data_2AII # _entry.id 2AII # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 2AII RCSB RCSB033934 WWPDB D_1000033934 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 2AIJ 'The same protein, C336S mutant, complexed with human Arylsulfatase derived CTPSR peptide' unspecified PDB 2AIK 'The same protein, C336S mutant, complexed with human Arylsulfatase derived LCTPSRA peptide' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 2AII _pdbx_database_status.recvd_initial_deposition_date 2005-07-29 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site PDBJ _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Roeser, D.' 1 'Rudolph, M.G.' 2 # _citation.id primary _citation.title 'A general binding mechanism for all human sulfatases by the formylglycine-generating enzyme' _citation.journal_abbrev Proc.Natl.Acad.Sci.Usa _citation.journal_volume 103 _citation.page_first 81 _citation.page_last 86 _citation.year 2006 _citation.journal_id_ASTM PNASA6 _citation.country US _citation.journal_id_ISSN 0027-8424 _citation.journal_id_CSD 0040 _citation.book_publisher ? _citation.pdbx_database_id_PubMed 16368756 _citation.pdbx_database_id_DOI 10.1073/pnas.0507592102 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Roeser, D.' 1 primary 'Preusser-Kunze, A.' 2 primary 'Schmidt, B.' 3 primary 'Gasow, K.' 4 primary 'Wittmann, J.G.' 5 primary 'Dierks, T.' 6 primary 'von Figura, K.' 7 primary 'Rudolph, M.G.' 8 # _cell.entry_id 2AII _cell.length_a 62.058 _cell.length_b 109.788 _cell.length_c 43.461 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 90.00 _cell.Z_PDB 4 _cell.pdbx_unique_axis ? _cell.length_a_esd ? _cell.length_b_esd ? _cell.length_c_esd ? _cell.angle_alpha_esd ? _cell.angle_beta_esd ? _cell.angle_gamma_esd ? # _symmetry.entry_id 2AII _symmetry.space_group_name_H-M 'P 21 21 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 18 _symmetry.space_group_name_Hall ? # loop_ _entity.id _entity.type _entity.src_method _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules _entity.pdbx_ec _entity.pdbx_mutation _entity.pdbx_fragment _entity.details 1 polymer man 'Sulfatase modifying factor 1' 32126.676 1 ? ? 'residues 86-371' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 4 non-polymer syn ACETAMIDE 59.067 1 ? ? ? ? 5 water nat water 18.015 523 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'FGE, C-ALPHA-FORMYLGLYCINE-GENERATING ENZYME' # _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 ;LAHSKMVPIPAGVFTMGTDDPQIKQDGEAPARRVTIDAFYMDAYEVSNTEFEKFVNSTGYLTEAEKFGDSFVFEGMLSEQ VKTNIQQAVAAAPWWLPVKGANWRHPEGPDSTILHRPDHPVLHVSWNDAVAYCTWAGKRLPTEAEWEYSCRGGLHNRLFP WGNKLQPKGQHYANIWQGEFPVTNTGEDGFQGTAPVDAFPPNGYGLYNIVGNAWEWTSDWWTVHHSVEETLNPKGPPSGK DRVKKGGSYMCHRSYCYRYRCAARSQNTPDSSASNLGFRCAADRLP ; _entity_poly.pdbx_seq_one_letter_code_can ;LAHSKMVPIPAGVFTMGTDDPQIKQDGEAPARRVTIDAFYMDAYEVSNTEFEKFVNSTGYLTEAEKFGDSFVFEGMLSEQ VKTNIQQAVAAAPWWLPVKGANWRHPEGPDSTILHRPDHPVLHVSWNDAVAYCTWAGKRLPTEAEWEYSCRGGLHNRLFP WGNKLQPKGQHYANIWQGEFPVTNTGEDGFQGTAPVDAFPPNGYGLYNIVGNAWEWTSDWWTVHHSVEETLNPKGPPSGK DRVKKGGSYMCHRSYCYRYRCAARSQNTPDSSASNLGFRCAADRLP ; _entity_poly.pdbx_strand_id X _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 LEU n 1 2 ALA n 1 3 HIS n 1 4 SER n 1 5 LYS n 1 6 MET n 1 7 VAL n 1 8 PRO n 1 9 ILE n 1 10 PRO n 1 11 ALA n 1 12 GLY n 1 13 VAL n 1 14 PHE n 1 15 THR n 1 16 MET n 1 17 GLY n 1 18 THR n 1 19 ASP n 1 20 ASP n 1 21 PRO n 1 22 GLN n 1 23 ILE n 1 24 LYS n 1 25 GLN n 1 26 ASP n 1 27 GLY n 1 28 GLU n 1 29 ALA n 1 30 PRO n 1 31 ALA n 1 32 ARG n 1 33 ARG n 1 34 VAL n 1 35 THR n 1 36 ILE n 1 37 ASP n 1 38 ALA n 1 39 PHE n 1 40 TYR n 1 41 MET n 1 42 ASP n 1 43 ALA n 1 44 TYR n 1 45 GLU n 1 46 VAL n 1 47 SER n 1 48 ASN n 1 49 THR n 1 50 GLU n 1 51 PHE n 1 52 GLU n 1 53 LYS n 1 54 PHE n 1 55 VAL n 1 56 ASN n 1 57 SER n 1 58 THR n 1 59 GLY n 1 60 TYR n 1 61 LEU n 1 62 THR n 1 63 GLU n 1 64 ALA n 1 65 GLU n 1 66 LYS n 1 67 PHE n 1 68 GLY n 1 69 ASP n 1 70 SER n 1 71 PHE n 1 72 VAL n 1 73 PHE n 1 74 GLU n 1 75 GLY n 1 76 MET n 1 77 LEU n 1 78 SER n 1 79 GLU n 1 80 GLN n 1 81 VAL n 1 82 LYS n 1 83 THR n 1 84 ASN n 1 85 ILE n 1 86 GLN n 1 87 GLN n 1 88 ALA n 1 89 VAL n 1 90 ALA n 1 91 ALA n 1 92 ALA n 1 93 PRO n 1 94 TRP n 1 95 TRP n 1 96 LEU n 1 97 PRO n 1 98 VAL n 1 99 LYS n 1 100 GLY n 1 101 ALA n 1 102 ASN n 1 103 TRP n 1 104 ARG n 1 105 HIS n 1 106 PRO n 1 107 GLU n 1 108 GLY n 1 109 PRO n 1 110 ASP n 1 111 SER n 1 112 THR n 1 113 ILE n 1 114 LEU n 1 115 HIS n 1 116 ARG n 1 117 PRO n 1 118 ASP n 1 119 HIS n 1 120 PRO n 1 121 VAL n 1 122 LEU n 1 123 HIS n 1 124 VAL n 1 125 SER n 1 126 TRP n 1 127 ASN n 1 128 ASP n 1 129 ALA n 1 130 VAL n 1 131 ALA n 1 132 TYR n 1 133 CYS n 1 134 THR n 1 135 TRP n 1 136 ALA n 1 137 GLY n 1 138 LYS n 1 139 ARG n 1 140 LEU n 1 141 PRO n 1 142 THR n 1 143 GLU n 1 144 ALA n 1 145 GLU n 1 146 TRP n 1 147 GLU n 1 148 TYR n 1 149 SER n 1 150 CYS n 1 151 ARG n 1 152 GLY n 1 153 GLY n 1 154 LEU n 1 155 HIS n 1 156 ASN n 1 157 ARG n 1 158 LEU n 1 159 PHE n 1 160 PRO n 1 161 TRP n 1 162 GLY n 1 163 ASN n 1 164 LYS n 1 165 LEU n 1 166 GLN n 1 167 PRO n 1 168 LYS n 1 169 GLY n 1 170 GLN n 1 171 HIS n 1 172 TYR n 1 173 ALA n 1 174 ASN n 1 175 ILE n 1 176 TRP n 1 177 GLN n 1 178 GLY n 1 179 GLU n 1 180 PHE n 1 181 PRO n 1 182 VAL n 1 183 THR n 1 184 ASN n 1 185 THR n 1 186 GLY n 1 187 GLU n 1 188 ASP n 1 189 GLY n 1 190 PHE n 1 191 GLN n 1 192 GLY n 1 193 THR n 1 194 ALA n 1 195 PRO n 1 196 VAL n 1 197 ASP n 1 198 ALA n 1 199 PHE n 1 200 PRO n 1 201 PRO n 1 202 ASN n 1 203 GLY n 1 204 TYR n 1 205 GLY n 1 206 LEU n 1 207 TYR n 1 208 ASN n 1 209 ILE n 1 210 VAL n 1 211 GLY n 1 212 ASN n 1 213 ALA n 1 214 TRP n 1 215 GLU n 1 216 TRP n 1 217 THR n 1 218 SER n 1 219 ASP n 1 220 TRP n 1 221 TRP n 1 222 THR n 1 223 VAL n 1 224 HIS n 1 225 HIS n 1 226 SER n 1 227 VAL n 1 228 GLU n 1 229 GLU n 1 230 THR n 1 231 LEU n 1 232 ASN n 1 233 PRO n 1 234 LYS n 1 235 GLY n 1 236 PRO n 1 237 PRO n 1 238 SER n 1 239 GLY n 1 240 LYS n 1 241 ASP n 1 242 ARG n 1 243 VAL n 1 244 LYS n 1 245 LYS n 1 246 GLY n 1 247 GLY n 1 248 SER n 1 249 TYR n 1 250 MET n 1 251 CYS n 1 252 HIS n 1 253 ARG n 1 254 SER n 1 255 TYR n 1 256 CYS n 1 257 TYR n 1 258 ARG n 1 259 TYR n 1 260 ARG n 1 261 CYS n 1 262 ALA n 1 263 ALA n 1 264 ARG n 1 265 SER n 1 266 GLN n 1 267 ASN n 1 268 THR n 1 269 PRO n 1 270 ASP n 1 271 SER n 1 272 SER n 1 273 ALA n 1 274 SER n 1 275 ASN n 1 276 LEU n 1 277 GLY n 1 278 PHE n 1 279 ARG n 1 280 CYS n 1 281 ALA n 1 282 ALA n 1 283 ASP n 1 284 ARG n 1 285 LEU n 1 286 PRO n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus Homo _entity_src_gen.pdbx_gene_src_gene ? _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name human _entity_src_gen.pdbx_host_org_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 9606 _entity_src_gen.host_org_genus Homo _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species ? _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain ? _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line HT1080 _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell 'fibrosarcoma cells' _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type ? _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name ? _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code SUMF1_HUMAN _struct_ref.pdbx_db_accession Q8NBK3 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;LAHSKMVPIPAGVFTMGTDDPQIKQDGEAPARRVTIDAFYMDAYEVSNTEFEKFVNSTGYLTEAEKFGDSFVFEGMLSEQ VKTNIQQAVAAAPWWLPVKGANWRHPEGPDSTILHRPDHPVLHVSWNDAVAYCTWAGKRLPTEAEWEYSCRGGLHNRLFP WGNKLQPKGQHYANIWQGEFPVTNTGEDGFQGTAPVDAFPPNGYGLYNIVGNAWEWTSDWWTVHHSVEETLNPKGPPSGK DRVKKGGSYMCHRSYCYRYRCAARSQNTPDSSASNLGFRCAADRLP ; _struct_ref.pdbx_align_begin 86 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 2AII _struct_ref_seq.pdbx_strand_id X _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 286 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession Q8NBK3 _struct_ref_seq.db_align_beg 86 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 371 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 86 _struct_ref_seq.pdbx_auth_seq_align_end 371 # 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 ACM non-polymer . ACETAMIDE ? 'C2 H5 N O' 59.067 ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 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 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 2AII _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.27 _exptl_crystal.density_percent_sol 45.75 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, SITTING DROP' _exptl_crystal_grow.temp 293 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8.5 _exptl_crystal_grow.pdbx_details 'PEG 4000, Calcium chloride, TRIS, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type MARRESEARCH _diffrn_detector.pdbx_collection_date 2005-01-28 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.5418 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type RIGAKU _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.5418 # _reflns.entry_id 2AII _reflns.observed_criterion_sigma_F ? _reflns.observed_criterion_sigma_I ? _reflns.d_resolution_high 1.54 _reflns.d_resolution_low 50.0 _reflns.number_all ? _reflns.number_obs 44155 _reflns.percent_possible_obs 98.5 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.045 _reflns.pdbx_netI_over_sigmaI 41.5 _reflns.B_iso_Wilson_estimate 14.19 _reflns.pdbx_redundancy 6.6 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # _reflns_shell.d_res_high 1.54 _reflns_shell.d_res_low 1.60 _reflns_shell.percent_possible_all 85.5 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.229 _reflns_shell.meanI_over_sigI_obs 4.9 _reflns_shell.pdbx_redundancy 3.7 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_ordinal 1 _reflns_shell.pdbx_diffrn_id 1 # _refine.entry_id 2AII _refine.ls_number_reflns_obs 41989 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F ? _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 43.48 _refine.ls_d_res_high 1.54 _refine.ls_percent_reflns_obs 99.03 _refine.ls_R_factor_obs 0.15163 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1504 _refine.ls_R_factor_R_free 0.17598 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 4.8 _refine.ls_number_reflns_R_free 2116 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.969 _refine.correlation_coeff_Fo_to_Fc_free 0.956 _refine.B_iso_mean 11.798 _refine.aniso_B[1][1] 0.15 _refine.aniso_B[2][2] 0.22 _refine.aniso_B[3][3] -0.37 _refine.aniso_B[1][2] 0.00 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details 'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' _refine.pdbx_starting_model 'PDB entry 1Y1E' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.073 _refine.pdbx_overall_ESU_R_Free 0.072 _refine.overall_SU_ML 0.043 _refine.overall_SU_B 1.166 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_overall_phase_error ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _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 2173 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 34 _refine_hist.number_atoms_solvent 523 _refine_hist.number_atoms_total 2730 _refine_hist.d_res_high 1.54 _refine_hist.d_res_low 43.48 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.010 0.021 ? 2454 'X-RAY DIFFRACTION' ? r_bond_other_d 0.002 0.020 ? 2029 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.306 1.933 ? 3360 'X-RAY DIFFRACTION' ? r_angle_other_deg 0.843 3.000 ? 4746 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.458 5.000 ? 300 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 33.195 23.689 ? 122 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 12.429 15.000 ? 354 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 16.184 15.000 ? 15 'X-RAY DIFFRACTION' ? r_chiral_restr 0.089 0.200 ? 334 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 2824 'X-RAY DIFFRACTION' ? r_gen_planes_other 0.002 0.020 ? 533 'X-RAY DIFFRACTION' ? r_nbd_refined 0.229 0.200 ? 531 'X-RAY DIFFRACTION' ? r_nbd_other 0.202 0.200 ? 2175 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.189 0.200 ? 1226 'X-RAY DIFFRACTION' ? r_nbtor_other 0.081 0.200 ? 1286 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.173 0.200 ? 419 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.027 0.200 ? 3 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.180 0.200 ? 12 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other 0.201 0.200 ? 49 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.199 0.200 ? 50 'X-RAY DIFFRACTION' ? r_symmetry_hbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_refined ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcbond_it 0.774 1.500 ? 1505 'X-RAY DIFFRACTION' ? r_mcbond_other 0.178 1.500 ? 587 'X-RAY DIFFRACTION' ? r_mcangle_it 1.238 2.000 ? 2377 'X-RAY DIFFRACTION' ? r_scbond_it 1.766 3.000 ? 1122 'X-RAY DIFFRACTION' ? r_scangle_it 2.688 4.500 ? 983 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.543 _refine_ls_shell.d_res_low 1.583 _refine_ls_shell.number_reflns_R_work 2691 _refine_ls_shell.R_factor_R_work 0.271 _refine_ls_shell.percent_reflns_obs 87.31 _refine_ls_shell.R_factor_R_free 0.323 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 137 _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 2AII _struct.title 'wild-type Formylglycine generating enzyme reacted with iodoacetamide' _struct.pdbx_descriptor 'Sulfatase modifying factor 1' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 2AII _struct_keywords.pdbx_keywords 'HYDROLASE ACTIVATOR,PROTEIN BINDING' _struct_keywords.text 'formylglycine, post-translational modification, endoplasmic reticulum, sulfatase, HYDROLASE ACTIVATOR, PROTEIN BINDING' # 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 3 ? F N N 4 ? G N N 5 ? # _struct_biol.id 1 _struct_biol.pdbx_parent_biol_id ? _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ILE A 23 ? GLY A 27 ? ILE X 108 GLY X 112 5 ? 5 HELX_P HELX_P2 2 SER A 47 ? GLY A 59 ? SER X 132 GLY X 144 1 ? 13 HELX_P HELX_P3 3 THR A 62 ? GLY A 68 ? THR X 147 GLY X 153 1 ? 7 HELX_P HELX_P4 4 GLY A 75 ? LEU A 77 ? GLY X 160 LEU X 162 5 ? 3 HELX_P HELX_P5 5 SER A 125 ? ALA A 136 ? SER X 210 ALA X 221 1 ? 12 HELX_P HELX_P6 6 THR A 142 ? GLY A 152 ? THR X 227 GLY X 237 1 ? 11 HELX_P HELX_P7 7 GLN A 166 ? GLN A 170 ? GLN X 251 GLN X 255 5 ? 5 # _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 133 SG ? ? ? 1_555 A CYS 280 SG ? ? X CYS 218 X CYS 365 1_555 ? ? ? ? ? ? ? 2.043 ? disulf2 disulf ? ? A CYS 150 SG ? ? ? 1_555 A CYS 261 SG ? ? X CYS 235 X CYS 346 1_555 ? ? ? ? ? ? ? 2.059 ? covale1 covale ? ? A ASN 56 ND2 ? ? ? 1_555 B NAG . C1 ? ? X ASN 141 X NAG 1 1_555 ? ? ? ? ? ? ? 1.439 ? covale2 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? X NAG 1 X NAG 2 1_555 ? ? ? ? ? ? ? 1.449 ? covale3 covale ? ? A CYS 251 SG ? ? ? 1_555 F ACM . C2 ? ? X CYS 336 X ACM 2001 1_555 ? ? ? ? ? ? ? 1.589 ? metalc1 metalc ? ? D CA . CA ? ? ? 1_555 A GLU 45 OE2 ? ? X CA 1001 X GLU 130 1_555 ? ? ? ? ? ? ? 2.325 ? metalc2 metalc ? ? D CA . CA ? ? ? 1_555 A GLY 211 O ? ? X CA 1001 X GLY 296 1_555 ? ? ? ? ? ? ? 2.357 ? metalc3 metalc ? ? D CA . CA ? ? ? 1_555 G HOH . O ? ? X CA 1001 X HOH 2002 1_555 ? ? ? ? ? ? ? 2.375 ? metalc4 metalc ? ? D CA . CA ? ? ? 1_555 A ALA 213 O ? ? X CA 1001 X ALA 298 1_555 ? ? ? ? ? ? ? 2.345 ? metalc5 metalc ? ? D CA . CA ? ? ? 1_555 A GLU 215 OE2 ? ? X CA 1001 X GLU 300 1_555 ? ? ? ? ? ? ? 2.344 ? metalc6 metalc ? ? D CA . CA ? ? ? 1_555 A ASN 208 O ? ? X CA 1001 X ASN 293 1_555 ? ? ? ? ? ? ? 2.331 ? metalc7 metalc ? ? E CA . CA ? ? ? 1_555 G HOH . O ? ? X CA 1002 X HOH 2015 1_555 ? ? ? ? ? ? ? 2.419 ? metalc8 metalc ? ? E CA . CA ? ? ? 1_555 G HOH . O ? ? X CA 1002 X HOH 2014 1_555 ? ? ? ? ? ? ? 2.403 ? metalc9 metalc ? ? E CA . CA ? ? ? 1_555 A ASN 174 OD1 ? ? X CA 1002 X ASN 259 1_555 ? ? ? ? ? ? ? 2.307 ? metalc10 metalc ? ? E CA . CA ? ? ? 1_555 A ASP 188 OD2 ? ? X CA 1002 X ASP 273 1_555 ? ? ? ? ? ? ? 2.463 ? metalc11 metalc ? ? E CA . CA ? ? ? 1_555 A ILE 175 O ? ? X CA 1002 X ILE 260 1_555 ? ? ? ? ? ? ? 2.339 ? metalc12 metalc ? ? E CA . CA ? ? ? 1_555 A PHE 190 O ? ? X CA 1002 X PHE 275 1_555 ? ? ? ? ? ? ? 2.328 ? metalc13 metalc ? ? E CA . CA ? ? ? 1_555 A ASP 188 OD1 ? ? X CA 1002 X ASP 273 1_555 ? ? ? ? ? ? ? 2.487 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ALA 29 A . ? ALA 114 X PRO 30 A ? PRO 115 X 1 -2.09 2 PHE 180 A . ? PHE 265 X PRO 181 A ? PRO 266 X 1 -1.72 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 3 ? B ? 3 ? C ? 2 ? D ? 2 ? E ? 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 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? parallel C 1 2 ? anti-parallel D 1 2 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? 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 MET A 6 ? ILE A 9 ? MET X 91 ILE X 94 A 2 PHE A 39 ? ASP A 42 ? PHE X 124 ASP X 127 A 3 ALA A 281 ? ALA A 282 ? ALA X 366 ALA X 367 B 1 GLY A 12 ? MET A 16 ? GLY X 97 MET X 101 B 2 ARG A 32 ? ILE A 36 ? ARG X 117 ILE X 121 B 3 THR A 230 ? LEU A 231 ? THR X 315 LEU X 316 C 1 ASP A 69 ? PHE A 73 ? ASP X 154 PHE X 158 C 2 TRP A 95 ? LYS A 99 ? TRP X 180 LYS X 184 D 1 GLY A 178 ? GLU A 179 ? GLY X 263 GLU X 264 D 2 THR A 183 ? ASN A 184 ? THR X 268 ASN X 269 E 1 SER A 265 ? ASN A 267 ? SER X 350 ASN X 352 E 2 ARG A 242 ? LYS A 245 ? ARG X 327 LYS X 330 E 3 TRP A 214 ? TRP A 220 ? TRP X 299 TRP X 305 E 4 LEU A 276 ? GLY A 277 ? LEU X 361 GLY X 362 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 N ILE A 9 ? N ILE X 94 O PHE A 39 ? O PHE X 124 A 2 3 N TYR A 40 ? N TYR X 125 O ALA A 282 ? O ALA X 367 B 1 2 N MET A 16 ? N MET X 101 O ARG A 32 ? O ARG X 117 B 2 3 N THR A 35 ? N THR X 120 O THR A 230 ? O THR X 315 C 1 2 N SER A 70 ? N SER X 155 O VAL A 98 ? O VAL X 183 D 1 2 N GLU A 179 ? N GLU X 264 O THR A 183 ? O THR X 268 E 1 2 O SER A 265 ? O SER X 350 N LYS A 244 ? N LYS X 329 E 2 3 O LYS A 245 ? O LYS X 330 N GLU A 215 ? N GLU X 300 E 3 4 N TRP A 214 ? N TRP X 299 O GLY A 277 ? O GLY X 362 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE NAG X 1' AC2 Software ? ? ? ? 1 'BINDING SITE FOR RESIDUE NAG X 2' AC3 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA X 1001' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA X 1002' AC5 Software ? ? ? ? 7 'BINDING SITE FOR RESIDUE ACM X 2001' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 NAG C . ? NAG X 2 . ? 1_555 ? 2 AC1 6 THR A 49 ? THR X 134 . ? 1_555 ? 3 AC1 6 GLU A 52 ? GLU X 137 . ? 1_555 ? 4 AC1 6 LYS A 53 ? LYS X 138 . ? 1_555 ? 5 AC1 6 ASN A 56 ? ASN X 141 . ? 1_555 ? 6 AC1 6 HOH G . ? HOH X 2230 . ? 1_555 ? 7 AC2 1 NAG B . ? NAG X 1 . ? 1_555 ? 8 AC3 6 GLU A 45 ? GLU X 130 . ? 1_555 ? 9 AC3 6 ASN A 208 ? ASN X 293 . ? 1_555 ? 10 AC3 6 GLY A 211 ? GLY X 296 . ? 1_555 ? 11 AC3 6 ALA A 213 ? ALA X 298 . ? 1_555 ? 12 AC3 6 GLU A 215 ? GLU X 300 . ? 1_555 ? 13 AC3 6 HOH G . ? HOH X 2002 . ? 1_555 ? 14 AC4 6 ASN A 174 ? ASN X 259 . ? 1_555 ? 15 AC4 6 ILE A 175 ? ILE X 260 . ? 1_555 ? 16 AC4 6 ASP A 188 ? ASP X 273 . ? 1_555 ? 17 AC4 6 PHE A 190 ? PHE X 275 . ? 1_555 ? 18 AC4 6 HOH G . ? HOH X 2014 . ? 1_555 ? 19 AC4 6 HOH G . ? HOH X 2015 . ? 1_555 ? 20 AC5 7 TRP A 214 ? TRP X 299 . ? 1_555 ? 21 AC5 7 SER A 248 ? SER X 333 . ? 1_555 ? 22 AC5 7 MET A 250 ? MET X 335 . ? 1_555 ? 23 AC5 7 CYS A 251 ? CYS X 336 . ? 1_555 ? 24 AC5 7 TYR A 255 ? TYR X 340 . ? 1_555 ? 25 AC5 7 CYS A 256 ? CYS X 341 . ? 1_555 ? 26 AC5 7 ASN A 275 ? ASN X 360 . ? 1_555 ? # _database_PDB_matrix.entry_id 2AII _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 2AII _atom_sites.fract_transf_matrix[1][1] 0.016114 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.000000 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.009108 _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] 0.023009 _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 CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . LEU A 1 1 ? 39.192 15.676 28.332 1.00 28.60 ? 86 LEU X N 1 ATOM 2 C CA . LEU A 1 1 ? 39.237 17.161 28.539 1.00 28.15 ? 86 LEU X CA 1 ATOM 3 C C . LEU A 1 1 ? 40.344 17.528 29.508 1.00 27.35 ? 86 LEU X C 1 ATOM 4 O O . LEU A 1 1 ? 40.542 16.859 30.533 1.00 28.49 ? 86 LEU X O 1 ATOM 5 C CB . LEU A 1 1 ? 37.885 17.688 29.062 1.00 28.28 ? 86 LEU X CB 1 ATOM 6 N N . ALA A 1 2 ? 41.073 18.587 29.172 1.00 25.62 ? 87 ALA X N 1 ATOM 7 C CA . ALA A 1 2 ? 42.068 19.162 30.067 1.00 23.94 ? 87 ALA X CA 1 ATOM 8 C C . ALA A 1 2 ? 41.826 20.671 30.098 1.00 22.06 ? 87 ALA X C 1 ATOM 9 O O . ALA A 1 2 ? 42.719 21.473 29.769 1.00 22.03 ? 87 ALA X O 1 ATOM 10 C CB . ALA A 1 2 ? 43.471 18.844 29.576 1.00 24.06 ? 87 ALA X CB 1 ATOM 11 N N . HIS A 1 3 ? 40.618 21.055 30.519 1.00 19.65 ? 88 HIS X N 1 ATOM 12 C CA . HIS A 1 3 ? 40.200 22.454 30.407 1.00 17.53 ? 88 HIS X CA 1 ATOM 13 C C . HIS A 1 3 ? 40.784 23.378 31.473 1.00 16.62 ? 88 HIS X C 1 ATOM 14 O O . HIS A 1 3 ? 40.432 24.543 31.510 1.00 17.34 ? 88 HIS X O 1 ATOM 15 C CB . HIS A 1 3 ? 38.664 22.617 30.298 1.00 17.05 ? 88 HIS X CB 1 ATOM 16 C CG . HIS A 1 3 ? 38.097 22.142 28.992 1.00 15.41 ? 88 HIS X CG 1 ATOM 17 N ND1 . HIS A 1 3 ? 36.764 21.820 28.832 1.00 14.01 ? 88 HIS X ND1 1 ATOM 18 C CD2 . HIS A 1 3 ? 38.681 21.922 27.789 1.00 15.67 ? 88 HIS X CD2 1 ATOM 19 C CE1 . HIS A 1 3 ? 36.554 21.418 27.591 1.00 14.39 ? 88 HIS X CE1 1 ATOM 20 N NE2 . HIS A 1 3 ? 37.703 21.461 26.937 1.00 15.13 ? 88 HIS X NE2 1 ATOM 21 N N A SER A 1 4 ? 41.674 22.878 32.332 0.70 15.88 ? 89 SER X N 1 ATOM 22 N N B SER A 1 4 ? 41.674 22.865 32.320 0.30 16.08 ? 89 SER X N 1 ATOM 23 C CA A SER A 1 4 ? 42.452 23.771 33.202 0.70 15.34 ? 89 SER X CA 1 ATOM 24 C CA B SER A 1 4 ? 42.443 23.712 33.231 0.30 15.57 ? 89 SER X CA 1 ATOM 25 C C A SER A 1 4 ? 43.927 23.784 32.826 0.70 14.66 ? 89 SER X C 1 ATOM 26 C C B SER A 1 4 ? 43.914 23.787 32.826 0.30 14.82 ? 89 SER X C 1 ATOM 27 O O A SER A 1 4 ? 44.751 24.297 33.575 0.70 15.38 ? 89 SER X O 1 ATOM 28 O O B SER A 1 4 ? 44.727 24.344 33.563 0.30 15.09 ? 89 SER X O 1 ATOM 29 C CB A SER A 1 4 ? 42.280 23.410 34.680 0.70 15.87 ? 89 SER X CB 1 ATOM 30 C CB B SER A 1 4 ? 42.328 23.196 34.665 0.30 15.84 ? 89 SER X CB 1 ATOM 31 O OG A SER A 1 4 ? 41.117 24.032 35.199 0.70 15.28 ? 89 SER X OG 1 ATOM 32 O OG B SER A 1 4 ? 42.646 21.821 34.732 0.30 16.42 ? 89 SER X OG 1 ATOM 33 N N . LYS A 1 5 ? 44.257 23.246 31.657 1.00 13.95 ? 90 LYS X N 1 ATOM 34 C CA . LYS A 1 5 ? 45.651 23.222 31.227 1.00 13.20 ? 90 LYS X CA 1 ATOM 35 C C . LYS A 1 5 ? 46.168 24.616 30.892 1.00 11.76 ? 90 LYS X C 1 ATOM 36 O O . LYS A 1 5 ? 45.433 25.497 30.431 1.00 10.12 ? 90 LYS X O 1 ATOM 37 C CB . LYS A 1 5 ? 45.864 22.294 30.049 1.00 13.19 ? 90 LYS X CB 1 ATOM 38 C CG . LYS A 1 5 ? 45.587 22.912 28.690 1.00 14.28 ? 90 LYS X CG 1 ATOM 39 C CD . LYS A 1 5 ? 45.656 21.896 27.573 1.00 16.47 ? 90 LYS X CD 1 ATOM 40 C CE . LYS A 1 5 ? 45.605 22.596 26.206 1.00 19.83 ? 90 LYS X CE 1 ATOM 41 N NZ . LYS A 1 5 ? 45.313 21.626 25.107 1.00 24.04 ? 90 LYS X NZ 1 ATOM 42 N N . MET A 1 6 ? 47.464 24.791 31.134 1.00 9.85 ? 91 MET X N 1 ATOM 43 C CA . MET A 1 6 ? 48.146 26.038 30.884 1.00 9.43 ? 91 MET X CA 1 ATOM 44 C C . MET A 1 6 ? 49.195 25.802 29.820 1.00 9.50 ? 91 MET X C 1 ATOM 45 O O . MET A 1 6 ? 49.682 24.665 29.643 1.00 10.21 ? 91 MET X O 1 ATOM 46 C CB . MET A 1 6 ? 48.809 26.560 32.163 1.00 9.33 ? 91 MET X CB 1 ATOM 47 C CG . MET A 1 6 ? 47.869 26.645 33.343 1.00 9.76 ? 91 MET X CG 1 ATOM 48 S SD . MET A 1 6 ? 48.589 27.592 34.699 1.00 10.50 ? 91 MET X SD 1 ATOM 49 C CE . MET A 1 6 ? 48.256 29.247 34.151 1.00 10.34 ? 91 MET X CE 1 ATOM 50 N N . VAL A 1 7 ? 49.513 26.872 29.101 1.00 8.16 ? 92 VAL X N 1 ATOM 51 C CA . VAL A 1 7 ? 50.593 26.847 28.115 1.00 8.58 ? 92 VAL X CA 1 ATOM 52 C C . VAL A 1 7 ? 51.685 27.825 28.548 1.00 7.47 ? 92 VAL X C 1 ATOM 53 O O . VAL A 1 7 ? 51.422 28.840 29.197 1.00 7.26 ? 92 VAL X O 1 ATOM 54 C CB . VAL A 1 7 ? 50.102 27.169 26.683 1.00 9.54 ? 92 VAL X CB 1 ATOM 55 C CG1 . VAL A 1 7 ? 49.109 26.128 26.252 1.00 10.18 ? 92 VAL X CG1 1 ATOM 56 C CG2 . VAL A 1 7 ? 49.508 28.552 26.591 1.00 11.06 ? 92 VAL X CG2 1 ATOM 57 N N . PRO A 1 8 ? 52.930 27.542 28.163 1.00 7.96 ? 93 PRO X N 1 ATOM 58 C CA . PRO A 1 8 ? 54.013 28.467 28.458 1.00 7.88 ? 93 PRO X CA 1 ATOM 59 C C . PRO A 1 8 ? 54.016 29.608 27.446 1.00 8.45 ? 93 PRO X C 1 ATOM 60 O O . PRO A 1 8 ? 54.149 29.365 26.235 1.00 9.01 ? 93 PRO X O 1 ATOM 61 C CB . PRO A 1 8 ? 55.266 27.589 28.320 1.00 8.06 ? 93 PRO X CB 1 ATOM 62 C CG . PRO A 1 8 ? 54.861 26.549 27.325 1.00 8.07 ? 93 PRO X CG 1 ATOM 63 C CD . PRO A 1 8 ? 53.391 26.311 27.507 1.00 8.47 ? 93 PRO X CD 1 ATOM 64 N N . ILE A 1 9 ? 53.898 30.831 27.940 1.00 7.94 ? 94 ILE X N 1 ATOM 65 C CA . ILE A 1 9 ? 53.995 32.027 27.117 1.00 8.57 ? 94 ILE X CA 1 ATOM 66 C C . ILE A 1 9 ? 55.444 32.470 27.183 1.00 9.21 ? 94 ILE X C 1 ATOM 67 O O . ILE A 1 9 ? 55.978 32.700 28.263 1.00 10.16 ? 94 ILE X O 1 ATOM 68 C CB . ILE A 1 9 ? 53.065 33.142 27.630 1.00 8.58 ? 94 ILE X CB 1 ATOM 69 C CG1 . ILE A 1 9 ? 51.618 32.638 27.718 1.00 8.90 ? 94 ILE X CG1 1 ATOM 70 C CG2 . ILE A 1 9 ? 53.160 34.374 26.760 1.00 9.29 ? 94 ILE X CG2 1 ATOM 71 C CD1 . ILE A 1 9 ? 50.990 32.216 26.397 1.00 9.44 ? 94 ILE X CD1 1 ATOM 72 N N . PRO A 1 10 ? 56.099 32.554 26.016 1.00 9.75 ? 95 PRO X N 1 ATOM 73 C CA . PRO A 1 10 ? 57.534 32.808 26.056 1.00 9.65 ? 95 PRO X CA 1 ATOM 74 C C . PRO A 1 10 ? 57.870 34.233 26.463 1.00 10.90 ? 95 PRO X C 1 ATOM 75 O O . PRO A 1 10 ? 57.094 35.133 26.215 1.00 10.90 ? 95 PRO X O 1 ATOM 76 C CB . PRO A 1 10 ? 57.955 32.556 24.600 1.00 10.25 ? 95 PRO X CB 1 ATOM 77 C CG . PRO A 1 10 ? 56.739 32.902 23.820 1.00 10.19 ? 95 PRO X CG 1 ATOM 78 C CD . PRO A 1 10 ? 55.602 32.396 24.645 1.00 9.34 ? 95 PRO X CD 1 ATOM 79 N N . ALA A 1 11 ? 59.051 34.424 27.031 1.00 11.05 ? 96 ALA X N 1 ATOM 80 C CA . ALA A 1 11 ? 59.569 35.757 27.298 1.00 12.02 ? 96 ALA X CA 1 ATOM 81 C C . ALA A 1 11 ? 59.661 36.533 25.999 1.00 12.00 ? 96 ALA X C 1 ATOM 82 O O . ALA A 1 11 ? 60.025 35.983 24.956 1.00 13.24 ? 96 ALA X O 1 ATOM 83 C CB . ALA A 1 11 ? 60.947 35.641 27.932 1.00 12.46 ? 96 ALA X CB 1 ATOM 84 N N . GLY A 1 12 ? 59.341 37.818 26.039 1.00 12.41 ? 97 GLY X N 1 ATOM 85 C CA . GLY A 1 12 ? 59.509 38.630 24.859 1.00 12.53 ? 97 GLY X CA 1 ATOM 86 C C . GLY A 1 12 ? 59.248 40.090 25.095 1.00 12.93 ? 97 GLY X C 1 ATOM 87 O O . GLY A 1 12 ? 58.871 40.492 26.189 1.00 13.92 ? 97 GLY X O 1 ATOM 88 N N . VAL A 1 13 ? 59.439 40.849 24.032 1.00 13.31 ? 98 VAL X N 1 ATOM 89 C CA . VAL A 1 13 ? 59.093 42.267 23.965 1.00 13.45 ? 98 VAL X CA 1 ATOM 90 C C . VAL A 1 13 ? 58.053 42.414 22.862 1.00 12.69 ? 98 VAL X C 1 ATOM 91 O O . VAL A 1 13 ? 58.147 41.796 21.795 1.00 14.16 ? 98 VAL X O 1 ATOM 92 C CB . VAL A 1 13 ? 60.325 43.156 23.639 1.00 13.79 ? 98 VAL X CB 1 ATOM 93 C CG1 . VAL A 1 13 ? 59.977 44.619 23.778 1.00 15.34 ? 98 VAL X CG1 1 ATOM 94 C CG2 . VAL A 1 13 ? 61.464 42.836 24.540 1.00 15.23 ? 98 VAL X CG2 1 ATOM 95 N N . PHE A 1 14 ? 57.042 43.237 23.110 1.00 11.94 ? 99 PHE X N 1 ATOM 96 C CA . PHE A 1 14 ? 55.968 43.402 22.131 1.00 12.06 ? 99 PHE X CA 1 ATOM 97 C C . PHE A 1 14 ? 55.439 44.805 22.137 1.00 12.32 ? 99 PHE X C 1 ATOM 98 O O . PHE A 1 14 ? 55.724 45.564 23.052 1.00 13.04 ? 99 PHE X O 1 ATOM 99 C CB . PHE A 1 14 ? 54.834 42.387 22.378 1.00 11.56 ? 99 PHE X CB 1 ATOM 100 C CG . PHE A 1 14 ? 53.837 42.812 23.422 1.00 10.61 ? 99 PHE X CG 1 ATOM 101 C CD1 . PHE A 1 14 ? 54.156 42.786 24.758 1.00 10.78 ? 99 PHE X CD1 1 ATOM 102 C CD2 . PHE A 1 14 ? 52.550 43.171 23.050 1.00 11.13 ? 99 PHE X CD2 1 ATOM 103 C CE1 . PHE A 1 14 ? 53.219 43.165 25.725 1.00 10.38 ? 99 PHE X CE1 1 ATOM 104 C CE2 . PHE A 1 14 ? 51.619 43.532 24.005 1.00 10.25 ? 99 PHE X CE2 1 ATOM 105 C CZ . PHE A 1 14 ? 51.964 43.537 25.335 1.00 10.78 ? 99 PHE X CZ 1 ATOM 106 N N . THR A 1 15 ? 54.666 45.142 21.110 1.00 12.36 ? 100 THR X N 1 ATOM 107 C CA . THR A 1 15 ? 54.044 46.441 21.016 1.00 12.87 ? 100 THR X CA 1 ATOM 108 C C . THR A 1 15 ? 52.627 46.294 21.559 1.00 12.62 ? 100 THR X C 1 ATOM 109 O O . THR A 1 15 ? 51.813 45.567 20.992 1.00 12.65 ? 100 THR X O 1 ATOM 110 C CB . THR A 1 15 ? 54.063 46.964 19.572 1.00 13.39 ? 100 THR X CB 1 ATOM 111 O OG1 . THR A 1 15 ? 55.424 47.192 19.180 1.00 14.90 ? 100 THR X OG1 1 ATOM 112 C CG2 . THR A 1 15 ? 53.291 48.259 19.453 1.00 15.33 ? 100 THR X CG2 1 ATOM 113 N N . MET A 1 16 ? 52.373 46.967 22.676 1.00 11.80 ? 101 MET X N 1 ATOM 114 C CA . MET A 1 16 ? 51.065 47.003 23.299 1.00 11.96 ? 101 MET X CA 1 ATOM 115 C C . MET A 1 16 ? 50.341 48.231 22.792 1.00 11.61 ? 101 MET X C 1 ATOM 116 O O . MET A 1 16 ? 50.969 49.278 22.584 1.00 12.00 ? 101 MET X O 1 ATOM 117 C CB . MET A 1 16 ? 51.210 47.111 24.810 1.00 11.23 ? 101 MET X CB 1 ATOM 118 C CG . MET A 1 16 ? 49.901 47.091 25.540 1.00 12.74 ? 101 MET X CG 1 ATOM 119 S SD . MET A 1 16 ? 50.140 46.800 27.276 1.00 11.92 ? 101 MET X SD 1 ATOM 120 C CE . MET A 1 16 ? 48.438 46.652 27.808 1.00 13.13 ? 101 MET X CE 1 ATOM 121 N N . GLY A 1 17 ? 49.032 48.123 22.602 1.00 10.92 ? 102 GLY X N 1 ATOM 122 C CA . GLY A 1 17 ? 48.254 49.210 22.026 1.00 10.98 ? 102 GLY X CA 1 ATOM 123 C C . GLY A 1 17 ? 48.499 49.366 20.543 1.00 11.20 ? 102 GLY X C 1 ATOM 124 O O . GLY A 1 17 ? 49.017 48.457 19.877 1.00 11.43 ? 102 GLY X O 1 ATOM 125 N N . THR A 1 18 ? 48.104 50.520 20.006 1.00 12.16 ? 103 THR X N 1 ATOM 126 C CA . THR A 1 18 ? 48.227 50.784 18.584 1.00 13.33 ? 103 THR X CA 1 ATOM 127 C C . THR A 1 18 ? 48.291 52.282 18.307 1.00 13.82 ? 103 THR X C 1 ATOM 128 O O . THR A 1 18 ? 47.641 53.068 18.984 1.00 14.20 ? 103 THR X O 1 ATOM 129 C CB . THR A 1 18 ? 47.057 50.162 17.799 1.00 13.24 ? 103 THR X CB 1 ATOM 130 O OG1 . THR A 1 18 ? 47.145 50.546 16.422 1.00 14.50 ? 103 THR X OG1 1 ATOM 131 C CG2 . THR A 1 18 ? 45.727 50.587 18.346 1.00 14.03 ? 103 THR X CG2 1 ATOM 132 N N . ASP A 1 19 ? 49.069 52.666 17.294 1.00 14.74 ? 104 ASP X N 1 ATOM 133 C CA . ASP A 1 19 ? 49.103 54.073 16.878 1.00 15.94 ? 104 ASP X CA 1 ATOM 134 C C . ASP A 1 19 ? 48.034 54.347 15.822 1.00 16.39 ? 104 ASP X C 1 ATOM 135 O O . ASP A 1 19 ? 47.942 55.470 15.295 1.00 17.07 ? 104 ASP X O 1 ATOM 136 C CB . ASP A 1 19 ? 50.500 54.463 16.395 1.00 16.46 ? 104 ASP X CB 1 ATOM 137 C CG . ASP A 1 19 ? 51.472 54.703 17.552 1.00 17.61 ? 104 ASP X CG 1 ATOM 138 O OD1 . ASP A 1 19 ? 51.031 55.078 18.672 1.00 19.90 ? 104 ASP X OD1 1 ATOM 139 O OD2 . ASP A 1 19 ? 52.692 54.522 17.334 1.00 23.01 ? 104 ASP X OD2 1 ATOM 140 N N . ASP A 1 20 ? 47.214 53.331 15.537 1.00 16.23 ? 105 ASP X N 1 ATOM 141 C CA . ASP A 1 20 ? 46.037 53.452 14.684 1.00 16.74 ? 105 ASP X CA 1 ATOM 142 C C . ASP A 1 20 ? 44.797 53.023 15.481 1.00 16.06 ? 105 ASP X C 1 ATOM 143 O O . ASP A 1 20 ? 44.092 52.078 15.119 1.00 15.77 ? 105 ASP X O 1 ATOM 144 C CB . ASP A 1 20 ? 46.199 52.614 13.417 1.00 17.53 ? 105 ASP X CB 1 ATOM 145 C CG . ASP A 1 20 ? 45.135 52.916 12.383 1.00 20.24 ? 105 ASP X CG 1 ATOM 146 O OD1 . ASP A 1 20 ? 44.951 52.096 11.458 1.00 25.47 ? 105 ASP X OD1 1 ATOM 147 O OD2 . ASP A 1 20 ? 44.469 53.965 12.502 1.00 21.81 ? 105 ASP X OD2 1 ATOM 148 N N . PRO A 1 21 ? 44.517 53.738 16.577 1.00 14.76 ? 106 PRO X N 1 ATOM 149 C CA . PRO A 1 21 ? 43.408 53.337 17.432 1.00 14.56 ? 106 PRO X CA 1 ATOM 150 C C . PRO A 1 21 ? 42.083 53.380 16.698 1.00 14.82 ? 106 PRO X C 1 ATOM 151 O O . PRO A 1 21 ? 41.850 54.278 15.876 1.00 15.79 ? 106 PRO X O 1 ATOM 152 C CB . PRO A 1 21 ? 43.432 54.374 18.543 1.00 14.21 ? 106 PRO X CB 1 ATOM 153 C CG . PRO A 1 21 ? 44.099 55.575 17.907 1.00 14.67 ? 106 PRO X CG 1 ATOM 154 C CD . PRO A 1 21 ? 45.166 54.962 17.083 1.00 15.53 ? 106 PRO X CD 1 ATOM 155 N N . GLN A 1 22 ? 41.230 52.401 16.980 1.00 14.99 ? 107 GLN X N 1 ATOM 156 C CA . GLN A 1 22 ? 39.898 52.352 16.400 1.00 15.29 ? 107 GLN X CA 1 ATOM 157 C C . GLN A 1 22 ? 38.832 52.902 17.336 1.00 15.80 ? 107 GLN X C 1 ATOM 158 O O . GLN A 1 22 ? 37.822 53.417 16.879 1.00 17.34 ? 107 GLN X O 1 ATOM 159 C CB . GLN A 1 22 ? 39.552 50.922 16.008 1.00 15.40 ? 107 GLN X CB 1 ATOM 160 C CG . GLN A 1 22 ? 40.533 50.341 15.006 1.00 15.98 ? 107 GLN X CG 1 ATOM 161 C CD . GLN A 1 22 ? 40.527 51.120 13.716 1.00 17.02 ? 107 GLN X CD 1 ATOM 162 O OE1 . GLN A 1 22 ? 39.521 51.135 13.018 1.00 18.99 ? 107 GLN X OE1 1 ATOM 163 N NE2 . GLN A 1 22 ? 41.636 51.809 13.412 1.00 19.42 ? 107 GLN X NE2 1 ATOM 164 N N . ILE A 1 23 ? 39.034 52.756 18.645 1.00 15.07 ? 108 ILE X N 1 ATOM 165 C CA . ILE A 1 23 ? 38.149 53.379 19.647 1.00 14.68 ? 108 ILE X CA 1 ATOM 166 C C . ILE A 1 23 ? 39.043 54.263 20.501 1.00 15.18 ? 108 ILE X C 1 ATOM 167 O O . ILE A 1 23 ? 39.547 53.851 21.535 1.00 14.28 ? 108 ILE X O 1 ATOM 168 C CB . ILE A 1 23 ? 37.374 52.345 20.485 1.00 15.12 ? 108 ILE X CB 1 ATOM 169 C CG1 . ILE A 1 23 ? 36.686 51.331 19.561 1.00 14.82 ? 108 ILE X CG1 1 ATOM 170 C CG2 . ILE A 1 23 ? 36.329 53.024 21.379 1.00 15.23 ? 108 ILE X CG2 1 ATOM 171 C CD1 . ILE A 1 23 ? 36.058 50.187 20.289 1.00 15.24 ? 108 ILE X CD1 1 ATOM 172 N N . LYS A 1 24 ? 39.258 55.489 20.030 1.00 15.59 ? 109 LYS X N 1 ATOM 173 C CA . LYS A 1 24 ? 40.240 56.376 20.649 1.00 16.16 ? 109 LYS X CA 1 ATOM 174 C C . LYS A 1 24 ? 39.938 56.680 22.109 1.00 15.31 ? 109 LYS X C 1 ATOM 175 O O . LYS A 1 24 ? 40.861 56.783 22.923 1.00 14.58 ? 109 LYS X O 1 ATOM 176 C CB . LYS A 1 24 ? 40.348 57.682 19.854 1.00 17.18 ? 109 LYS X CB 1 ATOM 177 C CG . LYS A 1 24 ? 41.057 57.494 18.523 1.00 20.30 ? 109 LYS X CG 1 ATOM 178 C CD . LYS A 1 24 ? 40.706 58.600 17.538 1.00 24.58 ? 109 LYS X CD 1 ATOM 179 C CE . LYS A 1 24 ? 41.324 58.353 16.161 1.00 26.06 ? 109 LYS X CE 1 ATOM 180 N NZ . LYS A 1 24 ? 40.575 59.066 15.079 1.00 28.65 ? 109 LYS X NZ 1 ATOM 181 N N . GLN A 1 25 ? 38.658 56.793 22.445 1.00 14.42 ? 110 GLN X N 1 ATOM 182 C CA . GLN A 1 25 ? 38.276 57.070 23.843 1.00 15.12 ? 110 GLN X CA 1 ATOM 183 C C . GLN A 1 25 ? 38.763 56.017 24.840 1.00 13.85 ? 110 GLN X C 1 ATOM 184 O O . GLN A 1 25 ? 38.902 56.306 26.027 1.00 12.60 ? 110 GLN X O 1 ATOM 185 C CB A GLN A 1 25 ? 36.753 57.202 23.944 0.50 15.22 ? 110 GLN X CB 1 ATOM 186 C CB B GLN A 1 25 ? 36.769 57.311 24.020 0.50 15.23 ? 110 GLN X CB 1 ATOM 187 C CG A GLN A 1 25 ? 36.251 57.752 25.262 0.50 17.43 ? 110 GLN X CG 1 ATOM 188 C CG B GLN A 1 25 ? 35.841 56.339 23.305 0.50 17.43 ? 110 GLN X CG 1 ATOM 189 C CD A GLN A 1 25 ? 34.738 57.916 25.311 0.50 18.03 ? 110 GLN X CD 1 ATOM 190 C CD B GLN A 1 25 ? 35.570 56.724 21.854 0.50 18.92 ? 110 GLN X CD 1 ATOM 191 O OE1 A GLN A 1 25 ? 34.002 57.270 24.556 0.50 22.82 ? 110 GLN X OE1 1 ATOM 192 O OE1 B GLN A 1 25 ? 36.217 57.616 21.307 0.50 23.08 ? 110 GLN X OE1 1 ATOM 193 N NE2 A GLN A 1 25 ? 34.267 58.759 26.225 0.50 21.54 ? 110 GLN X NE2 1 ATOM 194 N NE2 B GLN A 1 25 ? 34.611 56.052 21.227 0.50 23.03 ? 110 GLN X NE2 1 ATOM 195 N N . ASP A 1 26 ? 39.005 54.795 24.374 1.00 12.78 ? 111 ASP X N 1 ATOM 196 C CA . ASP A 1 26 ? 39.419 53.707 25.250 1.00 12.58 ? 111 ASP X CA 1 ATOM 197 C C . ASP A 1 26 ? 40.919 53.644 25.500 1.00 11.89 ? 111 ASP X C 1 ATOM 198 O O . ASP A 1 26 ? 41.384 52.712 26.160 1.00 11.99 ? 111 ASP X O 1 ATOM 199 C CB . ASP A 1 26 ? 38.996 52.361 24.662 1.00 12.23 ? 111 ASP X CB 1 ATOM 200 C CG . ASP A 1 26 ? 37.511 52.108 24.752 1.00 13.58 ? 111 ASP X CG 1 ATOM 201 O OD1 . ASP A 1 26 ? 36.801 52.783 25.545 1.00 15.21 ? 111 ASP X OD1 1 ATOM 202 O OD2 . ASP A 1 26 ? 37.071 51.203 24.020 1.00 13.17 ? 111 ASP X OD2 1 ATOM 203 N N . GLY A 1 27 ? 41.683 54.615 25.012 1.00 11.24 ? 112 GLY X N 1 ATOM 204 C CA . GLY A 1 27 ? 43.112 54.598 25.252 1.00 10.85 ? 112 GLY X CA 1 ATOM 205 C C . GLY A 1 27 ? 43.805 53.397 24.636 1.00 11.38 ? 112 GLY X C 1 ATOM 206 O O . GLY A 1 27 ? 44.681 52.798 25.255 1.00 10.38 ? 112 GLY X O 1 ATOM 207 N N . GLU A 1 28 ? 43.434 53.090 23.401 1.00 11.60 ? 113 GLU X N 1 ATOM 208 C CA . GLU A 1 28 ? 44.142 52.077 22.614 1.00 11.49 ? 113 GLU X CA 1 ATOM 209 C C . GLU A 1 28 ? 45.526 52.550 22.211 1.00 12.45 ? 113 GLU X C 1 ATOM 210 O O . GLU A 1 28 ? 46.413 51.729 21.939 1.00 11.73 ? 113 GLU X O 1 ATOM 211 C CB . GLU A 1 28 ? 43.331 51.702 21.370 1.00 11.97 ? 113 GLU X CB 1 ATOM 212 C CG . GLU A 1 28 ? 42.040 51.002 21.729 1.00 11.60 ? 113 GLU X CG 1 ATOM 213 C CD . GLU A 1 28 ? 41.183 50.646 20.532 1.00 11.11 ? 113 GLU X CD 1 ATOM 214 O OE1 . GLU A 1 28 ? 41.568 50.954 19.383 1.00 12.22 ? 113 GLU X OE1 1 ATOM 215 O OE2 . GLU A 1 28 ? 40.100 50.076 20.742 1.00 10.43 ? 113 GLU X OE2 1 ATOM 216 N N . ALA A 1 29 ? 45.687 53.874 22.145 1.00 12.71 ? 114 ALA X N 1 ATOM 217 C CA . ALA A 1 29 ? 46.955 54.510 21.809 1.00 13.82 ? 114 ALA X CA 1 ATOM 218 C C . ALA A 1 29 ? 47.534 55.114 23.065 1.00 14.85 ? 114 ALA X C 1 ATOM 219 O O . ALA A 1 29 ? 46.791 55.419 24.011 1.00 15.84 ? 114 ALA X O 1 ATOM 220 C CB . ALA A 1 29 ? 46.722 55.599 20.775 1.00 14.07 ? 114 ALA X CB 1 ATOM 221 N N . PRO A 1 30 ? 48.849 55.356 23.076 1.00 15.98 ? 115 PRO X N 1 ATOM 222 C CA . PRO A 1 30 ? 49.804 55.063 22.021 1.00 16.18 ? 115 PRO X CA 1 ATOM 223 C C . PRO A 1 30 ? 50.347 53.641 22.062 1.00 16.13 ? 115 PRO X C 1 ATOM 224 O O . PRO A 1 30 ? 50.321 52.998 23.109 1.00 17.11 ? 115 PRO X O 1 ATOM 225 C CB . PRO A 1 30 ? 50.944 56.034 22.337 1.00 16.19 ? 115 PRO X CB 1 ATOM 226 C CG . PRO A 1 30 ? 50.944 56.106 23.799 1.00 16.46 ? 115 PRO X CG 1 ATOM 227 C CD . PRO A 1 30 ? 49.493 56.034 24.213 1.00 16.96 ? 115 PRO X CD 1 ATOM 228 N N . ALA A 1 31 ? 50.847 53.181 20.925 1.00 15.60 ? 116 ALA X N 1 ATOM 229 C CA . ALA A 1 31 ? 51.667 51.981 20.871 1.00 15.70 ? 116 ALA X CA 1 ATOM 230 C C . ALA A 1 31 ? 52.872 52.168 21.772 1.00 16.11 ? 116 ALA X C 1 ATOM 231 O O . ALA A 1 31 ? 53.494 53.238 21.785 1.00 16.95 ? 116 ALA X O 1 ATOM 232 C CB . ALA A 1 31 ? 52.122 51.709 19.474 1.00 15.51 ? 116 ALA X CB 1 ATOM 233 N N . ARG A 1 32 ? 53.211 51.129 22.521 1.00 15.73 ? 117 ARG X N 1 ATOM 234 C CA . ARG A 1 32 ? 54.343 51.189 23.438 1.00 15.63 ? 117 ARG X CA 1 ATOM 235 C C . ARG A 1 32 ? 54.996 49.824 23.560 1.00 15.22 ? 117 ARG X C 1 ATOM 236 O O . ARG A 1 32 ? 54.320 48.801 23.541 1.00 14.46 ? 117 ARG X O 1 ATOM 237 C CB . ARG A 1 32 ? 53.908 51.697 24.807 1.00 15.95 ? 117 ARG X CB 1 ATOM 238 C CG . ARG A 1 32 ? 52.780 50.877 25.455 1.00 17.09 ? 117 ARG X CG 1 ATOM 239 C CD . ARG A 1 32 ? 51.797 51.766 26.166 1.00 17.76 ? 117 ARG X CD 1 ATOM 240 N NE . ARG A 1 32 ? 50.736 51.049 26.877 1.00 15.50 ? 117 ARG X NE 1 ATOM 241 C CZ . ARG A 1 32 ? 49.502 50.871 26.417 1.00 14.88 ? 117 ARG X CZ 1 ATOM 242 N NH1 . ARG A 1 32 ? 49.148 51.341 25.224 1.00 13.87 ? 117 ARG X NH1 1 ATOM 243 N NH2 . ARG A 1 32 ? 48.616 50.226 27.172 1.00 15.05 ? 117 ARG X NH2 1 ATOM 244 N N . ARG A 1 33 ? 56.317 49.817 23.670 1.00 15.02 ? 118 ARG X N 1 ATOM 245 C CA . ARG A 1 33 ? 57.073 48.579 23.767 1.00 14.87 ? 118 ARG X CA 1 ATOM 246 C C . ARG A 1 33 ? 57.132 48.099 25.213 1.00 14.62 ? 118 ARG X C 1 ATOM 247 O O . ARG A 1 33 ? 57.520 48.830 26.123 1.00 16.03 ? 118 ARG X O 1 ATOM 248 C CB . ARG A 1 33 ? 58.480 48.771 23.201 1.00 15.58 ? 118 ARG X CB 1 ATOM 249 C CG . ARG A 1 33 ? 58.522 49.120 21.727 1.00 17.05 ? 118 ARG X CG 1 ATOM 250 C CD . ARG A 1 33 ? 58.074 47.971 20.831 1.00 19.61 ? 118 ARG X CD 1 ATOM 251 N NE . ARG A 1 33 ? 59.052 46.886 20.779 1.00 21.10 ? 118 ARG X NE 1 ATOM 252 C CZ . ARG A 1 33 ? 58.855 45.721 20.155 1.00 21.16 ? 118 ARG X CZ 1 ATOM 253 N NH1 . ARG A 1 33 ? 57.714 45.467 19.532 1.00 21.48 ? 118 ARG X NH1 1 ATOM 254 N NH2 . ARG A 1 33 ? 59.808 44.795 20.157 1.00 23.43 ? 118 ARG X NH2 1 ATOM 255 N N . VAL A 1 34 ? 56.741 46.846 25.415 1.00 13.36 ? 119 VAL X N 1 ATOM 256 C CA . VAL A 1 34 ? 56.599 46.260 26.733 1.00 12.66 ? 119 VAL X CA 1 ATOM 257 C C . VAL A 1 34 ? 57.318 44.933 26.763 1.00 12.66 ? 119 VAL X C 1 ATOM 258 O O . VAL A 1 34 ? 57.172 44.138 25.834 1.00 12.70 ? 119 VAL X O 1 ATOM 259 C CB . VAL A 1 34 ? 55.086 46.026 27.058 1.00 12.97 ? 119 VAL X CB 1 ATOM 260 C CG1 . VAL A 1 34 ? 54.917 45.340 28.403 1.00 12.95 ? 119 VAL X CG1 1 ATOM 261 C CG2 . VAL A 1 34 ? 54.307 47.355 27.012 1.00 13.76 ? 119 VAL X CG2 1 ATOM 262 N N . THR A 1 35 ? 58.114 44.719 27.811 1.00 12.12 ? 120 THR X N 1 ATOM 263 C CA . THR A 1 35 ? 58.835 43.477 28.017 1.00 12.68 ? 120 THR X CA 1 ATOM 264 C C . THR A 1 35 ? 58.084 42.638 29.043 1.00 12.09 ? 120 THR X C 1 ATOM 265 O O . THR A 1 35 ? 57.703 43.145 30.107 1.00 12.17 ? 120 THR X O 1 ATOM 266 C CB . THR A 1 35 ? 60.258 43.750 28.515 1.00 13.52 ? 120 THR X CB 1 ATOM 267 O OG1 . THR A 1 35 ? 60.929 44.573 27.549 1.00 14.47 ? 120 THR X OG1 1 ATOM 268 C CG2 . THR A 1 35 ? 61.017 42.448 28.679 1.00 13.81 ? 120 THR X CG2 1 ATOM 269 N N . ILE A 1 36 ? 57.881 41.357 28.716 1.00 11.56 ? 121 ILE X N 1 ATOM 270 C CA . ILE A 1 36 ? 57.141 40.422 29.540 1.00 11.67 ? 121 ILE X CA 1 ATOM 271 C C . ILE A 1 36 ? 58.015 39.199 29.807 1.00 11.34 ? 121 ILE X C 1 ATOM 272 O O . ILE A 1 36 ? 58.557 38.609 28.875 1.00 11.79 ? 121 ILE X O 1 ATOM 273 C CB . ILE A 1 36 ? 55.879 39.948 28.777 1.00 11.97 ? 121 ILE X CB 1 ATOM 274 C CG1 . ILE A 1 36 ? 54.909 41.106 28.508 1.00 12.64 ? 121 ILE X CG1 1 ATOM 275 C CG2 . ILE A 1 36 ? 55.157 38.833 29.533 1.00 12.50 ? 121 ILE X CG2 1 ATOM 276 C CD1 . ILE A 1 36 ? 54.307 41.739 29.740 1.00 12.53 ? 121 ILE X CD1 1 ATOM 277 N N . ASP A 1 37 ? 58.144 38.832 31.077 1.00 12.12 ? 122 ASP X N 1 ATOM 278 C CA . ASP A 1 37 ? 58.886 37.635 31.460 1.00 12.38 ? 122 ASP X CA 1 ATOM 279 C C . ASP A 1 37 ? 58.051 36.400 31.144 1.00 11.51 ? 122 ASP X C 1 ATOM 280 O O . ASP A 1 37 ? 56.818 36.455 31.154 1.00 11.07 ? 122 ASP X O 1 ATOM 281 C CB . ASP A 1 37 ? 59.204 37.656 32.954 1.00 12.88 ? 122 ASP X CB 1 ATOM 282 C CG . ASP A 1 37 ? 60.297 38.674 33.331 1.00 17.59 ? 122 ASP X CG 1 ATOM 283 O OD1 . ASP A 1 37 ? 61.005 39.164 32.435 1.00 25.02 ? 122 ASP X OD1 1 ATOM 284 O OD2 . ASP A 1 37 ? 60.442 38.944 34.536 1.00 22.04 ? 122 ASP X OD2 1 ATOM 285 N N . ALA A 1 38 ? 58.726 35.285 30.870 1.00 11.07 ? 123 ALA X N 1 ATOM 286 C CA . ALA A 1 38 ? 58.029 34.032 30.619 1.00 10.22 ? 123 ALA X CA 1 ATOM 287 C C . ALA A 1 38 ? 57.072 33.717 31.765 1.00 10.26 ? 123 ALA X C 1 ATOM 288 O O . ALA A 1 38 ? 57.400 33.906 32.941 1.00 11.47 ? 123 ALA X O 1 ATOM 289 C CB . ALA A 1 38 ? 59.025 32.890 30.447 1.00 10.23 ? 123 ALA X CB 1 ATOM 290 N N . PHE A 1 39 ? 55.900 33.204 31.418 1.00 9.51 ? 124 PHE X N 1 ATOM 291 C CA . PHE A 1 39 ? 54.904 32.814 32.413 1.00 8.96 ? 124 PHE X CA 1 ATOM 292 C C . PHE A 1 39 ? 53.941 31.814 31.764 1.00 8.44 ? 124 PHE X C 1 ATOM 293 O O . PHE A 1 39 ? 54.140 31.454 30.618 1.00 9.79 ? 124 PHE X O 1 ATOM 294 C CB . PHE A 1 39 ? 54.159 34.039 32.955 1.00 8.99 ? 124 PHE X CB 1 ATOM 295 C CG . PHE A 1 39 ? 53.186 34.644 31.981 1.00 7.69 ? 124 PHE X CG 1 ATOM 296 C CD1 . PHE A 1 39 ? 53.632 35.366 30.881 1.00 8.14 ? 124 PHE X CD1 1 ATOM 297 C CD2 . PHE A 1 39 ? 51.815 34.484 32.163 1.00 8.71 ? 124 PHE X CD2 1 ATOM 298 C CE1 . PHE A 1 39 ? 52.757 35.907 29.997 1.00 9.30 ? 124 PHE X CE1 1 ATOM 299 C CE2 . PHE A 1 39 ? 50.926 35.032 31.248 1.00 8.40 ? 124 PHE X CE2 1 ATOM 300 C CZ . PHE A 1 39 ? 51.400 35.727 30.171 1.00 9.20 ? 124 PHE X CZ 1 ATOM 301 N N . TYR A 1 40 ? 52.940 31.354 32.509 1.00 8.43 ? 125 TYR X N 1 ATOM 302 C CA . TYR A 1 40 ? 51.962 30.388 32.003 1.00 7.96 ? 125 TYR X CA 1 ATOM 303 C C . TYR A 1 40 ? 50.586 31.047 31.908 1.00 8.27 ? 125 TYR X C 1 ATOM 304 O O . TYR A 1 40 ? 50.200 31.839 32.782 1.00 8.03 ? 125 TYR X O 1 ATOM 305 C CB . TYR A 1 40 ? 51.901 29.170 32.938 1.00 8.41 ? 125 TYR X CB 1 ATOM 306 C CG . TYR A 1 40 ? 53.164 28.351 32.855 1.00 8.38 ? 125 TYR X CG 1 ATOM 307 C CD1 . TYR A 1 40 ? 53.284 27.318 31.947 1.00 8.83 ? 125 TYR X CD1 1 ATOM 308 C CD2 . TYR A 1 40 ? 54.271 28.658 33.649 1.00 11.04 ? 125 TYR X CD2 1 ATOM 309 C CE1 . TYR A 1 40 ? 54.473 26.590 31.833 1.00 9.83 ? 125 TYR X CE1 1 ATOM 310 C CE2 . TYR A 1 40 ? 55.448 27.943 33.533 1.00 12.09 ? 125 TYR X CE2 1 ATOM 311 C CZ . TYR A 1 40 ? 55.540 26.919 32.622 1.00 11.36 ? 125 TYR X CZ 1 ATOM 312 O OH . TYR A 1 40 ? 56.728 26.219 32.523 1.00 11.34 ? 125 TYR X OH 1 ATOM 313 N N . MET A 1 41 ? 49.847 30.692 30.860 1.00 7.84 ? 126 MET X N 1 ATOM 314 C CA . MET A 1 41 ? 48.473 31.191 30.655 1.00 7.33 ? 126 MET X CA 1 ATOM 315 C C . MET A 1 41 ? 47.536 30.023 30.431 1.00 7.20 ? 126 MET X C 1 ATOM 316 O O . MET A 1 41 ? 47.854 29.094 29.702 1.00 7.20 ? 126 MET X O 1 ATOM 317 C CB . MET A 1 41 ? 48.391 32.112 29.443 1.00 7.76 ? 126 MET X CB 1 ATOM 318 C CG . MET A 1 41 ? 47.019 32.731 29.244 1.00 8.21 ? 126 MET X CG 1 ATOM 319 S SD . MET A 1 41 ? 46.633 34.052 30.437 1.00 7.93 ? 126 MET X SD 1 ATOM 320 C CE . MET A 1 41 ? 47.173 35.483 29.503 1.00 8.98 ? 126 MET X CE 1 ATOM 321 N N . ASP A 1 42 ? 46.367 30.067 31.050 1.00 6.79 ? 127 ASP X N 1 ATOM 322 C CA . ASP A 1 42 ? 45.327 29.083 30.745 1.00 6.73 ? 127 ASP X CA 1 ATOM 323 C C . ASP A 1 42 ? 45.048 29.048 29.238 1.00 6.67 ? 127 ASP X C 1 ATOM 324 O O . ASP A 1 42 ? 44.829 30.103 28.622 1.00 6.52 ? 127 ASP X O 1 ATOM 325 C CB . ASP A 1 42 ? 44.018 29.420 31.462 1.00 7.22 ? 127 ASP X CB 1 ATOM 326 C CG . ASP A 1 42 ? 44.006 29.059 32.927 1.00 8.57 ? 127 ASP X CG 1 ATOM 327 O OD1 . ASP A 1 42 ? 44.954 28.456 33.414 1.00 8.41 ? 127 ASP X OD1 1 ATOM 328 O OD2 . ASP A 1 42 ? 42.981 29.373 33.595 1.00 8.30 ? 127 ASP X OD2 1 ATOM 329 N N . ALA A 1 43 ? 45.009 27.845 28.659 1.00 6.40 ? 128 ALA X N 1 ATOM 330 C CA . ALA A 1 43 ? 44.661 27.684 27.241 1.00 6.16 ? 128 ALA X CA 1 ATOM 331 C C . ALA A 1 43 ? 43.231 28.108 26.948 1.00 6.89 ? 128 ALA X C 1 ATOM 332 O O . ALA A 1 43 ? 42.942 28.579 25.849 1.00 6.48 ? 128 ALA X O 1 ATOM 333 C CB . ALA A 1 43 ? 44.850 26.268 26.799 1.00 7.00 ? 128 ALA X CB 1 ATOM 334 N N . TYR A 1 44 ? 42.360 27.929 27.941 1.00 6.95 ? 129 TYR X N 1 ATOM 335 C CA . TYR A 1 44 ? 40.922 28.109 27.780 1.00 6.82 ? 129 TYR X CA 1 ATOM 336 C C . TYR A 1 44 ? 40.390 29.098 28.809 1.00 6.15 ? 129 TYR X C 1 ATOM 337 O O . TYR A 1 44 ? 40.889 29.205 29.940 1.00 6.42 ? 129 TYR X O 1 ATOM 338 C CB . TYR A 1 44 ? 40.194 26.777 28.034 1.00 7.88 ? 129 TYR X CB 1 ATOM 339 C CG . TYR A 1 44 ? 40.769 25.618 27.270 1.00 8.16 ? 129 TYR X CG 1 ATOM 340 C CD1 . TYR A 1 44 ? 40.607 25.525 25.905 1.00 8.26 ? 129 TYR X CD1 1 ATOM 341 C CD2 . TYR A 1 44 ? 41.507 24.624 27.916 1.00 9.47 ? 129 TYR X CD2 1 ATOM 342 C CE1 . TYR A 1 44 ? 41.154 24.477 25.187 1.00 7.62 ? 129 TYR X CE1 1 ATOM 343 C CE2 . TYR A 1 44 ? 42.049 23.576 27.205 1.00 10.37 ? 129 TYR X CE2 1 ATOM 344 C CZ . TYR A 1 44 ? 41.861 23.501 25.846 1.00 10.44 ? 129 TYR X CZ 1 ATOM 345 O OH . TYR A 1 44 ? 42.396 22.458 25.111 1.00 11.54 ? 129 TYR X OH 1 ATOM 346 N N . GLU A 1 45 ? 39.308 29.775 28.444 1.00 5.99 ? 130 GLU X N 1 ATOM 347 C CA . GLU A 1 45 ? 38.477 30.448 29.445 1.00 6.28 ? 130 GLU X CA 1 ATOM 348 C C . GLU A 1 45 ? 38.079 29.415 30.485 1.00 6.34 ? 130 GLU X C 1 ATOM 349 O O . GLU A 1 45 ? 37.895 28.240 30.168 1.00 7.02 ? 130 GLU X O 1 ATOM 350 C CB . GLU A 1 45 ? 37.218 30.992 28.778 1.00 6.67 ? 130 GLU X CB 1 ATOM 351 C CG . GLU A 1 45 ? 37.465 32.070 27.717 1.00 6.14 ? 130 GLU X CG 1 ATOM 352 C CD . GLU A 1 45 ? 36.380 32.154 26.652 1.00 7.19 ? 130 GLU X CD 1 ATOM 353 O OE1 . GLU A 1 45 ? 35.835 31.105 26.276 1.00 6.70 ? 130 GLU X OE1 1 ATOM 354 O OE2 . GLU A 1 45 ? 36.103 33.278 26.160 1.00 6.25 ? 130 GLU X OE2 1 ATOM 355 N N . VAL A 1 46 ? 37.897 29.843 31.722 1.00 6.59 ? 131 VAL X N 1 ATOM 356 C CA . VAL A 1 46 ? 37.447 28.927 32.771 1.00 6.74 ? 131 VAL X CA 1 ATOM 357 C C . VAL A 1 46 ? 36.009 28.524 32.465 1.00 6.93 ? 131 VAL X C 1 ATOM 358 O O . VAL A 1 46 ? 35.145 29.386 32.242 1.00 6.47 ? 131 VAL X O 1 ATOM 359 C CB . VAL A 1 46 ? 37.515 29.634 34.147 1.00 6.65 ? 131 VAL X CB 1 ATOM 360 C CG1 . VAL A 1 46 ? 36.834 28.817 35.213 1.00 6.63 ? 131 VAL X CG1 1 ATOM 361 C CG2 . VAL A 1 46 ? 38.977 29.927 34.513 1.00 7.55 ? 131 VAL X CG2 1 ATOM 362 N N . SER A 1 47 ? 35.754 27.213 32.410 1.00 6.59 ? 132 SER X N 1 ATOM 363 C CA . SER A 1 47 ? 34.450 26.686 32.043 1.00 6.82 ? 132 SER X CA 1 ATOM 364 C C . SER A 1 47 ? 33.531 26.521 33.230 1.00 6.99 ? 132 SER X C 1 ATOM 365 O O . SER A 1 47 ? 33.951 26.567 34.381 1.00 7.69 ? 132 SER X O 1 ATOM 366 C CB . SER A 1 47 ? 34.602 25.328 31.387 1.00 7.37 ? 132 SER X CB 1 ATOM 367 O OG . SER A 1 47 ? 34.990 24.343 32.334 1.00 8.46 ? 132 SER X OG 1 ATOM 368 N N . ASN A 1 48 ? 32.269 26.267 32.934 1.00 7.51 ? 133 ASN X N 1 ATOM 369 C CA . ASN A 1 48 ? 31.306 25.989 33.989 1.00 7.35 ? 133 ASN X CA 1 ATOM 370 C C . ASN A 1 48 ? 31.745 24.805 34.847 1.00 7.63 ? 133 ASN X C 1 ATOM 371 O O . ASN A 1 48 ? 31.666 24.870 36.057 1.00 8.31 ? 133 ASN X O 1 ATOM 372 C CB . ASN A 1 48 ? 29.939 25.724 33.368 1.00 8.00 ? 133 ASN X CB 1 ATOM 373 C CG . ASN A 1 48 ? 29.281 26.989 32.891 1.00 7.61 ? 133 ASN X CG 1 ATOM 374 O OD1 . ASN A 1 48 ? 29.335 28.000 33.577 1.00 7.78 ? 133 ASN X OD1 1 ATOM 375 N ND2 . ASN A 1 48 ? 28.613 26.934 31.717 1.00 8.42 ? 133 ASN X ND2 1 ATOM 376 N N . THR A 1 49 ? 32.221 23.736 34.218 1.00 8.63 ? 134 THR X N 1 ATOM 377 C CA . THR A 1 49 ? 32.649 22.555 34.977 1.00 8.75 ? 134 THR X CA 1 ATOM 378 C C . THR A 1 49 ? 33.816 22.899 35.896 1.00 8.90 ? 134 THR X C 1 ATOM 379 O O . THR A 1 49 ? 33.851 22.504 37.078 1.00 9.62 ? 134 THR X O 1 ATOM 380 C CB . THR A 1 49 ? 33.031 21.415 34.044 1.00 9.51 ? 134 THR X CB 1 ATOM 381 O OG1 . THR A 1 49 ? 31.866 20.975 33.339 1.00 11.33 ? 134 THR X OG1 1 ATOM 382 C CG2 . THR A 1 49 ? 33.600 20.241 34.829 1.00 10.69 ? 134 THR X CG2 1 ATOM 383 N N . GLU A 1 50 ? 34.780 23.637 35.374 1.00 8.61 ? 135 GLU X N 1 ATOM 384 C CA . GLU A 1 50 ? 35.944 23.989 36.182 1.00 8.73 ? 135 GLU X CA 1 ATOM 385 C C . GLU A 1 50 ? 35.540 24.913 37.336 1.00 9.17 ? 135 GLU X C 1 ATOM 386 O O . GLU A 1 50 ? 35.990 24.743 38.472 1.00 8.89 ? 135 GLU X O 1 ATOM 387 C CB . GLU A 1 50 ? 37.050 24.581 35.308 1.00 9.13 ? 135 GLU X CB 1 ATOM 388 C CG . GLU A 1 50 ? 37.608 23.562 34.314 1.00 10.30 ? 135 GLU X CG 1 ATOM 389 C CD . GLU A 1 50 ? 38.184 22.332 34.993 1.00 14.80 ? 135 GLU X CD 1 ATOM 390 O OE1 . GLU A 1 50 ? 39.149 22.496 35.770 1.00 18.36 ? 135 GLU X OE1 1 ATOM 391 O OE2 . GLU A 1 50 ? 37.635 21.234 34.792 1.00 18.05 ? 135 GLU X OE2 1 ATOM 392 N N . PHE A 1 51 ? 34.656 25.867 37.081 1.00 8.13 ? 136 PHE X N 1 ATOM 393 C CA . PHE A 1 51 ? 34.193 26.754 38.175 1.00 8.20 ? 136 PHE X CA 1 ATOM 394 C C . PHE A 1 51 ? 33.393 25.981 39.220 1.00 9.22 ? 136 PHE X C 1 ATOM 395 O O . PHE A 1 51 ? 33.492 26.250 40.428 1.00 9.56 ? 136 PHE X O 1 ATOM 396 C CB . PHE A 1 51 ? 33.363 27.912 37.611 1.00 8.58 ? 136 PHE X CB 1 ATOM 397 C CG . PHE A 1 51 ? 33.206 29.074 38.559 1.00 7.75 ? 136 PHE X CG 1 ATOM 398 C CD1 . PHE A 1 51 ? 34.215 30.010 38.699 1.00 7.91 ? 136 PHE X CD1 1 ATOM 399 C CD2 . PHE A 1 51 ? 32.050 29.234 39.291 1.00 8.42 ? 136 PHE X CD2 1 ATOM 400 C CE1 . PHE A 1 51 ? 34.078 31.091 39.548 1.00 7.72 ? 136 PHE X CE1 1 ATOM 401 C CE2 . PHE A 1 51 ? 31.901 30.301 40.137 1.00 7.17 ? 136 PHE X CE2 1 ATOM 402 C CZ . PHE A 1 51 ? 32.912 31.232 40.281 1.00 9.01 ? 136 PHE X CZ 1 ATOM 403 N N . GLU A 1 52 ? 32.613 25.003 38.772 1.00 9.73 ? 137 GLU X N 1 ATOM 404 C CA . GLU A 1 52 ? 31.849 24.185 39.700 1.00 10.01 ? 137 GLU X CA 1 ATOM 405 C C . GLU A 1 52 ? 32.775 23.410 40.640 1.00 9.87 ? 137 GLU X C 1 ATOM 406 O O . GLU A 1 52 ? 32.445 23.219 41.816 1.00 10.57 ? 137 GLU X O 1 ATOM 407 C CB . GLU A 1 52 ? 30.932 23.239 38.934 1.00 10.68 ? 137 GLU X CB 1 ATOM 408 C CG . GLU A 1 52 ? 29.979 22.453 39.792 1.00 12.33 ? 137 GLU X CG 1 ATOM 409 C CD . GLU A 1 52 ? 28.943 21.760 38.948 1.00 18.63 ? 137 GLU X CD 1 ATOM 410 O OE1 . GLU A 1 52 ? 29.057 20.525 38.783 1.00 23.95 ? 137 GLU X OE1 1 ATOM 411 O OE2 . GLU A 1 52 ? 28.058 22.454 38.407 1.00 21.79 ? 137 GLU X OE2 1 ATOM 412 N N . LYS A 1 53 ? 33.927 22.973 40.143 1.00 9.46 ? 138 LYS X N 1 ATOM 413 C CA . LYS A 1 53 ? 34.909 22.268 41.021 1.00 9.72 ? 138 LYS X CA 1 ATOM 414 C C . LYS A 1 53 ? 35.332 23.206 42.151 1.00 10.31 ? 138 LYS X C 1 ATOM 415 O O . LYS A 1 53 ? 35.450 22.798 43.307 1.00 11.07 ? 138 LYS X O 1 ATOM 416 C CB . LYS A 1 53 ? 36.132 21.791 40.247 1.00 10.36 ? 138 LYS X CB 1 ATOM 417 C CG . LYS A 1 53 ? 35.834 20.676 39.262 1.00 12.54 ? 138 LYS X CG 1 ATOM 418 C CD . LYS A 1 53 ? 37.025 20.352 38.396 1.00 14.04 ? 138 LYS X CD 1 ATOM 419 C CE . LYS A 1 53 ? 36.700 19.206 37.436 1.00 16.48 ? 138 LYS X CE 1 ATOM 420 N NZ . LYS A 1 53 ? 37.767 18.974 36.432 1.00 20.43 ? 138 LYS X NZ 1 ATOM 421 N N . PHE A 1 54 ? 35.565 24.472 41.806 1.00 9.37 ? 139 PHE X N 1 ATOM 422 C CA . PHE A 1 54 ? 35.927 25.517 42.780 1.00 9.44 ? 139 PHE X CA 1 ATOM 423 C C . PHE A 1 54 ? 34.820 25.708 43.803 1.00 9.31 ? 139 PHE X C 1 ATOM 424 O O . PHE A 1 54 ? 35.070 25.705 45.019 1.00 9.70 ? 139 PHE X O 1 ATOM 425 C CB . PHE A 1 54 ? 36.268 26.813 42.013 1.00 9.18 ? 139 PHE X CB 1 ATOM 426 C CG . PHE A 1 54 ? 36.175 28.094 42.808 1.00 7.72 ? 139 PHE X CG 1 ATOM 427 C CD1 . PHE A 1 54 ? 37.022 28.341 43.903 1.00 7.11 ? 139 PHE X CD1 1 ATOM 428 C CD2 . PHE A 1 54 ? 35.268 29.068 42.464 1.00 8.37 ? 139 PHE X CD2 1 ATOM 429 C CE1 . PHE A 1 54 ? 36.950 29.507 44.599 1.00 8.34 ? 139 PHE X CE1 1 ATOM 430 C CE2 . PHE A 1 54 ? 35.218 30.230 43.167 1.00 7.60 ? 139 PHE X CE2 1 ATOM 431 C CZ . PHE A 1 54 ? 36.047 30.447 44.236 1.00 7.56 ? 139 PHE X CZ 1 ATOM 432 N N . VAL A 1 55 ? 33.592 25.860 43.326 1.00 9.66 ? 140 VAL X N 1 ATOM 433 C CA . VAL A 1 55 ? 32.463 26.065 44.229 1.00 10.15 ? 140 VAL X CA 1 ATOM 434 C C . VAL A 1 55 ? 32.228 24.830 45.104 1.00 11.10 ? 140 VAL X C 1 ATOM 435 O O . VAL A 1 55 ? 31.961 24.952 46.319 1.00 11.89 ? 140 VAL X O 1 ATOM 436 C CB . VAL A 1 55 ? 31.195 26.454 43.461 1.00 9.50 ? 140 VAL X CB 1 ATOM 437 C CG1 . VAL A 1 55 ? 30.025 26.591 44.401 1.00 11.38 ? 140 VAL X CG1 1 ATOM 438 C CG2 . VAL A 1 55 ? 31.422 27.785 42.693 1.00 10.22 ? 140 VAL X CG2 1 ATOM 439 N N . ASN A 1 56 ? 32.361 23.636 44.527 1.00 11.17 ? 141 ASN X N 1 ATOM 440 C CA . ASN A 1 56 ? 32.211 22.400 45.313 1.00 12.59 ? 141 ASN X CA 1 ATOM 441 C C . ASN A 1 56 ? 33.226 22.347 46.451 1.00 12.71 ? 141 ASN X C 1 ATOM 442 O O . ASN A 1 56 ? 32.908 21.939 47.578 1.00 14.08 ? 141 ASN X O 1 ATOM 443 C CB . ASN A 1 56 ? 32.365 21.175 44.424 1.00 12.41 ? 141 ASN X CB 1 ATOM 444 C CG . ASN A 1 56 ? 31.114 20.839 43.628 1.00 17.12 ? 141 ASN X CG 1 ATOM 445 O OD1 . ASN A 1 56 ? 30.055 21.482 43.748 1.00 20.81 ? 141 ASN X OD1 1 ATOM 446 N ND2 . ASN A 1 56 ? 31.250 19.792 42.783 1.00 22.47 ? 141 ASN X ND2 1 ATOM 447 N N . SER A 1 57 ? 34.444 22.773 46.160 1.00 12.52 ? 142 SER X N 1 ATOM 448 C CA . SER A 1 57 ? 35.544 22.720 47.133 1.00 12.93 ? 142 SER X CA 1 ATOM 449 C C . SER A 1 57 ? 35.385 23.742 48.257 1.00 12.86 ? 142 SER X C 1 ATOM 450 O O . SER A 1 57 ? 35.658 23.445 49.435 1.00 14.06 ? 142 SER X O 1 ATOM 451 C CB . SER A 1 57 ? 36.868 22.958 46.417 1.00 13.82 ? 142 SER X CB 1 ATOM 452 O OG . SER A 1 57 ? 37.971 22.954 47.313 1.00 14.80 ? 142 SER X OG 1 ATOM 453 N N . THR A 1 58 ? 34.998 24.958 47.900 1.00 11.59 ? 143 THR X N 1 ATOM 454 C CA . THR A 1 58 ? 35.078 26.107 48.806 1.00 11.44 ? 143 THR X CA 1 ATOM 455 C C . THR A 1 58 ? 33.730 26.571 49.354 1.00 11.93 ? 143 THR X C 1 ATOM 456 O O . THR A 1 58 ? 33.676 27.292 50.372 1.00 12.56 ? 143 THR X O 1 ATOM 457 C CB . THR A 1 58 ? 35.676 27.315 48.075 1.00 11.85 ? 143 THR X CB 1 ATOM 458 O OG1 . THR A 1 58 ? 34.787 27.692 47.010 1.00 10.50 ? 143 THR X OG1 1 ATOM 459 C CG2 . THR A 1 58 ? 37.077 27.013 47.527 1.00 10.66 ? 143 THR X CG2 1 ATOM 460 N N . GLY A 1 59 ? 32.653 26.196 48.674 1.00 11.66 ? 144 GLY X N 1 ATOM 461 C CA . GLY A 1 59 ? 31.334 26.738 48.966 1.00 12.44 ? 144 GLY X CA 1 ATOM 462 C C . GLY A 1 59 ? 31.115 28.157 48.493 1.00 12.84 ? 144 GLY X C 1 ATOM 463 O O . GLY A 1 59 ? 30.126 28.776 48.867 1.00 13.31 ? 144 GLY X O 1 ATOM 464 N N . TYR A 1 60 ? 32.017 28.685 47.659 1.00 11.79 ? 145 TYR X N 1 ATOM 465 C CA . TYR A 1 60 ? 32.007 30.107 47.304 1.00 11.67 ? 145 TYR X CA 1 ATOM 466 C C . TYR A 1 60 ? 30.694 30.564 46.680 1.00 11.60 ? 145 TYR X C 1 ATOM 467 O O . TYR A 1 60 ? 30.225 29.981 45.697 1.00 12.69 ? 145 TYR X O 1 ATOM 468 C CB . TYR A 1 60 ? 33.142 30.408 46.333 1.00 11.21 ? 145 TYR X CB 1 ATOM 469 C CG . TYR A 1 60 ? 33.271 31.888 45.985 1.00 10.15 ? 145 TYR X CG 1 ATOM 470 C CD1 . TYR A 1 60 ? 33.773 32.812 46.895 1.00 8.63 ? 145 TYR X CD1 1 ATOM 471 C CD2 . TYR A 1 60 ? 32.896 32.364 44.732 1.00 10.07 ? 145 TYR X CD2 1 ATOM 472 C CE1 . TYR A 1 60 ? 33.881 34.158 46.595 1.00 10.16 ? 145 TYR X CE1 1 ATOM 473 C CE2 . TYR A 1 60 ? 33.020 33.698 44.424 1.00 8.35 ? 145 TYR X CE2 1 ATOM 474 C CZ . TYR A 1 60 ? 33.507 34.607 45.339 1.00 9.01 ? 145 TYR X CZ 1 ATOM 475 O OH . TYR A 1 60 ? 33.608 35.959 45.048 1.00 9.95 ? 145 TYR X OH 1 ATOM 476 N N . LEU A 1 61 ? 30.111 31.613 47.262 1.00 11.41 ? 146 LEU X N 1 ATOM 477 C CA . LEU A 1 61 ? 28.943 32.280 46.711 1.00 11.15 ? 146 LEU X CA 1 ATOM 478 C C . LEU A 1 61 ? 29.387 33.518 45.950 1.00 10.67 ? 146 LEU X C 1 ATOM 479 O O . LEU A 1 61 ? 30.054 34.382 46.485 1.00 10.76 ? 146 LEU X O 1 ATOM 480 C CB A LEU A 1 61 ? 28.018 32.654 47.871 0.50 11.46 ? 146 LEU X CB 1 ATOM 481 C CB B LEU A 1 61 ? 27.935 32.686 47.797 0.50 11.64 ? 146 LEU X CB 1 ATOM 482 C CG A LEU A 1 61 ? 26.564 33.002 47.622 0.50 11.05 ? 146 LEU X CG 1 ATOM 483 C CG B LEU A 1 61 ? 27.105 31.583 48.453 0.50 12.20 ? 146 LEU X CG 1 ATOM 484 C CD1 A LEU A 1 61 ? 25.828 31.862 46.968 0.50 10.21 ? 146 LEU X CD1 1 ATOM 485 C CD1 B LEU A 1 61 ? 26.071 32.214 49.344 0.50 11.82 ? 146 LEU X CD1 1 ATOM 486 C CD2 A LEU A 1 61 ? 25.926 33.356 48.955 0.50 11.36 ? 146 LEU X CD2 1 ATOM 487 C CD2 B LEU A 1 61 ? 26.416 30.718 47.417 0.50 13.82 ? 146 LEU X CD2 1 ATOM 488 N N . THR A 1 62 ? 29.020 33.591 44.671 1.00 10.24 ? 147 THR X N 1 ATOM 489 C CA . THR A 1 62 ? 29.467 34.672 43.818 1.00 9.98 ? 147 THR X CA 1 ATOM 490 C C . THR A 1 62 ? 28.722 35.950 44.131 1.00 10.20 ? 147 THR X C 1 ATOM 491 O O . THR A 1 62 ? 27.630 35.925 44.712 1.00 10.39 ? 147 THR X O 1 ATOM 492 C CB . THR A 1 62 ? 29.227 34.344 42.321 1.00 10.33 ? 147 THR X CB 1 ATOM 493 O OG1 . THR A 1 62 ? 27.830 34.148 42.084 1.00 9.82 ? 147 THR X OG1 1 ATOM 494 C CG2 . THR A 1 62 ? 29.984 33.107 41.917 1.00 10.74 ? 147 THR X CG2 1 ATOM 495 N N . GLU A 1 63 ? 29.300 37.066 43.729 1.00 9.75 ? 148 GLU X N 1 ATOM 496 C CA . GLU A 1 63 ? 28.700 38.357 44.023 1.00 10.12 ? 148 GLU X CA 1 ATOM 497 C C . GLU A 1 63 ? 27.288 38.505 43.424 1.00 10.55 ? 148 GLU X C 1 ATOM 498 O O . GLU A 1 63 ? 26.383 39.061 44.057 1.00 11.25 ? 148 GLU X O 1 ATOM 499 C CB . GLU A 1 63 ? 29.624 39.494 43.610 1.00 10.86 ? 148 GLU X CB 1 ATOM 500 C CG . GLU A 1 63 ? 30.905 39.504 44.425 1.00 12.24 ? 148 GLU X CG 1 ATOM 501 C CD . GLU A 1 63 ? 31.670 40.784 44.328 1.00 13.45 ? 148 GLU X CD 1 ATOM 502 O OE1 . GLU A 1 63 ? 31.551 41.619 45.254 1.00 17.11 ? 148 GLU X OE1 1 ATOM 503 O OE2 . GLU A 1 63 ? 32.451 40.977 43.378 1.00 12.00 ? 148 GLU X OE2 1 ATOM 504 N N . ALA A 1 64 ? 27.091 38.002 42.215 1.00 10.48 ? 149 ALA X N 1 ATOM 505 C CA . ALA A 1 64 ? 25.758 38.045 41.602 1.00 10.82 ? 149 ALA X CA 1 ATOM 506 C C . ALA A 1 64 ? 24.730 37.287 42.420 1.00 11.73 ? 149 ALA X C 1 ATOM 507 O O . ALA A 1 64 ? 23.564 37.675 42.482 1.00 11.76 ? 149 ALA X O 1 ATOM 508 C CB . ALA A 1 64 ? 25.796 37.480 40.184 1.00 11.47 ? 149 ALA X CB 1 ATOM 509 N N . GLU A 1 65 ? 25.146 36.185 43.033 1.00 11.82 ? 150 GLU X N 1 ATOM 510 C CA . GLU A 1 65 ? 24.216 35.405 43.833 1.00 12.80 ? 150 GLU X CA 1 ATOM 511 C C . GLU A 1 65 ? 23.832 36.155 45.091 1.00 13.91 ? 150 GLU X C 1 ATOM 512 O O . GLU A 1 65 ? 22.675 36.104 45.515 1.00 15.13 ? 150 GLU X O 1 ATOM 513 C CB . GLU A 1 65 ? 24.820 34.050 44.184 1.00 12.62 ? 150 GLU X CB 1 ATOM 514 C CG . GLU A 1 65 ? 24.905 33.100 43.020 1.00 12.57 ? 150 GLU X CG 1 ATOM 515 C CD . GLU A 1 65 ? 25.741 31.902 43.362 1.00 12.61 ? 150 GLU X CD 1 ATOM 516 O OE1 . GLU A 1 65 ? 26.978 32.023 43.291 1.00 11.52 ? 150 GLU X OE1 1 ATOM 517 O OE2 . GLU A 1 65 ? 25.170 30.844 43.739 1.00 16.56 ? 150 GLU X OE2 1 ATOM 518 N N . LYS A 1 66 ? 24.798 36.851 45.679 1.00 13.47 ? 151 LYS X N 1 ATOM 519 C CA . LYS A 1 66 ? 24.550 37.627 46.893 1.00 14.13 ? 151 LYS X CA 1 ATOM 520 C C . LYS A 1 66 ? 23.756 38.900 46.611 1.00 14.83 ? 151 LYS X C 1 ATOM 521 O O . LYS A 1 66 ? 22.885 39.270 47.412 1.00 15.76 ? 151 LYS X O 1 ATOM 522 C CB . LYS A 1 66 ? 25.867 37.941 47.587 1.00 14.45 ? 151 LYS X CB 1 ATOM 523 C CG . LYS A 1 66 ? 26.539 36.700 48.116 1.00 14.66 ? 151 LYS X CG 1 ATOM 524 C CD . LYS A 1 66 ? 27.773 37.001 48.925 1.00 17.30 ? 151 LYS X CD 1 ATOM 525 C CE . LYS A 1 66 ? 28.893 37.602 48.112 1.00 18.76 ? 151 LYS X CE 1 ATOM 526 N NZ . LYS A 1 66 ? 30.113 37.803 48.968 1.00 20.34 ? 151 LYS X NZ 1 ATOM 527 N N . PHE A 1 67 ? 24.035 39.569 45.487 1.00 15.02 ? 152 PHE X N 1 ATOM 528 C CA . PHE A 1 67 ? 23.271 40.768 45.086 1.00 15.23 ? 152 PHE X CA 1 ATOM 529 C C . PHE A 1 67 ? 21.858 40.383 44.664 1.00 15.46 ? 152 PHE X C 1 ATOM 530 O O . PHE A 1 67 ? 20.913 41.162 44.859 1.00 16.77 ? 152 PHE X O 1 ATOM 531 C CB . PHE A 1 67 ? 23.928 41.491 43.908 1.00 15.72 ? 152 PHE X CB 1 ATOM 532 C CG . PHE A 1 67 ? 25.158 42.289 44.262 1.00 15.60 ? 152 PHE X CG 1 ATOM 533 C CD1 . PHE A 1 67 ? 25.135 43.245 45.276 1.00 17.12 ? 152 PHE X CD1 1 ATOM 534 C CD2 . PHE A 1 67 ? 26.338 42.140 43.524 1.00 15.75 ? 152 PHE X CD2 1 ATOM 535 C CE1 . PHE A 1 67 ? 26.268 44.001 45.570 1.00 17.25 ? 152 PHE X CE1 1 ATOM 536 C CE2 . PHE A 1 67 ? 27.461 42.893 43.813 1.00 16.27 ? 152 PHE X CE2 1 ATOM 537 C CZ . PHE A 1 67 ? 27.434 43.821 44.832 1.00 17.40 ? 152 PHE X CZ 1 ATOM 538 N N . GLY A 1 68 ? 21.704 39.201 44.073 1.00 14.46 ? 153 GLY X N 1 ATOM 539 C CA . GLY A 1 68 ? 20.403 38.714 43.639 1.00 14.21 ? 153 GLY X CA 1 ATOM 540 C C . GLY A 1 68 ? 20.037 39.024 42.202 1.00 14.21 ? 153 GLY X C 1 ATOM 541 O O . GLY A 1 68 ? 18.958 38.662 41.755 1.00 14.59 ? 153 GLY X O 1 ATOM 542 N N . ASP A 1 69 ? 20.953 39.645 41.460 1.00 14.47 ? 154 ASP X N 1 ATOM 543 C CA . ASP A 1 69 ? 20.730 39.885 40.037 1.00 14.63 ? 154 ASP X CA 1 ATOM 544 C C . ASP A 1 69 ? 22.053 40.014 39.304 1.00 13.67 ? 154 ASP X C 1 ATOM 545 O O . ASP A 1 69 ? 23.088 40.115 39.924 1.00 12.54 ? 154 ASP X O 1 ATOM 546 C CB . ASP A 1 69 ? 19.866 41.125 39.829 1.00 15.03 ? 154 ASP X CB 1 ATOM 547 C CG . ASP A 1 69 ? 20.511 42.396 40.339 1.00 18.34 ? 154 ASP X CG 1 ATOM 548 O OD1 . ASP A 1 69 ? 21.577 42.798 39.830 1.00 21.12 ? 154 ASP X OD1 1 ATOM 549 O OD2 . ASP A 1 69 ? 19.915 43.026 41.241 1.00 24.31 ? 154 ASP X OD2 1 ATOM 550 N N . SER A 1 70 ? 21.989 39.997 37.977 1.00 12.65 ? 155 SER X N 1 ATOM 551 C CA . SER A 1 70 ? 23.155 40.227 37.121 1.00 11.45 ? 155 SER X CA 1 ATOM 552 C C . SER A 1 70 ? 22.666 40.659 35.749 1.00 11.13 ? 155 SER X C 1 ATOM 553 O O . SER A 1 70 ? 21.496 40.464 35.430 1.00 10.89 ? 155 SER X O 1 ATOM 554 C CB . SER A 1 70 ? 23.992 38.957 37.002 1.00 11.02 ? 155 SER X CB 1 ATOM 555 O OG . SER A 1 70 ? 25.232 39.238 36.367 1.00 9.77 ? 155 SER X OG 1 ATOM 556 N N . PHE A 1 71 ? 23.544 41.235 34.936 1.00 10.94 ? 156 PHE X N 1 ATOM 557 C CA . PHE A 1 71 ? 23.132 41.742 33.620 1.00 11.04 ? 156 PHE X CA 1 ATOM 558 C C . PHE A 1 71 ? 23.029 40.652 32.569 1.00 10.36 ? 156 PHE X C 1 ATOM 559 O O . PHE A 1 71 ? 23.941 39.834 32.420 1.00 10.09 ? 156 PHE X O 1 ATOM 560 C CB . PHE A 1 71 ? 24.063 42.846 33.136 1.00 11.91 ? 156 PHE X CB 1 ATOM 561 C CG . PHE A 1 71 ? 23.821 44.144 33.808 1.00 14.29 ? 156 PHE X CG 1 ATOM 562 C CD1 . PHE A 1 71 ? 22.676 44.864 33.530 1.00 16.05 ? 156 PHE X CD1 1 ATOM 563 C CD2 . PHE A 1 71 ? 24.711 44.639 34.736 1.00 15.44 ? 156 PHE X CD2 1 ATOM 564 C CE1 . PHE A 1 71 ? 22.439 46.067 34.149 1.00 16.64 ? 156 PHE X CE1 1 ATOM 565 C CE2 . PHE A 1 71 ? 24.471 45.832 35.368 1.00 17.13 ? 156 PHE X CE2 1 ATOM 566 C CZ . PHE A 1 71 ? 23.327 46.546 35.073 1.00 16.96 ? 156 PHE X CZ 1 ATOM 567 N N . VAL A 1 72 ? 21.908 40.660 31.834 1.00 10.27 ? 157 VAL X N 1 ATOM 568 C CA . VAL A 1 72 ? 21.651 39.702 30.767 1.00 10.21 ? 157 VAL X CA 1 ATOM 569 C C . VAL A 1 72 ? 21.282 40.469 29.496 1.00 11.04 ? 157 VAL X C 1 ATOM 570 O O . VAL A 1 72 ? 20.572 41.480 29.555 1.00 11.02 ? 157 VAL X O 1 ATOM 571 C CB . VAL A 1 72 ? 20.496 38.744 31.130 1.00 10.30 ? 157 VAL X CB 1 ATOM 572 C CG1 . VAL A 1 72 ? 20.281 37.730 30.035 1.00 10.62 ? 157 VAL X CG1 1 ATOM 573 C CG2 . VAL A 1 72 ? 20.807 38.022 32.458 1.00 10.86 ? 157 VAL X CG2 1 ATOM 574 N N . PHE A 1 73 ? 21.801 40.006 28.364 1.00 11.25 ? 158 PHE X N 1 ATOM 575 C CA . PHE A 1 73 ? 21.485 40.587 27.072 1.00 12.46 ? 158 PHE X CA 1 ATOM 576 C C . PHE A 1 73 ? 20.044 40.275 26.706 1.00 13.47 ? 158 PHE X C 1 ATOM 577 O O . PHE A 1 73 ? 19.637 39.113 26.710 1.00 13.08 ? 158 PHE X O 1 ATOM 578 C CB . PHE A 1 73 ? 22.433 40.023 26.011 1.00 13.27 ? 158 PHE X CB 1 ATOM 579 C CG . PHE A 1 73 ? 22.034 40.346 24.603 1.00 14.46 ? 158 PHE X CG 1 ATOM 580 C CD1 . PHE A 1 73 ? 21.979 39.350 23.642 1.00 16.16 ? 158 PHE X CD1 1 ATOM 581 C CD2 . PHE A 1 73 ? 21.708 41.643 24.237 1.00 15.23 ? 158 PHE X CD2 1 ATOM 582 C CE1 . PHE A 1 73 ? 21.611 39.624 22.345 1.00 17.90 ? 158 PHE X CE1 1 ATOM 583 C CE2 . PHE A 1 73 ? 21.335 41.936 22.939 1.00 17.26 ? 158 PHE X CE2 1 ATOM 584 C CZ . PHE A 1 73 ? 21.291 40.926 21.984 1.00 17.45 ? 158 PHE X CZ 1 ATOM 585 N N . GLU A 1 74 ? 19.276 41.307 26.356 1.00 14.78 ? 159 GLU X N 1 ATOM 586 C CA . GLU A 1 74 ? 17.842 41.134 26.071 1.00 17.10 ? 159 GLU X CA 1 ATOM 587 C C . GLU A 1 74 ? 17.543 40.055 25.036 1.00 17.34 ? 159 GLU X C 1 ATOM 588 O O . GLU A 1 74 ? 16.540 39.332 25.139 1.00 17.86 ? 159 GLU X O 1 ATOM 589 C CB A GLU A 1 74 ? 17.206 42.449 25.641 0.50 16.87 ? 159 GLU X CB 1 ATOM 590 C CB B GLU A 1 74 ? 17.241 42.467 25.572 0.50 16.99 ? 159 GLU X CB 1 ATOM 591 C CG A GLU A 1 74 ? 15.687 42.412 25.727 0.50 17.88 ? 159 GLU X CG 1 ATOM 592 C CG B GLU A 1 74 ? 17.796 42.924 24.209 0.50 18.87 ? 159 GLU X CG 1 ATOM 593 C CD A GLU A 1 74 ? 15.043 43.728 25.360 0.50 18.84 ? 159 GLU X CD 1 ATOM 594 C CD B GLU A 1 74 ? 17.116 44.146 23.594 0.50 19.38 ? 159 GLU X CD 1 ATOM 595 O OE1 A GLU A 1 74 ? 15.768 44.732 25.198 0.50 21.15 ? 159 GLU X OE1 1 ATOM 596 O OE1 B GLU A 1 74 ? 16.114 44.641 24.157 0.50 21.37 ? 159 GLU X OE1 1 ATOM 597 O OE2 A GLU A 1 74 ? 13.800 43.755 25.241 0.50 22.86 ? 159 GLU X OE2 1 ATOM 598 O OE2 B GLU A 1 74 ? 17.590 44.602 22.519 0.50 19.49 ? 159 GLU X OE2 1 ATOM 599 N N . GLY A 1 75 ? 18.402 39.948 24.035 1.00 18.83 ? 160 GLY X N 1 ATOM 600 C CA . GLY A 1 75 ? 18.151 39.069 22.903 1.00 20.60 ? 160 GLY X CA 1 ATOM 601 C C . GLY A 1 75 ? 18.103 37.613 23.283 1.00 21.68 ? 160 GLY X C 1 ATOM 602 O O . GLY A 1 75 ? 17.603 36.791 22.522 1.00 22.41 ? 160 GLY X O 1 ATOM 603 N N . MET A 1 76 ? 18.608 37.283 24.465 1.00 22.42 ? 161 MET X N 1 ATOM 604 C CA . MET A 1 76 ? 18.681 35.883 24.862 1.00 23.17 ? 161 MET X CA 1 ATOM 605 C C . MET A 1 76 ? 17.798 35.522 26.023 1.00 24.02 ? 161 MET X C 1 ATOM 606 O O . MET A 1 76 ? 17.852 34.397 26.525 1.00 23.94 ? 161 MET X O 1 ATOM 607 C CB . MET A 1 76 ? 20.115 35.550 25.135 1.00 23.17 ? 161 MET X CB 1 ATOM 608 C CG . MET A 1 76 ? 20.870 35.631 23.850 1.00 23.10 ? 161 MET X CG 1 ATOM 609 S SD . MET A 1 76 ? 22.585 35.652 24.146 1.00 22.55 ? 161 MET X SD 1 ATOM 610 C CE . MET A 1 76 ? 22.754 34.008 24.867 1.00 20.53 ? 161 MET X CE 1 ATOM 611 N N . LEU A 1 77 ? 16.953 36.468 26.412 1.00 25.27 ? 162 LEU X N 1 ATOM 612 C CA . LEU A 1 77 ? 15.873 36.189 27.352 1.00 26.47 ? 162 LEU X CA 1 ATOM 613 C C . LEU A 1 77 ? 14.740 35.460 26.634 1.00 27.10 ? 162 LEU X C 1 ATOM 614 O O . LEU A 1 77 ? 14.778 35.294 25.403 1.00 28.59 ? 162 LEU X O 1 ATOM 615 C CB . LEU A 1 77 ? 15.382 37.494 27.965 1.00 26.67 ? 162 LEU X CB 1 ATOM 616 C CG . LEU A 1 77 ? 16.407 38.174 28.873 1.00 27.62 ? 162 LEU X CG 1 ATOM 617 C CD1 . LEU A 1 77 ? 15.939 39.575 29.249 1.00 28.63 ? 162 LEU X CD1 1 ATOM 618 C CD2 . LEU A 1 77 ? 16.693 37.351 30.130 1.00 28.10 ? 162 LEU X CD2 1 ATOM 619 N N . ALA A 1 90 ? 21.854 49.931 33.718 1.00 24.45 ? 175 ALA X N 1 ATOM 620 C CA . ALA A 1 90 ? 22.319 49.272 32.513 1.00 24.41 ? 175 ALA X CA 1 ATOM 621 C C . ALA A 1 90 ? 23.229 50.152 31.650 1.00 24.35 ? 175 ALA X C 1 ATOM 622 O O . ALA A 1 90 ? 23.006 51.355 31.532 1.00 25.02 ? 175 ALA X O 1 ATOM 623 C CB . ALA A 1 90 ? 21.145 48.822 31.693 1.00 24.84 ? 175 ALA X CB 1 ATOM 624 N N . ALA A 1 91 ? 24.231 49.518 31.035 1.00 23.16 ? 176 ALA X N 1 ATOM 625 C CA . ALA A 1 91 ? 25.166 50.176 30.107 1.00 21.77 ? 176 ALA X CA 1 ATOM 626 C C . ALA A 1 91 ? 24.534 50.542 28.760 1.00 19.98 ? 176 ALA X C 1 ATOM 627 O O . ALA A 1 91 ? 25.020 51.434 28.049 1.00 20.27 ? 176 ALA X O 1 ATOM 628 C CB . ALA A 1 91 ? 26.368 49.251 29.861 1.00 22.49 ? 176 ALA X CB 1 ATOM 629 N N . ALA A 1 92 ? 23.490 49.820 28.384 1.00 17.76 ? 177 ALA X N 1 ATOM 630 C CA . ALA A 1 92 ? 22.812 50.025 27.121 1.00 15.85 ? 177 ALA X CA 1 ATOM 631 C C . ALA A 1 92 ? 21.410 49.464 27.244 1.00 14.34 ? 177 ALA X C 1 ATOM 632 O O . ALA A 1 92 ? 21.159 48.627 28.103 1.00 13.83 ? 177 ALA X O 1 ATOM 633 C CB . ALA A 1 92 ? 23.560 49.315 25.997 1.00 15.77 ? 177 ALA X CB 1 ATOM 634 N N . PRO A 1 93 ? 20.478 49.903 26.388 1.00 13.30 ? 178 PRO X N 1 ATOM 635 C CA . PRO A 1 93 ? 19.114 49.376 26.513 1.00 13.23 ? 178 PRO X CA 1 ATOM 636 C C . PRO A 1 93 ? 18.988 47.852 26.415 1.00 12.74 ? 178 PRO X C 1 ATOM 637 O O . PRO A 1 93 ? 18.010 47.288 26.901 1.00 13.66 ? 178 PRO X O 1 ATOM 638 C CB . PRO A 1 93 ? 18.376 50.026 25.331 1.00 13.69 ? 178 PRO X CB 1 ATOM 639 C CG . PRO A 1 93 ? 19.161 51.254 25.032 1.00 13.20 ? 178 PRO X CG 1 ATOM 640 C CD . PRO A 1 93 ? 20.586 50.884 25.290 1.00 13.61 ? 178 PRO X CD 1 ATOM 641 N N . TRP A 1 94 ? 19.938 47.197 25.751 1.00 12.20 ? 179 TRP X N 1 ATOM 642 C CA . TRP A 1 94 ? 19.884 45.753 25.581 1.00 12.31 ? 179 TRP X CA 1 ATOM 643 C C . TRP A 1 94 ? 20.496 44.989 26.759 1.00 12.51 ? 179 TRP X C 1 ATOM 644 O O . TRP A 1 94 ? 20.510 43.750 26.739 1.00 12.41 ? 179 TRP X O 1 ATOM 645 C CB . TRP A 1 94 ? 20.552 45.336 24.264 1.00 12.85 ? 179 TRP X CB 1 ATOM 646 C CG . TRP A 1 94 ? 21.949 45.849 24.080 1.00 12.76 ? 179 TRP X CG 1 ATOM 647 C CD1 . TRP A 1 94 ? 23.100 45.303 24.579 1.00 15.26 ? 179 TRP X CD1 1 ATOM 648 C CD2 . TRP A 1 94 ? 22.353 47.018 23.344 1.00 13.61 ? 179 TRP X CD2 1 ATOM 649 N NE1 . TRP A 1 94 ? 24.181 46.053 24.201 1.00 15.37 ? 179 TRP X NE1 1 ATOM 650 C CE2 . TRP A 1 94 ? 23.754 47.110 23.443 1.00 14.69 ? 179 TRP X CE2 1 ATOM 651 C CE3 . TRP A 1 94 ? 21.666 47.991 22.626 1.00 15.01 ? 179 TRP X CE3 1 ATOM 652 C CZ2 . TRP A 1 94 ? 24.483 48.134 22.841 1.00 14.56 ? 179 TRP X CZ2 1 ATOM 653 C CZ3 . TRP A 1 94 ? 22.398 49.008 22.029 1.00 14.19 ? 179 TRP X CZ3 1 ATOM 654 C CH2 . TRP A 1 94 ? 23.783 49.069 22.148 1.00 13.95 ? 179 TRP X CH2 1 ATOM 655 N N . TRP A 1 95 ? 20.950 45.697 27.788 1.00 12.86 ? 180 TRP X N 1 ATOM 656 C CA . TRP A 1 95 ? 21.397 45.042 29.022 1.00 14.03 ? 180 TRP X CA 1 ATOM 657 C C . TRP A 1 95 ? 20.387 45.221 30.125 1.00 15.00 ? 180 TRP X C 1 ATOM 658 O O . TRP A 1 95 ? 20.099 46.348 30.517 1.00 16.51 ? 180 TRP X O 1 ATOM 659 C CB . TRP A 1 95 ? 22.726 45.606 29.472 1.00 14.94 ? 180 TRP X CB 1 ATOM 660 C CG . TRP A 1 95 ? 23.844 45.140 28.677 1.00 15.64 ? 180 TRP X CG 1 ATOM 661 C CD1 . TRP A 1 95 ? 24.598 45.870 27.808 1.00 16.52 ? 180 TRP X CD1 1 ATOM 662 C CD2 . TRP A 1 95 ? 24.375 43.815 28.653 1.00 14.96 ? 180 TRP X CD2 1 ATOM 663 N NE1 . TRP A 1 95 ? 25.572 45.084 27.257 1.00 17.99 ? 180 TRP X NE1 1 ATOM 664 C CE2 . TRP A 1 95 ? 25.463 43.816 27.766 1.00 17.42 ? 180 TRP X CE2 1 ATOM 665 C CE3 . TRP A 1 95 ? 24.048 42.628 29.318 1.00 14.71 ? 180 TRP X CE3 1 ATOM 666 C CZ2 . TRP A 1 95 ? 26.229 42.671 27.511 1.00 17.58 ? 180 TRP X CZ2 1 ATOM 667 C CZ3 . TRP A 1 95 ? 24.806 41.493 29.068 1.00 15.76 ? 180 TRP X CZ3 1 ATOM 668 C CH2 . TRP A 1 95 ? 25.881 41.521 28.171 1.00 16.37 ? 180 TRP X CH2 1 ATOM 669 N N . LEU A 1 96 ? 19.854 44.118 30.637 1.00 14.98 ? 181 LEU X N 1 ATOM 670 C CA . LEU A 1 96 ? 18.818 44.168 31.654 1.00 16.44 ? 181 LEU X CA 1 ATOM 671 C C . LEU A 1 96 ? 19.335 43.543 32.937 1.00 16.48 ? 181 LEU X C 1 ATOM 672 O O . LEU A 1 96 ? 19.947 42.477 32.889 1.00 15.24 ? 181 LEU X O 1 ATOM 673 C CB . LEU A 1 96 ? 17.581 43.406 31.172 1.00 17.17 ? 181 LEU X CB 1 ATOM 674 C CG . LEU A 1 96 ? 16.852 44.049 29.984 1.00 20.23 ? 181 LEU X CG 1 ATOM 675 C CD1 . LEU A 1 96 ? 15.826 43.110 29.448 1.00 23.12 ? 181 LEU X CD1 1 ATOM 676 C CD2 . LEU A 1 96 ? 16.202 45.355 30.406 1.00 21.11 ? 181 LEU X CD2 1 ATOM 677 N N . PRO A 1 97 ? 19.076 44.185 34.088 1.00 16.82 ? 182 PRO X N 1 ATOM 678 C CA . PRO A 1 97 ? 19.357 43.555 35.381 1.00 17.21 ? 182 PRO X CA 1 ATOM 679 C C . PRO A 1 97 ? 18.304 42.497 35.643 1.00 17.01 ? 182 PRO X C 1 ATOM 680 O O . PRO A 1 97 ? 17.112 42.820 35.789 1.00 19.20 ? 182 PRO X O 1 ATOM 681 C CB . PRO A 1 97 ? 19.236 44.713 36.372 1.00 17.66 ? 182 PRO X CB 1 ATOM 682 C CG . PRO A 1 97 ? 18.289 45.653 35.730 1.00 17.95 ? 182 PRO X CG 1 ATOM 683 C CD . PRO A 1 97 ? 18.487 45.528 34.242 1.00 17.38 ? 182 PRO X CD 1 ATOM 684 N N . VAL A 1 98 ? 18.699 41.236 35.653 1.00 15.33 ? 183 VAL X N 1 ATOM 685 C CA . VAL A 1 98 ? 17.733 40.155 35.771 1.00 14.65 ? 183 VAL X CA 1 ATOM 686 C C . VAL A 1 98 ? 17.871 39.483 37.127 1.00 14.90 ? 183 VAL X C 1 ATOM 687 O O . VAL A 1 98 ? 18.944 38.985 37.486 1.00 14.08 ? 183 VAL X O 1 ATOM 688 C CB . VAL A 1 98 ? 17.911 39.116 34.651 1.00 14.06 ? 183 VAL X CB 1 ATOM 689 C CG1 . VAL A 1 98 ? 17.004 37.943 34.871 1.00 14.33 ? 183 VAL X CG1 1 ATOM 690 C CG2 . VAL A 1 98 ? 17.618 39.752 33.288 1.00 14.35 ? 183 VAL X CG2 1 ATOM 691 N N A LYS A 1 99 ? 16.779 39.462 37.884 0.50 14.87 ? 184 LYS X N 1 ATOM 692 N N B LYS A 1 99 ? 16.777 39.453 37.880 0.50 14.88 ? 184 LYS X N 1 ATOM 693 C CA A LYS A 1 99 ? 16.786 38.829 39.191 0.50 15.35 ? 184 LYS X CA 1 ATOM 694 C CA B LYS A 1 99 ? 16.788 38.830 39.193 0.50 15.25 ? 184 LYS X CA 1 ATOM 695 C C A LYS A 1 99 ? 17.022 37.336 39.022 0.50 14.45 ? 184 LYS X C 1 ATOM 696 C C B LYS A 1 99 ? 17.024 37.338 39.021 0.50 14.46 ? 184 LYS X C 1 ATOM 697 O O A LYS A 1 99 ? 16.399 36.700 38.177 0.50 13.98 ? 184 LYS X O 1 ATOM 698 O O B LYS A 1 99 ? 16.403 36.703 38.174 0.50 13.95 ? 184 LYS X O 1 ATOM 699 C CB A LYS A 1 99 ? 15.471 39.111 39.934 0.50 15.75 ? 184 LYS X CB 1 ATOM 700 C CB B LYS A 1 99 ? 15.468 39.101 39.935 0.50 16.05 ? 184 LYS X CB 1 ATOM 701 C CG A LYS A 1 99 ? 15.308 40.581 40.283 0.50 17.46 ? 184 LYS X CG 1 ATOM 702 C CG B LYS A 1 99 ? 15.217 40.578 40.219 0.50 18.75 ? 184 LYS X CG 1 ATOM 703 C CD A LYS A 1 99 ? 14.199 40.820 41.298 0.50 17.51 ? 184 LYS X CD 1 ATOM 704 C CD B LYS A 1 99 ? 16.084 41.108 41.354 0.50 21.31 ? 184 LYS X CD 1 ATOM 705 C CE A LYS A 1 99 ? 14.313 42.208 41.911 0.50 19.89 ? 184 LYS X CE 1 ATOM 706 C CE B LYS A 1 99 ? 16.242 42.624 41.269 0.50 23.05 ? 184 LYS X CE 1 ATOM 707 N NZ A LYS A 1 99 ? 13.339 42.393 43.032 0.50 20.68 ? 184 LYS X NZ 1 ATOM 708 N NZ B LYS A 1 99 ? 16.843 43.206 42.501 0.50 24.59 ? 184 LYS X NZ 1 ATOM 709 N N . GLY A 1 100 ? 17.964 36.797 39.791 1.00 13.64 ? 185 GLY X N 1 ATOM 710 C CA . GLY A 1 100 ? 18.260 35.377 39.751 1.00 13.38 ? 185 GLY X CA 1 ATOM 711 C C . GLY A 1 100 ? 19.121 34.925 38.584 1.00 12.57 ? 185 GLY X C 1 ATOM 712 O O . GLY A 1 100 ? 19.281 33.720 38.385 1.00 13.11 ? 185 GLY X O 1 ATOM 713 N N . ALA A 1 101 ? 19.663 35.870 37.811 1.00 12.19 ? 186 ALA X N 1 ATOM 714 C CA . ALA A 1 101 ? 20.690 35.528 36.807 1.00 11.10 ? 186 ALA X CA 1 ATOM 715 C C . ALA A 1 101 ? 22.046 35.423 37.496 1.00 10.36 ? 186 ALA X C 1 ATOM 716 O O . ALA A 1 101 ? 22.427 36.299 38.265 1.00 10.47 ? 186 ALA X O 1 ATOM 717 C CB . ALA A 1 101 ? 20.747 36.542 35.698 1.00 10.88 ? 186 ALA X CB 1 ATOM 718 N N . ASN A 1 102 ? 22.751 34.328 37.245 1.00 9.16 ? 187 ASN X N 1 ATOM 719 C CA . ASN A 1 102 ? 24.050 34.110 37.868 1.00 9.14 ? 187 ASN X CA 1 ATOM 720 C C . ASN A 1 102 ? 24.721 32.962 37.123 1.00 8.83 ? 187 ASN X C 1 ATOM 721 O O . ASN A 1 102 ? 24.185 32.484 36.102 1.00 8.39 ? 187 ASN X O 1 ATOM 722 C CB . ASN A 1 102 ? 23.913 33.840 39.375 1.00 9.64 ? 187 ASN X CB 1 ATOM 723 C CG . ASN A 1 102 ? 23.017 32.676 39.674 1.00 11.07 ? 187 ASN X CG 1 ATOM 724 O OD1 . ASN A 1 102 ? 23.230 31.580 39.182 1.00 12.39 ? 187 ASN X OD1 1 ATOM 725 N ND2 . ASN A 1 102 ? 22.011 32.901 40.540 1.00 13.21 ? 187 ASN X ND2 1 ATOM 726 N N . TRP A 1 103 ? 25.902 32.548 37.574 1.00 8.37 ? 188 TRP X N 1 ATOM 727 C CA . TRP A 1 103 ? 26.680 31.604 36.780 1.00 8.72 ? 188 TRP X CA 1 ATOM 728 C C . TRP A 1 103 ? 25.953 30.290 36.483 1.00 8.72 ? 188 TRP X C 1 ATOM 729 O O . TRP A 1 103 ? 26.178 29.686 35.425 1.00 8.31 ? 188 TRP X O 1 ATOM 730 C CB . TRP A 1 103 ? 28.044 31.344 37.397 1.00 8.67 ? 188 TRP X CB 1 ATOM 731 C CG . TRP A 1 103 ? 28.077 30.454 38.611 1.00 9.28 ? 188 TRP X CG 1 ATOM 732 C CD1 . TRP A 1 103 ? 27.897 30.815 39.925 1.00 8.72 ? 188 TRP X CD1 1 ATOM 733 C CD2 . TRP A 1 103 ? 28.395 29.057 38.623 1.00 8.93 ? 188 TRP X CD2 1 ATOM 734 N NE1 . TRP A 1 103 ? 28.072 29.718 40.738 1.00 9.04 ? 188 TRP X NE1 1 ATOM 735 C CE2 . TRP A 1 103 ? 28.365 28.625 39.968 1.00 8.13 ? 188 TRP X CE2 1 ATOM 736 C CE3 . TRP A 1 103 ? 28.700 28.132 37.627 1.00 8.92 ? 188 TRP X CE3 1 ATOM 737 C CZ2 . TRP A 1 103 ? 28.632 27.288 40.325 1.00 9.71 ? 188 TRP X CZ2 1 ATOM 738 C CZ3 . TRP A 1 103 ? 28.950 26.819 37.977 1.00 8.99 ? 188 TRP X CZ3 1 ATOM 739 C CH2 . TRP A 1 103 ? 28.931 26.414 39.322 1.00 9.25 ? 188 TRP X CH2 1 ATOM 740 N N . ARG A 1 104 ? 25.078 29.846 37.397 1.00 9.34 ? 189 ARG X N 1 ATOM 741 C CA . ARG A 1 104 ? 24.336 28.586 37.192 1.00 10.11 ? 189 ARG X CA 1 ATOM 742 C C . ARG A 1 104 ? 23.074 28.773 36.357 1.00 9.89 ? 189 ARG X C 1 ATOM 743 O O . ARG A 1 104 ? 22.497 27.803 35.862 1.00 9.63 ? 189 ARG X O 1 ATOM 744 C CB . ARG A 1 104 ? 23.948 27.960 38.533 1.00 10.90 ? 189 ARG X CB 1 ATOM 745 C CG . ARG A 1 104 ? 25.090 27.405 39.328 1.00 14.03 ? 189 ARG X CG 1 ATOM 746 C CD . ARG A 1 104 ? 24.533 26.469 40.428 1.00 18.61 ? 189 ARG X CD 1 ATOM 747 N NE . ARG A 1 104 ? 25.547 26.056 41.387 1.00 20.84 ? 189 ARG X NE 1 ATOM 748 C CZ . ARG A 1 104 ? 26.355 24.994 41.265 1.00 24.00 ? 189 ARG X CZ 1 ATOM 749 N NH1 . ARG A 1 104 ? 26.276 24.167 40.215 1.00 25.35 ? 189 ARG X NH1 1 ATOM 750 N NH2 . ARG A 1 104 ? 27.254 24.743 42.223 1.00 24.14 ? 189 ARG X NH2 1 ATOM 751 N N . HIS A 1 105 ? 22.662 30.028 36.197 1.00 10.64 ? 190 HIS X N 1 ATOM 752 C CA . HIS A 1 105 ? 21.396 30.402 35.580 1.00 11.37 ? 190 HIS X CA 1 ATOM 753 C C . HIS A 1 105 ? 21.625 31.614 34.677 1.00 10.71 ? 190 HIS X C 1 ATOM 754 O O . HIS A 1 105 ? 21.240 32.734 35.009 1.00 10.39 ? 190 HIS X O 1 ATOM 755 C CB . HIS A 1 105 ? 20.405 30.749 36.694 1.00 12.39 ? 190 HIS X CB 1 ATOM 756 C CG . HIS A 1 105 ? 20.182 29.624 37.656 1.00 13.36 ? 190 HIS X CG 1 ATOM 757 N ND1 . HIS A 1 105 ? 19.545 28.454 37.292 1.00 17.11 ? 190 HIS X ND1 1 ATOM 758 C CD2 . HIS A 1 105 ? 20.534 29.477 38.954 1.00 16.83 ? 190 HIS X CD2 1 ATOM 759 C CE1 . HIS A 1 105 ? 19.517 27.637 38.330 1.00 17.40 ? 190 HIS X CE1 1 ATOM 760 N NE2 . HIS A 1 105 ? 20.092 28.238 39.355 1.00 18.91 ? 190 HIS X NE2 1 ATOM 761 N N . PRO A 1 106 ? 22.320 31.399 33.546 1.00 10.78 ? 191 PRO X N 1 ATOM 762 C CA . PRO A 1 106 ? 22.889 32.540 32.812 1.00 10.96 ? 191 PRO X CA 1 ATOM 763 C C . PRO A 1 106 ? 21.912 33.534 32.189 1.00 11.74 ? 191 PRO X C 1 ATOM 764 O O . PRO A 1 106 ? 22.312 34.671 31.895 1.00 11.26 ? 191 PRO X O 1 ATOM 765 C CB . PRO A 1 106 ? 23.760 31.861 31.743 1.00 11.20 ? 191 PRO X CB 1 ATOM 766 C CG . PRO A 1 106 ? 24.011 30.477 32.283 1.00 11.26 ? 191 PRO X CG 1 ATOM 767 C CD . PRO A 1 106 ? 22.741 30.119 32.968 1.00 11.15 ? 191 PRO X CD 1 ATOM 768 N N . GLU A 1 107 ? 20.659 33.122 31.985 1.00 12.53 ? 192 GLU X N 1 ATOM 769 C CA . GLU A 1 107 ? 19.632 34.053 31.495 1.00 13.67 ? 192 GLU X CA 1 ATOM 770 C C . GLU A 1 107 ? 18.540 34.345 32.522 1.00 15.07 ? 192 GLU X C 1 ATOM 771 O O . GLU A 1 107 ? 17.552 35.004 32.197 1.00 16.57 ? 192 GLU X O 1 ATOM 772 C CB . GLU A 1 107 ? 19.006 33.545 30.194 1.00 13.50 ? 192 GLU X CB 1 ATOM 773 C CG . GLU A 1 107 ? 19.981 33.458 29.062 1.00 13.61 ? 192 GLU X CG 1 ATOM 774 C CD . GLU A 1 107 ? 20.753 32.144 29.027 1.00 13.22 ? 192 GLU X CD 1 ATOM 775 O OE1 . GLU A 1 107 ? 20.166 31.093 29.361 1.00 14.33 ? 192 GLU X OE1 1 ATOM 776 O OE2 . GLU A 1 107 ? 21.935 32.169 28.633 1.00 12.49 ? 192 GLU X OE2 1 ATOM 777 N N A GLY A 1 108 ? 18.719 33.867 33.750 0.50 15.51 ? 193 GLY X N 1 ATOM 778 N N B GLY A 1 108 ? 18.730 33.897 33.762 0.50 15.57 ? 193 GLY X N 1 ATOM 779 C CA A GLY A 1 108 ? 17.695 34.001 34.781 0.50 16.20 ? 193 GLY X CA 1 ATOM 780 C CA B GLY A 1 108 ? 17.714 34.049 34.810 0.50 16.32 ? 193 GLY X CA 1 ATOM 781 C C A GLY A 1 108 ? 17.367 32.670 35.434 0.50 16.90 ? 193 GLY X C 1 ATOM 782 C C B GLY A 1 108 ? 17.285 32.694 35.348 0.50 17.04 ? 193 GLY X C 1 ATOM 783 O O A GLY A 1 108 ? 17.939 31.645 35.085 0.50 16.95 ? 193 GLY X O 1 ATOM 784 O O B GLY A 1 108 ? 17.671 31.671 34.795 0.50 17.50 ? 193 GLY X O 1 ATOM 785 N N . PRO A 1 109 ? 16.436 32.679 36.395 1.00 17.61 ? 194 PRO X N 1 ATOM 786 C CA . PRO A 1 109 ? 16.190 31.498 37.241 1.00 18.10 ? 194 PRO X CA 1 ATOM 787 C C . PRO A 1 109 ? 15.733 30.220 36.551 1.00 18.41 ? 194 PRO X C 1 ATOM 788 O O . PRO A 1 109 ? 15.923 29.126 37.110 1.00 19.46 ? 194 PRO X O 1 ATOM 789 C CB . PRO A 1 109 ? 15.097 31.984 38.212 1.00 18.77 ? 194 PRO X CB 1 ATOM 790 C CG . PRO A 1 109 ? 14.494 33.164 37.559 1.00 18.40 ? 194 PRO X CG 1 ATOM 791 C CD . PRO A 1 109 ? 15.579 33.814 36.783 1.00 18.12 ? 194 PRO X CD 1 ATOM 792 N N A ASP A 1 110 ? 15.129 30.340 35.370 0.50 18.14 ? 195 ASP X N 1 ATOM 793 N N B ASP A 1 110 ? 15.137 30.354 35.368 0.50 18.12 ? 195 ASP X N 1 ATOM 794 C CA A ASP A 1 110 ? 14.648 29.166 34.629 0.50 17.76 ? 195 ASP X CA 1 ATOM 795 C CA B ASP A 1 110 ? 14.618 29.201 34.628 0.50 17.74 ? 195 ASP X CA 1 ATOM 796 C C A ASP A 1 110 ? 15.515 28.844 33.408 0.50 17.38 ? 195 ASP X C 1 ATOM 797 C C B ASP A 1 110 ? 15.634 28.582 33.659 0.50 17.19 ? 195 ASP X C 1 ATOM 798 O O A ASP A 1 110 ? 15.048 28.275 32.419 0.50 16.99 ? 195 ASP X O 1 ATOM 799 O O B ASP A 1 110 ? 15.396 27.491 33.127 0.50 16.29 ? 195 ASP X O 1 ATOM 800 C CB A ASP A 1 110 ? 13.187 29.363 34.237 0.50 18.01 ? 195 ASP X CB 1 ATOM 801 C CB B ASP A 1 110 ? 13.328 29.586 33.894 0.50 18.09 ? 195 ASP X CB 1 ATOM 802 C CG A ASP A 1 110 ? 12.279 29.462 35.447 0.50 18.28 ? 195 ASP X CG 1 ATOM 803 C CG B ASP A 1 110 ? 12.185 29.891 34.853 0.50 18.82 ? 195 ASP X CG 1 ATOM 804 O OD1 A ASP A 1 110 ? 12.146 28.447 36.176 0.50 14.96 ? 195 ASP X OD1 1 ATOM 805 O OD1 B ASP A 1 110 ? 11.989 29.107 35.818 0.50 19.73 ? 195 ASP X OD1 1 ATOM 806 O OD2 A ASP A 1 110 ? 11.710 30.558 35.666 0.50 19.79 ? 195 ASP X OD2 1 ATOM 807 O OD2 B ASP A 1 110 ? 11.493 30.917 34.653 0.50 18.89 ? 195 ASP X OD2 1 ATOM 808 N N . SER A 1 111 ? 16.780 29.247 33.478 1.00 16.33 ? 196 SER X N 1 ATOM 809 C CA . SER A 1 111 ? 17.807 28.775 32.561 1.00 15.22 ? 196 SER X CA 1 ATOM 810 C C . SER A 1 111 ? 18.746 27.917 33.370 1.00 13.63 ? 196 SER X C 1 ATOM 811 O O . SER A 1 111 ? 18.758 27.979 34.601 1.00 14.24 ? 196 SER X O 1 ATOM 812 C CB . SER A 1 111 ? 18.570 29.946 31.939 1.00 14.17 ? 196 SER X CB 1 ATOM 813 O OG . SER A 1 111 ? 19.297 30.664 32.921 1.00 13.75 ? 196 SER X OG 1 ATOM 814 N N . THR A 1 112 ? 19.569 27.135 32.675 1.00 12.39 ? 197 THR X N 1 ATOM 815 C CA . THR A 1 112 ? 20.479 26.220 33.337 1.00 12.69 ? 197 THR X CA 1 ATOM 816 C C . THR A 1 112 ? 21.792 26.097 32.570 1.00 11.69 ? 197 THR X C 1 ATOM 817 O O . THR A 1 112 ? 21.868 26.481 31.391 1.00 10.12 ? 197 THR X O 1 ATOM 818 C CB . THR A 1 112 ? 19.819 24.848 33.422 1.00 13.55 ? 197 THR X CB 1 ATOM 819 O OG1 . THR A 1 112 ? 20.655 23.962 34.126 1.00 16.64 ? 197 THR X OG1 1 ATOM 820 C CG2 . THR A 1 112 ? 19.602 24.271 32.051 1.00 15.45 ? 197 THR X CG2 1 ATOM 821 N N . ILE A 1 113 ? 22.814 25.574 33.238 1.00 10.84 ? 198 ILE X N 1 ATOM 822 C CA . ILE A 1 113 ? 24.088 25.233 32.576 1.00 10.20 ? 198 ILE X CA 1 ATOM 823 C C . ILE A 1 113 ? 24.267 23.729 32.324 1.00 10.35 ? 198 ILE X C 1 ATOM 824 O O . ILE A 1 113 ? 25.342 23.283 31.920 1.00 9.43 ? 198 ILE X O 1 ATOM 825 C CB . ILE A 1 113 ? 25.324 25.790 33.349 1.00 9.88 ? 198 ILE X CB 1 ATOM 826 C CG1 . ILE A 1 113 ? 25.335 25.323 34.808 1.00 9.40 ? 198 ILE X CG1 1 ATOM 827 C CG2 . ILE A 1 113 ? 25.339 27.293 33.269 1.00 9.88 ? 198 ILE X CG2 1 ATOM 828 C CD1 . ILE A 1 113 ? 26.633 25.565 35.554 1.00 11.16 ? 198 ILE X CD1 1 ATOM 829 N N . LEU A 1 114 ? 23.233 22.926 32.551 1.00 10.57 ? 199 LEU X N 1 ATOM 830 C CA . LEU A 1 114 ? 23.422 21.479 32.483 1.00 11.19 ? 199 LEU X CA 1 ATOM 831 C C . LEU A 1 114 ? 23.783 20.982 31.095 1.00 10.54 ? 199 LEU X C 1 ATOM 832 O O . LEU A 1 114 ? 24.468 19.985 30.962 1.00 10.85 ? 199 LEU X O 1 ATOM 833 C CB . LEU A 1 114 ? 22.190 20.730 32.997 1.00 11.72 ? 199 LEU X CB 1 ATOM 834 C CG . LEU A 1 114 ? 21.885 20.926 34.480 1.00 15.13 ? 199 LEU X CG 1 ATOM 835 C CD1 . LEU A 1 114 ? 20.627 20.171 34.861 1.00 17.39 ? 199 LEU X CD1 1 ATOM 836 C CD2 . LEU A 1 114 ? 23.046 20.502 35.327 1.00 18.61 ? 199 LEU X CD2 1 ATOM 837 N N . HIS A 1 115 ? 23.305 21.679 30.071 1.00 10.43 ? 200 HIS X N 1 ATOM 838 C CA . HIS A 1 115 ? 23.601 21.341 28.684 1.00 9.53 ? 200 HIS X CA 1 ATOM 839 C C . HIS A 1 115 ? 24.830 22.055 28.107 1.00 10.02 ? 200 HIS X C 1 ATOM 840 O O . HIS A 1 115 ? 25.158 21.866 26.929 1.00 10.65 ? 200 HIS X O 1 ATOM 841 C CB . HIS A 1 115 ? 22.394 21.680 27.813 1.00 10.46 ? 200 HIS X CB 1 ATOM 842 C CG . HIS A 1 115 ? 22.057 23.125 27.828 1.00 9.67 ? 200 HIS X CG 1 ATOM 843 N ND1 . HIS A 1 115 ? 21.327 23.704 28.846 1.00 11.02 ? 200 HIS X ND1 1 ATOM 844 C CD2 . HIS A 1 115 ? 22.377 24.125 26.973 1.00 10.34 ? 200 HIS X CD2 1 ATOM 845 C CE1 . HIS A 1 115 ? 21.208 25.001 28.608 1.00 9.50 ? 200 HIS X CE1 1 ATOM 846 N NE2 . HIS A 1 115 ? 21.827 25.277 27.471 1.00 9.72 ? 200 HIS X NE2 1 ATOM 847 N N . ARG A 1 116 ? 25.509 22.851 28.927 1.00 8.94 ? 201 ARG X N 1 ATOM 848 C CA . ARG A 1 116 ? 26.649 23.636 28.472 1.00 8.65 ? 201 ARG X CA 1 ATOM 849 C C . ARG A 1 116 ? 27.763 23.636 29.522 1.00 8.65 ? 201 ARG X C 1 ATOM 850 O O . ARG A 1 116 ? 28.316 24.679 29.864 1.00 8.39 ? 201 ARG X O 1 ATOM 851 C CB . ARG A 1 116 ? 26.219 25.058 28.115 1.00 8.73 ? 201 ARG X CB 1 ATOM 852 C CG . ARG A 1 116 ? 25.360 25.729 29.148 1.00 7.90 ? 201 ARG X CG 1 ATOM 853 C CD . ARG A 1 116 ? 25.009 27.171 28.774 1.00 8.52 ? 201 ARG X CD 1 ATOM 854 N NE . ARG A 1 116 ? 23.735 27.541 29.383 1.00 8.63 ? 201 ARG X NE 1 ATOM 855 C CZ . ARG A 1 116 ? 23.121 28.711 29.256 1.00 9.53 ? 201 ARG X CZ 1 ATOM 856 N NH1 . ARG A 1 116 ? 23.688 29.703 28.597 1.00 10.36 ? 201 ARG X NH1 1 ATOM 857 N NH2 . ARG A 1 116 ? 21.935 28.895 29.808 1.00 10.55 ? 201 ARG X NH2 1 ATOM 858 N N . PRO A 1 117 ? 28.159 22.442 29.986 1.00 8.02 ? 202 PRO X N 1 ATOM 859 C CA . PRO A 1 117 ? 29.181 22.359 31.032 1.00 8.16 ? 202 PRO X CA 1 ATOM 860 C C . PRO A 1 117 ? 30.555 22.872 30.588 1.00 8.14 ? 202 PRO X C 1 ATOM 861 O O . PRO A 1 117 ? 31.337 23.360 31.421 1.00 9.45 ? 202 PRO X O 1 ATOM 862 C CB . PRO A 1 117 ? 29.248 20.855 31.326 1.00 8.63 ? 202 PRO X CB 1 ATOM 863 C CG . PRO A 1 117 ? 28.821 20.208 30.037 1.00 8.35 ? 202 PRO X CG 1 ATOM 864 C CD . PRO A 1 117 ? 27.717 21.100 29.545 1.00 8.93 ? 202 PRO X CD 1 ATOM 865 N N A ASP A 1 118 ? 30.846 22.751 29.294 0.70 7.72 ? 203 ASP X N 1 ATOM 866 N N B ASP A 1 118 ? 30.844 22.763 29.292 0.30 8.03 ? 203 ASP X N 1 ATOM 867 C CA A ASP A 1 118 ? 32.153 23.122 28.741 0.70 7.44 ? 203 ASP X CA 1 ATOM 868 C CA B ASP A 1 118 ? 32.151 23.139 28.738 0.30 7.83 ? 203 ASP X CA 1 ATOM 869 C C A ASP A 1 118 ? 32.189 24.533 28.142 0.70 7.22 ? 203 ASP X C 1 ATOM 870 C C B ASP A 1 118 ? 32.214 24.569 28.210 0.30 7.42 ? 203 ASP X C 1 ATOM 871 O O A ASP A 1 118 ? 33.172 24.893 27.492 0.70 7.48 ? 203 ASP X O 1 ATOM 872 O O B ASP A 1 118 ? 33.241 24.989 27.683 0.30 7.47 ? 203 ASP X O 1 ATOM 873 C CB A ASP A 1 118 ? 32.634 22.082 27.706 0.70 7.61 ? 203 ASP X CB 1 ATOM 874 C CB B ASP A 1 118 ? 32.547 22.158 27.629 0.30 8.15 ? 203 ASP X CB 1 ATOM 875 C CG A ASP A 1 118 ? 31.644 21.858 26.565 0.70 10.01 ? 203 ASP X CG 1 ATOM 876 C CG B ASP A 1 118 ? 32.993 20.825 28.178 0.30 9.63 ? 203 ASP X CG 1 ATOM 877 O OD1 A ASP A 1 118 ? 30.476 22.287 26.666 0.70 11.08 ? 203 ASP X OD1 1 ATOM 878 O OD1 B ASP A 1 118 ? 33.681 20.826 29.217 0.30 13.30 ? 203 ASP X OD1 1 ATOM 879 O OD2 A ASP A 1 118 ? 32.030 21.234 25.550 0.70 12.75 ? 203 ASP X OD2 1 ATOM 880 O OD2 B ASP A 1 118 ? 32.674 19.779 27.577 0.30 13.22 ? 203 ASP X OD2 1 ATOM 881 N N . HIS A 1 119 ? 31.128 25.316 28.370 1.00 6.83 ? 204 HIS X N 1 ATOM 882 C CA . HIS A 1 119 ? 31.096 26.722 27.976 1.00 6.36 ? 204 HIS X CA 1 ATOM 883 C C . HIS A 1 119 ? 31.759 27.561 29.064 1.00 6.48 ? 204 HIS X C 1 ATOM 884 O O . HIS A 1 119 ? 31.850 27.133 30.219 1.00 6.25 ? 204 HIS X O 1 ATOM 885 C CB . HIS A 1 119 ? 29.645 27.172 27.725 1.00 5.87 ? 204 HIS X CB 1 ATOM 886 C CG . HIS A 1 119 ? 29.062 26.590 26.477 1.00 7.37 ? 204 HIS X CG 1 ATOM 887 N ND1 . HIS A 1 119 ? 28.385 27.347 25.546 1.00 8.37 ? 204 HIS X ND1 1 ATOM 888 C CD2 . HIS A 1 119 ? 29.116 25.333 25.977 1.00 7.28 ? 204 HIS X CD2 1 ATOM 889 C CE1 . HIS A 1 119 ? 28.001 26.563 24.552 1.00 10.02 ? 204 HIS X CE1 1 ATOM 890 N NE2 . HIS A 1 119 ? 28.419 25.332 24.792 1.00 8.64 ? 204 HIS X NE2 1 ATOM 891 N N . PRO A 1 120 ? 32.249 28.767 28.712 1.00 6.81 ? 205 PRO X N 1 ATOM 892 C CA . PRO A 1 120 ? 32.853 29.618 29.732 1.00 6.43 ? 205 PRO X CA 1 ATOM 893 C C . PRO A 1 120 ? 31.871 29.962 30.830 1.00 6.39 ? 205 PRO X C 1 ATOM 894 O O . PRO A 1 120 ? 30.703 30.228 30.544 1.00 7.36 ? 205 PRO X O 1 ATOM 895 C CB . PRO A 1 120 ? 33.236 30.885 28.945 1.00 6.88 ? 205 PRO X CB 1 ATOM 896 C CG . PRO A 1 120 ? 32.348 30.875 27.727 1.00 6.65 ? 205 PRO X CG 1 ATOM 897 C CD . PRO A 1 120 ? 32.227 29.419 27.391 1.00 7.22 ? 205 PRO X CD 1 ATOM 898 N N . VAL A 1 121 ? 32.347 30.007 32.072 1.00 6.73 ? 206 VAL X N 1 ATOM 899 C CA . VAL A 1 121 ? 31.545 30.520 33.167 1.00 6.73 ? 206 VAL X CA 1 ATOM 900 C C . VAL A 1 121 ? 31.301 32.013 32.976 1.00 6.70 ? 206 VAL X C 1 ATOM 901 O O . VAL A 1 121 ? 32.208 32.758 32.545 1.00 6.62 ? 206 VAL X O 1 ATOM 902 C CB . VAL A 1 121 ? 32.173 30.226 34.542 1.00 7.11 ? 206 VAL X CB 1 ATOM 903 C CG1 . VAL A 1 121 ? 33.424 31.021 34.794 1.00 7.02 ? 206 VAL X CG1 1 ATOM 904 C CG2 . VAL A 1 121 ? 31.136 30.416 35.651 1.00 9.09 ? 206 VAL X CG2 1 ATOM 905 N N . LEU A 1 122 ? 30.060 32.413 33.284 1.00 6.35 ? 207 LEU X N 1 ATOM 906 C CA . LEU A 1 122 ? 29.592 33.779 33.108 1.00 7.10 ? 207 LEU X CA 1 ATOM 907 C C . LEU A 1 122 ? 29.078 34.324 34.432 1.00 7.66 ? 207 LEU X C 1 ATOM 908 O O . LEU A 1 122 ? 29.001 33.613 35.427 1.00 7.71 ? 207 LEU X O 1 ATOM 909 C CB . LEU A 1 122 ? 28.467 33.804 32.072 1.00 7.43 ? 207 LEU X CB 1 ATOM 910 C CG . LEU A 1 122 ? 28.824 33.205 30.712 1.00 7.75 ? 207 LEU X CG 1 ATOM 911 C CD1 . LEU A 1 122 ? 27.562 32.979 29.903 1.00 7.91 ? 207 LEU X CD1 1 ATOM 912 C CD2 . LEU A 1 122 ? 29.796 34.130 29.981 1.00 9.10 ? 207 LEU X CD2 1 ATOM 913 N N . HIS A 1 123 ? 28.756 35.611 34.455 1.00 7.80 ? 208 HIS X N 1 ATOM 914 C CA . HIS A 1 123 ? 28.222 36.268 35.655 1.00 7.67 ? 208 HIS X CA 1 ATOM 915 C C . HIS A 1 123 ? 29.189 36.175 36.839 1.00 7.66 ? 208 HIS X C 1 ATOM 916 O O . HIS A 1 123 ? 28.762 36.127 38.015 1.00 8.05 ? 208 HIS X O 1 ATOM 917 C CB . HIS A 1 123 ? 26.858 35.730 36.054 1.00 7.24 ? 208 HIS X CB 1 ATOM 918 C CG . HIS A 1 123 ? 25.817 35.918 35.005 1.00 6.04 ? 208 HIS X CG 1 ATOM 919 N ND1 . HIS A 1 123 ? 25.308 37.162 34.688 1.00 8.52 ? 208 HIS X ND1 1 ATOM 920 C CD2 . HIS A 1 123 ? 25.177 35.031 34.215 1.00 7.40 ? 208 HIS X CD2 1 ATOM 921 C CE1 . HIS A 1 123 ? 24.404 37.026 33.736 1.00 8.51 ? 208 HIS X CE1 1 ATOM 922 N NE2 . HIS A 1 123 ? 24.303 35.744 33.426 1.00 7.89 ? 208 HIS X NE2 1 ATOM 923 N N . VAL A 1 124 ? 30.482 36.187 36.513 1.00 7.61 ? 209 VAL X N 1 ATOM 924 C CA . VAL A 1 124 ? 31.555 36.208 37.496 1.00 7.00 ? 209 VAL X CA 1 ATOM 925 C C . VAL A 1 124 ? 32.187 37.589 37.528 1.00 7.23 ? 209 VAL X C 1 ATOM 926 O O . VAL A 1 124 ? 32.562 38.145 36.496 1.00 6.67 ? 209 VAL X O 1 ATOM 927 C CB . VAL A 1 124 ? 32.612 35.106 37.234 1.00 6.87 ? 209 VAL X CB 1 ATOM 928 C CG1 . VAL A 1 124 ? 32.036 33.749 37.613 1.00 8.71 ? 209 VAL X CG1 1 ATOM 929 C CG2 . VAL A 1 124 ? 33.057 35.098 35.763 1.00 7.48 ? 209 VAL X CG2 1 ATOM 930 N N . SER A 1 125 ? 32.222 38.176 38.720 1.00 7.25 ? 210 SER X N 1 ATOM 931 C CA . SER A 1 125 ? 32.847 39.452 38.934 1.00 7.26 ? 210 SER X CA 1 ATOM 932 C C . SER A 1 125 ? 34.353 39.324 38.975 1.00 7.76 ? 210 SER X C 1 ATOM 933 O O . SER A 1 125 ? 34.912 38.228 38.978 1.00 8.79 ? 210 SER X O 1 ATOM 934 C CB . SER A 1 125 ? 32.355 40.064 40.261 1.00 7.75 ? 210 SER X CB 1 ATOM 935 O OG . SER A 1 125 ? 32.938 39.365 41.352 1.00 8.88 ? 210 SER X OG 1 ATOM 936 N N . TRP A 1 126 ? 35.024 40.465 39.053 1.00 8.27 ? 211 TRP X N 1 ATOM 937 C CA . TRP A 1 126 ? 36.468 40.479 39.161 1.00 8.44 ? 211 TRP X CA 1 ATOM 938 C C . TRP A 1 126 ? 36.913 39.782 40.471 1.00 8.48 ? 211 TRP X C 1 ATOM 939 O O . TRP A 1 126 ? 37.849 38.993 40.498 1.00 9.54 ? 211 TRP X O 1 ATOM 940 C CB . TRP A 1 126 ? 36.973 41.919 39.141 1.00 8.72 ? 211 TRP X CB 1 ATOM 941 C CG . TRP A 1 126 ? 38.462 42.087 39.111 1.00 9.44 ? 211 TRP X CG 1 ATOM 942 C CD1 . TRP A 1 126 ? 39.255 42.187 38.001 1.00 9.74 ? 211 TRP X CD1 1 ATOM 943 C CD2 . TRP A 1 126 ? 39.329 42.266 40.234 1.00 8.83 ? 211 TRP X CD2 1 ATOM 944 N NE1 . TRP A 1 126 ? 40.553 42.391 38.363 1.00 9.50 ? 211 TRP X NE1 1 ATOM 945 C CE2 . TRP A 1 126 ? 40.636 42.440 39.730 1.00 9.15 ? 211 TRP X CE2 1 ATOM 946 C CE3 . TRP A 1 126 ? 39.131 42.273 41.615 1.00 10.63 ? 211 TRP X CE3 1 ATOM 947 C CZ2 . TRP A 1 126 ? 41.730 42.636 40.555 1.00 9.19 ? 211 TRP X CZ2 1 ATOM 948 C CZ3 . TRP A 1 126 ? 40.214 42.447 42.432 1.00 10.37 ? 211 TRP X CZ3 1 ATOM 949 C CH2 . TRP A 1 126 ? 41.500 42.632 41.907 1.00 9.73 ? 211 TRP X CH2 1 ATOM 950 N N . ASN A 1 127 ? 36.198 40.057 41.551 1.00 8.44 ? 212 ASN X N 1 ATOM 951 C CA . ASN A 1 127 ? 36.469 39.409 42.808 1.00 8.13 ? 212 ASN X CA 1 ATOM 952 C C . ASN A 1 127 ? 36.240 37.909 42.735 1.00 8.32 ? 212 ASN X C 1 ATOM 953 O O . ASN A 1 127 ? 37.025 37.149 43.302 1.00 9.50 ? 212 ASN X O 1 ATOM 954 C CB . ASN A 1 127 ? 35.620 40.002 43.914 1.00 8.80 ? 212 ASN X CB 1 ATOM 955 C CG . ASN A 1 127 ? 35.940 41.452 44.145 1.00 9.22 ? 212 ASN X CG 1 ATOM 956 O OD1 . ASN A 1 127 ? 37.105 41.819 44.426 1.00 11.13 ? 212 ASN X OD1 1 ATOM 957 N ND2 . ASN A 1 127 ? 34.919 42.310 43.987 1.00 10.64 ? 212 ASN X ND2 1 ATOM 958 N N . ASP A 1 128 ? 35.178 37.469 42.047 1.00 7.97 ? 213 ASP X N 1 ATOM 959 C CA . ASP A 1 128 ? 34.919 36.041 41.881 1.00 8.41 ? 213 ASP X CA 1 ATOM 960 C C . ASP A 1 128 ? 36.087 35.393 41.109 1.00 8.24 ? 213 ASP X C 1 ATOM 961 O O . ASP A 1 128 ? 36.526 34.285 41.408 1.00 8.97 ? 213 ASP X O 1 ATOM 962 C CB . ASP A 1 128 ? 33.633 35.772 41.079 1.00 8.42 ? 213 ASP X CB 1 ATOM 963 C CG . ASP A 1 128 ? 32.356 36.340 41.705 1.00 9.25 ? 213 ASP X CG 1 ATOM 964 O OD1 . ASP A 1 128 ? 32.234 36.521 42.960 1.00 9.67 ? 213 ASP X OD1 1 ATOM 965 O OD2 . ASP A 1 128 ? 31.410 36.540 40.903 1.00 9.32 ? 213 ASP X OD2 1 ATOM 966 N N . ALA A 1 129 ? 36.543 36.070 40.059 1.00 8.27 ? 214 ALA X N 1 ATOM 967 C CA . ALA A 1 129 ? 37.639 35.578 39.216 1.00 8.58 ? 214 ALA X CA 1 ATOM 968 C C . ALA A 1 129 ? 38.929 35.447 40.015 1.00 8.76 ? 214 ALA X C 1 ATOM 969 O O . ALA A 1 129 ? 39.641 34.444 39.912 1.00 8.70 ? 214 ALA X O 1 ATOM 970 C CB . ALA A 1 129 ? 37.831 36.517 38.008 1.00 8.91 ? 214 ALA X CB 1 ATOM 971 N N . VAL A 1 130 ? 39.227 36.447 40.836 1.00 9.00 ? 215 VAL X N 1 ATOM 972 C CA . VAL A 1 130 ? 40.431 36.402 41.674 1.00 8.70 ? 215 VAL X CA 1 ATOM 973 C C . VAL A 1 130 ? 40.350 35.228 42.673 1.00 8.82 ? 215 VAL X C 1 ATOM 974 O O . VAL A 1 130 ? 41.337 34.517 42.900 1.00 9.51 ? 215 VAL X O 1 ATOM 975 C CB . VAL A 1 130 ? 40.650 37.752 42.416 1.00 9.32 ? 215 VAL X CB 1 ATOM 976 C CG1 . VAL A 1 130 ? 41.729 37.622 43.494 1.00 10.18 ? 215 VAL X CG1 1 ATOM 977 C CG2 . VAL A 1 130 ? 41.015 38.828 41.440 1.00 9.80 ? 215 VAL X CG2 1 ATOM 978 N N . ALA A 1 131 ? 39.172 35.011 43.252 1.00 8.30 ? 216 ALA X N 1 ATOM 979 C CA . ALA A 1 131 ? 38.959 33.903 44.185 1.00 8.58 ? 216 ALA X CA 1 ATOM 980 C C . ALA A 1 131 ? 39.243 32.570 43.495 1.00 8.47 ? 216 ALA X C 1 ATOM 981 O O . ALA A 1 131 ? 39.957 31.713 44.012 1.00 9.33 ? 216 ALA X O 1 ATOM 982 C CB . ALA A 1 131 ? 37.540 33.928 44.747 1.00 8.66 ? 216 ALA X CB 1 ATOM 983 N N . TYR A 1 132 ? 38.659 32.397 42.313 1.00 8.21 ? 217 TYR X N 1 ATOM 984 C CA . TYR A 1 132 ? 38.871 31.167 41.576 1.00 7.25 ? 217 TYR X CA 1 ATOM 985 C C . TYR A 1 132 ? 40.346 30.970 41.262 1.00 7.60 ? 217 TYR X C 1 ATOM 986 O O . TYR A 1 132 ? 40.943 29.909 41.533 1.00 7.91 ? 217 TYR X O 1 ATOM 987 C CB . TYR A 1 132 ? 38.056 31.122 40.277 1.00 7.69 ? 217 TYR X CB 1 ATOM 988 C CG . TYR A 1 132 ? 38.395 29.889 39.476 1.00 8.33 ? 217 TYR X CG 1 ATOM 989 C CD1 . TYR A 1 132 ? 39.505 29.885 38.629 1.00 7.61 ? 217 TYR X CD1 1 ATOM 990 C CD2 . TYR A 1 132 ? 37.660 28.721 39.593 1.00 7.83 ? 217 TYR X CD2 1 ATOM 991 C CE1 . TYR A 1 132 ? 39.858 28.766 37.915 1.00 7.84 ? 217 TYR X CE1 1 ATOM 992 C CE2 . TYR A 1 132 ? 38.022 27.578 38.899 1.00 8.66 ? 217 TYR X CE2 1 ATOM 993 C CZ . TYR A 1 132 ? 39.125 27.614 38.059 1.00 8.09 ? 217 TYR X CZ 1 ATOM 994 O OH . TYR A 1 132 ? 39.502 26.487 37.348 1.00 11.80 ? 217 TYR X OH 1 ATOM 995 N N . CYS A 1 133 ? 40.947 31.974 40.646 1.00 7.41 ? 218 CYS X N 1 ATOM 996 C CA . CYS A 1 133 ? 42.337 31.806 40.172 1.00 7.56 ? 218 CYS X CA 1 ATOM 997 C C . CYS A 1 133 ? 43.262 31.504 41.353 1.00 8.34 ? 218 CYS X C 1 ATOM 998 O O . CYS A 1 133 ? 44.116 30.615 41.265 1.00 9.12 ? 218 CYS X O 1 ATOM 999 C CB . CYS A 1 133 ? 42.839 32.995 39.383 1.00 8.33 ? 218 CYS X CB 1 ATOM 1000 S SG . CYS A 1 133 ? 42.036 33.211 37.765 1.00 8.32 ? 218 CYS X SG 1 ATOM 1001 N N A THR A 1 134 ? 43.076 32.218 42.464 0.70 8.52 ? 219 THR X N 1 ATOM 1002 N N B THR A 1 134 ? 43.073 32.231 42.453 0.30 8.28 ? 219 THR X N 1 ATOM 1003 C CA A THR A 1 134 ? 43.932 31.988 43.619 0.70 9.24 ? 219 THR X CA 1 ATOM 1004 C CA B THR A 1 134 ? 43.875 32.022 43.652 0.30 8.45 ? 219 THR X CA 1 ATOM 1005 C C A THR A 1 134 ? 43.680 30.604 44.220 0.70 9.20 ? 219 THR X C 1 ATOM 1006 C C B THR A 1 134 ? 43.673 30.618 44.213 0.30 8.74 ? 219 THR X C 1 ATOM 1007 O O A THR A 1 134 ? 44.635 29.901 44.580 0.70 9.73 ? 219 THR X O 1 ATOM 1008 O O B THR A 1 134 ? 44.644 29.945 44.571 0.30 9.03 ? 219 THR X O 1 ATOM 1009 C CB A THR A 1 134 ? 43.796 33.106 44.670 0.70 9.33 ? 219 THR X CB 1 ATOM 1010 C CB B THR A 1 134 ? 43.534 33.058 44.731 0.30 8.31 ? 219 THR X CB 1 ATOM 1011 O OG1 A THR A 1 134 ? 42.431 33.260 45.068 0.70 11.01 ? 219 THR X OG1 1 ATOM 1012 O OG1 B THR A 1 134 ? 43.616 34.371 44.166 0.30 8.13 ? 219 THR X OG1 1 ATOM 1013 C CG2 A THR A 1 134 ? 44.309 34.404 44.117 0.70 8.85 ? 219 THR X CG2 1 ATOM 1014 C CG2 B THR A 1 134 ? 44.503 32.948 45.914 0.30 7.40 ? 219 THR X CG2 1 ATOM 1015 N N . TRP A 1 135 ? 42.420 30.171 44.272 1.00 8.99 ? 220 TRP X N 1 ATOM 1016 C CA . TRP A 1 135 ? 42.109 28.812 44.725 1.00 9.15 ? 220 TRP X CA 1 ATOM 1017 C C . TRP A 1 135 ? 42.857 27.803 43.893 1.00 9.93 ? 220 TRP X C 1 ATOM 1018 O O . TRP A 1 135 ? 43.340 26.757 44.387 1.00 9.56 ? 220 TRP X O 1 ATOM 1019 C CB . TRP A 1 135 ? 40.606 28.547 44.653 1.00 9.32 ? 220 TRP X CB 1 ATOM 1020 C CG . TRP A 1 135 ? 40.235 27.122 44.863 1.00 8.78 ? 220 TRP X CG 1 ATOM 1021 C CD1 . TRP A 1 135 ? 40.040 26.471 46.062 1.00 10.86 ? 220 TRP X CD1 1 ATOM 1022 C CD2 . TRP A 1 135 ? 39.948 26.172 43.843 1.00 8.91 ? 220 TRP X CD2 1 ATOM 1023 N NE1 . TRP A 1 135 ? 39.670 25.169 45.828 1.00 11.31 ? 220 TRP X NE1 1 ATOM 1024 C CE2 . TRP A 1 135 ? 39.605 24.959 44.476 1.00 10.13 ? 220 TRP X CE2 1 ATOM 1025 C CE3 . TRP A 1 135 ? 39.945 26.232 42.444 1.00 9.20 ? 220 TRP X CE3 1 ATOM 1026 C CZ2 . TRP A 1 135 ? 39.274 23.813 43.759 1.00 11.36 ? 220 TRP X CZ2 1 ATOM 1027 C CZ3 . TRP A 1 135 ? 39.609 25.076 41.731 1.00 10.30 ? 220 TRP X CZ3 1 ATOM 1028 C CH2 . TRP A 1 135 ? 39.280 23.895 42.395 1.00 11.13 ? 220 TRP X CH2 1 ATOM 1029 N N . ALA A 1 136 ? 42.946 28.068 42.577 1.00 8.78 ? 221 ALA X N 1 ATOM 1030 C CA . ALA A 1 136 ? 43.611 27.166 41.636 1.00 9.22 ? 221 ALA X CA 1 ATOM 1031 C C . ALA A 1 136 ? 45.152 27.225 41.635 1.00 9.64 ? 221 ALA X C 1 ATOM 1032 O O . ALA A 1 136 ? 45.792 26.506 40.852 1.00 10.21 ? 221 ALA X O 1 ATOM 1033 C CB . ALA A 1 136 ? 43.089 27.436 40.246 1.00 9.88 ? 221 ALA X CB 1 ATOM 1034 N N . GLY A 1 137 ? 45.748 28.059 42.478 1.00 9.37 ? 222 GLY X N 1 ATOM 1035 C CA . GLY A 1 137 ? 47.188 28.202 42.514 1.00 9.98 ? 222 GLY X CA 1 ATOM 1036 C C . GLY A 1 137 ? 47.690 29.143 41.442 1.00 10.10 ? 222 GLY X C 1 ATOM 1037 O O . GLY A 1 137 ? 48.877 29.118 41.076 1.00 12.17 ? 222 GLY X O 1 ATOM 1038 N N . LYS A 1 138 ? 46.797 30.025 40.985 1.00 9.11 ? 223 LYS X N 1 ATOM 1039 C CA . LYS A 1 138 ? 47.059 30.908 39.859 1.00 8.69 ? 223 LYS X CA 1 ATOM 1040 C C . LYS A 1 138 ? 46.688 32.347 40.223 1.00 8.98 ? 223 LYS X C 1 ATOM 1041 O O . LYS A 1 138 ? 46.568 32.687 41.415 1.00 9.85 ? 223 LYS X O 1 ATOM 1042 C CB . LYS A 1 138 ? 46.242 30.415 38.636 1.00 8.30 ? 223 LYS X CB 1 ATOM 1043 C CG . LYS A 1 138 ? 46.500 28.949 38.246 1.00 8.64 ? 223 LYS X CG 1 ATOM 1044 C CD . LYS A 1 138 ? 45.558 28.480 37.149 1.00 8.99 ? 223 LYS X CD 1 ATOM 1045 C CE . LYS A 1 138 ? 45.716 27.010 36.810 1.00 9.77 ? 223 LYS X CE 1 ATOM 1046 N NZ . LYS A 1 138 ? 44.858 26.645 35.624 1.00 9.03 ? 223 LYS X NZ 1 ATOM 1047 N N . ARG A 1 139 ? 46.525 33.198 39.212 1.00 8.57 ? 224 ARG X N 1 ATOM 1048 C CA . ARG A 1 139 ? 46.206 34.619 39.400 1.00 8.49 ? 224 ARG X CA 1 ATOM 1049 C C . ARG A 1 139 ? 45.568 35.104 38.110 1.00 8.80 ? 224 ARG X C 1 ATOM 1050 O O . ARG A 1 139 ? 45.605 34.407 37.098 1.00 9.46 ? 224 ARG X O 1 ATOM 1051 C CB . ARG A 1 139 ? 47.461 35.452 39.663 1.00 9.15 ? 224 ARG X CB 1 ATOM 1052 C CG . ARG A 1 139 ? 48.573 35.246 38.627 1.00 9.18 ? 224 ARG X CG 1 ATOM 1053 C CD . ARG A 1 139 ? 49.757 36.140 38.915 1.00 9.18 ? 224 ARG X CD 1 ATOM 1054 N NE . ARG A 1 139 ? 50.864 35.936 37.990 1.00 10.30 ? 224 ARG X NE 1 ATOM 1055 C CZ . ARG A 1 139 ? 50.935 36.461 36.765 1.00 9.91 ? 224 ARG X CZ 1 ATOM 1056 N NH1 . ARG A 1 139 ? 49.952 37.213 36.298 1.00 10.58 ? 224 ARG X NH1 1 ATOM 1057 N NH2 . ARG A 1 139 ? 52.014 36.247 36.008 1.00 10.43 ? 224 ARG X NH2 1 ATOM 1058 N N . LEU A 1 140 ? 44.992 36.298 38.137 1.00 8.36 ? 225 LEU X N 1 ATOM 1059 C CA . LEU A 1 140 ? 44.593 36.924 36.872 1.00 7.93 ? 225 LEU X CA 1 ATOM 1060 C C . LEU A 1 140 ? 45.864 37.381 36.142 1.00 8.25 ? 225 LEU X C 1 ATOM 1061 O O . LEU A 1 140 ? 46.867 37.711 36.785 1.00 8.83 ? 225 LEU X O 1 ATOM 1062 C CB . LEU A 1 140 ? 43.679 38.119 37.098 1.00 8.46 ? 225 LEU X CB 1 ATOM 1063 C CG . LEU A 1 140 ? 42.222 37.793 37.451 1.00 8.83 ? 225 LEU X CG 1 ATOM 1064 C CD1 . LEU A 1 140 ? 41.484 39.076 37.764 1.00 10.01 ? 225 LEU X CD1 1 ATOM 1065 C CD2 . LEU A 1 140 ? 41.468 37.012 36.356 1.00 9.64 ? 225 LEU X CD2 1 ATOM 1066 N N . PRO A 1 141 ? 45.829 37.420 34.792 1.00 8.23 ? 226 PRO X N 1 ATOM 1067 C CA . PRO A 1 141 ? 46.905 38.045 34.046 1.00 8.07 ? 226 PRO X CA 1 ATOM 1068 C C . PRO A 1 141 ? 46.791 39.553 34.140 1.00 8.62 ? 226 PRO X C 1 ATOM 1069 O O . PRO A 1 141 ? 45.690 40.074 34.314 1.00 8.18 ? 226 PRO X O 1 ATOM 1070 C CB . PRO A 1 141 ? 46.604 37.626 32.594 1.00 7.91 ? 226 PRO X CB 1 ATOM 1071 C CG . PRO A 1 141 ? 45.163 37.448 32.556 1.00 7.63 ? 226 PRO X CG 1 ATOM 1072 C CD . PRO A 1 141 ? 44.785 36.898 33.891 1.00 7.82 ? 226 PRO X CD 1 ATOM 1073 N N . THR A 1 142 ? 47.906 40.267 33.996 1.00 8.32 ? 227 THR X N 1 ATOM 1074 C CA . THR A 1 142 ? 47.857 41.711 33.819 1.00 8.67 ? 227 THR X CA 1 ATOM 1075 C C . THR A 1 142 ? 47.337 41.998 32.426 1.00 8.15 ? 227 THR X C 1 ATOM 1076 O O . THR A 1 142 ? 47.333 41.109 31.566 1.00 8.31 ? 227 THR X O 1 ATOM 1077 C CB . THR A 1 142 ? 49.244 42.339 33.923 1.00 8.83 ? 227 THR X CB 1 ATOM 1078 O OG1 . THR A 1 142 ? 50.070 41.842 32.854 1.00 8.25 ? 227 THR X OG1 1 ATOM 1079 C CG2 . THR A 1 142 ? 49.890 42.006 35.247 1.00 9.91 ? 227 THR X CG2 1 ATOM 1080 N N . GLU A 1 143 ? 46.930 43.241 32.165 1.00 8.15 ? 228 GLU X N 1 ATOM 1081 C CA . GLU A 1 143 ? 46.496 43.583 30.819 1.00 8.18 ? 228 GLU X CA 1 ATOM 1082 C C . GLU A 1 143 ? 47.609 43.345 29.796 1.00 8.22 ? 228 GLU X C 1 ATOM 1083 O O . GLU A 1 143 ? 47.360 42.853 28.681 1.00 8.18 ? 228 GLU X O 1 ATOM 1084 C CB . GLU A 1 143 ? 45.994 45.018 30.702 1.00 8.33 ? 228 GLU X CB 1 ATOM 1085 C CG . GLU A 1 143 ? 45.321 45.265 29.369 1.00 9.50 ? 228 GLU X CG 1 ATOM 1086 C CD . GLU A 1 143 ? 45.066 46.732 29.036 1.00 9.94 ? 228 GLU X CD 1 ATOM 1087 O OE1 . GLU A 1 143 ? 45.324 47.618 29.900 1.00 12.17 ? 228 GLU X OE1 1 ATOM 1088 O OE2 . GLU A 1 143 ? 44.575 46.985 27.913 1.00 8.97 ? 228 GLU X OE2 1 ATOM 1089 N N . ALA A 1 144 ? 48.833 43.752 30.138 1.00 8.47 ? 229 ALA X N 1 ATOM 1090 C CA . ALA A 1 144 ? 49.945 43.554 29.220 1.00 8.41 ? 229 ALA X CA 1 ATOM 1091 C C . ALA A 1 144 ? 50.199 42.075 28.956 1.00 7.93 ? 229 ALA X C 1 ATOM 1092 O O . ALA A 1 144 ? 50.423 41.673 27.806 1.00 8.54 ? 229 ALA X O 1 ATOM 1093 C CB . ALA A 1 144 ? 51.210 44.235 29.736 1.00 8.65 ? 229 ALA X CB 1 ATOM 1094 N N . GLU A 1 145 ? 50.167 41.256 30.001 1.00 8.49 ? 230 GLU X N 1 ATOM 1095 C CA . GLU A 1 145 ? 50.334 39.800 29.795 1.00 8.18 ? 230 GLU X CA 1 ATOM 1096 C C . GLU A 1 145 ? 49.230 39.269 28.881 1.00 8.00 ? 230 GLU X C 1 ATOM 1097 O O . GLU A 1 145 ? 49.460 38.446 27.970 1.00 8.38 ? 230 GLU X O 1 ATOM 1098 C CB . GLU A 1 145 ? 50.281 39.050 31.114 1.00 8.38 ? 230 GLU X CB 1 ATOM 1099 C CG . GLU A 1 145 ? 51.568 39.159 31.914 1.00 8.53 ? 230 GLU X CG 1 ATOM 1100 C CD . GLU A 1 145 ? 51.467 38.611 33.319 1.00 9.65 ? 230 GLU X CD 1 ATOM 1101 O OE1 . GLU A 1 145 ? 50.330 38.444 33.830 1.00 9.40 ? 230 GLU X OE1 1 ATOM 1102 O OE2 . GLU A 1 145 ? 52.557 38.329 33.907 1.00 10.28 ? 230 GLU X OE2 1 ATOM 1103 N N . TRP A 1 146 ? 48.011 39.712 29.164 1.00 8.03 ? 231 TRP X N 1 ATOM 1104 C CA . TRP A 1 146 ? 46.851 39.268 28.418 1.00 7.45 ? 231 TRP X CA 1 ATOM 1105 C C . TRP A 1 146 ? 47.020 39.644 26.945 1.00 7.66 ? 231 TRP X C 1 ATOM 1106 O O . TRP A 1 146 ? 46.831 38.806 26.038 1.00 6.95 ? 231 TRP X O 1 ATOM 1107 C CB . TRP A 1 146 ? 45.562 39.853 29.029 1.00 7.76 ? 231 TRP X CB 1 ATOM 1108 C CG . TRP A 1 146 ? 44.351 39.244 28.413 1.00 7.10 ? 231 TRP X CG 1 ATOM 1109 C CD1 . TRP A 1 146 ? 43.579 38.244 28.927 1.00 8.32 ? 231 TRP X CD1 1 ATOM 1110 C CD2 . TRP A 1 146 ? 43.785 39.572 27.134 1.00 8.09 ? 231 TRP X CD2 1 ATOM 1111 N NE1 . TRP A 1 146 ? 42.569 37.926 28.044 1.00 8.23 ? 231 TRP X NE1 1 ATOM 1112 C CE2 . TRP A 1 146 ? 42.674 38.727 26.938 1.00 7.75 ? 231 TRP X CE2 1 ATOM 1113 C CE3 . TRP A 1 146 ? 44.114 40.499 26.136 1.00 8.24 ? 231 TRP X CE3 1 ATOM 1114 C CZ2 . TRP A 1 146 ? 41.914 38.765 25.786 1.00 7.70 ? 231 TRP X CZ2 1 ATOM 1115 C CZ3 . TRP A 1 146 ? 43.355 40.535 24.992 1.00 8.39 ? 231 TRP X CZ3 1 ATOM 1116 C CH2 . TRP A 1 146 ? 42.270 39.666 24.820 1.00 7.97 ? 231 TRP X CH2 1 ATOM 1117 N N . GLU A 1 147 ? 47.374 40.905 26.685 1.00 7.01 ? 232 GLU X N 1 ATOM 1118 C CA . GLU A 1 147 ? 47.473 41.377 25.298 1.00 7.13 ? 232 GLU X CA 1 ATOM 1119 C C . GLU A 1 147 ? 48.610 40.691 24.539 1.00 7.82 ? 232 GLU X C 1 ATOM 1120 O O . GLU A 1 147 ? 48.448 40.278 23.384 1.00 7.54 ? 232 GLU X O 1 ATOM 1121 C CB . GLU A 1 147 ? 47.587 42.893 25.218 1.00 7.65 ? 232 GLU X CB 1 ATOM 1122 C CG . GLU A 1 147 ? 47.476 43.382 23.801 1.00 8.14 ? 232 GLU X CG 1 ATOM 1123 C CD . GLU A 1 147 ? 47.417 44.891 23.674 1.00 9.34 ? 232 GLU X CD 1 ATOM 1124 O OE1 . GLU A 1 147 ? 46.688 45.550 24.461 1.00 9.29 ? 232 GLU X OE1 1 ATOM 1125 O OE2 . GLU A 1 147 ? 48.076 45.408 22.727 1.00 9.49 ? 232 GLU X OE2 1 ATOM 1126 N N . TYR A 1 148 ? 49.770 40.589 25.186 1.00 7.19 ? 233 TYR X N 1 ATOM 1127 C CA . TYR A 1 148 ? 50.883 39.835 24.615 1.00 7.86 ? 233 TYR X CA 1 ATOM 1128 C C . TYR A 1 148 ? 50.442 38.424 24.218 1.00 8.07 ? 233 TYR X C 1 ATOM 1129 O O . TYR A 1 148 ? 50.741 37.951 23.124 1.00 9.00 ? 233 TYR X O 1 ATOM 1130 C CB . TYR A 1 148 ? 51.992 39.771 25.663 1.00 7.99 ? 233 TYR X CB 1 ATOM 1131 C CG . TYR A 1 148 ? 53.230 39.011 25.250 1.00 8.27 ? 233 TYR X CG 1 ATOM 1132 C CD1 . TYR A 1 148 ? 53.919 39.321 24.079 1.00 8.97 ? 233 TYR X CD1 1 ATOM 1133 C CD2 . TYR A 1 148 ? 53.763 38.041 26.074 1.00 10.19 ? 233 TYR X CD2 1 ATOM 1134 C CE1 . TYR A 1 148 ? 55.074 38.641 23.728 1.00 9.05 ? 233 TYR X CE1 1 ATOM 1135 C CE2 . TYR A 1 148 ? 54.902 37.364 25.733 1.00 11.78 ? 233 TYR X CE2 1 ATOM 1136 C CZ . TYR A 1 148 ? 55.571 37.673 24.566 1.00 9.19 ? 233 TYR X CZ 1 ATOM 1137 O OH . TYR A 1 148 ? 56.719 36.953 24.255 1.00 11.05 ? 233 TYR X OH 1 ATOM 1138 N N . SER A 1 149 ? 49.706 37.771 25.113 1.00 7.08 ? 234 SER X N 1 ATOM 1139 C CA . SER A 1 149 ? 49.272 36.395 24.890 1.00 7.20 ? 234 SER X CA 1 ATOM 1140 C C . SER A 1 149 ? 48.262 36.339 23.737 1.00 7.53 ? 234 SER X C 1 ATOM 1141 O O . SER A 1 149 ? 48.292 35.457 22.870 1.00 7.48 ? 234 SER X O 1 ATOM 1142 C CB . SER A 1 149 ? 48.649 35.833 26.170 1.00 8.21 ? 234 SER X CB 1 ATOM 1143 O OG . SER A 1 149 ? 49.610 35.795 27.208 1.00 8.40 ? 234 SER X OG 1 ATOM 1144 N N . CYS A 1 150 ? 47.340 37.295 23.738 1.00 6.92 ? 235 CYS X N 1 ATOM 1145 C CA . CYS A 1 150 ? 46.333 37.415 22.684 1.00 7.03 ? 235 CYS X CA 1 ATOM 1146 C C . CYS A 1 150 ? 46.996 37.483 21.314 1.00 6.88 ? 235 CYS X C 1 ATOM 1147 O O . CYS A 1 150 ? 46.596 36.812 20.357 1.00 7.29 ? 235 CYS X O 1 ATOM 1148 C CB . CYS A 1 150 ? 45.530 38.698 22.922 1.00 7.87 ? 235 CYS X CB 1 ATOM 1149 S SG . CYS A 1 150 ? 44.147 39.009 21.799 1.00 7.85 ? 235 CYS X SG 1 ATOM 1150 N N . ARG A 1 151 ? 48.046 38.293 21.223 1.00 7.36 ? 236 ARG X N 1 ATOM 1151 C CA . ARG A 1 151 ? 48.703 38.542 19.935 1.00 7.46 ? 236 ARG X CA 1 ATOM 1152 C C . ARG A 1 151 ? 49.408 37.308 19.386 1.00 7.98 ? 236 ARG X C 1 ATOM 1153 O O . ARG A 1 151 ? 49.671 37.219 18.191 1.00 7.86 ? 236 ARG X O 1 ATOM 1154 C CB . ARG A 1 151 ? 49.670 39.734 20.052 1.00 8.14 ? 236 ARG X CB 1 ATOM 1155 C CG . ARG A 1 151 ? 48.942 41.064 20.278 1.00 7.84 ? 236 ARG X CG 1 ATOM 1156 C CD . ARG A 1 151 ? 49.878 42.243 20.425 1.00 8.92 ? 236 ARG X CD 1 ATOM 1157 N NE . ARG A 1 151 ? 49.192 43.537 20.547 1.00 10.22 ? 236 ARG X NE 1 ATOM 1158 C CZ . ARG A 1 151 ? 48.658 44.208 19.527 1.00 10.76 ? 236 ARG X CZ 1 ATOM 1159 N NH1 . ARG A 1 151 ? 48.677 43.702 18.291 1.00 9.05 ? 236 ARG X NH1 1 ATOM 1160 N NH2 . ARG A 1 151 ? 48.086 45.391 19.733 1.00 12.12 ? 236 ARG X NH2 1 ATOM 1161 N N . GLY A 1 152 ? 49.731 36.355 20.253 1.00 8.37 ? 237 GLY X N 1 ATOM 1162 C CA . GLY A 1 152 ? 50.151 35.030 19.788 1.00 8.29 ? 237 GLY X CA 1 ATOM 1163 C C . GLY A 1 152 ? 51.398 35.037 18.909 1.00 9.01 ? 237 GLY X C 1 ATOM 1164 O O . GLY A 1 152 ? 51.506 34.255 17.947 1.00 9.77 ? 237 GLY X O 1 ATOM 1165 N N . GLY A 1 153 ? 52.329 35.932 19.233 1.00 9.11 ? 238 GLY X N 1 ATOM 1166 C CA . GLY A 1 153 ? 53.633 35.957 18.586 1.00 9.21 ? 238 GLY X CA 1 ATOM 1167 C C . GLY A 1 153 ? 53.684 36.746 17.308 1.00 10.13 ? 238 GLY X C 1 ATOM 1168 O O . GLY A 1 153 ? 54.723 36.764 16.650 1.00 10.58 ? 238 GLY X O 1 ATOM 1169 N N . LEU A 1 154 ? 52.583 37.413 16.953 1.00 9.00 ? 239 LEU X N 1 ATOM 1170 C CA . LEU A 1 154 ? 52.539 38.297 15.787 1.00 9.34 ? 239 LEU X CA 1 ATOM 1171 C C . LEU A 1 154 ? 52.656 39.749 16.220 1.00 10.48 ? 239 LEU X C 1 ATOM 1172 O O . LEU A 1 154 ? 52.228 40.124 17.307 1.00 10.64 ? 239 LEU X O 1 ATOM 1173 C CB . LEU A 1 154 ? 51.233 38.111 15.020 1.00 9.55 ? 239 LEU X CB 1 ATOM 1174 C CG . LEU A 1 154 ? 50.952 36.679 14.549 1.00 9.48 ? 239 LEU X CG 1 ATOM 1175 C CD1 . LEU A 1 154 ? 49.601 36.575 13.902 1.00 10.86 ? 239 LEU X CD1 1 ATOM 1176 C CD2 . LEU A 1 154 ? 52.011 36.160 13.619 1.00 10.62 ? 239 LEU X CD2 1 ATOM 1177 N N . HIS A 1 155 ? 53.216 40.574 15.339 1.00 11.34 ? 240 HIS X N 1 ATOM 1178 C CA . HIS A 1 155 ? 53.467 41.978 15.627 1.00 11.72 ? 240 HIS X CA 1 ATOM 1179 C C . HIS A 1 155 ? 52.441 42.886 14.966 1.00 12.40 ? 240 HIS X C 1 ATOM 1180 O O . HIS A 1 155 ? 52.249 42.855 13.738 1.00 13.10 ? 240 HIS X O 1 ATOM 1181 C CB . HIS A 1 155 ? 54.862 42.353 15.122 1.00 12.87 ? 240 HIS X CB 1 ATOM 1182 C CG . HIS A 1 155 ? 55.156 43.820 15.196 1.00 14.56 ? 240 HIS X CG 1 ATOM 1183 N ND1 . HIS A 1 155 ? 55.305 44.485 16.394 1.00 17.96 ? 240 HIS X ND1 1 ATOM 1184 C CD2 . HIS A 1 155 ? 55.343 44.747 14.224 1.00 18.05 ? 240 HIS X CD2 1 ATOM 1185 C CE1 . HIS A 1 155 ? 55.556 45.761 16.157 1.00 19.80 ? 240 HIS X CE1 1 ATOM 1186 N NE2 . HIS A 1 155 ? 55.595 45.946 14.849 1.00 19.44 ? 240 HIS X NE2 1 ATOM 1187 N N . ASN A 1 156 ? 51.787 43.711 15.781 1.00 12.69 ? 241 ASN X N 1 ATOM 1188 C CA . ASN A 1 156 ? 50.924 44.799 15.300 1.00 12.79 ? 241 ASN X CA 1 ATOM 1189 C C . ASN A 1 156 ? 49.802 44.360 14.368 1.00 12.58 ? 241 ASN X C 1 ATOM 1190 O O . ASN A 1 156 ? 49.438 45.076 13.426 1.00 13.84 ? 241 ASN X O 1 ATOM 1191 C CB A ASN A 1 156 ? 51.775 45.894 14.652 0.50 13.11 ? 241 ASN X CB 1 ATOM 1192 C CB B ASN A 1 156 ? 51.753 45.907 14.622 0.50 13.42 ? 241 ASN X CB 1 ATOM 1193 C CG A ASN A 1 156 ? 51.022 47.197 14.472 0.50 13.40 ? 241 ASN X CG 1 ATOM 1194 C CG B ASN A 1 156 ? 52.552 46.735 15.609 0.50 14.38 ? 241 ASN X CG 1 ATOM 1195 O OD1 A ASN A 1 156 ? 50.193 47.586 15.300 0.50 12.46 ? 241 ASN X OD1 1 ATOM 1196 O OD1 B ASN A 1 156 ? 52.354 46.649 16.822 0.50 16.83 ? 241 ASN X OD1 1 ATOM 1197 N ND2 A ASN A 1 156 ? 51.312 47.883 13.384 0.50 15.13 ? 241 ASN X ND2 1 ATOM 1198 N ND2 B ASN A 1 156 ? 53.460 47.558 15.088 0.50 18.11 ? 241 ASN X ND2 1 ATOM 1199 N N . ARG A 1 157 ? 49.218 43.192 14.668 1.00 11.10 ? 242 ARG X N 1 ATOM 1200 C CA . ARG A 1 157 ? 48.062 42.697 13.931 1.00 10.90 ? 242 ARG X CA 1 ATOM 1201 C C . ARG A 1 157 ? 46.785 42.968 14.707 1.00 10.09 ? 242 ARG X C 1 ATOM 1202 O O . ARG A 1 157 ? 46.811 43.146 15.930 1.00 10.73 ? 242 ARG X O 1 ATOM 1203 C CB . ARG A 1 157 ? 48.171 41.193 13.672 1.00 11.70 ? 242 ARG X CB 1 ATOM 1204 C CG . ARG A 1 157 ? 49.457 40.747 13.044 1.00 13.61 ? 242 ARG X CG 1 ATOM 1205 C CD . ARG A 1 157 ? 49.697 41.259 11.638 1.00 18.43 ? 242 ARG X CD 1 ATOM 1206 N NE . ARG A 1 157 ? 50.438 40.241 10.890 1.00 22.21 ? 242 ARG X NE 1 ATOM 1207 C CZ . ARG A 1 157 ? 51.698 39.880 11.149 1.00 24.63 ? 242 ARG X CZ 1 ATOM 1208 N NH1 . ARG A 1 157 ? 52.378 40.483 12.114 1.00 26.85 ? 242 ARG X NH1 1 ATOM 1209 N NH2 . ARG A 1 157 ? 52.290 38.900 10.460 1.00 23.85 ? 242 ARG X NH2 1 ATOM 1210 N N . LEU A 1 158 ? 45.663 42.960 13.994 1.00 9.54 ? 243 LEU X N 1 ATOM 1211 C CA . LEU A 1 158 ? 44.375 43.230 14.611 1.00 9.11 ? 243 LEU X CA 1 ATOM 1212 C C . LEU A 1 158 ? 43.925 42.123 15.543 1.00 8.67 ? 243 LEU X C 1 ATOM 1213 O O . LEU A 1 158 ? 43.413 42.402 16.639 1.00 8.84 ? 243 LEU X O 1 ATOM 1214 C CB . LEU A 1 158 ? 43.302 43.435 13.541 1.00 9.38 ? 243 LEU X CB 1 ATOM 1215 C CG . LEU A 1 158 ? 43.451 44.659 12.655 1.00 10.27 ? 243 LEU X CG 1 ATOM 1216 C CD1 . LEU A 1 158 ? 42.514 44.603 11.469 1.00 12.20 ? 243 LEU X CD1 1 ATOM 1217 C CD2 . LEU A 1 158 ? 43.174 45.895 13.513 1.00 12.36 ? 243 LEU X CD2 1 ATOM 1218 N N . PHE A 1 159 ? 44.097 40.872 15.086 1.00 7.84 ? 244 PHE X N 1 ATOM 1219 C CA . PHE A 1 159 ? 43.539 39.690 15.733 1.00 7.51 ? 244 PHE X CA 1 ATOM 1220 C C . PHE A 1 159 ? 44.651 38.716 16.065 1.00 7.40 ? 244 PHE X C 1 ATOM 1221 O O . PHE A 1 159 ? 45.756 38.824 15.520 1.00 7.66 ? 244 PHE X O 1 ATOM 1222 C CB . PHE A 1 159 ? 42.568 39.002 14.787 1.00 7.50 ? 244 PHE X CB 1 ATOM 1223 C CG . PHE A 1 159 ? 41.560 39.959 14.178 1.00 7.69 ? 244 PHE X CG 1 ATOM 1224 C CD1 . PHE A 1 159 ? 40.737 40.727 14.987 1.00 9.45 ? 244 PHE X CD1 1 ATOM 1225 C CD2 . PHE A 1 159 ? 41.475 40.118 12.800 1.00 8.62 ? 244 PHE X CD2 1 ATOM 1226 C CE1 . PHE A 1 159 ? 39.841 41.637 14.432 1.00 8.91 ? 244 PHE X CE1 1 ATOM 1227 C CE2 . PHE A 1 159 ? 40.572 41.014 12.242 1.00 9.89 ? 244 PHE X CE2 1 ATOM 1228 C CZ . PHE A 1 159 ? 39.745 41.762 13.067 1.00 9.68 ? 244 PHE X CZ 1 ATOM 1229 N N . PRO A 1 160 ? 44.356 37.750 16.944 1.00 7.74 ? 245 PRO X N 1 ATOM 1230 C CA . PRO A 1 160 ? 45.366 36.755 17.289 1.00 8.05 ? 245 PRO X CA 1 ATOM 1231 C C . PRO A 1 160 ? 46.019 36.050 16.098 1.00 9.16 ? 245 PRO X C 1 ATOM 1232 O O . PRO A 1 160 ? 47.154 35.581 16.222 1.00 10.56 ? 245 PRO X O 1 ATOM 1233 C CB . PRO A 1 160 ? 44.588 35.760 18.151 1.00 8.41 ? 245 PRO X CB 1 ATOM 1234 C CG . PRO A 1 160 ? 43.546 36.604 18.813 1.00 7.61 ? 245 PRO X CG 1 ATOM 1235 C CD . PRO A 1 160 ? 43.136 37.593 17.754 1.00 7.93 ? 245 PRO X CD 1 ATOM 1236 N N . TRP A 1 161 ? 45.293 35.961 14.991 1.00 8.77 ? 246 TRP X N 1 ATOM 1237 C CA . TRP A 1 161 ? 45.687 35.180 13.831 1.00 9.81 ? 246 TRP X CA 1 ATOM 1238 C C . TRP A 1 161 ? 46.182 36.040 12.678 1.00 10.50 ? 246 TRP X C 1 ATOM 1239 O O . TRP A 1 161 ? 46.637 35.482 11.674 1.00 13.09 ? 246 TRP X O 1 ATOM 1240 C CB . TRP A 1 161 ? 44.505 34.316 13.368 1.00 9.56 ? 246 TRP X CB 1 ATOM 1241 C CG . TRP A 1 161 ? 43.279 35.093 13.150 1.00 9.60 ? 246 TRP X CG 1 ATOM 1242 C CD1 . TRP A 1 161 ? 42.924 35.777 12.020 1.00 9.67 ? 246 TRP X CD1 1 ATOM 1243 C CD2 . TRP A 1 161 ? 42.226 35.293 14.085 1.00 9.25 ? 246 TRP X CD2 1 ATOM 1244 N NE1 . TRP A 1 161 ? 41.740 36.417 12.211 1.00 10.19 ? 246 TRP X NE1 1 ATOM 1245 C CE2 . TRP A 1 161 ? 41.272 36.125 13.469 1.00 9.08 ? 246 TRP X CE2 1 ATOM 1246 C CE3 . TRP A 1 161 ? 42.007 34.876 15.395 1.00 9.02 ? 246 TRP X CE3 1 ATOM 1247 C CZ2 . TRP A 1 161 ? 40.100 36.522 14.113 1.00 9.54 ? 246 TRP X CZ2 1 ATOM 1248 C CZ3 . TRP A 1 161 ? 40.848 35.267 16.034 1.00 9.50 ? 246 TRP X CZ3 1 ATOM 1249 C CH2 . TRP A 1 161 ? 39.910 36.092 15.396 1.00 8.76 ? 246 TRP X CH2 1 ATOM 1250 N N . GLY A 1 162 ? 46.097 37.375 12.792 1.00 9.63 ? 247 GLY X N 1 ATOM 1251 C CA . GLY A 1 162 ? 46.451 38.262 11.679 1.00 9.80 ? 247 GLY X CA 1 ATOM 1252 C C . GLY A 1 162 ? 45.455 39.392 11.505 1.00 10.15 ? 247 GLY X C 1 ATOM 1253 O O . GLY A 1 162 ? 44.794 39.792 12.466 1.00 9.75 ? 247 GLY X O 1 ATOM 1254 N N . ASN A 1 163 ? 45.361 39.920 10.286 1.00 11.27 ? 248 ASN X N 1 ATOM 1255 C CA . ASN A 1 163 ? 44.518 41.090 10.003 1.00 11.16 ? 248 ASN X CA 1 ATOM 1256 C C . ASN A 1 163 ? 43.198 40.817 9.306 1.00 11.81 ? 248 ASN X C 1 ATOM 1257 O O . ASN A 1 163 ? 42.374 41.726 9.219 1.00 13.63 ? 248 ASN X O 1 ATOM 1258 C CB . ASN A 1 163 ? 45.295 42.133 9.177 1.00 11.60 ? 248 ASN X CB 1 ATOM 1259 C CG . ASN A 1 163 ? 46.366 42.817 9.969 1.00 12.21 ? 248 ASN X CG 1 ATOM 1260 O OD1 . ASN A 1 163 ? 46.317 42.851 11.189 1.00 13.62 ? 248 ASN X OD1 1 ATOM 1261 N ND2 . ASN A 1 163 ? 47.373 43.344 9.277 1.00 16.93 ? 248 ASN X ND2 1 ATOM 1262 N N . LYS A 1 164 ? 42.988 39.609 8.794 1.00 11.70 ? 249 LYS X N 1 ATOM 1263 C CA . LYS A 1 164 ? 41.727 39.260 8.130 1.00 12.47 ? 249 LYS X CA 1 ATOM 1264 C C . LYS A 1 164 ? 40.774 38.674 9.158 1.00 11.60 ? 249 LYS X C 1 ATOM 1265 O O . LYS A 1 164 ? 41.177 37.807 9.934 1.00 11.67 ? 249 LYS X O 1 ATOM 1266 C CB . LYS A 1 164 ? 41.964 38.209 7.035 1.00 13.91 ? 249 LYS X CB 1 ATOM 1267 C CG . LYS A 1 164 ? 42.637 38.724 5.755 1.00 17.03 ? 249 LYS X CG 1 ATOM 1268 C CD . LYS A 1 164 ? 41.653 39.478 4.871 1.00 20.78 ? 249 LYS X CD 1 ATOM 1269 C CE . LYS A 1 164 ? 42.177 39.728 3.466 1.00 22.41 ? 249 LYS X CE 1 ATOM 1270 N NZ . LYS A 1 164 ? 41.595 40.958 2.784 1.00 24.61 ? 249 LYS X NZ 1 ATOM 1271 N N . LEU A 1 165 ? 39.514 39.101 9.156 1.00 11.19 ? 250 LEU X N 1 ATOM 1272 C CA . LEU A 1 165 ? 38.543 38.543 10.106 1.00 11.60 ? 250 LEU X CA 1 ATOM 1273 C C . LEU A 1 165 ? 38.290 37.068 9.872 1.00 11.40 ? 250 LEU X C 1 ATOM 1274 O O . LEU A 1 165 ? 38.189 36.303 10.832 1.00 11.54 ? 250 LEU X O 1 ATOM 1275 C CB . LEU A 1 165 ? 37.223 39.312 10.062 1.00 11.27 ? 250 LEU X CB 1 ATOM 1276 C CG . LEU A 1 165 ? 36.121 38.797 10.998 1.00 12.80 ? 250 LEU X CG 1 ATOM 1277 C CD1 . LEU A 1 165 ? 36.575 38.791 12.448 1.00 13.26 ? 250 LEU X CD1 1 ATOM 1278 C CD2 . LEU A 1 165 ? 34.827 39.620 10.815 1.00 13.31 ? 250 LEU X CD2 1 ATOM 1279 N N . GLN A 1 166 ? 38.185 36.673 8.603 1.00 11.58 ? 251 GLN X N 1 ATOM 1280 C CA . GLN A 1 166 ? 37.918 35.283 8.219 1.00 12.57 ? 251 GLN X CA 1 ATOM 1281 C C . GLN A 1 166 ? 39.010 34.757 7.310 1.00 13.19 ? 251 GLN X C 1 ATOM 1282 O O . GLN A 1 166 ? 38.815 34.633 6.088 1.00 13.69 ? 251 GLN X O 1 ATOM 1283 C CB . GLN A 1 166 ? 36.601 35.166 7.465 1.00 13.32 ? 251 GLN X CB 1 ATOM 1284 C CG . GLN A 1 166 ? 35.399 35.230 8.310 1.00 15.81 ? 251 GLN X CG 1 ATOM 1285 C CD . GLN A 1 166 ? 34.114 35.113 7.488 1.00 19.02 ? 251 GLN X CD 1 ATOM 1286 O OE1 . GLN A 1 166 ? 33.681 34.015 7.118 1.00 22.68 ? 251 GLN X OE1 1 ATOM 1287 N NE2 . GLN A 1 166 ? 33.501 36.248 7.217 1.00 24.62 ? 251 GLN X NE2 1 ATOM 1288 N N . PRO A 1 167 ? 40.162 34.431 7.888 1.00 13.55 ? 252 PRO X N 1 ATOM 1289 C CA . PRO A 1 167 ? 41.239 33.995 7.026 1.00 13.36 ? 252 PRO X CA 1 ATOM 1290 C C . PRO A 1 167 ? 40.828 32.709 6.335 1.00 12.44 ? 252 PRO X C 1 ATOM 1291 O O . PRO A 1 167 ? 40.262 31.806 6.963 1.00 12.33 ? 252 PRO X O 1 ATOM 1292 C CB . PRO A 1 167 ? 42.404 33.749 7.979 1.00 14.65 ? 252 PRO X CB 1 ATOM 1293 C CG . PRO A 1 167 ? 41.867 33.802 9.325 1.00 14.70 ? 252 PRO X CG 1 ATOM 1294 C CD . PRO A 1 167 ? 40.508 34.389 9.318 1.00 13.70 ? 252 PRO X CD 1 ATOM 1295 N N A LYS A 1 168 ? 41.088 32.638 5.034 0.70 12.38 ? 253 LYS X N 1 ATOM 1296 N N B LYS A 1 168 ? 41.093 32.642 5.032 0.30 11.83 ? 253 LYS X N 1 ATOM 1297 C CA A LYS A 1 168 ? 40.780 31.444 4.243 0.70 12.58 ? 253 LYS X CA 1 ATOM 1298 C CA B LYS A 1 168 ? 40.785 31.460 4.224 0.30 11.32 ? 253 LYS X CA 1 ATOM 1299 C C A LYS A 1 168 ? 39.288 31.129 4.247 0.70 11.35 ? 253 LYS X C 1 ATOM 1300 C C B LYS A 1 168 ? 39.294 31.130 4.244 0.30 10.91 ? 253 LYS X C 1 ATOM 1301 O O A LYS A 1 168 ? 38.889 29.991 4.028 0.70 11.97 ? 253 LYS X O 1 ATOM 1302 O O B LYS A 1 168 ? 38.904 29.982 4.040 0.30 11.19 ? 253 LYS X O 1 ATOM 1303 C CB A LYS A 1 168 ? 41.576 30.237 4.753 0.70 12.80 ? 253 LYS X CB 1 ATOM 1304 C CB B LYS A 1 168 ? 41.592 30.252 4.709 0.30 11.37 ? 253 LYS X CB 1 ATOM 1305 C CG A LYS A 1 168 ? 43.072 30.423 4.706 0.70 14.23 ? 253 LYS X CG 1 ATOM 1306 C CG B LYS A 1 168 ? 43.085 30.505 4.842 0.30 11.20 ? 253 LYS X CG 1 ATOM 1307 C CD A LYS A 1 168 ? 43.818 29.166 5.158 0.70 16.00 ? 253 LYS X CD 1 ATOM 1308 C CD B LYS A 1 168 ? 43.735 29.542 5.825 0.30 11.00 ? 253 LYS X CD 1 ATOM 1309 C CE A LYS A 1 168 ? 45.214 29.088 4.568 0.70 19.24 ? 253 LYS X CE 1 ATOM 1310 C CE B LYS A 1 168 ? 43.447 29.929 7.262 0.30 10.27 ? 253 LYS X CE 1 ATOM 1311 N NZ A LYS A 1 168 ? 45.628 27.668 4.326 0.70 22.81 ? 253 LYS X NZ 1 ATOM 1312 N NZ B LYS A 1 168 ? 43.705 28.799 8.173 0.30 8.29 ? 253 LYS X NZ 1 ATOM 1313 N N . GLY A 1 169 ? 38.468 32.139 4.497 1.00 10.70 ? 254 GLY X N 1 ATOM 1314 C CA . GLY A 1 169 ? 37.038 31.952 4.553 1.00 10.05 ? 254 GLY X CA 1 ATOM 1315 C C . GLY A 1 169 ? 36.509 31.238 5.782 1.00 9.94 ? 254 GLY X C 1 ATOM 1316 O O . GLY A 1 169 ? 35.355 30.830 5.806 1.00 11.22 ? 254 GLY X O 1 ATOM 1317 N N . GLN A 1 170 ? 37.348 31.109 6.809 1.00 9.65 ? 255 GLN X N 1 ATOM 1318 C CA . GLN A 1 170 ? 37.008 30.354 8.017 1.00 10.17 ? 255 GLN X CA 1 ATOM 1319 C C . GLN A 1 170 ? 36.728 31.300 9.169 1.00 9.20 ? 255 GLN X C 1 ATOM 1320 O O . GLN A 1 170 ? 37.393 32.326 9.309 1.00 8.75 ? 255 GLN X O 1 ATOM 1321 C CB . GLN A 1 170 ? 38.178 29.462 8.424 1.00 9.84 ? 255 GLN X CB 1 ATOM 1322 C CG . GLN A 1 170 ? 38.512 28.404 7.364 1.00 11.75 ? 255 GLN X CG 1 ATOM 1323 C CD . GLN A 1 170 ? 39.912 27.814 7.498 1.00 13.81 ? 255 GLN X CD 1 ATOM 1324 O OE1 . GLN A 1 170 ? 40.778 28.326 8.238 1.00 19.40 ? 255 GLN X OE1 1 ATOM 1325 N NE2 . GLN A 1 170 ? 40.151 26.742 6.776 1.00 18.28 ? 255 GLN X NE2 1 ATOM 1326 N N . HIS A 1 171 ? 35.752 30.943 10.002 1.00 9.21 ? 256 HIS X N 1 ATOM 1327 C CA . HIS A 1 171 ? 35.560 31.654 11.264 1.00 9.01 ? 256 HIS X CA 1 ATOM 1328 C C . HIS A 1 171 ? 36.629 31.267 12.272 1.00 8.73 ? 256 HIS X C 1 ATOM 1329 O O . HIS A 1 171 ? 36.929 30.067 12.444 1.00 8.79 ? 256 HIS X O 1 ATOM 1330 C CB . HIS A 1 171 ? 34.153 31.417 11.825 1.00 9.26 ? 256 HIS X CB 1 ATOM 1331 C CG . HIS A 1 171 ? 33.110 32.224 11.112 1.00 9.62 ? 256 HIS X CG 1 ATOM 1332 N ND1 . HIS A 1 171 ? 32.985 33.580 11.298 1.00 11.35 ? 256 HIS X ND1 1 ATOM 1333 C CD2 . HIS A 1 171 ? 32.208 31.892 10.154 1.00 12.24 ? 256 HIS X CD2 1 ATOM 1334 C CE1 . HIS A 1 171 ? 32.036 34.049 10.506 1.00 13.08 ? 256 HIS X CE1 1 ATOM 1335 N NE2 . HIS A 1 171 ? 31.551 33.044 9.800 1.00 10.66 ? 256 HIS X NE2 1 ATOM 1336 N N . TYR A 1 172 ? 37.216 32.289 12.919 1.00 8.02 ? 257 TYR X N 1 ATOM 1337 C CA . TYR A 1 172 ? 38.313 32.083 13.880 1.00 7.90 ? 257 TYR X CA 1 ATOM 1338 C C . TYR A 1 172 ? 37.955 32.467 15.313 1.00 8.15 ? 257 TYR X C 1 ATOM 1339 O O . TYR A 1 172 ? 38.758 32.242 16.219 1.00 8.04 ? 257 TYR X O 1 ATOM 1340 C CB . TYR A 1 172 ? 39.581 32.821 13.416 1.00 8.56 ? 257 TYR X CB 1 ATOM 1341 C CG . TYR A 1 172 ? 40.566 31.937 12.662 1.00 10.04 ? 257 TYR X CG 1 ATOM 1342 C CD1 . TYR A 1 172 ? 40.188 31.254 11.521 1.00 13.07 ? 257 TYR X CD1 1 ATOM 1343 C CD2 . TYR A 1 172 ? 41.858 31.751 13.134 1.00 11.13 ? 257 TYR X CD2 1 ATOM 1344 C CE1 . TYR A 1 172 ? 41.081 30.426 10.849 1.00 12.10 ? 257 TYR X CE1 1 ATOM 1345 C CE2 . TYR A 1 172 ? 42.758 30.932 12.480 1.00 12.18 ? 257 TYR X CE2 1 ATOM 1346 C CZ . TYR A 1 172 ? 42.371 30.274 11.339 1.00 12.23 ? 257 TYR X CZ 1 ATOM 1347 O OH . TYR A 1 172 ? 43.260 29.441 10.686 1.00 14.35 ? 257 TYR X OH 1 ATOM 1348 N N . ALA A 1 173 ? 36.751 33.012 15.515 1.00 7.25 ? 258 ALA X N 1 ATOM 1349 C CA . ALA A 1 173 ? 36.293 33.427 16.844 1.00 6.72 ? 258 ALA X CA 1 ATOM 1350 C C . ALA A 1 173 ? 34.798 33.554 16.860 1.00 6.88 ? 258 ALA X C 1 ATOM 1351 O O . ALA A 1 173 ? 34.161 33.730 15.821 1.00 7.41 ? 258 ALA X O 1 ATOM 1352 C CB . ALA A 1 173 ? 36.914 34.749 17.264 1.00 7.39 ? 258 ALA X CB 1 ATOM 1353 N N . ASN A 1 174 ? 34.239 33.466 18.058 1.00 6.43 ? 259 ASN X N 1 ATOM 1354 C CA . ASN A 1 174 ? 32.800 33.592 18.264 1.00 6.06 ? 259 ASN X CA 1 ATOM 1355 C C . ASN A 1 174 ? 32.410 35.025 18.595 1.00 6.29 ? 259 ASN X C 1 ATOM 1356 O O . ASN A 1 174 ? 32.555 35.465 19.718 1.00 6.77 ? 259 ASN X O 1 ATOM 1357 C CB . ASN A 1 174 ? 32.351 32.653 19.380 1.00 6.20 ? 259 ASN X CB 1 ATOM 1358 C CG . ASN A 1 174 ? 30.882 32.730 19.665 1.00 6.41 ? 259 ASN X CG 1 ATOM 1359 O OD1 . ASN A 1 174 ? 30.111 33.170 18.819 1.00 6.60 ? 259 ASN X OD1 1 ATOM 1360 N ND2 . ASN A 1 174 ? 30.464 32.290 20.863 1.00 6.97 ? 259 ASN X ND2 1 ATOM 1361 N N . ILE A 1 175 ? 31.932 35.747 17.586 1.00 7.12 ? 260 ILE X N 1 ATOM 1362 C CA . ILE A 1 175 ? 31.406 37.096 17.727 1.00 6.65 ? 260 ILE X CA 1 ATOM 1363 C C . ILE A 1 175 ? 29.991 37.119 17.078 1.00 7.04 ? 260 ILE X C 1 ATOM 1364 O O . ILE A 1 175 ? 29.372 36.067 16.886 1.00 6.57 ? 260 ILE X O 1 ATOM 1365 C CB . ILE A 1 175 ? 32.407 38.136 17.138 1.00 7.59 ? 260 ILE X CB 1 ATOM 1366 C CG1 . ILE A 1 175 ? 32.679 37.900 15.657 1.00 7.22 ? 260 ILE X CG1 1 ATOM 1367 C CG2 . ILE A 1 175 ? 33.715 38.057 17.891 1.00 6.72 ? 260 ILE X CG2 1 ATOM 1368 C CD1 . ILE A 1 175 ? 33.340 39.086 14.979 1.00 9.06 ? 260 ILE X CD1 1 ATOM 1369 N N . TRP A 1 176 ? 29.489 38.297 16.735 1.00 7.36 ? 261 TRP X N 1 ATOM 1370 C CA . TRP A 1 176 ? 28.140 38.434 16.198 1.00 7.96 ? 261 TRP X CA 1 ATOM 1371 C C . TRP A 1 176 ? 28.176 38.500 14.691 1.00 8.82 ? 261 TRP X C 1 ATOM 1372 O O . TRP A 1 176 ? 29.056 39.152 14.143 1.00 9.17 ? 261 TRP X O 1 ATOM 1373 C CB . TRP A 1 176 ? 27.565 39.750 16.689 1.00 8.93 ? 261 TRP X CB 1 ATOM 1374 C CG . TRP A 1 176 ? 26.116 40.018 16.399 1.00 9.28 ? 261 TRP X CG 1 ATOM 1375 C CD1 . TRP A 1 176 ? 25.584 40.471 15.231 1.00 10.75 ? 261 TRP X CD1 1 ATOM 1376 C CD2 . TRP A 1 176 ? 25.034 39.930 17.332 1.00 9.69 ? 261 TRP X CD2 1 ATOM 1377 N NE1 . TRP A 1 176 ? 24.222 40.637 15.371 1.00 11.03 ? 261 TRP X NE1 1 ATOM 1378 C CE2 . TRP A 1 176 ? 23.861 40.309 16.652 1.00 10.82 ? 261 TRP X CE2 1 ATOM 1379 C CE3 . TRP A 1 176 ? 24.939 39.536 18.670 1.00 10.68 ? 261 TRP X CE3 1 ATOM 1380 C CZ2 . TRP A 1 176 ? 22.614 40.327 17.269 1.00 11.67 ? 261 TRP X CZ2 1 ATOM 1381 C CZ3 . TRP A 1 176 ? 23.708 39.567 19.282 1.00 10.62 ? 261 TRP X CZ3 1 ATOM 1382 C CH2 . TRP A 1 176 ? 22.563 39.962 18.588 1.00 10.31 ? 261 TRP X CH2 1 ATOM 1383 N N . GLN A 1 177 ? 27.233 37.835 14.029 1.00 8.74 ? 262 GLN X N 1 ATOM 1384 C CA . GLN A 1 177 ? 26.975 38.099 12.609 1.00 9.44 ? 262 GLN X CA 1 ATOM 1385 C C . GLN A 1 177 ? 25.517 38.471 12.498 1.00 10.81 ? 262 GLN X C 1 ATOM 1386 O O . GLN A 1 177 ? 24.686 37.908 13.203 1.00 10.13 ? 262 GLN X O 1 ATOM 1387 C CB . GLN A 1 177 ? 27.276 36.890 11.730 1.00 9.35 ? 262 GLN X CB 1 ATOM 1388 C CG . GLN A 1 177 ? 28.741 36.457 11.734 1.00 8.31 ? 262 GLN X CG 1 ATOM 1389 C CD . GLN A 1 177 ? 29.050 35.524 12.865 1.00 7.59 ? 262 GLN X CD 1 ATOM 1390 O OE1 . GLN A 1 177 ? 28.227 34.659 13.197 1.00 7.54 ? 262 GLN X OE1 1 ATOM 1391 N NE2 . GLN A 1 177 ? 30.241 35.678 13.479 1.00 8.53 ? 262 GLN X NE2 1 ATOM 1392 N N . GLY A 1 178 ? 25.232 39.433 11.626 1.00 12.12 ? 263 GLY X N 1 ATOM 1393 C CA . GLY A 1 178 ? 23.862 39.911 11.425 1.00 14.12 ? 263 GLY X CA 1 ATOM 1394 C C . GLY A 1 178 ? 23.744 41.365 11.804 1.00 16.06 ? 263 GLY X C 1 ATOM 1395 O O . GLY A 1 178 ? 24.735 42.085 11.831 1.00 17.90 ? 263 GLY X O 1 ATOM 1396 N N . GLU A 1 179 ? 22.524 41.798 12.095 1.00 17.89 ? 264 GLU X N 1 ATOM 1397 C CA . GLU A 1 179 ? 22.244 43.172 12.487 1.00 19.91 ? 264 GLU X CA 1 ATOM 1398 C C . GLU A 1 179 ? 22.131 43.257 14.011 1.00 18.80 ? 264 GLU X C 1 ATOM 1399 O O . GLU A 1 179 ? 21.140 42.815 14.573 1.00 19.22 ? 264 GLU X O 1 ATOM 1400 C CB . GLU A 1 179 ? 20.926 43.613 11.845 1.00 20.24 ? 264 GLU X CB 1 ATOM 1401 C CG . GLU A 1 179 ? 20.602 45.064 12.092 1.00 23.99 ? 264 GLU X CG 1 ATOM 1402 C CD . GLU A 1 179 ? 19.412 45.552 11.305 1.00 25.37 ? 264 GLU X CD 1 ATOM 1403 O OE1 . GLU A 1 179 ? 18.642 44.703 10.785 1.00 31.81 ? 264 GLU X OE1 1 ATOM 1404 O OE2 . GLU A 1 179 ? 19.254 46.792 11.212 1.00 32.77 ? 264 GLU X OE2 1 ATOM 1405 N N . PHE A 1 180 ? 23.140 43.816 14.670 1.00 18.97 ? 265 PHE X N 1 ATOM 1406 C CA . PHE A 1 180 ? 23.108 43.921 16.135 1.00 19.57 ? 265 PHE X CA 1 ATOM 1407 C C . PHE A 1 180 ? 22.213 45.079 16.546 1.00 20.00 ? 265 PHE X C 1 ATOM 1408 O O . PHE A 1 180 ? 22.292 46.153 15.925 1.00 20.48 ? 265 PHE X O 1 ATOM 1409 C CB . PHE A 1 180 ? 24.495 44.165 16.728 1.00 19.99 ? 265 PHE X CB 1 ATOM 1410 C CG . PHE A 1 180 ? 24.491 44.298 18.224 1.00 20.17 ? 265 PHE X CG 1 ATOM 1411 C CD1 . PHE A 1 180 ? 24.310 45.534 18.837 1.00 20.86 ? 265 PHE X CD1 1 ATOM 1412 C CD2 . PHE A 1 180 ? 24.657 43.185 19.027 1.00 20.68 ? 265 PHE X CD2 1 ATOM 1413 C CE1 . PHE A 1 180 ? 24.298 45.640 20.230 1.00 20.41 ? 265 PHE X CE1 1 ATOM 1414 C CE2 . PHE A 1 180 ? 24.638 43.281 20.400 1.00 20.43 ? 265 PHE X CE2 1 ATOM 1415 C CZ . PHE A 1 180 ? 24.459 44.516 21.013 1.00 21.01 ? 265 PHE X CZ 1 ATOM 1416 N N . PRO A 1 181 ? 21.415 44.895 17.614 1.00 19.89 ? 266 PRO X N 1 ATOM 1417 C CA . PRO A 1 181 ? 21.214 43.724 18.476 1.00 19.90 ? 266 PRO X CA 1 ATOM 1418 C C . PRO A 1 181 ? 20.012 42.871 18.114 1.00 19.65 ? 266 PRO X C 1 ATOM 1419 O O . PRO A 1 181 ? 19.674 41.926 18.845 1.00 19.50 ? 266 PRO X O 1 ATOM 1420 C CB . PRO A 1 181 ? 20.958 44.371 19.842 1.00 20.42 ? 266 PRO X CB 1 ATOM 1421 C CG . PRO A 1 181 ? 20.159 45.569 19.503 1.00 20.43 ? 266 PRO X CG 1 ATOM 1422 C CD . PRO A 1 181 ? 20.635 46.039 18.122 1.00 19.99 ? 266 PRO X CD 1 ATOM 1423 N N . VAL A 1 182 ? 19.379 43.172 16.984 1.00 19.78 ? 267 VAL X N 1 ATOM 1424 C CA . VAL A 1 182 ? 18.122 42.526 16.626 1.00 20.07 ? 267 VAL X CA 1 ATOM 1425 C C . VAL A 1 182 ? 18.279 41.079 16.134 1.00 19.14 ? 267 VAL X C 1 ATOM 1426 O O . VAL A 1 182 ? 17.504 40.211 16.526 1.00 20.40 ? 267 VAL X O 1 ATOM 1427 C CB A VAL A 1 182 ? 17.293 43.386 15.629 0.50 20.37 ? 267 VAL X CB 1 ATOM 1428 C CB B VAL A 1 182 ? 17.316 43.344 15.565 0.50 20.34 ? 267 VAL X CB 1 ATOM 1429 C CG1 A VAL A 1 182 ? 16.850 44.675 16.309 0.50 20.71 ? 267 VAL X CG1 1 ATOM 1430 C CG1 B VAL A 1 182 ? 18.071 43.478 14.243 0.50 21.71 ? 267 VAL X CG1 1 ATOM 1431 C CG2 A VAL A 1 182 ? 18.070 43.699 14.358 0.50 21.52 ? 267 VAL X CG2 1 ATOM 1432 C CG2 B VAL A 1 182 ? 15.955 42.707 15.324 0.50 20.38 ? 267 VAL X CG2 1 ATOM 1433 N N . THR A 1 183 ? 19.273 40.810 15.297 1.00 17.39 ? 268 THR X N 1 ATOM 1434 C CA . THR A 1 183 ? 19.360 39.504 14.658 1.00 16.78 ? 268 THR X CA 1 ATOM 1435 C C . THR A 1 183 ? 20.793 39.018 14.645 1.00 14.55 ? 268 THR X C 1 ATOM 1436 O O . THR A 1 183 ? 21.641 39.652 14.038 1.00 14.62 ? 268 THR X O 1 ATOM 1437 C CB . THR A 1 183 ? 18.860 39.565 13.204 1.00 17.67 ? 268 THR X CB 1 ATOM 1438 O OG1 . THR A 1 183 ? 17.521 40.089 13.201 1.00 20.23 ? 268 THR X OG1 1 ATOM 1439 C CG2 . THR A 1 183 ? 18.884 38.181 12.564 1.00 18.65 ? 268 THR X CG2 1 ATOM 1440 N N . ASN A 1 184 ? 21.018 37.891 15.324 1.00 13.45 ? 269 ASN X N 1 ATOM 1441 C CA . ASN A 1 184 ? 22.292 37.186 15.301 1.00 12.07 ? 269 ASN X CA 1 ATOM 1442 C C . ASN A 1 184 ? 22.069 35.953 14.463 1.00 11.75 ? 269 ASN X C 1 ATOM 1443 O O . ASN A 1 184 ? 21.328 35.067 14.850 1.00 12.08 ? 269 ASN X O 1 ATOM 1444 C CB . ASN A 1 184 ? 22.732 36.784 16.725 1.00 10.91 ? 269 ASN X CB 1 ATOM 1445 C CG . ASN A 1 184 ? 24.145 36.231 16.772 1.00 12.01 ? 269 ASN X CG 1 ATOM 1446 O OD1 . ASN A 1 184 ? 24.678 35.801 15.750 1.00 12.82 ? 269 ASN X OD1 1 ATOM 1447 N ND2 . ASN A 1 184 ? 24.770 36.264 17.951 1.00 10.09 ? 269 ASN X ND2 1 ATOM 1448 N N . THR A 1 185 ? 22.707 35.879 13.299 1.00 11.39 ? 270 THR X N 1 ATOM 1449 C CA . THR A 1 185 ? 22.458 34.785 12.388 1.00 11.43 ? 270 THR X CA 1 ATOM 1450 C C . THR A 1 185 ? 23.059 33.459 12.832 1.00 10.56 ? 270 THR X C 1 ATOM 1451 O O . THR A 1 185 ? 22.656 32.404 12.349 1.00 12.67 ? 270 THR X O 1 ATOM 1452 C CB . THR A 1 185 ? 23.029 35.100 11.007 1.00 11.19 ? 270 THR X CB 1 ATOM 1453 O OG1 . THR A 1 185 ? 24.454 35.180 11.103 1.00 10.82 ? 270 THR X OG1 1 ATOM 1454 C CG2 . THR A 1 185 ? 22.478 36.408 10.468 1.00 11.96 ? 270 THR X CG2 1 ATOM 1455 N N . GLY A 1 186 ? 24.015 33.496 13.766 1.00 9.51 ? 271 GLY X N 1 ATOM 1456 C CA . GLY A 1 186 ? 24.711 32.291 14.208 1.00 8.48 ? 271 GLY X CA 1 ATOM 1457 C C . GLY A 1 186 ? 25.526 31.639 13.108 1.00 7.56 ? 271 GLY X C 1 ATOM 1458 O O . GLY A 1 186 ? 25.804 30.445 13.143 1.00 8.71 ? 271 GLY X O 1 ATOM 1459 N N . GLU A 1 187 ? 25.964 32.457 12.160 1.00 8.48 ? 272 GLU X N 1 ATOM 1460 C CA . GLU A 1 187 ? 26.784 31.991 11.048 1.00 8.22 ? 272 GLU X CA 1 ATOM 1461 C C . GLU A 1 187 ? 28.035 31.247 11.528 1.00 7.90 ? 272 GLU X C 1 ATOM 1462 O O . GLU A 1 187 ? 28.419 30.232 10.928 1.00 8.63 ? 272 GLU X O 1 ATOM 1463 C CB . GLU A 1 187 ? 27.177 33.180 10.160 1.00 8.65 ? 272 GLU X CB 1 ATOM 1464 C CG . GLU A 1 187 ? 28.069 32.830 8.972 1.00 10.41 ? 272 GLU X CG 1 ATOM 1465 C CD . GLU A 1 187 ? 28.636 34.036 8.295 1.00 10.44 ? 272 GLU X CD 1 ATOM 1466 O OE1 . GLU A 1 187 ? 27.983 35.098 8.302 1.00 12.32 ? 272 GLU X OE1 1 ATOM 1467 O OE2 . GLU A 1 187 ? 29.765 33.920 7.744 1.00 12.46 ? 272 GLU X OE2 1 ATOM 1468 N N . ASP A 1 188 ? 28.686 31.758 12.588 1.00 6.93 ? 273 ASP X N 1 ATOM 1469 C CA . ASP A 1 188 ? 29.929 31.135 13.099 1.00 6.90 ? 273 ASP X CA 1 ATOM 1470 C C . ASP A 1 188 ? 29.703 29.869 13.921 1.00 7.55 ? 273 ASP X C 1 ATOM 1471 O O . ASP A 1 188 ? 30.664 29.266 14.405 1.00 7.88 ? 273 ASP X O 1 ATOM 1472 C CB . ASP A 1 188 ? 30.796 32.112 13.883 1.00 6.93 ? 273 ASP X CB 1 ATOM 1473 C CG . ASP A 1 188 ? 30.121 32.640 15.130 1.00 6.92 ? 273 ASP X CG 1 ATOM 1474 O OD1 . ASP A 1 188 ? 29.172 31.982 15.648 1.00 7.59 ? 273 ASP X OD1 1 ATOM 1475 O OD2 . ASP A 1 188 ? 30.519 33.750 15.594 1.00 6.72 ? 273 ASP X OD2 1 ATOM 1476 N N . GLY A 1 189 ? 28.436 29.473 14.060 1.00 7.70 ? 274 GLY X N 1 ATOM 1477 C CA . GLY A 1 189 ? 28.072 28.257 14.765 1.00 7.40 ? 274 GLY X CA 1 ATOM 1478 C C . GLY A 1 189 ? 27.498 28.417 16.149 1.00 7.53 ? 274 GLY X C 1 ATOM 1479 O O . GLY A 1 189 ? 27.041 27.448 16.739 1.00 7.86 ? 274 GLY X O 1 ATOM 1480 N N . PHE A 1 190 ? 27.520 29.652 16.666 1.00 6.88 ? 275 PHE X N 1 ATOM 1481 C CA . PHE A 1 190 ? 27.102 29.921 18.046 1.00 6.73 ? 275 PHE X CA 1 ATOM 1482 C C . PHE A 1 190 ? 26.453 31.270 18.173 1.00 7.17 ? 275 PHE X C 1 ATOM 1483 O O . PHE A 1 190 ? 27.050 32.280 17.800 1.00 7.19 ? 275 PHE X O 1 ATOM 1484 C CB . PHE A 1 190 ? 28.303 29.831 18.994 1.00 7.30 ? 275 PHE X CB 1 ATOM 1485 C CG . PHE A 1 190 ? 29.036 28.548 18.868 1.00 7.19 ? 275 PHE X CG 1 ATOM 1486 C CD1 . PHE A 1 190 ? 28.626 27.445 19.581 1.00 7.97 ? 275 PHE X CD1 1 ATOM 1487 C CD2 . PHE A 1 190 ? 30.106 28.419 17.998 1.00 9.61 ? 275 PHE X CD2 1 ATOM 1488 C CE1 . PHE A 1 190 ? 29.262 26.210 19.417 1.00 9.48 ? 275 PHE X CE1 1 ATOM 1489 C CE2 . PHE A 1 190 ? 30.755 27.207 17.854 1.00 8.93 ? 275 PHE X CE2 1 ATOM 1490 C CZ . PHE A 1 190 ? 30.339 26.108 18.566 1.00 9.91 ? 275 PHE X CZ 1 ATOM 1491 N N . GLN A 1 191 ? 25.224 31.293 18.673 1.00 8.01 ? 276 GLN X N 1 ATOM 1492 C CA . GLN A 1 191 ? 24.563 32.556 18.971 1.00 8.43 ? 276 GLN X CA 1 ATOM 1493 C C . GLN A 1 191 ? 25.021 33.133 20.305 1.00 7.44 ? 276 GLN X C 1 ATOM 1494 O O . GLN A 1 191 ? 25.408 34.309 20.393 1.00 8.80 ? 276 GLN X O 1 ATOM 1495 C CB . GLN A 1 191 ? 23.061 32.366 18.922 1.00 9.30 ? 276 GLN X CB 1 ATOM 1496 C CG . GLN A 1 191 ? 22.630 32.209 17.490 1.00 11.83 ? 276 GLN X CG 1 ATOM 1497 C CD . GLN A 1 191 ? 21.192 31.893 17.339 1.00 15.62 ? 276 GLN X CD 1 ATOM 1498 O OE1 . GLN A 1 191 ? 20.685 31.016 18.023 1.00 16.99 ? 276 GLN X OE1 1 ATOM 1499 N NE2 . GLN A 1 191 ? 20.522 32.567 16.400 1.00 18.40 ? 276 GLN X NE2 1 ATOM 1500 N N . GLY A 1 192 ? 24.996 32.294 21.337 1.00 7.15 ? 277 GLY X N 1 ATOM 1501 C CA . GLY A 1 192 ? 25.574 32.663 22.609 1.00 7.14 ? 277 GLY X CA 1 ATOM 1502 C C . GLY A 1 192 ? 26.996 32.148 22.657 1.00 7.78 ? 277 GLY X C 1 ATOM 1503 O O . GLY A 1 192 ? 27.720 32.223 21.671 1.00 8.36 ? 277 GLY X O 1 ATOM 1504 N N . THR A 1 193 ? 27.388 31.601 23.811 1.00 7.66 ? 278 THR X N 1 ATOM 1505 C CA . THR A 1 193 ? 28.717 31.097 23.986 1.00 7.79 ? 278 THR X CA 1 ATOM 1506 C C . THR A 1 193 ? 28.934 29.805 23.211 1.00 7.58 ? 278 THR X C 1 ATOM 1507 O O . THR A 1 193 ? 27.960 29.147 22.786 1.00 7.52 ? 278 THR X O 1 ATOM 1508 C CB . THR A 1 193 ? 29.032 30.859 25.487 1.00 8.55 ? 278 THR X CB 1 ATOM 1509 O OG1 . THR A 1 193 ? 28.044 29.992 26.031 1.00 8.73 ? 278 THR X OG1 1 ATOM 1510 C CG2 . THR A 1 193 ? 29.046 32.186 26.243 1.00 9.51 ? 278 THR X CG2 1 ATOM 1511 N N . ALA A 1 194 ? 30.220 29.516 23.001 1.00 6.86 ? 279 ALA X N 1 ATOM 1512 C CA . ALA A 1 194 ? 30.726 28.271 22.452 1.00 5.99 ? 279 ALA X CA 1 ATOM 1513 C C . ALA A 1 194 ? 31.512 27.546 23.531 1.00 7.10 ? 279 ALA X C 1 ATOM 1514 O O . ALA A 1 194 ? 31.957 28.170 24.510 1.00 6.17 ? 279 ALA X O 1 ATOM 1515 C CB . ALA A 1 194 ? 31.666 28.546 21.288 1.00 6.49 ? 279 ALA X CB 1 ATOM 1516 N N . PRO A 1 195 ? 31.726 26.228 23.368 1.00 7.02 ? 280 PRO X N 1 ATOM 1517 C CA . PRO A 1 195 ? 32.636 25.541 24.270 1.00 7.15 ? 280 PRO X CA 1 ATOM 1518 C C . PRO A 1 195 ? 33.992 26.231 24.334 1.00 7.35 ? 280 PRO X C 1 ATOM 1519 O O . PRO A 1 195 ? 34.434 26.827 23.342 1.00 7.13 ? 280 PRO X O 1 ATOM 1520 C CB . PRO A 1 195 ? 32.780 24.162 23.647 1.00 7.77 ? 280 PRO X CB 1 ATOM 1521 C CG . PRO A 1 195 ? 31.519 23.963 22.876 1.00 8.24 ? 280 PRO X CG 1 ATOM 1522 C CD . PRO A 1 195 ? 31.141 25.320 22.367 1.00 7.28 ? 280 PRO X CD 1 ATOM 1523 N N . VAL A 1 196 ? 34.662 26.112 25.475 1.00 7.17 ? 281 VAL X N 1 ATOM 1524 C CA . VAL A 1 196 ? 35.920 26.843 25.686 1.00 7.56 ? 281 VAL X CA 1 ATOM 1525 C C . VAL A 1 196 ? 37.039 26.395 24.754 1.00 7.24 ? 281 VAL X C 1 ATOM 1526 O O . VAL A 1 196 ? 38.001 27.158 24.546 1.00 7.04 ? 281 VAL X O 1 ATOM 1527 C CB . VAL A 1 196 ? 36.393 26.790 27.147 1.00 7.31 ? 281 VAL X CB 1 ATOM 1528 C CG1 . VAL A 1 196 ? 35.381 27.466 28.038 1.00 8.19 ? 281 VAL X CG1 1 ATOM 1529 C CG2 . VAL A 1 196 ? 36.657 25.378 27.588 1.00 8.65 ? 281 VAL X CG2 1 ATOM 1530 N N . ASP A 1 197 ? 36.897 25.198 24.166 1.00 7.93 ? 282 ASP X N 1 ATOM 1531 C CA . ASP A 1 197 ? 37.875 24.681 23.220 1.00 8.10 ? 282 ASP X CA 1 ATOM 1532 C C . ASP A 1 197 ? 37.462 24.789 21.757 1.00 8.46 ? 282 ASP X C 1 ATOM 1533 O O . ASP A 1 197 ? 38.058 24.161 20.881 1.00 8.69 ? 282 ASP X O 1 ATOM 1534 C CB . ASP A 1 197 ? 38.265 23.241 23.573 1.00 8.45 ? 282 ASP X CB 1 ATOM 1535 C CG . ASP A 1 197 ? 37.090 22.303 23.640 1.00 10.72 ? 282 ASP X CG 1 ATOM 1536 O OD1 . ASP A 1 197 ? 35.928 22.697 23.379 1.00 11.22 ? 282 ASP X OD1 1 ATOM 1537 O OD2 . ASP A 1 197 ? 37.358 21.115 23.982 1.00 15.19 ? 282 ASP X OD2 1 ATOM 1538 N N . ALA A 1 198 ? 36.482 25.642 21.487 1.00 7.98 ? 283 ALA X N 1 ATOM 1539 C CA . ALA A 1 198 ? 36.035 25.893 20.124 1.00 7.94 ? 283 ALA X CA 1 ATOM 1540 C C . ALA A 1 198 ? 37.005 26.816 19.401 1.00 8.08 ? 283 ALA X C 1 ATOM 1541 O O . ALA A 1 198 ? 37.748 27.587 20.041 1.00 7.48 ? 283 ALA X O 1 ATOM 1542 C CB . ALA A 1 198 ? 34.641 26.513 20.141 1.00 8.08 ? 283 ALA X CB 1 ATOM 1543 N N . PHE A 1 199 ? 36.990 26.736 18.070 1.00 7.58 ? 284 PHE X N 1 ATOM 1544 C CA . PHE A 1 199 ? 37.767 27.616 17.169 1.00 7.54 ? 284 PHE X CA 1 ATOM 1545 C C . PHE A 1 199 ? 39.266 27.323 17.229 1.00 7.65 ? 284 PHE X C 1 ATOM 1546 O O . PHE A 1 199 ? 39.722 26.627 18.125 1.00 7.85 ? 284 PHE X O 1 ATOM 1547 C CB . PHE A 1 199 ? 37.403 29.080 17.396 1.00 8.27 ? 284 PHE X CB 1 ATOM 1548 C CG . PHE A 1 199 ? 35.973 29.367 17.023 1.00 7.12 ? 284 PHE X CG 1 ATOM 1549 C CD1 . PHE A 1 199 ? 35.588 29.430 15.693 1.00 9.06 ? 284 PHE X CD1 1 ATOM 1550 C CD2 . PHE A 1 199 ? 35.003 29.482 17.999 1.00 8.10 ? 284 PHE X CD2 1 ATOM 1551 C CE1 . PHE A 1 199 ? 34.260 29.641 15.364 1.00 8.38 ? 284 PHE X CE1 1 ATOM 1552 C CE2 . PHE A 1 199 ? 33.679 29.662 17.669 1.00 8.81 ? 284 PHE X CE2 1 ATOM 1553 C CZ . PHE A 1 199 ? 33.310 29.759 16.362 1.00 8.14 ? 284 PHE X CZ 1 ATOM 1554 N N . PRO A 1 200 ? 40.025 27.795 16.231 1.00 7.77 ? 285 PRO X N 1 ATOM 1555 C CA . PRO A 1 200 ? 41.447 27.440 16.264 1.00 8.18 ? 285 PRO X CA 1 ATOM 1556 C C . PRO A 1 200 ? 42.194 28.105 17.415 1.00 8.54 ? 285 PRO X C 1 ATOM 1557 O O . PRO A 1 200 ? 41.805 29.190 17.859 1.00 8.74 ? 285 PRO X O 1 ATOM 1558 C CB . PRO A 1 200 ? 41.978 27.966 14.927 1.00 9.14 ? 285 PRO X CB 1 ATOM 1559 C CG . PRO A 1 200 ? 40.761 28.143 14.069 1.00 9.11 ? 285 PRO X CG 1 ATOM 1560 C CD . PRO A 1 200 ? 39.653 28.523 15.004 1.00 8.40 ? 285 PRO X CD 1 ATOM 1561 N N . PRO A 1 201 ? 43.284 27.485 17.866 1.00 9.05 ? 286 PRO X N 1 ATOM 1562 C CA . PRO A 1 201 ? 44.171 28.168 18.809 1.00 8.89 ? 286 PRO X CA 1 ATOM 1563 C C . PRO A 1 201 ? 45.002 29.218 18.095 1.00 8.91 ? 286 PRO X C 1 ATOM 1564 O O . PRO A 1 201 ? 45.167 29.148 16.865 1.00 9.41 ? 286 PRO X O 1 ATOM 1565 C CB . PRO A 1 201 ? 45.117 27.057 19.274 1.00 9.33 ? 286 PRO X CB 1 ATOM 1566 C CG . PRO A 1 201 ? 45.182 26.136 18.094 1.00 10.57 ? 286 PRO X CG 1 ATOM 1567 C CD . PRO A 1 201 ? 43.807 26.169 17.469 1.00 9.60 ? 286 PRO X CD 1 ATOM 1568 N N . ASN A 1 202 ? 45.514 30.192 18.844 1.00 8.26 ? 287 ASN X N 1 ATOM 1569 C CA . ASN A 1 202 ? 46.469 31.141 18.292 1.00 7.87 ? 287 ASN X CA 1 ATOM 1570 C C . ASN A 1 202 ? 47.869 30.538 18.374 1.00 7.51 ? 287 ASN X C 1 ATOM 1571 O O . ASN A 1 202 ? 48.038 29.378 18.759 1.00 7.86 ? 287 ASN X O 1 ATOM 1572 C CB . ASN A 1 202 ? 46.374 32.539 18.933 1.00 7.79 ? 287 ASN X CB 1 ATOM 1573 C CG . ASN A 1 202 ? 47.003 32.636 20.305 1.00 8.38 ? 287 ASN X CG 1 ATOM 1574 O OD1 . ASN A 1 202 ? 47.452 31.644 20.883 1.00 8.37 ? 287 ASN X OD1 1 ATOM 1575 N ND2 . ASN A 1 202 ? 47.037 33.871 20.844 1.00 7.34 ? 287 ASN X ND2 1 ATOM 1576 N N . GLY A 1 203 ? 48.868 31.331 18.024 1.00 8.28 ? 288 GLY X N 1 ATOM 1577 C CA . GLY A 1 203 ? 50.230 30.817 17.907 1.00 8.33 ? 288 GLY X CA 1 ATOM 1578 C C . GLY A 1 203 ? 50.819 30.325 19.215 1.00 8.50 ? 288 GLY X C 1 ATOM 1579 O O . GLY A 1 203 ? 51.802 29.574 19.199 1.00 9.87 ? 288 GLY X O 1 ATOM 1580 N N . TYR A 1 204 ? 50.243 30.739 20.346 1.00 8.18 ? 289 TYR X N 1 ATOM 1581 C CA . TYR A 1 204 ? 50.702 30.297 21.650 1.00 8.09 ? 289 TYR X CA 1 ATOM 1582 C C . TYR A 1 204 ? 49.831 29.183 22.217 1.00 8.60 ? 289 TYR X C 1 ATOM 1583 O O . TYR A 1 204 ? 50.074 28.745 23.331 1.00 9.28 ? 289 TYR X O 1 ATOM 1584 C CB . TYR A 1 204 ? 50.684 31.431 22.653 1.00 8.76 ? 289 TYR X CB 1 ATOM 1585 C CG . TYR A 1 204 ? 51.668 32.545 22.411 1.00 7.43 ? 289 TYR X CG 1 ATOM 1586 C CD1 . TYR A 1 204 ? 52.877 32.349 21.728 1.00 9.02 ? 289 TYR X CD1 1 ATOM 1587 C CD2 . TYR A 1 204 ? 51.430 33.808 22.938 1.00 8.26 ? 289 TYR X CD2 1 ATOM 1588 C CE1 . TYR A 1 204 ? 53.781 33.400 21.548 1.00 9.44 ? 289 TYR X CE1 1 ATOM 1589 C CE2 . TYR A 1 204 ? 52.328 34.848 22.770 1.00 9.52 ? 289 TYR X CE2 1 ATOM 1590 C CZ . TYR A 1 204 ? 53.502 34.644 22.081 1.00 9.28 ? 289 TYR X CZ 1 ATOM 1591 O OH . TYR A 1 204 ? 54.390 35.688 21.892 1.00 10.11 ? 289 TYR X OH 1 ATOM 1592 N N . GLY A 1 205 ? 48.801 28.724 21.506 1.00 6.89 ? 290 GLY X N 1 ATOM 1593 C CA . GLY A 1 205 ? 47.990 27.653 22.074 1.00 8.84 ? 290 GLY X CA 1 ATOM 1594 C C . GLY A 1 205 ? 46.746 28.043 22.801 1.00 7.25 ? 290 GLY X C 1 ATOM 1595 O O . GLY A 1 205 ? 46.161 27.215 23.497 1.00 8.29 ? 290 GLY X O 1 ATOM 1596 N N . LEU A 1 206 ? 46.325 29.289 22.602 1.00 7.32 ? 291 LEU X N 1 ATOM 1597 C CA . LEU A 1 206 ? 45.210 29.858 23.342 1.00 7.06 ? 291 LEU X CA 1 ATOM 1598 C C . LEU A 1 206 ? 43.951 29.867 22.491 1.00 7.30 ? 291 LEU X C 1 ATOM 1599 O O . LEU A 1 206 ? 43.994 30.247 21.316 1.00 7.70 ? 291 LEU X O 1 ATOM 1600 C CB . LEU A 1 206 ? 45.549 31.294 23.750 1.00 6.86 ? 291 LEU X CB 1 ATOM 1601 C CG . LEU A 1 206 ? 46.820 31.441 24.580 1.00 7.70 ? 291 LEU X CG 1 ATOM 1602 C CD1 . LEU A 1 206 ? 47.070 32.882 24.904 1.00 9.03 ? 291 LEU X CD1 1 ATOM 1603 C CD2 . LEU A 1 206 ? 46.739 30.671 25.868 1.00 7.91 ? 291 LEU X CD2 1 ATOM 1604 N N . TYR A 1 207 ? 42.835 29.532 23.131 1.00 6.24 ? 292 TYR X N 1 ATOM 1605 C CA . TYR A 1 207 ? 41.524 29.420 22.488 1.00 6.57 ? 292 TYR X CA 1 ATOM 1606 C C . TYR A 1 207 ? 40.640 30.560 22.972 1.00 6.02 ? 292 TYR X C 1 ATOM 1607 O O . TYR A 1 207 ? 40.636 30.862 24.155 1.00 6.29 ? 292 TYR X O 1 ATOM 1608 C CB . TYR A 1 207 ? 40.890 28.070 22.867 1.00 7.46 ? 292 TYR X CB 1 ATOM 1609 C CG . TYR A 1 207 ? 41.605 26.880 22.296 1.00 8.08 ? 292 TYR X CG 1 ATOM 1610 C CD1 . TYR A 1 207 ? 42.768 26.397 22.869 1.00 9.28 ? 292 TYR X CD1 1 ATOM 1611 C CD2 . TYR A 1 207 ? 41.145 26.298 21.130 1.00 7.87 ? 292 TYR X CD2 1 ATOM 1612 C CE1 . TYR A 1 207 ? 43.440 25.328 22.316 1.00 9.73 ? 292 TYR X CE1 1 ATOM 1613 C CE2 . TYR A 1 207 ? 41.799 25.217 20.571 1.00 9.00 ? 292 TYR X CE2 1 ATOM 1614 C CZ . TYR A 1 207 ? 42.940 24.731 21.182 1.00 10.28 ? 292 TYR X CZ 1 ATOM 1615 O OH . TYR A 1 207 ? 43.627 23.643 20.631 1.00 12.90 ? 292 TYR X OH 1 ATOM 1616 N N . ASN A 1 208 ? 39.874 31.150 22.053 1.00 5.12 ? 293 ASN X N 1 ATOM 1617 C CA . ASN A 1 208 ? 38.822 32.127 22.362 1.00 6.36 ? 293 ASN X CA 1 ATOM 1618 C C . ASN A 1 208 ? 39.314 33.283 23.175 1.00 6.13 ? 293 ASN X C 1 ATOM 1619 O O . ASN A 1 208 ? 38.567 33.863 23.954 1.00 7.15 ? 293 ASN X O 1 ATOM 1620 C CB . ASN A 1 208 ? 37.636 31.419 23.003 1.00 5.34 ? 293 ASN X CB 1 ATOM 1621 C CG . ASN A 1 208 ? 37.048 30.377 22.081 1.00 7.28 ? 293 ASN X CG 1 ATOM 1622 O OD1 . ASN A 1 208 ? 36.537 30.711 21.014 1.00 7.54 ? 293 ASN X OD1 1 ATOM 1623 N ND2 . ASN A 1 208 ? 37.157 29.094 22.467 1.00 7.23 ? 293 ASN X ND2 1 ATOM 1624 N N . ILE A 1 209 ? 40.555 33.689 22.914 1.00 6.18 ? 294 ILE X N 1 ATOM 1625 C CA . ILE A 1 209 ? 41.103 34.844 23.591 1.00 6.84 ? 294 ILE X CA 1 ATOM 1626 C C . ILE A 1 209 ? 40.480 36.142 23.062 1.00 6.75 ? 294 ILE X C 1 ATOM 1627 O O . ILE A 1 209 ? 40.294 37.087 23.831 1.00 7.52 ? 294 ILE X O 1 ATOM 1628 C CB . ILE A 1 209 ? 42.654 34.820 23.628 1.00 7.28 ? 294 ILE X CB 1 ATOM 1629 C CG1 . ILE A 1 209 ? 43.162 35.903 24.583 1.00 7.93 ? 294 ILE X CG1 1 ATOM 1630 C CG2 . ILE A 1 209 ? 43.248 34.931 22.260 1.00 8.74 ? 294 ILE X CG2 1 ATOM 1631 C CD1 . ILE A 1 209 ? 44.446 35.564 25.293 1.00 11.39 ? 294 ILE X CD1 1 ATOM 1632 N N . VAL A 1 210 ? 40.098 36.187 21.781 1.00 7.04 ? 295 VAL X N 1 ATOM 1633 C CA . VAL A 1 210 ? 39.100 37.178 21.347 1.00 7.44 ? 295 VAL X CA 1 ATOM 1634 C C . VAL A 1 210 ? 37.751 36.478 21.154 1.00 6.67 ? 295 VAL X C 1 ATOM 1635 O O . VAL A 1 210 ? 37.696 35.310 20.716 1.00 7.03 ? 295 VAL X O 1 ATOM 1636 C CB . VAL A 1 210 ? 39.471 38.013 20.102 1.00 8.15 ? 295 VAL X CB 1 ATOM 1637 C CG1 . VAL A 1 210 ? 40.714 38.818 20.334 1.00 8.53 ? 295 VAL X CG1 1 ATOM 1638 C CG2 . VAL A 1 210 ? 39.628 37.182 18.900 1.00 9.59 ? 295 VAL X CG2 1 ATOM 1639 N N . GLY A 1 211 ? 36.679 37.174 21.492 1.00 6.52 ? 296 GLY X N 1 ATOM 1640 C CA . GLY A 1 211 ? 35.372 36.585 21.415 1.00 6.52 ? 296 GLY X CA 1 ATOM 1641 C C . GLY A 1 211 ? 35.009 35.614 22.520 1.00 6.79 ? 296 GLY X C 1 ATOM 1642 O O . GLY A 1 211 ? 35.774 35.353 23.475 1.00 7.31 ? 296 GLY X O 1 ATOM 1643 N N . ASN A 1 212 ? 33.800 35.087 22.372 1.00 5.78 ? 297 ASN X N 1 ATOM 1644 C CA . ASN A 1 212 ? 33.188 34.138 23.296 1.00 6.30 ? 297 ASN X CA 1 ATOM 1645 C C . ASN A 1 212 ? 32.814 34.878 24.567 1.00 6.36 ? 297 ASN X C 1 ATOM 1646 O O . ASN A 1 212 ? 31.817 35.605 24.530 1.00 6.38 ? 297 ASN X O 1 ATOM 1647 C CB . ASN A 1 212 ? 34.031 32.873 23.484 1.00 6.44 ? 297 ASN X CB 1 ATOM 1648 C CG . ASN A 1 212 ? 33.163 31.626 23.675 1.00 5.92 ? 297 ASN X CG 1 ATOM 1649 O OD1 . ASN A 1 212 ? 32.056 31.548 23.137 1.00 6.98 ? 297 ASN X OD1 1 ATOM 1650 N ND2 . ASN A 1 212 ? 33.679 30.638 24.399 1.00 5.87 ? 297 ASN X ND2 1 ATOM 1651 N N . ALA A 1 213 ? 33.578 34.777 25.651 1.00 6.23 ? 298 ALA X N 1 ATOM 1652 C CA . ALA A 1 213 ? 33.383 35.652 26.834 1.00 6.28 ? 298 ALA X CA 1 ATOM 1653 C C . ALA A 1 213 ? 34.496 36.711 26.874 1.00 6.68 ? 298 ALA X C 1 ATOM 1654 O O . ALA A 1 213 ? 35.645 36.422 26.544 1.00 6.08 ? 298 ALA X O 1 ATOM 1655 C CB . ALA A 1 213 ? 33.421 34.834 28.126 1.00 6.45 ? 298 ALA X CB 1 ATOM 1656 N N . TRP A 1 214 ? 34.139 37.929 27.284 1.00 6.72 ? 299 TRP X N 1 ATOM 1657 C CA . TRP A 1 214 ? 35.101 38.921 27.745 1.00 6.89 ? 299 TRP X CA 1 ATOM 1658 C C . TRP A 1 214 ? 35.951 38.318 28.857 1.00 6.45 ? 299 TRP X C 1 ATOM 1659 O O . TRP A 1 214 ? 35.497 37.399 29.565 1.00 6.87 ? 299 TRP X O 1 ATOM 1660 C CB . TRP A 1 214 ? 34.394 40.145 28.342 1.00 7.73 ? 299 TRP X CB 1 ATOM 1661 C CG . TRP A 1 214 ? 33.873 41.165 27.395 1.00 7.07 ? 299 TRP X CG 1 ATOM 1662 C CD1 . TRP A 1 214 ? 32.590 41.320 26.965 1.00 9.71 ? 299 TRP X CD1 1 ATOM 1663 C CD2 . TRP A 1 214 ? 34.609 42.278 26.863 1.00 8.01 ? 299 TRP X CD2 1 ATOM 1664 N NE1 . TRP A 1 214 ? 32.484 42.444 26.162 1.00 9.70 ? 299 TRP X NE1 1 ATOM 1665 C CE2 . TRP A 1 214 ? 33.711 43.042 26.075 1.00 8.97 ? 299 TRP X CE2 1 ATOM 1666 C CE3 . TRP A 1 214 ? 35.933 42.695 26.971 1.00 9.20 ? 299 TRP X CE3 1 ATOM 1667 C CZ2 . TRP A 1 214 ? 34.111 44.202 25.394 1.00 9.58 ? 299 TRP X CZ2 1 ATOM 1668 C CZ3 . TRP A 1 214 ? 36.335 43.858 26.281 1.00 8.77 ? 299 TRP X CZ3 1 ATOM 1669 C CH2 . TRP A 1 214 ? 35.421 44.585 25.505 1.00 9.29 ? 299 TRP X CH2 1 ATOM 1670 N N . GLU A 1 215 ? 37.145 38.879 29.067 1.00 6.74 ? 300 GLU X N 1 ATOM 1671 C CA . GLU A 1 215 ? 38.039 38.340 30.068 1.00 6.44 ? 300 GLU X CA 1 ATOM 1672 C C . GLU A 1 215 ? 38.593 39.398 31.000 1.00 6.89 ? 300 GLU X C 1 ATOM 1673 O O . GLU A 1 215 ? 39.223 40.349 30.554 1.00 7.39 ? 300 GLU X O 1 ATOM 1674 C CB . GLU A 1 215 ? 39.164 37.580 29.360 1.00 7.21 ? 300 GLU X CB 1 ATOM 1675 C CG . GLU A 1 215 ? 38.564 36.511 28.466 1.00 7.07 ? 300 GLU X CG 1 ATOM 1676 C CD . GLU A 1 215 ? 39.555 35.673 27.664 1.00 7.16 ? 300 GLU X CD 1 ATOM 1677 O OE1 . GLU A 1 215 ? 40.754 35.699 27.980 1.00 5.92 ? 300 GLU X OE1 1 ATOM 1678 O OE2 . GLU A 1 215 ? 39.075 34.950 26.736 1.00 6.73 ? 300 GLU X OE2 1 ATOM 1679 N N . TRP A 1 216 ? 38.363 39.219 32.294 1.00 6.27 ? 301 TRP X N 1 ATOM 1680 C CA . TRP A 1 216 ? 38.945 40.115 33.280 1.00 7.16 ? 301 TRP X CA 1 ATOM 1681 C C . TRP A 1 216 ? 40.476 40.030 33.308 1.00 7.71 ? 301 TRP X C 1 ATOM 1682 O O . TRP A 1 216 ? 41.049 38.957 33.163 1.00 7.55 ? 301 TRP X O 1 ATOM 1683 C CB . TRP A 1 216 ? 38.487 39.710 34.661 1.00 7.79 ? 301 TRP X CB 1 ATOM 1684 C CG . TRP A 1 216 ? 37.068 40.010 35.059 1.00 7.10 ? 301 TRP X CG 1 ATOM 1685 C CD1 . TRP A 1 216 ? 36.098 39.091 35.346 1.00 7.55 ? 301 TRP X CD1 1 ATOM 1686 C CD2 . TRP A 1 216 ? 36.495 41.305 35.340 1.00 6.99 ? 301 TRP X CD2 1 ATOM 1687 N NE1 . TRP A 1 216 ? 34.941 39.735 35.777 1.00 7.37 ? 301 TRP X NE1 1 ATOM 1688 C CE2 . TRP A 1 216 ? 35.166 41.087 35.789 1.00 6.81 ? 301 TRP X CE2 1 ATOM 1689 C CE3 . TRP A 1 216 ? 36.978 42.615 35.278 1.00 9.56 ? 301 TRP X CE3 1 ATOM 1690 C CZ2 . TRP A 1 216 ? 34.318 42.138 36.168 1.00 8.73 ? 301 TRP X CZ2 1 ATOM 1691 C CZ3 . TRP A 1 216 ? 36.126 43.655 35.653 1.00 8.72 ? 301 TRP X CZ3 1 ATOM 1692 C CH2 . TRP A 1 216 ? 34.819 43.406 36.082 1.00 8.81 ? 301 TRP X CH2 1 ATOM 1693 N N . THR A 1 217 ? 41.111 41.173 33.576 1.00 7.60 ? 302 THR X N 1 ATOM 1694 C CA . THR A 1 217 ? 42.541 41.236 33.898 1.00 8.41 ? 302 THR X CA 1 ATOM 1695 C C . THR A 1 217 ? 42.743 41.899 35.251 1.00 8.92 ? 302 THR X C 1 ATOM 1696 O O . THR A 1 217 ? 41.810 42.455 35.806 1.00 8.72 ? 302 THR X O 1 ATOM 1697 C CB . THR A 1 217 ? 43.340 42.005 32.831 1.00 9.09 ? 302 THR X CB 1 ATOM 1698 O OG1 . THR A 1 217 ? 43.030 43.392 32.895 1.00 9.49 ? 302 THR X OG1 1 ATOM 1699 C CG2 . THR A 1 217 ? 43.025 41.485 31.426 1.00 9.11 ? 302 THR X CG2 1 ATOM 1700 N N . SER A 1 218 ? 43.974 41.864 35.766 1.00 8.60 ? 303 SER X N 1 ATOM 1701 C CA . SER A 1 218 ? 44.222 42.373 37.125 1.00 9.15 ? 303 SER X CA 1 ATOM 1702 C C . SER A 1 218 ? 44.285 43.905 37.208 1.00 9.80 ? 303 SER X C 1 ATOM 1703 O O . SER A 1 218 ? 44.156 44.457 38.301 1.00 11.98 ? 303 SER X O 1 ATOM 1704 C CB . SER A 1 218 ? 45.485 41.767 37.707 1.00 9.63 ? 303 SER X CB 1 ATOM 1705 O OG . SER A 1 218 ? 46.586 42.098 36.924 1.00 9.82 ? 303 SER X OG 1 ATOM 1706 N N . ASP A 1 219 ? 44.483 44.591 36.087 1.00 9.72 ? 304 ASP X N 1 ATOM 1707 C CA . ASP A 1 219 ? 44.806 46.033 36.111 1.00 10.02 ? 304 ASP X CA 1 ATOM 1708 C C . ASP A 1 219 ? 43.617 46.908 36.453 1.00 9.98 ? 304 ASP X C 1 ATOM 1709 O O . ASP A 1 219 ? 42.512 46.694 35.985 1.00 9.68 ? 304 ASP X O 1 ATOM 1710 C CB . ASP A 1 219 ? 45.292 46.529 34.754 1.00 9.64 ? 304 ASP X CB 1 ATOM 1711 C CG . ASP A 1 219 ? 46.613 45.911 34.312 1.00 10.36 ? 304 ASP X CG 1 ATOM 1712 O OD1 . ASP A 1 219 ? 46.850 44.712 34.595 1.00 11.24 ? 304 ASP X OD1 1 ATOM 1713 O OD2 . ASP A 1 219 ? 47.407 46.632 33.642 1.00 10.58 ? 304 ASP X OD2 1 ATOM 1714 N N . TRP A 1 220 ? 43.870 47.953 37.237 1.00 10.70 ? 305 TRP X N 1 ATOM 1715 C CA . TRP A 1 220 ? 42.955 49.078 37.281 1.00 10.26 ? 305 TRP X CA 1 ATOM 1716 C C . TRP A 1 220 ? 42.950 49.755 35.915 1.00 10.22 ? 305 TRP X C 1 ATOM 1717 O O . TRP A 1 220 ? 43.977 49.794 35.232 1.00 10.37 ? 305 TRP X O 1 ATOM 1718 C CB . TRP A 1 220 ? 43.425 50.134 38.292 1.00 11.16 ? 305 TRP X CB 1 ATOM 1719 C CG . TRP A 1 220 ? 43.221 49.821 39.708 1.00 11.18 ? 305 TRP X CG 1 ATOM 1720 C CD1 . TRP A 1 220 ? 44.194 49.678 40.652 1.00 12.99 ? 305 TRP X CD1 1 ATOM 1721 C CD2 . TRP A 1 220 ? 41.970 49.637 40.383 1.00 11.84 ? 305 TRP X CD2 1 ATOM 1722 N NE1 . TRP A 1 220 ? 43.624 49.404 41.867 1.00 13.96 ? 305 TRP X NE1 1 ATOM 1723 C CE2 . TRP A 1 220 ? 42.265 49.392 41.741 1.00 12.37 ? 305 TRP X CE2 1 ATOM 1724 C CE3 . TRP A 1 220 ? 40.641 49.662 39.978 1.00 12.39 ? 305 TRP X CE3 1 ATOM 1725 C CZ2 . TRP A 1 220 ? 41.270 49.147 42.693 1.00 12.90 ? 305 TRP X CZ2 1 ATOM 1726 C CZ3 . TRP A 1 220 ? 39.649 49.437 40.924 1.00 13.45 ? 305 TRP X CZ3 1 ATOM 1727 C CH2 . TRP A 1 220 ? 39.975 49.173 42.267 1.00 13.31 ? 305 TRP X CH2 1 ATOM 1728 N N . TRP A 1 221 ? 41.800 50.306 35.535 1.00 10.91 ? 306 TRP X N 1 ATOM 1729 C CA . TRP A 1 221 ? 41.618 51.018 34.275 1.00 11.19 ? 306 TRP X CA 1 ATOM 1730 C C . TRP A 1 221 ? 42.135 52.468 34.316 1.00 11.56 ? 306 TRP X C 1 ATOM 1731 O O . TRP A 1 221 ? 41.803 53.241 35.223 1.00 12.21 ? 306 TRP X O 1 ATOM 1732 C CB . TRP A 1 221 ? 40.136 51.036 33.922 1.00 11.28 ? 306 TRP X CB 1 ATOM 1733 C CG . TRP A 1 221 ? 39.741 51.922 32.786 1.00 10.57 ? 306 TRP X CG 1 ATOM 1734 C CD1 . TRP A 1 221 ? 39.347 53.232 32.867 1.00 10.96 ? 306 TRP X CD1 1 ATOM 1735 C CD2 . TRP A 1 221 ? 39.628 51.557 31.401 1.00 9.97 ? 306 TRP X CD2 1 ATOM 1736 N NE1 . TRP A 1 221 ? 39.012 53.699 31.621 1.00 12.82 ? 306 TRP X NE1 1 ATOM 1737 C CE2 . TRP A 1 221 ? 39.187 52.694 30.702 1.00 10.67 ? 306 TRP X CE2 1 ATOM 1738 C CE3 . TRP A 1 221 ? 39.867 50.383 30.687 1.00 11.29 ? 306 TRP X CE3 1 ATOM 1739 C CZ2 . TRP A 1 221 ? 38.967 52.687 29.338 1.00 11.44 ? 306 TRP X CZ2 1 ATOM 1740 C CZ3 . TRP A 1 221 ? 39.648 50.383 29.323 1.00 11.93 ? 306 TRP X CZ3 1 ATOM 1741 C CH2 . TRP A 1 221 ? 39.202 51.518 28.663 1.00 11.86 ? 306 TRP X CH2 1 ATOM 1742 N N . THR A 1 222 ? 42.893 52.824 33.288 1.00 10.97 ? 307 THR X N 1 ATOM 1743 C CA . THR A 1 222 ? 43.138 54.215 32.919 1.00 11.77 ? 307 THR X CA 1 ATOM 1744 C C . THR A 1 222 ? 43.200 54.263 31.399 1.00 12.14 ? 307 THR X C 1 ATOM 1745 O O . THR A 1 222 ? 43.451 53.234 30.753 1.00 11.64 ? 307 THR X O 1 ATOM 1746 C CB . THR A 1 222 ? 44.468 54.741 33.487 1.00 11.91 ? 307 THR X CB 1 ATOM 1747 O OG1 . THR A 1 222 ? 44.628 56.136 33.161 1.00 13.71 ? 307 THR X OG1 1 ATOM 1748 C CG2 . THR A 1 222 ? 45.635 53.992 32.915 1.00 11.42 ? 307 THR X CG2 1 ATOM 1749 N N . VAL A 1 223 ? 43.006 55.453 30.834 1.00 12.39 ? 308 VAL X N 1 ATOM 1750 C CA . VAL A 1 223 ? 43.205 55.671 29.407 1.00 13.63 ? 308 VAL X CA 1 ATOM 1751 C C . VAL A 1 223 ? 44.487 56.448 29.148 1.00 14.84 ? 308 VAL X C 1 ATOM 1752 O O . VAL A 1 223 ? 44.809 56.739 27.989 1.00 15.73 ? 308 VAL X O 1 ATOM 1753 C CB . VAL A 1 223 ? 42.016 56.415 28.751 1.00 13.82 ? 308 VAL X CB 1 ATOM 1754 C CG1 . VAL A 1 223 ? 40.720 55.632 28.928 1.00 14.82 ? 308 VAL X CG1 1 ATOM 1755 C CG2 . VAL A 1 223 ? 41.867 57.812 29.323 1.00 14.26 ? 308 VAL X CG2 1 ATOM 1756 N N . HIS A 1 224 ? 45.224 56.768 30.211 1.00 15.98 ? 309 HIS X N 1 ATOM 1757 C CA . HIS A 1 224 ? 46.462 57.530 30.079 1.00 17.72 ? 309 HIS X CA 1 ATOM 1758 C C . HIS A 1 224 ? 47.698 56.660 30.181 1.00 19.22 ? 309 HIS X C 1 ATOM 1759 O O . HIS A 1 224 ? 48.074 56.272 31.277 1.00 20.06 ? 309 HIS X O 1 ATOM 1760 C CB . HIS A 1 224 ? 46.498 58.633 31.132 1.00 17.53 ? 309 HIS X CB 1 ATOM 1761 C CG . HIS A 1 224 ? 45.480 59.682 30.883 1.00 18.25 ? 309 HIS X CG 1 ATOM 1762 N ND1 . HIS A 1 224 ? 45.516 60.470 29.757 1.00 21.01 ? 309 HIS X ND1 1 ATOM 1763 C CD2 . HIS A 1 224 ? 44.376 60.046 31.572 1.00 19.63 ? 309 HIS X CD2 1 ATOM 1764 C CE1 . HIS A 1 224 ? 44.487 61.298 29.778 1.00 20.62 ? 309 HIS X CE1 1 ATOM 1765 N NE2 . HIS A 1 224 ? 43.782 61.062 30.868 1.00 21.57 ? 309 HIS X NE2 1 ATOM 1766 N N . HIS A 1 225 ? 48.331 56.411 29.028 1.00 21.22 ? 310 HIS X N 1 ATOM 1767 C CA . HIS A 1 225 ? 49.566 55.631 28.936 1.00 22.49 ? 310 HIS X CA 1 ATOM 1768 C C . HIS A 1 225 ? 50.750 56.414 28.361 1.00 24.60 ? 310 HIS X C 1 ATOM 1769 O O . HIS A 1 225 ? 50.593 57.210 27.435 1.00 24.99 ? 310 HIS X O 1 ATOM 1770 C CB . HIS A 1 225 ? 49.381 54.399 28.041 1.00 21.95 ? 310 HIS X CB 1 ATOM 1771 C CG . HIS A 1 225 ? 48.031 53.772 28.140 1.00 18.56 ? 310 HIS X CG 1 ATOM 1772 N ND1 . HIS A 1 225 ? 47.578 53.142 29.281 1.00 17.28 ? 310 HIS X ND1 1 ATOM 1773 C CD2 . HIS A 1 225 ? 47.031 53.675 27.231 1.00 16.58 ? 310 HIS X CD2 1 ATOM 1774 C CE1 . HIS A 1 225 ? 46.351 52.698 29.069 1.00 15.97 ? 310 HIS X CE1 1 ATOM 1775 N NE2 . HIS A 1 225 ? 46.000 53.003 27.835 1.00 15.51 ? 310 HIS X NE2 1 ATOM 1776 N N A SER A 1 226 ? 51.937 56.168 28.909 0.50 25.91 ? 311 SER X N 1 ATOM 1777 N N B SER A 1 226 ? 51.931 56.139 28.906 0.50 25.82 ? 311 SER X N 1 ATOM 1778 C CA A SER A 1 226 ? 53.168 56.751 28.369 0.50 26.79 ? 311 SER X CA 1 ATOM 1779 C CA B SER A 1 226 ? 53.182 56.685 28.387 0.50 26.66 ? 311 SER X CA 1 ATOM 1780 C C A SER A 1 226 ? 53.780 55.807 27.333 0.50 27.51 ? 311 SER X C 1 ATOM 1781 C C B SER A 1 226 ? 53.670 55.826 27.225 0.50 27.42 ? 311 SER X C 1 ATOM 1782 O O A SER A 1 226 ? 53.511 54.606 27.342 0.50 27.53 ? 311 SER X O 1 ATOM 1783 O O B SER A 1 226 ? 53.189 54.710 27.024 0.50 27.43 ? 311 SER X O 1 ATOM 1784 C CB A SER A 1 226 ? 54.170 57.057 29.493 0.50 27.03 ? 311 SER X CB 1 ATOM 1785 C CB B SER A 1 226 ? 54.240 56.702 29.490 0.50 26.79 ? 311 SER X CB 1 ATOM 1786 O OG A SER A 1 226 ? 54.220 56.026 30.470 0.50 26.95 ? 311 SER X OG 1 ATOM 1787 O OG B SER A 1 226 ? 55.485 57.169 29.007 0.50 26.57 ? 311 SER X OG 1 ATOM 1788 N N . VAL A 1 227 ? 54.612 56.359 26.451 1.00 28.11 ? 312 VAL X N 1 ATOM 1789 C CA . VAL A 1 227 ? 55.311 55.569 25.436 1.00 28.97 ? 312 VAL X CA 1 ATOM 1790 C C . VAL A 1 227 ? 56.612 55.023 26.015 1.00 29.73 ? 312 VAL X C 1 ATOM 1791 O O . VAL A 1 227 ? 57.388 54.367 25.308 1.00 29.81 ? 312 VAL X O 1 ATOM 1792 C CB . VAL A 1 227 ? 55.627 56.376 24.148 1.00 29.42 ? 312 VAL X CB 1 ATOM 1793 C CG1 . VAL A 1 227 ? 54.347 56.922 23.526 1.00 30.62 ? 312 VAL X CG1 1 ATOM 1794 C CG2 . VAL A 1 227 ? 56.635 57.515 24.418 1.00 29.28 ? 312 VAL X CG2 1 ATOM 1795 N N . GLU A 1 228 ? 56.859 55.284 27.298 1.00 30.35 ? 313 GLU X N 1 ATOM 1796 C CA . GLU A 1 228 ? 58.054 54.770 27.958 1.00 31.20 ? 313 GLU X CA 1 ATOM 1797 C C . GLU A 1 228 ? 58.043 53.255 27.923 1.00 30.71 ? 313 GLU X C 1 ATOM 1798 O O . GLU A 1 228 ? 56.991 52.629 28.076 1.00 30.64 ? 313 GLU X O 1 ATOM 1799 C CB . GLU A 1 228 ? 58.145 55.256 29.405 1.00 31.57 ? 313 GLU X CB 1 ATOM 1800 C CG . GLU A 1 228 ? 57.197 54.578 30.381 1.00 33.20 ? 313 GLU X CG 1 ATOM 1801 C CD . GLU A 1 228 ? 57.320 55.147 31.777 1.00 34.05 ? 313 GLU X CD 1 ATOM 1802 O OE1 . GLU A 1 228 ? 57.004 56.346 31.962 1.00 40.10 ? 313 GLU X OE1 1 ATOM 1803 O OE2 . GLU A 1 228 ? 57.754 54.405 32.685 1.00 39.12 ? 313 GLU X OE2 1 ATOM 1804 N N . GLU A 1 229 ? 59.214 52.666 27.717 1.00 29.99 ? 314 GLU X N 1 ATOM 1805 C CA . GLU A 1 229 ? 59.340 51.215 27.719 1.00 29.31 ? 314 GLU X CA 1 ATOM 1806 C C . GLU A 1 229 ? 59.219 50.697 29.148 1.00 27.92 ? 314 GLU X C 1 ATOM 1807 O O . GLU A 1 229 ? 59.805 51.275 30.063 1.00 28.44 ? 314 GLU X O 1 ATOM 1808 C CB . GLU A 1 229 ? 60.679 50.812 27.103 1.00 29.90 ? 314 GLU X CB 1 ATOM 1809 C CG . GLU A 1 229 ? 60.803 51.239 25.657 1.00 31.97 ? 314 GLU X CG 1 ATOM 1810 C CD . GLU A 1 229 ? 61.989 50.606 24.970 1.00 35.57 ? 314 GLU X CD 1 ATOM 1811 O OE1 . GLU A 1 229 ? 63.066 50.540 25.601 1.00 38.68 ? 314 GLU X OE1 1 ATOM 1812 O OE2 . GLU A 1 229 ? 61.844 50.162 23.806 1.00 37.99 ? 314 GLU X OE2 1 ATOM 1813 N N . THR A 1 230 ? 58.456 49.620 29.340 1.00 25.81 ? 315 THR X N 1 ATOM 1814 C CA . THR A 1 230 ? 58.239 49.046 30.667 1.00 24.33 ? 315 THR X CA 1 ATOM 1815 C C . THR A 1 230 ? 58.461 47.543 30.718 1.00 22.50 ? 315 THR X C 1 ATOM 1816 O O . THR A 1 230 ? 58.430 46.855 29.693 1.00 22.52 ? 315 THR X O 1 ATOM 1817 C CB . THR A 1 230 ? 56.818 49.268 31.163 1.00 24.65 ? 315 THR X CB 1 ATOM 1818 O OG1 . THR A 1 230 ? 55.896 48.708 30.217 1.00 25.39 ? 315 THR X OG1 1 ATOM 1819 C CG2 . THR A 1 230 ? 56.538 50.735 31.361 1.00 25.37 ? 315 THR X CG2 1 ATOM 1820 N N . LEU A 1 231 ? 58.658 47.065 31.941 1.00 20.30 ? 316 LEU X N 1 ATOM 1821 C CA . LEU A 1 231 ? 58.908 45.670 32.226 1.00 19.05 ? 316 LEU X CA 1 ATOM 1822 C C . LEU A 1 231 ? 57.805 45.148 33.129 1.00 17.63 ? 316 LEU X C 1 ATOM 1823 O O . LEU A 1 231 ? 57.605 45.650 34.231 1.00 16.86 ? 316 LEU X O 1 ATOM 1824 C CB . LEU A 1 231 ? 60.260 45.511 32.921 1.00 19.13 ? 316 LEU X CB 1 ATOM 1825 C CG . LEU A 1 231 ? 60.609 44.096 33.374 1.00 19.96 ? 316 LEU X CG 1 ATOM 1826 C CD1 . LEU A 1 231 ? 60.751 43.165 32.194 1.00 20.76 ? 316 LEU X CD1 1 ATOM 1827 C CD2 . LEU A 1 231 ? 61.878 44.099 34.223 1.00 20.15 ? 316 LEU X CD2 1 ATOM 1828 N N . ASN A 1 232 ? 57.096 44.125 32.665 1.00 16.13 ? 317 ASN X N 1 ATOM 1829 C CA . ASN A 1 232 ? 56.031 43.509 33.447 1.00 15.18 ? 317 ASN X CA 1 ATOM 1830 C C . ASN A 1 232 ? 55.099 44.528 34.118 1.00 14.44 ? 317 ASN X C 1 ATOM 1831 O O . ASN A 1 232 ? 54.826 44.428 35.325 1.00 15.50 ? 317 ASN X O 1 ATOM 1832 C CB . ASN A 1 232 ? 56.629 42.572 34.491 1.00 15.05 ? 317 ASN X CB 1 ATOM 1833 C CG . ASN A 1 232 ? 57.461 41.469 33.870 1.00 16.07 ? 317 ASN X CG 1 ATOM 1834 O OD1 . ASN A 1 232 ? 56.995 40.736 32.976 1.00 14.40 ? 317 ASN X OD1 1 ATOM 1835 N ND2 . ASN A 1 232 ? 58.697 41.326 34.347 1.00 17.29 ? 317 ASN X ND2 1 ATOM 1836 N N . PRO A 1 233 ? 54.567 45.477 33.330 1.00 13.80 ? 318 PRO X N 1 ATOM 1837 C CA . PRO A 1 233 ? 53.755 46.536 33.929 1.00 13.91 ? 318 PRO X CA 1 ATOM 1838 C C . PRO A 1 233 ? 52.461 45.999 34.529 1.00 14.51 ? 318 PRO X C 1 ATOM 1839 O O . PRO A 1 233 ? 51.874 45.042 34.003 1.00 14.10 ? 318 PRO X O 1 ATOM 1840 C CB . PRO A 1 233 ? 53.457 47.455 32.746 1.00 13.58 ? 318 PRO X CB 1 ATOM 1841 C CG . PRO A 1 233 ? 53.528 46.550 31.553 1.00 13.43 ? 318 PRO X CG 1 ATOM 1842 C CD . PRO A 1 233 ? 54.632 45.605 31.864 1.00 13.57 ? 318 PRO X CD 1 ATOM 1843 N N . LYS A 1 234 ? 52.012 46.631 35.613 1.00 15.05 ? 319 LYS X N 1 ATOM 1844 C CA . LYS A 1 234 ? 50.828 46.186 36.351 1.00 15.63 ? 319 LYS X CA 1 ATOM 1845 C C . LYS A 1 234 ? 49.635 47.125 36.210 1.00 14.54 ? 319 LYS X C 1 ATOM 1846 O O . LYS A 1 234 ? 48.579 46.873 36.791 1.00 13.09 ? 319 LYS X O 1 ATOM 1847 C CB . LYS A 1 234 ? 51.180 46.046 37.823 1.00 16.82 ? 319 LYS X CB 1 ATOM 1848 C CG . LYS A 1 234 ? 52.201 44.953 38.069 1.00 20.54 ? 319 LYS X CG 1 ATOM 1849 C CD . LYS A 1 234 ? 52.542 44.778 39.524 1.00 25.36 ? 319 LYS X CD 1 ATOM 1850 C CE . LYS A 1 234 ? 53.195 43.414 39.765 1.00 28.69 ? 319 LYS X CE 1 ATOM 1851 N NZ . LYS A 1 234 ? 54.294 43.105 38.774 1.00 31.22 ? 319 LYS X NZ 1 ATOM 1852 N N . GLY A 1 235 ? 49.799 48.195 35.438 1.00 14.60 ? 320 GLY X N 1 ATOM 1853 C CA . GLY A 1 235 ? 48.783 49.223 35.332 1.00 14.93 ? 320 GLY X CA 1 ATOM 1854 C C . GLY A 1 235 ? 48.884 50.211 36.480 1.00 15.27 ? 320 GLY X C 1 ATOM 1855 O O . GLY A 1 235 ? 49.781 50.121 37.335 1.00 15.60 ? 320 GLY X O 1 ATOM 1856 N N . PRO A 1 236 ? 47.957 51.165 36.520 1.00 15.84 ? 321 PRO X N 1 ATOM 1857 C CA . PRO A 1 236 ? 48.046 52.213 37.531 1.00 16.57 ? 321 PRO X CA 1 ATOM 1858 C C . PRO A 1 236 ? 47.759 51.694 38.935 1.00 17.48 ? 321 PRO X C 1 ATOM 1859 O O . PRO A 1 236 ? 47.050 50.701 39.092 1.00 17.34 ? 321 PRO X O 1 ATOM 1860 C CB . PRO A 1 236 ? 46.974 53.200 37.089 1.00 16.62 ? 321 PRO X CB 1 ATOM 1861 C CG . PRO A 1 236 ? 45.982 52.360 36.330 1.00 16.47 ? 321 PRO X CG 1 ATOM 1862 C CD . PRO A 1 236 ? 46.783 51.321 35.638 1.00 15.72 ? 321 PRO X CD 1 ATOM 1863 N N . PRO A 1 237 ? 48.299 52.365 39.970 1.00 18.25 ? 322 PRO X N 1 ATOM 1864 C CA . PRO A 1 237 ? 48.175 51.916 41.351 1.00 18.87 ? 322 PRO X CA 1 ATOM 1865 C C . PRO A 1 237 ? 46.775 52.051 41.945 1.00 18.91 ? 322 PRO X C 1 ATOM 1866 O O . PRO A 1 237 ? 46.464 51.396 42.941 1.00 20.53 ? 322 PRO X O 1 ATOM 1867 C CB . PRO A 1 237 ? 49.161 52.832 42.097 1.00 19.22 ? 322 PRO X CB 1 ATOM 1868 C CG . PRO A 1 237 ? 49.186 54.054 41.285 1.00 18.57 ? 322 PRO X CG 1 ATOM 1869 C CD . PRO A 1 237 ? 49.085 53.604 39.863 1.00 19.06 ? 322 PRO X CD 1 ATOM 1870 N N . SER A 1 238 ? 45.942 52.891 41.341 1.00 19.03 ? 323 SER X N 1 ATOM 1871 C CA . SER A 1 238 ? 44.584 53.103 41.800 1.00 18.82 ? 323 SER X CA 1 ATOM 1872 C C . SER A 1 238 ? 43.629 53.264 40.628 1.00 17.79 ? 323 SER X C 1 ATOM 1873 O O . SER A 1 238 ? 44.050 53.452 39.483 1.00 17.54 ? 323 SER X O 1 ATOM 1874 C CB . SER A 1 238 ? 44.521 54.353 42.683 1.00 19.34 ? 323 SER X CB 1 ATOM 1875 O OG . SER A 1 238 ? 44.934 55.502 41.956 1.00 21.31 ? 323 SER X OG 1 ATOM 1876 N N . GLY A 1 239 ? 42.338 53.214 40.937 1.00 17.20 ? 324 GLY X N 1 ATOM 1877 C CA . GLY A 1 239 ? 41.283 53.311 39.938 1.00 16.75 ? 324 GLY X CA 1 ATOM 1878 C C . GLY A 1 239 ? 39.939 52.955 40.535 1.00 16.38 ? 324 GLY X C 1 ATOM 1879 O O . GLY A 1 239 ? 39.840 52.662 41.739 1.00 16.60 ? 324 GLY X O 1 ATOM 1880 N N . LYS A 1 240 ? 38.905 52.992 39.702 1.00 16.47 ? 325 LYS X N 1 ATOM 1881 C CA . LYS A 1 240 ? 37.561 52.552 40.105 1.00 16.52 ? 325 LYS X CA 1 ATOM 1882 C C . LYS A 1 240 ? 37.047 51.320 39.348 1.00 14.99 ? 325 LYS X C 1 ATOM 1883 O O . LYS A 1 240 ? 36.236 50.565 39.884 1.00 15.73 ? 325 LYS X O 1 ATOM 1884 C CB . LYS A 1 240 ? 36.544 53.684 39.987 1.00 17.69 ? 325 LYS X CB 1 ATOM 1885 C CG . LYS A 1 240 ? 36.465 54.352 38.669 1.00 22.15 ? 325 LYS X CG 1 ATOM 1886 C CD . LYS A 1 240 ? 35.950 55.794 38.817 1.00 26.31 ? 325 LYS X CD 1 ATOM 1887 C CE . LYS A 1 240 ? 35.799 56.479 37.473 1.00 27.86 ? 325 LYS X CE 1 ATOM 1888 N NZ . LYS A 1 240 ? 34.714 55.843 36.675 1.00 32.18 ? 325 LYS X NZ 1 ATOM 1889 N N A ASP A 1 241 ? 37.521 51.132 38.115 0.70 14.11 ? 326 ASP X N 1 ATOM 1890 N N B ASP A 1 241 ? 37.515 51.137 38.113 0.30 13.92 ? 326 ASP X N 1 ATOM 1891 C CA A ASP A 1 241 ? 37.136 49.998 37.294 0.70 13.33 ? 326 ASP X CA 1 ATOM 1892 C CA B ASP A 1 241 ? 37.143 49.992 37.293 0.30 12.87 ? 326 ASP X CA 1 ATOM 1893 C C A ASP A 1 241 ? 38.370 49.151 36.992 0.70 12.01 ? 326 ASP X C 1 ATOM 1894 C C B ASP A 1 241 ? 38.369 49.154 36.968 0.30 11.97 ? 326 ASP X C 1 ATOM 1895 O O A ASP A 1 241 ? 39.484 49.664 36.928 0.70 11.35 ? 326 ASP X O 1 ATOM 1896 O O B ASP A 1 241 ? 39.477 49.679 36.861 0.30 11.64 ? 326 ASP X O 1 ATOM 1897 C CB A ASP A 1 241 ? 36.529 50.496 35.980 0.70 13.60 ? 326 ASP X CB 1 ATOM 1898 C CB B ASP A 1 241 ? 36.513 50.468 35.985 0.30 12.78 ? 326 ASP X CB 1 ATOM 1899 C CG A ASP A 1 241 ? 35.291 51.356 36.199 0.70 16.80 ? 326 ASP X CG 1 ATOM 1900 C CG B ASP A 1 241 ? 35.141 51.068 36.189 0.30 13.46 ? 326 ASP X CG 1 ATOM 1901 O OD1 A ASP A 1 241 ? 34.312 50.848 36.785 0.70 21.24 ? 326 ASP X OD1 1 ATOM 1902 O OD1 B ASP A 1 241 ? 34.895 51.658 37.260 0.30 13.26 ? 326 ASP X OD1 1 ATOM 1903 O OD2 A ASP A 1 241 ? 35.299 52.534 35.802 0.70 20.62 ? 326 ASP X OD2 1 ATOM 1904 O OD2 B ASP A 1 241 ? 34.305 50.937 35.283 0.30 13.09 ? 326 ASP X OD2 1 ATOM 1905 N N . ARG A 1 242 ? 38.158 47.852 36.787 1.00 11.03 ? 327 ARG X N 1 ATOM 1906 C CA . ARG A 1 242 ? 39.230 46.956 36.355 1.00 10.42 ? 327 ARG X CA 1 ATOM 1907 C C . ARG A 1 242 ? 39.097 46.756 34.843 1.00 9.18 ? 327 ARG X C 1 ATOM 1908 O O . ARG A 1 242 ? 37.991 46.870 34.279 1.00 10.09 ? 327 ARG X O 1 ATOM 1909 C CB . ARG A 1 242 ? 39.170 45.628 37.093 1.00 10.29 ? 327 ARG X CB 1 ATOM 1910 C CG . ARG A 1 242 ? 39.392 45.727 38.614 1.00 10.40 ? 327 ARG X CG 1 ATOM 1911 C CD . ARG A 1 242 ? 40.828 46.008 39.000 1.00 11.15 ? 327 ARG X CD 1 ATOM 1912 N NE . ARG A 1 242 ? 40.982 45.960 40.458 1.00 10.30 ? 327 ARG X NE 1 ATOM 1913 C CZ . ARG A 1 242 ? 42.133 46.068 41.101 1.00 12.83 ? 327 ARG X CZ 1 ATOM 1914 N NH1 . ARG A 1 242 ? 43.264 46.257 40.433 1.00 12.51 ? 327 ARG X NH1 1 ATOM 1915 N NH2 . ARG A 1 242 ? 42.145 46.003 42.435 1.00 13.69 ? 327 ARG X NH2 1 ATOM 1916 N N . VAL A 1 243 ? 40.213 46.440 34.202 1.00 8.74 ? 328 VAL X N 1 ATOM 1917 C CA . VAL A 1 243 ? 40.259 46.274 32.753 1.00 8.45 ? 328 VAL X CA 1 ATOM 1918 C C . VAL A 1 243 ? 39.787 44.875 32.349 1.00 8.73 ? 328 VAL X C 1 ATOM 1919 O O . VAL A 1 243 ? 40.194 43.879 32.951 1.00 8.81 ? 328 VAL X O 1 ATOM 1920 C CB . VAL A 1 243 ? 41.710 46.432 32.233 1.00 8.03 ? 328 VAL X CB 1 ATOM 1921 C CG1 . VAL A 1 243 ? 41.763 46.280 30.730 1.00 10.07 ? 328 VAL X CG1 1 ATOM 1922 C CG2 . VAL A 1 243 ? 42.273 47.795 32.606 1.00 9.14 ? 328 VAL X CG2 1 ATOM 1923 N N . LYS A 1 244 ? 38.928 44.833 31.333 1.00 8.07 ? 329 LYS X N 1 ATOM 1924 C CA . LYS A 1 244 ? 38.553 43.586 30.667 1.00 7.89 ? 329 LYS X CA 1 ATOM 1925 C C . LYS A 1 244 ? 38.980 43.640 29.208 1.00 8.04 ? 329 LYS X C 1 ATOM 1926 O O . LYS A 1 244 ? 39.054 44.711 28.613 1.00 8.07 ? 329 LYS X O 1 ATOM 1927 C CB . LYS A 1 244 ? 37.043 43.283 30.766 1.00 8.64 ? 329 LYS X CB 1 ATOM 1928 C CG . LYS A 1 244 ? 36.138 44.328 30.166 1.00 7.98 ? 329 LYS X CG 1 ATOM 1929 C CD . LYS A 1 244 ? 34.670 43.932 30.296 1.00 8.74 ? 329 LYS X CD 1 ATOM 1930 C CE . LYS A 1 244 ? 33.806 44.898 29.521 1.00 10.50 ? 329 LYS X CE 1 ATOM 1931 N NZ . LYS A 1 244 ? 32.320 44.718 29.702 1.00 12.59 ? 329 LYS X NZ 1 ATOM 1932 N N . LYS A 1 245 ? 39.261 42.473 28.630 1.00 7.59 ? 330 LYS X N 1 ATOM 1933 C CA . LYS A 1 245 ? 39.829 42.397 27.283 1.00 7.07 ? 330 LYS X CA 1 ATOM 1934 C C . LYS A 1 245 ? 39.140 41.340 26.424 1.00 6.57 ? 330 LYS X C 1 ATOM 1935 O O . LYS A 1 245 ? 38.499 40.405 26.926 1.00 7.23 ? 330 LYS X O 1 ATOM 1936 C CB . LYS A 1 245 ? 41.313 42.047 27.356 1.00 6.98 ? 330 LYS X CB 1 ATOM 1937 C CG . LYS A 1 245 ? 42.177 43.092 28.071 1.00 7.64 ? 330 LYS X CG 1 ATOM 1938 C CD . LYS A 1 245 ? 42.502 44.302 27.197 1.00 7.68 ? 330 LYS X CD 1 ATOM 1939 C CE . LYS A 1 245 ? 43.663 44.064 26.254 1.00 9.25 ? 330 LYS X CE 1 ATOM 1940 N NZ . LYS A 1 245 ? 44.157 45.361 25.628 1.00 7.62 ? 330 LYS X NZ 1 ATOM 1941 N N . GLY A 1 246 ? 39.281 41.527 25.111 1.00 6.66 ? 331 GLY X N 1 ATOM 1942 C CA . GLY A 1 246 ? 39.026 40.462 24.150 1.00 7.02 ? 331 GLY X CA 1 ATOM 1943 C C . GLY A 1 246 ? 37.700 40.413 23.440 1.00 7.08 ? 331 GLY X C 1 ATOM 1944 O O . GLY A 1 246 ? 37.574 39.720 22.432 1.00 7.03 ? 331 GLY X O 1 ATOM 1945 N N . GLY A 1 247 ? 36.707 41.130 23.958 1.00 6.51 ? 332 GLY X N 1 ATOM 1946 C CA . GLY A 1 247 ? 35.350 41.044 23.423 1.00 7.11 ? 332 GLY X CA 1 ATOM 1947 C C . GLY A 1 247 ? 34.679 39.685 23.621 1.00 6.74 ? 332 GLY X C 1 ATOM 1948 O O . GLY A 1 247 ? 35.212 38.779 24.260 1.00 7.26 ? 332 GLY X O 1 ATOM 1949 N N . SER A 1 248 ? 33.475 39.567 23.078 1.00 6.96 ? 333 SER X N 1 ATOM 1950 C CA . SER A 1 248 ? 32.583 38.465 23.330 1.00 6.58 ? 333 SER X CA 1 ATOM 1951 C C . SER A 1 248 ? 31.765 38.092 22.099 1.00 7.13 ? 333 SER X C 1 ATOM 1952 O O . SER A 1 248 ? 31.897 38.677 21.014 1.00 7.02 ? 333 SER X O 1 ATOM 1953 C CB . SER A 1 248 ? 31.620 38.847 24.456 1.00 7.26 ? 333 SER X CB 1 ATOM 1954 O OG . SER A 1 248 ? 30.611 39.734 23.987 1.00 7.65 ? 333 SER X OG 1 ATOM 1955 N N . TYR A 1 249 ? 30.878 37.143 22.313 1.00 7.59 ? 334 TYR X N 1 ATOM 1956 C CA . TYR A 1 249 ? 29.957 36.672 21.277 1.00 7.66 ? 334 TYR X CA 1 ATOM 1957 C C . TYR A 1 249 ? 29.007 37.752 20.775 1.00 8.48 ? 334 TYR X C 1 ATOM 1958 O O . TYR A 1 249 ? 28.337 37.570 19.754 1.00 8.46 ? 334 TYR X O 1 ATOM 1959 C CB . TYR A 1 249 ? 29.161 35.470 21.789 1.00 8.45 ? 334 TYR X CB 1 ATOM 1960 C CG . TYR A 1 249 ? 28.184 35.725 22.914 1.00 8.90 ? 334 TYR X CG 1 ATOM 1961 C CD1 . TYR A 1 249 ? 28.489 35.362 24.218 1.00 9.47 ? 334 TYR X CD1 1 ATOM 1962 C CD2 . TYR A 1 249 ? 26.934 36.259 22.651 1.00 9.81 ? 334 TYR X CD2 1 ATOM 1963 C CE1 . TYR A 1 249 ? 27.572 35.567 25.239 1.00 10.28 ? 334 TYR X CE1 1 ATOM 1964 C CE2 . TYR A 1 249 ? 26.010 36.455 23.671 1.00 9.28 ? 334 TYR X CE2 1 ATOM 1965 C CZ . TYR A 1 249 ? 26.344 36.110 24.953 1.00 11.17 ? 334 TYR X CZ 1 ATOM 1966 O OH . TYR A 1 249 ? 25.434 36.300 25.993 1.00 13.61 ? 334 TYR X OH 1 ATOM 1967 N N A MET A 1 250 ? 28.937 38.867 21.500 0.70 8.85 ? 335 MET X N 1 ATOM 1968 N N B MET A 1 250 ? 28.952 38.870 21.491 0.30 8.59 ? 335 MET X N 1 ATOM 1969 C CA A MET A 1 250 ? 28.086 40.003 21.122 0.70 9.64 ? 335 MET X CA 1 ATOM 1970 C CA B MET A 1 250 ? 28.101 39.997 21.125 0.30 8.89 ? 335 MET X CA 1 ATOM 1971 C C A MET A 1 250 ? 28.739 41.013 20.181 0.70 9.95 ? 335 MET X C 1 ATOM 1972 C C B MET A 1 250 ? 28.726 40.938 20.095 0.30 9.43 ? 335 MET X C 1 ATOM 1973 O O A MET A 1 250 ? 28.047 41.891 19.650 0.70 10.68 ? 335 MET X O 1 ATOM 1974 O O B MET A 1 250 ? 27.999 41.644 19.385 0.30 9.57 ? 335 MET X O 1 ATOM 1975 C CB A MET A 1 250 ? 27.637 40.752 22.375 0.70 9.88 ? 335 MET X CB 1 ATOM 1976 C CB B MET A 1 250 ? 27.757 40.792 22.383 0.30 8.97 ? 335 MET X CB 1 ATOM 1977 C CG A MET A 1 250 ? 26.638 40.002 23.191 0.70 10.55 ? 335 MET X CG 1 ATOM 1978 C CG B MET A 1 250 ? 26.941 40.003 23.385 0.30 8.80 ? 335 MET X CG 1 ATOM 1979 S SD A MET A 1 250 ? 26.361 40.802 24.772 0.70 11.47 ? 335 MET X SD 1 ATOM 1980 S SD B MET A 1 250 ? 25.214 39.816 22.889 0.30 8.15 ? 335 MET X SD 1 ATOM 1981 C CE A MET A 1 250 ? 25.415 42.234 24.248 0.70 11.63 ? 335 MET X CE 1 ATOM 1982 C CE B MET A 1 250 ? 24.648 41.485 23.199 0.30 9.21 ? 335 MET X CE 1 ATOM 1983 N N . CYS A 1 251 ? 30.056 40.953 19.997 1.00 9.60 ? 336 CYS X N 1 ATOM 1984 C CA . CYS A 1 251 ? 30.745 42.028 19.267 1.00 11.36 ? 336 CYS X CA 1 ATOM 1985 C C . CYS A 1 251 ? 30.506 42.026 17.771 1.00 11.70 ? 336 CYS X C 1 ATOM 1986 O O . CYS A 1 251 ? 30.480 40.996 17.145 1.00 9.97 ? 336 CYS X O 1 ATOM 1987 C CB . CYS A 1 251 ? 32.245 41.984 19.467 1.00 11.50 ? 336 CYS X CB 1 ATOM 1988 S SG . CYS A 1 251 ? 32.819 42.165 21.152 1.00 18.38 ? 336 CYS X SG 1 ATOM 1989 N N . HIS A 1 252 ? 30.441 43.224 17.203 1.00 13.60 ? 337 HIS X N 1 ATOM 1990 C CA . HIS A 1 252 ? 30.338 43.389 15.758 1.00 14.56 ? 337 HIS X CA 1 ATOM 1991 C C . HIS A 1 252 ? 31.053 44.659 15.312 1.00 16.04 ? 337 HIS X C 1 ATOM 1992 O O . HIS A 1 252 ? 31.140 45.633 16.056 1.00 15.63 ? 337 HIS X O 1 ATOM 1993 C CB . HIS A 1 252 ? 28.877 43.446 15.336 1.00 14.49 ? 337 HIS X CB 1 ATOM 1994 C CG . HIS A 1 252 ? 28.672 43.268 13.864 1.00 15.41 ? 337 HIS X CG 1 ATOM 1995 N ND1 . HIS A 1 252 ? 28.796 44.307 12.966 1.00 18.46 ? 337 HIS X ND1 1 ATOM 1996 C CD2 . HIS A 1 252 ? 28.375 42.169 13.131 1.00 13.73 ? 337 HIS X CD2 1 ATOM 1997 C CE1 . HIS A 1 252 ? 28.582 43.853 11.743 1.00 16.59 ? 337 HIS X CE1 1 ATOM 1998 N NE2 . HIS A 1 252 ? 28.316 42.560 11.813 1.00 15.97 ? 337 HIS X NE2 1 ATOM 1999 N N . ARG A 1 253 ? 31.569 44.634 14.094 1.00 16.98 ? 338 ARG X N 1 ATOM 2000 C CA . ARG A 1 253 ? 32.276 45.779 13.513 1.00 18.58 ? 338 ARG X CA 1 ATOM 2001 C C . ARG A 1 253 ? 31.438 47.047 13.544 1.00 19.51 ? 338 ARG X C 1 ATOM 2002 O O . ARG A 1 253 ? 31.972 48.134 13.750 1.00 19.77 ? 338 ARG X O 1 ATOM 2003 C CB . ARG A 1 253 ? 32.647 45.465 12.061 1.00 18.66 ? 338 ARG X CB 1 ATOM 2004 C CG . ARG A 1 253 ? 33.425 46.572 11.351 1.00 20.10 ? 338 ARG X CG 1 ATOM 2005 C CD . ARG A 1 253 ? 34.809 46.688 11.922 1.00 21.19 ? 338 ARG X CD 1 ATOM 2006 N NE . ARG A 1 253 ? 35.556 47.820 11.384 1.00 22.93 ? 338 ARG X NE 1 ATOM 2007 C CZ . ARG A 1 253 ? 35.427 49.078 11.792 1.00 23.35 ? 338 ARG X CZ 1 ATOM 2008 N NH1 . ARG A 1 253 ? 34.557 49.414 12.748 1.00 24.31 ? 338 ARG X NH1 1 ATOM 2009 N NH2 . ARG A 1 253 ? 36.183 50.016 11.235 1.00 25.15 ? 338 ARG X NH2 1 ATOM 2010 N N . SER A 1 254 ? 30.136 46.892 13.344 1.00 20.47 ? 339 SER X N 1 ATOM 2011 C CA . SER A 1 254 ? 29.207 48.014 13.170 1.00 21.90 ? 339 SER X CA 1 ATOM 2012 C C . SER A 1 254 ? 28.870 48.805 14.417 1.00 22.18 ? 339 SER X C 1 ATOM 2013 O O . SER A 1 254 ? 28.396 49.937 14.305 1.00 23.11 ? 339 SER X O 1 ATOM 2014 C CB A SER A 1 254 ? 27.844 47.446 12.709 0.70 22.14 ? 339 SER X CB 1 ATOM 2015 C CB B SER A 1 254 ? 27.977 47.621 12.336 0.30 21.79 ? 339 SER X CB 1 ATOM 2016 O OG A SER A 1 254 ? 27.157 46.725 13.778 0.70 24.34 ? 339 SER X OG 1 ATOM 2017 O OG B SER A 1 254 ? 28.310 47.559 10.966 0.30 22.28 ? 339 SER X OG 1 ATOM 2018 N N A TYR A 1 255 ? 29.075 48.213 15.589 0.50 22.07 ? 340 TYR X N 1 ATOM 2019 N N B TYR A 1 255 ? 29.083 48.244 15.607 0.50 21.64 ? 340 TYR X N 1 ATOM 2020 C CA A TYR A 1 255 ? 28.780 48.882 16.854 0.50 22.25 ? 340 TYR X CA 1 ATOM 2021 C CA B TYR A 1 255 ? 28.644 48.936 16.830 0.50 21.53 ? 340 TYR X CA 1 ATOM 2022 C C A TYR A 1 255 ? 30.013 48.909 17.701 0.50 21.52 ? 340 TYR X C 1 ATOM 2023 C C B TYR A 1 255 ? 29.648 48.908 17.978 0.50 21.03 ? 340 TYR X C 1 ATOM 2024 O O A TYR A 1 255 ? 30.451 49.956 18.172 0.50 22.33 ? 340 TYR X O 1 ATOM 2025 O O B TYR A 1 255 ? 29.458 49.597 18.982 0.50 20.68 ? 340 TYR X O 1 ATOM 2026 C CB A TYR A 1 255 ? 27.692 48.129 17.629 0.50 23.02 ? 340 TYR X CB 1 ATOM 2027 C CB B TYR A 1 255 ? 27.270 48.412 17.296 0.50 21.82 ? 340 TYR X CB 1 ATOM 2028 C CG A TYR A 1 255 ? 27.781 48.288 19.145 0.50 23.69 ? 340 TYR X CG 1 ATOM 2029 C CG B TYR A 1 255 ? 27.350 47.251 18.262 0.50 21.68 ? 340 TYR X CG 1 ATOM 2030 C CD1 A TYR A 1 255 ? 27.150 49.347 19.799 0.50 23.56 ? 340 TYR X CD1 1 ATOM 2031 C CD1 B TYR A 1 255 ? 27.304 47.459 19.642 0.50 22.23 ? 340 TYR X CD1 1 ATOM 2032 C CD2 A TYR A 1 255 ? 28.492 47.374 19.922 0.50 24.02 ? 340 TYR X CD2 1 ATOM 2033 C CD2 B TYR A 1 255 ? 27.481 45.953 17.799 0.50 22.26 ? 340 TYR X CD2 1 ATOM 2034 C CE1 A TYR A 1 255 ? 27.231 49.492 21.179 0.50 23.90 ? 340 TYR X CE1 1 ATOM 2035 C CE1 B TYR A 1 255 ? 27.402 46.398 20.529 0.50 21.77 ? 340 TYR X CE1 1 ATOM 2036 C CE2 A TYR A 1 255 ? 28.576 47.509 21.299 0.50 24.14 ? 340 TYR X CE2 1 ATOM 2037 C CE2 B TYR A 1 255 ? 27.572 44.886 18.678 0.50 21.88 ? 340 TYR X CE2 1 ATOM 2038 C CZ A TYR A 1 255 ? 27.947 48.570 21.925 0.50 24.13 ? 340 TYR X CZ 1 ATOM 2039 C CZ B TYR A 1 255 ? 27.534 45.118 20.040 0.50 21.29 ? 340 TYR X CZ 1 ATOM 2040 O OH A TYR A 1 255 ? 28.025 48.709 23.298 0.50 24.49 ? 340 TYR X OH 1 ATOM 2041 O OH B TYR A 1 255 ? 27.614 44.067 20.919 0.50 22.01 ? 340 TYR X OH 1 ATOM 2042 N N A CYS A 1 256 ? 30.569 47.721 17.882 0.50 20.06 ? 341 CYS X N 1 ATOM 2043 N N B CYS A 1 256 ? 30.728 48.144 17.861 0.50 20.63 ? 341 CYS X N 1 ATOM 2044 C CA A CYS A 1 256 ? 31.436 47.450 19.001 0.50 18.87 ? 341 CYS X CA 1 ATOM 2045 C CA B CYS A 1 256 ? 31.662 48.122 18.976 0.50 20.27 ? 341 CYS X CA 1 ATOM 2046 C C A CYS A 1 256 ? 32.618 46.597 18.550 0.50 17.57 ? 341 CYS X C 1 ATOM 2047 C C B CYS A 1 256 ? 33.139 47.893 18.611 0.50 19.17 ? 341 CYS X C 1 ATOM 2048 O O A CYS A 1 256 ? 32.671 45.398 18.789 0.50 17.10 ? 341 CYS X O 1 ATOM 2049 O O B CYS A 1 256 ? 34.030 48.535 19.155 0.50 20.35 ? 341 CYS X O 1 ATOM 2050 C CB A CYS A 1 256 ? 30.615 46.736 20.077 0.50 19.07 ? 341 CYS X CB 1 ATOM 2051 C CB B CYS A 1 256 ? 31.201 47.087 19.983 0.50 20.75 ? 341 CYS X CB 1 ATOM 2052 S SG A CYS A 1 256 ? 29.475 45.504 19.406 0.50 20.00 ? 341 CYS X SG 1 ATOM 2053 S SG B CYS A 1 256 ? 31.790 45.497 19.573 0.50 22.03 ? 341 CYS X SG 1 ATOM 2054 N N A TYR A 1 257 ? 33.564 47.250 17.886 0.50 15.94 ? 342 TYR X N 1 ATOM 2055 N N B TYR A 1 257 ? 33.379 46.986 17.689 0.50 17.35 ? 342 TYR X N 1 ATOM 2056 C CA . TYR A 1 257 ? 34.729 46.606 17.256 1.00 15.38 ? 342 TYR X CA 1 ATOM 2057 C C . TYR A 1 257 ? 35.753 46.255 18.335 1.00 14.28 ? 342 TYR X C 1 ATOM 2058 O O . TYR A 1 257 ? 36.898 46.678 18.266 1.00 12.57 ? 342 TYR X O 1 ATOM 2059 C CB . TYR A 1 257 ? 35.306 47.625 16.268 1.00 14.97 ? 342 TYR X CB 1 ATOM 2060 C CG . TYR A 1 257 ? 36.387 47.150 15.315 1.00 14.21 ? 342 TYR X CG 1 ATOM 2061 C CD1 . TYR A 1 257 ? 36.636 45.789 15.079 1.00 13.88 ? 342 TYR X CD1 1 ATOM 2062 C CD2 . TYR A 1 257 ? 37.153 48.075 14.617 1.00 15.21 ? 342 TYR X CD2 1 ATOM 2063 C CE1 . TYR A 1 257 ? 37.623 45.391 14.171 1.00 13.85 ? 342 TYR X CE1 1 ATOM 2064 C CE2 . TYR A 1 257 ? 38.134 47.682 13.733 1.00 14.88 ? 342 TYR X CE2 1 ATOM 2065 C CZ . TYR A 1 257 ? 38.370 46.349 13.514 1.00 14.40 ? 342 TYR X CZ 1 ATOM 2066 O OH . TYR A 1 257 ? 39.368 46.007 12.621 1.00 15.45 ? 342 TYR X OH 1 ATOM 2067 N N . ARG A 1 258 ? 35.355 45.449 19.316 1.00 13.23 ? 343 ARG X N 1 ATOM 2068 C CA . ARG A 1 258 ? 36.204 45.177 20.483 1.00 12.95 ? 343 ARG X CA 1 ATOM 2069 C C . ARG A 1 258 ? 36.792 43.754 20.557 1.00 12.35 ? 343 ARG X C 1 ATOM 2070 O O . ARG A 1 258 ? 37.256 43.307 21.610 1.00 13.04 ? 343 ARG X O 1 ATOM 2071 C CB A ARG A 1 258 ? 35.487 45.593 21.776 0.70 13.61 ? 343 ARG X CB 1 ATOM 2072 C CB B ARG A 1 258 ? 35.421 45.468 21.762 0.30 13.02 ? 343 ARG X CB 1 ATOM 2073 C CG A ARG A 1 258 ? 35.420 47.128 21.927 0.70 14.10 ? 343 ARG X CG 1 ATOM 2074 C CG B ARG A 1 258 ? 34.693 46.799 21.751 0.30 12.74 ? 343 ARG X CG 1 ATOM 2075 C CD A ARG A 1 258 ? 35.303 47.571 23.390 0.70 15.16 ? 343 ARG X CD 1 ATOM 2076 C CD B ARG A 1 258 ? 33.791 46.924 22.951 0.30 13.29 ? 343 ARG X CD 1 ATOM 2077 N NE A ARG A 1 258 ? 35.134 49.020 23.576 0.70 15.61 ? 343 ARG X NE 1 ATOM 2078 N NE B ARG A 1 258 ? 33.252 48.276 23.088 0.30 14.36 ? 343 ARG X NE 1 ATOM 2079 C CZ A ARG A 1 258 ? 34.011 49.682 23.325 0.70 17.85 ? 343 ARG X CZ 1 ATOM 2080 C CZ B ARG A 1 258 ? 33.874 49.298 23.680 0.30 14.59 ? 343 ARG X CZ 1 ATOM 2081 N NH1 A ARG A 1 258 ? 32.944 49.037 22.870 0.70 20.91 ? 343 ARG X NH1 1 ATOM 2082 N NH1 B ARG A 1 258 ? 35.082 49.153 24.211 0.30 14.05 ? 343 ARG X NH1 1 ATOM 2083 N NH2 A ARG A 1 258 ? 33.949 50.995 23.532 0.70 19.78 ? 343 ARG X NH2 1 ATOM 2084 N NH2 B ARG A 1 258 ? 33.274 50.480 23.745 0.30 15.73 ? 343 ARG X NH2 1 ATOM 2085 N N . TYR A 1 259 ? 36.855 43.076 19.416 1.00 11.06 ? 344 TYR X N 1 ATOM 2086 C CA . TYR A 1 259 ? 37.438 41.733 19.335 1.00 10.64 ? 344 TYR X CA 1 ATOM 2087 C C . TYR A 1 259 ? 38.849 41.787 18.740 1.00 10.38 ? 344 TYR X C 1 ATOM 2088 O O . TYR A 1 259 ? 39.307 40.846 18.115 1.00 11.18 ? 344 TYR X O 1 ATOM 2089 C CB . TYR A 1 259 ? 36.529 40.797 18.527 1.00 11.35 ? 344 TYR X CB 1 ATOM 2090 C CG . TYR A 1 259 ? 36.058 41.364 17.203 1.00 10.30 ? 344 TYR X CG 1 ATOM 2091 C CD1 . TYR A 1 259 ? 36.741 41.109 16.037 1.00 12.18 ? 344 TYR X CD1 1 ATOM 2092 C CD2 . TYR A 1 259 ? 34.915 42.148 17.121 1.00 10.78 ? 344 TYR X CD2 1 ATOM 2093 C CE1 . TYR A 1 259 ? 36.292 41.633 14.809 1.00 11.96 ? 344 TYR X CE1 1 ATOM 2094 C CE2 . TYR A 1 259 ? 34.468 42.688 15.915 1.00 12.58 ? 344 TYR X CE2 1 ATOM 2095 C CZ . TYR A 1 259 ? 35.155 42.434 14.760 1.00 12.86 ? 344 TYR X CZ 1 ATOM 2096 O OH . TYR A 1 259 ? 34.695 42.962 13.561 1.00 13.99 ? 344 TYR X OH 1 ATOM 2097 N N . ARG A 1 260 ? 39.535 42.908 18.945 1.00 9.20 ? 345 ARG X N 1 ATOM 2098 C CA . ARG A 1 260 ? 40.947 43.056 18.593 1.00 8.43 ? 345 ARG X CA 1 ATOM 2099 C C . ARG A 1 260 ? 41.776 42.940 19.850 1.00 8.17 ? 345 ARG X C 1 ATOM 2100 O O . ARG A 1 260 ? 41.335 43.334 20.923 1.00 8.27 ? 345 ARG X O 1 ATOM 2101 C CB . ARG A 1 260 ? 41.222 44.443 17.996 1.00 9.01 ? 345 ARG X CB 1 ATOM 2102 C CG . ARG A 1 260 ? 40.574 44.707 16.642 1.00 7.43 ? 345 ARG X CG 1 ATOM 2103 C CD . ARG A 1 260 ? 40.617 46.188 16.270 1.00 9.73 ? 345 ARG X CD 1 ATOM 2104 N NE . ARG A 1 260 ? 39.674 46.924 17.112 1.00 9.36 ? 345 ARG X NE 1 ATOM 2105 C CZ . ARG A 1 260 ? 39.992 47.904 17.953 1.00 11.59 ? 345 ARG X CZ 1 ATOM 2106 N NH1 . ARG A 1 260 ? 41.242 48.339 18.056 1.00 11.27 ? 345 ARG X NH1 1 ATOM 2107 N NH2 . ARG A 1 260 ? 39.031 48.469 18.673 1.00 11.35 ? 345 ARG X NH2 1 ATOM 2108 N N . CYS A 1 261 ? 43.009 42.458 19.735 1.00 8.01 ? 346 CYS X N 1 ATOM 2109 C CA . CYS A 1 261 ? 43.826 42.315 20.944 1.00 8.21 ? 346 CYS X CA 1 ATOM 2110 C C . CYS A 1 261 ? 44.081 43.687 21.600 1.00 7.93 ? 346 CYS X C 1 ATOM 2111 O O . CYS A 1 261 ? 44.190 43.780 22.825 1.00 8.50 ? 346 CYS X O 1 ATOM 2112 C CB . CYS A 1 261 ? 45.157 41.651 20.644 1.00 8.38 ? 346 CYS X CB 1 ATOM 2113 S SG . CYS A 1 261 ? 45.026 39.904 20.166 1.00 9.08 ? 346 CYS X SG 1 ATOM 2114 N N . ALA A 1 262 ? 44.205 44.737 20.791 1.00 8.24 ? 347 ALA X N 1 ATOM 2115 C CA . ALA A 1 262 ? 44.495 46.072 21.334 1.00 8.43 ? 347 ALA X CA 1 ATOM 2116 C C . ALA A 1 262 ? 43.296 46.730 22.004 1.00 9.04 ? 347 ALA X C 1 ATOM 2117 O O . ALA A 1 262 ? 43.457 47.714 22.760 1.00 9.16 ? 347 ALA X O 1 ATOM 2118 C CB . ALA A 1 262 ? 45.021 46.996 20.250 1.00 8.84 ? 347 ALA X CB 1 ATOM 2119 N N . ALA A 1 263 ? 42.090 46.252 21.703 1.00 8.40 ? 348 ALA X N 1 ATOM 2120 C CA . ALA A 1 263 ? 40.883 46.831 22.296 1.00 8.91 ? 348 ALA X CA 1 ATOM 2121 C C . ALA A 1 263 ? 40.880 46.612 23.805 1.00 8.47 ? 348 ALA X C 1 ATOM 2122 O O . ALA A 1 263 ? 41.591 45.758 24.337 1.00 7.91 ? 348 ALA X O 1 ATOM 2123 C CB . ALA A 1 263 ? 39.633 46.220 21.676 1.00 9.89 ? 348 ALA X CB 1 ATOM 2124 N N . ARG A 1 264 ? 40.085 47.410 24.505 1.00 9.44 ? 349 ARG X N 1 ATOM 2125 C CA . ARG A 1 264 ? 40.047 47.325 25.956 1.00 9.40 ? 349 ARG X CA 1 ATOM 2126 C C . ARG A 1 264 ? 38.808 48.001 26.473 1.00 10.20 ? 349 ARG X C 1 ATOM 2127 O O . ARG A 1 264 ? 38.358 49.000 25.921 1.00 10.76 ? 349 ARG X O 1 ATOM 2128 C CB . ARG A 1 264 ? 41.302 47.959 26.578 1.00 9.54 ? 349 ARG X CB 1 ATOM 2129 C CG . ARG A 1 264 ? 41.565 49.403 26.134 1.00 10.19 ? 349 ARG X CG 1 ATOM 2130 C CD . ARG A 1 264 ? 43.016 49.788 26.292 1.00 10.41 ? 349 ARG X CD 1 ATOM 2131 N NE . ARG A 1 264 ? 43.506 49.579 27.638 1.00 10.14 ? 349 ARG X NE 1 ATOM 2132 C CZ . ARG A 1 264 ? 43.460 50.471 28.623 1.00 9.95 ? 349 ARG X CZ 1 ATOM 2133 N NH1 . ARG A 1 264 ? 42.927 51.671 28.414 1.00 10.80 ? 349 ARG X NH1 1 ATOM 2134 N NH2 . ARG A 1 264 ? 43.933 50.157 29.818 1.00 10.37 ? 349 ARG X NH2 1 ATOM 2135 N N A SER A 1 265 ? 38.248 47.478 27.565 0.60 9.77 ? 350 SER X N 1 ATOM 2136 N N B SER A 1 265 ? 38.230 47.401 27.493 0.40 10.21 ? 350 SER X N 1 ATOM 2137 C CA A SER A 1 265 ? 37.093 48.124 28.223 0.60 10.17 ? 350 SER X CA 1 ATOM 2138 C CA B SER A 1 265 ? 37.124 48.012 28.165 0.40 10.85 ? 350 SER X CA 1 ATOM 2139 C C A SER A 1 265 ? 37.135 47.915 29.738 0.60 10.25 ? 350 SER X C 1 ATOM 2140 C C B SER A 1 265 ? 37.324 47.781 29.643 0.40 10.58 ? 350 SER X C 1 ATOM 2141 O O A SER A 1 265 ? 38.079 47.334 30.238 0.60 8.88 ? 350 SER X O 1 ATOM 2142 O O B SER A 1 265 ? 38.404 47.417 30.096 0.40 10.21 ? 350 SER X O 1 ATOM 2143 C CB A SER A 1 265 ? 35.799 47.599 27.627 0.60 10.67 ? 350 SER X CB 1 ATOM 2144 C CB B SER A 1 265 ? 35.808 47.437 27.657 0.40 11.29 ? 350 SER X CB 1 ATOM 2145 O OG A SER A 1 265 ? 34.684 48.367 28.041 0.60 10.06 ? 350 SER X OG 1 ATOM 2146 O OG B SER A 1 265 ? 35.501 47.978 26.386 0.40 12.79 ? 350 SER X OG 1 ATOM 2147 N N A GLN A 1 266 ? 36.136 48.404 30.476 0.70 10.84 ? 351 GLN X N 1 ATOM 2148 N N B GLN A 1 266 ? 36.267 48.041 30.408 0.30 10.83 ? 351 GLN X N 1 ATOM 2149 C CA A GLN A 1 266 ? 36.232 48.389 31.929 0.70 12.20 ? 351 GLN X CA 1 ATOM 2150 C CA B GLN A 1 266 ? 36.357 48.001 31.860 0.30 11.35 ? 351 GLN X CA 1 ATOM 2151 C C A GLN A 1 266 ? 34.921 48.012 32.553 0.70 12.05 ? 351 GLN X C 1 ATOM 2152 C C B GLN A 1 266 ? 34.989 47.988 32.539 0.30 11.54 ? 351 GLN X C 1 ATOM 2153 O O A GLN A 1 266 ? 33.875 48.098 31.912 0.70 12.09 ? 351 GLN X O 1 ATOM 2154 O O B GLN A 1 266 ? 33.983 48.362 31.937 0.30 11.46 ? 351 GLN X O 1 ATOM 2155 C CB A GLN A 1 266 ? 36.686 49.757 32.417 0.70 13.03 ? 351 GLN X CB 1 ATOM 2156 C CB B GLN A 1 266 ? 37.182 49.193 32.367 0.30 11.53 ? 351 GLN X CB 1 ATOM 2157 C CG A GLN A 1 266 ? 35.639 50.856 32.365 0.70 15.41 ? 351 GLN X CG 1 ATOM 2158 C CG B GLN A 1 266 ? 36.426 50.516 32.571 0.30 12.23 ? 351 GLN X CG 1 ATOM 2159 C CD A GLN A 1 266 ? 35.585 51.578 31.038 0.70 20.08 ? 351 GLN X CD 1 ATOM 2160 C CD B GLN A 1 266 ? 35.757 51.031 31.323 0.30 14.41 ? 351 GLN X CD 1 ATOM 2161 O OE1 A GLN A 1 266 ? 35.553 50.954 29.968 0.70 22.87 ? 351 GLN X OE1 1 ATOM 2162 O OE1 B GLN A 1 266 ? 34.561 51.323 31.331 0.30 15.90 ? 351 GLN X OE1 1 ATOM 2163 N NE2 A GLN A 1 266 ? 35.553 52.898 31.095 0.70 22.12 ? 351 GLN X NE2 1 ATOM 2164 N NE2 B GLN A 1 266 ? 36.523 51.155 30.238 0.30 14.68 ? 351 GLN X NE2 1 ATOM 2165 N N . ASN A 1 267 ? 34.989 47.563 33.801 1.00 11.66 ? 352 ASN X N 1 ATOM 2166 C CA . ASN A 1 267 ? 33.796 47.477 34.636 1.00 12.27 ? 352 ASN X CA 1 ATOM 2167 C C . ASN A 1 267 ? 34.209 47.589 36.097 1.00 11.96 ? 352 ASN X C 1 ATOM 2168 O O . ASN A 1 267 ? 35.353 47.262 36.465 1.00 11.39 ? 352 ASN X O 1 ATOM 2169 C CB . ASN A 1 267 ? 33.078 46.144 34.455 1.00 13.10 ? 352 ASN X CB 1 ATOM 2170 C CG . ASN A 1 267 ? 32.157 46.115 33.265 1.00 15.44 ? 352 ASN X CG 1 ATOM 2171 O OD1 . ASN A 1 267 ? 32.361 45.322 32.359 1.00 15.38 ? 352 ASN X OD1 1 ATOM 2172 N ND2 . ASN A 1 267 ? 31.130 46.985 33.256 1.00 14.66 ? 352 ASN X ND2 1 ATOM 2173 N N . THR A 1 268 ? 33.279 48.003 36.964 1.00 12.42 ? 353 THR X N 1 ATOM 2174 C CA . THR A 1 268 ? 33.598 47.995 38.393 1.00 12.62 ? 353 THR X CA 1 ATOM 2175 C C . THR A 1 268 ? 33.839 46.538 38.803 1.00 11.81 ? 353 THR X C 1 ATOM 2176 O O . THR A 1 268 ? 33.199 45.640 38.243 1.00 11.52 ? 353 THR X O 1 ATOM 2177 C CB . THR A 1 268 ? 32.487 48.593 39.275 1.00 13.01 ? 353 THR X CB 1 ATOM 2178 O OG1 . THR A 1 268 ? 31.275 47.869 39.070 1.00 15.70 ? 353 THR X OG1 1 ATOM 2179 C CG2 . THR A 1 268 ? 32.293 50.090 38.976 1.00 14.79 ? 353 THR X CG2 1 ATOM 2180 N N . PRO A 1 269 ? 34.750 46.299 39.769 1.00 12.42 ? 354 PRO X N 1 ATOM 2181 C CA . PRO A 1 269 ? 35.108 44.919 40.108 1.00 12.14 ? 354 PRO X CA 1 ATOM 2182 C C . PRO A 1 269 ? 33.977 44.041 40.654 1.00 12.15 ? 354 PRO X C 1 ATOM 2183 O O . PRO A 1 269 ? 34.111 42.826 40.620 1.00 12.72 ? 354 PRO X O 1 ATOM 2184 C CB . PRO A 1 269 ? 36.245 45.062 41.127 1.00 12.68 ? 354 PRO X CB 1 ATOM 2185 C CG . PRO A 1 269 ? 36.303 46.480 41.487 1.00 13.61 ? 354 PRO X CG 1 ATOM 2186 C CD . PRO A 1 269 ? 35.568 47.282 40.502 1.00 12.73 ? 354 PRO X CD 1 ATOM 2187 N N . ASP A 1 270 ? 32.887 44.645 41.142 1.00 12.13 ? 355 ASP X N 1 ATOM 2188 C CA . ASP A 1 270 ? 31.742 43.880 41.600 1.00 12.99 ? 355 ASP X CA 1 ATOM 2189 C C . ASP A 1 270 ? 30.694 43.659 40.525 1.00 12.63 ? 355 ASP X C 1 ATOM 2190 O O . ASP A 1 270 ? 29.636 43.096 40.826 1.00 14.19 ? 355 ASP X O 1 ATOM 2191 C CB . ASP A 1 270 ? 31.083 44.526 42.824 1.00 13.55 ? 355 ASP X CB 1 ATOM 2192 C CG . ASP A 1 270 ? 30.531 45.903 42.538 1.00 17.58 ? 355 ASP X CG 1 ATOM 2193 O OD1 . ASP A 1 270 ? 30.712 46.425 41.424 1.00 20.36 ? 355 ASP X OD1 1 ATOM 2194 O OD2 . ASP A 1 270 ? 29.924 46.488 43.467 1.00 24.67 ? 355 ASP X OD2 1 ATOM 2195 N N . SER A 1 271 ? 31.004 44.042 39.282 1.00 12.30 ? 356 SER X N 1 ATOM 2196 C CA . SER A 1 271 ? 30.097 43.874 38.140 1.00 12.52 ? 356 SER X CA 1 ATOM 2197 C C . SER A 1 271 ? 30.107 42.448 37.640 1.00 10.97 ? 356 SER X C 1 ATOM 2198 O O . SER A 1 271 ? 31.116 41.767 37.755 1.00 10.34 ? 356 SER X O 1 ATOM 2199 C CB . SER A 1 271 ? 30.568 44.727 36.939 1.00 13.06 ? 356 SER X CB 1 ATOM 2200 O OG . SER A 1 271 ? 30.566 46.110 37.179 1.00 17.53 ? 356 SER X OG 1 ATOM 2201 N N . SER A 1 272 ? 29.011 42.037 37.016 1.00 9.93 ? 357 SER X N 1 ATOM 2202 C CA . SER A 1 272 ? 28.940 40.745 36.347 1.00 9.52 ? 357 SER X CA 1 ATOM 2203 C C . SER A 1 272 ? 27.942 40.835 35.190 1.00 9.31 ? 357 SER X C 1 ATOM 2204 O O . SER A 1 272 ? 27.017 41.665 35.206 1.00 9.62 ? 357 SER X O 1 ATOM 2205 C CB . SER A 1 272 ? 28.529 39.660 37.335 1.00 10.13 ? 357 SER X CB 1 ATOM 2206 O OG . SER A 1 272 ? 27.284 39.951 37.930 1.00 11.38 ? 357 SER X OG 1 ATOM 2207 N N . ALA A 1 273 ? 28.109 39.985 34.186 1.00 8.24 ? 358 ALA X N 1 ATOM 2208 C CA . ALA A 1 273 ? 27.243 40.011 33.007 1.00 7.85 ? 358 ALA X CA 1 ATOM 2209 C C . ALA A 1 273 ? 27.283 38.679 32.271 1.00 7.24 ? 358 ALA X C 1 ATOM 2210 O O . ALA A 1 273 ? 28.205 37.876 32.478 1.00 7.35 ? 358 ALA X O 1 ATOM 2211 C CB . ALA A 1 273 ? 27.658 41.110 32.071 1.00 8.36 ? 358 ALA X CB 1 ATOM 2212 N N . SER A 1 274 ? 26.306 38.472 31.389 1.00 7.36 ? 359 SER X N 1 ATOM 2213 C CA . SER A 1 274 ? 26.153 37.219 30.664 1.00 7.22 ? 359 SER X CA 1 ATOM 2214 C C . SER A 1 274 ? 27.137 37.039 29.486 1.00 7.28 ? 359 SER X C 1 ATOM 2215 O O . SER A 1 274 ? 27.012 36.080 28.721 1.00 8.03 ? 359 SER X O 1 ATOM 2216 C CB . SER A 1 274 ? 24.722 37.115 30.164 1.00 7.73 ? 359 SER X CB 1 ATOM 2217 O OG . SER A 1 274 ? 24.428 38.163 29.251 1.00 9.07 ? 359 SER X OG 1 ATOM 2218 N N . ASN A 1 275 ? 28.076 37.963 29.331 1.00 6.60 ? 360 ASN X N 1 ATOM 2219 C CA . ASN A 1 275 ? 29.121 37.847 28.320 1.00 6.82 ? 360 ASN X CA 1 ATOM 2220 C C . ASN A 1 275 ? 30.533 38.058 28.863 1.00 7.30 ? 360 ASN X C 1 ATOM 2221 O O . ASN A 1 275 ? 31.451 38.306 28.082 1.00 8.18 ? 360 ASN X O 1 ATOM 2222 C CB . ASN A 1 275 ? 28.874 38.831 27.161 1.00 7.24 ? 360 ASN X CB 1 ATOM 2223 C CG . ASN A 1 275 ? 29.119 40.260 27.533 1.00 8.87 ? 360 ASN X CG 1 ATOM 2224 O OD1 . ASN A 1 275 ? 29.202 40.600 28.712 1.00 9.48 ? 360 ASN X OD1 1 ATOM 2225 N ND2 . ASN A 1 275 ? 29.233 41.137 26.511 1.00 9.56 ? 360 ASN X ND2 1 ATOM 2226 N N . LEU A 1 276 ? 30.707 37.912 30.171 1.00 6.42 ? 361 LEU X N 1 ATOM 2227 C CA . LEU A 1 276 ? 31.949 38.251 30.837 1.00 6.94 ? 361 LEU X CA 1 ATOM 2228 C C . LEU A 1 276 ? 32.395 37.097 31.732 1.00 6.62 ? 361 LEU X C 1 ATOM 2229 O O . LEU A 1 276 ? 31.660 36.670 32.630 1.00 7.48 ? 361 LEU X O 1 ATOM 2230 C CB . LEU A 1 276 ? 31.775 39.538 31.613 1.00 7.17 ? 361 LEU X CB 1 ATOM 2231 C CG . LEU A 1 276 ? 32.867 39.969 32.593 1.00 8.04 ? 361 LEU X CG 1 ATOM 2232 C CD1 . LEU A 1 276 ? 34.201 40.164 31.921 1.00 7.51 ? 361 LEU X CD1 1 ATOM 2233 C CD2 . LEU A 1 276 ? 32.400 41.268 33.253 1.00 8.72 ? 361 LEU X CD2 1 ATOM 2234 N N . GLY A 1 277 ? 33.602 36.598 31.427 1.00 6.62 ? 362 GLY X N 1 ATOM 2235 C CA . GLY A 1 277 ? 34.257 35.522 32.173 1.00 6.21 ? 362 GLY X CA 1 ATOM 2236 C C . GLY A 1 277 ? 35.721 35.881 32.373 1.00 6.48 ? 362 GLY X C 1 ATOM 2237 O O . GLY A 1 277 ? 36.067 37.055 32.579 1.00 6.10 ? 362 GLY X O 1 ATOM 2238 N N . PHE A 1 278 ? 36.581 34.866 32.307 1.00 6.84 ? 363 PHE X N 1 ATOM 2239 C CA . PHE A 1 278 ? 38.001 35.061 32.597 1.00 6.45 ? 363 PHE X CA 1 ATOM 2240 C C . PHE A 1 278 ? 38.812 33.808 32.337 1.00 6.85 ? 363 PHE X C 1 ATOM 2241 O O . PHE A 1 278 ? 38.241 32.712 32.193 1.00 6.67 ? 363 PHE X O 1 ATOM 2242 C CB . PHE A 1 278 ? 38.230 35.506 34.050 1.00 6.18 ? 363 PHE X CB 1 ATOM 2243 C CG . PHE A 1 278 ? 37.894 34.453 35.070 1.00 6.01 ? 363 PHE X CG 1 ATOM 2244 C CD1 . PHE A 1 278 ? 38.897 33.745 35.710 1.00 7.17 ? 363 PHE X CD1 1 ATOM 2245 C CD2 . PHE A 1 278 ? 36.593 34.178 35.409 1.00 7.37 ? 363 PHE X CD2 1 ATOM 2246 C CE1 . PHE A 1 278 ? 38.568 32.761 36.650 1.00 7.84 ? 363 PHE X CE1 1 ATOM 2247 C CE2 . PHE A 1 278 ? 36.280 33.195 36.352 1.00 6.50 ? 363 PHE X CE2 1 ATOM 2248 C CZ . PHE A 1 278 ? 37.262 32.496 36.962 1.00 7.23 ? 363 PHE X CZ 1 ATOM 2249 N N . ARG A 1 279 ? 40.129 33.999 32.261 1.00 6.62 ? 364 ARG X N 1 ATOM 2250 C CA . ARG A 1 279 ? 41.085 32.894 32.343 1.00 6.65 ? 364 ARG X CA 1 ATOM 2251 C C . ARG A 1 279 ? 42.178 33.301 33.330 1.00 6.65 ? 364 ARG X C 1 ATOM 2252 O O . ARG A 1 279 ? 42.350 34.482 33.633 1.00 7.07 ? 364 ARG X O 1 ATOM 2253 C CB . ARG A 1 279 ? 41.699 32.561 30.981 1.00 6.31 ? 364 ARG X CB 1 ATOM 2254 C CG . ARG A 1 279 ? 42.698 33.556 30.440 1.00 7.00 ? 364 ARG X CG 1 ATOM 2255 C CD . ARG A 1 279 ? 43.211 33.174 29.068 1.00 7.61 ? 364 ARG X CD 1 ATOM 2256 N NE . ARG A 1 279 ? 42.142 33.299 28.094 1.00 6.30 ? 364 ARG X NE 1 ATOM 2257 C CZ . ARG A 1 279 ? 41.878 32.447 27.106 1.00 7.05 ? 364 ARG X CZ 1 ATOM 2258 N NH1 . ARG A 1 279 ? 42.625 31.369 26.906 1.00 7.44 ? 364 ARG X NH1 1 ATOM 2259 N NH2 . ARG A 1 279 ? 40.846 32.689 26.310 1.00 6.14 ? 364 ARG X NH2 1 ATOM 2260 N N . CYS A 1 280 ? 42.903 32.303 33.827 1.00 7.00 ? 365 CYS X N 1 ATOM 2261 C CA . CYS A 1 280 ? 43.980 32.557 34.768 1.00 7.25 ? 365 CYS X CA 1 ATOM 2262 C C . CYS A 1 280 ? 45.372 32.472 34.141 1.00 7.74 ? 365 CYS X C 1 ATOM 2263 O O . CYS A 1 280 ? 45.556 31.936 33.046 1.00 7.99 ? 365 CYS X O 1 ATOM 2264 C CB . CYS A 1 280 ? 43.918 31.578 35.942 1.00 7.72 ? 365 CYS X CB 1 ATOM 2265 S SG . CYS A 1 280 ? 42.316 31.443 36.780 1.00 8.90 ? 365 CYS X SG 1 ATOM 2266 N N . ALA A 1 281 ? 46.342 32.997 34.871 1.00 7.64 ? 366 ALA X N 1 ATOM 2267 C CA . ALA A 1 281 ? 47.763 32.937 34.546 1.00 8.78 ? 366 ALA X CA 1 ATOM 2268 C C . ALA A 1 281 ? 48.528 32.517 35.796 1.00 9.45 ? 366 ALA X C 1 ATOM 2269 O O . ALA A 1 281 ? 47.977 32.456 36.885 1.00 8.58 ? 366 ALA X O 1 ATOM 2270 C CB . ALA A 1 281 ? 48.245 34.279 34.087 1.00 9.00 ? 366 ALA X CB 1 ATOM 2271 N N . ALA A 1 282 ? 49.807 32.221 35.639 1.00 10.24 ? 367 ALA X N 1 ATOM 2272 C CA . ALA A 1 282 ? 50.638 31.816 36.796 1.00 11.49 ? 367 ALA X CA 1 ATOM 2273 C C . ALA A 1 282 ? 52.095 32.047 36.459 1.00 13.40 ? 367 ALA X C 1 ATOM 2274 O O . ALA A 1 282 ? 52.493 31.927 35.314 1.00 12.27 ? 367 ALA X O 1 ATOM 2275 C CB . ALA A 1 282 ? 50.416 30.367 37.143 1.00 11.63 ? 367 ALA X CB 1 ATOM 2276 N N A ASP A 1 283 ? 52.884 32.418 37.469 0.70 15.04 ? 368 ASP X N 1 ATOM 2277 N N B ASP A 1 283 ? 52.910 32.350 37.456 0.30 14.68 ? 368 ASP X N 1 ATOM 2278 C CA A ASP A 1 283 ? 54.333 32.571 37.282 0.70 16.20 ? 368 ASP X CA 1 ATOM 2279 C CA B ASP A 1 283 ? 54.330 32.559 37.186 0.30 15.81 ? 368 ASP X CA 1 ATOM 2280 C C A ASP A 1 283 ? 54.982 31.240 36.952 0.70 17.56 ? 368 ASP X C 1 ATOM 2281 C C B ASP A 1 283 ? 55.086 31.250 37.049 0.30 17.25 ? 368 ASP X C 1 ATOM 2282 O O A ASP A 1 283 ? 55.850 31.170 36.068 0.70 18.74 ? 368 ASP X O 1 ATOM 2283 O O B ASP A 1 283 ? 56.126 31.201 36.389 0.30 17.79 ? 368 ASP X O 1 ATOM 2284 C CB A ASP A 1 283 ? 54.994 33.125 38.546 0.70 16.36 ? 368 ASP X CB 1 ATOM 2285 C CB B ASP A 1 283 ? 54.931 33.463 38.248 0.30 15.73 ? 368 ASP X CB 1 ATOM 2286 C CG A ASP A 1 283 ? 54.687 34.586 38.789 0.70 17.53 ? 368 ASP X CG 1 ATOM 2287 C CG B ASP A 1 283 ? 54.417 34.861 38.124 0.30 15.90 ? 368 ASP X CG 1 ATOM 2288 O OD1 A ASP A 1 283 ? 53.942 35.210 38.012 0.70 19.56 ? 368 ASP X OD1 1 ATOM 2289 O OD1 B ASP A 1 283 ? 54.750 35.502 37.109 0.30 16.42 ? 368 ASP X OD1 1 ATOM 2290 O OD2 A ASP A 1 283 ? 55.201 35.123 39.798 0.70 20.38 ? 368 ASP X OD2 1 ATOM 2291 O OD2 B ASP A 1 283 ? 53.638 35.301 38.991 0.30 15.59 ? 368 ASP X OD2 1 ATOM 2292 N N . ARG A 1 284 ? 54.557 30.199 37.665 1.00 18.57 ? 369 ARG X N 1 ATOM 2293 C CA . ARG A 1 284 ? 55.075 28.852 37.497 1.00 21.07 ? 369 ARG X CA 1 ATOM 2294 C C . ARG A 1 284 ? 53.913 27.843 37.491 1.00 20.88 ? 369 ARG X C 1 ATOM 2295 O O . ARG A 1 284 ? 52.766 28.195 37.766 1.00 19.25 ? 369 ARG X O 1 ATOM 2296 C CB . ARG A 1 284 ? 56.120 28.583 38.594 1.00 21.57 ? 369 ARG X CB 1 ATOM 2297 C CG . ARG A 1 284 ? 57.539 29.085 38.210 1.00 25.06 ? 369 ARG X CG 1 ATOM 2298 C CD . ARG A 1 284 ? 58.523 29.167 39.384 1.00 26.95 ? 369 ARG X CD 1 ATOM 2299 N NE . ARG A 1 284 ? 58.562 30.490 40.005 1.00 32.76 ? 369 ARG X NE 1 ATOM 2300 C CZ . ARG A 1 284 ? 57.883 30.836 41.095 1.00 33.68 ? 369 ARG X CZ 1 ATOM 2301 N NH1 . ARG A 1 284 ? 57.074 29.975 41.707 1.00 36.51 ? 369 ARG X NH1 1 ATOM 2302 N NH2 . ARG A 1 284 ? 58.003 32.069 41.567 1.00 35.16 ? 369 ARG X NH2 1 ATOM 2303 N N . LEU A 1 285 ? 54.179 26.597 37.123 1.00 21.18 ? 370 LEU X N 1 ATOM 2304 C CA . LEU A 1 285 ? 53.114 25.607 37.061 1.00 21.59 ? 370 LEU X CA 1 ATOM 2305 C C . LEU A 1 285 ? 52.584 25.302 38.451 1.00 22.56 ? 370 LEU X C 1 ATOM 2306 O O . LEU A 1 285 ? 53.371 25.027 39.360 1.00 23.38 ? 370 LEU X O 1 ATOM 2307 C CB . LEU A 1 285 ? 53.605 24.305 36.428 1.00 21.34 ? 370 LEU X CB 1 ATOM 2308 C CG . LEU A 1 285 ? 53.813 24.379 34.921 1.00 20.47 ? 370 LEU X CG 1 ATOM 2309 C CD1 . LEU A 1 285 ? 54.558 23.141 34.424 1.00 19.73 ? 370 LEU X CD1 1 ATOM 2310 C CD2 . LEU A 1 285 ? 52.496 24.518 34.205 1.00 19.64 ? 370 LEU X CD2 1 ATOM 2311 N N . PRO A 1 286 ? 51.251 25.339 38.628 1.00 22.78 ? 371 PRO X N 1 ATOM 2312 C CA . PRO A 1 286 ? 50.701 24.945 39.922 1.00 23.52 ? 371 PRO X CA 1 ATOM 2313 C C . PRO A 1 286 ? 50.773 23.439 40.168 1.00 24.30 ? 371 PRO X C 1 ATOM 2314 O O . PRO A 1 286 ? 51.154 22.662 39.277 1.00 24.60 ? 371 PRO X O 1 ATOM 2315 C CB . PRO A 1 286 ? 49.249 25.439 39.866 1.00 23.49 ? 371 PRO X CB 1 ATOM 2316 C CG . PRO A 1 286 ? 48.933 25.617 38.428 1.00 22.86 ? 371 PRO X CG 1 ATOM 2317 C CD . PRO A 1 286 ? 50.217 25.790 37.681 1.00 22.76 ? 371 PRO X CD 1 ATOM 2318 O OXT . PRO A 1 286 ? 50.470 22.970 41.287 1.00 25.52 ? 371 PRO X OXT 1 HETATM 2319 C C1 . NAG B 2 . ? 30.056 19.115 42.351 1.00 28.17 ? 1 NAG X C1 1 HETATM 2320 C C2 . NAG B 2 . ? 30.495 18.170 41.228 1.00 30.39 ? 1 NAG X C2 1 HETATM 2321 C C3 . NAG B 2 . ? 29.337 17.274 40.774 1.00 33.10 ? 1 NAG X C3 1 HETATM 2322 C C4 . NAG B 2 . ? 28.593 16.652 41.960 1.00 34.73 ? 1 NAG X C4 1 HETATM 2323 C C5 . NAG B 2 . ? 28.245 17.755 42.955 1.00 32.73 ? 1 NAG X C5 1 HETATM 2324 C C6 . NAG B 2 . ? 27.488 17.241 44.175 1.00 32.02 ? 1 NAG X C6 1 HETATM 2325 C C7 . NAG B 2 . ? 32.196 18.834 39.559 1.00 28.84 ? 1 NAG X C7 1 HETATM 2326 C C8 . NAG B 2 . ? 32.469 19.651 38.318 1.00 26.18 ? 1 NAG X C8 1 HETATM 2327 N N2 . NAG B 2 . ? 30.978 18.942 40.094 1.00 28.88 ? 1 NAG X N2 1 HETATM 2328 O O3 . NAG B 2 . ? 29.828 16.267 39.911 1.00 33.62 ? 1 NAG X O3 1 HETATM 2329 O O4 . NAG B 2 . ? 27.405 16.014 41.502 1.00 40.58 ? 1 NAG X O4 1 HETATM 2330 O O5 . NAG B 2 . ? 29.447 18.364 43.387 1.00 30.04 ? 1 NAG X O5 1 HETATM 2331 O O6 . NAG B 2 . ? 28.291 16.275 44.803 1.00 31.27 ? 1 NAG X O6 1 HETATM 2332 O O7 . NAG B 2 . ? 33.077 18.116 40.034 1.00 29.82 ? 1 NAG X O7 1 HETATM 2333 C C1 . NAG C 2 . ? 27.239 14.679 42.040 1.00 45.19 ? 2 NAG X C1 1 HETATM 2334 C C2 . NAG C 2 . ? 25.888 14.127 41.570 1.00 47.50 ? 2 NAG X C2 1 HETATM 2335 C C3 . NAG C 2 . ? 25.733 12.608 41.707 1.00 48.86 ? 2 NAG X C3 1 HETATM 2336 C C4 . NAG C 2 . ? 27.009 11.844 41.397 1.00 48.80 ? 2 NAG X C4 1 HETATM 2337 C C5 . NAG C 2 . ? 28.163 12.499 42.147 1.00 48.56 ? 2 NAG X C5 1 HETATM 2338 C C6 . NAG C 2 . ? 29.478 11.738 41.977 1.00 48.71 ? 2 NAG X C6 1 HETATM 2339 C C7 . NAG C 2 . ? 24.230 15.898 41.944 1.00 49.67 ? 2 NAG X C7 1 HETATM 2340 C C8 . NAG C 2 . ? 23.421 16.603 42.998 1.00 50.02 ? 2 NAG X C8 1 HETATM 2341 N N2 . NAG C 2 . ? 24.806 14.751 42.313 1.00 48.72 ? 2 NAG X N2 1 HETATM 2342 O O3 . NAG C 2 . ? 24.708 12.161 40.844 1.00 50.19 ? 2 NAG X O3 1 HETATM 2343 O O4 . NAG C 2 . ? 26.830 10.500 41.793 1.00 49.30 ? 2 NAG X O4 1 HETATM 2344 O O5 . NAG C 2 . ? 28.299 13.825 41.661 1.00 46.89 ? 2 NAG X O5 1 HETATM 2345 O O6 . NAG C 2 . ? 29.824 11.648 40.610 1.00 49.49 ? 2 NAG X O6 1 HETATM 2346 O O7 . NAG C 2 . ? 24.336 16.385 40.815 1.00 50.14 ? 2 NAG X O7 1 HETATM 2347 CA CA . CA D 3 . ? 37.205 35.153 25.337 1.00 5.99 ? 1001 CA X CA 1 HETATM 2348 CA CA . CA E 3 . ? 28.640 33.865 17.183 1.00 6.72 ? 1002 CA X CA 1 HETATM 2349 C C1 . ACM F 4 . ? 31.003 43.101 22.725 1.00 21.06 ? 2001 ACM X C1 1 HETATM 2350 O O . ACM F 4 . ? 30.973 42.294 23.619 1.00 18.34 ? 2001 ACM X O 1 HETATM 2351 N N . ACM F 4 . ? 29.907 43.751 22.378 1.00 22.14 ? 2001 ACM X N 1 HETATM 2352 C C2 . ACM F 4 . ? 32.274 43.390 22.004 1.00 21.09 ? 2001 ACM X C2 1 HETATM 2353 O O . HOH G 5 . ? 37.760 37.404 24.821 1.00 6.01 ? 2002 HOH X O 1 HETATM 2354 O O . HOH G 5 . ? 34.932 32.377 31.854 1.00 6.80 ? 2003 HOH X O 1 HETATM 2355 O O . HOH G 5 . ? 38.816 32.125 19.015 1.00 7.43 ? 2004 HOH X O 1 HETATM 2356 O O . HOH G 5 . ? 35.797 33.211 20.393 1.00 7.02 ? 2005 HOH X O 1 HETATM 2357 O O . HOH G 5 . ? 39.766 29.518 19.636 1.00 7.61 ? 2006 HOH X O 1 HETATM 2358 O O . HOH G 5 . ? 27.902 30.295 33.421 1.00 7.61 ? 2007 HOH X O 1 HETATM 2359 O O . HOH G 5 . ? 26.570 30.136 28.310 1.00 8.28 ? 2008 HOH X O 1 HETATM 2360 O O . HOH G 5 . ? 27.972 29.640 30.696 1.00 7.77 ? 2009 HOH X O 1 HETATM 2361 O O . HOH G 5 . ? 49.211 33.774 16.534 1.00 8.65 ? 2010 HOH X O 1 HETATM 2362 O O . HOH G 5 . ? 30.536 38.349 34.496 1.00 8.32 ? 2011 HOH X O 1 HETATM 2363 O O . HOH G 5 . ? 49.757 41.371 16.904 1.00 8.17 ? 2012 HOH X O 1 HETATM 2364 O O . HOH G 5 . ? 38.184 29.519 25.827 1.00 8.64 ? 2013 HOH X O 1 HETATM 2365 O O . HOH G 5 . ? 27.389 35.172 18.765 1.00 8.41 ? 2014 HOH X O 1 HETATM 2366 O O . HOH G 5 . ? 26.999 34.466 15.510 1.00 8.62 ? 2015 HOH X O 1 HETATM 2367 O O . HOH G 5 . ? 41.483 36.555 31.971 1.00 8.67 ? 2016 HOH X O 1 HETATM 2368 O O . HOH G 5 . ? 48.248 39.085 16.706 1.00 8.68 ? 2017 HOH X O 1 HETATM 2369 O O . HOH G 5 . ? 27.219 34.287 39.363 1.00 8.83 ? 2018 HOH X O 1 HETATM 2370 O O . HOH G 5 . ? 41.047 43.203 23.707 1.00 8.65 ? 2019 HOH X O 1 HETATM 2371 O O . HOH G 5 . ? 52.744 37.864 21.297 1.00 9.28 ? 2020 HOH X O 1 HETATM 2372 O O . HOH G 5 . ? 40.729 33.916 19.926 1.00 9.57 ? 2021 HOH X O 1 HETATM 2373 O O . HOH G 5 . ? 42.788 26.375 30.498 1.00 9.63 ? 2022 HOH X O 1 HETATM 2374 O O . HOH G 5 . ? 49.545 45.619 32.365 1.00 10.19 ? 2023 HOH X O 1 HETATM 2375 O O . HOH G 5 . ? 33.972 35.232 13.341 1.00 10.31 ? 2024 HOH X O 1 HETATM 2376 O O . HOH G 5 . ? 41.556 31.622 16.683 1.00 10.14 ? 2025 HOH X O 1 HETATM 2377 O O . HOH G 5 . ? 45.772 48.168 24.106 1.00 10.36 ? 2026 HOH X O 1 HETATM 2378 O O . HOH G 5 . ? 52.989 27.569 19.784 1.00 13.28 ? 2027 HOH X O 1 HETATM 2379 O O . HOH G 5 . ? 32.398 37.247 12.186 1.00 10.37 ? 2028 HOH X O 1 HETATM 2380 O O . HOH G 5 . ? 40.975 27.889 32.384 1.00 10.23 ? 2029 HOH X O 1 HETATM 2381 O O . HOH G 5 . ? 29.116 37.694 40.290 1.00 10.41 ? 2030 HOH X O 1 HETATM 2382 O O . HOH G 5 . ? 38.648 49.275 22.899 1.00 10.50 ? 2031 HOH X O 1 HETATM 2383 O O . HOH G 5 . ? 27.985 24.989 15.622 1.00 10.74 ? 2032 HOH X O 1 HETATM 2384 O O . HOH G 5 . ? 20.025 32.082 12.455 1.00 26.38 ? 2033 HOH X O 1 HETATM 2385 O O . HOH G 5 . ? 27.491 23.658 22.547 1.00 11.02 ? 2034 HOH X O 1 HETATM 2386 O O . HOH G 5 . ? 44.746 50.544 32.649 1.00 11.16 ? 2035 HOH X O 1 HETATM 2387 O O . HOH G 5 . ? 38.069 25.827 31.398 1.00 11.07 ? 2036 HOH X O 1 HETATM 2388 O O . HOH G 5 . ? 46.367 50.523 25.343 1.00 11.98 ? 2037 HOH X O 1 HETATM 2389 O O . HOH G 5 . ? 31.087 39.641 12.426 1.00 11.54 ? 2038 HOH X O 1 HETATM 2390 O O . HOH G 5 . ? 42.954 32.316 19.446 1.00 11.83 ? 2039 HOH X O 1 HETATM 2391 O O . HOH G 5 . ? 44.793 44.498 17.978 1.00 11.48 ? 2040 HOH X O 1 HETATM 2392 O O . HOH G 5 . ? 52.553 42.669 32.796 1.00 11.82 ? 2041 HOH X O 1 HETATM 2393 O O . HOH G 5 . ? 25.324 35.761 8.515 1.00 12.01 ? 2042 HOH X O 1 HETATM 2394 O O . HOH G 5 . ? 46.912 24.597 23.521 1.00 11.85 ? 2043 HOH X O 1 HETATM 2395 O O . HOH G 5 . ? 48.078 39.901 37.830 1.00 11.97 ? 2044 HOH X O 1 HETATM 2396 O O . HOH G 5 . ? 36.636 34.928 12.525 1.00 12.05 ? 2045 HOH X O 1 HETATM 2397 O O . HOH G 5 . ? 56.486 28.736 24.861 1.00 12.19 ? 2046 HOH X O 1 HETATM 2398 O O . HOH G 5 . ? 22.256 25.150 36.274 1.00 12.53 ? 2047 HOH X O 1 HETATM 2399 O O . HOH G 5 . ? 44.893 37.871 40.766 1.00 12.51 ? 2048 HOH X O 1 HETATM 2400 O O . HOH G 5 . ? 42.373 27.783 35.710 1.00 12.60 ? 2049 HOH X O 1 HETATM 2401 O O . HOH G 5 . ? 47.959 33.118 12.265 1.00 26.42 ? 2050 HOH X O 1 HETATM 2402 O O . HOH G 5 . ? 46.644 48.203 38.184 1.00 13.43 ? 2051 HOH X O 1 HETATM 2403 O O . HOH G 5 . ? 39.435 53.204 36.846 1.00 13.15 ? 2052 HOH X O 1 HETATM 2404 O O . HOH G 5 . ? 53.402 40.068 19.803 1.00 13.48 ? 2053 HOH X O 1 HETATM 2405 O O . HOH G 5 . ? 35.125 22.011 31.009 1.00 12.89 ? 2054 HOH X O 1 HETATM 2406 O O . HOH G 5 . ? 31.014 35.049 5.569 0.70 13.47 ? 2055 HOH X O 1 HETATM 2407 O O . HOH G 5 . ? 60.792 32.027 26.848 1.00 12.61 ? 2056 HOH X O 1 HETATM 2408 O O . HOH G 5 . ? 46.697 48.591 31.919 1.00 13.40 ? 2057 HOH X O 1 HETATM 2409 O O . HOH G 5 . ? 32.151 42.148 12.702 1.00 13.58 ? 2058 HOH X O 1 HETATM 2410 O O . HOH G 5 . ? 55.170 37.679 33.184 1.00 13.79 ? 2059 HOH X O 1 HETATM 2411 O O . HOH G 5 . ? 25.859 25.644 21.293 1.00 13.85 ? 2060 HOH X O 1 HETATM 2412 O O . HOH G 5 . ? 38.714 23.968 38.421 1.00 13.65 ? 2061 HOH X O 1 HETATM 2413 O O . HOH G 5 . ? 52.608 28.455 24.202 1.00 14.54 ? 2062 HOH X O 1 HETATM 2414 O O . HOH G 5 . ? 54.258 40.634 33.581 1.00 14.17 ? 2063 HOH X O 1 HETATM 2415 O O . HOH G 5 . ? 28.235 29.662 43.805 1.00 14.14 ? 2064 HOH X O 1 HETATM 2416 O O . HOH G 5 . ? 15.715 25.869 35.517 1.00 41.71 ? 2065 HOH X O 1 HETATM 2417 O O . HOH G 5 . ? 48.843 22.710 32.713 1.00 14.57 ? 2066 HOH X O 1 HETATM 2418 O O . HOH G 5 . ? 23.125 35.197 50.337 1.00 15.00 ? 2067 HOH X O 1 HETATM 2419 O O . HOH G 5 . ? 18.920 22.247 29.369 1.00 14.90 ? 2068 HOH X O 1 HETATM 2420 O O . HOH G 5 . ? 44.798 36.978 8.587 1.00 14.31 ? 2069 HOH X O 1 HETATM 2421 O O . HOH G 5 . ? 52.113 43.933 18.649 1.00 15.15 ? 2070 HOH X O 1 HETATM 2422 O O . HOH G 5 . ? 11.285 31.168 38.821 1.00 33.36 ? 2071 HOH X O 1 HETATM 2423 O O . HOH G 5 . ? 38.460 44.341 10.743 1.00 15.78 ? 2072 HOH X O 1 HETATM 2424 O O . HOH G 5 . ? 46.206 41.121 17.759 1.00 15.62 ? 2073 HOH X O 1 HETATM 2425 O O . HOH G 5 . ? 30.682 22.477 19.161 1.00 15.96 ? 2074 HOH X O 1 HETATM 2426 O O . HOH G 5 . ? 18.916 27.224 29.829 1.00 14.91 ? 2075 HOH X O 1 HETATM 2427 O O . HOH G 5 . ? 28.189 18.363 25.693 1.00 15.69 ? 2076 HOH X O 1 HETATM 2428 O O . HOH G 5 . ? 26.061 21.803 24.035 1.00 26.90 ? 2077 HOH X O 1 HETATM 2429 O O . HOH G 5 . ? 47.835 44.244 37.706 1.00 15.66 ? 2078 HOH X O 1 HETATM 2430 O O . HOH G 5 . ? 52.817 39.532 36.396 1.00 16.45 ? 2079 HOH X O 1 HETATM 2431 O O . HOH G 5 . ? 43.336 55.970 22.128 1.00 16.18 ? 2080 HOH X O 1 HETATM 2432 O O . HOH G 5 . ? 29.315 21.730 21.518 1.00 16.51 ? 2081 HOH X O 1 HETATM 2433 O O . HOH G 5 . ? 48.019 39.589 8.782 1.00 22.37 ? 2082 HOH X O 1 HETATM 2434 O O . HOH G 5 . ? 38.199 37.731 45.752 1.00 15.63 ? 2083 HOH X O 1 HETATM 2435 O O . HOH G 5 . ? 46.668 46.389 16.765 1.00 16.19 ? 2084 HOH X O 1 HETATM 2436 O O . HOH G 5 . ? 27.575 40.255 9.761 1.00 16.57 ? 2085 HOH X O 1 HETATM 2437 O O . HOH G 5 . ? 27.765 40.951 40.589 1.00 16.00 ? 2086 HOH X O 1 HETATM 2438 O O . HOH G 5 . ? 30.395 42.731 29.869 1.00 16.42 ? 2087 HOH X O 1 HETATM 2439 O O . HOH G 5 . ? 50.900 40.100 38.201 1.00 16.46 ? 2088 HOH X O 1 HETATM 2440 O O . HOH G 5 . ? 32.851 20.113 30.757 1.00 17.53 ? 2089 HOH X O 1 HETATM 2441 O O . HOH G 5 . ? 54.644 39.341 13.017 1.00 16.63 ? 2090 HOH X O 1 HETATM 2442 O O . HOH G 5 . ? 23.203 34.330 28.831 1.00 17.45 ? 2091 HOH X O 1 HETATM 2443 O O . HOH G 5 . ? 32.196 42.725 9.944 1.00 17.45 ? 2092 HOH X O 1 HETATM 2444 O O . HOH G 5 . ? 49.214 27.051 17.582 1.00 16.89 ? 2093 HOH X O 1 HETATM 2445 O O . HOH G 5 . ? 43.766 47.617 16.658 1.00 16.39 ? 2094 HOH X O 1 HETATM 2446 O O . HOH G 5 . ? 36.247 43.029 11.442 1.00 17.06 ? 2095 HOH X O 1 HETATM 2447 O O . HOH G 5 . ? 37.929 38.355 6.195 1.00 17.07 ? 2096 HOH X O 1 HETATM 2448 O O . HOH G 5 . ? 39.138 40.242 2.080 1.00 16.79 ? 2097 HOH X O 1 HETATM 2449 O O . HOH G 5 . ? 17.830 32.407 15.418 1.00 17.50 ? 2098 HOH X O 1 HETATM 2450 O O . HOH G 5 . ? 24.243 27.041 24.938 1.00 36.67 ? 2099 HOH X O 1 HETATM 2451 O O . HOH G 5 . ? 26.004 18.896 32.906 1.00 26.48 ? 2100 HOH X O 1 HETATM 2452 O O . HOH G 5 . ? 40.174 26.350 34.631 1.00 17.66 ? 2101 HOH X O 1 HETATM 2453 O O . HOH G 5 . ? 25.226 38.552 8.124 1.00 17.72 ? 2102 HOH X O 1 HETATM 2454 O O . HOH G 5 . ? 56.954 30.190 29.571 1.00 17.80 ? 2103 HOH X O 1 HETATM 2455 O O . HOH G 5 . ? 27.235 44.649 23.880 0.70 13.58 ? 2104 HOH X O 1 HETATM 2456 O O . HOH G 5 . ? 61.571 35.321 31.454 1.00 17.71 ? 2105 HOH X O 1 HETATM 2457 O O . HOH G 5 . ? 38.658 41.292 7.313 1.00 17.92 ? 2106 HOH X O 1 HETATM 2458 O O . HOH G 5 . ? 51.505 33.340 40.043 1.00 17.68 ? 2107 HOH X O 1 HETATM 2459 O O . HOH G 5 . ? 54.775 43.234 18.865 1.00 17.75 ? 2108 HOH X O 1 HETATM 2460 O O . HOH G 5 . ? 44.208 31.535 15.622 1.00 17.28 ? 2109 HOH X O 1 HETATM 2461 O O . HOH G 5 . ? 23.800 43.823 41.167 1.00 35.61 ? 2110 HOH X O 1 HETATM 2462 O O . HOH G 5 . ? 54.008 28.869 21.774 1.00 17.95 ? 2111 HOH X O 1 HETATM 2463 O O . HOH G 5 . ? 28.330 21.153 25.309 1.00 22.43 ? 2112 HOH X O 1 HETATM 2464 O O . HOH G 5 . ? 56.837 35.383 20.728 1.00 18.29 ? 2113 HOH X O 1 HETATM 2465 O O . HOH G 5 . ? 50.183 48.098 31.150 1.00 18.18 ? 2114 HOH X O 1 HETATM 2466 O O . HOH G 5 . ? 33.094 23.631 19.498 1.00 17.69 ? 2115 HOH X O 1 HETATM 2467 O O . HOH G 5 . ? 44.281 58.437 20.889 1.00 18.83 ? 2116 HOH X O 1 HETATM 2468 O O . HOH G 5 . ? 43.221 54.573 37.203 1.00 18.78 ? 2117 HOH X O 1 HETATM 2469 O O . HOH G 5 . ? 42.060 35.044 47.022 1.00 18.73 ? 2118 HOH X O 1 HETATM 2470 O O . HOH G 5 . ? 34.633 45.286 44.777 1.00 18.06 ? 2119 HOH X O 1 HETATM 2471 O O . HOH G 5 . ? 34.773 22.095 20.972 1.00 18.59 ? 2120 HOH X O 1 HETATM 2472 O O . HOH G 5 . ? 18.657 42.017 43.404 1.00 35.11 ? 2121 HOH X O 1 HETATM 2473 O O . HOH G 5 . ? 20.639 34.234 8.195 1.00 18.79 ? 2122 HOH X O 1 HETATM 2474 O O . HOH G 5 . ? 49.899 25.126 43.415 1.00 33.19 ? 2123 HOH X O 1 HETATM 2475 O O . HOH G 5 . ? 27.358 40.668 46.555 1.00 19.36 ? 2124 HOH X O 1 HETATM 2476 O O . HOH G 5 . ? 30.813 48.882 35.573 1.00 18.37 ? 2125 HOH X O 1 HETATM 2477 O O . HOH G 5 . ? 36.606 20.256 32.624 1.00 19.35 ? 2126 HOH X O 1 HETATM 2478 O O . HOH G 5 . ? 18.175 37.149 46.177 1.00 38.05 ? 2127 HOH X O 1 HETATM 2479 O O . HOH G 5 . ? 20.625 52.538 32.827 1.00 19.57 ? 2128 HOH X O 1 HETATM 2480 O O . HOH G 5 . ? 59.073 35.588 22.285 1.00 19.23 ? 2129 HOH X O 1 HETATM 2481 O O . HOH G 5 . ? 46.578 57.140 26.057 1.00 19.48 ? 2130 HOH X O 1 HETATM 2482 O O . HOH G 5 . ? 45.684 27.618 14.686 1.00 19.15 ? 2131 HOH X O 1 HETATM 2483 O O . HOH G 5 . ? 23.676 36.517 20.662 1.00 19.11 ? 2132 HOH X O 1 HETATM 2484 O O . HOH G 5 . ? 31.101 32.051 6.577 1.00 20.36 ? 2133 HOH X O 1 HETATM 2485 O O . HOH G 5 . ? 33.098 30.338 7.201 1.00 24.36 ? 2134 HOH X O 1 HETATM 2486 O O . HOH G 5 . ? 57.793 52.376 23.548 1.00 20.01 ? 2135 HOH X O 1 HETATM 2487 O O . HOH G 5 . ? 50.103 22.038 36.857 1.00 19.84 ? 2136 HOH X O 1 HETATM 2488 O O . HOH G 5 . ? 46.011 23.946 35.903 1.00 21.36 ? 2137 HOH X O 1 HETATM 2489 O O . HOH G 5 . ? 25.176 41.776 40.103 1.00 19.61 ? 2138 HOH X O 1 HETATM 2490 O O . HOH G 5 . ? 39.298 45.803 42.948 1.00 19.96 ? 2139 HOH X O 1 HETATM 2491 O O . HOH G 5 . ? 24.282 28.894 19.889 1.00 19.23 ? 2140 HOH X O 1 HETATM 2492 O O . HOH G 5 . ? 21.495 36.086 40.954 1.00 19.70 ? 2141 HOH X O 1 HETATM 2493 O O . HOH G 5 . ? 53.661 21.038 38.946 1.00 19.71 ? 2142 HOH X O 1 HETATM 2494 O O . HOH G 5 . ? 33.396 50.340 17.729 1.00 20.72 ? 2143 HOH X O 1 HETATM 2495 O O . HOH G 5 . ? 39.576 36.024 3.845 1.00 20.89 ? 2144 HOH X O 1 HETATM 2496 O O . HOH G 5 . ? 38.258 44.117 45.044 1.00 21.16 ? 2145 HOH X O 1 HETATM 2497 O O . HOH G 5 . ? 48.638 23.604 35.305 1.00 20.67 ? 2146 HOH X O 1 HETATM 2498 O O . HOH G 5 . ? 31.031 20.537 23.301 1.00 19.78 ? 2147 HOH X O 1 HETATM 2499 O O . HOH G 5 . ? 21.324 27.875 26.065 1.00 20.53 ? 2148 HOH X O 1 HETATM 2500 O O . HOH G 5 . ? 39.188 23.944 18.173 1.00 20.94 ? 2149 HOH X O 1 HETATM 2501 O O . HOH G 5 . ? 37.994 56.434 17.769 1.00 37.38 ? 2150 HOH X O 1 HETATM 2502 O O . HOH G 5 . ? 18.402 34.733 14.214 1.00 20.57 ? 2151 HOH X O 1 HETATM 2503 O O . HOH G 5 . ? 43.406 55.705 14.191 1.00 20.44 ? 2152 HOH X O 1 HETATM 2504 O O . HOH G 5 . ? 63.141 32.249 28.143 1.00 21.33 ? 2153 HOH X O 1 HETATM 2505 O O . HOH G 5 . ? 25.564 42.836 37.439 1.00 21.08 ? 2154 HOH X O 1 HETATM 2506 O O . HOH G 5 . ? 22.468 43.633 37.448 1.00 21.14 ? 2155 HOH X O 1 HETATM 2507 O O . HOH G 5 . ? 25.505 38.508 26.875 1.00 22.09 ? 2156 HOH X O 1 HETATM 2508 O O . HOH G 5 . ? 41.650 21.664 22.647 1.00 21.05 ? 2157 HOH X O 1 HETATM 2509 O O . HOH G 5 . ? 34.780 28.201 52.782 1.00 26.89 ? 2158 HOH X O 1 HETATM 2510 O O . HOH G 5 . ? 43.260 20.273 33.233 1.00 21.88 ? 2159 HOH X O 1 HETATM 2511 O O . HOH G 5 . ? 44.218 49.418 14.357 1.00 21.86 ? 2160 HOH X O 1 HETATM 2512 O O . HOH G 5 . ? 40.131 43.252 8.938 1.00 21.66 ? 2161 HOH X O 1 HETATM 2513 O O . HOH G 5 . ? 34.689 43.300 9.164 1.00 21.55 ? 2162 HOH X O 1 HETATM 2514 O O . HOH G 5 . ? 25.537 32.238 26.610 1.00 21.84 ? 2163 HOH X O 1 HETATM 2515 O O . HOH G 5 . ? 26.911 21.971 33.888 1.00 22.16 ? 2164 HOH X O 1 HETATM 2516 O O . HOH G 5 . ? 28.037 44.380 34.073 1.00 22.34 ? 2165 HOH X O 1 HETATM 2517 O O . HOH G 5 . ? 49.494 44.950 10.598 1.00 22.94 ? 2166 HOH X O 1 HETATM 2518 O O . HOH G 5 . ? 25.056 17.835 29.376 1.00 22.43 ? 2167 HOH X O 1 HETATM 2519 O O . HOH G 5 . ? 40.056 22.130 20.598 1.00 23.11 ? 2168 HOH X O 1 HETATM 2520 O O . HOH G 5 . ? 21.514 29.179 19.717 1.00 21.36 ? 2169 HOH X O 1 HETATM 2521 O O . HOH G 5 . ? 29.485 44.151 26.331 1.00 22.42 ? 2170 HOH X O 1 HETATM 2522 O O . HOH G 5 . ? 49.541 52.220 33.501 1.00 22.94 ? 2171 HOH X O 1 HETATM 2523 O O . HOH G 5 . ? 35.941 20.202 43.849 1.00 22.34 ? 2172 HOH X O 1 HETATM 2524 O O . HOH G 5 . ? 29.704 41.806 47.148 1.00 22.24 ? 2173 HOH X O 1 HETATM 2525 O O . HOH G 5 . ? 40.502 24.331 14.907 1.00 28.05 ? 2174 HOH X O 1 HETATM 2526 O O . HOH G 5 . ? 34.829 24.918 17.041 1.00 22.26 ? 2175 HOH X O 1 HETATM 2527 O O . HOH G 5 . ? 35.192 37.762 46.650 1.00 22.95 ? 2176 HOH X O 1 HETATM 2528 O O . HOH G 5 . ? 29.673 29.715 51.396 1.00 23.19 ? 2177 HOH X O 1 HETATM 2529 O O . HOH G 5 . ? 23.039 36.799 27.434 1.00 23.28 ? 2178 HOH X O 1 HETATM 2530 O O . HOH G 5 . ? 15.446 31.468 30.636 1.00 24.58 ? 2179 HOH X O 1 HETATM 2531 O O . HOH G 5 . ? 14.039 36.973 37.029 1.00 23.38 ? 2180 HOH X O 1 HETATM 2532 O O . HOH G 5 . ? 40.529 47.857 11.202 1.00 23.66 ? 2181 HOH X O 1 HETATM 2533 O O . HOH G 5 . ? 34.545 20.732 24.969 1.00 22.94 ? 2182 HOH X O 1 HETATM 2534 O O . HOH G 5 . ? 21.339 30.671 26.157 1.00 23.45 ? 2183 HOH X O 1 HETATM 2535 O O . HOH G 5 . ? 14.095 40.140 36.803 1.00 22.48 ? 2184 HOH X O 1 HETATM 2536 O O . HOH G 5 . ? 18.514 31.079 19.746 1.00 23.69 ? 2185 HOH X O 1 HETATM 2537 O O . HOH G 5 . ? 25.221 34.498 27.595 1.00 21.89 ? 2186 HOH X O 1 HETATM 2538 O O . HOH G 5 . ? 32.283 37.343 9.413 1.00 22.26 ? 2187 HOH X O 1 HETATM 2539 O O . HOH G 5 . ? 53.742 55.167 19.845 1.00 23.97 ? 2188 HOH X O 1 HETATM 2540 O O . HOH G 5 . ? 35.788 41.486 7.364 1.00 24.48 ? 2189 HOH X O 1 HETATM 2541 O O . HOH G 5 . ? 29.417 37.425 8.376 1.00 23.84 ? 2190 HOH X O 1 HETATM 2542 O O . HOH G 5 . ? 24.204 23.784 37.812 1.00 23.18 ? 2191 HOH X O 1 HETATM 2543 O O . HOH G 5 . ? 21.396 30.696 13.795 1.00 24.09 ? 2192 HOH X O 1 HETATM 2544 O O . HOH G 5 . ? 29.825 25.371 13.452 1.00 23.46 ? 2193 HOH X O 1 HETATM 2545 O O . HOH G 5 . ? 62.546 35.144 24.542 1.00 23.58 ? 2194 HOH X O 1 HETATM 2546 O O . HOH G 5 . ? 36.786 55.103 27.269 1.00 23.89 ? 2195 HOH X O 1 HETATM 2547 O O . HOH G 5 . ? 31.951 27.021 13.930 1.00 23.58 ? 2196 HOH X O 1 HETATM 2548 O O . HOH G 5 . ? 54.502 38.022 37.825 1.00 25.67 ? 2197 HOH X O 1 HETATM 2549 O O . HOH G 5 . ? 48.591 29.990 14.810 1.00 23.74 ? 2198 HOH X O 1 HETATM 2550 O O . HOH G 5 . ? 56.812 34.226 35.519 1.00 24.07 ? 2199 HOH X O 1 HETATM 2551 O O . HOH G 5 . ? 45.310 43.724 40.731 1.00 25.19 ? 2200 HOH X O 1 HETATM 2552 O O . HOH G 5 . ? 17.530 30.679 28.635 1.00 24.45 ? 2201 HOH X O 1 HETATM 2553 O O . HOH G 5 . ? 30.617 45.966 46.119 1.00 26.32 ? 2202 HOH X O 1 HETATM 2554 O O . HOH G 5 . ? 50.686 27.657 42.514 1.00 25.42 ? 2203 HOH X O 1 HETATM 2555 O O . HOH G 5 . ? 45.299 28.784 12.231 1.00 26.53 ? 2204 HOH X O 1 HETATM 2556 O O . HOH G 5 . ? 32.550 43.888 46.124 1.00 24.34 ? 2205 HOH X O 1 HETATM 2557 O O . HOH G 5 . ? 56.122 37.202 35.614 1.00 24.37 ? 2206 HOH X O 1 HETATM 2558 O O . HOH G 5 . ? 38.617 24.342 49.626 1.00 24.94 ? 2207 HOH X O 1 HETATM 2559 O O . HOH G 5 . ? 46.548 23.848 20.901 1.00 25.32 ? 2208 HOH X O 1 HETATM 2560 O O . HOH G 5 . ? 48.119 32.410 43.516 1.00 24.74 ? 2209 HOH X O 1 HETATM 2561 O O . HOH G 5 . ? 47.473 39.846 40.473 1.00 26.36 ? 2210 HOH X O 1 HETATM 2562 O O . HOH G 5 . ? 13.454 29.780 29.613 1.00 27.27 ? 2211 HOH X O 1 HETATM 2563 O O . HOH G 5 . ? 39.088 19.042 31.913 1.00 25.27 ? 2212 HOH X O 1 HETATM 2564 O O . HOH G 5 . ? 57.100 35.622 17.475 1.00 24.26 ? 2213 HOH X O 1 HETATM 2565 O O . HOH G 5 . ? 30.828 50.432 21.067 1.00 26.63 ? 2214 HOH X O 1 HETATM 2566 O O . HOH G 5 . ? 25.345 29.333 22.334 1.00 25.87 ? 2215 HOH X O 1 HETATM 2567 O O . HOH G 5 . ? 22.293 30.856 22.464 1.00 43.36 ? 2216 HOH X O 1 HETATM 2568 O O . HOH G 5 . ? 61.389 39.130 28.792 1.00 26.80 ? 2217 HOH X O 1 HETATM 2569 O O . HOH G 5 . ? 59.873 33.906 33.930 1.00 25.58 ? 2218 HOH X O 1 HETATM 2570 O O . HOH G 5 . ? 24.260 30.673 25.235 1.00 24.96 ? 2219 HOH X O 1 HETATM 2571 O O . HOH G 5 . ? 38.359 44.534 24.016 1.00 22.54 ? 2220 HOH X O 1 HETATM 2572 O O . HOH G 5 . ? 46.430 37.183 42.856 1.00 25.28 ? 2221 HOH X O 1 HETATM 2573 O O . HOH G 5 . ? 19.734 39.791 47.931 1.00 51.00 ? 2222 HOH X O 1 HETATM 2574 O O . HOH G 5 . ? 26.407 44.781 31.410 1.00 26.37 ? 2223 HOH X O 1 HETATM 2575 O O . HOH G 5 . ? 28.009 46.569 35.587 1.00 25.85 ? 2224 HOH X O 1 HETATM 2576 O O . HOH G 5 . ? 35.246 51.150 27.307 1.00 26.19 ? 2225 HOH X O 1 HETATM 2577 O O . HOH G 5 . ? 25.160 47.032 31.773 1.00 26.73 ? 2226 HOH X O 1 HETATM 2578 O O . HOH G 5 . ? 18.948 36.871 17.143 1.00 27.13 ? 2227 HOH X O 1 HETATM 2579 O O . HOH G 5 . ? 51.856 38.809 40.376 1.00 26.69 ? 2228 HOH X O 1 HETATM 2580 O O . HOH G 5 . ? 50.782 50.612 16.106 1.00 25.94 ? 2229 HOH X O 1 HETATM 2581 O O . HOH G 5 . ? 33.786 18.592 42.752 1.00 26.82 ? 2230 HOH X O 1 HETATM 2582 O O . HOH G 5 . ? 43.055 49.050 11.691 1.00 27.11 ? 2231 HOH X O 1 HETATM 2583 O O . HOH G 5 . ? 30.548 44.759 8.834 1.00 28.28 ? 2232 HOH X O 1 HETATM 2584 O O . HOH G 5 . ? 48.304 49.664 30.195 1.00 26.63 ? 2233 HOH X O 1 HETATM 2585 O O . HOH G 5 . ? 42.194 52.420 43.975 1.00 27.30 ? 2234 HOH X O 1 HETATM 2586 O O . HOH G 5 . ? 42.434 25.280 37.493 1.00 27.35 ? 2235 HOH X O 1 HETATM 2587 O O . HOH G 5 . ? 31.367 46.404 27.705 1.00 29.13 ? 2236 HOH X O 1 HETATM 2588 O O . HOH G 5 . ? 49.449 52.459 30.926 1.00 27.97 ? 2237 HOH X O 1 HETATM 2589 O O . HOH G 5 . ? 60.150 47.278 27.000 1.00 26.89 ? 2238 HOH X O 1 HETATM 2590 O O . HOH G 5 . ? 18.821 36.154 9.193 1.00 27.54 ? 2239 HOH X O 1 HETATM 2591 O O . HOH G 5 . ? 33.286 47.529 43.123 1.00 28.43 ? 2240 HOH X O 1 HETATM 2592 O O . HOH G 5 . ? 22.372 37.829 50.000 1.00 28.85 ? 2241 HOH X O 1 HETATM 2593 O O . HOH G 5 . ? 15.080 34.068 29.992 1.00 27.60 ? 2242 HOH X O 1 HETATM 2594 O O . HOH G 5 . ? 45.403 24.134 39.599 1.00 27.16 ? 2243 HOH X O 1 HETATM 2595 O O . HOH G 5 . ? 46.454 55.696 39.823 1.00 28.33 ? 2244 HOH X O 1 HETATM 2596 O O . HOH G 5 . ? 42.548 22.129 18.735 1.00 28.01 ? 2245 HOH X O 1 HETATM 2597 O O . HOH G 5 . ? 58.942 29.436 31.975 1.00 28.90 ? 2246 HOH X O 1 HETATM 2598 O O . HOH G 5 . ? 24.045 50.276 34.624 1.00 32.59 ? 2247 HOH X O 1 HETATM 2599 O O . HOH G 5 . ? 62.841 39.421 26.317 1.00 28.75 ? 2248 HOH X O 1 HETATM 2600 O O . HOH G 5 . ? 18.038 47.556 22.529 1.00 27.94 ? 2249 HOH X O 1 HETATM 2601 O O . HOH G 5 . ? 18.551 32.050 40.315 1.00 28.65 ? 2250 HOH X O 1 HETATM 2602 O O . HOH G 5 . ? 41.361 26.961 10.772 1.00 28.38 ? 2251 HOH X O 1 HETATM 2603 O O . HOH G 5 . ? 51.251 49.978 33.322 1.00 27.93 ? 2252 HOH X O 1 HETATM 2604 O O . HOH G 5 . ? 18.941 38.947 19.254 1.00 29.41 ? 2253 HOH X O 1 HETATM 2605 O O . HOH G 5 . ? 16.985 37.823 43.533 1.00 28.99 ? 2254 HOH X O 1 HETATM 2606 O O . HOH G 5 . ? 23.049 29.833 41.455 1.00 29.08 ? 2255 HOH X O 1 HETATM 2607 O O . HOH G 5 . ? 37.004 56.520 20.185 1.00 47.80 ? 2256 HOH X O 1 HETATM 2608 O O . HOH G 5 . ? 24.255 53.548 31.019 1.00 29.16 ? 2257 HOH X O 1 HETATM 2609 O O . HOH G 5 . ? 17.899 48.340 18.085 1.00 29.11 ? 2258 HOH X O 1 HETATM 2610 O O . HOH G 5 . ? 41.396 19.754 26.416 1.00 29.66 ? 2259 HOH X O 1 HETATM 2611 O O . HOH G 5 . ? 53.623 42.247 36.731 1.00 30.04 ? 2260 HOH X O 1 HETATM 2612 O O . HOH G 5 . ? 34.266 53.481 24.699 1.00 30.22 ? 2261 HOH X O 1 HETATM 2613 O O . HOH G 5 . ? 38.518 52.150 44.139 1.00 28.57 ? 2262 HOH X O 1 HETATM 2614 O O . HOH G 5 . ? 63.552 44.242 27.046 1.00 28.47 ? 2263 HOH X O 1 HETATM 2615 O O . HOH G 5 . ? 44.416 23.046 16.005 1.00 28.39 ? 2264 HOH X O 1 HETATM 2616 O O . HOH G 5 . ? 58.172 25.857 34.876 1.00 28.61 ? 2265 HOH X O 1 HETATM 2617 O O . HOH G 5 . ? 25.924 21.812 36.843 1.00 28.35 ? 2266 HOH X O 1 HETATM 2618 O O . HOH G 5 . ? 40.457 22.147 39.506 1.00 30.93 ? 2267 HOH X O 1 HETATM 2619 O O . HOH G 5 . ? 30.108 39.592 9.873 1.00 29.04 ? 2268 HOH X O 1 HETATM 2620 O O . HOH G 5 . ? 49.734 57.318 19.056 1.00 30.78 ? 2269 HOH X O 1 HETATM 2621 O O . HOH G 5 . ? 32.052 51.372 34.751 1.00 29.94 ? 2270 HOH X O 1 HETATM 2622 O O . HOH G 5 . ? 27.073 53.040 28.181 1.00 29.90 ? 2271 HOH X O 1 HETATM 2623 O O . HOH G 5 . ? 55.973 40.758 19.288 1.00 30.42 ? 2272 HOH X O 1 HETATM 2624 O O . HOH G 5 . ? 36.325 19.049 22.796 1.00 32.50 ? 2273 HOH X O 1 HETATM 2625 O O . HOH G 5 . ? 57.772 30.846 34.347 1.00 31.64 ? 2274 HOH X O 1 HETATM 2626 O O . HOH G 5 . ? 35.666 17.726 32.567 1.00 31.21 ? 2275 HOH X O 1 HETATM 2627 O O . HOH G 5 . ? 31.667 40.586 51.600 1.00 29.86 ? 2276 HOH X O 1 HETATM 2628 O O . HOH G 5 . ? 15.055 32.265 33.335 1.00 29.48 ? 2277 HOH X O 1 HETATM 2629 O O . HOH G 5 . ? 51.359 54.515 31.577 1.00 30.83 ? 2278 HOH X O 1 HETATM 2630 O O . HOH G 5 . ? 39.679 19.916 24.166 1.00 29.70 ? 2279 HOH X O 1 HETATM 2631 O O . HOH G 5 . ? 43.817 40.652 0.911 1.00 30.96 ? 2280 HOH X O 1 HETATM 2632 O O . HOH G 5 . ? 45.192 38.378 44.797 1.00 32.50 ? 2281 HOH X O 1 HETATM 2633 O O . HOH G 5 . ? 57.409 37.507 19.189 1.00 32.15 ? 2282 HOH X O 1 HETATM 2634 O O . HOH G 5 . ? 20.677 40.565 9.998 1.00 31.28 ? 2283 HOH X O 1 HETATM 2635 O O . HOH G 5 . ? 62.662 40.309 35.285 1.00 29.93 ? 2284 HOH X O 1 HETATM 2636 O O . HOH G 5 . ? 61.843 47.493 21.897 1.00 31.17 ? 2285 HOH X O 1 HETATM 2637 O O . HOH G 5 . ? 19.903 24.079 37.036 1.00 31.00 ? 2286 HOH X O 1 HETATM 2638 O O . HOH G 5 . ? 48.696 35.346 10.181 1.00 28.76 ? 2287 HOH X O 1 HETATM 2639 O O . HOH G 5 . ? 25.636 41.480 48.506 1.00 29.64 ? 2288 HOH X O 1 HETATM 2640 O O . HOH G 5 . ? 37.286 54.355 35.725 1.00 30.71 ? 2289 HOH X O 1 HETATM 2641 O O . HOH G 5 . ? 40.517 20.723 37.043 1.00 32.88 ? 2290 HOH X O 1 HETATM 2642 O O . HOH G 5 . ? 54.169 37.426 40.209 1.00 31.98 ? 2291 HOH X O 1 HETATM 2643 O O . HOH G 5 . ? 61.937 47.778 24.876 1.00 31.79 ? 2292 HOH X O 1 HETATM 2644 O O . HOH G 5 . ? 37.245 46.476 9.363 1.00 31.35 ? 2293 HOH X O 1 HETATM 2645 O O . HOH G 5 . ? 33.863 40.357 47.029 1.00 30.86 ? 2294 HOH X O 1 HETATM 2646 O O . HOH G 5 . ? 33.038 19.920 21.408 1.00 29.78 ? 2295 HOH X O 1 HETATM 2647 O O . HOH G 5 . ? 19.437 31.932 24.808 1.00 32.48 ? 2296 HOH X O 1 HETATM 2648 O O . HOH G 5 . ? 46.195 58.693 23.181 1.00 30.16 ? 2297 HOH X O 1 HETATM 2649 O O . HOH G 5 . ? 48.729 25.218 19.443 1.00 33.90 ? 2298 HOH X O 1 HETATM 2650 O O . HOH G 5 . ? 56.271 45.339 37.400 1.00 31.94 ? 2299 HOH X O 1 HETATM 2651 O O . HOH G 5 . ? 35.565 51.359 15.876 1.00 31.71 ? 2300 HOH X O 1 HETATM 2652 O O . HOH G 5 . ? 51.506 49.209 29.121 1.00 32.11 ? 2301 HOH X O 1 HETATM 2653 O O . HOH G 5 . ? 47.381 43.372 6.119 1.00 32.70 ? 2302 HOH X O 1 HETATM 2654 O O . HOH G 5 . ? 58.309 43.072 17.887 1.00 31.86 ? 2303 HOH X O 1 HETATM 2655 O O . HOH G 5 . ? 18.905 48.990 20.660 1.00 30.92 ? 2304 HOH X O 1 HETATM 2656 O O . HOH G 5 . ? 55.055 38.252 9.263 1.00 33.13 ? 2305 HOH X O 1 HETATM 2657 O O . HOH G 5 . ? 43.016 23.788 43.640 1.00 32.38 ? 2306 HOH X O 1 HETATM 2658 O O . HOH G 5 . ? 53.839 48.481 36.857 1.00 32.47 ? 2307 HOH X O 1 HETATM 2659 O O . HOH G 5 . ? 47.104 22.447 41.097 1.00 32.26 ? 2308 HOH X O 1 HETATM 2660 O O . HOH G 5 . ? 44.504 40.390 41.064 1.00 35.88 ? 2309 HOH X O 1 HETATM 2661 O O . HOH G 5 . ? 35.607 19.220 46.278 1.00 32.20 ? 2310 HOH X O 1 HETATM 2662 O O . HOH G 5 . ? 47.052 48.958 14.222 1.00 26.69 ? 2311 HOH X O 1 HETATM 2663 O O . HOH G 5 . ? 53.213 30.550 40.163 1.00 34.83 ? 2312 HOH X O 1 HETATM 2664 O O . HOH G 5 . ? 38.890 20.592 47.565 1.00 32.47 ? 2313 HOH X O 1 HETATM 2665 O O . HOH G 5 . ? 29.289 18.181 23.372 1.00 34.43 ? 2314 HOH X O 1 HETATM 2666 O O . HOH G 5 . ? 22.084 46.003 38.451 1.00 31.10 ? 2315 HOH X O 1 HETATM 2667 O O . HOH G 5 . ? 45.302 56.477 37.149 1.00 31.60 ? 2316 HOH X O 1 HETATM 2668 O O . HOH G 5 . ? 30.256 47.130 9.942 1.00 32.47 ? 2317 HOH X O 1 HETATM 2669 O O . HOH G 5 . ? 31.737 25.326 52.522 1.00 33.93 ? 2318 HOH X O 1 HETATM 2670 O O . HOH G 5 . ? 61.291 39.622 21.922 1.00 35.29 ? 2319 HOH X O 1 HETATM 2671 O O . HOH G 5 . ? 42.123 24.995 12.568 1.00 33.66 ? 2320 HOH X O 1 HETATM 2672 O O . HOH G 5 . ? 27.817 17.439 28.122 1.00 37.69 ? 2321 HOH X O 1 HETATM 2673 O O . HOH G 5 . ? 58.881 26.523 39.117 1.00 32.02 ? 2322 HOH X O 1 HETATM 2674 O O . HOH G 5 . ? 15.520 38.488 13.723 1.00 35.03 ? 2323 HOH X O 1 HETATM 2675 O O . HOH G 5 . ? 17.796 34.931 11.560 1.00 36.78 ? 2324 HOH X O 1 HETATM 2676 O O . HOH G 5 . ? 46.617 46.031 11.441 1.00 34.17 ? 2325 HOH X O 1 HETATM 2677 O O . HOH G 5 . ? 61.817 51.844 31.280 1.00 33.02 ? 2326 HOH X O 1 HETATM 2678 O O . HOH G 5 . ? 59.311 49.152 34.035 1.00 32.19 ? 2327 HOH X O 1 HETATM 2679 O O . HOH G 5 . ? 51.353 21.668 32.875 1.00 28.40 ? 2328 HOH X O 1 HETATM 2680 O O . HOH G 5 . ? 18.773 49.065 34.879 1.00 33.12 ? 2329 HOH X O 1 HETATM 2681 O O . HOH G 5 . ? 50.121 49.452 40.049 1.00 36.52 ? 2330 HOH X O 1 HETATM 2682 O O . HOH G 5 . ? 46.336 46.961 40.543 1.00 33.56 ? 2331 HOH X O 1 HETATM 2683 O O . HOH G 5 . ? 59.402 42.837 36.802 1.00 32.10 ? 2332 HOH X O 1 HETATM 2684 O O . HOH G 5 . ? 30.346 19.004 34.434 1.00 34.91 ? 2333 HOH X O 1 HETATM 2685 O O . HOH G 5 . ? 38.644 27.917 11.554 1.00 34.29 ? 2334 HOH X O 1 HETATM 2686 O O . HOH G 5 . ? 34.889 50.653 42.100 1.00 35.55 ? 2335 HOH X O 1 HETATM 2687 O O . HOH G 5 . ? 45.677 41.000 5.597 1.00 35.17 ? 2336 HOH X O 1 HETATM 2688 O O . HOH G 5 . ? 37.733 59.831 18.549 1.00 31.91 ? 2337 HOH X O 1 HETATM 2689 O O . HOH G 5 . ? 45.708 58.846 18.528 1.00 36.28 ? 2338 HOH X O 1 HETATM 2690 O O . HOH G 5 . ? 32.572 53.415 40.470 1.00 36.02 ? 2339 HOH X O 1 HETATM 2691 O O . HOH G 5 . ? 55.722 50.691 27.581 1.00 34.53 ? 2340 HOH X O 1 HETATM 2692 O O . HOH G 5 . ? 48.116 59.451 34.818 1.00 36.01 ? 2341 HOH X O 1 HETATM 2693 O O . HOH G 5 . ? 40.332 56.288 41.163 1.00 36.23 ? 2342 HOH X O 1 HETATM 2694 O O . HOH G 5 . ? 49.480 38.343 42.047 1.00 34.08 ? 2343 HOH X O 1 HETATM 2695 O O . HOH G 5 . ? 15.016 43.014 33.936 1.00 35.19 ? 2344 HOH X O 1 HETATM 2696 O O . HOH G 5 . ? 22.512 41.812 8.195 1.00 34.68 ? 2345 HOH X O 1 HETATM 2697 O O . HOH G 5 . ? 29.854 40.577 49.645 1.00 38.43 ? 2346 HOH X O 1 HETATM 2698 O O . HOH G 5 . ? 35.214 45.558 7.865 1.00 35.90 ? 2347 HOH X O 1 HETATM 2699 O O . HOH G 5 . ? 33.154 53.401 37.839 1.00 33.65 ? 2348 HOH X O 1 HETATM 2700 O O . HOH G 5 . ? 20.535 48.128 37.259 1.00 33.98 ? 2349 HOH X O 1 HETATM 2701 O O . HOH G 5 . ? 14.974 35.547 32.328 1.00 32.95 ? 2350 HOH X O 1 HETATM 2702 O O . HOH G 5 . ? 40.466 19.512 34.265 1.00 36.80 ? 2351 HOH X O 1 HETATM 2703 O O . HOH G 5 . ? 60.417 52.163 22.794 1.00 35.49 ? 2352 HOH X O 1 HETATM 2704 O O . HOH G 5 . ? 37.941 25.574 14.334 1.00 34.74 ? 2353 HOH X O 1 HETATM 2705 O O . HOH G 5 . ? 27.220 44.999 40.849 1.00 36.14 ? 2354 HOH X O 1 HETATM 2706 O O . HOH G 5 . ? 37.761 47.618 44.737 1.00 36.28 ? 2355 HOH X O 1 HETATM 2707 O O . HOH G 5 . ? 36.701 21.115 50.401 1.00 33.29 ? 2356 HOH X O 1 HETATM 2708 O O . HOH G 5 . ? 35.144 37.776 5.714 1.00 34.91 ? 2357 HOH X O 1 HETATM 2709 O O . HOH G 5 . ? 27.821 44.203 8.312 1.00 37.84 ? 2358 HOH X O 1 HETATM 2710 O O . HOH G 5 . ? 39.854 20.131 41.188 1.00 37.69 ? 2359 HOH X O 1 HETATM 2711 O O . HOH G 5 . ? 24.699 23.540 24.505 1.00 29.91 ? 2360 HOH X O 1 HETATM 2712 O O . HOH G 5 . ? 59.230 45.736 36.607 1.00 37.01 ? 2361 HOH X O 1 HETATM 2713 O O . HOH G 5 . ? 29.543 44.102 31.925 1.00 34.90 ? 2362 HOH X O 1 HETATM 2714 O O . HOH G 5 . ? 50.747 31.155 40.979 1.00 38.07 ? 2363 HOH X O 1 HETATM 2715 O O . HOH G 5 . ? 45.443 21.342 36.026 1.00 38.83 ? 2364 HOH X O 1 HETATM 2716 O O . HOH G 5 . ? 46.260 31.148 13.981 1.00 34.61 ? 2365 HOH X O 1 HETATM 2717 O O . HOH G 5 . ? 17.654 27.742 41.169 1.00 38.88 ? 2366 HOH X O 1 HETATM 2718 O O . HOH G 5 . ? 40.946 44.076 2.283 1.00 39.85 ? 2367 HOH X O 1 HETATM 2719 O O . HOH G 5 . ? 47.335 51.366 31.688 1.00 32.54 ? 2368 HOH X O 1 HETATM 2720 O O . HOH G 5 . ? 36.693 45.827 46.426 1.00 37.11 ? 2369 HOH X O 1 HETATM 2721 O O . HOH G 5 . ? 28.659 17.602 32.852 1.00 36.37 ? 2370 HOH X O 1 HETATM 2722 O O . HOH G 5 . ? 37.205 24.669 51.763 1.00 36.11 ? 2371 HOH X O 1 HETATM 2723 O O . HOH G 5 . ? 16.617 32.095 26.505 1.00 41.38 ? 2372 HOH X O 1 HETATM 2724 O O . HOH G 5 . ? 64.329 34.375 26.590 1.00 36.46 ? 2373 HOH X O 1 HETATM 2725 O O . HOH G 5 . ? 53.361 46.581 11.374 1.00 36.80 ? 2374 HOH X O 1 HETATM 2726 O O . HOH G 5 . ? 37.184 36.569 4.325 1.00 38.86 ? 2375 HOH X O 1 HETATM 2727 O O . HOH G 5 . ? 48.125 26.689 15.126 1.00 34.52 ? 2376 HOH X O 1 HETATM 2728 O O . HOH G 5 . ? 29.478 47.303 30.812 1.00 36.06 ? 2377 HOH X O 1 HETATM 2729 O O . HOH G 5 . ? 39.136 49.816 10.085 1.00 37.94 ? 2378 HOH X O 1 HETATM 2730 O O . HOH G 5 . ? 25.151 28.618 42.339 1.00 41.78 ? 2379 HOH X O 1 HETATM 2731 O O . HOH G 5 . ? 59.906 39.001 18.019 1.00 36.71 ? 2380 HOH X O 1 HETATM 2732 O O . HOH G 5 . ? 36.236 27.575 11.903 1.00 35.38 ? 2381 HOH X O 1 HETATM 2733 O O . HOH G 5 . ? 47.987 20.096 36.800 1.00 38.98 ? 2382 HOH X O 1 HETATM 2734 O O . HOH G 5 . ? 54.475 52.845 28.706 1.00 36.99 ? 2383 HOH X O 1 HETATM 2735 O O . HOH G 5 . ? 32.670 47.777 26.048 1.00 37.21 ? 2384 HOH X O 1 HETATM 2736 O O . HOH G 5 . ? 15.380 48.441 23.587 1.00 39.68 ? 2385 HOH X O 1 HETATM 2737 O O . HOH G 5 . ? 21.025 36.840 20.289 1.00 37.33 ? 2386 HOH X O 1 HETATM 2738 O O . HOH G 5 . ? 58.540 33.131 37.391 1.00 38.46 ? 2387 HOH X O 1 HETATM 2739 O O . HOH G 5 . ? 46.878 46.287 13.878 1.00 31.00 ? 2388 HOH X O 1 HETATM 2740 O O . HOH G 5 . ? 46.944 56.916 34.647 1.00 40.02 ? 2389 HOH X O 1 HETATM 2741 O O . HOH G 5 . ? 49.725 37.653 9.858 1.00 38.09 ? 2390 HOH X O 1 HETATM 2742 O O . HOH G 5 . ? 49.928 54.044 35.211 1.00 38.59 ? 2391 HOH X O 1 HETATM 2743 O O . HOH G 5 . ? 61.465 31.004 32.156 1.00 39.47 ? 2392 HOH X O 1 HETATM 2744 O O . HOH G 5 . ? 42.045 53.902 11.364 1.00 45.18 ? 2393 HOH X O 1 HETATM 2745 O O . HOH G 5 . ? 22.523 31.109 44.805 1.00 41.44 ? 2394 HOH X O 1 HETATM 2746 O O . HOH G 5 . ? 43.126 57.804 34.708 1.00 38.48 ? 2395 HOH X O 1 HETATM 2747 O O . HOH G 5 . ? 20.532 37.256 47.661 1.00 38.28 ? 2396 HOH X O 1 HETATM 2748 O O . HOH G 5 . ? 44.141 48.681 44.768 1.00 37.83 ? 2397 HOH X O 1 HETATM 2749 O O . HOH G 5 . ? 29.275 22.361 35.019 1.00 36.52 ? 2398 HOH X O 1 HETATM 2750 O O . HOH G 5 . ? 45.235 22.325 22.534 1.00 39.18 ? 2399 HOH X O 1 HETATM 2751 O O . HOH G 5 . ? 47.419 24.299 42.836 1.00 41.61 ? 2400 HOH X O 1 HETATM 2752 O O . HOH G 5 . ? 33.932 25.982 14.605 1.00 40.29 ? 2401 HOH X O 1 HETATM 2753 O O . HOH G 5 . ? 39.465 55.884 15.419 1.00 44.30 ? 2402 HOH X O 1 HETATM 2754 O O . HOH G 5 . ? 57.803 39.428 20.880 1.00 42.17 ? 2403 HOH X O 1 HETATM 2755 O O . HOH G 5 . ? 48.209 34.980 43.738 1.00 38.02 ? 2404 HOH X O 1 HETATM 2756 O O . HOH G 5 . ? 34.098 39.030 7.504 1.00 38.79 ? 2405 HOH X O 1 HETATM 2757 O O . HOH G 5 . ? 44.587 58.037 15.042 1.00 41.27 ? 2406 HOH X O 1 HETATM 2758 O O . HOH G 5 . ? 29.284 44.494 47.943 1.00 41.54 ? 2407 HOH X O 1 HETATM 2759 O O . HOH G 5 . ? 62.734 32.595 30.648 1.00 39.77 ? 2408 HOH X O 1 HETATM 2760 O O . HOH G 5 . ? 43.221 21.044 37.667 1.00 37.95 ? 2409 HOH X O 1 HETATM 2761 O O . HOH G 5 . ? 53.842 50.301 29.490 1.00 42.19 ? 2410 HOH X O 1 HETATM 2762 O O . HOH G 5 . ? 16.351 36.859 20.251 1.00 40.50 ? 2411 HOH X O 1 HETATM 2763 O O . HOH G 5 . ? 12.001 36.185 38.634 1.00 35.99 ? 2412 HOH X O 1 HETATM 2764 O O . HOH G 5 . ? 31.790 39.462 47.891 1.00 39.11 ? 2413 HOH X O 1 HETATM 2765 O O . HOH G 5 . ? 31.646 17.961 29.176 1.00 43.33 ? 2414 HOH X O 1 HETATM 2766 O O . HOH G 5 . ? 60.024 41.258 19.739 1.00 41.06 ? 2415 HOH X O 1 HETATM 2767 O O . HOH G 5 . ? 47.621 57.800 17.238 1.00 42.72 ? 2416 HOH X O 1 HETATM 2768 O O . HOH G 5 . ? 15.746 43.538 37.980 1.00 41.28 ? 2417 HOH X O 1 HETATM 2769 O O . HOH G 5 . ? 23.686 39.900 50.393 1.00 33.62 ? 2418 HOH X O 1 HETATM 2770 O O . HOH G 5 . ? 46.411 39.020 7.404 1.00 31.30 ? 2419 HOH X O 1 HETATM 2771 O O . HOH G 5 . ? 53.427 43.786 11.520 1.00 40.65 ? 2420 HOH X O 1 HETATM 2772 O O . HOH G 5 . ? 34.120 23.948 51.749 1.00 40.04 ? 2421 HOH X O 1 HETATM 2773 O O . HOH G 5 . ? 16.092 48.506 34.983 1.00 40.58 ? 2422 HOH X O 1 HETATM 2774 O O . HOH G 5 . ? 61.836 42.110 37.407 1.00 37.60 ? 2423 HOH X O 1 HETATM 2775 O O . HOH G 5 . ? 45.433 34.627 9.471 1.00 49.17 ? 2424 HOH X O 1 HETATM 2776 O O . HOH G 5 . ? 16.164 29.324 39.552 1.00 42.54 ? 2425 HOH X O 1 HETATM 2777 O O . HOH G 5 . ? 61.444 47.586 29.460 1.00 40.52 ? 2426 HOH X O 1 HETATM 2778 O O . HOH G 5 . ? 16.042 33.963 22.484 1.00 42.64 ? 2427 HOH X O 1 HETATM 2779 O O . HOH G 5 . ? 64.248 41.696 26.852 1.00 44.55 ? 2428 HOH X O 1 HETATM 2780 O O . HOH G 5 . ? 55.893 49.530 17.992 1.00 40.34 ? 2429 HOH X O 1 HETATM 2781 O O . HOH G 5 . ? 53.612 50.605 16.262 1.00 38.26 ? 2430 HOH X O 1 HETATM 2782 O O . HOH G 5 . ? 49.893 43.069 39.380 1.00 42.76 ? 2431 HOH X O 1 HETATM 2783 O O . HOH G 5 . ? 48.140 20.486 24.803 1.00 45.97 ? 2432 HOH X O 1 HETATM 2784 O O . HOH G 5 . ? 25.392 44.512 12.969 1.00 46.08 ? 2433 HOH X O 1 HETATM 2785 O O . HOH G 5 . ? 26.938 47.973 33.642 1.00 40.10 ? 2434 HOH X O 1 HETATM 2786 O O . HOH G 5 . ? 40.328 48.343 46.416 1.00 38.93 ? 2435 HOH X O 1 HETATM 2787 O O . HOH G 5 . ? 30.388 18.846 26.606 1.00 39.69 ? 2436 HOH X O 1 HETATM 2788 O O . HOH G 5 . ? 59.286 28.304 35.510 1.00 42.37 ? 2437 HOH X O 1 HETATM 2789 O O . HOH G 5 . ? 36.268 17.185 34.986 1.00 49.30 ? 2438 HOH X O 1 HETATM 2790 O O . HOH G 5 . ? 43.523 42.589 5.953 1.00 44.52 ? 2439 HOH X O 1 HETATM 2791 O O . HOH G 5 . ? 47.076 31.077 45.428 1.00 41.95 ? 2440 HOH X O 1 HETATM 2792 O O . HOH G 5 . ? 62.846 45.151 21.108 1.00 40.23 ? 2441 HOH X O 1 HETATM 2793 O O . HOH G 5 . ? 29.002 19.352 36.501 1.00 48.46 ? 2442 HOH X O 1 HETATM 2794 O O . HOH G 5 . ? 60.467 35.514 36.095 1.00 45.82 ? 2443 HOH X O 1 HETATM 2795 O O . HOH G 5 . ? 27.571 21.668 42.396 1.00 43.68 ? 2444 HOH X O 1 HETATM 2796 O O . HOH G 5 . ? 32.139 47.950 29.927 1.00 41.42 ? 2445 HOH X O 1 HETATM 2797 O O . HOH G 5 . ? 26.925 27.336 43.426 1.00 55.39 ? 2446 HOH X O 1 HETATM 2798 O O . HOH G 5 . ? 13.433 36.127 34.455 1.00 42.97 ? 2447 HOH X O 1 HETATM 2799 O O . HOH G 5 . ? 57.565 26.592 41.463 1.00 40.98 ? 2448 HOH X O 1 HETATM 2800 O O . HOH G 5 . ? 13.878 38.137 32.659 1.00 44.68 ? 2449 HOH X O 1 HETATM 2801 O O . HOH G 5 . ? 55.344 50.216 34.585 1.00 46.74 ? 2450 HOH X O 1 HETATM 2802 O O . HOH G 5 . ? 56.906 25.953 36.920 1.00 42.04 ? 2451 HOH X O 1 HETATM 2803 O O . HOH G 5 . ? 53.871 27.425 41.284 1.00 46.79 ? 2452 HOH X O 1 HETATM 2804 O O . HOH G 5 . ? 14.435 49.983 25.864 1.00 52.06 ? 2453 HOH X O 1 HETATM 2805 O O . HOH G 5 . ? 32.219 50.260 15.326 1.00 41.33 ? 2454 HOH X O 1 HETATM 2806 O O . HOH G 5 . ? 48.142 33.493 46.012 1.00 48.29 ? 2455 HOH X O 1 HETATM 2807 O O . HOH G 5 . ? 38.537 20.050 43.405 1.00 45.18 ? 2456 HOH X O 1 HETATM 2808 O O . HOH G 5 . ? 50.996 20.331 43.171 1.00 51.05 ? 2457 HOH X O 1 HETATM 2809 O O . HOH G 5 . ? 35.867 41.750 47.928 1.00 45.51 ? 2458 HOH X O 1 HETATM 2810 O O . HOH G 5 . ? 54.854 37.706 6.603 1.00 49.57 ? 2459 HOH X O 1 HETATM 2811 O O . HOH G 5 . ? 33.219 54.989 22.706 1.00 52.88 ? 2460 HOH X O 1 HETATM 2812 O O . HOH G 5 . ? 16.638 36.401 15.500 1.00 47.25 ? 2461 HOH X O 1 HETATM 2813 O O . HOH G 5 . ? 42.835 51.492 10.249 1.00 45.58 ? 2462 HOH X O 1 HETATM 2814 O O . HOH G 5 . ? 22.738 53.289 35.028 1.00 40.16 ? 2463 HOH X O 1 HETATM 2815 O O . HOH G 5 . ? 48.304 34.625 7.524 1.00 36.06 ? 2464 HOH X O 1 HETATM 2816 O O . HOH G 5 . ? 50.014 47.477 17.762 1.00 44.44 ? 2465 HOH X O 1 HETATM 2817 O O . HOH G 5 . ? 38.848 40.845 4.827 1.00 44.49 ? 2466 HOH X O 1 HETATM 2818 O O . HOH G 5 . ? 53.504 57.837 20.302 1.00 42.83 ? 2467 HOH X O 1 HETATM 2819 O O . HOH G 5 . ? 29.161 27.647 10.662 1.00 46.26 ? 2468 HOH X O 1 HETATM 2820 O O . HOH G 5 . ? 48.854 47.392 9.766 1.00 47.76 ? 2469 HOH X O 1 HETATM 2821 O O . HOH G 5 . ? 22.541 53.058 37.683 1.00 45.89 ? 2470 HOH X O 1 HETATM 2822 O O . HOH G 5 . ? 56.928 48.190 35.325 1.00 45.25 ? 2471 HOH X O 1 HETATM 2823 O O . HOH G 5 . ? 40.573 51.172 45.633 1.00 46.17 ? 2472 HOH X O 1 HETATM 2824 O O . HOH G 5 . ? 56.739 30.063 31.955 1.00 47.43 ? 2473 HOH X O 1 HETATM 2825 O O . HOH G 5 . ? 18.136 42.248 21.247 1.00 48.15 ? 2474 HOH X O 1 HETATM 2826 O O . HOH G 5 . ? 46.455 31.378 11.269 1.00 45.33 ? 2475 HOH X O 1 HETATM 2827 O O . HOH G 5 . ? 19.994 26.724 41.643 1.00 48.70 ? 2476 HOH X O 1 HETATM 2828 O O . HOH G 5 . ? 42.871 56.858 40.875 1.00 46.05 ? 2477 HOH X O 1 HETATM 2829 O O . HOH G 5 . ? 42.067 46.632 45.916 1.00 45.59 ? 2478 HOH X O 1 HETATM 2830 O O . HOH G 5 . ? 50.705 59.465 25.988 1.00 42.55 ? 2479 HOH X O 1 HETATM 2831 O O . HOH G 5 . ? 61.002 31.090 38.962 1.00 46.98 ? 2480 HOH X O 1 HETATM 2832 O O . HOH G 5 . ? 52.442 50.288 40.973 1.00 46.51 ? 2481 HOH X O 1 HETATM 2833 O O . HOH G 5 . ? 43.406 19.643 22.202 1.00 48.17 ? 2482 HOH X O 1 HETATM 2834 O O . HOH G 5 . ? 21.669 45.134 40.947 1.00 41.02 ? 2483 HOH X O 1 HETATM 2835 O O . HOH G 5 . ? 44.723 46.735 9.491 1.00 46.62 ? 2484 HOH X O 1 HETATM 2836 O O . HOH G 5 . ? 56.979 41.236 37.984 1.00 47.43 ? 2485 HOH X O 1 HETATM 2837 O O . HOH G 5 . ? 46.893 50.335 11.053 1.00 51.92 ? 2486 HOH X O 1 HETATM 2838 O O . HOH G 5 . ? 52.931 35.431 41.541 1.00 45.12 ? 2487 HOH X O 1 HETATM 2839 O O . HOH G 5 . ? 44.948 44.734 43.414 1.00 46.98 ? 2488 HOH X O 1 HETATM 2840 O O . HOH G 5 . ? 42.354 22.636 45.734 1.00 43.83 ? 2489 HOH X O 1 HETATM 2841 O O . HOH G 5 . ? 44.904 35.922 47.813 1.00 45.90 ? 2490 HOH X O 1 HETATM 2842 O O . HOH G 5 . ? 37.288 54.692 14.328 1.00 56.57 ? 2491 HOH X O 1 HETATM 2843 O O . HOH G 5 . ? 30.985 59.865 26.035 1.00 57.71 ? 2492 HOH X O 1 HETATM 2844 O O . HOH G 5 . ? 35.600 55.222 29.944 1.00 47.89 ? 2493 HOH X O 1 HETATM 2845 O O . HOH G 5 . ? 18.876 21.396 32.041 1.00 40.68 ? 2494 HOH X O 1 HETATM 2846 O O . HOH G 5 . ? 32.037 51.026 32.080 1.00 47.50 ? 2495 HOH X O 1 HETATM 2847 O O . HOH G 5 . ? 50.591 31.373 43.640 1.00 51.67 ? 2496 HOH X O 1 HETATM 2848 O O . HOH G 5 . ? 15.387 47.306 26.047 1.00 47.32 ? 2497 HOH X O 1 HETATM 2849 O O . HOH G 5 . ? 38.907 19.839 20.227 1.00 53.22 ? 2498 HOH X O 1 HETATM 2850 O O . HOH G 5 . ? 33.771 54.864 26.942 1.00 54.63 ? 2499 HOH X O 1 HETATM 2851 O O . HOH G 5 . ? 63.349 36.965 30.532 1.00 45.76 ? 2500 HOH X O 1 HETATM 2852 O O . HOH G 5 . ? 31.596 23.374 50.529 1.00 52.71 ? 2501 HOH X O 1 HETATM 2853 O O . HOH G 5 . ? 46.184 20.621 33.487 1.00 60.20 ? 2502 HOH X O 1 HETATM 2854 O O . HOH G 5 . ? 18.787 33.160 22.025 1.00 50.23 ? 2503 HOH X O 1 HETATM 2855 O O . HOH G 5 . ? 34.960 61.454 26.878 1.00 48.83 ? 2504 HOH X O 1 HETATM 2856 O O . HOH G 5 . ? 31.606 28.103 53.145 1.00 45.81 ? 2505 HOH X O 1 HETATM 2857 O O . HOH G 5 . ? 25.019 47.832 14.673 1.00 47.59 ? 2506 HOH X O 1 HETATM 2858 O O . HOH G 5 . ? 62.052 54.877 26.564 0.50 49.52 ? 2507 HOH X O 1 HETATM 2859 O O . HOH G 5 . ? 50.594 19.953 40.059 1.00 54.20 ? 2508 HOH X O 1 HETATM 2860 O O . HOH G 5 . ? 41.913 57.901 12.992 1.00 44.60 ? 2509 HOH X O 1 HETATM 2861 O O . HOH G 5 . ? 22.930 41.740 48.439 1.00 49.05 ? 2510 HOH X O 1 HETATM 2862 O O . HOH G 5 . ? 35.194 54.210 16.880 1.00 55.48 ? 2511 HOH X O 1 HETATM 2863 O O . HOH G 5 . ? 59.369 37.819 36.465 1.00 50.58 ? 2512 HOH X O 1 HETATM 2864 O O . HOH G 5 . ? 53.355 53.788 33.489 1.00 51.90 ? 2513 HOH X O 1 HETATM 2865 O O . HOH G 5 . ? 17.942 41.604 10.243 1.00 55.28 ? 2514 HOH X O 1 HETATM 2866 O O . HOH G 5 . ? 20.811 21.461 38.237 1.00 52.46 ? 2515 HOH X O 1 HETATM 2867 O O . HOH G 5 . ? 41.003 42.993 5.026 1.00 49.43 ? 2516 HOH X O 1 HETATM 2868 O O . HOH G 5 . ? 25.570 19.971 42.696 1.00 53.99 ? 2517 HOH X O 1 HETATM 2869 O O . HOH G 5 . ? 36.980 51.892 13.622 1.00 55.17 ? 2518 HOH X O 1 HETATM 2870 O O . HOH G 5 . ? 51.469 26.143 20.950 1.00 40.20 ? 2519 HOH X O 1 HETATM 2871 O O . HOH G 5 . ? 13.966 40.526 33.928 1.00 47.35 ? 2520 HOH X O 1 HETATM 2872 O O . HOH G 5 . ? 37.113 47.153 23.825 0.30 5.10 ? 2521 HOH X O 1 HETATM 2873 O O . HOH G 5 . ? 27.426 45.948 24.979 0.30 11.30 ? 2522 HOH X O 1 HETATM 2874 O O . HOH G 5 . ? 31.879 46.367 22.892 0.70 30.54 ? 2523 HOH X O 1 HETATM 2875 O O . HOH G 5 . ? 31.304 45.967 24.905 1.00 34.35 ? 2524 HOH X 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 LEU 1 86 86 LEU ALA X . n A 1 2 ALA 2 87 87 ALA ALA X . n A 1 3 HIS 3 88 88 HIS HIS X . n A 1 4 SER 4 89 89 SER SER X . n A 1 5 LYS 5 90 90 LYS LYS X . n A 1 6 MET 6 91 91 MET MET X . n A 1 7 VAL 7 92 92 VAL VAL X . n A 1 8 PRO 8 93 93 PRO PRO X . n A 1 9 ILE 9 94 94 ILE ILE X . n A 1 10 PRO 10 95 95 PRO PRO X . n A 1 11 ALA 11 96 96 ALA ALA X . n A 1 12 GLY 12 97 97 GLY GLY X . n A 1 13 VAL 13 98 98 VAL VAL X . n A 1 14 PHE 14 99 99 PHE PHE X . n A 1 15 THR 15 100 100 THR THR X . n A 1 16 MET 16 101 101 MET MET X . n A 1 17 GLY 17 102 102 GLY GLY X . n A 1 18 THR 18 103 103 THR THR X . n A 1 19 ASP 19 104 104 ASP ASP X . n A 1 20 ASP 20 105 105 ASP ASP X . n A 1 21 PRO 21 106 106 PRO PRO X . n A 1 22 GLN 22 107 107 GLN GLN X . n A 1 23 ILE 23 108 108 ILE ILE X . n A 1 24 LYS 24 109 109 LYS LYS X . n A 1 25 GLN 25 110 110 GLN GLN X . n A 1 26 ASP 26 111 111 ASP ASP X . n A 1 27 GLY 27 112 112 GLY GLY X . n A 1 28 GLU 28 113 113 GLU GLU X . n A 1 29 ALA 29 114 114 ALA ALA X . n A 1 30 PRO 30 115 115 PRO PRO X . n A 1 31 ALA 31 116 116 ALA ALA X . n A 1 32 ARG 32 117 117 ARG ARG X . n A 1 33 ARG 33 118 118 ARG ARG X . n A 1 34 VAL 34 119 119 VAL VAL X . n A 1 35 THR 35 120 120 THR THR X . n A 1 36 ILE 36 121 121 ILE ILE X . n A 1 37 ASP 37 122 122 ASP ASP X . n A 1 38 ALA 38 123 123 ALA ALA X . n A 1 39 PHE 39 124 124 PHE PHE X . n A 1 40 TYR 40 125 125 TYR TYR X . n A 1 41 MET 41 126 126 MET MET X . n A 1 42 ASP 42 127 127 ASP ASP X . n A 1 43 ALA 43 128 128 ALA ALA X . n A 1 44 TYR 44 129 129 TYR TYR X . n A 1 45 GLU 45 130 130 GLU GLU X . n A 1 46 VAL 46 131 131 VAL VAL X . n A 1 47 SER 47 132 132 SER SER X . n A 1 48 ASN 48 133 133 ASN ASN X . n A 1 49 THR 49 134 134 THR THR X . n A 1 50 GLU 50 135 135 GLU GLU X . n A 1 51 PHE 51 136 136 PHE PHE X . n A 1 52 GLU 52 137 137 GLU GLU X . n A 1 53 LYS 53 138 138 LYS LYS X . n A 1 54 PHE 54 139 139 PHE PHE X . n A 1 55 VAL 55 140 140 VAL VAL X . n A 1 56 ASN 56 141 141 ASN ASN X . n A 1 57 SER 57 142 142 SER SER X . n A 1 58 THR 58 143 143 THR THR X . n A 1 59 GLY 59 144 144 GLY GLY X . n A 1 60 TYR 60 145 145 TYR TYR X . n A 1 61 LEU 61 146 146 LEU LEU X . n A 1 62 THR 62 147 147 THR THR X . n A 1 63 GLU 63 148 148 GLU GLU X . n A 1 64 ALA 64 149 149 ALA ALA X . n A 1 65 GLU 65 150 150 GLU GLU X . n A 1 66 LYS 66 151 151 LYS LYS X . n A 1 67 PHE 67 152 152 PHE PHE X . n A 1 68 GLY 68 153 153 GLY GLY X . n A 1 69 ASP 69 154 154 ASP ASP X . n A 1 70 SER 70 155 155 SER SER X . n A 1 71 PHE 71 156 156 PHE PHE X . n A 1 72 VAL 72 157 157 VAL VAL X . n A 1 73 PHE 73 158 158 PHE PHE X . n A 1 74 GLU 74 159 159 GLU GLU X . n A 1 75 GLY 75 160 160 GLY GLY X . n A 1 76 MET 76 161 161 MET MET X . n A 1 77 LEU 77 162 162 LEU LEU X . n A 1 78 SER 78 163 ? ? ? X . n A 1 79 GLU 79 164 ? ? ? X . n A 1 80 GLN 80 165 ? ? ? X . n A 1 81 VAL 81 166 ? ? ? X . n A 1 82 LYS 82 167 ? ? ? X . n A 1 83 THR 83 168 ? ? ? X . n A 1 84 ASN 84 169 ? ? ? X . n A 1 85 ILE 85 170 ? ? ? X . n A 1 86 GLN 86 171 ? ? ? X . n A 1 87 GLN 87 172 ? ? ? X . n A 1 88 ALA 88 173 ? ? ? X . n A 1 89 VAL 89 174 ? ? ? X . n A 1 90 ALA 90 175 175 ALA ALA X . n A 1 91 ALA 91 176 176 ALA ALA X . n A 1 92 ALA 92 177 177 ALA ALA X . n A 1 93 PRO 93 178 178 PRO PRO X . n A 1 94 TRP 94 179 179 TRP TRP X . n A 1 95 TRP 95 180 180 TRP TRP X . n A 1 96 LEU 96 181 181 LEU LEU X . n A 1 97 PRO 97 182 182 PRO PRO X . n A 1 98 VAL 98 183 183 VAL VAL X . n A 1 99 LYS 99 184 184 LYS LYS X . n A 1 100 GLY 100 185 185 GLY GLY X . n A 1 101 ALA 101 186 186 ALA ALA X . n A 1 102 ASN 102 187 187 ASN ASN X . n A 1 103 TRP 103 188 188 TRP TRP X . n A 1 104 ARG 104 189 189 ARG ARG X . n A 1 105 HIS 105 190 190 HIS HIS X . n A 1 106 PRO 106 191 191 PRO PRO X . n A 1 107 GLU 107 192 192 GLU GLU X . n A 1 108 GLY 108 193 193 GLY GLY X . n A 1 109 PRO 109 194 194 PRO PRO X . n A 1 110 ASP 110 195 195 ASP ASP X . n A 1 111 SER 111 196 196 SER SER X . n A 1 112 THR 112 197 197 THR THR X . n A 1 113 ILE 113 198 198 ILE ILE X . n A 1 114 LEU 114 199 199 LEU LEU X . n A 1 115 HIS 115 200 200 HIS HIS X . n A 1 116 ARG 116 201 201 ARG ARG X . n A 1 117 PRO 117 202 202 PRO PRO X . n A 1 118 ASP 118 203 203 ASP ASP X . n A 1 119 HIS 119 204 204 HIS HIS X . n A 1 120 PRO 120 205 205 PRO PRO X . n A 1 121 VAL 121 206 206 VAL VAL X . n A 1 122 LEU 122 207 207 LEU LEU X . n A 1 123 HIS 123 208 208 HIS HIS X . n A 1 124 VAL 124 209 209 VAL VAL X . n A 1 125 SER 125 210 210 SER SER X . n A 1 126 TRP 126 211 211 TRP TRP X . n A 1 127 ASN 127 212 212 ASN ASN X . n A 1 128 ASP 128 213 213 ASP ASP X . n A 1 129 ALA 129 214 214 ALA ALA X . n A 1 130 VAL 130 215 215 VAL VAL X . n A 1 131 ALA 131 216 216 ALA ALA X . n A 1 132 TYR 132 217 217 TYR TYR X . n A 1 133 CYS 133 218 218 CYS CYS X . n A 1 134 THR 134 219 219 THR THR X . n A 1 135 TRP 135 220 220 TRP TRP X . n A 1 136 ALA 136 221 221 ALA ALA X . n A 1 137 GLY 137 222 222 GLY GLY X . n A 1 138 LYS 138 223 223 LYS LYS X . n A 1 139 ARG 139 224 224 ARG ARG X . n A 1 140 LEU 140 225 225 LEU LEU X . n A 1 141 PRO 141 226 226 PRO PRO X . n A 1 142 THR 142 227 227 THR THR X . n A 1 143 GLU 143 228 228 GLU GLU X . n A 1 144 ALA 144 229 229 ALA ALA X . n A 1 145 GLU 145 230 230 GLU GLU X . n A 1 146 TRP 146 231 231 TRP TRP X . n A 1 147 GLU 147 232 232 GLU GLU X . n A 1 148 TYR 148 233 233 TYR TYR X . n A 1 149 SER 149 234 234 SER SER X . n A 1 150 CYS 150 235 235 CYS CYS X . n A 1 151 ARG 151 236 236 ARG ARG X . n A 1 152 GLY 152 237 237 GLY GLY X . n A 1 153 GLY 153 238 238 GLY GLY X . n A 1 154 LEU 154 239 239 LEU LEU X . n A 1 155 HIS 155 240 240 HIS HIS X . n A 1 156 ASN 156 241 241 ASN ASN X . n A 1 157 ARG 157 242 242 ARG ARG X . n A 1 158 LEU 158 243 243 LEU LEU X . n A 1 159 PHE 159 244 244 PHE PHE X . n A 1 160 PRO 160 245 245 PRO PRO X . n A 1 161 TRP 161 246 246 TRP TRP X . n A 1 162 GLY 162 247 247 GLY GLY X . n A 1 163 ASN 163 248 248 ASN ASN X . n A 1 164 LYS 164 249 249 LYS LYS X . n A 1 165 LEU 165 250 250 LEU LEU X . n A 1 166 GLN 166 251 251 GLN GLN X . n A 1 167 PRO 167 252 252 PRO PRO X . n A 1 168 LYS 168 253 253 LYS LYS X . n A 1 169 GLY 169 254 254 GLY GLY X . n A 1 170 GLN 170 255 255 GLN GLN X . n A 1 171 HIS 171 256 256 HIS HIS X . n A 1 172 TYR 172 257 257 TYR TYR X . n A 1 173 ALA 173 258 258 ALA ALA X . n A 1 174 ASN 174 259 259 ASN ASN X . n A 1 175 ILE 175 260 260 ILE ILE X . n A 1 176 TRP 176 261 261 TRP TRP X . n A 1 177 GLN 177 262 262 GLN GLN X . n A 1 178 GLY 178 263 263 GLY GLY X . n A 1 179 GLU 179 264 264 GLU GLU X . n A 1 180 PHE 180 265 265 PHE PHE X . n A 1 181 PRO 181 266 266 PRO PRO X . n A 1 182 VAL 182 267 267 VAL VAL X . n A 1 183 THR 183 268 268 THR THR X . n A 1 184 ASN 184 269 269 ASN ASN X . n A 1 185 THR 185 270 270 THR THR X . n A 1 186 GLY 186 271 271 GLY GLY X . n A 1 187 GLU 187 272 272 GLU GLU X . n A 1 188 ASP 188 273 273 ASP ASP X . n A 1 189 GLY 189 274 274 GLY GLY X . n A 1 190 PHE 190 275 275 PHE PHE X . n A 1 191 GLN 191 276 276 GLN GLN X . n A 1 192 GLY 192 277 277 GLY GLY X . n A 1 193 THR 193 278 278 THR THR X . n A 1 194 ALA 194 279 279 ALA ALA X . n A 1 195 PRO 195 280 280 PRO PRO X . n A 1 196 VAL 196 281 281 VAL VAL X . n A 1 197 ASP 197 282 282 ASP ASP X . n A 1 198 ALA 198 283 283 ALA ALA X . n A 1 199 PHE 199 284 284 PHE PHE X . n A 1 200 PRO 200 285 285 PRO PRO X . n A 1 201 PRO 201 286 286 PRO PRO X . n A 1 202 ASN 202 287 287 ASN ASN X . n A 1 203 GLY 203 288 288 GLY GLY X . n A 1 204 TYR 204 289 289 TYR TYR X . n A 1 205 GLY 205 290 290 GLY GLY X . n A 1 206 LEU 206 291 291 LEU LEU X . n A 1 207 TYR 207 292 292 TYR TYR X . n A 1 208 ASN 208 293 293 ASN ASN X . n A 1 209 ILE 209 294 294 ILE ILE X . n A 1 210 VAL 210 295 295 VAL VAL X . n A 1 211 GLY 211 296 296 GLY GLY X . n A 1 212 ASN 212 297 297 ASN ASN X . n A 1 213 ALA 213 298 298 ALA ALA X . n A 1 214 TRP 214 299 299 TRP TRP X . n A 1 215 GLU 215 300 300 GLU GLU X . n A 1 216 TRP 216 301 301 TRP TRP X . n A 1 217 THR 217 302 302 THR THR X . n A 1 218 SER 218 303 303 SER SER X . n A 1 219 ASP 219 304 304 ASP ASP X . n A 1 220 TRP 220 305 305 TRP TRP X . n A 1 221 TRP 221 306 306 TRP TRP X . n A 1 222 THR 222 307 307 THR THR X . n A 1 223 VAL 223 308 308 VAL VAL X . n A 1 224 HIS 224 309 309 HIS HIS X . n A 1 225 HIS 225 310 310 HIS HIS X . n A 1 226 SER 226 311 311 SER SER X . n A 1 227 VAL 227 312 312 VAL VAL X . n A 1 228 GLU 228 313 313 GLU GLU X . n A 1 229 GLU 229 314 314 GLU GLU X . n A 1 230 THR 230 315 315 THR THR X . n A 1 231 LEU 231 316 316 LEU LEU X . n A 1 232 ASN 232 317 317 ASN ASN X . n A 1 233 PRO 233 318 318 PRO PRO X . n A 1 234 LYS 234 319 319 LYS LYS X . n A 1 235 GLY 235 320 320 GLY GLY X . n A 1 236 PRO 236 321 321 PRO PRO X . n A 1 237 PRO 237 322 322 PRO PRO X . n A 1 238 SER 238 323 323 SER SER X . n A 1 239 GLY 239 324 324 GLY GLY X . n A 1 240 LYS 240 325 325 LYS LYS X . n A 1 241 ASP 241 326 326 ASP ASP X . n A 1 242 ARG 242 327 327 ARG ARG X . n A 1 243 VAL 243 328 328 VAL VAL X . n A 1 244 LYS 244 329 329 LYS LYS X . n A 1 245 LYS 245 330 330 LYS LYS X . n A 1 246 GLY 246 331 331 GLY GLY X . n A 1 247 GLY 247 332 332 GLY GLY X . n A 1 248 SER 248 333 333 SER SER X . n A 1 249 TYR 249 334 334 TYR TYR X . n A 1 250 MET 250 335 335 MET MET X . n A 1 251 CYS 251 336 336 CYS CYS X . n A 1 252 HIS 252 337 337 HIS HIS X . n A 1 253 ARG 253 338 338 ARG ARG X . n A 1 254 SER 254 339 339 SER SER X . n A 1 255 TYR 255 340 340 TYR TYR X . n A 1 256 CYS 256 341 341 CYS CYS X . n A 1 257 TYR 257 342 342 TYR TYR X . n A 1 258 ARG 258 343 343 ARG ARG X . n A 1 259 TYR 259 344 344 TYR TYR X . n A 1 260 ARG 260 345 345 ARG ARG X . n A 1 261 CYS 261 346 346 CYS CYS X . n A 1 262 ALA 262 347 347 ALA ALA X . n A 1 263 ALA 263 348 348 ALA ALA X . n A 1 264 ARG 264 349 349 ARG ARG X . n A 1 265 SER 265 350 350 SER SER X . n A 1 266 GLN 266 351 351 GLN GLN X . n A 1 267 ASN 267 352 352 ASN ASN X . n A 1 268 THR 268 353 353 THR THR X . n A 1 269 PRO 269 354 354 PRO PRO X . n A 1 270 ASP 270 355 355 ASP ASP X . n A 1 271 SER 271 356 356 SER SER X . n A 1 272 SER 272 357 357 SER SER X . n A 1 273 ALA 273 358 358 ALA ALA X . n A 1 274 SER 274 359 359 SER SER X . n A 1 275 ASN 275 360 360 ASN ASN X . n A 1 276 LEU 276 361 361 LEU LEU X . n A 1 277 GLY 277 362 362 GLY GLY X . n A 1 278 PHE 278 363 363 PHE PHE X . n A 1 279 ARG 279 364 364 ARG ARG X . n A 1 280 CYS 280 365 365 CYS CYS X . n A 1 281 ALA 281 366 366 ALA ALA X . n A 1 282 ALA 282 367 367 ALA ALA X . n A 1 283 ASP 283 368 368 ASP ASP X . n A 1 284 ARG 284 369 369 ARG ARG X . n A 1 285 LEU 285 370 370 LEU LEU X . n A 1 286 PRO 286 371 371 PRO PRO X . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 1 1 NAG NAG X . C 2 NAG 2 2 2 NAG NAG X . D 3 CA 1 1001 1 CA CA X . E 3 CA 1 1002 2 CA CA X . F 4 ACM 1 2001 1 ACM ACM X . G 5 HOH 1 2002 1 HOH HOH X . G 5 HOH 2 2003 2 HOH HOH X . G 5 HOH 3 2004 3 HOH HOH X . G 5 HOH 4 2005 4 HOH HOH X . G 5 HOH 5 2006 5 HOH HOH X . G 5 HOH 6 2007 6 HOH HOH X . G 5 HOH 7 2008 7 HOH HOH X . G 5 HOH 8 2009 8 HOH HOH X . G 5 HOH 9 2010 9 HOH HOH X . G 5 HOH 10 2011 10 HOH HOH X . G 5 HOH 11 2012 11 HOH HOH X . G 5 HOH 12 2013 12 HOH HOH X . G 5 HOH 13 2014 13 HOH HOH X . G 5 HOH 14 2015 14 HOH HOH X . G 5 HOH 15 2016 15 HOH HOH X . G 5 HOH 16 2017 16 HOH HOH X . G 5 HOH 17 2018 17 HOH HOH X . G 5 HOH 18 2019 18 HOH HOH X . G 5 HOH 19 2020 19 HOH HOH X . G 5 HOH 20 2021 20 HOH HOH X . G 5 HOH 21 2022 21 HOH HOH X . G 5 HOH 22 2023 22 HOH HOH X . G 5 HOH 23 2024 23 HOH HOH X . G 5 HOH 24 2025 24 HOH HOH X . G 5 HOH 25 2026 25 HOH HOH X . G 5 HOH 26 2027 26 HOH HOH X . G 5 HOH 27 2028 27 HOH HOH X . G 5 HOH 28 2029 28 HOH HOH X . G 5 HOH 29 2030 29 HOH HOH X . G 5 HOH 30 2031 30 HOH HOH X . G 5 HOH 31 2032 31 HOH HOH X . G 5 HOH 32 2033 32 HOH HOH X . G 5 HOH 33 2034 33 HOH HOH X . G 5 HOH 34 2035 34 HOH HOH X . G 5 HOH 35 2036 35 HOH HOH X . G 5 HOH 36 2037 36 HOH HOH X . G 5 HOH 37 2038 37 HOH HOH X . G 5 HOH 38 2039 38 HOH HOH X . G 5 HOH 39 2040 39 HOH HOH X . G 5 HOH 40 2041 40 HOH HOH X . G 5 HOH 41 2042 41 HOH HOH X . G 5 HOH 42 2043 42 HOH HOH X . G 5 HOH 43 2044 43 HOH HOH X . G 5 HOH 44 2045 44 HOH HOH X . G 5 HOH 45 2046 45 HOH HOH X . G 5 HOH 46 2047 46 HOH HOH X . G 5 HOH 47 2048 47 HOH HOH X . G 5 HOH 48 2049 48 HOH HOH X . G 5 HOH 49 2050 49 HOH HOH X . G 5 HOH 50 2051 50 HOH HOH X . G 5 HOH 51 2052 51 HOH HOH X . G 5 HOH 52 2053 52 HOH HOH X . G 5 HOH 53 2054 53 HOH HOH X . G 5 HOH 54 2055 54 HOH HOH X . G 5 HOH 55 2056 55 HOH HOH X . G 5 HOH 56 2057 56 HOH HOH X . G 5 HOH 57 2058 57 HOH HOH X . G 5 HOH 58 2059 58 HOH HOH X . G 5 HOH 59 2060 59 HOH HOH X . G 5 HOH 60 2061 60 HOH HOH X . G 5 HOH 61 2062 61 HOH HOH X . G 5 HOH 62 2063 62 HOH HOH X . G 5 HOH 63 2064 63 HOH HOH X . G 5 HOH 64 2065 64 HOH HOH X . G 5 HOH 65 2066 65 HOH HOH X . G 5 HOH 66 2067 66 HOH HOH X . G 5 HOH 67 2068 67 HOH HOH X . G 5 HOH 68 2069 68 HOH HOH X . G 5 HOH 69 2070 69 HOH HOH X . G 5 HOH 70 2071 70 HOH HOH X . G 5 HOH 71 2072 71 HOH HOH X . G 5 HOH 72 2073 72 HOH HOH X . G 5 HOH 73 2074 73 HOH HOH X . G 5 HOH 74 2075 74 HOH HOH X . G 5 HOH 75 2076 75 HOH HOH X . G 5 HOH 76 2077 76 HOH HOH X . G 5 HOH 77 2078 77 HOH HOH X . G 5 HOH 78 2079 78 HOH HOH X . G 5 HOH 79 2080 79 HOH HOH X . G 5 HOH 80 2081 80 HOH HOH X . G 5 HOH 81 2082 81 HOH HOH X . G 5 HOH 82 2083 82 HOH HOH X . G 5 HOH 83 2084 83 HOH HOH X . G 5 HOH 84 2085 84 HOH HOH X . G 5 HOH 85 2086 85 HOH HOH X . G 5 HOH 86 2087 86 HOH HOH X . G 5 HOH 87 2088 87 HOH HOH X . G 5 HOH 88 2089 88 HOH HOH X . G 5 HOH 89 2090 89 HOH HOH X . G 5 HOH 90 2091 90 HOH HOH X . G 5 HOH 91 2092 91 HOH HOH X . G 5 HOH 92 2093 92 HOH HOH X . G 5 HOH 93 2094 93 HOH HOH X . G 5 HOH 94 2095 94 HOH HOH X . G 5 HOH 95 2096 95 HOH HOH X . G 5 HOH 96 2097 96 HOH HOH X . G 5 HOH 97 2098 97 HOH HOH X . G 5 HOH 98 2099 98 HOH HOH X . G 5 HOH 99 2100 99 HOH HOH X . G 5 HOH 100 2101 100 HOH HOH X . G 5 HOH 101 2102 101 HOH HOH X . G 5 HOH 102 2103 102 HOH HOH X . G 5 HOH 103 2104 103 HOH HOH X . G 5 HOH 104 2105 104 HOH HOH X . G 5 HOH 105 2106 105 HOH HOH X . G 5 HOH 106 2107 106 HOH HOH X . G 5 HOH 107 2108 107 HOH HOH X . G 5 HOH 108 2109 108 HOH HOH X . G 5 HOH 109 2110 109 HOH HOH X . G 5 HOH 110 2111 110 HOH HOH X . G 5 HOH 111 2112 111 HOH HOH X . G 5 HOH 112 2113 112 HOH HOH X . G 5 HOH 113 2114 113 HOH HOH X . G 5 HOH 114 2115 114 HOH HOH X . G 5 HOH 115 2116 115 HOH HOH X . G 5 HOH 116 2117 116 HOH HOH X . G 5 HOH 117 2118 117 HOH HOH X . G 5 HOH 118 2119 118 HOH HOH X . G 5 HOH 119 2120 119 HOH HOH X . G 5 HOH 120 2121 120 HOH HOH X . G 5 HOH 121 2122 121 HOH HOH X . G 5 HOH 122 2123 122 HOH HOH X . G 5 HOH 123 2124 123 HOH HOH X . G 5 HOH 124 2125 124 HOH HOH X . G 5 HOH 125 2126 125 HOH HOH X . G 5 HOH 126 2127 126 HOH HOH X . G 5 HOH 127 2128 127 HOH HOH X . G 5 HOH 128 2129 128 HOH HOH X . G 5 HOH 129 2130 129 HOH HOH X . G 5 HOH 130 2131 130 HOH HOH X . G 5 HOH 131 2132 131 HOH HOH X . G 5 HOH 132 2133 132 HOH HOH X . G 5 HOH 133 2134 133 HOH HOH X . G 5 HOH 134 2135 134 HOH HOH X . G 5 HOH 135 2136 135 HOH HOH X . G 5 HOH 136 2137 136 HOH HOH X . G 5 HOH 137 2138 137 HOH HOH X . G 5 HOH 138 2139 138 HOH HOH X . G 5 HOH 139 2140 139 HOH HOH X . G 5 HOH 140 2141 140 HOH HOH X . G 5 HOH 141 2142 141 HOH HOH X . G 5 HOH 142 2143 142 HOH HOH X . G 5 HOH 143 2144 143 HOH HOH X . G 5 HOH 144 2145 144 HOH HOH X . G 5 HOH 145 2146 145 HOH HOH X . G 5 HOH 146 2147 146 HOH HOH X . G 5 HOH 147 2148 147 HOH HOH X . G 5 HOH 148 2149 148 HOH HOH X . G 5 HOH 149 2150 149 HOH HOH X . G 5 HOH 150 2151 150 HOH HOH X . G 5 HOH 151 2152 151 HOH HOH X . G 5 HOH 152 2153 152 HOH HOH X . G 5 HOH 153 2154 153 HOH HOH X . G 5 HOH 154 2155 154 HOH HOH X . G 5 HOH 155 2156 155 HOH HOH X . G 5 HOH 156 2157 156 HOH HOH X . G 5 HOH 157 2158 157 HOH HOH X . G 5 HOH 158 2159 158 HOH HOH X . G 5 HOH 159 2160 159 HOH HOH X . G 5 HOH 160 2161 160 HOH HOH X . G 5 HOH 161 2162 161 HOH HOH X . G 5 HOH 162 2163 162 HOH HOH X . G 5 HOH 163 2164 163 HOH HOH X . G 5 HOH 164 2165 164 HOH HOH X . G 5 HOH 165 2166 165 HOH HOH X . G 5 HOH 166 2167 166 HOH HOH X . G 5 HOH 167 2168 167 HOH HOH X . G 5 HOH 168 2169 168 HOH HOH X . G 5 HOH 169 2170 169 HOH HOH X . G 5 HOH 170 2171 170 HOH HOH X . G 5 HOH 171 2172 171 HOH HOH X . G 5 HOH 172 2173 172 HOH HOH X . G 5 HOH 173 2174 173 HOH HOH X . G 5 HOH 174 2175 174 HOH HOH X . G 5 HOH 175 2176 175 HOH HOH X . G 5 HOH 176 2177 176 HOH HOH X . G 5 HOH 177 2178 177 HOH HOH X . G 5 HOH 178 2179 178 HOH HOH X . G 5 HOH 179 2180 179 HOH HOH X . G 5 HOH 180 2181 180 HOH HOH X . G 5 HOH 181 2182 181 HOH HOH X . G 5 HOH 182 2183 182 HOH HOH X . G 5 HOH 183 2184 183 HOH HOH X . G 5 HOH 184 2185 184 HOH HOH X . G 5 HOH 185 2186 185 HOH HOH X . G 5 HOH 186 2187 186 HOH HOH X . G 5 HOH 187 2188 187 HOH HOH X . G 5 HOH 188 2189 188 HOH HOH X . G 5 HOH 189 2190 189 HOH HOH X . G 5 HOH 190 2191 190 HOH HOH X . G 5 HOH 191 2192 191 HOH HOH X . G 5 HOH 192 2193 192 HOH HOH X . G 5 HOH 193 2194 193 HOH HOH X . G 5 HOH 194 2195 194 HOH HOH X . G 5 HOH 195 2196 195 HOH HOH X . G 5 HOH 196 2197 196 HOH HOH X . G 5 HOH 197 2198 197 HOH HOH X . G 5 HOH 198 2199 198 HOH HOH X . G 5 HOH 199 2200 199 HOH HOH X . G 5 HOH 200 2201 200 HOH HOH X . G 5 HOH 201 2202 201 HOH HOH X . G 5 HOH 202 2203 202 HOH HOH X . G 5 HOH 203 2204 203 HOH HOH X . G 5 HOH 204 2205 204 HOH HOH X . G 5 HOH 205 2206 205 HOH HOH X . G 5 HOH 206 2207 206 HOH HOH X . G 5 HOH 207 2208 207 HOH HOH X . G 5 HOH 208 2209 208 HOH HOH X . G 5 HOH 209 2210 209 HOH HOH X . G 5 HOH 210 2211 210 HOH HOH X . G 5 HOH 211 2212 211 HOH HOH X . G 5 HOH 212 2213 212 HOH HOH X . G 5 HOH 213 2214 213 HOH HOH X . G 5 HOH 214 2215 214 HOH HOH X . G 5 HOH 215 2216 215 HOH HOH X . G 5 HOH 216 2217 216 HOH HOH X . G 5 HOH 217 2218 217 HOH HOH X . G 5 HOH 218 2219 218 HOH HOH X . G 5 HOH 219 2220 219 HOH HOH X . G 5 HOH 220 2221 220 HOH HOH X . G 5 HOH 221 2222 221 HOH HOH X . G 5 HOH 222 2223 222 HOH HOH X . G 5 HOH 223 2224 223 HOH HOH X . G 5 HOH 224 2225 224 HOH HOH X . G 5 HOH 225 2226 225 HOH HOH X . G 5 HOH 226 2227 226 HOH HOH X . G 5 HOH 227 2228 227 HOH HOH X . G 5 HOH 228 2229 228 HOH HOH X . G 5 HOH 229 2230 229 HOH HOH X . G 5 HOH 230 2231 230 HOH HOH X . G 5 HOH 231 2232 231 HOH HOH X . G 5 HOH 232 2233 232 HOH HOH X . G 5 HOH 233 2234 233 HOH HOH X . G 5 HOH 234 2235 234 HOH HOH X . G 5 HOH 235 2236 235 HOH HOH X . G 5 HOH 236 2237 236 HOH HOH X . G 5 HOH 237 2238 237 HOH HOH X . G 5 HOH 238 2239 238 HOH HOH X . G 5 HOH 239 2240 239 HOH HOH X . G 5 HOH 240 2241 240 HOH HOH X . G 5 HOH 241 2242 241 HOH HOH X . G 5 HOH 242 2243 242 HOH HOH X . G 5 HOH 243 2244 243 HOH HOH X . G 5 HOH 244 2245 244 HOH HOH X . G 5 HOH 245 2246 245 HOH HOH X . G 5 HOH 246 2247 246 HOH HOH X . G 5 HOH 247 2248 247 HOH HOH X . G 5 HOH 248 2249 248 HOH HOH X . G 5 HOH 249 2250 249 HOH HOH X . G 5 HOH 250 2251 251 HOH HOH X . G 5 HOH 251 2252 252 HOH HOH X . G 5 HOH 252 2253 253 HOH HOH X . G 5 HOH 253 2254 254 HOH HOH X . G 5 HOH 254 2255 255 HOH HOH X . G 5 HOH 255 2256 256 HOH HOH X . G 5 HOH 256 2257 257 HOH HOH X . G 5 HOH 257 2258 258 HOH HOH X . G 5 HOH 258 2259 259 HOH HOH X . G 5 HOH 259 2260 260 HOH HOH X . G 5 HOH 260 2261 261 HOH HOH X . G 5 HOH 261 2262 262 HOH HOH X . G 5 HOH 262 2263 263 HOH HOH X . G 5 HOH 263 2264 264 HOH HOH X . G 5 HOH 264 2265 265 HOH HOH X . G 5 HOH 265 2266 266 HOH HOH X . G 5 HOH 266 2267 267 HOH HOH X . G 5 HOH 267 2268 268 HOH HOH X . G 5 HOH 268 2269 269 HOH HOH X . G 5 HOH 269 2270 270 HOH HOH X . G 5 HOH 270 2271 271 HOH HOH X . G 5 HOH 271 2272 272 HOH HOH X . G 5 HOH 272 2273 273 HOH HOH X . G 5 HOH 273 2274 274 HOH HOH X . G 5 HOH 274 2275 275 HOH HOH X . G 5 HOH 275 2276 276 HOH HOH X . G 5 HOH 276 2277 277 HOH HOH X . G 5 HOH 277 2278 278 HOH HOH X . G 5 HOH 278 2279 279 HOH HOH X . G 5 HOH 279 2280 280 HOH HOH X . G 5 HOH 280 2281 281 HOH HOH X . G 5 HOH 281 2282 282 HOH HOH X . G 5 HOH 282 2283 283 HOH HOH X . G 5 HOH 283 2284 284 HOH HOH X . G 5 HOH 284 2285 285 HOH HOH X . G 5 HOH 285 2286 286 HOH HOH X . G 5 HOH 286 2287 287 HOH HOH X . G 5 HOH 287 2288 288 HOH HOH X . G 5 HOH 288 2289 289 HOH HOH X . G 5 HOH 289 2290 290 HOH HOH X . G 5 HOH 290 2291 291 HOH HOH X . G 5 HOH 291 2292 292 HOH HOH X . G 5 HOH 292 2293 293 HOH HOH X . G 5 HOH 293 2294 294 HOH HOH X . G 5 HOH 294 2295 295 HOH HOH X . G 5 HOH 295 2296 296 HOH HOH X . G 5 HOH 296 2297 297 HOH HOH X . G 5 HOH 297 2298 298 HOH HOH X . G 5 HOH 298 2299 299 HOH HOH X . G 5 HOH 299 2300 300 HOH HOH X . G 5 HOH 300 2301 301 HOH HOH X . G 5 HOH 301 2302 302 HOH HOH X . G 5 HOH 302 2303 303 HOH HOH X . G 5 HOH 303 2304 304 HOH HOH X . G 5 HOH 304 2305 305 HOH HOH X . G 5 HOH 305 2306 306 HOH HOH X . G 5 HOH 306 2307 307 HOH HOH X . G 5 HOH 307 2308 308 HOH HOH X . G 5 HOH 308 2309 309 HOH HOH X . G 5 HOH 309 2310 310 HOH HOH X . G 5 HOH 310 2311 311 HOH HOH X . G 5 HOH 311 2312 312 HOH HOH X . G 5 HOH 312 2313 313 HOH HOH X . G 5 HOH 313 2314 314 HOH HOH X . G 5 HOH 314 2315 315 HOH HOH X . G 5 HOH 315 2316 316 HOH HOH X . G 5 HOH 316 2317 317 HOH HOH X . G 5 HOH 317 2318 318 HOH HOH X . G 5 HOH 318 2319 319 HOH HOH X . G 5 HOH 319 2320 320 HOH HOH X . G 5 HOH 320 2321 321 HOH HOH X . G 5 HOH 321 2322 322 HOH HOH X . G 5 HOH 322 2323 323 HOH HOH X . G 5 HOH 323 2324 324 HOH HOH X . G 5 HOH 324 2325 325 HOH HOH X . G 5 HOH 325 2326 326 HOH HOH X . G 5 HOH 326 2327 327 HOH HOH X . G 5 HOH 327 2328 328 HOH HOH X . G 5 HOH 328 2329 329 HOH HOH X . G 5 HOH 329 2330 330 HOH HOH X . G 5 HOH 330 2331 331 HOH HOH X . G 5 HOH 331 2332 332 HOH HOH X . G 5 HOH 332 2333 333 HOH HOH X . G 5 HOH 333 2334 334 HOH HOH X . G 5 HOH 334 2335 335 HOH HOH X . G 5 HOH 335 2336 336 HOH HOH X . G 5 HOH 336 2337 337 HOH HOH X . G 5 HOH 337 2338 338 HOH HOH X . G 5 HOH 338 2339 339 HOH HOH X . G 5 HOH 339 2340 340 HOH HOH X . G 5 HOH 340 2341 341 HOH HOH X . G 5 HOH 341 2342 342 HOH HOH X . G 5 HOH 342 2343 343 HOH HOH X . G 5 HOH 343 2344 344 HOH HOH X . G 5 HOH 344 2345 345 HOH HOH X . G 5 HOH 345 2346 346 HOH HOH X . G 5 HOH 346 2347 347 HOH HOH X . G 5 HOH 347 2348 348 HOH HOH X . G 5 HOH 348 2349 349 HOH HOH X . G 5 HOH 349 2350 350 HOH HOH X . G 5 HOH 350 2351 351 HOH HOH X . G 5 HOH 351 2352 352 HOH HOH X . G 5 HOH 352 2353 353 HOH HOH X . G 5 HOH 353 2354 354 HOH HOH X . G 5 HOH 354 2355 355 HOH HOH X . G 5 HOH 355 2356 356 HOH HOH X . G 5 HOH 356 2357 357 HOH HOH X . G 5 HOH 357 2358 358 HOH HOH X . G 5 HOH 358 2359 359 HOH HOH X . G 5 HOH 359 2360 360 HOH HOH X . G 5 HOH 360 2361 361 HOH HOH X . G 5 HOH 361 2362 362 HOH HOH X . G 5 HOH 362 2363 363 HOH HOH X . G 5 HOH 363 2364 364 HOH HOH X . G 5 HOH 364 2365 365 HOH HOH X . G 5 HOH 365 2366 366 HOH HOH X . G 5 HOH 366 2367 367 HOH HOH X . G 5 HOH 367 2368 368 HOH HOH X . G 5 HOH 368 2369 369 HOH HOH X . G 5 HOH 369 2370 370 HOH HOH X . G 5 HOH 370 2371 371 HOH HOH X . G 5 HOH 371 2372 372 HOH HOH X . G 5 HOH 372 2373 373 HOH HOH X . G 5 HOH 373 2374 374 HOH HOH X . G 5 HOH 374 2375 375 HOH HOH X . G 5 HOH 375 2376 376 HOH HOH X . G 5 HOH 376 2377 377 HOH HOH X . G 5 HOH 377 2378 378 HOH HOH X . G 5 HOH 378 2379 379 HOH HOH X . G 5 HOH 379 2380 380 HOH HOH X . G 5 HOH 380 2381 381 HOH HOH X . G 5 HOH 381 2382 382 HOH HOH X . G 5 HOH 382 2383 383 HOH HOH X . G 5 HOH 383 2384 384 HOH HOH X . G 5 HOH 384 2385 385 HOH HOH X . G 5 HOH 385 2386 386 HOH HOH X . G 5 HOH 386 2387 387 HOH HOH X . G 5 HOH 387 2388 388 HOH HOH X . G 5 HOH 388 2389 389 HOH HOH X . G 5 HOH 389 2390 390 HOH HOH X . G 5 HOH 390 2391 391 HOH HOH X . G 5 HOH 391 2392 392 HOH HOH X . G 5 HOH 392 2393 393 HOH HOH X . G 5 HOH 393 2394 394 HOH HOH X . G 5 HOH 394 2395 395 HOH HOH X . G 5 HOH 395 2396 396 HOH HOH X . G 5 HOH 396 2397 397 HOH HOH X . G 5 HOH 397 2398 398 HOH HOH X . G 5 HOH 398 2399 400 HOH HOH X . G 5 HOH 399 2400 401 HOH HOH X . G 5 HOH 400 2401 402 HOH HOH X . G 5 HOH 401 2402 403 HOH HOH X . G 5 HOH 402 2403 404 HOH HOH X . G 5 HOH 403 2404 405 HOH HOH X . G 5 HOH 404 2405 406 HOH HOH X . G 5 HOH 405 2406 407 HOH HOH X . G 5 HOH 406 2407 408 HOH HOH X . G 5 HOH 407 2408 409 HOH HOH X . G 5 HOH 408 2409 410 HOH HOH X . G 5 HOH 409 2410 411 HOH HOH X . G 5 HOH 410 2411 412 HOH HOH X . G 5 HOH 411 2412 413 HOH HOH X . G 5 HOH 412 2413 414 HOH HOH X . G 5 HOH 413 2414 415 HOH HOH X . G 5 HOH 414 2415 416 HOH HOH X . G 5 HOH 415 2416 417 HOH HOH X . G 5 HOH 416 2417 418 HOH HOH X . G 5 HOH 417 2418 419 HOH HOH X . G 5 HOH 418 2419 420 HOH HOH X . G 5 HOH 419 2420 421 HOH HOH X . G 5 HOH 420 2421 422 HOH HOH X . G 5 HOH 421 2422 423 HOH HOH X . G 5 HOH 422 2423 424 HOH HOH X . G 5 HOH 423 2424 425 HOH HOH X . G 5 HOH 424 2425 426 HOH HOH X . G 5 HOH 425 2426 427 HOH HOH X . G 5 HOH 426 2427 428 HOH HOH X . G 5 HOH 427 2428 429 HOH HOH X . G 5 HOH 428 2429 430 HOH HOH X . G 5 HOH 429 2430 431 HOH HOH X . G 5 HOH 430 2431 432 HOH HOH X . G 5 HOH 431 2432 433 HOH HOH X . G 5 HOH 432 2433 434 HOH HOH X . G 5 HOH 433 2434 435 HOH HOH X . G 5 HOH 434 2435 436 HOH HOH X . G 5 HOH 435 2436 437 HOH HOH X . G 5 HOH 436 2437 438 HOH HOH X . G 5 HOH 437 2438 439 HOH HOH X . G 5 HOH 438 2439 440 HOH HOH X . G 5 HOH 439 2440 441 HOH HOH X . G 5 HOH 440 2441 442 HOH HOH X . G 5 HOH 441 2442 443 HOH HOH X . G 5 HOH 442 2443 444 HOH HOH X . G 5 HOH 443 2444 445 HOH HOH X . G 5 HOH 444 2445 446 HOH HOH X . G 5 HOH 445 2446 447 HOH HOH X . G 5 HOH 446 2447 448 HOH HOH X . G 5 HOH 447 2448 449 HOH HOH X . G 5 HOH 448 2449 450 HOH HOH X . G 5 HOH 449 2450 451 HOH HOH X . G 5 HOH 450 2451 452 HOH HOH X . G 5 HOH 451 2452 453 HOH HOH X . G 5 HOH 452 2453 454 HOH HOH X . G 5 HOH 453 2454 455 HOH HOH X . G 5 HOH 454 2455 456 HOH HOH X . G 5 HOH 455 2456 458 HOH HOH X . G 5 HOH 456 2457 459 HOH HOH X . G 5 HOH 457 2458 461 HOH HOH X . G 5 HOH 458 2459 462 HOH HOH X . G 5 HOH 459 2460 463 HOH HOH X . G 5 HOH 460 2461 464 HOH HOH X . G 5 HOH 461 2462 465 HOH HOH X . G 5 HOH 462 2463 466 HOH HOH X . G 5 HOH 463 2464 467 HOH HOH X . G 5 HOH 464 2465 468 HOH HOH X . G 5 HOH 465 2466 469 HOH HOH X . G 5 HOH 466 2467 470 HOH HOH X . G 5 HOH 467 2468 471 HOH HOH X . G 5 HOH 468 2469 472 HOH HOH X . G 5 HOH 469 2470 473 HOH HOH X . G 5 HOH 470 2471 474 HOH HOH X . G 5 HOH 471 2472 475 HOH HOH X . G 5 HOH 472 2473 476 HOH HOH X . G 5 HOH 473 2474 477 HOH HOH X . G 5 HOH 474 2475 478 HOH HOH X . G 5 HOH 475 2476 479 HOH HOH X . G 5 HOH 476 2477 480 HOH HOH X . G 5 HOH 477 2478 481 HOH HOH X . G 5 HOH 478 2479 482 HOH HOH X . G 5 HOH 479 2480 483 HOH HOH X . G 5 HOH 480 2481 484 HOH HOH X . G 5 HOH 481 2482 485 HOH HOH X . G 5 HOH 482 2483 486 HOH HOH X . G 5 HOH 483 2484 487 HOH HOH X . G 5 HOH 484 2485 488 HOH HOH X . G 5 HOH 485 2486 489 HOH HOH X . G 5 HOH 486 2487 490 HOH HOH X . G 5 HOH 487 2488 491 HOH HOH X . G 5 HOH 488 2489 492 HOH HOH X . G 5 HOH 489 2490 493 HOH HOH X . G 5 HOH 490 2491 494 HOH HOH X . G 5 HOH 491 2492 495 HOH HOH X . G 5 HOH 492 2493 496 HOH HOH X . G 5 HOH 493 2494 497 HOH HOH X . G 5 HOH 494 2495 498 HOH HOH X . G 5 HOH 495 2496 499 HOH HOH X . G 5 HOH 496 2497 500 HOH HOH X . G 5 HOH 497 2498 501 HOH HOH X . G 5 HOH 498 2499 502 HOH HOH X . G 5 HOH 499 2500 503 HOH HOH X . G 5 HOH 500 2501 504 HOH HOH X . G 5 HOH 501 2502 506 HOH HOH X . G 5 HOH 502 2503 507 HOH HOH X . G 5 HOH 503 2504 508 HOH HOH X . G 5 HOH 504 2505 509 HOH HOH X . G 5 HOH 505 2506 510 HOH HOH X . G 5 HOH 506 2507 511 HOH HOH X . G 5 HOH 507 2508 512 HOH HOH X . G 5 HOH 508 2509 513 HOH HOH X . G 5 HOH 509 2510 514 HOH HOH X . G 5 HOH 510 2511 515 HOH HOH X . G 5 HOH 511 2512 516 HOH HOH X . G 5 HOH 512 2513 517 HOH HOH X . G 5 HOH 513 2514 518 HOH HOH X . G 5 HOH 514 2515 519 HOH HOH X . G 5 HOH 515 2516 520 HOH HOH X . G 5 HOH 516 2517 522 HOH HOH X . G 5 HOH 517 2518 523 HOH HOH X . G 5 HOH 518 2519 524 HOH HOH X . G 5 HOH 519 2520 525 HOH HOH X . G 5 HOH 520 2521 526 HOH HOH X . G 5 HOH 521 2522 527 HOH HOH X . G 5 HOH 522 2523 528 HOH HOH X . G 5 HOH 523 2524 529 HOH HOH X . # _pdbx_struct_mod_residue.id 1 _pdbx_struct_mod_residue.label_asym_id A _pdbx_struct_mod_residue.label_comp_id ASN _pdbx_struct_mod_residue.label_seq_id 56 _pdbx_struct_mod_residue.auth_asym_id X _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 141 _pdbx_struct_mod_residue.PDB_ins_code ? _pdbx_struct_mod_residue.parent_comp_id ASN _pdbx_struct_mod_residue.details 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details monomeric _pdbx_struct_assembly.oligomeric_count 1 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G # _pdbx_struct_oper_list.id 1 _pdbx_struct_oper_list.type 'identity operation' _pdbx_struct_oper_list.name 1_555 _pdbx_struct_oper_list.symmetry_operation x,y,z _pdbx_struct_oper_list.matrix[1][1] 1.0000000000 _pdbx_struct_oper_list.matrix[1][2] 0.0000000000 _pdbx_struct_oper_list.matrix[1][3] 0.0000000000 _pdbx_struct_oper_list.vector[1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][1] 0.0000000000 _pdbx_struct_oper_list.matrix[2][2] 1.0000000000 _pdbx_struct_oper_list.matrix[2][3] 0.0000000000 _pdbx_struct_oper_list.vector[2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][1] 0.0000000000 _pdbx_struct_oper_list.matrix[3][2] 0.0000000000 _pdbx_struct_oper_list.matrix[3][3] 1.0000000000 _pdbx_struct_oper_list.vector[3] 0.0000000000 # _pdbx_struct_special_symmetry.id 1 _pdbx_struct_special_symmetry.PDB_model_num 1 _pdbx_struct_special_symmetry.auth_asym_id X _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 2507 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id G _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OE2 ? A GLU 45 ? X GLU 130 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A GLY 211 ? X GLY 296 ? 1_555 93.5 ? 2 OE2 ? A GLU 45 ? X GLU 130 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? G HOH . ? X HOH 2002 ? 1_555 162.1 ? 3 O ? A GLY 211 ? X GLY 296 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? G HOH . ? X HOH 2002 ? 1_555 83.7 ? 4 OE2 ? A GLU 45 ? X GLU 130 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ALA 213 ? X ALA 298 ? 1_555 86.5 ? 5 O ? A GLY 211 ? X GLY 296 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ALA 213 ? X ALA 298 ? 1_555 87.5 ? 6 O ? G HOH . ? X HOH 2002 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ALA 213 ? X ALA 298 ? 1_555 75.8 ? 7 OE2 ? A GLU 45 ? X GLU 130 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 OE2 ? A GLU 215 ? X GLU 300 ? 1_555 95.6 ? 8 O ? A GLY 211 ? X GLY 296 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 OE2 ? A GLU 215 ? X GLU 300 ? 1_555 164.4 ? 9 O ? G HOH . ? X HOH 2002 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 OE2 ? A GLU 215 ? X GLU 300 ? 1_555 91.5 ? 10 O ? A ALA 213 ? X ALA 298 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 OE2 ? A GLU 215 ? X GLU 300 ? 1_555 105.7 ? 11 OE2 ? A GLU 45 ? X GLU 130 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ASN 208 ? X ASN 293 ? 1_555 92.3 ? 12 O ? A GLY 211 ? X GLY 296 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ASN 208 ? X ASN 293 ? 1_555 86.2 ? 13 O ? G HOH . ? X HOH 2002 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ASN 208 ? X ASN 293 ? 1_555 105.0 ? 14 O ? A ALA 213 ? X ALA 298 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ASN 208 ? X ASN 293 ? 1_555 173.5 ? 15 OE2 ? A GLU 215 ? X GLU 300 ? 1_555 CA ? D CA . ? X CA 1001 ? 1_555 O ? A ASN 208 ? X ASN 293 ? 1_555 80.8 ? 16 O ? G HOH . ? X HOH 2015 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? G HOH . ? X HOH 2014 ? 1_555 88.1 ? 17 O ? G HOH . ? X HOH 2015 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASN 174 ? X ASN 259 ? 1_555 176.0 ? 18 O ? G HOH . ? X HOH 2014 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASN 174 ? X ASN 259 ? 1_555 91.7 ? 19 O ? G HOH . ? X HOH 2015 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD2 ? A ASP 188 ? X ASP 273 ? 1_555 94.8 ? 20 O ? G HOH . ? X HOH 2014 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD2 ? A ASP 188 ? X ASP 273 ? 1_555 147.9 ? 21 OD1 ? A ASN 174 ? X ASN 259 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD2 ? A ASP 188 ? X ASP 273 ? 1_555 87.5 ? 22 O ? G HOH . ? X HOH 2015 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A ILE 175 ? X ILE 260 ? 1_555 83.7 ? 23 O ? G HOH . ? X HOH 2014 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A ILE 175 ? X ILE 260 ? 1_555 74.6 ? 24 OD1 ? A ASN 174 ? X ASN 259 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A ILE 175 ? X ILE 260 ? 1_555 100.0 ? 25 OD2 ? A ASP 188 ? X ASP 273 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A ILE 175 ? X ILE 260 ? 1_555 73.9 ? 26 O ? G HOH . ? X HOH 2015 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A PHE 190 ? X PHE 275 ? 1_555 83.6 ? 27 O ? G HOH . ? X HOH 2014 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A PHE 190 ? X PHE 275 ? 1_555 80.8 ? 28 OD1 ? A ASN 174 ? X ASN 259 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A PHE 190 ? X PHE 275 ? 1_555 92.4 ? 29 OD2 ? A ASP 188 ? X ASP 273 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A PHE 190 ? X PHE 275 ? 1_555 131.3 ? 30 O ? A ILE 175 ? X ILE 260 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 O ? A PHE 190 ? X PHE 275 ? 1_555 152.6 ? 31 O ? G HOH . ? X HOH 2015 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASP 188 ? X ASP 273 ? 1_555 84.6 ? 32 O ? G HOH . ? X HOH 2014 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASP 188 ? X ASP 273 ? 1_555 158.3 ? 33 OD1 ? A ASN 174 ? X ASN 259 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASP 188 ? X ASP 273 ? 1_555 94.2 ? 34 OD2 ? A ASP 188 ? X ASP 273 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASP 188 ? X ASP 273 ? 1_555 53.4 ? 35 O ? A ILE 175 ? X ILE 260 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASP 188 ? X ASP 273 ? 1_555 124.6 ? 36 O ? A PHE 190 ? X PHE 275 ? 1_555 CA ? E CA . ? X CA 1002 ? 1_555 OD1 ? A ASP 188 ? X ASP 273 ? 1_555 78.1 ? # 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 2005-12-13 2 'Structure model' 1 1 2008-04-30 3 'Structure model' 1 2 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # loop_ _pdbx_audit_revision_group.ordinal _pdbx_audit_revision_group.revision_ordinal _pdbx_audit_revision_group.data_content_type _pdbx_audit_revision_group.group 1 2 'Structure model' 'Version format compliance' 2 3 'Structure model' 'Non-polymer description' 3 3 'Structure model' 'Version format compliance' # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0009 ? 1 DENZO 'data reduction' . ? 2 SCALEPACK 'data scaling' . ? 3 # loop_ _pdbx_validate_close_contact.id _pdbx_validate_close_contact.PDB_model_num _pdbx_validate_close_contact.auth_atom_id_1 _pdbx_validate_close_contact.auth_asym_id_1 _pdbx_validate_close_contact.auth_comp_id_1 _pdbx_validate_close_contact.auth_seq_id_1 _pdbx_validate_close_contact.PDB_ins_code_1 _pdbx_validate_close_contact.label_alt_id_1 _pdbx_validate_close_contact.auth_atom_id_2 _pdbx_validate_close_contact.auth_asym_id_2 _pdbx_validate_close_contact.auth_comp_id_2 _pdbx_validate_close_contact.auth_seq_id_2 _pdbx_validate_close_contact.PDB_ins_code_2 _pdbx_validate_close_contact.label_alt_id_2 _pdbx_validate_close_contact.dist 1 1 OE1 X GLN 110 ? B O X HOH 2256 ? ? 1.75 2 1 OD1 X ASP 203 ? B O X HOH 2089 ? ? 1.89 3 1 O X HOH 2082 ? ? O X HOH 2419 ? ? 2.19 # _pdbx_validate_symm_contact.id 1 _pdbx_validate_symm_contact.PDB_model_num 1 _pdbx_validate_symm_contact.auth_atom_id_1 O _pdbx_validate_symm_contact.auth_asym_id_1 X _pdbx_validate_symm_contact.auth_comp_id_1 HOH _pdbx_validate_symm_contact.auth_seq_id_1 2050 _pdbx_validate_symm_contact.PDB_ins_code_1 ? _pdbx_validate_symm_contact.label_alt_id_1 ? _pdbx_validate_symm_contact.site_symmetry_1 1_555 _pdbx_validate_symm_contact.auth_atom_id_2 O _pdbx_validate_symm_contact.auth_asym_id_2 X _pdbx_validate_symm_contact.auth_comp_id_2 HOH _pdbx_validate_symm_contact.auth_seq_id_2 2494 _pdbx_validate_symm_contact.PDB_ins_code_2 ? _pdbx_validate_symm_contact.label_alt_id_2 ? _pdbx_validate_symm_contact.site_symmetry_2 4_556 _pdbx_validate_symm_contact.dist 2.16 # 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 ILE X 260 ? ? -127.61 -160.48 2 1 PHE X 284 ? ? 70.71 163.13 3 1 ASN X 297 ? ? 71.84 -101.62 4 1 TYR X 340 ? A -123.58 -53.50 5 1 CYS X 341 ? B -149.21 -41.50 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 X LEU 86 ? CG ? A LEU 1 CG 2 1 Y 1 X LEU 86 ? CD1 ? A LEU 1 CD1 3 1 Y 1 X LEU 86 ? CD2 ? A LEU 1 CD2 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 X SER 163 ? A SER 78 2 1 Y 1 X GLU 164 ? A GLU 79 3 1 Y 1 X GLN 165 ? A GLN 80 4 1 Y 1 X VAL 166 ? A VAL 81 5 1 Y 1 X LYS 167 ? A LYS 82 6 1 Y 1 X THR 168 ? A THR 83 7 1 Y 1 X ASN 169 ? A ASN 84 8 1 Y 1 X ILE 170 ? A ILE 85 9 1 Y 1 X GLN 171 ? A GLN 86 10 1 Y 1 X GLN 172 ? A GLN 87 11 1 Y 1 X ALA 173 ? A ALA 88 12 1 Y 1 X VAL 174 ? A VAL 89 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 'CALCIUM ION' CA 4 ACETAMIDE ACM 5 water HOH #