data_4FS0 # _entry.id 4FS0 # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.281 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 4FS0 RCSB RCSB073282 WWPDB D_1000073282 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 4FMF 'Crystal structure of human nectin-1 full ectodomain D1-D3' unspecified PDB 4FMK 'Crystal structure of murine nectin-2 fragment D1-D2' unspecified PDB 4FN0 'Crystal structure of murine nectin-2 fragment D1-D2, 2nd crystal form' unspecified PDB 4FOM 'Crystal structure of human nectin-3 full ectodomain D1-D3' unspecified PDB 4FQP 'Crystal structure of human nectin-like 5 full ectodomain D1-D3' unspecified PDB 4FRW 'Crystal structure of human nectin-4 fragment D1-D2' unspecified # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 4FS0 _pdbx_database_status.recvd_initial_deposition_date 2012-06-26 _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.methods_development_category ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Harrison, O.J.' 1 'Brasch, J.' 2 'Shapiro, L.' 3 # _citation.id primary _citation.title 'Nectin ectodomain structures reveal a canonical adhesive interface.' _citation.journal_abbrev Nat.Struct.Mol.Biol. _citation.journal_volume 19 _citation.page_first 906 _citation.page_last 915 _citation.year 2012 _citation.journal_id_ASTM ? _citation.country US _citation.journal_id_ISSN 1545-9993 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 22902367 _citation.pdbx_database_id_DOI 10.1038/nsmb.2366 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Harrison, O.J.' 1 primary 'Vendome, J.' 2 primary 'Brasch, J.' 3 primary 'Jin, X.' 4 primary 'Hong, S.' 5 primary 'Katsamba, P.S.' 6 primary 'Ahlsen, G.' 7 primary 'Troyanovsky, R.B.' 8 primary 'Troyanovsky, S.M.' 9 primary 'Honig, B.' 10 primary 'Shapiro, L.' 11 # _cell.entry_id 4FS0 _cell.length_a 59.857 _cell.length_b 59.857 _cell.length_c 210.013 _cell.angle_alpha 90.00 _cell.angle_beta 90.00 _cell.angle_gamma 120.00 _cell.Z_PDB 12 _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 4FS0 _symmetry.space_group_name_H-M 'P 65 2 2' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 179 _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 'Poliovirus receptor-related protein 2' 24887.990 1 ? F136D 'extracellular domain (D1-D2, UNP residues 32-250)' ? 2 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 2 ? ? ? ? 3 non-polymer man ALPHA-L-FUCOSE 164.156 1 ? ? ? ? 4 non-polymer syn 'SULFATE ION' 96.063 1 ? ? ? ? 5 water nat water 18.015 12 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name ;Nectin-2, Herpes virus entry mediator B, Herpesvirus entry mediator B, HveB, Murine herpes virus entry protein B, mHveB, Poliovirus receptor homolog ; # _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 ;QDVRVRVLPEVRGRLGGTVELPCHLLPPTTERVSQVTWQRLDGTVVAAFHPSFGVDFPNSQFSKDRLSFVRARPETNADL RDATLAFRGLRVEDEGNYTCEFATDPNGTRRGVTWLRVIAQPENHAEAQEVTIGPQSVAVARCVSTGGRPPARITWISSL GGEAKDTQEPGIQAGTVTIISRYSLVPVGRADGVKVTCRVEHESFEEPILLPVTLSVRYHHHHHH ; _entity_poly.pdbx_seq_one_letter_code_can ;QDVRVRVLPEVRGRLGGTVELPCHLLPPTTERVSQVTWQRLDGTVVAAFHPSFGVDFPNSQFSKDRLSFVRARPETNADL RDATLAFRGLRVEDEGNYTCEFATDPNGTRRGVTWLRVIAQPENHAEAQEVTIGPQSVAVARCVSTGGRPPARITWISSL GGEAKDTQEPGIQAGTVTIISRYSLVPVGRADGVKVTCRVEHESFEEPILLPVTLSVRYHHHHHH ; _entity_poly.pdbx_strand_id A _entity_poly.pdbx_target_identifier ? # loop_ _entity_poly_seq.entity_id _entity_poly_seq.num _entity_poly_seq.mon_id _entity_poly_seq.hetero 1 1 GLN n 1 2 ASP n 1 3 VAL n 1 4 ARG n 1 5 VAL n 1 6 ARG n 1 7 VAL n 1 8 LEU n 1 9 PRO n 1 10 GLU n 1 11 VAL n 1 12 ARG n 1 13 GLY n 1 14 ARG n 1 15 LEU n 1 16 GLY n 1 17 GLY n 1 18 THR n 1 19 VAL n 1 20 GLU n 1 21 LEU n 1 22 PRO n 1 23 CYS n 1 24 HIS n 1 25 LEU n 1 26 LEU n 1 27 PRO n 1 28 PRO n 1 29 THR n 1 30 THR n 1 31 GLU n 1 32 ARG n 1 33 VAL n 1 34 SER n 1 35 GLN n 1 36 VAL n 1 37 THR n 1 38 TRP n 1 39 GLN n 1 40 ARG n 1 41 LEU n 1 42 ASP n 1 43 GLY n 1 44 THR n 1 45 VAL n 1 46 VAL n 1 47 ALA n 1 48 ALA n 1 49 PHE n 1 50 HIS n 1 51 PRO n 1 52 SER n 1 53 PHE n 1 54 GLY n 1 55 VAL n 1 56 ASP n 1 57 PHE n 1 58 PRO n 1 59 ASN n 1 60 SER n 1 61 GLN n 1 62 PHE n 1 63 SER n 1 64 LYS n 1 65 ASP n 1 66 ARG n 1 67 LEU n 1 68 SER n 1 69 PHE n 1 70 VAL n 1 71 ARG n 1 72 ALA n 1 73 ARG n 1 74 PRO n 1 75 GLU n 1 76 THR n 1 77 ASN n 1 78 ALA n 1 79 ASP n 1 80 LEU n 1 81 ARG n 1 82 ASP n 1 83 ALA n 1 84 THR n 1 85 LEU n 1 86 ALA n 1 87 PHE n 1 88 ARG n 1 89 GLY n 1 90 LEU n 1 91 ARG n 1 92 VAL n 1 93 GLU n 1 94 ASP n 1 95 GLU n 1 96 GLY n 1 97 ASN n 1 98 TYR n 1 99 THR n 1 100 CYS n 1 101 GLU n 1 102 PHE n 1 103 ALA n 1 104 THR n 1 105 ASP n 1 106 PRO n 1 107 ASN n 1 108 GLY n 1 109 THR n 1 110 ARG n 1 111 ARG n 1 112 GLY n 1 113 VAL n 1 114 THR n 1 115 TRP n 1 116 LEU n 1 117 ARG n 1 118 VAL n 1 119 ILE n 1 120 ALA n 1 121 GLN n 1 122 PRO n 1 123 GLU n 1 124 ASN n 1 125 HIS n 1 126 ALA n 1 127 GLU n 1 128 ALA n 1 129 GLN n 1 130 GLU n 1 131 VAL n 1 132 THR n 1 133 ILE n 1 134 GLY n 1 135 PRO n 1 136 GLN n 1 137 SER n 1 138 VAL n 1 139 ALA n 1 140 VAL n 1 141 ALA n 1 142 ARG n 1 143 CYS n 1 144 VAL n 1 145 SER n 1 146 THR n 1 147 GLY n 1 148 GLY n 1 149 ARG n 1 150 PRO n 1 151 PRO n 1 152 ALA n 1 153 ARG n 1 154 ILE n 1 155 THR n 1 156 TRP n 1 157 ILE n 1 158 SER n 1 159 SER n 1 160 LEU n 1 161 GLY n 1 162 GLY n 1 163 GLU n 1 164 ALA n 1 165 LYS n 1 166 ASP n 1 167 THR n 1 168 GLN n 1 169 GLU n 1 170 PRO n 1 171 GLY n 1 172 ILE n 1 173 GLN n 1 174 ALA n 1 175 GLY n 1 176 THR n 1 177 VAL n 1 178 THR n 1 179 ILE n 1 180 ILE n 1 181 SER n 1 182 ARG n 1 183 TYR n 1 184 SER n 1 185 LEU n 1 186 VAL n 1 187 PRO n 1 188 VAL n 1 189 GLY n 1 190 ARG n 1 191 ALA n 1 192 ASP n 1 193 GLY n 1 194 VAL n 1 195 LYS n 1 196 VAL n 1 197 THR n 1 198 CYS n 1 199 ARG n 1 200 VAL n 1 201 GLU n 1 202 HIS n 1 203 GLU n 1 204 SER n 1 205 PHE n 1 206 GLU n 1 207 GLU n 1 208 PRO n 1 209 ILE n 1 210 LEU n 1 211 LEU n 1 212 PRO n 1 213 VAL n 1 214 THR n 1 215 LEU n 1 216 SER n 1 217 VAL n 1 218 ARG n 1 219 TYR n 1 220 HIS n 1 221 HIS n 1 222 HIS n 1 223 HIS n 1 224 HIS n 1 225 HIS 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 mouse _entity_src_gen.gene_src_genus ? _entity_src_gen.pdbx_gene_src_gene 'Pvrl2, Mph, Pvr, Pvs' _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 'Mus musculus' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 10090 _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 ? _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 'HEK 293F' _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name pCEP4 _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code PVRL2_MOUSE _struct_ref.pdbx_db_accession P32507 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;QDVRVRVLPEVRGRLGGTVELPCHLLPPTTERVSQVTWQRLDGTVVAAFHPSFGVDFPNSQFSKDRLSFVRARPETNADL RDATLAFRGLRVEDEGNYTCEFATFPNGTRRGVTWLRVIAQPENHAEAQEVTIGPQSVAVARCVSTGGRPPARITWISSL GGEAKDTQEPGIQAGTVTIISRYSLVPVGRADGVKVTCRVEHESFEEPILLPVTLSVRY ; _struct_ref.pdbx_align_begin 32 _struct_ref.pdbx_db_isoform ? # _struct_ref_seq.align_id 1 _struct_ref_seq.ref_id 1 _struct_ref_seq.pdbx_PDB_id_code 4FS0 _struct_ref_seq.pdbx_strand_id A _struct_ref_seq.seq_align_beg 1 _struct_ref_seq.pdbx_seq_align_beg_ins_code ? _struct_ref_seq.seq_align_end 219 _struct_ref_seq.pdbx_seq_align_end_ins_code ? _struct_ref_seq.pdbx_db_accession P32507 _struct_ref_seq.db_align_beg 32 _struct_ref_seq.pdbx_db_align_beg_ins_code ? _struct_ref_seq.db_align_end 250 _struct_ref_seq.pdbx_db_align_end_ins_code ? _struct_ref_seq.pdbx_auth_seq_align_beg 32 _struct_ref_seq.pdbx_auth_seq_align_end 250 # loop_ _struct_ref_seq_dif.align_id _struct_ref_seq_dif.pdbx_pdb_id_code _struct_ref_seq_dif.mon_id _struct_ref_seq_dif.pdbx_pdb_strand_id _struct_ref_seq_dif.seq_num _struct_ref_seq_dif.pdbx_pdb_ins_code _struct_ref_seq_dif.pdbx_seq_db_name _struct_ref_seq_dif.pdbx_seq_db_accession_code _struct_ref_seq_dif.db_mon_id _struct_ref_seq_dif.pdbx_seq_db_seq_num _struct_ref_seq_dif.details _struct_ref_seq_dif.pdbx_auth_seq_num _struct_ref_seq_dif.pdbx_ordinal 1 4FS0 ASP A 105 ? UNP P32507 PHE 136 'ENGINEERED MUTATION' 136 1 1 4FS0 HIS A 220 ? UNP P32507 ? ? 'EXPRESSION TAG' 251 2 1 4FS0 HIS A 221 ? UNP P32507 ? ? 'EXPRESSION TAG' 252 3 1 4FS0 HIS A 222 ? UNP P32507 ? ? 'EXPRESSION TAG' 253 4 1 4FS0 HIS A 223 ? UNP P32507 ? ? 'EXPRESSION TAG' 254 5 1 4FS0 HIS A 224 ? UNP P32507 ? ? 'EXPRESSION TAG' 255 6 1 4FS0 HIS A 225 ? UNP P32507 ? ? 'EXPRESSION TAG' 256 7 # loop_ _chem_comp.id _chem_comp.type _chem_comp.mon_nstd_flag _chem_comp.name _chem_comp.pdbx_synonyms _chem_comp.formula _chem_comp.formula_weight ALA 'L-peptide linking' y ALANINE ? 'C3 H7 N O2' 89.093 ARG 'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1' 175.209 ASN 'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3' 132.118 ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4' 133.103 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 FUC saccharide . ALPHA-L-FUCOSE ? 'C6 H12 O5' 164.156 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 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 SO4 non-polymer . 'SULFATE ION' ? 'O4 S -2' 96.063 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 4FS0 _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.18 _exptl_crystal.density_percent_sol 43.63 _exptl_crystal.description ? _exptl_crystal.F_000 ? _exptl_crystal.preparation ? # _exptl_crystal_grow.crystal_id 1 _exptl_crystal_grow.method 'VAPOR DIFFUSION, HANGING DROP' _exptl_crystal_grow.temp 293.15 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 5.5 _exptl_crystal_grow.pdbx_details ;1 M lithium sulfate, 0.6 M ammonium sulfate, 0.1 M tri-sodium citrate, pH 5.5, cryoprotectant: 30% w/v glycerol, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K ; _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 CCD _diffrn_detector.type 'MAR CCD 165 mm' _diffrn_detector.pdbx_collection_date 2012-03-03 _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 'Bent single Si(111) crystal (horizontal focusing and deflection)' _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.9792 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'NSLS BEAMLINE X4C' _diffrn_source.pdbx_synchrotron_site NSLS _diffrn_source.pdbx_synchrotron_beamline X4C _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.9792 # _reflns.entry_id 4FS0 _reflns.observed_criterion_sigma_I -3 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 30 _reflns.d_resolution_high 3.25 _reflns.number_obs 19387 _reflns.number_all 19387 _reflns.percent_possible_obs 99.8 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.11 _reflns.pdbx_netI_over_sigmaI 13.7 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 6.3 _reflns.R_free_details ? _reflns.limit_h_max ? _reflns.limit_h_min ? _reflns.limit_k_max ? _reflns.limit_k_min ? _reflns.limit_l_max ? _reflns.limit_l_min ? _reflns.observed_criterion_F_max ? _reflns.observed_criterion_F_min ? _reflns.pdbx_chi_squared ? _reflns.pdbx_scaling_rejects ? _reflns.pdbx_ordinal 1 _reflns.pdbx_diffrn_id 1 # loop_ _reflns_shell.d_res_high _reflns_shell.d_res_low _reflns_shell.percent_possible_all _reflns_shell.Rmerge_I_obs _reflns_shell.pdbx_Rsym_value _reflns_shell.meanI_over_sigI_obs _reflns_shell.pdbx_redundancy _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 _reflns_shell.pdbx_diffrn_id 3.25 3.37 93.2 ? 0.35 2.5 5.7 ? ? ? ? ? ? 1 1 3.37 3.5 99.5 ? ? ? ? ? ? ? ? ? ? 2 1 3.5 3.66 100.0 ? ? ? ? ? ? ? ? ? ? 3 1 3.66 3.85 99.7 ? ? ? ? ? ? ? ? ? ? 4 1 3.85 4.09 100.0 ? ? ? ? ? ? ? ? ? ? 5 1 4.09 4.41 99.7 ? ? ? ? ? ? ? ? ? ? 6 1 4.41 4.85 100.0 ? ? ? ? ? ? ? ? ? ? 7 1 4.85 5.55 99.8 ? ? ? ? ? ? ? ? ? ? 8 1 5.55 6.98 100.0 ? ? ? ? ? ? ? ? ? ? 9 1 6.98 30 99.6 ? ? ? ? ? ? ? ? ? ? 10 1 # _refine.entry_id 4FS0 _refine.ls_number_reflns_obs 3532 _refine.ls_number_reflns_all 19387 _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 20.00 _refine.ls_d_res_high 3.25 _refine.ls_percent_reflns_obs 98.76 _refine.ls_R_factor_obs 0.24979 _refine.ls_R_factor_all 0.24979 _refine.ls_R_factor_R_work 0.24033 _refine.ls_R_factor_R_free 0.33476 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 9.6 _refine.ls_number_reflns_R_free 375 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.896 _refine.correlation_coeff_Fo_to_Fc_free 0.789 _refine.B_iso_mean 52.836 _refine.aniso_B[1][1] 1.78 _refine.aniso_B[2][2] 1.78 _refine.aniso_B[3][3] -2.68 _refine.aniso_B[1][2] 0.89 _refine.aniso_B[1][3] 0.00 _refine.aniso_B[2][3] 0.00 _refine.solvent_model_details 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 4FMK' _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 ? _refine.pdbx_overall_ESU_R_Free 0.794 _refine.overall_SU_ML 0.641 _refine.pdbx_overall_phase_error ? _refine.overall_SU_B 77.143 _refine.overall_SU_R_Cruickshank_DPI ? _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_diffrn_id 1 _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _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 1684 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 43 _refine_hist.number_atoms_solvent 12 _refine_hist.number_atoms_total 1739 _refine_hist.d_res_high 3.25 _refine_hist.d_res_low 20.00 # 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_restraint_function _refine_ls_restr.pdbx_refine_id r_bond_refined_d 0.012 0.019 ? 1767 ? 'X-RAY DIFFRACTION' r_bond_other_d 0.003 0.020 ? 1215 ? 'X-RAY DIFFRACTION' r_angle_refined_deg 1.556 1.987 ? 2416 ? 'X-RAY DIFFRACTION' r_angle_other_deg 1.130 3.003 ? 2919 ? 'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 6.827 5.000 ? 217 ? 'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 39.520 22.152 ? 79 ? 'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 23.063 15.000 ? 269 ? 'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 22.082 15.000 ? 22 ? 'X-RAY DIFFRACTION' r_chiral_restr 0.077 0.200 ? 284 ? 'X-RAY DIFFRACTION' r_gen_planes_refined 0.007 0.021 ? 1950 ? 'X-RAY DIFFRACTION' r_gen_planes_other 0.002 0.020 ? 369 ? 'X-RAY DIFFRACTION' r_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbtor_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_nbtor_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_xyhbond_nbd_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_metal_ion_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_metal_ion_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_vdw_refined ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_vdw_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_symmetry_hbond_refined ? ? ? ? ? '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 ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcbond_other ? ? ? ? ? 'X-RAY DIFFRACTION' r_mcangle_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_scbond_it ? ? ? ? ? 'X-RAY DIFFRACTION' r_scangle_it ? ? ? ? ? '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 3.25 _refine_ls_shell.d_res_low 3.335 _refine_ls_shell.number_reflns_R_work 165 _refine_ls_shell.R_factor_R_work 0.297 _refine_ls_shell.percent_reflns_obs 84.43 _refine_ls_shell.R_factor_R_free 0.280 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 14 _refine_ls_shell.number_reflns_all ? _refine_ls_shell.R_factor_all ? _refine_ls_shell.number_reflns_obs ? _refine_ls_shell.redundancy_reflns_obs ? _refine_ls_shell.pdbx_refine_id 'X-RAY DIFFRACTION' # _struct.entry_id 4FS0 _struct.title 'Crystal structure of mutant F136D of mouse nectin-2 extracellular fragment D1-D2' _struct.pdbx_descriptor 'Poliovirus receptor-related protein 2' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 4FS0 _struct_keywords.pdbx_keywords 'CELL ADHESION' _struct_keywords.text 'Immunoglobulin-like domain, Ig domain, viral entry receptor, CELL ADHESION' # loop_ _struct_asym.id _struct_asym.pdbx_blank_PDB_chainid_flag _struct_asym.pdbx_modified _struct_asym.entity_id _struct_asym.details A N N 1 ? B N N 2 ? C N N 2 ? D N N 3 ? E N N 4 ? F N N 5 ? # _struct_biol.id 1 _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 THR A 76 ? ARG A 81 ? THR A 107 ARG A 112 5 ? 6 HELX_P HELX_P2 2 ARG A 91 ? GLU A 95 ? ARG A 122 GLU A 126 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 23 SG ? ? ? 1_555 A CYS 100 SG ? ? A CYS 54 A CYS 131 1_555 ? ? ? ? ? ? ? 2.018 ? disulf2 disulf ? ? A CYS 143 SG ? ? ? 1_555 A CYS 198 SG ? ? A CYS 174 A CYS 229 1_555 ? ? ? ? ? ? ? 2.036 ? covale1 covale ? ? A ASN 97 ND2 ? ? ? 1_555 B NAG . C1 ? ? A ASN 128 A NAG 301 1_555 ? ? ? ? ? ? ? 1.721 ? covale2 covale ? ? B NAG . O6 ? ? ? 1_555 D FUC . C1 ? ? A NAG 301 A FUC 303 1_555 ? ? ? ? ? ? ? 1.648 ? covale3 covale ? ? B NAG . O4 ? ? ? 1_555 C NAG . C1 ? ? A NAG 301 A NAG 302 1_555 ? ? ? ? ? ? ? 1.439 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 ASP 105 A . ? ASP 136 A PRO 106 A ? PRO 137 A 1 -12.29 2 ASN 107 A . ? ASN 138 A GLY 108 A ? GLY 139 A 1 -11.91 3 ARG 149 A . ? ARG 180 A PRO 150 A ? PRO 181 A 1 1.60 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 2 ? B ? 6 ? C ? 3 ? D ? 4 ? E ? 3 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel B 1 2 ? parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel # 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 VAL A 5 ? ARG A 6 ? VAL A 36 ARG A 37 A 2 HIS A 24 ? LEU A 25 ? HIS A 55 LEU A 56 B 1 GLU A 10 ? ARG A 14 ? GLU A 41 ARG A 45 B 2 ARG A 110 ? ILE A 119 ? ARG A 141 ILE A 150 B 3 GLY A 96 ? THR A 104 ? GLY A 127 THR A 135 B 4 VAL A 33 ? ARG A 40 ? VAL A 64 ARG A 71 B 5 VAL A 45 ? HIS A 50 ? VAL A 76 HIS A 81 B 6 GLY A 54 ? ASP A 56 ? GLY A 85 ASP A 87 C 1 VAL A 19 ? LEU A 21 ? VAL A 50 LEU A 52 C 2 LEU A 85 ? PHE A 87 ? LEU A 116 PHE A 118 C 3 LEU A 67 ? PHE A 69 ? LEU A 98 PHE A 100 D 1 GLU A 123 ? ALA A 128 ? GLU A 154 ALA A 159 D 2 VAL A 138 ? GLY A 148 ? VAL A 169 GLY A 179 D 3 VAL A 177 ? LEU A 185 ? VAL A 208 LEU A 216 D 4 GLU A 163 ? PRO A 170 ? GLU A 194 PRO A 201 E 1 ARG A 153 ? ILE A 157 ? ARG A 184 ILE A 188 E 2 LYS A 195 ? GLU A 201 ? LYS A 226 GLU A 232 E 3 ILE A 209 ? THR A 214 ? ILE A 240 THR A 245 # 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 ARG A 6 ? N ARG A 37 O HIS A 24 ? O HIS A 55 B 1 2 N VAL A 11 ? N VAL A 42 O TRP A 115 ? O TRP A 146 B 2 3 O LEU A 116 ? O LEU A 147 N GLY A 96 ? N GLY A 127 B 3 4 O THR A 99 ? O THR A 130 N GLN A 39 ? N GLN A 70 B 4 5 N TRP A 38 ? N TRP A 69 O VAL A 46 ? O VAL A 77 B 5 6 N ALA A 48 ? N ALA A 79 O ASP A 56 ? O ASP A 87 C 1 2 N LEU A 21 ? N LEU A 52 O LEU A 85 ? O LEU A 116 C 2 3 O ALA A 86 ? O ALA A 117 N SER A 68 ? N SER A 99 D 1 2 N GLU A 123 ? N GLU A 154 O THR A 146 ? O THR A 177 D 2 3 N ALA A 141 ? N ALA A 172 O TYR A 183 ? O TYR A 214 D 3 4 O THR A 178 ? O THR A 209 N GLU A 169 ? N GLU A 200 E 1 2 N THR A 155 ? N THR A 186 O ARG A 199 ? O ARG A 230 E 2 3 N VAL A 200 ? N VAL A 231 O ILE A 209 ? O ILE A 240 # 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 ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 301' AC2 Software ? ? ? ? 2 'BINDING SITE FOR RESIDUE NAG A 302' AC3 Software ? ? ? ? 3 'BINDING SITE FOR RESIDUE FUC A 303' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE SO4 A 304' # 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 5 ASN A 97 ? ASN A 128 . ? 1_555 ? 2 AC1 5 SER A 159 ? SER A 190 . ? 5_555 ? 3 AC1 5 GLY A 161 ? GLY A 192 . ? 5_555 ? 4 AC1 5 NAG C . ? NAG A 302 . ? 1_555 ? 5 AC1 5 FUC D . ? FUC A 303 . ? 1_555 ? 6 AC2 2 NAG B . ? NAG A 301 . ? 1_555 ? 7 AC2 2 FUC D . ? FUC A 303 . ? 1_555 ? 8 AC3 3 LEU A 41 ? LEU A 72 . ? 1_555 ? 9 AC3 3 NAG B . ? NAG A 301 . ? 1_555 ? 10 AC3 3 NAG C . ? NAG A 302 . ? 1_555 ? 11 AC4 6 HIS A 24 ? HIS A 55 . ? 8_445 ? 12 AC4 6 ARG A 81 ? ARG A 112 . ? 8_445 ? 13 AC4 6 HIS A 125 ? HIS A 156 . ? 1_555 ? 14 AC4 6 GLU A 127 ? GLU A 158 . ? 1_555 ? 15 AC4 6 ARG A 142 ? ARG A 173 . ? 1_555 ? 16 AC4 6 VAL A 144 ? VAL A 175 . ? 1_555 ? # _database_PDB_matrix.entry_id 4FS0 _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 4FS0 _atom_sites.fract_transf_matrix[1][1] 0.016706 _atom_sites.fract_transf_matrix[1][2] 0.009645 _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] 0.019291 _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] 0.004762 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C N O S # 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 . ASP A 1 2 ? 30.203 -19.245 21.118 1.00 71.71 ? 33 ASP A N 1 ATOM 2 C CA . ASP A 1 2 ? 31.156 -19.804 22.122 1.00 73.67 ? 33 ASP A CA 1 ATOM 3 C C . ASP A 1 2 ? 32.526 -20.150 21.519 1.00 74.09 ? 33 ASP A C 1 ATOM 4 O O . ASP A 1 2 ? 32.682 -20.215 20.302 1.00 72.10 ? 33 ASP A O 1 ATOM 5 C CB . ASP A 1 2 ? 30.570 -21.072 22.768 1.00 70.90 ? 33 ASP A CB 1 ATOM 6 C CG . ASP A 1 2 ? 29.928 -20.807 24.135 1.00 73.74 ? 33 ASP A CG 1 ATOM 7 O OD1 . ASP A 1 2 ? 30.528 -21.209 25.163 1.00 76.38 ? 33 ASP A OD1 1 ATOM 8 O OD2 . ASP A 1 2 ? 28.829 -20.209 24.180 1.00 73.33 ? 33 ASP A OD2 1 ATOM 9 N N . VAL A 1 3 ? 33.495 -20.400 22.402 1.00 77.10 ? 34 VAL A N 1 ATOM 10 C CA . VAL A 1 3 ? 34.866 -20.801 22.011 1.00 78.24 ? 34 VAL A CA 1 ATOM 11 C C . VAL A 1 3 ? 34.970 -22.302 22.067 1.00 74.93 ? 34 VAL A C 1 ATOM 12 O O . VAL A 1 3 ? 35.648 -22.911 21.241 1.00 74.25 ? 34 VAL A O 1 ATOM 13 C CB . VAL A 1 3 ? 35.967 -20.292 22.979 1.00 84.47 ? 34 VAL A CB 1 ATOM 14 C CG1 . VAL A 1 3 ? 37.352 -20.561 22.402 1.00 86.69 ? 34 VAL A CG1 1 ATOM 15 C CG2 . VAL A 1 3 ? 35.798 -18.819 23.294 1.00 88.91 ? 34 VAL A CG2 1 ATOM 16 N N . ARG A 1 4 ? 34.324 -22.882 23.084 1.00 73.62 ? 35 ARG A N 1 ATOM 17 C CA . ARG A 1 4 ? 34.399 -24.310 23.342 1.00 71.12 ? 35 ARG A CA 1 ATOM 18 C C . ARG A 1 4 ? 33.675 -25.143 22.267 1.00 65.72 ? 35 ARG A C 1 ATOM 19 O O . ARG A 1 4 ? 34.026 -26.293 22.058 1.00 65.07 ? 35 ARG A O 1 ATOM 20 C CB . ARG A 1 4 ? 33.962 -24.643 24.798 1.00 72.59 ? 35 ARG A CB 1 ATOM 21 C CG . ARG A 1 4 ? 35.163 -25.013 25.629 1.00 76.53 ? 35 ARG A CG 1 ATOM 22 C CD . ARG A 1 4 ? 34.984 -25.196 27.119 1.00 79.38 ? 35 ARG A CD 1 ATOM 23 N NE . ARG A 1 4 ? 35.310 -23.980 27.873 1.00 84.16 ? 35 ARG A NE 1 ATOM 24 C CZ . ARG A 1 4 ? 36.543 -23.601 28.260 1.00 88.49 ? 35 ARG A CZ 1 ATOM 25 N NH1 . ARG A 1 4 ? 37.626 -24.318 27.964 1.00 89.30 ? 35 ARG A NH1 1 ATOM 26 N NH2 . ARG A 1 4 ? 36.697 -22.477 28.949 1.00 92.83 ? 35 ARG A NH2 1 ATOM 27 N N . VAL A 1 5 ? 32.719 -24.552 21.552 1.00 62.59 ? 36 VAL A N 1 ATOM 28 C CA . VAL A 1 5 ? 32.028 -25.257 20.456 1.00 57.93 ? 36 VAL A CA 1 ATOM 29 C C . VAL A 1 5 ? 32.439 -24.765 19.060 1.00 57.11 ? 36 VAL A C 1 ATOM 30 O O . VAL A 1 5 ? 32.353 -23.579 18.777 1.00 58.37 ? 36 VAL A O 1 ATOM 31 C CB . VAL A 1 5 ? 30.505 -25.128 20.596 1.00 55.47 ? 36 VAL A CB 1 ATOM 32 C CG1 . VAL A 1 5 ? 29.808 -25.744 19.401 1.00 51.64 ? 36 VAL A CG1 1 ATOM 33 C CG2 . VAL A 1 5 ? 30.035 -25.778 21.888 1.00 56.72 ? 36 VAL A CG2 1 ATOM 34 N N . ARG A 1 6 ? 32.853 -25.696 18.196 1.00 55.80 ? 37 ARG A N 1 ATOM 35 C CA . ARG A 1 6 ? 33.317 -25.413 16.807 1.00 55.33 ? 37 ARG A CA 1 ATOM 36 C C . ARG A 1 6 ? 32.275 -25.755 15.717 1.00 51.23 ? 37 ARG A C 1 ATOM 37 O O . ARG A 1 6 ? 31.962 -26.923 15.489 1.00 49.42 ? 37 ARG A O 1 ATOM 38 C CB . ARG A 1 6 ? 34.612 -26.206 16.549 1.00 58.04 ? 37 ARG A CB 1 ATOM 39 C CG . ARG A 1 6 ? 35.051 -26.378 15.093 1.00 58.31 ? 37 ARG A CG 1 ATOM 40 C CD . ARG A 1 6 ? 35.672 -25.120 14.548 1.00 61.44 ? 37 ARG A CD 1 ATOM 41 N NE . ARG A 1 6 ? 36.993 -24.885 15.128 1.00 66.76 ? 37 ARG A NE 1 ATOM 42 C CZ . ARG A 1 6 ? 37.319 -23.881 15.959 1.00 70.12 ? 37 ARG A CZ 1 ATOM 43 N NH1 . ARG A 1 6 ? 36.429 -22.963 16.343 1.00 69.13 ? 37 ARG A NH1 1 ATOM 44 N NH2 . ARG A 1 6 ? 38.565 -23.783 16.406 1.00 75.04 ? 37 ARG A NH2 1 ATOM 45 N N . VAL A 1 7 ? 31.771 -24.730 15.028 1.00 50.54 ? 38 VAL A N 1 ATOM 46 C CA . VAL A 1 7 ? 30.819 -24.900 13.883 1.00 47.32 ? 38 VAL A CA 1 ATOM 47 C C . VAL A 1 7 ? 31.150 -23.996 12.674 1.00 48.15 ? 38 VAL A C 1 ATOM 48 O O . VAL A 1 7 ? 32.001 -23.120 12.763 1.00 51.43 ? 38 VAL A O 1 ATOM 49 C CB . VAL A 1 7 ? 29.349 -24.623 14.302 1.00 44.47 ? 38 VAL A CB 1 ATOM 50 C CG1 . VAL A 1 7 ? 28.854 -25.663 15.296 1.00 43.34 ? 38 VAL A CG1 1 ATOM 51 C CG2 . VAL A 1 7 ? 29.219 -23.226 14.869 1.00 46.44 ? 38 VAL A CG2 1 ATOM 52 N N . LEU A 1 8 ? 30.486 -24.226 11.539 1.00 46.14 ? 39 LEU A N 1 ATOM 53 C CA . LEU A 1 8 ? 30.587 -23.297 10.387 1.00 47.18 ? 39 LEU A CA 1 ATOM 54 C C . LEU A 1 8 ? 29.511 -22.243 10.540 1.00 46.33 ? 39 LEU A C 1 ATOM 55 O O . LEU A 1 8 ? 28.364 -22.565 10.856 1.00 44.09 ? 39 LEU A O 1 ATOM 56 C CB . LEU A 1 8 ? 30.442 -24.012 9.037 1.00 45.75 ? 39 LEU A CB 1 ATOM 57 C CG . LEU A 1 8 ? 31.529 -25.056 8.733 1.00 47.50 ? 39 LEU A CG 1 ATOM 58 C CD1 . LEU A 1 8 ? 31.262 -25.738 7.407 1.00 46.80 ? 39 LEU A CD1 1 ATOM 59 C CD2 . LEU A 1 8 ? 32.925 -24.452 8.761 1.00 51.86 ? 39 LEU A CD2 1 ATOM 60 N N . PRO A 1 9 ? 29.869 -20.977 10.333 1.00 49.14 ? 40 PRO A N 1 ATOM 61 C CA . PRO A 1 9 ? 28.917 -19.916 10.602 1.00 49.50 ? 40 PRO A CA 1 ATOM 62 C C . PRO A 1 9 ? 27.779 -19.941 9.613 1.00 47.07 ? 40 PRO A C 1 ATOM 63 O O . PRO A 1 9 ? 26.651 -19.626 9.970 1.00 45.73 ? 40 PRO A O 1 ATOM 64 C CB . PRO A 1 9 ? 29.744 -18.644 10.462 1.00 54.47 ? 40 PRO A CB 1 ATOM 65 C CG . PRO A 1 9 ? 30.903 -19.012 9.626 1.00 56.38 ? 40 PRO A CG 1 ATOM 66 C CD . PRO A 1 9 ? 31.123 -20.483 9.756 1.00 53.47 ? 40 PRO A CD 1 ATOM 67 N N . GLU A 1 10 ? 28.082 -20.339 8.379 1.00 47.32 ? 41 GLU A N 1 ATOM 68 C CA . GLU A 1 10 ? 27.058 -20.540 7.344 1.00 45.06 ? 41 GLU A CA 1 ATOM 69 C C . GLU A 1 10 ? 27.282 -21.868 6.568 1.00 43.22 ? 41 GLU A C 1 ATOM 70 O O . GLU A 1 10 ? 28.412 -22.291 6.349 1.00 44.74 ? 41 GLU A O 1 ATOM 71 C CB . GLU A 1 10 ? 27.027 -19.323 6.394 1.00 47.51 ? 41 GLU A CB 1 ATOM 72 C CG . GLU A 1 10 ? 26.169 -19.529 5.147 1.00 46.07 ? 41 GLU A CG 1 ATOM 73 C CD . GLU A 1 10 ? 26.723 -18.876 3.893 1.00 49.39 ? 41 GLU A CD 1 ATOM 74 O OE1 . GLU A 1 10 ? 26.962 -17.659 3.910 1.00 53.82 ? 41 GLU A OE1 1 ATOM 75 O OE2 . GLU A 1 10 ? 26.907 -19.580 2.881 1.00 48.64 ? 41 GLU A OE2 1 ATOM 76 N N . VAL A 1 11 ? 26.186 -22.514 6.177 1.00 40.58 ? 42 VAL A N 1 ATOM 77 C CA . VAL A 1 11 ? 26.233 -23.702 5.311 1.00 40.00 ? 42 VAL A CA 1 ATOM 78 C C . VAL A 1 11 ? 25.209 -23.593 4.162 1.00 38.88 ? 42 VAL A C 1 ATOM 79 O O . VAL A 1 11 ? 24.119 -23.039 4.342 1.00 37.26 ? 42 VAL A O 1 ATOM 80 C CB . VAL A 1 11 ? 26.021 -24.991 6.149 1.00 38.51 ? 42 VAL A CB 1 ATOM 81 C CG1 . VAL A 1 11 ? 25.512 -26.150 5.291 1.00 37.76 ? 42 VAL A CG1 1 ATOM 82 C CG2 . VAL A 1 11 ? 27.322 -25.350 6.871 1.00 39.92 ? 42 VAL A CG2 1 ATOM 83 N N . ARG A 1 12 ? 25.591 -24.115 2.989 1.00 40.11 ? 43 ARG A N 1 ATOM 84 C CA . ARG A 1 12 ? 24.782 -24.038 1.755 1.00 40.08 ? 43 ARG A CA 1 ATOM 85 C C . ARG A 1 12 ? 24.565 -25.392 1.096 1.00 39.79 ? 43 ARG A C 1 ATOM 86 O O . ARG A 1 12 ? 25.524 -26.152 0.851 1.00 41.81 ? 43 ARG A O 1 ATOM 87 C CB . ARG A 1 12 ? 25.454 -23.157 0.691 1.00 43.45 ? 43 ARG A CB 1 ATOM 88 C CG . ARG A 1 12 ? 25.367 -21.666 0.931 1.00 44.64 ? 43 ARG A CG 1 ATOM 89 C CD . ARG A 1 12 ? 25.519 -20.860 -0.358 1.00 47.77 ? 43 ARG A CD 1 ATOM 90 N NE . ARG A 1 12 ? 26.892 -20.506 -0.727 1.00 52.06 ? 43 ARG A NE 1 ATOM 91 C CZ . ARG A 1 12 ? 27.535 -20.942 -1.818 1.00 55.19 ? 43 ARG A CZ 1 ATOM 92 N NH1 . ARG A 1 12 ? 26.955 -21.784 -2.675 1.00 54.33 ? 43 ARG A NH1 1 ATOM 93 N NH2 . ARG A 1 12 ? 28.780 -20.534 -2.063 1.00 59.76 ? 43 ARG A NH2 1 ATOM 94 N N . GLY A 1 13 ? 23.315 -25.650 0.737 1.00 37.81 ? 44 GLY A N 1 ATOM 95 C CA . GLY A 1 13 ? 22.943 -26.898 0.097 1.00 38.19 ? 44 GLY A CA 1 ATOM 96 C C . GLY A 1 13 ? 21.896 -26.654 -0.952 1.00 37.99 ? 44 GLY A C 1 ATOM 97 O O . GLY A 1 13 ? 20.994 -25.857 -0.745 1.00 36.62 ? 44 GLY A O 1 ATOM 98 N N . ARG A 1 14 ? 22.043 -27.328 -2.086 1.00 40.01 ? 45 ARG A N 1 ATOM 99 C CA . ARG A 1 14 ? 21.064 -27.275 -3.164 1.00 40.81 ? 45 ARG A CA 1 ATOM 100 C C . ARG A 1 14 ? 19.731 -27.824 -2.689 1.00 38.75 ? 45 ARG A C 1 ATOM 101 O O . ARG A 1 14 ? 19.686 -28.820 -1.965 1.00 38.14 ? 45 ARG A O 1 ATOM 102 C CB . ARG A 1 14 ? 21.535 -28.065 -4.407 1.00 44.90 ? 45 ARG A CB 1 ATOM 103 C CG . ARG A 1 14 ? 22.167 -29.395 -4.068 1.00 46.75 ? 45 ARG A CG 1 ATOM 104 C CD . ARG A 1 14 ? 22.609 -30.239 -5.250 1.00 51.50 ? 45 ARG A CD 1 ATOM 105 N NE . ARG A 1 14 ? 23.084 -31.518 -4.686 1.00 53.91 ? 45 ARG A NE 1 ATOM 106 C CZ . ARG A 1 14 ? 24.335 -31.780 -4.256 1.00 55.24 ? 45 ARG A CZ 1 ATOM 107 N NH1 . ARG A 1 14 ? 25.337 -30.887 -4.370 1.00 55.56 ? 45 ARG A NH1 1 ATOM 108 N NH2 . ARG A 1 14 ? 24.590 -32.977 -3.734 1.00 56.69 ? 45 ARG A NH2 1 ATOM 109 N N . LEU A 1 15 ? 18.655 -27.153 -3.096 1.00 38.10 ? 46 LEU A N 1 ATOM 110 C CA . LEU A 1 15 ? 17.300 -27.611 -2.822 1.00 37.50 ? 46 LEU A CA 1 ATOM 111 C C . LEU A 1 15 ? 17.167 -29.024 -3.331 1.00 39.71 ? 46 LEU A C 1 ATOM 112 O O . LEU A 1 15 ? 17.463 -29.294 -4.485 1.00 41.69 ? 46 LEU A O 1 ATOM 113 C CB . LEU A 1 15 ? 16.267 -26.694 -3.490 1.00 37.66 ? 46 LEU A CB 1 ATOM 114 C CG . LEU A 1 15 ? 14.800 -27.126 -3.467 1.00 38.02 ? 46 LEU A CG 1 ATOM 115 C CD1 . LEU A 1 15 ? 14.318 -27.419 -2.054 1.00 36.99 ? 46 LEU A CD1 1 ATOM 116 C CD2 . LEU A 1 15 ? 13.955 -26.048 -4.122 1.00 38.32 ? 46 LEU A CD2 1 ATOM 117 N N . GLY A 1 16 ? 16.744 -29.924 -2.450 1.00 39.93 ? 47 GLY A N 1 ATOM 118 C CA . GLY A 1 16 ? 16.673 -31.353 -2.761 1.00 43.09 ? 47 GLY A CA 1 ATOM 119 C C . GLY A 1 16 ? 17.965 -32.123 -2.524 1.00 44.27 ? 47 GLY A C 1 ATOM 120 O O . GLY A 1 16 ? 18.005 -33.338 -2.715 1.00 46.67 ? 47 GLY A O 1 ATOM 121 N N . GLY A 1 17 ? 19.012 -31.416 -2.090 1.00 42.63 ? 48 GLY A N 1 ATOM 122 C CA . GLY A 1 17 ? 20.346 -31.992 -1.963 1.00 44.25 ? 48 GLY A CA 1 ATOM 123 C C . GLY A 1 17 ? 20.653 -32.264 -0.521 1.00 42.82 ? 48 GLY A C 1 ATOM 124 O O . GLY A 1 17 ? 19.756 -32.315 0.310 1.00 41.52 ? 48 GLY A O 1 ATOM 125 N N . THR A 1 18 ? 21.933 -32.418 -0.213 1.00 44.00 ? 49 THR A N 1 ATOM 126 C CA . THR A 1 18 ? 22.342 -32.779 1.161 1.00 43.21 ? 49 THR A CA 1 ATOM 127 C C . THR A 1 18 ? 23.409 -31.835 1.771 1.00 41.79 ? 49 THR A C 1 ATOM 128 O O . THR A 1 18 ? 24.238 -31.290 1.051 1.00 42.79 ? 49 THR A O 1 ATOM 129 C CB . THR A 1 18 ? 22.858 -34.228 1.205 1.00 46.27 ? 49 THR A CB 1 ATOM 130 O OG1 . THR A 1 18 ? 24.042 -34.324 0.425 1.00 48.66 ? 49 THR A OG1 1 ATOM 131 C CG2 . THR A 1 18 ? 21.837 -35.173 0.645 1.00 48.56 ? 49 THR A CG2 1 ATOM 132 N N . VAL A 1 19 ? 23.358 -31.643 3.096 1.00 40.08 ? 50 VAL A N 1 ATOM 133 C CA . VAL A 1 19 ? 24.369 -30.846 3.823 1.00 39.36 ? 50 VAL A CA 1 ATOM 134 C C . VAL A 1 19 ? 24.829 -31.466 5.120 1.00 39.30 ? 50 VAL A C 1 ATOM 135 O O . VAL A 1 19 ? 24.091 -32.186 5.760 1.00 38.66 ? 50 VAL A O 1 ATOM 136 C CB . VAL A 1 19 ? 23.883 -29.417 4.189 1.00 36.94 ? 50 VAL A CB 1 ATOM 137 C CG1 . VAL A 1 19 ? 24.039 -28.463 3.008 1.00 37.20 ? 50 VAL A CG1 1 ATOM 138 C CG2 . VAL A 1 19 ? 22.455 -29.442 4.697 1.00 35.12 ? 50 VAL A CG2 1 ATOM 139 N N . GLU A 1 20 ? 26.066 -31.131 5.493 1.00 40.59 ? 51 GLU A N 1 ATOM 140 C CA . GLU A 1 20 ? 26.631 -31.467 6.799 1.00 41.12 ? 51 GLU A CA 1 ATOM 141 C C . GLU A 1 20 ? 26.781 -30.198 7.623 1.00 39.46 ? 51 GLU A C 1 ATOM 142 O O . GLU A 1 20 ? 27.356 -29.207 7.170 1.00 39.87 ? 51 GLU A O 1 ATOM 143 C CB . GLU A 1 20 ? 28.004 -32.132 6.692 1.00 44.35 ? 51 GLU A CB 1 ATOM 144 C CG . GLU A 1 20 ? 28.025 -33.411 5.873 1.00 47.69 ? 51 GLU A CG 1 ATOM 145 C CD . GLU A 1 20 ? 29.332 -34.203 6.051 1.00 52.38 ? 51 GLU A CD 1 ATOM 146 O OE1 . GLU A 1 20 ? 30.030 -33.964 7.069 1.00 52.98 ? 51 GLU A OE1 1 ATOM 147 O OE2 . GLU A 1 20 ? 29.665 -35.071 5.188 1.00 55.88 ? 51 GLU A OE2 1 ATOM 148 N N . LEU A 1 21 ? 26.262 -30.251 8.840 1.00 38.14 ? 52 LEU A N 1 ATOM 149 C CA . LEU A 1 21 ? 26.431 -29.202 9.803 1.00 37.38 ? 52 LEU A CA 1 ATOM 150 C C . LEU A 1 21 ? 27.463 -29.707 10.816 1.00 39.50 ? 52 LEU A C 1 ATOM 151 O O . LEU A 1 21 ? 27.146 -30.567 11.641 1.00 39.97 ? 52 LEU A O 1 ATOM 152 C CB . LEU A 1 21 ? 25.100 -28.905 10.479 1.00 35.94 ? 52 LEU A CB 1 ATOM 153 C CG . LEU A 1 21 ? 24.149 -28.010 9.674 1.00 34.62 ? 52 LEU A CG 1 ATOM 154 C CD1 . LEU A 1 21 ? 23.715 -28.699 8.394 1.00 34.39 ? 52 LEU A CD1 1 ATOM 155 C CD2 . LEU A 1 21 ? 22.945 -27.563 10.518 1.00 33.64 ? 52 LEU A CD2 1 ATOM 156 N N . PRO A 1 22 ? 28.711 -29.201 10.741 1.00 41.09 ? 53 PRO A N 1 ATOM 157 C CA . PRO A 1 22 ? 29.753 -29.666 11.646 1.00 43.20 ? 53 PRO A CA 1 ATOM 158 C C . PRO A 1 22 ? 29.533 -29.129 13.041 1.00 42.94 ? 53 PRO A C 1 ATOM 159 O O . PRO A 1 22 ? 28.901 -28.084 13.191 1.00 41.63 ? 53 PRO A O 1 ATOM 160 C CB . PRO A 1 22 ? 31.033 -29.050 11.062 1.00 45.50 ? 53 PRO A CB 1 ATOM 161 C CG . PRO A 1 22 ? 30.674 -28.589 9.714 1.00 44.58 ? 53 PRO A CG 1 ATOM 162 C CD . PRO A 1 22 ? 29.238 -28.204 9.805 1.00 41.60 ? 53 PRO A CD 1 ATOM 163 N N . CYS A 1 23 ? 30.056 -29.832 14.045 1.00 44.81 ? 54 CYS A N 1 ATOM 164 C CA . CYS A 1 23 ? 29.967 -29.390 15.437 1.00 45.43 ? 54 CYS A CA 1 ATOM 165 C C . CYS A 1 23 ? 30.817 -30.236 16.339 1.00 47.62 ? 54 CYS A C 1 ATOM 166 O O . CYS A 1 23 ? 30.662 -31.456 16.354 1.00 47.84 ? 54 CYS A O 1 ATOM 167 C CB . CYS A 1 23 ? 28.542 -29.476 15.955 1.00 44.17 ? 54 CYS A CB 1 ATOM 168 S SG . CYS A 1 23 ? 28.382 -28.722 17.580 1.00 45.35 ? 54 CYS A SG 1 ATOM 169 N N . HIS A 1 24 ? 31.682 -29.579 17.105 1.00 49.60 ? 55 HIS A N 1 ATOM 170 C CA . HIS A 1 24 ? 32.598 -30.259 17.996 1.00 52.58 ? 55 HIS A CA 1 ATOM 171 C C . HIS A 1 24 ? 32.959 -29.432 19.206 1.00 54.55 ? 55 HIS A C 1 ATOM 172 O O . HIS A 1 24 ? 32.961 -28.205 19.150 1.00 54.39 ? 55 HIS A O 1 ATOM 173 C CB . HIS A 1 24 ? 33.857 -30.685 17.231 1.00 54.71 ? 55 HIS A CB 1 ATOM 174 C CG . HIS A 1 24 ? 34.676 -31.725 17.942 1.00 58.33 ? 55 HIS A CG 1 ATOM 175 N ND1 . HIS A 1 24 ? 34.866 -32.951 17.447 1.00 59.56 ? 55 HIS A ND1 1 ATOM 176 C CD2 . HIS A 1 24 ? 35.348 -31.692 19.176 1.00 61.53 ? 55 HIS A CD2 1 ATOM 177 C CE1 . HIS A 1 24 ? 35.619 -33.673 18.314 1.00 63.13 ? 55 HIS A CE1 1 ATOM 178 N NE2 . HIS A 1 24 ? 35.909 -32.898 19.365 1.00 64.01 ? 55 HIS A NE2 1 ATOM 179 N N . LEU A 1 25 ? 33.276 -30.116 20.309 1.00 56.92 ? 56 LEU A N 1 ATOM 180 C CA . LEU A 1 25 ? 33.636 -29.468 21.572 1.00 59.65 ? 56 LEU A CA 1 ATOM 181 C C . LEU A 1 25 ? 35.150 -29.335 21.699 1.00 63.85 ? 56 LEU A C 1 ATOM 182 O O . LEU A 1 25 ? 35.846 -30.244 22.177 1.00 66.01 ? 56 LEU A O 1 ATOM 183 C CB . LEU A 1 25 ? 33.095 -30.232 22.766 1.00 60.84 ? 56 LEU A CB 1 ATOM 184 C CG . LEU A 1 25 ? 32.558 -29.411 23.957 1.00 61.99 ? 56 LEU A CG 1 ATOM 185 C CD1 . LEU A 1 25 ? 31.973 -28.074 23.528 1.00 60.56 ? 56 LEU A CD1 1 ATOM 186 C CD2 . LEU A 1 25 ? 31.540 -30.219 24.748 1.00 61.89 ? 56 LEU A CD2 1 ATOM 187 N N . LEU A 1 26 ? 35.633 -28.183 21.246 1.00 65.53 ? 57 LEU A N 1 ATOM 188 C CA . LEU A 1 26 ? 37.057 -27.879 21.101 1.00 70.00 ? 57 LEU A CA 1 ATOM 189 C C . LEU A 1 26 ? 37.960 -28.364 22.223 1.00 74.72 ? 57 LEU A C 1 ATOM 190 O O . LEU A 1 26 ? 38.881 -29.134 21.960 1.00 77.41 ? 57 LEU A O 1 ATOM 191 C CB . LEU A 1 26 ? 37.265 -26.366 20.928 1.00 71.79 ? 57 LEU A CB 1 ATOM 192 C CG . LEU A 1 26 ? 37.772 -25.821 19.590 1.00 72.33 ? 57 LEU A CG 1 ATOM 193 C CD1 . LEU A 1 26 ? 39.148 -25.168 19.772 1.00 77.91 ? 57 LEU A CD1 1 ATOM 194 C CD2 . LEU A 1 26 ? 37.788 -26.907 18.522 1.00 70.14 ? 57 LEU A CD2 1 ATOM 195 N N . PRO A 1 27 ? 37.734 -27.866 23.458 1.00 76.33 ? 58 PRO A N 1 ATOM 196 C CA . PRO A 1 27 ? 38.600 -28.081 24.615 1.00 80.76 ? 58 PRO A CA 1 ATOM 197 C C . PRO A 1 27 ? 38.518 -29.520 25.044 1.00 80.76 ? 58 PRO A C 1 ATOM 198 O O . PRO A 1 27 ? 37.557 -29.904 25.733 1.00 79.64 ? 58 PRO A O 1 ATOM 199 C CB . PRO A 1 27 ? 38.004 -27.138 25.680 1.00 81.84 ? 58 PRO A CB 1 ATOM 200 C CG . PRO A 1 27 ? 36.655 -26.863 25.206 1.00 77.19 ? 58 PRO A CG 1 ATOM 201 C CD . PRO A 1 27 ? 36.758 -26.812 23.740 1.00 74.60 ? 58 PRO A CD 1 ATOM 202 N N . PRO A 1 28 ? 39.491 -30.334 24.612 1.00 82.57 ? 59 PRO A N 1 ATOM 203 C CA . PRO A 1 28 ? 39.443 -31.756 24.913 1.00 83.13 ? 59 PRO A CA 1 ATOM 204 C C . PRO A 1 28 ? 39.706 -32.019 26.405 1.00 86.86 ? 59 PRO A C 1 ATOM 205 O O . PRO A 1 28 ? 40.760 -32.526 26.796 1.00 90.55 ? 59 PRO A O 1 ATOM 206 C CB . PRO A 1 28 ? 40.536 -32.333 24.021 1.00 85.45 ? 59 PRO A CB 1 ATOM 207 C CG . PRO A 1 28 ? 41.520 -31.221 23.897 1.00 88.41 ? 59 PRO A CG 1 ATOM 208 C CD . PRO A 1 28 ? 40.691 -29.974 23.840 1.00 85.19 ? 59 PRO A CD 1 ATOM 209 N N . THR A 1 29 ? 38.716 -31.633 27.207 1.00 86.01 ? 60 THR A N 1 ATOM 210 C CA . THR A 1 29 ? 38.699 -31.800 28.655 1.00 89.53 ? 60 THR A CA 1 ATOM 211 C C . THR A 1 29 ? 38.368 -33.251 29.058 1.00 90.53 ? 60 THR A C 1 ATOM 212 O O . THR A 1 29 ? 38.342 -34.163 28.219 1.00 88.84 ? 60 THR A O 1 ATOM 213 C CB . THR A 1 29 ? 37.664 -30.822 29.300 1.00 88.40 ? 60 THR A CB 1 ATOM 214 O OG1 . THR A 1 29 ? 36.480 -30.737 28.477 1.00 83.25 ? 60 THR A OG1 1 ATOM 215 C CG2 . THR A 1 29 ? 38.271 -29.428 29.488 1.00 90.31 ? 60 THR A CG2 1 ATOM 216 N N . THR A 1 30 ? 38.148 -33.440 30.360 1.00 93.89 ? 61 THR A N 1 ATOM 217 C CA . THR A 1 30 ? 37.743 -34.716 30.948 1.00 95.86 ? 61 THR A CA 1 ATOM 218 C C . THR A 1 30 ? 36.262 -34.756 31.383 1.00 94.10 ? 61 THR A C 1 ATOM 219 O O . THR A 1 30 ? 35.808 -35.749 31.944 1.00 96.21 ? 61 THR A O 1 ATOM 220 C CB . THR A 1 30 ? 38.609 -35.013 32.193 1.00 101.80 ? 61 THR A CB 1 ATOM 221 O OG1 . THR A 1 30 ? 38.641 -36.418 32.433 1.00 104.98 ? 61 THR A OG1 1 ATOM 222 C CG2 . THR A 1 30 ? 38.071 -34.292 33.444 1.00 103.35 ? 61 THR A CG2 1 ATOM 223 N N . GLU A 1 31 ? 35.520 -33.680 31.125 1.00 91.02 ? 62 GLU A N 1 ATOM 224 C CA . GLU A 1 31 ? 34.126 -33.537 31.618 1.00 90.35 ? 62 GLU A CA 1 ATOM 225 C C . GLU A 1 31 ? 33.121 -34.136 30.675 1.00 86.49 ? 62 GLU A C 1 ATOM 226 O O . GLU A 1 31 ? 33.122 -33.846 29.473 1.00 82.80 ? 62 GLU A O 1 ATOM 227 C CB . GLU A 1 31 ? 33.731 -32.067 31.833 1.00 89.60 ? 62 GLU A CB 1 ATOM 228 C CG . GLU A 1 31 ? 34.498 -31.070 30.953 1.00 87.83 ? 62 GLU A CG 1 ATOM 229 C CD . GLU A 1 31 ? 34.706 -29.703 31.594 1.00 90.15 ? 62 GLU A CD 1 ATOM 230 O OE1 . GLU A 1 31 ? 33.721 -28.930 31.657 1.00 89.07 ? 62 GLU A OE1 1 ATOM 231 O OE2 . GLU A 1 31 ? 35.860 -29.397 32.010 1.00 92.97 ? 62 GLU A OE2 1 ATOM 232 N N . ARG A 1 32 ? 32.238 -34.930 31.259 1.00 87.72 ? 63 ARG A N 1 ATOM 233 C CA . ARG A 1 32 ? 31.190 -35.640 30.549 1.00 85.39 ? 63 ARG A CA 1 ATOM 234 C C . ARG A 1 32 ? 30.168 -34.752 29.836 1.00 80.68 ? 63 ARG A C 1 ATOM 235 O O . ARG A 1 32 ? 29.789 -33.693 30.330 1.00 81.01 ? 63 ARG A O 1 ATOM 236 C CB . ARG A 1 32 ? 30.460 -36.567 31.516 1.00 89.66 ? 63 ARG A CB 1 ATOM 237 C CG . ARG A 1 32 ? 31.237 -36.835 32.789 1.00 95.13 ? 63 ARG A CG 1 ATOM 238 C CD . ARG A 1 32 ? 32.431 -37.732 32.514 1.00 96.88 ? 63 ARG A CD 1 ATOM 239 N NE . ARG A 1 32 ? 32.017 -38.994 31.898 1.00 97.36 ? 63 ARG A NE 1 ATOM 240 C CZ . ARG A 1 32 ? 32.844 -39.917 31.408 1.00 98.81 ? 63 ARG A CZ 1 ATOM 241 N NH1 . ARG A 1 32 ? 34.161 -39.740 31.448 1.00 100.01 ? 63 ARG A NH1 1 ATOM 242 N NH2 . ARG A 1 32 ? 32.349 -41.030 30.873 1.00 99.86 ? 63 ARG A NH2 1 ATOM 243 N N . VAL A 1 33 ? 29.727 -35.219 28.672 1.00 77.13 ? 64 VAL A N 1 ATOM 244 C CA . VAL A 1 33 ? 28.674 -34.574 27.922 1.00 73.17 ? 64 VAL A CA 1 ATOM 245 C C . VAL A 1 33 ? 27.354 -35.155 28.420 1.00 75.25 ? 64 VAL A C 1 ATOM 246 O O . VAL A 1 33 ? 26.946 -36.244 28.035 1.00 75.89 ? 64 VAL A O 1 ATOM 247 C CB . VAL A 1 33 ? 28.810 -34.784 26.392 1.00 68.87 ? 64 VAL A CB 1 ATOM 248 C CG1 . VAL A 1 33 ? 27.947 -33.787 25.655 1.00 64.81 ? 64 VAL A CG1 1 ATOM 249 C CG2 . VAL A 1 33 ? 30.252 -34.630 25.944 1.00 68.33 ? 64 VAL A CG2 1 ATOM 250 N N . SER A 1 34 ? 26.717 -34.426 29.319 1.00 77.05 ? 65 SER A N 1 ATOM 251 C CA . SER A 1 34 ? 25.370 -34.729 29.758 1.00 79.47 ? 65 SER A CA 1 ATOM 252 C C . SER A 1 34 ? 24.471 -35.124 28.565 1.00 76.81 ? 65 SER A C 1 ATOM 253 O O . SER A 1 34 ? 23.809 -36.167 28.594 1.00 79.55 ? 65 SER A O 1 ATOM 254 C CB . SER A 1 34 ? 24.805 -33.513 30.487 1.00 80.56 ? 65 SER A CB 1 ATOM 255 O OG . SER A 1 34 ? 23.527 -33.765 30.995 1.00 84.25 ? 65 SER A OG 1 ATOM 256 N N . GLN A 1 35 ? 24.482 -34.293 27.518 1.00 72.26 ? 66 GLN A N 1 ATOM 257 C CA . GLN A 1 35 ? 23.723 -34.537 26.254 1.00 69.14 ? 66 GLN A CA 1 ATOM 258 C C . GLN A 1 35 ? 24.086 -33.544 25.128 1.00 63.65 ? 66 GLN A C 1 ATOM 259 O O . GLN A 1 35 ? 24.658 -32.478 25.389 1.00 62.66 ? 66 GLN A O 1 ATOM 260 C CB . GLN A 1 35 ? 22.201 -34.452 26.499 1.00 71.13 ? 66 GLN A CB 1 ATOM 261 C CG . GLN A 1 35 ? 21.635 -33.035 26.627 1.00 69.66 ? 66 GLN A CG 1 ATOM 262 C CD . GLN A 1 35 ? 20.129 -33.002 26.536 1.00 70.74 ? 66 GLN A CD 1 ATOM 263 O OE1 . GLN A 1 35 ? 19.560 -32.185 25.814 1.00 68.01 ? 66 GLN A OE1 1 ATOM 264 N NE2 . GLN A 1 35 ? 19.476 -33.900 27.255 1.00 75.44 ? 66 GLN A NE2 1 ATOM 265 N N . VAL A 1 36 ? 23.732 -33.886 23.887 1.00 60.55 ? 67 VAL A N 1 ATOM 266 C CA . VAL A 1 36 ? 23.853 -32.935 22.763 1.00 56.10 ? 67 VAL A CA 1 ATOM 267 C C . VAL A 1 36 ? 22.523 -32.761 22.075 1.00 54.46 ? 67 VAL A C 1 ATOM 268 O O . VAL A 1 36 ? 21.765 -33.718 21.950 1.00 56.37 ? 67 VAL A O 1 ATOM 269 C CB . VAL A 1 36 ? 24.848 -33.384 21.684 1.00 53.98 ? 67 VAL A CB 1 ATOM 270 C CG1 . VAL A 1 36 ? 25.209 -32.203 20.798 1.00 50.65 ? 67 VAL A CG1 1 ATOM 271 C CG2 . VAL A 1 36 ? 26.088 -33.990 22.305 1.00 56.15 ? 67 VAL A CG2 1 ATOM 272 N N . THR A 1 37 ? 22.249 -31.536 21.629 1.00 51.73 ? 68 THR A N 1 ATOM 273 C CA . THR A 1 37 ? 20.993 -31.210 20.955 1.00 50.60 ? 68 THR A CA 1 ATOM 274 C C . THR A 1 37 ? 21.166 -30.071 19.949 1.00 47.06 ? 68 THR A C 1 ATOM 275 O O . THR A 1 37 ? 21.990 -29.175 20.122 1.00 46.21 ? 68 THR A O 1 ATOM 276 C CB . THR A 1 37 ? 19.854 -30.818 21.945 1.00 53.55 ? 68 THR A CB 1 ATOM 277 O OG1 . THR A 1 37 ? 20.365 -29.956 22.973 1.00 55.39 ? 68 THR A OG1 1 ATOM 278 C CG2 . THR A 1 37 ? 19.246 -32.029 22.605 1.00 57.20 ? 68 THR A CG2 1 ATOM 279 N N . TRP A 1 38 ? 20.364 -30.141 18.893 1.00 45.36 ? 69 TRP A N 1 ATOM 280 C CA . TRP A 1 38 ? 20.343 -29.154 17.848 1.00 42.36 ? 69 TRP A CA 1 ATOM 281 C C . TRP A 1 38 ? 19.002 -28.568 17.887 1.00 42.73 ? 69 TRP A C 1 ATOM 282 O O . TRP A 1 38 ? 18.013 -29.286 17.848 1.00 44.05 ? 69 TRP A O 1 ATOM 283 C CB . TRP A 1 38 ? 20.523 -29.790 16.483 1.00 40.55 ? 69 TRP A CB 1 ATOM 284 C CG . TRP A 1 38 ? 21.933 -30.189 16.093 1.00 39.83 ? 69 TRP A CG 1 ATOM 285 C CD1 . TRP A 1 38 ? 22.535 -31.436 16.228 1.00 41.11 ? 69 TRP A CD1 1 ATOM 286 C CD2 . TRP A 1 38 ? 22.933 -29.367 15.416 1.00 38.38 ? 69 TRP A CD2 1 ATOM 287 N NE1 . TRP A 1 38 ? 23.809 -31.423 15.725 1.00 40.41 ? 69 TRP A NE1 1 ATOM 288 C CE2 . TRP A 1 38 ? 24.106 -30.225 15.217 1.00 38.89 ? 69 TRP A CE2 1 ATOM 289 C CE3 . TRP A 1 38 ? 22.981 -28.049 14.989 1.00 37.68 ? 69 TRP A CE3 1 ATOM 290 C CZ2 . TRP A 1 38 ? 25.259 -29.766 14.617 1.00 38.84 ? 69 TRP A CZ2 1 ATOM 291 C CZ3 . TRP A 1 38 ? 24.151 -27.592 14.374 1.00 37.74 ? 69 TRP A CZ3 1 ATOM 292 C CH2 . TRP A 1 38 ? 25.267 -28.437 14.197 1.00 38.33 ? 69 TRP A CH2 1 ATOM 293 N N . GLN A 1 39 ? 18.943 -27.256 17.969 1.00 42.72 ? 70 GLN A N 1 ATOM 294 C CA . GLN A 1 39 ? 17.680 -26.551 17.917 1.00 43.77 ? 70 GLN A CA 1 ATOM 295 C C . GLN A 1 39 ? 17.716 -25.522 16.827 1.00 41.88 ? 70 GLN A C 1 ATOM 296 O O . GLN A 1 39 ? 18.739 -24.916 16.569 1.00 40.84 ? 70 GLN A O 1 ATOM 297 C CB . GLN A 1 39 ? 17.424 -25.863 19.239 1.00 46.88 ? 70 GLN A CB 1 ATOM 298 C CG . GLN A 1 39 ? 15.999 -25.430 19.474 1.00 49.43 ? 70 GLN A CG 1 ATOM 299 C CD . GLN A 1 39 ? 15.737 -25.302 20.948 1.00 53.64 ? 70 GLN A CD 1 ATOM 300 O OE1 . GLN A 1 39 ? 16.650 -25.013 21.704 1.00 54.21 ? 70 GLN A OE1 1 ATOM 301 N NE2 . GLN A 1 39 ? 14.504 -25.535 21.370 1.00 56.95 ? 70 GLN A NE2 1 ATOM 302 N N . ARG A 1 40 ? 16.587 -25.331 16.174 1.00 42.37 ? 71 ARG A N 1 ATOM 303 C CA . ARG A 1 40 ? 16.423 -24.189 15.300 1.00 41.80 ? 71 ARG A CA 1 ATOM 304 C C . ARG A 1 40 ? 16.225 -23.040 16.215 1.00 44.58 ? 71 ARG A C 1 ATOM 305 O O . ARG A 1 40 ? 15.948 -23.251 17.371 1.00 47.72 ? 71 ARG A O 1 ATOM 306 C CB . ARG A 1 40 ? 15.189 -24.328 14.441 1.00 42.15 ? 71 ARG A CB 1 ATOM 307 C CG . ARG A 1 40 ? 15.011 -23.185 13.460 1.00 41.92 ? 71 ARG A CG 1 ATOM 308 C CD . ARG A 1 40 ? 13.774 -23.373 12.676 1.00 42.88 ? 71 ARG A CD 1 ATOM 309 N NE . ARG A 1 40 ? 13.801 -24.493 11.753 1.00 41.46 ? 71 ARG A NE 1 ATOM 310 C CZ . ARG A 1 40 ? 12.694 -24.977 11.186 1.00 43.44 ? 71 ARG A CZ 1 ATOM 311 N NH1 . ARG A 1 40 ? 11.485 -24.461 11.435 1.00 46.17 ? 71 ARG A NH1 1 ATOM 312 N NH2 . ARG A 1 40 ? 12.773 -25.987 10.369 1.00 43.23 ? 71 ARG A NH2 1 ATOM 313 N N . LEU A 1 41 ? 16.327 -21.824 15.713 1.00 44.98 ? 72 LEU A N 1 ATOM 314 C CA . LEU A 1 41 ? 16.180 -20.644 16.574 1.00 48.95 ? 72 LEU A CA 1 ATOM 315 C C . LEU A 1 41 ? 14.707 -20.379 16.990 1.00 51.56 ? 72 LEU A C 1 ATOM 316 O O . LEU A 1 41 ? 14.452 -19.775 18.035 1.00 55.15 ? 72 LEU A O 1 ATOM 317 C CB . LEU A 1 41 ? 16.834 -19.404 15.918 1.00 49.63 ? 72 LEU A CB 1 ATOM 318 C CG . LEU A 1 41 ? 17.682 -18.532 16.863 1.00 52.88 ? 72 LEU A CG 1 ATOM 319 C CD1 . LEU A 1 41 ? 18.646 -19.395 17.672 1.00 52.16 ? 72 LEU A CD1 1 ATOM 320 C CD2 . LEU A 1 41 ? 18.447 -17.455 16.101 1.00 53.38 ? 72 LEU A CD2 1 ATOM 321 N N . ASP A 1 42 ? 13.760 -20.864 16.186 1.00 50.08 ? 73 ASP A N 1 ATOM 322 C CA . ASP A 1 42 ? 12.331 -20.889 16.565 1.00 53.00 ? 73 ASP A CA 1 ATOM 323 C C . ASP A 1 42 ? 12.016 -21.821 17.741 1.00 54.70 ? 73 ASP A C 1 ATOM 324 O O . ASP A 1 42 ? 10.889 -21.871 18.200 1.00 57.36 ? 73 ASP A O 1 ATOM 325 C CB . ASP A 1 42 ? 11.463 -21.297 15.361 1.00 51.70 ? 73 ASP A CB 1 ATOM 326 C CG . ASP A 1 42 ? 11.677 -22.766 14.917 1.00 48.63 ? 73 ASP A CG 1 ATOM 327 O OD1 . ASP A 1 42 ? 12.158 -23.595 15.694 1.00 48.68 ? 73 ASP A OD1 1 ATOM 328 O OD2 . ASP A 1 42 ? 11.341 -23.095 13.773 1.00 46.56 ? 73 ASP A OD2 1 ATOM 329 N N . GLY A 1 43 ? 13.007 -22.603 18.163 1.00 53.02 ? 74 GLY A N 1 ATOM 330 C CA . GLY A 1 43 ? 12.891 -23.472 19.327 1.00 55.43 ? 74 GLY A CA 1 ATOM 331 C C . GLY A 1 43 ? 12.563 -24.915 19.008 1.00 54.37 ? 74 GLY A C 1 ATOM 332 O O . GLY A 1 43 ? 12.288 -25.704 19.905 1.00 56.79 ? 74 GLY A O 1 ATOM 333 N N . THR A 1 44 ? 12.574 -25.276 17.738 1.00 51.47 ? 75 THR A N 1 ATOM 334 C CA . THR A 1 44 ? 12.317 -26.659 17.387 1.00 51.79 ? 75 THR A CA 1 ATOM 335 C C . THR A 1 44 ? 13.572 -27.471 17.498 1.00 49.51 ? 75 THR A C 1 ATOM 336 O O . THR A 1 44 ? 14.537 -27.235 16.780 1.00 45.35 ? 75 THR A O 1 ATOM 337 C CB . THR A 1 44 ? 11.729 -26.836 15.974 1.00 50.92 ? 75 THR A CB 1 ATOM 338 O OG1 . THR A 1 44 ? 11.249 -28.182 15.825 1.00 52.59 ? 75 THR A OG1 1 ATOM 339 C CG2 . THR A 1 44 ? 12.780 -26.525 14.876 1.00 47.22 ? 75 THR A CG2 1 ATOM 340 N N . VAL A 1 45 ? 13.536 -28.425 18.430 1.00 53.00 ? 76 VAL A N 1 ATOM 341 C CA . VAL A 1 45 ? 14.612 -29.400 18.615 1.00 52.24 ? 76 VAL A CA 1 ATOM 342 C C . VAL A 1 45 ? 14.523 -30.421 17.493 1.00 51.13 ? 76 VAL A C 1 ATOM 343 O O . VAL A 1 45 ? 13.475 -31.044 17.264 1.00 53.75 ? 76 VAL A O 1 ATOM 344 C CB . VAL A 1 45 ? 14.541 -30.106 19.989 1.00 56.31 ? 76 VAL A CB 1 ATOM 345 C CG1 . VAL A 1 45 ? 15.180 -31.486 19.911 1.00 56.72 ? 76 VAL A CG1 1 ATOM 346 C CG2 . VAL A 1 45 ? 15.205 -29.256 21.067 1.00 56.82 ? 76 VAL A CG2 1 ATOM 347 N N . VAL A 1 46 ? 15.647 -30.582 16.810 1.00 48.16 ? 77 VAL A N 1 ATOM 348 C CA . VAL A 1 46 ? 15.716 -31.287 15.533 1.00 46.84 ? 77 VAL A CA 1 ATOM 349 C C . VAL A 1 46 ? 16.227 -32.710 15.725 1.00 48.98 ? 77 VAL A C 1 ATOM 350 O O . VAL A 1 46 ? 15.661 -33.678 15.193 1.00 51.09 ? 77 VAL A O 1 ATOM 351 C CB . VAL A 1 46 ? 16.663 -30.528 14.579 1.00 42.88 ? 77 VAL A CB 1 ATOM 352 C CG1 . VAL A 1 46 ? 17.508 -31.496 13.784 1.00 42.70 ? 77 VAL A CG1 1 ATOM 353 C CG2 . VAL A 1 46 ? 15.878 -29.598 13.666 1.00 41.36 ? 77 VAL A CG2 1 ATOM 354 N N . ALA A 1 47 ? 17.301 -32.806 16.506 1.00 49.13 ? 78 ALA A N 1 ATOM 355 C CA . ALA A 1 47 ? 17.980 -34.055 16.794 1.00 51.19 ? 78 ALA A CA 1 ATOM 356 C C . ALA A 1 47 ? 18.631 -33.931 18.171 1.00 52.11 ? 78 ALA A C 1 ATOM 357 O O . ALA A 1 47 ? 18.921 -32.820 18.617 1.00 50.02 ? 78 ALA A O 1 ATOM 358 C CB . ALA A 1 47 ? 19.026 -34.329 15.727 1.00 49.03 ? 78 ALA A CB 1 ATOM 359 N N . ALA A 1 48 ? 18.835 -35.061 18.844 1.00 55.35 ? 79 ALA A N 1 ATOM 360 C CA . ALA A 1 48 ? 19.477 -35.048 20.150 1.00 57.38 ? 79 ALA A CA 1 ATOM 361 C C . ALA A 1 48 ? 19.965 -36.417 20.603 1.00 61.62 ? 79 ALA A C 1 ATOM 362 O O . ALA A 1 48 ? 19.343 -37.430 20.306 1.00 65.26 ? 79 ALA A O 1 ATOM 363 C CB . ALA A 1 48 ? 18.523 -34.482 21.177 1.00 59.21 ? 79 ALA A CB 1 ATOM 364 N N . PHE A 1 49 ? 21.091 -36.436 21.315 1.00 62.45 ? 80 PHE A N 1 ATOM 365 C CA . PHE A 1 49 ? 21.569 -37.627 22.014 1.00 67.26 ? 80 PHE A CA 1 ATOM 366 C C . PHE A 1 49 ? 21.315 -37.377 23.485 1.00 70.77 ? 80 PHE A C 1 ATOM 367 O O . PHE A 1 49 ? 21.888 -36.452 24.045 1.00 69.22 ? 80 PHE A O 1 ATOM 368 C CB . PHE A 1 49 ? 23.070 -37.839 21.785 1.00 66.40 ? 80 PHE A CB 1 ATOM 369 C CG . PHE A 1 49 ? 23.621 -39.051 22.471 1.00 71.73 ? 80 PHE A CG 1 ATOM 370 C CD1 . PHE A 1 49 ? 23.921 -40.200 21.749 1.00 74.21 ? 80 PHE A CD1 1 ATOM 371 C CD2 . PHE A 1 49 ? 23.838 -39.058 23.849 1.00 75.36 ? 80 PHE A CD2 1 ATOM 372 C CE1 . PHE A 1 49 ? 24.421 -41.335 22.385 1.00 79.55 ? 80 PHE A CE1 1 ATOM 373 C CE2 . PHE A 1 49 ? 24.332 -40.195 24.493 1.00 80.49 ? 80 PHE A CE2 1 ATOM 374 C CZ . PHE A 1 49 ? 24.625 -41.333 23.758 1.00 82.43 ? 80 PHE A CZ 1 ATOM 375 N N . HIS A 1 50 ? 20.469 -38.202 24.102 1.00 76.50 ? 81 HIS A N 1 ATOM 376 C CA . HIS A 1 50 ? 20.103 -38.052 25.522 1.00 81.56 ? 81 HIS A CA 1 ATOM 377 C C . HIS A 1 50 ? 20.985 -38.820 26.463 1.00 85.64 ? 81 HIS A C 1 ATOM 378 O O . HIS A 1 50 ? 21.653 -39.768 26.053 1.00 86.33 ? 81 HIS A O 1 ATOM 379 C CB . HIS A 1 50 ? 18.718 -38.643 25.790 1.00 87.20 ? 81 HIS A CB 1 ATOM 380 C CG . HIS A 1 50 ? 17.602 -37.662 25.613 1.00 86.25 ? 81 HIS A CG 1 ATOM 381 N ND1 . HIS A 1 50 ? 17.676 -36.386 26.041 1.00 84.27 ? 81 HIS A ND1 1 ATOM 382 C CD2 . HIS A 1 50 ? 16.352 -37.813 25.044 1.00 88.06 ? 81 HIS A CD2 1 ATOM 383 C CE1 . HIS A 1 50 ? 16.526 -35.751 25.741 1.00 84.74 ? 81 HIS A CE1 1 ATOM 384 N NE2 . HIS A 1 50 ? 15.716 -36.626 25.133 1.00 86.94 ? 81 HIS A NE2 1 ATOM 385 N N . PRO A 1 51 ? 20.986 -38.437 27.759 1.00 88.95 ? 82 PRO A N 1 ATOM 386 C CA . PRO A 1 51 ? 21.923 -39.099 28.661 1.00 92.95 ? 82 PRO A CA 1 ATOM 387 C C . PRO A 1 51 ? 22.163 -40.621 28.631 1.00 97.73 ? 82 PRO A C 1 ATOM 388 O O . PRO A 1 51 ? 23.302 -41.083 28.425 1.00 96.74 ? 82 PRO A O 1 ATOM 389 C CB . PRO A 1 51 ? 21.370 -38.754 30.066 1.00 97.55 ? 82 PRO A CB 1 ATOM 390 C CG . PRO A 1 51 ? 19.886 -38.610 29.883 1.00 98.63 ? 82 PRO A CG 1 ATOM 391 C CD . PRO A 1 51 ? 19.704 -38.086 28.500 1.00 92.32 ? 82 PRO A CD 1 ATOM 392 N N . SER A 1 52 ? 21.064 -41.363 28.782 1.00 102.73 ? 83 SER A N 1 ATOM 393 C CA . SER A 1 52 ? 21.067 -42.810 28.961 1.00 108.75 ? 83 SER A CA 1 ATOM 394 C C . SER A 1 52 ? 20.090 -43.386 27.965 1.00 109.65 ? 83 SER A C 1 ATOM 395 O O . SER A 1 52 ? 20.231 -44.528 27.551 1.00 113.33 ? 83 SER A O 1 ATOM 396 C CB . SER A 1 52 ? 20.690 -43.275 30.377 1.00 115.88 ? 83 SER A CB 1 ATOM 397 O OG . SER A 1 52 ? 21.807 -43.270 31.245 1.00 116.79 ? 83 SER A OG 1 ATOM 398 N N . PHE A 1 53 ? 19.092 -42.600 27.589 1.00 107.37 ? 84 PHE A N 1 ATOM 399 C CA . PHE A 1 53 ? 18.155 -43.015 26.551 1.00 108.31 ? 84 PHE A CA 1 ATOM 400 C C . PHE A 1 53 ? 18.891 -43.410 25.225 1.00 104.36 ? 84 PHE A C 1 ATOM 401 O O . PHE A 1 53 ? 18.674 -44.510 24.695 1.00 108.25 ? 84 PHE A O 1 ATOM 402 C CB . PHE A 1 53 ? 17.075 -41.917 26.360 1.00 105.99 ? 84 PHE A CB 1 ATOM 403 C CG . PHE A 1 53 ? 16.402 -41.933 25.022 1.00 104.33 ? 84 PHE A CG 1 ATOM 404 C CD1 . PHE A 1 53 ? 15.629 -40.860 24.626 1.00 100.85 ? 84 PHE A CD1 1 ATOM 405 C CD2 . PHE A 1 53 ? 16.581 -42.989 24.130 1.00 106.52 ? 84 PHE A CD2 1 ATOM 406 C CE1 . PHE A 1 53 ? 15.035 -40.843 23.378 1.00 98.86 ? 84 PHE A CE1 1 ATOM 407 C CE2 . PHE A 1 53 ? 16.013 -42.977 22.881 1.00 104.74 ? 84 PHE A CE2 1 ATOM 408 C CZ . PHE A 1 53 ? 15.242 -41.903 22.498 1.00 100.59 ? 84 PHE A CZ 1 ATOM 409 N N . GLY A 1 54 ? 19.787 -42.555 24.734 1.00 97.08 ? 85 GLY A N 1 ATOM 410 C CA . GLY A 1 54 ? 20.361 -42.708 23.370 1.00 92.79 ? 85 GLY A CA 1 ATOM 411 C C . GLY A 1 54 ? 20.058 -41.558 22.411 1.00 85.49 ? 85 GLY A C 1 ATOM 412 O O . GLY A 1 54 ? 19.699 -40.467 22.849 1.00 82.72 ? 85 GLY A O 1 ATOM 413 N N . VAL A 1 55 ? 20.199 -41.813 21.104 1.00 82.85 ? 86 VAL A N 1 ATOM 414 C CA . VAL A 1 55 ? 19.994 -40.784 20.053 1.00 76.39 ? 86 VAL A CA 1 ATOM 415 C C . VAL A 1 55 ? 18.531 -40.648 19.657 1.00 77.27 ? 86 VAL A C 1 ATOM 416 O O . VAL A 1 55 ? 17.835 -41.653 19.485 1.00 82.82 ? 86 VAL A O 1 ATOM 417 C CB . VAL A 1 55 ? 20.770 -41.109 18.760 1.00 73.98 ? 86 VAL A CB 1 ATOM 418 C CG1 . VAL A 1 55 ? 20.216 -42.358 18.081 1.00 78.37 ? 86 VAL A CG1 1 ATOM 419 C CG2 . VAL A 1 55 ? 20.726 -39.924 17.812 1.00 67.46 ? 86 VAL A CG2 1 ATOM 420 N N . ASP A 1 56 ? 18.085 -39.408 19.466 1.00 72.88 ? 87 ASP A N 1 ATOM 421 C CA . ASP A 1 56 ? 16.665 -39.112 19.237 1.00 73.96 ? 87 ASP A CA 1 ATOM 422 C C . ASP A 1 56 ? 16.414 -38.034 18.196 1.00 68.63 ? 87 ASP A C 1 ATOM 423 O O . ASP A 1 56 ? 17.271 -37.180 17.958 1.00 64.20 ? 87 ASP A O 1 ATOM 424 C CB . ASP A 1 56 ? 16.048 -38.657 20.546 1.00 77.04 ? 87 ASP A CB 1 ATOM 425 C CG . ASP A 1 56 ? 14.592 -38.316 20.416 1.00 79.15 ? 87 ASP A CG 1 ATOM 426 O OD1 . ASP A 1 56 ? 13.922 -38.875 19.519 1.00 81.00 ? 87 ASP A OD1 1 ATOM 427 O OD2 . ASP A 1 56 ? 14.121 -37.481 21.216 1.00 80.04 ? 87 ASP A OD2 1 ATOM 428 N N . PHE A 1 57 ? 15.212 -38.054 17.611 1.00 69.85 ? 88 PHE A N 1 ATOM 429 C CA . PHE A 1 57 ? 14.831 -37.128 16.526 1.00 65.98 ? 88 PHE A CA 1 ATOM 430 C C . PHE A 1 57 ? 13.374 -36.716 16.653 1.00 68.63 ? 88 PHE A C 1 ATOM 431 O O . PHE A 1 57 ? 12.556 -37.126 15.841 1.00 71.06 ? 88 PHE A O 1 ATOM 432 C CB . PHE A 1 57 ? 15.017 -37.811 15.182 1.00 65.07 ? 88 PHE A CB 1 ATOM 433 C CG . PHE A 1 57 ? 16.446 -37.990 14.785 1.00 62.29 ? 88 PHE A CG 1 ATOM 434 C CD1 . PHE A 1 57 ? 17.106 -36.980 14.110 1.00 56.93 ? 88 PHE A CD1 1 ATOM 435 C CD2 . PHE A 1 57 ? 17.138 -39.172 15.083 1.00 65.46 ? 88 PHE A CD2 1 ATOM 436 C CE1 . PHE A 1 57 ? 18.427 -37.128 13.737 1.00 55.08 ? 88 PHE A CE1 1 ATOM 437 C CE2 . PHE A 1 57 ? 18.461 -39.327 14.716 1.00 63.58 ? 88 PHE A CE2 1 ATOM 438 C CZ . PHE A 1 57 ? 19.107 -38.298 14.040 1.00 58.47 ? 88 PHE A CZ 1 ATOM 439 N N . PRO A 1 58 ? 13.058 -35.859 17.643 1.00 69.34 ? 89 PRO A N 1 ATOM 440 C CA . PRO A 1 58 ? 11.695 -35.691 18.184 1.00 73.57 ? 89 PRO A CA 1 ATOM 441 C C . PRO A 1 58 ? 10.661 -35.065 17.233 1.00 72.80 ? 89 PRO A C 1 ATOM 442 O O . PRO A 1 58 ? 9.466 -35.354 17.349 1.00 77.03 ? 89 PRO A O 1 ATOM 443 C CB . PRO A 1 58 ? 11.920 -34.785 19.400 1.00 73.29 ? 89 PRO A CB 1 ATOM 444 C CG . PRO A 1 58 ? 13.105 -33.957 19.030 1.00 67.22 ? 89 PRO A CG 1 ATOM 445 C CD . PRO A 1 58 ? 13.973 -34.806 18.130 1.00 65.35 ? 89 PRO A CD 1 ATOM 446 N N . ASN A 1 59 ? 11.096 -34.226 16.303 1.00 67.94 ? 90 ASN A N 1 ATOM 447 C CA . ASN A 1 59 ? 10.123 -33.610 15.409 1.00 68.40 ? 90 ASN A CA 1 ATOM 448 C C . ASN A 1 59 ? 9.804 -34.396 14.122 1.00 69.43 ? 90 ASN A C 1 ATOM 449 O O . ASN A 1 59 ? 10.697 -34.810 13.355 1.00 66.45 ? 90 ASN A O 1 ATOM 450 C CB . ASN A 1 59 ? 10.496 -32.180 15.050 1.00 63.85 ? 90 ASN A CB 1 ATOM 451 C CG . ASN A 1 59 ? 9.289 -31.383 14.581 1.00 64.80 ? 90 ASN A CG 1 ATOM 452 O OD1 . ASN A 1 59 ? 8.589 -30.778 15.388 1.00 67.44 ? 90 ASN A OD1 1 ATOM 453 N ND2 . ASN A 1 59 ? 9.017 -31.418 13.282 1.00 63.04 ? 90 ASN A ND2 1 ATOM 454 N N . SER A 1 60 ? 8.498 -34.534 13.897 1.00 73.30 ? 91 SER A N 1 ATOM 455 C CA . SER A 1 60 ? 7.925 -35.212 12.739 1.00 74.90 ? 91 SER A CA 1 ATOM 456 C C . SER A 1 60 ? 8.557 -34.807 11.399 1.00 69.91 ? 91 SER A C 1 ATOM 457 O O . SER A 1 60 ? 8.758 -35.642 10.524 1.00 71.09 ? 91 SER A O 1 ATOM 458 C CB . SER A 1 60 ? 6.423 -34.923 12.707 1.00 78.55 ? 91 SER A CB 1 ATOM 459 O OG . SER A 1 60 ? 5.793 -35.459 11.567 1.00 80.49 ? 91 SER A OG 1 ATOM 460 N N . GLN A 1 61 ? 8.871 -33.531 11.247 1.00 65.24 ? 92 GLN A N 1 ATOM 461 C CA . GLN A 1 61 ? 9.317 -32.998 9.956 1.00 61.26 ? 92 GLN A CA 1 ATOM 462 C C . GLN A 1 61 ? 10.744 -33.352 9.643 1.00 57.52 ? 92 GLN A C 1 ATOM 463 O O . GLN A 1 61 ? 11.162 -33.344 8.486 1.00 55.23 ? 92 GLN A O 1 ATOM 464 C CB . GLN A 1 61 ? 9.193 -31.479 9.933 1.00 58.90 ? 92 GLN A CB 1 ATOM 465 C CG . GLN A 1 61 ? 7.851 -30.973 9.450 1.00 61.01 ? 92 GLN A CG 1 ATOM 466 C CD . GLN A 1 61 ? 7.596 -29.581 9.963 1.00 60.13 ? 92 GLN A CD 1 ATOM 467 O OE1 . GLN A 1 61 ? 8.152 -28.592 9.436 1.00 56.56 ? 92 GLN A OE1 1 ATOM 468 N NE2 . GLN A 1 61 ? 6.778 -29.485 11.019 1.00 62.92 ? 92 GLN A NE2 1 ATOM 469 N N . PHE A 1 62 ? 11.496 -33.640 10.683 1.00 57.28 ? 93 PHE A N 1 ATOM 470 C CA . PHE A 1 62 ? 12.890 -33.946 10.526 1.00 54.54 ? 93 PHE A CA 1 ATOM 471 C C . PHE A 1 62 ? 13.065 -35.319 11.082 1.00 58.11 ? 93 PHE A C 1 ATOM 472 O O . PHE A 1 62 ? 13.626 -35.507 12.170 1.00 58.41 ? 93 PHE A O 1 ATOM 473 C CB . PHE A 1 62 ? 13.719 -32.963 11.289 1.00 51.44 ? 93 PHE A CB 1 ATOM 474 C CG . PHE A 1 62 ? 13.471 -31.540 10.911 1.00 48.82 ? 93 PHE A CG 1 ATOM 475 C CD1 . PHE A 1 62 ? 14.383 -30.878 10.104 1.00 45.05 ? 93 PHE A CD1 1 ATOM 476 C CD2 . PHE A 1 62 ? 12.352 -30.840 11.403 1.00 50.11 ? 93 PHE A CD2 1 ATOM 477 C CE1 . PHE A 1 62 ? 14.201 -29.561 9.790 1.00 43.05 ? 93 PHE A CE1 1 ATOM 478 C CE2 . PHE A 1 62 ? 12.167 -29.511 11.080 1.00 47.88 ? 93 PHE A CE2 1 ATOM 479 C CZ . PHE A 1 62 ? 13.094 -28.888 10.275 1.00 44.94 ? 93 PHE A CZ 1 ATOM 480 N N . SER A 1 63 ? 12.544 -36.282 10.335 1.00 61.03 ? 94 SER A N 1 ATOM 481 C CA . SER A 1 63 ? 12.563 -37.642 10.774 1.00 65.47 ? 94 SER A CA 1 ATOM 482 C C . SER A 1 63 ? 13.970 -38.210 10.600 1.00 64.35 ? 94 SER A C 1 ATOM 483 O O . SER A 1 63 ? 14.797 -37.720 9.836 1.00 60.32 ? 94 SER A O 1 ATOM 484 C CB . SER A 1 63 ? 11.516 -38.491 10.039 1.00 70.06 ? 94 SER A CB 1 ATOM 485 O OG . SER A 1 63 ? 11.827 -38.651 8.675 1.00 68.97 ? 94 SER A OG 1 ATOM 486 N N . LYS A 1 64 ? 14.202 -39.233 11.387 1.00 68.33 ? 95 LYS A N 1 ATOM 487 C CA . LYS A 1 64 ? 15.331 -40.140 11.325 1.00 70.07 ? 95 LYS A CA 1 ATOM 488 C C . LYS A 1 64 ? 15.699 -40.656 9.917 1.00 70.85 ? 95 LYS A C 1 ATOM 489 O O . LYS A 1 64 ? 16.863 -41.005 9.651 1.00 70.38 ? 95 LYS A O 1 ATOM 490 C CB . LYS A 1 64 ? 15.030 -41.335 12.237 1.00 76.28 ? 95 LYS A CB 1 ATOM 491 C CG . LYS A 1 64 ? 13.597 -41.437 12.829 1.00 80.48 ? 95 LYS A CG 1 ATOM 492 C CD . LYS A 1 64 ? 12.546 -40.592 12.149 1.00 78.56 ? 95 LYS A CD 1 ATOM 493 C CE . LYS A 1 64 ? 11.122 -40.874 12.563 1.00 83.91 ? 95 LYS A CE 1 ATOM 494 N NZ . LYS A 1 64 ? 10.633 -39.828 13.507 1.00 81.88 ? 95 LYS A NZ 1 ATOM 495 N N . ASP A 1 65 ? 14.705 -40.711 9.032 1.00 72.12 ? 96 ASP A N 1 ATOM 496 C CA . ASP A 1 65 ? 14.928 -41.110 7.644 1.00 72.59 ? 96 ASP A CA 1 ATOM 497 C C . ASP A 1 65 ? 15.687 -40.038 6.876 1.00 66.49 ? 96 ASP A C 1 ATOM 498 O O . ASP A 1 65 ? 16.276 -40.312 5.842 1.00 67.26 ? 96 ASP A O 1 ATOM 499 C CB . ASP A 1 65 ? 13.595 -41.364 6.952 1.00 75.79 ? 96 ASP A CB 1 ATOM 500 C CG . ASP A 1 65 ? 12.846 -40.089 6.639 1.00 71.58 ? 96 ASP A CG 1 ATOM 501 O OD1 . ASP A 1 65 ? 13.341 -38.986 6.956 1.00 66.02 ? 96 ASP A OD1 1 ATOM 502 O OD2 . ASP A 1 65 ? 11.746 -40.193 6.074 1.00 74.64 ? 96 ASP A OD2 1 ATOM 503 N N . ARG A 1 66 ? 15.644 -38.810 7.381 1.00 61.62 ? 97 ARG A N 1 ATOM 504 C CA . ARG A 1 66 ? 16.192 -37.653 6.674 1.00 56.70 ? 97 ARG A CA 1 ATOM 505 C C . ARG A 1 66 ? 17.425 -37.070 7.388 1.00 53.16 ? 97 ARG A C 1 ATOM 506 O O . ARG A 1 66 ? 18.389 -36.665 6.734 1.00 51.35 ? 97 ARG A O 1 ATOM 507 C CB . ARG A 1 66 ? 15.116 -36.573 6.492 1.00 54.34 ? 97 ARG A CB 1 ATOM 508 C CG . ARG A 1 66 ? 14.033 -36.925 5.492 1.00 57.06 ? 97 ARG A CG 1 ATOM 509 C CD . ARG A 1 66 ? 13.115 -35.732 5.247 1.00 55.04 ? 97 ARG A CD 1 ATOM 510 N NE . ARG A 1 66 ? 13.855 -34.541 4.791 1.00 50.28 ? 97 ARG A NE 1 ATOM 511 C CZ . ARG A 1 66 ? 13.973 -33.398 5.463 1.00 46.74 ? 97 ARG A CZ 1 ATOM 512 N NH1 . ARG A 1 66 ? 13.385 -33.224 6.636 1.00 48.06 ? 97 ARG A NH1 1 ATOM 513 N NH2 . ARG A 1 66 ? 14.677 -32.415 4.949 1.00 43.17 ? 97 ARG A NH2 1 ATOM 514 N N . LEU A 1 67 ? 17.401 -37.031 8.716 1.00 52.49 ? 98 LEU A N 1 ATOM 515 C CA . LEU A 1 67 ? 18.532 -36.528 9.456 1.00 49.66 ? 98 LEU A CA 1 ATOM 516 C C . LEU A 1 67 ? 19.292 -37.689 10.034 1.00 52.80 ? 98 LEU A C 1 ATOM 517 O O . LEU A 1 67 ? 18.787 -38.809 10.097 1.00 57.62 ? 98 LEU A O 1 ATOM 518 C CB . LEU A 1 67 ? 18.104 -35.578 10.572 1.00 47.92 ? 98 LEU A CB 1 ATOM 519 C CG . LEU A 1 67 ? 17.230 -34.345 10.283 1.00 45.36 ? 98 LEU A CG 1 ATOM 520 C CD1 . LEU A 1 67 ? 17.459 -33.354 11.398 1.00 43.13 ? 98 LEU A CD1 1 ATOM 521 C CD2 . LEU A 1 67 ? 17.496 -33.685 8.947 1.00 42.76 ? 98 LEU A CD2 1 ATOM 522 N N . SER A 1 68 ? 20.524 -37.417 10.436 1.00 51.05 ? 99 SER A N 1 ATOM 523 C CA . SER A 1 68 ? 21.357 -38.395 11.110 1.00 53.89 ? 99 SER A CA 1 ATOM 524 C C . SER A 1 68 ? 22.657 -37.743 11.507 1.00 51.31 ? 99 SER A C 1 ATOM 525 O O . SER A 1 68 ? 23.095 -36.784 10.890 1.00 48.02 ? 99 SER A O 1 ATOM 526 C CB . SER A 1 68 ? 21.630 -39.612 10.224 1.00 58.09 ? 99 SER A CB 1 ATOM 527 O OG . SER A 1 68 ? 21.977 -39.206 8.915 1.00 57.10 ? 99 SER A OG 1 ATOM 528 N N . PHE A 1 69 ? 23.268 -38.275 12.555 1.00 53.63 ? 100 PHE A N 1 ATOM 529 C CA . PHE A 1 69 ? 24.561 -37.799 13.015 1.00 52.36 ? 100 PHE A CA 1 ATOM 530 C C . PHE A 1 69 ? 25.639 -38.480 12.170 1.00 54.69 ? 100 PHE A C 1 ATOM 531 O O . PHE A 1 69 ? 25.625 -39.707 11.979 1.00 58.66 ? 100 PHE A O 1 ATOM 532 C CB . PHE A 1 69 ? 24.759 -38.073 14.508 1.00 53.83 ? 100 PHE A CB 1 ATOM 533 C CG . PHE A 1 69 ? 23.980 -37.151 15.404 1.00 51.72 ? 100 PHE A CG 1 ATOM 534 C CD1 . PHE A 1 69 ? 24.350 -35.819 15.527 1.00 48.68 ? 100 PHE A CD1 1 ATOM 535 C CD2 . PHE A 1 69 ? 22.889 -37.612 16.148 1.00 54.04 ? 100 PHE A CD2 1 ATOM 536 C CE1 . PHE A 1 69 ? 23.651 -34.960 16.371 1.00 47.59 ? 100 PHE A CE1 1 ATOM 537 C CE2 . PHE A 1 69 ? 22.177 -36.752 16.989 1.00 52.86 ? 100 PHE A CE2 1 ATOM 538 C CZ . PHE A 1 69 ? 22.564 -35.425 17.098 1.00 49.63 ? 100 PHE A CZ 1 ATOM 539 N N . VAL A 1 70 ? 26.571 -37.666 11.683 1.00 52.78 ? 101 VAL A N 1 ATOM 540 C CA . VAL A 1 70 ? 27.600 -38.086 10.736 1.00 54.85 ? 101 VAL A CA 1 ATOM 541 C C . VAL A 1 70 ? 28.585 -39.102 11.308 1.00 59.05 ? 101 VAL A C 1 ATOM 542 O O . VAL A 1 70 ? 29.404 -39.633 10.588 1.00 61.78 ? 101 VAL A O 1 ATOM 543 C CB . VAL A 1 70 ? 28.385 -36.855 10.235 1.00 52.50 ? 101 VAL A CB 1 ATOM 544 C CG1 . VAL A 1 70 ? 29.868 -37.168 10.085 1.00 55.88 ? 101 VAL A CG1 1 ATOM 545 C CG2 . VAL A 1 70 ? 27.790 -36.350 8.937 1.00 50.68 ? 101 VAL A CG2 1 ATOM 546 N N . ARG A 1 71 ? 28.493 -39.356 12.605 1.00 60.20 ? 102 ARG A N 1 ATOM 547 C CA . ARG A 1 71 ? 29.418 -40.222 13.327 1.00 64.77 ? 102 ARG A CA 1 ATOM 548 C C . ARG A 1 71 ? 28.566 -41.028 14.286 1.00 67.25 ? 102 ARG A C 1 ATOM 549 O O . ARG A 1 71 ? 28.423 -40.658 15.452 1.00 66.99 ? 102 ARG A O 1 ATOM 550 C CB . ARG A 1 71 ? 30.402 -39.377 14.143 1.00 63.56 ? 102 ARG A CB 1 ATOM 551 C CG . ARG A 1 71 ? 31.769 -39.077 13.512 1.00 64.90 ? 102 ARG A CG 1 ATOM 552 C CD . ARG A 1 71 ? 32.214 -37.629 13.746 1.00 61.81 ? 102 ARG A CD 1 ATOM 553 N NE . ARG A 1 71 ? 33.282 -37.420 14.754 1.00 63.79 ? 102 ARG A NE 1 ATOM 554 C CZ . ARG A 1 71 ? 33.366 -37.984 15.969 1.00 65.59 ? 102 ARG A CZ 1 ATOM 555 N NH1 . ARG A 1 71 ? 32.429 -38.807 16.435 1.00 66.27 ? 102 ARG A NH1 1 ATOM 556 N NH2 . ARG A 1 71 ? 34.395 -37.683 16.746 1.00 67.13 ? 102 ARG A NH2 1 ATOM 557 N N . ALA A 1 72 ? 27.959 -42.098 13.792 1.00 70.75 ? 103 ALA A N 1 ATOM 558 C CA . ALA A 1 72 ? 26.907 -42.832 14.565 1.00 73.25 ? 103 ALA A CA 1 ATOM 559 C C . ALA A 1 72 ? 27.294 -44.112 15.415 1.00 79.38 ? 103 ALA A C 1 ATOM 560 O O . ALA A 1 72 ? 26.489 -45.041 15.461 1.00 83.60 ? 103 ALA A O 1 ATOM 561 C CB . ALA A 1 72 ? 25.820 -43.300 13.591 1.00 74.23 ? 103 ALA A CB 1 ATOM 562 N N . ARG A 1 73 ? 28.441 -44.198 16.099 1.00 80.50 ? 104 ARG A N 1 ATOM 563 C CA . ARG A 1 73 ? 28.780 -45.478 16.769 1.00 87.46 ? 104 ARG A CA 1 ATOM 564 C C . ARG A 1 73 ? 29.569 -45.086 18.060 1.00 87.13 ? 104 ARG A C 1 ATOM 565 O O . ARG A 1 73 ? 30.652 -45.608 18.310 1.00 90.93 ? 104 ARG A O 1 ATOM 566 C CB . ARG A 1 73 ? 29.736 -46.430 16.000 1.00 92.88 ? 104 ARG A CB 1 ATOM 567 C CG . ARG A 1 73 ? 30.721 -47.270 16.813 1.00 98.55 ? 104 ARG A CG 1 ATOM 568 C CD . ARG A 1 73 ? 31.835 -46.416 17.428 1.00 95.77 ? 104 ARG A CD 1 ATOM 569 N NE . ARG A 1 73 ? 33.033 -46.310 16.589 1.00 96.78 ? 104 ARG A NE 1 ATOM 570 C CZ . ARG A 1 73 ? 34.218 -46.877 16.856 1.00 102.19 ? 104 ARG A CZ 1 ATOM 571 N NH1 . ARG A 1 73 ? 34.399 -47.617 17.952 1.00 106.52 ? 104 ARG A NH1 1 ATOM 572 N NH2 . ARG A 1 73 ? 35.241 -46.707 16.015 1.00 103.60 ? 104 ARG A NH2 1 ATOM 573 N N . PRO A 1 74 ? 28.979 -44.253 18.929 1.00 83.48 ? 105 PRO A N 1 ATOM 574 C CA . PRO A 1 74 ? 29.722 -43.454 19.924 1.00 81.43 ? 105 PRO A CA 1 ATOM 575 C C . PRO A 1 74 ? 30.077 -44.447 21.037 1.00 87.25 ? 105 PRO A C 1 ATOM 576 O O . PRO A 1 74 ? 29.186 -44.975 21.703 1.00 89.92 ? 105 PRO A O 1 ATOM 577 C CB . PRO A 1 74 ? 28.758 -42.393 20.467 1.00 77.07 ? 105 PRO A CB 1 ATOM 578 C CG . PRO A 1 74 ? 27.418 -42.908 20.076 1.00 78.14 ? 105 PRO A CG 1 ATOM 579 C CD . PRO A 1 74 ? 27.641 -43.424 18.683 1.00 78.79 ? 105 PRO A CD 1 ATOM 580 N N . GLU A 1 75 ? 31.375 -44.688 21.223 1.00 89.66 ? 106 GLU A N 1 ATOM 581 C CA . GLU A 1 75 ? 31.875 -45.561 22.298 1.00 95.47 ? 106 GLU A CA 1 ATOM 582 C C . GLU A 1 75 ? 31.828 -44.886 23.651 1.00 94.26 ? 106 GLU A C 1 ATOM 583 O O . GLU A 1 75 ? 31.105 -45.299 24.534 1.00 96.93 ? 106 GLU A O 1 ATOM 584 C CB . GLU A 1 75 ? 33.328 -45.969 22.071 1.00 98.85 ? 106 GLU A CB 1 ATOM 585 C CG . GLU A 1 75 ? 33.691 -46.360 20.676 1.00 99.77 ? 106 GLU A CG 1 ATOM 586 C CD . GLU A 1 75 ? 34.277 -47.741 20.640 1.00 107.61 ? 106 GLU A CD 1 ATOM 587 O OE1 . GLU A 1 75 ? 35.420 -47.921 21.094 1.00 110.90 ? 106 GLU A OE1 1 ATOM 588 O OE2 . GLU A 1 75 ? 33.580 -48.648 20.150 1.00 110.99 ? 106 GLU A OE2 1 ATOM 589 N N . THR A 1 76 ? 32.627 -43.844 23.803 1.00 91.01 ? 107 THR A N 1 ATOM 590 C CA . THR A 1 76 ? 32.815 -43.209 25.088 1.00 91.12 ? 107 THR A CA 1 ATOM 591 C C . THR A 1 76 ? 32.756 -41.718 24.941 1.00 85.27 ? 107 THR A C 1 ATOM 592 O O . THR A 1 76 ? 32.795 -41.211 23.845 1.00 82.01 ? 107 THR A O 1 ATOM 593 C CB . THR A 1 76 ? 34.134 -43.671 25.731 1.00 96.33 ? 107 THR A CB 1 ATOM 594 O OG1 . THR A 1 76 ? 33.835 -44.589 26.794 1.00 102.06 ? 107 THR A OG1 1 ATOM 595 C CG2 . THR A 1 76 ? 34.956 -42.493 26.274 1.00 94.71 ? 107 THR A CG2 1 ATOM 596 N N . ASN A 1 77 ? 32.654 -41.013 26.053 1.00 85.19 ? 108 ASN A N 1 ATOM 597 C CA . ASN A 1 77 ? 32.334 -39.586 26.033 1.00 80.77 ? 108 ASN A CA 1 ATOM 598 C C . ASN A 1 77 ? 33.012 -38.822 24.904 1.00 77.30 ? 108 ASN A C 1 ATOM 599 O O . ASN A 1 77 ? 32.358 -38.133 24.134 1.00 73.05 ? 108 ASN A O 1 ATOM 600 C CB . ASN A 1 77 ? 32.713 -38.944 27.361 1.00 82.86 ? 108 ASN A CB 1 ATOM 601 C CG . ASN A 1 77 ? 31.591 -38.137 27.944 1.00 81.33 ? 108 ASN A CG 1 ATOM 602 O OD1 . ASN A 1 77 ? 30.464 -38.616 28.087 1.00 81.96 ? 108 ASN A OD1 1 ATOM 603 N ND2 . ASN A 1 77 ? 31.887 -36.901 28.278 1.00 80.10 ? 108 ASN A ND2 1 ATOM 604 N N . ALA A 1 78 ? 34.329 -38.954 24.806 1.00 79.55 ? 109 ALA A N 1 ATOM 605 C CA . ALA A 1 78 ? 35.073 -38.369 23.709 1.00 77.18 ? 109 ALA A CA 1 ATOM 606 C C . ALA A 1 78 ? 34.262 -38.513 22.420 1.00 73.86 ? 109 ALA A C 1 ATOM 607 O O . ALA A 1 78 ? 34.037 -37.525 21.720 1.00 70.25 ? 109 ALA A O 1 ATOM 608 C CB . ALA A 1 78 ? 36.435 -39.038 23.582 1.00 81.68 ? 109 ALA A CB 1 ATOM 609 N N . ASP A 1 79 ? 33.769 -39.729 22.150 1.00 75.80 ? 110 ASP A N 1 ATOM 610 C CA . ASP A 1 79 ? 32.948 -40.012 20.953 1.00 73.62 ? 110 ASP A CA 1 ATOM 611 C C . ASP A 1 79 ? 31.794 -39.027 20.785 1.00 68.55 ? 110 ASP A C 1 ATOM 612 O O . ASP A 1 79 ? 31.213 -38.926 19.702 1.00 65.84 ? 110 ASP A O 1 ATOM 613 C CB . ASP A 1 79 ? 32.402 -41.467 20.948 1.00 77.56 ? 110 ASP A CB 1 ATOM 614 C CG . ASP A 1 79 ? 33.343 -42.449 20.280 1.00 81.71 ? 110 ASP A CG 1 ATOM 615 O OD1 . ASP A 1 79 ? 33.395 -43.623 20.683 1.00 86.79 ? 110 ASP A OD1 1 ATOM 616 O OD2 . ASP A 1 79 ? 34.023 -42.047 19.326 1.00 80.55 ? 110 ASP A OD2 1 ATOM 617 N N . LEU A 1 80 ? 31.511 -38.279 21.846 1.00 67.59 ? 111 LEU A N 1 ATOM 618 C CA . LEU A 1 80 ? 30.403 -37.343 21.878 1.00 63.87 ? 111 LEU A CA 1 ATOM 619 C C . LEU A 1 80 ? 30.789 -35.975 21.396 1.00 60.62 ? 111 LEU A C 1 ATOM 620 O O . LEU A 1 80 ? 29.924 -35.193 21.036 1.00 57.67 ? 111 LEU A O 1 ATOM 621 C CB . LEU A 1 80 ? 29.881 -37.191 23.296 1.00 65.41 ? 111 LEU A CB 1 ATOM 622 C CG . LEU A 1 80 ? 29.028 -38.316 23.842 1.00 68.41 ? 111 LEU A CG 1 ATOM 623 C CD1 . LEU A 1 80 ? 27.789 -37.680 24.439 1.00 67.52 ? 111 LEU A CD1 1 ATOM 624 C CD2 . LEU A 1 80 ? 28.676 -39.352 22.784 1.00 68.88 ? 111 LEU A CD2 1 ATOM 625 N N . ARG A 1 81 ? 32.079 -35.668 21.392 1.00 61.97 ? 112 ARG A N 1 ATOM 626 C CA . ARG A 1 81 ? 32.505 -34.310 21.094 1.00 60.11 ? 112 ARG A CA 1 ATOM 627 C C . ARG A 1 81 ? 32.124 -33.865 19.680 1.00 56.76 ? 112 ARG A C 1 ATOM 628 O O . ARG A 1 81 ? 32.127 -32.678 19.407 1.00 54.57 ? 112 ARG A O 1 ATOM 629 C CB . ARG A 1 81 ? 34.017 -34.111 21.348 1.00 63.22 ? 112 ARG A CB 1 ATOM 630 C CG . ARG A 1 81 ? 34.371 -34.048 22.830 1.00 65.92 ? 112 ARG A CG 1 ATOM 631 C CD . ARG A 1 81 ? 35.757 -33.491 23.102 1.00 68.80 ? 112 ARG A CD 1 ATOM 632 N NE . ARG A 1 81 ? 36.349 -34.239 24.212 1.00 73.27 ? 112 ARG A NE 1 ATOM 633 C CZ . ARG A 1 81 ? 37.470 -34.967 24.160 1.00 77.22 ? 112 ARG A CZ 1 ATOM 634 N NH1 . ARG A 1 81 ? 38.194 -35.023 23.055 1.00 77.56 ? 112 ARG A NH1 1 ATOM 635 N NH2 . ARG A 1 81 ? 37.894 -35.625 25.245 1.00 81.33 ? 112 ARG A NH2 1 ATOM 636 N N . ASP A 1 82 ? 31.779 -34.814 18.805 1.00 56.75 ? 113 ASP A N 1 ATOM 637 C CA . ASP A 1 82 ? 31.350 -34.499 17.438 1.00 54.39 ? 113 ASP A CA 1 ATOM 638 C C . ASP A 1 82 ? 29.847 -34.739 17.279 1.00 52.28 ? 113 ASP A C 1 ATOM 639 O O . ASP A 1 82 ? 29.372 -35.875 17.230 1.00 53.71 ? 113 ASP A O 1 ATOM 640 C CB . ASP A 1 82 ? 32.144 -35.313 16.393 1.00 56.68 ? 113 ASP A CB 1 ATOM 641 C CG . ASP A 1 82 ? 32.406 -34.530 15.091 1.00 55.27 ? 113 ASP A CG 1 ATOM 642 O OD1 . ASP A 1 82 ? 33.077 -33.464 15.136 1.00 55.16 ? 113 ASP A OD1 1 ATOM 643 O OD2 . ASP A 1 82 ? 31.976 -34.999 14.015 1.00 54.95 ? 113 ASP A OD2 1 ATOM 644 N N . ALA A 1 83 ? 29.105 -33.648 17.193 1.00 49.57 ? 114 ALA A N 1 ATOM 645 C CA . ALA A 1 83 ? 27.660 -33.716 17.023 1.00 48.03 ? 114 ALA A CA 1 ATOM 646 C C . ALA A 1 83 ? 27.272 -33.395 15.600 1.00 45.65 ? 114 ALA A C 1 ATOM 647 O O . ALA A 1 83 ? 26.165 -32.942 15.365 1.00 43.87 ? 114 ALA A O 1 ATOM 648 C CB . ALA A 1 83 ? 26.972 -32.739 17.970 1.00 47.32 ? 114 ALA A CB 1 ATOM 649 N N . THR A 1 84 ? 28.177 -33.624 14.657 1.00 46.30 ? 115 THR A N 1 ATOM 650 C CA . THR A 1 84 ? 27.934 -33.286 13.247 1.00 45.01 ? 115 THR A CA 1 ATOM 651 C C . THR A 1 84 ? 26.662 -33.916 12.681 1.00 44.13 ? 115 THR A C 1 ATOM 652 O O . THR A 1 84 ? 26.481 -35.124 12.759 1.00 46.67 ? 115 THR A O 1 ATOM 653 C CB . THR A 1 84 ? 29.116 -33.717 12.376 1.00 47.46 ? 115 THR A CB 1 ATOM 654 O OG1 . THR A 1 84 ? 30.322 -33.230 12.980 1.00 49.64 ? 115 THR A OG1 1 ATOM 655 C CG2 . THR A 1 84 ? 28.978 -33.166 10.942 1.00 45.99 ? 115 THR A CG2 1 ATOM 656 N N . LEU A 1 85 ? 25.800 -33.087 12.099 1.00 41.20 ? 116 LEU A N 1 ATOM 657 C CA . LEU A 1 85 ? 24.491 -33.530 11.660 1.00 40.78 ? 116 LEU A CA 1 ATOM 658 C C . LEU A 1 85 ? 24.354 -33.417 10.160 1.00 40.40 ? 116 LEU A C 1 ATOM 659 O O . LEU A 1 85 ? 24.649 -32.375 9.587 1.00 38.68 ? 116 LEU A O 1 ATOM 660 C CB . LEU A 1 85 ? 23.400 -32.702 12.337 1.00 39.08 ? 116 LEU A CB 1 ATOM 661 C CG . LEU A 1 85 ? 21.961 -33.188 12.139 1.00 39.23 ? 116 LEU A CG 1 ATOM 662 C CD1 . LEU A 1 85 ? 21.717 -34.466 12.919 1.00 42.13 ? 116 LEU A CD1 1 ATOM 663 C CD2 . LEU A 1 85 ? 20.984 -32.114 12.564 1.00 37.55 ? 116 LEU A CD2 1 ATOM 664 N N . ALA A 1 86 ? 23.881 -34.500 9.541 1.00 42.82 ? 117 ALA A N 1 ATOM 665 C CA . ALA A 1 86 ? 23.634 -34.569 8.092 1.00 43.28 ? 117 ALA A CA 1 ATOM 666 C C . ALA A 1 86 ? 22.147 -34.457 7.773 1.00 42.79 ? 117 ALA A C 1 ATOM 667 O O . ALA A 1 86 ? 21.337 -35.178 8.345 1.00 44.78 ? 117 ALA A O 1 ATOM 668 C CB . ALA A 1 86 ? 24.171 -35.882 7.520 1.00 46.91 ? 117 ALA A CB 1 ATOM 669 N N . PHE A 1 87 ? 21.811 -33.558 6.847 1.00 41.14 ? 118 PHE A N 1 ATOM 670 C CA . PHE A 1 87 ? 20.470 -33.463 6.258 1.00 40.62 ? 118 PHE A CA 1 ATOM 671 C C . PHE A 1 87 ? 20.522 -34.081 4.870 1.00 42.94 ? 118 PHE A C 1 ATOM 672 O O . PHE A 1 87 ? 21.389 -33.719 4.080 1.00 43.01 ? 118 PHE A O 1 ATOM 673 C CB . PHE A 1 87 ? 20.074 -32.002 6.048 1.00 37.73 ? 118 PHE A CB 1 ATOM 674 C CG . PHE A 1 87 ? 19.553 -31.298 7.267 1.00 36.14 ? 118 PHE A CG 1 ATOM 675 C CD1 . PHE A 1 87 ? 18.199 -30.990 7.382 1.00 36.11 ? 118 PHE A CD1 1 ATOM 676 C CD2 . PHE A 1 87 ? 20.406 -30.881 8.253 1.00 35.35 ? 118 PHE A CD2 1 ATOM 677 C CE1 . PHE A 1 87 ? 17.707 -30.322 8.480 1.00 35.46 ? 118 PHE A CE1 1 ATOM 678 C CE2 . PHE A 1 87 ? 19.916 -30.204 9.349 1.00 34.98 ? 118 PHE A CE2 1 ATOM 679 C CZ . PHE A 1 87 ? 18.564 -29.922 9.460 1.00 34.84 ? 118 PHE A CZ 1 ATOM 680 N N . ARG A 1 88 ? 19.603 -34.992 4.557 1.00 48.00 ? 119 ARG A N 1 ATOM 681 C CA . ARG A 1 88 ? 19.398 -35.406 3.167 1.00 48.59 ? 119 ARG A CA 1 ATOM 682 C C . ARG A 1 88 ? 17.980 -35.036 2.742 1.00 47.95 ? 119 ARG A C 1 ATOM 683 O O . ARG A 1 88 ? 17.089 -34.880 3.577 1.00 47.98 ? 119 ARG A O 1 ATOM 684 C CB . ARG A 1 88 ? 19.725 -36.893 2.937 1.00 51.71 ? 119 ARG A CB 1 ATOM 685 C CG . ARG A 1 88 ? 18.779 -37.921 3.562 1.00 54.39 ? 119 ARG A CG 1 ATOM 686 C CD . ARG A 1 88 ? 18.671 -39.176 2.683 1.00 58.02 ? 119 ARG A CD 1 ATOM 687 N NE . ARG A 1 88 ? 17.876 -40.265 3.265 1.00 60.57 ? 119 ARG A NE 1 ATOM 688 C CZ . ARG A 1 88 ? 17.528 -41.387 2.616 1.00 64.65 ? 119 ARG A CZ 1 ATOM 689 N NH1 . ARG A 1 88 ? 17.880 -41.581 1.340 1.00 66.28 ? 119 ARG A NH1 1 ATOM 690 N NH2 . ARG A 1 88 ? 16.815 -42.330 3.243 1.00 67.06 ? 119 ARG A NH2 1 ATOM 691 N N . GLY A 1 89 ? 17.796 -34.856 1.440 1.00 47.94 ? 120 GLY A N 1 ATOM 692 C CA . GLY A 1 89 ? 16.506 -34.431 0.869 1.00 47.66 ? 120 GLY A CA 1 ATOM 693 C C . GLY A 1 89 ? 16.017 -33.046 1.293 1.00 45.08 ? 120 GLY A C 1 ATOM 694 O O . GLY A 1 89 ? 14.839 -32.873 1.652 1.00 45.46 ? 120 GLY A O 1 ATOM 695 N N . LEU A 1 90 ? 16.915 -32.065 1.220 1.00 42.85 ? 121 LEU A N 1 ATOM 696 C CA . LEU A 1 90 ? 16.618 -30.726 1.694 1.00 41.62 ? 121 LEU A CA 1 ATOM 697 C C . LEU A 1 90 ? 15.328 -30.171 1.112 1.00 42.14 ? 121 LEU A C 1 ATOM 698 O O . LEU A 1 90 ? 15.043 -30.293 -0.096 1.00 42.27 ? 121 LEU A O 1 ATOM 699 C CB . LEU A 1 90 ? 17.763 -29.749 1.407 1.00 40.10 ? 121 LEU A CB 1 ATOM 700 C CG . LEU A 1 90 ? 18.967 -29.767 2.351 1.00 40.30 ? 121 LEU A CG 1 ATOM 701 C CD1 . LEU A 1 90 ? 20.029 -28.799 1.840 1.00 39.55 ? 121 LEU A CD1 1 ATOM 702 C CD2 . LEU A 1 90 ? 18.565 -29.393 3.766 1.00 40.32 ? 121 LEU A CD2 1 ATOM 703 N N . ARG A 1 91 ? 14.543 -29.588 2.008 1.00 42.46 ? 122 ARG A N 1 ATOM 704 C CA . ARG A 1 91 ? 13.381 -28.829 1.644 1.00 43.17 ? 122 ARG A CA 1 ATOM 705 C C . ARG A 1 91 ? 13.734 -27.410 1.983 1.00 41.33 ? 122 ARG A C 1 ATOM 706 O O . ARG A 1 91 ? 14.701 -27.135 2.689 1.00 39.69 ? 122 ARG A O 1 ATOM 707 C CB . ARG A 1 91 ? 12.135 -29.268 2.441 1.00 46.43 ? 122 ARG A CB 1 ATOM 708 C CG . ARG A 1 91 ? 12.106 -30.754 2.817 1.00 49.16 ? 122 ARG A CG 1 ATOM 709 C CD . ARG A 1 91 ? 11.111 -31.090 3.939 1.00 52.00 ? 122 ARG A CD 1 ATOM 710 N NE . ARG A 1 91 ? 10.712 -32.523 3.910 1.00 55.16 ? 122 ARG A NE 1 ATOM 711 C CZ . ARG A 1 91 ? 9.983 -33.141 4.858 1.00 57.92 ? 122 ARG A CZ 1 ATOM 712 N NH1 . ARG A 1 91 ? 9.553 -32.467 5.932 1.00 58.88 ? 122 ARG A NH1 1 ATOM 713 N NH2 . ARG A 1 91 ? 9.674 -34.434 4.733 1.00 59.70 ? 122 ARG A NH2 1 ATOM 714 N N . VAL A 1 92 ? 12.925 -26.500 1.479 1.00 41.73 ? 123 VAL A N 1 ATOM 715 C CA . VAL A 1 92 ? 13.083 -25.108 1.807 1.00 40.62 ? 123 VAL A CA 1 ATOM 716 C C . VAL A 1 92 ? 13.004 -24.961 3.308 1.00 42.28 ? 123 VAL A C 1 ATOM 717 O O . VAL A 1 92 ? 13.783 -24.243 3.894 1.00 42.68 ? 123 VAL A O 1 ATOM 718 C CB . VAL A 1 92 ? 11.985 -24.240 1.199 1.00 40.72 ? 123 VAL A CB 1 ATOM 719 C CG1 . VAL A 1 92 ? 12.381 -22.813 1.380 1.00 39.97 ? 123 VAL A CG1 1 ATOM 720 C CG2 . VAL A 1 92 ? 11.768 -24.560 -0.276 1.00 40.45 ? 123 VAL A CG2 1 ATOM 721 N N . GLU A 1 93 ? 12.076 -25.672 3.942 1.00 44.27 ? 124 GLU A N 1 ATOM 722 C CA . GLU A 1 93 ? 11.819 -25.472 5.372 1.00 45.80 ? 124 GLU A CA 1 ATOM 723 C C . GLU A 1 93 ? 12.917 -25.977 6.293 1.00 45.18 ? 124 GLU A C 1 ATOM 724 O O . GLU A 1 93 ? 12.824 -25.790 7.508 1.00 46.74 ? 124 GLU A O 1 ATOM 725 C CB . GLU A 1 93 ? 10.511 -26.122 5.790 1.00 48.32 ? 124 GLU A CB 1 ATOM 726 C CG . GLU A 1 93 ? 9.284 -25.544 5.115 1.00 49.29 ? 124 GLU A CG 1 ATOM 727 C CD . GLU A 1 93 ? 8.945 -26.276 3.868 1.00 48.51 ? 124 GLU A CD 1 ATOM 728 O OE1 . GLU A 1 93 ? 7.859 -25.996 3.314 1.00 50.26 ? 124 GLU A OE1 1 ATOM 729 O OE2 . GLU A 1 93 ? 9.771 -27.132 3.467 1.00 46.67 ? 124 GLU A OE2 1 ATOM 730 N N . ASP A 1 94 ? 13.932 -26.624 5.725 1.00 43.39 ? 125 ASP A N 1 ATOM 731 C CA . ASP A 1 94 ? 15.124 -27.036 6.475 1.00 43.20 ? 125 ASP A CA 1 ATOM 732 C C . ASP A 1 94 ? 16.114 -25.864 6.637 1.00 42.70 ? 125 ASP A C 1 ATOM 733 O O . ASP A 1 94 ? 17.090 -25.959 7.378 1.00 42.78 ? 125 ASP A O 1 ATOM 734 C CB . ASP A 1 94 ? 15.814 -28.189 5.772 1.00 42.62 ? 125 ASP A CB 1 ATOM 735 C CG . ASP A 1 94 ? 14.928 -29.420 5.654 1.00 43.95 ? 125 ASP A CG 1 ATOM 736 O OD1 . ASP A 1 94 ? 14.100 -29.711 6.557 1.00 45.28 ? 125 ASP A OD1 1 ATOM 737 O OD2 . ASP A 1 94 ? 15.073 -30.109 4.626 1.00 43.88 ? 125 ASP A OD2 1 ATOM 738 N N . GLU A 1 95 ? 15.865 -24.782 5.901 1.00 41.86 ? 126 GLU A N 1 ATOM 739 C CA . GLU A 1 95 ? 16.489 -23.491 6.135 1.00 41.83 ? 126 GLU A CA 1 ATOM 740 C C . GLU A 1 95 ? 16.385 -23.154 7.617 1.00 43.57 ? 126 GLU A C 1 ATOM 741 O O . GLU A 1 95 ? 15.401 -23.477 8.273 1.00 44.60 ? 126 GLU A O 1 ATOM 742 C CB . GLU A 1 95 ? 15.791 -22.433 5.248 1.00 41.91 ? 126 GLU A CB 1 ATOM 743 C CG . GLU A 1 95 ? 16.207 -20.961 5.403 1.00 43.42 ? 126 GLU A CG 1 ATOM 744 C CD . GLU A 1 95 ? 17.197 -20.448 4.358 1.00 42.31 ? 126 GLU A CD 1 ATOM 745 O OE1 . GLU A 1 95 ? 17.873 -19.411 4.656 1.00 43.75 ? 126 GLU A OE1 1 ATOM 746 O OE2 . GLU A 1 95 ? 17.301 -21.060 3.257 1.00 40.06 ? 126 GLU A OE2 1 ATOM 747 N N . GLY A 1 96 ? 17.429 -22.545 8.155 1.00 44.84 ? 127 GLY A N 1 ATOM 748 C CA . GLY A 1 96 ? 17.368 -21.995 9.502 1.00 47.87 ? 127 GLY A CA 1 ATOM 749 C C . GLY A 1 96 ? 18.701 -21.784 10.194 1.00 49.87 ? 127 GLY A C 1 ATOM 750 O O . GLY A 1 96 ? 19.748 -22.247 9.723 1.00 48.39 ? 127 GLY A O 1 ATOM 751 N N . ASN A 1 97 ? 18.644 -21.062 11.313 1.00 53.66 ? 128 ASN A N 1 ATOM 752 C CA . ASN A 1 97 ? 19.770 -20.925 12.238 1.00 56.72 ? 128 ASN A CA 1 ATOM 753 C C . ASN A 1 97 ? 19.774 -21.984 13.344 1.00 56.80 ? 128 ASN A C 1 ATOM 754 O O . ASN A 1 97 ? 19.035 -21.893 14.343 1.00 58.30 ? 128 ASN A O 1 ATOM 755 C CB . ASN A 1 97 ? 19.789 -19.534 12.853 1.00 61.58 ? 128 ASN A CB 1 ATOM 756 C CG . ASN A 1 97 ? 20.382 -18.532 11.931 1.00 63.94 ? 128 ASN A CG 1 ATOM 757 O OD1 . ASN A 1 97 ? 21.367 -18.825 11.274 1.00 62.43 ? 128 ASN A OD1 1 ATOM 758 N ND2 . ASN A 1 97 ? 19.792 -17.356 11.855 1.00 70.16 ? 128 ASN A ND2 1 ATOM 759 N N . TYR A 1 98 ? 20.644 -22.969 13.166 1.00 54.76 ? 129 TYR A N 1 ATOM 760 C CA . TYR A 1 98 ? 20.622 -24.136 13.985 1.00 54.93 ? 129 TYR A CA 1 ATOM 761 C C . TYR A 1 98 ? 21.655 -24.029 15.051 1.00 58.20 ? 129 TYR A C 1 ATOM 762 O O . TYR A 1 98 ? 22.813 -23.751 14.762 1.00 59.32 ? 129 TYR A O 1 ATOM 763 C CB . TYR A 1 98 ? 20.868 -25.377 13.146 1.00 52.49 ? 129 TYR A CB 1 ATOM 764 C CG . TYR A 1 98 ? 19.664 -25.771 12.330 1.00 50.02 ? 129 TYR A CG 1 ATOM 765 C CD1 . TYR A 1 98 ? 18.639 -26.512 12.888 1.00 50.31 ? 129 TYR A CD1 1 ATOM 766 C CD2 . TYR A 1 98 ? 19.550 -25.394 11.017 1.00 47.97 ? 129 TYR A CD2 1 ATOM 767 C CE1 . TYR A 1 98 ? 17.531 -26.865 12.147 1.00 49.16 ? 129 TYR A CE1 1 ATOM 768 C CE2 . TYR A 1 98 ? 18.453 -25.745 10.264 1.00 46.48 ? 129 TYR A CE2 1 ATOM 769 C CZ . TYR A 1 98 ? 17.438 -26.483 10.834 1.00 47.25 ? 129 TYR A CZ 1 ATOM 770 O OH . TYR A 1 98 ? 16.317 -26.852 10.110 1.00 46.59 ? 129 TYR A OH 1 ATOM 771 N N . THR A 1 99 ? 21.224 -24.258 16.292 1.00 60.50 ? 130 THR A N 1 ATOM 772 C CA . THR A 1 99 ? 22.088 -24.149 17.456 1.00 63.95 ? 130 THR A CA 1 ATOM 773 C C . THR A 1 99 ? 22.531 -25.506 17.910 1.00 63.68 ? 130 THR A C 1 ATOM 774 O O . THR A 1 99 ? 21.710 -26.350 18.241 1.00 62.80 ? 130 THR A O 1 ATOM 775 C CB . THR A 1 99 ? 21.385 -23.491 18.636 1.00 67.26 ? 130 THR A CB 1 ATOM 776 O OG1 . THR A 1 99 ? 20.858 -22.210 18.241 1.00 68.28 ? 130 THR A OG1 1 ATOM 777 C CG2 . THR A 1 99 ? 22.389 -23.341 19.785 1.00 71.58 ? 130 THR A CG2 1 ATOM 778 N N . CYS A 1 100 ? 23.839 -25.707 17.924 1.00 65.31 ? 131 CYS A N 1 ATOM 779 C CA . CYS A 1 100 ? 24.432 -26.951 18.359 1.00 65.52 ? 131 CYS A CA 1 ATOM 780 C C . CYS A 1 100 ? 24.785 -26.731 19.787 1.00 69.60 ? 131 CYS A C 1 ATOM 781 O O . CYS A 1 100 ? 25.600 -25.890 20.055 1.00 73.30 ? 131 CYS A O 1 ATOM 782 C CB . CYS A 1 100 ? 25.710 -27.231 17.571 1.00 65.62 ? 131 CYS A CB 1 ATOM 783 S SG . CYS A 1 100 ? 26.395 -28.863 17.905 1.00 67.09 ? 131 CYS A SG 1 ATOM 784 N N . GLU A 1 101 ? 24.188 -27.482 20.701 1.00 70.05 ? 132 GLU A N 1 ATOM 785 C CA . GLU A 1 101 ? 24.405 -27.265 22.131 1.00 74.47 ? 132 GLU A CA 1 ATOM 786 C C . GLU A 1 101 ? 24.879 -28.524 22.844 1.00 75.24 ? 132 GLU A C 1 ATOM 787 O O . GLU A 1 101 ? 24.260 -29.577 22.759 1.00 72.71 ? 132 GLU A O 1 ATOM 788 C CB . GLU A 1 101 ? 23.119 -26.735 22.781 1.00 75.73 ? 132 GLU A CB 1 ATOM 789 C CG . GLU A 1 101 ? 23.220 -26.416 24.281 1.00 80.74 ? 132 GLU A CG 1 ATOM 790 C CD . GLU A 1 101 ? 22.218 -25.367 24.732 1.00 82.72 ? 132 GLU A CD 1 ATOM 791 O OE1 . GLU A 1 101 ? 21.234 -25.116 24.003 1.00 79.77 ? 132 GLU A OE1 1 ATOM 792 O OE2 . GLU A 1 101 ? 22.430 -24.777 25.809 1.00 87.29 ? 132 GLU A OE2 1 ATOM 793 N N . PHE A 1 102 ? 25.998 -28.398 23.539 1.00 79.40 ? 133 PHE A N 1 ATOM 794 C CA . PHE A 1 102 ? 26.515 -29.465 24.398 1.00 81.42 ? 133 PHE A CA 1 ATOM 795 C C . PHE A 1 102 ? 26.212 -29.198 25.859 1.00 85.16 ? 133 PHE A C 1 ATOM 796 O O . PHE A 1 102 ? 26.607 -28.165 26.391 1.00 88.94 ? 133 PHE A O 1 ATOM 797 C CB . PHE A 1 102 ? 28.030 -29.570 24.252 1.00 84.11 ? 133 PHE A CB 1 ATOM 798 C CG . PHE A 1 102 ? 28.477 -30.132 22.939 1.00 80.80 ? 133 PHE A CG 1 ATOM 799 C CD1 . PHE A 1 102 ? 28.669 -31.498 22.802 1.00 79.65 ? 133 PHE A CD1 1 ATOM 800 C CD2 . PHE A 1 102 ? 28.721 -29.304 21.855 1.00 79.07 ? 133 PHE A CD2 1 ATOM 801 C CE1 . PHE A 1 102 ? 29.092 -32.031 21.611 1.00 77.62 ? 133 PHE A CE1 1 ATOM 802 C CE2 . PHE A 1 102 ? 29.147 -29.834 20.660 1.00 76.97 ? 133 PHE A CE2 1 ATOM 803 C CZ . PHE A 1 102 ? 29.332 -31.199 20.536 1.00 76.42 ? 133 PHE A CZ 1 ATOM 804 N N . ALA A 1 103 ? 25.523 -30.135 26.502 1.00 84.67 ? 134 ALA A N 1 ATOM 805 C CA . ALA A 1 103 ? 25.306 -30.080 27.953 1.00 89.00 ? 134 ALA A CA 1 ATOM 806 C C . ALA A 1 103 ? 26.448 -30.776 28.706 1.00 92.67 ? 134 ALA A C 1 ATOM 807 O O . ALA A 1 103 ? 26.700 -31.953 28.498 1.00 90.99 ? 134 ALA A O 1 ATOM 808 C CB . ALA A 1 103 ? 23.957 -30.689 28.319 1.00 86.72 ? 134 ALA A CB 1 ATOM 809 N N . THR A 1 104 ? 27.135 -30.031 29.571 1.00 98.33 ? 135 THR A N 1 ATOM 810 C CA . THR A 1 104 ? 28.276 -30.554 30.343 1.00 103.34 ? 135 THR A CA 1 ATOM 811 C C . THR A 1 104 ? 28.041 -30.466 31.864 1.00 108.38 ? 135 THR A C 1 ATOM 812 O O . THR A 1 104 ? 27.393 -29.525 32.342 1.00 110.53 ? 135 THR A O 1 ATOM 813 C CB . THR A 1 104 ? 29.574 -29.823 29.966 1.00 106.93 ? 135 THR A CB 1 ATOM 814 O OG1 . THR A 1 104 ? 29.478 -28.441 30.326 1.00 110.81 ? 135 THR A OG1 1 ATOM 815 C CG2 . THR A 1 104 ? 29.815 -29.926 28.483 1.00 102.34 ? 135 THR A CG2 1 ATOM 816 N N . ASP A 1 105 ? 28.576 -31.439 32.613 1.00 111.00 ? 136 ASP A N 1 ATOM 817 C CA . ASP A 1 105 ? 28.165 -31.639 34.012 1.00 114.97 ? 136 ASP A CA 1 ATOM 818 C C . ASP A 1 105 ? 29.050 -30.915 35.028 1.00 122.78 ? 136 ASP A C 1 ATOM 819 O O . ASP A 1 105 ? 30.273 -30.856 34.868 1.00 126.15 ? 136 ASP A O 1 ATOM 820 C CB . ASP A 1 105 ? 28.021 -33.142 34.385 1.00 113.43 ? 136 ASP A CB 1 ATOM 821 C CG . ASP A 1 105 ? 29.372 -33.865 34.610 1.00 116.54 ? 136 ASP A CG 1 ATOM 822 O OD1 . ASP A 1 105 ? 30.452 -33.272 34.386 1.00 119.92 ? 136 ASP A OD1 1 ATOM 823 O OD2 . ASP A 1 105 ? 29.345 -35.051 35.019 1.00 115.58 ? 136 ASP A OD2 1 ATOM 824 N N . PRO A 1 106 ? 28.425 -30.322 36.058 1.00 126.51 ? 137 PRO A N 1 ATOM 825 C CA . PRO A 1 106 ? 26.981 -30.095 36.150 1.00 123.96 ? 137 PRO A CA 1 ATOM 826 C C . PRO A 1 106 ? 26.566 -28.777 35.502 1.00 123.82 ? 137 PRO A C 1 ATOM 827 O O . PRO A 1 106 ? 25.381 -28.575 35.238 1.00 121.13 ? 137 PRO A O 1 ATOM 828 C CB . PRO A 1 106 ? 26.729 -30.055 37.654 1.00 129.45 ? 137 PRO A CB 1 ATOM 829 C CG . PRO A 1 106 ? 28.007 -29.549 38.238 1.00 135.95 ? 137 PRO A CG 1 ATOM 830 C CD . PRO A 1 106 ? 29.119 -29.971 37.311 1.00 134.09 ? 137 PRO A CD 1 ATOM 831 N N . ASN A 1 107 ? 27.537 -27.898 35.239 1.00 127.22 ? 138 ASN A N 1 ATOM 832 C CA . ASN A 1 107 ? 27.257 -26.594 34.644 1.00 127.49 ? 138 ASN A CA 1 ATOM 833 C C . ASN A 1 107 ? 28.481 -25.945 33.963 1.00 129.35 ? 138 ASN A C 1 ATOM 834 O O . ASN A 1 107 ? 29.636 -26.237 34.305 1.00 132.97 ? 138 ASN A O 1 ATOM 835 C CB . ASN A 1 107 ? 26.676 -25.642 35.706 1.00 132.75 ? 138 ASN A CB 1 ATOM 836 C CG . ASN A 1 107 ? 25.152 -25.679 35.767 1.00 129.75 ? 138 ASN A CG 1 ATOM 837 O OD1 . ASN A 1 107 ? 24.474 -25.552 34.740 1.00 124.61 ? 138 ASN A OD1 1 ATOM 838 N ND2 . ASN A 1 107 ? 24.607 -25.841 36.975 1.00 132.62 ? 138 ASN A ND2 1 ATOM 839 N N . GLY A 1 108 ? 28.232 -25.097 32.970 1.00 126.67 ? 139 GLY A N 1 ATOM 840 C CA . GLY A 1 108 ? 26.923 -24.937 32.330 1.00 121.01 ? 139 GLY A CA 1 ATOM 841 C C . GLY A 1 108 ? 27.132 -25.360 30.896 1.00 114.42 ? 139 GLY A C 1 ATOM 842 O O . GLY A 1 108 ? 28.254 -25.704 30.522 1.00 115.23 ? 139 GLY A O 1 ATOM 843 N N . THR A 1 109 ? 26.081 -25.324 30.084 1.00 108.46 ? 140 THR A N 1 ATOM 844 C CA . THR A 1 109 ? 26.193 -25.763 28.684 1.00 102.56 ? 140 THR A CA 1 ATOM 845 C C . THR A 1 109 ? 26.865 -24.731 27.764 1.00 102.57 ? 140 THR A C 1 ATOM 846 O O . THR A 1 109 ? 26.924 -23.550 28.091 1.00 106.65 ? 140 THR A O 1 ATOM 847 C CB . THR A 1 109 ? 24.819 -26.189 28.102 1.00 97.46 ? 140 THR A CB 1 ATOM 848 O OG1 . THR A 1 109 ? 24.014 -25.039 27.817 1.00 97.53 ? 140 THR A OG1 1 ATOM 849 C CG2 . THR A 1 109 ? 24.066 -27.115 29.088 1.00 97.51 ? 140 THR A CG2 1 ATOM 850 N N . ARG A 1 110 ? 27.374 -25.210 26.625 1.00 98.47 ? 141 ARG A N 1 ATOM 851 C CA . ARG A 1 110 ? 28.057 -24.380 25.614 1.00 98.46 ? 141 ARG A CA 1 ATOM 852 C C . ARG A 1 110 ? 27.535 -24.696 24.223 1.00 91.69 ? 141 ARG A C 1 ATOM 853 O O . ARG A 1 110 ? 27.105 -25.816 23.974 1.00 87.30 ? 141 ARG A O 1 ATOM 854 C CB . ARG A 1 110 ? 29.566 -24.613 25.674 1.00 102.13 ? 141 ARG A CB 1 ATOM 855 C CG . ARG A 1 110 ? 30.232 -23.720 26.701 1.00 109.54 ? 141 ARG A CG 1 ATOM 856 C CD . ARG A 1 110 ? 31.555 -24.236 27.247 1.00 114.22 ? 141 ARG A CD 1 ATOM 857 N NE . ARG A 1 110 ? 31.464 -24.605 28.660 1.00 117.94 ? 141 ARG A NE 1 ATOM 858 C CZ . ARG A 1 110 ? 30.824 -23.905 29.596 1.00 121.35 ? 141 ARG A CZ 1 ATOM 859 N NH1 . ARG A 1 110 ? 30.219 -22.754 29.300 1.00 121.54 ? 141 ARG A NH1 1 ATOM 860 N NH2 . ARG A 1 110 ? 30.797 -24.350 30.851 1.00 125.10 ? 141 ARG A NH2 1 ATOM 861 N N . ARG A 1 111 ? 27.575 -23.715 23.319 1.00 90.90 ? 142 ARG A N 1 ATOM 862 C CA . ARG A 1 111 ? 26.917 -23.872 22.007 1.00 85.43 ? 142 ARG A CA 1 ATOM 863 C C . ARG A 1 111 ? 27.368 -22.949 20.832 1.00 84.34 ? 142 ARG A C 1 ATOM 864 O O . ARG A 1 111 ? 27.799 -21.811 21.029 1.00 88.24 ? 142 ARG A O 1 ATOM 865 C CB . ARG A 1 111 ? 25.385 -23.787 22.175 1.00 83.22 ? 142 ARG A CB 1 ATOM 866 C CG . ARG A 1 111 ? 24.855 -22.374 22.306 1.00 85.94 ? 142 ARG A CG 1 ATOM 867 C CD . ARG A 1 111 ? 24.295 -22.123 23.695 1.00 90.29 ? 142 ARG A CD 1 ATOM 868 N NE . ARG A 1 111 ? 24.858 -20.913 24.287 1.00 96.73 ? 142 ARG A NE 1 ATOM 869 C CZ . ARG A 1 111 ? 24.798 -20.615 25.588 1.00 102.89 ? 142 ARG A CZ 1 ATOM 870 N NH1 . ARG A 1 111 ? 24.182 -21.424 26.446 1.00 102.83 ? 142 ARG A NH1 1 ATOM 871 N NH2 . ARG A 1 111 ? 25.346 -19.493 26.046 1.00 109.14 ? 142 ARG A NH2 1 ATOM 872 N N . GLY A 1 112 ? 27.212 -23.471 19.611 1.00 79.15 ? 143 GLY A N 1 ATOM 873 C CA . GLY A 1 112 ? 27.562 -22.769 18.370 1.00 77.57 ? 143 GLY A CA 1 ATOM 874 C C . GLY A 1 112 ? 26.345 -22.648 17.453 1.00 72.86 ? 143 GLY A C 1 ATOM 875 O O . GLY A 1 112 ? 25.387 -23.430 17.570 1.00 69.93 ? 143 GLY A O 1 ATOM 876 N N . VAL A 1 113 ? 26.366 -21.673 16.539 1.00 71.91 ? 144 VAL A N 1 ATOM 877 C CA . VAL A 1 113 ? 25.251 -21.507 15.590 1.00 67.68 ? 144 VAL A CA 1 ATOM 878 C C . VAL A 1 113 ? 25.661 -21.538 14.090 1.00 64.75 ? 144 VAL A C 1 ATOM 879 O O . VAL A 1 113 ? 26.537 -20.780 13.637 1.00 66.31 ? 144 VAL A O 1 ATOM 880 C CB . VAL A 1 113 ? 24.449 -20.237 15.904 1.00 69.36 ? 144 VAL A CB 1 ATOM 881 C CG1 . VAL A 1 113 ? 25.306 -18.999 15.693 1.00 72.58 ? 144 VAL A CG1 1 ATOM 882 C CG2 . VAL A 1 113 ? 23.189 -20.196 15.057 1.00 65.69 ? 144 VAL A CG2 1 ATOM 883 N N . THR A 1 114 ? 25.015 -22.432 13.339 1.00 60.59 ? 145 THR A N 1 ATOM 884 C CA . THR A 1 114 ? 25.229 -22.561 11.896 1.00 57.61 ? 145 THR A CA 1 ATOM 885 C C . THR A 1 114 ? 23.998 -22.032 11.176 1.00 55.40 ? 145 THR A C 1 ATOM 886 O O . THR A 1 114 ? 22.865 -22.372 11.540 1.00 54.91 ? 145 THR A O 1 ATOM 887 C CB . THR A 1 114 ? 25.425 -24.030 11.461 1.00 54.97 ? 145 THR A CB 1 ATOM 888 O OG1 . THR A 1 114 ? 26.657 -24.532 11.962 1.00 57.73 ? 145 THR A OG1 1 ATOM 889 C CG2 . THR A 1 114 ? 25.482 -24.128 9.979 1.00 52.37 ? 145 THR A CG2 1 ATOM 890 N N . TRP A 1 115 ? 24.205 -21.198 10.162 1.00 54.24 ? 146 TRP A N 1 ATOM 891 C CA . TRP A 1 115 ? 23.105 -20.792 9.325 1.00 51.56 ? 146 TRP A CA 1 ATOM 892 C C . TRP A 1 115 ? 23.004 -21.759 8.172 1.00 48.53 ? 146 TRP A C 1 ATOM 893 O O . TRP A 1 115 ? 23.884 -21.813 7.300 1.00 47.82 ? 146 TRP A O 1 ATOM 894 C CB . TRP A 1 115 ? 23.285 -19.361 8.861 1.00 52.74 ? 146 TRP A CB 1 ATOM 895 C CG . TRP A 1 115 ? 22.157 -18.838 7.999 1.00 50.46 ? 146 TRP A CG 1 ATOM 896 C CD1 . TRP A 1 115 ? 20.935 -19.444 7.728 1.00 48.05 ? 146 TRP A CD1 1 ATOM 897 C CD2 . TRP A 1 115 ? 22.118 -17.565 7.280 1.00 51.04 ? 146 TRP A CD2 1 ATOM 898 N NE1 . TRP A 1 115 ? 20.182 -18.675 6.886 1.00 47.25 ? 146 TRP A NE1 1 ATOM 899 C CE2 . TRP A 1 115 ? 20.833 -17.521 6.593 1.00 48.96 ? 146 TRP A CE2 1 ATOM 900 C CE3 . TRP A 1 115 ? 22.994 -16.495 7.137 1.00 53.29 ? 146 TRP A CE3 1 ATOM 901 C CZ2 . TRP A 1 115 ? 20.457 -16.438 5.811 1.00 48.93 ? 146 TRP A CZ2 1 ATOM 902 C CZ3 . TRP A 1 115 ? 22.603 -15.418 6.342 1.00 53.03 ? 146 TRP A CZ3 1 ATOM 903 C CH2 . TRP A 1 115 ? 21.364 -15.390 5.698 1.00 50.68 ? 146 TRP A CH2 1 ATOM 904 N N . LEU A 1 116 ? 21.927 -22.548 8.173 1.00 46.62 ? 147 LEU A N 1 ATOM 905 C CA . LEU A 1 116 ? 21.650 -23.474 7.075 1.00 44.13 ? 147 LEU A CA 1 ATOM 906 C C . LEU A 1 116 ? 20.787 -22.823 5.997 1.00 42.52 ? 147 LEU A C 1 ATOM 907 O O . LEU A 1 116 ? 19.617 -22.533 6.234 1.00 42.26 ? 147 LEU A O 1 ATOM 908 C CB . LEU A 1 116 ? 20.971 -24.741 7.602 1.00 43.76 ? 147 LEU A CB 1 ATOM 909 C CG . LEU A 1 116 ? 20.470 -25.751 6.565 1.00 41.73 ? 147 LEU A CG 1 ATOM 910 C CD1 . LEU A 1 116 ? 21.499 -25.968 5.471 1.00 41.32 ? 147 LEU A CD1 1 ATOM 911 C CD2 . LEU A 1 116 ? 20.140 -27.066 7.226 1.00 42.02 ? 147 LEU A CD2 1 ATOM 912 N N . ARG A 1 117 ? 21.380 -22.600 4.819 1.00 41.85 ? 148 ARG A N 1 ATOM 913 C CA . ARG A 1 117 ? 20.678 -21.977 3.675 1.00 40.66 ? 148 ARG A CA 1 ATOM 914 C C . ARG A 1 117 ? 20.490 -22.945 2.527 1.00 39.34 ? 148 ARG A C 1 ATOM 915 O O . ARG A 1 117 ? 21.462 -23.554 2.039 1.00 39.53 ? 148 ARG A O 1 ATOM 916 C CB . ARG A 1 117 ? 21.432 -20.773 3.124 1.00 40.90 ? 148 ARG A CB 1 ATOM 917 C CG . ARG A 1 117 ? 21.848 -19.773 4.172 1.00 43.42 ? 148 ARG A CG 1 ATOM 918 C CD . ARG A 1 117 ? 22.867 -18.809 3.601 1.00 44.68 ? 148 ARG A CD 1 ATOM 919 N NE . ARG A 1 117 ? 22.239 -17.639 3.015 1.00 44.34 ? 148 ARG A NE 1 ATOM 920 C CZ . ARG A 1 117 ? 22.262 -17.319 1.729 1.00 42.53 ? 148 ARG A CZ 1 ATOM 921 N NH1 . ARG A 1 117 ? 22.891 -18.072 0.838 1.00 40.67 ? 148 ARG A NH1 1 ATOM 922 N NH2 . ARG A 1 117 ? 21.645 -16.212 1.342 1.00 43.10 ? 148 ARG A NH2 1 ATOM 923 N N . VAL A 1 118 ? 19.239 -23.042 2.073 1.00 38.62 ? 149 VAL A N 1 ATOM 924 C CA . VAL A 1 118 ? 18.859 -23.914 0.953 1.00 37.23 ? 149 VAL A CA 1 ATOM 925 C C . VAL A 1 118 ? 18.791 -23.135 -0.371 1.00 35.89 ? 149 VAL A C 1 ATOM 926 O O . VAL A 1 118 ? 17.983 -22.223 -0.507 1.00 36.56 ? 149 VAL A O 1 ATOM 927 C CB . VAL A 1 118 ? 17.496 -24.571 1.251 1.00 37.48 ? 149 VAL A CB 1 ATOM 928 C CG1 . VAL A 1 118 ? 17.105 -25.538 0.141 1.00 36.89 ? 149 VAL A CG1 1 ATOM 929 C CG2 . VAL A 1 118 ? 17.539 -25.264 2.612 1.00 38.31 ? 149 VAL A CG2 1 ATOM 930 N N . ILE A 1 119 ? 19.600 -23.517 -1.352 1.00 34.98 ? 150 ILE A N 1 ATOM 931 C CA . ILE A 1 119 ? 19.696 -22.763 -2.626 1.00 34.47 ? 150 ILE A CA 1 ATOM 932 C C . ILE A 1 119 ? 19.033 -23.485 -3.796 1.00 33.66 ? 150 ILE A C 1 ATOM 933 O O . ILE A 1 119 ? 19.207 -24.680 -3.971 1.00 34.35 ? 150 ILE A O 1 ATOM 934 C CB . ILE A 1 119 ? 21.171 -22.471 -2.996 1.00 35.08 ? 150 ILE A CB 1 ATOM 935 C CG1 . ILE A 1 119 ? 21.742 -21.468 -2.013 1.00 36.04 ? 150 ILE A CG1 1 ATOM 936 C CG2 . ILE A 1 119 ? 21.306 -21.969 -4.433 1.00 34.51 ? 150 ILE A CG2 1 ATOM 937 C CD1 . ILE A 1 119 ? 22.329 -22.152 -0.806 1.00 37.67 ? 150 ILE A CD1 1 ATOM 938 N N . ALA A 1 120 ? 18.288 -22.759 -4.606 1.00 32.76 ? 151 ALA A N 1 ATOM 939 C CA . ALA A 1 120 ? 17.707 -23.352 -5.790 1.00 33.36 ? 151 ALA A CA 1 ATOM 940 C C . ALA A 1 120 ? 18.217 -22.666 -7.079 1.00 33.72 ? 151 ALA A C 1 ATOM 941 O O . ALA A 1 120 ? 18.078 -21.450 -7.259 1.00 34.18 ? 151 ALA A O 1 ATOM 942 C CB . ALA A 1 120 ? 16.200 -23.319 -5.705 1.00 33.72 ? 151 ALA A CB 1 ATOM 943 N N . GLN A 1 121 ? 18.818 -23.460 -7.964 1.00 34.32 ? 152 GLN A N 1 ATOM 944 C CA . GLN A 1 121 ? 19.323 -22.978 -9.245 1.00 33.96 ? 152 GLN A CA 1 ATOM 945 C C . GLN A 1 121 ? 18.167 -22.638 -10.189 1.00 34.29 ? 152 GLN A C 1 ATOM 946 O O . GLN A 1 121 ? 17.308 -23.480 -10.427 1.00 35.63 ? 152 GLN A O 1 ATOM 947 C CB . GLN A 1 121 ? 20.186 -24.051 -9.877 1.00 35.01 ? 152 GLN A CB 1 ATOM 948 C CG . GLN A 1 121 ? 20.586 -23.752 -11.303 1.00 35.34 ? 152 GLN A CG 1 ATOM 949 C CD . GLN A 1 121 ? 21.680 -24.662 -11.779 1.00 37.12 ? 152 GLN A CD 1 ATOM 950 O OE1 . GLN A 1 121 ? 21.706 -25.054 -12.945 1.00 38.41 ? 152 GLN A OE1 1 ATOM 951 N NE2 . GLN A 1 121 ? 22.588 -25.020 -10.881 1.00 37.58 ? 152 GLN A NE2 1 ATOM 952 N N . PRO A 1 122 ? 18.140 -21.401 -10.722 1.00 33.56 ? 153 PRO A N 1 ATOM 953 C CA . PRO A 1 122 ? 17.076 -21.006 -11.590 1.00 34.01 ? 153 PRO A CA 1 ATOM 954 C C . PRO A 1 122 ? 17.308 -21.440 -12.998 1.00 35.30 ? 153 PRO A C 1 ATOM 955 O O . PRO A 1 122 ? 18.414 -21.807 -13.367 1.00 35.08 ? 153 PRO A O 1 ATOM 956 C CB . PRO A 1 122 ? 17.133 -19.485 -11.537 1.00 33.44 ? 153 PRO A CB 1 ATOM 957 C CG . PRO A 1 122 ? 18.551 -19.168 -11.307 1.00 32.61 ? 153 PRO A CG 1 ATOM 958 C CD . PRO A 1 122 ? 19.046 -20.276 -10.431 1.00 33.21 ? 153 PRO A CD 1 ATOM 959 N N . GLU A 1 123 ? 16.235 -21.379 -13.771 1.00 37.18 ? 154 GLU A N 1 ATOM 960 C CA . GLU A 1 123 ? 16.294 -21.520 -15.188 1.00 38.58 ? 154 GLU A CA 1 ATOM 961 C C . GLU A 1 123 ? 16.175 -20.124 -15.826 1.00 38.01 ? 154 GLU A C 1 ATOM 962 O O . GLU A 1 123 ? 15.277 -19.336 -15.498 1.00 37.90 ? 154 GLU A O 1 ATOM 963 C CB . GLU A 1 123 ? 15.185 -22.436 -15.659 1.00 41.73 ? 154 GLU A CB 1 ATOM 964 C CG . GLU A 1 123 ? 15.005 -22.452 -17.168 1.00 45.29 ? 154 GLU A CG 1 ATOM 965 C CD . GLU A 1 123 ? 16.322 -22.591 -17.942 1.00 46.37 ? 154 GLU A CD 1 ATOM 966 O OE1 . GLU A 1 123 ? 16.642 -21.706 -18.777 1.00 47.13 ? 154 GLU A OE1 1 ATOM 967 O OE2 . GLU A 1 123 ? 17.055 -23.563 -17.711 1.00 50.24 ? 154 GLU A OE2 1 ATOM 968 N N . ASN A 1 124 ? 17.096 -19.835 -16.743 1.00 37.61 ? 155 ASN A N 1 ATOM 969 C CA . ASN A 1 124 ? 17.169 -18.542 -17.412 1.00 36.61 ? 155 ASN A CA 1 ATOM 970 C C . ASN A 1 124 ? 17.130 -18.596 -18.936 1.00 37.53 ? 155 ASN A C 1 ATOM 971 O O . ASN A 1 124 ? 17.666 -19.528 -19.549 1.00 38.57 ? 155 ASN A O 1 ATOM 972 C CB . ASN A 1 124 ? 18.453 -17.892 -16.996 1.00 35.45 ? 155 ASN A CB 1 ATOM 973 C CG . ASN A 1 124 ? 18.732 -18.110 -15.545 1.00 34.82 ? 155 ASN A CG 1 ATOM 974 O OD1 . ASN A 1 124 ? 19.374 -19.094 -15.163 1.00 34.89 ? 155 ASN A OD1 1 ATOM 975 N ND2 . ASN A 1 124 ? 18.192 -17.236 -14.715 1.00 34.28 ? 155 ASN A ND2 1 ATOM 976 N N . HIS A 1 125 ? 16.509 -17.580 -19.536 1.00 36.98 ? 156 HIS A N 1 ATOM 977 C CA . HIS A 1 125 ? 16.462 -17.436 -20.992 1.00 37.63 ? 156 HIS A CA 1 ATOM 978 C C . HIS A 1 125 ? 16.112 -16.022 -21.367 1.00 36.94 ? 156 HIS A C 1 ATOM 979 O O . HIS A 1 125 ? 15.381 -15.334 -20.652 1.00 37.12 ? 156 HIS A O 1 ATOM 980 C CB . HIS A 1 125 ? 15.475 -18.416 -21.634 1.00 39.75 ? 156 HIS A CB 1 ATOM 981 C CG . HIS A 1 125 ? 14.050 -17.986 -21.518 1.00 40.93 ? 156 HIS A CG 1 ATOM 982 N ND1 . HIS A 1 125 ? 13.254 -18.425 -20.556 1.00 42.58 ? 156 HIS A ND1 1 ATOM 983 C CD2 . HIS A 1 125 ? 13.298 -17.097 -22.270 1.00 42.36 ? 156 HIS A CD2 1 ATOM 984 C CE1 . HIS A 1 125 ? 12.037 -17.859 -20.676 1.00 44.31 ? 156 HIS A CE1 1 ATOM 985 N NE2 . HIS A 1 125 ? 12.069 -17.043 -21.725 1.00 44.16 ? 156 HIS A NE2 1 ATOM 986 N N . ALA A 1 126 ? 16.639 -15.581 -22.501 1.00 36.89 ? 157 ALA A N 1 ATOM 987 C CA . ALA A 1 126 ? 16.298 -14.300 -23.056 1.00 36.63 ? 157 ALA A CA 1 ATOM 988 C C . ALA A 1 126 ? 15.875 -14.511 -24.495 1.00 38.88 ? 157 ALA A C 1 ATOM 989 O O . ALA A 1 126 ? 16.377 -15.408 -25.184 1.00 39.46 ? 157 ALA A O 1 ATOM 990 C CB . ALA A 1 126 ? 17.476 -13.361 -22.979 1.00 35.09 ? 157 ALA A CB 1 ATOM 991 N N . GLU A 1 127 ? 14.921 -13.705 -24.935 1.00 40.28 ? 158 GLU A N 1 ATOM 992 C CA . GLU A 1 127 ? 14.564 -13.648 -26.340 1.00 43.08 ? 158 GLU A CA 1 ATOM 993 C C . GLU A 1 127 ? 14.397 -12.188 -26.751 1.00 42.94 ? 158 GLU A C 1 ATOM 994 O O . GLU A 1 127 ? 14.251 -11.301 -25.898 1.00 41.87 ? 158 GLU A O 1 ATOM 995 C CB . GLU A 1 127 ? 13.275 -14.425 -26.646 1.00 46.71 ? 158 GLU A CB 1 ATOM 996 C CG . GLU A 1 127 ? 12.971 -15.615 -25.731 1.00 47.82 ? 158 GLU A CG 1 ATOM 997 C CD . GLU A 1 127 ? 11.812 -15.354 -24.752 1.00 49.36 ? 158 GLU A CD 1 ATOM 998 O OE1 . GLU A 1 127 ? 11.519 -14.172 -24.444 1.00 50.41 ? 158 GLU A OE1 1 ATOM 999 O OE2 . GLU A 1 127 ? 11.174 -16.329 -24.289 1.00 50.79 ? 158 GLU A OE2 1 ATOM 1000 N N . ALA A 1 128 ? 14.436 -11.946 -28.061 1.00 44.19 ? 159 ALA A N 1 ATOM 1001 C CA . ALA A 1 128 ? 14.144 -10.632 -28.605 1.00 44.26 ? 159 ALA A CA 1 ATOM 1002 C C . ALA A 1 128 ? 12.651 -10.560 -28.821 1.00 47.46 ? 159 ALA A C 1 ATOM 1003 O O . ALA A 1 128 ? 12.026 -11.582 -29.108 1.00 50.10 ? 159 ALA A O 1 ATOM 1004 C CB . ALA A 1 128 ? 14.871 -10.437 -29.913 1.00 43.93 ? 159 ALA A CB 1 ATOM 1005 N N . GLN A 1 129 ? 12.072 -9.370 -28.664 1.00 48.33 ? 160 GLN A N 1 ATOM 1006 C CA . GLN A 1 129 ? 10.704 -9.128 -29.108 1.00 51.77 ? 160 GLN A CA 1 ATOM 1007 C C . GLN A 1 129 ? 10.791 -8.288 -30.344 1.00 52.95 ? 160 GLN A C 1 ATOM 1008 O O . GLN A 1 129 ? 11.398 -7.221 -30.311 1.00 51.79 ? 160 GLN A O 1 ATOM 1009 C CB . GLN A 1 129 ? 9.874 -8.393 -28.059 1.00 52.99 ? 160 GLN A CB 1 ATOM 1010 C CG . GLN A 1 129 ? 8.869 -9.283 -27.332 1.00 55.87 ? 160 GLN A CG 1 ATOM 1011 C CD . GLN A 1 129 ? 9.460 -9.940 -26.089 1.00 54.85 ? 160 GLN A CD 1 ATOM 1012 O OE1 . GLN A 1 129 ? 9.380 -11.173 -25.903 1.00 56.23 ? 160 GLN A OE1 1 ATOM 1013 N NE2 . GLN A 1 129 ? 10.074 -9.122 -25.232 1.00 52.31 ? 160 GLN A NE2 1 ATOM 1014 N N . GLU A 1 130 ? 10.216 -8.760 -31.447 1.00 55.64 ? 161 GLU A N 1 ATOM 1015 C CA . GLU A 1 130 ? 10.151 -7.918 -32.627 1.00 57.17 ? 161 GLU A CA 1 ATOM 1016 C C . GLU A 1 130 ? 9.153 -6.821 -32.309 1.00 58.67 ? 161 GLU A C 1 ATOM 1017 O O . GLU A 1 130 ? 8.121 -7.075 -31.657 1.00 59.83 ? 161 GLU A O 1 ATOM 1018 C CB . GLU A 1 130 ? 9.761 -8.687 -33.904 1.00 60.99 ? 161 GLU A CB 1 ATOM 1019 C CG . GLU A 1 130 ? 8.350 -9.285 -33.931 1.00 65.53 ? 161 GLU A CG 1 ATOM 1020 C CD . GLU A 1 130 ? 7.930 -9.779 -35.313 1.00 69.41 ? 161 GLU A CD 1 ATOM 1021 O OE1 . GLU A 1 130 ? 8.639 -9.468 -36.307 1.00 69.09 ? 161 GLU A OE1 1 ATOM 1022 O OE2 . GLU A 1 130 ? 6.875 -10.465 -35.397 1.00 73.10 ? 161 GLU A OE2 1 ATOM 1023 N N . VAL A 1 131 ? 9.483 -5.605 -32.742 1.00 58.09 ? 162 VAL A N 1 ATOM 1024 C CA . VAL A 1 131 ? 8.631 -4.430 -32.529 1.00 59.91 ? 162 VAL A CA 1 ATOM 1025 C C . VAL A 1 131 ? 8.644 -3.563 -33.776 1.00 61.36 ? 162 VAL A C 1 ATOM 1026 O O . VAL A 1 131 ? 9.625 -3.577 -34.486 1.00 61.24 ? 162 VAL A O 1 ATOM 1027 C CB . VAL A 1 131 ? 9.141 -3.606 -31.330 1.00 57.35 ? 162 VAL A CB 1 ATOM 1028 C CG1 . VAL A 1 131 ? 8.948 -4.379 -30.029 1.00 55.99 ? 162 VAL A CG1 1 ATOM 1029 C CG2 . VAL A 1 131 ? 10.604 -3.228 -31.515 1.00 53.67 ? 162 VAL A CG2 1 ATOM 1030 N N . THR A 1 132 ? 7.574 -2.826 -34.064 1.00 64.80 ? 163 THR A N 1 ATOM 1031 C CA . THR A 1 132 ? 7.640 -1.827 -35.156 1.00 66.73 ? 163 THR A CA 1 ATOM 1032 C C . THR A 1 132 ? 8.194 -0.523 -34.603 1.00 64.12 ? 163 THR A C 1 ATOM 1033 O O . THR A 1 132 ? 8.048 -0.230 -33.415 1.00 63.26 ? 163 THR A O 1 ATOM 1034 C CB . THR A 1 132 ? 6.284 -1.562 -35.882 1.00 72.56 ? 163 THR A CB 1 ATOM 1035 O OG1 . THR A 1 132 ? 5.322 -0.999 -34.986 1.00 75.68 ? 163 THR A OG1 1 ATOM 1036 C CG2 . THR A 1 132 ? 5.722 -2.832 -36.466 1.00 75.91 ? 163 THR A CG2 1 ATOM 1037 N N . ILE A 1 133 ? 8.848 0.248 -35.464 1.00 62.65 ? 164 ILE A N 1 ATOM 1038 C CA . ILE A 1 133 ? 9.316 1.591 -35.097 1.00 61.73 ? 164 ILE A CA 1 ATOM 1039 C C . ILE A 1 133 ? 8.132 2.420 -34.630 1.00 64.71 ? 164 ILE A C 1 ATOM 1040 O O . ILE A 1 133 ? 7.006 2.124 -35.003 1.00 68.04 ? 164 ILE A O 1 ATOM 1041 C CB . ILE A 1 133 ? 10.018 2.285 -36.283 1.00 61.57 ? 164 ILE A CB 1 ATOM 1042 C CG1 . ILE A 1 133 ? 11.262 1.473 -36.717 1.00 59.16 ? 164 ILE A CG1 1 ATOM 1043 C CG2 . ILE A 1 133 ? 10.389 3.727 -35.949 1.00 61.77 ? 164 ILE A CG2 1 ATOM 1044 C CD1 . ILE A 1 133 ? 12.209 1.071 -35.592 1.00 56.38 ? 164 ILE A CD1 1 ATOM 1045 N N . GLY A 1 134 ? 8.378 3.436 -33.801 1.00 64.42 ? 165 GLY A N 1 ATOM 1046 C CA . GLY A 1 134 ? 7.291 4.237 -33.220 1.00 67.52 ? 165 GLY A CA 1 ATOM 1047 C C . GLY A 1 134 ? 7.686 5.020 -31.980 1.00 67.13 ? 165 GLY A C 1 ATOM 1048 O O . GLY A 1 134 ? 8.699 4.719 -31.351 1.00 63.80 ? 165 GLY A O 1 ATOM 1049 N N . PRO A 1 135 ? 6.861 6.015 -31.602 1.00 71.02 ? 166 PRO A N 1 ATOM 1050 C CA . PRO A 1 135 ? 7.192 7.064 -30.610 1.00 72.28 ? 166 PRO A CA 1 ATOM 1051 C C . PRO A 1 135 ? 7.188 6.636 -29.134 1.00 71.77 ? 166 PRO A C 1 ATOM 1052 O O . PRO A 1 135 ? 7.917 7.196 -28.318 1.00 70.99 ? 166 PRO A O 1 ATOM 1053 C CB . PRO A 1 135 ? 6.107 8.116 -30.840 1.00 77.48 ? 166 PRO A CB 1 ATOM 1054 C CG . PRO A 1 135 ? 5.007 7.433 -31.589 1.00 79.22 ? 166 PRO A CG 1 ATOM 1055 C CD . PRO A 1 135 ? 5.444 6.063 -31.998 1.00 75.11 ? 166 PRO A CD 1 ATOM 1056 N N . GLN A 1 136 ? 6.359 5.660 -28.805 1.00 72.36 ? 167 GLN A N 1 ATOM 1057 C CA . GLN A 1 136 ? 6.322 5.105 -27.456 1.00 72.09 ? 167 GLN A CA 1 ATOM 1058 C C . GLN A 1 136 ? 7.459 4.087 -27.246 1.00 67.09 ? 167 GLN A C 1 ATOM 1059 O O . GLN A 1 136 ? 7.792 3.305 -28.146 1.00 64.56 ? 167 GLN A O 1 ATOM 1060 C CB . GLN A 1 136 ? 4.961 4.441 -27.208 1.00 74.85 ? 167 GLN A CB 1 ATOM 1061 C CG . GLN A 1 136 ? 3.777 5.406 -27.304 1.00 80.56 ? 167 GLN A CG 1 ATOM 1062 C CD . GLN A 1 136 ? 2.532 4.789 -27.933 1.00 83.14 ? 167 GLN A CD 1 ATOM 1063 O OE1 . GLN A 1 136 ? 2.617 3.895 -28.778 1.00 80.73 ? 167 GLN A OE1 1 ATOM 1064 N NE2 . GLN A 1 136 ? 1.366 5.273 -27.521 1.00 88.23 ? 167 GLN A NE2 1 ATOM 1065 N N . SER A 1 137 ? 8.064 4.113 -26.066 1.00 65.89 ? 168 SER A N 1 ATOM 1066 C CA . SER A 1 137 ? 8.996 3.063 -25.691 1.00 61.85 ? 168 SER A CA 1 ATOM 1067 C C . SER A 1 137 ? 8.208 1.795 -25.394 1.00 61.47 ? 168 SER A C 1 ATOM 1068 O O . SER A 1 137 ? 7.132 1.843 -24.802 1.00 63.50 ? 168 SER A O 1 ATOM 1069 C CB . SER A 1 137 ? 9.852 3.469 -24.491 1.00 61.44 ? 168 SER A CB 1 ATOM 1070 O OG . SER A 1 137 ? 9.086 3.548 -23.330 1.00 64.69 ? 168 SER A OG 1 ATOM 1071 N N . VAL A 1 138 ? 8.740 0.673 -25.871 1.00 58.72 ? 169 VAL A N 1 ATOM 1072 C CA . VAL A 1 138 ? 8.213 -0.666 -25.576 1.00 57.80 ? 169 VAL A CA 1 ATOM 1073 C C . VAL A 1 138 ? 9.379 -1.606 -25.278 1.00 53.42 ? 169 VAL A C 1 ATOM 1074 O O . VAL A 1 138 ? 10.529 -1.236 -25.474 1.00 51.48 ? 169 VAL A O 1 ATOM 1075 C CB . VAL A 1 138 ? 7.409 -1.243 -26.769 1.00 59.26 ? 169 VAL A CB 1 ATOM 1076 C CG1 . VAL A 1 138 ? 5.976 -0.728 -26.761 1.00 63.33 ? 169 VAL A CG1 1 ATOM 1077 C CG2 . VAL A 1 138 ? 8.109 -0.937 -28.095 1.00 57.63 ? 169 VAL A CG2 1 ATOM 1078 N N . ALA A 1 139 ? 9.070 -2.818 -24.817 1.00 52.69 ? 170 ALA A N 1 ATOM 1079 C CA . ALA A 1 139 ? 10.088 -3.845 -24.560 1.00 49.14 ? 170 ALA A CA 1 ATOM 1080 C C . ALA A 1 139 ? 10.561 -4.464 -25.851 1.00 47.55 ? 170 ALA A C 1 ATOM 1081 O O . ALA A 1 139 ? 9.804 -5.149 -26.540 1.00 48.80 ? 170 ALA A O 1 ATOM 1082 C CB . ALA A 1 139 ? 9.554 -4.936 -23.643 1.00 49.15 ? 170 ALA A CB 1 ATOM 1083 N N . VAL A 1 140 ? 11.823 -4.222 -26.166 1.00 45.58 ? 171 VAL A N 1 ATOM 1084 C CA . VAL A 1 140 ? 12.449 -4.799 -27.338 1.00 44.98 ? 171 VAL A CA 1 ATOM 1085 C C . VAL A 1 140 ? 13.150 -6.103 -27.015 1.00 43.77 ? 171 VAL A C 1 ATOM 1086 O O . VAL A 1 140 ? 13.582 -6.806 -27.922 1.00 44.98 ? 171 VAL A O 1 ATOM 1087 C CB . VAL A 1 140 ? 13.472 -3.837 -27.981 1.00 44.07 ? 171 VAL A CB 1 ATOM 1088 C CG1 . VAL A 1 140 ? 12.767 -2.592 -28.494 1.00 46.17 ? 171 VAL A CG1 1 ATOM 1089 C CG2 . VAL A 1 140 ? 14.593 -3.488 -27.007 1.00 42.59 ? 171 VAL A CG2 1 ATOM 1090 N N . ALA A 1 141 ? 13.284 -6.413 -25.733 1.00 42.75 ? 172 ALA A N 1 ATOM 1091 C CA . ALA A 1 141 ? 13.951 -7.625 -25.307 1.00 41.52 ? 172 ALA A CA 1 ATOM 1092 C C . ALA A 1 141 ? 13.590 -7.971 -23.866 1.00 41.56 ? 172 ALA A C 1 ATOM 1093 O O . ALA A 1 141 ? 13.291 -7.082 -23.037 1.00 41.89 ? 172 ALA A O 1 ATOM 1094 C CB . ALA A 1 141 ? 15.451 -7.459 -25.437 1.00 40.07 ? 172 ALA A CB 1 ATOM 1095 N N . ARG A 1 142 ? 13.638 -9.263 -23.562 1.00 40.56 ? 173 ARG A N 1 ATOM 1096 C CA . ARG A 1 142 ? 13.225 -9.720 -22.271 1.00 40.19 ? 173 ARG A CA 1 ATOM 1097 C C . ARG A 1 142 ? 14.022 -10.933 -21.866 1.00 38.77 ? 173 ARG A C 1 ATOM 1098 O O . ARG A 1 142 ? 14.496 -11.706 -22.690 1.00 38.44 ? 173 ARG A O 1 ATOM 1099 C CB . ARG A 1 142 ? 11.700 -9.944 -22.233 1.00 42.98 ? 173 ARG A CB 1 ATOM 1100 C CG . ARG A 1 142 ? 11.171 -11.373 -22.167 1.00 44.11 ? 173 ARG A CG 1 ATOM 1101 C CD . ARG A 1 142 ? 9.665 -11.332 -21.952 1.00 46.96 ? 173 ARG A CD 1 ATOM 1102 N NE . ARG A 1 142 ? 9.150 -12.504 -21.247 1.00 48.12 ? 173 ARG A NE 1 ATOM 1103 C CZ . ARG A 1 142 ? 7.995 -12.528 -20.572 1.00 50.75 ? 173 ARG A CZ 1 ATOM 1104 N NH1 . ARG A 1 142 ? 7.219 -11.441 -20.509 1.00 52.67 ? 173 ARG A NH1 1 ATOM 1105 N NH2 . ARG A 1 142 ? 7.604 -13.644 -19.955 1.00 51.70 ? 173 ARG A NH2 1 ATOM 1106 N N . CYS A 1 143 ? 14.203 -11.047 -20.564 1.00 38.50 ? 174 CYS A N 1 ATOM 1107 C CA . CYS A 1 143 ? 14.995 -12.089 -19.971 1.00 37.17 ? 174 CYS A CA 1 ATOM 1108 C C . CYS A 1 143 ? 14.254 -12.591 -18.783 1.00 38.12 ? 174 CYS A C 1 ATOM 1109 O O . CYS A 1 143 ? 13.716 -11.795 -18.007 1.00 39.51 ? 174 CYS A O 1 ATOM 1110 C CB . CYS A 1 143 ? 16.289 -11.509 -19.468 1.00 35.89 ? 174 CYS A CB 1 ATOM 1111 S SG . CYS A 1 143 ? 17.514 -12.761 -19.128 1.00 34.95 ? 174 CYS A SG 1 ATOM 1112 N N . VAL A 1 144 ? 14.241 -13.896 -18.600 1.00 37.95 ? 175 VAL A N 1 ATOM 1113 C CA . VAL A 1 144 ? 13.498 -14.454 -17.497 1.00 38.67 ? 175 VAL A CA 1 ATOM 1114 C C . VAL A 1 144 ? 14.390 -15.411 -16.696 1.00 37.85 ? 175 VAL A C 1 ATOM 1115 O O . VAL A 1 144 ? 15.004 -16.323 -17.253 1.00 37.82 ? 175 VAL A O 1 ATOM 1116 C CB . VAL A 1 144 ? 12.187 -15.099 -17.994 1.00 40.85 ? 175 VAL A CB 1 ATOM 1117 C CG1 . VAL A 1 144 ? 12.471 -16.257 -18.904 1.00 41.61 ? 175 VAL A CG1 1 ATOM 1118 C CG2 . VAL A 1 144 ? 11.332 -15.530 -16.823 1.00 42.28 ? 175 VAL A CG2 1 ATOM 1119 N N . SER A 1 145 ? 14.494 -15.152 -15.389 1.00 37.48 ? 176 SER A N 1 ATOM 1120 C CA . SER A 1 145 ? 15.220 -16.030 -14.457 1.00 36.23 ? 176 SER A CA 1 ATOM 1121 C C . SER A 1 145 ? 14.261 -16.662 -13.457 1.00 36.73 ? 176 SER A C 1 ATOM 1122 O O . SER A 1 145 ? 13.910 -16.050 -12.433 1.00 36.90 ? 176 SER A O 1 ATOM 1123 C CB . SER A 1 145 ? 16.292 -15.246 -13.719 1.00 35.38 ? 176 SER A CB 1 ATOM 1124 O OG . SER A 1 145 ? 17.055 -16.104 -12.886 1.00 35.33 ? 176 SER A OG 1 ATOM 1125 N N . THR A 1 146 ? 13.860 -17.897 -13.747 1.00 37.01 ? 177 THR A N 1 ATOM 1126 C CA . THR A 1 146 ? 12.721 -18.508 -13.063 1.00 38.58 ? 177 THR A CA 1 ATOM 1127 C C . THR A 1 146 ? 13.137 -19.560 -12.029 1.00 37.84 ? 177 THR A C 1 ATOM 1128 O O . THR A 1 146 ? 14.079 -20.320 -12.245 1.00 36.96 ? 177 THR A O 1 ATOM 1129 C CB . THR A 1 146 ? 11.770 -19.174 -14.068 1.00 40.70 ? 177 THR A CB 1 ATOM 1130 O OG1 . THR A 1 146 ? 12.214 -20.513 -14.312 1.00 41.64 ? 177 THR A OG1 1 ATOM 1131 C CG2 . THR A 1 146 ? 11.726 -18.385 -15.396 1.00 40.62 ? 177 THR A CG2 1 ATOM 1132 N N . GLY A 1 147 ? 12.411 -19.594 -10.915 1.00 38.21 ? 178 GLY A N 1 ATOM 1133 C CA . GLY A 1 147 ? 12.620 -20.588 -9.865 1.00 38.14 ? 178 GLY A CA 1 ATOM 1134 C C . GLY A 1 147 ? 13.943 -20.505 -9.112 1.00 36.52 ? 178 GLY A C 1 ATOM 1135 O O . GLY A 1 147 ? 14.455 -21.531 -8.646 1.00 36.64 ? 178 GLY A O 1 ATOM 1136 N N . GLY A 1 148 ? 14.492 -19.294 -8.972 1.00 35.43 ? 179 GLY A N 1 ATOM 1137 C CA . GLY A 1 148 ? 15.774 -19.104 -8.287 1.00 33.97 ? 179 GLY A CA 1 ATOM 1138 C C . GLY A 1 148 ? 15.617 -18.823 -6.810 1.00 34.44 ? 179 GLY A C 1 ATOM 1139 O O . GLY A 1 148 ? 14.662 -18.160 -6.380 1.00 35.91 ? 179 GLY A O 1 ATOM 1140 N N . ARG A 1 149 ? 16.560 -19.320 -6.026 1.00 33.70 ? 180 ARG A N 1 ATOM 1141 C CA . ARG A 1 149 ? 16.605 -19.025 -4.600 1.00 34.25 ? 180 ARG A CA 1 ATOM 1142 C C . ARG A 1 149 ? 18.063 -18.911 -4.116 1.00 34.42 ? 180 ARG A C 1 ATOM 1143 O O . ARG A 1 149 ? 18.827 -19.892 -4.161 1.00 33.95 ? 180 ARG A O 1 ATOM 1144 C CB . ARG A 1 149 ? 15.868 -20.081 -3.818 1.00 34.68 ? 180 ARG A CB 1 ATOM 1145 C CG . ARG A 1 149 ? 15.673 -19.699 -2.374 1.00 35.94 ? 180 ARG A CG 1 ATOM 1146 C CD . ARG A 1 149 ? 14.862 -20.741 -1.628 1.00 36.85 ? 180 ARG A CD 1 ATOM 1147 N NE . ARG A 1 149 ? 14.338 -20.184 -0.387 1.00 38.14 ? 180 ARG A NE 1 ATOM 1148 C CZ . ARG A 1 149 ? 15.018 -20.126 0.744 1.00 38.89 ? 180 ARG A CZ 1 ATOM 1149 N NH1 . ARG A 1 149 ? 16.269 -20.592 0.820 1.00 38.24 ? 180 ARG A NH1 1 ATOM 1150 N NH2 . ARG A 1 149 ? 14.447 -19.604 1.811 1.00 41.03 ? 180 ARG A NH2 1 ATOM 1151 N N . PRO A 1 150 ? 18.463 -17.712 -3.663 1.00 35.11 ? 181 PRO A N 1 ATOM 1152 C CA . PRO A 1 150 ? 17.652 -16.517 -3.552 1.00 36.21 ? 181 PRO A CA 1 ATOM 1153 C C . PRO A 1 150 ? 17.312 -15.918 -4.933 1.00 36.27 ? 181 PRO A C 1 ATOM 1154 O O . PRO A 1 150 ? 17.758 -16.449 -5.955 1.00 35.04 ? 181 PRO A O 1 ATOM 1155 C CB . PRO A 1 150 ? 18.527 -15.589 -2.727 1.00 37.56 ? 181 PRO A CB 1 ATOM 1156 C CG . PRO A 1 150 ? 19.899 -16.010 -3.003 1.00 37.06 ? 181 PRO A CG 1 ATOM 1157 C CD . PRO A 1 150 ? 19.865 -17.463 -3.317 1.00 35.71 ? 181 PRO A CD 1 ATOM 1158 N N . PRO A 1 151 ? 16.505 -14.831 -4.977 1.00 37.95 ? 182 PRO A N 1 ATOM 1159 C CA . PRO A 1 151 ? 16.213 -14.263 -6.282 1.00 37.58 ? 182 PRO A CA 1 ATOM 1160 C C . PRO A 1 151 ? 17.491 -13.965 -7.047 1.00 37.23 ? 182 PRO A C 1 ATOM 1161 O O . PRO A 1 151 ? 18.453 -13.413 -6.484 1.00 37.66 ? 182 PRO A O 1 ATOM 1162 C CB . PRO A 1 151 ? 15.482 -12.949 -5.958 1.00 39.75 ? 182 PRO A CB 1 ATOM 1163 C CG . PRO A 1 151 ? 14.949 -13.111 -4.593 1.00 41.24 ? 182 PRO A CG 1 ATOM 1164 C CD . PRO A 1 151 ? 15.921 -14.025 -3.887 1.00 40.37 ? 182 PRO A CD 1 ATOM 1165 N N . ALA A 1 152 ? 17.492 -14.336 -8.321 1.00 36.54 ? 183 ALA A N 1 ATOM 1166 C CA . ALA A 1 152 ? 18.584 -13.996 -9.198 1.00 36.39 ? 183 ALA A CA 1 ATOM 1167 C C . ALA A 1 152 ? 18.662 -12.489 -9.423 1.00 37.64 ? 183 ALA A C 1 ATOM 1168 O O . ALA A 1 152 ? 17.743 -11.733 -9.108 1.00 38.63 ? 183 ALA A O 1 ATOM 1169 C CB . ALA A 1 152 ? 18.431 -14.723 -10.521 1.00 35.76 ? 183 ALA A CB 1 ATOM 1170 N N . ARG A 1 153 ? 19.786 -12.058 -9.956 1.00 38.33 ? 184 ARG A N 1 ATOM 1171 C CA . ARG A 1 153 ? 19.954 -10.676 -10.299 1.00 40.22 ? 184 ARG A CA 1 ATOM 1172 C C . ARG A 1 153 ? 20.205 -10.551 -11.803 1.00 38.44 ? 184 ARG A C 1 ATOM 1173 O O . ARG A 1 153 ? 21.143 -11.138 -12.329 1.00 37.46 ? 184 ARG A O 1 ATOM 1174 C CB . ARG A 1 153 ? 21.092 -10.062 -9.495 1.00 43.16 ? 184 ARG A CB 1 ATOM 1175 C CG . ARG A 1 153 ? 21.367 -8.651 -9.915 1.00 46.36 ? 184 ARG A CG 1 ATOM 1176 C CD . ARG A 1 153 ? 22.203 -7.896 -8.910 1.00 50.91 ? 184 ARG A CD 1 ATOM 1177 N NE . ARG A 1 153 ? 22.468 -6.558 -9.438 1.00 55.49 ? 184 ARG A NE 1 ATOM 1178 C CZ . ARG A 1 153 ? 21.548 -5.591 -9.595 1.00 58.43 ? 184 ARG A CZ 1 ATOM 1179 N NH1 . ARG A 1 153 ? 20.256 -5.777 -9.248 1.00 58.66 ? 184 ARG A NH1 1 ATOM 1180 N NH2 . ARG A 1 153 ? 21.923 -4.410 -10.104 1.00 60.57 ? 184 ARG A NH2 1 ATOM 1181 N N . ILE A 1 154 ? 19.352 -9.773 -12.468 1.00 37.86 ? 185 ILE A N 1 ATOM 1182 C CA . ILE A 1 154 ? 19.441 -9.549 -13.894 1.00 36.48 ? 185 ILE A CA 1 ATOM 1183 C C . ILE A 1 154 ? 19.869 -8.135 -14.200 1.00 37.44 ? 185 ILE A C 1 ATOM 1184 O O . ILE A 1 154 ? 19.232 -7.170 -13.783 1.00 38.59 ? 185 ILE A O 1 ATOM 1185 C CB . ILE A 1 154 ? 18.099 -9.762 -14.599 1.00 36.19 ? 185 ILE A CB 1 ATOM 1186 C CG1 . ILE A 1 154 ? 17.683 -11.228 -14.530 1.00 35.13 ? 185 ILE A CG1 1 ATOM 1187 C CG2 . ILE A 1 154 ? 18.193 -9.309 -16.057 1.00 35.87 ? 185 ILE A CG2 1 ATOM 1188 C CD1 . ILE A 1 154 ? 16.241 -11.470 -14.938 1.00 35.53 ? 185 ILE A CD1 1 ATOM 1189 N N . THR A 1 155 ? 20.943 -8.028 -14.957 1.00 37.16 ? 186 THR A N 1 ATOM 1190 C CA . THR A 1 155 ? 21.377 -6.761 -15.499 1.00 38.38 ? 186 THR A CA 1 ATOM 1191 C C . THR A 1 155 ? 21.498 -6.930 -16.998 1.00 36.63 ? 186 THR A C 1 ATOM 1192 O O . THR A 1 155 ? 21.422 -8.041 -17.491 1.00 34.83 ? 186 THR A O 1 ATOM 1193 C CB . THR A 1 155 ? 22.700 -6.365 -14.872 1.00 40.60 ? 186 THR A CB 1 ATOM 1194 O OG1 . THR A 1 155 ? 23.637 -7.423 -15.057 1.00 40.68 ? 186 THR A OG1 1 ATOM 1195 C CG2 . THR A 1 155 ? 22.514 -6.181 -13.390 1.00 43.17 ? 186 THR A CG2 1 ATOM 1196 N N . TRP A 1 156 ? 21.630 -5.827 -17.723 1.00 37.60 ? 187 TRP A N 1 ATOM 1197 C CA . TRP A 1 156 ? 21.806 -5.879 -19.177 1.00 36.95 ? 187 TRP A CA 1 ATOM 1198 C C . TRP A 1 156 ? 23.033 -5.133 -19.647 1.00 37.86 ? 187 TRP A C 1 ATOM 1199 O O . TRP A 1 156 ? 23.383 -4.082 -19.107 1.00 39.84 ? 187 TRP A O 1 ATOM 1200 C CB . TRP A 1 156 ? 20.607 -5.285 -19.908 1.00 37.31 ? 187 TRP A CB 1 ATOM 1201 C CG . TRP A 1 156 ? 19.287 -5.994 -19.759 1.00 36.70 ? 187 TRP A CG 1 ATOM 1202 C CD1 . TRP A 1 156 ? 18.372 -5.863 -18.733 1.00 37.62 ? 187 TRP A CD1 1 ATOM 1203 C CD2 . TRP A 1 156 ? 18.658 -6.911 -20.708 1.00 35.99 ? 187 TRP A CD2 1 ATOM 1204 N NE1 . TRP A 1 156 ? 17.259 -6.636 -18.963 1.00 37.36 ? 187 TRP A NE1 1 ATOM 1205 C CE2 . TRP A 1 156 ? 17.371 -7.288 -20.129 1.00 36.46 ? 187 TRP A CE2 1 ATOM 1206 C CE3 . TRP A 1 156 ? 19.026 -7.450 -21.921 1.00 35.76 ? 187 TRP A CE3 1 ATOM 1207 C CZ2 . TRP A 1 156 ? 16.512 -8.169 -20.758 1.00 36.52 ? 187 TRP A CZ2 1 ATOM 1208 C CZ3 . TRP A 1 156 ? 18.142 -8.340 -22.557 1.00 35.89 ? 187 TRP A CZ3 1 ATOM 1209 C CH2 . TRP A 1 156 ? 16.920 -8.690 -21.982 1.00 36.27 ? 187 TRP A CH2 1 ATOM 1210 N N . ILE A 1 157 ? 23.676 -5.670 -20.680 1.00 37.00 ? 188 ILE A N 1 ATOM 1211 C CA . ILE A 1 157 ? 24.784 -5.004 -21.356 1.00 38.59 ? 188 ILE A CA 1 ATOM 1212 C C . ILE A 1 157 ? 24.292 -4.480 -22.689 1.00 38.09 ? 188 ILE A C 1 ATOM 1213 O O . ILE A 1 157 ? 24.100 -5.256 -23.598 1.00 37.29 ? 188 ILE A O 1 ATOM 1214 C CB . ILE A 1 157 ? 25.948 -5.960 -21.644 1.00 38.89 ? 188 ILE A CB 1 ATOM 1215 C CG1 . ILE A 1 157 ? 26.381 -6.695 -20.373 1.00 39.35 ? 188 ILE A CG1 1 ATOM 1216 C CG2 . ILE A 1 157 ? 27.116 -5.168 -22.198 1.00 41.63 ? 188 ILE A CG2 1 ATOM 1217 C CD1 . ILE A 1 157 ? 27.379 -7.810 -20.614 1.00 39.39 ? 188 ILE A CD1 1 ATOM 1218 N N . SER A 1 158 ? 24.088 -3.170 -22.801 1.00 39.25 ? 189 SER A N 1 ATOM 1219 C CA . SER A 1 158 ? 23.515 -2.586 -24.000 1.00 38.99 ? 189 SER A CA 1 ATOM 1220 C C . SER A 1 158 ? 24.170 -1.279 -24.405 1.00 41.15 ? 189 SER A C 1 ATOM 1221 O O . SER A 1 158 ? 24.449 -0.423 -23.565 1.00 42.60 ? 189 SER A O 1 ATOM 1222 C CB . SER A 1 158 ? 22.024 -2.339 -23.796 1.00 38.68 ? 189 SER A CB 1 ATOM 1223 O OG . SER A 1 158 ? 21.418 -1.701 -24.927 1.00 39.09 ? 189 SER A OG 1 ATOM 1224 N N . SER A 1 159 ? 24.353 -1.133 -25.719 1.00 41.28 ? 190 SER A N 1 ATOM 1225 C CA . SER A 1 159 ? 24.881 0.076 -26.337 1.00 43.16 ? 190 SER A CA 1 ATOM 1226 C C . SER A 1 159 ? 23.768 1.084 -26.622 1.00 43.32 ? 190 SER A C 1 ATOM 1227 O O . SER A 1 159 ? 24.027 2.240 -26.921 1.00 45.39 ? 190 SER A O 1 ATOM 1228 C CB . SER A 1 159 ? 25.633 -0.252 -27.643 1.00 43.68 ? 190 SER A CB 1 ATOM 1229 O OG . SER A 1 159 ? 25.016 -1.276 -28.411 1.00 41.69 ? 190 SER A OG 1 ATOM 1230 N N . LEU A 1 160 ? 22.527 0.648 -26.513 1.00 42.11 ? 191 LEU A N 1 ATOM 1231 C CA . LEU A 1 160 ? 21.388 1.530 -26.708 1.00 43.32 ? 191 LEU A CA 1 ATOM 1232 C C . LEU A 1 160 ? 21.093 2.255 -25.408 1.00 45.24 ? 191 LEU A C 1 ATOM 1233 O O . LEU A 1 160 ? 21.647 1.934 -24.378 1.00 45.69 ? 191 LEU A O 1 ATOM 1234 C CB . LEU A 1 160 ? 20.206 0.707 -27.170 1.00 41.88 ? 191 LEU A CB 1 ATOM 1235 C CG . LEU A 1 160 ? 20.623 -0.155 -28.383 1.00 40.89 ? 191 LEU A CG 1 ATOM 1236 C CD1 . LEU A 1 160 ? 19.949 -1.524 -28.426 1.00 39.32 ? 191 LEU A CD1 1 ATOM 1237 C CD2 . LEU A 1 160 ? 20.392 0.616 -29.682 1.00 41.57 ? 191 LEU A CD2 1 ATOM 1238 N N . GLY A 1 161 ? 20.232 3.241 -25.437 1.00 47.38 ? 192 GLY A N 1 ATOM 1239 C CA . GLY A 1 161 ? 20.012 4.028 -24.242 1.00 50.93 ? 192 GLY A CA 1 ATOM 1240 C C . GLY A 1 161 ? 18.761 3.619 -23.509 1.00 51.57 ? 192 GLY A C 1 ATOM 1241 O O . GLY A 1 161 ? 17.931 4.461 -23.184 1.00 55.03 ? 192 GLY A O 1 ATOM 1242 N N . GLY A 1 162 ? 18.622 2.331 -23.228 1.00 49.81 ? 193 GLY A N 1 ATOM 1243 C CA . GLY A 1 162 ? 17.364 1.805 -22.697 1.00 50.15 ? 193 GLY A CA 1 ATOM 1244 C C . GLY A 1 162 ? 17.320 1.730 -21.187 1.00 51.65 ? 193 GLY A C 1 ATOM 1245 O O . GLY A 1 162 ? 18.344 1.747 -20.530 1.00 52.16 ? 193 GLY A O 1 ATOM 1246 N N . GLU A 1 163 ? 16.114 1.717 -20.641 1.00 53.67 ? 194 GLU A N 1 ATOM 1247 C CA . GLU A 1 163 ? 15.901 1.349 -19.247 1.00 54.99 ? 194 GLU A CA 1 ATOM 1248 C C . GLU A 1 163 ? 15.387 -0.088 -19.155 1.00 51.96 ? 194 GLU A C 1 ATOM 1249 O O . GLU A 1 163 ? 14.385 -0.471 -19.777 1.00 51.34 ? 194 GLU A O 1 ATOM 1250 C CB . GLU A 1 163 ? 14.942 2.311 -18.522 1.00 59.69 ? 194 GLU A CB 1 ATOM 1251 C CG . GLU A 1 163 ? 13.559 2.427 -19.143 1.00 61.84 ? 194 GLU A CG 1 ATOM 1252 C CD . GLU A 1 163 ? 12.717 3.509 -18.510 1.00 67.47 ? 194 GLU A CD 1 ATOM 1253 O OE1 . GLU A 1 163 ? 11.663 3.173 -17.898 1.00 70.66 ? 194 GLU A OE1 1 ATOM 1254 O OE2 . GLU A 1 163 ? 13.112 4.695 -18.640 1.00 70.42 ? 194 GLU A OE2 1 ATOM 1255 N N . ALA A 1 164 ? 16.129 -0.874 -18.384 1.00 50.28 ? 195 ALA A N 1 ATOM 1256 C CA . ALA A 1 164 ? 15.753 -2.213 -17.996 1.00 47.55 ? 195 ALA A CA 1 ATOM 1257 C C . ALA A 1 164 ? 14.938 -2.060 -16.759 1.00 49.32 ? 195 ALA A C 1 ATOM 1258 O O . ALA A 1 164 ? 15.408 -1.536 -15.760 1.00 50.34 ? 195 ALA A O 1 ATOM 1259 C CB . ALA A 1 164 ? 16.985 -3.034 -17.680 1.00 45.25 ? 195 ALA A CB 1 ATOM 1260 N N . LYS A 1 165 ? 13.703 -2.503 -16.830 1.00 50.69 ? 196 LYS A N 1 ATOM 1261 C CA . LYS A 1 165 ? 12.821 -2.470 -15.679 1.00 53.59 ? 196 LYS A CA 1 ATOM 1262 C C . LYS A 1 165 ? 12.278 -3.870 -15.511 1.00 51.56 ? 196 LYS A C 1 ATOM 1263 O O . LYS A 1 165 ? 11.630 -4.435 -16.411 1.00 51.29 ? 196 LYS A O 1 ATOM 1264 C CB . LYS A 1 165 ? 11.700 -1.430 -15.844 1.00 57.89 ? 196 LYS A CB 1 ATOM 1265 C CG . LYS A 1 165 ? 10.827 -1.593 -17.086 1.00 58.17 ? 196 LYS A CG 1 ATOM 1266 C CD . LYS A 1 165 ? 9.962 -0.361 -17.307 1.00 62.65 ? 196 LYS A CD 1 ATOM 1267 C CE . LYS A 1 165 ? 9.161 -0.462 -18.595 1.00 63.51 ? 196 LYS A CE 1 ATOM 1268 N NZ . LYS A 1 165 ? 10.014 -0.863 -19.745 1.00 60.19 ? 196 LYS A NZ 1 ATOM 1269 N N . ASP A 1 166 ? 12.587 -4.458 -14.371 1.00 50.45 ? 197 ASP A N 1 ATOM 1270 C CA . ASP A 1 166 ? 12.241 -5.837 -14.173 1.00 48.48 ? 197 ASP A CA 1 ATOM 1271 C C . ASP A 1 166 ? 11.336 -5.957 -12.991 1.00 49.72 ? 197 ASP A C 1 ATOM 1272 O O . ASP A 1 166 ? 11.270 -5.063 -12.159 1.00 51.83 ? 197 ASP A O 1 ATOM 1273 C CB . ASP A 1 166 ? 13.471 -6.770 -14.072 1.00 45.79 ? 197 ASP A CB 1 ATOM 1274 C CG . ASP A 1 166 ? 14.670 -6.141 -13.408 1.00 46.01 ? 197 ASP A CG 1 ATOM 1275 O OD1 . ASP A 1 166 ? 15.270 -5.230 -13.998 1.00 47.59 ? 197 ASP A OD1 1 ATOM 1276 O OD2 . ASP A 1 166 ? 15.065 -6.618 -12.334 1.00 46.24 ? 197 ASP A OD2 1 ATOM 1277 N N . THR A 1 167 ? 10.623 -7.074 -12.960 1.00 48.73 ? 198 THR A N 1 ATOM 1278 C CA . THR A 1 167 ? 9.594 -7.329 -11.980 1.00 50.36 ? 198 THR A CA 1 ATOM 1279 C C . THR A 1 167 ? 9.773 -8.743 -11.443 1.00 48.04 ? 198 THR A C 1 ATOM 1280 O O . THR A 1 167 ? 10.414 -9.574 -12.074 1.00 44.94 ? 198 THR A O 1 ATOM 1281 C CB . THR A 1 167 ? 8.210 -7.158 -12.611 1.00 52.72 ? 198 THR A CB 1 ATOM 1282 O OG1 . THR A 1 167 ? 7.944 -8.255 -13.472 1.00 50.99 ? 198 THR A OG1 1 ATOM 1283 C CG2 . THR A 1 167 ? 8.141 -5.859 -13.446 1.00 54.50 ? 198 THR A CG2 1 ATOM 1284 N N . GLN A 1 168 ? 9.231 -8.995 -10.260 1.00 49.82 ? 199 GLN A N 1 ATOM 1285 C CA . GLN A 1 168 ? 9.420 -10.277 -9.581 1.00 48.56 ? 199 GLN A CA 1 ATOM 1286 C C . GLN A 1 168 ? 8.087 -10.945 -9.271 1.00 50.80 ? 199 GLN A C 1 ATOM 1287 O O . GLN A 1 168 ? 7.157 -10.311 -8.778 1.00 54.67 ? 199 GLN A O 1 ATOM 1288 C CB . GLN A 1 168 ? 10.171 -10.085 -8.267 1.00 49.16 ? 199 GLN A CB 1 ATOM 1289 C CG . GLN A 1 168 ? 11.547 -9.454 -8.389 1.00 48.60 ? 199 GLN A CG 1 ATOM 1290 C CD . GLN A 1 168 ? 12.163 -9.103 -7.027 1.00 51.17 ? 199 GLN A CD 1 ATOM 1291 O OE1 . GLN A 1 168 ? 13.207 -9.676 -6.632 1.00 49.88 ? 199 GLN A OE1 1 ATOM 1292 N NE2 . GLN A 1 168 ? 11.517 -8.160 -6.291 1.00 54.78 ? 199 GLN A NE2 1 ATOM 1293 N N . GLU A 1 169 ? 7.990 -12.230 -9.546 1.00 48.95 ? 200 GLU A N 1 ATOM 1294 C CA . GLU A 1 169 ? 6.841 -12.996 -9.098 1.00 51.24 ? 200 GLU A CA 1 ATOM 1295 C C . GLU A 1 169 ? 7.397 -14.212 -8.411 1.00 48.88 ? 200 GLU A C 1 ATOM 1296 O O . GLU A 1 169 ? 8.531 -14.586 -8.677 1.00 46.71 ? 200 GLU A O 1 ATOM 1297 C CB . GLU A 1 169 ? 5.928 -13.366 -10.261 1.00 53.41 ? 200 GLU A CB 1 ATOM 1298 C CG . GLU A 1 169 ? 6.626 -13.982 -11.470 1.00 51.67 ? 200 GLU A CG 1 ATOM 1299 C CD . GLU A 1 169 ? 5.738 -13.962 -12.718 1.00 54.78 ? 200 GLU A CD 1 ATOM 1300 O OE1 . GLU A 1 169 ? 5.234 -15.054 -13.109 1.00 56.62 ? 200 GLU A OE1 1 ATOM 1301 O OE2 . GLU A 1 169 ? 5.529 -12.856 -13.299 1.00 55.71 ? 200 GLU A OE2 1 ATOM 1302 N N . PRO A 1 170 ? 6.648 -14.802 -7.479 1.00 50.17 ? 201 PRO A N 1 ATOM 1303 C CA . PRO A 1 170 ? 7.171 -16.033 -6.909 1.00 47.99 ? 201 PRO A CA 1 ATOM 1304 C C . PRO A 1 170 ? 7.122 -17.133 -7.931 1.00 46.90 ? 201 PRO A C 1 ATOM 1305 O O . PRO A 1 170 ? 6.314 -17.077 -8.850 1.00 48.83 ? 201 PRO A O 1 ATOM 1306 C CB . PRO A 1 170 ? 6.221 -16.324 -5.771 1.00 51.11 ? 201 PRO A CB 1 ATOM 1307 C CG . PRO A 1 170 ? 5.691 -14.987 -5.390 1.00 54.22 ? 201 PRO A CG 1 ATOM 1308 C CD . PRO A 1 170 ? 5.551 -14.249 -6.680 1.00 54.33 ? 201 PRO A CD 1 ATOM 1309 N N . GLY A 1 171 ? 8.023 -18.094 -7.793 1.00 44.02 ? 202 GLY A N 1 ATOM 1310 C CA . GLY A 1 171 ? 8.075 -19.219 -8.684 1.00 43.63 ? 202 GLY A CA 1 ATOM 1311 C C . GLY A 1 171 ? 7.040 -20.244 -8.297 1.00 46.26 ? 202 GLY A C 1 ATOM 1312 O O . GLY A 1 171 ? 6.317 -20.075 -7.316 1.00 47.65 ? 202 GLY A O 1 ATOM 1313 N N . ILE A 1 172 ? 6.968 -21.306 -9.095 1.00 47.13 ? 203 ILE A N 1 ATOM 1314 C CA . ILE A 1 172 ? 6.020 -22.401 -8.880 1.00 50.14 ? 203 ILE A CA 1 ATOM 1315 C C . ILE A 1 172 ? 6.374 -23.140 -7.576 1.00 49.66 ? 203 ILE A C 1 ATOM 1316 O O . ILE A 1 172 ? 5.491 -23.606 -6.847 1.00 52.09 ? 203 ILE A O 1 ATOM 1317 C CB . ILE A 1 172 ? 5.997 -23.364 -10.103 1.00 51.15 ? 203 ILE A CB 1 ATOM 1318 C CG1 . ILE A 1 172 ? 4.902 -24.429 -9.961 1.00 55.39 ? 203 ILE A CG1 1 ATOM 1319 C CG2 . ILE A 1 172 ? 7.356 -24.014 -10.289 1.00 48.31 ? 203 ILE A CG2 1 ATOM 1320 C CD1 . ILE A 1 172 ? 4.691 -25.270 -11.201 1.00 57.73 ? 203 ILE A CD1 1 ATOM 1321 N N . GLN A 1 173 ? 7.666 -23.209 -7.268 1.00 46.64 ? 204 GLN A N 1 ATOM 1322 C CA . GLN A 1 173 ? 8.126 -23.875 -6.045 1.00 46.10 ? 204 GLN A CA 1 ATOM 1323 C C . GLN A 1 173 ? 8.170 -22.944 -4.879 1.00 44.94 ? 204 GLN A C 1 ATOM 1324 O O . GLN A 1 173 ? 8.720 -21.864 -4.973 1.00 43.33 ? 204 GLN A O 1 ATOM 1325 C CB . GLN A 1 173 ? 9.531 -24.442 -6.222 1.00 44.30 ? 204 GLN A CB 1 ATOM 1326 C CG . GLN A 1 173 ? 9.559 -25.868 -6.741 1.00 46.16 ? 204 GLN A CG 1 ATOM 1327 C CD . GLN A 1 173 ? 10.962 -26.423 -6.764 1.00 44.82 ? 204 GLN A CD 1 ATOM 1328 O OE1 . GLN A 1 173 ? 11.209 -27.532 -6.255 1.00 46.43 ? 204 GLN A OE1 1 ATOM 1329 N NE2 . GLN A 1 173 ? 11.907 -25.650 -7.341 1.00 42.47 ? 204 GLN A NE2 1 ATOM 1330 N N . ALA A 1 174 ? 7.636 -23.387 -3.759 1.00 46.44 ? 205 ALA A N 1 ATOM 1331 C CA . ALA A 1 174 ? 7.675 -22.589 -2.549 1.00 46.66 ? 205 ALA A CA 1 ATOM 1332 C C . ALA A 1 174 ? 9.114 -22.345 -2.151 1.00 43.50 ? 205 ALA A C 1 ATOM 1333 O O . ALA A 1 174 ? 9.936 -23.263 -2.167 1.00 42.06 ? 205 ALA A O 1 ATOM 1334 C CB . ALA A 1 174 ? 6.930 -23.286 -1.430 1.00 49.48 ? 205 ALA A CB 1 ATOM 1335 N N . GLY A 1 175 ? 9.419 -21.102 -1.810 1.00 43.00 ? 206 GLY A N 1 ATOM 1336 C CA . GLY A 1 175 ? 10.782 -20.712 -1.545 1.00 40.96 ? 206 GLY A CA 1 ATOM 1337 C C . GLY A 1 175 ? 11.446 -20.007 -2.710 1.00 39.48 ? 206 GLY A C 1 ATOM 1338 O O . GLY A 1 175 ? 12.250 -19.126 -2.483 1.00 39.52 ? 206 GLY A O 1 ATOM 1339 N N . THR A 1 176 ? 11.109 -20.373 -3.949 1.00 39.39 ? 207 THR A N 1 ATOM 1340 C CA . THR A 1 176 ? 11.786 -19.828 -5.157 1.00 37.75 ? 207 THR A CA 1 ATOM 1341 C C . THR A 1 176 ? 11.096 -18.611 -5.760 1.00 38.44 ? 207 THR A C 1 ATOM 1342 O O . THR A 1 176 ? 9.890 -18.477 -5.642 1.00 40.46 ? 207 THR A O 1 ATOM 1343 C CB . THR A 1 176 ? 11.880 -20.883 -6.265 1.00 37.39 ? 207 THR A CB 1 ATOM 1344 O OG1 . THR A 1 176 ? 10.576 -21.129 -6.811 1.00 39.35 ? 207 THR A OG1 1 ATOM 1345 C CG2 . THR A 1 176 ? 12.466 -22.180 -5.725 1.00 36.98 ? 207 THR A CG2 1 ATOM 1346 N N . VAL A 1 177 ? 11.866 -17.732 -6.412 1.00 37.34 ? 208 VAL A N 1 ATOM 1347 C CA . VAL A 1 177 ? 11.291 -16.537 -7.084 1.00 38.74 ? 208 VAL A CA 1 ATOM 1348 C C . VAL A 1 177 ? 11.811 -16.308 -8.520 1.00 37.88 ? 208 VAL A C 1 ATOM 1349 O O . VAL A 1 177 ? 12.970 -16.642 -8.878 1.00 36.13 ? 208 VAL A O 1 ATOM 1350 C CB . VAL A 1 177 ? 11.407 -15.229 -6.243 1.00 39.41 ? 208 VAL A CB 1 ATOM 1351 C CG1 . VAL A 1 177 ? 11.705 -15.551 -4.794 1.00 39.72 ? 208 VAL A CG1 1 ATOM 1352 C CG2 . VAL A 1 177 ? 12.455 -14.289 -6.788 1.00 38.32 ? 208 VAL A CG2 1 ATOM 1353 N N . THR A 1 178 ? 10.913 -15.742 -9.331 1.00 39.58 ? 209 THR A N 1 ATOM 1354 C CA . THR A 1 178 ? 11.136 -15.520 -10.750 1.00 39.24 ? 209 THR A CA 1 ATOM 1355 C C . THR A 1 178 ? 11.301 -14.038 -11.013 1.00 39.69 ? 209 THR A C 1 ATOM 1356 O O . THR A 1 178 ? 10.532 -13.218 -10.515 1.00 41.48 ? 209 THR A O 1 ATOM 1357 C CB . THR A 1 178 ? 9.959 -16.064 -11.589 1.00 41.09 ? 209 THR A CB 1 ATOM 1358 O OG1 . THR A 1 178 ? 9.881 -17.480 -11.427 1.00 41.06 ? 209 THR A OG1 1 ATOM 1359 C CG2 . THR A 1 178 ? 10.143 -15.754 -13.051 1.00 40.95 ? 209 THR A CG2 1 ATOM 1360 N N . ILE A 1 179 ? 12.330 -13.703 -11.777 1.00 38.34 ? 210 ILE A N 1 ATOM 1361 C CA . ILE A 1 179 ? 12.518 -12.342 -12.234 1.00 39.42 ? 210 ILE A CA 1 ATOM 1362 C C . ILE A 1 179 ? 12.312 -12.263 -13.753 1.00 39.66 ? 210 ILE A C 1 ATOM 1363 O O . ILE A 1 179 ? 12.918 -13.016 -14.514 1.00 38.36 ? 210 ILE A O 1 ATOM 1364 C CB . ILE A 1 179 ? 13.904 -11.792 -11.830 1.00 38.69 ? 210 ILE A CB 1 ATOM 1365 C CG1 . ILE A 1 179 ? 14.123 -11.971 -10.308 1.00 39.57 ? 210 ILE A CG1 1 ATOM 1366 C CG2 . ILE A 1 179 ? 14.046 -10.343 -12.262 1.00 39.25 ? 210 ILE A CG2 1 ATOM 1367 C CD1 . ILE A 1 179 ? 14.870 -10.836 -9.623 1.00 40.88 ? 210 ILE A CD1 1 ATOM 1368 N N . ILE A 1 180 ? 11.418 -11.363 -14.163 1.00 41.37 ? 211 ILE A N 1 ATOM 1369 C CA . ILE A 1 180 ? 11.187 -11.030 -15.566 1.00 41.52 ? 211 ILE A CA 1 ATOM 1370 C C . ILE A 1 180 ? 11.747 -9.637 -15.881 1.00 41.76 ? 211 ILE A C 1 ATOM 1371 O O . ILE A 1 180 ? 11.240 -8.626 -15.401 1.00 43.48 ? 211 ILE A O 1 ATOM 1372 C CB . ILE A 1 180 ? 9.683 -11.054 -15.883 1.00 44.12 ? 211 ILE A CB 1 ATOM 1373 C CG1 . ILE A 1 180 ? 9.119 -12.438 -15.550 1.00 44.86 ? 211 ILE A CG1 1 ATOM 1374 C CG2 . ILE A 1 180 ? 9.410 -10.646 -17.330 1.00 44.38 ? 211 ILE A CG2 1 ATOM 1375 C CD1 . ILE A 1 180 ? 7.619 -12.535 -15.699 1.00 48.79 ? 211 ILE A CD1 1 ATOM 1376 N N . SER A 1 181 ? 12.781 -9.585 -16.710 1.00 40.39 ? 212 SER A N 1 ATOM 1377 C CA . SER A 1 181 ? 13.387 -8.310 -17.077 1.00 41.15 ? 212 SER A CA 1 ATOM 1378 C C . SER A 1 181 ? 13.117 -7.857 -18.514 1.00 41.68 ? 212 SER A C 1 ATOM 1379 O O . SER A 1 181 ? 13.588 -8.474 -19.458 1.00 39.83 ? 212 SER A O 1 ATOM 1380 C CB . SER A 1 181 ? 14.890 -8.353 -16.841 1.00 39.82 ? 212 SER A CB 1 ATOM 1381 O OG . SER A 1 181 ? 15.483 -7.090 -17.147 1.00 40.62 ? 212 SER A OG 1 ATOM 1382 N N . ARG A 1 182 ? 12.391 -6.743 -18.651 1.00 43.87 ? 213 ARG A N 1 ATOM 1383 C CA . ARG A 1 182 ? 12.041 -6.208 -19.957 1.00 44.65 ? 213 ARG A CA 1 ATOM 1384 C C . ARG A 1 182 ? 12.879 -4.987 -20.219 1.00 44.65 ? 213 ARG A C 1 ATOM 1385 O O . ARG A 1 182 ? 12.851 -4.008 -19.456 1.00 46.15 ? 213 ARG A O 1 ATOM 1386 C CB . ARG A 1 182 ? 10.566 -5.827 -20.051 1.00 47.75 ? 213 ARG A CB 1 ATOM 1387 C CG . ARG A 1 182 ? 9.716 -6.346 -18.928 1.00 49.11 ? 213 ARG A CG 1 ATOM 1388 C CD . ARG A 1 182 ? 8.511 -7.065 -19.435 1.00 51.09 ? 213 ARG A CD 1 ATOM 1389 N NE . ARG A 1 182 ? 7.728 -7.507 -18.294 1.00 53.76 ? 213 ARG A NE 1 ATOM 1390 C CZ . ARG A 1 182 ? 6.669 -8.306 -18.372 1.00 56.31 ? 213 ARG A CZ 1 ATOM 1391 N NH1 . ARG A 1 182 ? 6.253 -8.757 -19.567 1.00 57.25 ? 213 ARG A NH1 1 ATOM 1392 N NH2 . ARG A 1 182 ? 6.020 -8.657 -17.254 1.00 57.52 ? 213 ARG A NH2 1 ATOM 1393 N N . TYR A 1 183 ? 13.620 -5.051 -21.313 1.00 43.23 ? 214 TYR A N 1 ATOM 1394 C CA . TYR A 1 183 ? 14.478 -3.961 -21.705 1.00 43.37 ? 214 TYR A CA 1 ATOM 1395 C C . TYR A 1 183 ? 13.740 -3.095 -22.714 1.00 45.20 ? 214 TYR A C 1 ATOM 1396 O O . TYR A 1 183 ? 13.331 -3.559 -23.765 1.00 45.15 ? 214 TYR A O 1 ATOM 1397 C CB . TYR A 1 183 ? 15.781 -4.502 -22.287 1.00 41.36 ? 214 TYR A CB 1 ATOM 1398 C CG . TYR A 1 183 ? 16.822 -3.431 -22.530 1.00 41.61 ? 214 TYR A CG 1 ATOM 1399 C CD1 . TYR A 1 183 ? 17.123 -3.017 -23.814 1.00 41.54 ? 214 TYR A CD1 1 ATOM 1400 C CD2 . TYR A 1 183 ? 17.496 -2.830 -21.470 1.00 42.12 ? 214 TYR A CD2 1 ATOM 1401 C CE1 . TYR A 1 183 ? 18.070 -2.039 -24.046 1.00 41.94 ? 214 TYR A CE1 1 ATOM 1402 C CE2 . TYR A 1 183 ? 18.448 -1.849 -21.688 1.00 42.78 ? 214 TYR A CE2 1 ATOM 1403 C CZ . TYR A 1 183 ? 18.733 -1.456 -22.976 1.00 42.82 ? 214 TYR A CZ 1 ATOM 1404 O OH . TYR A 1 183 ? 19.684 -0.488 -23.203 1.00 44.03 ? 214 TYR A OH 1 ATOM 1405 N N . SER A 1 184 ? 13.579 -1.827 -22.379 1.00 47.70 ? 215 SER A N 1 ATOM 1406 C CA . SER A 1 184 ? 12.721 -0.927 -23.147 1.00 50.18 ? 215 SER A CA 1 ATOM 1407 C C . SER A 1 184 ? 13.497 0.263 -23.613 1.00 51.11 ? 215 SER A C 1 ATOM 1408 O O . SER A 1 184 ? 14.374 0.713 -22.863 1.00 51.18 ? 215 SER A O 1 ATOM 1409 C CB . SER A 1 184 ? 11.575 -0.446 -22.269 1.00 53.36 ? 215 SER A CB 1 ATOM 1410 O OG . SER A 1 184 ? 10.768 -1.540 -21.889 1.00 53.55 ? 215 SER A OG 1 ATOM 1411 N N . LEU A 1 185 ? 13.194 0.784 -24.826 1.00 51.84 ? 216 LEU A N 1 ATOM 1412 C CA . LEU A 1 185 ? 13.914 2.006 -25.312 1.00 52.96 ? 216 LEU A CA 1 ATOM 1413 C C . LEU A 1 185 ? 12.977 2.130 -26.500 1.00 54.18 ? 216 LEU A C 1 ATOM 1414 O O . LEU A 1 185 ? 12.367 1.112 -26.872 1.00 53.83 ? 216 LEU A O 1 ATOM 1415 C CB . LEU A 1 185 ? 15.252 1.666 -25.989 1.00 50.38 ? 216 LEU A CB 1 ATOM 1416 C CG . LEU A 1 185 ? 15.412 0.428 -26.852 1.00 47.95 ? 216 LEU A CG 1 ATOM 1417 C CD1 . LEU A 1 185 ? 14.603 0.540 -28.125 1.00 48.77 ? 216 LEU A CD1 1 ATOM 1418 C CD2 . LEU A 1 185 ? 16.884 0.250 -27.180 1.00 45.94 ? 216 LEU A CD2 1 ATOM 1419 N N . VAL A 1 186 ? 12.803 3.334 -27.040 1.00 56.08 ? 217 VAL A N 1 ATOM 1420 C CA . VAL A 1 186 ? 11.779 3.651 -28.098 1.00 57.58 ? 217 VAL A CA 1 ATOM 1421 C C . VAL A 1 186 ? 12.442 3.204 -29.379 1.00 54.73 ? 217 VAL A C 1 ATOM 1422 O O . VAL A 1 186 ? 13.509 3.681 -29.738 1.00 53.47 ? 217 VAL A O 1 ATOM 1423 C CB . VAL A 1 186 ? 11.869 5.212 -27.895 1.00 59.91 ? 217 VAL A CB 1 ATOM 1424 C CG1 . VAL A 1 186 ? 13.281 5.741 -28.117 1.00 58.83 ? 217 VAL A CG1 1 ATOM 1425 C CG2 . VAL A 1 186 ? 10.899 5.892 -28.847 1.00 62.00 ? 217 VAL A CG2 1 ATOM 1426 N N . PRO A 1 187 ? 11.804 2.246 -30.041 1.00 54.06 ? 218 PRO A N 1 ATOM 1427 C CA . PRO A 1 187 ? 12.353 1.466 -31.130 1.00 52.52 ? 218 PRO A CA 1 ATOM 1428 C C . PRO A 1 187 ? 12.715 2.292 -32.370 1.00 52.78 ? 218 PRO A C 1 ATOM 1429 O O . PRO A 1 187 ? 11.829 2.807 -33.041 1.00 54.89 ? 218 PRO A O 1 ATOM 1430 C CB . PRO A 1 187 ? 11.233 0.455 -31.431 1.00 54.08 ? 218 PRO A CB 1 ATOM 1431 C CG . PRO A 1 187 ? 9.981 1.063 -30.894 1.00 56.92 ? 218 PRO A CG 1 ATOM 1432 C CD . PRO A 1 187 ? 10.402 1.896 -29.740 1.00 56.71 ? 218 PRO A CD 1 ATOM 1433 N N . VAL A 1 188 ? 14.009 2.399 -32.667 1.00 21.96 ? 219 VAL A N 1 ATOM 1434 C CA . VAL A 1 188 ? 14.463 3.344 -33.688 1.00 22.06 ? 219 VAL A CA 1 ATOM 1435 C C . VAL A 1 188 ? 14.757 2.776 -35.086 1.00 22.44 ? 219 VAL A C 1 ATOM 1436 O O . VAL A 1 188 ? 14.413 3.430 -36.093 1.00 23.64 ? 219 VAL A O 1 ATOM 1437 C CB . VAL A 1 188 ? 15.658 4.215 -33.211 1.00 21.85 ? 219 VAL A CB 1 ATOM 1438 C CG1 . VAL A 1 188 ? 15.193 5.306 -32.255 1.00 21.65 ? 219 VAL A CG1 1 ATOM 1439 C CG2 . VAL A 1 188 ? 16.772 3.380 -32.605 1.00 21.29 ? 219 VAL A CG2 1 ATOM 1440 N N . GLY A 1 189 ? 15.377 1.604 -35.183 1.00 21.88 ? 220 GLY A N 1 ATOM 1441 C CA . GLY A 1 189 ? 15.710 1.052 -36.502 1.00 22.05 ? 220 GLY A CA 1 ATOM 1442 C C . GLY A 1 189 ? 17.152 0.604 -36.550 1.00 22.17 ? 220 GLY A C 1 ATOM 1443 O O . GLY A 1 189 ? 17.483 -0.452 -37.084 1.00 22.30 ? 220 GLY A O 1 ATOM 1444 N N . ARG A 1 190 ? 18.007 1.425 -35.959 1.00 22.15 ? 221 ARG A N 1 ATOM 1445 C CA . ARG A 1 190 ? 19.414 1.101 -35.740 1.00 21.52 ? 221 ARG A CA 1 ATOM 1446 C C . ARG A 1 190 ? 19.514 0.221 -34.484 1.00 21.44 ? 221 ARG A C 1 ATOM 1447 O O . ARG A 1 190 ? 20.607 0.009 -33.945 1.00 22.31 ? 221 ARG A O 1 ATOM 1448 C CB . ARG A 1 190 ? 20.276 2.381 -35.616 1.00 21.17 ? 221 ARG A CB 1 ATOM 1449 C CG . ARG A 1 190 ? 19.468 3.664 -35.573 1.00 21.09 ? 221 ARG A CG 1 ATOM 1450 C CD . ARG A 1 190 ? 20.129 4.802 -34.824 1.00 21.17 ? 221 ARG A CD 1 ATOM 1451 N NE . ARG A 1 190 ? 19.806 6.103 -35.424 1.00 21.29 ? 221 ARG A NE 1 ATOM 1452 C CZ . ARG A 1 190 ? 18.592 6.657 -35.477 1.00 21.29 ? 221 ARG A CZ 1 ATOM 1453 N NH1 . ARG A 1 190 ? 17.530 6.030 -34.960 1.00 21.46 ? 221 ARG A NH1 1 ATOM 1454 N NH2 . ARG A 1 190 ? 18.444 7.845 -36.063 1.00 21.06 ? 221 ARG A NH2 1 ATOM 1455 N N . ALA A 1 191 ? 18.373 -0.289 -34.022 1.00 20.71 ? 222 ALA A N 1 ATOM 1456 C CA . ALA A 1 191 ? 18.354 -1.300 -32.995 1.00 20.78 ? 222 ALA A CA 1 ATOM 1457 C C . ALA A 1 191 ? 18.533 -2.637 -33.654 1.00 20.59 ? 222 ALA A C 1 ATOM 1458 O O . ALA A 1 191 ? 19.173 -3.521 -33.103 1.00 20.41 ? 222 ALA A O 1 ATOM 1459 C CB . ALA A 1 191 ? 17.037 -1.276 -32.249 1.00 21.64 ? 222 ALA A CB 1 ATOM 1460 N N . ASP A 1 192 ? 17.959 -2.784 -34.843 1.00 20.53 ? 223 ASP A N 1 ATOM 1461 C CA . ASP A 1 192 ? 17.928 -4.073 -35.505 1.00 20.57 ? 223 ASP A CA 1 ATOM 1462 C C . ASP A 1 192 ? 19.301 -4.694 -35.528 1.00 20.32 ? 223 ASP A C 1 ATOM 1463 O O . ASP A 1 192 ? 20.271 -4.046 -35.894 1.00 20.51 ? 223 ASP A O 1 ATOM 1464 C CB . ASP A 1 192 ? 17.391 -3.944 -36.928 1.00 20.91 ? 223 ASP A CB 1 ATOM 1465 C CG . ASP A 1 192 ? 17.180 -5.292 -37.605 1.00 21.26 ? 223 ASP A CG 1 ATOM 1466 O OD1 . ASP A 1 192 ? 16.081 -5.898 -37.444 1.00 21.79 ? 223 ASP A OD1 1 ATOM 1467 O OD2 . ASP A 1 192 ? 18.108 -5.726 -38.325 1.00 20.85 ? 223 ASP A OD2 1 ATOM 1468 N N . GLY A 1 193 ? 19.375 -5.948 -35.083 1.00 20.44 ? 224 GLY A N 1 ATOM 1469 C CA . GLY A 1 193 ? 20.588 -6.778 -35.192 1.00 19.91 ? 224 GLY A CA 1 ATOM 1470 C C . GLY A 1 193 ? 21.637 -6.514 -34.136 1.00 19.42 ? 224 GLY A C 1 ATOM 1471 O O . GLY A 1 193 ? 22.653 -7.204 -34.095 1.00 19.18 ? 224 GLY A O 1 ATOM 1472 N N . VAL A 1 194 ? 21.389 -5.515 -33.281 1.00 19.38 ? 225 VAL A N 1 ATOM 1473 C CA . VAL A 1 194 ? 22.335 -5.119 -32.244 1.00 18.81 ? 225 VAL A CA 1 ATOM 1474 C C . VAL A 1 194 ? 22.299 -6.107 -31.097 1.00 18.66 ? 225 VAL A C 1 ATOM 1475 O O . VAL A 1 194 ? 21.282 -6.267 -30.428 1.00 17.70 ? 225 VAL A O 1 ATOM 1476 C CB . VAL A 1 194 ? 22.058 -3.707 -31.714 1.00 18.53 ? 225 VAL A CB 1 ATOM 1477 C CG1 . VAL A 1 194 ? 22.964 -3.428 -30.530 1.00 18.37 ? 225 VAL A CG1 1 ATOM 1478 C CG2 . VAL A 1 194 ? 22.252 -2.661 -32.816 1.00 18.26 ? 225 VAL A CG2 1 ATOM 1479 N N . LYS A 1 195 ? 23.434 -6.777 -30.893 1.00 19.48 ? 226 LYS A N 1 ATOM 1480 C CA . LYS A 1 195 ? 23.556 -7.810 -29.853 1.00 19.72 ? 226 LYS A CA 1 ATOM 1481 C C . LYS A 1 195 ? 23.639 -7.144 -28.463 1.00 19.41 ? 226 LYS A C 1 ATOM 1482 O O . LYS A 1 195 ? 24.444 -6.246 -28.199 1.00 18.68 ? 226 LYS A O 1 ATOM 1483 C CB . LYS A 1 195 ? 24.751 -8.767 -30.082 1.00 20.17 ? 226 LYS A CB 1 ATOM 1484 C CG . LYS A 1 195 ? 24.966 -9.247 -31.532 1.00 20.72 ? 226 LYS A CG 1 ATOM 1485 C CD . LYS A 1 195 ? 25.032 -10.774 -31.661 1.00 21.04 ? 226 LYS A CD 1 ATOM 1486 C CE . LYS A 1 195 ? 25.441 -11.214 -33.078 1.00 21.36 ? 226 LYS A CE 1 ATOM 1487 N NZ . LYS A 1 195 ? 25.106 -12.640 -33.435 1.00 21.37 ? 226 LYS A NZ 1 ATOM 1488 N N . VAL A 1 196 ? 22.773 -7.614 -27.594 1.00 19.15 ? 227 VAL A N 1 ATOM 1489 C CA . VAL A 1 196 ? 22.550 -7.052 -26.296 1.00 18.92 ? 227 VAL A CA 1 ATOM 1490 C C . VAL A 1 196 ? 22.601 -8.269 -25.393 1.00 18.78 ? 227 VAL A C 1 ATOM 1491 O O . VAL A 1 196 ? 22.022 -9.300 -25.738 1.00 19.12 ? 227 VAL A O 1 ATOM 1492 C CB . VAL A 1 196 ? 21.154 -6.368 -26.276 1.00 18.99 ? 227 VAL A CB 1 ATOM 1493 C CG1 . VAL A 1 196 ? 20.475 -6.518 -24.935 1.00 19.26 ? 227 VAL A CG1 1 ATOM 1494 C CG2 . VAL A 1 196 ? 21.264 -4.902 -26.669 1.00 18.95 ? 227 VAL A CG2 1 ATOM 1495 N N . THR A 1 197 ? 23.296 -8.184 -24.262 1.00 18.76 ? 228 THR A N 1 ATOM 1496 C CA . THR A 1 197 ? 23.372 -9.347 -23.345 1.00 18.96 ? 228 THR A CA 1 ATOM 1497 C C . THR A 1 197 ? 22.521 -9.233 -22.071 1.00 19.00 ? 228 THR A C 1 ATOM 1498 O O . THR A 1 197 ? 22.535 -8.226 -21.388 1.00 18.80 ? 228 THR A O 1 ATOM 1499 C CB . THR A 1 197 ? 24.819 -9.716 -22.979 1.00 18.58 ? 228 THR A CB 1 ATOM 1500 O OG1 . THR A 1 197 ? 25.491 -10.183 -24.146 1.00 18.01 ? 228 THR A OG1 1 ATOM 1501 C CG2 . THR A 1 197 ? 24.845 -10.811 -21.953 1.00 18.52 ? 228 THR A CG2 1 ATOM 1502 N N . CYS A 1 198 ? 21.749 -10.282 -21.807 1.00 19.72 ? 229 CYS A N 1 ATOM 1503 C CA . CYS A 1 198 ? 21.079 -10.455 -20.536 1.00 20.41 ? 229 CYS A CA 1 ATOM 1504 C C . CYS A 1 198 ? 22.031 -11.162 -19.594 1.00 20.62 ? 229 CYS A C 1 ATOM 1505 O O . CYS A 1 198 ? 22.548 -12.245 -19.891 1.00 20.82 ? 229 CYS A O 1 ATOM 1506 C CB . CYS A 1 198 ? 19.808 -11.292 -20.643 1.00 21.02 ? 229 CYS A CB 1 ATOM 1507 S SG . CYS A 1 198 ? 19.194 -11.621 -18.970 1.00 22.73 ? 229 CYS A SG 1 ATOM 1508 N N . ARG A 1 199 ? 22.244 -10.562 -18.442 1.00 20.80 ? 230 ARG A N 1 ATOM 1509 C CA . ARG A 1 199 ? 23.204 -11.085 -17.521 1.00 21.21 ? 230 ARG A CA 1 ATOM 1510 C C . ARG A 1 199 ? 22.533 -11.430 -16.235 1.00 21.27 ? 230 ARG A C 1 ATOM 1511 O O . ARG A 1 199 ? 22.081 -10.539 -15.511 1.00 21.50 ? 230 ARG A O 1 ATOM 1512 C CB . ARG A 1 199 ? 24.308 -10.076 -17.279 1.00 21.55 ? 230 ARG A CB 1 ATOM 1513 C CG . ARG A 1 199 ? 25.201 -10.419 -16.119 1.00 21.98 ? 230 ARG A CG 1 ATOM 1514 C CD . ARG A 1 199 ? 26.484 -9.639 -16.217 1.00 22.57 ? 230 ARG A CD 1 ATOM 1515 N NE . ARG A 1 199 ? 26.988 -9.330 -14.899 1.00 23.45 ? 230 ARG A NE 1 ATOM 1516 C CZ . ARG A 1 199 ? 28.274 -9.175 -14.605 1.00 24.51 ? 230 ARG A CZ 1 ATOM 1517 N NH1 . ARG A 1 199 ? 29.216 -9.317 -15.560 1.00 24.62 ? 230 ARG A NH1 1 ATOM 1518 N NH2 . ARG A 1 199 ? 28.619 -8.880 -13.335 1.00 24.95 ? 230 ARG A NH2 1 ATOM 1519 N N . VAL A 1 200 ? 22.516 -12.726 -15.940 1.00 20.96 ? 231 VAL A N 1 ATOM 1520 C CA . VAL A 1 200 ? 21.961 -13.212 -14.702 1.00 21.15 ? 231 VAL A CA 1 ATOM 1521 C C . VAL A 1 200 ? 23.069 -13.678 -13.732 1.00 21.69 ? 231 VAL A C 1 ATOM 1522 O O . VAL A 1 200 ? 23.949 -14.468 -14.085 1.00 21.33 ? 231 VAL A O 1 ATOM 1523 C CB . VAL A 1 200 ? 20.866 -14.270 -14.945 1.00 20.89 ? 231 VAL A CB 1 ATOM 1524 C CG1 . VAL A 1 200 ? 21.248 -15.183 -16.083 1.00 20.90 ? 231 VAL A CG1 1 ATOM 1525 C CG2 . VAL A 1 200 ? 20.565 -15.054 -13.676 1.00 20.76 ? 231 VAL A CG2 1 ATOM 1526 N N . GLU A 1 201 ? 23.013 -13.130 -12.512 1.00 22.21 ? 232 GLU A N 1 ATOM 1527 C CA . GLU A 1 201 ? 23.914 -13.483 -11.415 1.00 22.10 ? 232 GLU A CA 1 ATOM 1528 C C . GLU A 1 201 ? 23.141 -14.290 -10.426 1.00 21.52 ? 232 GLU A C 1 ATOM 1529 O O . GLU A 1 201 ? 22.032 -13.934 -10.089 1.00 22.07 ? 232 GLU A O 1 ATOM 1530 C CB . GLU A 1 201 ? 24.408 -12.237 -10.713 1.00 22.50 ? 232 GLU A CB 1 ATOM 1531 C CG . GLU A 1 201 ? 25.108 -11.275 -11.648 1.00 23.54 ? 232 GLU A CG 1 ATOM 1532 C CD . GLU A 1 201 ? 25.097 -9.860 -11.120 1.00 24.18 ? 232 GLU A CD 1 ATOM 1533 O OE1 . GLU A 1 201 ? 24.549 -8.965 -11.827 1.00 24.57 ? 232 GLU A OE1 1 ATOM 1534 O OE2 . GLU A 1 201 ? 25.615 -9.660 -9.993 1.00 24.01 ? 232 GLU A OE2 1 ATOM 1535 N N . HIS A 1 202 ? 23.715 -15.377 -9.952 1.00 20.70 ? 233 HIS A N 1 ATOM 1536 C CA . HIS A 1 202 ? 23.049 -16.176 -8.952 1.00 20.40 ? 233 HIS A CA 1 ATOM 1537 C C . HIS A 1 202 ? 24.034 -17.030 -8.264 1.00 20.56 ? 233 HIS A C 1 ATOM 1538 O O . HIS A 1 202 ? 25.002 -17.472 -8.876 1.00 20.64 ? 233 HIS A O 1 ATOM 1539 C CB . HIS A 1 202 ? 21.994 -17.045 -9.585 1.00 20.50 ? 233 HIS A CB 1 ATOM 1540 C CG . HIS A 1 202 ? 21.201 -17.819 -8.597 1.00 20.32 ? 233 HIS A CG 1 ATOM 1541 N ND1 . HIS A 1 202 ? 20.082 -17.345 -8.043 1.00 20.39 ? 233 HIS A ND1 1 ATOM 1542 C CD2 . HIS A 1 202 ? 21.417 -19.062 -8.047 1.00 20.22 ? 233 HIS A CD2 1 ATOM 1543 C CE1 . HIS A 1 202 ? 19.608 -18.248 -7.181 1.00 20.28 ? 233 HIS A CE1 1 ATOM 1544 N NE2 . HIS A 1 202 ? 20.428 -19.299 -7.187 1.00 20.34 ? 233 HIS A NE2 1 ATOM 1545 N N . GLU A 1 203 ? 23.793 -17.280 -6.980 1.00 20.74 ? 234 GLU A N 1 ATOM 1546 C CA . GLU A 1 203 ? 24.746 -18.012 -6.124 1.00 20.83 ? 234 GLU A CA 1 ATOM 1547 C C . GLU A 1 203 ? 25.229 -19.338 -6.727 1.00 20.62 ? 234 GLU A C 1 ATOM 1548 O O . GLU A 1 203 ? 26.403 -19.698 -6.608 1.00 20.69 ? 234 GLU A O 1 ATOM 1549 C CB . GLU A 1 203 ? 24.088 -18.353 -4.804 1.00 20.95 ? 234 GLU A CB 1 ATOM 1550 C CG . GLU A 1 203 ? 24.000 -17.249 -3.785 1.00 20.98 ? 234 GLU A CG 1 ATOM 1551 C CD . GLU A 1 203 ? 23.933 -17.850 -2.392 1.00 21.60 ? 234 GLU A CD 1 ATOM 1552 O OE1 . GLU A 1 203 ? 22.887 -17.711 -1.702 1.00 21.68 ? 234 GLU A OE1 1 ATOM 1553 O OE2 . GLU A 1 203 ? 24.928 -18.506 -1.997 1.00 22.05 ? 234 GLU A OE2 1 ATOM 1554 N N . SER A 1 204 ? 24.299 -20.047 -7.361 1.00 20.22 ? 235 SER A N 1 ATOM 1555 C CA . SER A 1 204 ? 24.498 -21.422 -7.833 1.00 20.51 ? 235 SER A CA 1 ATOM 1556 C C . SER A 1 204 ? 25.428 -21.524 -9.053 1.00 20.35 ? 235 SER A C 1 ATOM 1557 O O . SER A 1 204 ? 25.833 -22.623 -9.451 1.00 19.23 ? 235 SER A O 1 ATOM 1558 C CB . SER A 1 204 ? 23.142 -22.073 -8.156 1.00 20.79 ? 235 SER A CB 1 ATOM 1559 O OG . SER A 1 204 ? 22.497 -21.405 -9.233 1.00 21.39 ? 235 SER A OG 1 ATOM 1560 N N . PHE A 1 205 ? 25.748 -20.369 -9.638 1.00 20.73 ? 236 PHE A N 1 ATOM 1561 C CA . PHE A 1 205 ? 26.692 -20.279 -10.753 1.00 20.95 ? 236 PHE A CA 1 ATOM 1562 C C . PHE A 1 205 ? 27.960 -19.570 -10.274 1.00 20.98 ? 236 PHE A C 1 ATOM 1563 O O . PHE A 1 205 ? 27.883 -18.593 -9.529 1.00 20.69 ? 236 PHE A O 1 ATOM 1564 C CB . PHE A 1 205 ? 26.093 -19.490 -11.933 1.00 20.75 ? 236 PHE A CB 1 ATOM 1565 C CG . PHE A 1 205 ? 24.660 -19.828 -12.252 1.00 20.44 ? 236 PHE A CG 1 ATOM 1566 C CD1 . PHE A 1 205 ? 23.686 -18.841 -12.266 1.00 20.52 ? 236 PHE A CD1 1 ATOM 1567 C CD2 . PHE A 1 205 ? 24.291 -21.120 -12.575 1.00 20.57 ? 236 PHE A CD2 1 ATOM 1568 C CE1 . PHE A 1 205 ? 22.371 -19.146 -12.577 1.00 20.61 ? 236 PHE A CE1 1 ATOM 1569 C CE2 . PHE A 1 205 ? 22.974 -21.431 -12.882 1.00 20.55 ? 236 PHE A CE2 1 ATOM 1570 C CZ . PHE A 1 205 ? 22.016 -20.445 -12.884 1.00 20.46 ? 236 PHE A CZ 1 ATOM 1571 N N . GLU A 1 206 ? 29.121 -20.053 -10.706 1.00 21.51 ? 237 GLU A N 1 ATOM 1572 C CA . GLU A 1 206 ? 30.393 -19.438 -10.294 1.00 22.46 ? 237 GLU A CA 1 ATOM 1573 C C . GLU A 1 206 ? 30.520 -18.019 -10.859 1.00 22.87 ? 237 GLU A C 1 ATOM 1574 O O . GLU A 1 206 ? 31.084 -17.118 -10.219 1.00 23.39 ? 237 GLU A O 1 ATOM 1575 C CB . GLU A 1 206 ? 31.600 -20.262 -10.740 1.00 22.53 ? 237 GLU A CB 1 ATOM 1576 C CG . GLU A 1 206 ? 32.289 -21.048 -9.652 1.00 22.94 ? 237 GLU A CG 1 ATOM 1577 C CD . GLU A 1 206 ? 33.658 -21.576 -10.116 1.00 24.50 ? 237 GLU A CD 1 ATOM 1578 O OE1 . GLU A 1 206 ? 34.310 -20.953 -11.015 1.00 24.49 ? 237 GLU A OE1 1 ATOM 1579 O OE2 . GLU A 1 206 ? 34.098 -22.624 -9.578 1.00 25.52 ? 237 GLU A OE2 1 ATOM 1580 N N . GLU A 1 207 ? 30.020 -17.839 -12.072 1.00 22.45 ? 238 GLU A N 1 ATOM 1581 C CA . GLU A 1 207 ? 30.079 -16.569 -12.732 1.00 21.94 ? 238 GLU A CA 1 ATOM 1582 C C . GLU A 1 207 ? 28.737 -16.259 -13.278 1.00 21.63 ? 238 GLU A C 1 ATOM 1583 O O . GLU A 1 207 ? 27.993 -17.169 -13.610 1.00 21.21 ? 238 GLU A O 1 ATOM 1584 C CB . GLU A 1 207 ? 31.022 -16.651 -13.902 1.00 22.11 ? 238 GLU A CB 1 ATOM 1585 C CG . GLU A 1 207 ? 32.460 -16.399 -13.576 1.00 22.12 ? 238 GLU A CG 1 ATOM 1586 C CD . GLU A 1 207 ? 33.283 -16.418 -14.831 1.00 22.77 ? 238 GLU A CD 1 ATOM 1587 O OE1 . GLU A 1 207 ? 32.810 -15.896 -15.876 1.00 22.65 ? 238 GLU A OE1 1 ATOM 1588 O OE2 . GLU A 1 207 ? 34.394 -16.980 -14.783 1.00 23.85 ? 238 GLU A OE2 1 ATOM 1589 N N . PRO A 1 208 ? 28.443 -14.969 -13.443 1.00 21.95 ? 239 PRO A N 1 ATOM 1590 C CA . PRO A 1 208 ? 27.234 -14.542 -14.127 1.00 22.05 ? 239 PRO A CA 1 ATOM 1591 C C . PRO A 1 208 ? 27.005 -15.256 -15.460 1.00 21.35 ? 239 PRO A C 1 ATOM 1592 O O . PRO A 1 208 ? 27.950 -15.600 -16.173 1.00 20.92 ? 239 PRO A O 1 ATOM 1593 C CB . PRO A 1 208 ? 27.501 -13.057 -14.382 1.00 22.43 ? 239 PRO A CB 1 ATOM 1594 C CG . PRO A 1 208 ? 28.351 -12.659 -13.246 1.00 22.26 ? 239 PRO A CG 1 ATOM 1595 C CD . PRO A 1 208 ? 29.272 -13.814 -13.052 1.00 22.12 ? 239 PRO A CD 1 ATOM 1596 N N . ILE A 1 209 ? 25.743 -15.469 -15.779 1.00 21.09 ? 240 ILE A N 1 ATOM 1597 C CA . ILE A 1 209 ? 25.369 -16.104 -17.026 1.00 20.82 ? 240 ILE A CA 1 ATOM 1598 C C . ILE A 1 209 ? 25.102 -14.997 -18.046 1.00 20.51 ? 240 ILE A C 1 ATOM 1599 O O . ILE A 1 209 ? 24.411 -14.022 -17.755 1.00 20.22 ? 240 ILE A O 1 ATOM 1600 C CB . ILE A 1 209 ? 24.119 -17.006 -16.861 1.00 20.69 ? 240 ILE A CB 1 ATOM 1601 C CG1 . ILE A 1 209 ? 24.314 -18.039 -15.743 1.00 20.45 ? 240 ILE A CG1 1 ATOM 1602 C CG2 . ILE A 1 209 ? 23.808 -17.717 -18.157 1.00 20.94 ? 240 ILE A CG2 1 ATOM 1603 C CD1 . ILE A 1 209 ? 25.235 -19.182 -16.106 1.00 20.27 ? 240 ILE A CD1 1 ATOM 1604 N N . LEU A 1 210 ? 25.671 -15.162 -19.237 1.00 20.34 ? 241 LEU A N 1 ATOM 1605 C CA . LEU A 1 210 ? 25.525 -14.195 -20.319 1.00 19.68 ? 241 LEU A CA 1 ATOM 1606 C C . LEU A 1 210 ? 24.653 -14.752 -21.433 1.00 19.49 ? 241 LEU A C 1 ATOM 1607 O O . LEU A 1 210 ? 25.042 -15.711 -22.106 1.00 19.48 ? 241 LEU A O 1 ATOM 1608 C CB . LEU A 1 210 ? 26.892 -13.877 -20.891 1.00 19.38 ? 241 LEU A CB 1 ATOM 1609 C CG . LEU A 1 210 ? 27.939 -13.422 -19.907 1.00 19.26 ? 241 LEU A CG 1 ATOM 1610 C CD1 . LEU A 1 210 ? 29.273 -13.260 -20.601 1.00 19.26 ? 241 LEU A CD1 1 ATOM 1611 C CD2 . LEU A 1 210 ? 27.473 -12.113 -19.316 1.00 19.62 ? 241 LEU A CD2 1 ATOM 1612 N N . LEU A 1 211 ? 23.485 -14.148 -21.634 1.00 19.18 ? 242 LEU A N 1 ATOM 1613 C CA . LEU A 1 211 ? 22.556 -14.607 -22.655 1.00 19.11 ? 242 LEU A CA 1 ATOM 1614 C C . LEU A 1 211 ? 22.418 -13.584 -23.776 1.00 19.00 ? 242 LEU A C 1 ATOM 1615 O O . LEU A 1 211 ? 21.731 -12.583 -23.625 1.00 19.01 ? 242 LEU A O 1 ATOM 1616 C CB . LEU A 1 211 ? 21.192 -14.911 -22.053 1.00 19.03 ? 242 LEU A CB 1 ATOM 1617 C CG . LEU A 1 211 ? 21.177 -15.993 -20.990 1.00 18.97 ? 242 LEU A CG 1 ATOM 1618 C CD1 . LEU A 1 211 ? 19.822 -15.959 -20.309 1.00 19.75 ? 242 LEU A CD1 1 ATOM 1619 C CD2 . LEU A 1 211 ? 21.453 -17.369 -21.571 1.00 18.26 ? 242 LEU A CD2 1 ATOM 1620 N N . PRO A 1 212 ? 23.047 -13.854 -24.922 1.00 18.96 ? 243 PRO A N 1 ATOM 1621 C CA . PRO A 1 212 ? 23.018 -12.901 -26.010 1.00 18.85 ? 243 PRO A CA 1 ATOM 1622 C C . PRO A 1 212 ? 21.629 -12.793 -26.624 1.00 18.88 ? 243 PRO A C 1 ATOM 1623 O O . PRO A 1 212 ? 20.910 -13.801 -26.708 1.00 18.66 ? 243 PRO A O 1 ATOM 1624 C CB . PRO A 1 212 ? 23.995 -13.504 -27.020 1.00 19.02 ? 243 PRO A CB 1 ATOM 1625 C CG . PRO A 1 212 ? 23.912 -14.975 -26.791 1.00 19.06 ? 243 PRO A CG 1 ATOM 1626 C CD . PRO A 1 212 ? 23.606 -15.156 -25.334 1.00 19.03 ? 243 PRO A CD 1 ATOM 1627 N N . VAL A 1 213 ? 21.261 -11.577 -27.029 1.00 18.87 ? 244 VAL A N 1 ATOM 1628 C CA . VAL A 1 213 ? 20.040 -11.324 -27.817 1.00 18.94 ? 244 VAL A CA 1 ATOM 1629 C C . VAL A 1 213 ? 20.297 -10.299 -28.939 1.00 19.21 ? 244 VAL A C 1 ATOM 1630 O O . VAL A 1 213 ? 20.915 -9.259 -28.720 1.00 19.38 ? 244 VAL A O 1 ATOM 1631 C CB . VAL A 1 213 ? 18.893 -10.813 -26.940 1.00 18.67 ? 244 VAL A CB 1 ATOM 1632 C CG1 . VAL A 1 213 ? 17.743 -10.323 -27.802 1.00 18.68 ? 244 VAL A CG1 1 ATOM 1633 C CG2 . VAL A 1 213 ? 18.423 -11.910 -26.002 1.00 18.83 ? 244 VAL A CG2 1 ATOM 1634 N N . THR A 1 214 ? 19.835 -10.602 -30.146 1.00 19.30 ? 245 THR A N 1 ATOM 1635 C CA . THR A 1 214 ? 19.895 -9.636 -31.228 1.00 19.26 ? 245 THR A CA 1 ATOM 1636 C C . THR A 1 214 ? 18.511 -9.054 -31.452 1.00 19.48 ? 245 THR A C 1 ATOM 1637 O O . THR A 1 214 ? 17.540 -9.770 -31.693 1.00 18.90 ? 245 THR A O 1 ATOM 1638 C CB . THR A 1 214 ? 20.417 -10.245 -32.511 1.00 19.02 ? 245 THR A CB 1 ATOM 1639 O OG1 . THR A 1 214 ? 19.657 -11.406 -32.802 1.00 19.50 ? 245 THR A OG1 1 ATOM 1640 C CG2 . THR A 1 214 ? 21.830 -10.638 -32.339 1.00 19.25 ? 245 THR A CG2 1 ATOM 1641 N N . LEU A 1 215 ? 18.456 -7.731 -31.358 1.00 19.87 ? 246 LEU A N 1 ATOM 1642 C CA . LEU A 1 215 ? 17.229 -6.983 -31.402 1.00 20.17 ? 246 LEU A CA 1 ATOM 1643 C C . LEU A 1 215 ? 16.647 -6.967 -32.809 1.00 21.01 ? 246 LEU A C 1 ATOM 1644 O O . LEU A 1 215 ? 17.379 -6.927 -33.781 1.00 21.23 ? 246 LEU A O 1 ATOM 1645 C CB . LEU A 1 215 ? 17.498 -5.552 -30.919 1.00 19.90 ? 246 LEU A CB 1 ATOM 1646 C CG . LEU A 1 215 ? 17.403 -5.292 -29.406 1.00 19.49 ? 246 LEU A CG 1 ATOM 1647 C CD1 . LEU A 1 215 ? 17.687 -6.532 -28.598 1.00 19.16 ? 246 LEU A CD1 1 ATOM 1648 C CD2 . LEU A 1 215 ? 18.338 -4.173 -28.996 1.00 19.32 ? 246 LEU A CD2 1 ATOM 1649 N N . SER A 1 216 ? 15.324 -7.009 -32.907 1.00 22.19 ? 247 SER A N 1 ATOM 1650 C CA . SER A 1 216 ? 14.637 -6.816 -34.184 1.00 23.14 ? 247 SER A CA 1 ATOM 1651 C C . SER A 1 216 ? 13.896 -5.472 -34.197 1.00 24.09 ? 247 SER A C 1 ATOM 1652 O O . SER A 1 216 ? 13.619 -4.869 -33.149 1.00 24.15 ? 247 SER A O 1 ATOM 1653 C CB . SER A 1 216 ? 13.662 -7.956 -34.448 1.00 23.39 ? 247 SER A CB 1 ATOM 1654 O OG . SER A 1 216 ? 12.446 -7.459 -34.985 1.00 23.85 ? 247 SER A OG 1 ATOM 1655 N N . VAL A 1 217 ? 13.603 -5.006 -35.403 1.00 24.90 ? 248 VAL A N 1 ATOM 1656 C CA . VAL A 1 217 ? 12.776 -3.821 -35.610 1.00 26.11 ? 248 VAL A CA 1 ATOM 1657 C C . VAL A 1 217 ? 12.218 -3.900 -37.029 1.00 28.37 ? 248 VAL A C 1 ATOM 1658 O O . VAL A 1 217 ? 12.851 -4.482 -37.917 1.00 29.10 ? 248 VAL A O 1 ATOM 1659 C CB . VAL A 1 217 ? 13.566 -2.525 -35.433 1.00 25.39 ? 248 VAL A CB 1 ATOM 1660 C CG1 . VAL A 1 217 ? 13.718 -2.157 -33.954 1.00 24.36 ? 248 VAL A CG1 1 ATOM 1661 C CG2 . VAL A 1 217 ? 14.905 -2.667 -36.121 1.00 24.65 ? 248 VAL A CG2 1 ATOM 1662 N N . ARG A 1 218 ? 11.051 -3.315 -37.257 1.00 30.19 ? 249 ARG A N 1 ATOM 1663 C CA . ARG A 1 218 ? 10.259 -3.751 -38.384 1.00 33.45 ? 249 ARG A CA 1 ATOM 1664 C C . ARG A 1 218 ? 9.950 -2.705 -39.462 1.00 36.85 ? 249 ARG A C 1 ATOM 1665 O O . ARG A 1 218 ? 9.939 -1.488 -39.214 1.00 35.09 ? 249 ARG A O 1 ATOM 1666 C CB . ARG A 1 218 ? 8.975 -4.423 -37.868 1.00 34.48 ? 249 ARG A CB 1 ATOM 1667 C CG . ARG A 1 218 ? 8.876 -5.933 -38.125 1.00 35.24 ? 249 ARG A CG 1 ATOM 1668 C CD . ARG A 1 218 ? 7.708 -6.293 -39.067 1.00 35.75 ? 249 ARG A CD 1 ATOM 1669 N NE . ARG A 1 218 ? 8.059 -6.258 -40.490 1.00 35.69 ? 249 ARG A NE 1 ATOM 1670 C CZ . ARG A 1 218 ? 7.186 -6.337 -41.492 1.00 35.50 ? 249 ARG A CZ 1 ATOM 1671 N NH1 . ARG A 1 218 ? 5.885 -6.454 -41.254 1.00 36.21 ? 249 ARG A NH1 1 ATOM 1672 N NH2 . ARG A 1 218 ? 7.622 -6.301 -42.742 1.00 34.77 ? 249 ARG A NH2 1 ATOM 1673 N N . TYR A 1 219 ? 9.714 -3.254 -40.665 1.00 41.75 ? 250 TYR A N 1 ATOM 1674 C CA . TYR A 1 219 ? 9.318 -2.544 -41.887 1.00 42.90 ? 250 TYR A CA 1 ATOM 1675 C C . TYR A 1 219 ? 10.540 -2.331 -42.775 1.00 42.45 ? 250 TYR A C 1 ATOM 1676 O O . TYR A 1 219 ? 11.304 -3.288 -43.005 1.00 38.76 ? 250 TYR A O 1 ATOM 1677 C CB . TYR A 1 219 ? 8.451 -1.288 -41.580 1.00 45.15 ? 250 TYR A CB 1 ATOM 1678 C CG . TYR A 1 219 ? 7.050 -1.744 -41.162 1.00 47.32 ? 250 TYR A CG 1 ATOM 1679 C CD1 . TYR A 1 219 ? 6.195 -2.340 -42.105 1.00 50.90 ? 250 TYR A CD1 1 ATOM 1680 C CD2 . TYR A 1 219 ? 6.611 -1.678 -39.836 1.00 46.28 ? 250 TYR A CD2 1 ATOM 1681 C CE1 . TYR A 1 219 ? 4.934 -2.822 -41.754 1.00 51.86 ? 250 TYR A CE1 1 ATOM 1682 C CE2 . TYR A 1 219 ? 5.344 -2.149 -39.481 1.00 49.02 ? 250 TYR A CE2 1 ATOM 1683 C CZ . TYR A 1 219 ? 4.510 -2.718 -40.439 1.00 52.90 ? 250 TYR A CZ 1 ATOM 1684 O OH . TYR A 1 219 ? 3.254 -3.187 -40.087 1.00 56.34 ? 250 TYR A OH 1 HETATM 1685 C C1 . NAG B 2 . ? 20.284 -16.394 10.516 1.00 40.72 ? 301 NAG A C1 1 HETATM 1686 C C2 . NAG B 2 . ? 19.185 -15.495 9.962 1.00 44.35 ? 301 NAG A C2 1 HETATM 1687 C C3 . NAG B 2 . ? 19.777 -14.321 9.192 1.00 48.00 ? 301 NAG A C3 1 HETATM 1688 C C4 . NAG B 2 . ? 20.884 -13.646 9.994 1.00 52.59 ? 301 NAG A C4 1 HETATM 1689 C C5 . NAG B 2 . ? 21.864 -14.675 10.546 1.00 52.38 ? 301 NAG A C5 1 HETATM 1690 C C6 . NAG B 2 . ? 22.924 -14.008 11.414 1.00 54.53 ? 301 NAG A C6 1 HETATM 1691 C C7 . NAG B 2 . ? 17.139 -16.728 9.536 1.00 39.36 ? 301 NAG A C7 1 HETATM 1692 C C8 . NAG B 2 . ? 16.297 -17.464 8.536 1.00 37.87 ? 301 NAG A C8 1 HETATM 1693 N N2 . NAG B 2 . ? 18.305 -16.260 9.100 1.00 41.66 ? 301 NAG A N2 1 HETATM 1694 O O3 . NAG B 2 . ? 18.763 -13.383 8.910 1.00 47.46 ? 301 NAG A O3 1 HETATM 1695 O O4 . NAG B 2 . ? 21.574 -12.735 9.168 1.00 58.04 ? 301 NAG A O4 1 HETATM 1696 O O5 . NAG B 2 . ? 21.161 -15.629 11.311 1.00 46.89 ? 301 NAG A O5 1 HETATM 1697 O O6 . NAG B 2 . ? 22.314 -13.048 12.247 1.00 55.51 ? 301 NAG A O6 1 HETATM 1698 O O7 . NAG B 2 . ? 16.748 -16.579 10.693 1.00 37.06 ? 301 NAG A O7 1 HETATM 1699 C C1 . NAG C 2 . ? 21.037 -11.418 9.385 1.00 64.34 ? 302 NAG A C1 1 HETATM 1700 C C2 . NAG C 2 . ? 21.976 -10.372 8.768 1.00 67.45 ? 302 NAG A C2 1 HETATM 1701 C C3 . NAG C 2 . ? 21.339 -8.980 8.658 1.00 66.96 ? 302 NAG A C3 1 HETATM 1702 C C4 . NAG C 2 . ? 19.865 -9.017 8.292 1.00 67.77 ? 302 NAG A C4 1 HETATM 1703 C C5 . NAG C 2 . ? 19.214 -10.014 9.228 1.00 66.62 ? 302 NAG A C5 1 HETATM 1704 C C6 . NAG C 2 . ? 17.691 -9.999 9.208 1.00 65.95 ? 302 NAG A C6 1 HETATM 1705 C C7 . NAG C 2 . ? 24.422 -10.376 9.236 1.00 73.01 ? 302 NAG A C7 1 HETATM 1706 C C8 . NAG C 2 . ? 25.466 -10.219 10.320 1.00 71.35 ? 302 NAG A C8 1 HETATM 1707 N N2 . NAG C 2 . ? 23.153 -10.263 9.637 1.00 73.83 ? 302 NAG A N2 1 HETATM 1708 O O3 . NAG C 2 . ? 22.019 -8.206 7.697 1.00 68.08 ? 302 NAG A O3 1 HETATM 1709 O O4 . NAG C 2 . ? 19.295 -7.732 8.439 1.00 69.46 ? 302 NAG A O4 1 HETATM 1710 O O5 . NAG C 2 . ? 19.741 -11.270 8.839 1.00 65.11 ? 302 NAG A O5 1 HETATM 1711 O O6 . NAG C 2 . ? 17.255 -10.620 10.396 1.00 65.36 ? 302 NAG A O6 1 HETATM 1712 O O7 . NAG C 2 . ? 24.738 -10.587 8.066 1.00 73.16 ? 302 NAG A O7 1 HETATM 1713 C C1 . FUC D 3 . ? 22.271 -13.147 13.891 1.00 56.25 ? 303 FUC A C1 1 HETATM 1714 C C2 . FUC D 3 . ? 22.228 -11.627 13.997 1.00 58.86 ? 303 FUC A C2 1 HETATM 1715 C C3 . FUC D 3 . ? 20.887 -11.084 13.519 1.00 62.33 ? 303 FUC A C3 1 HETATM 1716 C C4 . FUC D 3 . ? 19.731 -11.855 14.145 1.00 59.83 ? 303 FUC A C4 1 HETATM 1717 C C5 . FUC D 3 . ? 19.950 -13.358 14.028 1.00 55.25 ? 303 FUC A C5 1 HETATM 1718 C C6 . FUC D 3 . ? 18.835 -14.128 14.725 1.00 53.03 ? 303 FUC A C6 1 HETATM 1719 O O2 . FUC D 3 . ? 23.265 -11.072 13.219 1.00 59.99 ? 303 FUC A O2 1 HETATM 1720 O O3 . FUC D 3 . ? 20.783 -9.720 13.862 1.00 64.61 ? 303 FUC A O3 1 HETATM 1721 O O4 . FUC D 3 . ? 19.613 -11.502 15.505 1.00 61.52 ? 303 FUC A O4 1 HETATM 1722 O O5 . FUC D 3 . ? 21.190 -13.699 14.607 1.00 55.23 ? 303 FUC A O5 1 HETATM 1723 S S . SO4 E 4 . ? 8.523 -16.892 -20.051 1.00 52.92 ? 304 SO4 A S 1 HETATM 1724 O O1 . SO4 E 4 . ? 9.381 -16.608 -21.222 1.00 50.70 ? 304 SO4 A O1 1 HETATM 1725 O O2 . SO4 E 4 . ? 7.110 -16.456 -20.282 1.00 48.36 ? 304 SO4 A O2 1 HETATM 1726 O O3 . SO4 E 4 . ? 8.623 -18.345 -19.797 1.00 53.48 ? 304 SO4 A O3 1 HETATM 1727 O O4 . SO4 E 4 . ? 9.045 -16.149 -18.880 1.00 55.17 ? 304 SO4 A O4 1 HETATM 1728 O O . HOH F 5 . ? 16.116 5.588 -37.415 1.00 2.00 ? 401 HOH A O 1 HETATM 1729 O O . HOH F 5 . ? 19.874 -21.869 -17.700 0.50 2.00 ? 402 HOH A O 1 HETATM 1730 O O . HOH F 5 . ? 6.663 3.857 -17.462 0.50 2.00 ? 403 HOH A O 1 HETATM 1731 O O . HOH F 5 . ? 24.666 -3.737 -27.263 1.00 8.90 ? 404 HOH A O 1 HETATM 1732 O O . HOH F 5 . ? 17.378 -21.571 20.947 1.00 12.90 ? 405 HOH A O 1 HETATM 1733 O O . HOH F 5 . ? 16.641 -28.532 26.129 1.00 12.52 ? 406 HOH A O 1 HETATM 1734 O O . HOH F 5 . ? 39.091 -26.256 31.928 1.00 26.09 ? 407 HOH A O 1 HETATM 1735 O O . HOH F 5 . ? 10.639 -30.171 -4.739 1.00 14.40 ? 408 HOH A O 1 HETATM 1736 O O . HOH F 5 . ? 10.194 -30.451 17.677 1.00 20.29 ? 409 HOH A O 1 HETATM 1737 O O . HOH F 5 . ? 33.053 -43.263 29.272 1.00 21.21 ? 410 HOH A O 1 HETATM 1738 O O . HOH F 5 . ? 2.809 -1.480 -34.313 1.00 27.78 ? 411 HOH A O 1 HETATM 1739 O O . HOH F 5 . ? 29.270 -18.234 -16.420 0.50 8.88 ? 412 HOH A O 1 # loop_ _atom_site_anisotrop.id _atom_site_anisotrop.type_symbol _atom_site_anisotrop.pdbx_label_atom_id _atom_site_anisotrop.pdbx_label_alt_id _atom_site_anisotrop.pdbx_label_comp_id _atom_site_anisotrop.pdbx_label_asym_id _atom_site_anisotrop.pdbx_label_seq_id _atom_site_anisotrop.pdbx_PDB_ins_code _atom_site_anisotrop.U[1][1] _atom_site_anisotrop.U[2][2] _atom_site_anisotrop.U[3][3] _atom_site_anisotrop.U[1][2] _atom_site_anisotrop.U[1][3] _atom_site_anisotrop.U[2][3] _atom_site_anisotrop.pdbx_auth_seq_id _atom_site_anisotrop.pdbx_auth_comp_id _atom_site_anisotrop.pdbx_auth_asym_id _atom_site_anisotrop.pdbx_auth_atom_id 1 N N . ASP A 2 ? 1.0230 0.8838 0.8177 -0.1773 -0.2439 -0.1502 33 ASP A N 2 C CA . ASP A 2 ? 1.0234 0.9511 0.8245 -0.1820 -0.2657 -0.1474 33 ASP A CA 3 C C . ASP A 2 ? 0.9773 0.9778 0.8601 -0.2214 -0.2705 -0.1085 33 ASP A C 4 O O . ASP A 2 ? 0.9304 0.9449 0.8641 -0.2377 -0.2468 -0.0790 33 ASP A O 5 C CB . ASP A 2 ? 0.9801 0.9608 0.7531 -0.1370 -0.2332 -0.1389 33 ASP A CB 6 C CG . ASP A 2 ? 1.0487 1.0132 0.7401 -0.1031 -0.2509 -0.1767 33 ASP A CG 7 O OD1 . ASP A 2 ? 1.0714 1.0843 0.7466 -0.0970 -0.2711 -0.1782 33 ASP A OD1 8 O OD2 . ASP A 2 ? 1.0777 0.9896 0.7189 -0.0776 -0.2442 -0.2042 33 ASP A OD2 9 N N . VAL A 3 ? 0.9930 1.0514 0.8851 -0.2310 -0.3003 -0.1084 34 VAL A N 10 C CA . VAL A 3 ? 0.9497 1.1034 0.9197 -0.2608 -0.3071 -0.0716 34 VAL A CA 11 C C . VAL A 3 ? 0.8786 1.1076 0.8607 -0.2188 -0.2724 -0.0464 34 VAL A C 12 O O . VAL A 3 ? 0.8269 1.1255 0.8688 -0.2198 -0.2528 -0.0124 34 VAL A O 13 C CB . VAL A 3 ? 1.0141 1.2026 0.9928 -0.2942 -0.3650 -0.0837 34 VAL A CB 14 C CG1 . VAL A 3 ? 0.9741 1.2755 1.0442 -0.3291 -0.3704 -0.0408 34 VAL A CG1 15 C CG2 . VAL A 3 ? 1.1156 1.2035 1.0589 -0.3305 -0.4152 -0.1209 34 VAL A CG2 16 N N . ARG A 4 ? 0.8867 1.1025 0.8079 -0.1799 -0.2681 -0.0622 35 ARG A N 17 C CA . ARG A 4 ? 0.8370 1.1067 0.7584 -0.1415 -0.2446 -0.0370 35 ARG A CA 18 C C . ARG A 4 ? 0.7704 1.0219 0.7050 -0.1188 -0.1972 -0.0152 35 ARG A C 19 O O . ARG A 4 ? 0.7419 1.0339 0.6965 -0.0940 -0.1822 0.0108 35 ARG A O 20 C CB . ARG A 4 ? 0.8798 1.1471 0.7313 -0.1126 -0.2573 -0.0524 35 ARG A CB 21 C CG . ARG A 4 ? 0.8995 1.2431 0.7652 -0.1120 -0.2896 -0.0432 35 ARG A CG 22 C CD . ARG A 4 ? 0.9542 1.3099 0.7517 -0.0872 -0.3109 -0.0578 35 ARG A CD 23 N NE . ARG A 4 ? 1.0293 1.3699 0.7984 -0.1105 -0.3598 -0.0999 35 ARG A NE 24 C CZ . ARG A 4 ? 1.0564 1.4492 0.8566 -0.1378 -0.4060 -0.1053 35 ARG A CZ 25 N NH1 . ARG A 4 ? 1.0160 1.4954 0.8815 -0.1418 -0.4065 -0.0695 35 ARG A NH1 26 N NH2 . ARG A 4 ? 1.1346 1.4935 0.8991 -0.1598 -0.4557 -0.1489 35 ARG A NH2 27 N N . VAL A 5 ? 0.7556 0.9440 0.6786 -0.1257 -0.1786 -0.0271 36 VAL A N 28 C CA . VAL A 5 ? 0.6979 0.8689 0.6342 -0.1080 -0.1387 -0.0100 36 VAL A CA 29 C C . VAL A 5 ? 0.6673 0.8463 0.6564 -0.1296 -0.1284 0.0012 36 VAL A C 30 O O . VAL A 5 ? 0.6940 0.8383 0.6856 -0.1591 -0.1407 -0.0111 36 VAL A O 31 C CB . VAL A 5 ? 0.7045 0.8140 0.5891 -0.0932 -0.1197 -0.0260 36 VAL A CB 32 C CG1 . VAL A 5 ? 0.6565 0.7474 0.5582 -0.0820 -0.0854 -0.0110 36 VAL A CG1 33 C CG2 . VAL A 5 ? 0.7334 0.8538 0.5678 -0.0697 -0.1224 -0.0259 36 VAL A CG2 34 N N . ARG A 6 ? 0.6244 0.8461 0.6496 -0.1110 -0.1074 0.0250 37 ARG A N 35 C CA . ARG A 6 ? 0.5915 0.8448 0.6661 -0.1225 -0.0926 0.0414 37 ARG A CA 36 C C . ARG A 6 ? 0.5591 0.7665 0.6209 -0.1026 -0.0598 0.0406 37 ARG A C 37 O O . ARG A 6 ? 0.5415 0.7442 0.5922 -0.0676 -0.0442 0.0448 37 ARG A O 38 C CB . ARG A 6 ? 0.5775 0.9289 0.6991 -0.1050 -0.0936 0.0652 37 ARG A CB 39 C CG . ARG A 6 ? 0.5482 0.9544 0.7129 -0.0943 -0.0698 0.0851 37 ARG A CG 40 C CD . ARG A 6 ? 0.5582 1.0081 0.7682 -0.1443 -0.0781 0.1013 37 ARG A CD 41 N NE . ARG A 6 ? 0.5788 1.1234 0.8342 -0.1684 -0.1055 0.1177 37 ARG A NE 42 C CZ . ARG A 6 ? 0.6235 1.1562 0.8844 -0.2193 -0.1422 0.1121 37 ARG A CZ 43 N NH1 . ARG A 6 ? 0.6620 1.0850 0.8798 -0.2463 -0.1566 0.0876 37 ARG A NH1 44 N NH2 . ARG A 6 ? 0.6363 1.2698 0.9450 -0.2411 -0.1685 0.1295 37 ARG A NH2 45 N N . VAL A 7 ? 0.5627 0.7325 0.6250 -0.1256 -0.0541 0.0358 38 VAL A N 46 C CA . VAL A 7 ? 0.5367 0.6714 0.5897 -0.1093 -0.0256 0.0354 38 VAL A CA 47 C C . VAL A 7 ? 0.5305 0.6830 0.6160 -0.1322 -0.0185 0.0516 38 VAL A C 48 O O . VAL A 7 ? 0.5529 0.7336 0.6677 -0.1687 -0.0375 0.0647 38 VAL A O 49 C CB . VAL A 7 ? 0.5432 0.6003 0.5462 -0.1039 -0.0213 0.0126 38 VAL A CB 50 C CG1 . VAL A 7 ? 0.5417 0.5914 0.5136 -0.0814 -0.0210 0.0073 38 VAL A CG1 51 C CG2 . VAL A 7 ? 0.5882 0.6033 0.5730 -0.1311 -0.0439 -0.0037 38 VAL A CG2 52 N N . LEU A 8 ? 0.5112 0.6501 0.5917 -0.1134 0.0065 0.0541 39 LEU A N 53 C CA . LEU A 8 ? 0.5145 0.6624 0.6155 -0.1337 0.0150 0.0724 39 LEU A CA 54 C C . LEU A 8 ? 0.5457 0.6032 0.6114 -0.1494 0.0072 0.0562 39 LEU A C 55 O O . LEU A 8 ? 0.5471 0.5538 0.5743 -0.1265 0.0141 0.0327 39 LEU A O 56 C CB . LEU A 8 ? 0.4822 0.6664 0.5897 -0.1002 0.0435 0.0817 39 LEU A CB 57 C CG . LEU A 8 ? 0.4640 0.7404 0.6004 -0.0706 0.0510 0.0944 39 LEU A CG 58 C CD1 . LEU A 8 ? 0.4504 0.7493 0.5787 -0.0291 0.0751 0.0939 39 LEU A CD1 59 C CD2 . LEU A 8 ? 0.4706 0.8408 0.6591 -0.1014 0.0414 0.1258 39 LEU A CD2 60 N N . PRO A 9 ? 0.5836 0.6218 0.6619 -0.1882 -0.0096 0.0705 40 PRO A N 61 C CA . PRO A 9 ? 0.6343 0.5745 0.6718 -0.1963 -0.0246 0.0507 40 PRO A CA 62 C C . PRO A 9 ? 0.6210 0.5311 0.6364 -0.1690 0.0005 0.0478 40 PRO A C 63 O O . PRO A 9 ? 0.6395 0.4851 0.6128 -0.1505 -0.0020 0.0216 40 PRO A O 64 C CB . PRO A 9 ? 0.6950 0.6185 0.7562 -0.2483 -0.0537 0.0742 40 PRO A CB 65 C CG . PRO A 9 ? 0.6634 0.6948 0.7841 -0.2658 -0.0395 0.1171 40 PRO A CG 66 C CD . PRO A 9 ? 0.5979 0.7052 0.7284 -0.2248 -0.0162 0.1092 40 PRO A CD 67 N N . GLU A 10 ? 0.5959 0.5635 0.6385 -0.1621 0.0242 0.0740 41 GLU A N 68 C CA . GLU A 10 ? 0.5787 0.5319 0.6015 -0.1325 0.0479 0.0709 41 GLU A CA 69 C C . GLU A 10 ? 0.5262 0.5518 0.5642 -0.1005 0.0730 0.0756 41 GLU A C 70 O O . GLU A 10 ? 0.5096 0.6095 0.5807 -0.1027 0.0768 0.0950 41 GLU A O 71 C CB . GLU A 10 ? 0.6179 0.5448 0.6423 -0.1536 0.0452 0.0977 41 GLU A CB 72 C CG . GLU A 10 ? 0.6032 0.5355 0.6117 -0.1227 0.0698 0.1012 41 GLU A CG 73 C CD . GLU A 10 ? 0.6264 0.5956 0.6547 -0.1398 0.0782 0.1459 41 GLU A CD 74 O OE1 . GLU A 10 ? 0.6975 0.6198 0.7276 -0.1764 0.0582 0.1694 41 GLU A OE1 75 O OE2 . GLU A 10 ? 0.5890 0.6319 0.6273 -0.1156 0.1027 0.1583 41 GLU A OE2 76 N N . VAL A 11 ? 0.5089 0.5123 0.5205 -0.0687 0.0863 0.0557 42 VAL A N 77 C CA . VAL A 11 ? 0.4857 0.5341 0.4999 -0.0349 0.1028 0.0533 42 VAL A CA 78 C C . VAL A 11 ? 0.4843 0.5163 0.4767 -0.0152 0.1155 0.0486 42 VAL A C 79 O O . VAL A 11 ? 0.4886 0.4682 0.4590 -0.0184 0.1120 0.0370 42 VAL A O 80 C CB . VAL A 11 ? 0.4743 0.5104 0.4783 -0.0170 0.0968 0.0313 42 VAL A CB 81 C CG1 . VAL A 11 ? 0.4695 0.5067 0.4584 0.0183 0.1043 0.0174 42 VAL A CG1 82 C CG2 . VAL A 11 ? 0.4691 0.5494 0.4981 -0.0227 0.0878 0.0414 42 VAL A CG2 83 N N . ARG A 12 ? 0.4809 0.5659 0.4772 0.0102 0.1291 0.0566 43 ARG A N 84 C CA . ARG A 12 ? 0.4882 0.5722 0.4626 0.0323 0.1399 0.0537 43 ARG A CA 85 C C . ARG A 12 ? 0.4848 0.5849 0.4421 0.0735 0.1420 0.0295 43 ARG A C 86 O O . ARG A 12 ? 0.4913 0.6409 0.4564 0.0971 0.1447 0.0299 43 ARG A O 87 C CB . ARG A 12 ? 0.5087 0.6472 0.4950 0.0264 0.1529 0.0910 43 ARG A CB 88 C CG . ARG A 12 ? 0.5354 0.6338 0.5269 -0.0131 0.1454 0.1168 43 ARG A CG 89 C CD . ARG A 12 ? 0.5638 0.6975 0.5536 -0.0148 0.1577 0.1552 43 ARG A CD 90 N NE . ARG A 12 ? 0.5782 0.7958 0.6042 -0.0378 0.1650 0.2016 43 ARG A NE 91 C CZ . ARG A 12 ? 0.5807 0.9021 0.6142 -0.0122 0.1865 0.2235 43 ARG A CZ 92 N NH1 . ARG A 12 ? 0.5739 0.9156 0.5750 0.0403 0.1991 0.1971 43 ARG A NH1 93 N NH2 . ARG A 12 ? 0.5948 1.0082 0.6677 -0.0384 0.1936 0.2726 43 ARG A NH2 94 N N . GLY A 13 ? 0.4812 0.5419 0.4135 0.0848 0.1379 0.0082 44 GLY A N 95 C CA . GLY A 13 ? 0.4947 0.5511 0.4054 0.1188 0.1306 -0.0191 44 GLY A CA 96 C C . GLY A 13 ? 0.5013 0.5533 0.3888 0.1323 0.1321 -0.0279 44 GLY A C 97 O O . GLY A 13 ? 0.4923 0.5200 0.3790 0.1135 0.1326 -0.0231 44 GLY A O 98 N N . ARG A 14 ? 0.5252 0.6046 0.3904 0.1708 0.1312 -0.0424 45 ARG A N 99 C CA . ARG A 14 ? 0.5443 0.6241 0.3824 0.1893 0.1278 -0.0559 45 ARG A CA 100 C C . ARG A 14 ? 0.5388 0.5613 0.3723 0.1725 0.1060 -0.0809 45 ARG A C 101 O O . ARG A 14 ? 0.5430 0.5259 0.3801 0.1640 0.0880 -0.0973 45 ARG A O 102 C CB . ARG A 14 ? 0.5934 0.7124 0.4000 0.2410 0.1256 -0.0751 45 ARG A CB 103 C CG . ARG A 14 ? 0.6271 0.7238 0.4255 0.2649 0.1082 -0.1023 45 ARG A CG 104 C CD . ARG A 14 ? 0.6911 0.8177 0.4479 0.3277 0.1007 -0.1309 45 ARG A CD 105 N NE . ARG A 14 ? 0.7414 0.8182 0.4886 0.3482 0.0763 -0.1590 45 ARG A NE 106 C CZ . ARG A 14 ? 0.7416 0.8549 0.5023 0.3685 0.0850 -0.1490 45 ARG A CZ 107 N NH1 . ARG A 14 ? 0.7029 0.9164 0.4918 0.3685 0.1180 -0.1102 45 ARG A NH1 108 N NH2 . ARG A 14 ? 0.7860 0.8361 0.5317 0.3891 0.0570 -0.1761 45 ARG A NH2 109 N N . LEU A 15 ? 0.5321 0.5563 0.3593 0.1670 0.1068 -0.0788 46 LEU A N 110 C CA . LEU A 15 ? 0.5338 0.5298 0.3613 0.1515 0.0870 -0.0980 46 LEU A CA 111 C C . LEU A 15 ? 0.5761 0.5486 0.3841 0.1671 0.0597 -0.1304 46 LEU A C 112 O O . LEU A 15 ? 0.6047 0.5956 0.3838 0.2038 0.0561 -0.1457 46 LEU A O 113 C CB . LEU A 15 ? 0.5308 0.5501 0.3500 0.1573 0.0915 -0.0923 46 LEU A CB 114 C CG . LEU A 15 ? 0.5348 0.5524 0.3573 0.1455 0.0706 -0.1100 46 LEU A CG 115 C CD1 . LEU A 15 ? 0.5184 0.5184 0.3687 0.1094 0.0649 -0.1061 46 LEU A CD1 116 C CD2 . LEU A 15 ? 0.5306 0.5807 0.3446 0.1600 0.0782 -0.1003 46 LEU A CD2 117 N N . GLY A 16 ? 0.5893 0.5184 0.4096 0.1400 0.0381 -0.1396 47 GLY A N 118 C CA . GLY A 16 ? 0.6521 0.5326 0.4524 0.1484 0.0028 -0.1694 47 GLY A CA 119 C C . GLY A 16 ? 0.6810 0.5318 0.4693 0.1724 -0.0018 -0.1768 47 GLY A C 120 O O . GLY A 16 ? 0.7384 0.5315 0.5035 0.1852 -0.0358 -0.2035 47 GLY A O 121 N N . GLY A 17 ? 0.6428 0.5306 0.4464 0.1786 0.0282 -0.1533 48 GLY A N 122 C CA . GLY A 17 ? 0.6663 0.5527 0.4622 0.2093 0.0286 -0.1570 48 GLY A CA 123 C C . GLY A 17 ? 0.6504 0.5056 0.4709 0.1784 0.0254 -0.1402 48 GLY A C 124 O O . GLY A 17 ? 0.6391 0.4639 0.4748 0.1365 0.0165 -0.1313 48 GLY A O 125 N N . THR A 18 ? 0.6571 0.5327 0.4819 0.2008 0.0336 -0.1332 49 THR A N 126 C CA . THR A 18 ? 0.6504 0.4977 0.4935 0.1779 0.0272 -0.1182 49 THR A CA 127 C C . THR A 18 ? 0.6012 0.5126 0.4740 0.1704 0.0541 -0.0904 49 THR A C 128 O O . THR A 18 ? 0.5902 0.5678 0.4680 0.1947 0.0730 -0.0834 49 THR A O 129 C CB . THR A 18 ? 0.7176 0.5058 0.5346 0.2117 -0.0040 -0.1392 49 THR A CB 130 O OG1 . THR A 18 ? 0.7353 0.5749 0.5387 0.2699 0.0053 -0.1503 49 THR A OG1 131 C CG2 . THR A 18 ? 0.7826 0.4932 0.5694 0.2119 -0.0398 -0.1669 49 THR A CG2 132 N N . VAL A 19 ? 0.5781 0.4743 0.4704 0.1343 0.0535 -0.0728 50 VAL A N 133 C CA . VAL A 19 ? 0.5437 0.4895 0.4625 0.1224 0.0693 -0.0501 50 VAL A CA 134 C C . VAL A 19 ? 0.5486 0.4718 0.4729 0.1134 0.0555 -0.0424 50 VAL A C 135 O O . VAL A 19 ? 0.5632 0.4301 0.4755 0.0984 0.0386 -0.0447 50 VAL A O 136 C CB . VAL A 19 ? 0.5021 0.4646 0.4367 0.0848 0.0852 -0.0342 50 VAL A CB 137 C CG1 . VAL A 19 ? 0.4896 0.4964 0.4273 0.0936 0.1030 -0.0268 50 VAL A CG1 138 C CG2 . VAL A 19 ? 0.4970 0.4154 0.4219 0.0601 0.0783 -0.0401 50 VAL A CG2 139 N N . GLU A 20 ? 0.5403 0.5167 0.4851 0.1196 0.0624 -0.0286 51 GLU A N 140 C CA . GLU A 20 ? 0.5461 0.5174 0.4990 0.1097 0.0510 -0.0175 51 GLU A CA 141 C C . GLU A 20 ? 0.5074 0.5101 0.4818 0.0705 0.0604 -0.0015 51 GLU A C 142 O O . GLU A 20 ? 0.4883 0.5428 0.4839 0.0623 0.0728 0.0085 51 GLU A O 143 C CB . GLU A 20 ? 0.5705 0.5846 0.5302 0.1511 0.0453 -0.0161 51 GLU A CB 144 C CG . GLU A 20 ? 0.6357 0.6114 0.5649 0.2032 0.0301 -0.0385 51 GLU A CG 145 C CD . GLU A 20 ? 0.6837 0.6931 0.6132 0.2528 0.0192 -0.0388 51 GLU A CD 146 O OE1 . GLU A 20 ? 0.6713 0.7176 0.6242 0.2378 0.0183 -0.0192 51 GLU A OE1 147 O OE2 . GLU A 20 ? 0.7399 0.7403 0.6430 0.3118 0.0090 -0.0609 51 GLU A OE2 148 N N . LEU A 21 ? 0.5047 0.4740 0.4705 0.0464 0.0513 0.0021 52 LEU A N 149 C CA . LEU A 21 ? 0.4859 0.4736 0.4609 0.0169 0.0521 0.0098 52 LEU A CA 150 C C . LEU A 21 ? 0.5030 0.5130 0.4849 0.0220 0.0380 0.0194 52 LEU A C 151 O O . LEU A 21 ? 0.5256 0.5039 0.4890 0.0248 0.0266 0.0228 52 LEU A O 152 C CB . LEU A 21 ? 0.4873 0.4373 0.4411 -0.0040 0.0526 0.0051 52 LEU A CB 153 C CG . LEU A 21 ? 0.4751 0.4154 0.4247 -0.0104 0.0653 -0.0034 52 LEU A CG 154 C CD1 . LEU A 21 ? 0.4767 0.4062 0.4238 0.0083 0.0697 -0.0098 52 LEU A CD1 155 C CD2 . LEU A 21 ? 0.4747 0.3988 0.4047 -0.0244 0.0662 -0.0082 52 LEU A CD2 156 N N . PRO A 22 ? 0.4933 0.5642 0.5037 0.0219 0.0374 0.0281 53 PRO A N 157 C CA . PRO A 22 ? 0.5052 0.6106 0.5256 0.0301 0.0223 0.0373 53 PRO A CA 158 C C . PRO A 22 ? 0.5108 0.6018 0.5188 0.0011 0.0099 0.0375 53 PRO A C 159 O O . PRO A 22 ? 0.5037 0.5743 0.5038 -0.0253 0.0129 0.0297 53 PRO A O 160 C CB . PRO A 22 ? 0.4917 0.6836 0.5537 0.0293 0.0263 0.0496 53 PRO A CB 161 C CG . PRO A 22 ? 0.4762 0.6739 0.5437 0.0311 0.0453 0.0489 53 PRO A CG 162 C CD . PRO A 22 ? 0.4746 0.5939 0.5121 0.0120 0.0490 0.0354 53 PRO A CD 163 N N . CYS A 23 ? 0.5334 0.6346 0.5345 0.0117 -0.0057 0.0450 54 CYS A N 164 C CA . CYS A 23 ? 0.5479 0.6471 0.5313 -0.0091 -0.0197 0.0445 54 CYS A CA 165 C C . CYS A 23 ? 0.5673 0.6938 0.5483 0.0093 -0.0376 0.0574 54 CYS A C 166 O O . CYS A 23 ? 0.5852 0.6823 0.5503 0.0355 -0.0403 0.0673 54 CYS A O 167 C CB . CYS A 23 ? 0.5626 0.6081 0.5075 -0.0176 -0.0138 0.0398 54 CYS A CB 168 S SG . CYS A 23 ? 0.5844 0.6399 0.4986 -0.0346 -0.0284 0.0329 54 CYS A SG 169 N N . HIS A 24 ? 0.5714 0.7473 0.5657 -0.0056 -0.0542 0.0574 55 HIS A N 170 C CA . HIS A 24 ? 0.5959 0.8114 0.5904 0.0127 -0.0740 0.0701 55 HIS A CA 171 C C . HIS A 24 ? 0.6142 0.8583 0.6001 -0.0120 -0.0960 0.0633 55 HIS A C 172 O O . HIS A 24 ? 0.6080 0.8552 0.6035 -0.0443 -0.1012 0.0483 55 HIS A O 173 C CB . HIS A 24 ? 0.5856 0.8695 0.6235 0.0390 -0.0754 0.0802 55 HIS A CB 174 C CG . HIS A 24 ? 0.6228 0.9373 0.6560 0.0753 -0.0940 0.0946 55 HIS A CG 175 N ND1 . HIS A 24 ? 0.6469 0.9435 0.6726 0.1238 -0.0931 0.1017 55 HIS A ND1 176 C CD2 . HIS A 24 ? 0.6503 1.0079 0.6796 0.0726 -0.1182 0.1019 55 HIS A CD2 177 C CE1 . HIS A 24 ? 0.6857 1.0095 0.7037 0.1526 -0.1149 0.1157 55 HIS A CE1 178 N NE2 . HIS A 24 ? 0.6812 1.0480 0.7030 0.1200 -0.1288 0.1169 55 HIS A NE2 179 N N . LEU A 25 ? 0.6470 0.9057 0.6100 0.0049 -0.1129 0.0741 56 LEU A N 180 C CA . LEU A 25 ? 0.6775 0.9663 0.6228 -0.0114 -0.1384 0.0653 56 LEU A CA 181 C C . LEU A 25 ? 0.6873 1.0620 0.6769 -0.0123 -0.1622 0.0716 56 LEU A C 182 O O . LEU A 25 ? 0.7011 1.1155 0.6917 0.0179 -0.1743 0.0893 56 LEU A O 183 C CB . LEU A 25 ? 0.7172 0.9859 0.6087 0.0068 -0.1439 0.0775 56 LEU A CB 184 C CG . LEU A 25 ? 0.7488 1.0143 0.5923 -0.0079 -0.1564 0.0585 56 LEU A CG 185 C CD1 . LEU A 25 ? 0.7416 0.9753 0.5839 -0.0346 -0.1516 0.0263 56 LEU A CD1 186 C CD2 . LEU A 25 ? 0.7735 1.0147 0.5635 0.0084 -0.1453 0.0787 56 LEU A CD2 187 N N . LEU A 26 ? 0.6860 1.0903 0.7136 -0.0487 -0.1705 0.0602 57 LEU A N 188 C CA . LEU A 26 ? 0.6903 1.1925 0.7768 -0.0625 -0.1911 0.0711 57 LEU A CA 189 C C . LEU A 26 ? 0.7288 1.2970 0.8133 -0.0458 -0.2209 0.0789 57 LEU A C 190 O O . LEU A 26 ? 0.7257 1.3698 0.8458 -0.0152 -0.2214 0.0997 57 LEU A O 191 C CB . LEU A 26 ? 0.7041 1.2078 0.8158 -0.1204 -0.2095 0.0577 57 LEU A CB 192 C CG . LEU A 26 ? 0.6749 1.2232 0.8499 -0.1468 -0.1967 0.0750 57 LEU A CG 193 C CD1 . LEU A 26 ? 0.6904 1.3427 0.9271 -0.1880 -0.2305 0.0901 57 LEU A CD1 194 C CD2 . LEU A 26 ? 0.6315 1.2091 0.8246 -0.0999 -0.1601 0.0940 57 LEU A CD2 195 N N . PRO A 27 ? 0.7711 1.3172 0.8120 -0.0616 -0.2477 0.0604 58 PRO A N 196 C CA . PRO A 27 ? 0.8071 1.4195 0.8420 -0.0530 -0.2830 0.0635 58 PRO A CA 197 C C . PRO A 27 ? 0.8174 1.4296 0.8215 0.0024 -0.2729 0.0868 58 PRO A C 198 O O . PRO A 27 ? 0.8458 1.3940 0.7862 0.0175 -0.2653 0.0858 58 PRO A O 199 C CB . PRO A 27 ? 0.8572 1.4183 0.8341 -0.0780 -0.3081 0.0303 58 PRO A CB 200 C CG . PRO A 27 ? 0.8417 1.3078 0.7833 -0.0799 -0.2775 0.0168 58 PRO A CG 201 C CD . PRO A 27 ? 0.7898 1.2563 0.7884 -0.0915 -0.2514 0.0303 58 PRO A CD 202 N N . PRO A 28 ? 0.8021 1.4858 0.8496 0.0350 -0.2729 0.1105 59 PRO A N 203 C CA . PRO A 28 ? 0.8258 1.4910 0.8416 0.0921 -0.2679 0.1342 59 PRO A CA 204 C C . PRO A 28 ? 0.8793 1.5692 0.8517 0.1052 -0.2988 0.1409 59 PRO A C 205 O O . PRO A 28 ? 0.8932 1.6627 0.8847 0.1349 -0.3215 0.1566 59 PRO A O 206 C CB . PRO A 28 ? 0.8084 1.5550 0.8835 0.1275 -0.2648 0.1503 59 PRO A CB 207 C CG . PRO A 28 ? 0.7879 1.6438 0.9273 0.0844 -0.2832 0.1435 59 PRO A CG 208 C CD . PRO A 28 ? 0.7733 1.5633 0.9000 0.0228 -0.2796 0.1190 59 PRO A CD 209 N N . THR A 29 ? 0.9089 1.5377 0.8213 0.0861 -0.2986 0.1283 60 THR A N 210 C CA . THR A 29 ? 0.9673 1.6117 0.8226 0.0980 -0.3233 0.1330 60 THR A CA 211 C C . THR A 29 ? 1.0071 1.6137 0.8191 0.1445 -0.3151 0.1736 60 THR A C 212 O O . THR A 29 ? 0.9922 1.5609 0.8224 0.1709 -0.2982 0.1943 60 THR A O 213 C CB . THR A 29 ? 0.9867 1.5847 0.7873 0.0675 -0.3226 0.1029 60 THR A CB 214 O OG1 . THR A 29 ? 0.9506 1.4680 0.7445 0.0560 -0.2852 0.0989 60 THR A OG1 215 C CG2 . THR A 29 ? 0.9902 1.6281 0.8130 0.0272 -0.3554 0.0631 60 THR A CG2 216 N N . THR A 30 ? 1.0669 1.6826 0.8181 0.1549 -0.3313 0.1851 61 THR A N 217 C CA . THR A 30 ? 1.1218 1.6983 0.8221 0.1900 -0.3281 0.2311 61 THR A CA 218 C C . THR A 30 ? 1.1405 1.6544 0.7805 0.1736 -0.3039 0.2431 61 THR A C 219 O O . THR A 30 ? 1.1923 1.6752 0.7879 0.1918 -0.3015 0.2886 61 THR A O 220 C CB . THR A 30 ? 1.1820 1.8325 0.8535 0.2180 -0.3645 0.2477 61 THR A CB 221 O OG1 . THR A 30 ? 1.2438 1.8576 0.8874 0.2603 -0.3674 0.2995 61 THR A OG1 222 C CG2 . THR A 30 ? 1.2147 1.8907 0.8216 0.2018 -0.3748 0.2326 61 THR A CG2 223 N N . GLU A 31 ? 1.1064 1.6064 0.7455 0.1397 -0.2875 0.2061 62 GLU A N 224 C CA . GLU A 31 ? 1.1270 1.5962 0.7098 0.1277 -0.2646 0.2124 62 GLU A CA 225 C C . GLU A 31 ? 1.0984 1.4925 0.6951 0.1168 -0.2315 0.2345 62 GLU A C 226 O O . GLU A 31 ? 1.0468 1.4069 0.6924 0.1035 -0.2185 0.2123 62 GLU A O 227 C CB . GLU A 31 ? 1.1172 1.6037 0.6836 0.1058 -0.2660 0.1580 62 GLU A CB 228 C CG . GLU A 31 ? 1.0737 1.5626 0.7008 0.0824 -0.2789 0.1134 62 GLU A CG 229 C CD . GLU A 31 ? 1.1024 1.6173 0.7054 0.0671 -0.3080 0.0615 62 GLU A CD 230 O OE1 . GLU A 31 ? 1.1124 1.5927 0.6792 0.0596 -0.2958 0.0327 62 GLU A OE1 231 O OE2 . GLU A 31 ? 1.1146 1.6829 0.7347 0.0638 -0.3463 0.0480 62 GLU A OE2 232 N N . ARG A 32 ? 1.1355 1.5105 0.6872 0.1194 -0.2197 0.2800 63 ARG A N 233 C CA . ARG A 32 ? 1.1265 1.4325 0.6855 0.1035 -0.1945 0.3103 63 ARG A CA 234 C C . ARG A 32 ? 1.0668 1.3583 0.6405 0.0766 -0.1663 0.2763 63 ARG A C 235 O O . ARG A 32 ? 1.0643 1.4001 0.6134 0.0720 -0.1609 0.2435 63 ARG A O 236 C CB . ARG A 32 ? 1.1977 1.5046 0.7044 0.1031 -0.1917 0.3736 63 ARG A CB 237 C CG . ARG A 32 ? 1.2621 1.6261 0.7263 0.1303 -0.2177 0.3964 63 ARG A CG 238 C CD . ARG A 32 ? 1.2878 1.6178 0.7753 0.1592 -0.2457 0.4142 63 ARG A CD 239 N NE . ARG A 32 ? 1.3241 1.5565 0.8187 0.1563 -0.2444 0.4618 63 ARG A NE 240 C CZ . ARG A 32 ? 1.3559 1.5304 0.8682 0.1870 -0.2673 0.4761 63 ARG A CZ 241 N NH1 . ARG A 32 ? 1.3484 1.5709 0.8806 0.2236 -0.2892 0.4508 63 ARG A NH1 242 N NH2 . ARG A 32 ? 1.4054 1.4742 0.9146 0.1827 -0.2715 0.5152 63 ARG A NH2 243 N N . VAL A 33 ? 1.0320 1.2576 0.6411 0.0640 -0.1517 0.2829 64 VAL A N 244 C CA . VAL A 33 ? 0.9828 1.1909 0.6063 0.0405 -0.1253 0.2596 64 VAL A CA 245 C C . VAL A 33 ? 1.0190 1.2295 0.6106 0.0232 -0.1081 0.3056 64 VAL A C 246 O O . VAL A 33 ? 1.0425 1.1980 0.6429 0.0106 -0.1083 0.3478 64 VAL A O 247 C CB . VAL A 33 ? 0.9322 1.0771 0.6075 0.0357 -0.1193 0.2439 64 VAL A CB 248 C CG1 . VAL A 33 ? 0.8766 1.0187 0.5672 0.0160 -0.0958 0.2090 64 VAL A CG1 249 C CG2 . VAL A 33 ? 0.9101 1.0662 0.6200 0.0565 -0.1377 0.2199 64 VAL A CG2 250 N N . SER A 34 ? 1.0322 1.3109 0.5846 0.0238 -0.0965 0.2983 65 SER A N 251 C CA . SER A 34 ? 1.0597 1.3726 0.5871 0.0069 -0.0740 0.3386 65 SER A CA 252 C C . SER A 34 ? 1.0304 1.2884 0.5995 -0.0225 -0.0575 0.3498 65 SER A C 253 O O . SER A 34 ? 1.0710 1.3098 0.6416 -0.0472 -0.0555 0.4079 65 SER A O 254 C CB . SER A 34 ? 1.0597 1.4541 0.5469 0.0225 -0.0602 0.3024 65 SER A CB 255 O OG . SER A 34 ? 1.0941 1.5503 0.5566 0.0124 -0.0358 0.3436 65 SER A OG 256 N N . GLN A 35 ? 0.9710 1.2016 0.5730 -0.0222 -0.0497 0.2962 66 GLN A N 257 C CA . GLN A 35 ? 0.9353 1.1145 0.5772 -0.0454 -0.0369 0.2959 66 GLN A CA 258 C C . GLN A 35 ? 0.8647 1.0149 0.5390 -0.0374 -0.0329 0.2351 66 GLN A C 259 O O . GLN A 35 ? 0.8467 1.0228 0.5115 -0.0208 -0.0371 0.1933 66 GLN A O 260 C CB . GLN A 35 ? 0.9451 1.1804 0.5770 -0.0659 -0.0121 0.3208 66 GLN A CB 261 C CG . GLN A 35 ? 0.9108 1.2089 0.5270 -0.0478 0.0075 0.2724 66 GLN A CG 262 C CD . GLN A 35 ? 0.9040 1.2595 0.5241 -0.0641 0.0330 0.2941 66 GLN A CD 263 O OE1 . GLN A 35 ? 0.8635 1.2219 0.4986 -0.0583 0.0465 0.2564 66 GLN A OE1 264 N NE2 . GLN A 35 ? 0.9503 1.3570 0.5591 -0.0858 0.0387 0.3596 66 GLN A NE2 265 N N . VAL A 36 ? 0.8319 0.9272 0.5416 -0.0512 -0.0279 0.2323 67 VAL A N 266 C CA . VAL A 36 ? 0.7724 0.8487 0.5104 -0.0466 -0.0196 0.1832 67 VAL A CA 267 C C . VAL A 36 ? 0.7474 0.8246 0.4972 -0.0638 0.0001 0.1824 67 VAL A C 268 O O . VAL A 36 ? 0.7745 0.8373 0.5300 -0.0851 0.0007 0.2197 67 VAL A O 269 C CB . VAL A 36 ? 0.7536 0.7727 0.5248 -0.0374 -0.0324 0.1718 67 VAL A CB 270 C CG1 . VAL A 36 ? 0.7023 0.7248 0.4974 -0.0322 -0.0247 0.1266 67 VAL A CG1 271 C CG2 . VAL A 36 ? 0.7834 0.8022 0.5477 -0.0186 -0.0547 0.1862 67 VAL A CG2 272 N N . THR A 37 ? 0.7066 0.7985 0.4603 -0.0559 0.0124 0.1415 68 THR A N 273 C CA . THR A 37 ? 0.6852 0.7878 0.4496 -0.0653 0.0310 0.1359 68 THR A CA 274 C C . THR A 37 ? 0.6435 0.7216 0.4232 -0.0541 0.0357 0.0904 68 THR A C 275 O O . THR A 37 ? 0.6372 0.7095 0.4090 -0.0411 0.0273 0.0612 68 THR A O 276 C CB . THR A 37 ? 0.7060 0.8887 0.4399 -0.0616 0.0471 0.1473 68 THR A CB 277 O OG1 . THR A 37 ? 0.7316 0.9465 0.4264 -0.0357 0.0419 0.1224 68 THR A OG1 278 C CG2 . THR A 37 ? 0.7423 0.9585 0.4726 -0.0856 0.0483 0.2066 68 THR A CG2 279 N N . TRP A 38 ? 0.6195 0.6829 0.4213 -0.0629 0.0462 0.0885 69 TRP A N 280 C CA . TRP A 38 ? 0.5845 0.6258 0.3993 -0.0536 0.0521 0.0543 69 TRP A CA 281 C C . TRP A 38 ? 0.5791 0.6614 0.3831 -0.0482 0.0679 0.0485 69 TRP A C 282 O O . TRP A 38 ? 0.5825 0.6951 0.3959 -0.0633 0.0755 0.0749 69 TRP A O 283 C CB . TRP A 38 ? 0.5662 0.5621 0.4125 -0.0613 0.0498 0.0562 69 TRP A CB 284 C CG . TRP A 38 ? 0.5636 0.5253 0.4243 -0.0546 0.0364 0.0535 69 TRP A CG 285 C CD1 . TRP A 38 ? 0.5871 0.5240 0.4510 -0.0542 0.0220 0.0747 69 TRP A CD1 286 C CD2 . TRP A 38 ? 0.5429 0.4967 0.4186 -0.0447 0.0353 0.0312 69 TRP A CD2 287 N NE1 . TRP A 38 ? 0.5768 0.5029 0.4557 -0.0377 0.0143 0.0634 69 TRP A NE1 288 C CE2 . TRP A 38 ? 0.5482 0.4911 0.4383 -0.0354 0.0230 0.0406 69 TRP A CE2 289 C CE3 . TRP A 38 ? 0.5327 0.4883 0.4109 -0.0431 0.0407 0.0091 69 TRP A CE3 290 C CZ2 . TRP A 38 ? 0.5363 0.4915 0.4481 -0.0266 0.0207 0.0305 69 TRP A CZ2 291 C CZ3 . TRP A 38 ? 0.5264 0.4808 0.4265 -0.0423 0.0356 0.0029 69 TRP A CZ3 292 C CH2 . TRP A 38 ? 0.5241 0.4887 0.4434 -0.0349 0.0277 0.0146 69 TRP A CH2 293 N N . GLN A 39 ? 0.5848 0.6691 0.3690 -0.0265 0.0700 0.0151 70 GLN A N 294 C CA . GLN A 39 ? 0.5899 0.7131 0.3601 -0.0087 0.0841 0.0030 70 GLN A CA 295 C C . GLN A 39 ? 0.5796 0.6555 0.3562 0.0035 0.0830 -0.0270 70 GLN A C 296 O O . GLN A 39 ? 0.5838 0.6074 0.3604 0.0032 0.0697 -0.0447 70 GLN A O 297 C CB . GLN A 39 ? 0.6297 0.7989 0.3528 0.0192 0.0839 -0.0115 70 GLN A CB 298 C CG . GLN A 39 ? 0.6439 0.8854 0.3487 0.0451 0.1014 -0.0151 70 GLN A CG 299 C CD . GLN A 39 ? 0.6885 1.0024 0.3470 0.0704 0.1044 -0.0140 70 GLN A CD 300 O OE1 . GLN A 39 ? 0.7151 1.0016 0.3432 0.0793 0.0877 -0.0309 70 GLN A OE1 301 N NE2 . GLN A 39 ? 0.6979 1.1150 0.3511 0.0819 0.1250 0.0079 70 GLN A NE2 302 N N . ARG A 40 ? 0.5751 0.6753 0.3593 0.0120 0.0956 -0.0283 71 ARG A N 303 C CA . ARG A 40 ? 0.5827 0.6441 0.3615 0.0321 0.0945 -0.0557 71 ARG A CA 304 C C . ARG A 40 ? 0.6330 0.6965 0.3644 0.0676 0.0881 -0.0849 71 ARG A C 305 O O . ARG A 40 ? 0.6630 0.7800 0.3700 0.0789 0.0909 -0.0818 71 ARG A O 306 C CB . ARG A 40 ? 0.5690 0.6668 0.3657 0.0367 0.1080 -0.0488 71 ARG A CB 307 C CG . ARG A 40 ? 0.5829 0.6376 0.3721 0.0598 0.1058 -0.0724 71 ARG A CG 308 C CD . ARG A 40 ? 0.5733 0.6759 0.3800 0.0666 0.1174 -0.0652 71 ARG A CD 309 N NE . ARG A 40 ? 0.5424 0.6452 0.3877 0.0336 0.1180 -0.0442 71 ARG A NE 310 C CZ . ARG A 40 ? 0.5428 0.6982 0.4097 0.0277 0.1233 -0.0328 71 ARG A CZ 311 N NH1 . ARG A 40 ? 0.5558 0.7827 0.4157 0.0530 0.1325 -0.0361 71 ARG A NH1 312 N NH2 . ARG A 40 ? 0.5356 0.6768 0.4302 -0.0011 0.1165 -0.0197 71 ARG A NH2 313 N N . LEU A 41 ? 0.6638 0.6682 0.3772 0.0880 0.0772 -0.1129 72 LEU A N 314 C CA . LEU A 41 ? 0.7396 0.7225 0.3975 0.1279 0.0620 -0.1491 72 LEU A CA 315 C C . LEU A 41 ? 0.7572 0.8157 0.3861 0.1755 0.0774 -0.1595 72 LEU A C 316 O O . LEU A 41 ? 0.8145 0.8900 0.3910 0.2164 0.0694 -0.1867 72 LEU A O 317 C CB . LEU A 41 ? 0.7878 0.6649 0.4330 0.1303 0.0375 -0.1724 72 LEU A CB 318 C CG . LEU A 41 ? 0.8645 0.6783 0.4665 0.1370 0.0040 -0.2031 72 LEU A CG 319 C CD1 . LEU A 41 ? 0.8397 0.6855 0.4567 0.1059 0.0003 -0.1882 72 LEU A CD1 320 C CD2 . LEU A 41 ? 0.9066 0.6123 0.5093 0.1201 -0.0240 -0.2123 72 LEU A CD2 321 N N . ASP A 42 ? 0.7092 0.8219 0.3718 0.1717 0.0979 -0.1384 73 ASP A N 322 C CA . ASP A 42 ? 0.7138 0.9345 0.3656 0.2081 0.1168 -0.1358 73 ASP A CA 323 C C . ASP A 42 ? 0.6997 1.0270 0.3516 0.1984 0.1314 -0.1088 73 ASP A C 324 O O . ASP A 42 ? 0.6989 1.1374 0.3432 0.2264 0.1487 -0.1005 73 ASP A O 325 C CB . ASP A 42 ? 0.6693 0.9285 0.3666 0.1951 0.1309 -0.1146 73 ASP A CB 326 C CG . ASP A 42 ? 0.6044 0.8857 0.3578 0.1328 0.1378 -0.0728 73 ASP A CG 327 O OD1 . ASP A 42 ? 0.5974 0.8960 0.3561 0.1047 0.1380 -0.0519 73 ASP A OD1 328 O OD2 . ASP A 42 ? 0.5682 0.8448 0.3560 0.1151 0.1398 -0.0621 73 ASP A OD2 329 N N . GLY A 43 ? 0.6832 0.9841 0.3472 0.1574 0.1249 -0.0895 74 GLY A N 330 C CA . GLY A 43 ? 0.6871 1.0736 0.3455 0.1454 0.1346 -0.0591 74 GLY A CA 331 C C . GLY A 43 ? 0.6392 1.0745 0.3520 0.0912 0.1461 -0.0044 74 GLY A C 332 O O . GLY A 43 ? 0.6435 1.1578 0.3563 0.0757 0.1549 0.0323 74 GLY A O 333 N N . THR A 44 ? 0.6044 0.9909 0.3603 0.0622 0.1431 0.0028 75 THR A N 334 C CA . THR A 44 ? 0.5855 0.9947 0.3875 0.0101 0.1445 0.0490 75 THR A CA 335 C C . THR A 44 ? 0.5801 0.9124 0.3886 -0.0213 0.1290 0.0621 75 THR A C 336 O O . THR A 44 ? 0.5555 0.7992 0.3683 -0.0212 0.1173 0.0394 75 THR A O 337 C CB . THR A 44 ? 0.5665 0.9605 0.4076 -0.0056 0.1435 0.0494 75 THR A CB 338 O OG1 . THR A 44 ? 0.5638 0.9904 0.4440 -0.0564 0.1395 0.0946 75 THR A OG1 339 C CG2 . THR A 44 ? 0.5573 0.8347 0.4024 -0.0055 0.1302 0.0215 75 THR A CG2 340 N N . VAL A 45 ? 0.6096 0.9861 0.4182 -0.0458 0.1292 0.1028 76 VAL A N 341 C CA . VAL A 45 ? 0.6198 0.9310 0.4342 -0.0739 0.1125 0.1235 76 VAL A CA 342 C C . VAL A 45 ? 0.6102 0.8677 0.4649 -0.1110 0.1001 0.1417 76 VAL A C 343 O O . VAL A 45 ? 0.6199 0.9226 0.4999 -0.1399 0.1015 0.1722 76 VAL A O 344 C CB . VAL A 45 ? 0.6567 1.0297 0.4531 -0.0870 0.1144 0.1669 76 VAL A CB 345 C CG1 . VAL A 45 ? 0.6769 0.9862 0.4919 -0.1265 0.0946 0.2050 76 VAL A CG1 346 C CG2 . VAL A 45 ? 0.6744 1.0624 0.4221 -0.0480 0.1150 0.1399 76 VAL A CG2 347 N N . VAL A 46 ? 0.6016 0.7673 0.4610 -0.1087 0.0856 0.1222 77 VAL A N 348 C CA . VAL A 46 ? 0.5971 0.6992 0.4834 -0.1260 0.0719 0.1204 77 VAL A CA 349 C C . VAL A 46 ? 0.6407 0.6886 0.5315 -0.1523 0.0494 0.1521 77 VAL A C 350 O O . VAL A 46 ? 0.6703 0.6916 0.5792 -0.1823 0.0332 0.1726 77 VAL A O 351 C CB . VAL A 46 ? 0.5662 0.6116 0.4514 -0.0989 0.0712 0.0791 77 VAL A CB 352 C CG1 . VAL A 46 ? 0.5847 0.5567 0.4810 -0.1044 0.0524 0.0793 77 VAL A CG1 353 C CG2 . VAL A 46 ? 0.5382 0.6034 0.4301 -0.0848 0.0831 0.0551 77 VAL A CG2 354 N N . ALA A 47 ? 0.6557 0.6835 0.5275 -0.1396 0.0441 0.1551 78 ALA A N 355 C CA . ALA A 47 ? 0.7025 0.6720 0.5704 -0.1523 0.0207 0.1827 78 ALA A CA 356 C C . ALA A 47 ? 0.7119 0.7138 0.5543 -0.1416 0.0230 0.1983 78 ALA A C 357 O O . ALA A 47 ? 0.6761 0.7204 0.5041 -0.1180 0.0371 0.1723 78 ALA A O 358 C CB . ALA A 47 ? 0.6997 0.5897 0.5734 -0.1309 0.0057 0.1537 78 ALA A CB 359 N N . ALA A 48 ? 0.7643 0.7412 0.5976 -0.1589 0.0051 0.2407 79 ALA A N 360 C CA . ALA A 48 ? 0.7886 0.7973 0.5942 -0.1471 0.0043 0.2590 79 ALA A CA 361 C C . ALA A 48 ? 0.8652 0.8156 0.6606 -0.1596 -0.0227 0.3036 79 ALA A C 362 O O . ALA A 48 ? 0.9230 0.8282 0.7283 -0.1924 -0.0392 0.3384 79 ALA A O 363 C CB . ALA A 48 ? 0.7825 0.8955 0.5716 -0.1538 0.0263 0.2782 79 ALA A CB 364 N N . PHE A 49 ? 0.8839 0.8305 0.6585 -0.1337 -0.0315 0.3025 80 PHE A N 365 C CA . PHE A 49 ? 0.9658 0.8686 0.7212 -0.1382 -0.0567 0.3495 80 PHE A CA 366 C C . PHE A 49 ? 0.9902 0.9823 0.7162 -0.1427 -0.0446 0.3836 80 PHE A C 367 O O . PHE A 49 ? 0.9577 1.0049 0.6674 -0.1143 -0.0345 0.3534 80 PHE A O 368 C CB . PHE A 49 ? 0.9737 0.8237 0.7255 -0.0978 -0.0761 0.3246 80 PHE A CB 369 C CG . PHE A 49 ? 1.0667 0.8641 0.7947 -0.0928 -0.1054 0.3703 80 PHE A CG 370 C CD1 . PHE A 49 ? 1.1351 0.8211 0.8636 -0.0856 -0.1366 0.3783 80 PHE A CD1 371 C CD2 . PHE A 49 ? 1.1034 0.9578 0.8021 -0.0906 -0.1051 0.4048 80 PHE A CD2 372 C CE1 . PHE A 49 ? 1.2329 0.8558 0.9340 -0.0768 -0.1685 0.4220 80 PHE A CE1 373 C CE2 . PHE A 49 ? 1.1942 0.9965 0.8677 -0.0846 -0.1340 0.4527 80 PHE A CE2 374 C CZ . PHE A 49 ? 1.2583 0.9401 0.9335 -0.0779 -0.1665 0.4623 80 PHE A CZ 375 N N . HIS A 50 ? 1.0604 1.0680 0.7781 -0.1795 -0.0485 0.4477 81 HIS A N 376 C CA . HIS A 50 ? 1.1013 1.2107 0.7870 -0.1837 -0.0343 0.4895 81 HIS A CA 377 C C . HIS A 50 ? 1.1722 1.2564 0.8252 -0.1720 -0.0568 0.5290 81 HIS A C 378 O O . HIS A 50 ? 1.2153 1.1929 0.8720 -0.1701 -0.0873 0.5412 81 HIS A O 379 C CB . HIS A 50 ? 1.1528 1.3116 0.8487 -0.2357 -0.0265 0.5554 81 HIS A CB 380 C CG . HIS A 50 ? 1.1007 1.3645 0.8118 -0.2395 0.0071 0.5339 81 HIS A CG 381 N ND1 . HIS A 50 ? 1.0556 1.4024 0.7440 -0.1971 0.0315 0.4857 81 HIS A ND1 382 C CD2 . HIS A 50 ? 1.1008 1.3983 0.8470 -0.2797 0.0161 0.5553 81 HIS A CD2 383 C CE1 . HIS A 50 ? 1.0293 1.4557 0.7346 -0.2031 0.0564 0.4756 81 HIS A CE1 384 N NE2 . HIS A 50 ? 1.0515 1.4566 0.7954 -0.2546 0.0485 0.5197 81 HIS A NE2 385 N N . PRO A 51 ? 1.1937 1.3773 0.8088 -0.1584 -0.0439 0.5491 82 PRO A N 386 C CA . PRO A 51 ? 1.2623 1.4262 0.8432 -0.1409 -0.0669 0.5835 82 PRO A CA 387 C C . PRO A 51 ? 1.3589 1.4170 0.9375 -0.1628 -0.1014 0.6477 82 PRO A C 388 O O . PRO A 51 ? 1.3757 1.3508 0.9490 -0.1321 -0.1293 0.6336 82 PRO A O 389 C CB . PRO A 51 ? 1.2903 1.5878 0.8284 -0.1393 -0.0462 0.6209 82 PRO A CB 390 C CG . PRO A 51 ? 1.2740 1.6417 0.8318 -0.1769 -0.0190 0.6464 82 PRO A CG 391 C CD . PRO A 51 ? 1.1981 1.5089 0.8007 -0.1789 -0.0142 0.5845 82 PRO A CD 392 N N . SER A 52 ? 1.4190 1.4809 1.0034 -0.2158 -0.1015 0.7171 83 SER A N 393 C CA . SER A 52 ? 1.5312 1.4950 1.1059 -0.2478 -0.1377 0.7936 83 SER A CA 394 C C . SER A 52 ? 1.5529 1.4462 1.1671 -0.3031 -0.1491 0.8115 83 SER A C 395 O O . SER A 52 ? 1.6450 1.4011 1.2597 -0.3241 -0.1906 0.8436 83 SER A O 396 C CB . SER A 52 ? 1.6067 1.6522 1.1440 -0.2704 -0.1343 0.8834 83 SER A CB 397 O OG . SER A 52 ? 1.6294 1.6851 1.1230 -0.2213 -0.1451 0.8822 83 SER A OG 398 N N . PHE A 53 ? 1.4836 1.4677 1.1281 -0.3244 -0.1164 0.7895 84 PHE A N 399 C CA . PHE A 53 ? 1.4995 1.4294 1.1863 -0.3754 -0.1275 0.7965 84 PHE A CA 400 C C . PHE A 53 ? 1.5000 1.2663 1.1988 -0.3522 -0.1615 0.7376 84 PHE A C 401 O O . PHE A 53 ? 1.5888 1.2300 1.2940 -0.3878 -0.2026 0.7682 84 PHE A O 402 C CB . PHE A 53 ? 1.4134 1.4849 1.1287 -0.3856 -0.0836 0.7706 84 PHE A CB 403 C CG . PHE A 53 ? 1.3946 1.4148 1.1547 -0.4134 -0.0910 0.7395 84 PHE A CG 404 C CD1 . PHE A 53 ? 1.3068 1.4334 1.0917 -0.4067 -0.0553 0.6991 84 PHE A CD1 405 C CD2 . PHE A 53 ? 1.4717 1.3320 1.2436 -0.4383 -0.1371 0.7443 84 PHE A CD2 406 C CE1 . PHE A 53 ? 1.2826 1.3671 1.1065 -0.4282 -0.0631 0.6687 84 PHE A CE1 407 C CE2 . PHE A 53 ? 1.4529 1.2666 1.2600 -0.4583 -0.1469 0.7090 84 PHE A CE2 408 C CZ . PHE A 53 ? 1.3525 1.2821 1.1874 -0.4548 -0.1089 0.6727 84 PHE A CZ 409 N N . GLY A 54 ? 1.4080 1.1747 1.1058 -0.2922 -0.1478 0.6568 85 GLY A N 410 C CA . GLY A 54 ? 1.3874 1.0381 1.1000 -0.2651 -0.1690 0.5950 85 GLY A CA 411 C C . GLY A 54 ? 1.2670 0.9713 1.0100 -0.2515 -0.1385 0.5257 85 GLY A C 412 O O . GLY A 54 ? 1.1905 1.0147 0.9376 -0.2464 -0.1012 0.5107 85 GLY A O 413 N N . VAL A 55 ? 1.2594 0.8706 1.0178 -0.2416 -0.1569 0.4835 86 VAL A N 414 C CA . VAL A 55 ? 1.1563 0.8053 0.9408 -0.2254 -0.1318 0.4193 86 VAL A CA 415 C C . VAL A 55 ? 1.1438 0.8358 0.9563 -0.2762 -0.1216 0.4342 86 VAL A C 416 O O . VAL A 55 ? 1.2317 0.8635 1.0514 -0.3234 -0.1512 0.4754 86 VAL A O 417 C CB . VAL A 55 ? 1.1600 0.7052 0.9456 -0.1873 -0.1545 0.3675 86 VAL A CB 418 C CG1 . VAL A 55 ? 1.2568 0.6806 1.0401 -0.2180 -0.1979 0.3865 86 VAL A CG1 419 C CG2 . VAL A 55 ? 1.0518 0.6516 0.8599 -0.1661 -0.1245 0.3075 86 VAL A CG2 420 N N . ASP A 56 ? 1.0498 0.8410 0.8784 -0.2661 -0.0843 0.3998 87 ASP A N 421 C CA . ASP A 56 ? 1.0296 0.8948 0.8858 -0.3065 -0.0688 0.4146 87 ASP A CA 422 C C . ASP A 56 ? 0.9456 0.8418 0.8201 -0.2823 -0.0470 0.3539 87 ASP A C 423 O O . ASP A 56 ? 0.8928 0.7890 0.7574 -0.2360 -0.0326 0.3051 87 ASP A O 424 C CB . ASP A 56 ? 1.0271 1.0243 0.8757 -0.3196 -0.0401 0.4564 87 ASP A CB 425 C CG . ASP A 56 ? 1.0095 1.1102 0.8878 -0.3541 -0.0208 0.4752 87 ASP A CG 426 O OD1 . ASP A 56 ? 1.0370 1.0953 0.9452 -0.3920 -0.0411 0.4823 87 ASP A OD1 427 O OD2 . ASP A 56 ? 0.9809 1.2095 0.8507 -0.3395 0.0125 0.4805 87 ASP A OD2 428 N N . PHE A 57 ? 0.9406 0.8701 0.8434 -0.3170 -0.0460 0.3620 88 PHE A N 429 C CA . PHE A 57 ? 0.8774 0.8322 0.7974 -0.2967 -0.0295 0.3102 88 PHE A CA 430 C C . PHE A 57 ? 0.8633 0.9348 0.8096 -0.3261 -0.0103 0.3326 88 PHE A C 431 O O . PHE A 57 ? 0.8881 0.9503 0.8617 -0.3588 -0.0265 0.3377 88 PHE A O 432 C CB . PHE A 57 ? 0.9005 0.7442 0.8277 -0.2994 -0.0618 0.2834 88 PHE A CB 433 C CG . PHE A 57 ? 0.9043 0.6547 0.8076 -0.2538 -0.0746 0.2478 88 PHE A CG 434 C CD1 . PHE A 57 ? 0.8330 0.5965 0.7336 -0.2071 -0.0536 0.1958 88 PHE A CD1 435 C CD2 . PHE A 57 ? 0.9832 0.6371 0.8670 -0.2564 -0.1089 0.2701 88 PHE A CD2 436 C CE1 . PHE A 57 ? 0.8353 0.5376 0.7200 -0.1656 -0.0629 0.1680 88 PHE A CE1 437 C CE2 . PHE A 57 ? 0.9890 0.5747 0.8520 -0.2062 -0.1193 0.2368 88 PHE A CE2 438 C CZ . PHE A 57 ? 0.9118 0.5317 0.7782 -0.1616 -0.0945 0.1864 88 PHE A CZ 439 N N . PRO A 58 ? 0.8371 1.0243 0.7732 -0.3087 0.0228 0.3414 89 PRO A N 440 C CA . PRO A 58 ? 0.8379 1.1632 0.7944 -0.3355 0.0419 0.3815 89 PRO A CA 441 C C . PRO A 58 ? 0.7984 1.1828 0.7850 -0.3336 0.0524 0.3565 89 PRO A C 442 O O . PRO A 58 ? 0.8086 1.2907 0.8276 -0.3730 0.0549 0.3983 89 PRO A O 443 C CB . PRO A 58 ? 0.8158 1.2318 0.7371 -0.2930 0.0731 0.3768 89 PRO A CB 444 C CG . PRO A 58 ? 0.7744 1.1107 0.6690 -0.2401 0.0747 0.3117 89 PRO A CG 445 C CD . PRO A 58 ? 0.7938 0.9920 0.6973 -0.2534 0.0437 0.3013 89 PRO A CD 446 N N . ASN A 59 ? 0.7562 1.0909 0.7345 -0.2901 0.0577 0.2942 90 ASN A N 447 C CA . ASN A 59 ? 0.7351 1.1259 0.7378 -0.2833 0.0665 0.2722 90 ASN A CA 448 C C . ASN A 59 ? 0.7615 1.0829 0.7936 -0.3192 0.0349 0.2683 90 ASN A C 449 O O . ASN A 59 ? 0.7692 0.9666 0.7890 -0.3118 0.0125 0.2405 90 ASN A O 450 C CB . ASN A 59 ? 0.6861 1.0756 0.6644 -0.2195 0.0883 0.2133 90 ASN A CB 451 C CG . ASN A 59 ? 0.6598 1.1469 0.6556 -0.2026 0.1044 0.2014 90 ASN A CG 452 O OD1 . ASN A 59 ? 0.6571 1.2593 0.6459 -0.1814 0.1274 0.2116 90 ASN A OD1 453 N ND2 . ASN A 59 ? 0.6436 1.0920 0.6595 -0.2077 0.0912 0.1802 90 ASN A ND2 454 N N . SER A 60 ? 0.7669 1.1820 0.8363 -0.3528 0.0334 0.2940 91 SER A N 455 C CA . SER A 60 ? 0.7902 1.1654 0.8904 -0.3916 0.0005 0.2921 91 SER A CA 456 C C . SER A 60 ? 0.7660 1.0422 0.8480 -0.3502 -0.0084 0.2283 91 SER A C 457 O O . SER A 60 ? 0.8133 0.9911 0.8969 -0.3716 -0.0449 0.2169 91 SER A O 458 C CB . SER A 60 ? 0.7706 1.3002 0.9137 -0.4144 0.0113 0.3179 91 SER A CB 459 O OG . SER A 60 ? 0.7931 1.2977 0.9673 -0.4510 -0.0224 0.3122 91 SER A OG 460 N N . GLN A 61 ? 0.7056 1.0065 0.7667 -0.2902 0.0226 0.1883 92 GLN A N 461 C CA . GLN A 61 ? 0.6817 0.9169 0.7288 -0.2521 0.0193 0.1368 92 GLN A CA 462 C C . GLN A 61 ? 0.6856 0.7961 0.7038 -0.2333 0.0069 0.1129 92 GLN A C 463 O O . GLN A 61 ? 0.6809 0.7285 0.6890 -0.2127 -0.0047 0.0790 92 GLN A O 464 C CB . GLN A 61 ? 0.6368 0.9319 0.6694 -0.1972 0.0530 0.1085 92 GLN A CB 465 C CG . GLN A 61 ? 0.6214 1.0182 0.6784 -0.1934 0.0594 0.1087 92 GLN A CG 466 C CD . GLN A 61 ? 0.5929 1.0611 0.6305 -0.1397 0.0916 0.0934 92 GLN A CD 467 O OE1 . GLN A 61 ? 0.5741 0.9910 0.5840 -0.0934 0.1004 0.0569 92 GLN A OE1 468 N NE2 . GLN A 61 ? 0.5855 1.1712 0.6338 -0.1436 0.1076 0.1225 92 GLN A NE2 469 N N . PHE A 62 ? 0.6953 0.7822 0.6989 -0.2359 0.0105 0.1316 93 PHE A N 470 C CA . PHE A 62 ? 0.7019 0.6897 0.6808 -0.2134 0.0006 0.1124 93 PHE A CA 471 C C . PHE A 62 ? 0.7660 0.6970 0.7448 -0.2514 -0.0291 0.1472 93 PHE A C 472 O O . PHE A 62 ? 0.7743 0.7041 0.7408 -0.2527 -0.0241 0.1708 93 PHE A O 473 C CB . PHE A 62 ? 0.6622 0.6712 0.6213 -0.1779 0.0279 0.1016 93 PHE A CB 474 C CG . PHE A 62 ? 0.6144 0.6712 0.5694 -0.1435 0.0530 0.0730 93 PHE A CG 475 C CD1 . PHE A 62 ? 0.5862 0.5966 0.5287 -0.1103 0.0576 0.0401 93 PHE A CD1 476 C CD2 . PHE A 62 ? 0.5972 0.7483 0.5587 -0.1417 0.0713 0.0820 93 PHE A CD2 477 C CE1 . PHE A 62 ? 0.5538 0.5926 0.4891 -0.0817 0.0760 0.0191 93 PHE A CE1 478 C CE2 . PHE A 62 ? 0.5639 0.7416 0.5138 -0.1031 0.0894 0.0538 93 PHE A CE2 479 C CZ . PHE A 62 ? 0.5528 0.6655 0.4892 -0.0765 0.0897 0.0239 93 PHE A CZ 480 N N . SER A 63 ? 0.8163 0.6962 0.8063 -0.2833 -0.0642 0.1514 94 SER A N 481 C CA . SER A 63 ? 0.8966 0.7055 0.8856 -0.3261 -0.1017 0.1878 94 SER A CA 482 C C . SER A 63 ? 0.9331 0.6245 0.8873 -0.2897 -0.1206 0.1650 94 SER A C 483 O O . SER A 63 ? 0.8963 0.5619 0.8334 -0.2383 -0.1108 0.1194 94 SER A O 484 C CB . SER A 63 ? 0.9562 0.7386 0.9673 -0.3772 -0.1420 0.1985 94 SER A CB 485 O OG . SER A 63 ? 0.9749 0.6772 0.9686 -0.3482 -0.1653 0.1466 94 SER A OG 486 N N . LYS A 64 ? 1.0060 0.6390 0.9513 -0.3171 -0.1465 0.2038 95 LYS A N 487 C CA . LYS A 64 ? 1.0801 0.5899 0.9924 -0.2909 -0.1780 0.1940 95 LYS A CA 488 C C . LYS A 64 ? 1.1316 0.5380 1.0222 -0.2588 -0.2120 0.1423 95 LYS A C 489 O O . LYS A 64 ? 1.1608 0.4936 1.0198 -0.2072 -0.2240 0.1148 95 LYS A O 490 C CB . LYS A 64 ? 1.1781 0.6319 1.0883 -0.3444 -0.2134 0.2545 95 LYS A CB 491 C CG . LYS A 64 ? 1.1902 0.7298 1.1380 -0.4202 -0.2118 0.3131 95 LYS A CG 492 C CD . LYS A 64 ? 1.1205 0.7630 1.1017 -0.4313 -0.1893 0.2937 95 LYS A CD 493 C CE . LYS A 64 ? 1.1453 0.8745 1.1685 -0.5069 -0.1960 0.3517 95 LYS A CE 494 N NZ . LYS A 64 ? 1.0576 0.9546 1.0988 -0.5011 -0.1413 0.3763 95 LYS A NZ 495 N N . ASP A 65 ? 1.1414 0.5516 1.0470 -0.2853 -0.2284 0.1288 96 ASP A N 496 C CA . ASP A 65 ? 1.1841 0.5098 1.0642 -0.2518 -0.2603 0.0751 96 ASP A CA 497 C C . ASP A 65 ? 1.0925 0.4718 0.9620 -0.1837 -0.2206 0.0267 96 ASP A C 498 O O . ASP A 65 ? 1.1324 0.4523 0.9711 -0.1356 -0.2383 -0.0185 96 ASP A O 499 C CB . ASP A 65 ? 1.2154 0.5471 1.1171 -0.3024 -0.2887 0.0754 96 ASP A CB 500 C CG . ASP A 65 ? 1.1053 0.5753 1.0392 -0.3022 -0.2437 0.0678 96 ASP A CG 501 O OD1 . ASP A 65 ? 1.0075 0.5568 0.9441 -0.2647 -0.1927 0.0618 96 ASP A OD1 502 O OD2 . ASP A 65 ? 1.1279 0.6241 1.0838 -0.3399 -0.2635 0.0682 96 ASP A OD2 503 N N . ARG A 66 ? 0.9853 0.4780 0.8780 -0.1798 -0.1692 0.0378 97 ARG A N 504 C CA . ARG A 66 ? 0.9048 0.4555 0.7940 -0.1293 -0.1322 0.0023 97 ARG A CA 505 C C . ARG A 66 ? 0.8524 0.4309 0.7365 -0.0955 -0.1020 0.0060 97 ARG A C 506 O O . ARG A 66 ? 0.8321 0.4152 0.7037 -0.0474 -0.0893 -0.0224 97 ARG A O 507 C CB . ARG A 66 ? 0.8330 0.4824 0.7495 -0.1479 -0.1036 0.0056 97 ARG A CB 508 C CG . ARG A 66 ? 0.8679 0.5090 0.7909 -0.1692 -0.1304 -0.0083 97 ARG A CG 509 C CD . ARG A 66 ? 0.7993 0.5462 0.7459 -0.1720 -0.0988 -0.0085 97 ARG A CD 510 N NE . ARG A 66 ? 0.7321 0.5122 0.6660 -0.1203 -0.0626 -0.0327 97 ARG A NE 511 C CZ . ARG A 66 ? 0.6633 0.5071 0.6057 -0.1100 -0.0254 -0.0218 97 ARG A CZ 512 N NH1 . ARG A 66 ? 0.6571 0.5520 0.6170 -0.1383 -0.0141 0.0086 97 ARG A NH1 513 N NH2 . ARG A 66 ? 0.6176 0.4744 0.5481 -0.0707 -0.0019 -0.0406 97 ARG A NH2 514 N N . LEU A 67 ? 0.8314 0.4372 0.7257 -0.1215 -0.0920 0.0428 98 LEU A N 515 C CA . LEU A 67 ? 0.7886 0.4204 0.6778 -0.0943 -0.0702 0.0461 98 LEU A CA 516 C C . LEU A 67 ? 0.8595 0.4169 0.7297 -0.0877 -0.0993 0.0620 98 LEU A C 517 O O . LEU A 67 ? 0.9475 0.4326 0.8092 -0.1144 -0.1350 0.0794 98 LEU A O 518 C CB . LEU A 67 ? 0.7334 0.4501 0.6372 -0.1158 -0.0398 0.0699 98 LEU A CB 519 C CG . LEU A 67 ? 0.6707 0.4636 0.5894 -0.1199 -0.0118 0.0593 98 LEU A CG 520 C CD1 . LEU A 67 ? 0.6225 0.4769 0.5392 -0.1149 0.0140 0.0680 98 LEU A CD1 521 C CD2 . LEU A 67 ? 0.6386 0.4298 0.5562 -0.0884 -0.0030 0.0230 98 LEU A CD2 522 N N . SER A 68 ? 0.8343 0.4072 0.6980 -0.0525 -0.0875 0.0572 99 SER A N 523 C CA . SER A 68 ? 0.8959 0.4109 0.7407 -0.0376 -0.1121 0.0739 99 SER A CA 524 C C . SER A 68 ? 0.8438 0.4137 0.6919 -0.0006 -0.0914 0.0664 99 SER A C 525 O O . SER A 68 ? 0.7789 0.4056 0.6401 0.0206 -0.0670 0.0418 99 SER A O 526 C CB . SER A 68 ? 0.9940 0.4016 0.8118 -0.0091 -0.1534 0.0531 99 SER A CB 527 O OG . SER A 68 ? 0.9773 0.4005 0.7917 0.0327 -0.1442 0.0087 99 SER A OG 528 N N . PHE A 69 ? 0.8818 0.4366 0.7191 0.0035 -0.1037 0.0919 100 PHE A N 529 C CA . PHE A 69 ? 0.8463 0.4548 0.6885 0.0367 -0.0916 0.0875 100 PHE A CA 530 C C . PHE A 69 ? 0.8922 0.4637 0.7222 0.0952 -0.1096 0.0627 100 PHE A C 531 O O . PHE A 69 ? 0.9830 0.4601 0.7856 0.1130 -0.1445 0.0638 100 PHE A O 532 C CB . PHE A 69 ? 0.8650 0.4827 0.6975 0.0213 -0.0984 0.1250 100 PHE A CB 533 C CG . PHE A 69 ? 0.8125 0.4990 0.6536 -0.0193 -0.0742 0.1422 100 PHE A CG 534 C CD1 . PHE A 69 ? 0.7431 0.5075 0.5990 -0.0147 -0.0484 0.1224 100 PHE A CD1 535 C CD2 . PHE A 69 ? 0.8485 0.5242 0.6805 -0.0607 -0.0797 0.1796 100 PHE A CD2 536 C CE1 . PHE A 69 ? 0.7116 0.5316 0.5652 -0.0410 -0.0304 0.1309 100 PHE A CE1 537 C CE2 . PHE A 69 ? 0.8066 0.5606 0.6412 -0.0868 -0.0556 0.1926 100 PHE A CE2 538 C CZ . PHE A 69 ? 0.7411 0.5621 0.5825 -0.0720 -0.0320 0.1639 100 PHE A CZ 539 N N . VAL A 70 ? 0.8361 0.4842 0.6850 0.1258 -0.0879 0.0419 101 VAL A N 540 C CA . VAL A 70 ? 0.8635 0.5148 0.7058 0.1878 -0.0955 0.0164 101 VAL A CA 541 C C . VAL A 70 ? 0.9338 0.5531 0.7568 0.2319 -0.1228 0.0253 101 VAL A C 542 O O . VAL A 70 ? 0.9736 0.5900 0.7837 0.2936 -0.1339 0.0034 101 VAL A O 543 C CB . VAL A 70 ? 0.7843 0.5503 0.6603 0.1989 -0.0627 0.0056 101 VAL A CB 544 C CG1 . VAL A 70 ? 0.8067 0.6276 0.6887 0.2573 -0.0671 0.0007 101 VAL A CG1 545 C CG2 . VAL A 70 ? 0.7573 0.5326 0.6358 0.1979 -0.0468 -0.0168 101 VAL A CG2 546 N N . ARG A 71 ? 0.9560 0.5575 0.7738 0.2051 -0.1332 0.0581 102 ARG A N 547 C CA . ARG A 71 ? 1.0281 0.6054 0.8276 0.2441 -0.1590 0.0736 102 ARG A CA 548 C C . ARG A 71 ? 1.0991 0.5840 0.8721 0.2048 -0.1842 0.1104 102 ARG A C 549 O O . ARG A 71 ? 1.0799 0.6061 0.8595 0.1693 -0.1750 0.1418 102 ARG A O 550 C CB . ARG A 71 ? 0.9642 0.6578 0.7932 0.2456 -0.1401 0.0853 102 ARG A CB 551 C CG . ARG A 71 ? 0.9419 0.7292 0.7948 0.3011 -0.1308 0.0649 102 ARG A CG 552 C CD . ARG A 71 ? 0.8454 0.7586 0.7446 0.2682 -0.1009 0.0676 102 ARG A CD 553 N NE . ARG A 71 ? 0.8382 0.8301 0.7555 0.2759 -0.1075 0.0848 102 ARG A NE 554 C CZ . ARG A 71 ? 0.8783 0.8402 0.7737 0.2749 -0.1286 0.1082 102 ARG A CZ 555 N NH1 . ARG A 71 ? 0.9363 0.7897 0.7918 0.2603 -0.1450 0.1245 102 ARG A NH1 556 N NH2 . ARG A 71 ? 0.8622 0.9110 0.7775 0.2840 -0.1345 0.1194 102 ARG A NH2 557 N N . ALA A 72 ? 1.1945 0.5572 0.9366 0.2076 -0.2174 0.1081 103 ALA A N 558 C CA . ALA A 72 ? 1.2618 0.5364 0.9851 0.1520 -0.2421 0.1513 103 ALA A CA 559 C C . ALA A 72 ? 1.3857 0.5597 1.0707 0.1691 -0.2865 0.1885 103 ALA A C 560 O O . ALA A 72 ? 1.4857 0.5435 1.1473 0.1363 -0.3221 0.2132 103 ALA A O 561 C CB . ALA A 72 ? 1.3073 0.4925 1.0208 0.1262 -0.2619 0.1361 103 ALA A CB 562 N N . ARG A 73 ? 1.3893 0.6017 1.0678 0.2142 -0.2890 0.1977 104 ARG A N 563 C CA . ARG A 73 ? 1.5287 0.6298 1.1645 0.2377 -0.3361 0.2320 104 ARG A CA 564 C C . ARG A 73 ? 1.4893 0.6885 1.1327 0.2459 -0.3212 0.2636 104 ARG A C 565 O O . ARG A 73 ? 1.5471 0.7361 1.1718 0.3087 -0.3425 0.2635 104 ARG A O 566 C CB . ARG A 73 ? 1.6393 0.6507 1.2391 0.3278 -0.3750 0.1968 104 ARG A CB 567 C CG . ARG A 73 ? 1.7364 0.7051 1.3030 0.3834 -0.4082 0.2223 104 ARG A CG 568 C CD . ARG A 73 ? 1.6353 0.7693 1.2343 0.4138 -0.3742 0.2219 104 ARG A CD 569 N NE . ARG A 73 ? 1.6237 0.8225 1.2309 0.5014 -0.3694 0.1734 104 ARG A NE 570 C CZ . ARG A 73 ? 1.6945 0.9045 1.2836 0.5816 -0.3919 0.1727 104 ARG A CZ 571 N NH1 . ARG A 73 ? 1.7811 0.9277 1.3384 0.5874 -0.4240 0.2178 104 ARG A NH1 572 N NH2 . ARG A 73 ? 1.6795 0.9745 1.2824 0.6598 -0.3821 0.1296 104 ARG A NH2 573 N N . PRO A 74 ? 1.4062 0.6947 1.0708 0.1854 -0.2899 0.2918 105 PRO A N 574 C CA . PRO A 74 ? 1.3336 0.7476 1.0127 0.1925 -0.2672 0.3012 105 PRO A CA 575 C C . PRO A 74 ? 1.4384 0.7980 1.0788 0.2068 -0.3011 0.3527 105 PRO A C 576 O O . PRO A 74 ? 1.4981 0.8018 1.1167 0.1586 -0.3134 0.4035 105 PRO A O 577 C CB . PRO A 74 ? 1.2435 0.7424 0.9425 0.1264 -0.2309 0.3128 105 PRO A CB 578 C CG . PRO A 74 ? 1.2872 0.7025 0.9792 0.0775 -0.2388 0.3316 105 PRO A CG 579 C CD . PRO A 74 ? 1.3241 0.6543 1.0153 0.1142 -0.2578 0.2902 105 PRO A CD 580 N N . GLU A 75 ? 1.4626 0.8476 1.0965 0.2726 -0.3161 0.3435 106 GLU A N 581 C CA . GLU A 75 ? 1.5623 0.9070 1.1582 0.2971 -0.3490 0.3913 106 GLU A CA 582 C C . GLU A 75 ? 1.5101 0.9635 1.1077 0.2618 -0.3294 0.4255 106 GLU A C 583 O O . GLU A 75 ? 1.5647 0.9841 1.1343 0.2206 -0.3376 0.4804 106 GLU A O 584 C CB . GLU A 75 ? 1.6023 0.9605 1.1930 0.3872 -0.3706 0.3678 106 GLU A CB 585 C CG . GLU A 75 ? 1.6327 0.9335 1.2245 0.4442 -0.3821 0.3176 106 GLU A CG 586 C CD . GLU A 75 ? 1.7918 0.9643 1.3327 0.5175 -0.4348 0.3274 106 GLU A CD 587 O OE1 . GLU A 75 ? 1.8159 1.0456 1.3524 0.5816 -0.4468 0.3306 106 GLU A OE1 588 O OE2 . GLU A 75 ? 1.9010 0.9114 1.4049 0.5114 -0.4681 0.3312 106 GLU A OE2 589 N N . THR A 76 ? 1.4137 1.0016 1.0429 0.2786 -0.3060 0.3935 107 THR A N 590 C CA . THR A 76 ? 1.3821 1.0737 1.0062 0.2599 -0.2958 0.4155 107 THR A CA 591 C C . THR A 76 ? 1.2562 1.0640 0.9195 0.2306 -0.2598 0.3737 107 THR A C 592 O O . THR A 76 ? 1.2002 1.0176 0.8983 0.2322 -0.2436 0.3316 107 THR A O 593 C CB . THR A 76 ? 1.4415 1.1669 1.0519 0.3210 -0.3238 0.4279 107 THR A CB 594 O OG1 . THR A 76 ? 1.5517 1.2152 1.1109 0.3159 -0.3490 0.4912 107 THR A OG1 595 C CG2 . THR A 76 ? 1.3593 1.2398 0.9994 0.3233 -0.3087 0.4021 107 THR A CG2 596 N N . ASN A 77 ? 1.2309 1.1225 0.8834 0.2058 -0.2501 0.3855 108 ASN A N 597 C CA . ASN A 77 ? 1.1383 1.1153 0.8152 0.1710 -0.2208 0.3484 108 ASN A CA 598 C C . ASN A 77 ? 1.0643 1.0802 0.7925 0.1836 -0.2100 0.2963 108 ASN A C 599 O O . ASN A 77 ? 1.0051 1.0160 0.7545 0.1555 -0.1867 0.2697 108 ASN A O 600 C CB . ASN A 77 ? 1.1403 1.2114 0.7967 0.1680 -0.2253 0.3539 108 ASN A CB 601 C CG . ASN A 77 ? 1.1168 1.2215 0.7518 0.1256 -0.2024 0.3528 108 ASN A CG 602 O OD1 . ASN A 77 ? 1.1466 1.2090 0.7586 0.1002 -0.1917 0.3871 108 ASN A OD1 603 N ND2 . ASN A 77 ? 1.0726 1.2559 0.7148 0.1184 -0.1972 0.3136 108 ASN A ND2 604 N N . ALA A 78 ? 1.0701 1.1335 0.8191 0.2266 -0.2270 0.2862 109 ALA A N 605 C CA . ALA A 78 ? 1.0059 1.1202 0.8065 0.2413 -0.2175 0.2476 109 ALA A CA 606 C C . ALA A 78 ? 0.9857 1.0253 0.7952 0.2321 -0.1990 0.2312 109 ALA A C 607 O O . ALA A 78 ? 0.9183 0.9920 0.7590 0.2055 -0.1764 0.2026 109 ALA A O 608 C CB . ALA A 78 ? 1.0449 1.1984 0.8601 0.3034 -0.2404 0.2509 109 ALA A CB 609 N N . ASP A 79 ? 1.0569 0.9879 0.8351 0.2506 -0.2125 0.2510 110 ASP A N 610 C CA . ASP A 79 ? 1.0562 0.9052 0.8358 0.2430 -0.2028 0.2351 110 ASP A CA 611 C C . ASP A 79 ? 0.9842 0.8454 0.7749 0.1833 -0.1735 0.2238 110 ASP A C 612 O O . ASP A 79 ? 0.9583 0.7827 0.7606 0.1746 -0.1610 0.2028 110 ASP A O 613 C CB . ASP A 79 ? 1.1659 0.8788 0.9020 0.2564 -0.2311 0.2642 110 ASP A CB 614 C CG . ASP A 79 ? 1.2384 0.9022 0.9642 0.3300 -0.2585 0.2516 110 ASP A CG 615 O OD1 . ASP A 79 ? 1.3484 0.9157 1.0335 0.3563 -0.2931 0.2805 110 ASP A OD1 616 O OD2 . ASP A 79 ? 1.1940 0.9163 0.9501 0.3646 -0.2463 0.2139 110 ASP A OD2 617 N N . LEU A 80 ? 0.9554 0.8733 0.7392 0.1494 -0.1645 0.2344 111 LEU A N 618 C CA . LEU A 80 ? 0.9024 0.8364 0.6881 0.1021 -0.1394 0.2245 111 LEU A CA 619 C C . LEU A 80 ? 0.8263 0.8301 0.6470 0.0926 -0.1222 0.1852 111 LEU A C 620 O O . LEU A 80 ? 0.7874 0.7905 0.6133 0.0636 -0.1022 0.1689 111 LEU A O 621 C CB . LEU A 80 ? 0.9232 0.8871 0.6749 0.0787 -0.1397 0.2525 111 LEU A CB 622 C CG . LEU A 80 ? 0.9936 0.8954 0.7103 0.0647 -0.1493 0.3027 111 LEU A CG 623 C CD1 . LEU A 80 ? 0.9740 0.9161 0.6753 0.0247 -0.1267 0.3130 111 LEU A CD1 624 C CD2 . LEU A 80 ? 1.0324 0.8307 0.7542 0.0686 -0.1608 0.3097 111 LEU A CD2 625 N N . ARG A 81 ? 0.8141 0.8804 0.6599 0.1155 -0.1320 0.1730 112 ARG A N 626 C CA . ARG A 81 ? 0.7567 0.8907 0.6367 0.0959 -0.1221 0.1439 112 ARG A CA 627 C C . ARG A 81 ? 0.7111 0.8271 0.6184 0.0874 -0.1008 0.1227 112 ARG A C 628 O O . ARG A 81 ? 0.6651 0.8148 0.5934 0.0614 -0.0911 0.1036 112 ARG A O 629 C CB . ARG A 81 ? 0.7575 0.9768 0.6679 0.1156 -0.1402 0.1418 112 ARG A CB 630 C CG . ARG A 81 ? 0.7878 1.0447 0.6723 0.1131 -0.1618 0.1538 112 ARG A CG 631 C CD . ARG A 81 ? 0.7789 1.1346 0.7007 0.1170 -0.1816 0.1461 112 ARG A CD 632 N NE . ARG A 81 ? 0.8352 1.2170 0.7319 0.1456 -0.2067 0.1685 112 ARG A NE 633 C CZ . ARG A 81 ? 0.8621 1.2926 0.7794 0.1888 -0.2235 0.1823 112 ARG A CZ 634 N NH1 . ARG A 81 ? 0.8358 1.3090 0.8020 0.2100 -0.2166 0.1749 112 ARG A NH1 635 N NH2 . ARG A 81 ? 0.9187 1.3657 0.8057 0.2153 -0.2477 0.2049 112 ARG A NH2 636 N N . ASP A 82 ? 0.7327 0.7889 0.6347 0.1097 -0.0976 0.1263 113 ASP A N 637 C CA . ASP A 82 ? 0.7026 0.7409 0.6231 0.1065 -0.0788 0.1065 113 ASP A CA 638 C C . ASP A 82 ? 0.7093 0.6729 0.6041 0.0823 -0.0699 0.1092 113 ASP A C 639 O O . ASP A 82 ? 0.7583 0.6524 0.6300 0.0926 -0.0819 0.1236 113 ASP A O 640 C CB . ASP A 82 ? 0.7273 0.7657 0.6604 0.1564 -0.0841 0.1002 113 ASP A CB 641 C CG . ASP A 82 ? 0.6816 0.7693 0.6490 0.1577 -0.0635 0.0804 113 ASP A CG 642 O OD1 . ASP A 82 ? 0.6410 0.8116 0.6433 0.1377 -0.0563 0.0794 113 ASP A OD1 643 O OD2 . ASP A 82 ? 0.6952 0.7392 0.6533 0.1780 -0.0576 0.0680 113 ASP A OD2 644 N N . ALA A 83 ? 0.6683 0.6467 0.5682 0.0494 -0.0520 0.0964 114 ALA A N 645 C CA . ALA A 83 ? 0.6699 0.6022 0.5528 0.0262 -0.0412 0.0988 114 ALA A CA 646 C C . ALA A 83 ? 0.6390 0.5562 0.5391 0.0274 -0.0270 0.0779 114 ALA A C 647 O O . ALA A 83 ? 0.6220 0.5274 0.5176 0.0057 -0.0142 0.0726 114 ALA A O 648 C CB . ALA A 83 ? 0.6555 0.6187 0.5238 -0.0013 -0.0319 0.0975 114 ALA A CB 649 N N . THR A 84 ? 0.6377 0.5655 0.5560 0.0571 -0.0289 0.0671 115 THR A N 650 C CA . THR A 84 ? 0.6175 0.5435 0.5490 0.0638 -0.0148 0.0482 115 THR A CA 651 C C . THR A 84 ? 0.6351 0.4938 0.5476 0.0564 -0.0164 0.0448 115 THR A C 652 O O . THR A 84 ? 0.6936 0.4929 0.5866 0.0680 -0.0363 0.0528 115 THR A O 653 C CB . THR A 84 ? 0.6336 0.5899 0.5798 0.1076 -0.0181 0.0406 115 THR A CB 654 O OG1 . THR A 84 ? 0.6282 0.6594 0.5985 0.1104 -0.0204 0.0493 115 THR A OG1 655 C CG2 . THR A 84 ? 0.6035 0.5811 0.5628 0.1151 0.0001 0.0243 115 THR A CG2 656 N N . LEU A 85 ? 0.5938 0.4595 0.5120 0.0363 0.0006 0.0339 116 LEU A N 657 C CA . LEU A 85 ? 0.6083 0.4271 0.5142 0.0216 -0.0016 0.0323 116 LEU A CA 658 C C . LEU A 85 ? 0.6040 0.4171 0.5139 0.0397 0.0045 0.0102 116 LEU A C 659 O O . LEU A 85 ? 0.5623 0.4205 0.4868 0.0429 0.0227 0.0012 116 LEU A O 660 C CB . LEU A 85 ? 0.5796 0.4209 0.4841 -0.0125 0.0118 0.0392 116 LEU A CB 661 C CG . LEU A 85 ? 0.5925 0.4075 0.4908 -0.0351 0.0087 0.0465 116 LEU A CG 662 C CD1 . LEU A 85 ? 0.6467 0.4218 0.5324 -0.0499 -0.0131 0.0748 116 LEU A CD1 663 C CD2 . LEU A 85 ? 0.5554 0.4166 0.4549 -0.0541 0.0277 0.0465 116 LEU A CD2 664 N N . ALA A 86 ? 0.6601 0.4133 0.5537 0.0497 -0.0144 0.0032 117 ALA A N 665 C CA . ALA A 86 ? 0.6717 0.4131 0.5595 0.0711 -0.0143 -0.0215 117 ALA A CA 666 C C . ALA A 86 ? 0.6722 0.3948 0.5587 0.0389 -0.0151 -0.0232 117 ALA A C 667 O O . ALA A 86 ? 0.7130 0.3943 0.5941 0.0100 -0.0332 -0.0082 117 ALA A O 668 C CB . ALA A 86 ? 0.7460 0.4272 0.6091 0.1126 -0.0426 -0.0370 117 ALA A CB 669 N N . PHE A 87 ? 0.6368 0.3963 0.5299 0.0433 0.0035 -0.0372 118 PHE A N 670 C CA . PHE A 87 ? 0.6333 0.3850 0.5251 0.0237 0.0010 -0.0440 118 PHE A CA 671 C C . PHE A 87 ? 0.6794 0.4001 0.5518 0.0555 -0.0149 -0.0715 118 PHE A C 672 O O . PHE A 87 ? 0.6718 0.4232 0.5391 0.0928 -0.0024 -0.0845 118 PHE A O 673 C CB . PHE A 87 ? 0.5731 0.3827 0.4777 0.0167 0.0293 -0.0434 118 PHE A CB 674 C CG . PHE A 87 ? 0.5403 0.3779 0.4548 -0.0115 0.0413 -0.0256 118 PHE A CG 675 C CD1 . PHE A 87 ? 0.5318 0.3899 0.4503 -0.0321 0.0450 -0.0214 118 PHE A CD1 676 C CD2 . PHE A 87 ? 0.5241 0.3771 0.4418 -0.0126 0.0482 -0.0155 118 PHE A CD2 677 C CE1 . PHE A 87 ? 0.5109 0.4047 0.4319 -0.0467 0.0569 -0.0089 118 PHE A CE1 678 C CE2 . PHE A 87 ? 0.5111 0.3896 0.4283 -0.0305 0.0569 -0.0054 118 PHE A CE2 679 C CZ . PHE A 87 ? 0.5025 0.4022 0.4191 -0.0441 0.0623 -0.0030 118 PHE A CZ 680 N N . ARG A 88 ? 0.7134 0.5727 0.5377 0.1566 0.2777 0.0495 119 ARG A N 681 C CA . ARG A 88 ? 0.7498 0.5513 0.5451 0.1391 0.2797 0.0411 119 ARG A CA 682 C C . ARG A 88 ? 0.7376 0.5331 0.5512 0.0979 0.2609 0.0293 119 ARG A C 683 O O . ARG A 88 ? 0.7202 0.5422 0.5607 0.0891 0.2573 0.0336 119 ARG A O 684 C CB . ARG A 88 ? 0.8375 0.5575 0.5698 0.1550 0.3101 0.0517 119 ARG A CB 685 C CG . ARG A 88 ? 0.8960 0.5660 0.6045 0.1407 0.3220 0.0567 119 ARG A CG 686 C CD . ARG A 88 ? 1.0084 0.5616 0.6344 0.1310 0.3402 0.0566 119 ARG A CD 687 N NE . ARG A 88 ? 1.0713 0.5656 0.6644 0.1142 0.3518 0.0651 119 ARG A NE 688 C CZ . ARG A 88 ? 1.1904 0.5663 0.6996 0.0924 0.3625 0.0646 119 ARG A CZ 689 N NH1 . ARG A 88 ? 1.2595 0.5564 0.7024 0.0878 0.3648 0.0544 119 ARG A NH1 690 N NH2 . ARG A 88 ? 1.2459 0.5734 0.7288 0.0733 0.3708 0.0754 119 ARG A NH2 691 N N . GLY A 89 ? 0.7514 0.5186 0.5516 0.0755 0.2496 0.0187 120 GLY A N 692 C CA . GLY A 89 ? 0.7385 0.5119 0.5606 0.0343 0.2282 0.0130 120 GLY A CA 693 C C . GLY A 89 ? 0.6599 0.5113 0.5418 0.0332 0.2110 0.0109 120 GLY A C 694 O O . GLY A 89 ? 0.6462 0.5236 0.5576 0.0157 0.2053 0.0203 120 GLY A O 695 N N . LEU A 90 ? 0.6158 0.5012 0.5111 0.0520 0.2040 0.0027 121 LEU A N 696 C CA . LEU A 90 ? 0.5706 0.5090 0.5019 0.0554 0.1905 -0.0007 121 LEU A CA 697 C C . LEU A 90 ? 0.5627 0.5176 0.5210 0.0301 0.1783 0.0004 121 LEU A C 698 O O . LEU A 90 ? 0.5715 0.5088 0.5257 0.0054 0.1681 -0.0033 121 LEU A O 699 C CB . LEU A 90 ? 0.5433 0.5040 0.4765 0.0670 0.1789 -0.0091 121 LEU A CB 700 C CG . LEU A 90 ? 0.5431 0.5218 0.4663 0.0915 0.1830 -0.0018 121 LEU A CG 701 C CD1 . LEU A 90 ? 0.5225 0.5283 0.4520 0.0914 0.1661 -0.0039 121 LEU A CD1 702 C CD2 . LEU A 90 ? 0.5380 0.5323 0.4618 0.1015 0.1834 0.0013 121 LEU A CD2 703 N N . ARG A 91 ? 0.5477 0.5361 0.5294 0.0390 0.1812 0.0096 122 ARG A N 704 C CA . ARG A 91 ? 0.5352 0.5561 0.5489 0.0270 0.1740 0.0188 122 ARG A CA 705 C C . ARG A 91 ? 0.5075 0.5437 0.5191 0.0495 0.1702 0.0092 122 ARG A C 706 O O . ARG A 91 ? 0.4993 0.5231 0.4855 0.0681 0.1710 -0.0009 122 ARG A O 707 C CB . ARG A 91 ? 0.5600 0.6064 0.5977 0.0264 0.1868 0.0456 122 ARG A CB 708 C CG . ARG A 91 ? 0.6094 0.6268 0.6318 0.0147 0.1967 0.0548 122 ARG A CG 709 C CD . ARG A 91 ? 0.6277 0.6752 0.6731 0.0237 0.2133 0.0832 122 ARG A CD 710 N NE . ARG A 91 ? 0.6791 0.7002 0.7164 -0.0053 0.2161 0.0984 122 ARG A NE 711 C CZ . ARG A 91 ? 0.7030 0.7420 0.7559 -0.0028 0.2312 0.1254 122 ARG A CZ 712 N NH1 . ARG A 91 ? 0.6922 0.7765 0.7685 0.0330 0.2481 0.1409 122 ARG A NH1 713 N NH2 . ARG A 91 ? 0.7424 0.7463 0.7795 -0.0356 0.2306 0.1383 122 ARG A NH2 714 N N . VAL A 92 ? 0.4970 0.5577 0.5307 0.0458 0.1650 0.0154 123 VAL A N 715 C CA . VAL A 92 ? 0.4879 0.5480 0.5073 0.0677 0.1643 0.0082 123 VAL A CA 716 C C . VAL A 92 ? 0.5215 0.5702 0.5147 0.0978 0.1813 0.0142 123 VAL A C 717 O O . VAL A 92 ? 0.5498 0.5698 0.5019 0.1117 0.1770 0.0002 123 VAL A O 718 C CB . VAL A 92 ? 0.4704 0.5601 0.5168 0.0680 0.1649 0.0228 123 VAL A CB 719 C CG1 . VAL A 92 ? 0.4797 0.5456 0.4931 0.0890 0.1636 0.0100 123 VAL A CG1 720 C CG2 . VAL A 92 ? 0.4521 0.5583 0.5266 0.0336 0.1476 0.0232 123 VAL A CG2 721 N N . GLU A 93 ? 0.5336 0.6023 0.5460 0.1051 0.1990 0.0372 124 GLU A N 722 C CA . GLU A 93 ? 0.5659 0.6236 0.5507 0.1393 0.2197 0.0471 124 GLU A CA 723 C C . GLU A 93 ? 0.5818 0.6077 0.5272 0.1466 0.2183 0.0326 124 GLU A C 724 O O . GLU A 93 ? 0.6193 0.6269 0.5299 0.1740 0.2329 0.0378 124 GLU A O 725 C CB . GLU A 93 ? 0.5717 0.6695 0.5947 0.1459 0.2407 0.0826 124 GLU A CB 726 C CG . GLU A 93 ? 0.5534 0.6995 0.6198 0.1453 0.2457 0.1103 124 GLU A CG 727 C CD . GLU A 93 ? 0.5171 0.6956 0.6306 0.0987 0.2255 0.1181 124 GLU A CD 728 O OE1 . GLU A 93 ? 0.5063 0.7388 0.6646 0.0909 0.2262 0.1492 124 GLU A OE1 729 O OE2 . GLU A 93 ? 0.5089 0.6560 0.6084 0.0715 0.2102 0.0960 124 GLU A OE2 730 N N . ASP A 94 ? 0.5604 0.5802 0.5082 0.1254 0.2031 0.0184 125 ASP A N 731 C CA . ASP A 94 ? 0.5745 0.5765 0.4904 0.1325 0.1996 0.0101 125 ASP A CA 732 C C . ASP A 94 ? 0.5877 0.5708 0.4640 0.1336 0.1799 -0.0056 125 ASP A C 733 O O . ASP A 94 ? 0.6015 0.5763 0.4477 0.1372 0.1720 -0.0074 125 ASP A O 734 C CB . ASP A 94 ? 0.5615 0.5654 0.4926 0.1162 0.1967 0.0089 125 ASP A CB 735 C CG . ASP A 94 ? 0.5710 0.5751 0.5236 0.1073 0.2122 0.0238 125 ASP A CG 736 O OD1 . ASP A 94 ? 0.5837 0.5955 0.5414 0.1189 0.2281 0.0396 125 ASP A OD1 737 O OD2 . ASP A 94 ? 0.5727 0.5636 0.5309 0.0867 0.2082 0.0213 125 ASP A OD2 738 N N . GLU A 95 ? 0.5789 0.5565 0.4551 0.1265 0.1699 -0.0137 126 GLU A N 739 C CA . GLU A 95 ? 0.6055 0.5511 0.4329 0.1255 0.1525 -0.0262 126 GLU A CA 740 C C . GLU A 95 ? 0.6616 0.5672 0.4269 0.1477 0.1609 -0.0243 126 GLU A C 741 O O . GLU A 95 ? 0.6753 0.5791 0.4404 0.1723 0.1864 -0.0119 126 GLU A O 742 C CB . GLU A 95 ? 0.6066 0.5453 0.4405 0.1238 0.1515 -0.0303 126 GLU A CB 743 C CG . GLU A 95 ? 0.6634 0.5512 0.4352 0.1227 0.1366 -0.0430 126 GLU A CG 744 C CD . GLU A 95 ? 0.6433 0.5389 0.4254 0.0930 0.1088 -0.0538 126 GLU A CD 745 O OE1 . GLU A 95 ? 0.6959 0.5468 0.4195 0.0818 0.0892 -0.0627 126 GLU A OE1 746 O OE2 . GLU A 95 ? 0.5806 0.5203 0.4210 0.0796 0.1062 -0.0519 126 GLU A OE2 747 N N . GLY A 96 ? 0.7066 0.5807 0.4163 0.1369 0.1381 -0.0332 127 GLY A N 748 C CA . GLY A 96 ? 0.7925 0.6072 0.4191 0.1535 0.1408 -0.0349 127 GLY A CA 749 C C . GLY A 96 ? 0.8420 0.6377 0.4152 0.1307 0.1089 -0.0382 127 GLY A C 750 O O . GLY A 96 ? 0.7928 0.6390 0.4068 0.1063 0.0881 -0.0325 127 GLY A O 751 N N . ASN A 97 ? 0.9473 0.6681 0.4233 0.1394 0.1058 -0.0433 128 ASN A N 752 C CA . ASN A 97 ? 1.0156 0.7126 0.4268 0.1158 0.0739 -0.0419 128 ASN A CA 753 C C . ASN A 97 ? 1.0107 0.7269 0.4205 0.1363 0.0884 -0.0292 128 ASN A C 754 O O . ASN A 97 ? 1.0694 0.7291 0.4165 0.1670 0.1110 -0.0302 128 ASN A O 755 C CB . ASN A 97 ? 1.1569 0.7422 0.4407 0.1072 0.0573 -0.0558 128 ASN A CB 756 C CG . ASN A 97 ? 1.1951 0.7650 0.4693 0.0690 0.0258 -0.0644 128 ASN A CG 757 O OD1 . ASN A 97 ? 1.1306 0.7732 0.4684 0.0352 -0.0015 -0.0551 128 ASN A OD1 758 N ND2 . ASN A 97 ? 1.3317 0.8077 0.5264 0.0777 0.0326 -0.0786 128 ASN A ND2 759 N N . TYR A 98 ? 0.9374 0.7312 0.4118 0.1225 0.0776 -0.0144 129 TYR A N 760 C CA . TYR A 98 ? 0.9236 0.7477 0.4156 0.1443 0.0961 0.0002 129 TYR A CA 761 C C . TYR A 98 ? 0.9893 0.8035 0.4186 0.1262 0.0656 0.0100 129 TYR A C 762 O O . TYR A 98 ? 0.9902 0.8384 0.4252 0.0902 0.0286 0.0199 129 TYR A O 763 C CB . TYR A 98 ? 0.8323 0.7376 0.4244 0.1474 0.1098 0.0136 129 TYR A CB 764 C CG . TYR A 98 ? 0.7808 0.6922 0.4275 0.1651 0.1420 0.0080 129 TYR A CG 765 C CD1 . TYR A 98 ? 0.7829 0.6891 0.4395 0.1936 0.1755 0.0149 129 TYR A CD1 766 C CD2 . TYR A 98 ? 0.7365 0.6621 0.4240 0.1499 0.1365 -0.0002 129 TYR A CD2 767 C CE1 . TYR A 98 ? 0.7466 0.6662 0.4548 0.2013 0.1992 0.0165 129 TYR A CE1 768 C CE2 . TYR A 98 ? 0.6990 0.6335 0.4334 0.1594 0.1604 -0.0016 129 TYR A CE2 769 C CZ . TYR A 98 ? 0.7053 0.6390 0.4510 0.1826 0.1900 0.0083 129 TYR A CZ 770 O OH . TYR A 98 ? 0.6751 0.6256 0.4696 0.1846 0.2089 0.0139 129 TYR A OH 771 N N . THR A 99 ? 1.0522 0.8243 0.4222 0.1506 0.0808 0.0116 130 THR A N 772 C CA . THR A 99 ? 1.1276 0.8798 0.4225 0.1338 0.0512 0.0214 130 THR A CA 773 C C . THR A 99 ? 1.0805 0.9079 0.4312 0.1489 0.0628 0.0458 130 THR A C 774 O O . THR A 99 ? 1.0595 0.8907 0.4358 0.1870 0.1027 0.0484 130 THR A O 775 C CB . THR A 99 ? 1.2468 0.8895 0.4192 0.1540 0.0609 0.0082 130 THR A CB 776 O OG1 . THR A 99 ? 1.3102 0.8668 0.4174 0.1496 0.0587 -0.0134 130 THR A OG1 777 C CG2 . THR A 99 ? 1.3392 0.9571 0.4237 0.1263 0.0212 0.0185 130 THR A CG2 778 N N . CYS A 100 ? 1.0739 0.9639 0.4437 0.1190 0.0284 0.0685 131 CYS A N 779 C CA . CYS A 100 ? 1.0355 1.0004 0.4535 0.1347 0.0381 0.0980 131 CYS A CA 780 C C . CYS A 100 ? 1.1296 1.0588 0.4559 0.1266 0.0152 0.1062 131 CYS A C 781 O O . CYS A 100 ? 1.2000 1.1166 0.4686 0.0832 -0.0328 0.1121 131 CYS A O 782 C CB . CYS A 100 ? 0.9805 1.0427 0.4701 0.1110 0.0149 0.1274 131 CYS A CB 783 S SG . CYS A 100 ? 0.9458 1.1014 0.5018 0.1435 0.0396 0.1692 131 CYS A SG 784 N N . GLU A 101 ? 1.1473 1.0582 0.4559 0.1645 0.0471 0.1084 132 GLU A N 785 C CA . GLU A 101 ? 1.2531 1.1161 0.4603 0.1610 0.0284 0.1139 132 GLU A CA 786 C C . GLU A 101 ? 1.2273 1.1602 0.4712 0.1833 0.0414 0.1457 132 GLU A C 787 O O . GLU A 101 ? 1.1672 1.1241 0.4712 0.2247 0.0880 0.1497 132 GLU A O 788 C CB . GLU A 101 ? 1.3366 1.0856 0.4551 0.1914 0.0568 0.0858 132 GLU A CB 789 C CG . GLU A 101 ? 1.4688 1.1413 0.4576 0.1924 0.0415 0.0869 132 GLU A CG 790 C CD . GLU A 101 ? 1.5802 1.1153 0.4475 0.2106 0.0565 0.0582 132 GLU A CD 791 O OE1 . GLU A 101 ? 1.5380 1.0531 0.4400 0.2361 0.0912 0.0429 132 GLU A OE1 792 O OE2 . GLU A 101 ? 1.7140 1.1581 0.4446 0.2001 0.0337 0.0537 132 GLU A OE2 793 N N . PHE A 102 ? 1.2822 1.2475 0.4871 0.1523 -0.0023 0.1717 133 PHE A N 794 C CA . PHE A 102 ? 1.2813 1.3086 0.5036 0.1727 0.0052 0.2060 133 PHE A CA 795 C C . PHE A 102 ? 1.3955 1.3420 0.4983 0.1779 -0.0031 0.1991 133 PHE A C 796 O O . PHE A 102 ? 1.4983 1.3847 0.4964 0.1354 -0.0512 0.1928 133 PHE A O 797 C CB . PHE A 102 ? 1.2652 1.4013 0.5292 0.1361 -0.0390 0.2513 133 PHE A CB 798 C CG . PHE A 102 ? 1.1521 1.3816 0.5364 0.1451 -0.0214 0.2705 133 PHE A CG 799 C CD1 . PHE A 102 ? 1.0870 1.3891 0.5502 0.1900 0.0202 0.2997 133 PHE A CD1 800 C CD2 . PHE A 102 ? 1.1197 1.3558 0.5287 0.1111 -0.0443 0.2608 133 PHE A CD2 801 C CE1 . PHE A 102 ? 1.0076 1.3787 0.5629 0.2033 0.0404 0.3182 133 PHE A CE1 802 C CE2 . PHE A 102 ? 1.0326 1.3487 0.5432 0.1235 -0.0256 0.2801 133 PHE A CE2 803 C CZ . PHE A 102 ? 0.9816 1.3612 0.5610 0.1708 0.0176 0.3085 133 PHE A CZ 804 N N . ALA A 103 ? 1.3891 1.3277 0.5003 0.2283 0.0433 0.2015 134 ALA A N 805 C CA . ALA A 103 ? 1.5021 1.3748 0.5048 0.2412 0.0409 0.2017 134 ALA A CA 806 C C . ALA A 103 ? 1.5175 1.4746 0.5288 0.2311 0.0151 0.2454 134 ALA A C 807 O O . ALA A 103 ? 1.4342 1.4812 0.5417 0.2606 0.0442 0.2734 134 ALA A O 808 C CB . ALA A 103 ? 1.4881 1.3127 0.4940 0.3009 0.1044 0.1872 134 ALA A CB 809 N N . THR A 104 ? 1.6367 1.5593 0.5401 0.1881 -0.0404 0.2535 135 THR A N 810 C CA . THR A 104 ? 1.6714 1.6801 0.5749 0.1702 -0.0747 0.3011 135 THR A CA 811 C C . THR A 104 ? 1.8076 1.7327 0.5779 0.1782 -0.0830 0.2982 135 THR A C 812 O O . THR A 104 ? 1.9246 1.7110 0.5639 0.1703 -0.0906 0.2614 135 THR A O 813 C CB . THR A 104 ? 1.6947 1.7680 0.6003 0.0975 -0.1468 0.3292 135 THR A CB 814 O OG1 . THR A 104 ? 1.8331 1.7817 0.5956 0.0452 -0.1953 0.2990 135 THR A OG1 815 C CG2 . THR A 104 ? 1.5669 1.7216 0.5999 0.0952 -0.1347 0.3347 135 THR A CG2 816 N N . ASP A 105 ? 1.8055 1.8097 0.6025 0.1972 -0.0791 0.3386 136 ASP A N 817 C CA . ASP A 105 ? 1.9163 1.8470 0.6052 0.2230 -0.0689 0.3359 136 ASP A CA 818 C C . ASP A 105 ? 2.0698 1.9692 0.6262 0.1630 -0.1433 0.3535 136 ASP A C 819 O O . ASP A 105 ? 2.0649 2.0689 0.6592 0.1112 -0.1984 0.3957 136 ASP A O 820 C CB . ASP A 105 ? 1.8414 1.8519 0.6167 0.2855 -0.0143 0.3655 136 ASP A CB 821 C CG . ASP A 105 ? 1.8111 1.9663 0.6506 0.2704 -0.0442 0.4278 136 ASP A CG 822 O OD1 . ASP A 105 ? 1.8341 2.0501 0.6723 0.2101 -0.1073 0.4543 136 ASP A OD1 823 O OD2 . ASP A 105 ? 1.7622 1.9742 0.6551 0.3205 -0.0025 0.4553 136 ASP A OD2 824 N N . PRO A 106 ? 2.2208 1.9716 0.6144 0.1680 -0.1460 0.3239 137 PRO A N 825 C CA . PRO A 106 ? 2.2511 1.8707 0.5880 0.2235 -0.0856 0.2770 137 PRO A CA 826 C C . PRO A 106 ? 2.3120 1.8176 0.5752 0.1937 -0.1014 0.2350 137 PRO A C 827 O O . PRO A 106 ? 2.3083 1.7334 0.5609 0.2411 -0.0473 0.2022 137 PRO A O 828 C CB . PRO A 106 ? 2.4063 1.9243 0.5879 0.2417 -0.0864 0.2755 137 PRO A CB 829 C CG . PRO A 106 ? 2.5147 2.0446 0.6063 0.1645 -0.1730 0.3018 137 PRO A CG 830 C CD . PRO A 106 ? 2.3775 2.0873 0.6298 0.1254 -0.2052 0.3435 137 PRO A CD 831 N N . ASN A 107 ? 2.3711 1.8755 0.5870 0.1155 -0.1747 0.2410 138 ASN A N 832 C CA . ASN A 107 ? 2.4404 1.8295 0.5743 0.0808 -0.1954 0.2034 138 ASN A CA 833 C C . ASN A 107 ? 2.4342 1.8880 0.5926 -0.0074 -0.2721 0.2233 138 ASN A C 834 O O . ASN A 107 ? 2.4386 1.9943 0.6195 -0.0553 -0.3261 0.2684 138 ASN A O 835 C CB . ASN A 107 ? 2.6527 1.8333 0.5581 0.0827 -0.2018 0.1703 138 ASN A CB 836 C CG . ASN A 107 ? 2.6553 1.7380 0.5367 0.1686 -0.1179 0.1375 138 ASN A CG 837 O OD1 . ASN A 107 ? 2.5557 1.6529 0.5260 0.1946 -0.0789 0.1197 138 ASN A OD1 838 N ND2 . ASN A 107 ? 2.7638 1.7508 0.5243 0.2129 -0.0903 0.1338 138 ASN A ND2 839 N N . GLY A 108 ? 2.4138 1.8209 0.5780 -0.0276 -0.2754 0.1957 139 GLY A N 840 C CA . GLY A 108 ? 2.3579 1.6942 0.5457 0.0335 -0.2069 0.1546 139 GLY A CA 841 C C . GLY A 108 ? 2.1642 1.6414 0.5419 0.0338 -0.1926 0.1657 139 GLY A C 842 O O . GLY A 108 ? 2.0996 1.7098 0.5687 -0.0077 -0.2322 0.2040 139 GLY A O 843 N N . THR A 109 ? 2.0784 1.5296 0.5131 0.0801 -0.1368 0.1370 140 THR A N 844 C CA . THR A 109 ? 1.9058 1.4787 0.5122 0.0835 -0.1196 0.1448 140 THR A CA 845 C C . THR A 109 ? 1.9068 1.4794 0.5110 0.0188 -0.1708 0.1404 140 THR A C 846 O O . THR A 109 ? 2.0473 1.4961 0.5088 -0.0219 -0.2089 0.1205 140 THR A O 847 C CB . THR A 109 ? 1.8222 1.3808 0.5000 0.1515 -0.0445 0.1213 140 THR A CB 848 O OG1 . THR A 109 ? 1.8938 1.3271 0.4847 0.1540 -0.0359 0.0853 140 THR A OG1 849 C CG2 . THR A 109 ? 1.8306 1.3768 0.4977 0.2131 0.0061 0.1272 140 THR A CG2 850 N N . ARG A 110 ? 1.7602 1.4653 0.5160 0.0112 -0.1694 0.1608 141 ARG A N 851 C CA . ARG A 110 ? 1.7420 1.4740 0.5248 -0.0459 -0.2127 0.1638 141 ARG A CA 852 C C . ARG A 110 ? 1.5943 1.3816 0.5080 -0.0134 -0.1683 0.1517 141 ARG A C 853 O O . ARG A 110 ? 1.4836 1.3369 0.4966 0.0391 -0.1175 0.1583 141 ARG A O 854 C CB . ARG A 110 ? 1.7293 1.5897 0.5613 -0.1003 -0.2701 0.2174 141 ARG A CB 855 C CG . ARG A 110 ? 1.8991 1.6840 0.5788 -0.1689 -0.3413 0.2260 141 ARG A CG 856 C CD . ARG A 110 ? 1.9022 1.8193 0.6184 -0.2095 -0.3911 0.2885 141 ARG A CD 857 N NE . ARG A 110 ? 1.9975 1.8673 0.6165 -0.1971 -0.3953 0.2938 141 ARG A NE 858 C CZ . ARG A 110 ? 2.1580 1.8526 0.6001 -0.2020 -0.4029 0.2551 141 ARG A CZ 859 N NH1 . ARG A 110 ? 2.2466 1.7895 0.5817 -0.2188 -0.4072 0.2089 141 ARG A NH1 860 N NH2 . ARG A 110 ? 2.2417 1.9065 0.6049 -0.1866 -0.4041 0.2647 141 ARG A NH2 861 N N . ARG A 111 ? 1.5976 1.3520 0.5043 -0.0472 -0.1890 0.1346 142 ARG A N 862 C CA . ARG A 111 ? 1.4840 1.2677 0.4942 -0.0164 -0.1468 0.1171 142 ARG A CA 863 C C . ARG A 111 ? 1.4579 1.2525 0.4940 -0.0620 -0.1781 0.1131 142 ARG A C 864 O O . ARG A 111 ? 1.5638 1.2875 0.5012 -0.1163 -0.2277 0.1075 142 ARG A O 865 C CB . ARG A 111 ? 1.5047 1.1854 0.4719 0.0389 -0.0915 0.0792 142 ARG A CB 866 C CG . ARG A 111 ? 1.6326 1.1665 0.4663 0.0231 -0.1043 0.0461 142 ARG A CG 867 C CD . ARG A 111 ? 1.7773 1.1883 0.4650 0.0464 -0.0939 0.0334 142 ARG A CD 868 N NE . ARG A 111 ? 1.9524 1.2449 0.4779 -0.0084 -0.1491 0.0242 142 ARG A NE 869 C CZ . ARG A 111 ? 2.1196 1.2993 0.4906 -0.0087 -0.1608 0.0187 142 ARG A CZ 870 N NH1 . ARG A 111 ? 2.1215 1.2990 0.4866 0.0476 -0.1180 0.0225 142 ARG A NH1 871 N NH2 . ARG A 111 ? 2.2921 1.3511 0.5036 -0.0673 -0.2160 0.0098 142 ARG A NH2 872 N N . GLY A 112 ? 1.3237 1.1979 0.4856 -0.0386 -0.1470 0.1155 143 GLY A N 873 C CA . GLY A 112 ? 1.2812 1.1790 0.4872 -0.0708 -0.1664 0.1134 143 GLY A CA 874 C C . GLY A 112 ? 1.2256 1.0783 0.4646 -0.0325 -0.1196 0.0779 143 GLY A C 875 O O . GLY A 112 ? 1.1804 1.0269 0.4498 0.0195 -0.0698 0.0666 143 GLY A O 876 N N . VAL A 113 ? 1.2245 1.0493 0.4587 -0.0603 -0.1367 0.0639 144 VAL A N 877 C CA . VAL A 113 ? 1.1696 0.9621 0.4396 -0.0274 -0.0961 0.0353 144 VAL A CA 878 C C . VAL A 113 ? 1.0715 0.9437 0.4450 -0.0400 -0.0981 0.0437 144 VAL A C 879 O O . VAL A 113 ? 1.0876 0.9765 0.4553 -0.0870 -0.1393 0.0550 144 VAL A O 880 C CB . VAL A 113 ? 1.2781 0.9303 0.4268 -0.0294 -0.0972 0.0030 144 VAL A CB 881 C CG1 . VAL A 113 ? 1.3564 0.9648 0.4365 -0.0921 -0.1524 0.0034 144 VAL A CG1 882 C CG2 . VAL A 113 ? 1.2231 0.8566 0.4161 0.0130 -0.0499 -0.0182 144 VAL A CG2 883 N N . THR A 114 ? 0.9743 0.8915 0.4363 0.0003 -0.0541 0.0400 145 THR A N 884 C CA . THR A 114 ? 0.8870 0.8651 0.4370 -0.0030 -0.0480 0.0444 145 THR A CA 885 C C . THR A 114 ? 0.8797 0.7986 0.4265 0.0142 -0.0230 0.0132 145 THR A C 886 O O . THR A 114 ? 0.8896 0.7709 0.4259 0.0491 0.0113 -0.0006 145 THR A O 887 C CB . THR A 114 ? 0.7946 0.8573 0.4368 0.0281 -0.0166 0.0652 145 THR A CB 888 O OG1 . THR A 114 ? 0.8000 0.9349 0.4585 0.0172 -0.0364 0.1028 145 THR A OG1 889 C CG2 . THR A 114 ? 0.7259 0.8264 0.4375 0.0294 -0.0058 0.0650 145 THR A CG2 890 N N . TRP A 115 ? 0.8616 0.7787 0.4206 -0.0097 -0.0397 0.0070 146 TRP A N 891 C CA . TRP A 115 ? 0.8357 0.7161 0.4073 0.0080 -0.0153 -0.0160 146 TRP A CA 892 C C . TRP A 115 ? 0.7405 0.6925 0.4108 0.0237 0.0081 -0.0090 146 TRP A C 893 O O . TRP A 115 ? 0.6977 0.7046 0.4147 0.0060 -0.0063 0.0048 146 TRP A O 894 C CB . TRP A 115 ? 0.8848 0.7124 0.4066 -0.0233 -0.0427 -0.0278 146 TRP A CB 895 C CG . TRP A 115 ? 0.8645 0.6562 0.3964 -0.0032 -0.0177 -0.0475 146 TRP A CG 896 C CD1 . TRP A 115 ? 0.8169 0.6177 0.3911 0.0358 0.0229 -0.0534 146 TRP A CD1 897 C CD2 . TRP A 115 ? 0.8988 0.6429 0.3977 -0.0230 -0.0328 -0.0593 146 TRP A CD2 898 N NE1 . TRP A 115 ? 0.8149 0.5889 0.3914 0.0421 0.0330 -0.0647 146 TRP A NE1 899 C CE2 . TRP A 115 ? 0.8653 0.6000 0.3948 0.0110 0.0029 -0.0705 146 TRP A CE2 900 C CE3 . TRP A 115 ? 0.9551 0.6660 0.4036 -0.0671 -0.0726 -0.0583 146 TRP A CE3 901 C CZ2 . TRP A 115 ? 0.8855 0.5788 0.3948 0.0070 0.0019 -0.0811 146 TRP A CZ2 902 C CZ3 . TRP A 115 ? 0.9767 0.6371 0.4011 -0.0727 -0.0730 -0.0719 146 TRP A CZ3 903 C CH2 . TRP A 115 ? 0.9399 0.5916 0.3939 -0.0334 -0.0350 -0.0835 146 TRP A CH2 904 N N . LEU A 116 ? 0.7089 0.6571 0.4055 0.0565 0.0446 -0.0156 147 LEU A N 905 C CA . LEU A 116 ? 0.6380 0.6304 0.4085 0.0680 0.0666 -0.0123 147 LEU A CA 906 C C . LEU A 116 ? 0.6183 0.5921 0.4052 0.0657 0.0726 -0.0279 147 LEU A C 907 O O . LEU A 116 ? 0.6318 0.5714 0.4025 0.0814 0.0896 -0.0367 147 LEU A O 908 C CB . LEU A 116 ? 0.6252 0.6236 0.4140 0.0953 0.0980 -0.0067 147 LEU A CB 909 C CG . LEU A 116 ? 0.5744 0.5933 0.4180 0.1030 0.1208 -0.0051 147 LEU A CG 910 C CD1 . LEU A 116 ? 0.5474 0.6008 0.4217 0.0922 0.1118 0.0030 147 LEU A CD1 911 C CD2 . LEU A 116 ? 0.5747 0.5963 0.4256 0.1230 0.1460 0.0056 147 LEU A CD2 912 N N . ARG A 117 ? 0.5894 0.5913 0.4096 0.0488 0.0602 -0.0264 148 ARG A N 913 C CA . ARG A 117 ? 0.5720 0.5626 0.4103 0.0445 0.0630 -0.0389 148 ARG A CA 914 C C . ARG A 117 ? 0.5269 0.5488 0.4190 0.0485 0.0784 -0.0356 148 ARG A C 915 O O . ARG A 117 ? 0.5114 0.5652 0.4253 0.0460 0.0764 -0.0237 148 ARG A O 916 C CB . ARG A 117 ? 0.5821 0.5670 0.4047 0.0191 0.0350 -0.0415 148 ARG A CB 917 C CG . ARG A 117 ? 0.6528 0.5923 0.4045 0.0039 0.0117 -0.0439 148 ARG A CG 918 C CD . ARG A 117 ? 0.6699 0.6152 0.4125 -0.0309 -0.0214 -0.0387 148 ARG A CD 919 N NE . ARG A 117 ? 0.6925 0.5857 0.4067 -0.0355 -0.0232 -0.0553 148 ARG A NE 920 C CZ . ARG A 117 ? 0.6484 0.5644 0.4032 -0.0425 -0.0243 -0.0565 148 ARG A CZ 921 N NH1 . ARG A 117 ? 0.5796 0.5646 0.4009 -0.0448 -0.0229 -0.0429 148 ARG A NH1 922 N NH2 . ARG A 117 ? 0.6848 0.5474 0.4055 -0.0433 -0.0241 -0.0701 148 ARG A NH2 923 N N . VAL A 118 ? 0.5167 0.5268 0.4241 0.0548 0.0938 -0.0426 149 VAL A N 924 C CA . VAL A 118 ? 0.4827 0.5060 0.4257 0.0514 0.1046 -0.0411 149 VAL A CA 925 C C . VAL A 118 ? 0.4598 0.4865 0.4172 0.0373 0.0933 -0.0484 149 VAL A C 926 O O . VAL A 118 ? 0.4721 0.4897 0.4274 0.0364 0.0910 -0.0536 149 VAL A O 927 C CB . VAL A 118 ? 0.4842 0.5016 0.4382 0.0583 0.1233 -0.0371 149 VAL A CB 928 C CG1 . VAL A 118 ? 0.4695 0.4873 0.4449 0.0451 0.1288 -0.0348 149 VAL A CG1 929 C CG2 . VAL A 118 ? 0.5017 0.5142 0.4395 0.0743 0.1359 -0.0292 149 VAL A CG2 930 N N . ILE A 119 ? 0.4403 0.4788 0.4098 0.0310 0.0900 -0.0458 150 ILE A N 931 C CA . ILE A 119 ? 0.4287 0.4715 0.4095 0.0187 0.0788 -0.0513 150 ILE A CA 932 C C . ILE A 119 ? 0.4182 0.4511 0.4097 0.0125 0.0870 -0.0538 150 ILE A C 933 O O . ILE A 119 ? 0.4346 0.4533 0.4171 0.0166 0.0995 -0.0493 150 ILE A O 934 C CB . ILE A 119 ? 0.4283 0.4935 0.4112 0.0154 0.0674 -0.0419 150 ILE A CB 935 C CG1 . ILE A 119 ? 0.4449 0.5145 0.4098 0.0072 0.0485 -0.0391 150 ILE A CG1 936 C CG2 . ILE A 119 ? 0.4154 0.4849 0.4109 0.0064 0.0613 -0.0448 150 ILE A CG2 937 C CD1 . ILE A 119 ? 0.4652 0.5468 0.4192 0.0158 0.0512 -0.0266 150 ILE A CD1 938 N N . ALA A 120 ? 0.4028 0.4367 0.4053 0.0016 0.0794 -0.0596 151 ALA A N 939 C CA . ALA A 120 ? 0.4130 0.4359 0.4184 -0.0114 0.0805 -0.0606 151 ALA A CA 940 C C . ALA A 120 ? 0.4161 0.4417 0.4232 -0.0180 0.0702 -0.0649 151 ALA A C 941 O O . ALA A 120 ? 0.4134 0.4533 0.4321 -0.0204 0.0599 -0.0677 151 ALA A O 942 C CB . ALA A 120 ? 0.4092 0.4409 0.4310 -0.0213 0.0804 -0.0555 151 ALA A CB 943 N N . GLN A 121 ? 0.4373 0.4417 0.4251 -0.0177 0.0760 -0.0641 152 GLN A N 944 C CA . GLN A 121 ? 0.4342 0.4375 0.4185 -0.0204 0.0703 -0.0656 152 GLN A CA 945 C C . GLN A 121 ? 0.4389 0.4367 0.4273 -0.0408 0.0589 -0.0713 152 GLN A C 946 O O . GLN A 121 ? 0.4690 0.4431 0.4418 -0.0562 0.0588 -0.0711 152 GLN A O 947 C CB . GLN A 121 ? 0.4702 0.4406 0.4193 -0.0072 0.0863 -0.0598 152 GLN A CB 948 C CG . GLN A 121 ? 0.4833 0.4416 0.4179 -0.0069 0.0851 -0.0599 152 GLN A CG 949 C CD . GLN A 121 ? 0.5289 0.4570 0.4246 0.0192 0.1084 -0.0476 152 GLN A CD 950 O OE1 . GLN A 121 ? 0.5753 0.4564 0.4275 0.0217 0.1159 -0.0498 152 GLN A OE1 951 N NE2 . GLN A 121 ? 0.5235 0.4758 0.4287 0.0418 0.1219 -0.0313 152 GLN A NE2 952 N N . PRO A 122 ? 0.4156 0.4363 0.4233 -0.0438 0.0476 -0.0731 153 PRO A N 953 C CA . PRO A 122 ? 0.4166 0.4428 0.4329 -0.0603 0.0370 -0.0734 153 PRO A CA 954 C C . PRO A 122 ? 0.4518 0.4497 0.4396 -0.0698 0.0340 -0.0762 153 PRO A C 955 O O . PRO A 122 ? 0.4642 0.4407 0.4279 -0.0563 0.0437 -0.0769 153 PRO A O 956 C CB . PRO A 122 ? 0.3929 0.4456 0.4319 -0.0537 0.0303 -0.0734 153 PRO A CB 957 C CG . PRO A 122 ? 0.3847 0.4369 0.4176 -0.0431 0.0316 -0.0743 153 PRO A CG 958 C CD . PRO A 122 ? 0.3993 0.4423 0.4204 -0.0348 0.0425 -0.0717 153 PRO A CD 959 N N . GLU A 123 ? 0.4746 0.4746 0.4635 -0.0916 0.0212 -0.0737 154 GLU A N 960 C CA . GLU A 123 ? 0.5122 0.4842 0.4695 -0.1039 0.0137 -0.0767 154 GLU A CA 961 C C . GLU A 123 ? 0.4816 0.4921 0.4704 -0.1012 0.0043 -0.0744 154 GLU A C 962 O O . GLU A 123 ? 0.4538 0.5058 0.4804 -0.1043 -0.0022 -0.0659 154 GLU A O 963 C CB . GLU A 123 ? 0.5702 0.5158 0.4995 -0.1379 0.0002 -0.0722 154 GLU A CB 964 C CG . GLU A 123 ? 0.6388 0.5536 0.5286 -0.1578 -0.0141 -0.0742 154 GLU A CG 965 C CD . GLU A 123 ? 0.6855 0.5497 0.5265 -0.1338 0.0013 -0.0848 154 GLU A CD 966 O OE1 . GLU A 123 ? 0.6859 0.5678 0.5369 -0.1258 -0.0019 -0.0851 154 GLU A OE1 967 O OE2 . GLU A 123 ? 0.7686 0.5781 0.5620 -0.1190 0.0197 -0.0890 154 GLU A OE2 968 N N . ASN A 124 ? 0.4883 0.4827 0.4581 -0.0915 0.0072 -0.0785 155 ASN A N 969 C CA . ASN A 124 ? 0.4581 0.4812 0.4518 -0.0877 0.0002 -0.0762 155 ASN A CA 970 C C . ASN A 124 ? 0.4878 0.4880 0.4501 -0.0971 -0.0068 -0.0770 155 ASN A C 971 O O . ASN A 124 ? 0.5354 0.4849 0.4453 -0.0951 0.0005 -0.0811 155 ASN A O 972 C CB . ASN A 124 ? 0.4347 0.4702 0.4420 -0.0673 0.0092 -0.0753 155 ASN A CB 973 C CG . ASN A 124 ? 0.4199 0.4637 0.4394 -0.0595 0.0156 -0.0750 155 ASN A CG 974 O OD1 . ASN A 124 ? 0.4324 0.4594 0.4337 -0.0511 0.0266 -0.0737 155 ASN A OD1 975 N ND2 . ASN A 124 ? 0.3987 0.4623 0.4415 -0.0595 0.0109 -0.0747 155 ASN A ND2 976 N N . HIS A 125 ? 0.4621 0.4937 0.4491 -0.1037 -0.0186 -0.0717 156 HIS A N 977 C CA . HIS A 125 ? 0.4849 0.5004 0.4446 -0.1119 -0.0270 -0.0711 156 HIS A CA 978 C C . HIS A 125 ? 0.4482 0.5080 0.4474 -0.1074 -0.0335 -0.0632 156 HIS A C 979 O O . HIS A 125 ? 0.4245 0.5226 0.4633 -0.1050 -0.0350 -0.0551 156 HIS A O 980 C CB . HIS A 125 ? 0.5352 0.5211 0.4539 -0.1439 -0.0435 -0.0695 156 HIS A CB 981 C CG . HIS A 125 ? 0.5177 0.5590 0.4786 -0.1658 -0.0621 -0.0530 156 HIS A CG 982 N ND1 . HIS A 125 ? 0.5223 0.5878 0.5078 -0.1775 -0.0650 -0.0434 156 HIS A ND1 983 C CD2 . HIS A 125 ? 0.5123 0.5979 0.4994 -0.1736 -0.0759 -0.0383 156 HIS A CD2 984 C CE1 . HIS A 125 ? 0.5091 0.6370 0.5375 -0.1909 -0.0790 -0.0197 156 HIS A CE1 985 N NE2 . HIS A 125 ? 0.5029 0.6432 0.5319 -0.1879 -0.0856 -0.0166 156 HIS A NE2 986 N N . ALA A 126 ? 0.4565 0.5060 0.4391 -0.1022 -0.0338 -0.0634 157 ALA A N 987 C CA . ALA A 126 ? 0.4326 0.5157 0.4434 -0.0985 -0.0395 -0.0549 157 ALA A CA 988 C C . ALA A 126 ? 0.4765 0.5461 0.4545 -0.1134 -0.0524 -0.0518 157 ALA A C 989 O O . ALA A 126 ? 0.5192 0.5383 0.4417 -0.1172 -0.0506 -0.0594 157 ALA A O 990 C CB . ALA A 126 ? 0.4073 0.4937 0.4321 -0.0786 -0.0283 -0.0553 157 ALA A CB 991 N N . GLU A 127 ? 0.4719 0.5819 0.4767 -0.1200 -0.0641 -0.0382 158 GLU A N 992 C CA . GLU A 127 ? 0.5183 0.6232 0.4955 -0.1337 -0.0785 -0.0323 158 GLU A CA 993 C C . GLU A 127 ? 0.4899 0.6365 0.5052 -0.1173 -0.0760 -0.0196 158 GLU A C 994 O O . GLU A 127 ? 0.4526 0.6283 0.5100 -0.0999 -0.0654 -0.0134 158 GLU A O 995 C CB . GLU A 127 ? 0.5655 0.6812 0.5280 -0.1706 -0.1037 -0.0201 158 GLU A CB 996 C CG . GLU A 127 ? 0.5902 0.6865 0.5400 -0.1894 -0.1070 -0.0242 158 GLU A CG 997 C CD . GLU A 127 ? 0.5647 0.7323 0.5785 -0.1953 -0.1116 -0.0014 158 GLU A CD 998 O OE1 . GLU A 127 ? 0.5424 0.7637 0.6093 -0.1706 -0.1013 0.0126 158 GLU A OE1 999 O OE2 . GLU A 127 ? 0.5855 0.7521 0.5921 -0.2227 -0.1233 0.0055 158 GLU A OE2 1000 N N . ALA A 128 ? 0.5165 0.6556 0.5068 -0.1213 -0.0840 -0.0159 159 ALA A N 1001 C CA . ALA A 128 ? 0.4945 0.6716 0.5154 -0.1077 -0.0830 -0.0010 159 ALA A CA 1002 C C . ALA A 128 ? 0.5091 0.7405 0.5535 -0.1253 -0.1015 0.0237 159 ALA A C 1003 O O . ALA A 128 ? 0.5522 0.7802 0.5711 -0.1577 -0.1228 0.0276 159 ALA A O 1004 C CB . ALA A 128 ? 0.5122 0.6606 0.4963 -0.1025 -0.0823 -0.0050 159 ALA A CB 1005 N N . GLN A 129 ? 0.4889 0.7691 0.5782 -0.1048 -0.0934 0.0445 160 GLN A N 1006 C CA . GLN A 129 ? 0.5005 0.8482 0.6182 -0.1151 -0.1086 0.0789 160 GLN A CA 1007 C C . GLN A 129 ? 0.5154 0.8709 0.6253 -0.1065 -0.1112 0.0879 160 GLN A C 1008 O O . GLN A 129 ? 0.5033 0.8434 0.6209 -0.0757 -0.0902 0.0831 160 GLN A O 1009 C CB . GLN A 129 ? 0.4809 0.8810 0.6515 -0.0887 -0.0910 0.1047 160 GLN A CB 1010 C CG . GLN A 129 ? 0.4936 0.9394 0.6896 -0.1095 -0.1021 0.1249 160 GLN A CG 1011 C CD . GLN A 129 ? 0.4991 0.9002 0.6848 -0.1071 -0.0900 0.0987 160 GLN A CD 1012 O OE1 . GLN A 129 ? 0.5265 0.9146 0.6954 -0.1394 -0.1063 0.0909 160 GLN A OE1 1013 N NE2 . GLN A 129 ? 0.4764 0.8467 0.6645 -0.0710 -0.0626 0.0856 160 GLN A NE2 1014 N N . GLU A 130 ? 0.5510 0.9242 0.6388 -0.1367 -0.1387 0.1012 161 GLU A N 1015 C CA . GLU A 130 ? 0.5661 0.9564 0.6498 -0.1274 -0.1419 0.1150 161 GLU A CA 1016 C C . GLU A 130 ? 0.5379 1.0073 0.6840 -0.1011 -0.1305 0.1541 161 GLU A C 1017 O O . GLU A 130 ? 0.5193 1.0495 0.7045 -0.1081 -0.1358 0.1825 161 GLU A O 1018 C CB . GLU A 130 ? 0.6335 1.0171 0.6668 -0.1688 -0.1770 0.1209 161 GLU A CB 1019 C CG . GLU A 130 ? 0.6620 1.1137 0.7142 -0.2103 -0.2107 0.1566 161 GLU A CG 1020 C CD . GLU A 130 ? 0.7328 1.1769 0.7278 -0.2544 -0.2499 0.1675 161 GLU A CD 1021 O OE1 . GLU A 130 ? 0.7614 1.1555 0.7082 -0.2429 -0.2459 0.1506 161 GLU A OE1 1022 O OE2 . GLU A 130 ? 0.7641 1.2530 0.7604 -0.3028 -0.2860 0.1961 161 GLU A OE2 1023 N N . VAL A 131 ? 0.5295 0.9955 0.6822 -0.0678 -0.1114 0.1588 162 VAL A N 1024 C CA . VAL A 131 ? 0.5178 1.0428 0.7159 -0.0321 -0.0924 0.1972 162 VAL A CA 1025 C C . VAL A 131 ? 0.5343 1.0717 0.7253 -0.0198 -0.0931 0.2120 162 VAL A C 1026 O O . VAL A 131 ? 0.5642 1.0463 0.7165 -0.0261 -0.0959 0.1845 162 VAL A O 1027 C CB . VAL A 131 ? 0.4988 0.9788 0.7014 0.0078 -0.0560 0.1841 162 VAL A CB 1028 C CG1 . VAL A 131 ? 0.4783 0.9567 0.6922 0.0009 -0.0532 0.1767 162 VAL A CG1 1029 C CG2 . VAL A 131 ? 0.4922 0.8901 0.6570 0.0124 -0.0462 0.1463 162 VAL A CG2 1030 N N . THR A 132 ? 0.5403 1.1532 0.7686 0.0004 -0.0885 0.2590 163 THR A N 1031 C CA . THR A 132 ? 0.5646 1.1847 0.7864 0.0209 -0.0825 0.2740 163 THR A CA 1032 C C . THR A 132 ? 0.5513 1.1175 0.7676 0.0708 -0.0408 0.2668 163 THR A C 1033 O O . THR A 132 ? 0.5429 1.0924 0.7682 0.0958 -0.0162 0.2684 163 THR A O 1034 C CB . THR A 132 ? 0.5891 1.3179 0.8499 0.0214 -0.0969 0.3336 163 THR A CB 1035 O OG1 . THR A 132 ? 0.5914 1.3823 0.9018 0.0598 -0.0706 0.3772 163 THR A OG1 1036 C CG2 . THR A 132 ? 0.6184 1.3928 0.8732 -0.0391 -0.1455 0.3433 163 THR A CG2 1037 N N . ILE A 133 ? 0.5526 1.0825 0.7452 0.0829 -0.0335 0.2590 164 ILE A N 1038 C CA . ILE A 133 ? 0.5654 1.0374 0.7428 0.1248 0.0028 0.2573 164 ILE A CA 1039 C C . ILE A 133 ? 0.5795 1.0971 0.7820 0.1698 0.0297 0.3041 164 ILE A C 1040 O O . ILE A 133 ? 0.5766 1.1905 0.8183 0.1686 0.0175 0.3457 164 ILE A O 1041 C CB . ILE A 133 ? 0.5808 1.0238 0.7348 0.1286 0.0036 0.2523 164 ILE A CB 1042 C CG1 . ILE A 133 ? 0.5749 0.9718 0.7012 0.0929 -0.0157 0.2116 164 ILE A CG1 1043 C CG2 . ILE A 133 ? 0.6121 0.9910 0.7440 0.1677 0.0391 0.2562 164 ILE A CG2 1044 C CD1 . ILE A 133 ? 0.5643 0.9002 0.6777 0.0818 -0.0098 0.1768 164 ILE A CD1 1045 N N . GLY A 134 ? 0.6088 1.0553 0.7835 0.2088 0.0664 0.3011 165 GLY A N 1046 C CA . GLY A 134 ? 0.6369 1.1082 0.8203 0.2630 0.1021 0.3467 165 GLY A CA 1047 C C . GLY A 134 ? 0.6870 1.0481 0.8156 0.2964 0.1392 0.3304 165 GLY A C 1048 O O . GLY A 134 ? 0.6812 0.9650 0.7779 0.2689 0.1305 0.2848 165 GLY A O 1049 N N . PRO A 135 ? 0.7453 1.0967 0.8565 0.3573 0.1815 0.3712 166 PRO A N 1050 C CA . PRO A 135 ? 0.8329 1.0506 0.8627 0.3974 0.2228 0.3603 166 PRO A CA 1051 C C . PRO A 135 ? 0.8512 1.0206 0.8551 0.4012 0.2338 0.3433 166 PRO A C 1052 O O . PRO A 135 ? 0.9117 0.9493 0.8363 0.4048 0.2489 0.3124 166 PRO A O 1053 C CB . PRO A 135 ? 0.8942 1.1337 0.9159 0.4687 0.2674 0.4200 166 PRO A CB 1054 C CG . PRO A 135 ? 0.8275 1.2384 0.9440 0.4666 0.2492 0.4701 166 PRO A CG 1055 C CD . PRO A 135 ? 0.7372 1.2121 0.9045 0.3921 0.1926 0.4372 166 PRO A CD 1056 N N . GLN A 136 ? 0.8026 1.0771 0.8696 0.3975 0.2244 0.3658 167 GLN A N 1057 C CA . GLN A 136 ? 0.8145 1.0581 0.8664 0.3983 0.2320 0.3512 167 GLN A CA 1058 C C . GLN A 136 ? 0.7592 0.9754 0.8143 0.3308 0.1900 0.2929 167 GLN A C 1059 O O . GLN A 136 ? 0.6911 0.9696 0.7921 0.2837 0.1515 0.2796 167 GLN A O 1060 C CB . GLN A 136 ? 0.7810 1.1576 0.9055 0.4194 0.2385 0.4053 167 GLN A CB 1061 C CG . GLN A 136 ? 0.8380 1.2569 0.9660 0.4954 0.2863 0.4748 167 GLN A CG 1062 C CD . GLN A 136 ? 0.7749 1.3776 1.0063 0.4943 0.2718 0.5405 167 GLN A CD 1063 O OE1 . GLN A 136 ? 0.6972 1.3841 0.9859 0.4322 0.2209 0.5321 167 GLN A OE1 1064 N NE2 . GLN A 136 ? 0.8133 1.4762 1.0628 0.5632 0.3170 0.6103 167 GLN A NE2 1065 N N . SER A 137 ? 0.7958 0.9135 0.7943 0.3286 0.1990 0.2608 168 SER A N 1066 C CA . SER A 137 ? 0.7447 0.8520 0.7532 0.2730 0.1643 0.2157 168 SER A CA 1067 C C . SER A 137 ? 0.6827 0.8949 0.7580 0.2607 0.1507 0.2315 168 SER A C 1068 O O . SER A 137 ? 0.6900 0.9428 0.7800 0.2999 0.1762 0.2693 168 SER A O 1069 C CB . SER A 137 ? 0.8099 0.7867 0.7377 0.2709 0.1747 0.1815 168 SER A CB 1070 O OG . SER A 137 ? 0.8681 0.8216 0.7682 0.3116 0.2055 0.1986 168 SER A OG 1071 N N . VAL A 138 ? 0.6213 0.8762 0.7337 0.2074 0.1117 0.2065 169 VAL A N 1072 C CA . VAL A 138 ? 0.5669 0.8999 0.7294 0.1819 0.0919 0.2124 169 VAL A CA 1073 C C . VAL A 138 ? 0.5304 0.8202 0.6791 0.1362 0.0663 0.1637 169 VAL A C 1074 O O . VAL A 138 ? 0.5401 0.7621 0.6537 0.1230 0.0612 0.1331 169 VAL A O 1075 C CB . VAL A 138 ? 0.5285 0.9735 0.7496 0.1605 0.0665 0.2441 169 VAL A CB 1076 C CG1 . VAL A 138 ? 0.5397 1.0683 0.7983 0.2031 0.0895 0.3072 169 VAL A CG1 1077 C CG2 . VAL A 138 ? 0.5171 0.9466 0.7259 0.1406 0.0485 0.2282 169 VAL A CG2 1078 N N . ALA A 139 ? 0.4969 0.8303 0.6747 0.1131 0.0513 0.1620 170 ALA A N 1079 C CA . ALA A 139 ? 0.4667 0.7670 0.6332 0.0739 0.0297 0.1217 170 ALA A CA 1080 C C . ALA A 139 ? 0.4378 0.7577 0.6112 0.0382 0.0013 0.1097 170 ALA A C 1081 O O . ALA A 139 ? 0.4238 0.8068 0.6234 0.0184 -0.0177 0.1287 170 ALA A O 1082 C CB . ALA A 139 ? 0.4488 0.7816 0.6372 0.0633 0.0257 0.1258 170 ALA A CB 1083 N N . VAL A 140 ? 0.4415 0.7045 0.5857 0.0290 -0.0018 0.0813 171 VAL A N 1084 C CA . VAL A 140 ? 0.4348 0.7012 0.5731 0.0025 -0.0222 0.0687 171 VAL A CA 1085 C C . VAL A 140 ? 0.4300 0.6767 0.5564 -0.0235 -0.0345 0.0439 171 VAL A C 1086 O O . VAL A 140 ? 0.4524 0.6939 0.5625 -0.0426 -0.0484 0.0348 171 VAL A O 1087 C CB . VAL A 140 ? 0.4441 0.6691 0.5613 0.0098 -0.0161 0.0597 171 VAL A CB 1088 C CG1 . VAL A 140 ? 0.4642 0.7037 0.5863 0.0362 -0.0034 0.0856 171 VAL A CG1 1089 C CG2 . VAL A 140 ? 0.4525 0.6176 0.5480 0.0102 -0.0071 0.0396 171 VAL A CG2 1090 N N . ALA A 141 ? 0.4231 0.6517 0.5497 -0.0207 -0.0267 0.0340 172 ALA A N 1091 C CA . ALA A 141 ? 0.4178 0.6269 0.5328 -0.0402 -0.0343 0.0134 172 ALA A CA 1092 C C . ALA A 141 ? 0.4161 0.6237 0.5394 -0.0350 -0.0262 0.0119 172 ALA A C 1093 O O . ALA A 141 ? 0.4236 0.6206 0.5476 -0.0124 -0.0104 0.0192 172 ALA A O 1094 C CB . ALA A 141 ? 0.4198 0.5879 0.5149 -0.0415 -0.0312 -0.0041 172 ALA A CB 1095 N N . ARG A 142 ? 0.4043 0.6123 0.5243 -0.0538 -0.0349 0.0024 173 ARG A N 1096 C CA . ARG A 142 ? 0.3952 0.6070 0.5246 -0.0504 -0.0281 0.0031 173 ARG A CA 1097 C C . ARG A 142 ? 0.3926 0.5766 0.5040 -0.0662 -0.0325 -0.0169 173 ARG A C 1098 O O . ARG A 142 ? 0.4006 0.5692 0.4909 -0.0820 -0.0418 -0.0256 173 ARG A O 1099 C CB . ARG A 142 ? 0.4012 0.6708 0.5609 -0.0526 -0.0317 0.0321 173 ARG A CB 1100 C CG . ARG A 142 ? 0.4077 0.6968 0.5712 -0.0832 -0.0480 0.0357 173 ARG A CG 1101 C CD . ARG A 142 ? 0.4061 0.7672 0.6111 -0.0831 -0.0498 0.0751 173 ARG A CD 1102 N NE . ARG A 142 ? 0.4122 0.7896 0.6266 -0.1051 -0.0574 0.0821 173 ARG A NE 1103 C CZ . ARG A 142 ? 0.4106 0.8510 0.6665 -0.0983 -0.0513 0.1185 173 ARG A CZ 1104 N NH1 . ARG A 142 ? 0.4066 0.8988 0.6958 -0.0645 -0.0341 0.1528 173 ARG A NH1 1105 N NH2 . ARG A 142 ? 0.4164 0.8685 0.6794 -0.1223 -0.0595 0.1248 173 ARG A NH2 1106 N N . CYS A 143 ? 0.3934 0.5639 0.5056 -0.0575 -0.0226 -0.0230 174 CYS A N 1107 C CA . CYS A 143 ? 0.3896 0.5358 0.4870 -0.0662 -0.0226 -0.0386 174 CYS A CA 1108 C C . CYS A 143 ? 0.3940 0.5515 0.5027 -0.0637 -0.0171 -0.0335 174 CYS A C 1109 O O . CYS A 143 ? 0.4064 0.5706 0.5242 -0.0449 -0.0061 -0.0240 174 CYS A O 1110 C CB . CYS A 143 ? 0.3868 0.5046 0.4723 -0.0576 -0.0168 -0.0492 174 CYS A CB 1111 S SG . CYS A 143 ? 0.3858 0.4859 0.4562 -0.0641 -0.0155 -0.0600 174 CYS A SG 1112 N N . VAL A 144 ? 0.3965 0.5484 0.4972 -0.0794 -0.0217 -0.0384 175 VAL A N 1113 C CA . VAL A 144 ? 0.3962 0.5626 0.5103 -0.0788 -0.0165 -0.0307 175 VAL A CA 1114 C C . VAL A 144 ? 0.4037 0.5371 0.4975 -0.0803 -0.0114 -0.0468 175 VAL A C 1115 O O . VAL A 144 ? 0.4204 0.5276 0.4890 -0.0922 -0.0154 -0.0564 175 VAL A O 1116 C CB . VAL A 144 ? 0.4053 0.6104 0.5364 -0.1014 -0.0293 -0.0094 175 VAL A CB 1117 C CG1 . VAL A 144 ? 0.4371 0.6108 0.5332 -0.1318 -0.0452 -0.0196 175 VAL A CG1 1118 C CG2 . VAL A 144 ? 0.4065 0.6391 0.5609 -0.0982 -0.0217 0.0069 175 VAL A CG2 1119 N N . SER A 145 ? 0.3990 0.5284 0.4968 -0.0642 -0.0001 -0.0482 176 SER A N 1120 C CA . SER A 145 ? 0.3953 0.5026 0.4787 -0.0633 0.0053 -0.0586 176 SER A CA 1121 C C . SER A 145 ? 0.3928 0.5147 0.4881 -0.0624 0.0118 -0.0487 176 SER A C 1122 O O . SER A 145 ? 0.3921 0.5180 0.4919 -0.0436 0.0225 -0.0430 176 SER A O 1123 C CB . SER A 145 ? 0.3950 0.4830 0.4661 -0.0503 0.0093 -0.0668 176 SER A CB 1124 O OG . SER A 145 ? 0.4019 0.4780 0.4623 -0.0497 0.0131 -0.0722 176 SER A OG 1125 N N . THR A 146 ? 0.3976 0.5191 0.4894 -0.0827 0.0061 -0.0455 177 THR A N 1126 C CA . THR A 146 ? 0.4025 0.5499 0.5136 -0.0898 0.0082 -0.0279 177 THR A CA 1127 C C . THR A 146 ? 0.4068 0.5289 0.5021 -0.0882 0.0171 -0.0354 177 THR A C 1128 O O . THR A 146 ? 0.4190 0.5018 0.4833 -0.0927 0.0174 -0.0504 177 THR A O 1129 C CB . THR A 146 ? 0.4217 0.5874 0.5374 -0.1241 -0.0098 -0.0123 177 THR A CB 1130 O OG1 . THR A 146 ? 0.4640 0.5798 0.5382 -0.1466 -0.0156 -0.0248 177 THR A OG1 1131 C CG2 . THR A 146 ? 0.4167 0.5932 0.5333 -0.1301 -0.0220 -0.0108 177 THR A CG2 1132 N N . GLY A 147 ? 0.3969 0.5426 0.5122 -0.0773 0.0275 -0.0212 178 GLY A N 1133 C CA . GLY A 147 ? 0.4058 0.5335 0.5098 -0.0752 0.0368 -0.0241 178 GLY A CA 1134 C C . GLY A 147 ? 0.4047 0.4992 0.4838 -0.0551 0.0457 -0.0437 178 GLY A C 1135 O O . GLY A 147 ? 0.4197 0.4912 0.4812 -0.0567 0.0509 -0.0491 178 GLY A O 1136 N N . GLY A 148 ? 0.3935 0.4846 0.4681 -0.0383 0.0464 -0.0508 179 GLY A N 1137 C CA . GLY A 148 ? 0.3903 0.4581 0.4423 -0.0276 0.0480 -0.0632 179 GLY A CA 1138 C C . GLY A 148 ? 0.4032 0.4625 0.4428 -0.0100 0.0578 -0.0610 179 GLY A C 1139 O O . GLY A 148 ? 0.4197 0.4836 0.4612 0.0041 0.0666 -0.0516 179 GLY A O 1140 N N . ARG A 149 ? 0.4039 0.4499 0.4265 -0.0072 0.0585 -0.0663 180 ARG A N 1141 C CA . ARG A 149 ? 0.4247 0.4536 0.4229 0.0074 0.0646 -0.0661 180 ARG A CA 1142 C C . ARG A 149 ? 0.4383 0.4561 0.4136 0.0021 0.0529 -0.0710 180 ARG A C 1143 O O . ARG A 149 ? 0.4243 0.4566 0.4089 -0.0010 0.0534 -0.0675 180 ARG A O 1144 C CB . ARG A 149 ? 0.4243 0.4617 0.4315 0.0153 0.0793 -0.0574 180 ARG A CB 1145 C CG . ARG A 149 ? 0.4572 0.4738 0.4346 0.0354 0.0893 -0.0552 180 ARG A CG 1146 C CD . ARG A 149 ? 0.4590 0.4902 0.4509 0.0445 0.1060 -0.0425 180 ARG A CD 1147 N NE . ARG A 149 ? 0.4923 0.5030 0.4540 0.0708 0.1212 -0.0360 180 ARG A NE 1148 C CZ . ARG A 149 ? 0.5268 0.5054 0.4455 0.0800 0.1212 -0.0431 180 ARG A CZ 1149 N NH1 . ARG A 149 ? 0.5215 0.4985 0.4330 0.0647 0.1060 -0.0524 180 ARG A NH1 1150 N NH2 . ARG A 149 ? 0.5771 0.5257 0.4564 0.1067 0.1376 -0.0370 180 ARG A NH2 1151 N N . PRO A 150 ? 0.4676 0.4579 0.4084 0.0000 0.0422 -0.0752 181 PRO A N 1152 C CA . PRO A 150 ? 0.5023 0.4585 0.4151 0.0101 0.0465 -0.0780 181 PRO A CA 1153 C C . PRO A 150 ? 0.4904 0.4600 0.4275 0.0048 0.0436 -0.0779 181 PRO A C 1154 O O . PRO A 150 ? 0.4532 0.4543 0.4240 -0.0086 0.0366 -0.0775 181 PRO A O 1155 C CB . PRO A 150 ? 0.5553 0.4634 0.4083 0.0005 0.0306 -0.0835 181 PRO A CB 1156 C CG . PRO A 150 ? 0.5316 0.4725 0.4042 -0.0231 0.0106 -0.0790 181 PRO A CG 1157 C CD . PRO A 150 ? 0.4818 0.4709 0.4039 -0.0154 0.0232 -0.0730 181 PRO A CD 1158 N N . PRO A 151 ? 0.5286 0.4705 0.4430 0.0194 0.0520 -0.0761 182 PRO A N 1159 C CA . PRO A 151 ? 0.5104 0.4687 0.4486 0.0151 0.0489 -0.0737 182 PRO A CA 1160 C C . PRO A 151 ? 0.5053 0.4645 0.4448 -0.0097 0.0275 -0.0809 182 PRO A C 1161 O O . PRO A 151 ? 0.5342 0.4609 0.4357 -0.0224 0.0134 -0.0853 182 PRO A O 1162 C CB . PRO A 151 ? 0.5687 0.4795 0.4620 0.0386 0.0624 -0.0696 182 PRO A CB 1163 C CG . PRO A 151 ? 0.6085 0.4911 0.4672 0.0626 0.0805 -0.0650 182 PRO A CG 1164 C CD . PRO A 151 ? 0.5967 0.4836 0.4535 0.0437 0.0667 -0.0745 182 PRO A CD 1165 N N . ALA A 152 ? 0.4706 0.4672 0.4507 -0.0184 0.0239 -0.0786 183 ALA A N 1166 C CA . ALA A 152 ? 0.4644 0.4681 0.4501 -0.0358 0.0087 -0.0798 183 ALA A CA 1167 C C . ALA A 152 ? 0.5024 0.4701 0.4578 -0.0389 0.0017 -0.0813 183 ALA A C 1168 O O . ALA A 152 ? 0.5342 0.4697 0.4637 -0.0221 0.0129 -0.0812 183 ALA A O 1169 C CB . ALA A 152 ? 0.4328 0.4713 0.4547 -0.0395 0.0103 -0.0772 183 ALA A CB 1170 N N . ARG A 153 ? 0.5096 0.4813 0.4653 -0.0586 -0.0146 -0.0786 184 ARG A N 1171 C CA . ARG A 153 ? 0.5563 0.4903 0.4816 -0.0672 -0.0233 -0.0788 184 ARG A CA 1172 C C . ARG A 153 ? 0.5097 0.4789 0.4719 -0.0726 -0.0264 -0.0732 184 ARG A C 1173 O O . ARG A 153 ? 0.4744 0.4833 0.4657 -0.0832 -0.0333 -0.0651 184 ARG A O 1174 C CB . ARG A 153 ? 0.6192 0.5190 0.5017 -0.0938 -0.0451 -0.0760 184 ARG A CB 1175 C CG . ARG A 153 ? 0.6886 0.5404 0.5323 -0.1102 -0.0573 -0.0749 184 ARG A CG 1176 C CD . ARG A 153 ? 0.7887 0.5806 0.5649 -0.1420 -0.0817 -0.0731 184 ARG A CD 1177 N NE . ARG A 153 ? 0.8783 0.6170 0.6130 -0.1621 -0.0942 -0.0708 184 ARG A NE 1178 C CZ . ARG A 153 ? 0.9573 0.6227 0.6401 -0.1413 -0.0777 -0.0806 184 ARG A CZ 1179 N NH1 . ARG A 153 ? 0.9711 0.6160 0.6419 -0.0978 -0.0471 -0.0891 184 ARG A NH1 1180 N NH2 . ARG A 153 ? 1.0151 0.6289 0.6574 -0.1629 -0.0903 -0.0769 184 ARG A NH2 1181 N N . ILE A 154 ? 0.5092 0.4629 0.4665 -0.0608 -0.0184 -0.0741 185 ILE A N 1182 C CA . ILE A 154 ? 0.4732 0.4541 0.4586 -0.0636 -0.0205 -0.0691 185 ILE A CA 1183 C C . ILE A 154 ? 0.5087 0.4504 0.4634 -0.0742 -0.0292 -0.0662 185 ILE A C 1184 O O . ILE A 154 ? 0.5558 0.4432 0.4671 -0.0632 -0.0219 -0.0689 185 ILE A O 1185 C CB . ILE A 154 ? 0.4545 0.4578 0.4627 -0.0448 -0.0069 -0.0670 185 ILE A CB 1186 C CG1 . ILE A 154 ? 0.4198 0.4593 0.4558 -0.0432 -0.0025 -0.0677 185 ILE A CG1 1187 C CG2 . ILE A 154 ? 0.4388 0.4601 0.4641 -0.0483 -0.0109 -0.0617 185 ILE A CG2 1188 C CD1 . ILE A 154 ? 0.4094 0.4747 0.4658 -0.0326 0.0058 -0.0592 185 ILE A CD1 1189 N N . THR A 155 ? 0.4907 0.4570 0.4643 -0.0930 -0.0421 -0.0575 186 THR A N 1190 C CA . THR A 155 ? 0.5228 0.4601 0.4754 -0.1071 -0.0515 -0.0512 186 THR A CA 1191 C C . THR A 155 ? 0.4708 0.4552 0.4656 -0.1020 -0.0479 -0.0432 186 THR A C 1192 O O . THR A 155 ? 0.4219 0.4509 0.4506 -0.0918 -0.0408 -0.0429 186 THR A O 1193 C CB . THR A 155 ? 0.5622 0.4863 0.4940 -0.1418 -0.0748 -0.0408 186 THR A CB 1194 O OG1 . THR A 155 ? 0.5234 0.5180 0.5042 -0.1482 -0.0793 -0.0266 186 THR A OG1 1195 C CG2 . THR A 155 ? 0.6335 0.4980 0.5086 -0.1478 -0.0798 -0.0507 186 THR A CG2 1196 N N . TRP A 156 ? 0.4939 0.4581 0.4768 -0.1080 -0.0515 -0.0370 187 TRP A N 1197 C CA . TRP A 156 ? 0.4608 0.4654 0.4778 -0.1030 -0.0482 -0.0279 187 TRP A CA 1198 C C . TRP A 156 ? 0.4695 0.4796 0.4893 -0.1269 -0.0619 -0.0096 187 TRP A C 1199 O O . TRP A 156 ? 0.5233 0.4850 0.5057 -0.1491 -0.0749 -0.0062 187 TRP A O 1200 C CB . TRP A 156 ? 0.4722 0.4625 0.4830 -0.0821 -0.0362 -0.0319 187 TRP A CB 1201 C CG . TRP A 156 ? 0.4558 0.4615 0.4770 -0.0602 -0.0237 -0.0392 187 TRP A CG 1202 C CD1 . TRP A 156 ? 0.4837 0.4623 0.4835 -0.0459 -0.0142 -0.0437 187 TRP A CD1 1203 C CD2 . TRP A 156 ? 0.4215 0.4729 0.4731 -0.0518 -0.0202 -0.0380 187 TRP A CD2 1204 N NE1 . TRP A 156 ? 0.4582 0.4761 0.4850 -0.0311 -0.0059 -0.0409 187 TRP A NE1 1205 C CE2 . TRP A 156 ? 0.4238 0.4825 0.4788 -0.0383 -0.0121 -0.0386 187 TRP A CE2 1206 C CE3 . TRP A 156 ? 0.4036 0.4838 0.4714 -0.0551 -0.0230 -0.0345 187 TRP A CE3 1207 C CZ2 . TRP A 156 ? 0.4041 0.5019 0.4814 -0.0374 -0.0130 -0.0345 187 TRP A CZ2 1208 C CZ3 . TRP A 156 ? 0.3945 0.4983 0.4710 -0.0517 -0.0226 -0.0354 187 TRP A CZ3 1209 C CH2 . TRP A 156 ? 0.3936 0.5080 0.4764 -0.0473 -0.0205 -0.0348 187 TRP A CH2 1210 N N . ILE A 157 ? 0.4282 0.4919 0.4858 -0.1228 -0.0585 0.0046 188 ILE A N 1211 C CA . ILE A 157 ? 0.4365 0.5215 0.5082 -0.1408 -0.0676 0.0296 188 ILE A CA 1212 C C . ILE A 157 ? 0.4297 0.5127 0.5049 -0.1253 -0.0577 0.0296 188 ILE A C 1213 O O . ILE A 157 ? 0.4031 0.5171 0.4967 -0.1038 -0.0448 0.0293 188 ILE A O 1214 C CB . ILE A 157 ? 0.4047 0.5571 0.5160 -0.1386 -0.0644 0.0546 188 ILE A CB 1215 C CG1 . ILE A 157 ? 0.4053 0.5711 0.5187 -0.1479 -0.0713 0.0570 188 ILE A CG1 1216 C CG2 . ILE A 157 ? 0.4223 0.6061 0.5536 -0.1603 -0.0751 0.0891 188 ILE A CG2 1217 C CD1 . ILE A 157 ? 0.3715 0.6038 0.5212 -0.1334 -0.0599 0.0840 188 ILE A CD1 1218 N N . SER A 158 ? 0.4682 0.5066 0.5167 -0.1364 -0.0636 0.0303 189 SER A N 1219 C CA . SER A 158 ? 0.4661 0.5001 0.5151 -0.1196 -0.0535 0.0309 189 SER A CA 1220 C C . SER A 158 ? 0.5065 0.5156 0.5415 -0.1412 -0.0628 0.0487 189 SER A C 1221 O O . SER A 158 ? 0.5563 0.5103 0.5521 -0.1679 -0.0765 0.0499 189 SER A O 1222 C CB . SER A 158 ? 0.4831 0.4797 0.5071 -0.0969 -0.0424 0.0118 189 SER A CB 1223 O OG . SER A 158 ? 0.4880 0.4845 0.5127 -0.0802 -0.0334 0.0166 189 SER A OG 1224 N N . SER A 159 ? 0.4896 0.5310 0.5479 -0.1300 -0.0552 0.0622 190 SER A N 1225 C CA . SER A 159 ? 0.5223 0.5455 0.5721 -0.1467 -0.0608 0.0814 190 SER A CA 1226 C C . SER A 159 ? 0.5573 0.5201 0.5683 -0.1303 -0.0512 0.0689 190 SER A C 1227 O O . SER A 159 ? 0.6054 0.5277 0.5915 -0.1443 -0.0548 0.0806 190 SER A O 1228 C CB . SER A 159 ? 0.4929 0.5816 0.5853 -0.1371 -0.0533 0.1059 190 SER A CB 1229 O OG . SER A 159 ? 0.4530 0.5725 0.5587 -0.1022 -0.0366 0.0941 190 SER A OG 1230 N N . LEU A 160 ? 0.5453 0.5040 0.5508 -0.1004 -0.0381 0.0496 191 LEU A N 1231 C CA . LEU A 160 ? 0.5865 0.4998 0.5599 -0.0771 -0.0246 0.0451 191 LEU A CA 1232 C C . LEU A 160 ? 0.6596 0.4875 0.5720 -0.0829 -0.0242 0.0359 191 LEU A C 1233 O O . LEU A 160 ? 0.6755 0.4863 0.5744 -0.1060 -0.0370 0.0295 191 LEU A O 1234 C CB . LEU A 160 ? 0.5439 0.5039 0.5433 -0.0458 -0.0130 0.0380 191 LEU A CB 1235 C CG . LEU A 160 ? 0.4962 0.5217 0.5355 -0.0444 -0.0157 0.0440 191 LEU A CG 1236 C CD1 . LEU A 160 ? 0.4566 0.5230 0.5143 -0.0341 -0.0154 0.0331 191 LEU A CD1 1237 C CD2 . LEU A 160 ? 0.5026 0.5342 0.5425 -0.0313 -0.0092 0.0576 191 LEU A CD2 1238 N N . GLY A 161 ? 0.7213 0.4898 0.5892 -0.0596 -0.0078 0.0371 192 GLY A N 1239 C CA . GLY A 161 ? 0.8275 0.4919 0.6158 -0.0611 -0.0031 0.0296 192 GLY A CA 1240 C C . GLY A 161 ? 0.8404 0.5009 0.6182 -0.0224 0.0176 0.0218 192 GLY A C 1241 O O . GLY A 161 ? 0.9271 0.5172 0.6466 0.0093 0.0408 0.0260 192 GLY A O 1242 N N . GLY A 162 ? 0.7761 0.5097 0.6069 -0.0225 0.0118 0.0140 193 GLY A N 1243 C CA . GLY A 162 ? 0.7707 0.5251 0.6096 0.0133 0.0306 0.0132 193 GLY A CA 1244 C C . GLY A 162 ? 0.8281 0.5193 0.6150 0.0127 0.0337 0.0014 193 GLY A C 1245 O O . GLY A 162 ? 0.8581 0.5081 0.6155 -0.0230 0.0141 -0.0092 193 GLY A O 1246 N N . GLU A 163 ? 0.8610 0.5446 0.6335 0.0535 0.0590 0.0080 194 GLU A N 1247 C CA . GLU A 163 ? 0.9030 0.5473 0.6389 0.0600 0.0652 -0.0015 194 GLU A CA 1248 C C . GLU A 163 ? 0.8048 0.5516 0.6179 0.0637 0.0621 -0.0009 194 GLU A C 1249 O O . GLU A 163 ? 0.7542 0.5762 0.6201 0.0876 0.0732 0.0165 194 GLU A O 1250 C CB . GLU A 163 ? 1.0202 0.5736 0.6742 0.1078 0.1008 0.0093 194 GLU A CB 1251 C CG . GLU A 163 ? 1.0135 0.6290 0.7070 0.1604 0.1315 0.0389 194 GLU A CG 1252 C CD . GLU A 163 ? 1.1471 0.6654 0.7511 0.2160 0.1736 0.0564 194 GLU A CD 1253 O OE1 . GLU A 163 ? 1.1741 0.7228 0.7880 0.2595 0.2013 0.0763 194 GLU A OE1 1254 O OE2 . GLU A 163 ? 1.2489 0.6578 0.7691 0.2177 0.1809 0.0534 194 GLU A OE2 1255 N N . ALA A 164 ? 0.7823 0.5300 0.5982 0.0353 0.0442 -0.0175 195 ALA A N 1256 C CA . ALA A 164 ? 0.7073 0.5245 0.5749 0.0361 0.0420 -0.0199 195 ALA A CA 1257 C C . ALA A 164 ? 0.7598 0.5313 0.5828 0.0671 0.0647 -0.0164 195 ALA A C 1258 O O . ALA A 164 ? 0.8271 0.5091 0.5765 0.0621 0.0650 -0.0276 195 ALA A O 1259 C CB . ALA A 164 ? 0.6684 0.4998 0.5513 -0.0029 0.0167 -0.0356 195 ALA A CB 1260 N N . LYS A 165 ? 0.7434 0.5756 0.6069 0.0982 0.0833 0.0030 196 LYS A N 1261 C CA . LYS A 165 ? 0.7999 0.6051 0.6312 0.1350 0.1102 0.0141 196 LYS A CA 1262 C C . LYS A 165 ? 0.7188 0.6180 0.6221 0.1291 0.1049 0.0212 196 LYS A C 1263 O O . LYS A 165 ? 0.6623 0.6522 0.6342 0.1260 0.0995 0.0391 196 LYS A O 1264 C CB . LYS A 165 ? 0.8703 0.6553 0.6738 0.1883 0.1464 0.0445 196 LYS A CB 1265 C CG . LYS A 165 ? 0.8117 0.7038 0.6945 0.1996 0.1486 0.0744 196 LYS A CG 1266 C CD . LYS A 165 ? 0.8907 0.7527 0.7370 0.2536 0.1852 0.1065 196 LYS A CD 1267 C CE . LYS A 165 ? 0.8377 0.8120 0.7634 0.2603 0.1828 0.1398 196 LYS A CE 1268 N NZ . LYS A 165 ? 0.7709 0.7800 0.7362 0.2090 0.1444 0.1171 196 LYS A NZ 1269 N N . ASP A 166 ? 0.7203 0.5936 0.6028 0.1221 0.1029 0.0072 197 ASP A N 1270 C CA . ASP A 166 ? 0.6494 0.5999 0.5928 0.1102 0.0952 0.0106 197 ASP A CA 1271 C C . ASP A 166 ? 0.6733 0.6162 0.5995 0.1457 0.1223 0.0274 197 ASP A C 1272 O O . ASP A 166 ? 0.7532 0.6116 0.6046 0.1758 0.1444 0.0275 197 ASP A O 1273 C CB . ASP A 166 ? 0.6107 0.5636 0.5655 0.0672 0.0668 -0.0170 197 ASP A CB 1274 C CG . ASP A 166 ? 0.6632 0.5318 0.5531 0.0518 0.0570 -0.0383 197 ASP A CG 1275 O OD1 . ASP A 166 ? 0.7041 0.5358 0.5682 0.0411 0.0490 -0.0425 197 ASP A OD1 1276 O OD2 . ASP A 166 ? 0.6819 0.5262 0.5490 0.0447 0.0536 -0.0489 197 ASP A OD2 1277 N N . THR A 167 ? 0.6115 0.6385 0.6015 0.1414 0.1206 0.0439 198 THR A N 1278 C CA . THR A 167 ? 0.6237 0.6715 0.6181 0.1759 0.1475 0.0704 198 THR A CA 1279 C C . THR A 167 ? 0.5704 0.6554 0.5994 0.1475 0.1319 0.0603 198 THR A C 1280 O O . THR A 167 ? 0.5121 0.6234 0.5721 0.1057 0.1033 0.0416 198 THR A O 1281 C CB . THR A 167 ? 0.6059 0.7413 0.6558 0.2029 0.1646 0.1192 198 THR A CB 1282 O OG1 . THR A 167 ? 0.5268 0.7571 0.6536 0.1617 0.1361 0.1279 198 THR A OG1 1283 C CG2 . THR A 167 ? 0.6460 0.7540 0.6706 0.2253 0.1755 0.1285 198 THR A CG2 1284 N N . GLN A 168 ? 0.5997 0.6783 0.6150 0.1743 0.1542 0.0737 199 GLN A N 1285 C CA . GLN A 168 ? 0.5686 0.6701 0.6066 0.1518 0.1434 0.0643 199 GLN A CA 1286 C C . GLN A 168 ? 0.5502 0.7355 0.6443 0.1680 0.1597 0.1074 199 GLN A C 1287 O O . GLN A 168 ? 0.5994 0.7930 0.6849 0.2158 0.1933 0.1422 199 GLN A O 1288 C CB . GLN A 168 ? 0.6306 0.6424 0.5949 0.1627 0.1512 0.0391 199 GLN A CB 1289 C CG . GLN A 168 ? 0.6690 0.6014 0.5762 0.1395 0.1309 0.0028 199 GLN A CG 1290 C CD . GLN A 168 ? 0.7616 0.5997 0.5831 0.1484 0.1366 -0.0155 199 GLN A CD 1291 O OE1 . GLN A 168 ? 0.7527 0.5767 0.5657 0.1165 0.1136 -0.0382 199 GLN A OE1 1292 N NE2 . GLN A 168 ? 0.8537 0.6233 0.6043 0.1939 0.1684 -0.0026 199 GLN A NE2 1293 N N . GLU A 169 ? 0.4893 0.7341 0.6366 0.1291 0.1377 0.1091 200 GLU A N 1294 C CA . GLU A 169 ? 0.4756 0.7970 0.6741 0.1344 0.1483 0.1504 200 GLU A CA 1295 C C . GLU A 169 ? 0.4533 0.7565 0.6475 0.1070 0.1360 0.1270 200 GLU A C 1296 O O . GLU A 169 ? 0.4492 0.7061 0.6192 0.0777 0.1144 0.0867 200 GLU A O 1297 C CB . GLU A 169 ? 0.4472 0.8667 0.7156 0.1068 0.1301 0.1871 200 GLU A CB 1298 C CG . GLU A 169 ? 0.4251 0.8390 0.6991 0.0511 0.0905 0.1574 200 GLU A CG 1299 C CD . GLU A 169 ? 0.4206 0.9162 0.7448 0.0281 0.0721 0.1938 200 GLU A CD 1300 O OE1 . GLU A 169 ? 0.4158 0.9619 0.7736 -0.0176 0.0469 0.2112 200 GLU A OE1 1301 O OE2 . GLU A 169 ? 0.4286 0.9345 0.7534 0.0534 0.0817 0.2070 200 GLU A OE2 1302 N N . PRO A 170 ? 0.4509 0.7894 0.6662 0.1210 0.1529 0.1549 201 PRO A N 1303 C CA . PRO A 170 ? 0.4298 0.7516 0.6420 0.0926 0.1403 0.1337 201 PRO A CA 1304 C C . PRO A 170 ? 0.3899 0.7515 0.6405 0.0365 0.1073 0.1336 201 PRO A C 1305 O O . PRO A 170 ? 0.3793 0.8041 0.6719 0.0193 0.0957 0.1638 201 PRO A O 1306 C CB . PRO A 170 ? 0.4510 0.8095 0.6813 0.1226 0.1681 0.1715 201 PRO A CB 1307 C CG . PRO A 170 ? 0.5031 0.8493 0.7076 0.1819 0.2032 0.1947 201 PRO A CG 1308 C CD . PRO A 170 ? 0.4902 0.8610 0.7132 0.1740 0.1912 0.2011 201 PRO A CD 1309 N N . GLY A 171 ? 0.3758 0.6935 0.6032 0.0089 0.0925 0.1005 202 GLY A N 1310 C CA . GLY A 171 ? 0.3642 0.6905 0.6028 -0.0418 0.0647 0.0961 202 GLY A CA 1311 C C . GLY A 171 ? 0.3685 0.7460 0.6430 -0.0637 0.0624 0.1318 202 GLY A C 1312 O O . GLY A 171 ? 0.3657 0.7809 0.6640 -0.0349 0.0852 0.1618 202 GLY A O 1313 N N . ILE A 172 ? 0.3822 0.7550 0.6533 -0.1157 0.0350 0.1307 203 ILE A N 1314 C CA . ILE A 172 ? 0.3982 0.8112 0.6958 -0.1524 0.0243 0.1653 203 ILE A CA 1315 C C . ILE A 172 ? 0.4090 0.7879 0.6899 -0.1369 0.0434 0.1549 203 ILE A C 1316 O O . ILE A 172 ? 0.4118 0.8399 0.7274 -0.1400 0.0512 0.1920 203 ILE A O 1317 C CB . ILE A 172 ? 0.4296 0.8142 0.6998 -0.2173 -0.0128 0.1598 203 ILE A CB 1318 C CG1 . ILE A 172 ? 0.4609 0.8880 0.7555 -0.2670 -0.0308 0.2023 203 ILE A CG1 1319 C CG2 . ILE A 172 ? 0.4529 0.7315 0.6511 -0.2212 -0.0137 0.1077 203 ILE A CG2 1320 C CD1 . ILE A 172 ? 0.5146 0.9083 0.7704 -0.3379 -0.0720 0.2032 203 ILE A CD1 1321 N N . GLN A 173 ? 0.4127 0.7153 0.6441 -0.1185 0.0516 0.1093 204 GLN A N 1322 C CA . GLN A 173 ? 0.4238 0.6926 0.6354 -0.1016 0.0692 0.0981 204 GLN A CA 1323 C C . GLN A 173 ? 0.4039 0.6832 0.6202 -0.0484 0.0972 0.1007 204 GLN A C 1324 O O . GLN A 173 ? 0.3960 0.6557 0.5945 -0.0219 0.1025 0.0826 204 GLN A O 1325 C CB . GLN A 173 ? 0.4461 0.6349 0.6023 -0.1054 0.0656 0.0553 204 GLN A CB 1326 C CG . GLN A 173 ? 0.4946 0.6400 0.6193 -0.1487 0.0509 0.0524 204 GLN A CG 1327 C CD . GLN A 173 ? 0.5216 0.5909 0.5903 -0.1378 0.0577 0.0178 204 GLN A CD 1328 O OE1 . GLN A 173 ? 0.5656 0.5935 0.6049 -0.1431 0.0654 0.0153 204 GLN A OE1 1329 N NE2 . GLN A 173 ? 0.5017 0.5555 0.5565 -0.1199 0.0569 -0.0043 204 GLN A NE2 1330 N N . ALA A 174 ? 0.4117 0.7112 0.6417 -0.0339 0.1150 0.1227 205 ALA A N 1331 C CA . ALA A 174 ? 0.4211 0.7140 0.6376 0.0188 0.1439 0.1248 205 ALA A CA 1332 C C . ALA A 174 ? 0.4247 0.6435 0.5847 0.0336 0.1439 0.0792 205 ALA A C 1333 O O . ALA A 174 ? 0.4246 0.6087 0.5647 0.0136 0.1340 0.0573 205 ALA A O 1334 C CB . ALA A 174 ? 0.4400 0.7632 0.6767 0.0300 0.1632 0.1561 205 ALA A CB 1335 N N . GLY A 175 ? 0.4368 0.6300 0.5669 0.0678 0.1549 0.0689 206 GLY A N 1336 C CA . GLY A 175 ? 0.4489 0.5799 0.5273 0.0731 0.1478 0.0317 206 GLY A CA 1337 C C . GLY A 175 ? 0.4372 0.5541 0.5089 0.0577 0.1287 0.0121 206 GLY A C 1338 O O . GLY A 175 ? 0.4654 0.5399 0.4962 0.0689 0.1260 -0.0068 206 GLY A O 1339 N N . THR A 176 ? 0.4138 0.5625 0.5203 0.0294 0.1140 0.0183 207 THR A N 1340 C CA . THR A 176 ? 0.3994 0.5352 0.4997 0.0138 0.0961 0.0002 207 THR A CA 1341 C C . THR A 176 ? 0.3971 0.5538 0.5098 0.0265 0.0988 0.0139 207 THR A C 1342 O O . THR A 176 ? 0.3979 0.5989 0.5405 0.0381 0.1108 0.0453 207 THR A O 1343 C CB . THR A 176 ? 0.3880 0.5308 0.5019 -0.0230 0.0787 -0.0029 207 THR A CB 1344 O OG1 . THR A 176 ? 0.3844 0.5753 0.5354 -0.0408 0.0738 0.0258 207 THR A OG1 1345 C CG2 . THR A 176 ? 0.3978 0.5135 0.4936 -0.0317 0.0809 -0.0120 207 THR A CG2 1346 N N . VAL A 177 ? 0.3992 0.5286 0.4910 0.0256 0.0891 -0.0048 208 VAL A N 1347 C CA . VAL A 177 ? 0.4104 0.5527 0.5087 0.0388 0.0925 0.0073 208 VAL A CA 1348 C C . VAL A 177 ? 0.3962 0.5409 0.5023 0.0148 0.0721 -0.0049 208 VAL A C 1349 O O . VAL A 177 ? 0.3884 0.5063 0.4781 -0.0027 0.0584 -0.0281 208 VAL A O 1350 C CB . VAL A 177 ? 0.4524 0.5443 0.5007 0.0751 0.1103 0.0041 208 VAL A CB 1351 C CG1 . VAL A 177 ? 0.4808 0.5359 0.4924 0.0900 0.1217 -0.0028 208 VAL A CG1 1352 C CG2 . VAL A 177 ? 0.4661 0.5112 0.4789 0.0667 0.0963 -0.0194 208 VAL A CG2 1353 N N . THR A 178 ? 0.3962 0.5789 0.5287 0.0178 0.0725 0.0163 209 THR A N 1354 C CA . THR A 178 ? 0.3852 0.5780 0.5278 -0.0032 0.0546 0.0111 209 THR A CA 1355 C C . THR A 178 ? 0.4049 0.5754 0.5277 0.0198 0.0619 0.0092 209 THR A C 1356 O O . THR A 178 ? 0.4279 0.6022 0.5462 0.0521 0.0824 0.0294 209 THR A O 1357 C CB . THR A 178 ? 0.3727 0.6295 0.5589 -0.0248 0.0441 0.0406 209 THR A CB 1358 O OG1 . THR A 178 ? 0.3695 0.6300 0.5605 -0.0540 0.0338 0.0400 209 THR A OG1 1359 C CG2 . THR A 178 ? 0.3684 0.6308 0.5566 -0.0444 0.0257 0.0359 209 THR A CG2 1360 N N . ILE A 179 ? 0.4032 0.5451 0.5086 0.0058 0.0479 -0.0125 210 ILE A N 1361 C CA . ILE A 179 ? 0.4312 0.5495 0.5171 0.0201 0.0510 -0.0137 210 ILE A CA 1362 C C . ILE A 179 ? 0.4136 0.5668 0.5263 0.0037 0.0373 -0.0071 210 ILE A C 1363 O O . ILE A 179 ? 0.3945 0.5508 0.5121 -0.0224 0.0208 -0.0196 210 ILE A O 1364 C CB . ILE A 179 ? 0.4574 0.5143 0.4983 0.0158 0.0449 -0.0386 210 ILE A CB 1365 C CG1 . ILE A 179 ? 0.4918 0.5122 0.4993 0.0268 0.0540 -0.0450 210 ILE A CG1 1366 C CG2 . ILE A 179 ? 0.4860 0.5074 0.4980 0.0270 0.0477 -0.0383 210 ILE A CG2 1367 C CD1 . ILE A 179 ? 0.5543 0.5013 0.4976 0.0324 0.0536 -0.0569 210 ILE A CD1 1368 N N . ILE A 180 ? 0.4236 0.6002 0.5480 0.0232 0.0471 0.0157 211 ILE A N 1369 C CA . ILE A 180 ? 0.4086 0.6160 0.5530 0.0123 0.0354 0.0249 211 ILE A CA 1370 C C . ILE A 180 ? 0.4372 0.5995 0.5498 0.0297 0.0422 0.0168 211 ILE A C 1371 O O . ILE A 180 ? 0.4725 0.6146 0.5651 0.0629 0.0636 0.0309 211 ILE A O 1372 C CB . ILE A 180 ? 0.4023 0.6839 0.5903 0.0200 0.0401 0.0660 211 ILE A CB 1373 C CG1 . ILE A 180 ? 0.3883 0.7114 0.6047 -0.0053 0.0297 0.0773 211 ILE A CG1 1374 C CG2 . ILE A 180 ? 0.3882 0.7040 0.5940 0.0085 0.0262 0.0784 211 ILE A CG2 1375 C CD1 . ILE A 180 ? 0.3922 0.8025 0.6592 -0.0033 0.0316 0.1273 211 ILE A CD1 1376 N N . SER A 181 ? 0.4298 0.5722 0.5327 0.0090 0.0262 -0.0029 212 SER A N 1377 C CA . SER A 181 ? 0.4632 0.5633 0.5371 0.0180 0.0291 -0.0089 212 SER A CA 1378 C C . SER A 181 ? 0.4535 0.5837 0.5463 0.0152 0.0227 0.0025 212 SER A C 1379 O O . SER A 181 ? 0.4197 0.5680 0.5255 -0.0080 0.0061 -0.0053 212 SER A O 1380 C CB . SER A 181 ? 0.4696 0.5260 0.5175 -0.0014 0.0173 -0.0328 212 SER A CB 1381 O OG . SER A 181 ? 0.5044 0.5174 0.5216 0.0006 0.0170 -0.0353 212 SER A OG 1382 N N . ARG A 182 ? 0.4845 0.6121 0.5704 0.0430 0.0387 0.0220 213 ARG A N 1383 C CA . ARG A 182 ? 0.4780 0.6370 0.5816 0.0448 0.0348 0.0372 213 ARG A CA 1384 C C . ARG A 182 ? 0.5119 0.6087 0.5757 0.0514 0.0392 0.0263 213 ARG A C 1385 O O . ARG A 182 ? 0.5660 0.6023 0.5851 0.0753 0.0578 0.0277 213 ARG A O 1386 C CB . ARG A 182 ? 0.4903 0.7035 0.6205 0.0738 0.0512 0.0763 213 ARG A CB 1387 C CG . ARG A 182 ? 0.4943 0.7332 0.6386 0.0897 0.0654 0.0940 213 ARG A CG 1388 C CD . ARG A 182 ? 0.4664 0.8049 0.6700 0.0798 0.0562 0.1306 213 ARG A CD 1389 N NE . ARG A 182 ? 0.4855 0.8517 0.7053 0.0972 0.0726 0.1524 213 ARG A NE 1390 C CZ . ARG A 182 ? 0.4701 0.9257 0.7436 0.0837 0.0640 0.1888 213 ARG A CZ 1391 N NH1 . ARG A 182 ? 0.4485 0.9689 0.7578 0.0481 0.0352 0.2058 213 ARG A NH1 1392 N NH2 . ARG A 182 ? 0.4728 0.9521 0.7608 0.1030 0.0825 0.2108 213 ARG A NH2 1393 N N . TYR A 183 ? 0.4886 0.5932 0.5609 0.0298 0.0227 0.0171 214 TYR A N 1394 C CA . TYR A 183 ? 0.5172 0.5719 0.5588 0.0291 0.0232 0.0106 214 TYR A CA 1395 C C . TYR A 183 ? 0.5312 0.6059 0.5804 0.0491 0.0320 0.0323 214 TYR A C 1396 O O . TYR A 183 ? 0.4997 0.6327 0.5831 0.0417 0.0218 0.0426 214 TYR A O 1397 C CB . TYR A 183 ? 0.4885 0.5457 0.5373 -0.0009 0.0043 -0.0054 214 TYR A CB 1398 C CG . TYR A 183 ? 0.5165 0.5267 0.5376 -0.0090 0.0017 -0.0081 214 TYR A CG 1399 C CD1 . TYR A 183 ? 0.5069 0.5329 0.5386 -0.0119 -0.0022 -0.0007 214 TYR A CD1 1400 C CD2 . TYR A 183 ? 0.5577 0.5053 0.5373 -0.0175 0.0010 -0.0158 214 TYR A CD2 1401 C CE1 . TYR A 183 ? 0.5324 0.5193 0.5419 -0.0228 -0.0055 0.0012 214 TYR A CE1 1402 C CE2 . TYR A 183 ? 0.5902 0.4937 0.5414 -0.0341 -0.0065 -0.0141 214 TYR A CE2 1403 C CZ . TYR A 183 ? 0.5770 0.5032 0.5469 -0.0365 -0.0090 -0.0045 214 TYR A CZ 1404 O OH . TYR A 183 ? 0.6138 0.5004 0.5589 -0.0564 -0.0173 0.0013 214 TYR A OH 1405 N N . SER A 184 ? 0.5954 0.6135 0.6034 0.0744 0.0512 0.0402 215 SER A N 1406 C CA . SER A 184 ? 0.6204 0.6549 0.6313 0.1042 0.0672 0.0670 215 SER A CA 1407 C C . SER A 184 ? 0.6689 0.6360 0.6370 0.1033 0.0699 0.0614 215 SER A C 1408 O O . SER A 184 ? 0.7141 0.6001 0.6306 0.0903 0.0681 0.0434 215 SER A O 1409 C CB . SER A 184 ? 0.6710 0.6936 0.6627 0.1489 0.0982 0.0911 215 SER A CB 1410 O OG . SER A 184 ? 0.6323 0.7300 0.6722 0.1482 0.0952 0.1037 215 SER A OG 1411 N N . LEU A 185 ? 0.6618 0.6602 0.6475 0.1133 0.0720 0.0789 216 LEU A N 1412 C CA . LEU A 185 ? 0.7133 0.6433 0.6556 0.1128 0.0763 0.0767 216 LEU A CA 1413 C C . LEU A 185 ? 0.6905 0.6945 0.6736 0.1344 0.0819 0.1046 216 LEU A C 1414 O O . LEU A 185 ? 0.6395 0.7303 0.6757 0.1271 0.0695 0.1130 216 LEU A O 1415 C CB . LEU A 185 ? 0.6733 0.6100 0.6310 0.0710 0.0501 0.0588 216 LEU A CB 1416 C CG . LEU A 185 ? 0.5962 0.6159 0.6099 0.0507 0.0302 0.0549 216 LEU A CG 1417 C CD1 . LEU A 185 ? 0.5783 0.6553 0.6194 0.0657 0.0316 0.0756 216 LEU A CD1 1418 C CD2 . LEU A 185 ? 0.5753 0.5816 0.5886 0.0193 0.0141 0.0416 216 LEU A CD2 1419 N N . VAL A 186 ? 0.7361 0.7045 0.6903 0.1593 0.0995 0.1214 217 VAL A N 1420 C CA . VAL A 186 ? 0.7203 0.7589 0.7086 0.1881 0.1096 0.1562 217 VAL A CA 1421 C C . VAL A 186 ? 0.6580 0.7419 0.6796 0.1544 0.0821 0.1468 217 VAL A C 1422 O O . VAL A 186 ? 0.6672 0.7002 0.6643 0.1367 0.0762 0.1314 217 VAL A O 1423 C CB . VAL A 186 ? 0.8089 0.7431 0.7242 0.2212 0.1401 0.1650 217 VAL A CB 1424 C CG1 . VAL A 186 ? 0.8354 0.6896 0.7103 0.1857 0.1253 0.1388 217 VAL A CG1 1425 C CG2 . VAL A 186 ? 0.8134 0.7959 0.7465 0.2617 0.1598 0.2050 217 VAL A CG2 1426 N N . PRO A 187 ? 0.6014 0.7787 0.6740 0.1439 0.0647 0.1583 218 PRO A N 1427 C CA . PRO A 187 ? 0.5623 0.7775 0.6557 0.1105 0.0373 0.1463 218 PRO A CA 1428 C C . PRO A 187 ? 0.5709 0.7793 0.6552 0.1164 0.0389 0.1554 218 PRO A C 1429 O O . PRO A 187 ? 0.5795 0.8298 0.6765 0.1393 0.0462 0.1856 218 PRO A O 1430 C CB . PRO A 187 ? 0.5390 0.8435 0.6724 0.1017 0.0209 0.1655 218 PRO A CB 1431 C CG . PRO A 187 ? 0.5585 0.8966 0.7074 0.1399 0.0437 0.2027 218 PRO A CG 1432 C CD . PRO A 187 ? 0.5994 0.8492 0.7061 0.1653 0.0720 0.1904 218 PRO A CD # 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 GLN 1 32 ? ? ? A . n A 1 2 ASP 2 33 33 ASP ASP A . n A 1 3 VAL 3 34 34 VAL VAL A . n A 1 4 ARG 4 35 35 ARG ARG A . n A 1 5 VAL 5 36 36 VAL VAL A . n A 1 6 ARG 6 37 37 ARG ARG A . n A 1 7 VAL 7 38 38 VAL VAL A . n A 1 8 LEU 8 39 39 LEU LEU A . n A 1 9 PRO 9 40 40 PRO PRO A . n A 1 10 GLU 10 41 41 GLU GLU A . n A 1 11 VAL 11 42 42 VAL VAL A . n A 1 12 ARG 12 43 43 ARG ARG A . n A 1 13 GLY 13 44 44 GLY GLY A . n A 1 14 ARG 14 45 45 ARG ARG A . n A 1 15 LEU 15 46 46 LEU LEU A . n A 1 16 GLY 16 47 47 GLY GLY A . n A 1 17 GLY 17 48 48 GLY GLY A . n A 1 18 THR 18 49 49 THR THR A . n A 1 19 VAL 19 50 50 VAL VAL A . n A 1 20 GLU 20 51 51 GLU GLU A . n A 1 21 LEU 21 52 52 LEU LEU A . n A 1 22 PRO 22 53 53 PRO PRO A . n A 1 23 CYS 23 54 54 CYS CYS A . n A 1 24 HIS 24 55 55 HIS HIS A . n A 1 25 LEU 25 56 56 LEU LEU A . n A 1 26 LEU 26 57 57 LEU LEU A . n A 1 27 PRO 27 58 58 PRO PRO A . n A 1 28 PRO 28 59 59 PRO PRO A . n A 1 29 THR 29 60 60 THR THR A . n A 1 30 THR 30 61 61 THR THR A . n A 1 31 GLU 31 62 62 GLU GLU A . n A 1 32 ARG 32 63 63 ARG ARG A . n A 1 33 VAL 33 64 64 VAL VAL A . n A 1 34 SER 34 65 65 SER SER A . n A 1 35 GLN 35 66 66 GLN GLN A . n A 1 36 VAL 36 67 67 VAL VAL A . n A 1 37 THR 37 68 68 THR THR A . n A 1 38 TRP 38 69 69 TRP TRP A . n A 1 39 GLN 39 70 70 GLN GLN A . n A 1 40 ARG 40 71 71 ARG ARG A . n A 1 41 LEU 41 72 72 LEU LEU A . n A 1 42 ASP 42 73 73 ASP ASP A . n A 1 43 GLY 43 74 74 GLY GLY A . n A 1 44 THR 44 75 75 THR THR A . n A 1 45 VAL 45 76 76 VAL VAL A . n A 1 46 VAL 46 77 77 VAL VAL A . n A 1 47 ALA 47 78 78 ALA ALA A . n A 1 48 ALA 48 79 79 ALA ALA A . n A 1 49 PHE 49 80 80 PHE PHE A . n A 1 50 HIS 50 81 81 HIS HIS A . n A 1 51 PRO 51 82 82 PRO PRO A . n A 1 52 SER 52 83 83 SER SER A . n A 1 53 PHE 53 84 84 PHE PHE A . n A 1 54 GLY 54 85 85 GLY GLY A . n A 1 55 VAL 55 86 86 VAL VAL A . n A 1 56 ASP 56 87 87 ASP ASP A . n A 1 57 PHE 57 88 88 PHE PHE A . n A 1 58 PRO 58 89 89 PRO PRO A . n A 1 59 ASN 59 90 90 ASN ASN A . n A 1 60 SER 60 91 91 SER SER A . n A 1 61 GLN 61 92 92 GLN GLN A . n A 1 62 PHE 62 93 93 PHE PHE A . n A 1 63 SER 63 94 94 SER SER A . n A 1 64 LYS 64 95 95 LYS LYS A . n A 1 65 ASP 65 96 96 ASP ASP A . n A 1 66 ARG 66 97 97 ARG ARG A . n A 1 67 LEU 67 98 98 LEU LEU A . n A 1 68 SER 68 99 99 SER SER A . n A 1 69 PHE 69 100 100 PHE PHE A . n A 1 70 VAL 70 101 101 VAL VAL A . n A 1 71 ARG 71 102 102 ARG ARG A . n A 1 72 ALA 72 103 103 ALA ALA A . n A 1 73 ARG 73 104 104 ARG ARG A . n A 1 74 PRO 74 105 105 PRO PRO A . n A 1 75 GLU 75 106 106 GLU GLU A . n A 1 76 THR 76 107 107 THR THR A . n A 1 77 ASN 77 108 108 ASN ASN A . n A 1 78 ALA 78 109 109 ALA ALA A . n A 1 79 ASP 79 110 110 ASP ASP A . n A 1 80 LEU 80 111 111 LEU LEU A . n A 1 81 ARG 81 112 112 ARG ARG A . n A 1 82 ASP 82 113 113 ASP ASP A . n A 1 83 ALA 83 114 114 ALA ALA A . n A 1 84 THR 84 115 115 THR THR A . n A 1 85 LEU 85 116 116 LEU LEU A . n A 1 86 ALA 86 117 117 ALA ALA A . n A 1 87 PHE 87 118 118 PHE PHE A . n A 1 88 ARG 88 119 119 ARG ARG A . n A 1 89 GLY 89 120 120 GLY GLY A . n A 1 90 LEU 90 121 121 LEU LEU A . n A 1 91 ARG 91 122 122 ARG ARG A . n A 1 92 VAL 92 123 123 VAL VAL A . n A 1 93 GLU 93 124 124 GLU GLU A . n A 1 94 ASP 94 125 125 ASP ASP A . n A 1 95 GLU 95 126 126 GLU GLU A . n A 1 96 GLY 96 127 127 GLY GLY A . n A 1 97 ASN 97 128 128 ASN ASN A . n A 1 98 TYR 98 129 129 TYR TYR A . n A 1 99 THR 99 130 130 THR THR A . n A 1 100 CYS 100 131 131 CYS CYS A . n A 1 101 GLU 101 132 132 GLU GLU A . n A 1 102 PHE 102 133 133 PHE PHE A . n A 1 103 ALA 103 134 134 ALA ALA A . n A 1 104 THR 104 135 135 THR THR A . n A 1 105 ASP 105 136 136 ASP ASP A . n A 1 106 PRO 106 137 137 PRO PRO A . n A 1 107 ASN 107 138 138 ASN ASN A . n A 1 108 GLY 108 139 139 GLY GLY A . n A 1 109 THR 109 140 140 THR THR A . n A 1 110 ARG 110 141 141 ARG ARG A . n A 1 111 ARG 111 142 142 ARG ARG A . n A 1 112 GLY 112 143 143 GLY GLY A . n A 1 113 VAL 113 144 144 VAL VAL A . n A 1 114 THR 114 145 145 THR THR A . n A 1 115 TRP 115 146 146 TRP TRP A . n A 1 116 LEU 116 147 147 LEU LEU A . n A 1 117 ARG 117 148 148 ARG ARG A . n A 1 118 VAL 118 149 149 VAL VAL A . n A 1 119 ILE 119 150 150 ILE ILE A . n A 1 120 ALA 120 151 151 ALA ALA A . n A 1 121 GLN 121 152 152 GLN GLN A . n A 1 122 PRO 122 153 153 PRO PRO A . n A 1 123 GLU 123 154 154 GLU GLU A . n A 1 124 ASN 124 155 155 ASN ASN A . n A 1 125 HIS 125 156 156 HIS HIS A . n A 1 126 ALA 126 157 157 ALA ALA A . n A 1 127 GLU 127 158 158 GLU GLU A . n A 1 128 ALA 128 159 159 ALA ALA A . n A 1 129 GLN 129 160 160 GLN GLN A . n A 1 130 GLU 130 161 161 GLU GLU A . n A 1 131 VAL 131 162 162 VAL VAL A . n A 1 132 THR 132 163 163 THR THR A . n A 1 133 ILE 133 164 164 ILE ILE A . n A 1 134 GLY 134 165 165 GLY GLY A . n A 1 135 PRO 135 166 166 PRO PRO A . n A 1 136 GLN 136 167 167 GLN GLN A . n A 1 137 SER 137 168 168 SER SER A . n A 1 138 VAL 138 169 169 VAL VAL A . n A 1 139 ALA 139 170 170 ALA ALA A . n A 1 140 VAL 140 171 171 VAL VAL A . n A 1 141 ALA 141 172 172 ALA ALA A . n A 1 142 ARG 142 173 173 ARG ARG A . n A 1 143 CYS 143 174 174 CYS CYS A . n A 1 144 VAL 144 175 175 VAL VAL A . n A 1 145 SER 145 176 176 SER SER A . n A 1 146 THR 146 177 177 THR THR A . n A 1 147 GLY 147 178 178 GLY GLY A . n A 1 148 GLY 148 179 179 GLY GLY A . n A 1 149 ARG 149 180 180 ARG ARG A . n A 1 150 PRO 150 181 181 PRO PRO A . n A 1 151 PRO 151 182 182 PRO PRO A . n A 1 152 ALA 152 183 183 ALA ALA A . n A 1 153 ARG 153 184 184 ARG ARG A . n A 1 154 ILE 154 185 185 ILE ILE A . n A 1 155 THR 155 186 186 THR THR A . n A 1 156 TRP 156 187 187 TRP TRP A . n A 1 157 ILE 157 188 188 ILE ILE A . n A 1 158 SER 158 189 189 SER SER A . n A 1 159 SER 159 190 190 SER SER A . n A 1 160 LEU 160 191 191 LEU LEU A . n A 1 161 GLY 161 192 192 GLY GLY A . n A 1 162 GLY 162 193 193 GLY GLY A . n A 1 163 GLU 163 194 194 GLU GLU A . n A 1 164 ALA 164 195 195 ALA ALA A . n A 1 165 LYS 165 196 196 LYS LYS A . n A 1 166 ASP 166 197 197 ASP ASP A . n A 1 167 THR 167 198 198 THR THR A . n A 1 168 GLN 168 199 199 GLN GLN A . n A 1 169 GLU 169 200 200 GLU GLU A . n A 1 170 PRO 170 201 201 PRO PRO A . n A 1 171 GLY 171 202 202 GLY GLY A . n A 1 172 ILE 172 203 203 ILE ILE A . n A 1 173 GLN 173 204 204 GLN GLN A . n A 1 174 ALA 174 205 205 ALA ALA A . n A 1 175 GLY 175 206 206 GLY GLY A . n A 1 176 THR 176 207 207 THR THR A . n A 1 177 VAL 177 208 208 VAL VAL A . n A 1 178 THR 178 209 209 THR THR A . n A 1 179 ILE 179 210 210 ILE ILE A . n A 1 180 ILE 180 211 211 ILE ILE A . n A 1 181 SER 181 212 212 SER SER A . n A 1 182 ARG 182 213 213 ARG ARG A . n A 1 183 TYR 183 214 214 TYR TYR A . n A 1 184 SER 184 215 215 SER SER A . n A 1 185 LEU 185 216 216 LEU LEU A . n A 1 186 VAL 186 217 217 VAL VAL A . n A 1 187 PRO 187 218 218 PRO PRO A . n A 1 188 VAL 188 219 219 VAL VAL A . n A 1 189 GLY 189 220 220 GLY GLY A . n A 1 190 ARG 190 221 221 ARG ARG A . n A 1 191 ALA 191 222 222 ALA ALA A . n A 1 192 ASP 192 223 223 ASP ASP A . n A 1 193 GLY 193 224 224 GLY GLY A . n A 1 194 VAL 194 225 225 VAL VAL A . n A 1 195 LYS 195 226 226 LYS LYS A . n A 1 196 VAL 196 227 227 VAL VAL A . n A 1 197 THR 197 228 228 THR THR A . n A 1 198 CYS 198 229 229 CYS CYS A . n A 1 199 ARG 199 230 230 ARG ARG A . n A 1 200 VAL 200 231 231 VAL VAL A . n A 1 201 GLU 201 232 232 GLU GLU A . n A 1 202 HIS 202 233 233 HIS HIS A . n A 1 203 GLU 203 234 234 GLU GLU A . n A 1 204 SER 204 235 235 SER SER A . n A 1 205 PHE 205 236 236 PHE PHE A . n A 1 206 GLU 206 237 237 GLU GLU A . n A 1 207 GLU 207 238 238 GLU GLU A . n A 1 208 PRO 208 239 239 PRO PRO A . n A 1 209 ILE 209 240 240 ILE ILE A . n A 1 210 LEU 210 241 241 LEU LEU A . n A 1 211 LEU 211 242 242 LEU LEU A . n A 1 212 PRO 212 243 243 PRO PRO A . n A 1 213 VAL 213 244 244 VAL VAL A . n A 1 214 THR 214 245 245 THR THR A . n A 1 215 LEU 215 246 246 LEU LEU A . n A 1 216 SER 216 247 247 SER SER A . n A 1 217 VAL 217 248 248 VAL VAL A . n A 1 218 ARG 218 249 249 ARG ARG A . n A 1 219 TYR 219 250 250 TYR TYR A . n A 1 220 HIS 220 251 ? ? ? A . n A 1 221 HIS 221 252 ? ? ? A . n A 1 222 HIS 222 253 ? ? ? A . n A 1 223 HIS 223 254 ? ? ? A . n A 1 224 HIS 224 255 ? ? ? A . n A 1 225 HIS 225 256 ? ? ? A . n # _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 97 _pdbx_struct_mod_residue.auth_asym_id A _pdbx_struct_mod_residue.auth_comp_id ASN _pdbx_struct_mod_residue.auth_seq_id 128 _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 # _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 A _pdbx_struct_special_symmetry.auth_comp_id HOH _pdbx_struct_special_symmetry.auth_seq_id 403 _pdbx_struct_special_symmetry.PDB_ins_code ? _pdbx_struct_special_symmetry.label_asym_id F _pdbx_struct_special_symmetry.label_comp_id HOH _pdbx_struct_special_symmetry.label_seq_id . # loop_ _pdbx_audit_revision_history.ordinal _pdbx_audit_revision_history.data_content_type _pdbx_audit_revision_history.major_revision _pdbx_audit_revision_history.minor_revision _pdbx_audit_revision_history.revision_date 1 'Structure model' 1 0 2012-08-22 2 'Structure model' 1 1 2012-09-05 3 'Structure model' 1 2 2012-09-26 # _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' 'Database references' 2 3 'Structure model' 'Database references' # loop_ _pdbx_refine_tls.pdbx_refine_id _pdbx_refine_tls.id _pdbx_refine_tls.details _pdbx_refine_tls.method _pdbx_refine_tls.origin_x _pdbx_refine_tls.origin_y _pdbx_refine_tls.origin_z _pdbx_refine_tls.T[1][1] _pdbx_refine_tls.T[2][2] _pdbx_refine_tls.T[3][3] _pdbx_refine_tls.T[1][2] _pdbx_refine_tls.T[1][3] _pdbx_refine_tls.T[2][3] _pdbx_refine_tls.L[1][1] _pdbx_refine_tls.L[2][2] _pdbx_refine_tls.L[3][3] _pdbx_refine_tls.L[1][2] _pdbx_refine_tls.L[1][3] _pdbx_refine_tls.L[2][3] _pdbx_refine_tls.S[1][1] _pdbx_refine_tls.S[1][2] _pdbx_refine_tls.S[1][3] _pdbx_refine_tls.S[2][1] _pdbx_refine_tls.S[2][2] _pdbx_refine_tls.S[2][3] _pdbx_refine_tls.S[3][1] _pdbx_refine_tls.S[3][2] _pdbx_refine_tls.S[3][3] 'X-RAY DIFFRACTION' 1 ? refined 23.7906 -30.9261 15.8571 0.3317 0.2704 0.2092 -0.0393 0.0179 0.0570 7.4289 3.2353 10.3550 -2.3539 3.8919 -1.7284 0.2182 -0.8988 -0.5307 0.4236 -0.0201 -0.2263 0.5551 0.0828 -0.1981 'X-RAY DIFFRACTION' 2 ? refined 16.3013 -9.8990 -19.4661 0.1142 0.2208 0.1970 -0.0447 -0.0125 -0.0437 1.3367 4.6442 8.6669 -0.3820 -0.8766 -5.4391 -0.0252 0.2006 0.1688 0.1527 0.2261 0.2685 -0.3164 -0.4595 -0.2009 # loop_ _pdbx_refine_tls_group.pdbx_refine_id _pdbx_refine_tls_group.id _pdbx_refine_tls_group.refine_tls_id _pdbx_refine_tls_group.beg_auth_asym_id _pdbx_refine_tls_group.beg_auth_seq_id _pdbx_refine_tls_group.beg_label_asym_id _pdbx_refine_tls_group.beg_label_seq_id _pdbx_refine_tls_group.end_auth_asym_id _pdbx_refine_tls_group.end_auth_seq_id _pdbx_refine_tls_group.end_label_asym_id _pdbx_refine_tls_group.end_label_seq_id _pdbx_refine_tls_group.selection _pdbx_refine_tls_group.selection_details 'X-RAY DIFFRACTION' 1 1 A 33 ? ? A 149 ? ? ? ? 'X-RAY DIFFRACTION' 2 2 A 150 ? ? A 249 ? ? ? ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal ADSC 'data collection' Quantum ? 1 PHASER phasing . ? 2 REFMAC refinement 5.6.0117 ? 3 HKL-2000 'data reduction' . ? 4 HKL-2000 'data scaling' . ? 5 # loop_ _pdbx_validate_symm_contact.id _pdbx_validate_symm_contact.PDB_model_num _pdbx_validate_symm_contact.auth_atom_id_1 _pdbx_validate_symm_contact.auth_asym_id_1 _pdbx_validate_symm_contact.auth_comp_id_1 _pdbx_validate_symm_contact.auth_seq_id_1 _pdbx_validate_symm_contact.PDB_ins_code_1 _pdbx_validate_symm_contact.label_alt_id_1 _pdbx_validate_symm_contact.site_symmetry_1 _pdbx_validate_symm_contact.auth_atom_id_2 _pdbx_validate_symm_contact.auth_asym_id_2 _pdbx_validate_symm_contact.auth_comp_id_2 _pdbx_validate_symm_contact.auth_seq_id_2 _pdbx_validate_symm_contact.PDB_ins_code_2 _pdbx_validate_symm_contact.label_alt_id_2 _pdbx_validate_symm_contact.site_symmetry_2 _pdbx_validate_symm_contact.dist 1 1 OE2 A GLU 154 ? ? 1_555 OE2 A GLU 154 ? ? 12_544 2.03 2 1 NH1 A ARG 112 ? ? 1_555 O1 A SO4 304 ? ? 8_545 2.16 # _pdbx_validate_rmsd_bond.id 1 _pdbx_validate_rmsd_bond.PDB_model_num 1 _pdbx_validate_rmsd_bond.auth_atom_id_1 CD _pdbx_validate_rmsd_bond.auth_asym_id_1 A _pdbx_validate_rmsd_bond.auth_comp_id_1 PRO _pdbx_validate_rmsd_bond.auth_seq_id_1 105 _pdbx_validate_rmsd_bond.PDB_ins_code_1 ? _pdbx_validate_rmsd_bond.label_alt_id_1 ? _pdbx_validate_rmsd_bond.auth_atom_id_2 N _pdbx_validate_rmsd_bond.auth_asym_id_2 A _pdbx_validate_rmsd_bond.auth_comp_id_2 PRO _pdbx_validate_rmsd_bond.auth_seq_id_2 105 _pdbx_validate_rmsd_bond.PDB_ins_code_2 ? _pdbx_validate_rmsd_bond.label_alt_id_2 ? _pdbx_validate_rmsd_bond.bond_value 1.593 _pdbx_validate_rmsd_bond.bond_target_value 1.474 _pdbx_validate_rmsd_bond.bond_deviation 0.119 _pdbx_validate_rmsd_bond.bond_standard_deviation 0.014 _pdbx_validate_rmsd_bond.linker_flag N # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 N A LEU 216 ? ? CA A LEU 216 ? ? C A LEU 216 ? ? 91.37 111.00 -19.63 2.70 N 2 1 N A VAL 217 ? ? CA A VAL 217 ? ? CB A VAL 217 ? ? 94.54 111.50 -16.96 2.20 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 CYS A 54 ? ? -170.87 126.50 2 1 PRO A 58 ? ? -69.29 97.79 3 1 ALA A 103 ? ? -96.02 38.10 4 1 ARG A 104 ? ? -147.07 56.31 # loop_ _pdbx_unobs_or_zero_occ_residues.id _pdbx_unobs_or_zero_occ_residues.PDB_model_num _pdbx_unobs_or_zero_occ_residues.polymer_flag _pdbx_unobs_or_zero_occ_residues.occupancy_flag _pdbx_unobs_or_zero_occ_residues.auth_asym_id _pdbx_unobs_or_zero_occ_residues.auth_comp_id _pdbx_unobs_or_zero_occ_residues.auth_seq_id _pdbx_unobs_or_zero_occ_residues.PDB_ins_code _pdbx_unobs_or_zero_occ_residues.label_asym_id _pdbx_unobs_or_zero_occ_residues.label_comp_id _pdbx_unobs_or_zero_occ_residues.label_seq_id 1 1 Y 1 A GLN 32 ? A GLN 1 2 1 Y 1 A HIS 251 ? A HIS 220 3 1 Y 1 A HIS 252 ? A HIS 221 4 1 Y 1 A HIS 253 ? A HIS 222 5 1 Y 1 A HIS 254 ? A HIS 223 6 1 Y 1 A HIS 255 ? A HIS 224 7 1 Y 1 A HIS 256 ? A HIS 225 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 N-ACETYL-D-GLUCOSAMINE NAG 3 ALPHA-L-FUCOSE FUC 4 'SULFATE ION' SO4 5 water HOH # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code B 2 NAG 1 301 301 NAG NAG A . C 2 NAG 2 302 395 NAG NAG A . D 3 FUC 3 303 303 FUC FUC A . E 4 SO4 1 304 1 SO4 SO4 A . F 5 HOH 1 401 1 HOH HOH A . F 5 HOH 2 402 2 HOH HOH A . F 5 HOH 3 403 3 HOH HOH A . F 5 HOH 4 404 4 HOH HOH A . F 5 HOH 5 405 5 HOH HOH A . F 5 HOH 6 406 6 HOH HOH A . F 5 HOH 7 407 7 HOH HOH A . F 5 HOH 8 408 8 HOH HOH A . F 5 HOH 9 409 9 HOH HOH A . F 5 HOH 10 410 10 HOH HOH A . F 5 HOH 11 411 11 HOH HOH A . F 5 HOH 12 412 12 HOH HOH A . #