data_3B7Y # _entry.id 3B7Y # _audit_conform.dict_name mmcif_pdbx.dic _audit_conform.dict_version 5.279 _audit_conform.dict_location http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic # loop_ _database_2.database_id _database_2.database_code PDB 3B7Y RCSB RCSB045191 WWPDB D_1000045191 # _pdbx_database_status.status_code REL _pdbx_database_status.entry_id 3B7Y _pdbx_database_status.recvd_initial_deposition_date 2007-10-31 _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 Y _pdbx_database_status.pdb_format_compatible Y _pdbx_database_status.status_code_cs ? # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Walker, J.R.' 1 'Ruzanov, M.' 2 'Butler-Cole, C.' 3 'Weigelt, J.' 4 'Arrowsmith, C.H.' 5 'Edwards, A.M.' 6 'Bochkarev, A.' 7 'Dhe-Paganon, S.' 8 'Structural Genomics Consortium (SGC)' 9 # _citation.id primary _citation.title 'C2 Domain of the Human E3 Ubiquitin-Protein Ligase NEDD4.' _citation.journal_abbrev 'To be Published' _citation.journal_volume ? _citation.page_first ? _citation.page_last ? _citation.year ? _citation.journal_id_ASTM ? _citation.country ? _citation.journal_id_ISSN ? _citation.journal_id_CSD 0353 _citation.book_publisher ? _citation.pdbx_database_id_PubMed ? _citation.pdbx_database_id_DOI ? # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Walker, J.R.' 1 primary 'Ruzanov, M.' 2 primary 'Butler-Cole, C.' 3 primary 'Weigelt, J.' 4 primary 'Arrowsmith, C.H.' 5 primary 'Edwards, A.M.' 6 primary 'Bochkarev, A.' 7 primary 'Dhe-Paganon, S.' 8 # _cell.entry_id 3B7Y _cell.length_a 38.778 _cell.length_b 47.997 _cell.length_c 50.786 _cell.angle_alpha 108.89 _cell.angle_beta 111.11 _cell.angle_gamma 100.86 _cell.Z_PDB 2 _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 3B7Y _symmetry.space_group_name_H-M 'P 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 1 _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 'E3 ubiquitin-protein ligase NEDD4' 17750.564 2 6.3.2.- ? 'C2 Domain: Residues 101-252' ? 2 non-polymer syn 'CALCIUM ION' 40.078 2 ? ? ? ? 3 water nat water 18.015 219 ? ? ? ? # _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 ;GMATCAVEVFGLLEDEENSRIVRVRVIAGIGLAKKDILGASDPYVRVTLYDPMNGVLTSVQTKTIKKSLNPKWNEEILFR VHPQQHRLLFEVFDENRLTRDDFLGQVDVPLYPLPTENPRLERPYTFKDFVLHPRSHKSRVKGYLRLKMTYLP ; _entity_poly.pdbx_seq_one_letter_code_can ;GMATCAVEVFGLLEDEENSRIVRVRVIAGIGLAKKDILGASDPYVRVTLYDPMNGVLTSVQTKTIKKSLNPKWNEEILFR VHPQQHRLLFEVFDENRLTRDDFLGQVDVPLYPLPTENPRLERPYTFKDFVLHPRSHKSRVKGYLRLKMTYLP ; _entity_poly.pdbx_strand_id A,B _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 GLY n 1 2 MET n 1 3 ALA n 1 4 THR n 1 5 CYS n 1 6 ALA n 1 7 VAL n 1 8 GLU n 1 9 VAL n 1 10 PHE n 1 11 GLY n 1 12 LEU n 1 13 LEU n 1 14 GLU n 1 15 ASP n 1 16 GLU n 1 17 GLU n 1 18 ASN n 1 19 SER n 1 20 ARG n 1 21 ILE n 1 22 VAL n 1 23 ARG n 1 24 VAL n 1 25 ARG n 1 26 VAL n 1 27 ILE n 1 28 ALA n 1 29 GLY n 1 30 ILE n 1 31 GLY n 1 32 LEU n 1 33 ALA n 1 34 LYS n 1 35 LYS n 1 36 ASP n 1 37 ILE n 1 38 LEU n 1 39 GLY n 1 40 ALA n 1 41 SER n 1 42 ASP n 1 43 PRO n 1 44 TYR n 1 45 VAL n 1 46 ARG n 1 47 VAL n 1 48 THR n 1 49 LEU n 1 50 TYR n 1 51 ASP n 1 52 PRO n 1 53 MET n 1 54 ASN n 1 55 GLY n 1 56 VAL n 1 57 LEU n 1 58 THR n 1 59 SER n 1 60 VAL n 1 61 GLN n 1 62 THR n 1 63 LYS n 1 64 THR n 1 65 ILE n 1 66 LYS n 1 67 LYS n 1 68 SER n 1 69 LEU n 1 70 ASN n 1 71 PRO n 1 72 LYS n 1 73 TRP n 1 74 ASN n 1 75 GLU n 1 76 GLU n 1 77 ILE n 1 78 LEU n 1 79 PHE n 1 80 ARG n 1 81 VAL n 1 82 HIS n 1 83 PRO n 1 84 GLN n 1 85 GLN n 1 86 HIS n 1 87 ARG n 1 88 LEU n 1 89 LEU n 1 90 PHE n 1 91 GLU n 1 92 VAL n 1 93 PHE n 1 94 ASP n 1 95 GLU n 1 96 ASN n 1 97 ARG n 1 98 LEU n 1 99 THR n 1 100 ARG n 1 101 ASP n 1 102 ASP n 1 103 PHE n 1 104 LEU n 1 105 GLY n 1 106 GLN n 1 107 VAL n 1 108 ASP n 1 109 VAL n 1 110 PRO n 1 111 LEU n 1 112 TYR n 1 113 PRO n 1 114 LEU n 1 115 PRO n 1 116 THR n 1 117 GLU n 1 118 ASN n 1 119 PRO n 1 120 ARG n 1 121 LEU n 1 122 GLU n 1 123 ARG n 1 124 PRO n 1 125 TYR n 1 126 THR n 1 127 PHE n 1 128 LYS n 1 129 ASP n 1 130 PHE n 1 131 VAL n 1 132 LEU n 1 133 HIS n 1 134 PRO n 1 135 ARG n 1 136 SER n 1 137 HIS n 1 138 LYS n 1 139 SER n 1 140 ARG n 1 141 VAL n 1 142 LYS n 1 143 GLY n 1 144 TYR n 1 145 LEU n 1 146 ARG n 1 147 LEU n 1 148 LYS n 1 149 MET n 1 150 THR n 1 151 TYR n 1 152 LEU n 1 153 PRO n # _entity_src_gen.entity_id 1 _entity_src_gen.pdbx_src_id 1 _entity_src_gen.pdbx_alt_source_flag sample _entity_src_gen.pdbx_seq_type ? _entity_src_gen.pdbx_beg_seq_num ? _entity_src_gen.pdbx_end_seq_num ? _entity_src_gen.gene_src_common_name human _entity_src_gen.gene_src_genus Homo _entity_src_gen.pdbx_gene_src_gene 'NEDD4, KIAA0093' _entity_src_gen.gene_src_species ? _entity_src_gen.gene_src_strain ? _entity_src_gen.gene_src_tissue ? _entity_src_gen.gene_src_tissue_fraction ? _entity_src_gen.gene_src_details ? _entity_src_gen.pdbx_gene_src_fragment ? _entity_src_gen.pdbx_gene_src_scientific_name 'Homo sapiens' _entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 9606 _entity_src_gen.pdbx_gene_src_variant ? _entity_src_gen.pdbx_gene_src_cell_line ? _entity_src_gen.pdbx_gene_src_atcc ? _entity_src_gen.pdbx_gene_src_organ ? _entity_src_gen.pdbx_gene_src_organelle ? _entity_src_gen.pdbx_gene_src_cell ? _entity_src_gen.pdbx_gene_src_cellular_location ? _entity_src_gen.host_org_common_name ? _entity_src_gen.pdbx_host_org_scientific_name 'Escherichia coli BL21(DE3)' _entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 469008 _entity_src_gen.host_org_genus Escherichia _entity_src_gen.pdbx_host_org_gene ? _entity_src_gen.pdbx_host_org_organ ? _entity_src_gen.host_org_species 'Escherichia coli' _entity_src_gen.pdbx_host_org_tissue ? _entity_src_gen.pdbx_host_org_tissue_fraction ? _entity_src_gen.pdbx_host_org_strain 'BL21(DE3)' _entity_src_gen.pdbx_host_org_variant ? _entity_src_gen.pdbx_host_org_cell_line ? _entity_src_gen.pdbx_host_org_atcc ? _entity_src_gen.pdbx_host_org_culture_collection ? _entity_src_gen.pdbx_host_org_cell ? _entity_src_gen.pdbx_host_org_organelle ? _entity_src_gen.pdbx_host_org_cellular_location ? _entity_src_gen.pdbx_host_org_vector_type Plasmid _entity_src_gen.pdbx_host_org_vector ? _entity_src_gen.host_org_details ? _entity_src_gen.expression_system_id ? _entity_src_gen.plasmid_name p28a-LIC-TEV _entity_src_gen.plasmid_details ? _entity_src_gen.pdbx_description ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code NEDD4_HUMAN _struct_ref.pdbx_db_accession P46934 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;MATCAVEVFGLLEDEENSRIVRVRVIAGIGLAKKDILGASDPYVRVTLYDPMNGVLTSVQTKTIKKSLNPKWNEEILFRV HPQQHRLLFEVFDENRLTRDDFLGQVDVPLYPLPTENPRLERPYTFKDFVLHPRSHKSRVKGYLRLKMTYLP ; _struct_ref.pdbx_align_begin 101 _struct_ref.pdbx_db_isoform ? # loop_ _struct_ref_seq.align_id _struct_ref_seq.ref_id _struct_ref_seq.pdbx_PDB_id_code _struct_ref_seq.pdbx_strand_id _struct_ref_seq.seq_align_beg _struct_ref_seq.pdbx_seq_align_beg_ins_code _struct_ref_seq.seq_align_end _struct_ref_seq.pdbx_seq_align_end_ins_code _struct_ref_seq.pdbx_db_accession _struct_ref_seq.db_align_beg _struct_ref_seq.pdbx_db_align_beg_ins_code _struct_ref_seq.db_align_end _struct_ref_seq.pdbx_db_align_end_ins_code _struct_ref_seq.pdbx_auth_seq_align_beg _struct_ref_seq.pdbx_auth_seq_align_end 1 1 3B7Y A 2 ? 153 ? P46934 101 ? 252 ? 101 252 2 1 3B7Y B 2 ? 153 ? P46934 101 ? 252 ? 101 252 # 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 3B7Y GLY A 1 ? UNP P46934 ? ? 'EXPRESSION TAG' 100 1 2 3B7Y GLY B 1 ? UNP P46934 ? ? 'EXPRESSION TAG' 100 2 # 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 CA non-polymer . 'CALCIUM ION' ? 'Ca 2' 40.078 CYS 'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S' 121.158 GLN 'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3' 146.144 GLU 'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4' 147.129 GLY 'peptide linking' y GLYCINE ? 'C2 H5 N O2' 75.067 HIS 'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1' 156.162 HOH non-polymer . WATER ? 'H2 O' 18.015 ILE 'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2' 131.173 LEU 'L-peptide linking' y LEUCINE ? 'C6 H13 N O2' 131.173 LYS 'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1' 147.195 MET 'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S' 149.211 PHE 'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2' 165.189 PRO 'L-peptide linking' y PROLINE ? 'C5 H9 N O2' 115.130 SER 'L-peptide linking' y SERINE ? 'C3 H7 N O3' 105.093 THR 'L-peptide linking' y THREONINE ? 'C4 H9 N O3' 119.119 TRP 'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2' 204.225 TYR 'L-peptide linking' y TYROSINE ? 'C9 H11 N O3' 181.189 VAL 'L-peptide linking' y VALINE ? 'C5 H11 N O2' 117.146 # _exptl.entry_id 3B7Y _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.21 _exptl_crystal.density_percent_sol 44.23 _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 298.0 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 7.0 _exptl_crystal_grow.pdbx_details '10% PEG 4000, 0.1 M Succinic acid pH 7.0, 0.01M Spermine tetra-HCl, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K' _exptl_crystal_grow.pdbx_pH_range . # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector 'IMAGE PLATE' _diffrn_detector.type 'RIGAKU RAXIS IV++' _diffrn_detector.pdbx_collection_date 2007-10-11 _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 GRAPHITE _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 1.54178 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source 'ROTATING ANODE' _diffrn_source.type RIGAKU _diffrn_source.pdbx_synchrotron_site ? _diffrn_source.pdbx_synchrotron_beamline ? _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 1.54178 # _reflns.entry_id 3B7Y _reflns.observed_criterion_sigma_F 0 _reflns.observed_criterion_sigma_I -3 _reflns.d_resolution_high 1.8 _reflns.d_resolution_low 30 _reflns.number_all 26613 _reflns.number_obs 26613 _reflns.percent_possible_obs 95.0 _reflns.pdbx_Rmerge_I_obs ? _reflns.pdbx_Rsym_value 0.046 _reflns.pdbx_netI_over_sigmaI 28.51 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 4.1 _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_diffrn_id 1 _reflns.pdbx_ordinal 1 # _reflns_shell.d_res_high 1.80 _reflns_shell.d_res_low 1.86 _reflns_shell.percent_possible_all 79.1 _reflns_shell.Rmerge_I_obs ? _reflns_shell.pdbx_Rsym_value 0.364 _reflns_shell.meanI_over_sigI_obs 3.0 _reflns_shell.pdbx_redundancy 3.7 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all 2230 _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.entry_id 3B7Y _refine.ls_number_reflns_obs 25255 _refine.ls_number_reflns_all 26612 _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 27.23 _refine.ls_d_res_high 1.80 _refine.ls_percent_reflns_obs 94.78 _refine.ls_R_factor_obs 0.17056 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.16852 _refine.ls_R_factor_R_free 0.2086 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.1 _refine.ls_number_reflns_R_free 1357 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min ? _refine.occupancy_max ? _refine.correlation_coeff_Fo_to_Fc 0.971 _refine.correlation_coeff_Fo_to_Fc_free 0.960 _refine.B_iso_mean 30.718 _refine.aniso_B[1][1] 0.24 _refine.aniso_B[2][2] -1.26 _refine.aniso_B[3][3] 0.84 _refine.aniso_B[1][2] -0.40 _refine.aniso_B[1][3] 0.41 _refine.aniso_B[2][3] -0.49 _refine.solvent_model_details 'BABINET MODEL WITH MASK' _refine.solvent_model_param_ksol ? _refine.solvent_model_param_bsol ? _refine.pdbx_solvent_vdw_probe_radii 1.20 _refine.pdbx_solvent_ion_probe_radii 0.80 _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method THROUGHOUT _refine.details ;HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS. ATOM RECORD CONTAINS SUM OF TLS AND RESIDUAL B FACTORS, ANISOU RECORD CONTAINS SUM OF TLS AND RESIDUAL U FACTORS ; _refine.pdbx_starting_model 'PDB entry 2NSQ' _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values 'MAXIMUM LIKELIHOOD' _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details RANDOM _refine.pdbx_overall_ESU_R 0.130 _refine.pdbx_overall_ESU_R_Free 0.124 _refine.overall_SU_ML 0.085 _refine.overall_SU_B 5.436 _refine.ls_redundancy_reflns_obs ? _refine.B_iso_min ? _refine.B_iso_max ? _refine.overall_SU_R_Cruickshank_DPI ? _refine.overall_SU_R_free ? _refine.ls_wR_factor_R_free ? _refine.ls_wR_factor_R_work ? _refine.overall_FOM_free_R_set ? _refine.overall_FOM_work_R_set ? _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.pdbx_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_phase_error ? _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 2330 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 2 _refine_hist.number_atoms_solvent 221 _refine_hist.number_atoms_total 2553 _refine_hist.d_res_high 1.80 _refine_hist.d_res_low 27.23 # loop_ _refine_ls_restr.type _refine_ls_restr.dev_ideal _refine_ls_restr.dev_ideal_target _refine_ls_restr.weight _refine_ls_restr.number _refine_ls_restr.pdbx_refine_id _refine_ls_restr.pdbx_restraint_function r_bond_refined_d 0.014 0.022 ? 2387 'X-RAY DIFFRACTION' ? r_bond_other_d ? ? ? ? 'X-RAY DIFFRACTION' ? r_angle_refined_deg 1.456 1.978 ? 3251 'X-RAY DIFFRACTION' ? r_angle_other_deg ? ? ? ? 'X-RAY DIFFRACTION' ? r_dihedral_angle_1_deg 6.818 5.000 ? 290 'X-RAY DIFFRACTION' ? r_dihedral_angle_2_deg 36.155 23.019 ? 106 'X-RAY DIFFRACTION' ? r_dihedral_angle_3_deg 14.661 15.000 ? 395 'X-RAY DIFFRACTION' ? r_dihedral_angle_4_deg 15.397 15.000 ? 19 'X-RAY DIFFRACTION' ? r_chiral_restr 0.118 0.200 ? 372 'X-RAY DIFFRACTION' ? r_gen_planes_refined 0.006 0.020 ? 1811 'X-RAY DIFFRACTION' ? r_gen_planes_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbd_refined 0.201 0.200 ? 914 'X-RAY DIFFRACTION' ? r_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_nbtor_refined 0.312 0.200 ? 1591 'X-RAY DIFFRACTION' ? r_nbtor_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_refined 0.138 0.200 ? 180 'X-RAY DIFFRACTION' ? r_xyhbond_nbd_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_metal_ion_refined 0.115 0.200 ? 3 'X-RAY DIFFRACTION' ? r_metal_ion_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_vdw_refined 0.242 0.200 ? 55 'X-RAY DIFFRACTION' ? r_symmetry_vdw_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_symmetry_hbond_refined 0.183 0.200 ? 15 '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 1.767 3.000 ? 1512 'X-RAY DIFFRACTION' ? r_mcbond_other ? ? ? ? 'X-RAY DIFFRACTION' ? r_mcangle_it 2.383 4.000 ? 2395 'X-RAY DIFFRACTION' ? r_scbond_it 3.418 5.000 ? 990 'X-RAY DIFFRACTION' ? r_scangle_it 4.852 7.000 ? 856 'X-RAY DIFFRACTION' ? r_rigid_bond_restr ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_free ? ? ? ? 'X-RAY DIFFRACTION' ? r_sphericity_bonded ? ? ? ? 'X-RAY DIFFRACTION' ? # _refine_ls_shell.pdbx_total_number_of_bins_used 20 _refine_ls_shell.d_res_high 1.80 _refine_ls_shell.d_res_low 1.85 _refine_ls_shell.number_reflns_R_work 1446 _refine_ls_shell.R_factor_R_work 0.212 _refine_ls_shell.percent_reflns_obs 72.28 _refine_ls_shell.R_factor_R_free 0.29 _refine_ls_shell.R_factor_R_free_error ? _refine_ls_shell.percent_reflns_R_free ? _refine_ls_shell.number_reflns_R_free 90 _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 3B7Y _struct.title 'Crystal structure of the C2 Domain of the E3 Ubiquitin-Protein Ligase NEDD4' _struct.pdbx_descriptor 'E3 ubiquitin-protein ligase NEDD4 (E.C.6.3.2.-)' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag N _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3B7Y _struct_keywords.pdbx_keywords LIGASE _struct_keywords.text ;C2 DOMAIN, LIGASE, UBL-CONJUGATION PATHWAY, STRUCTURAL GENOMICS CONSORTIUM, SGC, Cytoplasm, Host-virus interaction, Phosphorylation, Polymorphism, Ubl conjugation pathway ; # 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 1 ? C N N 2 ? D N N 2 ? E N N 3 ? F N N 3 ? # _struct_biol.id 1 _struct_biol.details ? # _struct_conf.conf_type_id HELX_P _struct_conf.id HELX_P1 _struct_conf.pdbx_PDB_helix_id 1 _struct_conf.beg_label_comp_id ASN _struct_conf.beg_label_asym_id B _struct_conf.beg_label_seq_id 96 _struct_conf.pdbx_beg_PDB_ins_code ? _struct_conf.end_label_comp_id LEU _struct_conf.end_label_asym_id B _struct_conf.end_label_seq_id 98 _struct_conf.pdbx_end_PDB_ins_code ? _struct_conf.beg_auth_comp_id ASN _struct_conf.beg_auth_asym_id B _struct_conf.beg_auth_seq_id 195 _struct_conf.end_auth_comp_id LEU _struct_conf.end_auth_asym_id B _struct_conf.end_auth_seq_id 197 _struct_conf.pdbx_PDB_helix_class 5 _struct_conf.details ? _struct_conf.pdbx_PDB_helix_length 3 # _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 metalc1 metalc ? ? A ASP 42 OD2 ? ? ? 1_555 D CA . CA ? ? A ASP 141 A CA 302 1_555 ? ? ? ? ? ? ? 2.572 ? metalc2 metalc ? ? A GLU 95 O ? ? ? 1_555 D CA . CA ? ? A GLU 194 A CA 302 1_555 ? ? ? ? ? ? ? 2.438 ? metalc3 metalc ? ? A ASN 96 O ? ? ? 1_555 C CA . CA ? ? A ASN 195 A CA 301 1_555 ? ? ? ? ? ? ? 2.274 ? metalc4 metalc ? ? A ASN 96 OD1 ? ? ? 1_555 D CA . CA ? ? A ASN 195 A CA 302 1_555 ? ? ? ? ? ? ? 2.784 ? metalc5 metalc ? ? A THR 99 O ? ? ? 1_555 C CA . CA ? ? A THR 198 A CA 301 1_555 ? ? ? ? ? ? ? 2.286 ? metalc6 metalc ? ? A ASP 101 OD1 ? ? ? 1_555 C CA . CA ? ? A ASP 200 A CA 301 1_555 ? ? ? ? ? ? ? 2.399 ? # _struct_conn_type.id metalc _struct_conn_type.criteria ? _struct_conn_type.reference ? # 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 TYR 112 A . ? TYR 211 A PRO 113 A ? PRO 212 A 1 -4.80 2 TYR 112 B . ? TYR 211 B PRO 113 B ? PRO 212 B 1 -5.96 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 5 ? B ? 4 ? C ? 5 ? D ? 4 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel C 1 2 ? parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 VAL A 9 ? GLY A 11 ? VAL A 108 GLY A 110 A 2 GLU A 75 ? VAL A 81 ? GLU A 174 VAL A 180 A 3 ARG A 20 ? ILE A 30 ? ARG A 119 ILE A 129 A 4 TYR A 144 ? TYR A 151 ? TYR A 243 TYR A 250 A 5 LYS A 128 ? VAL A 131 ? LYS A 227 VAL A 230 B 1 GLY A 55 ? GLN A 61 ? GLY A 154 GLN A 160 B 2 PRO A 43 ? ASP A 51 ? PRO A 142 ASP A 150 B 3 ARG A 87 ? ASP A 94 ? ARG A 186 ASP A 193 B 4 ASP A 102 ? PRO A 110 ? ASP A 201 PRO A 209 C 1 VAL B 9 ? GLY B 11 ? VAL B 108 GLY B 110 C 2 GLU B 75 ? VAL B 81 ? GLU B 174 VAL B 180 C 3 ARG B 20 ? ILE B 30 ? ARG B 119 ILE B 129 C 4 TYR B 144 ? TYR B 151 ? TYR B 243 TYR B 250 C 5 LYS B 128 ? VAL B 131 ? LYS B 227 VAL B 230 D 1 GLY B 55 ? GLN B 61 ? GLY B 154 GLN B 160 D 2 PRO B 43 ? ASP B 51 ? PRO B 142 ASP B 150 D 3 ARG B 87 ? ASP B 94 ? ARG B 186 ASP B 193 D 4 PHE B 103 ? PRO B 110 ? PHE B 202 PRO B 209 # 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 PHE A 10 ? N PHE A 109 O ARG A 80 ? O ARG A 179 A 2 3 O GLU A 75 ? O GLU A 174 N VAL A 26 ? N VAL A 125 A 3 4 N ARG A 25 ? N ARG A 124 O LYS A 148 ? O LYS A 247 A 4 5 O LEU A 145 ? O LEU A 244 N PHE A 130 ? N PHE A 229 B 1 2 O VAL A 60 ? O VAL A 159 N VAL A 47 ? N VAL A 146 B 2 3 N ARG A 46 ? N ARG A 145 O GLU A 91 ? O GLU A 190 B 3 4 N VAL A 92 ? N VAL A 191 O LEU A 104 ? O LEU A 203 C 1 2 N PHE B 10 ? N PHE B 109 O ARG B 80 ? O ARG B 179 C 2 3 O GLU B 75 ? O GLU B 174 N VAL B 26 ? N VAL B 125 C 3 4 N ARG B 23 ? N ARG B 122 O THR B 150 ? O THR B 249 C 4 5 O LEU B 145 ? O LEU B 244 N PHE B 130 ? N PHE B 229 D 1 2 O GLY B 55 ? O GLY B 154 N ASP B 51 ? N ASP B 150 D 2 3 N THR B 48 ? N THR B 147 O LEU B 89 ? O LEU B 188 D 3 4 N VAL B 92 ? N VAL B 191 O LEU B 104 ? O LEU B 203 # 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 ? ? ? ? 3 'BINDING SITE FOR RESIDUE CA A 301' AC2 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE CA A 302' # 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 3 ASN A 96 ? ASN A 195 . ? 1_555 ? 2 AC1 3 THR A 99 ? THR A 198 . ? 1_555 ? 3 AC1 3 ASP A 101 ? ASP A 200 . ? 1_555 ? 4 AC2 4 ASP A 42 ? ASP A 141 . ? 1_555 ? 5 AC2 4 ASP A 94 ? ASP A 193 . ? 1_555 ? 6 AC2 4 GLU A 95 ? GLU A 194 . ? 1_555 ? 7 AC2 4 ASN A 96 ? ASN A 195 . ? 1_555 ? # _database_PDB_matrix.entry_id 3B7Y _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 3B7Y _atom_sites.fract_transf_matrix[1][1] 0.025788 _atom_sites.fract_transf_matrix[1][2] 0.004945 _atom_sites.fract_transf_matrix[1][3] 0.013350 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.021214 _atom_sites.fract_transf_matrix[2][3] 0.010029 _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] 0.023347 _atom_sites.fract_transf_vector[1] 0.00000 _atom_sites.fract_transf_vector[2] 0.00000 _atom_sites.fract_transf_vector[3] 0.00000 # loop_ _atom_type.symbol C CA N O S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1 3 ? 5.929 32.017 3.507 1.00 75.42 ? 102 ALA A N 1 ATOM 2 C CA . ALA A 1 3 ? 6.990 33.040 3.812 1.00 79.42 ? 102 ALA A CA 1 ATOM 3 C C . ALA A 1 3 ? 6.873 34.264 2.878 1.00 75.39 ? 102 ALA A C 1 ATOM 4 O O . ALA A 1 3 ? 6.670 35.405 3.332 1.00 74.01 ? 102 ALA A O 1 ATOM 5 C CB . ALA A 1 3 ? 8.379 32.408 3.734 1.00 86.65 ? 102 ALA A CB 1 ATOM 6 N N . THR A 1 4 ? 7.004 34.027 1.575 1.00 72.42 ? 103 THR A N 1 ATOM 7 C CA . THR A 1 4 ? 6.549 34.998 0.585 1.00 66.39 ? 103 THR A CA 1 ATOM 8 C C . THR A 1 4 ? 5.055 34.693 0.270 1.00 59.05 ? 103 THR A C 1 ATOM 9 O O . THR A 1 4 ? 4.357 35.473 -0.373 1.00 51.70 ? 103 THR A O 1 ATOM 10 C CB . THR A 1 4 ? 7.406 34.954 -0.680 1.00 69.69 ? 103 THR A CB 1 ATOM 11 O OG1 . THR A 1 4 ? 8.755 35.340 -0.368 1.00 75.01 ? 103 THR A OG1 1 ATOM 12 C CG2 . THR A 1 4 ? 6.850 35.896 -1.714 1.00 70.12 ? 103 THR A CG2 1 ATOM 13 N N . CYS A 1 5 ? 4.576 33.555 0.742 1.00 58.19 ? 104 CYS A N 1 ATOM 14 C CA . CYS A 1 5 ? 3.165 33.230 0.614 1.00 54.89 ? 104 CYS A CA 1 ATOM 15 C C . CYS A 1 5 ? 2.464 33.386 1.971 1.00 54.89 ? 104 CYS A C 1 ATOM 16 O O . CYS A 1 5 ? 2.726 32.628 2.908 1.00 58.52 ? 104 CYS A O 1 ATOM 17 C CB . CYS A 1 5 ? 2.983 31.822 0.047 1.00 54.85 ? 104 CYS A CB 1 ATOM 18 S SG . CYS A 1 5 ? 1.264 31.382 -0.105 1.00 57.02 ? 104 CYS A SG 1 ATOM 19 N N . ALA A 1 6 ? 1.598 34.388 2.083 1.00 50.40 ? 105 ALA A N 1 ATOM 20 C CA . ALA A 1 6 ? 0.811 34.588 3.305 1.00 49.97 ? 105 ALA A CA 1 ATOM 21 C C . ALA A 1 6 ? -0.347 33.602 3.393 1.00 47.68 ? 105 ALA A C 1 ATOM 22 O O . ALA A 1 6 ? -0.692 33.129 4.479 1.00 48.70 ? 105 ALA A O 1 ATOM 23 C CB . ALA A 1 6 ? 0.291 36.027 3.389 1.00 48.35 ? 105 ALA A CB 1 ATOM 24 N N . VAL A 1 7 ? -0.929 33.271 2.241 1.00 42.89 ? 106 VAL A N 1 ATOM 25 C CA . VAL A 1 7 ? -2.127 32.446 2.175 1.00 40.11 ? 106 VAL A CA 1 ATOM 26 C C . VAL A 1 7 ? -2.006 31.476 0.991 1.00 39.99 ? 106 VAL A C 1 ATOM 27 O O . VAL A 1 7 ? -1.930 31.912 -0.162 1.00 38.72 ? 106 VAL A O 1 ATOM 28 C CB . VAL A 1 7 ? -3.379 33.311 1.980 1.00 40.43 ? 106 VAL A CB 1 ATOM 29 C CG1 . VAL A 1 7 ? -4.622 32.427 1.891 1.00 40.82 ? 106 VAL A CG1 1 ATOM 30 C CG2 . VAL A 1 7 ? -3.516 34.370 3.100 1.00 37.39 ? 106 VAL A CG2 1 ATOM 31 N N . GLU A 1 8 ? -1.898 30.182 1.305 1.00 40.28 ? 107 GLU A N 1 ATOM 32 C CA . GLU A 1 8 ? -1.826 29.092 0.312 1.00 42.46 ? 107 GLU A CA 1 ATOM 33 C C . GLU A 1 8 ? -3.216 28.590 -0.078 1.00 40.86 ? 107 GLU A C 1 ATOM 34 O O . GLU A 1 8 ? -4.127 28.613 0.755 1.00 40.31 ? 107 GLU A O 1 ATOM 35 C CB . GLU A 1 8 ? -1.099 27.867 0.896 1.00 46.72 ? 107 GLU A CB 1 ATOM 36 C CG . GLU A 1 8 ? 0.308 28.056 1.347 1.00 57.31 ? 107 GLU A CG 1 ATOM 37 C CD . GLU A 1 8 ? 0.849 26.768 1.974 1.00 60.79 ? 107 GLU A CD 1 ATOM 38 O OE1 . GLU A 1 8 ? 0.759 25.698 1.322 1.00 63.05 ? 107 GLU A OE1 1 ATOM 39 O OE2 . GLU A 1 8 ? 1.332 26.834 3.129 1.00 70.90 ? 107 GLU A OE2 1 ATOM 40 N N . VAL A 1 9 ? -3.369 28.109 -1.315 1.00 36.68 ? 108 VAL A N 1 ATOM 41 C CA . VAL A 1 9 ? -4.619 27.430 -1.705 1.00 37.93 ? 108 VAL A CA 1 ATOM 42 C C . VAL A 1 9 ? -4.267 25.957 -1.859 1.00 36.75 ? 108 VAL A C 1 ATOM 43 O O . VAL A 1 9 ? -3.308 25.610 -2.582 1.00 38.08 ? 108 VAL A O 1 ATOM 44 C CB . VAL A 1 9 ? -5.173 27.964 -3.035 1.00 39.74 ? 108 VAL A CB 1 ATOM 45 C CG1 . VAL A 1 9 ? -6.530 27.315 -3.346 1.00 37.72 ? 108 VAL A CG1 1 ATOM 46 C CG2 . VAL A 1 9 ? -5.298 29.474 -2.972 1.00 40.04 ? 108 VAL A CG2 1 ATOM 47 N N . PHE A 1 10 ? -5.020 25.099 -1.168 1.00 33.95 ? 109 PHE A N 1 ATOM 48 C CA . PHE A 1 10 ? -4.806 23.663 -1.217 1.00 35.57 ? 109 PHE A CA 1 ATOM 49 C C . PHE A 1 10 ? -5.848 23.002 -2.093 1.00 36.71 ? 109 PHE A C 1 ATOM 50 O O . PHE A 1 10 ? -6.869 23.607 -2.427 1.00 35.80 ? 109 PHE A O 1 ATOM 51 C CB . PHE A 1 10 ? -4.920 23.123 0.215 1.00 36.92 ? 109 PHE A CB 1 ATOM 52 C CG . PHE A 1 10 ? -3.907 23.738 1.164 1.00 36.72 ? 109 PHE A CG 1 ATOM 53 C CD1 . PHE A 1 10 ? -2.637 23.160 1.311 1.00 44.34 ? 109 PHE A CD1 1 ATOM 54 C CD2 . PHE A 1 10 ? -4.213 24.887 1.877 1.00 36.53 ? 109 PHE A CD2 1 ATOM 55 C CE1 . PHE A 1 10 ? -1.689 23.717 2.169 1.00 49.14 ? 109 PHE A CE1 1 ATOM 56 C CE2 . PHE A 1 10 ? -3.263 25.457 2.743 1.00 40.85 ? 109 PHE A CE2 1 ATOM 57 C CZ . PHE A 1 10 ? -1.997 24.866 2.878 1.00 46.48 ? 109 PHE A CZ 1 ATOM 58 N N . GLY A 1 11 ? -5.626 21.735 -2.430 1.00 37.19 ? 110 GLY A N 1 ATOM 59 C CA . GLY A 1 11 ? -6.648 21.014 -3.186 1.00 37.22 ? 110 GLY A CA 1 ATOM 60 C C . GLY A 1 11 ? -6.324 20.979 -4.671 1.00 38.42 ? 110 GLY A C 1 ATOM 61 O O . GLY A 1 11 ? -5.218 20.631 -5.059 1.00 41.82 ? 110 GLY A O 1 ATOM 62 N N . LEU A 1 12 ? -7.290 21.345 -5.515 1.00 38.66 ? 111 LEU A N 1 ATOM 63 C CA . LEU A 1 12 ? -7.044 21.404 -6.957 1.00 39.70 ? 111 LEU A CA 1 ATOM 64 C C . LEU A 1 12 ? -5.957 22.415 -7.228 1.00 44.85 ? 111 LEU A C 1 ATOM 65 O O . LEU A 1 12 ? -5.907 23.473 -6.584 1.00 44.20 ? 111 LEU A O 1 ATOM 66 C CB . LEU A 1 12 ? -8.324 21.733 -7.719 1.00 41.62 ? 111 LEU A CB 1 ATOM 67 C CG . LEU A 1 12 ? -9.463 20.707 -7.536 1.00 41.64 ? 111 LEU A CG 1 ATOM 68 C CD1 . LEU A 1 12 ? -10.761 21.224 -8.138 1.00 42.14 ? 111 LEU A CD1 1 ATOM 69 C CD2 . LEU A 1 12 ? -9.131 19.323 -8.109 1.00 40.86 ? 111 LEU A CD2 1 ATOM 70 N N . LEU A 1 13 ? -5.058 22.072 -8.148 1.00 48.42 ? 112 LEU A N 1 ATOM 71 C CA . LEU A 1 13 ? -3.843 22.872 -8.347 1.00 57.01 ? 112 LEU A CA 1 ATOM 72 C C . LEU A 1 13 ? -3.939 23.914 -9.463 1.00 61.87 ? 112 LEU A C 1 ATOM 73 O O . LEU A 1 13 ? -2.932 24.575 -9.771 1.00 68.16 ? 112 LEU A O 1 ATOM 74 C CB . LEU A 1 13 ? -2.632 21.954 -8.587 1.00 61.71 ? 112 LEU A CB 1 ATOM 75 N N . GLU A 1 14 ? -5.126 24.051 -10.064 1.00 62.89 ? 113 GLU A N 1 ATOM 76 C CA . GLU A 1 14 ? -5.394 25.046 -11.118 1.00 68.77 ? 113 GLU A CA 1 ATOM 77 C C . GLU A 1 14 ? -6.897 25.269 -11.308 1.00 68.25 ? 113 GLU A C 1 ATOM 78 O O . GLU A 1 14 ? -7.691 24.358 -11.103 1.00 63.60 ? 113 GLU A O 1 ATOM 79 C CB . GLU A 1 14 ? -4.764 24.620 -12.464 1.00 77.94 ? 113 GLU A CB 1 ATOM 80 N N . ASP A 1 15 ? -7.270 26.481 -11.717 1.00 71.71 ? 114 ASP A N 1 ATOM 81 C CA . ASP A 1 15 ? -8.679 26.840 -11.936 1.00 74.67 ? 114 ASP A CA 1 ATOM 82 C C . ASP A 1 15 ? -9.264 26.247 -13.222 1.00 81.91 ? 114 ASP A C 1 ATOM 83 O O . ASP A 1 15 ? -8.666 26.362 -14.298 1.00 89.07 ? 114 ASP A O 1 ATOM 84 C CB . ASP A 1 15 ? -8.849 28.369 -11.950 1.00 75.88 ? 114 ASP A CB 1 ATOM 85 N N . GLU A 1 16 ? -10.441 25.632 -13.099 1.00 78.22 ? 115 GLU A N 1 ATOM 86 C CA . GLU A 1 16 ? -11.216 25.129 -14.241 1.00 83.39 ? 115 GLU A CA 1 ATOM 87 C C . GLU A 1 16 ? -12.616 25.745 -14.211 1.00 81.85 ? 115 GLU A C 1 ATOM 88 O O . GLU A 1 16 ? -12.971 26.432 -13.247 1.00 80.05 ? 115 GLU A O 1 ATOM 89 C CB . GLU A 1 16 ? -11.332 23.606 -14.179 1.00 87.14 ? 115 GLU A CB 1 ATOM 90 C CG . GLU A 1 16 ? -10.002 22.867 -14.168 1.00 94.60 ? 115 GLU A CG 1 ATOM 91 C CD . GLU A 1 16 ? -9.924 21.823 -13.064 1.00 95.98 ? 115 GLU A CD 1 ATOM 92 O OE1 . GLU A 1 16 ? -10.602 21.993 -12.031 1.00 90.58 ? 115 GLU A OE1 1 ATOM 93 O OE2 . GLU A 1 16 ? -9.176 20.834 -13.226 1.00 104.99 ? 115 GLU A OE2 1 ATOM 94 N N . GLU A 1 17 ? -13.410 25.504 -15.254 1.00 85.49 ? 116 GLU A N 1 ATOM 95 C CA . GLU A 1 17 ? -14.803 25.978 -15.304 1.00 84.95 ? 116 GLU A CA 1 ATOM 96 C C . GLU A 1 17 ? -15.587 25.574 -14.041 1.00 80.84 ? 116 GLU A C 1 ATOM 97 O O . GLU A 1 17 ? -16.258 26.407 -13.418 1.00 81.19 ? 116 GLU A O 1 ATOM 98 C CB . GLU A 1 17 ? -15.510 25.462 -16.559 1.00 91.29 ? 116 GLU A CB 1 ATOM 99 N N . ASN A 1 18 ? -15.470 24.306 -13.651 1.00 76.73 ? 117 ASN A N 1 ATOM 100 C CA . ASN A 1 18 ? -16.247 23.779 -12.537 1.00 72.56 ? 117 ASN A CA 1 ATOM 101 C C . ASN A 1 18 ? -15.554 23.886 -11.175 1.00 64.15 ? 117 ASN A C 1 ATOM 102 O O . ASN A 1 18 ? -15.906 23.132 -10.249 1.00 63.62 ? 117 ASN A O 1 ATOM 103 C CB . ASN A 1 18 ? -16.648 22.322 -12.815 1.00 79.34 ? 117 ASN A CB 1 ATOM 104 N N . SER A 1 19 ? -14.585 24.801 -11.039 1.00 55.31 ? 118 SER A N 1 ATOM 105 C CA . SER A 1 19 ? -13.894 24.970 -9.737 1.00 49.93 ? 118 SER A CA 1 ATOM 106 C C . SER A 1 19 ? -14.049 26.362 -9.112 1.00 45.59 ? 118 SER A C 1 ATOM 107 O O . SER A 1 19 ? -14.099 27.380 -9.829 1.00 45.98 ? 118 SER A O 1 ATOM 108 C CB . SER A 1 19 ? -12.408 24.551 -9.802 1.00 49.54 ? 118 SER A CB 1 ATOM 109 O OG . SER A 1 19 ? -11.592 25.614 -10.262 1.00 53.61 ? 118 SER A OG 1 ATOM 110 N N . ARG A 1 20 ? -14.141 26.380 -7.779 1.00 40.16 ? 119 ARG A N 1 ATOM 111 C CA . ARG A 1 20 ? -14.263 27.577 -6.981 1.00 39.35 ? 119 ARG A CA 1 ATOM 112 C C . ARG A 1 20 ? -13.271 27.442 -5.828 1.00 37.50 ? 119 ARG A C 1 ATOM 113 O O . ARG A 1 20 ? -12.873 26.332 -5.470 1.00 37.92 ? 119 ARG A O 1 ATOM 114 C CB . ARG A 1 20 ? -15.678 27.680 -6.372 1.00 41.59 ? 119 ARG A CB 1 ATOM 115 C CG . ARG A 1 20 ? -16.867 27.906 -7.328 1.00 51.07 ? 119 ARG A CG 1 ATOM 116 C CD . ARG A 1 20 ? -16.813 29.255 -7.997 1.00 58.03 ? 119 ARG A CD 1 ATOM 117 N NE . ARG A 1 20 ? -17.067 30.434 -7.148 1.00 56.34 ? 119 ARG A NE 1 ATOM 118 C CZ . ARG A 1 20 ? -18.271 30.843 -6.728 1.00 62.78 ? 119 ARG A CZ 1 ATOM 119 N NH1 . ARG A 1 20 ? -19.374 30.152 -6.990 1.00 67.04 ? 119 ARG A NH1 1 ATOM 120 N NH2 . ARG A 1 20 ? -18.380 31.953 -6.027 1.00 61.37 ? 119 ARG A NH2 1 ATOM 121 N N . ILE A 1 21 ? -12.893 28.576 -5.239 1.00 37.44 ? 120 ILE A N 1 ATOM 122 C CA . ILE A 1 21 ? -12.058 28.555 -4.034 1.00 34.92 ? 120 ILE A CA 1 ATOM 123 C C . ILE A 1 21 ? -12.965 28.804 -2.827 1.00 35.89 ? 120 ILE A C 1 ATOM 124 O O . ILE A 1 21 ? -13.688 29.791 -2.780 1.00 37.15 ? 120 ILE A O 1 ATOM 125 C CB . ILE A 1 21 ? -10.901 29.584 -4.103 1.00 38.02 ? 120 ILE A CB 1 ATOM 126 C CG1 . ILE A 1 21 ? -9.987 29.268 -5.305 1.00 39.23 ? 120 ILE A CG1 1 ATOM 127 C CG2 . ILE A 1 21 ? -10.132 29.620 -2.777 1.00 36.49 ? 120 ILE A CG2 1 ATOM 128 C CD1 . ILE A 1 21 ? -8.883 30.273 -5.582 1.00 44.39 ? 120 ILE A CD1 1 ATOM 129 N N . VAL A 1 22 ? -12.938 27.886 -1.867 1.00 35.30 ? 121 VAL A N 1 ATOM 130 C CA . VAL A 1 22 ? -13.756 28.044 -0.652 1.00 32.94 ? 121 VAL A CA 1 ATOM 131 C C . VAL A 1 22 ? -12.856 28.496 0.498 1.00 32.86 ? 121 VAL A C 1 ATOM 132 O O . VAL A 1 22 ? -11.793 27.900 0.751 1.00 33.47 ? 121 VAL A O 1 ATOM 133 C CB . VAL A 1 22 ? -14.508 26.730 -0.267 1.00 33.54 ? 121 VAL A CB 1 ATOM 134 C CG1 . VAL A 1 22 ? -13.557 25.585 -0.071 1.00 41.50 ? 121 VAL A CG1 1 ATOM 135 C CG2 . VAL A 1 22 ? -15.335 26.942 1.026 1.00 30.43 ? 121 VAL A CG2 1 ATOM 136 N N . ARG A 1 23 ? -13.317 29.512 1.228 1.00 35.02 ? 122 ARG A N 1 ATOM 137 C CA . ARG A 1 23 ? -12.631 29.989 2.397 1.00 32.16 ? 122 ARG A CA 1 ATOM 138 C C . ARG A 1 23 ? -13.270 29.279 3.592 1.00 31.60 ? 122 ARG A C 1 ATOM 139 O O . ARG A 1 23 ? -14.456 29.499 3.888 1.00 33.49 ? 122 ARG A O 1 ATOM 140 C CB . ARG A 1 23 ? -12.833 31.502 2.518 1.00 35.43 ? 122 ARG A CB 1 ATOM 141 C CG . ARG A 1 23 ? -12.382 32.033 3.867 1.00 37.42 ? 122 ARG A CG 1 ATOM 142 C CD . ARG A 1 23 ? -12.591 33.527 4.012 1.00 47.68 ? 122 ARG A CD 1 ATOM 143 N NE . ARG A 1 23 ? -11.334 34.160 3.653 1.00 61.00 ? 122 ARG A NE 1 ATOM 144 C CZ . ARG A 1 23 ? -11.080 34.737 2.498 1.00 50.10 ? 122 ARG A CZ 1 ATOM 145 N NH1 . ARG A 1 23 ? -12.025 34.867 1.596 1.00 65.66 ? 122 ARG A NH1 1 ATOM 146 N NH2 . ARG A 1 23 ? -9.892 35.259 2.272 1.00 69.43 ? 122 ARG A NH2 1 ATOM 147 N N . VAL A 1 24 ? -12.493 28.446 4.289 1.00 31.52 ? 123 VAL A N 1 ATOM 148 C CA . VAL A 1 24 ? -13.000 27.692 5.453 1.00 31.31 ? 123 VAL A CA 1 ATOM 149 C C . VAL A 1 24 ? -12.460 28.348 6.731 1.00 32.30 ? 123 VAL A C 1 ATOM 150 O O . VAL A 1 24 ? -11.263 28.310 6.988 1.00 35.29 ? 123 VAL A O 1 ATOM 151 C CB . VAL A 1 24 ? -12.534 26.198 5.400 1.00 33.03 ? 123 VAL A CB 1 ATOM 152 C CG1 . VAL A 1 24 ? -13.001 25.426 6.627 1.00 34.11 ? 123 VAL A CG1 1 ATOM 153 C CG2 . VAL A 1 24 ? -13.021 25.520 4.096 1.00 34.49 ? 123 VAL A CG2 1 ATOM 154 N N . ARG A 1 25 ? -13.328 28.936 7.544 1.00 31.77 ? 124 ARG A N 1 ATOM 155 C CA . ARG A 1 25 ? -12.888 29.471 8.827 1.00 33.76 ? 124 ARG A CA 1 ATOM 156 C C . ARG A 1 25 ? -13.176 28.444 9.886 1.00 33.66 ? 124 ARG A C 1 ATOM 157 O O . ARG A 1 25 ? -14.333 28.092 10.139 1.00 34.51 ? 124 ARG A O 1 ATOM 158 C CB . ARG A 1 25 ? -13.584 30.801 9.172 1.00 37.56 ? 124 ARG A CB 1 ATOM 159 C CG . ARG A 1 25 ? -13.259 31.924 8.206 1.00 45.61 ? 124 ARG A CG 1 ATOM 160 C CD . ARG A 1 25 ? -13.805 33.277 8.721 1.00 52.96 ? 124 ARG A CD 1 ATOM 161 N NE . ARG A 1 25 ? -13.584 33.449 10.156 1.00 66.58 ? 124 ARG A NE 1 ATOM 162 C CZ . ARG A 1 25 ? -13.658 34.612 10.791 1.00 76.82 ? 124 ARG A CZ 1 ATOM 163 N NH1 . ARG A 1 25 ? -13.935 35.729 10.123 1.00 87.05 ? 124 ARG A NH1 1 ATOM 164 N NH2 . ARG A 1 25 ? -13.451 34.664 12.095 1.00 81.16 ? 124 ARG A NH2 1 ATOM 165 N N . VAL A 1 26 ? -12.116 27.977 10.517 1.00 32.09 ? 125 VAL A N 1 ATOM 166 C CA . VAL A 1 26 ? -12.224 27.072 11.676 1.00 31.50 ? 125 VAL A CA 1 ATOM 167 C C . VAL A 1 26 ? -12.122 27.958 12.916 1.00 32.47 ? 125 VAL A C 1 ATOM 168 O O . VAL A 1 26 ? -11.026 28.359 13.351 1.00 34.83 ? 125 VAL A O 1 ATOM 169 C CB . VAL A 1 26 ? -11.120 26.010 11.678 1.00 32.54 ? 125 VAL A CB 1 ATOM 170 C CG1 . VAL A 1 26 ? -11.321 25.081 12.862 1.00 34.90 ? 125 VAL A CG1 1 ATOM 171 C CG2 . VAL A 1 26 ? -11.120 25.196 10.341 1.00 30.23 ? 125 VAL A CG2 1 ATOM 172 N N . ILE A 1 27 ? -13.272 28.285 13.481 1.00 31.58 ? 126 ILE A N 1 ATOM 173 C CA . ILE A 1 27 ? -13.310 29.380 14.449 1.00 31.65 ? 126 ILE A CA 1 ATOM 174 C C . ILE A 1 27 ? -12.989 28.870 15.830 1.00 35.87 ? 126 ILE A C 1 ATOM 175 O O . ILE A 1 27 ? -12.063 29.369 16.487 1.00 36.15 ? 126 ILE A O 1 ATOM 176 C CB . ILE A 1 27 ? -14.703 30.127 14.430 1.00 31.64 ? 126 ILE A CB 1 ATOM 177 C CG1 . ILE A 1 27 ? -14.929 30.744 13.043 1.00 33.01 ? 126 ILE A CG1 1 ATOM 178 C CG2 . ILE A 1 27 ? -14.798 31.166 15.534 1.00 35.87 ? 126 ILE A CG2 1 ATOM 179 C CD1 . ILE A 1 27 ? -16.392 31.091 12.729 1.00 35.42 ? 126 ILE A CD1 1 ATOM 180 N N . ALA A 1 28 ? -13.746 27.878 16.285 1.00 34.52 ? 127 ALA A N 1 ATOM 181 C CA . ALA A 1 28 ? -13.598 27.420 17.667 1.00 35.43 ? 127 ALA A CA 1 ATOM 182 C C . ALA A 1 28 ? -14.226 26.058 17.850 1.00 36.71 ? 127 ALA A C 1 ATOM 183 O O . ALA A 1 28 ? -15.073 25.638 17.039 1.00 36.46 ? 127 ALA A O 1 ATOM 184 C CB . ALA A 1 28 ? -14.271 28.411 18.620 1.00 35.34 ? 127 ALA A CB 1 ATOM 185 N N . GLY A 1 29 ? -13.782 25.365 18.898 1.00 37.70 ? 128 GLY A N 1 ATOM 186 C CA . GLY A 1 29 ? -14.463 24.182 19.411 1.00 40.18 ? 128 GLY A CA 1 ATOM 187 C C . GLY A 1 29 ? -15.143 24.566 20.700 1.00 44.87 ? 128 GLY A C 1 ATOM 188 O O . GLY A 1 29 ? -14.580 25.314 21.501 1.00 46.96 ? 128 GLY A O 1 ATOM 189 N N . ILE A 1 30 ? -16.340 24.037 20.925 1.00 48.24 ? 129 ILE A N 1 ATOM 190 C CA . ILE A 1 30 ? -17.159 24.468 22.044 1.00 51.44 ? 129 ILE A CA 1 ATOM 191 C C . ILE A 1 30 ? -17.603 23.267 22.879 1.00 55.26 ? 129 ILE A C 1 ATOM 192 O O . ILE A 1 30 ? -18.365 22.416 22.401 1.00 54.80 ? 129 ILE A O 1 ATOM 193 C CB . ILE A 1 30 ? -18.405 25.260 21.542 1.00 54.11 ? 129 ILE A CB 1 ATOM 194 C CG1 . ILE A 1 30 ? -17.993 26.482 20.720 1.00 51.99 ? 129 ILE A CG1 1 ATOM 195 C CG2 . ILE A 1 30 ? -19.270 25.712 22.695 1.00 56.60 ? 129 ILE A CG2 1 ATOM 196 C CD1 . ILE A 1 30 ? -18.984 26.826 19.662 1.00 55.05 ? 129 ILE A CD1 1 ATOM 197 N N . GLY A 1 31 ? -17.122 23.215 24.121 1.00 56.38 ? 130 GLY A N 1 ATOM 198 C CA . GLY A 1 31 ? -17.481 22.157 25.078 1.00 59.50 ? 130 GLY A CA 1 ATOM 199 C C . GLY A 1 31 ? -16.979 20.790 24.654 1.00 58.10 ? 130 GLY A C 1 ATOM 200 O O . GLY A 1 31 ? -17.736 19.824 24.657 1.00 57.84 ? 130 GLY A O 1 ATOM 201 N N . LEU A 1 32 ? -15.706 20.720 24.264 1.00 57.11 ? 131 LEU A N 1 ATOM 202 C CA . LEU A 1 32 ? -15.066 19.466 23.854 1.00 57.11 ? 131 LEU A CA 1 ATOM 203 C C . LEU A 1 32 ? -14.887 18.505 25.043 1.00 62.84 ? 131 LEU A C 1 ATOM 204 O O . LEU A 1 32 ? -14.854 18.933 26.199 1.00 63.36 ? 131 LEU A O 1 ATOM 205 C CB . LEU A 1 32 ? -13.706 19.760 23.225 1.00 55.64 ? 131 LEU A CB 1 ATOM 206 C CG . LEU A 1 32 ? -13.606 20.154 21.749 1.00 54.14 ? 131 LEU A CG 1 ATOM 207 C CD1 . LEU A 1 32 ? -14.736 21.016 21.274 1.00 59.31 ? 131 LEU A CD1 1 ATOM 208 C CD2 . LEU A 1 32 ? -12.256 20.782 21.488 1.00 51.76 ? 131 LEU A CD2 1 ATOM 209 N N . ALA A 1 33 ? -14.766 17.214 24.747 1.00 64.01 ? 132 ALA A N 1 ATOM 210 C CA . ALA A 1 33 ? -14.584 16.184 25.771 1.00 69.35 ? 132 ALA A CA 1 ATOM 211 C C . ALA A 1 33 ? -13.177 16.215 26.388 1.00 71.40 ? 132 ALA A C 1 ATOM 212 O O . ALA A 1 33 ? -12.175 16.419 25.686 1.00 67.31 ? 132 ALA A O 1 ATOM 213 C CB . ALA A 1 33 ? -14.884 14.817 25.185 1.00 70.15 ? 132 ALA A CB 1 ATOM 214 N N . SER A 1 41 ? -5.682 18.642 27.758 1.00 76.70 ? 140 SER A N 1 ATOM 215 C CA . SER A 1 41 ? -6.385 18.598 26.465 1.00 71.56 ? 140 SER A CA 1 ATOM 216 C C . SER A 1 41 ? -5.931 19.670 25.465 1.00 66.15 ? 140 SER A C 1 ATOM 217 O O . SER A 1 41 ? -6.180 20.861 25.665 1.00 63.88 ? 140 SER A O 1 ATOM 218 C CB . SER A 1 41 ? -7.895 18.692 26.675 1.00 72.55 ? 140 SER A CB 1 ATOM 219 O OG . SER A 1 41 ? -8.575 18.107 25.576 1.00 74.60 ? 140 SER A OG 1 ATOM 220 N N . ASP A 1 42 ? -5.300 19.223 24.380 1.00 62.44 ? 141 ASP A N 1 ATOM 221 C CA . ASP A 1 42 ? -4.600 20.099 23.446 1.00 59.27 ? 141 ASP A CA 1 ATOM 222 C C . ASP A 1 42 ? -5.080 19.856 22.009 1.00 56.29 ? 141 ASP A C 1 ATOM 223 O O . ASP A 1 42 ? -4.410 19.155 21.231 1.00 54.41 ? 141 ASP A O 1 ATOM 224 C CB . ASP A 1 42 ? -3.087 19.883 23.539 1.00 61.80 ? 141 ASP A CB 1 ATOM 225 C CG . ASP A 1 42 ? -2.602 19.703 24.979 1.00 67.63 ? 141 ASP A CG 1 ATOM 226 O OD1 . ASP A 1 42 ? -2.654 20.670 25.775 1.00 65.68 ? 141 ASP A OD1 1 ATOM 227 O OD2 . ASP A 1 42 ? -2.165 18.576 25.308 1.00 71.63 ? 141 ASP A OD2 1 ATOM 228 N N . PRO A 1 43 ? -6.239 20.441 21.656 1.00 53.10 ? 142 PRO A N 1 ATOM 229 C CA . PRO A 1 43 ? -6.939 20.162 20.393 1.00 47.89 ? 142 PRO A CA 1 ATOM 230 C C . PRO A 1 43 ? -6.395 20.809 19.118 1.00 45.93 ? 142 PRO A C 1 ATOM 231 O O . PRO A 1 43 ? -5.938 21.950 19.141 1.00 44.21 ? 142 PRO A O 1 ATOM 232 C CB . PRO A 1 43 ? -8.362 20.680 20.653 1.00 48.90 ? 142 PRO A CB 1 ATOM 233 C CG . PRO A 1 43 ? -8.393 21.106 22.143 1.00 53.40 ? 142 PRO A CG 1 ATOM 234 C CD . PRO A 1 43 ? -6.985 21.401 22.492 1.00 55.02 ? 142 PRO A CD 1 ATOM 235 N N . TYR A 1 44 ? -6.495 20.084 18.001 1.00 41.74 ? 143 TYR A N 1 ATOM 236 C CA . TYR A 1 44 ? -6.309 20.654 16.656 1.00 39.66 ? 143 TYR A CA 1 ATOM 237 C C . TYR A 1 44 ? -7.381 20.034 15.778 1.00 38.86 ? 143 TYR A C 1 ATOM 238 O O . TYR A 1 44 ? -8.075 19.096 16.204 1.00 39.66 ? 143 TYR A O 1 ATOM 239 C CB . TYR A 1 44 ? -4.921 20.330 16.090 1.00 40.52 ? 143 TYR A CB 1 ATOM 240 C CG . TYR A 1 44 ? -4.593 18.851 15.932 1.00 44.87 ? 143 TYR A CG 1 ATOM 241 C CD1 . TYR A 1 44 ? -3.918 18.147 16.940 1.00 46.43 ? 143 TYR A CD1 1 ATOM 242 C CD2 . TYR A 1 44 ? -4.932 18.163 14.758 1.00 42.49 ? 143 TYR A CD2 1 ATOM 243 C CE1 . TYR A 1 44 ? -3.597 16.774 16.781 1.00 46.65 ? 143 TYR A CE1 1 ATOM 244 C CE2 . TYR A 1 44 ? -4.609 16.801 14.587 1.00 43.52 ? 143 TYR A CE2 1 ATOM 245 C CZ . TYR A 1 44 ? -3.948 16.121 15.605 1.00 46.16 ? 143 TYR A CZ 1 ATOM 246 O OH . TYR A 1 44 ? -3.637 14.785 15.442 1.00 49.03 ? 143 TYR A OH 1 ATOM 247 N N . VAL A 1 45 ? -7.541 20.565 14.577 1.00 35.41 ? 144 VAL A N 1 ATOM 248 C CA . VAL A 1 45 ? -8.524 20.019 13.663 1.00 34.34 ? 144 VAL A CA 1 ATOM 249 C C . VAL A 1 45 ? -7.779 19.629 12.404 1.00 35.39 ? 144 VAL A C 1 ATOM 250 O O . VAL A 1 45 ? -6.962 20.399 11.898 1.00 38.16 ? 144 VAL A O 1 ATOM 251 C CB . VAL A 1 45 ? -9.652 21.040 13.324 1.00 34.32 ? 144 VAL A CB 1 ATOM 252 C CG1 . VAL A 1 45 ? -10.709 20.350 12.427 1.00 33.87 ? 144 VAL A CG1 1 ATOM 253 C CG2 . VAL A 1 45 ? -10.276 21.600 14.585 1.00 38.65 ? 144 VAL A CG2 1 ATOM 254 N N . ARG A 1 46 ? -8.044 18.429 11.905 1.00 35.85 ? 145 ARG A N 1 ATOM 255 C CA . ARG A 1 46 ? -7.536 18.035 10.599 1.00 34.41 ? 145 ARG A CA 1 ATOM 256 C C . ARG A 1 46 ? -8.725 18.179 9.644 1.00 32.70 ? 145 ARG A C 1 ATOM 257 O O . ARG A 1 46 ? -9.797 17.623 9.900 1.00 36.06 ? 145 ARG A O 1 ATOM 258 C CB . ARG A 1 46 ? -7.068 16.586 10.635 1.00 37.07 ? 145 ARG A CB 1 ATOM 259 C CG . ARG A 1 46 ? -6.628 16.042 9.281 1.00 36.67 ? 145 ARG A CG 1 ATOM 260 C CD . ARG A 1 46 ? -6.163 14.606 9.418 1.00 41.21 ? 145 ARG A CD 1 ATOM 261 N NE . ARG A 1 46 ? -4.917 14.531 10.180 1.00 53.46 ? 145 ARG A NE 1 ATOM 262 N N . VAL A 1 47 ? -8.533 18.930 8.562 1.00 31.50 ? 146 VAL A N 1 ATOM 263 C CA . VAL A 1 47 ? -9.623 19.245 7.617 1.00 30.24 ? 146 VAL A CA 1 ATOM 264 C C . VAL A 1 47 ? -9.278 18.539 6.328 1.00 32.55 ? 146 VAL A C 1 ATOM 265 O O . VAL A 1 47 ? -8.276 18.862 5.701 1.00 33.79 ? 146 VAL A O 1 ATOM 266 C CB . VAL A 1 47 ? -9.709 20.777 7.370 1.00 31.14 ? 146 VAL A CB 1 ATOM 267 C CG1 . VAL A 1 47 ? -10.919 21.107 6.469 1.00 31.55 ? 146 VAL A CG1 1 ATOM 268 C CG2 . VAL A 1 47 ? -9.810 21.536 8.735 1.00 33.33 ? 146 VAL A CG2 1 ATOM 269 N N . THR A 1 48 ? -10.070 17.530 5.972 1.00 32.02 ? 147 THR A N 1 ATOM 270 C CA . THR A 1 48 ? -9.771 16.648 4.838 1.00 31.25 ? 147 THR A CA 1 ATOM 271 C C . THR A 1 48 ? -10.762 16.956 3.716 1.00 30.40 ? 147 THR A C 1 ATOM 272 O O . THR A 1 48 ? -11.986 17.002 3.929 1.00 32.67 ? 147 THR A O 1 ATOM 273 C CB . THR A 1 48 ? -9.883 15.145 5.231 1.00 32.32 ? 147 THR A CB 1 ATOM 274 O OG1 . THR A 1 48 ? -8.868 14.792 6.182 1.00 34.49 ? 147 THR A OG1 1 ATOM 275 C CG2 . THR A 1 48 ? -9.735 14.259 3.991 1.00 34.53 ? 147 THR A CG2 1 ATOM 276 N N . LEU A 1 49 ? -10.211 17.231 2.530 1.00 29.58 ? 148 LEU A N 1 ATOM 277 C CA . LEU A 1 49 ? -10.990 17.463 1.323 1.00 27.96 ? 148 LEU A CA 1 ATOM 278 C C . LEU A 1 49 ? -11.029 16.151 0.548 1.00 29.53 ? 148 LEU A C 1 ATOM 279 O O . LEU A 1 49 ? -9.981 15.580 0.209 1.00 29.44 ? 148 LEU A O 1 ATOM 280 C CB . LEU A 1 49 ? -10.277 18.502 0.416 1.00 29.11 ? 148 LEU A CB 1 ATOM 281 C CG . LEU A 1 49 ? -10.878 18.803 -0.946 1.00 31.80 ? 148 LEU A CG 1 ATOM 282 C CD1 . LEU A 1 49 ? -12.335 19.419 -0.801 1.00 29.85 ? 148 LEU A CD1 1 ATOM 283 C CD2 . LEU A 1 49 ? -9.963 19.726 -1.804 1.00 33.01 ? 148 LEU A CD2 1 ATOM 284 N N . TYR A 1 50 ? -12.220 15.681 0.243 1.00 28.91 ? 149 TYR A N 1 ATOM 285 C CA . TYR A 1 50 ? -12.357 14.409 -0.464 1.00 29.47 ? 149 TYR A CA 1 ATOM 286 C C . TYR A 1 50 ? -13.430 14.405 -1.536 1.00 32.13 ? 149 TYR A C 1 ATOM 287 O O . TYR A 1 50 ? -14.292 15.280 -1.587 1.00 31.12 ? 149 TYR A O 1 ATOM 288 C CB . TYR A 1 50 ? -12.565 13.304 0.567 1.00 29.37 ? 149 TYR A CB 1 ATOM 289 C CG . TYR A 1 50 ? -13.952 13.266 1.211 1.00 29.66 ? 149 TYR A CG 1 ATOM 290 C CD1 . TYR A 1 50 ? -14.222 13.923 2.421 1.00 27.80 ? 149 TYR A CD1 1 ATOM 291 C CD2 . TYR A 1 50 ? -14.978 12.525 0.617 1.00 31.53 ? 149 TYR A CD2 1 ATOM 292 C CE1 . TYR A 1 50 ? -15.497 13.839 3.018 1.00 30.48 ? 149 TYR A CE1 1 ATOM 293 C CE2 . TYR A 1 50 ? -16.238 12.437 1.217 1.00 35.08 ? 149 TYR A CE2 1 ATOM 294 C CZ . TYR A 1 50 ? -16.494 13.086 2.387 1.00 33.53 ? 149 TYR A CZ 1 ATOM 295 O OH . TYR A 1 50 ? -17.758 12.954 2.964 1.00 33.99 ? 149 TYR A OH 1 ATOM 296 N N . ASP A 1 51 ? -13.368 13.393 -2.387 1.00 31.42 ? 150 ASP A N 1 ATOM 297 C CA . ASP A 1 51 ? -14.348 13.162 -3.420 1.00 34.75 ? 150 ASP A CA 1 ATOM 298 C C . ASP A 1 51 ? -14.894 11.754 -3.150 1.00 34.16 ? 150 ASP A C 1 ATOM 299 O O . ASP A 1 51 ? -14.112 10.799 -3.007 1.00 33.95 ? 150 ASP A O 1 ATOM 300 C CB . ASP A 1 51 ? -13.639 13.168 -4.779 1.00 40.93 ? 150 ASP A CB 1 ATOM 301 C CG . ASP A 1 51 ? -14.529 12.672 -5.871 1.00 43.90 ? 150 ASP A CG 1 ATOM 302 O OD1 . ASP A 1 51 ? -15.577 13.294 -6.048 1.00 49.66 ? 150 ASP A OD1 1 ATOM 303 O OD2 . ASP A 1 51 ? -14.204 11.664 -6.516 1.00 53.05 ? 150 ASP A OD2 1 ATOM 304 N N . PRO A 1 52 ? -16.207 11.610 -3.072 1.00 35.66 ? 151 PRO A N 1 ATOM 305 C CA . PRO A 1 52 ? -16.808 10.293 -2.832 1.00 37.93 ? 151 PRO A CA 1 ATOM 306 C C . PRO A 1 52 ? -16.278 9.159 -3.715 1.00 38.13 ? 151 PRO A C 1 ATOM 307 O O . PRO A 1 52 ? -16.080 8.041 -3.241 1.00 41.34 ? 151 PRO A O 1 ATOM 308 C CB . PRO A 1 52 ? -18.285 10.542 -3.105 1.00 40.02 ? 151 PRO A CB 1 ATOM 309 C CG . PRO A 1 52 ? -18.475 11.957 -2.645 1.00 41.86 ? 151 PRO A CG 1 ATOM 310 C CD . PRO A 1 52 ? -17.237 12.665 -3.170 1.00 36.78 ? 151 PRO A CD 1 ATOM 311 N N . MET A 1 53 ? -16.042 9.452 -4.990 1.00 36.81 ? 152 MET A N 1 ATOM 312 C CA . MET A 1 53 ? -15.640 8.411 -5.919 1.00 43.05 ? 152 MET A CA 1 ATOM 313 C C . MET A 1 53 ? -14.142 8.089 -5.839 1.00 43.81 ? 152 MET A C 1 ATOM 314 O O . MET A 1 53 ? -13.733 6.952 -6.102 1.00 49.60 ? 152 MET A O 1 ATOM 315 C CB . MET A 1 53 ? -16.036 8.816 -7.332 1.00 46.68 ? 152 MET A CB 1 ATOM 316 C CG . MET A 1 53 ? -17.523 9.055 -7.493 1.00 51.09 ? 152 MET A CG 1 ATOM 317 S SD . MET A 1 53 ? -18.436 7.525 -7.331 1.00 62.60 ? 152 MET A SD 1 ATOM 318 C CE . MET A 1 53 ? -20.029 8.106 -7.938 1.00 61.97 ? 152 MET A CE 1 ATOM 319 N N . ASN A 1 54 ? -13.334 9.074 -5.475 1.00 39.80 ? 153 ASN A N 1 ATOM 320 C CA . ASN A 1 54 ? -11.869 8.925 -5.482 1.00 41.77 ? 153 ASN A CA 1 ATOM 321 C C . ASN A 1 54 ? -11.148 9.041 -4.149 1.00 41.44 ? 153 ASN A C 1 ATOM 322 O O . ASN A 1 54 ? -9.939 8.827 -4.083 1.00 43.92 ? 153 ASN A O 1 ATOM 323 C CB . ASN A 1 54 ? -11.260 9.940 -6.442 1.00 41.80 ? 153 ASN A CB 1 ATOM 324 C CG . ASN A 1 54 ? -11.647 9.671 -7.895 1.00 49.45 ? 153 ASN A CG 1 ATOM 325 O OD1 . ASN A 1 54 ? -12.200 10.538 -8.577 1.00 57.68 ? 153 ASN A OD1 1 ATOM 326 N ND2 . ASN A 1 54 ? -11.366 8.455 -8.371 1.00 54.82 ? 153 ASN A ND2 1 ATOM 327 N N . GLY A 1 55 ? -11.865 9.382 -3.085 1.00 37.63 ? 154 GLY A N 1 ATOM 328 C CA . GLY A 1 55 ? -11.235 9.490 -1.787 1.00 36.09 ? 154 GLY A CA 1 ATOM 329 C C . GLY A 1 55 ? -10.517 10.837 -1.569 1.00 35.26 ? 154 GLY A C 1 ATOM 330 O O . GLY A 1 55 ? -10.899 11.882 -2.124 1.00 33.19 ? 154 GLY A O 1 ATOM 331 N N . VAL A 1 56 ? -9.465 10.813 -0.776 1.00 34.10 ? 155 VAL A N 1 ATOM 332 C CA . VAL A 1 56 ? -8.926 12.063 -0.247 1.00 32.84 ? 155 VAL A CA 1 ATOM 333 C C . VAL A 1 56 ? -8.098 12.811 -1.298 1.00 34.37 ? 155 VAL A C 1 ATOM 334 O O . VAL A 1 56 ? -7.238 12.213 -1.945 1.00 33.64 ? 155 VAL A O 1 ATOM 335 C CB . VAL A 1 56 ? -8.025 11.783 0.964 1.00 33.85 ? 155 VAL A CB 1 ATOM 336 C CG1 . VAL A 1 56 ? -7.361 13.072 1.424 1.00 32.71 ? 155 VAL A CG1 1 ATOM 337 C CG2 . VAL A 1 56 ? -8.855 11.107 2.095 1.00 36.80 ? 155 VAL A CG2 1 ATOM 338 N N . LEU A 1 57 ? -8.339 14.121 -1.444 1.00 31.04 ? 156 LEU A N 1 ATOM 339 C CA . LEU A 1 57 ? -7.518 14.967 -2.324 1.00 32.56 ? 156 LEU A CA 1 ATOM 340 C C . LEU A 1 57 ? -6.375 15.488 -1.488 1.00 32.12 ? 156 LEU A C 1 ATOM 341 O O . LEU A 1 57 ? -5.202 15.369 -1.866 1.00 34.50 ? 156 LEU A O 1 ATOM 342 C CB . LEU A 1 57 ? -8.346 16.169 -2.837 1.00 33.83 ? 156 LEU A CB 1 ATOM 343 C CG . LEU A 1 57 ? -8.107 16.662 -4.260 1.00 45.28 ? 156 LEU A CG 1 ATOM 344 C CD1 . LEU A 1 57 ? -8.610 18.062 -4.522 1.00 44.28 ? 156 LEU A CD1 1 ATOM 345 C CD2 . LEU A 1 57 ? -6.655 16.476 -4.750 1.00 51.59 ? 156 LEU A CD2 1 ATOM 346 N N . THR A 1 58 ? -6.717 16.073 -0.329 1.00 33.10 ? 157 THR A N 1 ATOM 347 C CA . THR A 1 58 ? -5.700 16.609 0.587 1.00 33.74 ? 157 THR A CA 1 ATOM 348 C C . THR A 1 58 ? -6.260 16.858 1.977 1.00 34.52 ? 157 THR A C 1 ATOM 349 O O . THR A 1 58 ? -7.472 16.816 2.170 1.00 33.49 ? 157 THR A O 1 ATOM 350 C CB . THR A 1 58 ? -5.035 17.892 0.010 1.00 38.17 ? 157 THR A CB 1 ATOM 351 O OG1 . THR A 1 58 ? -3.747 18.106 0.637 1.00 40.99 ? 157 THR A OG1 1 ATOM 352 C CG2 . THR A 1 58 ? -5.960 19.134 0.186 1.00 36.68 ? 157 THR A CG2 1 ATOM 353 N N . SER A 1 59 ? -5.382 17.125 2.941 1.00 33.69 ? 158 SER A N 1 ATOM 354 C CA . SER A 1 59 ? -5.847 17.554 4.276 1.00 31.12 ? 158 SER A CA 1 ATOM 355 C C . SER A 1 59 ? -4.878 18.617 4.794 1.00 31.65 ? 158 SER A C 1 ATOM 356 O O . SER A 1 59 ? -3.694 18.656 4.382 1.00 33.84 ? 158 SER A O 1 ATOM 357 C CB . SER A 1 59 ? -5.878 16.382 5.260 1.00 33.42 ? 158 SER A CB 1 ATOM 358 O OG . SER A 1 59 ? -4.572 15.902 5.546 1.00 36.52 ? 158 SER A OG 1 ATOM 359 N N . VAL A 1 60 ? -5.378 19.452 5.703 1.00 31.02 ? 159 VAL A N 1 ATOM 360 C CA . VAL A 1 60 ? -4.604 20.540 6.311 1.00 31.69 ? 159 VAL A CA 1 ATOM 361 C C . VAL A 1 60 ? -4.945 20.456 7.797 1.00 33.33 ? 159 VAL A C 1 ATOM 362 O O . VAL A 1 60 ? -6.128 20.251 8.154 1.00 34.67 ? 159 VAL A O 1 ATOM 363 C CB . VAL A 1 60 ? -5.096 21.913 5.777 1.00 32.05 ? 159 VAL A CB 1 ATOM 364 C CG1 . VAL A 1 60 ? -4.442 23.101 6.525 1.00 34.98 ? 159 VAL A CG1 1 ATOM 365 C CG2 . VAL A 1 60 ? -4.789 22.045 4.301 1.00 35.22 ? 159 VAL A CG2 1 ATOM 366 N N . GLN A 1 61 ? -3.945 20.656 8.660 1.00 35.16 ? 160 GLN A N 1 ATOM 367 C CA . GLN A 1 61 ? -4.153 20.577 10.106 1.00 35.77 ? 160 GLN A CA 1 ATOM 368 C C . GLN A 1 61 ? -4.008 21.971 10.691 1.00 36.49 ? 160 GLN A C 1 ATOM 369 O O . GLN A 1 61 ? -3.057 22.698 10.340 1.00 36.40 ? 160 GLN A O 1 ATOM 370 C CB . GLN A 1 61 ? -3.084 19.632 10.690 1.00 40.64 ? 160 GLN A CB 1 ATOM 371 C CG . GLN A 1 61 ? -3.218 19.311 12.155 1.00 45.22 ? 160 GLN A CG 1 ATOM 372 C CD . GLN A 1 61 ? -2.253 18.209 12.583 1.00 45.68 ? 160 GLN A CD 1 ATOM 373 O OE1 . GLN A 1 61 ? -2.162 17.180 11.923 1.00 47.88 ? 160 GLN A OE1 1 ATOM 374 N NE2 . GLN A 1 61 ? -1.544 18.422 13.691 1.00 47.41 ? 160 GLN A NE2 1 ATOM 375 N N . THR A 1 62 ? -4.933 22.359 11.575 1.00 35.99 ? 161 THR A N 1 ATOM 376 C CA . THR A 1 62 ? -4.809 23.661 12.274 1.00 37.30 ? 161 THR A CA 1 ATOM 377 C C . THR A 1 62 ? -3.653 23.617 13.263 1.00 39.89 ? 161 THR A C 1 ATOM 378 O O . THR A 1 62 ? -3.082 22.555 13.510 1.00 38.94 ? 161 THR A O 1 ATOM 379 C CB . THR A 1 62 ? -6.065 24.016 13.051 1.00 36.76 ? 161 THR A CB 1 ATOM 380 O OG1 . THR A 1 62 ? -6.232 23.077 14.127 1.00 36.98 ? 161 THR A OG1 1 ATOM 381 C CG2 . THR A 1 62 ? -7.312 24.017 12.107 1.00 38.28 ? 161 THR A CG2 1 ATOM 382 N N . LYS A 1 63 ? -3.318 24.772 13.839 1.00 42.36 ? 162 LYS A N 1 ATOM 383 C CA . LYS A 1 63 ? -2.394 24.826 14.949 1.00 46.14 ? 162 LYS A CA 1 ATOM 384 C C . LYS A 1 63 ? -3.031 24.053 16.097 1.00 46.61 ? 162 LYS A C 1 ATOM 385 O O . LYS A 1 63 ? -4.249 23.798 16.093 1.00 43.29 ? 162 LYS A O 1 ATOM 386 C CB . LYS A 1 63 ? -2.118 26.274 15.357 1.00 48.05 ? 162 LYS A CB 1 ATOM 387 C CG . LYS A 1 63 ? -1.446 27.111 14.268 1.00 51.08 ? 162 LYS A CG 1 ATOM 388 C CD . LYS A 1 63 ? -0.984 28.480 14.818 1.00 54.56 ? 162 LYS A CD 1 ATOM 389 N N . THR A 1 64 ? -2.202 23.646 17.050 1.00 46.56 ? 163 THR A N 1 ATOM 390 C CA . THR A 1 64 ? -2.680 23.004 18.273 1.00 48.83 ? 163 THR A CA 1 ATOM 391 C C . THR A 1 64 ? -2.862 24.038 19.395 1.00 52.00 ? 163 THR A C 1 ATOM 392 O O . THR A 1 64 ? -1.961 24.832 19.650 1.00 53.54 ? 163 THR A O 1 ATOM 393 C CB . THR A 1 64 ? -1.694 21.920 18.710 1.00 50.56 ? 163 THR A CB 1 ATOM 394 O OG1 . THR A 1 64 ? -1.622 20.921 17.687 1.00 50.73 ? 163 THR A OG1 1 ATOM 395 C CG2 . THR A 1 64 ? -2.114 21.281 20.045 1.00 53.42 ? 163 THR A CG2 1 ATOM 396 N N . ILE A 1 65 ? -4.021 24.049 20.050 1.00 52.39 ? 164 ILE A N 1 ATOM 397 C CA . ILE A 1 65 ? -4.214 24.922 21.222 1.00 56.04 ? 164 ILE A CA 1 ATOM 398 C C . ILE A 1 65 ? -3.928 24.142 22.506 1.00 61.47 ? 164 ILE A C 1 ATOM 399 O O . ILE A 1 65 ? -4.607 23.157 22.789 1.00 62.43 ? 164 ILE A O 1 ATOM 400 C CB . ILE A 1 65 ? -5.666 25.488 21.317 1.00 54.75 ? 164 ILE A CB 1 ATOM 401 C CG1 . ILE A 1 65 ? -6.070 26.313 20.073 1.00 53.22 ? 164 ILE A CG1 1 ATOM 402 C CG2 . ILE A 1 65 ? -5.865 26.295 22.641 1.00 57.17 ? 164 ILE A CG2 1 ATOM 403 C CD1 . ILE A 1 65 ? -5.140 27.423 19.691 1.00 54.88 ? 164 ILE A CD1 1 ATOM 404 N N . LYS A 1 66 ? -2.952 24.589 23.302 1.00 60.38 ? 165 LYS A N 1 ATOM 405 C CA . LYS A 1 66 ? -2.575 23.868 24.518 1.00 64.50 ? 165 LYS A CA 1 ATOM 406 C C . LYS A 1 66 ? -3.605 24.030 25.642 1.00 65.62 ? 165 LYS A C 1 ATOM 407 O O . LYS A 1 66 ? -4.087 25.145 25.897 1.00 65.92 ? 165 LYS A O 1 ATOM 408 C CB . LYS A 1 66 ? -1.185 24.305 25.009 1.00 68.09 ? 165 LYS A CB 1 ATOM 409 C CG . LYS A 1 66 ? -0.033 23.873 24.095 1.00 69.04 ? 165 LYS A CG 1 ATOM 410 N N . LYS A 1 67 ? -3.939 22.907 26.282 1.00 66.07 ? 166 LYS A N 1 ATOM 411 C CA . LYS A 1 67 ? -4.781 22.842 27.503 1.00 68.62 ? 166 LYS A CA 1 ATOM 412 C C . LYS A 1 67 ? -6.093 23.654 27.482 1.00 67.26 ? 166 LYS A C 1 ATOM 413 O O . LYS A 1 67 ? -6.262 24.609 28.258 1.00 69.76 ? 166 LYS A O 1 ATOM 414 C CB . LYS A 1 67 ? -3.943 23.162 28.754 1.00 70.67 ? 166 LYS A CB 1 ATOM 415 C CG . LYS A 1 67 ? -2.910 22.093 29.047 1.00 74.51 ? 166 LYS A CG 1 ATOM 416 N N . SER A 1 68 ? -7.017 23.251 26.607 1.00 64.27 ? 167 SER A N 1 ATOM 417 C CA . SER A 1 68 ? -8.289 23.946 26.441 1.00 62.69 ? 167 SER A CA 1 ATOM 418 C C . SER A 1 68 ? -9.405 23.014 25.992 1.00 61.24 ? 167 SER A C 1 ATOM 419 O O . SER A 1 68 ? -9.214 22.203 25.084 1.00 58.55 ? 167 SER A O 1 ATOM 420 C CB . SER A 1 68 ? -8.139 25.071 25.418 1.00 60.77 ? 167 SER A CB 1 ATOM 421 O OG . SER A 1 68 ? -9.376 25.704 25.154 1.00 61.77 ? 167 SER A OG 1 ATOM 422 N N . LEU A 1 69 ? -10.574 23.156 26.616 1.00 60.67 ? 168 LEU A N 1 ATOM 423 C CA . LEU A 1 69 ? -11.782 22.453 26.164 1.00 59.86 ? 168 LEU A CA 1 ATOM 424 C C . LEU A 1 69 ? -12.682 23.359 25.338 1.00 57.25 ? 168 LEU A C 1 ATOM 425 O O . LEU A 1 69 ? -13.710 22.916 24.817 1.00 57.24 ? 168 LEU A O 1 ATOM 426 C CB . LEU A 1 69 ? -12.564 21.865 27.348 1.00 64.46 ? 168 LEU A CB 1 ATOM 427 C CG . LEU A 1 69 ? -11.850 20.825 28.218 1.00 67.92 ? 168 LEU A CG 1 ATOM 428 C CD1 . LEU A 1 69 ? -12.761 20.371 29.351 1.00 71.80 ? 168 LEU A CD1 1 ATOM 429 C CD2 . LEU A 1 69 ? -11.362 19.641 27.381 1.00 67.86 ? 168 LEU A CD2 1 ATOM 430 N N . ASN A 1 70 ? -12.290 24.627 25.215 1.00 54.97 ? 169 ASN A N 1 ATOM 431 C CA . ASN A 1 70 ? -12.932 25.545 24.275 1.00 52.93 ? 169 ASN A CA 1 ATOM 432 C C . ASN A 1 70 ? -11.890 26.310 23.456 1.00 50.96 ? 169 ASN A C 1 ATOM 433 O O . ASN A 1 70 ? -11.705 27.517 23.633 1.00 49.08 ? 169 ASN A O 1 ATOM 434 C CB . ASN A 1 70 ? -13.881 26.500 24.996 1.00 55.91 ? 169 ASN A CB 1 ATOM 435 C CG . ASN A 1 70 ? -14.897 25.758 25.848 1.00 58.92 ? 169 ASN A CG 1 ATOM 436 O OD1 . ASN A 1 70 ? -16.009 25.473 25.400 1.00 61.30 ? 169 ASN A OD1 1 ATOM 437 N ND2 . ASN A 1 70 ? -14.500 25.400 27.055 1.00 63.70 ? 169 ASN A ND2 1 ATOM 438 N N . PRO A 1 71 ? -11.209 25.601 22.551 1.00 48.85 ? 170 PRO A N 1 ATOM 439 C CA . PRO A 1 71 ? -10.131 26.205 21.760 1.00 47.24 ? 170 PRO A CA 1 ATOM 440 C C . PRO A 1 71 ? -10.638 27.203 20.727 1.00 45.01 ? 170 PRO A C 1 ATOM 441 O O . PRO A 1 71 ? -11.628 26.934 20.028 1.00 43.17 ? 170 PRO A O 1 ATOM 442 C CB . PRO A 1 71 ? -9.481 25.005 21.056 1.00 45.39 ? 170 PRO A CB 1 ATOM 443 C CG . PRO A 1 71 ? -10.522 23.943 21.069 1.00 45.89 ? 170 PRO A CG 1 ATOM 444 C CD . PRO A 1 71 ? -11.443 24.189 22.205 1.00 48.13 ? 170 PRO A CD 1 ATOM 445 N N . LYS A 1 72 ? -9.917 28.315 20.603 1.00 42.57 ? 171 LYS A N 1 ATOM 446 C CA . LYS A 1 72 ? -10.257 29.358 19.640 1.00 40.71 ? 171 LYS A CA 1 ATOM 447 C C . LYS A 1 72 ? -9.176 29.406 18.566 1.00 39.91 ? 171 LYS A C 1 ATOM 448 O O . LYS A 1 72 ? -8.296 30.260 18.590 1.00 42.06 ? 171 LYS A O 1 ATOM 449 C CB . LYS A 1 72 ? -10.368 30.713 20.348 1.00 41.56 ? 171 LYS A CB 1 ATOM 450 C CG . LYS A 1 72 ? -11.367 30.754 21.499 1.00 47.31 ? 171 LYS A CG 1 ATOM 451 C CD . LYS A 1 72 ? -11.114 31.978 22.384 1.00 55.91 ? 171 LYS A CD 1 ATOM 452 C CE . LYS A 1 72 ? -11.792 31.810 23.728 1.00 66.12 ? 171 LYS A CE 1 ATOM 453 N N . TRP A 1 73 ? -9.229 28.482 17.630 1.00 39.58 ? 172 TRP A N 1 ATOM 454 C CA . TRP A 1 73 ? -8.218 28.436 16.575 1.00 39.63 ? 172 TRP A CA 1 ATOM 455 C C . TRP A 1 73 ? -8.252 29.684 15.716 1.00 40.98 ? 172 TRP A C 1 ATOM 456 O O . TRP A 1 73 ? -7.196 30.251 15.366 1.00 38.70 ? 172 TRP A O 1 ATOM 457 C CB . TRP A 1 73 ? -8.452 27.230 15.678 1.00 37.94 ? 172 TRP A CB 1 ATOM 458 C CG . TRP A 1 73 ? -8.283 25.934 16.381 1.00 40.21 ? 172 TRP A CG 1 ATOM 459 C CD1 . TRP A 1 73 ? -7.099 25.360 16.784 1.00 42.20 ? 172 TRP A CD1 1 ATOM 460 C CD2 . TRP A 1 73 ? -9.320 25.026 16.759 1.00 36.13 ? 172 TRP A CD2 1 ATOM 461 N NE1 . TRP A 1 73 ? -7.345 24.153 17.379 1.00 39.75 ? 172 TRP A NE1 1 ATOM 462 C CE2 . TRP A 1 73 ? -8.695 23.924 17.391 1.00 40.52 ? 172 TRP A CE2 1 ATOM 463 C CE3 . TRP A 1 73 ? -10.723 25.029 16.612 1.00 41.54 ? 172 TRP A CE3 1 ATOM 464 C CZ2 . TRP A 1 73 ? -9.417 22.822 17.867 1.00 40.94 ? 172 TRP A CZ2 1 ATOM 465 C CZ3 . TRP A 1 73 ? -11.447 23.923 17.087 1.00 41.43 ? 172 TRP A CZ3 1 ATOM 466 C CH2 . TRP A 1 73 ? -10.786 22.836 17.700 1.00 42.65 ? 172 TRP A CH2 1 ATOM 467 N N . ASN A 1 74 ? -9.472 30.096 15.368 1.00 37.89 ? 173 ASN A N 1 ATOM 468 C CA . ASN A 1 74 ? -9.683 31.267 14.522 1.00 38.72 ? 173 ASN A CA 1 ATOM 469 C C . ASN A 1 74 ? -8.731 31.265 13.320 1.00 38.96 ? 173 ASN A C 1 ATOM 470 O O . ASN A 1 74 ? -8.009 32.243 13.067 1.00 40.03 ? 173 ASN A O 1 ATOM 471 C CB . ASN A 1 74 ? -9.582 32.558 15.330 1.00 43.48 ? 173 ASN A CB 1 ATOM 472 C CG . ASN A 1 74 ? -10.286 33.702 14.649 1.00 48.41 ? 173 ASN A CG 1 ATOM 473 O OD1 . ASN A 1 74 ? -11.164 33.484 13.812 1.00 49.56 ? 173 ASN A OD1 1 ATOM 474 N ND2 . ASN A 1 74 ? -9.898 34.924 14.977 1.00 54.88 ? 173 ASN A ND2 1 ATOM 475 N N . GLU A 1 75 ? -8.745 30.153 12.588 1.00 34.85 ? 174 GLU A N 1 ATOM 476 C CA . GLU A 1 75 ? -7.809 29.923 11.496 1.00 37.24 ? 174 GLU A CA 1 ATOM 477 C C . GLU A 1 75 ? -8.586 29.748 10.190 1.00 36.60 ? 174 GLU A C 1 ATOM 478 O O . GLU A 1 75 ? -9.643 29.131 10.184 1.00 40.39 ? 174 GLU A O 1 ATOM 479 C CB . GLU A 1 75 ? -7.006 28.659 11.835 1.00 39.36 ? 174 GLU A CB 1 ATOM 480 C CG . GLU A 1 75 ? -5.985 28.264 10.817 1.00 42.40 ? 174 GLU A CG 1 ATOM 481 C CD . GLU A 1 75 ? -4.879 27.313 11.356 1.00 43.67 ? 174 GLU A CD 1 ATOM 482 O OE1 . GLU A 1 75 ? -4.722 27.107 12.603 1.00 44.14 ? 174 GLU A OE1 1 ATOM 483 O OE2 . GLU A 1 75 ? -4.149 26.808 10.465 1.00 53.22 ? 174 GLU A OE2 1 ATOM 484 N N . GLU A 1 76 ? -8.049 30.268 9.089 1.00 36.22 ? 175 GLU A N 1 ATOM 485 C CA . GLU A 1 76 ? -8.692 30.168 7.771 1.00 36.39 ? 175 GLU A CA 1 ATOM 486 C C . GLU A 1 76 ? -7.865 29.284 6.866 1.00 35.26 ? 175 GLU A C 1 ATOM 487 O O . GLU A 1 76 ? -6.630 29.374 6.858 1.00 35.93 ? 175 GLU A O 1 ATOM 488 C CB . GLU A 1 76 ? -8.803 31.544 7.103 1.00 38.18 ? 175 GLU A CB 1 ATOM 489 C CG . GLU A 1 76 ? -9.698 32.509 7.754 1.00 45.03 ? 175 GLU A CG 1 ATOM 490 C CD . GLU A 1 76 ? -10.107 33.650 6.815 1.00 49.60 ? 175 GLU A CD 1 ATOM 491 O OE1 . GLU A 1 76 ? -9.500 33.825 5.721 1.00 50.92 ? 175 GLU A OE1 1 ATOM 492 O OE2 . GLU A 1 76 ? -11.032 34.392 7.190 1.00 51.12 ? 175 GLU A OE2 1 ATOM 493 N N . ILE A 1 77 ? -8.534 28.417 6.115 1.00 33.36 ? 176 ILE A N 1 ATOM 494 C CA . ILE A 1 77 ? -7.859 27.583 5.135 1.00 33.95 ? 176 ILE A CA 1 ATOM 495 C C . ILE A 1 77 ? -8.600 27.719 3.814 1.00 35.65 ? 176 ILE A C 1 ATOM 496 O O . ILE A 1 77 ? -9.837 27.674 3.801 1.00 35.44 ? 176 ILE A O 1 ATOM 497 C CB . ILE A 1 77 ? -7.879 26.106 5.583 1.00 34.24 ? 176 ILE A CB 1 ATOM 498 C CG1 . ILE A 1 77 ? -7.196 25.947 6.955 1.00 36.73 ? 176 ILE A CG1 1 ATOM 499 C CG2 . ILE A 1 77 ? -7.194 25.222 4.537 1.00 34.14 ? 176 ILE A CG2 1 ATOM 500 C CD1 . ILE A 1 77 ? -7.556 24.653 7.690 1.00 38.49 ? 176 ILE A CD1 1 ATOM 501 N N . LEU A 1 78 ? -7.850 27.948 2.721 1.00 33.35 ? 177 LEU A N 1 ATOM 502 C CA . LEU A 1 78 ? -8.451 28.009 1.399 1.00 33.54 ? 177 LEU A CA 1 ATOM 503 C C . LEU A 1 78 ? -8.249 26.699 0.651 1.00 30.86 ? 177 LEU A C 1 ATOM 504 O O . LEU A 1 78 ? -7.127 26.197 0.561 1.00 32.06 ? 177 LEU A O 1 ATOM 505 C CB . LEU A 1 78 ? -7.896 29.172 0.578 1.00 34.09 ? 177 LEU A CB 1 ATOM 506 C CG . LEU A 1 78 ? -8.533 30.553 0.767 1.00 39.37 ? 177 LEU A CG 1 ATOM 507 C CD1 . LEU A 1 78 ? -8.843 30.964 2.196 1.00 41.92 ? 177 LEU A CD1 1 ATOM 508 C CD2 . LEU A 1 78 ? -7.617 31.556 0.081 1.00 37.82 ? 177 LEU A CD2 1 ATOM 509 N N . PHE A 1 79 ? -9.341 26.164 0.100 1.00 32.65 ? 178 PHE A N 1 ATOM 510 C CA . PHE A 1 79 ? -9.273 25.012 -0.797 1.00 31.93 ? 178 PHE A CA 1 ATOM 511 C C . PHE A 1 79 ? -9.841 25.316 -2.168 1.00 33.90 ? 178 PHE A C 1 ATOM 512 O O . PHE A 1 79 ? -10.954 25.891 -2.270 1.00 34.33 ? 178 PHE A O 1 ATOM 513 C CB . PHE A 1 79 ? -10.133 23.866 -0.267 1.00 30.51 ? 178 PHE A CB 1 ATOM 514 C CG . PHE A 1 79 ? -9.660 23.274 1.038 1.00 30.78 ? 178 PHE A CG 1 ATOM 515 C CD1 . PHE A 1 79 ? -8.709 22.256 1.031 1.00 30.33 ? 178 PHE A CD1 1 ATOM 516 C CD2 . PHE A 1 79 ? -10.202 23.688 2.247 1.00 33.68 ? 178 PHE A CD2 1 ATOM 517 C CE1 . PHE A 1 79 ? -8.271 21.656 2.229 1.00 32.81 ? 178 PHE A CE1 1 ATOM 518 C CE2 . PHE A 1 79 ? -9.759 23.097 3.476 1.00 33.14 ? 178 PHE A CE2 1 ATOM 519 C CZ . PHE A 1 79 ? -8.785 22.093 3.447 1.00 32.34 ? 178 PHE A CZ 1 ATOM 520 N N . ARG A 1 80 ? -9.148 24.884 -3.217 1.00 33.92 ? 179 ARG A N 1 ATOM 521 C CA . ARG A 1 80 ? -9.740 24.916 -4.566 1.00 35.14 ? 179 ARG A CA 1 ATOM 522 C C . ARG A 1 80 ? -10.460 23.600 -4.819 1.00 33.98 ? 179 ARG A C 1 ATOM 523 O O . ARG A 1 80 ? -9.860 22.521 -4.703 1.00 35.03 ? 179 ARG A O 1 ATOM 524 C CB . ARG A 1 80 ? -8.683 25.191 -5.632 1.00 36.12 ? 179 ARG A CB 1 ATOM 525 C CG . ARG A 1 80 ? -9.287 25.381 -7.019 1.00 39.54 ? 179 ARG A CG 1 ATOM 526 C CD . ARG A 1 80 ? -8.204 25.592 -8.054 1.00 39.42 ? 179 ARG A CD 1 ATOM 527 N NE . ARG A 1 80 ? -7.626 26.934 -8.012 1.00 45.60 ? 179 ARG A NE 1 ATOM 528 C CZ . ARG A 1 80 ? -6.425 27.247 -7.513 1.00 50.01 ? 179 ARG A CZ 1 ATOM 529 N NH1 . ARG A 1 80 ? -5.641 26.318 -6.950 1.00 45.63 ? 179 ARG A NH1 1 ATOM 530 N NH2 . ARG A 1 80 ? -5.996 28.508 -7.587 1.00 51.02 ? 179 ARG A NH2 1 ATOM 531 N N . VAL A 1 81 ? -11.750 23.694 -5.146 1.00 34.69 ? 180 VAL A N 1 ATOM 532 C CA . VAL A 1 81 ? -12.691 22.546 -5.112 1.00 31.81 ? 180 VAL A CA 1 ATOM 533 C C . VAL A 1 81 ? -13.649 22.482 -6.311 1.00 33.70 ? 180 VAL A C 1 ATOM 534 O O . VAL A 1 81 ? -13.825 23.476 -7.042 1.00 34.22 ? 180 VAL A O 1 ATOM 535 C CB . VAL A 1 81 ? -13.534 22.560 -3.800 1.00 32.34 ? 180 VAL A CB 1 ATOM 536 C CG1 . VAL A 1 81 ? -12.627 22.609 -2.545 1.00 30.14 ? 180 VAL A CG1 1 ATOM 537 C CG2 . VAL A 1 81 ? -14.534 23.731 -3.804 1.00 33.44 ? 180 VAL A CG2 1 ATOM 538 N N . HIS A 1 82 ? -14.242 21.298 -6.534 1.00 34.58 ? 181 HIS A N 1 ATOM 539 C CA . HIS A 1 82 ? -15.429 21.154 -7.382 1.00 37.69 ? 181 HIS A CA 1 ATOM 540 C C . HIS A 1 82 ? -16.592 21.183 -6.396 1.00 37.47 ? 181 HIS A C 1 ATOM 541 O O . HIS A 1 82 ? -16.871 20.183 -5.755 1.00 37.22 ? 181 HIS A O 1 ATOM 542 C CB . HIS A 1 82 ? -15.430 19.797 -8.100 1.00 40.40 ? 181 HIS A CB 1 ATOM 543 C CG . HIS A 1 82 ? -14.351 19.651 -9.122 1.00 42.88 ? 181 HIS A CG 1 ATOM 544 N ND1 . HIS A 1 82 ? -14.110 20.598 -10.089 1.00 49.44 ? 181 HIS A ND1 1 ATOM 545 C CD2 . HIS A 1 82 ? -13.456 18.656 -9.335 1.00 48.36 ? 181 HIS A CD2 1 ATOM 546 C CE1 . HIS A 1 82 ? -13.112 20.195 -10.859 1.00 50.56 ? 181 HIS A CE1 1 ATOM 547 N NE2 . HIS A 1 82 ? -12.690 19.026 -10.412 1.00 47.13 ? 181 HIS A NE2 1 ATOM 548 N N . PRO A 1 83 ? -17.262 22.340 -6.257 1.00 38.37 ? 182 PRO A N 1 ATOM 549 C CA . PRO A 1 83 ? -18.185 22.490 -5.114 1.00 38.66 ? 182 PRO A CA 1 ATOM 550 C C . PRO A 1 83 ? -19.331 21.504 -5.042 1.00 38.01 ? 182 PRO A C 1 ATOM 551 O O . PRO A 1 83 ? -19.798 21.216 -3.922 1.00 37.10 ? 182 PRO A O 1 ATOM 552 C CB . PRO A 1 83 ? -18.737 23.917 -5.250 1.00 41.23 ? 182 PRO A CB 1 ATOM 553 C CG . PRO A 1 83 ? -18.154 24.495 -6.467 1.00 43.13 ? 182 PRO A CG 1 ATOM 554 C CD . PRO A 1 83 ? -17.145 23.553 -7.066 1.00 40.58 ? 182 PRO A CD 1 ATOM 555 N N . GLN A 1 84 ? -19.782 20.986 -6.200 1.00 38.78 ? 183 GLN A N 1 ATOM 556 C CA . GLN A 1 84 ? -20.919 20.066 -6.182 1.00 41.34 ? 183 GLN A CA 1 ATOM 557 C C . GLN A 1 84 ? -20.540 18.614 -6.028 1.00 41.88 ? 183 GLN A C 1 ATOM 558 O O . GLN A 1 84 ? -21.410 17.761 -5.943 1.00 45.39 ? 183 GLN A O 1 ATOM 559 C CB . GLN A 1 84 ? -21.812 20.266 -7.405 1.00 43.24 ? 183 GLN A CB 1 ATOM 560 C CG . GLN A 1 84 ? -22.391 21.670 -7.406 1.00 50.48 ? 183 GLN A CG 1 ATOM 561 C CD . GLN A 1 84 ? -21.860 22.514 -8.551 1.00 60.54 ? 183 GLN A CD 1 ATOM 562 O OE1 . GLN A 1 84 ? -20.658 22.513 -8.862 1.00 58.91 ? 183 GLN A OE1 1 ATOM 563 N NE2 . GLN A 1 84 ? -22.759 23.235 -9.192 1.00 64.61 ? 183 GLN A NE2 1 ATOM 564 N N . GLN A 1 85 ? -19.245 18.343 -5.991 1.00 37.99 ? 184 GLN A N 1 ATOM 565 C CA . GLN A 1 85 ? -18.707 16.984 -5.973 1.00 40.73 ? 184 GLN A CA 1 ATOM 566 C C . GLN A 1 85 ? -17.899 16.752 -4.695 1.00 37.21 ? 184 GLN A C 1 ATOM 567 O O . GLN A 1 85 ? -18.079 15.746 -4.020 1.00 36.84 ? 184 GLN A O 1 ATOM 568 C CB . GLN A 1 85 ? -17.807 16.843 -7.198 1.00 43.11 ? 184 GLN A CB 1 ATOM 569 C CG . GLN A 1 85 ? -16.968 15.622 -7.323 1.00 46.46 ? 184 GLN A CG 1 ATOM 570 C CD . GLN A 1 85 ? -16.196 15.594 -8.662 1.00 53.09 ? 184 GLN A CD 1 ATOM 571 O OE1 . GLN A 1 85 ? -15.012 15.240 -8.702 1.00 57.26 ? 184 GLN A OE1 1 ATOM 572 N NE2 . GLN A 1 85 ? -16.876 15.969 -9.763 1.00 54.43 ? 184 GLN A NE2 1 ATOM 573 N N . HIS A 1 86 ? -17.003 17.685 -4.380 1.00 33.64 ? 185 HIS A N 1 ATOM 574 C CA . HIS A 1 86 ? -16.132 17.525 -3.210 1.00 32.45 ? 185 HIS A CA 1 ATOM 575 C C . HIS A 1 86 ? -16.865 17.753 -1.885 1.00 32.02 ? 185 HIS A C 1 ATOM 576 O O . HIS A 1 86 ? -17.888 18.450 -1.830 1.00 32.32 ? 185 HIS A O 1 ATOM 577 C CB . HIS A 1 86 ? -14.946 18.478 -3.284 1.00 31.31 ? 185 HIS A CB 1 ATOM 578 C CG . HIS A 1 86 ? -13.899 18.068 -4.279 1.00 38.42 ? 185 HIS A CG 1 ATOM 579 N ND1 . HIS A 1 86 ? -13.373 18.935 -5.208 1.00 39.94 ? 185 HIS A ND1 1 ATOM 580 C CD2 . HIS A 1 86 ? -13.287 16.878 -4.491 1.00 45.38 ? 185 HIS A CD2 1 ATOM 581 C CE1 . HIS A 1 86 ? -12.499 18.294 -5.967 1.00 43.45 ? 185 HIS A CE1 1 ATOM 582 N NE2 . HIS A 1 86 ? -12.430 17.041 -5.554 1.00 44.98 ? 185 HIS A NE2 1 ATOM 583 N N . ARG A 1 87 ? -16.334 17.152 -0.826 1.00 31.11 ? 186 ARG A N 1 ATOM 584 C CA . ARG A 1 87 ? -16.843 17.378 0.533 1.00 30.67 ? 186 ARG A CA 1 ATOM 585 C C . ARG A 1 87 ? -15.680 17.613 1.488 1.00 31.14 ? 186 ARG A C 1 ATOM 586 O O . ARG A 1 87 ? -14.518 17.300 1.149 1.00 30.13 ? 186 ARG A O 1 ATOM 587 C CB . ARG A 1 87 ? -17.620 16.155 1.016 1.00 31.98 ? 186 ARG A CB 1 ATOM 588 C CG . ARG A 1 87 ? -18.922 15.817 0.226 1.00 33.79 ? 186 ARG A CG 1 ATOM 589 C CD . ARG A 1 87 ? -19.623 14.605 0.823 1.00 32.63 ? 186 ARG A CD 1 ATOM 590 N NE . ARG A 1 87 ? -20.173 14.895 2.167 1.00 32.58 ? 186 ARG A NE 1 ATOM 591 C CZ . ARG A 1 87 ? -21.335 15.486 2.426 1.00 36.65 ? 186 ARG A CZ 1 ATOM 592 N NH1 . ARG A 1 87 ? -22.173 15.840 1.464 1.00 36.54 ? 186 ARG A NH1 1 ATOM 593 N NH2 . ARG A 1 87 ? -21.682 15.710 3.681 1.00 37.54 ? 186 ARG A NH2 1 ATOM 594 N N . LEU A 1 88 ? -16.001 18.098 2.698 1.00 29.90 ? 187 LEU A N 1 ATOM 595 C CA . LEU A 1 88 ? -14.997 18.322 3.749 1.00 31.82 ? 187 LEU A CA 1 ATOM 596 C C . LEU A 1 88 ? -15.317 17.482 4.969 1.00 30.67 ? 187 LEU A C 1 ATOM 597 O O . LEU A 1 88 ? -16.478 17.450 5.425 1.00 33.23 ? 187 LEU A O 1 ATOM 598 C CB . LEU A 1 88 ? -15.031 19.803 4.154 1.00 30.45 ? 187 LEU A CB 1 ATOM 599 C CG . LEU A 1 88 ? -13.939 20.803 3.782 1.00 38.40 ? 187 LEU A CG 1 ATOM 600 C CD1 . LEU A 1 88 ? -12.953 20.453 2.636 1.00 34.38 ? 187 LEU A CD1 1 ATOM 601 C CD2 . LEU A 1 88 ? -14.429 22.263 3.796 1.00 35.26 ? 187 LEU A CD2 1 ATOM 602 N N . LEU A 1 89 ? -14.303 16.795 5.498 1.00 31.02 ? 188 LEU A N 1 ATOM 603 C CA . LEU A 1 89 ? -14.421 16.054 6.750 1.00 31.25 ? 188 LEU A CA 1 ATOM 604 C C . LEU A 1 89 ? -13.536 16.772 7.758 1.00 33.78 ? 188 LEU A C 1 ATOM 605 O O . LEU A 1 89 ? -12.331 16.884 7.543 1.00 34.51 ? 188 LEU A O 1 ATOM 606 C CB . LEU A 1 89 ? -13.958 14.589 6.572 1.00 32.77 ? 188 LEU A CB 1 ATOM 607 C CG . LEU A 1 89 ? -13.797 13.762 7.858 1.00 37.41 ? 188 LEU A CG 1 ATOM 608 C CD1 . LEU A 1 89 ? -15.141 13.612 8.604 1.00 38.30 ? 188 LEU A CD1 1 ATOM 609 C CD2 . LEU A 1 89 ? -13.206 12.372 7.565 1.00 40.02 ? 188 LEU A CD2 1 ATOM 610 N N . PHE A 1 90 ? -14.135 17.255 8.855 1.00 32.20 ? 189 PHE A N 1 ATOM 611 C CA . PHE A 1 90 ? -13.374 17.886 9.940 1.00 32.75 ? 189 PHE A CA 1 ATOM 612 C C . PHE A 1 90 ? -13.231 16.859 11.053 1.00 33.53 ? 189 PHE A C 1 ATOM 613 O O . PHE A 1 90 ? -14.237 16.301 11.487 1.00 36.42 ? 189 PHE A O 1 ATOM 614 C CB . PHE A 1 90 ? -14.110 19.102 10.495 1.00 31.31 ? 189 PHE A CB 1 ATOM 615 C CG . PHE A 1 90 ? -14.325 20.208 9.485 1.00 30.56 ? 189 PHE A CG 1 ATOM 616 C CD1 . PHE A 1 90 ? -15.343 20.129 8.549 1.00 31.36 ? 189 PHE A CD1 1 ATOM 617 C CD2 . PHE A 1 90 ? -13.525 21.334 9.504 1.00 30.37 ? 189 PHE A CD2 1 ATOM 618 C CE1 . PHE A 1 90 ? -15.528 21.148 7.617 1.00 30.43 ? 189 PHE A CE1 1 ATOM 619 C CE2 . PHE A 1 90 ? -13.723 22.388 8.580 1.00 33.33 ? 189 PHE A CE2 1 ATOM 620 C CZ . PHE A 1 90 ? -14.713 22.278 7.645 1.00 29.21 ? 189 PHE A CZ 1 ATOM 621 N N . GLU A 1 91 ? -11.998 16.574 11.482 1.00 33.82 ? 190 GLU A N 1 ATOM 622 C CA . GLU A 1 91 ? -11.796 15.654 12.640 1.00 35.90 ? 190 GLU A CA 1 ATOM 623 C C . GLU A 1 91 ? -10.968 16.398 13.684 1.00 37.15 ? 190 GLU A C 1 ATOM 624 O O . GLU A 1 91 ? -9.868 16.904 13.388 1.00 34.63 ? 190 GLU A O 1 ATOM 625 C CB . GLU A 1 91 ? -11.046 14.397 12.227 1.00 38.45 ? 190 GLU A CB 1 ATOM 626 C CG . GLU A 1 91 ? -11.685 13.542 11.140 1.00 39.65 ? 190 GLU A CG 1 ATOM 627 C CD . GLU A 1 91 ? -10.756 12.430 10.700 1.00 43.74 ? 190 GLU A CD 1 ATOM 628 O OE1 . GLU A 1 91 ? -9.687 12.730 10.095 1.00 43.80 ? 190 GLU A OE1 1 ATOM 629 O OE2 . GLU A 1 91 ? -11.089 11.249 10.952 1.00 48.10 ? 190 GLU A OE2 1 ATOM 630 N N . VAL A 1 92 ? -11.493 16.460 14.902 1.00 37.40 ? 191 VAL A N 1 ATOM 631 C CA . VAL A 1 92 ? -10.813 17.142 16.005 1.00 38.92 ? 191 VAL A CA 1 ATOM 632 C C . VAL A 1 92 ? -10.061 16.084 16.795 1.00 40.56 ? 191 VAL A C 1 ATOM 633 O O . VAL A 1 92 ? -10.613 14.998 17.067 1.00 41.01 ? 191 VAL A O 1 ATOM 634 C CB . VAL A 1 92 ? -11.834 17.888 16.906 1.00 40.42 ? 191 VAL A CB 1 ATOM 635 C CG1 . VAL A 1 92 ? -11.116 18.720 17.986 1.00 40.84 ? 191 VAL A CG1 1 ATOM 636 C CG2 . VAL A 1 92 ? -12.728 18.820 16.037 1.00 39.10 ? 191 VAL A CG2 1 ATOM 637 N N . PHE A 1 93 ? -8.802 16.389 17.136 1.00 40.37 ? 192 PHE A N 1 ATOM 638 C CA . PHE A 1 93 ? -7.960 15.475 17.921 1.00 44.35 ? 192 PHE A CA 1 ATOM 639 C C . PHE A 1 93 ? -7.296 16.219 19.080 1.00 46.92 ? 192 PHE A C 1 ATOM 640 O O . PHE A 1 93 ? -7.072 17.443 19.010 1.00 45.83 ? 192 PHE A O 1 ATOM 641 C CB . PHE A 1 93 ? -6.842 14.871 17.067 1.00 44.19 ? 192 PHE A CB 1 ATOM 642 C CG . PHE A 1 93 ? -7.312 13.929 15.992 1.00 43.98 ? 192 PHE A CG 1 ATOM 643 C CD1 . PHE A 1 93 ? -7.579 14.395 14.697 1.00 44.13 ? 192 PHE A CD1 1 ATOM 644 C CD2 . PHE A 1 93 ? -7.454 12.574 16.264 1.00 51.30 ? 192 PHE A CD2 1 ATOM 645 C CE1 . PHE A 1 93 ? -7.993 13.504 13.690 1.00 44.74 ? 192 PHE A CE1 1 ATOM 646 C CE2 . PHE A 1 93 ? -7.874 11.690 15.273 1.00 49.25 ? 192 PHE A CE2 1 ATOM 647 C CZ . PHE A 1 93 ? -8.144 12.159 13.998 1.00 45.78 ? 192 PHE A CZ 1 ATOM 648 N N . ASP A 1 94 ? -6.919 15.444 20.094 1.00 50.39 ? 193 ASP A N 1 ATOM 649 C CA . ASP A 1 94 ? -6.155 15.909 21.225 1.00 54.28 ? 193 ASP A CA 1 ATOM 650 C C . ASP A 1 94 ? -4.720 15.421 21.002 1.00 55.74 ? 193 ASP A C 1 ATOM 651 O O . ASP A 1 94 ? -4.477 14.225 20.951 1.00 55.53 ? 193 ASP A O 1 ATOM 652 C CB . ASP A 1 94 ? -6.779 15.316 22.482 1.00 56.29 ? 193 ASP A CB 1 ATOM 653 C CG . ASP A 1 94 ? -6.008 15.636 23.730 1.00 65.14 ? 193 ASP A CG 1 ATOM 654 O OD1 . ASP A 1 94 ? -5.555 16.787 23.895 1.00 66.96 ? 193 ASP A OD1 1 ATOM 655 O OD2 . ASP A 1 94 ? -5.862 14.720 24.554 1.00 66.05 ? 193 ASP A OD2 1 ATOM 656 N N . GLU A 1 95 ? -3.790 16.350 20.794 1.00 55.83 ? 194 GLU A N 1 ATOM 657 C CA . GLU A 1 95 ? -2.403 16.000 20.480 1.00 59.52 ? 194 GLU A CA 1 ATOM 658 C C . GLU A 1 95 ? -1.701 15.489 21.722 1.00 64.25 ? 194 GLU A C 1 ATOM 659 O O . GLU A 1 95 ? -1.585 16.209 22.714 1.00 65.03 ? 194 GLU A O 1 ATOM 660 C CB . GLU A 1 95 ? -1.643 17.208 19.914 1.00 59.66 ? 194 GLU A CB 1 ATOM 661 C CG . GLU A 1 95 ? -0.283 16.885 19.286 1.00 63.61 ? 194 GLU A CG 1 ATOM 662 C CD . GLU A 1 95 ? 0.136 17.930 18.251 1.00 67.27 ? 194 GLU A CD 1 ATOM 663 O OE1 . GLU A 1 95 ? 0.531 19.044 18.661 1.00 66.08 ? 194 GLU A OE1 1 ATOM 664 O OE2 . GLU A 1 95 ? 0.058 17.638 17.022 1.00 70.27 ? 194 GLU A OE2 1 ATOM 665 N N . ASN A 1 96 ? -1.243 14.243 21.659 1.00 67.72 ? 195 ASN A N 1 ATOM 666 C CA . ASN A 1 96 ? -0.440 13.647 22.719 1.00 73.93 ? 195 ASN A CA 1 ATOM 667 C C . ASN A 1 96 ? 0.992 13.485 22.250 1.00 76.19 ? 195 ASN A C 1 ATOM 668 O O . ASN A 1 96 ? 1.227 12.982 21.150 1.00 74.76 ? 195 ASN A O 1 ATOM 669 C CB . ASN A 1 96 ? -1.032 12.303 23.133 1.00 76.01 ? 195 ASN A CB 1 ATOM 670 C CG . ASN A 1 96 ? -2.429 12.442 23.699 1.00 76.17 ? 195 ASN A CG 1 ATOM 671 O OD1 . ASN A 1 96 ? -2.688 13.305 24.545 1.00 75.36 ? 195 ASN A OD1 1 ATOM 672 N ND2 . ASN A 1 96 ? -3.342 11.601 23.228 1.00 74.77 ? 195 ASN A ND2 1 ATOM 673 N N . ARG A 1 97 ? 1.937 13.918 23.086 1.00 88.89 ? 196 ARG A N 1 ATOM 674 C CA . ARG A 1 97 ? 3.348 14.014 22.713 1.00 92.45 ? 196 ARG A CA 1 ATOM 675 C C . ARG A 1 97 ? 4.018 12.662 22.480 1.00 95.44 ? 196 ARG A C 1 ATOM 676 O O . ARG A 1 97 ? 4.829 12.527 21.563 1.00 97.22 ? 196 ARG A O 1 ATOM 677 C CB . ARG A 1 97 ? 4.135 14.799 23.772 1.00 98.98 ? 196 ARG A CB 1 ATOM 678 N N . LEU A 1 98 ? 3.679 11.670 23.299 1.00 96.51 ? 197 LEU A N 1 ATOM 679 C CA . LEU A 1 98 ? 4.393 10.390 23.277 1.00 101.38 ? 197 LEU A CA 1 ATOM 680 C C . LEU A 1 98 ? 3.546 9.189 22.842 1.00 98.99 ? 197 LEU A C 1 ATOM 681 O O . LEU A 1 98 ? 4.046 8.061 22.811 1.00 103.84 ? 197 LEU A O 1 ATOM 682 C CB . LEU A 1 98 ? 5.047 10.120 24.643 1.00 107.28 ? 197 LEU A CB 1 ATOM 683 N N . THR A 1 99 ? 2.278 9.430 22.509 1.00 92.49 ? 198 THR A N 1 ATOM 684 C CA . THR A 1 99 ? 1.339 8.360 22.151 1.00 90.53 ? 198 THR A CA 1 ATOM 685 C C . THR A 1 99 ? 0.422 8.774 21.003 1.00 83.69 ? 198 THR A C 1 ATOM 686 O O . THR A 1 99 ? 0.614 9.826 20.399 1.00 79.58 ? 198 THR A O 1 ATOM 687 C CB . THR A 1 99 ? 0.439 7.968 23.349 1.00 93.22 ? 198 THR A CB 1 ATOM 688 O OG1 . THR A 1 99 ? -0.005 9.158 24.019 1.00 93.52 ? 198 THR A OG1 1 ATOM 689 C CG2 . THR A 1 99 ? 1.173 7.059 24.326 1.00 98.54 ? 198 THR A CG2 1 ATOM 690 N N . ARG A 1 100 ? -0.578 7.942 20.720 1.00 81.21 ? 199 ARG A N 1 ATOM 691 C CA . ARG A 1 100 ? -1.603 8.260 19.742 1.00 75.67 ? 199 ARG A CA 1 ATOM 692 C C . ARG A 1 100 ? -2.432 9.472 20.195 1.00 71.58 ? 199 ARG A C 1 ATOM 693 O O . ARG A 1 100 ? -2.698 9.641 21.392 1.00 71.51 ? 199 ARG A O 1 ATOM 694 C CB . ARG A 1 100 ? -2.500 7.037 19.524 1.00 78.10 ? 199 ARG A CB 1 ATOM 695 N N . ASP A 1 101 ? -2.810 10.325 19.240 1.00 65.95 ? 200 ASP A N 1 ATOM 696 C CA . ASP A 1 101 ? -3.725 11.437 19.515 1.00 63.24 ? 200 ASP A CA 1 ATOM 697 C C . ASP A 1 101 ? -5.157 10.914 19.657 1.00 61.11 ? 200 ASP A C 1 ATOM 698 O O . ASP A 1 101 ? -5.606 10.102 18.853 1.00 61.55 ? 200 ASP A O 1 ATOM 699 C CB . ASP A 1 101 ? -3.690 12.472 18.389 1.00 58.20 ? 200 ASP A CB 1 ATOM 700 C CG . ASP A 1 101 ? -2.334 13.118 18.226 1.00 61.11 ? 200 ASP A CG 1 ATOM 701 O OD1 . ASP A 1 101 ? -1.479 13.028 19.140 1.00 62.32 ? 200 ASP A OD1 1 ATOM 702 O OD2 . ASP A 1 101 ? -2.119 13.730 17.163 1.00 60.86 ? 200 ASP A OD2 1 ATOM 703 N N . ASP A 1 102 ? -5.865 11.397 20.674 1.00 61.18 ? 201 ASP A N 1 ATOM 704 C CA . ASP A 1 102 ? -7.227 10.965 20.959 1.00 60.01 ? 201 ASP A CA 1 ATOM 705 C C . ASP A 1 102 ? -8.211 11.744 20.106 1.00 54.49 ? 201 ASP A C 1 ATOM 706 O O . ASP A 1 102 ? -8.043 12.940 19.865 1.00 51.13 ? 201 ASP A O 1 ATOM 707 C CB . ASP A 1 102 ? -7.559 11.166 22.437 1.00 64.82 ? 201 ASP A CB 1 ATOM 708 C CG . ASP A 1 102 ? -6.656 10.356 23.351 1.00 72.78 ? 201 ASP A CG 1 ATOM 709 O OD1 . ASP A 1 102 ? -6.637 9.114 23.222 1.00 76.88 ? 201 ASP A OD1 1 ATOM 710 O OD2 . ASP A 1 102 ? -5.966 10.960 24.197 1.00 80.28 ? 201 ASP A OD2 1 ATOM 711 N N . PHE A 1 103 ? -9.252 11.053 19.674 1.00 53.81 ? 202 PHE A N 1 ATOM 712 C CA . PHE A 1 103 ? -10.220 11.611 18.747 1.00 50.20 ? 202 PHE A CA 1 ATOM 713 C C . PHE A 1 103 ? -11.273 12.349 19.563 1.00 51.11 ? 202 PHE A C 1 ATOM 714 O O . PHE A 1 103 ? -11.749 11.826 20.565 1.00 54.08 ? 202 PHE A O 1 ATOM 715 C CB . PHE A 1 103 ? -10.834 10.452 17.950 1.00 50.96 ? 202 PHE A CB 1 ATOM 716 C CG . PHE A 1 103 ? -11.954 10.851 17.044 1.00 45.57 ? 202 PHE A CG 1 ATOM 717 C CD1 . PHE A 1 103 ? -11.696 11.436 15.813 1.00 45.46 ? 202 PHE A CD1 1 ATOM 718 C CD2 . PHE A 1 103 ? -13.274 10.600 17.413 1.00 47.30 ? 202 PHE A CD2 1 ATOM 719 C CE1 . PHE A 1 103 ? -12.737 11.796 14.974 1.00 44.99 ? 202 PHE A CE1 1 ATOM 720 C CE2 . PHE A 1 103 ? -14.327 10.939 16.580 1.00 44.36 ? 202 PHE A CE2 1 ATOM 721 C CZ . PHE A 1 103 ? -14.061 11.536 15.351 1.00 45.40 ? 202 PHE A CZ 1 ATOM 722 N N . LEU A 1 104 ? -11.610 13.573 19.159 1.00 49.03 ? 203 LEU A N 1 ATOM 723 C CA . LEU A 1 104 ? -12.625 14.360 19.874 1.00 50.09 ? 203 LEU A CA 1 ATOM 724 C C . LEU A 1 104 ? -13.873 14.640 19.023 1.00 46.92 ? 203 LEU A C 1 ATOM 725 O O . LEU A 1 104 ? -14.796 15.318 19.486 1.00 49.37 ? 203 LEU A O 1 ATOM 726 C CB . LEU A 1 104 ? -12.038 15.676 20.417 1.00 51.18 ? 203 LEU A CB 1 ATOM 727 C CG . LEU A 1 104 ? -11.422 15.807 21.810 1.00 59.22 ? 203 LEU A CG 1 ATOM 728 C CD1 . LEU A 1 104 ? -11.017 14.488 22.414 1.00 65.06 ? 203 LEU A CD1 1 ATOM 729 C CD2 . LEU A 1 104 ? -10.249 16.775 21.763 1.00 60.91 ? 203 LEU A CD2 1 ATOM 730 N N . GLY A 1 105 ? -13.917 14.114 17.801 1.00 43.38 ? 204 GLY A N 1 ATOM 731 C CA . GLY A 1 105 ? -15.171 14.164 17.022 1.00 41.46 ? 204 GLY A CA 1 ATOM 732 C C . GLY A 1 105 ? -15.018 14.666 15.603 1.00 39.88 ? 204 GLY A C 1 ATOM 733 O O . GLY A 1 105 ? -13.987 15.246 15.253 1.00 38.05 ? 204 GLY A O 1 ATOM 734 N N . GLN A 1 106 ? -16.049 14.442 14.791 1.00 38.12 ? 205 GLN A N 1 ATOM 735 C CA . GLN A 1 106 ? -15.988 14.796 13.364 1.00 36.58 ? 205 GLN A CA 1 ATOM 736 C C . GLN A 1 106 ? -17.261 15.481 12.867 1.00 35.84 ? 205 GLN A C 1 ATOM 737 O O . GLN A 1 106 ? -18.339 15.316 13.441 1.00 38.25 ? 205 GLN A O 1 ATOM 738 C CB . GLN A 1 106 ? -15.679 13.585 12.487 1.00 36.63 ? 205 GLN A CB 1 ATOM 739 C CG . GLN A 1 106 ? -16.824 12.554 12.422 1.00 38.42 ? 205 GLN A CG 1 ATOM 740 C CD . GLN A 1 106 ? -16.584 11.486 11.380 1.00 43.36 ? 205 GLN A CD 1 ATOM 741 O OE1 . GLN A 1 106 ? -17.335 11.353 10.417 1.00 52.32 ? 205 GLN A OE1 1 ATOM 742 N NE2 . GLN A 1 106 ? -15.530 10.732 11.557 1.00 37.96 ? 205 GLN A NE2 1 ATOM 743 N N . VAL A 1 107 ? -17.113 16.220 11.771 1.00 33.82 ? 206 VAL A N 1 ATOM 744 C CA . VAL A 1 107 ? -18.232 16.901 11.096 1.00 33.19 ? 206 VAL A CA 1 ATOM 745 C C . VAL A 1 107 ? -17.976 16.666 9.617 1.00 34.02 ? 206 VAL A C 1 ATOM 746 O O . VAL A 1 107 ? -16.828 16.787 9.180 1.00 33.46 ? 206 VAL A O 1 ATOM 747 C CB . VAL A 1 107 ? -18.199 18.431 11.389 1.00 32.96 ? 206 VAL A CB 1 ATOM 748 C CG1 . VAL A 1 107 ? -19.067 19.251 10.409 1.00 33.70 ? 206 VAL A CG1 1 ATOM 749 C CG2 . VAL A 1 107 ? -18.614 18.720 12.864 1.00 37.10 ? 206 VAL A CG2 1 ATOM 750 N N . ASP A 1 108 ? -19.013 16.322 8.850 1.00 33.90 ? 207 ASP A N 1 ATOM 751 C CA . ASP A 1 108 ? -18.832 16.063 7.411 1.00 33.13 ? 207 ASP A CA 1 ATOM 752 C C . ASP A 1 108 ? -19.843 16.904 6.643 1.00 36.04 ? 207 ASP A C 1 ATOM 753 O O . ASP A 1 108 ? -21.055 16.760 6.865 1.00 35.34 ? 207 ASP A O 1 ATOM 754 C CB . ASP A 1 108 ? -19.031 14.581 7.122 1.00 33.15 ? 207 ASP A CB 1 ATOM 755 C CG . ASP A 1 108 ? -18.669 14.222 5.694 1.00 35.70 ? 207 ASP A CG 1 ATOM 756 O OD1 . ASP A 1 108 ? -19.297 14.795 4.791 1.00 37.78 ? 207 ASP A OD1 1 ATOM 757 O OD2 . ASP A 1 108 ? -17.807 13.332 5.476 1.00 39.66 ? 207 ASP A OD2 1 ATOM 758 N N . VAL A 1 109 ? -19.368 17.779 5.757 1.00 34.94 ? 208 VAL A N 1 ATOM 759 C CA . VAL A 1 109 ? -20.260 18.752 5.065 1.00 35.74 ? 208 VAL A CA 1 ATOM 760 C C . VAL A 1 109 ? -20.030 18.831 3.557 1.00 35.24 ? 208 VAL A C 1 ATOM 761 O O . VAL A 1 109 ? -18.889 18.611 3.090 1.00 31.10 ? 208 VAL A O 1 ATOM 762 C CB . VAL A 1 109 ? -20.144 20.222 5.666 1.00 36.28 ? 208 VAL A CB 1 ATOM 763 C CG1 . VAL A 1 109 ? -20.642 20.253 7.090 1.00 35.90 ? 208 VAL A CG1 1 ATOM 764 C CG2 . VAL A 1 109 ? -18.708 20.774 5.577 1.00 38.76 ? 208 VAL A CG2 1 ATOM 765 N N . PRO A 1 110 ? -21.107 19.165 2.790 1.00 36.62 ? 209 PRO A N 1 ATOM 766 C CA . PRO A 1 110 ? -20.981 19.423 1.358 1.00 37.43 ? 209 PRO A CA 1 ATOM 767 C C . PRO A 1 110 ? -20.386 20.818 1.160 1.00 37.22 ? 209 PRO A C 1 ATOM 768 O O . PRO A 1 110 ? -20.322 21.602 2.127 1.00 36.28 ? 209 PRO A O 1 ATOM 769 C CB . PRO A 1 110 ? -22.435 19.427 0.863 1.00 38.85 ? 209 PRO A CB 1 ATOM 770 C CG . PRO A 1 110 ? -23.215 19.862 2.013 1.00 39.34 ? 209 PRO A CG 1 ATOM 771 C CD . PRO A 1 110 ? -22.493 19.401 3.259 1.00 38.71 ? 209 PRO A CD 1 ATOM 772 N N . LEU A 1 111 ? -20.037 21.135 -0.084 1.00 36.55 ? 210 LEU A N 1 ATOM 773 C CA . LEU A 1 111 ? -19.439 22.425 -0.414 1.00 35.87 ? 210 LEU A CA 1 ATOM 774 C C . LEU A 1 111 ? -20.310 23.284 -1.368 1.00 38.46 ? 210 LEU A C 1 ATOM 775 O O . LEU A 1 111 ? -19.848 24.281 -1.944 1.00 39.23 ? 210 LEU A O 1 ATOM 776 C CB . LEU A 1 111 ? -18.040 22.184 -0.964 1.00 32.45 ? 210 LEU A CB 1 ATOM 777 C CG . LEU A 1 111 ? -16.974 21.720 0.017 1.00 34.61 ? 210 LEU A CG 1 ATOM 778 C CD1 . LEU A 1 111 ? -15.736 21.314 -0.729 1.00 33.84 ? 210 LEU A CD1 1 ATOM 779 C CD2 . LEU A 1 111 ? -16.669 22.870 0.969 1.00 40.41 ? 210 LEU A CD2 1 ATOM 780 N N . TYR A 1 112 ? -21.572 22.913 -1.507 1.00 40.67 ? 211 TYR A N 1 ATOM 781 C CA . TYR A 1 112 ? -22.541 23.673 -2.305 1.00 47.12 ? 211 TYR A CA 1 ATOM 782 C C . TYR A 1 112 ? -23.901 23.348 -1.720 1.00 49.87 ? 211 TYR A C 1 ATOM 783 O O . TYR A 1 112 ? -24.156 22.174 -1.396 1.00 49.81 ? 211 TYR A O 1 ATOM 784 C CB . TYR A 1 112 ? -22.502 23.224 -3.782 1.00 50.51 ? 211 TYR A CB 1 ATOM 785 C CG . TYR A 1 112 ? -23.385 24.023 -4.738 1.00 57.31 ? 211 TYR A CG 1 ATOM 786 C CD1 . TYR A 1 112 ? -24.672 23.598 -5.029 1.00 58.72 ? 211 TYR A CD1 1 ATOM 787 C CD2 . TYR A 1 112 ? -22.926 25.203 -5.350 1.00 59.78 ? 211 TYR A CD2 1 ATOM 788 C CE1 . TYR A 1 112 ? -25.505 24.323 -5.904 1.00 66.44 ? 211 TYR A CE1 1 ATOM 789 C CE2 . TYR A 1 112 ? -23.760 25.947 -6.234 1.00 61.50 ? 211 TYR A CE2 1 ATOM 790 C CZ . TYR A 1 112 ? -25.045 25.490 -6.505 1.00 64.55 ? 211 TYR A CZ 1 ATOM 791 O OH . TYR A 1 112 ? -25.898 26.189 -7.370 1.00 71.98 ? 211 TYR A OH 1 ATOM 792 N N . PRO A 1 113 ? -24.781 24.362 -1.581 1.00 51.03 ? 212 PRO A N 1 ATOM 793 C CA . PRO A 1 113 ? -24.554 25.794 -1.842 1.00 52.64 ? 212 PRO A CA 1 ATOM 794 C C . PRO A 1 113 ? -23.869 26.516 -0.690 1.00 50.44 ? 212 PRO A C 1 ATOM 795 O O . PRO A 1 113 ? -24.057 26.138 0.475 1.00 50.76 ? 212 PRO A O 1 ATOM 796 C CB . PRO A 1 113 ? -25.984 26.349 -2.018 1.00 57.33 ? 212 PRO A CB 1 ATOM 797 C CG . PRO A 1 113 ? -26.830 25.476 -1.168 1.00 57.37 ? 212 PRO A CG 1 ATOM 798 C CD . PRO A 1 113 ? -26.178 24.097 -1.169 1.00 54.55 ? 212 PRO A CD 1 ATOM 799 N N . LEU A 1 114 ? -23.101 27.551 -1.023 1.00 48.97 ? 213 LEU A N 1 ATOM 800 C CA . LEU A 1 114 ? -22.440 28.420 -0.040 1.00 47.61 ? 213 LEU A CA 1 ATOM 801 C C . LEU A 1 114 ? -22.488 29.844 -0.576 1.00 50.20 ? 213 LEU A C 1 ATOM 802 O O . LEU A 1 114 ? -22.514 30.033 -1.791 1.00 51.90 ? 213 LEU A O 1 ATOM 803 C CB . LEU A 1 114 ? -20.964 28.016 0.199 1.00 42.81 ? 213 LEU A CB 1 ATOM 804 C CG . LEU A 1 114 ? -20.609 26.661 0.822 1.00 45.09 ? 213 LEU A CG 1 ATOM 805 C CD1 . LEU A 1 114 ? -19.090 26.487 0.864 1.00 43.10 ? 213 LEU A CD1 1 ATOM 806 C CD2 . LEU A 1 114 ? -21.198 26.510 2.198 1.00 41.66 ? 213 LEU A CD2 1 ATOM 807 N N . PRO A 1 115 ? -22.495 30.854 0.315 1.00 50.09 ? 214 PRO A N 1 ATOM 808 C CA . PRO A 1 115 ? -22.531 32.240 -0.141 1.00 51.57 ? 214 PRO A CA 1 ATOM 809 C C . PRO A 1 115 ? -21.238 32.631 -0.833 1.00 52.35 ? 214 PRO A C 1 ATOM 810 O O . PRO A 1 115 ? -20.169 32.086 -0.499 1.00 47.77 ? 214 PRO A O 1 ATOM 811 C CB . PRO A 1 115 ? -22.646 33.046 1.160 1.00 53.03 ? 214 PRO A CB 1 ATOM 812 C CG . PRO A 1 115 ? -22.995 32.093 2.204 1.00 51.33 ? 214 PRO A CG 1 ATOM 813 C CD . PRO A 1 115 ? -22.494 30.759 1.780 1.00 49.15 ? 214 PRO A CD 1 ATOM 814 N N . THR A 1 116 ? -21.338 33.565 -1.779 1.00 52.78 ? 215 THR A N 1 ATOM 815 C CA . THR A 1 116 ? -20.154 34.136 -2.408 1.00 53.94 ? 215 THR A CA 1 ATOM 816 C C . THR A 1 116 ? -19.863 35.478 -1.772 1.00 56.15 ? 215 THR A C 1 ATOM 817 O O . THR A 1 116 ? -20.770 36.323 -1.629 1.00 58.96 ? 215 THR A O 1 ATOM 818 C CB . THR A 1 116 ? -20.286 34.297 -3.954 1.00 57.48 ? 215 THR A CB 1 ATOM 819 O OG1 . THR A 1 116 ? -20.543 33.024 -4.568 1.00 56.51 ? 215 THR A OG1 1 ATOM 820 C CG2 . THR A 1 116 ? -18.992 34.880 -4.550 1.00 57.32 ? 215 THR A CG2 1 ATOM 821 N N . GLU A 1 117 ? -18.599 35.681 -1.415 1.00 54.79 ? 216 GLU A N 1 ATOM 822 C CA . GLU A 1 117 ? -18.117 36.955 -0.871 1.00 54.98 ? 216 GLU A CA 1 ATOM 823 C C . GLU A 1 117 ? -18.297 38.111 -1.839 1.00 59.49 ? 216 GLU A C 1 ATOM 824 O O . GLU A 1 117 ? -18.193 37.954 -3.059 1.00 60.00 ? 216 GLU A O 1 ATOM 825 C CB . GLU A 1 117 ? -16.642 36.853 -0.489 1.00 51.95 ? 216 GLU A CB 1 ATOM 826 C CG . GLU A 1 117 ? -16.391 35.992 0.759 1.00 51.15 ? 216 GLU A CG 1 ATOM 827 C CD . GLU A 1 117 ? -15.005 35.380 0.782 1.00 49.90 ? 216 GLU A CD 1 ATOM 828 O OE1 . GLU A 1 117 ? -14.828 34.302 1.406 1.00 50.22 ? 216 GLU A OE1 1 ATOM 829 O OE2 . GLU A 1 117 ? -14.086 35.949 0.172 1.00 48.10 ? 216 GLU A OE2 1 ATOM 830 N N . ASN A 1 118 ? -18.573 39.276 -1.273 1.00 62.90 ? 217 ASN A N 1 ATOM 831 C CA . ASN A 1 118 ? -18.634 40.508 -2.035 1.00 69.15 ? 217 ASN A CA 1 ATOM 832 C C . ASN A 1 118 ? -17.330 41.261 -1.811 1.00 73.21 ? 217 ASN A C 1 ATOM 833 O O . ASN A 1 118 ? -17.077 41.738 -0.705 1.00 74.06 ? 217 ASN A O 1 ATOM 834 C CB . ASN A 1 118 ? -19.829 41.345 -1.576 1.00 71.36 ? 217 ASN A CB 1 ATOM 835 C CG . ASN A 1 118 ? -20.076 42.586 -2.457 1.00 76.27 ? 217 ASN A CG 1 ATOM 836 O OD1 . ASN A 1 118 ? -21.119 43.227 -2.340 1.00 79.59 ? 217 ASN A OD1 1 ATOM 837 N ND2 . ASN A 1 118 ? -19.129 42.915 -3.340 1.00 75.22 ? 217 ASN A ND2 1 ATOM 838 N N . PRO A 1 119 ? -16.496 41.367 -2.862 1.00 76.96 ? 218 PRO A N 1 ATOM 839 C CA . PRO A 1 119 ? -15.204 42.063 -2.843 1.00 80.57 ? 218 PRO A CA 1 ATOM 840 C C . PRO A 1 119 ? -15.278 43.535 -2.416 1.00 85.08 ? 218 PRO A C 1 ATOM 841 O O . PRO A 1 119 ? -14.295 44.072 -1.911 1.00 87.84 ? 218 PRO A O 1 ATOM 842 C CB . PRO A 1 119 ? -14.751 41.985 -4.313 1.00 84.40 ? 218 PRO A CB 1 ATOM 843 C CG . PRO A 1 119 ? -16.021 41.765 -5.092 1.00 83.22 ? 218 PRO A CG 1 ATOM 844 C CD . PRO A 1 119 ? -16.769 40.814 -4.199 1.00 79.12 ? 218 PRO A CD 1 ATOM 845 N N . ARG A 1 120 ? -16.422 44.182 -2.626 1.00 87.41 ? 219 ARG A N 1 ATOM 846 C CA . ARG A 1 120 ? -16.567 45.608 -2.305 1.00 90.94 ? 219 ARG A CA 1 ATOM 847 C C . ARG A 1 120 ? -16.833 45.856 -0.815 1.00 89.44 ? 219 ARG A C 1 ATOM 848 O O . ARG A 1 120 ? -16.467 46.905 -0.282 1.00 91.81 ? 219 ARG A O 1 ATOM 849 C CB . ARG A 1 120 ? -17.674 46.246 -3.150 1.00 94.47 ? 219 ARG A CB 1 ATOM 850 C CG . ARG A 1 120 ? -17.459 46.153 -4.659 1.00 98.68 ? 219 ARG A CG 1 ATOM 851 C CD . ARG A 1 120 ? -18.357 47.132 -5.412 1.00 100.63 ? 219 ARG A CD 1 ATOM 852 N N . LEU A 1 121 ? -17.471 44.884 -0.158 1.00 86.04 ? 220 LEU A N 1 ATOM 853 C CA . LEU A 1 121 ? -17.839 44.975 1.263 1.00 84.48 ? 220 LEU A CA 1 ATOM 854 C C . LEU A 1 121 ? -16.935 44.126 2.130 1.00 81.24 ? 220 LEU A C 1 ATOM 855 O O . LEU A 1 121 ? -16.350 43.147 1.660 1.00 79.73 ? 220 LEU A O 1 ATOM 856 C CB . LEU A 1 121 ? -19.273 44.494 1.474 1.00 83.61 ? 220 LEU A CB 1 ATOM 857 C CG . LEU A 1 121 ? -20.429 45.279 0.850 1.00 88.76 ? 220 LEU A CG 1 ATOM 858 C CD1 . LEU A 1 121 ? -21.729 44.525 1.070 1.00 88.95 ? 220 LEU A CD1 1 ATOM 859 C CD2 . LEU A 1 121 ? -20.531 46.701 1.396 1.00 94.09 ? 220 LEU A CD2 1 ATOM 860 N N . GLU A 1 122 ? -16.834 44.479 3.406 1.00 80.95 ? 221 GLU A N 1 ATOM 861 C CA . GLU A 1 122 ? -16.033 43.673 4.331 1.00 78.55 ? 221 GLU A CA 1 ATOM 862 C C . GLU A 1 122 ? -16.756 42.381 4.703 1.00 73.22 ? 221 GLU A C 1 ATOM 863 O O . GLU A 1 122 ? -17.983 42.361 4.846 1.00 71.74 ? 221 GLU A O 1 ATOM 864 C CB . GLU A 1 122 ? -15.642 44.477 5.583 1.00 80.96 ? 221 GLU A CB 1 ATOM 865 C CG . GLU A 1 122 ? -14.814 45.742 5.290 1.00 86.20 ? 221 GLU A CG 1 ATOM 866 C CD . GLU A 1 122 ? -13.697 45.516 4.264 1.00 88.93 ? 221 GLU A CD 1 ATOM 867 O OE1 . GLU A 1 122 ? -12.779 44.703 4.528 1.00 85.91 ? 221 GLU A OE1 1 ATOM 868 O OE2 . GLU A 1 122 ? -13.743 46.162 3.193 1.00 91.36 ? 221 GLU A OE2 1 ATOM 869 N N . ARG A 1 123 ? -15.985 41.303 4.837 1.00 69.25 ? 222 ARG A N 1 ATOM 870 C CA . ARG A 1 123 ? -16.532 40.014 5.241 1.00 66.02 ? 222 ARG A CA 1 ATOM 871 C C . ARG A 1 123 ? -17.156 40.136 6.636 1.00 65.41 ? 222 ARG A C 1 ATOM 872 O O . ARG A 1 123 ? -16.469 40.479 7.605 1.00 65.69 ? 222 ARG A O 1 ATOM 873 C CB . ARG A 1 123 ? -15.465 38.902 5.165 1.00 63.84 ? 222 ARG A CB 1 ATOM 874 C CG . ARG A 1 123 ? -14.976 38.627 3.718 1.00 66.80 ? 222 ARG A CG 1 ATOM 875 C CD . ARG A 1 123 ? -14.017 37.416 3.589 1.00 63.76 ? 222 ARG A CD 1 ATOM 876 N NE . ARG A 1 123 ? -12.665 37.727 4.065 1.00 66.20 ? 222 ARG A NE 1 ATOM 877 C CZ . ARG A 1 123 ? -11.757 38.441 3.394 1.00 69.95 ? 222 ARG A CZ 1 ATOM 878 N NH1 . ARG A 1 123 ? -12.034 38.947 2.191 1.00 69.49 ? 222 ARG A NH1 1 ATOM 879 N NH2 . ARG A 1 123 ? -10.564 38.660 3.934 1.00 70.26 ? 222 ARG A NH2 1 ATOM 880 N N . PRO A 1 124 ? -18.482 39.910 6.733 1.00 65.52 ? 223 PRO A N 1 ATOM 881 C CA . PRO A 1 124 ? -19.129 40.043 8.034 1.00 63.71 ? 223 PRO A CA 1 ATOM 882 C C . PRO A 1 124 ? -18.807 38.830 8.881 1.00 58.50 ? 223 PRO A C 1 ATOM 883 O O . PRO A 1 124 ? -18.500 37.761 8.342 1.00 54.44 ? 223 PRO A O 1 ATOM 884 C CB . PRO A 1 124 ? -20.617 40.061 7.681 1.00 65.45 ? 223 PRO A CB 1 ATOM 885 C CG . PRO A 1 124 ? -20.704 39.200 6.465 1.00 66.11 ? 223 PRO A CG 1 ATOM 886 C CD . PRO A 1 124 ? -19.445 39.517 5.682 1.00 66.64 ? 223 PRO A CD 1 ATOM 887 N N . TYR A 1 125 ? -18.850 38.989 10.197 1.00 55.91 ? 224 TYR A N 1 ATOM 888 C CA . TYR A 1 125 ? -18.620 37.837 11.053 1.00 53.62 ? 224 TYR A CA 1 ATOM 889 C C . TYR A 1 125 ? -19.949 37.114 11.253 1.00 51.13 ? 224 TYR A C 1 ATOM 890 O O . TYR A 1 125 ? -20.872 37.669 11.871 1.00 50.44 ? 224 TYR A O 1 ATOM 891 C CB . TYR A 1 125 ? -18.041 38.244 12.412 1.00 55.21 ? 224 TYR A CB 1 ATOM 892 C CG . TYR A 1 125 ? -17.864 37.030 13.278 1.00 54.85 ? 224 TYR A CG 1 ATOM 893 C CD1 . TYR A 1 125 ? -16.803 36.149 13.050 1.00 56.60 ? 224 TYR A CD1 1 ATOM 894 C CD2 . TYR A 1 125 ? -18.786 36.713 14.277 1.00 55.27 ? 224 TYR A CD2 1 ATOM 895 C CE1 . TYR A 1 125 ? -16.647 34.995 13.810 1.00 55.56 ? 224 TYR A CE1 1 ATOM 896 C CE2 . TYR A 1 125 ? -18.636 35.562 15.052 1.00 53.92 ? 224 TYR A CE2 1 ATOM 897 C CZ . TYR A 1 125 ? -17.559 34.705 14.806 1.00 56.50 ? 224 TYR A CZ 1 ATOM 898 O OH . TYR A 1 125 ? -17.380 33.565 15.562 1.00 54.62 ? 224 TYR A OH 1 ATOM 899 N N . THR A 1 126 ? -20.052 35.901 10.717 1.00 44.87 ? 225 THR A N 1 ATOM 900 C CA . THR A 1 126 ? -21.177 35.018 11.003 1.00 45.52 ? 225 THR A CA 1 ATOM 901 C C . THR A 1 126 ? -20.634 33.602 11.115 1.00 42.92 ? 225 THR A C 1 ATOM 902 O O . THR A 1 126 ? -19.475 33.353 10.772 1.00 41.62 ? 225 THR A O 1 ATOM 903 C CB . THR A 1 126 ? -22.231 35.018 9.877 1.00 46.11 ? 225 THR A CB 1 ATOM 904 O OG1 . THR A 1 126 ? -21.620 34.524 8.676 1.00 46.56 ? 225 THR A OG1 1 ATOM 905 C CG2 . THR A 1 126 ? -22.854 36.423 9.664 1.00 51.15 ? 225 THR A CG2 1 ATOM 906 N N . PHE A 1 127 ? -21.453 32.657 11.560 1.00 36.29 ? 226 PHE A N 1 ATOM 907 C CA . PHE A 1 127 ? -20.944 31.296 11.754 1.00 36.94 ? 226 PHE A CA 1 ATOM 908 C C . PHE A 1 127 ? -22.110 30.326 11.889 1.00 37.64 ? 226 PHE A C 1 ATOM 909 O O . PHE A 1 127 ? -23.257 30.757 12.073 1.00 38.34 ? 226 PHE A O 1 ATOM 910 C CB . PHE A 1 127 ? -20.083 31.223 13.042 1.00 35.35 ? 226 PHE A CB 1 ATOM 911 C CG . PHE A 1 127 ? -20.854 31.529 14.299 1.00 39.45 ? 226 PHE A CG 1 ATOM 912 C CD1 . PHE A 1 127 ? -21.632 30.547 14.922 1.00 38.15 ? 226 PHE A CD1 1 ATOM 913 C CD2 . PHE A 1 127 ? -20.843 32.813 14.840 1.00 42.62 ? 226 PHE A CD2 1 ATOM 914 C CE1 . PHE A 1 127 ? -22.371 30.845 16.081 1.00 37.61 ? 226 PHE A CE1 1 ATOM 915 C CE2 . PHE A 1 127 ? -21.564 33.110 15.997 1.00 42.78 ? 226 PHE A CE2 1 ATOM 916 C CZ . PHE A 1 127 ? -22.330 32.124 16.607 1.00 40.65 ? 226 PHE A CZ 1 ATOM 917 N N . LYS A 1 128 ? -21.806 29.035 11.809 1.00 36.81 ? 227 LYS A N 1 ATOM 918 C CA . LYS A 1 128 ? -22.742 27.983 12.161 1.00 41.74 ? 227 LYS A CA 1 ATOM 919 C C . LYS A 1 128 ? -22.045 26.989 13.073 1.00 40.98 ? 227 LYS A C 1 ATOM 920 O O . LYS A 1 128 ? -20.849 26.725 12.913 1.00 41.21 ? 227 LYS A O 1 ATOM 921 C CB . LYS A 1 128 ? -23.274 27.268 10.913 1.00 44.72 ? 227 LYS A CB 1 ATOM 922 C CG . LYS A 1 128 ? -24.157 28.162 10.055 1.00 49.91 ? 227 LYS A CG 1 ATOM 923 N N . ASP A 1 129 ? -22.800 26.466 14.039 1.00 40.64 ? 228 ASP A N 1 ATOM 924 C CA . ASP A 1 129 ? -22.301 25.431 14.928 1.00 40.54 ? 228 ASP A CA 1 ATOM 925 C C . ASP A 1 129 ? -22.743 24.062 14.424 1.00 42.26 ? 228 ASP A C 1 ATOM 926 O O . ASP A 1 129 ? -23.943 23.842 14.157 1.00 42.86 ? 228 ASP A O 1 ATOM 927 C CB . ASP A 1 129 ? -22.794 25.670 16.360 1.00 44.17 ? 228 ASP A CB 1 ATOM 928 C CG . ASP A 1 129 ? -22.071 26.838 17.048 1.00 46.96 ? 228 ASP A CG 1 ATOM 929 O OD1 . ASP A 1 129 ? -21.035 27.292 16.529 1.00 38.96 ? 228 ASP A OD1 1 ATOM 930 O OD2 . ASP A 1 129 ? -22.517 27.289 18.122 1.00 49.61 ? 228 ASP A OD2 1 ATOM 931 N N . PHE A 1 130 ? -21.776 23.150 14.320 1.00 38.58 ? 229 PHE A N 1 ATOM 932 C CA . PHE A 1 130 ? -21.995 21.788 13.847 1.00 40.34 ? 229 PHE A CA 1 ATOM 933 C C . PHE A 1 130 ? -21.697 20.816 15.000 1.00 41.33 ? 229 PHE A C 1 ATOM 934 O O . PHE A 1 130 ? -20.614 20.867 15.592 1.00 40.59 ? 229 PHE A O 1 ATOM 935 C CB . PHE A 1 130 ? -21.075 21.485 12.650 1.00 36.77 ? 229 PHE A CB 1 ATOM 936 C CG . PHE A 1 130 ? -21.350 22.325 11.418 1.00 39.63 ? 229 PHE A CG 1 ATOM 937 C CD1 . PHE A 1 130 ? -20.849 23.631 11.314 1.00 39.17 ? 229 PHE A CD1 1 ATOM 938 C CD2 . PHE A 1 130 ? -22.095 21.804 10.355 1.00 42.77 ? 229 PHE A CD2 1 ATOM 939 C CE1 . PHE A 1 130 ? -21.110 24.402 10.167 1.00 39.54 ? 229 PHE A CE1 1 ATOM 940 C CE2 . PHE A 1 130 ? -22.350 22.563 9.192 1.00 43.57 ? 229 PHE A CE2 1 ATOM 941 C CZ . PHE A 1 130 ? -21.848 23.858 9.093 1.00 44.09 ? 229 PHE A CZ 1 ATOM 942 N N . VAL A 1 131 ? -22.673 19.961 15.329 1.00 44.43 ? 230 VAL A N 1 ATOM 943 C CA . VAL A 1 131 ? -22.532 18.940 16.372 1.00 46.66 ? 230 VAL A CA 1 ATOM 944 C C . VAL A 1 131 ? -21.410 17.958 16.000 1.00 45.43 ? 230 VAL A C 1 ATOM 945 O O . VAL A 1 131 ? -21.350 17.462 14.861 1.00 42.68 ? 230 VAL A O 1 ATOM 946 C CB . VAL A 1 131 ? -23.840 18.144 16.590 1.00 50.75 ? 230 VAL A CB 1 ATOM 947 C CG1 . VAL A 1 131 ? -23.612 17.033 17.634 1.00 56.91 ? 230 VAL A CG1 1 ATOM 948 C CG2 . VAL A 1 131 ? -24.982 19.046 17.052 1.00 59.02 ? 230 VAL A CG2 1 ATOM 949 N N . LEU A 1 132 ? -20.505 17.706 16.947 1.00 44.84 ? 231 LEU A N 1 ATOM 950 C CA . LEU A 1 132 ? -19.419 16.751 16.707 1.00 43.90 ? 231 LEU A CA 1 ATOM 951 C C . LEU A 1 132 ? -19.955 15.317 16.834 1.00 44.99 ? 231 LEU A C 1 ATOM 952 O O . LEU A 1 132 ? -20.709 15.011 17.775 1.00 45.99 ? 231 LEU A O 1 ATOM 953 C CB . LEU A 1 132 ? -18.259 16.971 17.675 1.00 44.29 ? 231 LEU A CB 1 ATOM 954 C CG . LEU A 1 132 ? -17.403 18.218 17.421 1.00 43.35 ? 231 LEU A CG 1 ATOM 955 C CD1 . LEU A 1 132 ? -16.574 18.584 18.668 1.00 44.84 ? 231 LEU A CD1 1 ATOM 956 C CD2 . LEU A 1 132 ? -16.516 17.995 16.202 1.00 38.30 ? 231 LEU A CD2 1 ATOM 957 N N . HIS A 1 133 ? -19.560 14.452 15.892 1.00 40.77 ? 232 HIS A N 1 ATOM 958 C CA . HIS A 1 133 ? -20.063 13.053 15.803 1.00 42.31 ? 232 HIS A CA 1 ATOM 959 C C . HIS A 1 133 ? -18.977 12.036 16.114 1.00 42.33 ? 232 HIS A C 1 ATOM 960 O O . HIS A 1 133 ? -17.792 12.281 15.825 1.00 41.19 ? 232 HIS A O 1 ATOM 961 C CB . HIS A 1 133 ? -20.590 12.726 14.393 1.00 42.91 ? 232 HIS A CB 1 ATOM 962 C CG . HIS A 1 133 ? -21.767 13.541 13.987 1.00 46.52 ? 232 HIS A CG 1 ATOM 963 N ND1 . HIS A 1 133 ? -23.066 13.132 14.193 1.00 50.38 ? 232 HIS A ND1 1 ATOM 964 C CD2 . HIS A 1 133 ? -21.840 14.755 13.393 1.00 47.66 ? 232 HIS A CD2 1 ATOM 965 C CE1 . HIS A 1 133 ? -23.891 14.061 13.744 1.00 53.69 ? 232 HIS A CE1 1 ATOM 966 N NE2 . HIS A 1 133 ? -23.172 15.056 13.252 1.00 48.67 ? 232 HIS A NE2 1 ATOM 967 N N . PRO A 1 134 ? -19.373 10.873 16.663 1.00 46.24 ? 233 PRO A N 1 ATOM 968 C CA . PRO A 1 134 ? -18.429 9.780 16.889 1.00 48.35 ? 233 PRO A CA 1 ATOM 969 C C . PRO A 1 134 ? -17.925 9.175 15.575 1.00 45.65 ? 233 PRO A C 1 ATOM 970 O O . PRO A 1 134 ? -18.585 9.305 14.553 1.00 47.77 ? 233 PRO A O 1 ATOM 971 C CB . PRO A 1 134 ? -19.272 8.718 17.620 1.00 50.59 ? 233 PRO A CB 1 ATOM 972 C CG . PRO A 1 134 ? -20.517 9.394 18.066 1.00 55.32 ? 233 PRO A CG 1 ATOM 973 C CD . PRO A 1 134 ? -20.744 10.534 17.107 1.00 48.04 ? 233 PRO A CD 1 ATOM 974 N N . ARG A 1 135 ? -16.768 8.522 15.605 1.00 46.38 ? 234 ARG A N 1 ATOM 975 C CA . ARG A 1 135 ? -16.266 7.806 14.424 1.00 46.16 ? 234 ARG A CA 1 ATOM 976 C C . ARG A 1 135 ? -16.318 6.301 14.636 1.00 49.55 ? 234 ARG A C 1 ATOM 977 O O . ARG A 1 135 ? -16.050 5.548 13.705 1.00 50.46 ? 234 ARG A O 1 ATOM 978 C CB . ARG A 1 135 ? -14.846 8.230 14.044 1.00 46.07 ? 234 ARG A CB 1 ATOM 979 C CG . ARG A 1 135 ? -13.780 7.729 14.996 1.00 49.29 ? 234 ARG A CG 1 ATOM 980 C CD . ARG A 1 135 ? -12.390 8.176 14.597 1.00 53.30 ? 234 ARG A CD 1 ATOM 981 N NE . ARG A 1 135 ? -11.421 7.698 15.578 1.00 53.46 ? 234 ARG A NE 1 ATOM 982 C CZ . ARG A 1 135 ? -10.101 7.824 15.489 1.00 57.33 ? 234 ARG A CZ 1 ATOM 983 N NH1 . ARG A 1 135 ? -9.538 8.430 14.452 1.00 56.67 ? 234 ARG A NH1 1 ATOM 984 N NH2 . ARG A 1 135 ? -9.346 7.315 16.452 1.00 62.55 ? 234 ARG A NH2 1 ATOM 985 N N . SER A 1 136 ? -16.637 5.875 15.861 1.00 50.85 ? 235 SER A N 1 ATOM 986 C CA . SER A 1 136 ? -16.926 4.461 16.171 1.00 55.51 ? 235 SER A CA 1 ATOM 987 C C . SER A 1 136 ? -17.768 4.368 17.458 1.00 57.51 ? 235 SER A C 1 ATOM 988 O O . SER A 1 136 ? -17.962 5.370 18.152 1.00 58.50 ? 235 SER A O 1 ATOM 989 C CB . SER A 1 136 ? -15.621 3.663 16.324 1.00 57.66 ? 235 SER A CB 1 ATOM 990 O OG . SER A 1 136 ? -14.940 4.014 17.521 1.00 60.92 ? 235 SER A OG 1 ATOM 991 N N . HIS A 1 137 ? -18.253 3.168 17.786 1.00 61.95 ? 236 HIS A N 1 ATOM 992 C CA . HIS A 1 137 ? -18.990 2.959 19.044 1.00 66.03 ? 236 HIS A CA 1 ATOM 993 C C . HIS A 1 137 ? -18.141 3.318 20.288 1.00 68.08 ? 236 HIS A C 1 ATOM 994 O O . HIS A 1 137 ? -18.675 3.507 21.392 1.00 71.87 ? 236 HIS A O 1 ATOM 995 C CB . HIS A 1 137 ? -19.511 1.522 19.130 1.00 69.41 ? 236 HIS A CB 1 ATOM 996 C CG . HIS A 1 137 ? -18.450 0.508 19.428 1.00 70.21 ? 236 HIS A CG 1 ATOM 997 N ND1 . HIS A 1 137 ? -17.605 0.008 18.460 1.00 66.04 ? 236 HIS A ND1 1 ATOM 998 C CD2 . HIS A 1 137 ? -18.095 -0.095 20.586 1.00 68.85 ? 236 HIS A CD2 1 ATOM 999 C CE1 . HIS A 1 137 ? -16.778 -0.863 19.010 1.00 63.62 ? 236 HIS A CE1 1 ATOM 1000 N NE2 . HIS A 1 137 ? -17.047 -0.934 20.300 1.00 70.09 ? 236 HIS A NE2 1 ATOM 1001 N N . LYS A 1 138 ? -16.826 3.411 20.078 1.00 65.45 ? 237 LYS A N 1 ATOM 1002 C CA . LYS A 1 138 ? -15.843 3.698 21.127 1.00 68.35 ? 237 LYS A CA 1 ATOM 1003 C C . LYS A 1 138 ? -15.670 5.189 21.399 1.00 66.30 ? 237 LYS A C 1 ATOM 1004 O O . LYS A 1 138 ? -15.288 5.589 22.516 1.00 67.44 ? 237 LYS A O 1 ATOM 1005 C CB . LYS A 1 138 ? -14.482 3.125 20.739 1.00 69.07 ? 237 LYS A CB 1 ATOM 1006 C CG . LYS A 1 138 ? -14.318 1.669 21.034 1.00 75.03 ? 237 LYS A CG 1 ATOM 1007 C CD . LYS A 1 138 ? -13.243 1.051 20.160 1.00 78.59 ? 237 LYS A CD 1 ATOM 1008 C CE . LYS A 1 138 ? -12.400 0.048 20.942 1.00 85.07 ? 237 LYS A CE 1 ATOM 1009 N NZ . LYS A 1 138 ? -13.218 -0.821 21.821 1.00 93.05 ? 237 LYS A NZ 1 ATOM 1010 N N . SER A 1 139 ? -15.930 6.009 20.382 1.00 67.69 ? 238 SER A N 1 ATOM 1011 C CA . SER A 1 139 ? -15.766 7.456 20.526 1.00 64.07 ? 238 SER A CA 1 ATOM 1012 C C . SER A 1 139 ? -16.579 7.984 21.703 1.00 67.81 ? 238 SER A C 1 ATOM 1013 O O . SER A 1 139 ? -17.727 7.577 21.901 1.00 71.69 ? 238 SER A O 1 ATOM 1014 C CB . SER A 1 139 ? -16.191 8.189 19.248 1.00 57.81 ? 238 SER A CB 1 ATOM 1015 O OG . SER A 1 139 ? -15.573 7.655 18.088 1.00 58.74 ? 238 SER A OG 1 ATOM 1016 N N . ARG A 1 140 ? -15.965 8.871 22.485 1.00 69.23 ? 239 ARG A N 1 ATOM 1017 C CA . ARG A 1 140 ? -16.646 9.649 23.519 1.00 72.44 ? 239 ARG A CA 1 ATOM 1018 C C . ARG A 1 140 ? -16.456 11.132 23.166 1.00 69.41 ? 239 ARG A C 1 ATOM 1019 O O . ARG A 1 140 ? -15.398 11.733 23.400 1.00 69.22 ? 239 ARG A O 1 ATOM 1020 C CB . ARG A 1 140 ? -16.107 9.321 24.917 1.00 77.77 ? 239 ARG A CB 1 ATOM 1021 N N . VAL A 1 141 ? -17.498 11.702 22.576 1.00 66.66 ? 240 VAL A N 1 ATOM 1022 C CA . VAL A 1 141 ? -17.414 12.978 21.902 1.00 63.22 ? 240 VAL A CA 1 ATOM 1023 C C . VAL A 1 141 ? -18.503 13.874 22.482 1.00 63.04 ? 240 VAL A C 1 ATOM 1024 O O . VAL A 1 141 ? -19.591 13.387 22.850 1.00 63.44 ? 240 VAL A O 1 ATOM 1025 C CB . VAL A 1 141 ? -17.577 12.749 20.364 1.00 58.98 ? 240 VAL A CB 1 ATOM 1026 C CG1 . VAL A 1 141 ? -17.977 13.985 19.635 1.00 63.39 ? 240 VAL A CG1 1 ATOM 1027 C CG2 . VAL A 1 141 ? -16.303 12.125 19.785 1.00 58.85 ? 240 VAL A CG2 1 ATOM 1028 N N . LYS A 1 142 ? -18.179 15.166 22.579 1.00 59.80 ? 241 LYS A N 1 ATOM 1029 C CA . LYS A 1 142 ? -19.072 16.211 23.082 1.00 61.66 ? 241 LYS A CA 1 ATOM 1030 C C . LYS A 1 142 ? -18.862 17.518 22.312 1.00 55.71 ? 241 LYS A C 1 ATOM 1031 O O . LYS A 1 142 ? -17.794 17.764 21.729 1.00 52.17 ? 241 LYS A O 1 ATOM 1032 C CB . LYS A 1 142 ? -18.810 16.488 24.568 1.00 65.93 ? 241 LYS A CB 1 ATOM 1033 C CG . LYS A 1 142 ? -19.573 15.620 25.536 1.00 77.11 ? 241 LYS A CG 1 ATOM 1034 C CD . LYS A 1 142 ? -19.439 16.148 26.963 1.00 84.35 ? 241 LYS A CD 1 ATOM 1035 C CE . LYS A 1 142 ? -18.221 15.560 27.677 1.00 88.91 ? 241 LYS A CE 1 ATOM 1036 N NZ . LYS A 1 142 ? -18.246 15.830 29.142 1.00 94.01 ? 241 LYS A NZ 1 ATOM 1037 N N . GLY A 1 143 ? -19.904 18.338 22.283 1.00 54.31 ? 242 GLY A N 1 ATOM 1038 C CA . GLY A 1 143 ? -19.756 19.708 21.851 1.00 53.48 ? 242 GLY A CA 1 ATOM 1039 C C . GLY A 1 143 ? -19.924 19.954 20.371 1.00 49.16 ? 242 GLY A C 1 ATOM 1040 O O . GLY A 1 143 ? -20.504 19.134 19.630 1.00 48.30 ? 242 GLY A O 1 ATOM 1041 N N . TYR A 1 144 ? -19.412 21.103 19.936 1.00 46.44 ? 243 TYR A N 1 ATOM 1042 C CA . TYR A 1 144 ? -19.656 21.592 18.591 1.00 43.40 ? 243 TYR A CA 1 ATOM 1043 C C . TYR A 1 144 ? -18.400 22.157 17.997 1.00 38.99 ? 243 TYR A C 1 ATOM 1044 O O . TYR A 1 144 ? -17.498 22.578 18.712 1.00 39.95 ? 243 TYR A O 1 ATOM 1045 C CB . TYR A 1 144 ? -20.688 22.737 18.604 1.00 47.17 ? 243 TYR A CB 1 ATOM 1046 C CG . TYR A 1 144 ? -22.087 22.351 19.020 1.00 51.91 ? 243 TYR A CG 1 ATOM 1047 C CD1 . TYR A 1 144 ? -22.407 22.212 20.366 1.00 57.99 ? 243 TYR A CD1 1 ATOM 1048 C CD2 . TYR A 1 144 ? -23.099 22.155 18.073 1.00 52.27 ? 243 TYR A CD2 1 ATOM 1049 C CE1 . TYR A 1 144 ? -23.682 21.863 20.774 1.00 62.55 ? 243 TYR A CE1 1 ATOM 1050 C CE2 . TYR A 1 144 ? -24.399 21.808 18.473 1.00 61.89 ? 243 TYR A CE2 1 ATOM 1051 C CZ . TYR A 1 144 ? -24.680 21.661 19.835 1.00 64.80 ? 243 TYR A CZ 1 ATOM 1052 O OH . TYR A 1 144 ? -25.949 21.323 20.286 1.00 71.35 ? 243 TYR A OH 1 ATOM 1053 N N . LEU A 1 145 ? -18.364 22.184 16.674 1.00 39.89 ? 244 LEU A N 1 ATOM 1054 C CA . LEU A 1 145 ? -17.347 22.889 15.930 1.00 37.69 ? 244 LEU A CA 1 ATOM 1055 C C . LEU A 1 145 ? -17.995 24.105 15.259 1.00 37.54 ? 244 LEU A C 1 ATOM 1056 O O . LEU A 1 145 ? -19.008 23.992 14.577 1.00 40.07 ? 244 LEU A O 1 ATOM 1057 C CB . LEU A 1 145 ? -16.683 21.945 14.919 1.00 37.12 ? 244 LEU A CB 1 ATOM 1058 C CG . LEU A 1 145 ? -15.414 22.334 14.180 1.00 40.78 ? 244 LEU A CG 1 ATOM 1059 C CD1 . LEU A 1 145 ? -14.233 22.713 15.116 1.00 38.11 ? 244 LEU A CD1 1 ATOM 1060 C CD2 . LEU A 1 145 ? -15.020 21.162 13.254 1.00 38.60 ? 244 LEU A CD2 1 ATOM 1061 N N . ARG A 1 146 ? -17.423 25.277 15.508 1.00 35.87 ? 245 ARG A N 1 ATOM 1062 C CA . ARG A 1 146 ? -17.924 26.534 14.954 1.00 34.91 ? 245 ARG A CA 1 ATOM 1063 C C . ARG A 1 146 ? -17.149 26.889 13.685 1.00 35.09 ? 245 ARG A C 1 ATOM 1064 O O . ARG A 1 146 ? -15.909 27.014 13.712 1.00 35.53 ? 245 ARG A O 1 ATOM 1065 C CB . ARG A 1 146 ? -17.760 27.652 15.981 1.00 34.84 ? 245 ARG A CB 1 ATOM 1066 C CG . ARG A 1 146 ? -18.339 29.005 15.532 1.00 34.85 ? 245 ARG A CG 1 ATOM 1067 C CD . ARG A 1 146 ? -18.637 29.935 16.717 1.00 36.88 ? 245 ARG A CD 1 ATOM 1068 N NE . ARG A 1 146 ? -19.714 29.404 17.579 1.00 37.12 ? 245 ARG A NE 1 ATOM 1069 C CZ . ARG A 1 146 ? -20.156 30.004 18.683 1.00 36.90 ? 245 ARG A CZ 1 ATOM 1070 N NH1 . ARG A 1 146 ? -19.679 31.198 19.022 1.00 36.82 ? 245 ARG A NH1 1 ATOM 1071 N NH2 . ARG A 1 146 ? -21.145 29.456 19.409 1.00 39.32 ? 245 ARG A NH2 1 ATOM 1072 N N . LEU A 1 147 ? -17.877 27.051 12.582 1.00 34.25 ? 246 LEU A N 1 ATOM 1073 C CA . LEU A 1 147 ? -17.267 27.162 11.238 1.00 33.36 ? 246 LEU A CA 1 ATOM 1074 C C . LEU A 1 147 ? -17.970 28.192 10.387 1.00 36.46 ? 246 LEU A C 1 ATOM 1075 O O . LEU A 1 147 ? -19.172 28.464 10.581 1.00 35.45 ? 246 LEU A O 1 ATOM 1076 C CB . LEU A 1 147 ? -17.400 25.819 10.472 1.00 35.05 ? 246 LEU A CB 1 ATOM 1077 C CG . LEU A 1 147 ? -16.820 24.564 11.090 1.00 33.85 ? 246 LEU A CG 1 ATOM 1078 C CD1 . LEU A 1 147 ? -17.258 23.345 10.241 1.00 36.78 ? 246 LEU A CD1 1 ATOM 1079 C CD2 . LEU A 1 147 ? -15.306 24.682 11.111 1.00 38.32 ? 246 LEU A CD2 1 ATOM 1080 N N . LYS A 1 148 ? -17.244 28.724 9.412 1.00 35.07 ? 247 LYS A N 1 ATOM 1081 C CA . LYS A 1 148 ? -17.871 29.536 8.371 1.00 36.34 ? 247 LYS A CA 1 ATOM 1082 C C . LYS A 1 148 ? -17.199 29.204 7.048 1.00 35.57 ? 247 LYS A C 1 ATOM 1083 O O . LYS A 1 148 ? -15.973 29.255 6.953 1.00 36.13 ? 247 LYS A O 1 ATOM 1084 C CB . LYS A 1 148 ? -17.734 31.033 8.678 1.00 37.79 ? 247 LYS A CB 1 ATOM 1085 C CG . LYS A 1 148 ? -18.381 31.969 7.629 1.00 42.52 ? 247 LYS A CG 1 ATOM 1086 C CD . LYS A 1 148 ? -19.884 31.688 7.500 1.00 58.55 ? 247 LYS A CD 1 ATOM 1087 C CE . LYS A 1 148 ? -20.514 32.514 6.393 1.00 61.27 ? 247 LYS A CE 1 ATOM 1088 N NZ . LYS A 1 148 ? -21.963 32.178 6.205 1.00 69.61 ? 247 LYS A NZ 1 ATOM 1089 N N . MET A 1 149 ? -18.015 28.913 6.032 1.00 35.46 ? 248 MET A N 1 ATOM 1090 C CA . MET A 1 149 ? -17.536 28.566 4.678 1.00 33.91 ? 248 MET A CA 1 ATOM 1091 C C . MET A 1 149 ? -18.208 29.463 3.649 1.00 34.78 ? 248 MET A C 1 ATOM 1092 O O . MET A 1 149 ? -19.438 29.618 3.650 1.00 36.71 ? 248 MET A O 1 ATOM 1093 C CB . MET A 1 149 ? -17.808 27.089 4.372 1.00 34.46 ? 248 MET A CB 1 ATOM 1094 C CG . MET A 1 149 ? -16.943 26.162 5.252 1.00 38.09 ? 248 MET A CG 1 ATOM 1095 S SD . MET A 1 149 ? -17.452 24.461 5.103 1.00 45.06 ? 248 MET A SD 1 ATOM 1096 C CE . MET A 1 149 ? -18.744 24.443 6.341 1.00 56.99 ? 248 MET A CE 1 ATOM 1097 N N . THR A 1 150 ? -17.384 30.086 2.794 1.00 35.64 ? 249 THR A N 1 ATOM 1098 C CA . THR A 1 150 ? -17.864 31.014 1.741 1.00 35.46 ? 249 THR A CA 1 ATOM 1099 C C . THR A 1 150 ? -16.976 30.847 0.520 1.00 34.77 ? 249 THR A C 1 ATOM 1100 O O . THR A 1 150 ? -15.880 30.318 0.637 1.00 34.74 ? 249 THR A O 1 ATOM 1101 C CB . THR A 1 150 ? -17.808 32.516 2.204 1.00 40.18 ? 249 THR A CB 1 ATOM 1102 O OG1 . THR A 1 150 ? -16.493 32.841 2.646 1.00 39.09 ? 249 THR A OG1 1 ATOM 1103 C CG2 . THR A 1 150 ? -18.780 32.790 3.337 1.00 43.11 ? 249 THR A CG2 1 ATOM 1104 N N A TYR A 1 151 ? -17.481 31.214 -0.657 0.50 35.05 ? 250 TYR A N 1 ATOM 1105 N N B TYR A 1 151 ? -17.457 31.292 -0.635 0.50 35.61 ? 250 TYR A N 1 ATOM 1106 C CA A TYR A 1 151 ? -16.684 31.205 -1.874 0.50 35.45 ? 250 TYR A CA 1 ATOM 1107 C CA B TYR A 1 151 ? -16.695 31.227 -1.865 0.50 35.91 ? 250 TYR A CA 1 ATOM 1108 C C A TYR A 1 151 ? -16.010 32.549 -2.023 0.50 38.01 ? 250 TYR A C 1 ATOM 1109 C C B TYR A 1 151 ? -16.090 32.562 -2.216 0.50 38.58 ? 250 TYR A C 1 ATOM 1110 O O A TYR A 1 151 ? -16.584 33.592 -1.668 0.50 42.92 ? 250 TYR A O 1 ATOM 1111 O O B TYR A 1 151 ? -16.777 33.610 -2.169 0.50 41.65 ? 250 TYR A O 1 ATOM 1112 C CB A TYR A 1 151 ? -17.553 30.989 -3.134 0.50 35.73 ? 250 TYR A CB 1 ATOM 1113 C CB B TYR A 1 151 ? -17.572 30.723 -3.026 0.50 37.35 ? 250 TYR A CB 1 ATOM 1114 C CG A TYR A 1 151 ? -18.337 29.691 -3.190 0.50 35.72 ? 250 TYR A CG 1 ATOM 1115 C CG B TYR A 1 151 ? -17.643 29.221 -3.015 0.50 35.51 ? 250 TYR A CG 1 ATOM 1116 C CD1 A TYR A 1 151 ? -17.704 28.449 -3.066 0.50 34.23 ? 250 TYR A CD1 1 ATOM 1117 C CD1 B TYR A 1 151 ? -16.492 28.471 -3.234 0.50 33.39 ? 250 TYR A CD1 1 ATOM 1118 C CD2 A TYR A 1 151 ? -19.710 29.711 -3.388 0.50 35.79 ? 250 TYR A CD2 1 ATOM 1119 C CD2 B TYR A 1 151 ? -18.838 28.550 -2.761 0.50 37.62 ? 250 TYR A CD2 1 ATOM 1120 C CE1 A TYR A 1 151 ? -18.442 27.256 -3.135 0.50 38.16 ? 250 TYR A CE1 1 ATOM 1121 C CE1 B TYR A 1 151 ? -16.521 27.094 -3.219 0.50 37.91 ? 250 TYR A CE1 1 ATOM 1122 C CE2 A TYR A 1 151 ? -20.447 28.549 -3.455 0.50 40.36 ? 250 TYR A CE2 1 ATOM 1123 C CE2 B TYR A 1 151 ? -18.876 27.152 -2.741 0.50 39.54 ? 250 TYR A CE2 1 ATOM 1124 C CZ A TYR A 1 151 ? -19.816 27.329 -3.328 0.50 37.59 ? 250 TYR A CZ 1 ATOM 1125 C CZ B TYR A 1 151 ? -17.704 26.441 -2.968 0.50 35.47 ? 250 TYR A CZ 1 ATOM 1126 O OH A TYR A 1 151 ? -20.583 26.200 -3.394 0.50 38.41 ? 250 TYR A OH 1 ATOM 1127 O OH B TYR A 1 151 ? -17.671 25.077 -2.937 0.50 37.85 ? 250 TYR A OH 1 ATOM 1128 N N . LEU A 1 152 ? -14.811 32.529 -2.587 1.00 39.55 ? 251 LEU A N 1 ATOM 1129 C CA . LEU A 1 152 ? -14.127 33.733 -3.060 1.00 44.23 ? 251 LEU A CA 1 ATOM 1130 C C . LEU A 1 152 ? -14.805 34.183 -4.337 1.00 50.38 ? 251 LEU A C 1 ATOM 1131 O O . LEU A 1 152 ? -15.314 33.344 -5.086 1.00 49.35 ? 251 LEU A O 1 ATOM 1132 C CB . LEU A 1 152 ? -12.650 33.432 -3.336 1.00 44.39 ? 251 LEU A CB 1 ATOM 1133 C CG . LEU A 1 152 ? -11.662 33.645 -2.182 1.00 44.06 ? 251 LEU A CG 1 ATOM 1134 C CD1 . LEU A 1 152 ? -11.942 32.734 -0.977 1.00 43.41 ? 251 LEU A CD1 1 ATOM 1135 C CD2 . LEU A 1 152 ? -10.235 33.478 -2.663 1.00 47.72 ? 251 LEU A CD2 1 ATOM 1136 N N . PRO A 1 153 ? -14.807 35.512 -4.606 1.00 57.88 ? 252 PRO A N 1 ATOM 1137 C CA . PRO A 1 153 ? -15.314 36.031 -5.884 1.00 61.93 ? 252 PRO A CA 1 ATOM 1138 C C . PRO A 1 153 ? -14.490 35.508 -7.061 1.00 65.82 ? 252 PRO A C 1 ATOM 1139 O O . PRO A 1 153 ? -15.044 35.221 -8.138 1.00 69.00 ? 252 PRO A O 1 ATOM 1140 C CB . PRO A 1 153 ? -15.160 37.553 -5.757 1.00 68.21 ? 252 PRO A CB 1 ATOM 1141 C CG . PRO A 1 153 ? -14.313 37.796 -4.569 1.00 65.87 ? 252 PRO A CG 1 ATOM 1142 C CD . PRO A 1 153 ? -14.340 36.584 -3.702 1.00 61.11 ? 252 PRO A CD 1 ATOM 1143 O OXT . PRO A 1 153 ? -13.262 35.347 -6.964 1.00 66.17 ? 252 PRO A OXT 1 ATOM 1144 N N . ALA B 1 3 ? 8.316 -17.245 -8.597 1.00 70.39 ? 102 ALA B N 1 ATOM 1145 C CA . ALA B 1 3 ? 7.032 -18.023 -8.540 1.00 69.03 ? 102 ALA B CA 1 ATOM 1146 C C . ALA B 1 3 ? 6.874 -18.741 -7.195 1.00 66.28 ? 102 ALA B C 1 ATOM 1147 O O . ALA B 1 3 ? 5.786 -19.241 -6.867 1.00 64.91 ? 102 ALA B O 1 ATOM 1148 C CB . ALA B 1 3 ? 6.942 -19.013 -9.702 1.00 75.12 ? 102 ALA B CB 1 ATOM 1149 N N . THR B 1 4 ? 7.963 -18.769 -6.424 1.00 63.18 ? 103 THR B N 1 ATOM 1150 C CA . THR B 1 4 ? 7.993 -19.376 -5.095 1.00 60.39 ? 103 THR B CA 1 ATOM 1151 C C . THR B 1 4 ? 8.071 -18.314 -3.972 1.00 56.82 ? 103 THR B C 1 ATOM 1152 O O . THR B 1 4 ? 7.943 -18.620 -2.782 1.00 53.74 ? 103 THR B O 1 ATOM 1153 C CB . THR B 1 4 ? 9.150 -20.406 -4.997 1.00 64.08 ? 103 THR B CB 1 ATOM 1154 O OG1 . THR B 1 4 ? 8.858 -21.374 -3.983 1.00 70.31 ? 103 THR B OG1 1 ATOM 1155 C CG2 . THR B 1 4 ? 10.473 -19.742 -4.702 1.00 58.80 ? 103 THR B CG2 1 ATOM 1156 N N . CYS B 1 5 ? 8.298 -17.066 -4.369 1.00 55.24 ? 104 CYS B N 1 ATOM 1157 C CA . CYS B 1 5 ? 8.424 -15.964 -3.436 1.00 51.72 ? 104 CYS B CA 1 ATOM 1158 C C . CYS B 1 5 ? 7.317 -14.954 -3.716 1.00 50.64 ? 104 CYS B C 1 ATOM 1159 O O . CYS B 1 5 ? 7.303 -14.348 -4.782 1.00 51.46 ? 104 CYS B O 1 ATOM 1160 C CB . CYS B 1 5 ? 9.794 -15.291 -3.604 1.00 51.53 ? 104 CYS B CB 1 ATOM 1161 S SG . CYS B 1 5 ? 10.054 -13.883 -2.510 1.00 54.91 ? 104 CYS B SG 1 ATOM 1162 N N . ALA B 1 6 ? 6.398 -14.773 -2.763 1.00 46.25 ? 105 ALA B N 1 ATOM 1163 C CA . ALA B 1 6 ? 5.307 -13.802 -2.905 1.00 46.27 ? 105 ALA B CA 1 ATOM 1164 C C . ALA B 1 6 ? 5.783 -12.395 -2.584 1.00 46.72 ? 105 ALA B C 1 ATOM 1165 O O . ALA B 1 6 ? 5.341 -11.400 -3.178 1.00 47.53 ? 105 ALA B O 1 ATOM 1166 C CB . ALA B 1 6 ? 4.147 -14.170 -1.977 1.00 45.07 ? 105 ALA B CB 1 ATOM 1167 N N . VAL B 1 7 ? 6.654 -12.302 -1.593 1.00 42.26 ? 106 VAL B N 1 ATOM 1168 C CA . VAL B 1 7 ? 7.085 -11.015 -1.125 1.00 40.94 ? 106 VAL B CA 1 ATOM 1169 C C . VAL B 1 7 ? 8.582 -11.091 -0.940 1.00 41.03 ? 106 VAL B C 1 ATOM 1170 O O . VAL B 1 7 ? 9.065 -11.853 -0.103 1.00 42.06 ? 106 VAL B O 1 ATOM 1171 C CB . VAL B 1 7 ? 6.409 -10.639 0.214 1.00 43.67 ? 106 VAL B CB 1 ATOM 1172 C CG1 . VAL B 1 7 ? 6.963 -9.337 0.722 1.00 42.05 ? 106 VAL B CG1 1 ATOM 1173 C CG2 . VAL B 1 7 ? 4.901 -10.471 0.049 1.00 43.42 ? 106 VAL B CG2 1 ATOM 1174 N N . GLU B 1 8 ? 9.301 -10.327 -1.748 1.00 41.91 ? 107 GLU B N 1 ATOM 1175 C CA . GLU B 1 8 ? 10.744 -10.179 -1.610 1.00 41.56 ? 107 GLU B CA 1 ATOM 1176 C C . GLU B 1 8 ? 11.100 -9.048 -0.635 1.00 41.33 ? 107 GLU B C 1 ATOM 1177 O O . GLU B 1 8 ? 10.321 -8.098 -0.464 1.00 39.93 ? 107 GLU B O 1 ATOM 1178 C CB . GLU B 1 8 ? 11.373 -9.826 -2.959 1.00 45.92 ? 107 GLU B CB 1 ATOM 1179 C CG . GLU B 1 8 ? 11.070 -10.780 -4.113 1.00 54.65 ? 107 GLU B CG 1 ATOM 1180 C CD . GLU B 1 8 ? 11.596 -10.228 -5.444 1.00 57.57 ? 107 GLU B CD 1 ATOM 1181 O OE1 . GLU B 1 8 ? 12.824 -9.986 -5.535 1.00 63.36 ? 107 GLU B OE1 1 ATOM 1182 O OE2 . GLU B 1 8 ? 10.771 -10.023 -6.381 1.00 66.74 ? 107 GLU B OE2 1 ATOM 1183 N N . VAL B 1 9 ? 12.274 -9.153 -0.007 1.00 38.13 ? 108 VAL B N 1 ATOM 1184 C CA . VAL B 1 9 ? 12.836 -8.079 0.828 1.00 37.64 ? 108 VAL B CA 1 ATOM 1185 C C . VAL B 1 9 ? 14.081 -7.551 0.116 1.00 37.33 ? 108 VAL B C 1 ATOM 1186 O O . VAL B 1 9 ? 14.994 -8.312 -0.186 1.00 37.87 ? 108 VAL B O 1 ATOM 1187 C CB . VAL B 1 9 ? 13.268 -8.589 2.230 1.00 41.10 ? 108 VAL B CB 1 ATOM 1188 C CG1 . VAL B 1 9 ? 13.744 -7.433 3.109 1.00 41.26 ? 108 VAL B CG1 1 ATOM 1189 C CG2 . VAL B 1 9 ? 12.146 -9.297 2.921 1.00 41.57 ? 108 VAL B CG2 1 ATOM 1190 N N . PHE B 1 10 ? 14.136 -6.247 -0.131 1.00 38.26 ? 109 PHE B N 1 ATOM 1191 C CA . PHE B 1 10 ? 15.265 -5.647 -0.842 1.00 38.50 ? 109 PHE B CA 1 ATOM 1192 C C . PHE B 1 10 ? 16.190 -4.873 0.097 1.00 39.10 ? 109 PHE B C 1 ATOM 1193 O O . PHE B 1 10 ? 15.867 -4.653 1.259 1.00 40.82 ? 109 PHE B O 1 ATOM 1194 C CB . PHE B 1 10 ? 14.731 -4.675 -1.920 1.00 40.02 ? 109 PHE B CB 1 ATOM 1195 C CG . PHE B 1 10 ? 13.808 -5.319 -2.903 1.00 39.35 ? 109 PHE B CG 1 ATOM 1196 C CD1 . PHE B 1 10 ? 14.328 -5.936 -4.055 1.00 44.26 ? 109 PHE B CD1 1 ATOM 1197 C CD2 . PHE B 1 10 ? 12.434 -5.344 -2.682 1.00 43.21 ? 109 PHE B CD2 1 ATOM 1198 C CE1 . PHE B 1 10 ? 13.477 -6.571 -4.966 1.00 45.97 ? 109 PHE B CE1 1 ATOM 1199 C CE2 . PHE B 1 10 ? 11.573 -5.954 -3.597 1.00 42.59 ? 109 PHE B CE2 1 ATOM 1200 C CZ . PHE B 1 10 ? 12.105 -6.576 -4.737 1.00 45.76 ? 109 PHE B CZ 1 ATOM 1201 N N . GLY B 1 11 ? 17.338 -4.441 -0.416 1.00 38.67 ? 110 GLY B N 1 ATOM 1202 C CA . GLY B 1 11 ? 18.253 -3.656 0.403 1.00 40.69 ? 110 GLY B CA 1 ATOM 1203 C C . GLY B 1 11 ? 19.301 -4.560 1.029 1.00 41.94 ? 110 GLY B C 1 ATOM 1204 O O . GLY B 1 11 ? 20.022 -5.268 0.330 1.00 44.92 ? 110 GLY B O 1 ATOM 1205 N N . LEU B 1 12 ? 19.402 -4.521 2.347 1.00 39.29 ? 111 LEU B N 1 ATOM 1206 C CA . LEU B 1 12 ? 20.369 -5.353 3.046 1.00 40.45 ? 111 LEU B CA 1 ATOM 1207 C C . LEU B 1 12 ? 19.983 -6.819 2.852 1.00 43.36 ? 111 LEU B C 1 ATOM 1208 O O . LEU B 1 12 ? 18.841 -7.195 3.056 1.00 42.74 ? 111 LEU B O 1 ATOM 1209 C CB . LEU B 1 12 ? 20.456 -4.974 4.523 1.00 40.18 ? 111 LEU B CB 1 ATOM 1210 C CG . LEU B 1 12 ? 20.933 -3.543 4.860 1.00 41.65 ? 111 LEU B CG 1 ATOM 1211 C CD1 . LEU B 1 12 ? 20.666 -3.230 6.331 1.00 43.84 ? 111 LEU B CD1 1 ATOM 1212 C CD2 . LEU B 1 12 ? 22.413 -3.262 4.523 1.00 43.13 ? 111 LEU B CD2 1 ATOM 1213 N N . LEU B 1 13 ? 20.936 -7.619 2.392 1.00 48.53 ? 112 LEU B N 1 ATOM 1214 C CA . LEU B 1 13 ? 20.640 -8.976 1.935 1.00 52.75 ? 112 LEU B CA 1 ATOM 1215 C C . LEU B 1 13 ? 20.686 -9.999 3.076 1.00 54.71 ? 112 LEU B C 1 ATOM 1216 O O . LEU B 1 13 ? 20.152 -11.113 2.962 1.00 53.33 ? 112 LEU B O 1 ATOM 1217 C CB . LEU B 1 13 ? 21.585 -9.360 0.782 1.00 58.09 ? 112 LEU B CB 1 ATOM 1218 C CG . LEU B 1 13 ? 21.418 -8.482 -0.471 1.00 60.29 ? 112 LEU B CG 1 ATOM 1219 C CD1 . LEU B 1 13 ? 22.256 -8.996 -1.657 1.00 68.02 ? 112 LEU B CD1 1 ATOM 1220 C CD2 . LEU B 1 13 ? 19.912 -8.332 -0.859 1.00 60.97 ? 112 LEU B CD2 1 ATOM 1221 N N . GLU B 1 14 ? 21.335 -9.608 4.168 1.00 54.04 ? 113 GLU B N 1 ATOM 1222 C CA . GLU B 1 14 ? 21.415 -10.436 5.350 1.00 59.06 ? 113 GLU B CA 1 ATOM 1223 C C . GLU B 1 14 ? 20.785 -9.725 6.532 1.00 55.34 ? 113 GLU B C 1 ATOM 1224 O O . GLU B 1 14 ? 20.872 -8.519 6.654 1.00 52.35 ? 113 GLU B O 1 ATOM 1225 C CB . GLU B 1 14 ? 22.868 -10.763 5.685 1.00 62.80 ? 113 GLU B CB 1 ATOM 1226 C CG . GLU B 1 14 ? 23.699 -11.329 4.533 1.00 68.89 ? 113 GLU B CG 1 ATOM 1227 C CD . GLU B 1 14 ? 25.078 -11.735 4.988 1.00 73.47 ? 113 GLU B CD 1 ATOM 1228 O OE1 . GLU B 1 14 ? 25.157 -12.614 5.871 1.00 79.30 ? 113 GLU B OE1 1 ATOM 1229 O OE2 . GLU B 1 14 ? 26.080 -11.171 4.485 1.00 77.55 ? 113 GLU B OE2 1 ATOM 1230 N N . ASP B 1 15 ? 20.176 -10.494 7.424 1.00 58.82 ? 114 ASP B N 1 ATOM 1231 C CA . ASP B 1 15 ? 19.720 -9.953 8.686 1.00 58.96 ? 114 ASP B CA 1 ATOM 1232 C C . ASP B 1 15 ? 20.886 -9.403 9.552 1.00 61.40 ? 114 ASP B C 1 ATOM 1233 O O . ASP B 1 15 ? 21.352 -10.037 10.499 1.00 62.80 ? 114 ASP B O 1 ATOM 1234 C CB . ASP B 1 15 ? 18.900 -10.990 9.433 1.00 63.66 ? 114 ASP B CB 1 ATOM 1235 C CG . ASP B 1 15 ? 17.878 -10.360 10.319 1.00 66.12 ? 114 ASP B CG 1 ATOM 1236 O OD1 . ASP B 1 15 ? 18.133 -9.238 10.802 1.00 69.57 ? 114 ASP B OD1 1 ATOM 1237 O OD2 . ASP B 1 15 ? 16.816 -10.972 10.516 1.00 75.07 ? 114 ASP B OD2 1 ATOM 1238 N N . GLU B 1 16 ? 21.358 -8.214 9.187 1.00 58.50 ? 115 GLU B N 1 ATOM 1239 C CA . GLU B 1 16 ? 22.454 -7.566 9.906 1.00 58.94 ? 115 GLU B CA 1 ATOM 1240 C C . GLU B 1 16 ? 21.928 -7.106 11.249 1.00 56.08 ? 115 GLU B C 1 ATOM 1241 O O . GLU B 1 16 ? 20.729 -6.834 11.389 1.00 56.18 ? 115 GLU B O 1 ATOM 1242 C CB . GLU B 1 16 ? 22.981 -6.371 9.099 1.00 60.59 ? 115 GLU B CB 1 ATOM 1243 C CG . GLU B 1 16 ? 23.469 -6.771 7.702 1.00 61.62 ? 115 GLU B CG 1 ATOM 1244 C CD . GLU B 1 16 ? 24.171 -5.660 6.956 1.00 67.38 ? 115 GLU B CD 1 ATOM 1245 O OE1 . GLU B 1 16 ? 24.304 -5.783 5.712 1.00 73.99 ? 115 GLU B OE1 1 ATOM 1246 O OE2 . GLU B 1 16 ? 24.610 -4.681 7.597 1.00 66.15 ? 115 GLU B OE2 1 ATOM 1247 N N . GLU B 1 17 ? 22.812 -6.999 12.232 1.00 55.99 ? 116 GLU B N 1 ATOM 1248 C CA . GLU B 1 17 ? 22.428 -6.455 13.535 1.00 53.34 ? 116 GLU B CA 1 ATOM 1249 C C . GLU B 1 17 ? 21.879 -5.028 13.457 1.00 52.44 ? 116 GLU B C 1 ATOM 1250 O O . GLU B 1 17 ? 22.489 -4.145 12.841 1.00 53.37 ? 116 GLU B O 1 ATOM 1251 C CB . GLU B 1 17 ? 23.628 -6.434 14.457 1.00 57.48 ? 116 GLU B CB 1 ATOM 1252 C CG . GLU B 1 17 ? 23.288 -6.059 15.862 1.00 59.04 ? 116 GLU B CG 1 ATOM 1253 C CD . GLU B 1 17 ? 24.488 -6.186 16.750 1.00 66.04 ? 116 GLU B CD 1 ATOM 1254 O OE1 . GLU B 1 17 ? 24.649 -7.260 17.365 1.00 61.43 ? 116 GLU B OE1 1 ATOM 1255 O OE2 . GLU B 1 17 ? 25.284 -5.221 16.808 1.00 73.35 ? 116 GLU B OE2 1 ATOM 1256 N N . ASN B 1 18 ? 20.748 -4.795 14.111 1.00 49.31 ? 117 ASN B N 1 ATOM 1257 C CA . ASN B 1 18 ? 20.148 -3.460 14.129 1.00 48.82 ? 117 ASN B CA 1 ATOM 1258 C C . ASN B 1 18 ? 19.495 -3.061 12.839 1.00 45.24 ? 117 ASN B C 1 ATOM 1259 O O . ASN B 1 18 ? 19.040 -1.917 12.717 1.00 49.28 ? 117 ASN B O 1 ATOM 1260 C CB . ASN B 1 18 ? 21.166 -2.404 14.527 1.00 50.67 ? 117 ASN B CB 1 ATOM 1261 C CG . ASN B 1 18 ? 21.803 -2.733 15.853 1.00 54.95 ? 117 ASN B CG 1 ATOM 1262 O OD1 . ASN B 1 18 ? 21.251 -3.530 16.624 1.00 54.37 ? 117 ASN B OD1 1 ATOM 1263 N ND2 . ASN B 1 18 ? 22.957 -2.149 16.124 1.00 56.93 ? 117 ASN B ND2 1 ATOM 1264 N N . SER B 1 19 ? 19.424 -3.988 11.893 1.00 41.00 ? 118 SER B N 1 ATOM 1265 C CA . SER B 1 19 ? 18.566 -3.767 10.736 1.00 39.48 ? 118 SER B CA 1 ATOM 1266 C C . SER B 1 19 ? 17.130 -4.040 11.151 1.00 39.70 ? 118 SER B C 1 ATOM 1267 O O . SER B 1 19 ? 16.894 -4.747 12.119 1.00 40.25 ? 118 SER B O 1 ATOM 1268 C CB . SER B 1 19 ? 18.963 -4.669 9.581 1.00 40.65 ? 118 SER B CB 1 ATOM 1269 O OG . SER B 1 19 ? 18.858 -6.048 9.944 1.00 42.76 ? 118 SER B OG 1 ATOM 1270 N N . ARG B 1 20 ? 16.193 -3.431 10.432 1.00 39.61 ? 119 ARG B N 1 ATOM 1271 C CA . ARG B 1 20 ? 14.750 -3.646 10.597 1.00 40.96 ? 119 ARG B CA 1 ATOM 1272 C C . ARG B 1 20 ? 14.196 -3.671 9.175 1.00 41.05 ? 119 ARG B C 1 ATOM 1273 O O . ARG B 1 20 ? 14.871 -3.217 8.249 1.00 39.64 ? 119 ARG B O 1 ATOM 1274 C CB . ARG B 1 20 ? 14.113 -2.474 11.356 1.00 39.37 ? 119 ARG B CB 1 ATOM 1275 C CG . ARG B 1 20 ? 14.646 -2.274 12.740 1.00 41.27 ? 119 ARG B CG 1 ATOM 1276 C CD . ARG B 1 20 ? 13.733 -1.362 13.496 1.00 48.38 ? 119 ARG B CD 1 ATOM 1277 N NE . ARG B 1 20 ? 12.539 -2.073 13.923 1.00 48.24 ? 119 ARG B NE 1 ATOM 1278 C CZ . ARG B 1 20 ? 11.472 -1.478 14.450 1.00 53.41 ? 119 ARG B CZ 1 ATOM 1279 N NH1 . ARG B 1 20 ? 11.448 -0.157 14.623 1.00 53.54 ? 119 ARG B NH1 1 ATOM 1280 N NH2 . ARG B 1 20 ? 10.425 -2.210 14.806 1.00 55.29 ? 119 ARG B NH2 1 ATOM 1281 N N . ILE B 1 21 ? 12.990 -4.214 9.001 1.00 38.35 ? 120 ILE B N 1 ATOM 1282 C CA . ILE B 1 21 ? 12.362 -4.245 7.686 1.00 37.56 ? 120 ILE B CA 1 ATOM 1283 C C . ILE B 1 21 ? 11.238 -3.209 7.721 1.00 38.49 ? 120 ILE B C 1 ATOM 1284 O O . ILE B 1 21 ? 10.412 -3.201 8.631 1.00 39.76 ? 120 ILE B O 1 ATOM 1285 C CB . ILE B 1 21 ? 11.822 -5.669 7.345 1.00 41.43 ? 120 ILE B CB 1 ATOM 1286 C CG1 . ILE B 1 21 ? 12.982 -6.668 7.317 1.00 40.00 ? 120 ILE B CG1 1 ATOM 1287 C CG2 . ILE B 1 21 ? 11.037 -5.661 6.036 1.00 40.18 ? 120 ILE B CG2 1 ATOM 1288 C CD1 . ILE B 1 21 ? 12.600 -8.094 6.938 1.00 46.15 ? 120 ILE B CD1 1 ATOM 1289 N N . VAL B 1 22 ? 11.289 -2.286 6.775 1.00 36.65 ? 121 VAL B N 1 ATOM 1290 C CA . VAL B 1 22 ? 10.282 -1.252 6.654 1.00 36.81 ? 121 VAL B CA 1 ATOM 1291 C C . VAL B 1 22 ? 9.342 -1.682 5.530 1.00 36.32 ? 121 VAL B C 1 ATOM 1292 O O . VAL B 1 22 ? 9.783 -2.178 4.492 1.00 38.03 ? 121 VAL B O 1 ATOM 1293 C CB . VAL B 1 22 ? 10.909 0.119 6.332 1.00 36.81 ? 121 VAL B CB 1 ATOM 1294 C CG1 . VAL B 1 22 ? 11.696 0.041 5.037 1.00 36.94 ? 121 VAL B CG1 1 ATOM 1295 C CG2 . VAL B 1 22 ? 9.820 1.215 6.283 1.00 35.51 ? 121 VAL B CG2 1 ATOM 1296 N N . ARG B 1 23 ? 8.049 -1.509 5.769 1.00 35.09 ? 122 ARG B N 1 ATOM 1297 C CA . ARG B 1 23 ? 7.031 -1.798 4.789 1.00 35.31 ? 122 ARG B CA 1 ATOM 1298 C C . ARG B 1 23 ? 6.714 -0.456 4.176 1.00 34.85 ? 122 ARG B C 1 ATOM 1299 O O . ARG B 1 23 ? 6.174 0.407 4.858 1.00 36.71 ? 122 ARG B O 1 ATOM 1300 C CB . ARG B 1 23 ? 5.799 -2.346 5.520 1.00 38.36 ? 122 ARG B CB 1 ATOM 1301 C CG . ARG B 1 23 ? 4.711 -2.858 4.613 1.00 39.69 ? 122 ARG B CG 1 ATOM 1302 C CD . ARG B 1 23 ? 3.457 -3.226 5.410 1.00 45.10 ? 122 ARG B CD 1 ATOM 1303 N NE . ARG B 1 23 ? 3.748 -4.226 6.440 1.00 46.35 ? 122 ARG B NE 1 ATOM 1304 C CZ . ARG B 1 23 ? 3.870 -5.527 6.210 1.00 55.70 ? 122 ARG B CZ 1 ATOM 1305 N NH1 . ARG B 1 23 ? 3.736 -5.998 4.972 1.00 55.93 ? 122 ARG B NH1 1 ATOM 1306 N NH2 . ARG B 1 23 ? 4.107 -6.363 7.223 1.00 57.70 ? 122 ARG B NH2 1 ATOM 1307 N N . VAL B 1 24 ? 7.040 -0.278 2.894 1.00 34.02 ? 123 VAL B N 1 ATOM 1308 C CA . VAL B 1 24 ? 6.748 0.976 2.192 1.00 33.13 ? 123 VAL B CA 1 ATOM 1309 C C . VAL B 1 24 ? 5.524 0.778 1.287 1.00 35.16 ? 123 VAL B C 1 ATOM 1310 O O . VAL B 1 24 ? 5.578 0.049 0.282 1.00 36.19 ? 123 VAL B O 1 ATOM 1311 C CB . VAL B 1 24 ? 7.972 1.391 1.331 1.00 33.75 ? 123 VAL B CB 1 ATOM 1312 C CG1 . VAL B 1 24 ? 7.690 2.691 0.558 1.00 37.64 ? 123 VAL B CG1 1 ATOM 1313 C CG2 . VAL B 1 24 ? 9.237 1.532 2.204 1.00 32.41 ? 123 VAL B CG2 1 ATOM 1314 N N . ARG B 1 25 ? 4.401 1.399 1.635 1.00 32.15 ? 124 ARG B N 1 ATOM 1315 C CA . ARG B 1 25 ? 3.253 1.347 0.760 1.00 33.87 ? 124 ARG B CA 1 ATOM 1316 C C . ARG B 1 25 ? 3.247 2.596 -0.133 1.00 34.73 ? 124 ARG B C 1 ATOM 1317 O O . ARG B 1 25 ? 3.094 3.716 0.355 1.00 35.07 ? 124 ARG B O 1 ATOM 1318 C CB . ARG B 1 25 ? 1.943 1.226 1.560 1.00 36.58 ? 124 ARG B CB 1 ATOM 1319 C CG . ARG B 1 25 ? 0.764 0.914 0.672 1.00 46.41 ? 124 ARG B CG 1 ATOM 1320 C CD . ARG B 1 25 ? -0.462 0.560 1.485 1.00 61.04 ? 124 ARG B CD 1 ATOM 1321 N NE . ARG B 1 25 ? -0.504 -0.885 1.695 1.00 71.44 ? 124 ARG B NE 1 ATOM 1322 C CZ . ARG B 1 25 ? -1.474 -1.674 1.244 1.00 76.93 ? 124 ARG B CZ 1 ATOM 1323 N NH1 . ARG B 1 25 ? -2.496 -1.151 0.579 1.00 79.19 ? 124 ARG B NH1 1 ATOM 1324 N NH2 . ARG B 1 25 ? -1.433 -2.982 1.474 1.00 81.72 ? 124 ARG B NH2 1 ATOM 1325 N N . VAL B 1 26 ? 3.426 2.393 -1.439 1.00 31.12 ? 125 VAL B N 1 ATOM 1326 C CA . VAL B 1 26 ? 3.370 3.484 -2.418 1.00 31.36 ? 125 VAL B CA 1 ATOM 1327 C C . VAL B 1 26 ? 1.927 3.513 -2.871 1.00 33.08 ? 125 VAL B C 1 ATOM 1328 O O . VAL B 1 26 ? 1.463 2.631 -3.635 1.00 33.31 ? 125 VAL B O 1 ATOM 1329 C CB . VAL B 1 26 ? 4.305 3.200 -3.611 1.00 32.39 ? 125 VAL B CB 1 ATOM 1330 C CG1 . VAL B 1 26 ? 4.252 4.352 -4.616 1.00 34.57 ? 125 VAL B CG1 1 ATOM 1331 C CG2 . VAL B 1 26 ? 5.751 2.937 -3.129 1.00 34.28 ? 125 VAL B CG2 1 ATOM 1332 N N . ILE B 1 27 ? 1.185 4.486 -2.348 1.00 32.74 ? 126 ILE B N 1 ATOM 1333 C CA . ILE B 1 27 ? -0.268 4.404 -2.416 1.00 32.46 ? 126 ILE B CA 1 ATOM 1334 C C . ILE B 1 27 ? -0.772 5.046 -3.717 1.00 33.84 ? 126 ILE B C 1 ATOM 1335 O O . ILE B 1 27 ? -1.497 4.408 -4.483 1.00 37.55 ? 126 ILE B O 1 ATOM 1336 C CB . ILE B 1 27 ? -0.943 5.062 -1.210 1.00 34.72 ? 126 ILE B CB 1 ATOM 1337 C CG1 . ILE B 1 27 ? -0.574 4.344 0.114 1.00 35.02 ? 126 ILE B CG1 1 ATOM 1338 C CG2 . ILE B 1 27 ? -2.498 5.189 -1.435 1.00 37.08 ? 126 ILE B CG2 1 ATOM 1339 C CD1 . ILE B 1 27 ? -1.058 5.043 1.406 1.00 38.07 ? 126 ILE B CD1 1 ATOM 1340 N N . ALA B 1 28 ? -0.415 6.310 -3.950 1.00 31.02 ? 127 ALA B N 1 ATOM 1341 C CA . ALA B 1 28 ? -0.980 7.054 -5.058 1.00 30.38 ? 127 ALA B CA 1 ATOM 1342 C C . ALA B 1 28 ? -0.139 8.274 -5.383 1.00 32.15 ? 127 ALA B C 1 ATOM 1343 O O . ALA B 1 28 ? 0.619 8.766 -4.530 1.00 33.85 ? 127 ALA B O 1 ATOM 1344 C CB . ALA B 1 28 ? -2.424 7.512 -4.706 1.00 30.97 ? 127 ALA B CB 1 ATOM 1345 N N . GLY B 1 29 ? -0.294 8.754 -6.615 1.00 31.19 ? 128 GLY B N 1 ATOM 1346 C CA . GLY B 1 29 ? 0.128 10.113 -6.982 1.00 33.63 ? 128 GLY B CA 1 ATOM 1347 C C . GLY B 1 29 ? -1.097 10.973 -7.173 1.00 34.90 ? 128 GLY B C 1 ATOM 1348 O O . GLY B 1 29 ? -2.094 10.516 -7.710 1.00 34.37 ? 128 GLY B O 1 ATOM 1349 N N . ILE B 1 30 ? -1.045 12.225 -6.714 1.00 35.51 ? 129 ILE B N 1 ATOM 1350 C CA . ILE B 1 30 ? -2.247 13.085 -6.735 1.00 35.16 ? 129 ILE B CA 1 ATOM 1351 C C . ILE B 1 30 ? -1.928 14.373 -7.495 1.00 37.33 ? 129 ILE B C 1 ATOM 1352 O O . ILE B 1 30 ? -1.071 15.174 -7.059 1.00 35.80 ? 129 ILE B O 1 ATOM 1353 C CB . ILE B 1 30 ? -2.745 13.435 -5.271 1.00 38.30 ? 129 ILE B CB 1 ATOM 1354 C CG1 . ILE B 1 30 ? -3.078 12.176 -4.479 1.00 41.93 ? 129 ILE B CG1 1 ATOM 1355 C CG2 . ILE B 1 30 ? -4.056 14.207 -5.296 1.00 40.27 ? 129 ILE B CG2 1 ATOM 1356 C CD1 . ILE B 1 30 ? -1.966 11.684 -3.630 1.00 46.30 ? 129 ILE B CD1 1 ATOM 1357 N N . GLY B 1 31 ? -2.580 14.575 -8.634 1.00 36.07 ? 130 GLY B N 1 ATOM 1358 C CA . GLY B 1 31 ? -2.443 15.826 -9.374 1.00 36.45 ? 130 GLY B CA 1 ATOM 1359 C C . GLY B 1 31 ? -1.096 15.990 -10.045 1.00 36.47 ? 130 GLY B C 1 ATOM 1360 O O . GLY B 1 31 ? -0.511 17.085 -10.023 1.00 38.26 ? 130 GLY B O 1 ATOM 1361 N N . LEU B 1 32 ? -0.594 14.912 -10.651 1.00 35.47 ? 131 LEU B N 1 ATOM 1362 C CA . LEU B 1 32 ? 0.687 14.963 -11.360 1.00 34.01 ? 131 LEU B CA 1 ATOM 1363 C C . LEU B 1 32 ? 0.656 15.895 -12.577 1.00 38.45 ? 131 LEU B C 1 ATOM 1364 O O . LEU B 1 32 ? -0.422 16.152 -13.167 1.00 38.04 ? 131 LEU B O 1 ATOM 1365 C CB . LEU B 1 32 ? 1.087 13.549 -11.793 1.00 34.67 ? 131 LEU B CB 1 ATOM 1366 C CG . LEU B 1 32 ? 1.183 12.484 -10.688 1.00 33.66 ? 131 LEU B CG 1 ATOM 1367 C CD1 . LEU B 1 32 ? 1.594 11.124 -11.306 1.00 34.01 ? 131 LEU B CD1 1 ATOM 1368 C CD2 . LEU B 1 32 ? 2.193 12.999 -9.667 1.00 35.94 ? 131 LEU B CD2 1 ATOM 1369 N N . ALA B 1 33 ? 1.844 16.378 -12.963 1.00 37.71 ? 132 ALA B N 1 ATOM 1370 C CA . ALA B 1 33 ? 1.974 17.328 -14.082 1.00 42.10 ? 132 ALA B CA 1 ATOM 1371 C C . ALA B 1 33 ? 1.565 16.689 -15.400 1.00 40.45 ? 132 ALA B C 1 ATOM 1372 O O . ALA B 1 33 ? 2.014 15.594 -15.738 1.00 41.66 ? 132 ALA B O 1 ATOM 1373 C CB . ALA B 1 33 ? 3.435 17.849 -14.185 1.00 43.54 ? 132 ALA B CB 1 ATOM 1374 N N . LYS B 1 34 ? 0.730 17.383 -16.156 1.00 42.70 ? 133 LYS B N 1 ATOM 1375 C CA . LYS B 1 34 ? 0.404 16.970 -17.526 1.00 46.04 ? 133 LYS B CA 1 ATOM 1376 C C . LYS B 1 34 ? 1.671 17.052 -18.435 1.00 46.99 ? 133 LYS B C 1 ATOM 1377 O O . LYS B 1 34 ? 2.349 18.082 -18.474 1.00 47.93 ? 133 LYS B O 1 ATOM 1378 C CB . LYS B 1 34 ? -0.700 17.891 -18.070 1.00 48.66 ? 133 LYS B CB 1 ATOM 1379 C CG . LYS B 1 34 ? -1.540 17.280 -19.154 1.00 51.49 ? 133 LYS B CG 1 ATOM 1380 C CD . LYS B 1 34 ? -2.647 18.207 -19.608 1.00 59.79 ? 133 LYS B CD 1 ATOM 1381 C CE . LYS B 1 34 ? -3.885 18.035 -18.736 1.00 66.02 ? 133 LYS B CE 1 ATOM 1382 N NZ . LYS B 1 34 ? -4.533 16.686 -18.808 1.00 66.39 ? 133 LYS B NZ 1 ATOM 1383 N N . LYS B 1 35 ? 1.998 15.969 -19.140 1.00 43.54 ? 134 LYS B N 1 ATOM 1384 C CA . LYS B 1 35 ? 3.151 15.968 -20.046 1.00 42.96 ? 134 LYS B CA 1 ATOM 1385 C C . LYS B 1 35 ? 2.716 16.014 -21.508 1.00 44.18 ? 134 LYS B C 1 ATOM 1386 O O . LYS B 1 35 ? 3.543 16.245 -22.387 1.00 46.02 ? 134 LYS B O 1 ATOM 1387 C CB . LYS B 1 35 ? 3.996 14.699 -19.832 1.00 43.14 ? 134 LYS B CB 1 ATOM 1388 C CG . LYS B 1 35 ? 4.664 14.572 -18.461 1.00 44.25 ? 134 LYS B CG 1 ATOM 1389 C CD . LYS B 1 35 ? 5.786 15.596 -18.325 1.00 50.56 ? 134 LYS B CD 1 ATOM 1390 C CE . LYS B 1 35 ? 6.954 15.038 -17.530 1.00 51.08 ? 134 LYS B CE 1 ATOM 1391 N NZ . LYS B 1 35 ? 8.070 16.014 -17.535 1.00 53.20 ? 134 LYS B NZ 1 ATOM 1392 N N . ASP B 1 36 ? 1.434 15.740 -21.761 1.00 41.78 ? 135 ASP B N 1 ATOM 1393 C CA . ASP B 1 36 ? 0.867 15.709 -23.120 1.00 43.90 ? 135 ASP B CA 1 ATOM 1394 C C . ASP B 1 36 ? -0.591 16.133 -23.015 1.00 44.67 ? 135 ASP B C 1 ATOM 1395 O O . ASP B 1 36 ? -1.147 16.097 -21.919 1.00 44.08 ? 135 ASP B O 1 ATOM 1396 C CB . ASP B 1 36 ? 0.915 14.297 -23.687 1.00 42.55 ? 135 ASP B CB 1 ATOM 1397 C CG . ASP B 1 36 ? 0.106 13.284 -22.820 1.00 45.96 ? 135 ASP B CG 1 ATOM 1398 O OD1 . ASP B 1 36 ? 0.680 12.733 -21.840 1.00 44.29 ? 135 ASP B OD1 1 ATOM 1399 O OD2 . ASP B 1 36 ? -1.100 13.059 -23.100 1.00 41.87 ? 135 ASP B OD2 1 ATOM 1400 N N . ILE B 1 37 ? -1.230 16.471 -24.142 1.00 48.53 ? 136 ILE B N 1 ATOM 1401 C CA . ILE B 1 37 ? -2.567 17.116 -24.077 1.00 51.74 ? 136 ILE B CA 1 ATOM 1402 C C . ILE B 1 37 ? -3.679 16.254 -23.468 1.00 53.28 ? 136 ILE B C 1 ATOM 1403 O O . ILE B 1 37 ? -4.675 16.775 -22.935 1.00 54.14 ? 136 ILE B O 1 ATOM 1404 C CB . ILE B 1 37 ? -3.021 17.675 -25.438 1.00 57.18 ? 136 ILE B CB 1 ATOM 1405 C CG1 . ILE B 1 37 ? -3.019 16.586 -26.518 1.00 57.77 ? 136 ILE B CG1 1 ATOM 1406 C CG2 . ILE B 1 37 ? -2.150 18.864 -25.847 1.00 58.03 ? 136 ILE B CG2 1 ATOM 1407 C CD1 . ILE B 1 37 ? -4.232 16.636 -27.399 1.00 62.28 ? 136 ILE B CD1 1 ATOM 1408 N N . LEU B 1 38 ? -3.500 14.938 -23.541 1.00 50.51 ? 137 LEU B N 1 ATOM 1409 C CA . LEU B 1 38 ? -4.535 13.988 -23.120 1.00 51.47 ? 137 LEU B CA 1 ATOM 1410 C C . LEU B 1 38 ? -4.350 13.571 -21.681 1.00 48.87 ? 137 LEU B C 1 ATOM 1411 O O . LEU B 1 38 ? -5.161 12.814 -21.127 1.00 51.12 ? 137 LEU B O 1 ATOM 1412 C CB . LEU B 1 38 ? -4.495 12.761 -24.017 1.00 50.67 ? 137 LEU B CB 1 ATOM 1413 C CG . LEU B 1 38 ? -4.782 13.060 -25.495 1.00 50.84 ? 137 LEU B CG 1 ATOM 1414 C CD1 . LEU B 1 38 ? -4.827 11.758 -26.269 1.00 55.47 ? 137 LEU B CD1 1 ATOM 1415 C CD2 . LEU B 1 38 ? -6.086 13.840 -25.651 1.00 54.89 ? 137 LEU B CD2 1 ATOM 1416 N N . GLY B 1 39 ? -3.266 14.054 -21.085 1.00 47.85 ? 138 GLY B N 1 ATOM 1417 C CA . GLY B 1 39 ? -2.859 13.622 -19.761 1.00 45.35 ? 138 GLY B CA 1 ATOM 1418 C C . GLY B 1 39 ? -2.601 12.127 -19.761 1.00 45.75 ? 138 GLY B C 1 ATOM 1419 O O . GLY B 1 39 ? -2.822 11.456 -18.743 1.00 43.87 ? 138 GLY B O 1 ATOM 1420 N N . ALA B 1 40 ? -2.103 11.613 -20.893 1.00 45.36 ? 139 ALA B N 1 ATOM 1421 C CA . ALA B 1 40 ? -1.861 10.161 -21.066 1.00 44.15 ? 139 ALA B CA 1 ATOM 1422 C C . ALA B 1 40 ? -0.536 9.671 -20.448 1.00 42.54 ? 139 ALA B C 1 ATOM 1423 O O . ALA B 1 40 ? 0.213 8.919 -21.082 1.00 42.61 ? 139 ALA B O 1 ATOM 1424 C CB . ALA B 1 40 ? -1.940 9.792 -22.548 1.00 43.99 ? 139 ALA B CB 1 ATOM 1425 N N . SER B 1 41 ? -0.232 10.098 -19.221 1.00 40.45 ? 140 SER B N 1 ATOM 1426 C CA . SER B 1 41 ? 0.957 9.597 -18.544 1.00 39.15 ? 140 SER B CA 1 ATOM 1427 C C . SER B 1 41 ? 0.700 8.168 -18.107 1.00 38.79 ? 140 SER B C 1 ATOM 1428 O O . SER B 1 41 ? -0.433 7.812 -17.743 1.00 39.47 ? 140 SER B O 1 ATOM 1429 C CB . SER B 1 41 ? 1.313 10.454 -17.307 1.00 37.72 ? 140 SER B CB 1 ATOM 1430 O OG . SER B 1 41 ? 1.891 11.682 -17.719 1.00 41.95 ? 140 SER B OG 1 ATOM 1431 N N . ASP B 1 42 ? 1.777 7.388 -18.093 1.00 36.83 ? 141 ASP B N 1 ATOM 1432 C CA . ASP B 1 42 ? 1.768 6.033 -17.580 1.00 35.80 ? 141 ASP B CA 1 ATOM 1433 C C . ASP B 1 42 ? 2.757 6.016 -16.405 1.00 33.04 ? 141 ASP B C 1 ATOM 1434 O O . ASP B 1 42 ? 3.946 5.604 -16.553 1.00 34.41 ? 141 ASP B O 1 ATOM 1435 C CB . ASP B 1 42 ? 2.203 5.047 -18.666 1.00 37.02 ? 141 ASP B CB 1 ATOM 1436 C CG . ASP B 1 42 ? 1.262 5.009 -19.871 1.00 42.69 ? 141 ASP B CG 1 ATOM 1437 O OD1 . ASP B 1 42 ? 0.033 5.285 -19.778 1.00 41.74 ? 141 ASP B OD1 1 ATOM 1438 O OD2 . ASP B 1 42 ? 1.786 4.660 -20.950 1.00 44.87 ? 141 ASP B OD2 1 ATOM 1439 N N . PRO B 1 43 ? 2.305 6.498 -15.238 1.00 33.28 ? 142 PRO B N 1 ATOM 1440 C CA . PRO B 1 43 ? 3.269 6.683 -14.126 1.00 31.19 ? 142 PRO B CA 1 ATOM 1441 C C . PRO B 1 43 ? 3.713 5.432 -13.386 1.00 30.29 ? 142 PRO B C 1 ATOM 1442 O O . PRO B 1 43 ? 2.905 4.509 -13.162 1.00 33.07 ? 142 PRO B O 1 ATOM 1443 C CB . PRO B 1 43 ? 2.543 7.619 -13.152 1.00 33.38 ? 142 PRO B CB 1 ATOM 1444 C CG . PRO B 1 43 ? 1.225 8.023 -13.825 1.00 34.36 ? 142 PRO B CG 1 ATOM 1445 C CD . PRO B 1 43 ? 0.954 7.005 -14.921 1.00 32.14 ? 142 PRO B CD 1 ATOM 1446 N N . TYR B 1 44 ? 4.997 5.409 -13.030 1.00 30.75 ? 143 TYR B N 1 ATOM 1447 C CA . TYR B 1 44 ? 5.502 4.448 -12.056 1.00 30.48 ? 143 TYR B CA 1 ATOM 1448 C C . TYR B 1 44 ? 6.458 5.173 -11.107 1.00 31.34 ? 143 TYR B C 1 ATOM 1449 O O . TYR B 1 44 ? 6.870 6.327 -11.365 1.00 33.05 ? 143 TYR B O 1 ATOM 1450 C CB . TYR B 1 44 ? 6.206 3.286 -12.768 1.00 31.82 ? 143 TYR B CB 1 ATOM 1451 C CG . TYR B 1 44 ? 7.395 3.710 -13.609 1.00 34.50 ? 143 TYR B CG 1 ATOM 1452 C CD1 . TYR B 1 44 ? 7.226 4.201 -14.897 1.00 34.28 ? 143 TYR B CD1 1 ATOM 1453 C CD2 . TYR B 1 44 ? 8.708 3.687 -13.073 1.00 35.62 ? 143 TYR B CD2 1 ATOM 1454 C CE1 . TYR B 1 44 ? 8.346 4.596 -15.684 1.00 38.76 ? 143 TYR B CE1 1 ATOM 1455 C CE2 . TYR B 1 44 ? 9.809 4.093 -13.845 1.00 37.00 ? 143 TYR B CE2 1 ATOM 1456 C CZ . TYR B 1 44 ? 9.614 4.525 -15.154 1.00 36.64 ? 143 TYR B CZ 1 ATOM 1457 O OH . TYR B 1 44 ? 10.709 4.929 -15.915 1.00 38.76 ? 143 TYR B OH 1 ATOM 1458 N N . VAL B 1 45 ? 6.842 4.507 -10.022 1.00 30.83 ? 144 VAL B N 1 ATOM 1459 C CA . VAL B 1 45 ? 7.777 5.130 -9.082 1.00 29.70 ? 144 VAL B CA 1 ATOM 1460 C C . VAL B 1 45 ? 8.992 4.231 -8.954 1.00 34.63 ? 144 VAL B C 1 ATOM 1461 O O . VAL B 1 45 ? 8.845 3.009 -8.768 1.00 34.36 ? 144 VAL B O 1 ATOM 1462 C CB . VAL B 1 45 ? 7.135 5.298 -7.679 1.00 30.03 ? 144 VAL B CB 1 ATOM 1463 C CG1 . VAL B 1 45 ? 8.051 6.128 -6.781 1.00 33.23 ? 144 VAL B CG1 1 ATOM 1464 C CG2 . VAL B 1 45 ? 5.767 5.933 -7.771 1.00 31.67 ? 144 VAL B CG2 1 ATOM 1465 N N . ARG B 1 46 ? 10.192 4.818 -9.046 1.00 33.18 ? 145 ARG B N 1 ATOM 1466 C CA . ARG B 1 46 ? 11.414 4.111 -8.724 1.00 33.40 ? 145 ARG B CA 1 ATOM 1467 C C . ARG B 1 46 ? 11.755 4.500 -7.281 1.00 34.32 ? 145 ARG B C 1 ATOM 1468 O O . ARG B 1 46 ? 11.827 5.712 -6.960 1.00 33.42 ? 145 ARG B O 1 ATOM 1469 C CB . ARG B 1 46 ? 12.528 4.556 -9.670 1.00 33.85 ? 145 ARG B CB 1 ATOM 1470 C CG . ARG B 1 46 ? 13.906 3.941 -9.372 1.00 36.97 ? 145 ARG B CG 1 ATOM 1471 C CD . ARG B 1 46 ? 14.906 4.422 -10.386 1.00 42.44 ? 145 ARG B CD 1 ATOM 1472 N NE . ARG B 1 46 ? 14.458 4.099 -11.741 1.00 49.17 ? 145 ARG B NE 1 ATOM 1473 C CZ . ARG B 1 46 ? 14.825 4.740 -12.853 1.00 58.23 ? 145 ARG B CZ 1 ATOM 1474 N NH1 . ARG B 1 46 ? 15.680 5.768 -12.818 1.00 58.68 ? 145 ARG B NH1 1 ATOM 1475 N NH2 . ARG B 1 46 ? 14.330 4.344 -14.014 1.00 60.42 ? 145 ARG B NH2 1 ATOM 1476 N N . VAL B 1 47 ? 11.943 3.498 -6.427 1.00 31.19 ? 146 VAL B N 1 ATOM 1477 C CA . VAL B 1 47 ? 12.226 3.735 -4.996 1.00 31.00 ? 146 VAL B CA 1 ATOM 1478 C C . VAL B 1 47 ? 13.657 3.254 -4.748 1.00 31.82 ? 146 VAL B C 1 ATOM 1479 O O . VAL B 1 47 ? 13.984 2.102 -4.969 1.00 32.41 ? 146 VAL B O 1 ATOM 1480 C CB . VAL B 1 47 ? 11.264 2.944 -4.102 1.00 32.57 ? 146 VAL B CB 1 ATOM 1481 C CG1 . VAL B 1 47 ? 11.473 3.257 -2.600 1.00 32.26 ? 146 VAL B CG1 1 ATOM 1482 C CG2 . VAL B 1 47 ? 9.770 3.237 -4.493 1.00 33.56 ? 146 VAL B CG2 1 ATOM 1483 N N . THR B 1 48 ? 14.506 4.175 -4.326 1.00 29.86 ? 147 THR B N 1 ATOM 1484 C CA . THR B 1 48 ? 15.931 3.904 -4.156 1.00 31.36 ? 147 THR B CA 1 ATOM 1485 C C . THR B 1 48 ? 16.274 4.004 -2.674 1.00 32.02 ? 147 THR B C 1 ATOM 1486 O O . THR B 1 48 ? 16.039 5.035 -2.041 1.00 33.35 ? 147 THR B O 1 ATOM 1487 C CB . THR B 1 48 ? 16.771 4.932 -4.946 1.00 34.21 ? 147 THR B CB 1 ATOM 1488 O OG1 . THR B 1 48 ? 16.574 4.755 -6.358 1.00 35.63 ? 147 THR B OG1 1 ATOM 1489 C CG2 . THR B 1 48 ? 18.248 4.794 -4.615 1.00 31.55 ? 147 THR B CG2 1 ATOM 1490 N N . LEU B 1 49 ? 16.841 2.938 -2.142 1.00 30.12 ? 148 LEU B N 1 ATOM 1491 C CA . LEU B 1 49 ? 17.369 2.924 -0.799 1.00 30.00 ? 148 LEU B CA 1 ATOM 1492 C C . LEU B 1 49 ? 18.849 3.360 -0.897 1.00 31.26 ? 148 LEU B C 1 ATOM 1493 O O . LEU B 1 49 ? 19.620 2.724 -1.620 1.00 32.24 ? 148 LEU B O 1 ATOM 1494 C CB . LEU B 1 49 ? 17.298 1.469 -0.280 1.00 32.47 ? 148 LEU B CB 1 ATOM 1495 C CG . LEU B 1 49 ? 17.876 1.235 1.129 1.00 32.30 ? 148 LEU B CG 1 ATOM 1496 C CD1 . LEU B 1 49 ? 17.072 2.037 2.193 1.00 36.64 ? 148 LEU B CD1 1 ATOM 1497 C CD2 . LEU B 1 49 ? 17.926 -0.258 1.496 1.00 34.90 ? 148 LEU B CD2 1 ATOM 1498 N N . TYR B 1 50 ? 19.247 4.374 -0.144 1.00 30.87 ? 149 TYR B N 1 ATOM 1499 C CA . TYR B 1 50 ? 20.659 4.818 -0.167 1.00 30.09 ? 149 TYR B CA 1 ATOM 1500 C C . TYR B 1 50 ? 21.162 5.189 1.227 1.00 32.29 ? 149 TYR B C 1 ATOM 1501 O O . TYR B 1 50 ? 20.377 5.397 2.162 1.00 31.21 ? 149 TYR B O 1 ATOM 1502 C CB . TYR B 1 50 ? 20.805 6.004 -1.135 1.00 31.23 ? 149 TYR B CB 1 ATOM 1503 C CG . TYR B 1 50 ? 20.251 7.326 -0.641 1.00 29.60 ? 149 TYR B CG 1 ATOM 1504 C CD1 . TYR B 1 50 ? 18.923 7.723 -0.924 1.00 32.16 ? 149 TYR B CD1 1 ATOM 1505 C CD2 . TYR B 1 50 ? 21.062 8.223 0.112 1.00 30.20 ? 149 TYR B CD2 1 ATOM 1506 C CE1 . TYR B 1 50 ? 18.430 8.979 -0.465 1.00 32.00 ? 149 TYR B CE1 1 ATOM 1507 C CE2 . TYR B 1 50 ? 20.569 9.449 0.549 1.00 31.72 ? 149 TYR B CE2 1 ATOM 1508 C CZ . TYR B 1 50 ? 19.269 9.826 0.249 1.00 32.84 ? 149 TYR B CZ 1 ATOM 1509 O OH . TYR B 1 50 ? 18.823 11.060 0.682 1.00 35.65 ? 149 TYR B OH 1 ATOM 1510 N N . ASP B 1 51 ? 22.485 5.250 1.331 1.00 32.17 ? 150 ASP B N 1 ATOM 1511 C CA . ASP B 1 51 ? 23.197 5.637 2.507 1.00 36.35 ? 150 ASP B CA 1 ATOM 1512 C C . ASP B 1 51 ? 23.954 6.918 2.117 1.00 35.16 ? 150 ASP B C 1 ATOM 1513 O O . ASP B 1 51 ? 24.784 6.912 1.205 1.00 33.60 ? 150 ASP B O 1 ATOM 1514 C CB . ASP B 1 51 ? 24.163 4.483 2.858 1.00 41.08 ? 150 ASP B CB 1 ATOM 1515 C CG . ASP B 1 51 ? 25.134 4.829 3.954 1.00 47.90 ? 150 ASP B CG 1 ATOM 1516 O OD1 . ASP B 1 51 ? 25.048 5.922 4.516 1.00 47.08 ? 150 ASP B OD1 1 ATOM 1517 O OD2 . ASP B 1 51 ? 26.008 3.986 4.255 1.00 58.38 ? 150 ASP B OD2 1 ATOM 1518 N N . PRO B 1 52 ? 23.683 8.020 2.819 1.00 36.62 ? 151 PRO B N 1 ATOM 1519 C CA . PRO B 1 52 ? 24.385 9.270 2.535 1.00 35.57 ? 151 PRO B CA 1 ATOM 1520 C C . PRO B 1 52 ? 25.906 9.112 2.395 1.00 37.87 ? 151 PRO B C 1 ATOM 1521 O O . PRO B 1 52 ? 26.519 9.770 1.535 1.00 38.87 ? 151 PRO B O 1 ATOM 1522 C CB . PRO B 1 52 ? 24.014 10.159 3.733 1.00 35.53 ? 151 PRO B CB 1 ATOM 1523 C CG . PRO B 1 52 ? 22.589 9.685 4.092 1.00 39.08 ? 151 PRO B CG 1 ATOM 1524 C CD . PRO B 1 52 ? 22.688 8.162 3.911 1.00 37.66 ? 151 PRO B CD 1 ATOM 1525 N N . MET B 1 53 ? 26.513 8.236 3.212 1.00 35.89 ? 152 MET B N 1 ATOM 1526 C CA . MET B 1 53 ? 27.976 8.121 3.224 1.00 42.04 ? 152 MET B CA 1 ATOM 1527 C C . MET B 1 53 ? 28.523 7.176 2.180 1.00 42.51 ? 152 MET B C 1 ATOM 1528 O O . MET B 1 53 ? 29.745 7.051 2.079 1.00 44.95 ? 152 MET B O 1 ATOM 1529 C CB . MET B 1 53 ? 28.495 7.680 4.606 1.00 43.23 ? 152 MET B CB 1 ATOM 1530 C CG . MET B 1 53 ? 28.082 8.567 5.759 1.00 47.15 ? 152 MET B CG 1 ATOM 1531 S SD . MET B 1 53 ? 28.839 10.186 5.652 1.00 56.97 ? 152 MET B SD 1 ATOM 1532 C CE . MET B 1 53 ? 28.630 10.729 7.364 1.00 53.31 ? 152 MET B CE 1 ATOM 1533 N N . ASN B 1 54 ? 27.648 6.496 1.432 1.00 41.59 ? 153 ASN B N 1 ATOM 1534 C CA . ASN B 1 54 ? 28.075 5.451 0.482 1.00 47.19 ? 153 ASN B CA 1 ATOM 1535 C C . ASN B 1 54 ? 27.337 5.449 -0.845 1.00 45.65 ? 153 ASN B C 1 ATOM 1536 O O . ASN B 1 54 ? 27.830 4.896 -1.834 1.00 53.10 ? 153 ASN B O 1 ATOM 1537 C CB . ASN B 1 54 ? 27.945 4.047 1.103 1.00 46.93 ? 153 ASN B CB 1 ATOM 1538 N N . GLY B 1 55 ? 26.154 6.032 -0.876 1.00 42.31 ? 154 GLY B N 1 ATOM 1539 C CA . GLY B 1 55 ? 25.375 6.022 -2.094 1.00 41.06 ? 154 GLY B CA 1 ATOM 1540 C C . GLY B 1 55 ? 24.365 4.878 -2.102 1.00 40.27 ? 154 GLY B C 1 ATOM 1541 O O . GLY B 1 55 ? 23.990 4.339 -1.045 1.00 37.58 ? 154 GLY B O 1 ATOM 1542 N N . VAL B 1 56 ? 23.928 4.527 -3.314 1.00 41.37 ? 155 VAL B N 1 ATOM 1543 C CA . VAL B 1 56 ? 22.788 3.630 -3.532 1.00 38.34 ? 155 VAL B CA 1 ATOM 1544 C C . VAL B 1 56 ? 23.076 2.209 -3.112 1.00 39.19 ? 155 VAL B C 1 ATOM 1545 O O . VAL B 1 56 ? 24.116 1.670 -3.437 1.00 42.59 ? 155 VAL B O 1 ATOM 1546 C CB . VAL B 1 56 ? 22.400 3.592 -4.997 1.00 38.78 ? 155 VAL B CB 1 ATOM 1547 C CG1 . VAL B 1 56 ? 21.149 2.707 -5.189 1.00 40.00 ? 155 VAL B CG1 1 ATOM 1548 C CG2 . VAL B 1 56 ? 22.150 4.980 -5.464 1.00 46.89 ? 155 VAL B CG2 1 ATOM 1549 N N . LEU B 1 57 ? 22.133 1.607 -2.393 1.00 36.98 ? 156 LEU B N 1 ATOM 1550 C CA . LEU B 1 57 ? 22.173 0.184 -2.099 1.00 40.46 ? 156 LEU B CA 1 ATOM 1551 C C . LEU B 1 57 ? 21.397 -0.557 -3.154 1.00 40.83 ? 156 LEU B C 1 ATOM 1552 O O . LEU B 1 57 ? 21.899 -1.509 -3.748 1.00 43.05 ? 156 LEU B O 1 ATOM 1553 C CB . LEU B 1 57 ? 21.522 -0.105 -0.747 1.00 43.61 ? 156 LEU B CB 1 ATOM 1554 C CG . LEU B 1 57 ? 22.358 0.014 0.519 1.00 51.08 ? 156 LEU B CG 1 ATOM 1555 C CD1 . LEU B 1 57 ? 22.327 1.428 1.035 1.00 52.25 ? 156 LEU B CD1 1 ATOM 1556 C CD2 . LEU B 1 57 ? 21.810 -0.969 1.548 1.00 55.34 ? 156 LEU B CD2 1 ATOM 1557 N N . THR B 1 58 ? 20.144 -0.163 -3.365 1.00 38.11 ? 157 THR B N 1 ATOM 1558 C CA . THR B 1 58 ? 19.312 -0.879 -4.326 1.00 39.63 ? 157 THR B CA 1 ATOM 1559 C C . THR B 1 58 ? 18.195 0.021 -4.833 1.00 37.70 ? 157 THR B C 1 ATOM 1560 O O . THR B 1 58 ? 17.900 1.043 -4.218 1.00 35.44 ? 157 THR B O 1 ATOM 1561 C CB . THR B 1 58 ? 18.714 -2.190 -3.705 1.00 42.00 ? 157 THR B CB 1 ATOM 1562 O OG1 . THR B 1 58 ? 18.167 -3.003 -4.756 1.00 52.15 ? 157 THR B OG1 1 ATOM 1563 C CG2 . THR B 1 58 ? 17.631 -1.912 -2.728 1.00 40.47 ? 157 THR B CG2 1 ATOM 1564 N N . SER B 1 59 ? 17.566 -0.350 -5.934 1.00 35.26 ? 158 SER B N 1 ATOM 1565 C CA . SER B 1 59 ? 16.354 0.371 -6.329 1.00 37.27 ? 158 SER B CA 1 ATOM 1566 C C . SER B 1 59 ? 15.319 -0.612 -6.853 1.00 36.90 ? 158 SER B C 1 ATOM 1567 O O . SER B 1 59 ? 15.665 -1.707 -7.370 1.00 37.80 ? 158 SER B O 1 ATOM 1568 C CB . SER B 1 59 ? 16.647 1.448 -7.374 1.00 37.80 ? 158 SER B CB 1 ATOM 1569 O OG . SER B 1 59 ? 17.058 0.832 -8.577 1.00 48.53 ? 158 SER B OG 1 ATOM 1570 N N . VAL B 1 60 ? 14.063 -0.231 -6.700 1.00 37.46 ? 159 VAL B N 1 ATOM 1571 C CA . VAL B 1 60 ? 12.914 -1.078 -6.991 1.00 38.91 ? 159 VAL B CA 1 ATOM 1572 C C . VAL B 1 60 ? 11.872 -0.194 -7.669 1.00 39.61 ? 159 VAL B C 1 ATOM 1573 O O . VAL B 1 60 ? 11.603 0.946 -7.221 1.00 39.19 ? 159 VAL B O 1 ATOM 1574 C CB . VAL B 1 60 ? 12.273 -1.636 -5.662 1.00 39.80 ? 159 VAL B CB 1 ATOM 1575 C CG1 . VAL B 1 60 ? 11.101 -2.546 -5.944 1.00 46.06 ? 159 VAL B CG1 1 ATOM 1576 C CG2 . VAL B 1 60 ? 13.308 -2.409 -4.847 1.00 47.63 ? 159 VAL B CG2 1 ATOM 1577 N N . GLN B 1 61 ? 11.215 -0.747 -8.686 1.00 36.39 ? 160 GLN B N 1 ATOM 1578 C CA . GLN B 1 61 ? 10.278 0.023 -9.457 1.00 35.56 ? 160 GLN B CA 1 ATOM 1579 C C . GLN B 1 61 ? 8.894 -0.543 -9.218 1.00 35.07 ? 160 GLN B C 1 ATOM 1580 O O . GLN B 1 61 ? 8.708 -1.780 -9.255 1.00 35.15 ? 160 GLN B O 1 ATOM 1581 C CB . GLN B 1 61 ? 10.684 -0.077 -10.921 1.00 37.72 ? 160 GLN B CB 1 ATOM 1582 C CG . GLN B 1 61 ? 9.896 0.727 -11.864 1.00 43.76 ? 160 GLN B CG 1 ATOM 1583 C CD . GLN B 1 61 ? 10.544 0.725 -13.260 1.00 45.93 ? 160 GLN B CD 1 ATOM 1584 O OE1 . GLN B 1 61 ? 11.717 1.021 -13.397 1.00 41.94 ? 160 GLN B OE1 1 ATOM 1585 N NE2 . GLN B 1 61 ? 9.764 0.419 -14.283 1.00 44.81 ? 160 GLN B NE2 1 ATOM 1586 N N . THR B 1 62 ? 7.923 0.329 -8.967 1.00 34.13 ? 161 THR B N 1 ATOM 1587 C CA . THR B 1 62 ? 6.508 -0.119 -8.879 1.00 34.95 ? 161 THR B CA 1 ATOM 1588 C C . THR B 1 62 ? 5.982 -0.546 -10.244 1.00 35.15 ? 161 THR B C 1 ATOM 1589 O O . THR B 1 62 ? 6.618 -0.275 -11.277 1.00 36.16 ? 161 THR B O 1 ATOM 1590 C CB . THR B 1 62 ? 5.538 0.997 -8.417 1.00 35.39 ? 161 THR B CB 1 ATOM 1591 O OG1 . THR B 1 62 ? 5.449 2.034 -9.410 1.00 34.50 ? 161 THR B OG1 1 ATOM 1592 C CG2 . THR B 1 62 ? 5.893 1.555 -7.009 1.00 37.63 ? 161 THR B CG2 1 ATOM 1593 N N . LYS B 1 63 ? 4.806 -1.173 -10.258 1.00 36.99 ? 162 LYS B N 1 ATOM 1594 C CA . LYS B 1 63 ? 4.093 -1.401 -11.514 1.00 39.95 ? 162 LYS B CA 1 ATOM 1595 C C . LYS B 1 63 ? 3.736 -0.054 -12.151 1.00 39.22 ? 162 LYS B C 1 ATOM 1596 O O . LYS B 1 63 ? 3.684 0.972 -11.479 1.00 35.98 ? 162 LYS B O 1 ATOM 1597 C CB . LYS B 1 63 ? 2.825 -2.220 -11.301 1.00 43.00 ? 162 LYS B CB 1 ATOM 1598 C CG . LYS B 1 63 ? 3.096 -3.682 -10.885 1.00 49.13 ? 162 LYS B CG 1 ATOM 1599 C CD . LYS B 1 63 ? 1.780 -4.488 -10.880 1.00 55.66 ? 162 LYS B CD 1 ATOM 1600 C CE . LYS B 1 63 ? 1.642 -5.488 -9.697 1.00 64.58 ? 162 LYS B CE 1 ATOM 1601 N NZ . LYS B 1 63 ? 2.928 -6.061 -9.223 1.00 64.04 ? 162 LYS B NZ 1 ATOM 1602 N N . THR B 1 64 ? 3.515 -0.077 -13.457 1.00 37.84 ? 163 THR B N 1 ATOM 1603 C CA . THR B 1 64 ? 3.089 1.114 -14.185 1.00 35.28 ? 163 THR B CA 1 ATOM 1604 C C . THR B 1 64 ? 1.568 1.164 -14.254 1.00 37.61 ? 163 THR B C 1 ATOM 1605 O O . THR B 1 64 ? 0.910 0.145 -14.584 1.00 39.85 ? 163 THR B O 1 ATOM 1606 C CB . THR B 1 64 ? 3.629 1.051 -15.602 1.00 38.92 ? 163 THR B CB 1 ATOM 1607 O OG1 . THR B 1 64 ? 5.052 1.074 -15.554 1.00 37.28 ? 163 THR B OG1 1 ATOM 1608 C CG2 . THR B 1 64 ? 3.096 2.193 -16.455 1.00 38.05 ? 163 THR B CG2 1 ATOM 1609 N N . ILE B 1 65 ? 1.009 2.335 -13.973 1.00 36.23 ? 164 ILE B N 1 ATOM 1610 C CA . ILE B 1 65 ? -0.434 2.562 -14.143 1.00 37.35 ? 164 ILE B CA 1 ATOM 1611 C C . ILE B 1 65 ? -0.622 3.287 -15.483 1.00 38.77 ? 164 ILE B C 1 ATOM 1612 O O . ILE B 1 65 ? 0.142 4.193 -15.819 1.00 37.63 ? 164 ILE B O 1 ATOM 1613 C CB . ILE B 1 65 ? -0.990 3.410 -12.965 1.00 37.08 ? 164 ILE B CB 1 ATOM 1614 C CG1 . ILE B 1 65 ? -0.928 2.621 -11.636 1.00 38.97 ? 164 ILE B CG1 1 ATOM 1615 C CG2 . ILE B 1 65 ? -2.376 4.072 -13.314 1.00 37.12 ? 164 ILE B CG2 1 ATOM 1616 C CD1 . ILE B 1 65 ? -1.937 1.517 -11.466 1.00 45.78 ? 164 ILE B CD1 1 ATOM 1617 N N . LYS B 1 66 ? -1.606 2.852 -16.262 1.00 39.03 ? 165 LYS B N 1 ATOM 1618 C CA . LYS B 1 66 ? -1.812 3.385 -17.604 1.00 40.56 ? 165 LYS B CA 1 ATOM 1619 C C . LYS B 1 66 ? -2.738 4.600 -17.646 1.00 42.19 ? 165 LYS B C 1 ATOM 1620 O O . LYS B 1 66 ? -3.846 4.548 -17.103 1.00 42.95 ? 165 LYS B O 1 ATOM 1621 C CB . LYS B 1 66 ? -2.372 2.289 -18.520 1.00 44.59 ? 165 LYS B CB 1 ATOM 1622 C CG . LYS B 1 66 ? -1.321 1.334 -19.065 1.00 51.24 ? 165 LYS B CG 1 ATOM 1623 C CD . LYS B 1 66 ? -1.800 0.799 -20.415 1.00 65.43 ? 165 LYS B CD 1 ATOM 1624 C CE . LYS B 1 66 ? -1.151 -0.534 -20.795 1.00 71.29 ? 165 LYS B CE 1 ATOM 1625 N NZ . LYS B 1 66 ? -1.888 -1.235 -21.910 1.00 72.60 ? 165 LYS B NZ 1 ATOM 1626 N N . LYS B 1 67 ? -2.299 5.675 -18.314 1.00 38.97 ? 166 LYS B N 1 ATOM 1627 C CA . LYS B 1 67 ? -3.179 6.810 -18.674 1.00 39.78 ? 166 LYS B CA 1 ATOM 1628 C C . LYS B 1 67 ? -3.850 7.476 -17.454 1.00 39.04 ? 166 LYS B C 1 ATOM 1629 O O . LYS B 1 67 ? -5.083 7.523 -17.335 1.00 40.09 ? 166 LYS B O 1 ATOM 1630 C CB . LYS B 1 67 ? -4.238 6.403 -19.728 1.00 43.72 ? 166 LYS B CB 1 ATOM 1631 C CG . LYS B 1 67 ? -3.606 6.006 -21.097 1.00 48.73 ? 166 LYS B CG 1 ATOM 1632 C CD . LYS B 1 67 ? -4.623 5.319 -22.049 1.00 53.25 ? 166 LYS B CD 1 ATOM 1633 C CE . LYS B 1 67 ? -3.912 4.491 -23.114 1.00 60.12 ? 166 LYS B CE 1 ATOM 1634 N NZ . LYS B 1 67 ? -2.985 5.337 -23.930 1.00 61.68 ? 166 LYS B NZ 1 ATOM 1635 N N . SER B 1 68 ? -3.044 8.038 -16.576 1.00 38.86 ? 167 SER B N 1 ATOM 1636 C CA . SER B 1 68 ? -3.585 8.653 -15.362 1.00 38.91 ? 167 SER B CA 1 ATOM 1637 C C . SER B 1 68 ? -2.608 9.652 -14.788 1.00 37.23 ? 167 SER B C 1 ATOM 1638 O O . SER B 1 68 ? -1.410 9.369 -14.737 1.00 36.54 ? 167 SER B O 1 ATOM 1639 C CB . SER B 1 68 ? -3.898 7.598 -14.311 1.00 41.18 ? 167 SER B CB 1 ATOM 1640 O OG . SER B 1 68 ? -4.462 8.195 -13.160 1.00 41.89 ? 167 SER B OG 1 ATOM 1641 N N . LEU B 1 69 ? -3.130 10.818 -14.386 1.00 36.91 ? 168 LEU B N 1 ATOM 1642 C CA . LEU B 1 69 ? -2.384 11.797 -13.580 1.00 36.27 ? 168 LEU B CA 1 ATOM 1643 C C . LEU B 1 69 ? -2.727 11.675 -12.086 1.00 34.57 ? 168 LEU B C 1 ATOM 1644 O O . LEU B 1 69 ? -2.260 12.467 -11.259 1.00 35.76 ? 168 LEU B O 1 ATOM 1645 C CB . LEU B 1 69 ? -2.695 13.226 -14.041 1.00 37.24 ? 168 LEU B CB 1 ATOM 1646 C CG . LEU B 1 69 ? -2.368 13.522 -15.524 1.00 39.90 ? 168 LEU B CG 1 ATOM 1647 C CD1 . LEU B 1 69 ? -2.797 14.952 -15.912 1.00 46.83 ? 168 LEU B CD1 1 ATOM 1648 C CD2 . LEU B 1 69 ? -0.918 13.282 -15.829 1.00 41.53 ? 168 LEU B CD2 1 ATOM 1649 N N . ASN B 1 70 ? -3.543 10.682 -11.758 1.00 34.40 ? 169 ASN B N 1 ATOM 1650 C CA . ASN B 1 70 ? -3.880 10.371 -10.365 1.00 36.27 ? 169 ASN B CA 1 ATOM 1651 C C . ASN B 1 70 ? -3.743 8.844 -10.164 1.00 35.81 ? 169 ASN B C 1 ATOM 1652 O O . ASN B 1 70 ? -4.671 8.194 -9.733 1.00 36.73 ? 169 ASN B O 1 ATOM 1653 C CB . ASN B 1 70 ? -5.296 10.891 -10.021 1.00 39.78 ? 169 ASN B CB 1 ATOM 1654 C CG . ASN B 1 70 ? -5.381 12.421 -10.066 1.00 40.06 ? 169 ASN B CG 1 ATOM 1655 O OD1 . ASN B 1 70 ? -4.943 13.111 -9.143 1.00 41.75 ? 169 ASN B OD1 1 ATOM 1656 N ND2 . ASN B 1 70 ? -5.948 12.949 -11.142 1.00 41.76 ? 169 ASN B ND2 1 ATOM 1657 N N . PRO B 1 71 ? -2.537 8.289 -10.425 1.00 35.32 ? 170 PRO B N 1 ATOM 1658 C CA . PRO B 1 71 ? -2.325 6.836 -10.404 1.00 35.82 ? 170 PRO B CA 1 ATOM 1659 C C . PRO B 1 71 ? -2.520 6.278 -8.990 1.00 35.44 ? 170 PRO B C 1 ATOM 1660 O O . PRO B 1 71 ? -2.109 6.918 -8.028 1.00 37.13 ? 170 PRO B O 1 ATOM 1661 C CB . PRO B 1 71 ? -0.842 6.678 -10.845 1.00 34.63 ? 170 PRO B CB 1 ATOM 1662 C CG . PRO B 1 71 ? -0.181 8.016 -10.412 1.00 34.38 ? 170 PRO B CG 1 ATOM 1663 C CD . PRO B 1 71 ? -1.301 9.047 -10.695 1.00 36.00 ? 170 PRO B CD 1 ATOM 1664 N N . LYS B 1 72 ? -3.158 5.111 -8.868 1.00 34.22 ? 171 LYS B N 1 ATOM 1665 C CA . LYS B 1 72 ? -3.376 4.482 -7.564 1.00 36.56 ? 171 LYS B CA 1 ATOM 1666 C C . LYS B 1 72 ? -2.635 3.143 -7.584 1.00 38.76 ? 171 LYS B C 1 ATOM 1667 O O . LYS B 1 72 ? -3.190 2.104 -7.971 1.00 42.30 ? 171 LYS B O 1 ATOM 1668 C CB . LYS B 1 72 ? -4.875 4.333 -7.239 1.00 39.16 ? 171 LYS B CB 1 ATOM 1669 C CG . LYS B 1 72 ? -5.603 5.684 -7.062 1.00 42.78 ? 171 LYS B CG 1 ATOM 1670 C CD . LYS B 1 72 ? -7.059 5.485 -6.624 1.00 49.58 ? 171 LYS B CD 1 ATOM 1671 C CE . LYS B 1 72 ? -7.886 6.760 -6.844 1.00 59.51 ? 171 LYS B CE 1 ATOM 1672 N NZ . LYS B 1 72 ? -7.186 8.005 -6.381 1.00 65.51 ? 171 LYS B NZ 1 ATOM 1673 N N . TRP B 1 73 ? -1.367 3.175 -7.196 1.00 35.06 ? 172 TRP B N 1 ATOM 1674 C CA . TRP B 1 73 ? -0.548 1.972 -7.238 1.00 36.34 ? 172 TRP B CA 1 ATOM 1675 C C . TRP B 1 73 ? -0.907 0.989 -6.161 1.00 38.79 ? 172 TRP B C 1 ATOM 1676 O O . TRP B 1 73 ? -0.923 -0.229 -6.405 1.00 38.98 ? 172 TRP B O 1 ATOM 1677 C CB . TRP B 1 73 ? 0.930 2.307 -7.089 1.00 32.90 ? 172 TRP B CB 1 ATOM 1678 C CG . TRP B 1 73 ? 1.482 3.078 -8.210 1.00 34.60 ? 172 TRP B CG 1 ATOM 1679 C CD1 . TRP B 1 73 ? 1.786 2.612 -9.463 1.00 36.40 ? 172 TRP B CD1 1 ATOM 1680 C CD2 . TRP B 1 73 ? 1.809 4.462 -8.199 1.00 32.36 ? 172 TRP B CD2 1 ATOM 1681 N NE1 . TRP B 1 73 ? 2.285 3.626 -10.230 1.00 38.23 ? 172 TRP B NE1 1 ATOM 1682 C CE2 . TRP B 1 73 ? 2.320 4.777 -9.489 1.00 33.38 ? 172 TRP B CE2 1 ATOM 1683 C CE3 . TRP B 1 73 ? 1.735 5.471 -7.227 1.00 35.23 ? 172 TRP B CE3 1 ATOM 1684 C CZ2 . TRP B 1 73 ? 2.740 6.054 -9.833 1.00 36.70 ? 172 TRP B CZ2 1 ATOM 1685 C CZ3 . TRP B 1 73 ? 2.159 6.751 -7.561 1.00 38.41 ? 172 TRP B CZ3 1 ATOM 1686 C CH2 . TRP B 1 73 ? 2.662 7.036 -8.863 1.00 35.41 ? 172 TRP B CH2 1 ATOM 1687 N N . ASN B 1 74 ? -1.178 1.496 -4.959 1.00 37.26 ? 173 ASN B N 1 ATOM 1688 C CA . ASN B 1 74 ? -1.382 0.620 -3.813 1.00 40.02 ? 173 ASN B CA 1 ATOM 1689 C C . ASN B 1 74 ? -0.438 -0.558 -3.696 1.00 40.06 ? 173 ASN B C 1 ATOM 1690 O O . ASN B 1 74 ? -0.875 -1.689 -3.505 1.00 42.12 ? 173 ASN B O 1 ATOM 1691 C CB . ASN B 1 74 ? -2.797 0.097 -3.774 1.00 45.65 ? 173 ASN B CB 1 ATOM 1692 C CG . ASN B 1 74 ? -3.568 0.785 -2.759 1.00 53.87 ? 173 ASN B CG 1 ATOM 1693 O OD1 . ASN B 1 74 ? -4.238 1.754 -3.074 1.00 58.04 ? 173 ASN B OD1 1 ATOM 1694 N ND2 . ASN B 1 74 ? -3.381 0.393 -1.487 1.00 54.99 ? 173 ASN B ND2 1 ATOM 1695 N N . GLU B 1 75 ? 0.852 -0.271 -3.805 1.00 37.81 ? 174 GLU B N 1 ATOM 1696 C CA . GLU B 1 75 ? 1.868 -1.304 -3.912 1.00 39.07 ? 174 GLU B CA 1 ATOM 1697 C C . GLU B 1 75 ? 2.799 -1.257 -2.716 1.00 37.98 ? 174 GLU B C 1 ATOM 1698 O O . GLU B 1 75 ? 3.319 -0.177 -2.385 1.00 41.39 ? 174 GLU B O 1 ATOM 1699 C CB . GLU B 1 75 ? 2.672 -1.120 -5.202 1.00 38.22 ? 174 GLU B CB 1 ATOM 1700 C CG . GLU B 1 75 ? 3.637 -2.309 -5.440 1.00 43.09 ? 174 GLU B CG 1 ATOM 1701 C CD . GLU B 1 75 ? 4.273 -2.333 -6.820 1.00 43.21 ? 174 GLU B CD 1 ATOM 1702 O OE1 . GLU B 1 75 ? 3.668 -1.779 -7.790 1.00 41.63 ? 174 GLU B OE1 1 ATOM 1703 O OE2 . GLU B 1 75 ? 5.376 -2.939 -6.910 1.00 44.87 ? 174 GLU B OE2 1 ATOM 1704 N N . GLU B 1 76 ? 3.025 -2.414 -2.089 1.00 38.25 ? 175 GLU B N 1 ATOM 1705 C CA . GLU B 1 76 ? 3.962 -2.521 -0.977 1.00 39.06 ? 175 GLU B CA 1 ATOM 1706 C C . GLU B 1 76 ? 5.298 -3.041 -1.435 1.00 40.03 ? 175 GLU B C 1 ATOM 1707 O O . GLU B 1 76 ? 5.377 -4.012 -2.214 1.00 40.72 ? 175 GLU B O 1 ATOM 1708 C CB . GLU B 1 76 ? 3.448 -3.487 0.093 1.00 42.71 ? 175 GLU B CB 1 ATOM 1709 C CG . GLU B 1 76 ? 2.922 -2.841 1.309 1.00 51.74 ? 175 GLU B CG 1 ATOM 1710 C CD . GLU B 1 76 ? 2.127 -3.806 2.173 1.00 54.11 ? 175 GLU B CD 1 ATOM 1711 O OE1 . GLU B 1 76 ? 2.658 -4.887 2.531 1.00 53.05 ? 175 GLU B OE1 1 ATOM 1712 O OE2 . GLU B 1 76 ? 0.974 -3.471 2.507 1.00 60.49 ? 175 GLU B OE2 1 ATOM 1713 N N . ILE B 1 77 ? 6.356 -2.426 -0.914 1.00 37.51 ? 176 ILE B N 1 ATOM 1714 C CA . ILE B 1 77 ? 7.727 -2.918 -1.106 1.00 38.62 ? 176 ILE B CA 1 ATOM 1715 C C . ILE B 1 77 ? 8.373 -2.990 0.267 1.00 38.38 ? 176 ILE B C 1 ATOM 1716 O O . ILE B 1 77 ? 8.212 -2.080 1.058 1.00 39.86 ? 176 ILE B O 1 ATOM 1717 C CB . ILE B 1 77 ? 8.572 -1.940 -1.948 1.00 35.39 ? 176 ILE B CB 1 ATOM 1718 C CG1 . ILE B 1 77 ? 7.872 -1.617 -3.272 1.00 38.66 ? 176 ILE B CG1 1 ATOM 1719 C CG2 . ILE B 1 77 ? 9.985 -2.555 -2.186 1.00 37.12 ? 176 ILE B CG2 1 ATOM 1720 C CD1 . ILE B 1 77 ? 8.522 -0.455 -4.052 1.00 39.16 ? 176 ILE B CD1 1 ATOM 1721 N N . LEU B 1 78 ? 9.070 -4.080 0.550 1.00 35.28 ? 177 LEU B N 1 ATOM 1722 C CA . LEU B 1 78 ? 9.773 -4.270 1.813 1.00 35.71 ? 177 LEU B CA 1 ATOM 1723 C C . LEU B 1 78 ? 11.263 -4.072 1.634 1.00 35.04 ? 177 LEU B C 1 ATOM 1724 O O . LEU B 1 78 ? 11.867 -4.636 0.721 1.00 34.73 ? 177 LEU B O 1 ATOM 1725 C CB . LEU B 1 78 ? 9.557 -5.659 2.373 1.00 37.14 ? 177 LEU B CB 1 ATOM 1726 C CG . LEU B 1 78 ? 8.338 -5.966 3.271 1.00 38.91 ? 177 LEU B CG 1 ATOM 1727 C CD1 . LEU B 1 78 ? 7.068 -5.285 2.828 1.00 46.60 ? 177 LEU B CD1 1 ATOM 1728 C CD2 . LEU B 1 78 ? 8.167 -7.461 3.428 1.00 41.25 ? 177 LEU B CD2 1 ATOM 1729 N N . PHE B 1 79 ? 11.853 -3.273 2.511 1.00 34.22 ? 178 PHE B N 1 ATOM 1730 C CA . PHE B 1 79 ? 13.302 -3.088 2.469 1.00 34.49 ? 178 PHE B CA 1 ATOM 1731 C C . PHE B 1 79 ? 13.898 -3.419 3.838 1.00 35.06 ? 178 PHE B C 1 ATOM 1732 O O . PHE B 1 79 ? 13.362 -3.001 4.879 1.00 35.35 ? 178 PHE B O 1 ATOM 1733 C CB . PHE B 1 79 ? 13.673 -1.617 2.203 1.00 31.61 ? 178 PHE B CB 1 ATOM 1734 C CG . PHE B 1 79 ? 13.323 -1.106 0.829 1.00 32.34 ? 178 PHE B CG 1 ATOM 1735 C CD1 . PHE B 1 79 ? 12.124 -0.472 0.613 1.00 35.12 ? 178 PHE B CD1 1 ATOM 1736 C CD2 . PHE B 1 79 ? 14.236 -1.199 -0.210 1.00 33.56 ? 178 PHE B CD2 1 ATOM 1737 C CE1 . PHE B 1 79 ? 11.793 0.041 -0.674 1.00 34.70 ? 178 PHE B CE1 1 ATOM 1738 C CE2 . PHE B 1 79 ? 13.930 -0.699 -1.486 1.00 36.38 ? 178 PHE B CE2 1 ATOM 1739 C CZ . PHE B 1 79 ? 12.719 -0.075 -1.710 1.00 33.13 ? 178 PHE B CZ 1 ATOM 1740 N N . ARG B 1 80 ? 15.032 -4.115 3.837 1.00 36.53 ? 179 ARG B N 1 ATOM 1741 C CA . ARG B 1 80 ? 15.778 -4.289 5.076 1.00 35.14 ? 179 ARG B CA 1 ATOM 1742 C C . ARG B 1 80 ? 16.780 -3.143 5.134 1.00 35.46 ? 179 ARG B C 1 ATOM 1743 O O . ARG B 1 80 ? 17.566 -2.927 4.166 1.00 35.08 ? 179 ARG B O 1 ATOM 1744 C CB . ARG B 1 80 ? 16.463 -5.645 5.139 1.00 35.10 ? 179 ARG B CB 1 ATOM 1745 C CG . ARG B 1 80 ? 17.228 -5.870 6.430 1.00 38.26 ? 179 ARG B CG 1 ATOM 1746 C CD . ARG B 1 80 ? 17.954 -7.193 6.421 1.00 40.61 ? 179 ARG B CD 1 ATOM 1747 N NE . ARG B 1 80 ? 17.039 -8.331 6.507 1.00 45.06 ? 179 ARG B NE 1 ATOM 1748 C CZ . ARG B 1 80 ? 16.782 -9.157 5.496 1.00 45.57 ? 179 ARG B CZ 1 ATOM 1749 N NH1 . ARG B 1 80 ? 17.333 -8.950 4.298 1.00 47.44 ? 179 ARG B NH1 1 ATOM 1750 N NH2 . ARG B 1 80 ? 15.952 -10.171 5.671 1.00 45.59 ? 179 ARG B NH2 1 ATOM 1751 N N . VAL B 1 81 ? 16.753 -2.406 6.250 1.00 34.59 ? 180 VAL B N 1 ATOM 1752 C CA . VAL B 1 81 ? 17.457 -1.111 6.347 1.00 33.56 ? 180 VAL B CA 1 ATOM 1753 C C . VAL B 1 81 ? 18.111 -0.888 7.711 1.00 36.50 ? 180 VAL B C 1 ATOM 1754 O O . VAL B 1 81 ? 17.775 -1.573 8.669 1.00 36.39 ? 180 VAL B O 1 ATOM 1755 C CB . VAL B 1 81 ? 16.496 0.067 6.104 1.00 33.90 ? 180 VAL B CB 1 ATOM 1756 C CG1 . VAL B 1 81 ? 15.698 -0.122 4.805 1.00 34.20 ? 180 VAL B CG1 1 ATOM 1757 C CG2 . VAL B 1 81 ? 15.540 0.234 7.303 1.00 33.83 ? 180 VAL B CG2 1 ATOM 1758 N N . HIS B 1 82 ? 19.038 0.080 7.772 1.00 35.83 ? 181 HIS B N 1 ATOM 1759 C CA . HIS B 1 82 ? 19.518 0.686 9.030 1.00 39.97 ? 181 HIS B CA 1 ATOM 1760 C C . HIS B 1 82 ? 18.691 1.959 9.265 1.00 36.04 ? 181 HIS B C 1 ATOM 1761 O O . HIS B 1 82 ? 18.938 2.968 8.596 1.00 38.37 ? 181 HIS B O 1 ATOM 1762 C CB . HIS B 1 82 ? 21.015 1.007 8.916 1.00 41.45 ? 181 HIS B CB 1 ATOM 1763 C CG . HIS B 1 82 ? 21.882 -0.211 8.967 1.00 46.48 ? 181 HIS B CG 1 ATOM 1764 N ND1 . HIS B 1 82 ? 21.769 -1.154 9.965 1.00 49.75 ? 181 HIS B ND1 1 ATOM 1765 C CD2 . HIS B 1 82 ? 22.890 -0.629 8.166 1.00 50.16 ? 181 HIS B CD2 1 ATOM 1766 C CE1 . HIS B 1 82 ? 22.652 -2.116 9.761 1.00 54.87 ? 181 HIS B CE1 1 ATOM 1767 N NE2 . HIS B 1 82 ? 23.341 -1.825 8.672 1.00 49.42 ? 181 HIS B NE2 1 ATOM 1768 N N . PRO B 1 83 ? 17.664 1.896 10.163 1.00 36.87 ? 182 PRO B N 1 ATOM 1769 C CA . PRO B 1 83 ? 16.667 2.994 10.222 1.00 37.49 ? 182 PRO B CA 1 ATOM 1770 C C . PRO B 1 83 ? 17.265 4.396 10.383 1.00 37.82 ? 182 PRO B C 1 ATOM 1771 O O . PRO B 1 83 ? 16.754 5.338 9.775 1.00 37.33 ? 182 PRO B O 1 ATOM 1772 C CB . PRO B 1 83 ? 15.819 2.643 11.455 1.00 39.99 ? 182 PRO B CB 1 ATOM 1773 C CG . PRO B 1 83 ? 15.951 1.095 11.549 1.00 40.71 ? 182 PRO B CG 1 ATOM 1774 C CD . PRO B 1 83 ? 17.391 0.845 11.180 1.00 40.32 ? 182 PRO B CD 1 ATOM 1775 N N . GLN B 1 84 ? 18.325 4.535 11.180 1.00 38.72 ? 183 GLN B N 1 ATOM 1776 C CA . GLN B 1 84 ? 18.879 5.871 11.438 1.00 44.20 ? 183 GLN B CA 1 ATOM 1777 C C . GLN B 1 84 ? 19.936 6.329 10.458 1.00 43.60 ? 183 GLN B C 1 ATOM 1778 O O . GLN B 1 84 ? 20.353 7.485 10.531 1.00 47.66 ? 183 GLN B O 1 ATOM 1779 C CB . GLN B 1 84 ? 19.459 5.988 12.845 1.00 47.18 ? 183 GLN B CB 1 ATOM 1780 C CG . GLN B 1 84 ? 18.436 5.950 13.929 1.00 52.58 ? 183 GLN B CG 1 ATOM 1781 C CD . GLN B 1 84 ? 18.363 4.603 14.565 1.00 59.16 ? 183 GLN B CD 1 ATOM 1782 O OE1 . GLN B 1 84 ? 18.682 3.572 13.941 1.00 60.51 ? 183 GLN B OE1 1 ATOM 1783 N NE2 . GLN B 1 84 ? 17.947 4.582 15.815 1.00 60.56 ? 183 GLN B NE2 1 ATOM 1784 N N . GLN B 1 85 ? 20.371 5.447 9.556 1.00 43.24 ? 184 GLN B N 1 ATOM 1785 C CA . GLN B 1 85 ? 21.386 5.839 8.558 1.00 44.33 ? 184 GLN B CA 1 ATOM 1786 C C . GLN B 1 85 ? 20.813 5.954 7.150 1.00 40.51 ? 184 GLN B C 1 ATOM 1787 O O . GLN B 1 85 ? 21.117 6.896 6.416 1.00 40.45 ? 184 GLN B O 1 ATOM 1788 C CB . GLN B 1 85 ? 22.580 4.874 8.538 1.00 46.82 ? 184 GLN B CB 1 ATOM 1789 C CG . GLN B 1 85 ? 23.232 4.560 9.910 1.00 57.14 ? 184 GLN B CG 1 ATOM 1790 C CD . GLN B 1 85 ? 23.936 5.752 10.538 1.00 64.45 ? 184 GLN B CD 1 ATOM 1791 O OE1 . GLN B 1 85 ? 23.598 6.910 10.268 1.00 69.25 ? 184 GLN B OE1 1 ATOM 1792 N NE2 . GLN B 1 85 ? 24.921 5.471 11.401 1.00 68.37 ? 184 GLN B NE2 1 ATOM 1793 N N . HIS B 1 86 ? 19.980 5.005 6.765 1.00 38.44 ? 185 HIS B N 1 ATOM 1794 C CA . HIS B 1 86 ? 19.516 4.935 5.390 1.00 34.92 ? 185 HIS B CA 1 ATOM 1795 C C . HIS B 1 86 ? 18.377 5.906 5.141 1.00 34.07 ? 185 HIS B C 1 ATOM 1796 O O . HIS B 1 86 ? 17.707 6.354 6.070 1.00 33.92 ? 185 HIS B O 1 ATOM 1797 C CB . HIS B 1 86 ? 19.044 3.503 5.035 1.00 35.10 ? 185 HIS B CB 1 ATOM 1798 C CG . HIS B 1 86 ? 20.157 2.506 4.923 1.00 39.12 ? 185 HIS B CG 1 ATOM 1799 N ND1 . HIS B 1 86 ? 20.032 1.214 5.371 1.00 37.34 ? 185 HIS B ND1 1 ATOM 1800 C CD2 . HIS B 1 86 ? 21.411 2.607 4.427 1.00 48.61 ? 185 HIS B CD2 1 ATOM 1801 C CE1 . HIS B 1 86 ? 21.151 0.556 5.150 1.00 40.45 ? 185 HIS B CE1 1 ATOM 1802 N NE2 . HIS B 1 86 ? 22.007 1.378 4.580 1.00 42.95 ? 185 HIS B NE2 1 ATOM 1803 N N . ARG B 1 87 ? 18.180 6.230 3.871 1.00 29.76 ? 186 ARG B N 1 ATOM 1804 C CA . ARG B 1 87 ? 17.083 7.093 3.429 1.00 30.84 ? 186 ARG B CA 1 ATOM 1805 C C . ARG B 1 87 ? 16.451 6.492 2.168 1.00 31.05 ? 186 ARG B C 1 ATOM 1806 O O . ARG B 1 87 ? 17.054 5.613 1.519 1.00 30.69 ? 186 ARG B O 1 ATOM 1807 C CB . ARG B 1 87 ? 17.641 8.486 3.088 1.00 30.12 ? 186 ARG B CB 1 ATOM 1808 C CG . ARG B 1 87 ? 18.199 9.296 4.316 1.00 30.36 ? 186 ARG B CG 1 ATOM 1809 C CD . ARG B 1 87 ? 18.627 10.704 3.923 1.00 31.38 ? 186 ARG B CD 1 ATOM 1810 N NE . ARG B 1 87 ? 17.481 11.531 3.474 1.00 31.37 ? 186 ARG B NE 1 ATOM 1811 C CZ . ARG B 1 87 ? 16.701 12.231 4.294 1.00 33.27 ? 186 ARG B CZ 1 ATOM 1812 N NH1 . ARG B 1 87 ? 16.963 12.285 5.611 1.00 33.46 ? 186 ARG B NH1 1 ATOM 1813 N NH2 . ARG B 1 87 ? 15.675 12.923 3.820 1.00 32.22 ? 186 ARG B NH2 1 ATOM 1814 N N . LEU B 1 88 ? 15.265 6.978 1.808 1.00 31.03 ? 187 LEU B N 1 ATOM 1815 C CA . LEU B 1 88 ? 14.613 6.577 0.554 1.00 30.32 ? 187 LEU B CA 1 ATOM 1816 C C . LEU B 1 88 ? 14.401 7.780 -0.352 1.00 32.14 ? 187 LEU B C 1 ATOM 1817 O O . LEU B 1 88 ? 13.964 8.848 0.112 1.00 33.00 ? 187 LEU B O 1 ATOM 1818 C CB . LEU B 1 88 ? 13.252 5.932 0.853 1.00 33.15 ? 187 LEU B CB 1 ATOM 1819 C CG . LEU B 1 88 ? 13.229 4.551 1.535 1.00 33.41 ? 187 LEU B CG 1 ATOM 1820 C CD1 . LEU B 1 88 ? 11.773 4.190 1.745 1.00 36.04 ? 187 LEU B CD1 1 ATOM 1821 C CD2 . LEU B 1 88 ? 13.932 3.523 0.624 1.00 33.37 ? 187 LEU B CD2 1 ATOM 1822 N N . LEU B 1 89 ? 14.718 7.604 -1.639 1.00 30.35 ? 188 LEU B N 1 ATOM 1823 C CA . LEU B 1 89 ? 14.424 8.595 -2.664 1.00 30.71 ? 188 LEU B CA 1 ATOM 1824 C C . LEU B 1 89 ? 13.368 7.939 -3.546 1.00 33.81 ? 188 LEU B C 1 ATOM 1825 O O . LEU B 1 89 ? 13.565 6.811 -4.039 1.00 33.99 ? 188 LEU B O 1 ATOM 1826 C CB . LEU B 1 89 ? 15.694 8.931 -3.498 1.00 33.72 ? 188 LEU B CB 1 ATOM 1827 C CG . LEU B 1 89 ? 15.509 9.807 -4.729 1.00 31.39 ? 188 LEU B CG 1 ATOM 1828 C CD1 . LEU B 1 89 ? 15.118 11.213 -4.362 1.00 31.36 ? 188 LEU B CD1 1 ATOM 1829 C CD2 . LEU B 1 89 ? 16.807 9.829 -5.528 1.00 38.27 ? 188 LEU B CD2 1 ATOM 1830 N N . PHE B 1 90 ? 12.225 8.602 -3.683 1.00 29.63 ? 189 PHE B N 1 ATOM 1831 C CA . PHE B 1 90 ? 11.169 8.169 -4.595 1.00 30.24 ? 189 PHE B CA 1 ATOM 1832 C C . PHE B 1 90 ? 11.234 9.074 -5.805 1.00 29.77 ? 189 PHE B C 1 ATOM 1833 O O . PHE B 1 90 ? 11.212 10.300 -5.647 1.00 31.38 ? 189 PHE B O 1 ATOM 1834 C CB . PHE B 1 90 ? 9.814 8.380 -3.941 1.00 28.09 ? 189 PHE B CB 1 ATOM 1835 C CG . PHE B 1 90 ? 9.610 7.554 -2.703 1.00 29.47 ? 189 PHE B CG 1 ATOM 1836 C CD1 . PHE B 1 90 ? 10.103 7.983 -1.491 1.00 28.21 ? 189 PHE B CD1 1 ATOM 1837 C CD2 . PHE B 1 90 ? 8.920 6.344 -2.769 1.00 29.92 ? 189 PHE B CD2 1 ATOM 1838 C CE1 . PHE B 1 90 ? 9.908 7.198 -0.289 1.00 31.32 ? 189 PHE B CE1 1 ATOM 1839 C CE2 . PHE B 1 90 ? 8.745 5.553 -1.634 1.00 29.97 ? 189 PHE B CE2 1 ATOM 1840 C CZ . PHE B 1 90 ? 9.237 5.975 -0.378 1.00 32.17 ? 189 PHE B CZ 1 ATOM 1841 N N . GLU B 1 91 ? 11.287 8.502 -7.008 1.00 28.14 ? 190 GLU B N 1 ATOM 1842 C CA . GLU B 1 91 ? 11.261 9.328 -8.230 1.00 28.82 ? 190 GLU B CA 1 ATOM 1843 C C . GLU B 1 91 ? 10.116 8.838 -9.112 1.00 32.08 ? 190 GLU B C 1 ATOM 1844 O O . GLU B 1 91 ? 10.063 7.647 -9.429 1.00 31.68 ? 190 GLU B O 1 ATOM 1845 C CB . GLU B 1 91 ? 12.563 9.178 -9.012 1.00 31.48 ? 190 GLU B CB 1 ATOM 1846 C CG . GLU B 1 91 ? 13.796 9.788 -8.345 1.00 33.92 ? 190 GLU B CG 1 ATOM 1847 C CD . GLU B 1 91 ? 15.083 9.385 -9.073 1.00 39.17 ? 190 GLU B CD 1 ATOM 1848 O OE1 . GLU B 1 91 ? 15.807 10.294 -9.572 1.00 41.40 ? 190 GLU B OE1 1 ATOM 1849 O OE2 . GLU B 1 91 ? 15.367 8.158 -9.155 1.00 39.94 ? 190 GLU B OE2 1 ATOM 1850 N N . VAL B 1 92 ? 9.196 9.738 -9.463 1.00 30.00 ? 191 VAL B N 1 ATOM 1851 C CA . VAL B 1 92 ? 8.028 9.347 -10.242 1.00 29.49 ? 191 VAL B CA 1 ATOM 1852 C C . VAL B 1 92 ? 8.348 9.595 -11.699 1.00 31.95 ? 191 VAL B C 1 ATOM 1853 O O . VAL B 1 92 ? 8.863 10.658 -12.031 1.00 30.72 ? 191 VAL B O 1 ATOM 1854 C CB . VAL B 1 92 ? 6.770 10.134 -9.829 1.00 31.88 ? 191 VAL B CB 1 ATOM 1855 C CG1 . VAL B 1 92 ? 5.565 9.638 -10.629 1.00 30.70 ? 191 VAL B CG1 1 ATOM 1856 C CG2 . VAL B 1 92 ? 6.512 9.967 -8.342 1.00 30.86 ? 191 VAL B CG2 1 ATOM 1857 N N . PHE B 1 93 ? 8.068 8.613 -12.565 1.00 30.89 ? 192 PHE B N 1 ATOM 1858 C CA . PHE B 1 93 ? 8.402 8.773 -13.993 1.00 30.65 ? 192 PHE B CA 1 ATOM 1859 C C . PHE B 1 93 ? 7.184 8.408 -14.865 1.00 32.73 ? 192 PHE B C 1 ATOM 1860 O O . PHE B 1 93 ? 6.295 7.657 -14.441 1.00 33.10 ? 192 PHE B O 1 ATOM 1861 C CB . PHE B 1 93 ? 9.529 7.819 -14.369 1.00 32.94 ? 192 PHE B CB 1 ATOM 1862 C CG . PHE B 1 93 ? 10.867 8.158 -13.783 1.00 34.16 ? 192 PHE B CG 1 ATOM 1863 C CD1 . PHE B 1 93 ? 11.355 7.450 -12.687 1.00 32.55 ? 192 PHE B CD1 1 ATOM 1864 C CD2 . PHE B 1 93 ? 11.654 9.145 -14.344 1.00 32.16 ? 192 PHE B CD2 1 ATOM 1865 C CE1 . PHE B 1 93 ? 12.600 7.733 -12.146 1.00 33.57 ? 192 PHE B CE1 1 ATOM 1866 C CE2 . PHE B 1 93 ? 12.900 9.437 -13.800 1.00 33.34 ? 192 PHE B CE2 1 ATOM 1867 C CZ . PHE B 1 93 ? 13.365 8.726 -12.692 1.00 34.07 ? 192 PHE B CZ 1 ATOM 1868 N N . ASP B 1 94 ? 7.158 8.942 -16.082 1.00 32.71 ? 193 ASP B N 1 ATOM 1869 C CA . ASP B 1 94 ? 6.093 8.676 -17.026 1.00 32.83 ? 193 ASP B CA 1 ATOM 1870 C C . ASP B 1 94 ? 6.648 7.667 -18.028 1.00 34.05 ? 193 ASP B C 1 ATOM 1871 O O . ASP B 1 94 ? 7.511 8.011 -18.828 1.00 34.94 ? 193 ASP B O 1 ATOM 1872 C CB . ASP B 1 94 ? 5.763 9.982 -17.762 1.00 34.08 ? 193 ASP B CB 1 ATOM 1873 C CG . ASP B 1 94 ? 4.591 9.835 -18.708 1.00 36.66 ? 193 ASP B CG 1 ATOM 1874 O OD1 . ASP B 1 94 ? 4.225 8.693 -19.075 1.00 35.29 ? 193 ASP B OD1 1 ATOM 1875 O OD2 . ASP B 1 94 ? 4.058 10.869 -19.132 1.00 41.14 ? 193 ASP B OD2 1 ATOM 1876 N N . GLU B 1 95 ? 6.137 6.434 -18.008 1.00 32.97 ? 194 GLU B N 1 ATOM 1877 C CA . GLU B 1 95 ? 6.659 5.384 -18.904 1.00 32.42 ? 194 GLU B CA 1 ATOM 1878 C C . GLU B 1 95 ? 6.376 5.701 -20.350 1.00 35.75 ? 194 GLU B C 1 ATOM 1879 O O . GLU B 1 95 ? 7.097 5.244 -21.253 1.00 38.11 ? 194 GLU B O 1 ATOM 1880 C CB . GLU B 1 95 ? 6.071 4.027 -18.512 1.00 33.17 ? 194 GLU B CB 1 ATOM 1881 C CG . GLU B 1 95 ? 6.683 2.799 -19.221 1.00 35.66 ? 194 GLU B CG 1 ATOM 1882 C CD . GLU B 1 95 ? 5.922 1.527 -18.890 1.00 40.07 ? 194 GLU B CD 1 ATOM 1883 O OE1 . GLU B 1 95 ? 4.896 1.260 -19.552 1.00 43.87 ? 194 GLU B OE1 1 ATOM 1884 O OE2 . GLU B 1 95 ? 6.349 0.792 -17.959 1.00 45.70 ? 194 GLU B OE2 1 ATOM 1885 N N . ASN B 1 96 ? 5.317 6.474 -20.589 1.00 35.66 ? 195 ASN B N 1 ATOM 1886 C CA . ASN B 1 96 ? 4.989 6.862 -21.952 1.00 38.21 ? 195 ASN B CA 1 ATOM 1887 C C . ASN B 1 96 ? 6.112 7.723 -22.580 1.00 37.98 ? 195 ASN B C 1 ATOM 1888 O O . ASN B 1 96 ? 6.194 7.844 -23.801 1.00 40.18 ? 195 ASN B O 1 ATOM 1889 C CB . ASN B 1 96 ? 3.608 7.549 -21.975 1.00 39.69 ? 195 ASN B CB 1 ATOM 1890 C CG . ASN B 1 96 ? 3.181 7.986 -23.352 1.00 41.26 ? 195 ASN B CG 1 ATOM 1891 O OD1 . ASN B 1 96 ? 2.934 9.177 -23.572 1.00 47.49 ? 195 ASN B OD1 1 ATOM 1892 N ND2 . ASN B 1 96 ? 3.066 7.040 -24.286 1.00 36.08 ? 195 ASN B ND2 1 ATOM 1893 N N . ARG B 1 97 ? 7.014 8.249 -21.745 1.00 38.21 ? 196 ARG B N 1 ATOM 1894 C CA . ARG B 1 97 ? 8.031 9.213 -22.180 1.00 37.60 ? 196 ARG B CA 1 ATOM 1895 C C . ARG B 1 97 ? 9.476 8.724 -21.981 1.00 38.46 ? 196 ARG B C 1 ATOM 1896 O O . ARG B 1 97 ? 10.405 9.517 -21.953 1.00 38.38 ? 196 ARG B O 1 ATOM 1897 C CB . ARG B 1 97 ? 7.858 10.564 -21.465 1.00 39.21 ? 196 ARG B CB 1 ATOM 1898 C CG . ARG B 1 97 ? 6.415 11.076 -21.416 1.00 43.35 ? 196 ARG B CG 1 ATOM 1899 C CD . ARG B 1 97 ? 6.356 12.480 -20.826 1.00 41.79 ? 196 ARG B CD 1 ATOM 1900 N NE . ARG B 1 97 ? 6.866 13.432 -21.813 1.00 46.79 ? 196 ARG B NE 1 ATOM 1901 C CZ . ARG B 1 97 ? 6.185 13.822 -22.889 1.00 57.26 ? 196 ARG B CZ 1 ATOM 1902 N NH1 . ARG B 1 97 ? 4.948 13.367 -23.099 1.00 55.99 ? 196 ARG B NH1 1 ATOM 1903 N NH2 . ARG B 1 97 ? 6.729 14.672 -23.745 1.00 55.20 ? 196 ARG B NH2 1 ATOM 1904 N N . LEU B 1 98 ? 9.656 7.417 -21.861 1.00 36.87 ? 197 LEU B N 1 ATOM 1905 C CA . LEU B 1 98 ? 10.953 6.811 -21.791 1.00 41.03 ? 197 LEU B CA 1 ATOM 1906 C C . LEU B 1 98 ? 11.820 7.308 -22.954 1.00 38.76 ? 197 LEU B C 1 ATOM 1907 O O . LEU B 1 98 ? 11.397 7.294 -24.114 1.00 41.11 ? 197 LEU B O 1 ATOM 1908 C CB . LEU B 1 98 ? 10.773 5.292 -21.882 1.00 42.21 ? 197 LEU B CB 1 ATOM 1909 C CG . LEU B 1 98 ? 11.516 4.237 -21.060 1.00 50.79 ? 197 LEU B CG 1 ATOM 1910 C CD1 . LEU B 1 98 ? 11.711 4.582 -19.583 1.00 48.41 ? 197 LEU B CD1 1 ATOM 1911 C CD2 . LEU B 1 98 ? 10.720 2.923 -21.220 1.00 46.41 ? 197 LEU B CD2 1 ATOM 1912 N N . THR B 1 99 ? 13.035 7.731 -22.611 1.00 38.66 ? 198 THR B N 1 ATOM 1913 C CA . THR B 1 99 ? 14.044 8.318 -23.502 1.00 40.97 ? 198 THR B CA 1 ATOM 1914 C C . THR B 1 99 ? 13.786 9.807 -23.790 1.00 42.32 ? 198 THR B C 1 ATOM 1915 O O . THR B 1 99 ? 14.599 10.469 -24.465 1.00 42.55 ? 198 THR B O 1 ATOM 1916 C CB . THR B 1 99 ? 14.293 7.531 -24.842 1.00 42.78 ? 198 THR B CB 1 ATOM 1917 O OG1 . THR B 1 99 ? 13.235 7.806 -25.772 1.00 41.74 ? 198 THR B OG1 1 ATOM 1918 C CG2 . THR B 1 99 ? 14.445 6.030 -24.603 1.00 44.11 ? 198 THR B CG2 1 ATOM 1919 N N A ARG B 1 100 ? 12.664 10.321 -23.291 0.50 38.59 ? 199 ARG B N 1 ATOM 1920 N N B ARG B 1 100 ? 12.678 10.330 -23.267 0.50 38.68 ? 199 ARG B N 1 ATOM 1921 C CA A ARG B 1 100 ? 12.322 11.727 -23.448 0.50 40.73 ? 199 ARG B CA 1 ATOM 1922 C CA B ARG B 1 100 ? 12.332 11.736 -23.440 0.50 40.90 ? 199 ARG B CA 1 ATOM 1923 C C A ARG B 1 100 ? 12.216 12.368 -22.049 0.50 40.08 ? 199 ARG B C 1 ATOM 1924 C C B ARG B 1 100 ? 12.315 12.449 -22.071 0.50 40.38 ? 199 ARG B C 1 ATOM 1925 O O A ARG B 1 100 ? 12.841 11.891 -21.088 0.50 38.84 ? 199 ARG B O 1 ATOM 1926 O O B ARG B 1 100 ? 13.083 12.108 -21.157 0.50 38.69 ? 199 ARG B O 1 ATOM 1927 C CB A ARG B 1 100 ? 11.024 11.873 -24.254 0.50 41.32 ? 199 ARG B CB 1 ATOM 1928 C CB B ARG B 1 100 ? 10.973 11.871 -24.141 0.50 41.19 ? 199 ARG B CB 1 ATOM 1929 C CG A ARG B 1 100 ? 11.035 11.192 -25.662 0.50 43.14 ? 199 ARG B CG 1 ATOM 1930 C CG B ARG B 1 100 ? 10.741 10.942 -25.368 0.50 44.03 ? 199 ARG B CG 1 ATOM 1931 C CD A ARG B 1 100 ? 11.073 12.223 -26.795 0.50 51.52 ? 199 ARG B CD 1 ATOM 1932 C CD B ARG B 1 100 ? 11.040 11.644 -26.673 0.50 49.01 ? 199 ARG B CD 1 ATOM 1933 N NE A ARG B 1 100 ? 9.833 12.998 -26.903 0.50 55.88 ? 199 ARG B NE 1 ATOM 1934 N NE B ARG B 1 100 ? 12.188 11.079 -27.378 0.50 53.69 ? 199 ARG B NE 1 ATOM 1935 C CZ A ARG B 1 100 ? 9.622 13.961 -27.798 0.50 59.43 ? 199 ARG B CZ 1 ATOM 1936 C CZ B ARG B 1 100 ? 12.900 11.718 -28.306 0.50 53.26 ? 199 ARG B CZ 1 ATOM 1937 N NH1 A ARG B 1 100 ? 10.561 14.279 -28.682 0.50 58.67 ? 199 ARG B NH1 1 ATOM 1938 N NH1 B ARG B 1 100 ? 12.612 12.970 -28.644 0.50 52.78 ? 199 ARG B NH1 1 ATOM 1939 N NH2 A ARG B 1 100 ? 8.466 14.607 -27.820 0.50 63.70 ? 199 ARG B NH2 1 ATOM 1940 N NH2 B ARG B 1 100 ? 13.921 11.106 -28.888 0.50 56.58 ? 199 ARG B NH2 1 ATOM 1941 N N . ASP B 1 101 ? 11.462 13.454 -21.932 1.00 40.12 ? 200 ASP B N 1 ATOM 1942 C CA . ASP B 1 101 ? 11.332 14.155 -20.640 1.00 42.11 ? 200 ASP B CA 1 ATOM 1943 C C . ASP B 1 101 ? 10.332 13.423 -19.744 1.00 40.74 ? 200 ASP B C 1 ATOM 1944 O O . ASP B 1 101 ? 9.125 13.696 -19.771 1.00 41.37 ? 200 ASP B O 1 ATOM 1945 C CB . ASP B 1 101 ? 10.930 15.622 -20.844 1.00 45.73 ? 200 ASP B CB 1 ATOM 1946 C CG . ASP B 1 101 ? 9.627 15.769 -21.614 1.00 49.75 ? 200 ASP B CG 1 ATOM 1947 O OD1 . ASP B 1 101 ? 9.431 15.026 -22.613 1.00 51.83 ? 200 ASP B OD1 1 ATOM 1948 O OD2 . ASP B 1 101 ? 8.791 16.613 -21.208 1.00 53.95 ? 200 ASP B OD2 1 ATOM 1949 N N . ASP B 1 102 ? 10.820 12.461 -18.973 1.00 37.71 ? 201 ASP B N 1 ATOM 1950 C CA . ASP B 1 102 ? 9.892 11.564 -18.311 1.00 33.81 ? 201 ASP B CA 1 ATOM 1951 C C . ASP B 1 102 ? 9.720 11.822 -16.823 1.00 34.88 ? 201 ASP B C 1 ATOM 1952 O O . ASP B 1 102 ? 8.955 11.117 -16.161 1.00 33.87 ? 201 ASP B O 1 ATOM 1953 C CB . ASP B 1 102 ? 10.263 10.090 -18.567 1.00 34.95 ? 201 ASP B CB 1 ATOM 1954 C CG . ASP B 1 102 ? 11.653 9.705 -18.038 1.00 37.85 ? 201 ASP B CG 1 ATOM 1955 O OD1 . ASP B 1 102 ? 12.445 10.601 -17.653 1.00 37.48 ? 201 ASP B OD1 1 ATOM 1956 O OD2 . ASP B 1 102 ? 11.953 8.475 -18.007 1.00 37.48 ? 201 ASP B OD2 1 ATOM 1957 N N . PHE B 1 103 ? 10.381 12.840 -16.293 1.00 33.40 ? 202 PHE B N 1 ATOM 1958 C CA . PHE B 1 103 ? 10.407 12.967 -14.832 1.00 33.95 ? 202 PHE B CA 1 ATOM 1959 C C . PHE B 1 103 ? 9.192 13.697 -14.312 1.00 34.80 ? 202 PHE B C 1 ATOM 1960 O O . PHE B 1 103 ? 8.888 14.807 -14.763 1.00 35.25 ? 202 PHE B O 1 ATOM 1961 C CB . PHE B 1 103 ? 11.674 13.705 -14.414 1.00 34.87 ? 202 PHE B CB 1 ATOM 1962 C CG . PHE B 1 103 ? 11.819 13.916 -12.929 1.00 33.04 ? 202 PHE B CG 1 ATOM 1963 C CD1 . PHE B 1 103 ? 12.143 12.855 -12.082 1.00 33.12 ? 202 PHE B CD1 1 ATOM 1964 C CD2 . PHE B 1 103 ? 11.716 15.195 -12.395 1.00 33.23 ? 202 PHE B CD2 1 ATOM 1965 C CE1 . PHE B 1 103 ? 12.337 13.068 -10.688 1.00 32.00 ? 202 PHE B CE1 1 ATOM 1966 C CE2 . PHE B 1 103 ? 11.915 15.422 -11.005 1.00 34.47 ? 202 PHE B CE2 1 ATOM 1967 C CZ . PHE B 1 103 ? 12.249 14.350 -10.164 1.00 33.18 ? 202 PHE B CZ 1 ATOM 1968 N N . LEU B 1 104 ? 8.555 13.105 -13.301 1.00 34.12 ? 203 LEU B N 1 ATOM 1969 C CA . LEU B 1 104 ? 7.348 13.685 -12.699 1.00 34.80 ? 203 LEU B CA 1 ATOM 1970 C C . LEU B 1 104 ? 7.518 14.162 -11.242 1.00 33.48 ? 203 LEU B C 1 ATOM 1971 O O . LEU B 1 104 ? 6.559 14.651 -10.631 1.00 32.06 ? 203 LEU B O 1 ATOM 1972 C CB . LEU B 1 104 ? 6.192 12.677 -12.809 1.00 36.52 ? 203 LEU B CB 1 ATOM 1973 C CG . LEU B 1 104 ? 5.641 12.452 -14.214 1.00 35.66 ? 203 LEU B CG 1 ATOM 1974 C CD1 . LEU B 1 104 ? 4.644 11.276 -14.170 1.00 36.44 ? 203 LEU B CD1 1 ATOM 1975 C CD2 . LEU B 1 104 ? 4.932 13.745 -14.749 1.00 42.21 ? 203 LEU B CD2 1 ATOM 1976 N N . GLY B 1 105 ? 8.713 14.008 -10.676 1.00 30.49 ? 204 GLY B N 1 ATOM 1977 C CA . GLY B 1 105 ? 8.974 14.582 -9.341 1.00 30.23 ? 204 GLY B CA 1 ATOM 1978 C C . GLY B 1 105 ? 9.587 13.619 -8.351 1.00 31.85 ? 204 GLY B C 1 ATOM 1979 O O . GLY B 1 105 ? 9.536 12.408 -8.559 1.00 33.99 ? 204 GLY B O 1 ATOM 1980 N N . GLN B 1 106 ? 10.199 14.153 -7.283 1.00 29.78 ? 205 GLN B N 1 ATOM 1981 C CA . GLN B 1 106 ? 10.814 13.272 -6.291 1.00 28.17 ? 205 GLN B CA 1 ATOM 1982 C C . GLN B 1 106 ? 10.478 13.655 -4.869 1.00 29.36 ? 205 GLN B C 1 ATOM 1983 O O . GLN B 1 106 ? 10.120 14.831 -4.557 1.00 31.98 ? 205 GLN B O 1 ATOM 1984 C CB . GLN B 1 106 ? 12.346 13.259 -6.450 1.00 29.54 ? 205 GLN B CB 1 ATOM 1985 C CG . GLN B 1 106 ? 12.987 14.587 -6.113 1.00 30.50 ? 205 GLN B CG 1 ATOM 1986 C CD . GLN B 1 106 ? 14.500 14.532 -6.149 1.00 44.65 ? 205 GLN B CD 1 ATOM 1987 O OE1 . GLN B 1 106 ? 15.094 14.221 -7.175 1.00 42.80 ? 205 GLN B OE1 1 ATOM 1988 N NE2 . GLN B 1 106 ? 15.122 14.864 -5.032 1.00 46.92 ? 205 GLN B NE2 1 ATOM 1989 N N . VAL B 1 107 ? 10.694 12.693 -3.983 1.00 30.36 ? 206 VAL B N 1 ATOM 1990 C CA . VAL B 1 107 ? 10.491 12.888 -2.541 1.00 28.47 ? 206 VAL B CA 1 ATOM 1991 C C . VAL B 1 107 ? 11.659 12.169 -1.883 1.00 31.49 ? 206 VAL B C 1 ATOM 1992 O O . VAL B 1 107 ? 11.991 11.043 -2.278 1.00 31.77 ? 206 VAL B O 1 ATOM 1993 C CB . VAL B 1 107 ? 9.132 12.238 -2.101 1.00 28.33 ? 206 VAL B CB 1 ATOM 1994 C CG1 . VAL B 1 107 ? 8.987 12.162 -0.552 1.00 29.58 ? 206 VAL B CG1 1 ATOM 1995 C CG2 . VAL B 1 107 ? 7.905 13.001 -2.700 1.00 32.26 ? 206 VAL B CG2 1 ATOM 1996 N N . ASP B 1 108 ? 12.254 12.780 -0.855 1.00 30.16 ? 207 ASP B N 1 ATOM 1997 C CA . ASP B 1 108 ? 13.438 12.162 -0.197 1.00 31.29 ? 207 ASP B CA 1 ATOM 1998 C C . ASP B 1 108 ? 13.172 12.171 1.304 1.00 33.21 ? 207 ASP B C 1 ATOM 1999 O O . ASP B 1 108 ? 12.975 13.263 1.892 1.00 31.21 ? 207 ASP B O 1 ATOM 2000 C CB . ASP B 1 108 ? 14.706 12.952 -0.546 1.00 31.47 ? 207 ASP B CB 1 ATOM 2001 C CG . ASP B 1 108 ? 15.982 12.267 -0.056 1.00 30.93 ? 207 ASP B CG 1 ATOM 2002 O OD1 . ASP B 1 108 ? 16.037 11.925 1.135 1.00 34.41 ? 207 ASP B OD1 1 ATOM 2003 O OD2 . ASP B 1 108 ? 16.914 12.071 -0.887 1.00 35.67 ? 207 ASP B OD2 1 ATOM 2004 N N . VAL B 1 109 ? 13.100 10.989 1.926 1.00 31.16 ? 208 VAL B N 1 ATOM 2005 C CA . VAL B 1 109 ? 12.693 10.899 3.346 1.00 32.88 ? 208 VAL B CA 1 ATOM 2006 C C . VAL B 1 109 ? 13.622 10.025 4.188 1.00 32.63 ? 208 VAL B C 1 ATOM 2007 O O . VAL B 1 109 ? 14.212 9.105 3.670 1.00 32.34 ? 208 VAL B O 1 ATOM 2008 C CB . VAL B 1 109 ? 11.242 10.363 3.519 1.00 34.47 ? 208 VAL B CB 1 ATOM 2009 C CG1 . VAL B 1 109 ? 10.260 11.296 2.837 1.00 35.46 ? 208 VAL B CG1 1 ATOM 2010 C CG2 . VAL B 1 109 ? 11.119 8.909 2.971 1.00 37.80 ? 208 VAL B CG2 1 ATOM 2011 N N . PRO B 1 110 ? 13.752 10.343 5.490 1.00 33.28 ? 209 PRO B N 1 ATOM 2012 C CA . PRO B 1 110 ? 14.524 9.523 6.419 1.00 34.60 ? 209 PRO B CA 1 ATOM 2013 C C . PRO B 1 110 ? 13.720 8.265 6.795 1.00 34.93 ? 209 PRO B C 1 ATOM 2014 O O . PRO B 1 110 ? 12.497 8.221 6.585 1.00 34.78 ? 209 PRO B O 1 ATOM 2015 C CB . PRO B 1 110 ? 14.660 10.425 7.639 1.00 34.71 ? 209 PRO B CB 1 ATOM 2016 C CG . PRO B 1 110 ? 13.402 11.256 7.620 1.00 34.79 ? 209 PRO B CG 1 ATOM 2017 C CD . PRO B 1 110 ? 13.144 11.515 6.162 1.00 34.42 ? 209 PRO B CD 1 ATOM 2018 N N . LEU B 1 111 ? 14.398 7.289 7.395 1.00 35.20 ? 210 LEU B N 1 ATOM 2019 C CA . LEU B 1 111 ? 13.765 6.038 7.770 1.00 35.49 ? 210 LEU B CA 1 ATOM 2020 C C . LEU B 1 111 ? 13.570 5.924 9.291 1.00 36.71 ? 210 LEU B C 1 ATOM 2021 O O . LEU B 1 111 ? 13.235 4.838 9.819 1.00 38.26 ? 210 LEU B O 1 ATOM 2022 C CB . LEU B 1 111 ? 14.583 4.883 7.218 1.00 34.13 ? 210 LEU B CB 1 ATOM 2023 C CG . LEU B 1 111 ? 14.265 4.706 5.737 1.00 35.60 ? 210 LEU B CG 1 ATOM 2024 C CD1 . LEU B 1 111 ? 15.329 3.811 5.095 1.00 38.02 ? 210 LEU B CD1 1 ATOM 2025 C CD2 . LEU B 1 111 ? 12.847 4.074 5.583 1.00 40.12 ? 210 LEU B CD2 1 ATOM 2026 N N . TYR B 1 112 ? 13.762 7.049 9.987 1.00 38.03 ? 211 TYR B N 1 ATOM 2027 C CA . TYR B 1 112 ? 13.583 7.114 11.436 1.00 42.64 ? 211 TYR B CA 1 ATOM 2028 C C . TYR B 1 112 ? 13.193 8.546 11.785 1.00 46.03 ? 211 TYR B C 1 ATOM 2029 O O . TYR B 1 112 ? 13.730 9.496 11.181 1.00 46.38 ? 211 TYR B O 1 ATOM 2030 C CB . TYR B 1 112 ? 14.889 6.766 12.150 1.00 45.08 ? 211 TYR B CB 1 ATOM 2031 C CG . TYR B 1 112 ? 14.769 6.690 13.664 1.00 51.43 ? 211 TYR B CG 1 ATOM 2032 C CD1 . TYR B 1 112 ? 14.899 7.838 14.465 1.00 54.73 ? 211 TYR B CD1 1 ATOM 2033 C CD2 . TYR B 1 112 ? 14.531 5.470 14.295 1.00 54.25 ? 211 TYR B CD2 1 ATOM 2034 C CE1 . TYR B 1 112 ? 14.780 7.763 15.858 1.00 55.93 ? 211 TYR B CE1 1 ATOM 2035 C CE2 . TYR B 1 112 ? 14.423 5.383 15.680 1.00 55.88 ? 211 TYR B CE2 1 ATOM 2036 C CZ . TYR B 1 112 ? 14.542 6.530 16.455 1.00 58.14 ? 211 TYR B CZ 1 ATOM 2037 O OH . TYR B 1 112 ? 14.448 6.422 17.838 1.00 59.78 ? 211 TYR B OH 1 ATOM 2038 N N . PRO B 1 113 ? 12.231 8.719 12.711 1.00 46.59 ? 212 PRO B N 1 ATOM 2039 C CA . PRO B 1 113 ? 11.399 7.713 13.370 1.00 47.26 ? 212 PRO B CA 1 ATOM 2040 C C . PRO B 1 113 ? 10.224 7.295 12.491 1.00 47.41 ? 212 PRO B C 1 ATOM 2041 O O . PRO B 1 113 ? 9.656 8.136 11.776 1.00 48.78 ? 212 PRO B O 1 ATOM 2042 C CB . PRO B 1 113 ? 10.875 8.462 14.612 1.00 50.74 ? 212 PRO B CB 1 ATOM 2043 C CG . PRO B 1 113 ? 10.767 9.865 14.166 1.00 52.64 ? 212 PRO B CG 1 ATOM 2044 C CD . PRO B 1 113 ? 11.906 10.082 13.178 1.00 48.42 ? 212 PRO B CD 1 ATOM 2045 N N . LEU B 1 114 ? 9.893 6.008 12.513 1.00 45.85 ? 213 LEU B N 1 ATOM 2046 C CA . LEU B 1 114 ? 8.649 5.504 11.927 1.00 44.80 ? 213 LEU B CA 1 ATOM 2047 C C . LEU B 1 114 ? 7.981 4.571 12.936 1.00 47.60 ? 213 LEU B C 1 ATOM 2048 O O . LEU B 1 114 ? 8.677 3.914 13.728 1.00 47.57 ? 213 LEU B O 1 ATOM 2049 C CB . LEU B 1 114 ? 8.914 4.773 10.603 1.00 43.61 ? 213 LEU B CB 1 ATOM 2050 C CG . LEU B 1 114 ? 9.506 5.606 9.455 1.00 40.84 ? 213 LEU B CG 1 ATOM 2051 C CD1 . LEU B 1 114 ? 10.025 4.715 8.342 1.00 42.30 ? 213 LEU B CD1 1 ATOM 2052 C CD2 . LEU B 1 114 ? 8.503 6.612 8.898 1.00 44.98 ? 213 LEU B CD2 1 ATOM 2053 N N . PRO B 1 115 ? 6.641 4.497 12.927 1.00 45.03 ? 214 PRO B N 1 ATOM 2054 C CA . PRO B 1 115 ? 6.020 3.605 13.897 1.00 48.27 ? 214 PRO B CA 1 ATOM 2055 C C . PRO B 1 115 ? 6.179 2.141 13.540 1.00 47.60 ? 214 PRO B C 1 ATOM 2056 O O . PRO B 1 115 ? 6.338 1.802 12.368 1.00 47.18 ? 214 PRO B O 1 ATOM 2057 C CB . PRO B 1 115 ? 4.548 4.001 13.848 1.00 49.35 ? 214 PRO B CB 1 ATOM 2058 C CG . PRO B 1 115 ? 4.343 4.581 12.532 1.00 48.57 ? 214 PRO B CG 1 ATOM 2059 C CD . PRO B 1 115 ? 5.642 5.201 12.100 1.00 47.92 ? 214 PRO B CD 1 ATOM 2060 N N . THR B 1 116 ? 6.165 1.293 14.564 1.00 50.76 ? 215 THR B N 1 ATOM 2061 C CA . THR B 1 116 ? 6.145 -0.153 14.389 1.00 51.44 ? 215 THR B CA 1 ATOM 2062 C C . THR B 1 116 ? 4.694 -0.593 14.283 1.00 54.30 ? 215 THR B C 1 ATOM 2063 O O . THR B 1 116 ? 3.843 -0.097 15.024 1.00 55.35 ? 215 THR B O 1 ATOM 2064 C CB . THR B 1 116 ? 6.801 -0.867 15.589 1.00 53.30 ? 215 THR B CB 1 ATOM 2065 O OG1 . THR B 1 116 ? 8.181 -0.489 15.670 1.00 53.75 ? 215 THR B OG1 1 ATOM 2066 C CG2 . THR B 1 116 ? 6.713 -2.375 15.426 1.00 54.66 ? 215 THR B CG2 1 ATOM 2067 N N . GLU B 1 117 ? 4.409 -1.516 13.361 1.00 54.74 ? 216 GLU B N 1 ATOM 2068 C CA . GLU B 1 117 ? 3.086 -2.205 13.320 1.00 56.67 ? 216 GLU B CA 1 ATOM 2069 C C . GLU B 1 117 ? 2.745 -2.963 14.596 1.00 59.36 ? 216 GLU B C 1 ATOM 2070 O O . GLU B 1 117 ? 3.636 -3.518 15.241 1.00 55.75 ? 216 GLU B O 1 ATOM 2071 C CB . GLU B 1 117 ? 3.033 -3.171 12.136 1.00 57.83 ? 216 GLU B CB 1 ATOM 2072 C CG . GLU B 1 117 ? 3.216 -2.441 10.815 1.00 57.25 ? 216 GLU B CG 1 ATOM 2073 C CD . GLU B 1 117 ? 3.746 -3.311 9.690 1.00 58.77 ? 216 GLU B CD 1 ATOM 2074 O OE1 . GLU B 1 117 ? 3.665 -4.555 9.777 1.00 62.27 ? 216 GLU B OE1 1 ATOM 2075 O OE2 . GLU B 1 117 ? 4.255 -2.732 8.710 1.00 55.10 ? 216 GLU B OE2 1 ATOM 2076 N N . ASN B 1 118 ? 1.449 -2.989 14.930 1.00 62.05 ? 217 ASN B N 1 ATOM 2077 C CA . ASN B 1 118 ? 0.931 -3.716 16.115 1.00 65.83 ? 217 ASN B CA 1 ATOM 2078 C C . ASN B 1 118 ? 1.234 -5.230 16.066 1.00 68.61 ? 217 ASN B C 1 ATOM 2079 O O . ASN B 1 118 ? 0.338 -6.009 15.457 1.00 70.67 ? 217 ASN B O 1 ATOM 2080 C CB . ASN B 1 118 ? -0.575 -3.460 16.321 1.00 72.41 ? 217 ASN B CB 1 ATOM 2081 C CG . ASN B 1 118 ? -1.436 -3.990 15.181 1.00 75.93 ? 217 ASN B CG 1 ATOM 2082 O OD1 . ASN B 1 118 ? -0.995 -4.060 14.032 1.00 83.24 ? 217 ASN B OD1 1 ATOM 2083 N ND2 . ASN B 1 118 ? -2.677 -4.355 15.494 1.00 89.39 ? 217 ASN B ND2 1 ATOM 2084 N N . PRO B 1 124 ? -4.959 1.111 13.108 1.00 92.51 ? 223 PRO B N 1 ATOM 2085 C CA . PRO B 1 124 ? -4.209 1.262 11.847 1.00 89.81 ? 223 PRO B CA 1 ATOM 2086 C C . PRO B 1 124 ? -3.575 2.649 11.673 1.00 85.08 ? 223 PRO B C 1 ATOM 2087 O O . PRO B 1 124 ? -4.260 3.667 11.815 1.00 87.43 ? 223 PRO B O 1 ATOM 2088 C CB . PRO B 1 124 ? -5.282 1.033 10.763 1.00 93.56 ? 223 PRO B CB 1 ATOM 2089 C CG . PRO B 1 124 ? -6.599 1.240 11.458 1.00 98.02 ? 223 PRO B CG 1 ATOM 2090 C CD . PRO B 1 124 ? -6.382 0.800 12.880 1.00 99.76 ? 223 PRO B CD 1 ATOM 2091 N N . TYR B 1 125 ? -2.280 2.688 11.368 1.00 79.14 ? 224 TYR B N 1 ATOM 2092 C CA . TYR B 1 125 ? -1.628 3.938 10.965 1.00 74.31 ? 224 TYR B CA 1 ATOM 2093 C C . TYR B 1 125 ? -2.111 4.304 9.570 1.00 69.95 ? 224 TYR B C 1 ATOM 2094 O O . TYR B 1 125 ? -2.500 3.430 8.789 1.00 71.52 ? 224 TYR B O 1 ATOM 2095 C CB . TYR B 1 125 ? -0.095 3.829 11.002 1.00 77.75 ? 224 TYR B CB 1 ATOM 2096 C CG . TYR B 1 125 ? 0.437 3.621 12.405 1.00 84.18 ? 224 TYR B CG 1 ATOM 2097 C CD1 . TYR B 1 125 ? 0.652 4.708 13.261 1.00 86.77 ? 224 TYR B CD1 1 ATOM 2098 C CD2 . TYR B 1 125 ? 0.693 2.338 12.891 1.00 89.77 ? 224 TYR B CD2 1 ATOM 2099 C CE1 . TYR B 1 125 ? 1.115 4.516 14.574 1.00 94.36 ? 224 TYR B CE1 1 ATOM 2100 C CE2 . TYR B 1 125 ? 1.158 2.133 14.201 1.00 98.86 ? 224 TYR B CE2 1 ATOM 2101 C CZ . TYR B 1 125 ? 1.367 3.226 15.034 1.00 100.88 ? 224 TYR B CZ 1 ATOM 2102 O OH . TYR B 1 125 ? 1.838 3.029 16.315 1.00 109.38 ? 224 TYR B OH 1 ATOM 2103 N N . THR B 1 126 ? -2.105 5.587 9.250 1.00 62.81 ? 225 THR B N 1 ATOM 2104 C CA . THR B 1 126 ? -2.631 5.975 7.961 1.00 60.27 ? 225 THR B CA 1 ATOM 2105 C C . THR B 1 126 ? -1.582 6.693 7.126 1.00 53.04 ? 225 THR B C 1 ATOM 2106 O O . THR B 1 126 ? -0.432 6.839 7.554 1.00 56.83 ? 225 THR B O 1 ATOM 2107 C CB . THR B 1 126 ? -3.900 6.778 8.116 1.00 59.58 ? 225 THR B CB 1 ATOM 2108 O OG1 . THR B 1 126 ? -4.605 6.775 6.862 1.00 65.03 ? 225 THR B OG1 1 ATOM 2109 C CG2 . THR B 1 126 ? -3.585 8.221 8.607 1.00 62.58 ? 225 THR B CG2 1 ATOM 2110 N N . PHE B 1 127 ? -1.969 7.175 5.958 1.00 46.74 ? 226 PHE B N 1 ATOM 2111 C CA . PHE B 1 127 ? -0.959 7.685 5.014 1.00 41.31 ? 226 PHE B CA 1 ATOM 2112 C C . PHE B 1 127 ? -0.555 9.151 5.272 1.00 40.26 ? 226 PHE B C 1 ATOM 2113 O O . PHE B 1 127 ? -1.221 9.875 6.047 1.00 40.80 ? 226 PHE B O 1 ATOM 2114 C CB . PHE B 1 127 ? -1.497 7.543 3.588 1.00 39.62 ? 226 PHE B CB 1 ATOM 2115 C CG . PHE B 1 127 ? -2.791 8.307 3.343 1.00 38.08 ? 226 PHE B CG 1 ATOM 2116 C CD1 . PHE B 1 127 ? -2.751 9.667 3.064 1.00 33.36 ? 226 PHE B CD1 1 ATOM 2117 C CD2 . PHE B 1 127 ? -4.017 7.660 3.369 1.00 41.94 ? 226 PHE B CD2 1 ATOM 2118 C CE1 . PHE B 1 127 ? -3.922 10.396 2.849 1.00 35.95 ? 226 PHE B CE1 1 ATOM 2119 C CE2 . PHE B 1 127 ? -5.203 8.368 3.140 1.00 46.55 ? 226 PHE B CE2 1 ATOM 2120 C CZ . PHE B 1 127 ? -5.155 9.752 2.884 1.00 42.37 ? 226 PHE B CZ 1 ATOM 2121 N N . LYS B 1 128 ? 0.506 9.585 4.591 1.00 38.68 ? 227 LYS B N 1 ATOM 2122 C CA . LYS B 1 128 ? 0.926 10.980 4.537 1.00 39.71 ? 227 LYS B CA 1 ATOM 2123 C C . LYS B 1 128 ? 1.197 11.359 3.096 1.00 36.09 ? 227 LYS B C 1 ATOM 2124 O O . LYS B 1 128 ? 1.701 10.530 2.341 1.00 37.18 ? 227 LYS B O 1 ATOM 2125 C CB . LYS B 1 128 ? 2.200 11.203 5.345 1.00 42.32 ? 227 LYS B CB 1 ATOM 2126 C CG . LYS B 1 128 ? 2.018 11.239 6.875 1.00 51.04 ? 227 LYS B CG 1 ATOM 2127 C CD . LYS B 1 128 ? 3.330 11.723 7.564 1.00 58.15 ? 227 LYS B CD 1 ATOM 2128 C CE . LYS B 1 128 ? 3.832 13.073 6.962 1.00 63.51 ? 227 LYS B CE 1 ATOM 2129 N NZ . LYS B 1 128 ? 5.308 13.412 7.102 1.00 62.27 ? 227 LYS B NZ 1 ATOM 2130 N N . ASP B 1 129 ? 0.877 12.602 2.729 1.00 34.23 ? 228 ASP B N 1 ATOM 2131 C CA . ASP B 1 129 ? 1.224 13.114 1.398 1.00 33.53 ? 228 ASP B CA 1 ATOM 2132 C C . ASP B 1 129 ? 2.514 13.930 1.470 1.00 34.22 ? 228 ASP B C 1 ATOM 2133 O O . ASP B 1 129 ? 2.732 14.691 2.432 1.00 36.80 ? 228 ASP B O 1 ATOM 2134 C CB . ASP B 1 129 ? 0.113 14.006 0.848 1.00 36.32 ? 228 ASP B CB 1 ATOM 2135 C CG . ASP B 1 129 ? -1.106 13.223 0.391 1.00 37.60 ? 228 ASP B CG 1 ATOM 2136 O OD1 . ASP B 1 129 ? -1.020 11.984 0.215 1.00 39.41 ? 228 ASP B OD1 1 ATOM 2137 O OD2 . ASP B 1 129 ? -2.156 13.859 0.199 1.00 38.82 ? 228 ASP B OD2 1 ATOM 2138 N N . PHE B 1 130 ? 3.334 13.795 0.438 1.00 31.97 ? 229 PHE B N 1 ATOM 2139 C CA . PHE B 1 130 ? 4.622 14.458 0.333 1.00 34.79 ? 229 PHE B CA 1 ATOM 2140 C C . PHE B 1 130 ? 4.636 15.227 -0.977 1.00 33.70 ? 229 PHE B C 1 ATOM 2141 O O . PHE B 1 130 ? 4.373 14.662 -2.048 1.00 31.92 ? 229 PHE B O 1 ATOM 2142 C CB . PHE B 1 130 ? 5.747 13.418 0.344 1.00 34.39 ? 229 PHE B CB 1 ATOM 2143 C CG . PHE B 1 130 ? 5.873 12.665 1.663 1.00 35.98 ? 229 PHE B CG 1 ATOM 2144 C CD1 . PHE B 1 130 ? 5.064 11.561 1.932 1.00 34.71 ? 229 PHE B CD1 1 ATOM 2145 C CD2 . PHE B 1 130 ? 6.785 13.073 2.623 1.00 41.93 ? 229 PHE B CD2 1 ATOM 2146 C CE1 . PHE B 1 130 ? 5.162 10.883 3.169 1.00 36.54 ? 229 PHE B CE1 1 ATOM 2147 C CE2 . PHE B 1 130 ? 6.916 12.395 3.854 1.00 43.52 ? 229 PHE B CE2 1 ATOM 2148 C CZ . PHE B 1 130 ? 6.110 11.288 4.113 1.00 42.77 ? 229 PHE B CZ 1 ATOM 2149 N N . VAL B 1 131 ? 4.927 16.521 -0.908 1.00 33.75 ? 230 VAL B N 1 ATOM 2150 C CA . VAL B 1 131 ? 4.990 17.299 -2.154 1.00 35.71 ? 230 VAL B CA 1 ATOM 2151 C C . VAL B 1 131 ? 6.120 16.787 -3.069 1.00 33.92 ? 230 VAL B C 1 ATOM 2152 O O . VAL B 1 131 ? 7.225 16.468 -2.598 1.00 34.30 ? 230 VAL B O 1 ATOM 2153 C CB . VAL B 1 131 ? 5.094 18.793 -1.892 1.00 40.11 ? 230 VAL B CB 1 ATOM 2154 C CG1 . VAL B 1 131 ? 6.468 19.134 -1.344 1.00 42.32 ? 230 VAL B CG1 1 ATOM 2155 C CG2 . VAL B 1 131 ? 4.801 19.560 -3.183 1.00 42.08 ? 230 VAL B CG2 1 ATOM 2156 N N . LEU B 1 132 ? 5.826 16.680 -4.373 1.00 33.78 ? 231 LEU B N 1 ATOM 2157 C CA . LEU B 1 132 ? 6.826 16.239 -5.349 1.00 30.91 ? 231 LEU B CA 1 ATOM 2158 C C . LEU B 1 132 ? 7.722 17.429 -5.693 1.00 31.02 ? 231 LEU B C 1 ATOM 2159 O O . LEU B 1 132 ? 7.235 18.555 -5.867 1.00 33.73 ? 231 LEU B O 1 ATOM 2160 C CB . LEU B 1 132 ? 6.155 15.689 -6.619 1.00 31.88 ? 231 LEU B CB 1 ATOM 2161 C CG . LEU B 1 132 ? 5.585 14.288 -6.416 1.00 32.63 ? 231 LEU B CG 1 ATOM 2162 C CD1 . LEU B 1 132 ? 4.552 14.004 -7.550 1.00 31.65 ? 231 LEU B CD1 1 ATOM 2163 C CD2 . LEU B 1 132 ? 6.700 13.253 -6.397 1.00 31.94 ? 231 LEU B CD2 1 ATOM 2164 N N . HIS B 1 133 ? 9.033 17.176 -5.740 1.00 31.49 ? 232 HIS B N 1 ATOM 2165 C CA . HIS B 1 133 ? 10.064 18.209 -5.931 1.00 32.80 ? 232 HIS B CA 1 ATOM 2166 C C . HIS B 1 133 ? 10.737 18.077 -7.292 1.00 33.30 ? 232 HIS B C 1 ATOM 2167 O O . HIS B 1 133 ? 10.881 16.974 -7.789 1.00 32.91 ? 232 HIS B O 1 ATOM 2168 C CB . HIS B 1 133 ? 11.153 18.091 -4.855 1.00 33.97 ? 232 HIS B CB 1 ATOM 2169 C CG . HIS B 1 133 ? 10.665 18.425 -3.482 1.00 39.28 ? 232 HIS B CG 1 ATOM 2170 N ND1 . HIS B 1 133 ? 10.561 19.721 -3.025 1.00 43.00 ? 232 HIS B ND1 1 ATOM 2171 C CD2 . HIS B 1 133 ? 10.215 17.632 -2.479 1.00 39.95 ? 232 HIS B CD2 1 ATOM 2172 C CE1 . HIS B 1 133 ? 10.108 19.711 -1.780 1.00 44.60 ? 232 HIS B CE1 1 ATOM 2173 N NE2 . HIS B 1 133 ? 9.882 18.456 -1.426 1.00 42.43 ? 232 HIS B NE2 1 ATOM 2174 N N . PRO B 1 134 ? 11.195 19.204 -7.877 1.00 34.88 ? 233 PRO B N 1 ATOM 2175 C CA . PRO B 1 134 ? 11.937 19.092 -9.135 1.00 36.77 ? 233 PRO B CA 1 ATOM 2176 C C . PRO B 1 134 ? 13.346 18.560 -8.883 1.00 38.34 ? 233 PRO B C 1 ATOM 2177 O O . PRO B 1 134 ? 13.814 18.520 -7.731 1.00 38.85 ? 233 PRO B O 1 ATOM 2178 C CB . PRO B 1 134 ? 12.008 20.559 -9.620 1.00 40.31 ? 233 PRO B CB 1 ATOM 2179 C CG . PRO B 1 134 ? 12.088 21.352 -8.351 1.00 41.95 ? 233 PRO B CG 1 ATOM 2180 C CD . PRO B 1 134 ? 11.069 20.613 -7.436 1.00 39.74 ? 233 PRO B CD 1 ATOM 2181 N N . ARG B 1 135 ? 14.028 18.166 -9.948 1.00 40.33 ? 234 ARG B N 1 ATOM 2182 C CA . ARG B 1 135 ? 15.371 17.596 -9.795 1.00 42.88 ? 234 ARG B CA 1 ATOM 2183 C C . ARG B 1 135 ? 16.386 18.511 -10.424 1.00 45.81 ? 234 ARG B C 1 ATOM 2184 O O . ARG B 1 135 ? 17.612 18.308 -10.281 1.00 49.14 ? 234 ARG B O 1 ATOM 2185 C CB . ARG B 1 135 ? 15.426 16.199 -10.468 1.00 44.43 ? 234 ARG B CB 1 ATOM 2186 C CG . ARG B 1 135 ? 15.736 16.250 -11.940 1.00 47.19 ? 234 ARG B CG 1 ATOM 2187 C CD . ARG B 1 135 ? 15.187 15.121 -12.812 1.00 52.54 ? 234 ARG B CD 1 ATOM 2188 N NE . ARG B 1 135 ? 15.547 13.770 -12.412 1.00 58.29 ? 234 ARG B NE 1 ATOM 2189 C CZ . ARG B 1 135 ? 15.667 12.731 -13.254 1.00 61.52 ? 234 ARG B CZ 1 ATOM 2190 N NH1 . ARG B 1 135 ? 15.527 12.877 -14.578 1.00 55.90 ? 234 ARG B NH1 1 ATOM 2191 N NH2 . ARG B 1 135 ? 15.966 11.531 -12.763 1.00 64.02 ? 234 ARG B NH2 1 ATOM 2192 N N . SER B 1 136 ? 15.889 19.521 -11.128 1.00 50.90 ? 235 SER B N 1 ATOM 2193 C CA . SER B 1 136 ? 16.730 20.475 -11.799 1.00 57.75 ? 235 SER B CA 1 ATOM 2194 C C . SER B 1 136 ? 15.858 21.681 -12.101 1.00 59.21 ? 235 SER B C 1 ATOM 2195 O O . SER B 1 136 ? 14.653 21.620 -11.924 1.00 56.98 ? 235 SER B O 1 ATOM 2196 C CB . SER B 1 136 ? 17.288 19.872 -13.103 1.00 60.29 ? 235 SER B CB 1 ATOM 2197 O OG . SER B 1 136 ? 16.305 19.851 -14.136 1.00 62.46 ? 235 SER B OG 1 ATOM 2198 N N . HIS B 1 137 ? 16.467 22.767 -12.586 1.00 65.01 ? 236 HIS B N 1 ATOM 2199 C CA . HIS B 1 137 ? 15.704 23.963 -12.947 1.00 67.73 ? 236 HIS B CA 1 ATOM 2200 C C . HIS B 1 137 ? 14.854 23.726 -14.206 1.00 68.93 ? 236 HIS B C 1 ATOM 2201 O O . HIS B 1 137 ? 13.978 24.533 -14.538 1.00 69.88 ? 236 HIS B O 1 ATOM 2202 C CB . HIS B 1 137 ? 16.633 25.173 -13.107 1.00 71.73 ? 236 HIS B CB 1 ATOM 2203 N N . LYS B 1 138 ? 15.105 22.603 -14.887 1.00 68.19 ? 237 LYS B N 1 ATOM 2204 C CA . LYS B 1 138 ? 14.329 22.215 -16.076 1.00 68.08 ? 237 LYS B CA 1 ATOM 2205 C C . LYS B 1 138 ? 13.054 21.404 -15.746 1.00 64.99 ? 237 LYS B C 1 ATOM 2206 O O . LYS B 1 138 ? 12.109 21.398 -16.531 1.00 63.80 ? 237 LYS B O 1 ATOM 2207 C CB . LYS B 1 138 ? 15.214 21.461 -17.071 1.00 68.35 ? 237 LYS B CB 1 ATOM 2208 N N . SER B 1 139 ? 13.020 20.737 -14.588 1.00 63.47 ? 238 SER B N 1 ATOM 2209 C CA . SER B 1 139 ? 11.819 19.986 -14.166 1.00 61.30 ? 238 SER B CA 1 ATOM 2210 C C . SER B 1 139 ? 10.629 20.917 -14.006 1.00 61.32 ? 238 SER B C 1 ATOM 2211 O O . SER B 1 139 ? 10.739 21.958 -13.355 1.00 64.25 ? 238 SER B O 1 ATOM 2212 C CB . SER B 1 139 ? 12.011 19.257 -12.822 1.00 57.80 ? 238 SER B CB 1 ATOM 2213 O OG . SER B 1 139 ? 13.202 18.505 -12.736 1.00 59.78 ? 238 SER B OG 1 ATOM 2214 N N . ARG B 1 140 ? 9.501 20.542 -14.601 1.00 60.78 ? 239 ARG B N 1 ATOM 2215 C CA . ARG B 1 140 ? 8.199 21.110 -14.222 1.00 59.55 ? 239 ARG B CA 1 ATOM 2216 C C . ARG B 1 140 ? 7.417 19.983 -13.564 1.00 54.30 ? 239 ARG B C 1 ATOM 2217 O O . ARG B 1 140 ? 7.080 18.997 -14.221 1.00 55.76 ? 239 ARG B O 1 ATOM 2218 C CB . ARG B 1 140 ? 7.446 21.650 -15.441 1.00 63.67 ? 239 ARG B CB 1 ATOM 2219 C CG . ARG B 1 140 ? 6.100 22.333 -15.135 1.00 65.82 ? 239 ARG B CG 1 ATOM 2220 N N . VAL B 1 141 ? 7.168 20.090 -12.261 1.00 47.46 ? 240 VAL B N 1 ATOM 2221 C CA . VAL B 1 141 ? 6.433 19.037 -11.575 1.00 43.74 ? 240 VAL B CA 1 ATOM 2222 C C . VAL B 1 141 ? 5.344 19.605 -10.669 1.00 42.67 ? 240 VAL B C 1 ATOM 2223 O O . VAL B 1 141 ? 5.448 20.743 -10.197 1.00 40.29 ? 240 VAL B O 1 ATOM 2224 C CB . VAL B 1 141 ? 7.361 18.059 -10.786 1.00 43.49 ? 240 VAL B CB 1 ATOM 2225 C CG1 . VAL B 1 141 ? 8.579 17.662 -11.634 1.00 39.81 ? 240 VAL B CG1 1 ATOM 2226 C CG2 . VAL B 1 141 ? 7.781 18.639 -9.461 1.00 43.37 ? 240 VAL B CG2 1 ATOM 2227 N N . LYS B 1 142 ? 4.303 18.809 -10.441 1.00 38.46 ? 241 LYS B N 1 ATOM 2228 C CA . LYS B 1 142 ? 3.141 19.244 -9.649 1.00 38.93 ? 241 LYS B CA 1 ATOM 2229 C C . LYS B 1 142 ? 2.687 18.090 -8.789 1.00 37.51 ? 241 LYS B C 1 ATOM 2230 O O . LYS B 1 142 ? 3.015 16.931 -9.069 1.00 38.00 ? 241 LYS B O 1 ATOM 2231 C CB . LYS B 1 142 ? 1.960 19.655 -10.561 1.00 39.97 ? 241 LYS B CB 1 ATOM 2232 C CG . LYS B 1 142 ? 2.317 20.645 -11.638 1.00 48.17 ? 241 LYS B CG 1 ATOM 2233 C CD . LYS B 1 142 ? 1.111 21.309 -12.259 1.00 54.09 ? 241 LYS B CD 1 ATOM 2234 C CE . LYS B 1 142 ? 1.501 22.151 -13.494 1.00 62.72 ? 241 LYS B CE 1 ATOM 2235 N NZ . LYS B 1 142 ? 2.891 22.733 -13.420 1.00 67.31 ? 241 LYS B NZ 1 ATOM 2236 N N . GLY B 1 143 ? 1.932 18.399 -7.736 1.00 37.72 ? 242 GLY B N 1 ATOM 2237 C CA . GLY B 1 143 ? 1.222 17.380 -7.013 1.00 36.58 ? 242 GLY B CA 1 ATOM 2238 C C . GLY B 1 143 ? 2.001 16.667 -5.934 1.00 35.09 ? 242 GLY B C 1 ATOM 2239 O O . GLY B 1 143 ? 3.036 17.151 -5.484 1.00 34.31 ? 242 GLY B O 1 ATOM 2240 N N . TYR B 1 144 ? 1.452 15.543 -5.492 1.00 34.06 ? 243 TYR B N 1 ATOM 2241 C CA . TYR B 1 144 ? 1.919 14.878 -4.261 1.00 33.33 ? 243 TYR B CA 1 ATOM 2242 C C . TYR B 1 144 ? 2.029 13.399 -4.449 1.00 35.09 ? 243 TYR B C 1 ATOM 2243 O O . TYR B 1 144 ? 1.360 12.829 -5.326 1.00 37.06 ? 243 TYR B O 1 ATOM 2244 C CB . TYR B 1 144 ? 0.891 15.117 -3.129 1.00 34.88 ? 243 TYR B CB 1 ATOM 2245 C CG . TYR B 1 144 ? 0.853 16.554 -2.718 1.00 36.86 ? 243 TYR B CG 1 ATOM 2246 C CD1 . TYR B 1 144 ? 0.122 17.490 -3.451 1.00 37.65 ? 243 TYR B CD1 1 ATOM 2247 C CD2 . TYR B 1 144 ? 1.564 16.985 -1.595 1.00 40.54 ? 243 TYR B CD2 1 ATOM 2248 C CE1 . TYR B 1 144 ? 0.112 18.833 -3.091 1.00 42.30 ? 243 TYR B CE1 1 ATOM 2249 C CE2 . TYR B 1 144 ? 1.538 18.303 -1.208 1.00 40.24 ? 243 TYR B CE2 1 ATOM 2250 C CZ . TYR B 1 144 ? 0.826 19.225 -1.965 1.00 45.97 ? 243 TYR B CZ 1 ATOM 2251 O OH . TYR B 1 144 ? 0.824 20.547 -1.586 1.00 48.08 ? 243 TYR B OH 1 ATOM 2252 N N . LEU B 1 145 ? 2.856 12.784 -3.607 1.00 33.67 ? 244 LEU B N 1 ATOM 2253 C CA . LEU B 1 145 ? 3.021 11.336 -3.565 1.00 32.53 ? 244 LEU B CA 1 ATOM 2254 C C . LEU B 1 145 ? 2.510 10.875 -2.199 1.00 33.41 ? 244 LEU B C 1 ATOM 2255 O O . LEU B 1 145 ? 2.929 11.393 -1.167 1.00 34.13 ? 244 LEU B O 1 ATOM 2256 C CB . LEU B 1 145 ? 4.499 10.967 -3.735 1.00 32.30 ? 244 LEU B CB 1 ATOM 2257 C CG . LEU B 1 145 ? 4.844 9.474 -3.697 1.00 33.28 ? 244 LEU B CG 1 ATOM 2258 C CD1 . LEU B 1 145 ? 4.187 8.662 -4.847 1.00 34.32 ? 244 LEU B CD1 1 ATOM 2259 C CD2 . LEU B 1 145 ? 6.390 9.287 -3.704 1.00 36.62 ? 244 LEU B CD2 1 ATOM 2260 N N . ARG B 1 146 ? 1.602 9.906 -2.199 1.00 31.93 ? 245 ARG B N 1 ATOM 2261 C CA . ARG B 1 146 ? 0.977 9.433 -0.963 1.00 31.24 ? 245 ARG B CA 1 ATOM 2262 C C . ARG B 1 146 ? 1.630 8.123 -0.575 1.00 34.15 ? 245 ARG B C 1 ATOM 2263 O O . ARG B 1 146 ? 1.646 7.151 -1.373 1.00 32.03 ? 245 ARG B O 1 ATOM 2264 C CB . ARG B 1 146 ? -0.504 9.212 -1.203 1.00 32.77 ? 245 ARG B CB 1 ATOM 2265 C CG . ARG B 1 146 ? -1.329 8.733 -0.006 1.00 29.67 ? 245 ARG B CG 1 ATOM 2266 C CD . ARG B 1 146 ? -2.796 8.975 -0.336 1.00 29.46 ? 245 ARG B CD 1 ATOM 2267 N NE . ARG B 1 146 ? -3.085 10.404 -0.435 1.00 31.54 ? 245 ARG B NE 1 ATOM 2268 C CZ . ARG B 1 146 ? -4.246 10.912 -0.843 1.00 31.98 ? 245 ARG B CZ 1 ATOM 2269 N NH1 . ARG B 1 146 ? -5.273 10.109 -1.178 1.00 37.27 ? 245 ARG B NH1 1 ATOM 2270 N NH2 . ARG B 1 146 ? -4.392 12.228 -0.905 1.00 32.69 ? 245 ARG B NH2 1 ATOM 2271 N N . LEU B 1 147 ? 2.125 8.090 0.668 1.00 33.43 ? 246 LEU B N 1 ATOM 2272 C CA . LEU B 1 147 ? 2.886 6.960 1.167 1.00 35.02 ? 246 LEU B CA 1 ATOM 2273 C C . LEU B 1 147 ? 2.508 6.592 2.588 1.00 35.92 ? 246 LEU B C 1 ATOM 2274 O O . LEU B 1 147 ? 2.098 7.446 3.389 1.00 36.27 ? 246 LEU B O 1 ATOM 2275 C CB . LEU B 1 147 ? 4.385 7.306 1.191 1.00 35.47 ? 246 LEU B CB 1 ATOM 2276 C CG . LEU B 1 147 ? 5.064 7.848 -0.064 1.00 32.63 ? 246 LEU B CG 1 ATOM 2277 C CD1 . LEU B 1 147 ? 6.454 8.379 0.320 1.00 37.49 ? 246 LEU B CD1 1 ATOM 2278 C CD2 . LEU B 1 147 ? 5.114 6.765 -1.106 1.00 35.79 ? 246 LEU B CD2 1 ATOM 2279 N N . LYS B 1 148 ? 2.715 5.326 2.921 1.00 37.03 ? 247 LYS B N 1 ATOM 2280 C CA . LYS B 1 148 ? 2.644 4.906 4.320 1.00 38.60 ? 247 LYS B CA 1 ATOM 2281 C C . LYS B 1 148 ? 3.863 4.038 4.613 1.00 38.68 ? 247 LYS B C 1 ATOM 2282 O O . LYS B 1 148 ? 4.090 3.072 3.902 1.00 40.53 ? 247 LYS B O 1 ATOM 2283 C CB . LYS B 1 148 ? 1.366 4.119 4.559 1.00 40.50 ? 247 LYS B CB 1 ATOM 2284 C CG . LYS B 1 148 ? 1.275 3.503 5.981 1.00 39.61 ? 247 LYS B CG 1 ATOM 2285 C CD . LYS B 1 148 ? -0.120 2.944 6.215 1.00 48.96 ? 247 LYS B CD 1 ATOM 2286 C CE . LYS B 1 148 ? -0.109 1.944 7.344 1.00 58.67 ? 247 LYS B CE 1 ATOM 2287 N NZ . LYS B 1 148 ? 0.625 0.711 6.920 1.00 67.09 ? 247 LYS B NZ 1 ATOM 2288 N N . MET B 1 149 ? 4.645 4.396 5.634 1.00 36.15 ? 248 MET B N 1 ATOM 2289 C CA . MET B 1 149 ? 5.871 3.672 5.936 1.00 36.95 ? 248 MET B CA 1 ATOM 2290 C C . MET B 1 149 ? 5.849 3.283 7.411 1.00 40.47 ? 248 MET B C 1 ATOM 2291 O O . MET B 1 149 ? 5.651 4.145 8.300 1.00 40.40 ? 248 MET B O 1 ATOM 2292 C CB . MET B 1 149 ? 7.086 4.514 5.602 1.00 37.42 ? 248 MET B CB 1 ATOM 2293 C CG . MET B 1 149 ? 7.179 4.801 4.096 1.00 38.44 ? 248 MET B CG 1 ATOM 2294 S SD . MET B 1 149 ? 8.488 5.979 3.781 1.00 43.67 ? 248 MET B SD 1 ATOM 2295 C CE . MET B 1 149 ? 7.671 7.467 4.320 1.00 52.01 ? 248 MET B CE 1 ATOM 2296 N N . THR B 1 150 ? 5.968 1.980 7.658 1.00 37.82 ? 249 THR B N 1 ATOM 2297 C CA . THR B 1 150 ? 5.900 1.434 9.014 1.00 39.78 ? 249 THR B CA 1 ATOM 2298 C C . THR B 1 150 ? 6.917 0.319 9.106 1.00 41.30 ? 249 THR B C 1 ATOM 2299 O O . THR B 1 150 ? 7.273 -0.259 8.073 1.00 42.21 ? 249 THR B O 1 ATOM 2300 C CB . THR B 1 150 ? 4.483 0.880 9.341 1.00 43.43 ? 249 THR B CB 1 ATOM 2301 O OG1 . THR B 1 150 ? 4.113 -0.119 8.375 1.00 45.21 ? 249 THR B OG1 1 ATOM 2302 C CG2 . THR B 1 150 ? 3.428 2.018 9.327 1.00 43.89 ? 249 THR B CG2 1 ATOM 2303 N N . TYR B 1 151 ? 7.405 0.042 10.318 1.00 40.42 ? 250 TYR B N 1 ATOM 2304 C CA . TYR B 1 151 ? 8.311 -1.088 10.542 1.00 41.89 ? 250 TYR B CA 1 ATOM 2305 C C . TYR B 1 151 ? 7.571 -2.333 10.940 1.00 43.77 ? 250 TYR B C 1 ATOM 2306 O O . TYR B 1 151 ? 6.634 -2.267 11.726 1.00 44.08 ? 250 TYR B O 1 ATOM 2307 C CB . TYR B 1 151 ? 9.361 -0.768 11.616 1.00 41.29 ? 250 TYR B CB 1 ATOM 2308 C CG . TYR B 1 151 ? 10.461 0.086 11.041 1.00 43.43 ? 250 TYR B CG 1 ATOM 2309 C CD1 . TYR B 1 151 ? 11.393 -0.471 10.169 1.00 44.37 ? 250 TYR B CD1 1 ATOM 2310 C CD2 . TYR B 1 151 ? 10.562 1.435 11.353 1.00 42.12 ? 250 TYR B CD2 1 ATOM 2311 C CE1 . TYR B 1 151 ? 12.421 0.293 9.617 1.00 46.81 ? 250 TYR B CE1 1 ATOM 2312 C CE2 . TYR B 1 151 ? 11.586 2.227 10.783 1.00 40.24 ? 250 TYR B CE2 1 ATOM 2313 C CZ . TYR B 1 151 ? 12.498 1.642 9.913 1.00 44.04 ? 250 TYR B CZ 1 ATOM 2314 O OH . TYR B 1 151 ? 13.509 2.366 9.324 1.00 41.06 ? 250 TYR B OH 1 ATOM 2315 N N . LEU B 1 152 ? 8.031 -3.472 10.427 1.00 45.74 ? 251 LEU B N 1 ATOM 2316 C CA . LEU B 1 152 ? 7.545 -4.775 10.885 1.00 50.31 ? 251 LEU B CA 1 ATOM 2317 C C . LEU B 1 152 ? 7.912 -4.990 12.352 1.00 55.35 ? 251 LEU B C 1 ATOM 2318 O O . LEU B 1 152 ? 8.966 -4.513 12.804 1.00 55.75 ? 251 LEU B O 1 ATOM 2319 C CB . LEU B 1 152 ? 8.130 -5.900 10.025 1.00 49.29 ? 251 LEU B CB 1 ATOM 2320 C CG . LEU B 1 152 ? 7.366 -6.265 8.742 1.00 50.34 ? 251 LEU B CG 1 ATOM 2321 C CD1 . LEU B 1 152 ? 7.189 -5.095 7.776 1.00 46.14 ? 251 LEU B CD1 1 ATOM 2322 C CD2 . LEU B 1 152 ? 8.101 -7.393 8.045 1.00 50.37 ? 251 LEU B CD2 1 ATOM 2323 N N . PRO B 1 153 ? 7.042 -5.692 13.108 1.00 60.01 ? 252 PRO B N 1 ATOM 2324 C CA . PRO B 1 153 ? 7.358 -6.050 14.482 1.00 65.21 ? 252 PRO B CA 1 ATOM 2325 C C . PRO B 1 153 ? 8.237 -7.300 14.565 1.00 69.21 ? 252 PRO B C 1 ATOM 2326 O O . PRO B 1 153 ? 7.979 -8.169 15.399 1.00 74.97 ? 252 PRO B O 1 ATOM 2327 C CB . PRO B 1 153 ? 5.984 -6.348 15.080 1.00 66.80 ? 252 PRO B CB 1 ATOM 2328 C CG . PRO B 1 153 ? 5.203 -6.880 13.946 1.00 66.60 ? 252 PRO B CG 1 ATOM 2329 C CD . PRO B 1 153 ? 5.695 -6.151 12.718 1.00 60.77 ? 252 PRO B CD 1 ATOM 2330 O OXT . PRO B 1 153 ? 9.214 -7.486 13.827 1.00 68.25 ? 252 PRO B OXT 1 HETATM 2331 CA CA . CA C 2 . ? 0.593 11.828 19.296 1.00 87.00 ? 301 CA A CA 1 HETATM 2332 CA CA . CA D 2 . ? -2.515 16.052 24.962 1.00 95.39 ? 302 CA A CA 1 HETATM 2333 O O . HOH E 3 . ? -9.847 14.960 8.604 1.00 35.69 ? 303 HOH A O 1 HETATM 2334 O O . HOH E 3 . ? -5.067 28.603 3.400 1.00 35.79 ? 304 HOH A O 1 HETATM 2335 O O . HOH E 3 . ? -18.481 33.527 17.650 1.00 41.67 ? 305 HOH A O 1 HETATM 2336 O O . HOH E 3 . ? -15.609 31.911 5.197 1.00 38.03 ? 306 HOH A O 1 HETATM 2337 O O . HOH E 3 . ? -5.918 32.399 9.411 1.00 50.48 ? 307 HOH A O 1 HETATM 2338 O O . HOH E 3 . ? -21.616 16.323 10.149 1.00 42.50 ? 308 HOH A O 1 HETATM 2339 O O . HOH E 3 . ? -21.038 16.365 20.194 1.00 48.35 ? 309 HOH A O 1 HETATM 2340 O O . HOH E 3 . ? -4.544 13.391 4.797 1.00 37.45 ? 310 HOH A O 1 HETATM 2341 O O . HOH E 3 . ? -2.056 16.319 3.490 1.00 40.05 ? 311 HOH A O 1 HETATM 2342 O O . HOH E 3 . ? -22.285 17.908 12.297 1.00 43.80 ? 312 HOH A O 1 HETATM 2343 O O . HOH E 3 . ? -20.453 18.922 -2.214 1.00 39.69 ? 313 HOH A O 1 HETATM 2344 O O . HOH E 3 . ? -1.554 20.428 3.656 1.00 48.97 ? 314 HOH A O 1 HETATM 2345 O O . HOH E 3 . ? -25.374 27.517 14.603 1.00 46.43 ? 315 HOH A O 1 HETATM 2346 O O . HOH E 3 . ? -5.660 30.972 4.778 1.00 42.26 ? 316 HOH A O 1 HETATM 2347 O O . HOH E 3 . ? -1.443 21.073 15.032 1.00 45.56 ? 317 HOH A O 1 HETATM 2348 O O . HOH E 3 . ? -0.458 17.686 1.464 1.00 38.91 ? 318 HOH A O 1 HETATM 2349 O O . HOH E 3 . ? -18.506 20.927 -8.936 1.00 51.46 ? 319 HOH A O 1 HETATM 2350 O O . HOH E 3 . ? -14.118 31.092 -6.168 1.00 46.13 ? 320 HOH A O 1 HETATM 2351 O O . HOH E 3 . ? -1.957 16.528 -0.529 1.00 39.77 ? 321 HOH A O 1 HETATM 2352 O O . HOH E 3 . ? -23.655 34.018 12.927 1.00 46.94 ? 322 HOH A O 1 HETATM 2353 O O . HOH E 3 . ? -1.699 29.493 4.174 1.00 41.66 ? 323 HOH A O 1 HETATM 2354 O O . HOH E 3 . ? -3.073 16.532 7.584 1.00 54.44 ? 324 HOH A O 1 HETATM 2355 O O . HOH E 3 . ? -3.465 27.542 5.401 1.00 42.75 ? 325 HOH A O 1 HETATM 2356 O O . HOH E 3 . ? -17.863 11.296 7.274 1.00 47.73 ? 326 HOH A O 1 HETATM 2357 O O . HOH E 3 . ? -24.885 16.045 1.823 1.00 45.72 ? 327 HOH A O 1 HETATM 2358 O O . HOH E 3 . ? 0.592 23.733 16.373 1.00 52.05 ? 328 HOH A O 1 HETATM 2359 O O . HOH E 3 . ? -2.909 16.652 -2.914 1.00 46.33 ? 329 HOH A O 1 HETATM 2360 O O . HOH E 3 . ? -7.035 12.699 5.581 1.00 39.56 ? 330 HOH A O 1 HETATM 2361 O O . HOH E 3 . ? -8.246 29.101 22.828 1.00 47.13 ? 331 HOH A O 1 HETATM 2362 O O . HOH E 3 . ? -15.613 16.383 21.872 1.00 48.62 ? 332 HOH A O 1 HETATM 2363 O O . HOH E 3 . ? -22.021 16.176 -1.518 1.00 45.28 ? 333 HOH A O 1 HETATM 2364 O O . HOH E 3 . ? -4.339 28.264 7.882 1.00 42.79 ? 334 HOH A O 1 HETATM 2365 O O . HOH E 3 . ? -18.623 12.060 -6.556 1.00 55.76 ? 335 HOH A O 1 HETATM 2366 O O . HOH E 3 . ? -21.920 29.737 4.723 1.00 49.45 ? 336 HOH A O 1 HETATM 2367 O O . HOH E 3 . ? -1.963 27.629 19.016 1.00 55.86 ? 337 HOH A O 1 HETATM 2368 O O A HOH E 3 . ? -7.222 35.341 2.083 0.50 40.79 ? 338 HOH A O 1 HETATM 2369 O O B HOH E 3 . ? -7.846 35.745 0.441 0.50 46.57 ? 338 HOH A O 1 HETATM 2370 O O . HOH E 3 . ? -4.748 28.993 15.363 1.00 58.30 ? 339 HOH A O 1 HETATM 2371 O O . HOH E 3 . ? -20.102 13.784 -4.920 1.00 44.73 ? 340 HOH A O 1 HETATM 2372 O O . HOH E 3 . ? -1.801 25.353 6.134 1.00 48.93 ? 341 HOH A O 1 HETATM 2373 O O . HOH E 3 . ? -22.846 31.251 -4.054 1.00 64.53 ? 342 HOH A O 1 HETATM 2374 O O . HOH E 3 . ? -16.764 34.128 10.462 1.00 50.99 ? 343 HOH A O 1 HETATM 2375 O O . HOH E 3 . ? -11.649 37.291 15.676 1.00 66.05 ? 344 HOH A O 1 HETATM 2376 O O . HOH E 3 . ? -22.041 23.272 3.841 1.00 48.07 ? 345 HOH A O 1 HETATM 2377 O O . HOH E 3 . ? -24.964 31.892 14.242 1.00 58.04 ? 346 HOH A O 1 HETATM 2378 O O . HOH E 3 . ? -3.418 25.064 -5.151 1.00 62.72 ? 347 HOH A O 1 HETATM 2379 O O A HOH E 3 . ? -21.146 28.177 8.377 0.50 44.35 ? 348 HOH A O 1 HETATM 2380 O O B HOH E 3 . ? -20.727 27.971 6.256 0.50 35.50 ? 348 HOH A O 1 HETATM 2381 O O . HOH E 3 . ? -7.574 10.309 -3.840 1.00 42.43 ? 349 HOH A O 1 HETATM 2382 O O . HOH E 3 . ? -3.042 31.884 6.036 1.00 49.84 ? 350 HOH A O 1 HETATM 2383 O O . HOH E 3 . ? -1.330 21.075 7.555 1.00 46.98 ? 351 HOH A O 1 HETATM 2384 O O . HOH E 3 . ? 2.739 29.728 3.251 1.00 59.17 ? 352 HOH A O 1 HETATM 2385 O O . HOH E 3 . ? -13.477 9.767 10.528 1.00 58.09 ? 353 HOH A O 1 HETATM 2386 O O . HOH E 3 . ? -23.878 21.868 5.491 1.00 56.01 ? 354 HOH A O 1 HETATM 2387 O O . HOH E 3 . ? -9.978 12.673 -4.671 1.00 53.63 ? 355 HOH A O 1 HETATM 2388 O O . HOH E 3 . ? -2.612 25.049 9.066 1.00 53.12 ? 356 HOH A O 1 HETATM 2389 O O . HOH E 3 . ? -6.962 33.289 4.382 1.00 51.12 ? 357 HOH A O 1 HETATM 2390 O O . HOH E 3 . ? -24.770 28.817 18.037 1.00 58.66 ? 358 HOH A O 1 HETATM 2391 O O . HOH E 3 . ? -1.417 26.653 10.737 1.00 63.16 ? 359 HOH A O 1 HETATM 2392 O O . HOH E 3 . ? -4.814 19.565 -9.411 1.00 53.96 ? 360 HOH A O 1 HETATM 2393 O O . HOH E 3 . ? -15.419 34.574 6.141 1.00 56.92 ? 361 HOH A O 1 HETATM 2394 O O . HOH E 3 . ? -25.355 16.505 12.010 1.00 64.99 ? 362 HOH A O 1 HETATM 2395 O O . HOH E 3 . ? -24.072 25.569 19.603 1.00 52.51 ? 363 HOH A O 1 HETATM 2396 O O . HOH E 3 . ? -4.917 17.849 -7.158 1.00 56.28 ? 364 HOH A O 1 HETATM 2397 O O . HOH E 3 . ? -3.201 20.546 -1.697 1.00 53.55 ? 365 HOH A O 1 HETATM 2398 O O . HOH E 3 . ? -4.587 12.087 14.347 1.00 61.84 ? 366 HOH A O 1 HETATM 2399 O O . HOH E 3 . ? -15.562 23.281 28.679 1.00 67.08 ? 367 HOH A O 1 HETATM 2400 O O . HOH E 3 . ? -24.330 11.635 16.624 1.00 67.42 ? 368 HOH A O 1 HETATM 2401 O O . HOH E 3 . ? -24.554 28.485 -3.964 1.00 71.61 ? 369 HOH A O 1 HETATM 2402 O O . HOH E 3 . ? 1.546 26.535 17.608 1.00 70.31 ? 370 HOH A O 1 HETATM 2403 O O . HOH E 3 . ? -23.896 34.313 -2.728 1.00 58.19 ? 371 HOH A O 1 HETATM 2404 O O . HOH E 3 . ? -24.854 20.007 13.435 1.00 61.27 ? 372 HOH A O 1 HETATM 2405 O O . HOH E 3 . ? -19.793 10.021 22.248 1.00 58.57 ? 373 HOH A O 1 HETATM 2406 O O . HOH E 3 . ? -26.227 21.364 0.411 1.00 61.71 ? 374 HOH A O 1 HETATM 2407 O O . HOH E 3 . ? -24.303 28.461 3.951 1.00 57.02 ? 375 HOH A O 1 HETATM 2408 O O . HOH E 3 . ? -7.664 20.806 29.527 1.00 67.52 ? 376 HOH A O 1 HETATM 2409 O O . HOH E 3 . ? -19.704 9.903 12.357 1.00 62.50 ? 377 HOH A O 1 HETATM 2410 O O . HOH E 3 . ? -5.729 34.289 6.322 1.00 70.44 ? 378 HOH A O 1 HETATM 2411 O O . HOH E 3 . ? -7.881 32.581 19.062 1.00 66.43 ? 379 HOH A O 1 HETATM 2412 O O . HOH E 3 . ? -26.800 22.674 22.360 1.00 66.26 ? 380 HOH A O 1 HETATM 2413 O O . HOH E 3 . ? -17.998 23.626 28.611 1.00 67.09 ? 381 HOH A O 1 HETATM 2414 O O . HOH E 3 . ? -11.291 31.870 11.421 1.00 53.82 ? 382 HOH A O 1 HETATM 2415 O O . HOH E 3 . ? -0.444 22.603 11.614 1.00 57.84 ? 383 HOH A O 1 HETATM 2416 O O . HOH E 3 . ? -24.174 23.936 2.034 1.00 54.37 ? 384 HOH A O 1 HETATM 2417 O O . HOH E 3 . ? -20.329 12.043 10.189 1.00 62.05 ? 385 HOH A O 1 HETATM 2418 O O . HOH E 3 . ? -11.230 36.309 -5.441 1.00 63.74 ? 386 HOH A O 1 HETATM 2419 O O . HOH E 3 . ? -3.455 14.213 12.366 1.00 68.24 ? 387 HOH A O 1 HETATM 2420 O O . HOH E 3 . ? -23.218 17.751 8.118 1.00 57.14 ? 388 HOH A O 1 HETATM 2421 O O . HOH E 3 . ? -22.859 18.058 23.285 1.00 60.79 ? 389 HOH A O 1 HETATM 2422 O O . HOH E 3 . ? -13.006 4.811 -5.646 1.00 51.98 ? 390 HOH A O 1 HETATM 2423 O O . HOH E 3 . ? -12.880 6.934 18.678 1.00 61.00 ? 391 HOH A O 1 HETATM 2424 O O . HOH F 3 . ? 14.632 6.490 -7.094 1.00 34.47 ? 253 HOH B O 1 HETATM 2425 O O . HOH F 3 . ? 8.490 15.960 -0.263 1.00 38.24 ? 254 HOH B O 1 HETATM 2426 O O . HOH F 3 . ? 17.158 7.803 8.144 1.00 40.23 ? 255 HOH B O 1 HETATM 2427 O O . HOH F 3 . ? 8.543 -6.288 -1.417 1.00 36.19 ? 256 HOH B O 1 HETATM 2428 O O . HOH F 3 . ? 4.184 15.799 -11.268 1.00 37.74 ? 257 HOH B O 1 HETATM 2429 O O . HOH F 3 . ? 5.791 -4.694 -4.838 1.00 44.48 ? 258 HOH B O 1 HETATM 2430 O O . HOH F 3 . ? 2.946 11.365 -21.571 1.00 39.90 ? 259 HOH B O 1 HETATM 2431 O O . HOH F 3 . ? 4.744 19.334 -6.616 1.00 38.40 ? 260 HOH B O 1 HETATM 2432 O O . HOH F 3 . ? -3.556 14.471 2.307 1.00 41.54 ? 261 HOH B O 1 HETATM 2433 O O . HOH F 3 . ? 10.073 6.769 -18.077 1.00 36.20 ? 262 HOH B O 1 HETATM 2434 O O . HOH F 3 . ? 11.175 15.329 -0.136 1.00 40.94 ? 263 HOH B O 1 HETATM 2435 O O . HOH F 3 . ? 5.798 -6.498 -0.935 1.00 42.29 ? 264 HOH B O 1 HETATM 2436 O O . HOH F 3 . ? 3.278 0.568 5.836 1.00 39.21 ? 265 HOH B O 1 HETATM 2437 O O . HOH F 3 . ? 30.591 8.228 -0.097 1.00 39.60 ? 266 HOH B O 1 HETATM 2438 O O . HOH F 3 . ? 15.993 14.345 7.222 1.00 41.49 ? 267 HOH B O 1 HETATM 2439 O O . HOH F 3 . ? -0.476 14.314 4.685 1.00 35.63 ? 268 HOH B O 1 HETATM 2440 O O . HOH F 3 . ? 6.920 -0.251 -13.992 1.00 43.71 ? 269 HOH B O 1 HETATM 2441 O O . HOH F 3 . ? 18.513 10.841 7.637 1.00 41.42 ? 270 HOH B O 1 HETATM 2442 O O . HOH F 3 . ? 13.950 8.060 -19.888 1.00 40.05 ? 271 HOH B O 1 HETATM 2443 O O . HOH F 3 . ? 4.050 3.260 -21.495 1.00 39.67 ? 272 HOH B O 1 HETATM 2444 O O . HOH F 3 . ? 10.099 9.444 7.152 1.00 43.72 ? 273 HOH B O 1 HETATM 2445 O O . HOH F 3 . ? 16.479 -7.522 9.593 1.00 48.15 ? 274 HOH B O 1 HETATM 2446 O O . HOH F 3 . ? 1.809 -4.856 -2.794 1.00 53.10 ? 275 HOH B O 1 HETATM 2447 O O . HOH F 3 . ? 7.997 -8.792 -3.902 1.00 45.21 ? 276 HOH B O 1 HETATM 2448 O O . HOH F 3 . ? -5.034 4.180 -10.929 1.00 42.82 ? 277 HOH B O 1 HETATM 2449 O O . HOH F 3 . ? 8.968 18.778 1.451 1.00 48.96 ? 278 HOH B O 1 HETATM 2450 O O . HOH F 3 . ? 8.142 -6.119 -4.147 1.00 45.34 ? 279 HOH B O 1 HETATM 2451 O O . HOH F 3 . ? 22.506 9.098 7.487 1.00 42.47 ? 280 HOH B O 1 HETATM 2452 O O . HOH F 3 . ? -4.703 9.322 -6.954 1.00 43.24 ? 281 HOH B O 1 HETATM 2453 O O . HOH F 3 . ? 4.598 17.880 1.693 1.00 47.26 ? 282 HOH B O 1 HETATM 2454 O O . HOH F 3 . ? 0.420 13.524 -19.370 1.00 47.23 ? 283 HOH B O 1 HETATM 2455 O O . HOH F 3 . ? 13.394 6.885 -16.322 1.00 49.69 ? 284 HOH B O 1 HETATM 2456 O O . HOH F 3 . ? -5.310 11.582 -17.554 1.00 50.02 ? 285 HOH B O 1 HETATM 2457 O O . HOH F 3 . ? 2.085 17.317 2.594 1.00 41.75 ? 286 HOH B O 1 HETATM 2458 O O . HOH F 3 . ? 17.240 13.924 -2.837 1.00 44.34 ? 287 HOH B O 1 HETATM 2459 O O . HOH F 3 . ? -5.360 8.668 -4.536 1.00 47.99 ? 288 HOH B O 1 HETATM 2460 O O . HOH F 3 . ? 5.840 -1.748 -17.418 1.00 48.52 ? 289 HOH B O 1 HETATM 2461 O O . HOH F 3 . ? -2.961 17.070 -12.781 1.00 41.19 ? 290 HOH B O 1 HETATM 2462 O O . HOH F 3 . ? 7.935 -23.121 -1.853 1.00 53.51 ? 291 HOH B O 1 HETATM 2463 O O . HOH F 3 . ? 11.589 -5.003 11.399 1.00 45.51 ? 292 HOH B O 1 HETATM 2464 O O . HOH F 3 . ? 11.906 -3.280 -9.836 1.00 44.62 ? 293 HOH B O 1 HETATM 2465 O O . HOH F 3 . ? 13.705 17.182 -14.929 1.00 55.26 ? 294 HOH B O 1 HETATM 2466 O O . HOH F 3 . ? 30.208 5.954 -3.219 1.00 52.39 ? 295 HOH B O 1 HETATM 2467 O O . HOH F 3 . ? -5.834 7.327 -0.931 1.00 39.04 ? 296 HOH B O 1 HETATM 2468 O O . HOH F 3 . ? -5.809 11.632 -14.909 1.00 46.14 ? 297 HOH B O 1 HETATM 2469 O O . HOH F 3 . ? 18.126 -5.915 -2.982 1.00 52.41 ? 298 HOH B O 1 HETATM 2470 O O . HOH F 3 . ? 4.047 14.754 4.849 1.00 47.43 ? 299 HOH B O 1 HETATM 2471 O O . HOH F 3 . ? 9.528 12.126 6.844 1.00 43.25 ? 300 HOH B O 1 HETATM 2472 O O . HOH F 3 . ? -2.821 19.335 -11.149 1.00 51.85 ? 301 HOH B O 1 HETATM 2473 O O . HOH F 3 . ? 14.877 18.085 -5.201 1.00 53.64 ? 302 HOH B O 1 HETATM 2474 O O . HOH F 3 . ? 25.291 2.106 0.073 1.00 52.39 ? 303 HOH B O 1 HETATM 2475 O O . HOH F 3 . ? 9.250 -0.583 18.262 1.00 62.65 ? 304 HOH B O 1 HETATM 2476 O O . HOH F 3 . ? -2.385 12.526 6.065 1.00 44.93 ? 305 HOH B O 1 HETATM 2477 O O . HOH F 3 . ? 9.081 0.999 -17.266 1.00 51.34 ? 306 HOH B O 1 HETATM 2478 O O . HOH F 3 . ? -0.888 11.823 -25.593 1.00 49.10 ? 307 HOH B O 1 HETATM 2479 O O . HOH F 3 . ? 4.349 21.902 -6.282 1.00 57.19 ? 308 HOH B O 1 HETATM 2480 O O . HOH F 3 . ? 25.262 9.033 7.611 1.00 55.65 ? 309 HOH B O 1 HETATM 2481 O O . HOH F 3 . ? 14.080 14.851 5.026 1.00 59.04 ? 310 HOH B O 1 HETATM 2482 O O . HOH F 3 . ? 14.945 10.375 -16.686 1.00 54.12 ? 311 HOH B O 1 HETATM 2483 O O . HOH F 3 . ? -5.372 15.604 -12.081 1.00 50.44 ? 312 HOH B O 1 HETATM 2484 O O . HOH F 3 . ? 4.939 -8.322 -3.130 1.00 47.76 ? 313 HOH B O 1 HETATM 2485 O O . HOH F 3 . ? -5.193 5.083 0.928 1.00 48.75 ? 314 HOH B O 1 HETATM 2486 O O . HOH F 3 . ? -7.217 9.986 -13.586 1.00 74.79 ? 315 HOH B O 1 HETATM 2487 O O . HOH F 3 . ? 4.068 -7.035 1.134 1.00 45.87 ? 316 HOH B O 1 HETATM 2488 O O . HOH F 3 . ? -1.074 20.126 0.905 1.00 53.67 ? 317 HOH B O 1 HETATM 2489 O O . HOH F 3 . ? 17.374 -8.287 1.147 1.00 56.68 ? 318 HOH B O 1 HETATM 2490 O O . HOH F 3 . ? 10.008 17.208 -15.443 1.00 58.66 ? 319 HOH B O 1 HETATM 2491 O O . HOH F 3 . ? -6.546 14.346 -14.390 1.00 51.82 ? 320 HOH B O 1 HETATM 2492 O O . HOH F 3 . ? 21.869 -12.567 11.235 1.00 48.70 ? 321 HOH B O 1 HETATM 2493 O O . HOH F 3 . ? 14.986 10.525 -20.615 1.00 45.39 ? 322 HOH B O 1 HETATM 2494 O O . HOH F 3 . ? -3.467 0.632 -15.364 1.00 48.93 ? 323 HOH B O 1 HETATM 2495 O O . HOH F 3 . ? 12.445 15.211 -17.484 1.00 55.93 ? 324 HOH B O 1 HETATM 2496 O O . HOH F 3 . ? 7.740 21.262 -5.483 1.00 54.80 ? 325 HOH B O 1 HETATM 2497 O O . HOH F 3 . ? 16.805 -6.681 13.724 1.00 59.15 ? 326 HOH B O 1 HETATM 2498 O O . HOH F 3 . ? 13.419 15.922 -2.619 1.00 53.30 ? 327 HOH B O 1 HETATM 2499 O O . HOH F 3 . ? -3.144 -0.353 -8.792 1.00 47.58 ? 328 HOH B O 1 HETATM 2500 O O . HOH F 3 . ? 5.775 9.687 -25.818 1.00 55.20 ? 329 HOH B O 1 HETATM 2501 O O . HOH F 3 . ? 17.768 6.056 18.704 1.00 56.32 ? 330 HOH B O 1 HETATM 2502 O O . HOH F 3 . ? 7.925 -2.038 -15.871 1.00 61.20 ? 331 HOH B O 1 HETATM 2503 O O . HOH F 3 . ? -0.632 -1.753 -10.104 1.00 65.95 ? 332 HOH B O 1 HETATM 2504 O O . HOH F 3 . ? 4.072 -2.445 -14.997 1.00 46.86 ? 333 HOH B O 1 HETATM 2505 O O . HOH F 3 . ? -5.822 6.338 -3.255 1.00 45.95 ? 334 HOH B O 1 HETATM 2506 O O . HOH F 3 . ? 19.750 2.338 -8.904 1.00 66.19 ? 335 HOH B O 1 HETATM 2507 O O . HOH F 3 . ? 4.209 6.111 9.139 1.00 58.30 ? 336 HOH B O 1 HETATM 2508 O O . HOH F 3 . ? 9.298 1.906 15.422 1.00 50.79 ? 337 HOH B O 1 HETATM 2509 O O . HOH F 3 . ? -0.070 6.450 -22.310 1.00 58.31 ? 338 HOH B O 1 HETATM 2510 O O . HOH F 3 . ? 5.675 2.509 17.126 1.00 60.65 ? 339 HOH B O 1 HETATM 2511 O O . HOH F 3 . ? -6.206 14.377 -17.780 1.00 72.39 ? 340 HOH B O 1 HETATM 2512 O O . HOH F 3 . ? 18.420 4.589 -8.471 1.00 54.50 ? 341 HOH B O 1 HETATM 2513 O O . HOH F 3 . ? 12.679 -5.043 14.007 1.00 53.44 ? 342 HOH B O 1 HETATM 2514 O O . HOH F 3 . ? 14.598 12.057 11.147 1.00 59.02 ? 343 HOH B O 1 HETATM 2515 O O . HOH F 3 . ? 5.855 16.549 4.194 1.00 58.74 ? 344 HOH B O 1 HETATM 2516 O O . HOH F 3 . ? 6.709 17.262 1.821 1.00 53.91 ? 345 HOH B O 1 HETATM 2517 O O . HOH F 3 . ? 10.319 9.815 9.787 1.00 58.38 ? 346 HOH B O 1 HETATM 2518 O O . HOH F 3 . ? 1.349 -0.755 4.669 1.00 62.25 ? 347 HOH B O 1 HETATM 2519 O O . HOH F 3 . ? 4.712 20.611 1.596 1.00 53.22 ? 348 HOH B O 1 HETATM 2520 O O . HOH F 3 . ? 6.354 -3.690 -13.858 1.00 58.27 ? 349 HOH B O 1 HETATM 2521 O O . HOH F 3 . ? 20.624 2.881 11.814 1.00 58.12 ? 350 HOH B O 1 HETATM 2522 O O . HOH F 3 . ? 24.758 2.797 7.193 1.00 71.29 ? 351 HOH B O 1 HETATM 2523 O O . HOH F 3 . ? 0.901 -0.969 -17.306 1.00 48.36 ? 352 HOH B O 1 HETATM 2524 O O . HOH F 3 . ? 7.303 9.337 7.057 1.00 68.05 ? 353 HOH B O 1 HETATM 2525 O O . HOH F 3 . ? 1.525 21.316 -6.946 1.00 49.39 ? 354 HOH B O 1 HETATM 2526 O O . HOH F 3 . ? -6.568 14.944 -8.003 1.00 60.82 ? 355 HOH B O 1 HETATM 2527 O O . HOH F 3 . ? 1.729 15.352 6.147 1.00 59.31 ? 356 HOH B O 1 HETATM 2528 O O . HOH F 3 . ? 1.217 1.410 -21.773 1.00 58.00 ? 357 HOH B O 1 HETATM 2529 O O . HOH F 3 . ? -5.275 9.883 -21.005 1.00 66.09 ? 358 HOH B O 1 HETATM 2530 O O . HOH F 3 . ? 6.825 9.011 11.911 1.00 68.26 ? 359 HOH B O 1 HETATM 2531 O O . HOH F 3 . ? 9.231 21.884 0.538 1.00 74.21 ? 360 HOH B O 1 HETATM 2532 O O . HOH F 3 . ? -0.826 -1.454 -13.554 1.00 54.66 ? 361 HOH B O 1 HETATM 2533 O O . HOH F 3 . ? -2.460 17.283 -5.833 1.00 51.32 ? 362 HOH B O 1 HETATM 2534 O O . HOH F 3 . ? 16.942 7.038 -10.737 1.00 62.19 ? 363 HOH B O 1 HETATM 2535 O O . HOH F 3 . ? -4.494 3.953 -3.984 1.00 50.04 ? 364 HOH B O 1 HETATM 2536 O O . HOH F 3 . ? 16.160 12.899 -8.943 1.00 53.15 ? 365 HOH B O 1 HETATM 2537 O O . HOH F 3 . ? -6.121 8.958 -23.425 1.00 56.27 ? 366 HOH B O 1 HETATM 2538 O O . HOH F 3 . ? -1.812 9.049 -25.975 1.00 56.04 ? 367 HOH B O 1 HETATM 2539 O O . HOH F 3 . ? -8.447 11.361 -23.920 1.00 52.67 ? 368 HOH B O 1 HETATM 2540 O O . HOH F 3 . ? 24.932 1.200 4.589 1.00 62.01 ? 369 HOH B O 1 HETATM 2541 O O . HOH F 3 . ? 16.803 9.091 -13.779 1.00 59.86 ? 370 HOH B O 1 HETATM 2542 O O . HOH F 3 . ? 2.151 7.323 -26.780 1.00 51.88 ? 371 HOH B O 1 HETATM 2543 O O . HOH F 3 . ? -4.226 17.772 -15.035 1.00 55.83 ? 372 HOH B O 1 HETATM 2544 O O . HOH F 3 . ? 7.048 -3.766 -8.507 1.00 54.16 ? 373 HOH B O 1 HETATM 2545 O O . HOH F 3 . ? 8.469 22.349 -10.577 1.00 57.54 ? 374 HOH B O 1 HETATM 2546 O O . HOH F 3 . ? 1.264 14.801 8.753 1.00 61.81 ? 375 HOH B O 1 HETATM 2547 O O . HOH F 3 . ? 17.898 5.985 -15.043 1.00 72.68 ? 376 HOH B O 1 HETATM 2548 O O . HOH F 3 . ? 4.147 -6.270 -5.206 1.00 61.97 ? 377 HOH B O 1 HETATM 2549 O O . HOH F 3 . ? 11.453 -7.668 10.842 1.00 64.59 ? 378 HOH B O 1 HETATM 2550 O O . HOH F 3 . ? 3.950 -1.562 -19.703 1.00 73.88 ? 379 HOH B O 1 HETATM 2551 O O . HOH F 3 . ? 19.185 -7.031 15.002 1.00 53.81 ? 380 HOH B O 1 HETATM 2552 O O . HOH F 3 . ? -6.945 9.066 -18.945 1.00 64.92 ? 381 HOH B O 1 HETATM 2553 O O . HOH F 3 . ? 16.439 -9.100 -3.037 1.00 53.29 ? 382 HOH B 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 . ALA A 3 ? 0.7623 0.6891 1.4141 -0.0640 -0.2692 0.0296 102 ALA A N 2 C CA . ALA A 3 ? 0.7853 0.7079 1.5245 -0.0690 -0.3017 0.0286 102 ALA A CA 3 C C . ALA A 3 ? 0.7186 0.6959 1.4499 -0.0640 -0.2141 0.0107 102 ALA A C 4 O O . ALA A 3 ? 0.7345 0.6914 1.3862 -0.0729 -0.2212 0.0194 102 ALA A O 5 C CB . ALA A 3 ? 0.7927 0.7269 1.7728 -0.0616 -0.3518 0.0169 102 ALA A CB 6 N N . THR A 4 ? 0.6354 0.6728 1.4434 -0.0579 -0.1337 -0.0150 103 THR A N 7 C CA . THR A 4 ? 0.5710 0.6393 1.3121 -0.0668 -0.0562 -0.0196 103 THR A CA 8 C C . THR A 4 ? 0.5331 0.5932 1.1174 -0.0655 -0.0284 -0.0078 103 THR A C 9 O O . THR A 4 ? 0.4646 0.5297 0.9700 -0.0749 0.0084 0.0007 103 THR A O 10 C CB . THR A 4 ? 0.5556 0.6728 1.4194 -0.0815 0.0203 -0.0536 103 THR A CB 11 O OG1 . THR A 4 ? 0.5622 0.6895 1.5982 -0.0825 -0.0020 -0.0690 103 THR A OG1 12 C CG2 . THR A 4 ? 0.5951 0.7203 1.3489 -0.1064 0.0849 -0.0456 103 THR A CG2 13 N N . CYS A 5 ? 0.5384 0.5801 1.0922 -0.0563 -0.0557 -0.0046 104 CYS A N 14 C CA . CYS A 5 ? 0.5433 0.5738 0.9683 -0.0542 -0.0364 0.0046 104 CYS A CA 15 C C . CYS A 5 ? 0.5952 0.5728 0.9177 -0.0590 -0.0832 0.0194 104 CYS A C 16 O O . CYS A 5 ? 0.6571 0.5952 0.9710 -0.0655 -0.1375 0.0280 104 CYS A O 17 C CB . CYS A 5 ? 0.5283 0.5754 0.9805 -0.0477 -0.0169 -0.0080 104 CYS A CB 18 S SG . CYS A 5 ? 0.6065 0.6391 0.9210 -0.0445 0.0012 0.0029 104 CYS A SG 19 N N . ALA A 6 ? 0.5659 0.5344 0.8148 -0.0645 -0.0630 0.0199 105 ALA A N 20 C CA . ALA A 6 ? 0.6107 0.5282 0.7597 -0.0808 -0.0797 0.0160 105 ALA A CA 21 C C . ALA A 6 ? 0.6093 0.5136 0.6888 -0.0824 -0.0608 0.0133 105 ALA A C 22 O O . ALA A 6 ? 0.6691 0.5201 0.6612 -0.1068 -0.0797 0.0115 105 ALA A O 23 C CB . ALA A 6 ? 0.5935 0.5103 0.7332 -0.0865 -0.0565 0.0035 105 ALA A CB 24 N N . VAL A 7 ? 0.5262 0.4700 0.6336 -0.0648 -0.0253 0.0140 106 VAL A N 25 C CA . VAL A 7 ? 0.5088 0.4459 0.5695 -0.0630 -0.0049 0.0100 106 VAL A CA 26 C C . VAL A 7 ? 0.4822 0.4547 0.5826 -0.0472 0.0070 0.0161 106 VAL A C 27 O O . VAL A 7 ? 0.4473 0.4476 0.5765 -0.0448 0.0283 0.0183 106 VAL A O 28 C CB . VAL A 7 ? 0.5128 0.4512 0.5721 -0.0641 0.0265 -0.0031 106 VAL A CB 29 C CG1 . VAL A 7 ? 0.5273 0.4602 0.5637 -0.0619 0.0474 -0.0105 106 VAL A CG1 30 C CG2 . VAL A 7 ? 0.4919 0.3983 0.5306 -0.0847 0.0314 -0.0257 106 VAL A CG2 31 N N . GLU A 8 ? 0.4909 0.4529 0.5868 -0.0451 -0.0099 0.0182 107 GLU A N 32 C CA . GLU A 8 ? 0.4941 0.4856 0.6337 -0.0331 0.0055 0.0133 107 GLU A CA 33 C C . GLU A 8 ? 0.4912 0.4808 0.5805 -0.0292 0.0279 0.0124 107 GLU A C 34 O O . GLU A 8 ? 0.5118 0.4720 0.5477 -0.0360 0.0263 0.0134 107 GLU A O 35 C CB . GLU A 8 ? 0.5364 0.5134 0.7252 -0.0315 -0.0352 0.0161 107 GLU A CB 36 C CG . GLU A 8 ? 0.6429 0.6146 0.9200 -0.0347 -0.0772 0.0180 107 GLU A CG 37 C CD . GLU A 8 ? 0.6747 0.6173 1.0179 -0.0363 -0.1402 0.0284 107 GLU A CD 38 O OE1 . GLU A 8 ? 0.6726 0.6403 1.0827 -0.0239 -0.1241 0.0141 107 GLU A OE1 39 O OE2 . GLU A 8 ? 0.8283 0.7138 1.1520 -0.0555 -0.2129 0.0528 107 GLU A OE2 40 N N . VAL A 9 ? 0.4243 0.4389 0.5304 -0.0254 0.0519 0.0056 108 VAL A N 41 C CA . VAL A 9 ? 0.4534 0.4624 0.5255 -0.0213 0.0611 0.0059 108 VAL A CA 42 C C . VAL A 9 ? 0.4235 0.4424 0.5303 -0.0140 0.0598 -0.0050 108 VAL A C 43 O O . VAL A 9 ? 0.4136 0.4563 0.5768 -0.0173 0.0763 -0.0235 108 VAL A O 44 C CB . VAL A 9 ? 0.4833 0.4953 0.5315 -0.0325 0.0747 0.0103 108 VAL A CB 45 C CG1 . VAL A 9 ? 0.4684 0.4675 0.4973 -0.0278 0.0698 0.0130 108 VAL A CG1 46 C CG2 . VAL A 9 ? 0.4914 0.4927 0.5373 -0.0410 0.0647 0.0238 108 VAL A CG2 47 N N . PHE A 10 ? 0.4017 0.4005 0.4876 -0.0089 0.0456 0.0010 109 PHE A N 48 C CA . PHE A 10 ? 0.4065 0.4088 0.5361 -0.0017 0.0342 -0.0054 109 PHE A CA 49 C C . PHE A 10 ? 0.4241 0.4348 0.5359 0.0033 0.0557 -0.0140 109 PHE A C 50 O O . PHE A 10 ? 0.4299 0.4337 0.4966 0.0006 0.0666 -0.0085 109 PHE A O 51 C CB . PHE A 10 ? 0.4482 0.4063 0.5484 -0.0110 -0.0065 0.0153 109 PHE A CB 52 C CG . PHE A 10 ? 0.4545 0.3860 0.5547 -0.0251 -0.0448 0.0288 109 PHE A CG 53 C CD1 . PHE A 10 ? 0.5176 0.4481 0.7191 -0.0224 -0.0911 0.0318 109 PHE A CD1 54 C CD2 . PHE A 10 ? 0.4871 0.3930 0.5078 -0.0425 -0.0376 0.0338 109 PHE A CD2 55 C CE1 . PHE A 10 ? 0.5856 0.4838 0.7977 -0.0374 -0.1415 0.0479 109 PHE A CE1 56 C CE2 . PHE A 10 ? 0.5560 0.4299 0.5664 -0.0602 -0.0784 0.0456 109 PHE A CE2 57 C CZ . PHE A 10 ? 0.5988 0.4667 0.7007 -0.0575 -0.1360 0.0567 109 PHE A CZ 58 N N . GLY A 11 ? 0.4091 0.4304 0.5735 0.0100 0.0541 -0.0282 110 GLY A N 59 C CA . GLY A 11 ? 0.4158 0.4388 0.5596 0.0130 0.0685 -0.0366 110 GLY A CA 60 C C . GLY A 11 ? 0.4248 0.4666 0.5683 -0.0009 0.1035 -0.0662 110 GLY A C 61 O O . GLY A 11 ? 0.4381 0.5012 0.6495 -0.0074 0.1259 -0.0972 110 GLY A O 62 N N . LEU A 12 ? 0.4580 0.4836 0.5275 -0.0142 0.1076 -0.0597 111 LEU A N 63 C CA . LEU A 12 ? 0.4907 0.5097 0.5082 -0.0487 0.1368 -0.0829 111 LEU A CA 64 C C . LEU A 12 ? 0.5574 0.5827 0.5638 -0.0720 0.1625 -0.0898 111 LEU A C 65 O O . LEU A 12 ? 0.5511 0.5739 0.5543 -0.0634 0.1419 -0.0618 111 LEU A O 66 C CB . LEU A 12 ? 0.5570 0.5365 0.4877 -0.0668 0.1090 -0.0599 111 LEU A CB 67 C CG . LEU A 12 ? 0.5509 0.5242 0.5069 -0.0453 0.0861 -0.0569 111 LEU A CG 68 C CD1 . LEU A 12 ? 0.5877 0.5179 0.4955 -0.0600 0.0412 -0.0287 111 LEU A CD1 69 C CD2 . LEU A 12 ? 0.5308 0.5156 0.5063 -0.0508 0.1137 -0.0970 111 LEU A CD2 70 N N . LEU A 13 ? 0.5984 0.6321 0.6092 -0.1052 0.2155 -0.1346 112 LEU A N 71 C CA . LEU A 13 ? 0.6962 0.7424 0.7274 -0.1298 0.2545 -0.1527 112 LEU A CA 72 C C . LEU A 13 ? 0.8207 0.8234 0.7067 -0.1903 0.2718 -0.1409 112 LEU A C 73 O O . LEU A 13 ? 0.8975 0.9052 0.7869 -0.2223 0.3151 -0.1594 112 LEU A O 74 C CB . LEU A 13 ? 0.7003 0.7829 0.8616 -0.1375 0.3151 -0.2207 112 LEU A CB 75 N N . GLU A 14 ? 0.8905 0.8433 0.6558 -0.2113 0.2316 -0.1078 113 GLU A N 76 C CA . GLU A 14 ? 1.0389 0.9256 0.6486 -0.2782 0.2168 -0.0786 113 GLU A CA 77 C C . GLU A 14 ? 1.0710 0.9052 0.6168 -0.2765 0.1308 -0.0248 113 GLU A C 78 O O . GLU A 14 ? 0.9972 0.8392 0.5803 -0.2453 0.1100 -0.0293 113 GLU A O 79 C CB . GLU A 14 ? 1.2051 1.0561 0.7001 -0.3619 0.2908 -0.1292 113 GLU A CB 80 N N . ASP A 15 ? 1.1594 0.9373 0.6279 -0.3123 0.0762 0.0257 114 ASP A N 81 C CA . ASP A 15 ? 1.2227 0.9433 0.6712 -0.3144 -0.0210 0.0787 114 ASP A CA 82 C C . ASP A 15 ? 1.3911 1.0312 0.6900 -0.3814 -0.0509 0.0848 114 ASP A C 83 O O . ASP A 15 ? 1.5573 1.1381 0.6890 -0.4672 -0.0221 0.0765 114 ASP A O 84 C CB . ASP A 15 ? 1.2527 0.9325 0.6979 -0.3332 -0.0845 0.1330 114 ASP A CB 85 N N . GLU A 16 ? 1.3111 0.9748 0.6862 0.0890 0.0471 -0.0515 115 GLU A N 86 C CA . GLU A 16 ? 1.4504 1.0168 0.7012 0.0877 0.0090 -0.0530 115 GLU A CA 87 C C . GLU A 16 ? 1.4195 0.9956 0.6948 0.0525 -0.0395 -0.0179 115 GLU A C 88 O O . GLU A 16 ? 1.3436 0.9782 0.7197 0.0453 -0.0403 0.0035 115 GLU A O 89 C CB . GLU A 16 ? 1.5672 1.0223 0.7215 0.1061 -0.0274 -0.0886 115 GLU A CB 90 C CG . GLU A 16 ? 1.6849 1.1263 0.7830 0.1911 0.0135 -0.1273 115 GLU A CG 91 C CD . GLU A 16 ? 1.7419 1.0937 0.8113 0.2243 -0.0121 -0.1466 115 GLU A CD 92 O OE1 . GLU A 16 ? 1.6369 1.0062 0.7983 0.1673 -0.0394 -0.1249 115 GLU A OE1 93 O OE2 . GLU A 16 ? 1.9357 1.1870 0.8663 0.3198 -0.0032 -0.1831 115 GLU A OE2 94 N N . GLU A 17 ? 1.5114 1.0500 0.6868 0.0420 -0.0814 -0.0146 116 GLU A N 95 C CA . GLU A 17 ? 1.4714 1.0866 0.6699 0.0284 -0.1370 0.0148 116 GLU A CA 96 C C . GLU A 17 ? 1.3513 1.0595 0.6609 -0.0093 -0.1706 0.0151 116 GLU A C 97 O O . GLU A 17 ? 1.2893 1.1081 0.6873 0.0147 -0.1782 0.0425 116 GLU A O 98 C CB . GLU A 17 ? 1.6006 1.1962 0.6717 0.0069 -0.1896 0.0072 116 GLU A CB 99 N N . ASN A 18 ? 1.3336 0.9738 0.6079 -0.0609 -0.1860 -0.0153 117 ASN A N 100 C CA . ASN A 18 ? 1.2372 0.9439 0.5757 -0.1247 -0.2166 -0.0139 117 ASN A CA 101 C C . ASN A 18 ? 1.1024 0.7987 0.5364 -0.0987 -0.1767 -0.0135 117 ASN A C 102 O O . ASN A 18 ? 1.1000 0.7812 0.5359 -0.1552 -0.1941 -0.0188 117 ASN A O 103 C CB . ASN A 18 ? 1.4158 0.9981 0.6006 -0.2221 -0.2617 -0.0427 117 ASN A CB 104 N N . SER A 19 ? 0.9692 0.6706 0.4618 -0.0307 -0.1250 -0.0072 118 SER A N 105 C CA . SER A 19 ? 0.8658 0.5834 0.4478 -0.0128 -0.0927 -0.0098 118 SER A CA 106 C C . SER A 19 ? 0.7514 0.5521 0.4287 0.0097 -0.0692 0.0160 118 SER A C 107 O O . SER A 19 ? 0.7704 0.5620 0.4147 0.0359 -0.0550 0.0341 118 SER A O 108 C CB . SER A 19 ? 0.8923 0.5508 0.4390 0.0322 -0.0539 -0.0378 118 SER A CB 109 O OG . SER A 19 ? 0.9159 0.6299 0.4911 0.0521 -0.0062 -0.0319 118 SER A OG 110 N N . ARG A 20 ? 0.6428 0.4851 0.3981 0.0021 -0.0658 0.0175 119 ARG A N 111 C CA . ARG A 20 ? 0.6012 0.4811 0.4127 0.0265 -0.0440 0.0341 119 ARG A CA 112 C C . ARG A 20 ? 0.5640 0.4365 0.4244 0.0170 -0.0190 0.0168 119 ARG A C 113 O O . ARG A 20 ? 0.5746 0.4335 0.4328 0.0078 -0.0300 -0.0008 119 ARG A O 114 C CB . ARG A 20 ? 0.5764 0.5681 0.4355 0.0324 -0.0733 0.0519 119 ARG A CB 115 C CG . ARG A 20 ? 0.6740 0.7602 0.5062 0.0564 -0.1087 0.0701 119 ARG A CG 116 C CD . ARG A 20 ? 0.8105 0.8262 0.5681 0.1389 -0.0921 0.0898 119 ARG A CD 117 N NE . ARG A 20 ? 0.8013 0.7937 0.5458 0.2134 -0.0703 0.1037 119 ARG A NE 118 C CZ . ARG A 20 ? 0.8269 0.9641 0.5946 0.2920 -0.0905 0.1180 119 ARG A CZ 119 N NH1 . ARG A 20 ? 0.7779 1.1531 0.6163 0.2809 -0.1344 0.1214 119 ARG A NH1 120 N NH2 . ARG A 20 ? 0.8569 0.9127 0.5620 0.3809 -0.0658 0.1261 119 ARG A NH2 121 N N . ILE A 21 ? 0.5632 0.4235 0.4358 0.0223 0.0106 0.0213 120 ILE A N 122 C CA . ILE A 21 ? 0.5069 0.3919 0.4281 0.0055 0.0264 0.0042 120 ILE A CA 123 C C . ILE A 21 ? 0.5013 0.4058 0.4563 0.0172 0.0155 0.0146 120 ILE A C 124 O O . ILE A 21 ? 0.5382 0.4144 0.4592 0.0472 0.0217 0.0303 120 ILE A O 125 C CB . ILE A 21 ? 0.5627 0.4286 0.4534 -0.0314 0.0669 -0.0055 120 ILE A CB 126 C CG1 . ILE A 21 ? 0.5743 0.4763 0.4399 -0.0449 0.0864 -0.0168 120 ILE A CG1 127 C CG2 . ILE A 21 ? 0.5052 0.4333 0.4480 -0.0569 0.0734 -0.0257 120 ILE A CG2 128 C CD1 . ILE A 21 ? 0.6495 0.5669 0.4702 -0.1181 0.1328 -0.0237 120 ILE A CD1 129 N N . VAL A 22 ? 0.4679 0.4097 0.4639 0.0069 0.0006 0.0064 121 VAL A N 130 C CA . VAL A 22 ? 0.4157 0.3957 0.4401 0.0105 -0.0029 0.0156 121 VAL A CA 131 C C . VAL A 22 ? 0.4172 0.3808 0.4505 0.0049 0.0140 -0.0009 121 VAL A C 132 O O . VAL A 22 ? 0.4172 0.3939 0.4608 -0.0042 0.0097 -0.0185 121 VAL A O 133 C CB . VAL A 22 ? 0.4105 0.4258 0.4380 -0.0233 -0.0300 0.0232 121 VAL A CB 134 C CG1 . VAL A 22 ? 0.5541 0.4872 0.5354 -0.0320 -0.0421 0.0082 121 VAL A CG1 135 C CG2 . VAL A 22 ? 0.3359 0.4265 0.3938 -0.0280 -0.0233 0.0337 121 VAL A CG2 136 N N . ARG A 23 ? 0.4579 0.4012 0.4714 0.0222 0.0297 0.0025 122 ARG A N 137 C CA . ARG A 23 ? 0.4352 0.3524 0.4342 0.0049 0.0411 -0.0155 122 ARG A CA 138 C C . ARG A 23 ? 0.3984 0.3734 0.4286 0.0142 0.0300 -0.0096 122 ARG A C 139 O O . ARG A 23 ? 0.4093 0.4247 0.4383 0.0451 0.0365 0.0053 122 ARG A O 140 C CB . ARG A 23 ? 0.5509 0.3471 0.4482 0.0212 0.0660 -0.0177 122 ARG A CB 141 C CG . ARG A 23 ? 0.6074 0.3555 0.4590 -0.0026 0.0746 -0.0392 122 ARG A CG 142 C CD . ARG A 23 ? 0.8602 0.4093 0.5420 0.0147 0.0991 -0.0454 122 ARG A CD 143 N NE . ARG A 23 ? 1.0876 0.5418 0.6881 -0.0905 0.1102 -0.0643 122 ARG A NE 144 C CZ . ARG A 23 ? 1.0165 0.3607 0.5264 -0.1215 0.1254 -0.0549 122 ARG A CZ 145 N NH1 . ARG A 23 ? 1.2446 0.5320 0.7180 -0.0326 0.1261 -0.0272 122 ARG A NH1 146 N NH2 . ARG A 23 ? 1.3013 0.5986 0.7381 -0.2498 0.1407 -0.0731 122 ARG A NH2 147 N N . VAL A 24 ? 0.3864 0.3800 0.4311 -0.0050 0.0146 -0.0202 123 VAL A N 148 C CA . VAL A 24 ? 0.3811 0.3916 0.4168 -0.0079 0.0052 -0.0103 123 VAL A CA 149 C C . VAL A 24 ? 0.4045 0.4055 0.4173 -0.0069 0.0121 -0.0286 123 VAL A C 150 O O . VAL A 24 ? 0.4377 0.4531 0.4500 -0.0155 -0.0013 -0.0493 123 VAL A O 151 C CB . VAL A 24 ? 0.4264 0.4003 0.4281 -0.0121 -0.0234 -0.0061 123 VAL A CB 152 C CG1 . VAL A 24 ? 0.4716 0.4110 0.4135 -0.0297 -0.0312 0.0092 123 VAL A CG1 153 C CG2 . VAL A 24 ? 0.4601 0.4047 0.4457 -0.0267 -0.0333 0.0054 123 VAL A CG2 154 N N . ARG A 25 ? 0.4062 0.4071 0.3939 0.0073 0.0318 -0.0240 124 ARG A N 155 C CA . ARG A 25 ? 0.4585 0.4279 0.3964 0.0049 0.0362 -0.0438 124 ARG A CA 156 C C . ARG A 25 ? 0.4513 0.4517 0.3759 -0.0007 0.0257 -0.0291 124 ARG A C 157 O O . ARG A 25 ? 0.4466 0.4941 0.3704 -0.0015 0.0424 -0.0062 124 ARG A O 158 C CB . ARG A 25 ? 0.5522 0.4573 0.4177 0.0427 0.0681 -0.0532 124 ARG A CB 159 C CG . ARG A 25 ? 0.7122 0.5038 0.5170 0.0443 0.0793 -0.0651 124 ARG A CG 160 C CD . ARG A 25 ? 0.9074 0.5464 0.5584 0.1009 0.1080 -0.0794 124 ARG A CD 161 N NE . ARG A 25 ? 1.1130 0.7175 0.6991 0.0885 0.1105 -0.1019 124 ARG A NE 162 C CZ . ARG A 25 ? 1.3655 0.7825 0.7707 0.1155 0.1302 -0.1276 124 ARG A CZ 163 N NH1 . ARG A 25 ? 1.6158 0.8297 0.8621 0.1641 0.1496 -0.1317 124 ARG A NH1 164 N NH2 . ARG A 25 ? 1.4473 0.8434 0.7929 0.0994 0.1292 -0.1496 124 ARG A NH2 165 N N . VAL A 26 ? 0.4125 0.4339 0.3727 0.0215 -0.0122 -0.0226 125 VAL A N 166 C CA . VAL A 26 ? 0.4054 0.4308 0.3606 0.0241 -0.0087 -0.0198 125 VAL A CA 167 C C . VAL A 26 ? 0.4273 0.4430 0.3633 0.0242 -0.0060 -0.0243 125 VAL A C 168 O O . VAL A 26 ? 0.4617 0.4754 0.3862 0.0216 -0.0131 -0.0280 125 VAL A O 169 C CB . VAL A 26 ? 0.4166 0.4479 0.3719 0.0234 -0.0158 -0.0178 125 VAL A CB 170 C CG1 . VAL A 26 ? 0.4552 0.4776 0.3931 0.0265 -0.0149 -0.0133 125 VAL A CG1 171 C CG2 . VAL A 26 ? 0.3794 0.4176 0.3518 0.0217 -0.0164 -0.0151 125 VAL A CG2 172 N N . ILE A 27 ? 0.4182 0.4286 0.3532 0.0265 0.0049 -0.0264 126 ILE A N 173 C CA . ILE A 27 ? 0.4294 0.4270 0.3462 0.0261 0.0099 -0.0327 126 ILE A CA 174 C C . ILE A 27 ? 0.4977 0.4818 0.3832 0.0228 0.0130 -0.0318 126 ILE A C 175 O O . ILE A 27 ? 0.5122 0.4862 0.3750 0.0204 0.0047 -0.0344 126 ILE A O 176 C CB . ILE A 27 ? 0.4238 0.4208 0.3577 0.0311 0.0216 -0.0394 126 ILE A CB 177 C CG1 . ILE A 27 ? 0.4333 0.4330 0.3881 0.0360 0.0112 -0.0397 126 ILE A CG1 178 C CG2 . ILE A 27 ? 0.4895 0.4706 0.4029 0.0303 0.0307 -0.0474 126 ILE A CG2 179 C CD1 . ILE A 27 ? 0.4518 0.4568 0.4369 0.0451 0.0148 -0.0463 126 ILE A CD1 180 N N . ALA A 28 ? 0.4843 0.4633 0.3641 0.0214 0.0241 -0.0288 127 ALA A N 181 C CA . ALA A 28 ? 0.5194 0.4716 0.3551 0.0164 0.0288 -0.0275 127 ALA A CA 182 C C . ALA A 28 ? 0.5414 0.4846 0.3686 0.0126 0.0392 -0.0221 127 ALA A C 183 O O . ALA A 28 ? 0.5204 0.4825 0.3823 0.0128 0.0481 -0.0224 127 ALA A O 184 C CB . ALA A 28 ? 0.5296 0.4658 0.3472 0.0125 0.0464 -0.0368 127 ALA A CB 185 N N . GLY A 29 ? 0.5816 0.4917 0.3591 0.0087 0.0357 -0.0172 128 GLY A N 186 C CA . GLY A 29 ? 0.6308 0.5155 0.3805 0.0008 0.0509 -0.0131 128 GLY A CA 187 C C . GLY A 29 ? 0.7162 0.5670 0.4218 -0.0106 0.0746 -0.0198 128 GLY A C 188 O O . GLY A 29 ? 0.7611 0.5913 0.4320 -0.0109 0.0672 -0.0222 128 GLY A O 189 N N . ILE A 30 ? 0.7616 0.6044 0.4670 -0.0220 0.1045 -0.0246 129 ILE A N 190 C CA . ILE A 30 ? 0.8224 0.6371 0.4949 -0.0359 0.1359 -0.0357 129 ILE A CA 191 C C . ILE A 30 ? 0.9072 0.6721 0.5205 -0.0531 0.1567 -0.0326 129 ILE A C 192 O O . ILE A 30 ? 0.8887 0.6654 0.5279 -0.0600 0.1730 -0.0340 129 ILE A O 193 C CB . ILE A 30 ? 0.8196 0.6762 0.5602 -0.0359 0.1610 -0.0526 129 ILE A CB 194 C CG1 . ILE A 30 ? 0.7649 0.6581 0.5522 -0.0195 0.1396 -0.0547 129 ILE A CG1 195 C CG2 . ILE A 30 ? 0.8686 0.6992 0.5825 -0.0508 0.1982 -0.0682 129 ILE A CG2 196 C CD1 . ILE A 30 ? 0.7634 0.7018 0.6265 -0.0123 0.1457 -0.0646 129 ILE A CD1 197 N N . GLY A 31 ? 0.9694 0.6742 0.4987 -0.0613 0.1555 -0.0289 130 GLY A N 198 C CA . GLY A 31 ? 1.0572 0.6957 0.5077 -0.0805 0.1757 -0.0253 130 GLY A CA 199 C C . GLY A 31 ? 1.0510 0.6724 0.4842 -0.0757 0.1538 -0.0095 130 GLY A C 200 O O . GLY A 31 ? 1.0582 0.6604 0.4789 -0.0904 0.1783 -0.0099 130 GLY A O 201 N N . LEU A 32 ? 1.0342 0.6643 0.4714 -0.0557 0.1089 0.0021 131 LEU A N 202 C CA . LEU A 32 ? 1.0438 0.6579 0.4682 -0.0468 0.0832 0.0159 131 LEU A CA 203 C C . LEU A 32 ? 1.1833 0.7055 0.4987 -0.0573 0.0804 0.0254 131 LEU A C 204 O O . LEU A 32 ? 1.2312 0.7010 0.4750 -0.0673 0.0856 0.0234 131 LEU A O 205 C CB . LEU A 32 ? 1.0015 0.6498 0.4627 -0.0230 0.0380 0.0209 131 LEU A CB 206 C CG . LEU A 32 ? 0.9247 0.6499 0.4823 -0.0110 0.0321 0.0171 131 LEU A CG 207 C CD1 . LEU A 32 ? 0.9586 0.7261 0.5690 -0.0190 0.0633 0.0057 131 LEU A CD1 208 C CD2 . LEU A 32 ? 0.8788 0.6285 0.4594 0.0058 -0.0042 0.0167 131 LEU A CD2 209 N N . ALA A 33 ? 1.2126 0.7096 0.5100 -0.0553 0.0714 0.0357 132 ALA A N 210 C CA . ALA A 33 ? 1.3489 0.7495 0.5367 -0.0640 0.0652 0.0466 132 ALA A CA 211 C C . ALA A 33 ? 1.4057 0.7658 0.5413 -0.0439 0.0118 0.0557 132 ALA A C 212 O O . ALA A 33 ? 1.3167 0.7273 0.5135 -0.0195 -0.0259 0.0564 132 ALA A O 213 C CB . ALA A 33 ? 1.3634 0.7498 0.5522 -0.0667 0.0706 0.0541 132 ALA A CB 214 N N . SER A 41 ? 1.4416 0.8485 0.6243 0.0733 -0.2765 0.0390 140 SER A N 215 C CA . SER A 41 ? 1.3254 0.8015 0.5920 0.0678 -0.2349 0.0377 140 SER A CA 216 C C . SER A 41 ? 1.1886 0.7611 0.5636 0.0722 -0.2309 0.0233 140 SER A C 217 O O . SER A 41 ? 1.1513 0.7433 0.5325 0.0603 -0.2136 0.0161 140 SER A O 218 C CB . SER A 41 ? 1.3603 0.8109 0.5853 0.0415 -0.1786 0.0430 140 SER A CB 219 O OG . SER A 41 ? 1.3541 0.8445 0.6358 0.0390 -0.1495 0.0455 140 SER A OG 220 N N . ASP A 42 ? 1.0968 0.7235 0.5520 0.0876 -0.2440 0.0188 141 ASP A N 221 C CA . ASP A 42 ? 0.9976 0.7058 0.5486 0.0922 -0.2467 0.0036 141 ASP A CA 222 C C . ASP A 42 ? 0.9185 0.6804 0.5398 0.0896 -0.2157 0.0035 141 ASP A C 223 O O . ASP A 42 ? 0.8685 0.6580 0.5408 0.1033 -0.2306 -0.0006 141 ASP A O 224 C CB . ASP A 42 ? 1.0128 0.7367 0.5986 0.1136 -0.2980 -0.0082 141 ASP A CB 225 C CG . ASP A 42 ? 1.1374 0.7914 0.6406 0.1210 -0.3399 -0.0052 141 ASP A CG 226 O OD1 . ASP A 42 ? 1.1313 0.7683 0.5958 0.1100 -0.3405 -0.0085 141 ASP A OD1 227 O OD2 . ASP A 42 ? 1.2126 0.8236 0.6855 0.1385 -0.3739 0.0003 141 ASP A OD2 228 N N . PRO A 43 ? 0.8727 0.6478 0.4971 0.0725 -0.1739 0.0065 142 PRO A N 229 C CA . PRO A 43 ? 0.7774 0.5900 0.4521 0.0679 -0.1447 0.0085 142 PRO A CA 230 C C . PRO A 43 ? 0.7032 0.5821 0.4597 0.0700 -0.1416 -0.0029 142 PRO A C 231 O O . PRO A 43 ? 0.6664 0.5698 0.4436 0.0666 -0.1445 -0.0129 142 PRO A O 232 C CB . PRO A 43 ? 0.8040 0.6032 0.4507 0.0501 -0.1065 0.0126 142 PRO A CB 233 C CG . PRO A 43 ? 0.9035 0.6500 0.4756 0.0441 -0.1126 0.0136 142 PRO A CG 234 C CD . PRO A 43 ? 0.9203 0.6717 0.4984 0.0571 -0.1535 0.0068 142 PRO A CD 235 N N . TYR A 44 ? 0.6292 0.5312 0.4255 0.0728 -0.1329 -0.0016 143 TYR A N 236 C CA . TYR A 44 ? 0.5642 0.5182 0.4248 0.0690 -0.1197 -0.0104 143 TYR A CA 237 C C . TYR A 44 ? 0.5510 0.5068 0.4186 0.0629 -0.0952 -0.0023 143 TYR A C 238 O O . TYR A 44 ? 0.5845 0.5067 0.4157 0.0624 -0.0901 0.0080 143 TYR A O 239 C CB . TYR A 44 ? 0.5485 0.5321 0.4592 0.0802 -0.1411 -0.0230 143 TYR A CB 240 C CG . TYR A 44 ? 0.6076 0.5766 0.5207 0.0938 -0.1552 -0.0196 143 TYR A CG 241 C CD1 . TYR A 44 ? 0.6474 0.5840 0.5325 0.1095 -0.1885 -0.0188 143 TYR A CD1 242 C CD2 . TYR A 44 ? 0.5637 0.5467 0.5041 0.0917 -0.1377 -0.0178 143 TYR A CD2 243 C CE1 . TYR A 44 ? 0.6562 0.5740 0.5422 0.1243 -0.2037 -0.0160 143 TYR A CE1 244 C CE2 . TYR A 44 ? 0.5811 0.5485 0.5240 0.1046 -0.1498 -0.0157 143 TYR A CE2 245 C CZ . TYR A 44 ? 0.6343 0.5689 0.5507 0.1215 -0.1825 -0.0147 143 TYR A CZ 246 O OH . TYR A 44 ? 0.6776 0.5913 0.5940 0.1361 -0.1962 -0.0128 143 TYR A OH 247 N N . VAL A 45 ? 0.4822 0.4719 0.3912 0.0566 -0.0802 -0.0073 144 VAL A N 248 C CA . VAL A 45 ? 0.4646 0.4573 0.3828 0.0510 -0.0613 -0.0012 144 VAL A CA 249 C C . VAL A 45 ? 0.4560 0.4733 0.4155 0.0534 -0.0635 -0.0079 144 VAL A C 250 O O . VAL A 45 ? 0.4736 0.5148 0.4614 0.0514 -0.0657 -0.0188 144 VAL A O 251 C CB . VAL A 45 ? 0.4601 0.4620 0.3819 0.0406 -0.0414 -0.0008 144 VAL A CB 252 C CG1 . VAL A 45 ? 0.4499 0.4542 0.3828 0.0357 -0.0269 0.0042 144 VAL A CG1 253 C CG2 . VAL A 45 ? 0.5337 0.5145 0.4202 0.0373 -0.0357 0.0012 144 VAL A CG2 254 N N . ARG A 46 ? 0.4643 0.4729 0.4249 0.0557 -0.0605 -0.0028 145 ARG A N 255 C CA . ARG A 46 ? 0.4279 0.4558 0.4236 0.0550 -0.0565 -0.0096 145 ARG A CA 256 C C . ARG A 46 ? 0.4058 0.4355 0.4013 0.0433 -0.0379 -0.0045 145 ARG A C 257 O O . ARG A 46 ? 0.4602 0.4737 0.4363 0.0405 -0.0311 0.0045 145 ARG A O 258 C CB . ARG A 46 ? 0.4664 0.4798 0.4623 0.0661 -0.0667 -0.0084 145 ARG A CB 259 C CG . ARG A 46 ? 0.4449 0.4740 0.4743 0.0645 -0.0587 -0.0164 145 ARG A CG 260 C CD . ARG A 46 ? 0.5084 0.5197 0.5377 0.0779 -0.0700 -0.0160 145 ARG A CD 261 N NE . ARG A 46 ? 0.6567 0.6725 0.7022 0.0944 -0.0944 -0.0257 145 ARG A NE 262 N N . VAL A 47 ? 0.3785 0.4247 0.3936 0.0355 -0.0306 -0.0115 146 VAL A N 263 C CA . VAL A 47 ? 0.3643 0.4083 0.3764 0.0258 -0.0196 -0.0076 146 VAL A CA 264 C C . VAL A 47 ? 0.3898 0.4338 0.4133 0.0214 -0.0145 -0.0116 146 VAL A C 265 O O . VAL A 47 ? 0.3980 0.4503 0.4355 0.0177 -0.0116 -0.0220 146 VAL A O 266 C CB . VAL A 47 ? 0.3742 0.4233 0.3855 0.0196 -0.0173 -0.0117 146 VAL A CB 267 C CG1 . VAL A 47 ? 0.3837 0.4253 0.3896 0.0134 -0.0129 -0.0077 146 VAL A CG1 268 C CG2 . VAL A 47 ? 0.4060 0.4546 0.4059 0.0241 -0.0216 -0.0106 146 VAL A CG2 269 N N . THR A 48 ? 0.3886 0.4221 0.4060 0.0201 -0.0113 -0.0051 147 THR A N 270 C CA . THR A 48 ? 0.3786 0.4069 0.4020 0.0161 -0.0061 -0.0087 147 THR A CA 271 C C . THR A 48 ? 0.3737 0.3939 0.3875 0.0047 -0.0018 -0.0063 147 THR A C 272 O O . THR A 48 ? 0.4049 0.4229 0.4135 0.0034 -0.0039 0.0002 147 THR A O 273 C CB . THR A 48 ? 0.3977 0.4134 0.4167 0.0228 -0.0077 -0.0037 147 THR A CB 274 O OG1 . THR A 48 ? 0.4233 0.4395 0.4477 0.0359 -0.0176 -0.0065 147 THR A OG1 275 C CG2 . THR A 48 ? 0.4272 0.4347 0.4501 0.0173 -0.0005 -0.0077 147 THR A CG2 276 N N . LEU A 49 ? 0.3662 0.3803 0.3774 -0.0042 0.0039 -0.0136 148 LEU A N 277 C CA . LEU A 49 ? 0.3577 0.3541 0.3504 -0.0152 0.0039 -0.0120 148 LEU A CA 278 C C . LEU A 49 ? 0.3828 0.3673 0.3720 -0.0195 0.0091 -0.0129 148 LEU A C 279 O O . LEU A 49 ? 0.3797 0.3632 0.3759 -0.0205 0.0187 -0.0212 148 LEU A O 280 C CB . LEU A 49 ? 0.3819 0.3651 0.3590 -0.0263 0.0099 -0.0201 148 LEU A CB 281 C CG . LEU A 49 ? 0.4376 0.3890 0.3816 -0.0390 0.0076 -0.0190 148 LEU A CG 282 C CD1 . LEU A 49 ? 0.4166 0.3635 0.3540 -0.0338 -0.0109 -0.0100 148 LEU A CD1 283 C CD2 . LEU A 49 ? 0.4693 0.3973 0.3875 -0.0538 0.0190 -0.0284 148 LEU A CD2 284 N N . TYR A 50 ? 0.3802 0.3564 0.3619 -0.0225 0.0032 -0.0066 149 TYR A N 285 C CA . TYR A 50 ? 0.3940 0.3563 0.3696 -0.0279 0.0077 -0.0073 149 TYR A CA 286 C C . TYR A 50 ? 0.4397 0.3840 0.3971 -0.0386 -0.0005 -0.0056 149 TYR A C 287 O O . TYR A 50 ? 0.4270 0.3727 0.3825 -0.0386 -0.0131 -0.0031 149 TYR A O 288 C CB . TYR A 50 ? 0.3860 0.3556 0.3743 -0.0194 0.0090 -0.0025 149 TYR A CB 289 C CG . TYR A 50 ? 0.3860 0.3622 0.3789 -0.0200 0.0036 0.0041 149 TYR A CG 290 C CD1 . TYR A 50 ? 0.3546 0.3455 0.3561 -0.0131 0.0020 0.0071 149 TYR A CD1 291 C CD2 . TYR A 50 ? 0.4132 0.3812 0.4037 -0.0290 0.0023 0.0047 149 TYR A CD2 292 C CE1 . TYR A 50 ? 0.3834 0.3813 0.3932 -0.0159 0.0027 0.0093 149 TYR A CE1 293 C CE2 . TYR A 50 ? 0.4501 0.4289 0.4538 -0.0316 0.0009 0.0063 149 TYR A CE2 294 C CZ . TYR A 50 ? 0.4220 0.4159 0.4362 -0.0256 0.0028 0.0078 149 TYR A CZ 295 O OH . TYR A 50 ? 0.4185 0.4237 0.4493 -0.0308 0.0067 0.0057 149 TYR A OH 296 N N . ASP A 51 ? 0.3819 0.4265 0.3856 -0.0121 -0.0114 -0.0219 150 ASP A N 297 C CA . ASP A 51 ? 0.4215 0.4778 0.4209 -0.0094 -0.0260 -0.0352 150 ASP A CA 298 C C . ASP A 51 ? 0.4005 0.4649 0.4325 -0.0249 -0.0283 -0.0464 150 ASP A C 299 O O . ASP A 51 ? 0.4048 0.4469 0.4384 -0.0314 -0.0222 -0.0478 150 ASP A O 300 C CB . ASP A 51 ? 0.5193 0.5563 0.4794 -0.0045 -0.0259 -0.0421 150 ASP A CB 301 C CG . ASP A 51 ? 0.5573 0.6020 0.5088 -0.0011 -0.0445 -0.0594 150 ASP A CG 302 O OD1 . ASP A 51 ? 0.6262 0.6852 0.5754 0.0095 -0.0622 -0.0620 150 ASP A OD1 303 O OD2 . ASP A 51 ? 0.6761 0.7142 0.6256 -0.0063 -0.0443 -0.0738 150 ASP A OD2 304 N N . PRO A 52 ? 0.4007 0.4951 0.4593 -0.0311 -0.0373 -0.0568 151 PRO A N 305 C CA . PRO A 52 ? 0.4184 0.5165 0.5063 -0.0544 -0.0361 -0.0687 151 PRO A CA 306 C C . PRO A 52 ? 0.4349 0.5038 0.5103 -0.0587 -0.0417 -0.0811 151 PRO A C 307 O O . PRO A 52 ? 0.4830 0.5229 0.5648 -0.0754 -0.0360 -0.0814 151 PRO A O 308 C CB . PRO A 52 ? 0.4167 0.5660 0.5379 -0.0568 -0.0488 -0.0882 151 PRO A CB 309 C CG . PRO A 52 ? 0.4344 0.6038 0.5522 -0.0366 -0.0493 -0.0785 151 PRO A CG 310 C CD . PRO A 52 ? 0.4010 0.5289 0.4674 -0.0173 -0.0498 -0.0620 151 PRO A CD 311 N N . MET A 53 ? 0.4267 0.4957 0.4763 -0.0428 -0.0533 -0.0916 152 MET A N 312 C CA . MET A 53 ? 0.5173 0.5642 0.5542 -0.0448 -0.0592 -0.1093 152 MET A CA 313 C C . MET A 53 ? 0.5441 0.5581 0.5623 -0.0372 -0.0459 -0.1038 152 MET A C 314 O O . MET A 53 ? 0.6255 0.6144 0.6447 -0.0399 -0.0483 -0.1181 152 MET A O 315 C CB . MET A 53 ? 0.5686 0.6280 0.5772 -0.0308 -0.0770 -0.1256 152 MET A CB 316 C CG . MET A 53 ? 0.6021 0.7018 0.6372 -0.0322 -0.0980 -0.1399 152 MET A CG 317 S SD . MET A 53 ? 0.7264 0.8386 0.8135 -0.0632 -0.1041 -0.1658 152 MET A SD 318 C CE . MET A 53 ? 0.6868 0.8638 0.8040 -0.0547 -0.1348 -0.1929 152 MET A CE 319 N N . ASN A 54 ? 0.4970 0.5130 0.5023 -0.0269 -0.0336 -0.0874 153 ASN A N 320 C CA . ASN A 54 ? 0.5294 0.5311 0.5268 -0.0184 -0.0210 -0.0893 153 ASN A CA 321 C C . ASN A 54 ? 0.5217 0.5160 0.5368 -0.0166 -0.0135 -0.0745 153 ASN A C 322 O O . ASN A 54 ? 0.5529 0.5433 0.5727 -0.0070 -0.0075 -0.0823 153 ASN A O 323 C CB . ASN A 54 ? 0.5386 0.5488 0.5009 -0.0111 -0.0103 -0.0905 153 ASN A CB 324 C CG . ASN A 54 ? 0.6476 0.6548 0.5763 -0.0086 -0.0182 -0.1086 153 ASN A CG 325 O OD1 . ASN A 54 ? 0.7646 0.7711 0.6559 -0.0051 -0.0243 -0.1035 153 ASN A OD1 326 N ND2 . ASN A 54 ? 0.7160 0.7148 0.6520 -0.0075 -0.0216 -0.1314 153 ASN A ND2 327 N N . GLY A 55 ? 0.4690 0.4657 0.4951 -0.0243 -0.0145 -0.0572 154 GLY A N 328 C CA . GLY A 55 ? 0.4512 0.4360 0.4843 -0.0215 -0.0104 -0.0435 154 GLY A CA 329 C C . GLY A 55 ? 0.4360 0.4391 0.4647 -0.0137 -0.0010 -0.0351 154 GLY A C 330 O O . GLY A 55 ? 0.4094 0.4272 0.4244 -0.0141 0.0028 -0.0312 154 GLY A O 331 N N . VAL A 56 ? 0.4205 0.4175 0.4578 -0.0059 0.0000 -0.0340 155 VAL A N 332 C CA . VAL A 56 ? 0.3994 0.4112 0.4372 -0.0038 0.0075 -0.0259 155 VAL A CA 333 C C . VAL A 56 ? 0.4144 0.4443 0.4471 -0.0055 0.0212 -0.0371 155 VAL A C 334 O O . VAL A 56 ? 0.3988 0.4376 0.4418 -0.0017 0.0257 -0.0566 155 VAL A O 335 C CB . VAL A 56 ? 0.4110 0.4139 0.4613 0.0061 0.0000 -0.0257 155 VAL A CB 336 C CG1 . VAL A 56 ? 0.3884 0.4102 0.4441 0.0061 0.0069 -0.0235 155 VAL A CG1 337 C CG2 . VAL A 56 ? 0.4634 0.4349 0.5001 0.0030 -0.0093 -0.0101 155 VAL A CG2 338 N N . LEU A 57 ? 0.3783 0.4095 0.3915 -0.0119 0.0292 -0.0261 156 LEU A N 339 C CA . LEU A 57 ? 0.4021 0.4374 0.3977 -0.0211 0.0472 -0.0327 156 LEU A CA 340 C C . LEU A 57 ? 0.3827 0.4333 0.4045 -0.0247 0.0547 -0.0382 156 LEU A C 341 O O . LEU A 57 ? 0.3982 0.4724 0.4401 -0.0303 0.0687 -0.0585 156 LEU A O 342 C CB . LEU A 57 ? 0.4412 0.4528 0.3913 -0.0255 0.0480 -0.0166 156 LEU A CB 343 C CG . LEU A 57 ? 0.6089 0.6018 0.5096 -0.0353 0.0621 -0.0192 156 LEU A CG 344 C CD1 . LEU A 57 ? 0.6278 0.5803 0.4743 -0.0376 0.0607 -0.0012 156 LEU A CD1 345 C CD2 . LEU A 57 ? 0.6788 0.6911 0.5904 -0.0504 0.0885 -0.0384 156 LEU A CD2 346 N N . THR A 58 ? 0.3965 0.4393 0.4217 -0.0213 0.0455 -0.0244 157 THR A N 347 C CA . THR A 58 ? 0.3917 0.4486 0.4417 -0.0234 0.0471 -0.0315 157 THR A CA 348 C C . THR A 58 ? 0.4059 0.4510 0.4549 -0.0140 0.0317 -0.0176 157 THR A C 349 O O . THR A 58 ? 0.4043 0.4340 0.4342 -0.0099 0.0256 -0.0026 157 THR A O 350 C CB . THR A 58 ? 0.4529 0.5085 0.4889 -0.0447 0.0686 -0.0351 157 THR A CB 351 O OG1 . THR A 58 ? 0.4643 0.5511 0.5420 -0.0506 0.0727 -0.0552 157 THR A OG1 352 C CG2 . THR A 58 ? 0.4610 0.4779 0.4547 -0.0479 0.0661 -0.0129 157 THR A CG2 353 N N . SER A 59 ? 0.3843 0.4410 0.4548 -0.0110 0.0259 -0.0265 158 SER A N 354 C CA . SER A 59 ? 0.3602 0.4027 0.4195 -0.0034 0.0136 -0.0147 158 SER A CA 355 C C . SER A 59 ? 0.3585 0.4119 0.4322 -0.0105 0.0149 -0.0266 158 SER A C 356 O O . SER A 59 ? 0.3663 0.4477 0.4719 -0.0189 0.0217 -0.0483 158 SER A O 357 C CB . SER A 59 ? 0.3918 0.4255 0.4524 0.0130 -0.0050 -0.0131 158 SER A CB 358 O OG . SER A 59 ? 0.4156 0.4665 0.5053 0.0241 -0.0177 -0.0339 158 SER A OG 359 N N . VAL A 60 ? 0.3629 0.3988 0.4171 -0.0082 0.0094 -0.0170 159 VAL A N 360 C CA . VAL A 60 ? 0.3672 0.4063 0.4306 -0.0159 0.0080 -0.0288 159 VAL A CA 361 C C . VAL A 60 ? 0.3960 0.4250 0.4452 0.0016 -0.0111 -0.0243 159 VAL A C 362 O O . VAL A 60 ? 0.4287 0.4398 0.4489 0.0100 -0.0114 -0.0071 159 VAL A O 363 C CB . VAL A 60 ? 0.3916 0.4007 0.4254 -0.0310 0.0219 -0.0195 159 VAL A CB 364 C CG1 . VAL A 60 ? 0.4305 0.4310 0.4676 -0.0411 0.0192 -0.0314 159 VAL A CG1 365 C CG2 . VAL A 60 ? 0.4347 0.4403 0.4630 -0.0507 0.0424 -0.0206 159 VAL A CG2 366 N N . GLN A 61 ? 0.4084 0.4512 0.4764 0.0058 -0.0259 -0.0424 160 GLN A N 367 C CA . GLN A 61 ? 0.4293 0.4573 0.4725 0.0235 -0.0459 -0.0398 160 GLN A CA 368 C C . GLN A 61 ? 0.4431 0.4634 0.4799 0.0161 -0.0468 -0.0487 160 GLN A C 369 O O . GLN A 61 ? 0.4257 0.4629 0.4945 -0.0006 -0.0433 -0.0684 160 GLN A O 370 C CB . GLN A 61 ? 0.4790 0.5230 0.5423 0.0413 -0.0717 -0.0571 160 GLN A CB 371 C CG . GLN A 61 ? 0.5598 0.5770 0.5816 0.0627 -0.0964 -0.0525 160 GLN A CG 372 C CD . GLN A 61 ? 0.5616 0.5815 0.5925 0.0875 -0.1283 -0.0671 160 GLN A CD 373 O OE1 . GLN A 61 ? 0.5858 0.6052 0.6282 0.0937 -0.1289 -0.0653 160 GLN A OE1 374 N NE2 . GLN A 61 ? 0.5865 0.6058 0.6091 0.1052 -0.1586 -0.0840 160 GLN A NE2 375 N N . THR A 62 ? 0.4583 0.4540 0.4550 0.0259 -0.0493 -0.0375 161 THR A N 376 C CA . THR A 62 ? 0.4829 0.4655 0.4687 0.0233 -0.0542 -0.0493 161 THR A CA 377 C C . THR A 62 ? 0.5064 0.5035 0.5059 0.0307 -0.0795 -0.0725 161 THR A C 378 O O . THR A 62 ? 0.4859 0.4982 0.4957 0.0438 -0.0961 -0.0770 161 THR A O 379 C CB . THR A 62 ? 0.4985 0.4582 0.4399 0.0362 -0.0508 -0.0378 161 THR A CB 380 O OG1 . THR A 62 ? 0.5118 0.4690 0.4241 0.0516 -0.0619 -0.0325 161 THR A OG1 381 C CG2 . THR A 62 ? 0.5216 0.4763 0.4565 0.0343 -0.0311 -0.0204 161 THR A CG2 382 N N . LYS A 63 ? 0.5410 0.5297 0.5387 0.0251 -0.0864 -0.0896 162 LYS A N 383 C CA . LYS A 63 ? 0.5829 0.5839 0.5865 0.0359 -0.1156 -0.1143 162 LYS A CA 384 C C . LYS A 63 ? 0.6153 0.5944 0.5612 0.0635 -0.1307 -0.1003 162 LYS A C 385 O O . LYS A 63 ? 0.5935 0.5510 0.5004 0.0672 -0.1124 -0.0755 162 LYS A O 386 C CB . LYS A 63 ? 0.6112 0.5988 0.6157 0.0224 -0.1185 -0.1348 162 LYS A CB 387 C CG . LYS A 63 ? 0.6318 0.6275 0.6815 -0.0131 -0.0999 -0.1479 162 LYS A CG 388 C CD . LYS A 63 ? 0.6818 0.6583 0.7328 -0.0296 -0.1076 -0.1734 162 LYS A CD 389 N N . THR A 64 ? 0.6151 0.5998 0.5542 0.0819 -0.1638 -0.1177 163 THR A N 390 C CA . THR A 64 ? 0.6799 0.6297 0.5458 0.1064 -0.1803 -0.1050 163 THR A CA 391 C C . THR A 64 ? 0.7397 0.6711 0.5651 0.1117 -0.1893 -0.1187 163 THR A C 392 O O . THR A 64 ? 0.7426 0.6917 0.5999 0.1088 -0.2092 -0.1495 163 THR A O 393 C CB . THR A 64 ? 0.7013 0.6536 0.5660 0.1305 -0.2184 -0.1155 163 THR A CB 394 O OG1 . THR A 64 ? 0.6887 0.6529 0.5858 0.1283 -0.2091 -0.1039 163 THR A OG1 395 C CG2 . THR A 64 ? 0.7878 0.6860 0.5560 0.1550 -0.2381 -0.1003 163 THR A CG2 396 N N . ILE A 65 ? 0.7774 0.6770 0.5361 0.1174 -0.1728 -0.1000 164 ILE A N 397 C CA . ILE A 65 ? 0.8462 0.7264 0.5566 0.1268 -0.1819 -0.1155 164 ILE A CA 398 C C . ILE A 65 ? 0.9504 0.7997 0.5853 0.1506 -0.2110 -0.1144 164 ILE A C 399 O O . ILE A 65 ? 0.9920 0.8119 0.5682 0.1547 -0.1988 -0.0873 164 ILE A O 400 C CB . ILE A 65 ? 0.8449 0.7130 0.5225 0.1222 -0.1460 -0.1034 164 ILE A CB 401 C CG1 . ILE A 65 ? 0.8007 0.6849 0.5367 0.1054 -0.1227 -0.1031 164 ILE A CG1 402 C CG2 . ILE A 65 ? 0.9020 0.7491 0.5211 0.1359 -0.1552 -0.1230 164 ILE A CG2 403 C CD1 . ILE A 65 ? 0.8050 0.6927 0.5874 0.0939 -0.1365 -0.1281 164 ILE A CD1 404 N N . LYS A 66 ? 0.8769 0.7799 0.6373 0.0503 -0.2045 -0.0733 165 LYS A N 405 C CA . LYS A 66 ? 0.9600 0.8300 0.6608 0.0600 -0.2341 -0.0686 165 LYS A CA 406 C C . LYS A 66 ? 1.0133 0.8449 0.6351 0.0516 -0.2206 -0.0624 165 LYS A C 407 O O . LYS A 66 ? 1.0165 0.8540 0.6342 0.0414 -0.2031 -0.0741 165 LYS A O 408 C CB . LYS A 66 ? 0.9925 0.8798 0.7147 0.0685 -0.2718 -0.0879 165 LYS A CB 409 C CG . LYS A 66 ? 0.9680 0.8919 0.7634 0.0794 -0.2897 -0.0949 165 LYS A CG 410 N N . LYS A 67 ? 1.0537 0.8441 0.6126 0.0554 -0.2272 -0.0445 166 LYS A N 411 C CA . LYS A 67 ? 1.1298 0.8768 0.6007 0.0470 -0.2170 -0.0373 166 LYS A CA 412 C C . LYS A 67 ? 1.1124 0.8661 0.5771 0.0304 -0.1737 -0.0415 166 LYS A C 413 O O . LYS A 67 ? 1.1546 0.9043 0.5916 0.0250 -0.1692 -0.0559 166 LYS A O 414 C CB . LYS A 67 ? 1.1792 0.9054 0.6005 0.0541 -0.2529 -0.0480 166 LYS A CB 415 C CG . LYS A 67 ? 1.2407 0.9456 0.6448 0.0723 -0.2968 -0.0394 166 LYS A CG 416 N N . SER A 68 ? 1.0624 0.8262 0.5535 0.0235 -0.1434 -0.0305 167 SER A N 417 C CA . SER A 68 ? 1.0357 0.8124 0.5338 0.0106 -0.1038 -0.0355 167 SER A CA 418 C C . SER A 68 ? 1.0216 0.7910 0.5144 0.0016 -0.0761 -0.0186 167 SER A C 419 O O . SER A 68 ? 0.9740 0.7501 0.5003 0.0056 -0.0811 -0.0075 167 SER A O 420 C CB . SER A 68 ? 0.9717 0.7914 0.5461 0.0121 -0.0965 -0.0505 167 SER A CB 421 O OG . SER A 68 ? 0.9758 0.8084 0.5628 0.0035 -0.0618 -0.0552 167 SER A OG 422 N N . LEU A 69 ? 1.0312 0.7891 0.4850 -0.0114 -0.0457 -0.0190 168 LEU A N 423 C CA . LEU A 69 ? 1.0184 0.7783 0.4777 -0.0236 -0.0143 -0.0077 168 LEU A CA 424 C C . LEU A 69 ? 0.9503 0.7534 0.4716 -0.0266 0.0130 -0.0206 168 LEU A C 425 O O . LEU A 69 ? 0.9396 0.7548 0.4803 -0.0356 0.0378 -0.0152 168 LEU A O 426 C CB . LEU A 69 ? 1.1168 0.8373 0.4950 -0.0386 0.0050 0.0007 168 LEU A CB 427 C CG . LEU A 69 ? 1.2044 0.8699 0.5064 -0.0367 -0.0210 0.0178 168 LEU A CG 428 C CD1 . LEU A 69 ? 1.2953 0.9201 0.5128 -0.0558 0.0054 0.0258 168 LEU A CD1 429 C CD2 . LEU A 69 ? 1.1990 0.8549 0.5246 -0.0297 -0.0397 0.0353 168 LEU A CD2 430 N N . ASN A 70 ? 0.9039 0.7284 0.4562 -0.0188 0.0067 -0.0380 169 ASN A N 431 C CA . ASN A 70 ? 0.8450 0.7062 0.4600 -0.0170 0.0244 -0.0492 169 ASN A CA 432 C C . ASN A 70 ? 0.7974 0.6766 0.4623 -0.0064 0.0025 -0.0563 169 ASN A C 433 O O . ASN A 70 ? 0.7676 0.6535 0.4437 -0.0032 0.0013 -0.0725 169 ASN A O 434 C CB . ASN A 70 ? 0.8860 0.7520 0.4862 -0.0214 0.0497 -0.0661 169 ASN A CB 435 C CG . ASN A 70 ? 0.9462 0.7962 0.4962 -0.0352 0.0758 -0.0609 169 ASN A CG 436 O OD1 . ASN A 70 ? 0.9613 0.8309 0.5371 -0.0424 0.1017 -0.0597 169 ASN A OD1 437 N ND2 . ASN A 70 ? 1.0433 0.8568 0.5203 -0.0401 0.0685 -0.0575 169 ASN A ND2 438 N N . PRO A 71 ? 0.7587 0.6443 0.4530 -0.0020 -0.0132 -0.0452 170 PRO A N 439 C CA . PRO A 71 ? 0.7171 0.6201 0.4575 0.0053 -0.0317 -0.0517 170 PRO A CA 440 C C . PRO A 71 ? 0.6645 0.5912 0.4546 0.0056 -0.0166 -0.0589 170 PRO A C 441 O O . PRO A 71 ? 0.6314 0.5689 0.4400 0.0037 0.0013 -0.0529 170 PRO A O 442 C CB . PRO A 71 ? 0.6885 0.5920 0.4442 0.0093 -0.0463 -0.0380 170 PRO A CB 443 C CG . PRO A 71 ? 0.7064 0.5977 0.4394 0.0031 -0.0296 -0.0241 170 PRO A CG 444 C CD . PRO A 71 ? 0.7556 0.6316 0.4417 -0.0050 -0.0119 -0.0274 170 PRO A CD 445 N N . LYS A 72 ? 0.6246 0.5571 0.4358 0.0078 -0.0259 -0.0716 171 LYS A N 446 C CA . LYS A 72 ? 0.5830 0.5288 0.4350 0.0086 -0.0151 -0.0776 171 LYS A CA 447 C C . LYS A 72 ? 0.5560 0.5135 0.4469 0.0087 -0.0277 -0.0751 171 LYS A C 448 O O . LYS A 72 ? 0.5785 0.5364 0.4831 0.0066 -0.0376 -0.0858 171 LYS A O 449 C CB . LYS A 72 ? 0.6001 0.5368 0.4422 0.0086 -0.0119 -0.0952 171 LYS A CB 450 C CG . LYS A 72 ? 0.6900 0.6160 0.4914 0.0080 0.0030 -0.1017 171 LYS A CG 451 C CD . LYS A 72 ? 0.8094 0.7219 0.5931 0.0083 -0.0002 -0.1217 171 LYS A CD 452 C CE . LYS A 72 ? 0.9610 0.8597 0.6917 0.0062 0.0115 -0.1287 171 LYS A CE 453 N N . TRP A 73 ? 0.5427 0.5098 0.4515 0.0096 -0.0260 -0.0625 172 TRP A N 454 C CA . TRP A 73 ? 0.5273 0.5070 0.4715 0.0090 -0.0343 -0.0613 172 TRP A CA 455 C C . TRP A 73 ? 0.5347 0.5170 0.5053 0.0056 -0.0258 -0.0667 172 TRP A C 456 O O . TRP A 73 ? 0.4971 0.4841 0.4891 0.0008 -0.0326 -0.0736 172 TRP A O 457 C CB . TRP A 73 ? 0.5000 0.4868 0.4548 0.0109 -0.0309 -0.0480 172 TRP A CB 458 C CG . TRP A 73 ? 0.5402 0.5182 0.4695 0.0141 -0.0411 -0.0410 172 TRP A CG 459 C CD1 . TRP A 73 ? 0.5662 0.5432 0.4939 0.0187 -0.0617 -0.0429 172 TRP A CD1 460 C CD2 . TRP A 73 ? 0.5019 0.4679 0.4030 0.0129 -0.0320 -0.0309 172 TRP A CD2 461 N NE1 . TRP A 73 ? 0.5519 0.5112 0.4471 0.0220 -0.0676 -0.0328 172 TRP A NE1 462 C CE2 . TRP A 73 ? 0.5706 0.5217 0.4473 0.0166 -0.0481 -0.0248 172 TRP A CE2 463 C CE3 . TRP A 73 ? 0.5717 0.5387 0.4680 0.0087 -0.0121 -0.0271 172 TRP A CE3 464 C CZ2 . TRP A 73 ? 0.5942 0.5252 0.4362 0.0139 -0.0431 -0.0132 172 TRP A CZ2 465 C CZ3 . TRP A 73 ? 0.5838 0.5383 0.4522 0.0045 -0.0055 -0.0177 172 TRP A CZ3 466 C CH2 . TRP A 73 ? 0.6161 0.5496 0.4548 0.0060 -0.0201 -0.0098 172 TRP A CH2 467 N N . ASN A 74 ? 0.4974 0.4756 0.4668 0.0079 -0.0111 -0.0640 173 ASN A N 468 C CA . ASN A 74 ? 0.5037 0.4762 0.4913 0.0072 -0.0043 -0.0667 173 ASN A CA 469 C C . ASN A 74 ? 0.4970 0.4747 0.5087 0.0014 -0.0069 -0.0622 173 ASN A C 470 O O . ASN A 74 ? 0.5094 0.4796 0.5319 -0.0054 -0.0080 -0.0688 173 ASN A O 471 C CB . ASN A 74 ? 0.5720 0.5295 0.5508 0.0062 -0.0053 -0.0810 173 ASN A CB 472 C CG . ASN A 74 ? 0.6359 0.5794 0.6242 0.0096 0.0032 -0.0825 173 ASN A CG 473 O OD1 . ASN A 74 ? 0.6465 0.5936 0.6430 0.0155 0.0099 -0.0736 173 ASN A OD1 474 N ND2 . ASN A 74 ? 0.7244 0.6495 0.7112 0.0065 0.0010 -0.0942 173 ASN A ND2 475 N N . GLU A 75 ? 0.4387 0.4281 0.4575 0.0026 -0.0061 -0.0520 174 GLU A N 476 C CA . GLU A 75 ? 0.4593 0.4569 0.4987 -0.0029 -0.0064 -0.0492 174 GLU A CA 477 C C . GLU A 75 ? 0.4513 0.4463 0.4931 -0.0013 0.0028 -0.0387 174 GLU A C 478 O O . GLU A 75 ? 0.5012 0.4983 0.5349 0.0049 0.0051 -0.0327 174 GLU A O 479 C CB . GLU A 75 ? 0.4797 0.4921 0.5237 -0.0009 -0.0164 -0.0493 174 GLU A CB 480 C CG . GLU A 75 ? 0.5051 0.5315 0.5743 -0.0051 -0.0156 -0.0500 174 GLU A CG 481 C CD . GLU A 75 ? 0.5118 0.5539 0.5935 -0.0010 -0.0301 -0.0562 174 GLU A CD 482 O OE1 . GLU A 75 ? 0.5235 0.5624 0.5910 0.0040 -0.0442 -0.0601 174 GLU A OE1 483 O OE2 . GLU A 75 ? 0.6201 0.6769 0.7252 -0.0022 -0.0275 -0.0580 174 GLU A OE2 484 N N . GLU A 76 ? 0.4448 0.4350 0.4963 -0.0082 0.0080 -0.0371 175 GLU A N 485 C CA . GLU A 76 ? 0.4506 0.4341 0.4979 -0.0069 0.0145 -0.0271 175 GLU A CA 486 C C . GLU A 76 ? 0.4288 0.4248 0.4860 -0.0121 0.0176 -0.0252 175 GLU A C 487 O O . GLU A 76 ? 0.4293 0.4343 0.5017 -0.0202 0.0191 -0.0323 175 GLU A O 488 C CB . GLU A 76 ? 0.4841 0.4426 0.5239 -0.0112 0.0193 -0.0251 175 GLU A CB 489 C CG . GLU A 76 ? 0.5791 0.5214 0.6105 -0.0036 0.0167 -0.0280 175 GLU A CG 490 C CD . GLU A 76 ? 0.6516 0.5625 0.6705 -0.0031 0.0187 -0.0219 175 GLU A CD 491 O OE1 . GLU A 76 ? 0.6748 0.5729 0.6870 -0.0129 0.0240 -0.0153 175 GLU A OE1 492 O OE2 . GLU A 76 ? 0.6773 0.5740 0.6911 0.0075 0.0153 -0.0242 175 GLU A OE2 493 N N . ILE A 77 ? 0.4058 0.4046 0.4571 -0.0074 0.0188 -0.0178 176 ILE A N 494 C CA . ILE A 77 ? 0.4082 0.4160 0.4658 -0.0112 0.0234 -0.0173 176 ILE A CA 495 C C . ILE A 77 ? 0.4400 0.4338 0.4807 -0.0115 0.0281 -0.0088 176 ILE A C 496 O O . ILE A 77 ? 0.4424 0.4308 0.4735 -0.0039 0.0229 -0.0034 176 ILE A O 497 C CB . ILE A 77 ? 0.4050 0.4274 0.4684 -0.0045 0.0169 -0.0182 176 ILE A CB 498 C CG1 . ILE A 77 ? 0.4307 0.4618 0.5032 -0.0021 0.0080 -0.0252 176 ILE A CG1 499 C CG2 . ILE A 77 ? 0.3985 0.4292 0.4696 -0.0065 0.0220 -0.0202 176 ILE A CG2 500 C CD1 . ILE A 77 ? 0.4547 0.4876 0.5203 0.0056 -0.0005 -0.0225 176 ILE A CD1 501 N N . LEU A 78 ? 0.4143 0.4022 0.4507 -0.0208 0.0379 -0.0085 177 LEU A N 502 C CA . LEU A 78 ? 0.4305 0.4011 0.4428 -0.0214 0.0410 -0.0002 177 LEU A CA 503 C C . LEU A 78 ? 0.3921 0.3754 0.4051 -0.0210 0.0440 -0.0024 177 LEU A C 504 O O . LEU A 78 ? 0.3970 0.3954 0.4259 -0.0263 0.0520 -0.0107 177 LEU A O 505 C CB . LEU A 78 ? 0.4515 0.3977 0.4461 -0.0336 0.0517 0.0033 177 LEU A CB 506 C CG . LEU A 78 ? 0.5337 0.4503 0.5119 -0.0316 0.0467 0.0099 177 LEU A CG 507 C CD1 . LEU A 78 ? 0.5574 0.4815 0.5538 -0.0244 0.0384 0.0043 177 LEU A CD1 508 C CD2 . LEU A 78 ? 0.5276 0.4191 0.4901 -0.0488 0.0607 0.0120 177 LEU A CD2 509 N N . PHE A 79 ? 0.4215 0.3995 0.4197 -0.0142 0.0369 0.0031 178 PHE A N 510 C CA . PHE A 79 ? 0.4126 0.3957 0.4047 -0.0145 0.0393 0.0006 178 PHE A CA 511 C C . PHE A 79 ? 0.4559 0.4175 0.4146 -0.0164 0.0392 0.0073 178 PHE A C 512 O O . PHE A 79 ? 0.4701 0.4187 0.4155 -0.0101 0.0278 0.0146 178 PHE A O 513 C CB . PHE A 79 ? 0.3874 0.3824 0.3896 -0.0061 0.0285 -0.0004 178 PHE A CB 514 C CG . PHE A 79 ? 0.3779 0.3881 0.4035 -0.0031 0.0261 -0.0054 178 PHE A CG 515 C CD1 . PHE A 79 ? 0.3649 0.3847 0.4029 -0.0026 0.0289 -0.0129 178 PHE A CD1 516 C CD2 . PHE A 79 ? 0.4117 0.4243 0.4438 0.0005 0.0201 -0.0032 178 PHE A CD2 517 C CE1 . PHE A 79 ? 0.3879 0.4165 0.4424 0.0024 0.0225 -0.0163 178 PHE A CE1 518 C CE2 . PHE A 79 ? 0.3977 0.4190 0.4423 0.0031 0.0163 -0.0067 178 PHE A CE2 519 C CZ . PHE A 79 ? 0.3823 0.4098 0.4366 0.0045 0.0159 -0.0123 178 PHE A CZ 520 N N . ARG A 80 ? 0.4622 0.4202 0.4064 -0.0236 0.0505 0.0036 179 ARG A N 521 C CA . ARG A 80 ? 0.4982 0.4340 0.4031 -0.0248 0.0482 0.0092 179 ARG A CA 522 C C . ARG A 80 ? 0.4790 0.4255 0.3865 -0.0179 0.0380 0.0044 179 ARG A C 523 O O . ARG A 80 ? 0.4813 0.4436 0.4061 -0.0184 0.0442 -0.0054 179 ARG A O 524 C CB . ARG A 80 ? 0.5234 0.4456 0.4033 -0.0383 0.0682 0.0072 179 ARG A CB 525 C CG . ARG A 80 ? 0.5946 0.4857 0.4220 -0.0402 0.0649 0.0149 179 ARG A CG 526 C CD . ARG A 80 ? 0.6078 0.4843 0.4056 -0.0563 0.0893 0.0121 179 ARG A CD 527 N NE . ARG A 80 ? 0.6975 0.5527 0.4824 -0.0686 0.1017 0.0200 179 ARG A NE 528 C CZ . ARG A 80 ? 0.7377 0.6099 0.5527 -0.0808 0.1214 0.0120 179 ARG A CZ 529 N NH1 . ARG A 80 ? 0.6527 0.5657 0.5152 -0.0791 0.1289 -0.0041 179 ARG A NH1 530 N NH2 . ARG A 80 ? 0.7648 0.6113 0.5624 -0.0947 0.1325 0.0197 179 ARG A NH2 531 N N . VAL A 81 ? 0.4959 0.4334 0.3887 -0.0111 0.0212 0.0102 180 VAL A N 532 C CA . VAL A 81 ? 0.4513 0.4021 0.3553 -0.0056 0.0084 0.0052 180 VAL A CA 533 C C . VAL A 81 ? 0.4906 0.4266 0.3632 -0.0032 -0.0058 0.0072 180 VAL A C 534 O O . VAL A 81 ? 0.5160 0.4283 0.3558 -0.0023 -0.0103 0.0154 180 VAL A O 535 C CB . VAL A 81 ? 0.4409 0.4098 0.3782 0.0009 -0.0012 0.0062 180 VAL A CB 536 C CG1 . VAL A 81 ? 0.4005 0.3813 0.3633 -0.0006 0.0092 0.0042 180 VAL A CG1 537 C CG2 . VAL A 81 ? 0.4594 0.4203 0.3909 0.0082 -0.0137 0.0133 180 VAL A CG2 538 N N . HIS A 82 ? 0.4960 0.4425 0.3756 -0.0025 -0.0141 -0.0005 181 HIS A N 539 C CA . HIS A 82 ? 0.5429 0.4840 0.4050 0.0013 -0.0339 -0.0012 181 HIS A CA 540 C C . HIS A 82 ? 0.5196 0.4838 0.4204 0.0075 -0.0470 -0.0016 181 HIS A C 541 O O . HIS A 82 ? 0.5009 0.4835 0.4299 0.0041 -0.0458 -0.0084 181 HIS A O 542 C CB . HIS A 82 ? 0.5803 0.5217 0.4332 -0.0037 -0.0348 -0.0125 181 HIS A CB 543 C CG . HIS A 82 ? 0.6307 0.5524 0.4460 -0.0098 -0.0197 -0.0158 181 HIS A CG 544 N ND1 . HIS A 82 ? 0.7380 0.6335 0.5071 -0.0116 -0.0179 -0.0083 181 HIS A ND1 545 C CD2 . HIS A 82 ? 0.6994 0.6225 0.5156 -0.0147 -0.0046 -0.0269 181 HIS A CD2 546 C CE1 . HIS A 82 ? 0.7647 0.6490 0.5075 -0.0194 0.0005 -0.0151 181 HIS A CE1 547 N NE2 . HIS A 82 ? 0.7046 0.6075 0.4786 -0.0202 0.0086 -0.0276 181 HIS A NE2 548 N N . PRO A 83 ? 0.5315 0.4930 0.4335 0.0162 -0.0582 0.0051 182 PRO A N 549 C CA . PRO A 83 ? 0.5123 0.4998 0.4568 0.0218 -0.0638 0.0027 182 PRO A CA 550 C C . PRO A 83 ? 0.4865 0.4993 0.4583 0.0202 -0.0752 -0.0072 182 PRO A C 551 O O . PRO A 83 ? 0.4549 0.4913 0.4632 0.0181 -0.0699 -0.0112 182 PRO A O 552 C CB . PRO A 83 ? 0.5513 0.5273 0.4882 0.0342 -0.0766 0.0094 182 PRO A CB 553 C CG . PRO A 83 ? 0.6045 0.5440 0.4903 0.0340 -0.0791 0.0178 182 PRO A CG 554 C CD . PRO A 83 ? 0.5823 0.5140 0.4457 0.0212 -0.0642 0.0149 182 PRO A CD 555 N N . GLN A 84 ? 0.5043 0.5116 0.4573 0.0193 -0.0897 -0.0120 183 GLN A N 556 C CA . GLN A 84 ? 0.5185 0.5513 0.5009 0.0156 -0.1018 -0.0235 183 GLN A CA 557 C C . GLN A 84 ? 0.5230 0.5576 0.5106 0.0018 -0.0904 -0.0305 183 GLN A C 558 O O . GLN A 84 ? 0.5532 0.6060 0.5653 -0.0052 -0.0973 -0.0403 183 GLN A O 559 C CB . GLN A 84 ? 0.5490 0.5789 0.5150 0.0228 -0.1288 -0.0277 183 GLN A CB 560 C CG . GLN A 84 ? 0.6404 0.6692 0.6087 0.0395 -0.1441 -0.0215 183 GLN A CG 561 C CD . GLN A 84 ? 0.8015 0.7884 0.7104 0.0468 -0.1534 -0.0105 183 GLN A CD 562 O OE1 . GLN A 84 ? 0.8028 0.7620 0.6737 0.0390 -0.1354 -0.0032 183 GLN A OE1 563 N NE2 . GLN A 84 ? 0.8577 0.8393 0.7578 0.0617 -0.1815 -0.0097 183 GLN A NE2 564 N N . GLN A 85 ? 0.4871 0.5024 0.4538 -0.0020 -0.0734 -0.0267 184 GLN A N 565 C CA . GLN A 85 ? 0.5242 0.5333 0.4900 -0.0116 -0.0638 -0.0335 184 GLN A CA 566 C C . GLN A 85 ? 0.4735 0.4839 0.4565 -0.0137 -0.0462 -0.0292 184 GLN A C 567 O O . GLN A 85 ? 0.4618 0.4756 0.4622 -0.0208 -0.0423 -0.0329 184 GLN A O 568 C CB . GLN A 85 ? 0.5763 0.5611 0.5006 -0.0115 -0.0607 -0.0357 184 GLN A CB 569 C CG . GLN A 85 ? 0.6243 0.5979 0.5430 -0.0173 -0.0491 -0.0440 184 GLN A CG 570 C CD . GLN A 85 ? 0.7297 0.6820 0.6056 -0.0171 -0.0446 -0.0489 184 GLN A CD 571 O OE1 . GLN A 85 ? 0.7873 0.7313 0.6570 -0.0175 -0.0276 -0.0527 184 GLN A OE1 572 N NE2 . GLN A 85 ? 0.7595 0.7034 0.6052 -0.0162 -0.0601 -0.0500 184 GLN A NE2 573 N N . HIS A 86 ? 0.4326 0.4375 0.4081 -0.0081 -0.0367 -0.0215 185 HIS A N 574 C CA . HIS A 86 ? 0.4127 0.4184 0.4019 -0.0086 -0.0233 -0.0184 185 HIS A CA 575 C C . HIS A 86 ? 0.3934 0.4148 0.4084 -0.0093 -0.0229 -0.0150 185 HIS A C 576 O O . HIS A 86 ? 0.3889 0.4239 0.4152 -0.0066 -0.0303 -0.0145 185 HIS A O 577 C CB . HIS A 86 ? 0.4049 0.4028 0.3818 -0.0044 -0.0137 -0.0136 185 HIS A CB 578 C CG . HIS A 86 ? 0.5063 0.4912 0.4624 -0.0061 -0.0059 -0.0190 185 HIS A CG 579 N ND1 . HIS A 86 ? 0.5378 0.5115 0.4682 -0.0064 -0.0008 -0.0166 185 HIS A ND1 580 C CD2 . HIS A 86 ? 0.5958 0.5759 0.5523 -0.0076 -0.0009 -0.0277 185 HIS A CD2 581 C CE1 . HIS A 86 ? 0.5893 0.5556 0.5059 -0.0092 0.0092 -0.0248 185 HIS A CE1 582 N NE2 . HIS A 86 ? 0.6013 0.5722 0.5355 -0.0086 0.0084 -0.0324 185 HIS A NE2 583 N N . ARG A 87 ? 0.3802 0.3987 0.4032 -0.0120 -0.0146 -0.0136 186 ARG A N 584 C CA . ARG A 87 ? 0.3659 0.3947 0.4049 -0.0139 -0.0106 -0.0101 186 ARG A CA 585 C C . ARG A 87 ? 0.3758 0.3967 0.4106 -0.0102 -0.0034 -0.0056 186 ARG A C 586 O O . ARG A 87 ? 0.3694 0.3795 0.3960 -0.0071 -0.0017 -0.0069 186 ARG A O 587 C CB . ARG A 87 ? 0.3795 0.4085 0.4273 -0.0248 -0.0095 -0.0128 186 ARG A CB 588 C CG . ARG A 87 ? 0.3935 0.4363 0.4539 -0.0314 -0.0177 -0.0202 186 ARG A CG 589 C CD . ARG A 87 ? 0.3762 0.4173 0.4465 -0.0463 -0.0132 -0.0231 186 ARG A CD 590 N NE . ARG A 87 ? 0.3672 0.4202 0.4504 -0.0518 -0.0024 -0.0198 186 ARG A NE 591 C CZ . ARG A 87 ? 0.4003 0.4827 0.5093 -0.0545 -0.0008 -0.0251 186 ARG A CZ 592 N NH1 . ARG A 87 ? 0.3853 0.4897 0.5134 -0.0513 -0.0129 -0.0335 186 ARG A NH1 593 N NH2 . ARG A 87 ? 0.4068 0.4971 0.5225 -0.0598 0.0125 -0.0231 186 ARG A NH2 594 N N . LEU A 88 ? 0.3555 0.3832 0.3974 -0.0106 0.0006 -0.0024 187 LEU A N 595 C CA . LEU A 88 ? 0.3840 0.4044 0.4205 -0.0073 0.0044 0.0008 187 LEU A CA 596 C C . LEU A 88 ? 0.3737 0.3863 0.4052 -0.0136 0.0077 0.0038 187 LEU A C 597 O O . LEU A 88 ? 0.4011 0.4228 0.4386 -0.0208 0.0125 0.0034 187 LEU A O 598 C CB . LEU A 88 ? 0.3623 0.3917 0.4028 -0.0023 0.0062 0.0016 187 LEU A CB 599 C CG . LEU A 88 ? 0.4653 0.4911 0.5026 0.0031 0.0062 0.0015 187 LEU A CG 600 C CD1 . LEU A 88 ? 0.4183 0.4377 0.4504 0.0033 0.0064 -0.0005 187 LEU A CD1 601 C CD2 . LEU A 88 ? 0.4233 0.4530 0.4633 0.0070 0.0062 0.0019 187 LEU A CD2 602 N N . LEU A 89 ? 0.3878 0.3829 0.4078 -0.0111 0.0053 0.0062 188 LEU A N 603 C CA . LEU A 89 ? 0.4016 0.3797 0.4061 -0.0161 0.0067 0.0116 188 LEU A CA 604 C C . LEU A 89 ? 0.4372 0.4131 0.4334 -0.0088 0.0039 0.0134 188 LEU A C 605 O O . LEU A 89 ? 0.4454 0.4200 0.4456 0.0003 -0.0032 0.0108 188 LEU A O 606 C CB . LEU A 89 ? 0.4331 0.3854 0.4266 -0.0166 0.0011 0.0132 188 LEU A CB 607 C CG . LEU A 89 ? 0.5103 0.4331 0.4781 -0.0194 -0.0010 0.0213 188 LEU A CG 608 C CD1 . LEU A 89 ? 0.5257 0.4464 0.4832 -0.0361 0.0112 0.0258 188 LEU A CD1 609 C CD2 . LEU A 89 ? 0.5570 0.4491 0.5146 -0.0159 -0.0097 0.0221 188 LEU A CD2 610 N N . PHE A 90 ? 0.4200 0.3973 0.4062 -0.0134 0.0101 0.0157 189 PHE A N 611 C CA . PHE A 90 ? 0.4331 0.4052 0.4060 -0.0078 0.0062 0.0163 189 PHE A CA 612 C C . PHE A 90 ? 0.4634 0.4062 0.4045 -0.0112 0.0029 0.0239 189 PHE A C 613 O O . PHE A 90 ? 0.5079 0.4414 0.4347 -0.0232 0.0130 0.0282 189 PHE A O 614 C CB . PHE A 90 ? 0.4087 0.3965 0.3846 -0.0100 0.0154 0.0127 189 PHE A CB 615 C CG . PHE A 90 ? 0.3835 0.3925 0.3849 -0.0055 0.0168 0.0069 189 PHE A CG 616 C CD1 . PHE A 90 ? 0.3838 0.4059 0.4018 -0.0086 0.0207 0.0053 189 PHE A CD1 617 C CD2 . PHE A 90 ? 0.3783 0.3910 0.3845 0.0012 0.0129 0.0030 189 PHE A CD2 618 C CE1 . PHE A 90 ? 0.3625 0.3971 0.3966 -0.0027 0.0188 0.0016 189 PHE A CE1 619 C CE2 . PHE A 90 ? 0.4068 0.4303 0.4294 0.0046 0.0141 -0.0003 189 PHE A CE2 620 C CZ . PHE A 90 ? 0.3479 0.3802 0.3817 0.0037 0.0161 -0.0001 189 PHE A CZ 621 N N . GLU A 91 ? 0.4758 0.4033 0.4058 -0.0012 -0.0116 0.0251 190 GLU A N 622 C CA . GLU A 91 ? 0.5270 0.4189 0.4180 -0.0020 -0.0191 0.0340 190 GLU A CA 623 C C . GLU A 91 ? 0.5485 0.4385 0.4246 0.0061 -0.0300 0.0320 190 GLU A C 624 O O . GLU A 91 ? 0.5039 0.4093 0.4024 0.0176 -0.0421 0.0243 190 GLU A O 625 C CB . GLU A 91 ? 0.5680 0.4365 0.4567 0.0061 -0.0330 0.0369 190 GLU A CB 626 C CG . GLU A 91 ? 0.5796 0.4455 0.4814 -0.0008 -0.0255 0.0368 190 GLU A CG 627 C CD . GLU A 91 ? 0.6384 0.4821 0.5415 0.0111 -0.0404 0.0360 190 GLU A CD 628 O OE1 . GLU A 91 ? 0.6239 0.4864 0.5540 0.0251 -0.0491 0.0265 190 GLU A OE1 629 O OE2 . GLU A 91 ? 0.7145 0.5209 0.5923 0.0060 -0.0424 0.0438 190 GLU A OE2 630 N N . VAL A 92 ? 0.5705 0.4422 0.4084 -0.0014 -0.0249 0.0375 191 VAL A N 631 C CA . VAL A 92 ? 0.5991 0.4650 0.4146 0.0048 -0.0360 0.0348 191 VAL A CA 632 C C . VAL A 92 ? 0.6465 0.4721 0.4226 0.0122 -0.0567 0.0440 191 VAL A C 633 O O . VAL A 92 ? 0.6745 0.4661 0.4177 0.0044 -0.0524 0.0559 191 VAL A O 634 C CB . VAL A 92 ? 0.6256 0.4933 0.4171 -0.0071 -0.0175 0.0336 191 VAL A CB 635 C CG1 . VAL A 92 ? 0.6403 0.5031 0.4085 -0.0007 -0.0295 0.0279 191 VAL A CG1 636 C CG2 . VAL A 92 ? 0.5824 0.4876 0.4157 -0.0120 0.0013 0.0248 191 VAL A CG2 637 N N . PHE A 93 ? 0.6417 0.4698 0.4222 0.0272 -0.0801 0.0380 192 PHE A N 638 C CA . PHE A 93 ? 0.7167 0.5071 0.4615 0.0392 -0.1065 0.0451 192 PHE A CA 639 C C . PHE A 93 ? 0.7587 0.5457 0.4784 0.0455 -0.1239 0.0400 192 PHE A C 640 O O . PHE A 93 ? 0.7241 0.5453 0.4718 0.0448 -0.1204 0.0269 192 PHE A O 641 C CB . PHE A 93 ? 0.6982 0.4979 0.4831 0.0566 -0.1260 0.0392 192 PHE A CB 642 C CG . PHE A 93 ? 0.6917 0.4857 0.4936 0.0533 -0.1146 0.0434 192 PHE A CG 643 C CD1 . PHE A 93 ? 0.6645 0.4971 0.5151 0.0483 -0.0973 0.0344 192 PHE A CD1 644 C CD2 . PHE A 93 ? 0.8124 0.5584 0.5782 0.0552 -0.1230 0.0561 192 PHE A CD2 645 C CE1 . PHE A 93 ? 0.6700 0.4963 0.5335 0.0453 -0.0888 0.0365 192 PHE A CE1 646 C CE2 . PHE A 93 ? 0.7838 0.5224 0.5650 0.0514 -0.1135 0.0581 192 PHE A CE2 647 C CZ . PHE A 93 ? 0.7095 0.4899 0.5399 0.0465 -0.0967 0.0474 192 PHE A CZ 648 N N . ASP A 94 ? 0.8355 0.5777 0.5015 0.0525 -0.1453 0.0500 193 ASP A N 649 C CA . ASP A 94 ? 0.8986 0.6302 0.5337 0.0615 -0.1698 0.0457 193 ASP A CA 650 C C . ASP A 94 ? 0.9057 0.6418 0.5704 0.0854 -0.2060 0.0391 193 ASP A C 651 O O . ASP A 94 ? 0.9198 0.6221 0.5679 0.0958 -0.2210 0.0493 193 ASP A O 652 C CB . ASP A 94 ? 0.9721 0.6460 0.5205 0.0530 -0.1692 0.0625 193 ASP A CB 653 C CG . ASP A 94 ? 1.1068 0.7593 0.6089 0.0631 -0.1986 0.0599 193 ASP A CG 654 O OD1 . ASP A 94 ? 1.1097 0.7972 0.6373 0.0656 -0.2038 0.0432 193 ASP A OD1 655 O OD2 . ASP A 94 ? 1.1588 0.7554 0.5953 0.0682 -0.2175 0.0749 193 ASP A OD2 656 N N . GLU A 95 ? 0.8757 0.6556 0.5900 0.0935 -0.2182 0.0205 194 GLU A N 657 C CA . GLU A 95 ? 0.9017 0.6996 0.6601 0.1154 -0.2494 0.0090 194 GLU A CA 658 C C . GLU A 95 ? 0.9909 0.7506 0.6996 0.1319 -0.2890 0.0131 194 GLU A C 659 O O . GLU A 95 ? 1.0133 0.7681 0.6894 0.1291 -0.2999 0.0091 194 GLU A O 660 C CB . GLU A 95 ? 0.8606 0.7184 0.6879 0.1147 -0.2476 -0.0135 194 GLU A CB 661 C CG . GLU A 95 ? 0.8781 0.7689 0.7697 0.1336 -0.2701 -0.0295 194 GLU A CG 662 C CD . GLU A 95 ? 0.8810 0.8301 0.8449 0.1244 -0.2512 -0.0481 194 GLU A CD 663 O OE1 . GLU A 95 ? 0.8535 0.8261 0.8311 0.1180 -0.2552 -0.0610 194 GLU A OE1 664 O OE2 . GLU A 95 ? 0.8997 0.8675 0.9026 0.1224 -0.2317 -0.0499 194 GLU A OE2 665 N N . ASN A 96 ? 1.0479 0.7771 0.7481 0.1500 -0.3117 0.0208 195 ASN A N 666 C CA . ASN A 96 ? 1.1537 0.8442 0.8110 0.1714 -0.3562 0.0246 195 ASN A CA 667 C C . ASN A 96 ? 1.1452 0.8749 0.8747 0.1977 -0.3883 0.0043 195 ASN A C 668 O O . ASN A 96 ? 1.1012 0.8530 0.8864 0.2046 -0.3796 -0.0017 195 ASN A O 669 C CB . ASN A 96 ? 1.2295 0.8450 0.8134 0.1735 -0.3607 0.0501 195 ASN A CB 670 C CG . ASN A 96 ? 1.2677 0.8464 0.7800 0.1455 -0.3276 0.0683 195 ASN A CG 671 O OD1 . ASN A 96 ? 1.2692 0.8487 0.7456 0.1345 -0.3234 0.0663 195 ASN A OD1 672 N ND2 . ASN A 96 ? 1.2662 0.8145 0.7601 0.1330 -0.3029 0.0839 195 ASN A ND2 673 N N . ARG A 97 ? 1.0842 1.0499 1.2434 0.0043 -0.5536 0.1725 196 ARG A N 674 C CA . ARG A 97 ? 1.0619 1.0878 1.3627 0.0095 -0.5829 0.1813 196 ARG A CA 675 C C . ARG A 97 ? 1.0625 1.1096 1.4540 0.0441 -0.5916 0.2184 196 ARG A C 676 O O . ARG A 97 ? 1.0242 1.1233 1.5465 0.0610 -0.5730 0.2171 196 ARG A O 677 C CB . ARG A 97 ? 1.1385 1.1887 1.4337 -0.0142 -0.6584 0.1756 196 ARG A CB 678 N N . LEU A 98 ? 1.1101 1.1199 1.4370 0.0556 -0.6186 0.2526 197 LEU A N 679 C CA . LEU A 98 ? 1.1369 1.1568 1.5583 0.0900 -0.6440 0.2922 197 LEU A CA 680 C C . LEU A 98 ? 1.1321 1.0930 1.5361 0.1127 -0.6043 0.3066 197 LEU A C 681 O O . LEU A 98 ? 1.1685 1.1221 1.6547 0.1445 -0.6262 0.3369 197 LEU A O 682 C CB . LEU A 98 ? 1.2149 1.2471 1.6141 0.0861 -0.7310 0.3358 197 LEU A CB 683 N N . THR A 99 ? 1.0960 1.0139 1.4043 0.0968 -0.5506 0.2842 198 THR A N 684 C CA . THR A 99 ? 1.0986 0.9572 1.3841 0.1092 -0.5169 0.2963 198 THR A CA 685 C C . THR A 99 ? 1.0224 0.8700 1.2874 0.1036 -0.4448 0.2498 198 THR A C 686 O O . THR A 99 ? 0.9517 0.8392 1.2329 0.0944 -0.4197 0.2141 198 THR A O 687 C CB . THR A 99 ? 1.1904 1.0026 1.3488 0.0877 -0.5394 0.3403 198 THR A CB 688 O OG1 . THR A 99 ? 1.2261 1.0561 1.2710 0.0567 -0.5397 0.3204 198 THR A OG1 689 C CG2 . THR A 99 ? 1.2508 1.0578 1.4356 0.0996 -0.6094 0.4039 198 THR A CG2 690 N N . ARG A 100 ? 1.0195 0.8133 1.2529 0.1064 -0.4165 0.2553 199 ARG A N 691 C CA . ARG A 100 ? 0.9641 0.7458 1.1652 0.0982 -0.3560 0.2165 199 ARG A CA 692 C C . ARG A 100 ? 0.9462 0.7343 1.0392 0.0657 -0.3405 0.2038 199 ARG A C 693 O O . ARG A 100 ? 0.9755 0.7548 0.9866 0.0481 -0.3686 0.2292 199 ARG A O 694 C CB . ARG A 100 ? 1.0174 0.7375 1.2125 0.1033 -0.3422 0.2299 199 ARG A CB 695 N N . ASP A 101 ? 0.8681 0.6754 0.9621 0.0601 -0.2971 0.1640 200 ASP A N 696 C CA . ASP A 101 ? 0.8636 0.6688 0.8705 0.0358 -0.2784 0.1462 200 ASP A CA 697 C C . ASP A 101 ? 0.8725 0.6408 0.8086 0.0262 -0.2512 0.1545 200 ASP A C 698 O O . ASP A 101 ? 0.8738 0.6230 0.8419 0.0346 -0.2274 0.1522 200 ASP A O 699 C CB . ASP A 101 ? 0.7779 0.6126 0.8207 0.0333 -0.2446 0.1115 200 ASP A CB 700 C CG . ASP A 101 ? 0.7733 0.6543 0.8944 0.0348 -0.2672 0.1084 200 ASP A CG 701 O OD1 . ASP A 101 ? 0.7802 0.6711 0.9165 0.0345 -0.3148 0.1254 200 ASP A OD1 702 O OD2 . ASP A 101 ? 0.7426 0.6565 0.9133 0.0340 -0.2384 0.0930 200 ASP A OD2 703 N N . ASP A 102 ? 0.9055 0.6700 0.7490 0.0084 -0.2550 0.1605 201 ASP A N 704 C CA . ASP A 102 ? 0.9181 0.6642 0.6977 -0.0041 -0.2278 0.1744 201 ASP A CA 705 C C . ASP A 102 ? 0.8479 0.6018 0.6207 -0.0080 -0.1825 0.1370 201 ASP A C 706 O O . ASP A 102 ? 0.7995 0.5704 0.5729 -0.0074 -0.1777 0.1045 201 ASP A O 707 C CB . ASP A 102 ? 1.0090 0.7653 0.6886 -0.0186 -0.2454 0.1958 201 ASP A CB 708 C CG . ASP A 102 ? 1.1122 0.8639 0.7893 -0.0170 -0.2967 0.2441 201 ASP A CG 709 O OD1 . ASP A 102 ? 1.1595 0.8830 0.8787 -0.0136 -0.3050 0.2862 201 ASP A OD1 710 O OD2 . ASP A 102 ? 1.2132 0.9869 0.8504 -0.0190 -0.3336 0.2399 201 ASP A OD2 711 N N . PHE A 103 ? 0.8440 0.5839 0.6167 -0.0136 -0.1546 0.1456 202 PHE A N 712 C CA . PHE A 103 ? 0.7932 0.5432 0.5712 -0.0159 -0.1166 0.1158 202 PHE A CA 713 C C . PHE A 103 ? 0.8223 0.5912 0.5285 -0.0269 -0.0981 0.1104 202 PHE A C 714 O O . PHE A 103 ? 0.8756 0.6481 0.5310 -0.0383 -0.0988 0.1401 202 PHE A O 715 C CB . PHE A 103 ? 0.7967 0.5255 0.6141 -0.0183 -0.1027 0.1246 202 PHE A CB 716 C CG . PHE A 103 ? 0.7225 0.4657 0.5432 -0.0235 -0.0700 0.1004 202 PHE A CG 717 C CD1 . PHE A 103 ? 0.7044 0.4634 0.5595 -0.0123 -0.0590 0.0690 202 PHE A CD1 718 C CD2 . PHE A 103 ? 0.7514 0.5008 0.5450 -0.0411 -0.0511 0.1150 202 PHE A CD2 719 C CE1 . PHE A 103 ? 0.6924 0.4680 0.5489 -0.0171 -0.0355 0.0522 202 PHE A CE1 720 C CE2 . PHE A 103 ? 0.7033 0.4720 0.5102 -0.0455 -0.0265 0.0950 202 PHE A CE2 721 C CZ . PHE A 103 ? 0.7032 0.4822 0.5394 -0.0327 -0.0216 0.0634 202 PHE A CZ 722 N N . LEU A 104 ? 0.7913 0.5756 0.4960 -0.0221 -0.0816 0.0746 203 LEU A N 723 C CA . LEU A 104 ? 0.8167 0.6218 0.4649 -0.0243 -0.0613 0.0577 203 LEU A CA 724 C C . LEU A 104 ? 0.7629 0.5830 0.4368 -0.0235 -0.0262 0.0442 203 LEU A C 725 O O . LEU A 104 ? 0.7959 0.6397 0.4403 -0.0198 -0.0051 0.0263 203 LEU A O 726 C CB . LEU A 104 ? 0.8380 0.6438 0.4629 -0.0162 -0.0801 0.0224 203 LEU A CB 727 C CG . LEU A 104 ? 0.9609 0.7709 0.5182 -0.0182 -0.1102 0.0208 203 LEU A CG 728 C CD1 . LEU A 104 ? 1.0428 0.8522 0.5769 -0.0276 -0.1284 0.0711 203 LEU A CD1 729 C CD2 . LEU A 104 ? 0.9774 0.7727 0.5642 -0.0146 -0.1470 -0.0073 203 LEU A CD2 730 N N . GLY A 105 ? 0.7026 0.5144 0.4314 -0.0247 -0.0213 0.0495 204 GLY A N 731 C CA . GLY A 105 ? 0.6642 0.4950 0.4162 -0.0276 0.0049 0.0433 204 GLY A CA 732 C C . GLY A 105 ? 0.6280 0.4607 0.4263 -0.0199 0.0053 0.0269 204 GLY A C 733 O O . GLY A 105 ? 0.6024 0.4273 0.4162 -0.0123 -0.0086 0.0191 204 GLY A O 734 N N . GLN A 106 ? 0.5923 0.4424 0.4136 -0.0245 0.0197 0.0259 205 GLN A N 735 C CA . GLN A 106 ? 0.5583 0.4190 0.4125 -0.0193 0.0186 0.0159 205 GLN A CA 736 C C . GLN A 106 ? 0.5335 0.4242 0.4040 -0.0177 0.0306 0.0114 205 GLN A C 737 O O . GLN A 106 ? 0.5583 0.4672 0.4278 -0.0229 0.0438 0.0144 205 GLN A O 738 C CB . GLN A 106 ? 0.5557 0.4080 0.4280 -0.0239 0.0122 0.0148 205 GLN A CB 739 C CG . GLN A 106 ? 0.5747 0.4276 0.4576 -0.0397 0.0157 0.0191 205 GLN A CG 740 C CD . GLN A 106 ? 0.6345 0.4736 0.5396 -0.0415 0.0044 0.0034 205 GLN A CD 741 O OE1 . GLN A 106 ? 0.7371 0.5959 0.6548 -0.0471 0.0031 -0.0106 205 GLN A OE1 742 N NE2 . GLN A 106 ? 0.5743 0.3815 0.4864 -0.0342 -0.0066 0.0015 205 GLN A NE2 743 N N . VAL A 107 ? 0.4970 0.4002 0.3877 -0.0111 0.0256 0.0093 206 VAL A N 744 C CA . VAL A 107 ? 0.4709 0.4040 0.3861 -0.0072 0.0286 0.0112 206 VAL A CA 745 C C . VAL A 107 ? 0.4734 0.4246 0.3945 -0.0108 0.0195 0.0158 206 VAL A C 746 O O . VAL A 107 ? 0.4704 0.4161 0.3847 -0.0087 0.0158 0.0188 206 VAL A O 747 C CB . VAL A 107 ? 0.4650 0.3913 0.3960 0.0080 0.0256 0.0098 206 VAL A CB 748 C CG1 . VAL A 107 ? 0.4529 0.4058 0.4216 0.0156 0.0196 0.0211 206 VAL A CG1 749 C CG2 . VAL A 107 ? 0.5250 0.4434 0.4412 0.0166 0.0373 -0.0077 206 VAL A CG2 750 N N . ASP A 108 ? 0.4579 0.4391 0.3911 -0.0168 0.0159 0.0154 207 ASP A N 751 C CA . ASP A 108 ? 0.4427 0.4497 0.3665 -0.0199 0.0054 0.0142 207 ASP A CA 752 C C . ASP A 108 ? 0.4597 0.5059 0.4036 -0.0173 -0.0056 0.0306 207 ASP A C 753 O O . ASP A 108 ? 0.4359 0.5001 0.4069 -0.0208 -0.0085 0.0291 207 ASP A O 754 C CB . ASP A 108 ? 0.4471 0.4493 0.3631 -0.0319 0.0003 -0.0089 207 ASP A CB 755 C CG . ASP A 108 ? 0.4782 0.5076 0.3708 -0.0310 -0.0091 -0.0246 207 ASP A CG 756 O OD1 . ASP A 108 ? 0.4920 0.5630 0.3807 -0.0320 -0.0198 -0.0143 207 ASP A OD1 757 O OD2 . ASP A 108 ? 0.5385 0.5515 0.4168 -0.0276 -0.0070 -0.0490 207 ASP A OD2 758 N N . VAL A 109 ? 0.4179 0.4668 0.4430 0.0005 0.0564 0.0201 208 VAL A N 759 C CA . VAL A 109 ? 0.3988 0.4891 0.4701 -0.0019 0.0445 0.0074 208 VAL A CA 760 C C . VAL A 109 ? 0.3750 0.4950 0.4690 -0.0014 0.0194 0.0027 208 VAL A C 761 O O . VAL A 109 ? 0.3328 0.4451 0.4036 0.0017 0.0058 0.0118 208 VAL A O 762 C CB . VAL A 109 ? 0.4086 0.5014 0.4684 0.0100 0.0340 0.0108 208 VAL A CB 763 C CG1 . VAL A 109 ? 0.4163 0.4885 0.4591 0.0112 0.0588 0.0108 208 VAL A CG1 764 C CG2 . VAL A 109 ? 0.4539 0.5368 0.4820 0.0193 0.0134 0.0213 208 VAL A CG2 765 N N . PRO A 110 ? 0.3658 0.5220 0.5033 -0.0016 0.0125 -0.0140 209 PRO A N 766 C CA . PRO A 110 ? 0.3633 0.5463 0.5125 0.0059 -0.0132 -0.0182 209 PRO A CA 767 C C . PRO A 110 ? 0.3723 0.5470 0.4949 0.0197 -0.0315 -0.0043 209 PRO A C 768 O O . PRO A 110 ? 0.3704 0.5282 0.4798 0.0226 -0.0255 0.0019 209 PRO A O 769 C CB . PRO A 110 ? 0.3504 0.5744 0.5514 0.0078 -0.0148 -0.0450 209 PRO A CB 770 C CG . PRO A 110 ? 0.3536 0.5742 0.5671 0.0051 0.0038 -0.0509 209 PRO A CG 771 C CD . PRO A 110 ? 0.3732 0.5490 0.5485 -0.0049 0.0275 -0.0325 209 PRO A CD 772 N N . LEU A 111 ? 0.3630 0.5475 0.4781 0.0282 -0.0510 -0.0013 210 LEU A N 773 C CA . LEU A 111 ? 0.3698 0.5367 0.4562 0.0389 -0.0624 0.0130 210 LEU A CA 774 C C . LEU A 111 ? 0.3971 0.5768 0.4874 0.0596 -0.0794 0.0079 210 LEU A C 775 O O . LEU A 111 ? 0.4250 0.5818 0.4839 0.0706 -0.0872 0.0218 210 LEU A O 776 C CB . LEU A 111 ? 0.3403 0.4937 0.3990 0.0325 -0.0651 0.0249 210 LEU A CB 777 C CG . LEU A 111 ? 0.3775 0.5145 0.4231 0.0211 -0.0544 0.0292 210 LEU A CG 778 C CD1 . LEU A 111 ? 0.3730 0.5099 0.4028 0.0159 -0.0590 0.0329 210 LEU A CD1 779 C CD2 . LEU A 111 ? 0.4613 0.5787 0.4953 0.0231 -0.0500 0.0337 210 LEU A CD2 780 N N . TYR A 112 ? 0.4012 0.6152 0.5289 0.0663 -0.0835 -0.0138 211 TYR A N 781 C CA . TYR A 112 ? 0.4744 0.7073 0.6084 0.0933 -0.1037 -0.0253 211 TYR A CA 782 C C . TYR A 112 ? 0.4779 0.7499 0.6669 0.0928 -0.0986 -0.0553 211 TYR A C 783 O O . TYR A 112 ? 0.4586 0.7514 0.6825 0.0725 -0.0830 -0.0708 211 TYR A O 784 C CB . TYR A 112 ? 0.5138 0.7666 0.6387 0.1070 -0.1227 -0.0310 211 TYR A CB 785 C CG . TYR A 112 ? 0.5979 0.8657 0.7139 0.1444 -0.1486 -0.0417 211 TYR A CG 786 C CD1 . TYR A 112 ? 0.5806 0.9043 0.7463 0.1587 -0.1625 -0.0789 211 TYR A CD1 787 C CD2 . TYR A 112 ? 0.6638 0.8876 0.7199 0.1672 -0.1579 -0.0170 211 TYR A CD2 788 C CE1 . TYR A 112 ? 0.6759 1.0176 0.8310 0.2010 -0.1916 -0.0934 211 TYR A CE1 789 C CE2 . TYR A 112 ? 0.6909 0.9197 0.7261 0.2096 -0.1834 -0.0250 211 TYR A CE2 790 C CZ . TYR A 112 ? 0.6925 0.9834 0.7768 0.2291 -0.2032 -0.0642 211 TYR A CZ 791 O OH . TYR A 112 ? 0.7899 1.0919 0.8532 0.2782 -0.2336 -0.0776 211 TYR A OH 792 N N . PRO A 113 ? 0.4867 0.7672 0.6851 0.1145 -0.1089 -0.0655 212 PRO A N 793 C CA . PRO A 113 ? 0.5335 0.7782 0.6883 0.1392 -0.1230 -0.0467 212 PRO A CA 794 C C . PRO A 113 ? 0.5269 0.7290 0.6606 0.1256 -0.1055 -0.0264 212 PRO A C 795 O O . PRO A 113 ? 0.5198 0.7301 0.6787 0.1071 -0.0866 -0.0341 212 PRO A O 796 C CB . PRO A 113 ? 0.5702 0.8512 0.7568 0.1690 -0.1411 -0.0756 212 PRO A CB 797 C CG . PRO A 113 ? 0.5336 0.8605 0.7856 0.1478 -0.1232 -0.1063 212 PRO A CG 798 C CD . PRO A 113 ? 0.4947 0.8237 0.7543 0.1161 -0.1053 -0.1022 212 PRO A CD 799 N N . LEU A 114 ? 0.5395 0.6951 0.6262 0.1353 -0.1099 -0.0028 213 LEU A N 800 C CA . LEU A 114 ? 0.5410 0.6573 0.6106 0.1254 -0.0961 0.0111 213 LEU A CA 801 C C . LEU A 114 ? 0.5996 0.6738 0.6339 0.1506 -0.1060 0.0233 213 LEU A C 802 O O . LEU A 114 ? 0.6357 0.6969 0.6393 0.1707 -0.1192 0.0316 213 LEU A O 803 C CB . LEU A 114 ? 0.4946 0.5884 0.5435 0.0994 -0.0816 0.0273 213 LEU A CB 804 C CG . LEU A 114 ? 0.5094 0.6265 0.5771 0.0768 -0.0698 0.0213 213 LEU A CG 805 C CD1 . LEU A 114 ? 0.5000 0.5950 0.5428 0.0604 -0.0624 0.0344 213 LEU A CD1 806 C CD2 . LEU A 114 ? 0.4545 0.5828 0.5456 0.0707 -0.0569 0.0094 213 LEU A CD2 807 N N . PRO A 115 ? 0.6073 0.6552 0.6405 0.1518 -0.0987 0.0244 214 PRO A N 808 C CA . PRO A 115 ? 0.6554 0.6518 0.6522 0.1756 -0.1044 0.0368 214 PRO A CA 809 C C . PRO A 115 ? 0.6989 0.6413 0.6490 0.1647 -0.0924 0.0619 214 PRO A C 810 O O . PRO A 115 ? 0.6377 0.5838 0.5937 0.1343 -0.0775 0.0654 214 PRO A O 811 C CB . PRO A 115 ? 0.6719 0.6563 0.6866 0.1705 -0.0945 0.0287 214 PRO A CB 812 C CG . PRO A 115 ? 0.6187 0.6547 0.6770 0.1525 -0.0873 0.0103 214 PRO A CG 813 C CD . PRO A 115 ? 0.5818 0.6426 0.6431 0.1338 -0.0840 0.0138 214 PRO A CD 814 N N . THR A 116 ? 0.7372 0.6284 0.6398 0.1908 -0.0974 0.0777 215 THR A N 815 C CA . THR A 116 ? 0.7889 0.6168 0.6439 0.1791 -0.0778 0.1017 215 THR A CA 816 C C . THR A 116 ? 0.8395 0.6090 0.6847 0.1760 -0.0614 0.1065 215 THR A C 817 O O . THR A 116 ? 0.8850 0.6329 0.7224 0.2056 -0.0723 0.1038 215 THR A O 818 C CB . THR A 116 ? 0.8660 0.6587 0.6593 0.2088 -0.0861 0.1208 215 THR A CB 819 O OG1 . THR A 116 ? 0.8293 0.6814 0.6365 0.2114 -0.1026 0.1115 215 THR A OG1 820 C CG2 . THR A 116 ? 0.9040 0.6261 0.6476 0.1902 -0.0562 0.1457 215 THR A CG2 821 N N . GLU A 117 ? 0.8292 0.5748 0.6779 0.1414 -0.0358 0.1097 216 GLU A N 822 C CA . GLU A 117 ? 0.8526 0.5400 0.6965 0.1318 -0.0149 0.1104 216 GLU A CA 823 C C . GLU A 117 ? 0.9600 0.5596 0.7408 0.1571 -0.0057 0.1341 216 GLU A C 824 O O . GLU A 117 ? 0.9931 0.5640 0.7227 0.1704 -0.0041 0.1549 216 GLU A O 825 C CB . GLU A 117 ? 0.8078 0.4941 0.6718 0.0893 0.0111 0.1032 216 GLU A CB 826 C CG . GLU A 117 ? 0.7552 0.5134 0.6747 0.0696 0.0035 0.0778 216 GLU A CG 827 C CD . GLU A 117 ? 0.7275 0.5061 0.6623 0.0369 0.0181 0.0693 216 GLU A CD 828 O OE1 . GLU A 117 ? 0.7028 0.5400 0.6654 0.0290 0.0071 0.0556 216 GLU A OE1 829 O OE2 . GLU A 117 ? 0.7248 0.4598 0.6430 0.0199 0.0421 0.0752 216 GLU A OE2 830 N N . ASN A 118 ? 1.0190 0.5719 0.7988 0.1662 0.0010 0.1310 217 ASN A N 831 C CA . ASN A 118 ? 1.1532 0.6053 0.8688 0.1887 0.0160 0.1543 217 ASN A CA 832 C C . ASN A 118 ? 1.2237 0.6165 0.9413 0.1480 0.0588 0.1553 217 ASN A C 833 O O . ASN A 118 ? 1.2160 0.6169 0.9811 0.1280 0.0672 0.1329 217 ASN A O 834 C CB . ASN A 118 ? 1.1875 0.6220 0.9020 0.2276 -0.0040 0.1472 217 ASN A CB 835 C CG . ASN A 118 ? 1.3141 0.6354 0.9483 0.2636 0.0064 0.1744 217 ASN A CG 836 O OD1 . ASN A 118 ? 1.3671 0.6695 0.9876 0.3059 -0.0146 0.1711 217 ASN A OD1 837 N ND2 . ASN A 118 ? 1.3455 0.5892 0.9235 0.2487 0.0403 0.2006 217 ASN A ND2 838 N N . PRO A 119 ? 1.3068 0.6423 0.9750 0.1352 0.0875 0.1778 218 PRO A N 839 C CA . PRO A 119 ? 1.3716 0.6477 1.0420 0.0930 0.1354 0.1765 218 PRO A CA 840 C C . PRO A 119 ? 1.4611 0.6499 1.1217 0.0952 0.1586 0.1759 218 PRO A C 841 O O . PRO A 119 ? 1.4910 0.6582 1.1882 0.0540 0.1934 0.1575 218 PRO A O 842 C CB . PRO A 119 ? 1.4654 0.6811 1.0602 0.0964 0.1588 0.2089 218 PRO A CB 843 C CG . PRO A 119 ? 1.4722 0.6829 1.0071 0.1550 0.1218 0.2311 218 PRO A CG 844 C CD . PRO A 119 ? 1.3586 0.6837 0.9640 0.1619 0.0775 0.2035 218 PRO A CD 845 N N . ARG A 120 ? 1.5220 0.6626 1.1366 0.1439 0.1393 0.1920 219 ARG A N 846 C CA . ARG A 120 ? 1.6040 0.6504 1.2007 0.1520 0.1607 0.1940 219 ARG A CA 847 C C . ARG A 120 ? 1.5395 0.6421 1.2167 0.1417 0.1453 0.1561 219 ARG A C 848 O O . ARG A 120 ? 1.5836 0.6282 1.2766 0.1251 0.1723 0.1439 219 ARG A O 849 C CB . ARG A 120 ? 1.7050 0.6714 1.2132 0.2152 0.1443 0.2254 219 ARG A CB 850 C CG . ARG A 120 ? 1.8145 0.7094 1.2254 0.2341 0.1607 0.2654 219 ARG A CG 851 C CD . ARG A 120 ? 1.9097 0.6935 1.2203 0.2980 0.1544 0.2965 219 ARG A CD 852 N N . LEU A 121 ? 1.4436 0.6560 1.1694 0.1514 0.1048 0.1366 220 LEU A N 853 C CA . LEU A 121 ? 1.3805 0.6542 1.1752 0.1469 0.0876 0.1017 220 LEU A CA 854 C C . LEU A 121 ? 1.2882 0.6482 1.1504 0.1034 0.0908 0.0728 220 LEU A C 855 O O . LEU A 121 ? 1.2562 0.6550 1.1182 0.0856 0.0922 0.0786 220 LEU A O 856 C CB . LEU A 121 ? 1.3476 0.6814 1.1477 0.1901 0.0435 0.0978 220 LEU A CB 857 C CG . LEU A 121 ? 1.4519 0.7240 1.1966 0.2455 0.0264 0.1152 220 LEU A CG 858 C CD1 . LEU A 121 ? 1.4168 0.7767 1.1862 0.2797 -0.0167 0.1009 220 LEU A CD1 859 C CD2 . LEU A 121 ? 1.5458 0.7413 1.2878 0.2536 0.0415 0.1079 220 LEU A CD2 860 N N . GLU A 122 ? 1.2558 0.6473 1.1728 0.0905 0.0897 0.0398 221 GLU A N 861 C CA . GLU A 122 ? 1.1781 0.6535 1.1529 0.0584 0.0874 0.0094 221 GLU A CA 862 C C . GLU A 122 ? 1.0763 0.6416 1.0643 0.0743 0.0537 0.0077 221 GLU A C 863 O O . GLU A 122 ? 1.0552 0.6346 1.0361 0.1063 0.0312 0.0119 221 GLU A O 864 C CB . GLU A 122 ? 1.1902 0.6707 1.2152 0.0425 0.0967 -0.0287 221 GLU A CB 865 C CG . GLU A 122 ? 1.2865 0.6785 1.3103 0.0187 0.1366 -0.0343 221 GLU A CG 866 C CD . GLU A 122 ? 1.3373 0.6976 1.3440 -0.0125 0.1682 -0.0210 221 GLU A CD 867 O OE1 . GLU A 122 ? 1.2640 0.6916 1.3085 -0.0398 0.1687 -0.0424 221 GLU A OE1 868 O OE2 . GLU A 122 ? 1.4180 0.6836 1.3696 -0.0074 0.1932 0.0104 221 GLU A OE2 869 N N . ARG A 123 ? 0.9998 0.6234 1.0078 0.0516 0.0525 -0.0005 222 ARG A N 870 C CA . ARG A 123 ? 0.9292 0.6301 0.9490 0.0615 0.0273 -0.0030 222 ARG A CA 871 C C . ARG A 123 ? 0.8976 0.6388 0.9488 0.0722 0.0144 -0.0280 222 ARG A C 872 O O . ARG A 123 ? 0.8870 0.6417 0.9672 0.0573 0.0214 -0.0554 222 ARG A O 873 C CB . ARG A 123 ? 0.8827 0.6285 0.9143 0.0367 0.0304 -0.0083 222 ARG A CB 874 C CG . ARG A 123 ? 0.9419 0.6559 0.9401 0.0285 0.0421 0.0172 222 ARG A CG 875 C CD . ARG A 123 ? 0.8824 0.6467 0.8934 0.0078 0.0416 0.0109 222 ARG A CD 876 N NE . ARG A 123 ? 0.9006 0.6709 0.9436 -0.0216 0.0600 -0.0168 222 ARG A NE 877 C CZ . ARG A 123 ? 0.9643 0.6881 1.0052 -0.0448 0.0895 -0.0178 222 ARG A CZ 878 N NH1 . ARG A 123 ? 0.9961 0.6528 0.9915 -0.0397 0.1055 0.0135 222 ARG A NH1 879 N NH2 . ARG A 123 ? 0.9476 0.6912 1.0307 -0.0721 0.1045 -0.0528 222 ARG A NH2 880 N N . PRO A 124 ? 0.8937 0.6553 0.9403 0.0996 -0.0037 -0.0223 223 PRO A N 881 C CA . PRO A 124 ? 0.8496 0.6478 0.9231 0.1097 -0.0119 -0.0459 223 PRO A CA 882 C C . PRO A 124 ? 0.7574 0.6199 0.8455 0.0980 -0.0156 -0.0580 223 PRO A C 883 O O . PRO A 124 ? 0.7023 0.5856 0.7803 0.0895 -0.0174 -0.0448 223 PRO A O 884 C CB . PRO A 124 ? 0.8723 0.6760 0.9385 0.1407 -0.0275 -0.0374 223 PRO A CB 885 C CG . PRO A 124 ? 0.8867 0.6949 0.9302 0.1430 -0.0336 -0.0141 223 PRO A CG 886 C CD . PRO A 124 ? 0.9178 0.6759 0.9382 0.1230 -0.0172 0.0005 223 PRO A CD 887 N N . TYR A 125 ? 0.7094 0.5991 0.8160 0.0999 -0.0161 -0.0828 224 TYR A N 888 C CA . TYR A 125 ? 0.6630 0.6042 0.7700 0.0956 -0.0186 -0.0915 224 TYR A CA 889 C C . TYR A 125 ? 0.6221 0.5935 0.7270 0.1105 -0.0229 -0.0849 224 TYR A C 890 O O . TYR A 125 ? 0.6074 0.5850 0.7239 0.1252 -0.0238 -0.0972 224 TYR A O 891 C CB . TYR A 125 ? 0.6732 0.6318 0.7926 0.0949 -0.0172 -0.1227 224 TYR A CB 892 C CG . TYR A 125 ? 0.6592 0.6611 0.7636 0.0980 -0.0198 -0.1278 224 TYR A CG 893 C CD1 . TYR A 125 ? 0.6808 0.6954 0.7744 0.0872 -0.0216 -0.1249 224 TYR A CD1 894 C CD2 . TYR A 125 ? 0.6592 0.6852 0.7556 0.1133 -0.0184 -0.1341 224 TYR A CD2 895 C CE1 . TYR A 125 ? 0.6658 0.7097 0.7354 0.0952 -0.0240 -0.1265 224 TYR A CE1 896 C CE2 . TYR A 125 ? 0.6420 0.6944 0.7122 0.1183 -0.0160 -0.1342 224 TYR A CE2 897 C CZ . TYR A 125 ? 0.6782 0.7362 0.7323 0.1108 -0.0199 -0.1291 224 TYR A CZ 898 O OH . TYR A 125 ? 0.6608 0.7347 0.6797 0.1206 -0.0177 -0.1273 224 TYR A OH 899 N N . THR A 126 ? 0.5398 0.5305 0.6346 0.1056 -0.0237 -0.0689 225 THR A N 900 C CA . THR A 126 ? 0.5358 0.5594 0.6345 0.1130 -0.0216 -0.0679 225 THR A CA 901 C C . THR A 126 ? 0.5020 0.5444 0.5845 0.1012 -0.0162 -0.0596 225 THR A C 902 O O . THR A 126 ? 0.4927 0.5256 0.5633 0.0907 -0.0188 -0.0541 225 THR A O 903 C CB . THR A 126 ? 0.5396 0.5637 0.6487 0.1234 -0.0293 -0.0581 225 THR A CB 904 O OG1 . THR A 126 ? 0.5542 0.5655 0.6493 0.1150 -0.0340 -0.0391 225 THR A OG1 905 C CG2 . THR A 126 ? 0.6089 0.6074 0.7270 0.1427 -0.0374 -0.0646 225 THR A CG2 906 N N . PHE A 127 ? 0.4574 0.4562 0.4651 0.0356 -0.0226 -0.0293 226 PHE A N 907 C CA . PHE A 127 ? 0.4667 0.4823 0.4544 0.0284 0.0056 -0.0204 226 PHE A CA 908 C C . PHE A 127 ? 0.4552 0.4879 0.4871 0.0299 0.0058 -0.0476 226 PHE A C 909 O O . PHE A 127 ? 0.4379 0.4782 0.5406 0.0342 -0.0064 -0.0745 226 PHE A O 910 C CB . PHE A 127 ? 0.4416 0.4726 0.4288 0.0132 0.0280 -0.0126 226 PHE A CB 911 C CG . PHE A 127 ? 0.4888 0.5192 0.4907 0.0095 0.0391 -0.0391 226 PHE A CG 912 C CD1 . PHE A 127 ? 0.4677 0.5038 0.4782 0.0052 0.0713 -0.0566 226 PHE A CD1 913 C CD2 . PHE A 127 ? 0.5346 0.5464 0.5383 0.0121 0.0255 -0.0464 226 PHE A CD2 914 C CE1 . PHE A 127 ? 0.4686 0.4824 0.4782 0.0047 0.1057 -0.0792 226 PHE A CE1 915 C CE2 . PHE A 127 ? 0.5474 0.5365 0.5417 0.0143 0.0485 -0.0730 226 PHE A CE2 916 C CZ . PHE A 127 ? 0.5221 0.5080 0.5143 0.0112 0.0963 -0.0886 226 PHE A CZ 917 N N . LYS A 128 ? 0.4493 0.4883 0.4612 0.0263 0.0209 -0.0408 227 LYS A N 918 C CA . LYS A 128 ? 0.4862 0.5445 0.5553 0.0221 0.0303 -0.0612 227 LYS A CA 919 C C . LYS A 128 ? 0.4833 0.5529 0.5211 0.0066 0.0684 -0.0487 227 LYS A C 920 O O . LYS A 128 ? 0.5069 0.5691 0.4899 0.0052 0.0693 -0.0263 227 LYS A O 921 C CB . LYS A 128 ? 0.5319 0.5630 0.6043 0.0381 -0.0135 -0.0695 227 LYS A CB 922 C CG . LYS A 128 ? 0.6001 0.5943 0.7018 0.0562 -0.0719 -0.0875 227 LYS A CG 923 N N . ASP A 129 ? 0.4625 0.5399 0.5416 -0.0042 0.1031 -0.0628 228 ASP A N 924 C CA . ASP A 129 ? 0.4815 0.5454 0.5134 -0.0179 0.1344 -0.0516 228 ASP A CA 925 C C . ASP A 129 ? 0.4846 0.5617 0.5594 -0.0196 0.1311 -0.0542 228 ASP A C 926 O O . ASP A 129 ? 0.4539 0.5458 0.6288 -0.0177 0.1317 -0.0732 228 ASP A O 927 C CB . ASP A 129 ? 0.5459 0.5755 0.5566 -0.0271 0.1873 -0.0605 228 ASP A CB 928 C CG . ASP A 129 ? 0.6209 0.6113 0.5521 -0.0238 0.1777 -0.0568 228 ASP A CG 929 O OD1 . ASP A 129 ? 0.5227 0.5223 0.4352 -0.0201 0.1332 -0.0421 228 ASP A OD1 930 O OD2 . ASP A 129 ? 0.6861 0.6254 0.5736 -0.0235 0.2179 -0.0685 228 ASP A OD2 931 N N . PHE A 130 ? 0.4593 0.5284 0.4780 -0.0224 0.1226 -0.0372 229 PHE A N 932 C CA . PHE A 130 ? 0.4718 0.5453 0.5155 -0.0224 0.1130 -0.0384 229 PHE A CA 933 C C . PHE A 130 ? 0.5042 0.5550 0.5113 -0.0406 0.1456 -0.0274 229 PHE A C 934 O O . PHE A 130 ? 0.5286 0.5534 0.4604 -0.0449 0.1425 -0.0125 229 PHE A O 935 C CB . PHE A 130 ? 0.4446 0.5111 0.4412 -0.0053 0.0789 -0.0289 229 PHE A CB 936 C CG . PHE A 130 ? 0.4899 0.5394 0.4764 0.0164 0.0464 -0.0361 229 PHE A CG 937 C CD1 . PHE A 130 ? 0.4958 0.5405 0.4520 0.0203 0.0505 -0.0262 229 PHE A CD1 938 C CD2 . PHE A 130 ? 0.5368 0.5554 0.5328 0.0346 0.0025 -0.0525 229 PHE A CD2 939 C CE1 . PHE A 130 ? 0.5245 0.5305 0.4475 0.0408 0.0203 -0.0296 229 PHE A CE1 940 C CE2 . PHE A 130 ? 0.5808 0.5457 0.5289 0.0590 -0.0402 -0.0593 229 PHE A CE2 941 C CZ . PHE A 130 ? 0.6049 0.5615 0.5088 0.0616 -0.0264 -0.0459 229 PHE A CZ 942 N N . VAL A 131 ? 0.5239 0.5728 0.5916 -0.0511 0.1723 -0.0342 230 VAL A N 943 C CA . VAL A 131 ? 0.5819 0.5888 0.6021 -0.0687 0.2081 -0.0209 230 VAL A CA 944 C C . VAL A 131 ? 0.5849 0.5865 0.5545 -0.0660 0.1666 -0.0081 230 VAL A C 945 O O . VAL A 131 ? 0.5259 0.5577 0.5380 -0.0531 0.1295 -0.0144 230 VAL A O 946 C CB . VAL A 131 ? 0.5968 0.6063 0.7253 -0.0810 0.2510 -0.0276 230 VAL A CB 947 C CG1 . VAL A 131 ? 0.7211 0.6669 0.7744 -0.0996 0.2918 -0.0077 230 VAL A CG1 948 C CG2 . VAL A 131 ? 0.6729 0.6859 0.8838 -0.0834 0.3087 -0.0417 230 VAL A CG2 949 N N . LEU A 132 ? 0.6277 0.5756 0.5005 -0.0744 0.1672 0.0073 231 LEU A N 950 C CA . LEU A 132 ? 0.6261 0.5670 0.4751 -0.0719 0.1272 0.0174 231 LEU A CA 951 C C . LEU A 132 ? 0.6381 0.5633 0.5078 -0.0830 0.1376 0.0203 231 LEU A C 952 O O . LEU A 132 ? 0.6753 0.5515 0.5208 -0.0998 0.1838 0.0264 231 LEU A O 953 C CB . LEU A 132 ? 0.6822 0.5589 0.4418 -0.0753 0.1018 0.0298 231 LEU A CB 954 C CG . LEU A 132 ? 0.6599 0.5558 0.4313 -0.0640 0.0749 0.0297 231 LEU A CG 955 C CD1 . LEU A 132 ? 0.7386 0.5429 0.4220 -0.0680 0.0387 0.0368 231 LEU A CD1 956 C CD2 . LEU A 132 ? 0.5506 0.5052 0.3995 -0.0497 0.0534 0.0319 231 LEU A CD2 957 N N . HIS A 133 ? 0.5612 0.5166 0.4710 -0.0723 0.1019 0.0168 232 HIS A N 958 C CA . HIS A 133 ? 0.5711 0.5174 0.5190 -0.0800 0.0983 0.0170 232 HIS A CA 959 C C . HIS A 133 ? 0.5998 0.5101 0.4986 -0.0817 0.0674 0.0282 232 HIS A C 960 O O . HIS A 133 ? 0.5882 0.5063 0.4703 -0.0681 0.0384 0.0289 232 HIS A O 961 C CB . HIS A 133 ? 0.5381 0.5265 0.5658 -0.0606 0.0668 -0.0022 232 HIS A CB 962 C CG . HIS A 133 ? 0.5505 0.5644 0.6525 -0.0570 0.0750 -0.0173 232 HIS A CG 963 N ND1 . HIS A 133 ? 0.5613 0.5793 0.7737 -0.0704 0.0914 -0.0240 232 HIS A ND1 964 C CD2 . HIS A 133 ? 0.5598 0.5925 0.6587 -0.0415 0.0663 -0.0272 232 HIS A CD2 965 C CE1 . HIS A 133 ? 0.5707 0.6121 0.8572 -0.0618 0.0858 -0.0406 232 HIS A CE1 966 N NE2 . HIS A 133 ? 0.5327 0.5792 0.7376 -0.0440 0.0677 -0.0426 232 HIS A NE2 967 N N . PRO A 134 ? 0.6641 0.5336 0.5593 -0.0982 0.0742 0.0372 233 PRO A N 968 C CA . PRO A 134 ? 0.7154 0.5463 0.5752 -0.0988 0.0343 0.0454 233 PRO A CA 969 C C . PRO A 134 ? 0.6431 0.5248 0.5665 -0.0744 -0.0054 0.0292 233 PRO A C 970 O O . PRO A 134 ? 0.6388 0.5612 0.6151 -0.0599 -0.0053 0.0132 233 PRO A O 971 C CB . PRO A 134 ? 0.7650 0.5398 0.6171 -0.1226 0.0609 0.0595 233 PRO A CB 972 C CG . PRO A 134 ? 0.8190 0.5901 0.6927 -0.1368 0.1308 0.0624 233 PRO A CG 973 C CD . PRO A 134 ? 0.6762 0.5301 0.6191 -0.1177 0.1244 0.0412 233 PRO A CD 974 N N . ARG A 135 ? 0.6624 0.5252 0.5747 -0.0666 -0.0418 0.0314 234 ARG A N 975 C CA . ARG A 135 ? 0.6343 0.5254 0.5941 -0.0402 -0.0658 0.0151 234 ARG A CA 976 C C . ARG A 135 ? 0.6856 0.5418 0.6555 -0.0472 -0.0965 0.0165 234 ARG A C 977 O O . ARG A 135 ? 0.6837 0.5494 0.6842 -0.0243 -0.1177 0.0002 234 ARG A O 978 C CB . ARG A 135 ? 0.6206 0.5277 0.6023 -0.0194 -0.0719 0.0122 234 ARG A CB 979 C CG . ARG A 135 ? 0.6721 0.5381 0.6628 -0.0291 -0.1115 0.0224 234 ARG A CG 980 C CD . ARG A 135 ? 0.6883 0.5785 0.7584 -0.0089 -0.1150 0.0182 234 ARG A CD 981 N NE . ARG A 135 ? 0.6972 0.5368 0.7971 -0.0180 -0.1754 0.0246 234 ARG A NE 982 C CZ . ARG A 135 ? 0.7048 0.5540 0.9197 -0.0042 -0.1978 0.0206 234 ARG A CZ 983 N NH1 . ARG A 135 ? 0.6453 0.5547 0.9533 0.0184 -0.1437 0.0141 234 ARG A NH1 984 N NH2 . ARG A 135 ? 0.7838 0.5685 1.0244 -0.0125 -0.2752 0.0237 234 ARG A NH2 985 N N . SER A 136 ? 0.7351 0.5341 0.6628 -0.0767 -0.0959 0.0363 235 SER A N 986 C CA . SER A 136 ? 0.8072 0.5614 0.7405 -0.0898 -0.1179 0.0435 235 SER A CA 987 C C . SER A 136 ? 0.8783 0.5586 0.7482 -0.1248 -0.0787 0.0703 235 SER A C 988 O O . SER A 136 ? 0.9206 0.5754 0.7266 -0.1345 -0.0401 0.0803 235 SER A O 989 C CB . SER A 136 ? 0.8477 0.5683 0.7748 -0.0799 -0.1731 0.0423 235 SER A CB 990 O OG . SER A 136 ? 0.9393 0.5869 0.7886 -0.0938 -0.1925 0.0599 235 SER A OG 991 N N . HIS A 137 ? 0.9473 0.5799 0.8268 -0.1421 -0.0816 0.0829 236 HIS A N 992 C CA . HIS A 137 ? 1.0572 0.5918 0.8597 -0.1750 -0.0259 0.1143 236 HIS A CA 993 C C . HIS A 137 ? 1.1828 0.5960 0.8081 -0.1812 -0.0378 0.1333 236 HIS A C 994 O O . HIS A 137 ? 1.3081 0.6104 0.8123 -0.2015 0.0217 0.1585 236 HIS A O 995 C CB . HIS A 137 ? 1.0974 0.5928 0.9471 -0.1924 -0.0307 0.1278 236 HIS A CB 996 C CG . HIS A 137 ? 1.1528 0.5792 0.9357 -0.1892 -0.1031 0.1336 236 HIS A CG 997 N ND1 . HIS A 137 ? 1.0551 0.5442 0.9100 -0.1617 -0.1772 0.1065 236 HIS A ND1 998 C CD2 . HIS A 137 ? 1.2283 0.5137 0.8739 -0.2076 -0.1138 0.1623 236 HIS A CD2 999 C CE1 . HIS A 137 ? 1.0717 0.4789 0.8666 -0.1645 -0.2335 0.1163 236 HIS A CE1 1000 N NE2 . HIS A 137 ? 1.2414 0.5197 0.9019 -0.1922 -0.2048 0.1504 236 HIS A NE2 1001 N N . LYS A 138 ? 1.1503 0.5719 0.7648 -0.1607 -0.1151 0.1197 237 LYS A N 1002 C CA . LYS A 138 ? 1.2738 0.5746 0.7485 -0.1601 -0.1652 0.1304 237 LYS A CA 1003 C C . LYS A 138 ? 1.2635 0.5669 0.6886 -0.1522 -0.1488 0.1250 237 LYS A C 1004 O O . LYS A 138 ? 1.3774 0.5411 0.6437 -0.1554 -0.1738 0.1373 237 LYS A O 1005 C CB . LYS A 138 ? 1.2548 0.5718 0.7976 -0.1406 -0.2623 0.1148 237 LYS A CB 1006 C CG . LYS A 138 ? 1.3626 0.6035 0.8848 -0.1492 -0.3084 0.1251 237 LYS A CG 1007 C CD . LYS A 138 ? 1.3350 0.6508 1.0002 -0.1244 -0.3781 0.0998 237 LYS A CD 1008 C CE . LYS A 138 ? 1.4774 0.6660 1.0890 -0.1272 -0.4717 0.1080 237 LYS A CE 1009 N NZ . LYS A 138 ? 1.6705 0.7265 1.1387 -0.1555 -0.4559 0.1394 237 LYS A NZ 1010 N N . SER A 139 ? 1.4701 0.5324 0.5696 -0.1731 -0.1657 0.0531 238 SER A N 1011 C CA . SER A 139 ? 1.3748 0.5240 0.5354 -0.1548 -0.1318 0.0442 238 SER A CA 1012 C C . SER A 139 ? 1.4574 0.5689 0.5503 -0.1852 -0.0755 0.0655 238 SER A C 1013 O O . SER A 139 ? 1.5157 0.6139 0.5945 -0.2307 -0.0287 0.0896 238 SER A O 1014 C CB . SER A 139 ? 1.2026 0.4933 0.5007 -0.1507 -0.1033 0.0375 238 SER A CB 1015 O OG . SER A 139 ? 1.1925 0.5053 0.5342 -0.1237 -0.1425 0.0199 238 SER A OG 1016 N N . ARG A 140 ? 1.4960 0.5852 0.5493 -0.1591 -0.0798 0.0554 239 ARG A N 1017 C CA . ARG A 140 ? 1.5665 0.6289 0.5571 -0.1750 -0.0215 0.0691 239 ARG A CA 1018 C C . ARG A 140 ? 1.4543 0.6334 0.5497 -0.1482 -0.0064 0.0523 239 ARG A C 1019 O O . ARG A 140 ? 1.4576 0.6229 0.5495 -0.1110 -0.0515 0.0331 239 ARG A O 1020 C CB . ARG A 140 ? 1.7550 0.6404 0.5595 -0.1660 -0.0510 0.0726 239 ARG A CB 1021 N N . VAL A 141 ? 1.3482 0.6392 0.5453 -0.1682 0.0513 0.0590 240 VAL A N 1022 C CA . VAL A 141 ? 1.2271 0.6364 0.5385 -0.1463 0.0599 0.0441 240 VAL A CA 1023 C C . VAL A 141 ? 1.2124 0.6533 0.5294 -0.1608 0.1286 0.0518 240 VAL A C 1024 O O . VAL A 141 ? 1.2283 0.6539 0.5281 -0.1963 0.1823 0.0692 240 VAL A O 1025 C CB . VAL A 141 ? 1.0996 0.6083 0.5333 -0.1483 0.0484 0.0391 240 VAL A CB 1026 C CG1 . VAL A 141 ? 1.0831 0.7027 0.6226 -0.1393 0.0722 0.0312 240 VAL A CG1 1027 C CG2 . VAL A 141 ? 1.1058 0.5909 0.5392 -0.1206 -0.0127 0.0246 240 VAL A CG2 1028 N N . LYS A 142 ? 1.1480 0.6302 0.4940 -0.1330 0.1276 0.0378 241 LYS A N 1029 C CA . LYS A 142 ? 1.1564 0.6728 0.5135 -0.1341 0.1857 0.0376 241 LYS A CA 1030 C C . LYS A 142 ? 1.0117 0.6289 0.4760 -0.1091 0.1713 0.0211 241 LYS A C 1031 O O . LYS A 142 ? 0.9499 0.5839 0.4484 -0.0879 0.1194 0.0108 241 LYS A O 1032 C CB . LYS A 142 ? 1.3042 0.6955 0.5052 -0.1203 0.1954 0.0384 241 LYS A CB 1033 C CG . LYS A 142 ? 1.5190 0.8105 0.6002 -0.1507 0.2515 0.0590 241 LYS A CG 1034 C CD . LYS A 142 ? 1.7117 0.8715 0.6216 -0.1304 0.2709 0.0575 241 LYS A CD 1035 C CE . LYS A 142 ? 1.8759 0.8746 0.6277 -0.1107 0.1930 0.0552 241 LYS A CE 1036 N NZ . LYS A 142 ? 2.0673 0.8960 0.6088 -0.0952 0.2133 0.0578 241 LYS A NZ 1037 N N . GLY A 143 ? 0.9523 0.6355 0.4759 -0.1127 0.2201 0.0184 242 GLY A N 1038 C CA . GLY A 143 ? 0.8978 0.6459 0.4881 -0.0872 0.2074 0.0033 242 GLY A CA 1039 C C . GLY A 143 ? 0.7695 0.6149 0.4837 -0.0885 0.1882 -0.0013 242 GLY A C 1040 O O . GLY A 143 ? 0.7300 0.6083 0.4971 -0.1101 0.1921 0.0050 242 GLY A O 1041 N N . TYR A 144 ? 0.7123 0.5897 0.4625 -0.0653 0.1634 -0.0121 243 TYR A N 1042 C CA . TYR A 144 ? 0.6190 0.5687 0.4615 -0.0630 0.1492 -0.0167 243 TYR A CA 1043 C C . TYR A 144 ? 0.5618 0.5087 0.4108 -0.0460 0.1116 -0.0196 243 TYR A C 1044 O O . TYR A 144 ? 0.5998 0.5076 0.4107 -0.0326 0.0944 -0.0227 243 TYR A O 1045 C CB . TYR A 144 ? 0.6324 0.6314 0.5284 -0.0542 0.1710 -0.0274 243 TYR A CB 1046 C CG . TYR A 144 ? 0.6699 0.6977 0.6047 -0.0708 0.2181 -0.0282 243 TYR A CG 1047 C CD1 . TYR A 144 ? 0.7823 0.7683 0.6526 -0.0738 0.2656 -0.0258 243 TYR A CD1 1048 C CD2 . TYR A 144 ? 0.6194 0.7096 0.6572 -0.0829 0.2158 -0.0322 243 TYR A CD2 1049 C CE1 . TYR A 144 ? 0.8140 0.8307 0.7320 -0.0924 0.3242 -0.0253 243 TYR A CE1 1050 C CE2 . TYR A 144 ? 0.7054 0.8340 0.8121 -0.1012 0.2614 -0.0345 243 TYR A CE2 1051 C CZ . TYR A 144 ? 0.7708 0.8683 0.8229 -0.1077 0.3232 -0.0300 243 TYR A CZ 1052 O OH . TYR A 144 ? 0.8150 0.9528 0.9432 -0.1289 0.3851 -0.0307 243 TYR A OH 1053 N N . LEU A 145 ? 0.5455 0.5272 0.4430 -0.0469 0.0991 -0.0189 244 LEU A N 1054 C CA . LEU A 145 ? 0.5102 0.4964 0.4254 -0.0345 0.0800 -0.0197 244 LEU A CA 1055 C C . LEU A 145 ? 0.4873 0.5026 0.4363 -0.0282 0.0791 -0.0238 244 LEU A C 1056 O O . LEU A 145 ? 0.5048 0.5400 0.4776 -0.0324 0.0796 -0.0261 244 LEU A O 1057 C CB . LEU A 145 ? 0.5051 0.4840 0.4212 -0.0367 0.0723 -0.0155 244 LEU A CB 1058 C CG . LEU A 145 ? 0.5451 0.5238 0.4807 -0.0267 0.0683 -0.0147 244 LEU A CG 1059 C CD1 . LEU A 145 ? 0.5093 0.4767 0.4621 -0.0190 0.0545 -0.0185 244 LEU A CD1 1060 C CD2 . LEU A 145 ? 0.5263 0.4913 0.4491 -0.0251 0.0706 -0.0137 244 LEU A CD2 1061 N N . ARG A 146 ? 0.4671 0.4766 0.4193 -0.0173 0.0697 -0.0261 245 ARG A N 1062 C CA . ARG A 146 ? 0.4443 0.4656 0.4165 -0.0092 0.0616 -0.0301 245 ARG A CA 1063 C C . ARG A 146 ? 0.4504 0.4585 0.4245 -0.0114 0.0546 -0.0209 245 ARG A C 1064 O O . ARG A 146 ? 0.4571 0.4542 0.4388 -0.0137 0.0557 -0.0144 245 ARG A O 1065 C CB . ARG A 146 ? 0.4511 0.4587 0.4141 0.0037 0.0530 -0.0373 245 ARG A CB 1066 C CG . ARG A 146 ? 0.4446 0.4561 0.4232 0.0152 0.0386 -0.0441 245 ARG A CG 1067 C CD . ARG A 146 ? 0.4808 0.4778 0.4426 0.0340 0.0335 -0.0575 245 ARG A CD 1068 N NE . ARG A 146 ? 0.4798 0.4945 0.4362 0.0397 0.0645 -0.0687 245 ARG A NE 1069 C CZ . ARG A 146 ? 0.4928 0.4895 0.4198 0.0596 0.0757 -0.0827 245 ARG A CZ 1070 N NH1 . ARG A 146 ? 0.5129 0.4721 0.4140 0.0780 0.0460 -0.0893 245 ARG A NH1 1071 N NH2 . ARG A 146 ? 0.5190 0.5317 0.4435 0.0615 0.1200 -0.0907 245 ARG A NH2 1072 N N . LEU A 147 ? 0.4438 0.4460 0.4116 -0.0103 0.0478 -0.0211 246 LEU A N 1073 C CA . LEU A 147 ? 0.4546 0.4212 0.3916 -0.0123 0.0503 -0.0104 246 LEU A CA 1074 C C . LEU A 147 ? 0.5130 0.4469 0.4254 -0.0051 0.0284 -0.0121 246 LEU A C 1075 O O . LEU A 147 ? 0.4880 0.4366 0.4222 0.0036 0.0052 -0.0259 246 LEU A O 1076 C CB . LEU A 147 ? 0.4895 0.4423 0.4001 -0.0147 0.0552 -0.0088 246 LEU A CB 1077 C CG . LEU A 147 ? 0.4649 0.4347 0.3864 -0.0199 0.0688 -0.0084 246 LEU A CG 1078 C CD1 . LEU A 147 ? 0.5214 0.4665 0.4097 -0.0197 0.0621 -0.0094 246 LEU A CD1 1079 C CD2 . LEU A 147 ? 0.5181 0.4855 0.4524 -0.0195 0.0884 -0.0020 246 LEU A CD2 1080 N N . LYS A 148 ? 0.4139 0.5548 0.3639 0.0892 0.0200 0.0508 247 LYS A N 1081 C CA . LYS A 148 ? 0.4312 0.5614 0.3881 0.1001 0.0128 0.0280 247 LYS A CA 1082 C C . LYS A 148 ? 0.4488 0.4917 0.4109 0.0765 0.0059 0.0265 247 LYS A C 1083 O O . LYS A 148 ? 0.4767 0.4681 0.4278 0.0740 0.0024 0.0172 247 LYS A O 1084 C CB . LYS A 148 ? 0.4642 0.5794 0.3923 0.1476 0.0000 -0.0108 247 LYS A CB 1085 C CG . LYS A 148 ? 0.5429 0.6193 0.4534 0.1711 -0.0152 -0.0318 247 LYS A CG 1086 C CD . LYS A 148 ? 0.7019 0.8903 0.6324 0.1856 -0.0111 -0.0283 247 LYS A CD 1087 C CE . LYS A 148 ? 0.7571 0.9086 0.6624 0.2206 -0.0297 -0.0507 247 LYS A CE 1088 N NZ . LYS A 148 ? 0.8066 1.0988 0.7393 0.2350 -0.0264 -0.0548 247 LYS A NZ 1089 N N . MET A 149 ? 0.4394 0.4894 0.4187 0.0634 0.0031 0.0302 248 MET A N 1090 C CA . MET A 149 ? 0.4386 0.4279 0.4219 0.0493 -0.0053 0.0252 248 MET A CA 1091 C C . MET A 149 ? 0.4525 0.4415 0.4274 0.0698 -0.0112 0.0094 248 MET A C 1092 O O . MET A 149 ? 0.4517 0.5059 0.4371 0.0831 -0.0122 0.0053 248 MET A O 1093 C CB . MET A 149 ? 0.4409 0.4236 0.4448 0.0156 -0.0121 0.0426 248 MET A CB 1094 C CG . MET A 149 ? 0.5056 0.4487 0.4930 0.0062 -0.0155 0.0599 248 MET A CG 1095 S SD . MET A 149 ? 0.6107 0.5034 0.5979 -0.0379 -0.0351 0.0868 248 MET A SD 1096 C CE . MET A 149 ? 0.7260 0.7147 0.7245 -0.0757 -0.0147 0.1263 248 MET A CE 1097 N N . THR A 150 ? 0.4925 0.4195 0.4423 0.0736 -0.0158 0.0015 249 THR A N 1098 C CA . THR A 150 ? 0.5095 0.4088 0.4291 0.0959 -0.0246 -0.0056 249 THR A CA 1099 C C . THR A 150 ? 0.5147 0.3814 0.4250 0.0774 -0.0248 -0.0008 249 THR A C 1100 O O . THR A 150 ? 0.5099 0.3787 0.4316 0.0551 -0.0197 0.0002 249 THR A O 1101 C CB . THR A 150 ? 0.6083 0.4460 0.4725 0.1234 -0.0350 -0.0143 249 THR A CB 1102 O OG1 . THR A 150 ? 0.6153 0.4041 0.4660 0.0944 -0.0321 -0.0121 249 THR A OG1 1103 C CG2 . THR A 150 ? 0.6255 0.5207 0.4918 0.1620 -0.0398 -0.0297 249 THR A CG2 1104 N N A TYR A 151 ? 0.5284 0.3865 0.4169 0.0942 -0.0319 -0.0009 250 TYR A N 1105 N N B TYR A 151 ? 0.5378 0.3919 0.4233 0.0945 -0.0319 -0.0004 250 TYR A N 1106 C CA A TYR A 151 ? 0.5430 0.3906 0.4132 0.0813 -0.0307 0.0065 250 TYR A CA 1107 C CA B TYR A 151 ? 0.5495 0.3961 0.4190 0.0816 -0.0307 0.0066 250 TYR A CA 1108 C C A TYR A 151 ? 0.6219 0.3943 0.4281 0.0668 -0.0302 0.0252 250 TYR A C 1109 C C B TYR A 151 ? 0.6301 0.4029 0.4327 0.0698 -0.0311 0.0262 250 TYR A C 1110 O O A TYR A 151 ? 0.7232 0.4253 0.4823 0.0884 -0.0423 0.0275 250 TYR A O 1111 O O B TYR A 151 ? 0.7099 0.4132 0.4594 0.0961 -0.0442 0.0308 250 TYR A O 1112 C CB A TYR A 151 ? 0.5373 0.4152 0.4052 0.1084 -0.0401 -0.0001 250 TYR A CB 1113 C CB B TYR A 151 ? 0.5498 0.4386 0.4307 0.1058 -0.0400 -0.0033 250 TYR A CB 1114 C CG A TYR A 151 ? 0.4955 0.4388 0.4227 0.1108 -0.0480 -0.0211 250 TYR A CG 1115 C CG B TYR A 151 ? 0.4904 0.4299 0.4290 0.0945 -0.0456 -0.0208 250 TYR A CG 1116 C CD1 A TYR A 151 ? 0.4605 0.4165 0.4236 0.0891 -0.0520 -0.0301 250 TYR A CD1 1117 C CD1 B TYR A 151 ? 0.4581 0.4048 0.4057 0.0823 -0.0472 -0.0271 250 TYR A CD1 1118 C CD2 A TYR A 151 ? 0.4769 0.4661 0.4169 0.1344 -0.0571 -0.0346 250 TYR A CD2 1119 C CD2 B TYR A 151 ? 0.4908 0.4703 0.4681 0.0947 -0.0542 -0.0328 250 TYR A CD2 1120 C CE1 A TYR A 151 ? 0.4878 0.4696 0.4924 0.0797 -0.0680 -0.0465 250 TYR A CE1 1121 C CE1 B TYR A 151 ? 0.5015 0.4571 0.4817 0.0807 -0.0644 -0.0461 250 TYR A CE1 1122 C CE2 A TYR A 151 ? 0.4962 0.5464 0.4910 0.1178 -0.0667 -0.0524 250 TYR A CE2 1123 C CE2 B TYR A 151 ? 0.4987 0.4885 0.5152 0.0717 -0.0674 -0.0443 250 TYR A CE2 1124 C CZ A TYR A 151 ? 0.4576 0.4888 0.4817 0.0847 -0.0735 -0.0555 250 TYR A CZ 1125 C CZ B TYR A 151 ? 0.4594 0.4183 0.4702 0.0699 -0.0760 -0.0514 250 TYR A CZ 1126 O OH A TYR A 151 ? 0.4437 0.5053 0.5104 0.0574 -0.0906 -0.0703 250 TYR A OH 1127 O OH B TYR A 151 ? 0.4924 0.4247 0.5210 0.0577 -0.1005 -0.0659 250 TYR A OH 1128 N N . LEU A 152 ? 0.6388 0.4275 0.4364 0.0303 -0.0208 0.0369 251 LEU A N 1129 C CA . LEU A 152 ? 0.7418 0.4661 0.4725 -0.0063 -0.0199 0.0655 251 LEU A CA 1130 C C . LEU A 152 ? 0.8485 0.5410 0.5248 0.0183 -0.0276 0.0856 251 LEU A C 1131 O O . LEU A 152 ? 0.8001 0.5669 0.5078 0.0513 -0.0275 0.0718 251 LEU A O 1132 C CB . LEU A 152 ? 0.7111 0.5170 0.4587 -0.0582 -0.0036 0.0707 251 LEU A CB 1133 C CG . LEU A 152 ? 0.6985 0.5119 0.4636 -0.0988 0.0010 0.0604 251 LEU A CG 1134 C CD1 . LEU A 152 ? 0.6622 0.5036 0.4835 -0.0618 -0.0018 0.0288 251 LEU A CD1 1135 C CD2 . LEU A 152 ? 0.7034 0.6307 0.4791 -0.1494 0.0163 0.0635 251 LEU A CD2 1136 N N . PRO A 153 ? 1.0144 0.5849 0.5998 0.0036 -0.0395 0.1176 252 PRO A N 1137 C CA . PRO A 153 ? 1.1048 0.6321 0.6160 0.0277 -0.0485 0.1461 252 PRO A CA 1138 C C . PRO A 153 ? 1.1134 0.7526 0.6348 -0.0054 -0.0272 0.1664 252 PRO A C 1139 O O . PRO A 153 ? 1.1428 0.8290 0.6501 0.0370 -0.0298 0.1681 252 PRO A O 1140 C CB . PRO A 153 ? 1.2841 0.6268 0.6808 0.0011 -0.0702 0.1831 252 PRO A CB 1141 C CG . PRO A 153 ? 1.2557 0.5694 0.6775 -0.0555 -0.0682 0.1733 252 PRO A CG 1142 C CD . PRO A 153 ? 1.1112 0.5621 0.6486 -0.0341 -0.0518 0.1272 252 PRO A CD 1143 O OXT . PRO A 153 ? 1.0877 0.7942 0.6324 -0.0684 -0.0087 0.1755 252 PRO A OXT 1144 N N . ALA B 3 ? 0.8920 0.9276 0.8550 -0.2703 0.1009 -0.2095 102 ALA B N 1145 C CA . ALA B 3 ? 0.8861 0.9007 0.8362 -0.2774 0.0922 -0.2016 102 ALA B CA 1146 C C . ALA B 3 ? 0.8558 0.8039 0.8586 -0.2233 0.0828 -0.1936 102 ALA B C 1147 O O . ALA B 3 ? 0.8495 0.7749 0.8420 -0.2230 0.0706 -0.1771 102 ALA B O 1148 C CB . ALA B 3 ? 0.9584 1.0051 0.8907 -0.3322 0.1254 -0.2633 102 ALA B CB 1149 N N . THR B 4 ? 0.8074 0.7289 0.8641 -0.1851 0.0846 -0.2011 103 THR B N 1150 C CA . THR B 4 ? 0.7762 0.6391 0.8794 -0.1461 0.0661 -0.1822 103 THR B CA 1151 C C . THR B 4 ? 0.7376 0.5922 0.8291 -0.1208 0.0426 -0.1306 103 THR B C 1152 O O . THR B 4 ? 0.7059 0.5232 0.8129 -0.1043 0.0234 -0.1049 103 THR B O 1153 C CB . THR B 4 ? 0.8013 0.6375 0.9959 -0.1289 0.0779 -0.2273 103 THR B CB 1154 O OG1 . THR B 4 ? 0.8854 0.6624 1.1235 -0.1108 0.0522 -0.2060 103 THR B OG1 1155 C CG2 . THR B 4 ? 0.7183 0.5648 0.9509 -0.1064 0.0783 -0.2280 103 THR B CG2 1156 N N . CYS B 5 ? 0.7136 0.6068 0.7783 -0.1263 0.0441 -0.1171 104 CYS B N 1157 C CA . CYS B 5 ? 0.6696 0.5622 0.7334 -0.1066 0.0290 -0.0801 104 CYS B CA 1158 C C . CYS B 5 ? 0.6551 0.5752 0.6937 -0.1220 0.0176 -0.0512 104 CYS B C 1159 O O . CYS B 5 ? 0.6596 0.6155 0.6802 -0.1453 0.0160 -0.0470 104 CYS B O 1160 C CB . CYS B 5 ? 0.6556 0.5664 0.7358 -0.0961 0.0371 -0.0892 104 CYS B CB 1161 S SG . CYS B 5 ? 0.6965 0.6103 0.7793 -0.0763 0.0236 -0.0512 104 CYS B SG 1162 N N . ALA B 6 ? 0.6010 0.5086 0.6475 -0.1155 0.0076 -0.0318 105 ALA B N 1163 C CA . ALA B 6 ? 0.5881 0.5216 0.6484 -0.1254 -0.0047 -0.0099 105 ALA B CA 1164 C C . ALA B 6 ? 0.5771 0.5278 0.6701 -0.1133 -0.0096 0.0056 105 ALA B C 1165 O O . ALA B 6 ? 0.5690 0.5457 0.6913 -0.1229 -0.0264 0.0273 105 ALA B O 1166 C CB . ALA B 6 ? 0.5732 0.4948 0.6447 -0.1279 -0.0050 -0.0105 105 ALA B CB 1167 N N . VAL B 7 ? 0.5246 0.4601 0.6211 -0.0956 0.0002 -0.0015 106 VAL B N 1168 C CA . VAL B 7 ? 0.4920 0.4423 0.6212 -0.0856 0.0002 0.0069 106 VAL B CA 1169 C C . VAL B 7 ? 0.5021 0.4435 0.6134 -0.0725 0.0072 0.0013 106 VAL B C 1170 O O . VAL B 7 ? 0.5264 0.4454 0.6264 -0.0670 0.0108 -0.0053 106 VAL B O 1171 C CB . VAL B 7 ? 0.5153 0.4678 0.6763 -0.0877 0.0095 -0.0023 106 VAL B CB 1172 C CG1 . VAL B 7 ? 0.4757 0.4447 0.6774 -0.0800 0.0155 -0.0037 106 VAL B CG1 1173 C CG2 . VAL B 7 ? 0.4926 0.4608 0.6965 -0.0994 0.0049 -0.0046 106 VAL B CG2 1174 N N . GLU B 8 ? 0.5061 0.4669 0.6192 -0.0728 0.0044 0.0078 107 GLU B N 1175 C CA . GLU B 8 ? 0.5035 0.4645 0.6112 -0.0608 0.0125 0.0000 107 GLU B CA 1176 C C . GLU B 8 ? 0.4903 0.4564 0.6235 -0.0502 0.0139 0.0089 107 GLU B C 1177 O O . GLU B 8 ? 0.4571 0.4348 0.6254 -0.0542 0.0094 0.0182 107 GLU B O 1178 C CB . GLU B 8 ? 0.5555 0.5437 0.6457 -0.0774 0.0126 -0.0018 107 GLU B CB 1179 C CG . GLU B 8 ? 0.6724 0.6711 0.7332 -0.1034 0.0176 -0.0197 107 GLU B CG 1180 C CD . GLU B 8 ? 0.7054 0.7462 0.7358 -0.1410 0.0177 -0.0198 107 GLU B CD 1181 O OE1 . GLU B 8 ? 0.7741 0.8285 0.8049 -0.1388 0.0318 -0.0379 107 GLU B OE1 1182 O OE2 . GLU B 8 ? 0.8221 0.8862 0.8274 -0.1796 0.0009 0.0010 107 GLU B OE2 1183 N N . VAL B 9 ? 0.4535 0.4132 0.5821 -0.0388 0.0198 0.0031 108 VAL B N 1184 C CA . VAL B 9 ? 0.4384 0.4085 0.5834 -0.0344 0.0243 0.0075 108 VAL B CA 1185 C C . VAL B 9 ? 0.4303 0.4153 0.5728 -0.0279 0.0257 0.0075 108 VAL B C 1186 O O . VAL B 9 ? 0.4406 0.4226 0.5756 -0.0218 0.0285 -0.0047 108 VAL B O 1187 C CB . VAL B 9 ? 0.4898 0.4474 0.6245 -0.0378 0.0249 0.0073 108 VAL B CB 1188 C CG1 . VAL B 9 ? 0.4818 0.4581 0.6277 -0.0438 0.0344 0.0061 108 VAL B CG1 1189 C CG2 . VAL B 9 ? 0.5033 0.4495 0.6266 -0.0558 0.0234 0.0064 108 VAL B CG2 1190 N N . PHE B 10 ? 0.4301 0.4324 0.5913 -0.0313 0.0237 0.0182 109 PHE B N 1191 C CA . PHE B 10 ? 0.4300 0.4507 0.5821 -0.0337 0.0242 0.0205 109 PHE B CA 1192 C C . PHE B 10 ? 0.4317 0.4565 0.5975 -0.0235 0.0319 0.0189 109 PHE B C 1193 O O . PHE B 10 ? 0.4502 0.4686 0.6321 -0.0215 0.0377 0.0157 109 PHE B O 1194 C CB . PHE B 10 ? 0.4402 0.4775 0.6028 -0.0548 0.0063 0.0452 109 PHE B CB 1195 C CG . PHE B 10 ? 0.4368 0.4779 0.5805 -0.0756 -0.0058 0.0527 109 PHE B CG 1196 C CD1 . PHE B 10 ? 0.5082 0.5705 0.6031 -0.1017 -0.0008 0.0408 109 PHE B CD1 1197 C CD2 . PHE B 10 ? 0.4781 0.5085 0.6553 -0.0751 -0.0180 0.0643 109 PHE B CD2 1198 C CE1 . PHE B 10 ? 0.5352 0.6069 0.6047 -0.1304 -0.0092 0.0440 109 PHE B CE1 1199 C CE2 . PHE B 10 ? 0.4747 0.5112 0.6321 -0.0976 -0.0315 0.0738 109 PHE B CE2 1200 C CZ . PHE B 10 ? 0.5281 0.5849 0.6257 -0.1269 -0.0275 0.0653 109 PHE B CZ 1201 N N . GLY B 11 ? 0.4238 0.4656 0.5797 -0.0249 0.0347 0.0174 110 GLY B N 1202 C CA . GLY B 11 ? 0.4435 0.4920 0.6107 -0.0177 0.0415 0.0168 110 GLY B CA 1203 C C . GLY B 11 ? 0.4620 0.5081 0.6234 -0.0057 0.0459 0.0041 110 GLY B C 1204 O O . GLY B 11 ? 0.4968 0.5507 0.6590 -0.0022 0.0487 -0.0114 110 GLY B O 1205 N N . LEU B 12 ? 0.4292 0.4692 0.5945 -0.0059 0.0453 0.0089 111 LEU B N 1206 C CA . LEU B 12 ? 0.4430 0.4796 0.6144 -0.0007 0.0355 0.0115 111 LEU B CA 1207 C C . LEU B 12 ? 0.4837 0.4975 0.6662 0.0049 0.0230 0.0102 111 LEU B C 1208 O O . LEU B 12 ? 0.4860 0.4841 0.6537 -0.0040 0.0205 0.0151 111 LEU B O 1209 C CB . LEU B 12 ? 0.4418 0.4834 0.6015 -0.0199 0.0324 0.0240 111 LEU B CB 1210 C CG . LEU B 12 ? 0.4529 0.5180 0.6116 -0.0282 0.0482 0.0184 111 LEU B CG 1211 C CD1 . LEU B 12 ? 0.4825 0.5599 0.6232 -0.0628 0.0539 0.0188 111 LEU B CD1 1212 C CD2 . LEU B 12 ? 0.4627 0.5440 0.6319 -0.0154 0.0459 0.0188 111 LEU B CD2 1213 N N . LEU B 13 ? 0.5361 0.5504 0.7573 0.0190 0.0177 -0.0024 112 LEU B N 1214 C CA . LEU B 13 ? 0.5857 0.5796 0.8390 0.0260 0.0107 -0.0151 112 LEU B CA 1215 C C . LEU B 13 ? 0.6098 0.5748 0.8940 0.0236 -0.0228 0.0133 112 LEU B C 1216 O O . LEU B 13 ? 0.5932 0.5318 0.9013 0.0248 -0.0348 0.0126 112 LEU B O 1217 C CB . LEU B 13 ? 0.6299 0.6448 0.9325 0.0360 0.0276 -0.0572 112 LEU B CB 1218 C CG . LEU B 13 ? 0.6623 0.7099 0.9184 0.0195 0.0549 -0.0789 112 LEU B CG 1219 C CD1 . LEU B 13 ? 0.7361 0.8163 1.0319 0.0116 0.0799 -0.1335 112 LEU B CD1 1220 C CD2 . LEU B 13 ? 0.6923 0.7286 0.8955 0.0041 0.0542 -0.0641 112 LEU B CD2 1221 N N . GLU B 14 ? 0.5999 0.5714 0.8820 0.0134 -0.0415 0.0420 113 GLU B N 1222 C CA . GLU B 14 ? 0.6647 0.6152 0.9640 -0.0057 -0.0837 0.0838 113 GLU B CA 1223 C C . GLU B 14 ? 0.6400 0.6025 0.8604 -0.0473 -0.0845 0.1094 113 GLU B C 1224 O O . GLU B 14 ? 0.6048 0.5948 0.7896 -0.0537 -0.0585 0.0963 113 GLU B O 1225 C CB . GLU B 14 ? 0.6839 0.6394 1.0628 0.0043 -0.1146 0.0999 113 GLU B CB 1226 C CG . GLU B 14 ? 0.7262 0.6844 1.2068 0.0418 -0.1033 0.0559 113 GLU B CG 1227 C CD . GLU B 14 ? 0.7469 0.7099 1.3349 0.0518 -0.1400 0.0728 113 GLU B CD 1228 O OE1 . GLU B 14 ? 0.8125 0.7478 1.4527 0.0384 -0.1955 0.1228 113 GLU B OE1 1229 O OE2 . GLU B 14 ? 0.7754 0.7711 1.3999 0.0684 -0.1183 0.0404 113 GLU B OE2 1230 N N . ASP B 15 ? 0.6970 0.6422 0.8958 -0.0822 -0.1137 0.1424 114 ASP B N 1231 C CA . ASP B 15 ? 0.7154 0.6834 0.8415 -0.1392 -0.1141 0.1613 114 ASP B CA 1232 C C . ASP B 15 ? 0.7385 0.7344 0.8601 -0.1646 -0.1327 0.1871 114 ASP B C 1233 O O . ASP B 15 ? 0.7567 0.7507 0.8789 -0.2053 -0.1826 0.2388 114 ASP B O 1234 C CB . ASP B 15 ? 0.7908 0.7395 0.8885 -0.1839 -0.1457 0.1946 114 ASP B CB 1235 C CG . ASP B 15 ? 0.8387 0.8196 0.8538 -0.2434 -0.1184 0.1810 114 ASP B CG 1236 O OD1 . ASP B 15 ? 0.8788 0.8990 0.8654 -0.2655 -0.0909 0.1615 114 ASP B OD1 1237 O OD2 . ASP B 15 ? 0.9653 0.9355 0.9515 -0.2701 -0.1201 0.1824 114 ASP B OD2 1238 N N . GLU B 16 ? 0.7364 0.7870 0.6992 0.1530 -0.0217 0.0328 115 GLU B N 1239 C CA . GLU B 16 ? 0.7168 0.8254 0.6975 0.1423 -0.0207 0.0558 115 GLU B CA 1240 C C . GLU B 16 ? 0.7047 0.7502 0.6759 0.1114 -0.0239 0.0611 115 GLU B C 1241 O O . GLU B 16 ? 0.7248 0.7216 0.6880 0.0919 -0.0155 0.0598 115 GLU B O 1242 C CB . GLU B 16 ? 0.6858 0.8995 0.7170 0.1236 -0.0145 0.0868 115 GLU B CB 1243 C CG . GLU B 16 ? 0.6639 0.9826 0.6945 0.1741 -0.0028 0.0917 115 GLU B CG 1244 C CD . GLU B 16 ? 0.6656 1.1290 0.7656 0.1578 0.0078 0.1536 115 GLU B CD 1245 O OE1 . GLU B 16 ? 0.7154 1.2863 0.8096 0.2047 0.0257 0.1676 115 GLU B OE1 1246 O OE2 . GLU B 16 ? 0.6241 1.1003 0.7891 0.1037 -0.0087 0.1926 115 GLU B OE2 1247 N N . GLU B 17 ? 0.7000 0.7594 0.6679 0.1174 -0.0380 0.0663 116 GLU B N 1248 C CA . GLU B 17 ? 0.6888 0.7065 0.6315 0.1108 -0.0488 0.0631 116 GLU B CA 1249 C C . GLU B 17 ? 0.6738 0.6838 0.6348 0.0829 -0.0634 0.0576 116 GLU B C 1250 O O . GLU B 17 ? 0.6532 0.7037 0.6708 0.0573 -0.0847 0.0687 116 GLU B O 1251 C CB . GLU B 17 ? 0.7340 0.7766 0.6735 0.1281 -0.0752 0.0614 116 GLU B CB 1252 C CG . GLU B 17 ? 0.7822 0.7884 0.6727 0.1480 -0.0925 0.0482 116 GLU B CG 1253 C CD . GLU B 17 ? 0.8660 0.8948 0.7483 0.1727 -0.1243 0.0411 116 GLU B CD 1254 O OE1 . GLU B 17 ? 0.8228 0.8466 0.6648 0.2056 -0.1086 0.0514 116 GLU B OE1 1255 O OE2 . GLU B 17 ? 0.9362 0.9867 0.8640 0.1562 -0.1720 0.0308 116 GLU B OE2 1256 N N . ASN B 18 ? 0.6621 0.6291 0.5822 0.0921 -0.0563 0.0487 117 ASN B N 1257 C CA . ASN B 18 ? 0.6618 0.6082 0.5851 0.0817 -0.0789 0.0328 117 ASN B CA 1258 C C . ASN B 18 ? 0.6019 0.5536 0.5633 0.0495 -0.0627 0.0426 117 ASN B C 1259 O O . ASN B 18 ? 0.6567 0.5867 0.6291 0.0387 -0.0864 0.0327 117 ASN B O 1260 C CB . ASN B 18 ? 0.6761 0.6187 0.6303 0.0752 -0.1413 0.0178 117 ASN B CB 1261 C CG . ASN B 18 ? 0.7477 0.6849 0.6552 0.1168 -0.1663 -0.0014 117 ASN B CG 1262 O OD1 . ASN B 18 ? 0.7629 0.7004 0.6026 0.1575 -0.1336 -0.0002 117 ASN B OD1 1263 N ND2 . ASN B 18 ? 0.7560 0.6981 0.7089 0.1066 -0.2267 -0.0094 117 ASN B ND2 1264 N N . SER B 19 ? 0.5358 0.5100 0.5119 0.0433 -0.0314 0.0566 118 SER B N 1265 C CA . SER B 19 ? 0.5089 0.4874 0.5037 0.0264 -0.0146 0.0601 118 SER B CA 1266 C C . SER B 19 ? 0.5336 0.4746 0.5002 0.0322 0.0038 0.0571 118 SER B C 1267 O O . SER B 19 ? 0.5530 0.4820 0.4942 0.0502 0.0121 0.0663 118 SER B O 1268 C CB . SER B 19 ? 0.5065 0.5230 0.5151 0.0372 -0.0014 0.0636 118 SER B CB 1269 O OG . SER B 19 ? 0.5535 0.5338 0.5375 0.0599 0.0014 0.0545 118 SER B OG 1270 N N . ARG B 20 ? 0.5291 0.4678 0.5082 0.0181 0.0104 0.0552 119 ARG B N 1271 C CA . ARG B 20 ? 0.5522 0.4800 0.5239 0.0202 0.0291 0.0627 119 ARG B CA 1272 C C . ARG B 20 ? 0.5418 0.4744 0.5434 0.0027 0.0332 0.0584 119 ARG B C 1273 O O . ARG B 20 ? 0.5120 0.4672 0.5269 -0.0025 0.0258 0.0532 119 ARG B O 1274 C CB . ARG B 20 ? 0.5430 0.4689 0.4840 0.0384 0.0224 0.0532 119 ARG B CB 1275 C CG . ARG B 20 ? 0.5829 0.5073 0.4777 0.0752 0.0061 0.0434 119 ARG B CG 1276 C CD . ARG B 20 ? 0.6868 0.6183 0.5333 0.1199 -0.0020 0.0269 119 ARG B CD 1277 N NE . ARG B 20 ? 0.6678 0.6587 0.5064 0.1405 0.0421 0.0673 119 ARG B NE 1278 C CZ . ARG B 20 ? 0.7311 0.7670 0.5313 0.1892 0.0514 0.0680 119 ARG B CZ 1279 N NH1 . ARG B 20 ? 0.7600 0.7616 0.5127 0.2291 0.0100 0.0139 119 ARG B NH1 1280 N NH2 . ARG B 20 ? 0.7210 0.8413 0.5385 0.2014 0.0954 0.1286 119 ARG B NH2 1281 N N . ILE B 21 ? 0.5041 0.4300 0.5231 -0.0034 0.0421 0.0687 120 ILE B N 1282 C CA . ILE B 21 ? 0.4857 0.4128 0.5286 -0.0126 0.0367 0.0566 120 ILE B CA 1283 C C . ILE B 21 ? 0.4926 0.4342 0.5358 -0.0182 0.0482 0.0620 120 ILE B C 1284 O O . ILE B 21 ? 0.5038 0.4601 0.5469 -0.0126 0.0612 0.0836 120 ILE B O 1285 C CB . ILE B 21 ? 0.5325 0.4291 0.6124 -0.0167 0.0165 0.0593 120 ILE B CB 1286 C CG1 . ILE B 21 ? 0.5264 0.3981 0.5952 0.0033 -0.0045 0.0444 120 ILE B CG1 1287 C CG2 . ILE B 21 ? 0.5106 0.4050 0.6109 -0.0174 -0.0014 0.0369 120 ILE B CG2 1288 C CD1 . ILE B 21 ? 0.6112 0.4233 0.7190 0.0068 -0.0506 0.0362 120 ILE B CD1 1289 N N . VAL B 22 ? 0.4665 0.4182 0.5079 -0.0208 0.0441 0.0491 121 VAL B N 1290 C CA . VAL B 22 ? 0.4674 0.4246 0.5067 -0.0206 0.0477 0.0490 121 VAL B CA 1291 C C . VAL B 22 ? 0.4478 0.4177 0.5143 -0.0271 0.0474 0.0447 121 VAL B C 1292 O O . VAL B 22 ? 0.4659 0.4420 0.5372 -0.0221 0.0364 0.0313 121 VAL B O 1293 C CB . VAL B 22 ? 0.4713 0.4220 0.5054 -0.0230 0.0308 0.0471 121 VAL B CB 1294 C CG1 . VAL B 22 ? 0.4532 0.4405 0.5097 -0.0310 0.0298 0.0592 121 VAL B CG1 1295 C CG2 . VAL B 22 ? 0.4611 0.4008 0.4873 -0.0140 0.0245 0.0411 121 VAL B CG2 1296 N N . ARG B 23 ? 0.4226 0.4069 0.5040 -0.0279 0.0552 0.0549 122 ARG B N 1297 C CA . ARG B 23 ? 0.4094 0.4066 0.5256 -0.0355 0.0463 0.0509 122 ARG B CA 1298 C C . ARG B 23 ? 0.4073 0.4155 0.5012 -0.0254 0.0498 0.0413 122 ARG B C 1299 O O . ARG B 23 ? 0.4338 0.4494 0.5114 -0.0126 0.0583 0.0474 122 ARG B O 1300 C CB . ARG B 23 ? 0.4210 0.4504 0.5862 -0.0458 0.0532 0.0868 122 ARG B CB 1301 C CG . ARG B 23 ? 0.4132 0.4536 0.6410 -0.0627 0.0294 0.0888 122 ARG B CG 1302 C CD . ARG B 23 ? 0.4360 0.5412 0.7362 -0.0781 0.0395 0.1497 122 ARG B CD 1303 N NE . ARG B 23 ? 0.4364 0.5486 0.7761 -0.0931 0.0411 0.1992 122 ARG B NE 1304 C CZ . ARG B 23 ? 0.5467 0.6112 0.9586 -0.1248 -0.0038 0.2132 122 ARG B CZ 1305 N NH1 . ARG B 23 ? 0.5597 0.5638 1.0017 -0.1350 -0.0595 0.1677 122 ARG B NH1 1306 N NH2 . ARG B 23 ? 0.5549 0.6298 1.0077 -0.1387 -0.0015 0.2717 122 ARG B NH2 1307 N N . VAL B 24 ? 0.3959 0.4114 0.4853 -0.0207 0.0397 0.0281 123 VAL B N 1308 C CA . VAL B 24 ? 0.3835 0.4128 0.4623 -0.0136 0.0398 0.0327 123 VAL B CA 1309 C C . VAL B 24 ? 0.3959 0.4483 0.4918 -0.0065 0.0330 0.0205 123 VAL B C 1310 O O . VAL B 24 ? 0.4029 0.4705 0.5015 0.0064 0.0168 0.0015 123 VAL B O 1311 C CB . VAL B 24 ? 0.3852 0.4408 0.4564 -0.0083 0.0371 0.0489 123 VAL B CB 1312 C CG1 . VAL B 24 ? 0.4267 0.5004 0.5032 -0.0059 0.0326 0.0734 123 VAL B CG1 1313 C CG2 . VAL B 24 ? 0.3733 0.4123 0.4459 -0.0209 0.0348 0.0652 123 VAL B CG2 1314 N N . ARG B 25 ? 0.3525 0.4124 0.4566 -0.0048 0.0385 0.0259 124 ARG B N 1315 C CA . ARG B 25 ? 0.3570 0.4459 0.4838 0.0011 0.0288 0.0175 124 ARG B CA 1316 C C . ARG B 25 ? 0.3746 0.4713 0.4737 0.0186 0.0278 0.0205 124 ARG B C 1317 O O . ARG B 25 ? 0.3904 0.4682 0.4739 0.0256 0.0301 0.0309 124 ARG B O 1318 C CB . ARG B 25 ? 0.3676 0.4894 0.5329 -0.0029 0.0368 0.0343 124 ARG B CB 1319 C CG . ARG B 25 ? 0.4645 0.6217 0.6770 -0.0057 0.0171 0.0292 124 ARG B CG 1320 C CD . ARG B 25 ? 0.6062 0.8266 0.8862 -0.0168 0.0249 0.0676 124 ARG B CD 1321 N NE . ARG B 25 ? 0.7125 0.9296 1.0725 -0.0535 -0.0013 0.0890 124 ARG B NE 1322 C CZ . ARG B 25 ? 0.7408 0.9837 1.1984 -0.0800 -0.0415 0.1049 124 ARG B CZ 1323 N NH1 . ARG B 25 ? 0.7474 1.0354 1.2262 -0.0703 -0.0504 0.0997 124 ARG B NH1 1324 N NH2 . ARG B 25 ? 0.7807 0.9994 1.3247 -0.1177 -0.0822 0.1291 124 ARG B NH2 1325 N N . VAL B 26 ? 0.3561 0.4021 0.4241 -0.0100 0.0286 -0.0025 125 VAL B N 1326 C CA . VAL B 26 ? 0.3605 0.4067 0.4243 -0.0061 0.0278 -0.0151 125 VAL B CA 1327 C C . VAL B 26 ? 0.3766 0.4335 0.4467 -0.0074 0.0322 -0.0183 125 VAL B C 1328 O O . VAL B 26 ? 0.3748 0.4311 0.4598 -0.0131 0.0320 -0.0190 125 VAL B O 1329 C CB . VAL B 26 ? 0.3733 0.4106 0.4469 -0.0055 0.0248 -0.0206 125 VAL B CB 1330 C CG1 . VAL B 26 ? 0.4026 0.4410 0.4698 -0.0031 0.0236 -0.0305 125 VAL B CG1 1331 C CG2 . VAL B 26 ? 0.3977 0.4313 0.4734 -0.0038 0.0208 -0.0139 125 VAL B CG2 1332 N N . ILE B 27 ? 0.3725 0.4396 0.4318 -0.0020 0.0359 -0.0199 126 ILE B N 1333 C CA . ILE B 27 ? 0.3592 0.4455 0.4287 -0.0023 0.0415 -0.0181 126 ILE B CA 1334 C C . ILE B 27 ? 0.3732 0.4630 0.4494 0.0007 0.0384 -0.0266 126 ILE B C 1335 O O . ILE B 27 ? 0.4115 0.5108 0.5042 -0.0061 0.0368 -0.0258 126 ILE B O 1336 C CB . ILE B 27 ? 0.3875 0.4876 0.4441 0.0053 0.0496 -0.0152 126 ILE B CB 1337 C CG1 . ILE B 27 ? 0.3942 0.4947 0.4415 0.0006 0.0525 -0.0042 126 ILE B CG1 1338 C CG2 . ILE B 27 ? 0.4028 0.5307 0.4754 0.0082 0.0565 -0.0131 126 ILE B CG2 1339 C CD1 . ILE B 27 ? 0.4364 0.5484 0.4616 0.0090 0.0615 -0.0032 126 ILE B CD1 1340 N N . ALA B 28 ? 0.3451 0.4261 0.4073 0.0094 0.0362 -0.0336 127 ALA B N 1341 C CA . ALA B 28 ? 0.3342 0.4194 0.4006 0.0138 0.0330 -0.0387 127 ALA B CA 1342 C C . ALA B 28 ? 0.3688 0.4346 0.4182 0.0195 0.0282 -0.0443 127 ALA B C 1343 O O . ALA B 28 ? 0.4005 0.4522 0.4337 0.0217 0.0279 -0.0454 127 ALA B O 1344 C CB . ALA B 28 ? 0.3314 0.4397 0.4057 0.0224 0.0390 -0.0360 127 ALA B CB 1345 N N . GLY B 29 ? 0.3558 0.4210 0.4081 0.0201 0.0231 -0.0468 128 GLY B N 1346 C CA . GLY B 29 ? 0.3972 0.4457 0.4350 0.0261 0.0184 -0.0494 128 GLY B CA 1347 C C . GLY B 29 ? 0.4095 0.4660 0.4504 0.0382 0.0187 -0.0489 128 GLY B C 1348 O O . GLY B 29 ? 0.3898 0.4687 0.4476 0.0380 0.0189 -0.0460 128 GLY B O 1349 N N . ILE B 30 ? 0.4287 0.4665 0.4541 0.0490 0.0181 -0.0517 129 ILE B N 1350 C CA . ILE B 30 ? 0.4209 0.4649 0.4502 0.0656 0.0201 -0.0512 129 ILE B CA 1351 C C . ILE B 30 ? 0.4609 0.4791 0.4783 0.0707 0.0113 -0.0509 129 ILE B C 1352 O O . ILE B 30 ? 0.4594 0.4454 0.4556 0.0703 0.0079 -0.0549 129 ILE B O 1353 C CB . ILE B 30 ? 0.4645 0.5071 0.4837 0.0795 0.0303 -0.0561 129 ILE B CB 1354 C CG1 . ILE B 30 ? 0.4979 0.5673 0.5281 0.0730 0.0392 -0.0529 129 ILE B CG1 1355 C CG2 . ILE B 30 ? 0.4822 0.5373 0.5105 0.1003 0.0351 -0.0553 129 ILE B CG2 1356 C CD1 . ILE B 30 ? 0.5636 0.6180 0.5774 0.0624 0.0392 -0.0549 129 ILE B CD1 1357 N N . GLY B 31 ? 0.4364 0.4675 0.4664 0.0734 0.0059 -0.0447 130 GLY B N 1358 C CA . GLY B 31 ? 0.4525 0.4600 0.4723 0.0795 -0.0029 -0.0409 130 GLY B CA 1359 C C . GLY B 31 ? 0.4644 0.4512 0.4702 0.0632 -0.0102 -0.0387 130 GLY B C 1360 O O . GLY B 31 ? 0.5034 0.4577 0.4927 0.0642 -0.0159 -0.0376 130 GLY B O 1361 N N . LEU B 32 ? 0.4434 0.4485 0.4559 0.0482 -0.0098 -0.0377 131 LEU B N 1362 C CA . LEU B 32 ? 0.4318 0.4262 0.4343 0.0338 -0.0140 -0.0346 131 LEU B CA 1363 C C . LEU B 32 ? 0.4929 0.4794 0.4885 0.0333 -0.0226 -0.0251 131 LEU B C 1364 O O . LEU B 32 ? 0.4819 0.4794 0.4842 0.0422 -0.0266 -0.0203 131 LEU B O 1365 C CB . LEU B 32 ? 0.4300 0.4463 0.4412 0.0224 -0.0097 -0.0373 131 LEU B CB 1366 C CG . LEU B 32 ? 0.4121 0.4357 0.4311 0.0211 -0.0022 -0.0436 131 LEU B CG 1367 C CD1 . LEU B 32 ? 0.4091 0.4473 0.4358 0.0111 0.0008 -0.0462 131 LEU B CD1 1368 C CD2 . LEU B 32 ? 0.4515 0.4547 0.4594 0.0195 -0.0021 -0.0446 131 LEU B CD2 1369 N N . ALA B 33 ? 0.4928 0.4635 0.4766 0.0220 -0.0260 -0.0200 132 ALA B N 1370 C CA . ALA B 33 ? 0.5548 0.5154 0.5293 0.0187 -0.0343 -0.0077 132 ALA B CA 1371 C C . ALA B 33 ? 0.5236 0.5122 0.5010 0.0148 -0.0351 -0.0035 132 ALA B C 1372 O O . ALA B 33 ? 0.5316 0.5400 0.5114 0.0061 -0.0291 -0.0089 132 ALA B O 1373 C CB . ALA B 33 ? 0.5822 0.5262 0.5460 0.0035 -0.0365 -0.0013 132 ALA B CB 1374 N N . LYS B 34 ? 0.5529 0.5414 0.5282 0.0217 -0.0434 0.0061 133 LYS B N 1375 C CA . LYS B 34 ? 0.5884 0.6010 0.5599 0.0157 -0.0476 0.0121 133 LYS B CA 1376 C C . LYS B 34 ? 0.6062 0.6181 0.5610 -0.0001 -0.0460 0.0192 133 LYS B C 1377 O O . LYS B 34 ? 0.6284 0.6184 0.5744 -0.0044 -0.0495 0.0303 133 LYS B O 1378 C CB . LYS B 34 ? 0.6216 0.6326 0.5946 0.0274 -0.0591 0.0247 133 LYS B CB 1379 C CG . LYS B 34 ? 0.6462 0.6891 0.6209 0.0249 -0.0654 0.0279 133 LYS B CG 1380 C CD . LYS B 34 ? 0.7488 0.7938 0.7293 0.0382 -0.0781 0.0427 133 LYS B CD 1381 C CE . LYS B 34 ? 0.8141 0.8736 0.8207 0.0552 -0.0770 0.0375 133 LYS B CE 1382 N NZ . LYS B 34 ? 0.8019 0.8982 0.8225 0.0482 -0.0753 0.0280 133 LYS B NZ 1383 N N . LYS B 35 ? 0.5563 0.5914 0.5065 -0.0088 -0.0402 0.0128 134 LYS B N 1384 C CA . LYS B 35 ? 0.5520 0.5936 0.4868 -0.0215 -0.0355 0.0190 134 LYS B CA 1385 C C . LYS B 35 ? 0.5681 0.6256 0.4848 -0.0256 -0.0415 0.0271 134 LYS B C 1386 O O . LYS B 35 ? 0.5948 0.6589 0.4949 -0.0354 -0.0382 0.0362 134 LYS B O 1387 C CB . LYS B 35 ? 0.5484 0.6035 0.4872 -0.0261 -0.0223 0.0047 134 LYS B CB 1388 C CG . LYS B 35 ? 0.5611 0.6047 0.5155 -0.0245 -0.0167 -0.0010 134 LYS B CG 1389 C CD . LYS B 35 ? 0.6459 0.6778 0.5975 -0.0329 -0.0175 0.0121 134 LYS B CD 1390 C CE . LYS B 35 ? 0.6466 0.6839 0.6104 -0.0371 -0.0090 0.0071 134 LYS B CE 1391 N NZ . LYS B 35 ? 0.6758 0.7074 0.6384 -0.0491 -0.0113 0.0219 134 LYS B NZ 1392 N N . ASP B 36 ? 0.5333 0.6010 0.4533 -0.0193 -0.0501 0.0243 135 ASP B N 1393 C CA . ASP B 36 ? 0.5603 0.6456 0.4620 -0.0238 -0.0590 0.0314 135 ASP B CA 1394 C C . ASP B 36 ? 0.5642 0.6535 0.4796 -0.0130 -0.0733 0.0381 135 ASP B C 1395 O O . ASP B 36 ? 0.5508 0.6347 0.4893 -0.0026 -0.0721 0.0320 135 ASP B O 1396 C CB . ASP B 36 ? 0.5405 0.6447 0.4314 -0.0309 -0.0532 0.0139 135 ASP B CB 1397 C CG . ASP B 36 ? 0.5752 0.6832 0.4880 -0.0263 -0.0529 -0.0026 135 ASP B CG 1398 O OD1 . ASP B 36 ? 0.5525 0.6516 0.4786 -0.0244 -0.0418 -0.0135 135 ASP B OD1 1399 O OD2 . ASP B 36 ? 0.5170 0.6388 0.4352 -0.0255 -0.0647 -0.0026 135 ASP B OD2 1400 N N . ILE B 37 ? 0.6131 0.7160 0.5149 -0.0151 -0.0863 0.0508 136 ILE B N 1401 C CA . ILE B 37 ? 0.6461 0.7550 0.5650 -0.0023 -0.1013 0.0628 136 ILE B CA 1402 C C . ILE B 37 ? 0.6501 0.7796 0.5947 0.0034 -0.1032 0.0502 136 ILE B C 1403 O O . ILE B 37 ? 0.6513 0.7855 0.6201 0.0184 -0.1096 0.0575 136 ILE B O 1404 C CB . ILE B 37 ? 0.7170 0.8390 0.6166 -0.0060 -0.1172 0.0823 136 ILE B CB 1405 C CG1 . ILE B 37 ? 0.7242 0.8716 0.5993 -0.0217 -0.1193 0.0724 136 ILE B CG1 1406 C CG2 . ILE B 37 ? 0.7419 0.8399 0.6232 -0.0087 -0.1176 0.1021 136 ILE B CG2 1407 C CD1 . ILE B 37 ? 0.7734 0.9470 0.6460 -0.0222 -0.1398 0.0836 136 ILE B CD1 1408 N N . LEU B 38 ? 0.6126 0.7542 0.5526 -0.0081 -0.0970 0.0321 137 LEU B N 1409 C CA . LEU B 38 ? 0.6102 0.7730 0.5724 -0.0084 -0.1004 0.0217 137 LEU B CA 1410 C C . LEU B 38 ? 0.5734 0.7257 0.5579 -0.0022 -0.0865 0.0100 137 LEU B C 1411 O O . LEU B 38 ? 0.5891 0.7580 0.5953 -0.0025 -0.0870 0.0032 137 LEU B O 1412 C CB . LEU B 38 ? 0.6025 0.7782 0.5445 -0.0258 -0.1035 0.0082 137 LEU B CB 1413 C CG . LEU B 38 ? 0.6089 0.7991 0.5237 -0.0339 -0.1189 0.0187 137 LEU B CG 1414 C CD1 . LEU B 38 ? 0.6722 0.8711 0.5644 -0.0510 -0.1223 0.0007 137 LEU B CD1 1415 C CD2 . LEU B 38 ? 0.6460 0.8582 0.5816 -0.0250 -0.1372 0.0383 137 LEU B CD2 1416 N N . GLY B 39 ? 0.5712 0.6973 0.5495 0.0015 -0.0751 0.0089 138 GLY B N 1417 C CA . GLY B 39 ? 0.5388 0.6531 0.5312 0.0051 -0.0621 -0.0024 138 GLY B CA 1418 C C . GLY B 39 ? 0.5420 0.6634 0.5330 -0.0067 -0.0559 -0.0185 138 GLY B C 1419 O O . GLY B 39 ? 0.5120 0.6343 0.5206 -0.0050 -0.0495 -0.0264 138 GLY B O 1420 N N . ALA B 40 ? 0.5439 0.6678 0.5117 -0.0181 -0.0572 -0.0234 139 ALA B N 1421 C CA . ALA B 40 ? 0.5305 0.6550 0.4921 -0.0284 -0.0522 -0.0407 139 ALA B CA 1422 C C . ALA B 40 ? 0.5166 0.6236 0.4763 -0.0276 -0.0363 -0.0500 139 ALA B C 1423 O O . ALA B 40 ? 0.5248 0.6276 0.4668 -0.0333 -0.0300 -0.0607 139 ALA B O 1424 C CB . ALA B 40 ? 0.5349 0.6680 0.4684 -0.0391 -0.0601 -0.0446 139 ALA B CB 1425 N N . SER B 41 ? 0.4875 0.5851 0.4644 -0.0198 -0.0300 -0.0461 140 SER B N 1426 C CA . SER B 41 ? 0.4744 0.5596 0.4534 -0.0193 -0.0174 -0.0529 140 SER B CA 1427 C C . SER B 41 ? 0.4671 0.5511 0.4558 -0.0227 -0.0140 -0.0657 140 SER B C 1428 O O . SER B 41 ? 0.4686 0.5602 0.4710 -0.0242 -0.0201 -0.0661 140 SER B O 1429 C CB . SER B 41 ? 0.4558 0.5302 0.4472 -0.0119 -0.0142 -0.0454 140 SER B CB 1430 O OG . SER B 41 ? 0.5153 0.5832 0.4955 -0.0115 -0.0165 -0.0343 140 SER B OG 1431 N N . ASP B 42 ? 0.4469 0.5217 0.4308 -0.0234 -0.0040 -0.0743 141 ASP B N 1432 C CA . ASP B 42 ? 0.4337 0.4998 0.4267 -0.0252 0.0001 -0.0852 141 ASP B CA 1433 C C . ASP B 42 ? 0.3968 0.4554 0.4032 -0.0188 0.0093 -0.0816 141 ASP B C 1434 O O . ASP B 42 ? 0.4168 0.4708 0.4199 -0.0157 0.0183 -0.0855 141 ASP B O 1435 C CB . ASP B 42 ? 0.4580 0.5168 0.4316 -0.0290 0.0036 -0.0996 141 ASP B CB 1436 C CG . ASP B 42 ? 0.5337 0.5994 0.4887 -0.0377 -0.0077 -0.1042 141 ASP B CG 1437 O OD1 . ASP B 42 ? 0.5149 0.5918 0.4793 -0.0426 -0.0198 -0.0981 141 ASP B OD1 1438 O OD2 . ASP B 42 ? 0.5710 0.6330 0.5008 -0.0392 -0.0041 -0.1144 141 ASP B OD2 1439 N N . PRO B 43 ? 0.3946 0.4543 0.4156 -0.0158 0.0072 -0.0736 142 PRO B N 1440 C CA . PRO B 43 ? 0.3674 0.4211 0.3966 -0.0111 0.0132 -0.0689 142 PRO B CA 1441 C C . PRO B 43 ? 0.3550 0.4011 0.3950 -0.0104 0.0187 -0.0730 142 PRO B C 1442 O O . PRO B 43 ? 0.3890 0.4318 0.4358 -0.0139 0.0170 -0.0768 142 PRO B O 1443 C CB . PRO B 43 ? 0.3926 0.4478 0.4278 -0.0074 0.0091 -0.0612 142 PRO B CB 1444 C CG . PRO B 43 ? 0.4020 0.4674 0.4361 -0.0079 0.0018 -0.0600 142 PRO B CG 1445 C CD . PRO B 43 ? 0.3743 0.4435 0.4035 -0.0155 -0.0004 -0.0681 142 PRO B CD 1446 N N . TYR B 44 ? 0.3604 0.4045 0.4036 -0.0067 0.0243 -0.0703 143 TYR B N 1447 C CA . TYR B 44 ? 0.3548 0.3924 0.4108 -0.0039 0.0280 -0.0693 143 TYR B CA 1448 C C . TYR B 44 ? 0.3626 0.4046 0.4236 -0.0017 0.0279 -0.0595 143 TYR B C 1449 O O . TYR B 44 ? 0.3847 0.4320 0.4390 -0.0033 0.0258 -0.0550 143 TYR B O 1450 C CB . TYR B 44 ? 0.3738 0.4047 0.4305 -0.0002 0.0347 -0.0780 143 TYR B CB 1451 C CG . TYR B 44 ? 0.4059 0.4474 0.4576 0.0041 0.0413 -0.0782 143 TYR B CG 1452 C CD1 . TYR B 44 ? 0.4067 0.4544 0.4413 0.0013 0.0421 -0.0832 143 TYR B CD1 1453 C CD2 . TYR B 44 ? 0.4126 0.4627 0.4779 0.0099 0.0464 -0.0707 143 TYR B CD2 1454 C CE1 . TYR B 44 ? 0.4603 0.5222 0.4902 0.0044 0.0501 -0.0812 143 TYR B CE1 1455 C CE2 . TYR B 44 ? 0.4247 0.4916 0.4895 0.0129 0.0536 -0.0685 143 TYR B CE2 1456 C CZ . TYR B 44 ? 0.4244 0.4970 0.4709 0.0101 0.0565 -0.0738 143 TYR B CZ 1457 O OH . TYR B 44 ? 0.4445 0.5377 0.4903 0.0122 0.0654 -0.0695 143 TYR B OH 1458 N N . VAL B 45 ? 0.3537 0.3924 0.4254 0.0005 0.0287 -0.0550 144 VAL B N 1459 C CA . VAL B 45 ? 0.3366 0.3804 0.4116 0.0007 0.0261 -0.0456 144 VAL B CA 1460 C C . VAL B 45 ? 0.3925 0.4410 0.4823 0.0059 0.0301 -0.0420 144 VAL B C 1461 O O . VAL B 45 ? 0.3892 0.4291 0.4871 0.0101 0.0330 -0.0438 144 VAL B O 1462 C CB . VAL B 45 ? 0.3433 0.3824 0.4153 -0.0008 0.0217 -0.0407 144 VAL B CB 1463 C CG1 . VAL B 45 ? 0.3842 0.4259 0.4526 -0.0030 0.0162 -0.0331 144 VAL B CG1 1464 C CG2 . VAL B 45 ? 0.3681 0.4050 0.4303 -0.0019 0.0203 -0.0446 144 VAL B CG2 1465 N N . ARG B 46 ? 0.3844 0.4216 0.4547 0.0322 -0.0222 -0.0667 145 ARG B N 1466 C CA . ARG B 46 ? 0.3889 0.4318 0.4485 0.0226 0.0002 -0.0559 145 ARG B CA 1467 C C . ARG B 46 ? 0.4004 0.4342 0.4694 0.0188 0.0092 -0.0497 145 ARG B C 1468 O O . ARG B 46 ? 0.3947 0.4143 0.4606 0.0213 -0.0044 -0.0438 145 ARG B O 1469 C CB . ARG B 46 ? 0.4045 0.4549 0.4268 0.0130 -0.0031 -0.0371 145 ARG B CB 1470 C CG . ARG B 46 ? 0.4375 0.5072 0.4599 0.0074 0.0166 -0.0369 145 ARG B CG 1471 C CD . ARG B 46 ? 0.5069 0.6110 0.4948 -0.0097 0.0176 -0.0254 145 ARG B CD 1472 N NE . ARG B 46 ? 0.5868 0.7258 0.5557 -0.0122 0.0116 -0.0375 145 ARG B NE 1473 C CZ . ARG B 46 ? 0.7058 0.8792 0.6274 -0.0372 0.0049 -0.0194 145 ARG B CZ 1474 N NH1 . ARG B 46 ? 0.7220 0.8950 0.6125 -0.0662 0.0021 0.0157 145 ARG B NH1 1475 N NH2 . ARG B 46 ? 0.7272 0.9390 0.6295 -0.0387 -0.0012 -0.0344 145 ARG B NH2 1476 N N . VAL B 47 ? 0.3550 0.3941 0.4357 0.0114 0.0249 -0.0509 146 VAL B N 1477 C CA . VAL B 47 ? 0.3520 0.3924 0.4334 0.0027 0.0334 -0.0442 146 VAL B CA 1478 C C . VAL B 47 ? 0.3710 0.3974 0.4407 -0.0007 0.0371 -0.0275 146 VAL B C 1479 O O . VAL B 47 ? 0.3778 0.3972 0.4565 -0.0015 0.0348 -0.0280 146 VAL B O 1480 C CB . VAL B 47 ? 0.3596 0.4220 0.4561 -0.0141 0.0427 -0.0515 146 VAL B CB 1481 C CG1 . VAL B 47 ? 0.3520 0.4345 0.4391 -0.0295 0.0521 -0.0463 146 VAL B CG1 1482 C CG2 . VAL B 47 ? 0.3535 0.4463 0.4753 -0.0092 0.0393 -0.0801 146 VAL B CG2 1483 N N . THR B 48 ? 0.3513 0.3735 0.4096 0.0001 0.0367 -0.0184 147 THR B N 1484 C CA . THR B 48 ? 0.3732 0.3915 0.4270 -0.0007 0.0382 -0.0090 147 THR B CA 1485 C C . THR B 48 ? 0.3844 0.3981 0.4342 -0.0075 0.0392 -0.0005 147 THR B C 1486 O O . THR B 48 ? 0.4002 0.4204 0.4465 -0.0083 0.0392 -0.0039 147 THR B O 1487 C CB . THR B 48 ? 0.4108 0.4366 0.4525 -0.0025 0.0360 -0.0026 147 THR B CB 1488 O OG1 . THR B 48 ? 0.4256 0.4687 0.4595 -0.0034 0.0351 -0.0075 147 THR B OG1 1489 C CG2 . THR B 48 ? 0.3718 0.4093 0.4175 -0.0048 0.0397 -0.0003 147 THR B CG2 1490 N N . LEU B 49 ? 0.3632 0.3653 0.4161 -0.0113 0.0333 0.0073 148 LEU B N 1491 C CA . LEU B 49 ? 0.3674 0.3644 0.4081 -0.0206 0.0283 0.0207 148 LEU B CA 1492 C C . LEU B 49 ? 0.3807 0.3783 0.4287 -0.0090 0.0238 0.0180 148 LEU B C 1493 O O . LEU B 49 ? 0.3859 0.3846 0.4543 0.0018 0.0165 0.0080 148 LEU B O 1494 C CB . LEU B 49 ? 0.4074 0.3780 0.4483 -0.0338 0.0102 0.0377 148 LEU B CB 1495 C CG . LEU B 49 ? 0.4167 0.3756 0.4348 -0.0500 -0.0048 0.0612 148 LEU B CG 1496 C CD1 . LEU B 49 ? 0.4678 0.4698 0.4548 -0.0724 0.0142 0.0635 148 LEU B CD1 1497 C CD2 . LEU B 49 ? 0.4647 0.3770 0.4842 -0.0663 -0.0395 0.0873 148 LEU B CD2 1498 N N . TYR B 50 ? 0.3761 0.3822 0.4147 -0.0114 0.0261 0.0196 149 TYR B N 1499 C CA . TYR B 50 ? 0.3604 0.3728 0.4100 -0.0056 0.0217 0.0167 149 TYR B CA 1500 C C . TYR B 50 ? 0.3918 0.4042 0.4311 -0.0091 0.0136 0.0214 149 TYR B C 1501 O O . TYR B 50 ? 0.3824 0.4016 0.4020 -0.0179 0.0155 0.0233 149 TYR B O 1502 C CB . TYR B 50 ? 0.3696 0.3940 0.4228 -0.0088 0.0288 0.0134 149 TYR B CB 1503 C CG . TYR B 50 ? 0.3537 0.3687 0.4022 -0.0120 0.0236 0.0130 149 TYR B CG 1504 C CD1 . TYR B 50 ? 0.3888 0.3968 0.4364 -0.0091 0.0209 0.0064 149 TYR B CD1 1505 C CD2 . TYR B 50 ? 0.3590 0.3740 0.4146 -0.0143 0.0149 0.0109 149 TYR B CD2 1506 C CE1 . TYR B 50 ? 0.3848 0.3859 0.4451 -0.0043 0.0052 -0.0077 149 TYR B CE1 1507 C CE2 . TYR B 50 ? 0.3786 0.3833 0.4432 -0.0121 0.0008 0.0001 149 TYR B CE2 1508 C CZ . TYR B 50 ? 0.3935 0.3908 0.4635 -0.0053 -0.0063 -0.0115 149 TYR B CZ 1509 O OH . TYR B 50 ? 0.4241 0.4117 0.5187 0.0038 -0.0307 -0.0342 149 TYR B OH 1510 N N . ASP B 51 ? 0.3831 0.4011 0.4382 -0.0032 0.0051 0.0174 150 ASP B N 1511 C CA . ASP B 51 ? 0.4368 0.4577 0.4866 -0.0039 -0.0060 0.0183 150 ASP B CA 1512 C C . ASP B 51 ? 0.4096 0.4474 0.4789 -0.0056 -0.0007 0.0078 150 ASP B C 1513 O O . ASP B 51 ? 0.3760 0.4328 0.4680 -0.0070 0.0034 0.0016 150 ASP B O 1514 C CB . ASP B 51 ? 0.4963 0.5053 0.5592 0.0053 -0.0302 0.0205 150 ASP B CB 1515 C CG . ASP B 51 ? 0.5814 0.5956 0.6431 0.0074 -0.0472 0.0194 150 ASP B CG 1516 O OD1 . ASP B 51 ? 0.5698 0.5994 0.6195 0.0009 -0.0384 0.0153 150 ASP B OD1 1517 O OD2 . ASP B 51 ? 0.7124 0.7142 0.7915 0.0186 -0.0759 0.0179 150 ASP B OD2 1518 N N . PRO B 52 ? 0.4299 0.4677 0.4937 -0.0090 -0.0037 0.0026 151 PRO B N 1519 C CA . PRO B 52 ? 0.4085 0.4486 0.4943 -0.0161 -0.0091 -0.0024 151 PRO B CA 1520 C C . PRO B 52 ? 0.4224 0.4850 0.5315 -0.0200 -0.0115 -0.0050 151 PRO B C 1521 O O . PRO B 52 ? 0.4244 0.5018 0.5508 -0.0379 -0.0080 -0.0013 151 PRO B O 1522 C CB . PRO B 52 ? 0.4083 0.4483 0.4935 -0.0110 -0.0218 -0.0195 151 PRO B CB 1523 C CG . PRO B 52 ? 0.4583 0.5062 0.5204 -0.0064 -0.0135 -0.0256 151 PRO B CG 1524 C CD . PRO B 52 ? 0.4482 0.4930 0.4897 -0.0094 -0.0048 -0.0044 151 PRO B CD 1525 N N . MET B 53 ? 0.3946 0.4642 0.5047 -0.0073 -0.0211 -0.0109 152 MET B N 1526 C CA . MET B 53 ? 0.4514 0.5504 0.5955 -0.0050 -0.0292 -0.0248 152 MET B CA 1527 C C . MET B 53 ? 0.4376 0.5682 0.6093 0.0004 -0.0234 -0.0383 152 MET B C 1528 O O . MET B 53 ? 0.4409 0.6146 0.6525 0.0036 -0.0291 -0.0614 152 MET B O 1529 C CB . MET B 53 ? 0.4707 0.5622 0.6097 0.0092 -0.0540 -0.0291 152 MET B CB 1530 C CG . MET B 53 ? 0.5314 0.6147 0.6456 0.0052 -0.0604 -0.0287 152 MET B CG 1531 S SD . MET B 53 ? 0.6380 0.7370 0.7896 -0.0069 -0.0618 -0.0448 152 MET B SD 1532 C CE . MET B 53 ? 0.5976 0.7000 0.7281 0.0021 -0.0816 -0.0617 152 MET B CE 1533 N N . ASN B 54 ? 0.4341 0.5536 0.5925 0.0035 -0.0143 -0.0328 153 ASN B N 1534 C CA . ASN B 54 ? 0.4824 0.6373 0.6733 0.0153 -0.0139 -0.0579 153 ASN B CA 1535 C C . ASN B 54 ? 0.4608 0.6341 0.6397 0.0036 0.0087 -0.0564 153 ASN B C 1536 O O . ASN B 54 ? 0.5259 0.7570 0.7346 0.0069 0.0157 -0.0867 153 ASN B O 1537 C CB . ASN B 54 ? 0.4895 0.6047 0.6891 0.0415 -0.0460 -0.0621 153 ASN B CB 1538 N N . GLY B 55 ? 0.4449 0.5783 0.5845 -0.0079 0.0172 -0.0283 154 GLY B N 1539 C CA . GLY B 55 ? 0.4306 0.5745 0.5549 -0.0177 0.0320 -0.0243 154 GLY B CA 1540 C C . GLY B 55 ? 0.4329 0.5449 0.5521 0.0008 0.0255 -0.0267 154 GLY B C 1541 O O . GLY B 55 ? 0.4149 0.4851 0.5279 0.0110 0.0103 -0.0175 154 GLY B O 1542 N N . VAL B 56 ? 0.4389 0.5756 0.5575 -0.0012 0.0357 -0.0370 155 VAL B N 1543 C CA . VAL B 56 ? 0.4122 0.5188 0.5259 0.0103 0.0304 -0.0376 155 VAL B CA 1544 C C . VAL B 56 ? 0.4174 0.5065 0.5651 0.0325 0.0060 -0.0568 155 VAL B C 1545 O O . VAL B 56 ? 0.4338 0.5617 0.6227 0.0473 -0.0041 -0.0913 155 VAL B O 1546 C CB . VAL B 56 ? 0.4066 0.5525 0.5145 0.0040 0.0434 -0.0501 155 VAL B CB 1547 C CG1 . VAL B 56 ? 0.4334 0.5457 0.5409 0.0156 0.0360 -0.0524 155 VAL B CG1 1548 C CG2 . VAL B 56 ? 0.5198 0.6696 0.5922 -0.0223 0.0539 -0.0231 155 VAL B CG2 1549 N N . LEU B 57 ? 0.4124 0.4461 0.5467 0.0319 -0.0081 -0.0359 156 LEU B N 1550 C CA . LEU B 57 ? 0.4589 0.4558 0.6224 0.0453 -0.0432 -0.0433 156 LEU B CA 1551 C C . LEU B 57 ? 0.4568 0.4567 0.6379 0.0518 -0.0446 -0.0626 156 LEU B C 1552 O O . LEU B 57 ? 0.4646 0.4757 0.6954 0.0742 -0.0685 -0.1013 156 LEU B O 1553 C CB . LEU B 57 ? 0.5288 0.4687 0.6596 0.0264 -0.0601 -0.0013 156 LEU B CB 1554 C CG . LEU B 57 ? 0.6331 0.5551 0.7527 0.0232 -0.0805 0.0164 156 LEU B CG 1555 C CD1 . LEU B 57 ? 0.6494 0.6014 0.7345 0.0109 -0.0493 0.0261 156 LEU B CD1 1556 C CD2 . LEU B 57 ? 0.7144 0.5776 0.8107 0.0017 -0.1161 0.0553 156 LEU B CD2 1557 N N . THR B 58 ? 0.4356 0.4283 0.5842 0.0356 -0.0241 -0.0432 157 THR B N 1558 C CA . THR B 58 ? 0.4488 0.4429 0.6139 0.0408 -0.0276 -0.0613 157 THR B CA 1559 C C . THR B 58 ? 0.4305 0.4410 0.5611 0.0274 0.0007 -0.0496 157 THR B C 1560 O O . THR B 58 ? 0.4130 0.4205 0.5132 0.0145 0.0153 -0.0265 157 THR B O 1561 C CB . THR B 58 ? 0.4939 0.4252 0.6769 0.0348 -0.0636 -0.0471 157 THR B CB 1562 O OG1 . THR B 58 ? 0.6099 0.5452 0.8263 0.0465 -0.0747 -0.0774 157 THR B OG1 1563 C CG2 . THR B 58 ? 0.4966 0.4031 0.6379 0.0023 -0.0533 -0.0038 157 THR B CG2 1564 N N . SER B 59 ? 0.3902 0.4185 0.5311 0.0336 0.0023 -0.0707 158 SER B N 1565 C CA . SER B 59 ? 0.4230 0.4560 0.5372 0.0233 0.0177 -0.0595 158 SER B CA 1566 C C . SER B 59 ? 0.4144 0.4376 0.5500 0.0260 0.0066 -0.0747 158 SER B C 1567 O O . SER B 59 ? 0.4132 0.4379 0.5850 0.0400 -0.0120 -0.1031 158 SER B O 1568 C CB . SER B 59 ? 0.4243 0.4987 0.5133 0.0214 0.0316 -0.0630 158 SER B CB 1569 O OG . SER B 59 ? 0.5399 0.6609 0.6431 0.0305 0.0304 -0.0963 158 SER B OG 1570 N N . VAL B 60 ? 0.3510 0.4679 0.6045 0.0059 0.0070 0.0259 159 VAL B N 1571 C CA . VAL B 60 ? 0.3885 0.4740 0.6159 0.0123 0.0200 0.0064 159 VAL B CA 1572 C C . VAL B 60 ? 0.4079 0.4861 0.6111 0.0012 0.0219 -0.0066 159 VAL B C 1573 O O . VAL B 60 ? 0.4072 0.4829 0.5989 -0.0119 0.0086 -0.0035 159 VAL B O 1574 C CB . VAL B 60 ? 0.4150 0.4712 0.6259 0.0105 0.0112 0.0078 159 VAL B CB 1575 C CG1 . VAL B 60 ? 0.5082 0.5361 0.7059 0.0123 0.0219 -0.0053 159 VAL B CG1 1576 C CG2 . VAL B 60 ? 0.5048 0.5678 0.7370 0.0216 0.0054 0.0241 159 VAL B CG2 1577 N N . GLN B 61 ? 0.3741 0.4427 0.5657 0.0080 0.0352 -0.0229 160 GLN B N 1578 C CA . GLN B 61 ? 0.3709 0.4378 0.5422 0.0000 0.0366 -0.0337 160 GLN B CA 1579 C C . GLN B 61 ? 0.3794 0.4184 0.5347 -0.0049 0.0347 -0.0468 160 GLN B C 1580 O O . GLN B 61 ? 0.3854 0.4048 0.5452 0.0012 0.0373 -0.0540 160 GLN B O 1581 C CB . GLN B 61 ? 0.3928 0.4780 0.5625 0.0132 0.0506 -0.0396 160 GLN B CB 1582 C CG . GLN B 61 ? 0.4751 0.5641 0.6237 0.0081 0.0522 -0.0476 160 GLN B CG 1583 C CD . GLN B 61 ? 0.4956 0.6108 0.6388 0.0261 0.0681 -0.0472 160 GLN B CD 1584 O OE1 . GLN B 61 ? 0.4260 0.5749 0.5926 0.0327 0.0767 -0.0266 160 GLN B OE1 1585 N NE2 . GLN B 61 ? 0.4957 0.5988 0.6081 0.0348 0.0711 -0.0676 160 GLN B NE2 1586 N N . THR B 62 ? 0.3733 0.4099 0.5138 -0.0154 0.0293 -0.0474 161 THR B N 1587 C CA . THR B 62 ? 0.3902 0.4130 0.5246 -0.0209 0.0290 -0.0545 161 THR B CA 1588 C C . THR B 62 ? 0.3953 0.4146 0.5256 -0.0200 0.0305 -0.0718 161 THR B C 1589 O O . THR B 62 ? 0.4074 0.4371 0.5296 -0.0118 0.0349 -0.0785 161 THR B O 1590 C CB . THR B 62 ? 0.3994 0.4270 0.5184 -0.0263 0.0255 -0.0504 161 THR B CB 1591 O OG1 . THR B 62 ? 0.3883 0.4261 0.4964 -0.0274 0.0246 -0.0563 161 THR B OG1 1592 C CG2 . THR B 62 ? 0.4329 0.4561 0.5407 -0.0230 0.0198 -0.0380 161 THR B CG2 1593 N N . LYS B 63 ? 0.4207 0.4281 0.5567 -0.0280 0.0255 -0.0769 162 LYS B N 1594 C CA . LYS B 63 ? 0.4624 0.4649 0.5904 -0.0298 0.0190 -0.0950 162 LYS B CA 1595 C C . LYS B 63 ? 0.4514 0.4769 0.5619 -0.0299 0.0199 -0.0955 162 LYS B C 1596 O O . LYS B 63 ? 0.4068 0.4451 0.5152 -0.0318 0.0229 -0.0823 162 LYS B O 1597 C CB . LYS B 63 ? 0.4985 0.4885 0.6468 -0.0442 0.0080 -0.0947 162 LYS B CB 1598 C CG . LYS B 63 ? 0.5805 0.5382 0.7480 -0.0457 0.0032 -0.0944 162 LYS B CG 1599 C CD . LYS B 63 ? 0.6579 0.6029 0.8542 -0.0654 -0.0127 -0.0914 162 LYS B CD 1600 C CE . LYS B 63 ? 0.7642 0.6947 0.9948 -0.0746 -0.0121 -0.0675 162 LYS B CE 1601 N NZ . LYS B 63 ? 0.7672 0.6754 0.9905 -0.0594 -0.0045 -0.0664 162 LYS B NZ 1602 N N . THR B 64 ? 0.4395 0.4655 0.5329 -0.0253 0.0154 -0.1116 163 THR B N 1603 C CA . THR B 64 ? 0.4059 0.4525 0.4823 -0.0244 0.0151 -0.1102 163 THR B CA 1604 C C . THR B 64 ? 0.4308 0.4825 0.5156 -0.0355 0.0027 -0.1121 163 THR B C 1605 O O . THR B 64 ? 0.4607 0.4986 0.5549 -0.0426 -0.0110 -0.1242 163 THR B O 1606 C CB . THR B 64 ? 0.4602 0.5098 0.5088 -0.0096 0.0174 -0.1238 163 THR B CB 1607 O OG1 . THR B 64 ? 0.4368 0.4939 0.4858 0.0026 0.0322 -0.1154 163 THR B OG1 1608 C CG2 . THR B 64 ? 0.4487 0.5190 0.4782 -0.0081 0.0156 -0.1202 163 THR B CG2 1609 N N . ILE B 65 ? 0.4074 0.4777 0.4913 -0.0367 0.0049 -0.0994 164 ILE B N 1610 C CA . ILE B 65 ? 0.4126 0.4990 0.5075 -0.0430 -0.0048 -0.0969 164 ILE B CA 1611 C C . ILE B 65 ? 0.4353 0.5329 0.5049 -0.0362 -0.0109 -0.1045 164 ILE B C 1612 O O . ILE B 65 ? 0.4270 0.5271 0.4757 -0.0271 -0.0022 -0.0993 164 ILE B O 1613 C CB . ILE B 65 ? 0.4014 0.5012 0.5061 -0.0406 0.0034 -0.0775 164 ILE B CB 1614 C CG1 . ILE B 65 ? 0.4207 0.5142 0.5459 -0.0445 0.0101 -0.0668 164 ILE B CG1 1615 C CG2 . ILE B 65 ? 0.3904 0.5171 0.5030 -0.0392 -0.0025 -0.0708 164 ILE B CG2 1616 C CD1 . ILE B 65 ? 0.4915 0.5945 0.6535 -0.0578 0.0034 -0.0604 164 ILE B CD1 1617 N N . LYS B 66 ? 0.4350 0.5394 0.5085 -0.0416 -0.0281 -0.1144 165 LYS B N 1618 C CA . LYS B 66 ? 0.4610 0.5754 0.5046 -0.0331 -0.0370 -0.1229 165 LYS B CA 1619 C C . LYS B 66 ? 0.4712 0.6126 0.5192 -0.0303 -0.0383 -0.1069 165 LYS B C 1620 O O . LYS B 66 ? 0.4642 0.6232 0.5444 -0.0381 -0.0449 -0.0976 165 LYS B O 1621 C CB . LYS B 66 ? 0.5179 0.6206 0.5558 -0.0383 -0.0621 -0.1457 165 LYS B CB 1622 C CG . LYS B 66 ? 0.6228 0.6934 0.6307 -0.0278 -0.0618 -0.1682 165 LYS B CG 1623 C CD . LYS B 66 ? 0.8183 0.8759 0.7917 -0.0218 -0.0888 -0.1948 165 LYS B CD 1624 C CE . LYS B 66 ? 0.9158 0.9282 0.8646 -0.0125 -0.0985 -0.2237 165 LYS B CE 1625 N NZ . LYS B 66 ? 0.9509 0.9381 0.8696 -0.0113 -0.1367 -0.2546 165 LYS B NZ 1626 N N . LYS B 67 ? 0.4383 0.5852 0.4571 -0.0178 -0.0315 -0.1005 166 LYS B N 1627 C CA . LYS B 67 ? 0.4426 0.6105 0.4584 -0.0111 -0.0365 -0.0875 166 LYS B CA 1628 C C . LYS B 67 ? 0.4222 0.5971 0.4643 -0.0100 -0.0297 -0.0709 166 LYS B C 1629 O O . LYS B 67 ? 0.4194 0.6191 0.4847 -0.0100 -0.0379 -0.0643 166 LYS B O 1630 C CB . LYS B 67 ? 0.4873 0.6737 0.5001 -0.0127 -0.0601 -0.0979 166 LYS B CB 1631 C CG . LYS B 67 ? 0.5692 0.7463 0.5361 -0.0035 -0.0673 -0.1156 166 LYS B CG 1632 C CD . LYS B 67 ? 0.6264 0.8111 0.5859 -0.0071 -0.0996 -0.1339 166 LYS B CD 1633 C CE . LYS B 67 ? 0.7382 0.8993 0.6467 0.0045 -0.1080 -0.1608 166 LYS B CE 1634 N NZ . LYS B 67 ? 0.7715 0.9407 0.6314 0.0280 -0.0875 -0.1509 166 LYS B NZ 1635 N N . SER B 68 ? 0.4282 0.5832 0.4650 -0.0063 -0.0157 -0.0632 167 SER B N 1636 C CA . SER B 68 ? 0.4256 0.5793 0.4735 0.0016 -0.0092 -0.0518 167 SER B CA 1637 C C . SER B 68 ? 0.4218 0.5437 0.4489 0.0084 -0.0030 -0.0462 167 SER B C 1638 O O . SER B 68 ? 0.4203 0.5256 0.4425 0.0002 -0.0002 -0.0494 167 SER B O 1639 C CB . SER B 68 ? 0.4433 0.6031 0.5181 -0.0056 -0.0046 -0.0521 167 SER B CB 1640 O OG . SER B 68 ? 0.4502 0.6136 0.5278 0.0088 0.0048 -0.0399 167 SER B OG 1641 N N . LEU B 69 ? 0.4245 0.5371 0.4408 0.0240 -0.0035 -0.0374 168 LEU B N 1642 C CA . LEU B 69 ? 0.4368 0.5085 0.4328 0.0311 -0.0046 -0.0344 168 LEU B CA 1643 C C . LEU B 69 ? 0.4205 0.4815 0.4116 0.0438 0.0009 -0.0373 168 LEU B C 1644 O O . LEU B 69 ? 0.4570 0.4783 0.4234 0.0540 -0.0043 -0.0392 168 LEU B O 1645 C CB . LEU B 69 ? 0.4608 0.5149 0.4393 0.0449 -0.0120 -0.0250 168 LEU B CB 1646 C CG . LEU B 69 ? 0.4909 0.5568 0.4684 0.0366 -0.0159 -0.0159 168 LEU B CG 1647 C CD1 . LEU B 69 ? 0.5901 0.6366 0.5526 0.0518 -0.0237 -0.0022 168 LEU B CD1 1648 C CD2 . LEU B 69 ? 0.5138 0.5704 0.4938 0.0190 -0.0145 -0.0127 168 LEU B CD2 1649 N N . ASN B 70 ? 0.3993 0.4950 0.4129 0.0437 0.0097 -0.0360 169 ASN B N 1650 C CA . ASN B 70 ? 0.4236 0.5202 0.4344 0.0569 0.0199 -0.0330 169 ASN B CA 1651 C C . ASN B 70 ? 0.4001 0.5189 0.4415 0.0375 0.0254 -0.0320 169 ASN B C 1652 O O . ASN B 70 ? 0.3920 0.5443 0.4591 0.0401 0.0343 -0.0206 169 ASN B O 1653 C CB . ASN B 70 ? 0.4583 0.5819 0.4713 0.0838 0.0288 -0.0217 169 ASN B CB 1654 C CG . ASN B 70 ? 0.4855 0.5744 0.4620 0.1084 0.0222 -0.0244 169 ASN B CG 1655 O OD1 . ASN B 70 ? 0.5349 0.5790 0.4724 0.1265 0.0195 -0.0317 169 ASN B OD1 1656 N ND2 . ASN B 70 ? 0.4985 0.6032 0.4850 0.1099 0.0164 -0.0191 169 ASN B ND2 1657 N N . PRO B 71 ? 0.4006 0.4998 0.4416 0.0194 0.0203 -0.0409 170 PRO B N 1658 C CA . PRO B 71 ? 0.3941 0.5050 0.4620 0.0023 0.0226 -0.0422 170 PRO B CA 1659 C C . PRO B 71 ? 0.3865 0.5007 0.4592 0.0092 0.0331 -0.0315 170 PRO B C 1660 O O . PRO B 71 ? 0.4251 0.5178 0.4677 0.0246 0.0354 -0.0311 170 PRO B O 1661 C CB . PRO B 71 ? 0.3905 0.4769 0.4485 -0.0084 0.0175 -0.0521 170 PRO B CB 1662 C CG . PRO B 71 ? 0.4062 0.4648 0.4354 0.0015 0.0128 -0.0508 170 PRO B CG 1663 C CD . PRO B 71 ? 0.4279 0.4934 0.4465 0.0159 0.0118 -0.0469 170 PRO B CD 1664 N N . LYS B 72 ? 0.3506 0.4899 0.4597 -0.0017 0.0372 -0.0217 171 LYS B N 1665 C CA . LYS B 72 ? 0.3742 0.5228 0.4922 0.0044 0.0498 -0.0044 171 LYS B CA 1666 C C . LYS B 72 ? 0.3998 0.5341 0.5388 -0.0156 0.0455 -0.0067 171 LYS B C 1667 O O . LYS B 72 ? 0.4265 0.5748 0.6059 -0.0332 0.0411 -0.0003 171 LYS B O 1668 C CB . LYS B 72 ? 0.3802 0.5766 0.5312 0.0110 0.0609 0.0198 171 LYS B CB 1669 C CG . LYS B 72 ? 0.4300 0.6399 0.5555 0.0401 0.0685 0.0234 171 LYS B CG 1670 C CD . LYS B 72 ? 0.4835 0.7525 0.6479 0.0513 0.0843 0.0539 171 LYS B CD 1671 C CE . LYS B 72 ? 0.6087 0.8954 0.7568 0.0797 0.0888 0.0556 171 LYS B CE 1672 N NZ . LYS B 72 ? 0.7252 0.9609 0.8030 0.1086 0.0885 0.0359 171 LYS B NZ 1673 N N . TRP B 73 ? 0.3715 0.4754 0.4853 -0.0130 0.0436 -0.0157 172 TRP B N 1674 C CA . TRP B 73 ? 0.3874 0.4752 0.5180 -0.0266 0.0400 -0.0185 172 TRP B CA 1675 C C . TRP B 73 ? 0.4085 0.5049 0.5603 -0.0275 0.0489 0.0037 172 TRP B C 1676 O O . TRP B 73 ? 0.4021 0.4926 0.5865 -0.0432 0.0445 0.0073 172 TRP B O 1677 C CB . TRP B 73 ? 0.3610 0.4229 0.4661 -0.0223 0.0354 -0.0291 172 TRP B CB 1678 C CG . TRP B 73 ? 0.3885 0.4443 0.4818 -0.0245 0.0281 -0.0442 172 TRP B CG 1679 C CD1 . TRP B 73 ? 0.4080 0.4636 0.5113 -0.0326 0.0244 -0.0562 172 TRP B CD1 1680 C CD2 . TRP B 73 ? 0.3716 0.4192 0.4386 -0.0168 0.0233 -0.0468 172 TRP B CD2 1681 N NE1 . TRP B 73 ? 0.4365 0.4925 0.5234 -0.0299 0.0215 -0.0616 172 TRP B NE1 1682 C CE2 . TRP B 73 ? 0.3834 0.4326 0.4523 -0.0231 0.0193 -0.0550 172 TRP B CE2 1683 C CE3 . TRP B 73 ? 0.4218 0.4562 0.4604 -0.0033 0.0202 -0.0434 172 TRP B CE3 1684 C CZ2 . TRP B 73 ? 0.4333 0.4748 0.4864 -0.0209 0.0130 -0.0542 172 TRP B CZ2 1685 C CZ3 . TRP B 73 ? 0.4743 0.4915 0.4935 -0.0010 0.0093 -0.0483 172 TRP B CZ3 1686 C CH2 . TRP B 73 ? 0.4305 0.4529 0.4619 -0.0122 0.0061 -0.0510 172 TRP B CH2 1687 N N . ASN B 74 ? 0.3930 0.4998 0.5231 -0.0086 0.0606 0.0194 173 ASN B N 1688 C CA . ASN B 74 ? 0.4200 0.5374 0.5630 -0.0050 0.0723 0.0458 173 ASN B CA 1689 C C . ASN B 74 ? 0.4233 0.5165 0.5821 -0.0176 0.0663 0.0466 173 ASN B C 1690 O O . ASN B 74 ? 0.4341 0.5342 0.6321 -0.0301 0.0694 0.0669 173 ASN B O 1691 C CB . ASN B 74 ? 0.4624 0.6205 0.6514 -0.0120 0.0826 0.0729 173 ASN B CB 1692 C CG . ASN B 74 ? 0.5630 0.7529 0.7311 0.0156 0.1023 0.0946 173 ASN B CG 1693 O OD1 . ASN B 74 ? 0.6136 0.8211 0.7705 0.0287 0.1053 0.0894 173 ASN B OD1 1694 N ND2 . ASN B 74 ? 0.5811 0.7754 0.7330 0.0311 0.1163 0.1174 173 ASN B ND2 1695 N N . GLU B 75 ? 0.4129 0.4786 0.5453 -0.0142 0.0568 0.0275 174 GLU B N 1696 C CA . GLU B 75 ? 0.4311 0.4744 0.5789 -0.0225 0.0503 0.0246 174 GLU B CA 1697 C C . GLU B 75 ? 0.4294 0.4632 0.5505 -0.0081 0.0502 0.0338 174 GLU B C 1698 O O . GLU B 75 ? 0.4864 0.5152 0.5709 0.0034 0.0437 0.0240 174 GLU B O 1699 C CB . GLU B 75 ? 0.4254 0.4538 0.5730 -0.0293 0.0398 -0.0021 174 GLU B CB 1700 C CG . GLU B 75 ? 0.4884 0.4949 0.6540 -0.0325 0.0356 -0.0057 174 GLU B CG 1701 C CD . GLU B 75 ? 0.4931 0.4901 0.6588 -0.0337 0.0299 -0.0295 174 GLU B CD 1702 O OE1 . GLU B 75 ? 0.4720 0.4772 0.6324 -0.0383 0.0275 -0.0426 174 GLU B OE1 1703 O OE2 . GLU B 75 ? 0.5169 0.5010 0.6870 -0.0268 0.0291 -0.0329 174 GLU B OE2 1704 N N . GLU B 76 ? 0.4288 0.4565 0.5682 -0.0093 0.0534 0.0526 175 GLU B N 1705 C CA . GLU B 76 ? 0.4497 0.4692 0.5653 0.0048 0.0505 0.0631 175 GLU B CA 1706 C C . GLU B 76 ? 0.4636 0.4642 0.5931 0.0010 0.0393 0.0516 175 GLU B C 1707 O O . GLU B 76 ? 0.4655 0.4534 0.6282 -0.0090 0.0393 0.0475 175 GLU B O 1708 C CB . GLU B 76 ? 0.4896 0.5173 0.6161 0.0097 0.0626 0.0977 175 GLU B CB 1709 C CG . GLU B 76 ? 0.6115 0.6583 0.6961 0.0319 0.0730 0.1153 175 GLU B CG 1710 C CD . GLU B 76 ? 0.6279 0.6952 0.7329 0.0352 0.0916 0.1575 175 GLU B CD 1711 O OE1 . GLU B 76 ? 0.6119 0.6661 0.7375 0.0308 0.0897 0.1757 175 GLU B OE1 1712 O OE2 . GLU B 76 ? 0.6988 0.7979 0.8015 0.0440 0.1090 0.1761 175 GLU B OE2 1713 N N . ILE B 77 ? 0.4410 0.4391 0.5452 0.0109 0.0279 0.0473 176 ILE B N 1714 C CA . ILE B 77 ? 0.4516 0.4427 0.5731 0.0119 0.0183 0.0447 176 ILE B CA 1715 C C . ILE B 77 ? 0.4561 0.4467 0.5555 0.0254 0.0091 0.0619 176 ILE B C 1716 O O . ILE B 77 ? 0.4878 0.4798 0.5468 0.0340 0.0013 0.0616 176 ILE B O 1717 C CB . ILE B 77 ? 0.4085 0.4059 0.5303 0.0075 0.0076 0.0257 176 ILE B CB 1718 C CG1 . ILE B 77 ? 0.4461 0.4461 0.5767 -0.0024 0.0155 0.0087 176 ILE B CG1 1719 C CG2 . ILE B 77 ? 0.4196 0.4214 0.5693 0.0116 0.0020 0.0290 176 ILE B CG2 1720 C CD1 . ILE B 77 ? 0.4501 0.4600 0.5778 -0.0067 0.0075 -0.0035 176 ILE B CD1 1721 N N . LEU B 78 ? 0.4077 0.3642 0.5687 -0.0401 -0.0175 0.0466 177 LEU B N 1722 C CA . LEU B 78 ? 0.4068 0.3800 0.5700 -0.0309 0.0023 0.0517 177 LEU B CA 1723 C C . LEU B 78 ? 0.4113 0.3763 0.5439 -0.0206 0.0105 0.0405 177 LEU B C 1724 O O . LEU B 78 ? 0.4233 0.3611 0.5352 -0.0194 0.0075 0.0304 177 LEU B O 1725 C CB . LEU B 78 ? 0.4230 0.3869 0.6014 -0.0355 0.0016 0.0623 177 LEU B CB 1726 C CG . LEU B 78 ? 0.4251 0.4092 0.6442 -0.0434 0.0063 0.0819 177 LEU B CG 1727 C CD1 . LEU B 78 ? 0.5051 0.5057 0.7596 -0.0509 -0.0016 0.0871 177 LEU B CD1 1728 C CD2 . LEU B 78 ? 0.4573 0.4213 0.6885 -0.0517 -0.0010 0.0916 177 LEU B CD2 1729 N N . PHE B 79 ? 0.3944 0.3805 0.5252 -0.0133 0.0216 0.0425 178 PHE B N 1730 C CA . PHE B 79 ? 0.4030 0.3875 0.5200 -0.0050 0.0271 0.0366 178 PHE B CA 1731 C C . PHE B 79 ? 0.4051 0.3996 0.5273 -0.0008 0.0304 0.0470 178 PHE B C 1732 O O . PHE B 79 ? 0.4060 0.4118 0.5255 -0.0025 0.0334 0.0545 178 PHE B O 1733 C CB . PHE B 79 ? 0.3659 0.3618 0.4735 -0.0031 0.0292 0.0305 178 PHE B CB 1734 C CG . PHE B 79 ? 0.3841 0.3667 0.4780 -0.0073 0.0242 0.0221 178 PHE B CG 1735 C CD1 . PHE B 79 ? 0.4157 0.4023 0.5165 -0.0132 0.0154 0.0242 178 PHE B CD1 1736 C CD2 . PHE B 79 ? 0.4120 0.3770 0.4861 -0.0049 0.0297 0.0141 178 PHE B CD2 1737 C CE1 . PHE B 79 ? 0.4217 0.3913 0.5053 -0.0188 0.0045 0.0193 178 PHE B CE1 1738 C CE2 . PHE B 79 ? 0.4634 0.4082 0.5106 -0.0104 0.0247 0.0077 178 PHE B CE2 1739 C CZ . PHE B 79 ? 0.4210 0.3669 0.4707 -0.0182 0.0088 0.0108 178 PHE B CZ 1740 N N . ARG B 80 ? 0.4244 0.4118 0.5519 0.0055 0.0303 0.0480 179 ARG B N 1741 C CA . ARG B 80 ? 0.4030 0.3978 0.5344 0.0086 0.0261 0.0598 179 ARG B CA 1742 C C . ARG B 80 ? 0.4024 0.4109 0.5339 0.0115 0.0239 0.0564 179 ARG B C 1743 O O . ARG B 80 ? 0.3928 0.4031 0.5371 0.0160 0.0292 0.0492 179 ARG B O 1744 C CB . ARG B 80 ? 0.4009 0.3825 0.5503 0.0141 0.0231 0.0666 179 ARG B CB 1745 C CG . ARG B 80 ? 0.4378 0.4239 0.5918 0.0158 0.0119 0.0827 179 ARG B CG 1746 C CD . ARG B 80 ? 0.4629 0.4358 0.6442 0.0233 0.0073 0.0911 179 ARG B CD 1747 N NE . ARG B 80 ? 0.5273 0.4800 0.7047 0.0188 0.0078 0.0966 179 ARG B NE 1748 C CZ . ARG B 80 ? 0.5378 0.4697 0.7241 0.0214 0.0137 0.0867 179 ARG B CZ 1749 N NH1 . ARG B 80 ? 0.5620 0.4881 0.7524 0.0297 0.0242 0.0696 179 ARG B NH1 1750 N NH2 . ARG B 80 ? 0.5447 0.4569 0.7308 0.0145 0.0097 0.0941 179 ARG B NH2 1751 N N . VAL B 81 ? 0.3953 0.4093 0.5098 0.0082 0.0172 0.0618 180 VAL B N 1752 C CA . VAL B 81 ? 0.3808 0.4032 0.4909 0.0073 0.0111 0.0575 180 VAL B CA 1753 C C . VAL B 81 ? 0.4251 0.4425 0.5194 0.0043 -0.0062 0.0675 180 VAL B C 1754 O O . VAL B 81 ? 0.4341 0.4398 0.5085 0.0026 -0.0098 0.0773 180 VAL B O 1755 C CB . VAL B 81 ? 0.3914 0.4144 0.4824 0.0043 0.0180 0.0474 180 VAL B CB 1756 C CG1 . VAL B 81 ? 0.3920 0.4147 0.4927 0.0044 0.0275 0.0400 180 VAL B CG1 1757 C CG2 . VAL B 81 ? 0.4030 0.4177 0.4648 0.0025 0.0219 0.0507 180 VAL B CG2 1758 N N . HIS B 82 ? 0.4128 0.4354 0.5133 0.0018 -0.0187 0.0663 181 HIS B N 1759 C CA . HIS B 82 ? 0.4794 0.4884 0.5508 -0.0049 -0.0412 0.0720 181 HIS B CA 1760 C C . HIS B 82 ? 0.4481 0.4437 0.4774 -0.0078 -0.0344 0.0585 181 HIS B C 1761 O O . HIS B 82 ? 0.4709 0.4733 0.5136 -0.0092 -0.0345 0.0503 181 HIS B O 1762 C CB . HIS B 82 ? 0.4804 0.5018 0.5929 -0.0077 -0.0627 0.0800 181 HIS B CB 1763 C CG . HIS B 82 ? 0.5257 0.5572 0.6830 -0.0029 -0.0716 0.0959 181 HIS B CG 1764 N ND1 . HIS B 82 ? 0.5794 0.5947 0.7163 -0.0036 -0.0850 0.1086 181 HIS B ND1 1765 C CD2 . HIS B 82 ? 0.5427 0.5969 0.7661 0.0038 -0.0675 0.1025 181 HIS B CD2 1766 C CE1 . HIS B 82 ? 0.6216 0.6493 0.8140 0.0029 -0.0920 0.1222 181 HIS B CE1 1767 N NE2 . HIS B 82 ? 0.5261 0.5781 0.7734 0.0087 -0.0792 0.1179 181 HIS B NE2 1768 N N . PRO B 83 ? 0.4812 0.4569 0.4627 -0.0075 -0.0243 0.0571 182 PRO B N 1769 C CA . PRO B 83 ? 0.5022 0.4672 0.4551 -0.0054 -0.0080 0.0432 182 PRO B CA 1770 C C . PRO B 83 ? 0.5174 0.4673 0.4522 -0.0096 -0.0239 0.0334 182 PRO B C 1771 O O . PRO B 83 ? 0.5082 0.4603 0.4500 -0.0066 -0.0133 0.0223 182 PRO B O 1772 C CB . PRO B 83 ? 0.5592 0.5002 0.4600 -0.0045 0.0054 0.0469 182 PRO B CB 1773 C CG . PRO B 83 ? 0.5589 0.5091 0.4786 -0.0057 0.0032 0.0637 182 PRO B CG 1774 C CD . PRO B 83 ? 0.5394 0.4999 0.4925 -0.0086 -0.0247 0.0698 182 PRO B CD 1775 N N . GLN B 84 ? 0.5417 0.4739 0.4558 -0.0176 -0.0526 0.0392 183 GLN B N 1776 C CA . GLN B 84 ? 0.6253 0.5357 0.5184 -0.0246 -0.0727 0.0303 183 GLN B CA 1777 C C . GLN B 84 ? 0.5886 0.5250 0.5428 -0.0300 -0.0880 0.0343 183 GLN B C 1778 O O . GLN B 84 ? 0.6482 0.5687 0.5941 -0.0373 -0.1045 0.0280 183 GLN B O 1779 C CB . GLN B 84 ? 0.6977 0.5660 0.5291 -0.0342 -0.1026 0.0339 183 GLN B CB 1780 C CG . GLN B 84 ? 0.8066 0.6346 0.5564 -0.0299 -0.0837 0.0266 183 GLN B CG 1781 C CD . GLN B 84 ? 0.8958 0.7226 0.6294 -0.0303 -0.0828 0.0433 183 GLN B CD 1782 O OE1 . GLN B 84 ? 0.8801 0.7440 0.6751 -0.0286 -0.0840 0.0572 183 GLN B OE1 1783 N NE2 . GLN B 84 ? 0.9586 0.7376 0.6049 -0.0324 -0.0794 0.0424 183 GLN B NE2 1784 N N . GLN B 85 ? 0.5524 0.5248 0.5659 -0.0266 -0.0807 0.0446 184 GLN B N 1785 C CA . GLN B 85 ? 0.5374 0.5358 0.6112 -0.0304 -0.0862 0.0503 184 GLN B CA 1786 C C . GLN B 85 ? 0.4751 0.4922 0.5720 -0.0237 -0.0570 0.0435 184 GLN B C 1787 O O . GLN B 85 ? 0.4665 0.4888 0.5814 -0.0280 -0.0560 0.0416 184 GLN B O 1788 C CB . GLN B 85 ? 0.5432 0.5644 0.6714 -0.0309 -0.0993 0.0684 184 GLN B CB 1789 C CG . GLN B 85 ? 0.6862 0.6885 0.7965 -0.0388 -0.1361 0.0806 184 GLN B CG 1790 C CD . GLN B 85 ? 0.7901 0.7716 0.8873 -0.0539 -0.1720 0.0814 184 GLN B CD 1791 O OE1 . GLN B 85 ? 0.8619 0.8307 0.9386 -0.0577 -0.1673 0.0681 184 GLN B OE1 1792 N NE2 . GLN B 85 ? 0.8382 0.8121 0.9476 -0.0637 -0.2124 0.0982 184 GLN B NE2 1793 N N . HIS B 86 ? 0.4480 0.4711 0.5414 -0.0152 -0.0362 0.0413 185 HIS B N 1794 C CA . HIS B 86 ? 0.3941 0.4288 0.5041 -0.0108 -0.0147 0.0366 185 HIS B CA 1795 C C . HIS B 86 ? 0.3960 0.4185 0.4801 -0.0105 -0.0080 0.0257 185 HIS B C 1796 O O . HIS B 86 ? 0.4097 0.4158 0.4630 -0.0096 -0.0109 0.0201 185 HIS B O 1797 C CB . HIS B 86 ? 0.3927 0.4322 0.5088 -0.0037 -0.0006 0.0383 185 HIS B CB 1798 C CG . HIS B 86 ? 0.4276 0.4790 0.5798 -0.0004 -0.0015 0.0484 185 HIS B CG 1799 N ND1 . HIS B 86 ? 0.4053 0.4536 0.5600 0.0045 -0.0014 0.0540 185 HIS B ND1 1800 C CD2 . HIS B 86 ? 0.5288 0.5953 0.7227 -0.0001 -0.0008 0.0556 185 HIS B CD2 1801 C CE1 . HIS B 86 ? 0.4271 0.4865 0.6234 0.0092 -0.0016 0.0629 185 HIS B CE1 1802 N NE2 . HIS B 86 ? 0.4450 0.5179 0.6688 0.0070 0.0005 0.0643 185 HIS B NE2 1803 N N . ARG B 87 ? 0.3359 0.3635 0.4314 -0.0107 0.0020 0.0237 186 ARG B N 1804 C CA . ARG B 87 ? 0.3576 0.3753 0.4391 -0.0099 0.0056 0.0167 186 ARG B CA 1805 C C . ARG B 87 ? 0.3582 0.3781 0.4434 -0.0085 0.0156 0.0170 186 ARG B C 1806 O O . ARG B 87 ? 0.3496 0.3741 0.4423 -0.0083 0.0226 0.0201 186 ARG B O 1807 C CB . ARG B 87 ? 0.3495 0.3606 0.4343 -0.0162 -0.0028 0.0166 186 ARG B CB 1808 C CG . ARG B 87 ? 0.3609 0.3585 0.4343 -0.0205 -0.0197 0.0141 186 ARG B CG 1809 C CD . ARG B 87 ? 0.3755 0.3622 0.4545 -0.0283 -0.0299 0.0143 186 ARG B CD 1810 N NE . ARG B 87 ? 0.3843 0.3564 0.4512 -0.0235 -0.0245 0.0074 186 ARG B NE 1811 C CZ . ARG B 87 ? 0.4237 0.3725 0.4678 -0.0175 -0.0264 -0.0035 186 ARG B CZ 1812 N NH1 . ARG B 87 ? 0.4418 0.3717 0.4579 -0.0175 -0.0342 -0.0105 186 ARG B NH1 1813 N NH2 . ARG B 87 ? 0.4126 0.3521 0.4594 -0.0112 -0.0210 -0.0071 186 ARG B NH2 1814 N N . LEU B 88 ? 0.3620 0.3750 0.4419 -0.0073 0.0149 0.0140 187 LEU B N 1815 C CA . LEU B 88 ? 0.3557 0.3631 0.4331 -0.0094 0.0153 0.0153 187 LEU B CA 1816 C C . LEU B 88 ? 0.3845 0.3807 0.4560 -0.0138 0.0079 0.0169 187 LEU B C 1817 O O . LEU B 88 ? 0.3941 0.3876 0.4722 -0.0116 0.0025 0.0156 187 LEU B O 1818 C CB . LEU B 88 ? 0.3877 0.3976 0.4745 -0.0064 0.0145 0.0158 187 LEU B CB 1819 C CG . LEU B 88 ? 0.3872 0.4036 0.4784 -0.0042 0.0208 0.0174 187 LEU B CG 1820 C CD1 . LEU B 88 ? 0.4129 0.4337 0.5227 -0.0036 0.0204 0.0213 187 LEU B CD1 1821 C CD2 . LEU B 88 ? 0.3927 0.4006 0.4748 -0.0069 0.0223 0.0169 187 LEU B CD2 1822 N N . LEU B 89 ? 0.3715 0.3559 0.4258 -0.0195 0.0089 0.0198 188 LEU B N 1823 C CA . LEU B 89 ? 0.3865 0.3540 0.4265 -0.0256 -0.0004 0.0245 188 LEU B CA 1824 C C . LEU B 89 ? 0.4364 0.3876 0.4606 -0.0289 -0.0117 0.0258 188 LEU B C 1825 O O . LEU B 89 ? 0.4490 0.3900 0.4526 -0.0306 -0.0060 0.0227 188 LEU B O 1826 C CB . LEU B 89 ? 0.4331 0.3926 0.4554 -0.0320 0.0111 0.0294 188 LEU B CB 1827 C CG . LEU B 89 ? 0.4212 0.3560 0.4155 -0.0407 0.0039 0.0374 188 LEU B CG 1828 C CD1 . LEU B 89 ? 0.4149 0.3491 0.4277 -0.0418 -0.0113 0.0416 188 LEU B CD1 1829 C CD2 . LEU B 89 ? 0.5168 0.4449 0.4923 -0.0462 0.0253 0.0433 188 LEU B CD2 1830 N N . PHE B 90 ? 0.3746 0.3876 0.3637 0.0229 0.0174 -0.0261 189 PHE B N 1831 C CA . PHE B 90 ? 0.3838 0.3904 0.3749 0.0101 0.0247 -0.0247 189 PHE B CA 1832 C C . PHE B 90 ? 0.3672 0.3881 0.3756 0.0010 0.0177 -0.0261 189 PHE B C 1833 O O . PHE B 90 ? 0.3834 0.4103 0.3985 0.0001 0.0089 -0.0275 189 PHE B O 1834 C CB . PHE B 90 ? 0.3564 0.3638 0.3471 0.0058 0.0290 -0.0259 189 PHE B CB 1835 C CG . PHE B 90 ? 0.3874 0.3770 0.3553 0.0110 0.0386 -0.0231 189 PHE B CG 1836 C CD1 . PHE B 90 ? 0.3743 0.3632 0.3342 0.0257 0.0338 -0.0230 189 PHE B CD1 1837 C CD2 . PHE B 90 ? 0.4060 0.3754 0.3556 -0.0006 0.0525 -0.0209 189 PHE B CD2 1838 C CE1 . PHE B 90 ? 0.4308 0.3977 0.3616 0.0326 0.0435 -0.0193 189 PHE B CE1 1839 C CE2 . PHE B 90 ? 0.4259 0.3685 0.3443 0.0016 0.0632 -0.0165 189 PHE B CE2 1840 C CZ . PHE B 90 ? 0.4580 0.3988 0.3656 0.0199 0.0591 -0.0150 189 PHE B CZ 1841 N N . GLU B 91 ? 0.3466 0.3666 0.3559 -0.0050 0.0212 -0.0255 190 GLU B N 1842 C CA . GLU B 91 ? 0.3491 0.3778 0.3681 -0.0132 0.0158 -0.0257 190 GLU B CA 1843 C C . GLU B 91 ? 0.3912 0.4173 0.4105 -0.0195 0.0195 -0.0281 190 GLU B C 1844 O O . GLU B 91 ? 0.3913 0.4089 0.4033 -0.0213 0.0268 -0.0287 190 GLU B O 1845 C CB . GLU B 91 ? 0.3789 0.4179 0.3994 -0.0141 0.0158 -0.0245 190 GLU B CB 1846 C CG . GLU B 91 ? 0.4029 0.4579 0.4282 -0.0123 0.0110 -0.0256 190 GLU B CG 1847 C CD . GLU B 91 ? 0.4598 0.5395 0.4890 -0.0117 0.0135 -0.0274 190 GLU B CD 1848 O OE1 . GLU B 91 ? 0.4793 0.5774 0.5162 -0.0253 0.0112 -0.0275 190 GLU B OE1 1849 O OE2 . GLU B 91 ? 0.4726 0.5518 0.4932 0.0022 0.0180 -0.0292 190 GLU B OE2 1850 N N . VAL B 92 ? 0.3613 0.3933 0.3852 -0.0209 0.0134 -0.0311 191 VAL B N 1851 C CA . VAL B 92 ? 0.3509 0.3912 0.3782 -0.0252 0.0150 -0.0371 191 VAL B CA 1852 C C . VAL B 92 ? 0.3842 0.4218 0.4081 -0.0264 0.0107 -0.0361 191 VAL B C 1853 O O . VAL B 92 ? 0.3733 0.4035 0.3907 -0.0242 0.0037 -0.0321 191 VAL B O 1854 C CB . VAL B 92 ? 0.3741 0.4307 0.4063 -0.0196 0.0093 -0.0444 191 VAL B CB 1855 C CG1 . VAL B 92 ? 0.3495 0.4276 0.3894 -0.0247 0.0106 -0.0544 191 VAL B CG1 1856 C CG2 . VAL B 92 ? 0.3592 0.4208 0.3926 -0.0179 0.0146 -0.0448 191 VAL B CG2 1857 N N . PHE B 93 ? 0.3703 0.4094 0.3939 -0.0315 0.0153 -0.0395 192 PHE B N 1858 C CA . PHE B 93 ? 0.3701 0.4069 0.3875 -0.0308 0.0119 -0.0386 192 PHE B CA 1859 C C . PHE B 93 ? 0.3920 0.4399 0.4117 -0.0323 0.0093 -0.0488 192 PHE B C 1860 O O . PHE B 93 ? 0.3906 0.4490 0.4181 -0.0396 0.0135 -0.0567 192 PHE B O 1861 C CB . PHE B 93 ? 0.4035 0.4332 0.4149 -0.0316 0.0187 -0.0349 192 PHE B CB 1862 C CG . PHE B 93 ? 0.4182 0.4500 0.4297 -0.0289 0.0201 -0.0282 192 PHE B CG 1863 C CD1 . PHE B 93 ? 0.3995 0.4276 0.4096 -0.0240 0.0244 -0.0279 192 PHE B CD1 1864 C CD2 . PHE B 93 ? 0.3916 0.4293 0.4011 -0.0321 0.0173 -0.0234 192 PHE B CD2 1865 C CE1 . PHE B 93 ? 0.4080 0.4474 0.4202 -0.0192 0.0240 -0.0252 192 PHE B CE1 1866 C CE2 . PHE B 93 ? 0.4012 0.4510 0.4145 -0.0339 0.0189 -0.0204 192 PHE B CE2 1867 C CZ . PHE B 93 ? 0.4073 0.4625 0.4248 -0.0257 0.0213 -0.0226 192 PHE B CZ 1868 N N . ASP B 94 ? 0.3951 0.4417 0.4059 -0.0269 0.0026 -0.0492 193 ASP B N 1869 C CA . ASP B 94 ? 0.3917 0.4525 0.4033 -0.0248 -0.0025 -0.0607 193 ASP B CA 1870 C C . ASP B 94 ? 0.4125 0.4645 0.4168 -0.0290 0.0021 -0.0606 193 ASP B C 1871 O O . ASP B 94 ? 0.4319 0.4729 0.4228 -0.0241 0.0017 -0.0531 193 ASP B O 1872 C CB . ASP B 94 ? 0.4140 0.4709 0.4099 -0.0101 -0.0148 -0.0609 193 ASP B CB 1873 C CG . ASP B 94 ? 0.4395 0.5178 0.4355 -0.0019 -0.0234 -0.0757 193 ASP B CG 1874 O OD1 . ASP B 94 ? 0.4132 0.5070 0.4208 -0.0120 -0.0191 -0.0849 193 ASP B OD1 1875 O OD2 . ASP B 94 ? 0.5024 0.5789 0.4820 0.0158 -0.0356 -0.0792 193 ASP B OD2 1876 N N . GLU B 95 ? 0.3962 0.4512 0.4054 -0.0391 0.0068 -0.0696 194 GLU B N 1877 C CA . GLU B 95 ? 0.3988 0.4382 0.3949 -0.0406 0.0099 -0.0711 194 GLU B CA 1878 C C . GLU B 95 ? 0.4409 0.4882 0.4294 -0.0322 0.0016 -0.0766 194 GLU B C 1879 O O . GLU B 95 ? 0.4796 0.5150 0.4533 -0.0270 0.0030 -0.0744 194 GLU B O 1880 C CB . GLU B 95 ? 0.4124 0.4413 0.4065 -0.0564 0.0160 -0.0804 194 GLU B CB 1881 C CG . GLU B 95 ? 0.4615 0.4605 0.4327 -0.0559 0.0187 -0.0823 194 GLU B CG 1882 C CD . GLU B 95 ? 0.5282 0.5058 0.4885 -0.0765 0.0236 -0.0927 194 GLU B CD 1883 O OE1 . GLU B 95 ? 0.5692 0.5622 0.5354 -0.0892 0.0193 -0.1072 194 GLU B OE1 1884 O OE2 . GLU B 95 ? 0.6169 0.5605 0.5590 -0.0809 0.0318 -0.0871 194 GLU B OE2 1885 N N . ASN B 96 ? 0.4304 0.4992 0.4255 -0.0272 -0.0077 -0.0849 195 ASN B N 1886 C CA . ASN B 96 ? 0.4652 0.5393 0.4472 -0.0145 -0.0176 -0.0907 195 ASN B CA 1887 C C . ASN B 96 ? 0.4774 0.5291 0.4364 -0.0038 -0.0169 -0.0747 195 ASN B C 1888 O O . ASN B 96 ? 0.5135 0.5599 0.4533 0.0057 -0.0212 -0.0755 195 ASN B O 1889 C CB . ASN B 96 ? 0.4709 0.5758 0.4614 -0.0056 -0.0297 -0.1051 195 ASN B CB 1890 C CG . ASN B 96 ? 0.4955 0.6050 0.4672 0.0128 -0.0423 -0.1128 195 ASN B CG 1891 O OD1 . ASN B 96 ? 0.5820 0.6865 0.5358 0.0326 -0.0524 -0.1106 195 ASN B OD1 1892 N ND2 . ASN B 96 ? 0.4293 0.5430 0.3987 0.0087 -0.0432 -0.1226 195 ASN B ND2 1893 N N . ARG B 97 ? 0.4842 0.5239 0.4438 -0.0080 -0.0104 -0.0609 196 ARG B N 1894 C CA . ARG B 97 ? 0.4894 0.5113 0.4279 -0.0056 -0.0082 -0.0465 196 ARG B CA 1895 C C . ARG B 97 ? 0.4990 0.5217 0.4407 -0.0141 0.0041 -0.0372 196 ARG B C 1896 O O . ARG B 97 ? 0.5030 0.5202 0.4353 -0.0197 0.0085 -0.0261 196 ARG B O 1897 C CB . ARG B 97 ? 0.5170 0.5252 0.4477 -0.0036 -0.0137 -0.0404 196 ARG B CB 1898 C CG . ARG B 97 ? 0.5680 0.5828 0.4963 0.0110 -0.0273 -0.0524 196 ARG B CG 1899 C CD . ARG B 97 ? 0.5631 0.5532 0.4714 0.0182 -0.0346 -0.0461 196 ARG B CD 1900 N NE . ARG B 97 ? 0.6540 0.6049 0.5188 0.0226 -0.0374 -0.0354 196 ARG B NE 1901 C CZ . ARG B 97 ? 0.8010 0.7393 0.6355 0.0415 -0.0481 -0.0403 196 ARG B CZ 1902 N NH1 . ARG B 97 ? 0.7689 0.7403 0.6182 0.0583 -0.0583 -0.0585 196 ARG B NH1 1903 N NH2 . ARG B 97 ? 0.8055 0.6992 0.5925 0.0430 -0.0483 -0.0281 196 ARG B NH2 1904 N N . LEU B 98 ? 0.4731 0.5029 0.4247 -0.0147 0.0089 -0.0432 197 LEU B N 1905 C CA . LEU B 98 ? 0.5243 0.5596 0.4750 -0.0142 0.0179 -0.0386 197 LEU B CA 1906 C C . LEU B 98 ? 0.4989 0.5412 0.4326 -0.0123 0.0219 -0.0318 197 LEU B C 1907 O O . LEU B 98 ? 0.5357 0.5728 0.4534 -0.0062 0.0184 -0.0348 197 LEU B O 1908 C CB . LEU B 98 ? 0.5425 0.5706 0.4905 -0.0094 0.0188 -0.0486 197 LEU B CB 1909 C CG . LEU B 98 ? 0.6542 0.6751 0.6003 -0.0048 0.0244 -0.0496 197 LEU B CG 1910 C CD1 . LEU B 98 ? 0.6192 0.6414 0.5787 -0.0096 0.0267 -0.0443 197 LEU B CD1 1911 C CD2 . LEU B 98 ? 0.6117 0.6066 0.5449 -0.0057 0.0221 -0.0609 197 LEU B CD2 1912 N N . THR B 99 ? 0.4914 0.5491 0.4284 -0.0186 0.0298 -0.0238 198 THR B N 1913 C CA . THR B 99 ? 0.5205 0.5928 0.4435 -0.0245 0.0379 -0.0163 198 THR B CA 1914 C C . THR B 99 ? 0.5518 0.6010 0.4551 -0.0375 0.0361 -0.0062 198 THR B C 1915 O O . THR B 99 ? 0.5592 0.6131 0.4445 -0.0495 0.0448 0.0023 198 THR B O 1916 C CB . THR B 99 ? 0.5454 0.6274 0.4526 -0.0121 0.0411 -0.0206 198 THR B CB 1917 O OG1 . THR B 99 ? 0.5470 0.6043 0.4348 -0.0071 0.0333 -0.0220 198 THR B OG1 1918 C CG2 . THR B 99 ? 0.5575 0.6465 0.4719 0.0041 0.0401 -0.0317 198 THR B CG2 1919 N N A ARG B 100 ? 0.5137 0.5368 0.4156 -0.0347 0.0254 -0.0077 199 ARG B N 1920 N N B ARG B 100 ? 0.5147 0.5380 0.4169 -0.0350 0.0255 -0.0076 199 ARG B N 1921 C CA A ARG B 100 ? 0.5613 0.5508 0.4354 -0.0408 0.0204 0.0003 199 ARG B CA 1922 C CA B ARG B 100 ? 0.5635 0.5530 0.4376 -0.0410 0.0205 0.0004 199 ARG B CA 1923 C C A ARG B 100 ? 0.5519 0.5325 0.4385 -0.0478 0.0161 0.0015 199 ARG B C 1924 C C B ARG B 100 ? 0.5566 0.5363 0.4414 -0.0495 0.0168 0.0025 199 ARG B C 1925 O O A ARG B 100 ? 0.5189 0.5239 0.4330 -0.0537 0.0210 -0.0004 199 ARG B O 1926 O O B ARG B 100 ? 0.5188 0.5225 0.4287 -0.0580 0.0227 0.0019 199 ARG B O 1927 C CB A ARG B 100 ? 0.5833 0.5508 0.4361 -0.0228 0.0083 -0.0053 199 ARG B CB 1928 C CB B ARG B 100 ? 0.5807 0.5486 0.4357 -0.0226 0.0077 -0.0059 199 ARG B CB 1929 C CG A ARG B 100 ? 0.6084 0.5838 0.4470 -0.0129 0.0104 -0.0086 199 ARG B CG 1930 C CG B ARG B 100 ? 0.6143 0.5948 0.4640 -0.0103 0.0077 -0.0129 199 ARG B CG 1931 C CD A ARG B 100 ? 0.7423 0.6837 0.5314 -0.0113 0.0098 0.0012 199 ARG B CD 1932 C CD B ARG B 100 ? 0.6993 0.6572 0.5057 -0.0090 0.0103 -0.0039 199 ARG B CD 1933 N NE A ARG B 100 ? 0.8168 0.7258 0.5805 0.0062 -0.0065 -0.0030 199 ARG B NE 1934 N NE B ARG B 100 ? 0.7513 0.7322 0.5564 -0.0161 0.0245 0.0004 199 ARG B NE 1935 C CZ A ARG B 100 ? 0.8940 0.7601 0.6038 0.0147 -0.0114 0.0043 199 ARG B CZ 1936 C CZ B ARG B 100 ? 0.7615 0.7308 0.5314 -0.0249 0.0341 0.0119 199 ARG B CZ 1937 N NH1 A ARG B 100 ? 0.9014 0.7505 0.5772 0.0020 0.0014 0.0177 199 ARG B NH1 1938 N NH1 B ARG B 100 ? 0.7856 0.7081 0.5116 -0.0289 0.0308 0.0221 199 ARG B NH1 1939 N NH2 A ARG B 100 ? 0.9648 0.8050 0.6505 0.0376 -0.0289 -0.0026 199 ARG B NH2 1940 N NH2 B ARG B 100 ? 0.7911 0.7937 0.5650 -0.0293 0.0476 0.0131 199 ARG B NH2 1941 N N . ASP B 101 ? 0.5729 0.5168 0.4346 -0.0439 0.0059 0.0037 200 ASP B N 1942 C CA . ASP B 101 ? 0.6006 0.5315 0.4679 -0.0479 0.0003 0.0040 200 ASP B CA 1943 C C . ASP B 101 ? 0.5655 0.5181 0.4643 -0.0331 -0.0062 -0.0078 200 ASP B C 1944 O O . ASP B 101 ? 0.5790 0.5230 0.4699 -0.0166 -0.0174 -0.0151 200 ASP B O 1945 C CB . ASP B 101 ? 0.6808 0.5566 0.5003 -0.0460 -0.0094 0.0100 200 ASP B CB 1946 C CG . ASP B 101 ? 0.7456 0.6037 0.5409 -0.0191 -0.0225 0.0033 200 ASP B CG 1947 O OD1 . ASP B 101 ? 0.7647 0.6413 0.5633 -0.0116 -0.0202 -0.0002 200 ASP B OD1 1948 O OD2 . ASP B 101 ? 0.8162 0.6449 0.5887 -0.0029 -0.0363 -0.0004 200 ASP B OD2 1949 N N . ASP B 102 ? 0.5064 0.4888 0.4377 -0.0382 0.0013 -0.0106 201 ASP B N 1950 C CA . ASP B 102 ? 0.4433 0.4431 0.3982 -0.0288 -0.0012 -0.0208 201 ASP B CA 1951 C C . ASP B 102 ? 0.4518 0.4533 0.4203 -0.0292 -0.0032 -0.0222 201 ASP B C 1952 O O . ASP B 102 ? 0.4286 0.4444 0.4141 -0.0250 -0.0029 -0.0297 201 ASP B O 1953 C CB . ASP B 102 ? 0.4460 0.4657 0.4161 -0.0296 0.0073 -0.0247 201 ASP B CB 1954 C CG . ASP B 102 ? 0.4756 0.5081 0.4545 -0.0356 0.0161 -0.0199 201 ASP B CG 1955 O OD1 . ASP B 102 ? 0.4717 0.5042 0.4483 -0.0445 0.0171 -0.0136 201 ASP B OD1 1956 O OD2 . ASP B 102 ? 0.4655 0.5076 0.4508 -0.0307 0.0211 -0.0241 201 ASP B OD2 1957 N N . PHE B 103 ? 0.4416 0.4276 0.4001 -0.0361 -0.0050 -0.0156 202 PHE B N 1958 C CA . PHE B 103 ? 0.4426 0.4328 0.4146 -0.0357 -0.0063 -0.0173 202 PHE B CA 1959 C C . PHE B 103 ? 0.4601 0.4385 0.4237 -0.0224 -0.0172 -0.0230 202 PHE B C 1960 O O . PHE B 103 ? 0.4850 0.4344 0.4200 -0.0168 -0.0267 -0.0215 202 PHE B O 1961 C CB . PHE B 103 ? 0.4584 0.4416 0.4248 -0.0500 -0.0046 -0.0109 202 PHE B CB 1962 C CG . PHE B 103 ? 0.4306 0.4171 0.4078 -0.0486 -0.0076 -0.0135 202 PHE B CG 1963 C CD1 . PHE B 103 ? 0.4156 0.4278 0.4152 -0.0442 -0.0016 -0.0166 202 PHE B CD1 1964 C CD2 . PHE B 103 ? 0.4491 0.4067 0.4069 -0.0505 -0.0171 -0.0127 202 PHE B CD2 1965 C CE1 . PHE B 103 ? 0.3985 0.4130 0.4044 -0.0409 -0.0046 -0.0190 202 PHE B CE1 1966 C CE2 . PHE B 103 ? 0.4610 0.4218 0.4270 -0.0483 -0.0207 -0.0161 202 PHE B CE2 1967 C CZ . PHE B 103 ? 0.4255 0.4179 0.4173 -0.0436 -0.0141 -0.0191 202 PHE B CZ 1968 N N . LEU B 104 ? 0.4381 0.4367 0.4215 -0.0166 -0.0156 -0.0295 203 LEU B N 1969 C CA . LEU B 104 ? 0.4468 0.4485 0.4270 -0.0017 -0.0246 -0.0377 203 LEU B CA 1970 C C . LEU B 104 ? 0.4308 0.4285 0.4128 0.0013 -0.0268 -0.0375 203 LEU B C 1971 O O . LEU B 104 ? 0.4117 0.4159 0.3905 0.0162 -0.0339 -0.0452 203 LEU B O 1972 C CB . LEU B 104 ? 0.4505 0.4867 0.4505 0.0013 -0.0206 -0.0483 203 LEU B CB 1973 C CG . LEU B 104 ? 0.4390 0.4820 0.4341 0.0046 -0.0240 -0.0537 203 LEU B CG 1974 C CD1 . LEU B 104 ? 0.4283 0.5092 0.4470 -0.0013 -0.0177 -0.0658 203 LEU B CD1 1975 C CD2 . LEU B 104 ? 0.5353 0.5646 0.5038 0.0258 -0.0401 -0.0587 203 LEU B CD2 1976 N N . GLY B 105 ? 0.3929 0.3856 0.3801 -0.0101 -0.0214 -0.0309 204 GLY B N 1977 C CA . GLY B 105 ? 0.3925 0.3785 0.3775 -0.0064 -0.0256 -0.0316 204 GLY B CA 1978 C C . GLY B 105 ? 0.4010 0.4053 0.4039 -0.0099 -0.0163 -0.0305 204 GLY B C 1979 O O . GLY B 105 ? 0.4192 0.4385 0.4337 -0.0126 -0.0063 -0.0302 204 GLY B O 1980 N N . GLN B 106 ? 0.3779 0.3759 0.3776 -0.0086 -0.0208 -0.0306 205 GLN B N 1981 C CA . GLN B 106 ? 0.3490 0.3619 0.3595 -0.0067 -0.0138 -0.0304 205 GLN B CA 1982 C C . GLN B 106 ? 0.3662 0.3772 0.3721 0.0050 -0.0183 -0.0342 205 GLN B C 1983 O O . GLN B 106 ? 0.4086 0.4044 0.4020 0.0106 -0.0295 -0.0376 205 GLN B O 1984 C CB . GLN B 106 ? 0.3624 0.3828 0.3772 -0.0165 -0.0135 -0.0286 205 GLN B CB 1985 C CG . GLN B 106 ? 0.3815 0.3899 0.3876 -0.0250 -0.0241 -0.0305 205 GLN B CG 1986 C CD . GLN B 106 ? 0.5499 0.5810 0.5657 -0.0378 -0.0228 -0.0322 205 GLN B CD 1987 O OE1 . GLN B 106 ? 0.5195 0.5655 0.5411 -0.0486 -0.0166 -0.0298 205 GLN B OE1 1988 N NE2 . GLN B 106 ? 0.5750 0.6146 0.5930 -0.0357 -0.0291 -0.0382 205 GLN B NE2 1989 N N . VAL B 107 ? 0.3319 0.4274 0.3940 0.0392 0.0055 0.0121 206 VAL B N 1990 C CA . VAL B 107 ? 0.3101 0.3985 0.3732 0.0361 0.0075 0.0059 206 VAL B CA 1991 C C . VAL B 107 ? 0.3574 0.4244 0.4145 0.0250 0.0050 0.0028 206 VAL B C 1992 O O . VAL B 107 ? 0.3643 0.4296 0.4130 0.0190 0.0045 0.0032 206 VAL B O 1993 C CB . VAL B 107 ? 0.2972 0.4166 0.3627 0.0310 0.0077 0.0047 206 VAL B CB 1994 C CG1 . VAL B 107 ? 0.3176 0.4284 0.3777 0.0306 0.0128 -0.0002 206 VAL B CG1 1995 C CG2 . VAL B 107 ? 0.3301 0.4873 0.4081 0.0453 0.0109 0.0156 206 VAL B CG2 1996 N N . ASP B 108 ? 0.3477 0.3955 0.4029 0.0230 0.0031 0.0006 207 ASP B N 1997 C CA . ASP B 108 ? 0.3654 0.4043 0.4193 0.0128 -0.0015 0.0029 207 ASP B CA 1998 C C . ASP B 108 ? 0.3983 0.4261 0.4375 0.0087 -0.0038 -0.0067 207 ASP B C 1999 O O . ASP B 108 ? 0.3848 0.3904 0.4108 0.0118 -0.0064 -0.0123 207 ASP B O 2000 C CB . ASP B 108 ? 0.3655 0.3975 0.4328 0.0092 -0.0072 0.0158 207 ASP B CB 2001 C CG . ASP B 108 ? 0.3530 0.3943 0.4278 0.0008 -0.0117 0.0274 207 ASP B CG 2002 O OD1 . ASP B 108 ? 0.4022 0.4392 0.4662 -0.0065 -0.0169 0.0208 207 ASP B OD1 2003 O OD2 . ASP B 108 ? 0.4025 0.4594 0.4934 0.0054 -0.0080 0.0467 207 ASP B OD2 2004 N N . VAL B 109 ? 0.3717 0.4070 0.4050 0.0045 -0.0011 -0.0085 208 VAL B N 2005 C CA . VAL B 109 ? 0.4015 0.4298 0.4178 0.0049 -0.0003 -0.0159 208 VAL B CA 2006 C C . VAL B 109 ? 0.4007 0.4282 0.4108 -0.0018 -0.0036 -0.0122 208 VAL B C 2007 O O . VAL B 109 ? 0.3920 0.4273 0.4097 -0.0034 -0.0005 -0.0034 208 VAL B O 2008 C CB . VAL B 109 ? 0.4155 0.4626 0.4318 0.0097 0.0103 -0.0175 208 VAL B CB 2009 C CG1 . VAL B 109 ? 0.4214 0.4804 0.4454 0.0208 0.0145 -0.0159 208 VAL B CG1 2010 C CG2 . VAL B 109 ? 0.4517 0.5103 0.4741 -0.0014 0.0129 -0.0131 208 VAL B CG2 2011 N N . PRO B 110 ? 0.4201 0.4347 0.4097 -0.0021 -0.0090 -0.0178 209 PRO B N 2012 C CA . PRO B 110 ? 0.4376 0.4576 0.4194 -0.0060 -0.0123 -0.0123 209 PRO B CA 2013 C C . PRO B 110 ? 0.4403 0.4693 0.4177 -0.0003 0.0032 -0.0111 209 PRO B C 2014 O O . PRO B 110 ? 0.4358 0.4698 0.4158 0.0032 0.0128 -0.0149 209 PRO B O 2015 C CB . PRO B 110 ? 0.4576 0.4535 0.4079 -0.0077 -0.0246 -0.0218 209 PRO B CB 2016 C CG . PRO B 110 ? 0.4710 0.4466 0.4042 0.0053 -0.0152 -0.0334 209 PRO B CG 2017 C CD . PRO B 110 ? 0.4522 0.4403 0.4154 0.0052 -0.0108 -0.0290 209 PRO B CD 2018 N N . LEU B 111 ? 0.4437 0.4777 0.4158 -0.0001 0.0054 -0.0023 210 LEU B N 2019 C CA . LEU B 111 ? 0.4495 0.4840 0.4148 0.0027 0.0206 0.0016 210 LEU B CA 2020 C C . LEU B 111 ? 0.4721 0.5070 0.4158 0.0096 0.0229 0.0011 210 LEU B C 2021 O O . LEU B 111 ? 0.4935 0.5295 0.4309 0.0125 0.0362 0.0088 210 LEU B O 2022 C CB . LEU B 111 ? 0.4337 0.4633 0.3999 0.0044 0.0278 0.0145 210 LEU B CB 2023 C CG . LEU B 111 ? 0.4541 0.4723 0.4264 0.0002 0.0312 0.0124 210 LEU B CG 2024 C CD1 . LEU B 111 ? 0.4931 0.4966 0.4550 0.0103 0.0399 0.0263 210 LEU B CD1 2025 C CD2 . LEU B 111 ? 0.5157 0.5256 0.4830 -0.0110 0.0381 0.0066 210 LEU B CD2 2026 N N . TYR B 112 ? 0.4974 0.5244 0.4233 0.0123 0.0103 -0.0077 211 TYR B N 2027 C CA . TYR B 112 ? 0.5696 0.5889 0.4618 0.0223 0.0110 -0.0107 211 TYR B CA 2028 C C . TYR B 112 ? 0.6318 0.6232 0.4938 0.0279 0.0026 -0.0261 211 TYR B C 2029 O O . TYR B 112 ? 0.6406 0.6167 0.5050 0.0173 -0.0132 -0.0325 211 TYR B O 2030 C CB . TYR B 112 ? 0.6017 0.6282 0.4829 0.0187 -0.0026 -0.0022 211 TYR B CB 2031 C CG . TYR B 112 ? 0.6985 0.7172 0.5383 0.0301 -0.0029 -0.0041 211 TYR B CG 2032 C CD1 . TYR B 112 ? 0.7652 0.7545 0.5599 0.0300 -0.0212 -0.0189 211 TYR B CD1 2033 C CD2 . TYR B 112 ? 0.7304 0.7629 0.5681 0.0417 0.0154 0.0089 211 TYR B CD2 2034 C CE1 . TYR B 112 ? 0.8014 0.7773 0.5464 0.0438 -0.0214 -0.0217 211 TYR B CE1 2035 C CE2 . TYR B 112 ? 0.7661 0.7934 0.5636 0.0558 0.0170 0.0094 211 TYR B CE2 2036 C CZ . TYR B 112 ? 0.8197 0.8200 0.5695 0.0581 -0.0015 -0.0065 211 TYR B CZ 2037 O OH . TYR B 112 ? 0.8607 0.8507 0.5599 0.0750 -0.0001 -0.0066 211 TYR B OH 2038 N N . PRO B 113 ? 0.6533 0.6333 0.4835 0.0471 0.0160 -0.0298 212 PRO B N 2039 C CA . PRO B 113 ? 0.6538 0.6558 0.4861 0.0603 0.0381 -0.0178 212 PRO B CA 2040 C C . PRO B 113 ? 0.6320 0.6637 0.5055 0.0590 0.0557 -0.0074 212 PRO B C 2041 O O . PRO B 113 ? 0.6461 0.6782 0.5290 0.0623 0.0563 -0.0114 212 PRO B O 2042 C CB . PRO B 113 ? 0.7263 0.7002 0.5013 0.0856 0.0443 -0.0249 212 PRO B CB 2043 C CG . PRO B 113 ? 0.7696 0.7074 0.5228 0.0893 0.0359 -0.0397 212 PRO B CG 2044 C CD . PRO B 113 ? 0.7072 0.6436 0.4891 0.0601 0.0115 -0.0447 212 PRO B CD 2045 N N . LEU B 114 ? 0.5970 0.6519 0.4932 0.0516 0.0679 0.0073 213 LEU B N 2046 C CA . LEU B 114 ? 0.5616 0.6480 0.4927 0.0444 0.0816 0.0212 213 LEU B CA 2047 C C . LEU B 114 ? 0.5912 0.6959 0.5213 0.0505 0.1007 0.0400 213 LEU B C 2048 O O . LEU B 114 ? 0.6028 0.6925 0.5121 0.0540 0.1025 0.0420 213 LEU B O 2049 C CB . LEU B 114 ? 0.5372 0.6233 0.4966 0.0180 0.0733 0.0215 213 LEU B CB 2050 C CG . LEU B 114 ? 0.5038 0.5783 0.4697 0.0130 0.0577 0.0081 213 LEU B CG 2051 C CD1 . LEU B 114 ? 0.5229 0.5852 0.4992 -0.0058 0.0524 0.0089 213 LEU B CD1 2052 C CD2 . LEU B 114 ? 0.5444 0.6396 0.5250 0.0194 0.0590 0.0081 213 LEU B CD2 2053 N N . PRO B 115 ? 0.5373 0.6809 0.4928 0.0526 0.1156 0.0586 214 PRO B N 2054 C CA . PRO B 115 ? 0.5700 0.7351 0.5290 0.0572 0.1352 0.0818 214 PRO B CA 2055 C C . PRO B 115 ? 0.5576 0.7156 0.5354 0.0252 0.1341 0.0917 214 PRO B C 2056 O O . PRO B 115 ? 0.5507 0.6971 0.5448 -0.0021 0.1204 0.0848 214 PRO B O 2057 C CB . PRO B 115 ? 0.5551 0.7750 0.5450 0.0666 0.1506 0.1054 214 PRO B CB 2058 C CG . PRO B 115 ? 0.5329 0.7640 0.5484 0.0518 0.1357 0.0974 214 PRO B CG 2059 C CD . PRO B 115 ? 0.5528 0.7303 0.5376 0.0526 0.1166 0.0652 214 PRO B CD 2060 N N . THR B 116 ? 0.6020 0.7583 0.5684 0.0314 0.1496 0.1075 215 THR B N 2061 C CA . THR B 116 ? 0.6121 0.7532 0.5891 0.0034 0.1542 0.1218 215 THR B CA 2062 C C . THR B 116 ? 0.6187 0.8064 0.6381 -0.0183 0.1640 0.1513 215 THR B C 2063 O O . THR B 116 ? 0.6113 0.8474 0.6442 0.0036 0.1800 0.1709 215 THR B O 2064 C CB . THR B 116 ? 0.6536 0.7728 0.5988 0.0219 0.1684 0.1298 215 THR B CB 2065 O OG1 . THR B 116 ? 0.6807 0.7689 0.5927 0.0379 0.1557 0.1081 215 THR B OG1 2066 C CG2 . THR B 116 ? 0.6783 0.7707 0.6281 -0.0052 0.1772 0.1471 215 THR B CG2 2067 N N . GLU B 117 ? 0.6235 0.7958 0.6604 -0.0612 0.1540 0.1568 216 GLU B N 2068 C CA . GLU B 117 ? 0.6197 0.8349 0.6985 -0.0947 0.1590 0.1909 216 GLU B CA 2069 C C . GLU B 117 ? 0.6491 0.8767 0.7296 -0.0860 0.1843 0.2212 216 GLU B C 2070 O O . GLU B 117 ? 0.6327 0.8109 0.6746 -0.0703 0.1942 0.2142 216 GLU B O 2071 C CB . GLU B 117 ? 0.6496 0.8210 0.7268 -0.1477 0.1390 0.1862 216 GLU B CB 2072 C CG . GLU B 117 ? 0.6436 0.8106 0.7210 -0.1563 0.1149 0.1610 216 GLU B CG 2073 C CD . GLU B 117 ? 0.7008 0.7896 0.7423 -0.1912 0.0969 0.1424 216 GLU B CD 2074 O OE1 . GLU B 117 ? 0.7687 0.8076 0.7897 -0.2208 0.0996 0.1526 216 GLU B OE1 2075 O OE2 . GLU B 117 ? 0.6650 0.7359 0.6926 -0.1863 0.0817 0.1182 216 GLU B OE2 2076 N N . ASN B 118 ? 0.6431 0.9433 0.7712 -0.0952 0.1957 0.2594 217 ASN B N 2077 C CA . ASN B 118 ? 0.6790 1.0040 0.8183 -0.0887 0.2227 0.2976 217 ASN B CA 2078 C C . ASN B 118 ? 0.7412 1.0012 0.8644 -0.1291 0.2220 0.3045 217 ASN B C 2079 O O . ASN B 118 ? 0.7506 1.0240 0.9107 -0.1873 0.2105 0.3296 217 ASN B O 2080 C CB . ASN B 118 ? 0.7067 1.1343 0.9104 -0.0941 0.2347 0.3452 217 ASN B CB 2081 C CG . ASN B 118 ? 0.7243 1.1819 0.9789 -0.1608 0.2099 0.3635 217 ASN B CG 2082 O OD1 . ASN B 118 ? 0.8387 1.2473 1.0766 -0.1921 0.1809 0.3318 217 ASN B OD1 2083 N ND2 . ASN B 118 ? 0.8465 1.3878 1.1621 -0.1832 0.2202 0.4174 217 ASN B ND2 2084 N N . PRO B 124 ? 0.7532 1.5842 1.1774 -0.0636 0.2087 0.4333 223 PRO B N 2085 C CA . PRO B 124 ? 0.7492 1.5156 1.1474 -0.0936 0.1725 0.3847 223 PRO B CA 2086 C C . PRO B 124 ? 0.7173 1.4454 1.0700 -0.0374 0.1785 0.3482 223 PRO B C 2087 O O . PRO B 124 ? 0.7211 1.5112 1.0897 0.0081 0.1983 0.3719 223 PRO B O 2088 C CB . PRO B 124 ? 0.7442 1.5995 1.2112 -0.1467 0.1459 0.4191 223 PRO B CB 2089 C CG . PRO B 124 ? 0.7357 1.7196 1.2691 -0.1246 0.1737 0.4876 223 PRO B CG 2090 C CD . PRO B 124 ? 0.7740 1.7319 1.2846 -0.0946 0.2079 0.4983 223 PRO B CD 2091 N N . TYR B 125 ? 0.8186 1.2461 0.9423 0.1223 0.1784 0.3999 224 TYR B N 2092 C CA . TYR B 125 ? 0.7650 1.2138 0.8447 0.1024 0.1373 0.3456 224 TYR B CA 2093 C C . TYR B 125 ? 0.7562 1.0702 0.8314 0.1086 0.1472 0.2593 224 TYR B C 2094 O O . TYR B 125 ? 0.7930 1.0149 0.9095 0.1256 0.1877 0.2560 224 TYR B O 2095 C CB . TYR B 125 ? 0.7625 1.3014 0.8903 0.1179 0.1252 0.4273 224 TYR B CB 2096 C CG . TYR B 125 ? 0.7810 1.5083 0.9092 0.0985 0.1036 0.5264 224 TYR B CG 2097 C CD1 . TYR B 125 ? 0.8003 1.6583 0.8385 0.0316 0.0590 0.4922 224 TYR B CD1 2098 C CD2 . TYR B 125 ? 0.8023 1.5857 1.0228 0.1385 0.1360 0.6565 224 TYR B CD2 2099 C CE1 . TYR B 125 ? 0.8309 1.8986 0.8556 -0.0071 0.0361 0.5836 224 TYR B CE1 2100 C CE2 . TYR B 125 ? 0.8455 1.8395 1.0713 0.1166 0.1111 0.7689 224 TYR B CE2 2101 C CZ . TYR B 125 ? 0.8549 2.0032 0.9747 0.0377 0.0555 0.7303 224 TYR B CZ 2102 O OH . TYR B 125 ? 0.8844 2.2739 0.9977 -0.0028 0.0279 0.8415 224 TYR B OH 2103 N N . THR B 126 ? 0.6835 0.9927 0.7101 0.0871 0.1172 0.1913 225 THR B N 2104 C CA . THR B 126 ? 0.6830 0.8962 0.7108 0.0910 0.1221 0.1285 225 THR B CA 2105 C C . THR B 126 ? 0.5941 0.7962 0.6248 0.0932 0.1040 0.1148 225 THR B C 2106 O O . THR B 126 ? 0.6191 0.8864 0.6536 0.0921 0.0892 0.1523 225 THR B O 2107 C CB . THR B 126 ? 0.6900 0.8897 0.6840 0.0743 0.1178 0.0701 225 THR B CB 2108 O OG1 . THR B 126 ? 0.7732 0.9120 0.7856 0.0783 0.1252 0.0386 225 THR B OG1 2109 C CG2 . THR B 126 ? 0.7298 0.9629 0.6850 0.0522 0.1011 0.0317 225 THR B CG2 2110 N N . PHE B 127 ? 0.5354 0.6754 0.5650 0.0916 0.1029 0.0682 226 PHE B N 2111 C CA . PHE B 127 ? 0.4698 0.5925 0.5072 0.0940 0.0912 0.0605 226 PHE B CA 2112 C C . PHE B 127 ? 0.4586 0.6071 0.4639 0.0793 0.0658 0.0314 226 PHE B C 2113 O O . PHE B 127 ? 0.4692 0.6328 0.4481 0.0643 0.0670 0.0039 226 PHE B O 2114 C CB . PHE B 127 ? 0.4643 0.5296 0.5114 0.0874 0.1025 0.0304 226 PHE B CB 2115 C CG . PHE B 127 ? 0.4477 0.5174 0.4818 0.0775 0.0915 -0.0003 226 PHE B CG 2116 C CD1 . PHE B 127 ? 0.3870 0.4620 0.4185 0.0799 0.0731 -0.0155 226 PHE B CD1 2117 C CD2 . PHE B 127 ? 0.4943 0.5668 0.5323 0.0673 0.1071 -0.0054 226 PHE B CD2 2118 C CE1 . PHE B 127 ? 0.4099 0.4973 0.4588 0.0825 0.0737 -0.0223 226 PHE B CE1 2119 C CE2 . PHE B 127 ? 0.5410 0.6416 0.5861 0.0632 0.0981 -0.0165 226 PHE B CE2 2120 C CZ . PHE B 127 ? 0.4803 0.5904 0.5393 0.0761 0.0830 -0.0182 226 PHE B CZ 2121 N N . LYS B 128 ? 0.4382 0.5819 0.4494 0.0792 0.0548 0.0313 227 LYS B N 2122 C CA . LYS B 128 ? 0.4589 0.6035 0.4463 0.0611 0.0429 -0.0031 227 LYS B CA 2123 C C . LYS B 128 ? 0.4235 0.5187 0.4290 0.0696 0.0389 -0.0134 227 LYS B C 2124 O O . LYS B 128 ? 0.4340 0.5180 0.4606 0.0790 0.0423 0.0067 227 LYS B O 2125 C CB . LYS B 128 ? 0.4723 0.6954 0.4404 0.0375 0.0297 0.0139 227 LYS B CB 2126 C CG . LYS B 128 ? 0.5675 0.8743 0.4976 0.0039 0.0304 0.0160 227 LYS B CG 2127 C CD . LYS B 128 ? 0.6304 1.0490 0.5300 -0.0430 0.0135 0.0264 227 LYS B CD 2128 C CE . LYS B 128 ? 0.7220 1.0906 0.6003 -0.0703 0.0200 -0.0348 227 LYS B CE 2129 N NZ . LYS B 128 ? 0.6786 1.1447 0.5425 -0.1093 0.0006 -0.0197 227 LYS B NZ 2130 N N . ASP B 129 ? 0.4105 0.4763 0.4139 0.0642 0.0413 -0.0417 228 ASP B N 2131 C CA . ASP B 129 ? 0.4055 0.4432 0.4254 0.0679 0.0347 -0.0407 228 ASP B CA 2132 C C . ASP B 129 ? 0.4180 0.4584 0.4237 0.0517 0.0303 -0.0532 228 ASP B C 2133 O O . ASP B 129 ? 0.4550 0.5050 0.4385 0.0289 0.0423 -0.0793 228 ASP B O 2134 C CB . ASP B 129 ? 0.4380 0.4551 0.4869 0.0782 0.0452 -0.0402 228 ASP B CB 2135 C CG . ASP B 129 ? 0.4405 0.4819 0.5065 0.0843 0.0426 -0.0209 228 ASP B CG 2136 O OD1 . ASP B 129 ? 0.4651 0.5166 0.5157 0.0742 0.0391 -0.0193 228 ASP B OD1 2137 O OD2 . ASP B 129 ? 0.4392 0.4932 0.5424 0.0965 0.0518 -0.0046 228 ASP B OD2 2138 N N . PHE B 130 ? 0.3883 0.4235 0.4028 0.0531 0.0194 -0.0418 229 PHE B N 2139 C CA . PHE B 130 ? 0.4242 0.4687 0.4292 0.0363 0.0136 -0.0497 229 PHE B CA 2140 C C . PHE B 130 ? 0.4187 0.4236 0.4383 0.0383 0.0139 -0.0505 229 PHE B C 2141 O O . PHE B 130 ? 0.3928 0.3963 0.4239 0.0444 0.0082 -0.0343 229 PHE B O 2142 C CB . PHE B 130 ? 0.4001 0.4906 0.4159 0.0402 0.0048 -0.0207 229 PHE B CB 2143 C CG . PHE B 130 ? 0.3976 0.5563 0.4133 0.0403 0.0032 0.0062 229 PHE B CG 2144 C CD1 . PHE B 130 ? 0.3780 0.5298 0.4111 0.0619 0.0151 0.0281 229 PHE B CD1 2145 C CD2 . PHE B 130 ? 0.4504 0.6953 0.4473 0.0106 -0.0089 0.0137 229 PHE B CD2 2146 C CE1 . PHE B 130 ? 0.3746 0.6000 0.4137 0.0634 0.0145 0.0673 229 PHE B CE1 2147 C CE2 . PHE B 130 ? 0.4371 0.7817 0.4347 0.0033 -0.0153 0.0552 229 PHE B CE2 2148 C CZ . PHE B 130 ? 0.4234 0.7548 0.4469 0.0354 -0.0036 0.0877 229 PHE B CZ 2149 N N . VAL B 131 ? 0.4287 0.4062 0.4475 0.0248 0.0276 -0.0694 230 VAL B N 2150 C CA . VAL B 131 ? 0.4556 0.4033 0.4981 0.0296 0.0303 -0.0543 230 VAL B CA 2151 C C . VAL B 131 ? 0.4289 0.3991 0.4609 0.0199 0.0095 -0.0457 230 VAL B C 2152 O O . VAL B 131 ? 0.4299 0.4270 0.4465 0.0070 0.0032 -0.0559 230 VAL B O 2153 C CB . VAL B 131 ? 0.5238 0.4190 0.5811 0.0185 0.0668 -0.0741 230 VAL B CB 2154 C CG1 . VAL B 131 ? 0.5612 0.4669 0.5800 -0.0221 0.0692 -0.1122 230 VAL B CG1 2155 C CG2 . VAL B 131 ? 0.5406 0.4132 0.6451 0.0366 0.0745 -0.0319 230 VAL B CG2 2156 N N . LEU B 132 ? 0.4212 0.3973 0.4651 0.0215 0.0019 -0.0220 231 LEU B N 2157 C CA . LEU B 132 ? 0.3833 0.3744 0.4166 0.0049 -0.0059 -0.0219 231 LEU B CA 2158 C C . LEU B 132 ? 0.3903 0.3624 0.4260 -0.0060 -0.0037 -0.0236 231 LEU B C 2159 O O . LEU B 132 ? 0.4260 0.3726 0.4830 -0.0006 0.0077 -0.0079 231 LEU B O 2160 C CB . LEU B 132 ? 0.3866 0.4084 0.4163 -0.0116 -0.0096 -0.0056 231 LEU B CB 2161 C CG . LEU B 132 ? 0.3956 0.4277 0.4164 -0.0170 0.0015 -0.0191 231 LEU B CG 2162 C CD1 . LEU B 132 ? 0.3694 0.4554 0.3775 -0.0525 -0.0012 -0.0072 231 LEU B CD1 2163 C CD2 . LEU B 132 ? 0.3925 0.4062 0.4149 -0.0214 0.0248 -0.0393 231 LEU B CD2 2164 N N . HIS B 133 ? 0.3953 0.3802 0.4210 -0.0192 -0.0065 -0.0372 232 HIS B N 2165 C CA . HIS B 133 ? 0.4167 0.3902 0.4395 -0.0379 -0.0030 -0.0463 232 HIS B CA 2166 C C . HIS B 133 ? 0.4195 0.4043 0.4414 -0.0514 -0.0071 -0.0358 232 HIS B C 2167 O O . HIS B 133 ? 0.4077 0.4138 0.4288 -0.0530 -0.0050 -0.0362 232 HIS B O 2168 C CB . HIS B 133 ? 0.4220 0.4336 0.4352 -0.0529 -0.0050 -0.0653 232 HIS B CB 2169 C CG . HIS B 133 ? 0.4929 0.5081 0.4915 -0.0619 0.0032 -0.0855 232 HIS B CG 2170 N ND1 . HIS B 133 ? 0.5584 0.5308 0.5448 -0.0899 0.0307 -0.1183 232 HIS B ND1 2171 C CD2 . HIS B 133 ? 0.4902 0.5431 0.4845 -0.0526 -0.0025 -0.0807 232 HIS B CD2 2172 C CE1 . HIS B 133 ? 0.5797 0.5680 0.5469 -0.1053 0.0424 -0.1421 232 HIS B CE1 2173 N NE2 . HIS B 133 ? 0.5326 0.5771 0.5026 -0.0814 0.0163 -0.1150 232 HIS B NE2 2174 N N . PRO B 134 ? 0.4454 0.4105 0.4693 -0.0662 -0.0024 -0.0305 233 PRO B N 2175 C CA . PRO B 134 ? 0.4650 0.4499 0.4822 -0.0861 -0.0056 -0.0229 233 PRO B CA 2176 C C . PRO B 134 ? 0.4764 0.4862 0.4942 -0.0954 -0.0030 -0.0446 233 PRO B C 2177 O O . PRO B 134 ? 0.4747 0.5035 0.4980 -0.0918 -0.0048 -0.0556 233 PRO B O 2178 C CB . PRO B 134 ? 0.5163 0.4701 0.5452 -0.0950 0.0036 -0.0024 233 PRO B CB 2179 C CG . PRO B 134 ? 0.5499 0.4581 0.5859 -0.0933 0.0239 -0.0290 233 PRO B CG 2180 C CD . PRO B 134 ? 0.5193 0.4350 0.5557 -0.0701 0.0189 -0.0340 233 PRO B CD 2181 N N . ARG B 135 ? 0.4966 0.5230 0.5129 -0.1122 0.0041 -0.0454 234 ARG B N 2182 C CA . ARG B 135 ? 0.5106 0.5690 0.5498 -0.1133 0.0158 -0.0536 234 ARG B CA 2183 C C . ARG B 135 ? 0.5479 0.6119 0.5809 -0.1398 0.0149 -0.0572 234 ARG B C 2184 O O . ARG B 135 ? 0.5680 0.6728 0.6261 -0.1441 0.0221 -0.0582 234 ARG B O 2185 C CB . ARG B 135 ? 0.5235 0.5844 0.5804 -0.1118 0.0481 -0.0602 234 ARG B CB 2186 C CG . ARG B 135 ? 0.5666 0.6247 0.6017 -0.1502 0.0659 -0.0752 234 ARG B CG 2187 C CD . ARG B 135 ? 0.6423 0.6907 0.6633 -0.1782 0.1059 -0.1010 234 ARG B CD 2188 N NE . ARG B 135 ? 0.7048 0.7316 0.7782 -0.1570 0.1599 -0.1131 234 ARG B NE 2189 C CZ . ARG B 135 ? 0.7522 0.7529 0.8322 -0.1901 0.2284 -0.1509 234 ARG B CZ 2190 N NH1 . ARG B 135 ? 0.6965 0.7096 0.7178 -0.2587 0.2434 -0.1866 234 ARG B NH1 2191 N NH2 . ARG B 135 ? 0.7719 0.7375 0.9230 -0.1593 0.2923 -0.1508 234 ARG B NH2 2192 N N . SER B 136 ? 0.6052 0.7330 0.5957 -0.0651 0.0703 0.1164 235 SER B N 2193 C CA . SER B 136 ? 0.6861 0.8253 0.6828 -0.0804 0.0769 0.1419 235 SER B CA 2194 C C . SER B 136 ? 0.7206 0.8178 0.7112 -0.0822 0.0757 0.1565 235 SER B C 2195 O O . SER B 136 ? 0.7049 0.7744 0.6856 -0.0684 0.0705 0.1454 235 SER B O 2196 C CB . SER B 136 ? 0.7028 0.8952 0.6929 -0.0697 0.0852 0.1535 235 SER B CB 2197 O OG . SER B 136 ? 0.7369 0.9281 0.7081 -0.0510 0.0858 0.1593 235 SER B OG 2198 N N . HIS B 137 ? 0.7925 0.8866 0.7909 -0.0990 0.0804 0.1827 236 HIS B N 2199 C CA . HIS B 137 ? 0.8425 0.8947 0.8362 -0.1003 0.0788 0.2000 236 HIS B CA 2200 C C . HIS B 137 ? 0.8598 0.9265 0.8327 -0.0774 0.0817 0.2107 236 HIS B C 2201 O O . HIS B 137 ? 0.8854 0.9186 0.8510 -0.0714 0.0790 0.2222 236 HIS B O 2202 C CB . HIS B 137 ? 0.8905 0.9336 0.9013 -0.1264 0.0824 0.2273 236 HIS B CB 2203 N N . LYS B 138 ? 0.8370 0.9537 0.8003 -0.0630 0.0861 0.2052 237 LYS B N 2204 C CA . LYS B 138 ? 0.8360 0.9729 0.7780 -0.0394 0.0871 0.2101 237 LYS B CA 2205 C C . LYS B 138 ? 0.8048 0.9268 0.7378 -0.0186 0.0779 0.1822 237 LYS B C 2206 O O . LYS B 138 ? 0.7946 0.9169 0.7126 -0.0007 0.0752 0.1853 237 LYS B O 2207 C CB . LYS B 138 ? 0.8207 1.0203 0.7560 -0.0326 0.0957 0.2170 237 LYS B CB 2208 N N . SER B 139 ? 0.7858 0.8968 0.7289 -0.0212 0.0730 0.1565 238 SER B N 2209 C CA . SER B 139 ? 0.7645 0.8612 0.7035 -0.0047 0.0650 0.1321 238 SER B CA 2210 C C . SER B 139 ? 0.7802 0.8340 0.7159 -0.0005 0.0602 0.1362 238 SER B C 2211 O O . SER B 139 ? 0.8264 0.8449 0.7700 -0.0145 0.0600 0.1435 238 SER B O 2212 C CB . SER B 139 ? 0.7187 0.8076 0.6699 -0.0109 0.0614 0.1086 238 SER B CB 2213 O OG . SER B 139 ? 0.7301 0.8533 0.6879 -0.0165 0.0648 0.1047 238 SER B OG 2214 N N . ARG B 140 ? 0.7754 0.8330 0.7010 0.0195 0.0555 0.1302 239 ARG B N 2215 C CA . ARG B 140 ? 0.7720 0.7929 0.6978 0.0276 0.0495 0.1256 239 ARG B CA 2216 C C . ARG B 140 ? 0.7022 0.7274 0.6334 0.0374 0.0439 0.0982 239 ARG B C 2217 O O . ARG B 140 ? 0.7128 0.7666 0.6393 0.0509 0.0408 0.0890 239 ARG B O 2218 C CB . ARG B 140 ? 0.8278 0.8513 0.7400 0.0429 0.0476 0.1428 239 ARG B CB 2219 C CG . ARG B 140 ? 0.8666 0.8542 0.7803 0.0533 0.0411 0.1402 239 ARG B CG 2220 N N . VAL B 141 ? 0.6210 0.6197 0.5627 0.0301 0.0425 0.0849 240 VAL B N 2221 C CA . VAL B 141 ? 0.5699 0.5737 0.5184 0.0376 0.0384 0.0626 240 VAL B CA 2222 C C . VAL B 141 ? 0.5650 0.5373 0.5190 0.0410 0.0359 0.0546 240 VAL B C 2223 O O . VAL B 141 ? 0.5449 0.4870 0.4990 0.0338 0.0372 0.0611 240 VAL B O 2224 C CB . VAL B 141 ? 0.5591 0.5782 0.5152 0.0275 0.0401 0.0505 240 VAL B CB 2225 C CG1 . VAL B 141 ? 0.5033 0.5543 0.4551 0.0243 0.0437 0.0590 240 VAL B CG1 2226 C CG2 . VAL B 141 ? 0.5637 0.5581 0.5260 0.0127 0.0419 0.0471 240 VAL B CG2 2227 N N . LYS B 142 ? 0.5069 0.4874 0.4668 0.0521 0.0320 0.0400 241 LYS B N 2228 C CA . LYS B 142 ? 0.5179 0.4770 0.4841 0.0584 0.0305 0.0318 241 LYS B CA 2229 C C . LYS B 142 ? 0.4917 0.4641 0.4692 0.0589 0.0298 0.0148 241 LYS B C 2230 O O . LYS B 142 ? 0.4889 0.4850 0.4699 0.0583 0.0281 0.0097 241 LYS B O 2231 C CB . LYS B 142 ? 0.5318 0.4910 0.4958 0.0756 0.0258 0.0372 241 LYS B CB 2232 C CG . LYS B 142 ? 0.6423 0.5936 0.5942 0.0778 0.0257 0.0579 241 LYS B CG 2233 C CD . LYS B 142 ? 0.7207 0.6639 0.6706 0.0952 0.0207 0.0641 241 LYS B CD 2234 C CE . LYS B 142 ? 0.8355 0.7764 0.7713 0.0985 0.0204 0.0887 241 LYS B CE 2235 N NZ . LYS B 142 ? 0.8993 0.8275 0.8307 0.0800 0.0268 0.1035 241 LYS B NZ 2236 N N . GLY B 143 ? 0.4974 0.4548 0.4810 0.0606 0.0312 0.0065 242 GLY B N 2237 C CA . GLY B 143 ? 0.4739 0.4461 0.4698 0.0630 0.0310 -0.0058 242 GLY B CA 2238 C C . GLY B 143 ? 0.4527 0.4295 0.4510 0.0509 0.0343 -0.0119 242 GLY B C 2239 O O . GLY B 143 ? 0.4492 0.4147 0.4398 0.0403 0.0369 -0.0094 242 GLY B O 2240 N N . TYR B 144 ? 0.4299 0.4235 0.4407 0.0522 0.0337 -0.0191 243 TYR B N 2241 C CA . TYR B 144 ? 0.4183 0.4158 0.4322 0.0430 0.0371 -0.0235 243 TYR B CA 2242 C C . TYR B 144 ? 0.4301 0.4472 0.4559 0.0416 0.0336 -0.0255 243 TYR B C 2243 O O . TYR B 144 ? 0.4482 0.4763 0.4836 0.0487 0.0284 -0.0273 243 TYR B O 2244 C CB . TYR B 144 ? 0.4369 0.4321 0.4561 0.0467 0.0416 -0.0289 243 TYR B CB 2245 C CG . TYR B 144 ? 0.4734 0.4460 0.4810 0.0489 0.0444 -0.0306 243 TYR B CG 2246 C CD1 . TYR B 144 ? 0.4878 0.4484 0.4943 0.0596 0.0425 -0.0286 243 TYR B CD1 2247 C CD2 . TYR B 144 ? 0.5268 0.4890 0.5247 0.0410 0.0475 -0.0350 243 TYR B CD2 2248 C CE1 . TYR B 144 ? 0.5585 0.4930 0.5558 0.0624 0.0437 -0.0307 243 TYR B CE1 2249 C CE2 . TYR B 144 ? 0.5341 0.4724 0.5226 0.0432 0.0483 -0.0395 243 TYR B CE2 2250 C CZ . TYR B 144 ? 0.6118 0.5342 0.6007 0.0537 0.0463 -0.0372 243 TYR B CZ 2251 O OH . TYR B 144 ? 0.6507 0.5444 0.6319 0.0564 0.0458 -0.0421 243 TYR B OH 2252 N N . LEU B 145 ? 0.4110 0.4315 0.4366 0.0329 0.0354 -0.0258 244 LEU B N 2253 C CA . LEU B 145 ? 0.3877 0.4221 0.4261 0.0312 0.0318 -0.0272 244 LEU B CA 2254 C C . LEU B 145 ? 0.3953 0.4326 0.4415 0.0275 0.0360 -0.0265 244 LEU B C 2255 O O . LEU B 145 ? 0.4096 0.4418 0.4452 0.0227 0.0410 -0.0256 244 LEU B O 2256 C CB . LEU B 145 ? 0.3856 0.4241 0.4174 0.0258 0.0301 -0.0256 244 LEU B CB 2257 C CG . LEU B 145 ? 0.3901 0.4396 0.4347 0.0258 0.0253 -0.0275 244 LEU B CG 2258 C CD1 . LEU B 145 ? 0.3966 0.4534 0.4540 0.0342 0.0177 -0.0335 244 LEU B CD1 2259 C CD2 . LEU B 145 ? 0.4329 0.4883 0.4701 0.0217 0.0247 -0.0260 244 LEU B CD2 2260 N N . ARG B 146 ? 0.3670 0.4140 0.4323 0.0295 0.0337 -0.0267 245 ARG B N 2261 C CA . ARG B 146 ? 0.3527 0.4066 0.4277 0.0259 0.0390 -0.0226 245 ARG B CA 2262 C C . ARG B 146 ? 0.3850 0.4433 0.4692 0.0199 0.0357 -0.0179 245 ARG B C 2263 O O . ARG B 146 ? 0.3527 0.4126 0.4517 0.0209 0.0277 -0.0200 245 ARG B O 2264 C CB . ARG B 146 ? 0.3621 0.4259 0.4570 0.0303 0.0386 -0.0234 245 ARG B CB 2265 C CG . ARG B 146 ? 0.3140 0.3909 0.4225 0.0267 0.0456 -0.0167 245 ARG B CG 2266 C CD . ARG B 146 ? 0.3015 0.3905 0.4274 0.0327 0.0464 -0.0189 245 ARG B CD 2267 N NE . ARG B 146 ? 0.3354 0.4181 0.4450 0.0419 0.0505 -0.0246 245 ARG B NE 2268 C CZ . ARG B 146 ? 0.3346 0.4257 0.4547 0.0507 0.0506 -0.0278 245 ARG B CZ 2269 N NH1 . ARG B 146 ? 0.3859 0.4958 0.5343 0.0501 0.0470 -0.0265 245 ARG B NH1 2270 N NH2 . ARG B 146 ? 0.3524 0.4330 0.4567 0.0602 0.0534 -0.0326 245 ARG B NH2 2271 N N . LEU B 147 ? 0.3782 0.4384 0.4537 0.0148 0.0411 -0.0122 246 LEU B N 2272 C CA . LEU B 147 ? 0.3955 0.4586 0.4766 0.0101 0.0382 -0.0055 246 LEU B CA 2273 C C . LEU B 147 ? 0.4032 0.4756 0.4861 0.0061 0.0449 0.0050 246 LEU B C 2274 O O . LEU B 147 ? 0.4100 0.4876 0.4804 0.0070 0.0530 0.0046 246 LEU B O 2275 C CB . LEU B 147 ? 0.4084 0.4678 0.4714 0.0085 0.0362 -0.0077 246 LEU B CB 2276 C CG . LEU B 147 ? 0.3765 0.4310 0.4323 0.0113 0.0320 -0.0152 246 LEU B CG 2277 C CD1 . LEU B 147 ? 0.4432 0.4986 0.4827 0.0068 0.0326 -0.0150 246 LEU B CD1 2278 C CD2 . LEU B 147 ? 0.4106 0.4672 0.4820 0.0158 0.0239 -0.0181 246 LEU B CD2 2279 N N . LYS B 148 ? 0.4117 0.4865 0.5089 0.0026 0.0415 0.0146 247 LYS B N 2280 C CA . LYS B 148 ? 0.4286 0.5141 0.5239 -0.0013 0.0477 0.0285 247 LYS B CA 2281 C C . LYS B 148 ? 0.4313 0.5134 0.5248 -0.0028 0.0415 0.0353 247 LYS B C 2282 O O . LYS B 148 ? 0.4518 0.5252 0.5631 -0.0023 0.0328 0.0355 247 LYS B O 2283 C CB . LYS B 148 ? 0.4411 0.5352 0.5623 -0.0048 0.0507 0.0395 247 LYS B CB 2284 C CG . LYS B 148 ? 0.4252 0.5332 0.5466 -0.0093 0.0577 0.0589 247 LYS B CG 2285 C CD . LYS B 148 ? 0.5302 0.6513 0.6786 -0.0142 0.0631 0.0710 247 LYS B CD 2286 C CE . LYS B 148 ? 0.6471 0.7785 0.8035 -0.0204 0.0671 0.0949 247 LYS B CE 2287 N NZ . LYS B 148 ? 0.7548 0.8662 0.9280 -0.0237 0.0547 0.1011 247 LYS B NZ 2288 N N . MET B 149 ? 0.4038 0.4933 0.4762 -0.0034 0.0448 0.0392 248 MET B N 2289 C CA . MET B 149 ? 0.4150 0.5043 0.4846 -0.0032 0.0383 0.0453 248 MET B CA 2290 C C . MET B 149 ? 0.4575 0.5607 0.5194 -0.0050 0.0433 0.0621 248 MET B C 2291 O O . MET B 149 ? 0.4593 0.5751 0.5008 -0.0050 0.0510 0.0608 248 MET B O 2292 C CB . MET B 149 ? 0.4275 0.5158 0.4785 -0.0018 0.0349 0.0328 248 MET B CB 2293 C CG . MET B 149 ? 0.4415 0.5195 0.4996 0.0006 0.0303 0.0198 248 MET B CG 2294 S SD . MET B 149 ? 0.5136 0.5940 0.5515 -0.0008 0.0290 0.0087 248 MET B SD 2295 C CE . MET B 149 ? 0.6258 0.7031 0.6471 -0.0035 0.0375 0.0027 248 MET B CE 2296 N N . THR B 150 ? 0.4192 0.5200 0.4978 -0.0058 0.0389 0.0781 249 THR B N 2297 C CA . THR B 150 ? 0.4410 0.5558 0.5146 -0.0072 0.0435 0.0992 249 THR B CA 2298 C C . THR B 150 ? 0.4600 0.5678 0.5416 -0.0046 0.0334 0.1102 249 THR B C 2299 O O . THR B 150 ? 0.4712 0.5619 0.5705 -0.0022 0.0241 0.1028 249 THR B O 2300 C CB . THR B 150 ? 0.4787 0.5989 0.5727 -0.0124 0.0511 0.1153 249 THR B CB 2301 O OG1 . THR B 150 ? 0.4965 0.5977 0.6237 -0.0152 0.0430 0.1170 249 THR B OG1 2302 C CG2 . THR B 150 ? 0.4832 0.6147 0.5696 -0.0125 0.0617 0.1042 249 THR B CG2 2303 N N . TYR B 151 ? 0.4487 0.5709 0.5160 -0.0032 0.0348 0.1265 250 TYR B N 2304 C CA . TYR B 151 ? 0.4665 0.5827 0.5423 0.0009 0.0251 0.1408 250 TYR B CA 2305 C C . TYR B 151 ? 0.4847 0.5937 0.5846 -0.0027 0.0257 0.1670 250 TYR B C 2306 O O . TYR B 151 ? 0.4846 0.6078 0.5824 -0.0080 0.0363 0.1823 250 TYR B O 2307 C CB . TYR B 151 ? 0.4614 0.5983 0.5092 0.0054 0.0239 0.1456 250 TYR B CB 2308 C CG . TYR B 151 ? 0.4922 0.6312 0.5267 0.0083 0.0180 0.1220 250 TYR B CG 2309 C CD1 . TYR B 151 ? 0.5031 0.6309 0.5520 0.0136 0.0073 0.1153 250 TYR B CD1 2310 C CD2 . TYR B 151 ? 0.4794 0.6320 0.4891 0.0059 0.0230 0.1063 250 TYR B CD2 2311 C CE1 . TYR B 151 ? 0.5348 0.6692 0.5744 0.0152 0.0030 0.0961 250 TYR B CE1 2312 C CE2 . TYR B 151 ? 0.4578 0.6118 0.4595 0.0060 0.0174 0.0866 250 TYR B CE2 2313 C CZ . TYR B 151 ? 0.5031 0.6500 0.5204 0.0101 0.0082 0.0829 250 TYR B CZ 2314 O OH . TYR B 151 ? 0.4650 0.6177 0.4776 0.0094 0.0038 0.0663 250 TYR B OH 2315 N N . LEU B 152 ? 0.5090 0.5967 0.6321 0.0005 0.0141 0.1725 251 LEU B N 2316 C CA . LEU B 152 ? 0.5624 0.6387 0.7106 -0.0030 0.0119 0.2006 251 LEU B CA 2317 C C . LEU B 152 ? 0.6258 0.7225 0.7546 -0.0010 0.0162 0.2277 251 LEU B C 2318 O O . LEU B 152 ? 0.6348 0.7468 0.7367 0.0066 0.0137 0.2221 251 LEU B O 2319 C CB . LEU B 152 ? 0.5505 0.5966 0.7258 0.0029 -0.0037 0.1971 251 LEU B CB 2320 C CG . LEU B 152 ? 0.5615 0.5836 0.7678 -0.0010 -0.0094 0.1812 251 LEU B CG 2321 C CD1 . LEU B 152 ? 0.5099 0.5394 0.7038 -0.0006 -0.0059 0.1509 251 LEU B CD1 2322 C CD2 . LEU B 152 ? 0.5636 0.5575 0.7925 0.0081 -0.0260 0.1763 251 LEU B CD2 2323 N N . PRO B 153 ? 0.6792 0.7792 0.8216 -0.0083 0.0227 0.2579 252 PRO B N 2324 C CA . PRO B 153 ? 0.7442 0.8643 0.8692 -0.0055 0.0264 0.2882 252 PRO B CA 2325 C C . PRO B 153 ? 0.7969 0.8955 0.9373 0.0014 0.0122 0.3066 252 PRO B C 2326 O O . PRO B 153 ? 0.8667 0.9661 1.0159 -0.0011 0.0138 0.3418 252 PRO B O 2327 C CB . PRO B 153 ? 0.7557 0.8876 0.8948 -0.0171 0.0397 0.3144 252 PRO B CB 2328 C CG . PRO B 153 ? 0.7493 0.8517 0.9296 -0.0258 0.0349 0.3066 252 PRO B CG 2329 C CD . PRO B 153 ? 0.6816 0.7706 0.8569 -0.0200 0.0272 0.2663 252 PRO B CD 2330 O OXT . PRO B 153 ? 0.7890 0.8702 0.9341 0.0105 -0.0008 0.2885 252 PRO B OXT # 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 GLY 1 100 ? ? ? A . n A 1 2 MET 2 101 ? ? ? A . n A 1 3 ALA 3 102 102 ALA ALA A . n A 1 4 THR 4 103 103 THR THR A . n A 1 5 CYS 5 104 104 CYS CYS A . n A 1 6 ALA 6 105 105 ALA ALA A . n A 1 7 VAL 7 106 106 VAL VAL A . n A 1 8 GLU 8 107 107 GLU GLU A . n A 1 9 VAL 9 108 108 VAL VAL A . n A 1 10 PHE 10 109 109 PHE PHE A . n A 1 11 GLY 11 110 110 GLY GLY A . n A 1 12 LEU 12 111 111 LEU LEU A . n A 1 13 LEU 13 112 112 LEU LEU A . n A 1 14 GLU 14 113 113 GLU GLU A . n A 1 15 ASP 15 114 114 ASP ASP A . n A 1 16 GLU 16 115 115 GLU GLU A . n A 1 17 GLU 17 116 116 GLU GLU A . n A 1 18 ASN 18 117 117 ASN ASN A . n A 1 19 SER 19 118 118 SER SER A . n A 1 20 ARG 20 119 119 ARG ARG A . n A 1 21 ILE 21 120 120 ILE ILE A . n A 1 22 VAL 22 121 121 VAL VAL A . n A 1 23 ARG 23 122 122 ARG ARG A . n A 1 24 VAL 24 123 123 VAL VAL A . n A 1 25 ARG 25 124 124 ARG ARG A . n A 1 26 VAL 26 125 125 VAL VAL A . n A 1 27 ILE 27 126 126 ILE ILE A . n A 1 28 ALA 28 127 127 ALA ALA A . n A 1 29 GLY 29 128 128 GLY GLY A . n A 1 30 ILE 30 129 129 ILE ILE A . n A 1 31 GLY 31 130 130 GLY GLY A . n A 1 32 LEU 32 131 131 LEU LEU A . n A 1 33 ALA 33 132 132 ALA ALA A . n A 1 34 LYS 34 133 ? ? ? A . n A 1 35 LYS 35 134 ? ? ? A . n A 1 36 ASP 36 135 ? ? ? A . n A 1 37 ILE 37 136 ? ? ? A . n A 1 38 LEU 38 137 ? ? ? A . n A 1 39 GLY 39 138 ? ? ? A . n A 1 40 ALA 40 139 ? ? ? A . n A 1 41 SER 41 140 140 SER SER A . n A 1 42 ASP 42 141 141 ASP ASP A . n A 1 43 PRO 43 142 142 PRO PRO A . n A 1 44 TYR 44 143 143 TYR TYR A . n A 1 45 VAL 45 144 144 VAL VAL A . n A 1 46 ARG 46 145 145 ARG ARG A . n A 1 47 VAL 47 146 146 VAL VAL A . n A 1 48 THR 48 147 147 THR THR A . n A 1 49 LEU 49 148 148 LEU LEU A . n A 1 50 TYR 50 149 149 TYR TYR A . n A 1 51 ASP 51 150 150 ASP ASP A . n A 1 52 PRO 52 151 151 PRO PRO A . n A 1 53 MET 53 152 152 MET MET A . n A 1 54 ASN 54 153 153 ASN ASN A . n A 1 55 GLY 55 154 154 GLY GLY A . n A 1 56 VAL 56 155 155 VAL VAL A . n A 1 57 LEU 57 156 156 LEU LEU A . n A 1 58 THR 58 157 157 THR THR A . n A 1 59 SER 59 158 158 SER SER A . n A 1 60 VAL 60 159 159 VAL VAL A . n A 1 61 GLN 61 160 160 GLN GLN A . n A 1 62 THR 62 161 161 THR THR A . n A 1 63 LYS 63 162 162 LYS LYS A . n A 1 64 THR 64 163 163 THR THR A . n A 1 65 ILE 65 164 164 ILE ILE A . n A 1 66 LYS 66 165 165 LYS LYS A . n A 1 67 LYS 67 166 166 LYS LYS A . n A 1 68 SER 68 167 167 SER SER A . n A 1 69 LEU 69 168 168 LEU LEU A . n A 1 70 ASN 70 169 169 ASN ASN A . n A 1 71 PRO 71 170 170 PRO PRO A . n A 1 72 LYS 72 171 171 LYS LYS A . n A 1 73 TRP 73 172 172 TRP TRP A . n A 1 74 ASN 74 173 173 ASN ASN A . n A 1 75 GLU 75 174 174 GLU GLU A . n A 1 76 GLU 76 175 175 GLU GLU A . n A 1 77 ILE 77 176 176 ILE ILE A . n A 1 78 LEU 78 177 177 LEU LEU A . n A 1 79 PHE 79 178 178 PHE PHE A . n A 1 80 ARG 80 179 179 ARG ARG A . n A 1 81 VAL 81 180 180 VAL VAL A . n A 1 82 HIS 82 181 181 HIS HIS A . n A 1 83 PRO 83 182 182 PRO PRO A . n A 1 84 GLN 84 183 183 GLN GLN A . n A 1 85 GLN 85 184 184 GLN GLN A . n A 1 86 HIS 86 185 185 HIS HIS A . n A 1 87 ARG 87 186 186 ARG ARG A . n A 1 88 LEU 88 187 187 LEU LEU A . n A 1 89 LEU 89 188 188 LEU LEU A . n A 1 90 PHE 90 189 189 PHE PHE A . n A 1 91 GLU 91 190 190 GLU GLU A . n A 1 92 VAL 92 191 191 VAL VAL A . n A 1 93 PHE 93 192 192 PHE PHE A . n A 1 94 ASP 94 193 193 ASP ASP A . n A 1 95 GLU 95 194 194 GLU GLU A . n A 1 96 ASN 96 195 195 ASN ASN A . n A 1 97 ARG 97 196 196 ARG ARG A . n A 1 98 LEU 98 197 197 LEU LEU A . n A 1 99 THR 99 198 198 THR THR A . n A 1 100 ARG 100 199 199 ARG ARG A . n A 1 101 ASP 101 200 200 ASP ASP A . n A 1 102 ASP 102 201 201 ASP ASP A . n A 1 103 PHE 103 202 202 PHE PHE A . n A 1 104 LEU 104 203 203 LEU LEU A . n A 1 105 GLY 105 204 204 GLY GLY A . n A 1 106 GLN 106 205 205 GLN GLN A . n A 1 107 VAL 107 206 206 VAL VAL A . n A 1 108 ASP 108 207 207 ASP ASP A . n A 1 109 VAL 109 208 208 VAL VAL A . n A 1 110 PRO 110 209 209 PRO PRO A . n A 1 111 LEU 111 210 210 LEU LEU A . n A 1 112 TYR 112 211 211 TYR TYR A . n A 1 113 PRO 113 212 212 PRO PRO A . n A 1 114 LEU 114 213 213 LEU LEU A . n A 1 115 PRO 115 214 214 PRO PRO A . n A 1 116 THR 116 215 215 THR THR A . n A 1 117 GLU 117 216 216 GLU GLU A . n A 1 118 ASN 118 217 217 ASN ASN A . n A 1 119 PRO 119 218 218 PRO PRO A . n A 1 120 ARG 120 219 219 ARG ARG A . n A 1 121 LEU 121 220 220 LEU LEU A . n A 1 122 GLU 122 221 221 GLU GLU A . n A 1 123 ARG 123 222 222 ARG ARG A . n A 1 124 PRO 124 223 223 PRO PRO A . n A 1 125 TYR 125 224 224 TYR TYR A . n A 1 126 THR 126 225 225 THR THR A . n A 1 127 PHE 127 226 226 PHE PHE A . n A 1 128 LYS 128 227 227 LYS LYS A . n A 1 129 ASP 129 228 228 ASP ASP A . n A 1 130 PHE 130 229 229 PHE PHE A . n A 1 131 VAL 131 230 230 VAL VAL A . n A 1 132 LEU 132 231 231 LEU LEU A . n A 1 133 HIS 133 232 232 HIS HIS A . n A 1 134 PRO 134 233 233 PRO PRO A . n A 1 135 ARG 135 234 234 ARG ARG A . n A 1 136 SER 136 235 235 SER SER A . n A 1 137 HIS 137 236 236 HIS HIS A . n A 1 138 LYS 138 237 237 LYS LYS A . n A 1 139 SER 139 238 238 SER SER A . n A 1 140 ARG 140 239 239 ARG ARG A . n A 1 141 VAL 141 240 240 VAL VAL A . n A 1 142 LYS 142 241 241 LYS LYS A . n A 1 143 GLY 143 242 242 GLY GLY A . n A 1 144 TYR 144 243 243 TYR TYR A . n A 1 145 LEU 145 244 244 LEU LEU A . n A 1 146 ARG 146 245 245 ARG ARG A . n A 1 147 LEU 147 246 246 LEU LEU A . n A 1 148 LYS 148 247 247 LYS LYS A . n A 1 149 MET 149 248 248 MET MET A . n A 1 150 THR 150 249 249 THR THR A . n A 1 151 TYR 151 250 250 TYR TYR A . n A 1 152 LEU 152 251 251 LEU LEU A . n A 1 153 PRO 153 252 252 PRO PRO A . n B 1 1 GLY 1 100 ? ? ? B . n B 1 2 MET 2 101 ? ? ? B . n B 1 3 ALA 3 102 102 ALA ALA B . n B 1 4 THR 4 103 103 THR THR B . n B 1 5 CYS 5 104 104 CYS CYS B . n B 1 6 ALA 6 105 105 ALA ALA B . n B 1 7 VAL 7 106 106 VAL VAL B . n B 1 8 GLU 8 107 107 GLU GLU B . n B 1 9 VAL 9 108 108 VAL VAL B . n B 1 10 PHE 10 109 109 PHE PHE B . n B 1 11 GLY 11 110 110 GLY GLY B . n B 1 12 LEU 12 111 111 LEU LEU B . n B 1 13 LEU 13 112 112 LEU LEU B . n B 1 14 GLU 14 113 113 GLU GLU B . n B 1 15 ASP 15 114 114 ASP ASP B . n B 1 16 GLU 16 115 115 GLU GLU B . n B 1 17 GLU 17 116 116 GLU GLU B . n B 1 18 ASN 18 117 117 ASN ASN B . n B 1 19 SER 19 118 118 SER SER B . n B 1 20 ARG 20 119 119 ARG ARG B . n B 1 21 ILE 21 120 120 ILE ILE B . n B 1 22 VAL 22 121 121 VAL VAL B . n B 1 23 ARG 23 122 122 ARG ARG B . n B 1 24 VAL 24 123 123 VAL VAL B . n B 1 25 ARG 25 124 124 ARG ARG B . n B 1 26 VAL 26 125 125 VAL VAL B . n B 1 27 ILE 27 126 126 ILE ILE B . n B 1 28 ALA 28 127 127 ALA ALA B . n B 1 29 GLY 29 128 128 GLY GLY B . n B 1 30 ILE 30 129 129 ILE ILE B . n B 1 31 GLY 31 130 130 GLY GLY B . n B 1 32 LEU 32 131 131 LEU LEU B . n B 1 33 ALA 33 132 132 ALA ALA B . n B 1 34 LYS 34 133 133 LYS LYS B . n B 1 35 LYS 35 134 134 LYS LYS B . n B 1 36 ASP 36 135 135 ASP ASP B . n B 1 37 ILE 37 136 136 ILE ILE B . n B 1 38 LEU 38 137 137 LEU LEU B . n B 1 39 GLY 39 138 138 GLY GLY B . n B 1 40 ALA 40 139 139 ALA ALA B . n B 1 41 SER 41 140 140 SER SER B . n B 1 42 ASP 42 141 141 ASP ASP B . n B 1 43 PRO 43 142 142 PRO PRO B . n B 1 44 TYR 44 143 143 TYR TYR B . n B 1 45 VAL 45 144 144 VAL VAL B . n B 1 46 ARG 46 145 145 ARG ARG B . n B 1 47 VAL 47 146 146 VAL VAL B . n B 1 48 THR 48 147 147 THR THR B . n B 1 49 LEU 49 148 148 LEU LEU B . n B 1 50 TYR 50 149 149 TYR TYR B . n B 1 51 ASP 51 150 150 ASP ASP B . n B 1 52 PRO 52 151 151 PRO PRO B . n B 1 53 MET 53 152 152 MET MET B . n B 1 54 ASN 54 153 153 ASN ASN B . n B 1 55 GLY 55 154 154 GLY GLY B . n B 1 56 VAL 56 155 155 VAL VAL B . n B 1 57 LEU 57 156 156 LEU LEU B . n B 1 58 THR 58 157 157 THR THR B . n B 1 59 SER 59 158 158 SER SER B . n B 1 60 VAL 60 159 159 VAL VAL B . n B 1 61 GLN 61 160 160 GLN GLN B . n B 1 62 THR 62 161 161 THR THR B . n B 1 63 LYS 63 162 162 LYS LYS B . n B 1 64 THR 64 163 163 THR THR B . n B 1 65 ILE 65 164 164 ILE ILE B . n B 1 66 LYS 66 165 165 LYS LYS B . n B 1 67 LYS 67 166 166 LYS LYS B . n B 1 68 SER 68 167 167 SER SER B . n B 1 69 LEU 69 168 168 LEU LEU B . n B 1 70 ASN 70 169 169 ASN ASN B . n B 1 71 PRO 71 170 170 PRO PRO B . n B 1 72 LYS 72 171 171 LYS LYS B . n B 1 73 TRP 73 172 172 TRP TRP B . n B 1 74 ASN 74 173 173 ASN ASN B . n B 1 75 GLU 75 174 174 GLU GLU B . n B 1 76 GLU 76 175 175 GLU GLU B . n B 1 77 ILE 77 176 176 ILE ILE B . n B 1 78 LEU 78 177 177 LEU LEU B . n B 1 79 PHE 79 178 178 PHE PHE B . n B 1 80 ARG 80 179 179 ARG ARG B . n B 1 81 VAL 81 180 180 VAL VAL B . n B 1 82 HIS 82 181 181 HIS HIS B . n B 1 83 PRO 83 182 182 PRO PRO B . n B 1 84 GLN 84 183 183 GLN GLN B . n B 1 85 GLN 85 184 184 GLN GLN B . n B 1 86 HIS 86 185 185 HIS HIS B . n B 1 87 ARG 87 186 186 ARG ARG B . n B 1 88 LEU 88 187 187 LEU LEU B . n B 1 89 LEU 89 188 188 LEU LEU B . n B 1 90 PHE 90 189 189 PHE PHE B . n B 1 91 GLU 91 190 190 GLU GLU B . n B 1 92 VAL 92 191 191 VAL VAL B . n B 1 93 PHE 93 192 192 PHE PHE B . n B 1 94 ASP 94 193 193 ASP ASP B . n B 1 95 GLU 95 194 194 GLU GLU B . n B 1 96 ASN 96 195 195 ASN ASN B . n B 1 97 ARG 97 196 196 ARG ARG B . n B 1 98 LEU 98 197 197 LEU LEU B . n B 1 99 THR 99 198 198 THR THR B . n B 1 100 ARG 100 199 199 ARG ARG B . n B 1 101 ASP 101 200 200 ASP ASP B . n B 1 102 ASP 102 201 201 ASP ASP B . n B 1 103 PHE 103 202 202 PHE PHE B . n B 1 104 LEU 104 203 203 LEU LEU B . n B 1 105 GLY 105 204 204 GLY GLY B . n B 1 106 GLN 106 205 205 GLN GLN B . n B 1 107 VAL 107 206 206 VAL VAL B . n B 1 108 ASP 108 207 207 ASP ASP B . n B 1 109 VAL 109 208 208 VAL VAL B . n B 1 110 PRO 110 209 209 PRO PRO B . n B 1 111 LEU 111 210 210 LEU LEU B . n B 1 112 TYR 112 211 211 TYR TYR B . n B 1 113 PRO 113 212 212 PRO PRO B . n B 1 114 LEU 114 213 213 LEU LEU B . n B 1 115 PRO 115 214 214 PRO PRO B . n B 1 116 THR 116 215 215 THR THR B . n B 1 117 GLU 117 216 216 GLU GLU B . n B 1 118 ASN 118 217 217 ASN ASN B . n B 1 119 PRO 119 218 ? ? ? B . n B 1 120 ARG 120 219 ? ? ? B . n B 1 121 LEU 121 220 ? ? ? B . n B 1 122 GLU 122 221 ? ? ? B . n B 1 123 ARG 123 222 ? ? ? B . n B 1 124 PRO 124 223 223 PRO PRO B . n B 1 125 TYR 125 224 224 TYR TYR B . n B 1 126 THR 126 225 225 THR THR B . n B 1 127 PHE 127 226 226 PHE PHE B . n B 1 128 LYS 128 227 227 LYS LYS B . n B 1 129 ASP 129 228 228 ASP ASP B . n B 1 130 PHE 130 229 229 PHE PHE B . n B 1 131 VAL 131 230 230 VAL VAL B . n B 1 132 LEU 132 231 231 LEU LEU B . n B 1 133 HIS 133 232 232 HIS HIS B . n B 1 134 PRO 134 233 233 PRO PRO B . n B 1 135 ARG 135 234 234 ARG ARG B . n B 1 136 SER 136 235 235 SER SER B . n B 1 137 HIS 137 236 236 HIS HIS B . n B 1 138 LYS 138 237 237 LYS LYS B . n B 1 139 SER 139 238 238 SER SER B . n B 1 140 ARG 140 239 239 ARG ARG B . n B 1 141 VAL 141 240 240 VAL VAL B . n B 1 142 LYS 142 241 241 LYS LYS B . n B 1 143 GLY 143 242 242 GLY GLY B . n B 1 144 TYR 144 243 243 TYR TYR B . n B 1 145 LEU 145 244 244 LEU LEU B . n B 1 146 ARG 146 245 245 ARG ARG B . n B 1 147 LEU 147 246 246 LEU LEU B . n B 1 148 LYS 148 247 247 LYS LYS B . n B 1 149 MET 149 248 248 MET MET B . n B 1 150 THR 150 249 249 THR THR B . n B 1 151 TYR 151 250 250 TYR TYR B . n B 1 152 LEU 152 251 251 LEU LEU B . n B 1 153 PRO 153 252 252 PRO PRO B . n # _pdbx_SG_project.id 1 _pdbx_SG_project.project_name ? _pdbx_SG_project.full_name_of_center 'Structural Genomics Consortium' _pdbx_SG_project.initial_of_center SGC # 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 C 2 CA 1 301 1000 CA CA A . D 2 CA 1 302 1001 CA CA A . E 3 HOH 1 303 4 HOH HOH A . E 3 HOH 2 304 7 HOH HOH A . E 3 HOH 3 305 8 HOH HOH A . E 3 HOH 4 306 16 HOH HOH A . E 3 HOH 5 307 18 HOH HOH A . E 3 HOH 6 308 21 HOH HOH A . E 3 HOH 7 309 27 HOH HOH A . E 3 HOH 8 310 28 HOH HOH A . E 3 HOH 9 311 29 HOH HOH A . E 3 HOH 10 312 32 HOH HOH A . E 3 HOH 11 313 33 HOH HOH A . E 3 HOH 12 314 34 HOH HOH A . E 3 HOH 13 315 36 HOH HOH A . E 3 HOH 14 316 37 HOH HOH A . E 3 HOH 15 317 40 HOH HOH A . E 3 HOH 16 318 43 HOH HOH A . E 3 HOH 17 319 45 HOH HOH A . E 3 HOH 18 320 47 HOH HOH A . E 3 HOH 19 321 49 HOH HOH A . E 3 HOH 20 322 51 HOH HOH A . E 3 HOH 21 323 54 HOH HOH A . E 3 HOH 22 324 55 HOH HOH A . E 3 HOH 23 325 56 HOH HOH A . E 3 HOH 24 326 61 HOH HOH A . E 3 HOH 25 327 62 HOH HOH A . E 3 HOH 26 328 68 HOH HOH A . E 3 HOH 27 329 73 HOH HOH A . E 3 HOH 28 330 77 HOH HOH A . E 3 HOH 29 331 80 HOH HOH A . E 3 HOH 30 332 82 HOH HOH A . E 3 HOH 31 333 84 HOH HOH A . E 3 HOH 32 334 85 HOH HOH A . E 3 HOH 33 335 89 HOH HOH A . E 3 HOH 34 336 90 HOH HOH A . E 3 HOH 35 337 92 HOH HOH A . E 3 HOH 36 338 94 HOH HOH A . E 3 HOH 37 339 97 HOH HOH A . E 3 HOH 38 340 98 HOH HOH A . E 3 HOH 39 341 99 HOH HOH A . E 3 HOH 40 342 105 HOH HOH A . E 3 HOH 41 343 108 HOH HOH A . E 3 HOH 42 344 112 HOH HOH A . E 3 HOH 43 345 113 HOH HOH A . E 3 HOH 44 346 114 HOH HOH A . E 3 HOH 45 347 115 HOH HOH A . E 3 HOH 46 348 116 HOH HOH A . E 3 HOH 47 349 120 HOH HOH A . E 3 HOH 48 350 121 HOH HOH A . E 3 HOH 49 351 127 HOH HOH A . E 3 HOH 50 352 129 HOH HOH A . E 3 HOH 51 353 130 HOH HOH A . E 3 HOH 52 354 136 HOH HOH A . E 3 HOH 53 355 139 HOH HOH A . E 3 HOH 54 356 141 HOH HOH A . E 3 HOH 55 357 145 HOH HOH A . E 3 HOH 56 358 147 HOH HOH A . E 3 HOH 57 359 149 HOH HOH A . E 3 HOH 58 360 150 HOH HOH A . E 3 HOH 59 361 151 HOH HOH A . E 3 HOH 60 362 155 HOH HOH A . E 3 HOH 61 363 156 HOH HOH A . E 3 HOH 62 364 159 HOH HOH A . E 3 HOH 63 365 160 HOH HOH A . E 3 HOH 64 366 162 HOH HOH A . E 3 HOH 65 367 163 HOH HOH A . E 3 HOH 66 368 165 HOH HOH A . E 3 HOH 67 369 166 HOH HOH A . E 3 HOH 68 370 170 HOH HOH A . E 3 HOH 69 371 175 HOH HOH A . E 3 HOH 70 372 176 HOH HOH A . E 3 HOH 71 373 178 HOH HOH A . E 3 HOH 72 374 179 HOH HOH A . E 3 HOH 73 375 180 HOH HOH A . E 3 HOH 74 376 185 HOH HOH A . E 3 HOH 75 377 186 HOH HOH A . E 3 HOH 76 378 187 HOH HOH A . E 3 HOH 77 379 188 HOH HOH A . E 3 HOH 78 380 189 HOH HOH A . E 3 HOH 79 381 190 HOH HOH A . E 3 HOH 80 382 191 HOH HOH A . E 3 HOH 81 383 192 HOH HOH A . E 3 HOH 82 384 193 HOH HOH A . E 3 HOH 83 385 194 HOH HOH A . E 3 HOH 84 386 200 HOH HOH A . E 3 HOH 85 387 205 HOH HOH A . E 3 HOH 86 388 209 HOH HOH A . E 3 HOH 87 389 211 HOH HOH A . E 3 HOH 88 390 212 HOH HOH A . E 3 HOH 89 391 218 HOH HOH A . F 3 HOH 1 253 1 HOH HOH B . F 3 HOH 2 254 2 HOH HOH B . F 3 HOH 3 255 3 HOH HOH B . F 3 HOH 4 256 5 HOH HOH B . F 3 HOH 5 257 6 HOH HOH B . F 3 HOH 6 258 9 HOH HOH B . F 3 HOH 7 259 10 HOH HOH B . F 3 HOH 8 260 11 HOH HOH B . F 3 HOH 9 261 12 HOH HOH B . F 3 HOH 10 262 13 HOH HOH B . F 3 HOH 11 263 14 HOH HOH B . F 3 HOH 12 264 15 HOH HOH B . F 3 HOH 13 265 17 HOH HOH B . F 3 HOH 14 266 19 HOH HOH B . F 3 HOH 15 267 20 HOH HOH B . F 3 HOH 16 268 22 HOH HOH B . F 3 HOH 17 269 23 HOH HOH B . F 3 HOH 18 270 24 HOH HOH B . F 3 HOH 19 271 25 HOH HOH B . F 3 HOH 20 272 26 HOH HOH B . F 3 HOH 21 273 30 HOH HOH B . F 3 HOH 22 274 31 HOH HOH B . F 3 HOH 23 275 35 HOH HOH B . F 3 HOH 24 276 38 HOH HOH B . F 3 HOH 25 277 39 HOH HOH B . F 3 HOH 26 278 41 HOH HOH B . F 3 HOH 27 279 42 HOH HOH B . F 3 HOH 28 280 44 HOH HOH B . F 3 HOH 29 281 46 HOH HOH B . F 3 HOH 30 282 48 HOH HOH B . F 3 HOH 31 283 50 HOH HOH B . F 3 HOH 32 284 52 HOH HOH B . F 3 HOH 33 285 53 HOH HOH B . F 3 HOH 34 286 57 HOH HOH B . F 3 HOH 35 287 58 HOH HOH B . F 3 HOH 36 288 59 HOH HOH B . F 3 HOH 37 289 60 HOH HOH B . F 3 HOH 38 290 63 HOH HOH B . F 3 HOH 39 291 64 HOH HOH B . F 3 HOH 40 292 65 HOH HOH B . F 3 HOH 41 293 66 HOH HOH B . F 3 HOH 42 294 67 HOH HOH B . F 3 HOH 43 295 69 HOH HOH B . F 3 HOH 44 296 70 HOH HOH B . F 3 HOH 45 297 71 HOH HOH B . F 3 HOH 46 298 72 HOH HOH B . F 3 HOH 47 299 74 HOH HOH B . F 3 HOH 48 300 75 HOH HOH B . F 3 HOH 49 301 76 HOH HOH B . F 3 HOH 50 302 78 HOH HOH B . F 3 HOH 51 303 79 HOH HOH B . F 3 HOH 52 304 81 HOH HOH B . F 3 HOH 53 305 83 HOH HOH B . F 3 HOH 54 306 86 HOH HOH B . F 3 HOH 55 307 87 HOH HOH B . F 3 HOH 56 308 88 HOH HOH B . F 3 HOH 57 309 91 HOH HOH B . F 3 HOH 58 310 93 HOH HOH B . F 3 HOH 59 311 95 HOH HOH B . F 3 HOH 60 312 96 HOH HOH B . F 3 HOH 61 313 100 HOH HOH B . F 3 HOH 62 314 101 HOH HOH B . F 3 HOH 63 315 102 HOH HOH B . F 3 HOH 64 316 103 HOH HOH B . F 3 HOH 65 317 104 HOH HOH B . F 3 HOH 66 318 106 HOH HOH B . F 3 HOH 67 319 107 HOH HOH B . F 3 HOH 68 320 109 HOH HOH B . F 3 HOH 69 321 110 HOH HOH B . F 3 HOH 70 322 111 HOH HOH B . F 3 HOH 71 323 117 HOH HOH B . F 3 HOH 72 324 118 HOH HOH B . F 3 HOH 73 325 119 HOH HOH B . F 3 HOH 74 326 122 HOH HOH B . F 3 HOH 75 327 123 HOH HOH B . F 3 HOH 76 328 124 HOH HOH B . F 3 HOH 77 329 125 HOH HOH B . F 3 HOH 78 330 126 HOH HOH B . F 3 HOH 79 331 128 HOH HOH B . F 3 HOH 80 332 131 HOH HOH B . F 3 HOH 81 333 132 HOH HOH B . F 3 HOH 82 334 133 HOH HOH B . F 3 HOH 83 335 134 HOH HOH B . F 3 HOH 84 336 135 HOH HOH B . F 3 HOH 85 337 137 HOH HOH B . F 3 HOH 86 338 138 HOH HOH B . F 3 HOH 87 339 140 HOH HOH B . F 3 HOH 88 340 142 HOH HOH B . F 3 HOH 89 341 143 HOH HOH B . F 3 HOH 90 342 144 HOH HOH B . F 3 HOH 91 343 146 HOH HOH B . F 3 HOH 92 344 148 HOH HOH B . F 3 HOH 93 345 152 HOH HOH B . F 3 HOH 94 346 153 HOH HOH B . F 3 HOH 95 347 154 HOH HOH B . F 3 HOH 96 348 157 HOH HOH B . F 3 HOH 97 349 158 HOH HOH B . F 3 HOH 98 350 161 HOH HOH B . F 3 HOH 99 351 164 HOH HOH B . F 3 HOH 100 352 167 HOH HOH B . F 3 HOH 101 353 168 HOH HOH B . F 3 HOH 102 354 169 HOH HOH B . F 3 HOH 103 355 171 HOH HOH B . F 3 HOH 104 356 172 HOH HOH B . F 3 HOH 105 357 173 HOH HOH B . F 3 HOH 106 358 174 HOH HOH B . F 3 HOH 107 359 177 HOH HOH B . F 3 HOH 108 360 181 HOH HOH B . F 3 HOH 109 361 182 HOH HOH B . F 3 HOH 110 362 183 HOH HOH B . F 3 HOH 111 363 184 HOH HOH B . F 3 HOH 112 364 195 HOH HOH B . F 3 HOH 113 365 196 HOH HOH B . F 3 HOH 114 366 197 HOH HOH B . F 3 HOH 115 367 198 HOH HOH B . F 3 HOH 116 368 199 HOH HOH B . F 3 HOH 117 369 201 HOH HOH B . F 3 HOH 118 370 202 HOH HOH B . F 3 HOH 119 371 203 HOH HOH B . F 3 HOH 120 372 204 HOH HOH B . F 3 HOH 121 373 206 HOH HOH B . F 3 HOH 122 374 207 HOH HOH B . F 3 HOH 123 375 208 HOH HOH B . F 3 HOH 124 376 210 HOH HOH B . F 3 HOH 125 377 213 HOH HOH B . F 3 HOH 126 378 214 HOH HOH B . F 3 HOH 127 379 215 HOH HOH B . F 3 HOH 128 380 216 HOH HOH B . F 3 HOH 129 381 217 HOH HOH B . F 3 HOH 130 382 219 HOH HOH B . # loop_ _pdbx_struct_assembly.id _pdbx_struct_assembly.details _pdbx_struct_assembly.method_details _pdbx_struct_assembly.oligomeric_details _pdbx_struct_assembly.oligomeric_count 1 author_and_software_defined_assembly PISA monomeric 1 2 author_and_software_defined_assembly PISA monomeric 1 # loop_ _pdbx_struct_assembly_gen.assembly_id _pdbx_struct_assembly_gen.oper_expression _pdbx_struct_assembly_gen.asym_id_list 1 1 A,C,D,E 2 1 B,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 # loop_ _pdbx_struct_conn_angle.id _pdbx_struct_conn_angle.ptnr1_label_atom_id _pdbx_struct_conn_angle.ptnr1_label_alt_id _pdbx_struct_conn_angle.ptnr1_label_asym_id _pdbx_struct_conn_angle.ptnr1_label_comp_id _pdbx_struct_conn_angle.ptnr1_label_seq_id _pdbx_struct_conn_angle.ptnr1_auth_atom_id _pdbx_struct_conn_angle.ptnr1_auth_asym_id _pdbx_struct_conn_angle.ptnr1_auth_comp_id _pdbx_struct_conn_angle.ptnr1_auth_seq_id _pdbx_struct_conn_angle.ptnr1_PDB_ins_code _pdbx_struct_conn_angle.ptnr1_symmetry _pdbx_struct_conn_angle.ptnr2_label_atom_id _pdbx_struct_conn_angle.ptnr2_label_alt_id _pdbx_struct_conn_angle.ptnr2_label_asym_id _pdbx_struct_conn_angle.ptnr2_label_comp_id _pdbx_struct_conn_angle.ptnr2_label_seq_id _pdbx_struct_conn_angle.ptnr2_auth_atom_id _pdbx_struct_conn_angle.ptnr2_auth_asym_id _pdbx_struct_conn_angle.ptnr2_auth_comp_id _pdbx_struct_conn_angle.ptnr2_auth_seq_id _pdbx_struct_conn_angle.ptnr2_PDB_ins_code _pdbx_struct_conn_angle.ptnr2_symmetry _pdbx_struct_conn_angle.ptnr3_label_atom_id _pdbx_struct_conn_angle.ptnr3_label_alt_id _pdbx_struct_conn_angle.ptnr3_label_asym_id _pdbx_struct_conn_angle.ptnr3_label_comp_id _pdbx_struct_conn_angle.ptnr3_label_seq_id _pdbx_struct_conn_angle.ptnr3_auth_atom_id _pdbx_struct_conn_angle.ptnr3_auth_asym_id _pdbx_struct_conn_angle.ptnr3_auth_comp_id _pdbx_struct_conn_angle.ptnr3_auth_seq_id _pdbx_struct_conn_angle.ptnr3_PDB_ins_code _pdbx_struct_conn_angle.ptnr3_symmetry _pdbx_struct_conn_angle.value _pdbx_struct_conn_angle.value_esd 1 OD2 ? A ASP 42 ? A ASP 141 ? 1_555 CA ? D CA . ? A CA 302 ? 1_555 O ? A GLU 95 ? A GLU 194 ? 1_555 90.5 ? 2 OD2 ? A ASP 42 ? A ASP 141 ? 1_555 CA ? D CA . ? A CA 302 ? 1_555 OD1 ? A ASN 96 ? A ASN 195 ? 1_555 175.7 ? 3 O ? A GLU 95 ? A GLU 194 ? 1_555 CA ? D CA . ? A CA 302 ? 1_555 OD1 ? A ASN 96 ? A ASN 195 ? 1_555 87.1 ? 4 O ? A ASN 96 ? A ASN 195 ? 1_555 CA ? C CA . ? A CA 301 ? 1_555 O ? A THR 99 ? A THR 198 ? 1_555 92.8 ? 5 O ? A ASN 96 ? A ASN 195 ? 1_555 CA ? C CA . ? A CA 301 ? 1_555 OD1 ? A ASP 101 ? A ASP 200 ? 1_555 92.3 ? 6 O ? A THR 99 ? A THR 198 ? 1_555 CA ? C CA . ? A CA 301 ? 1_555 OD1 ? A ASP 101 ? A ASP 200 ? 1_555 118.5 ? # 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 2007-11-27 2 'Structure model' 1 1 2011-07-13 # _pdbx_audit_revision_details.ordinal 1 _pdbx_audit_revision_details.revision_ordinal 1 _pdbx_audit_revision_details.data_content_type 'Structure model' _pdbx_audit_revision_details.provider repository _pdbx_audit_revision_details.type 'Initial release' _pdbx_audit_revision_details.description ? # _pdbx_audit_revision_group.ordinal 1 _pdbx_audit_revision_group.revision_ordinal 2 _pdbx_audit_revision_group.data_content_type 'Structure model' _pdbx_audit_revision_group.group 'Version format compliance' # loop_ _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] _pdbx_refine_tls.pdbx_refine_id 1 ? refined -2.2542 27.7556 -2.8359 0.0801 0.1308 0.2440 -0.0366 0.0895 -0.0174 9.8663 20.4287 0.8019 9.9684 2.7717 3.2906 -0.2492 0.6049 -0.5439 -0.3118 0.4639 -1.6196 -0.1463 0.3980 -0.2147 'X-RAY DIFFRACTION' 2 ? refined -13.3531 28.0867 -3.1284 0.1357 0.0614 0.0962 0.0156 -0.0036 0.0170 5.4025 8.5501 43.3586 -0.4376 0.2412 1.3695 0.3988 0.3563 0.1665 -0.8965 0.2114 0.1182 -0.4775 -0.7543 -0.6101 'X-RAY DIFFRACTION' 3 ? refined -10.7567 20.2651 14.5247 0.2021 0.1666 0.0772 0.0374 -0.0314 0.0086 0.9351 5.8387 3.1960 1.0609 0.0396 2.2891 0.0377 -0.2672 -0.1070 0.8860 0.0471 -0.1340 0.3676 0.1112 -0.0848 'X-RAY DIFFRACTION' 4 ? refined -9.0053 15.7624 2.9736 0.0458 0.0649 0.0697 -0.0026 0.0133 0.0109 3.4996 6.5794 7.4393 -0.1385 1.0597 4.0207 0.0154 0.1397 -0.2561 -0.0201 0.1986 -0.2447 0.0737 0.0671 -0.2140 'X-RAY DIFFRACTION' 5 ? refined -10.6059 21.8579 9.5613 0.0720 0.0807 0.0854 0.0109 -0.0044 -0.0032 2.2245 4.2539 3.4382 0.3305 0.3245 1.6107 0.0451 -0.1891 -0.0119 0.3541 0.0614 -0.1542 0.1642 0.0185 -0.1064 'X-RAY DIFFRACTION' 6 ? refined -7.1610 12.1311 17.8991 0.3471 0.1223 0.2507 0.0136 -0.1635 0.0969 12.9042 7.5482 6.2813 0.0816 2.9863 -0.9670 0.2020 -0.8965 -0.8492 1.1314 -0.1728 -1.1230 0.4518 0.3149 -0.0292 'X-RAY DIFFRACTION' 7 ? refined -19.2723 33.0504 2.0793 0.2584 0.1903 0.2512 0.1019 -0.0519 0.0480 3.6411 4.5822 4.5436 -2.1778 -1.4473 3.8856 0.1993 0.1759 0.6615 -0.5897 -0.2213 0.2212 -0.9802 -0.4026 0.0220 'X-RAY DIFFRACTION' 8 ? refined -19.1790 15.2103 15.8131 0.1911 0.1549 0.0861 -0.0661 0.0980 0.0166 3.6268 24.9577 1.8295 -2.8733 2.3476 0.7913 0.4072 -0.1308 -0.4783 1.2664 -0.3857 0.8829 0.3000 -0.2219 -0.0215 'X-RAY DIFFRACTION' 9 ? refined -18.2390 18.5446 19.2248 0.3727 0.1871 0.0800 -0.0866 0.1154 0.0025 2.3319 15.9895 5.4684 -1.8065 3.1682 1.6664 0.0868 -0.3629 -0.1089 1.6880 0.0709 0.5851 0.8292 -0.7127 -0.1577 'X-RAY DIFFRACTION' 10 ? refined -16.8363 30.8663 -0.1951 0.1864 0.0469 0.0889 0.0762 -0.0264 0.0005 10.4952 2.4884 20.0660 -3.2425 5.7751 3.2263 0.0129 0.2086 0.0672 -0.2674 -0.1210 0.1712 -1.1008 -0.4855 0.1082 'X-RAY DIFFRACTION' 11 ? refined 14.1823 -10.4262 0.0983 0.1108 0.0542 0.2453 -0.0219 0.0213 -0.0147 12.6498 7.2326 2.3061 9.4965 1.7568 1.7804 0.0060 0.4334 -0.6624 -0.0974 0.1704 -0.3645 0.4777 0.1080 -0.1764 'X-RAY DIFFRACTION' 12 ? refined 12.9593 -2.8526 8.0085 0.1125 0.0536 0.1323 -0.0108 0.0381 0.0532 17.2343 7.1863 11.4676 -9.5009 10.0403 -5.4316 -0.1630 -0.1369 -0.3149 0.4160 0.1605 0.1206 0.1368 0.1227 0.0024 'X-RAY DIFFRACTION' 13 ? refined 0.9739 10.6863 -14.2809 0.0853 0.1455 0.1057 0.0015 -0.0076 -0.0453 3.0812 2.6383 3.6990 0.2353 0.5627 -1.1554 -0.1307 0.3284 0.0402 -0.1920 0.0833 0.1774 -0.1767 -0.2322 0.0474 'X-RAY DIFFRACTION' 14 ? refined 20.4054 4.2644 -1.8591 0.0704 0.0937 0.1335 -0.0003 0.0282 0.0060 12.0100 4.8602 7.4143 3.0065 6.9774 4.3205 0.1424 0.2284 -0.4210 0.1632 0.0560 -0.3000 0.1622 0.3150 -0.1985 'X-RAY DIFFRACTION' 15 ? refined 1.3352 2.6906 -9.7907 0.0344 0.0958 0.1396 -0.0339 0.0234 -0.0578 5.2245 5.0760 5.1495 -2.5246 1.8869 -2.7612 -0.0609 0.0661 -0.5334 -0.0001 0.1221 0.2059 0.0835 -0.3150 -0.0612 'X-RAY DIFFRACTION' 16 ? refined 16.8580 2.2044 5.1546 0.0652 0.0941 0.1551 0.0017 0.0165 0.0342 3.0957 8.1927 2.7442 0.5999 0.7290 -1.8661 -0.0381 -0.2410 -0.1904 0.3437 -0.0669 -0.3030 -0.0205 0.1081 0.1050 'X-RAY DIFFRACTION' 17 ? refined 9.6935 10.2641 -16.4629 0.1119 0.1344 0.1022 -0.0296 0.0048 -0.0278 1.4384 1.9824 7.3546 -1.0131 0.4998 1.7887 -0.0791 0.1902 0.0108 -0.2544 -0.1239 0.0399 -0.2580 -0.0131 0.2030 'X-RAY DIFFRACTION' 18 ? refined 8.6094 5.1910 9.4763 0.1430 0.2370 0.1219 0.0088 0.0662 0.0178 2.7788 4.3551 8.0116 -1.4807 -0.7216 -4.2476 -0.2955 -0.3956 -0.1546 0.4173 0.3943 0.4031 0.0225 -0.6839 -0.0987 'X-RAY DIFFRACTION' 19 ? refined 4.8054 12.6626 0.2816 0.0613 0.1336 0.0864 0.0553 0.0131 -0.0136 17.7213 5.3803 10.3105 7.9317 -10.8236 -4.5768 -0.0705 -1.1229 -0.2026 0.2563 -0.2288 -0.1127 -0.2378 0.6490 0.2993 'X-RAY DIFFRACTION' 20 ? refined 6.4024 10.5435 -1.7810 0.0619 0.1041 0.0857 0.0108 0.0335 -0.0220 3.6703 1.5564 2.5000 -0.8059 0.7059 -0.1022 0.1227 -0.0082 -0.0433 0.0491 -0.0916 0.1340 -0.2180 0.1023 -0.0311 'X-RAY DIFFRACTION' # loop_ _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.pdbx_refine_id _pdbx_refine_tls_group.selection_details 1 1 A 102 A 3 A 114 A 15 ? 'X-RAY DIFFRACTION' ? 2 2 A 115 A 16 A 124 A 25 ? 'X-RAY DIFFRACTION' ? 3 3 A 125 A 26 A 149 A 50 ? 'X-RAY DIFFRACTION' ? 4 4 A 150 A 51 A 164 A 65 ? 'X-RAY DIFFRACTION' ? 5 5 A 165 A 66 A 195 A 96 ? 'X-RAY DIFFRACTION' ? 6 6 A 196 A 97 A 207 A 108 ? 'X-RAY DIFFRACTION' ? 7 7 A 208 A 109 A 225 A 126 ? 'X-RAY DIFFRACTION' ? 8 8 A 226 A 127 A 237 A 138 ? 'X-RAY DIFFRACTION' ? 9 9 A 238 A 139 A 246 A 147 ? 'X-RAY DIFFRACTION' ? 10 10 A 247 A 148 A 252 A 153 ? 'X-RAY DIFFRACTION' ? 11 11 B 102 B 3 B 114 B 15 ? 'X-RAY DIFFRACTION' ? 12 12 B 115 B 16 B 124 B 25 ? 'X-RAY DIFFRACTION' ? 13 13 B 125 B 26 B 144 B 45 ? 'X-RAY DIFFRACTION' ? 14 14 B 145 B 46 B 158 B 59 ? 'X-RAY DIFFRACTION' ? 15 15 B 159 B 60 B 176 B 77 ? 'X-RAY DIFFRACTION' ? 16 16 B 177 B 78 B 188 B 89 ? 'X-RAY DIFFRACTION' ? 17 17 B 189 B 90 B 205 B 106 ? 'X-RAY DIFFRACTION' ? 18 18 B 206 B 107 B 223 B 124 ? 'X-RAY DIFFRACTION' ? 19 19 B 224 B 125 B 234 B 135 ? 'X-RAY DIFFRACTION' ? 20 20 B 235 B 136 B 252 B 153 ? 'X-RAY DIFFRACTION' ? # loop_ _software.name _software.classification _software.version _software.citation_id _software.pdbx_ordinal REFMAC refinement 5.2.0019 ? 1 HKL-2000 'data collection' . ? 2 HKL-2000 'data reduction' . ? 3 HKL-2000 'data scaling' . ? 4 PHASER phasing . ? 5 # 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 LYS A 171 ? ? -112.33 78.53 2 1 ASP B 114 ? ? -62.01 77.45 3 1 ALA B 139 ? ? -81.51 45.23 4 1 THR B 198 ? ? 80.35 -4.76 5 1 THR B 198 ? ? 80.35 -3.36 6 1 ARG B 199 ? A -118.95 -155.77 7 1 ARG B 199 ? B -116.63 -148.73 # loop_ _pdbx_unobs_or_zero_occ_atoms.id _pdbx_unobs_or_zero_occ_atoms.PDB_model_num _pdbx_unobs_or_zero_occ_atoms.polymer_flag _pdbx_unobs_or_zero_occ_atoms.occupancy_flag _pdbx_unobs_or_zero_occ_atoms.auth_asym_id _pdbx_unobs_or_zero_occ_atoms.auth_comp_id _pdbx_unobs_or_zero_occ_atoms.auth_seq_id _pdbx_unobs_or_zero_occ_atoms.PDB_ins_code _pdbx_unobs_or_zero_occ_atoms.auth_atom_id _pdbx_unobs_or_zero_occ_atoms.label_alt_id _pdbx_unobs_or_zero_occ_atoms.label_asym_id _pdbx_unobs_or_zero_occ_atoms.label_comp_id _pdbx_unobs_or_zero_occ_atoms.label_seq_id _pdbx_unobs_or_zero_occ_atoms.label_atom_id 1 1 Y 1 A LEU 112 ? CG ? A LEU 13 CG 2 1 Y 1 A LEU 112 ? CD1 ? A LEU 13 CD1 3 1 Y 1 A LEU 112 ? CD2 ? A LEU 13 CD2 4 1 Y 1 A GLU 113 ? CG ? A GLU 14 CG 5 1 Y 1 A GLU 113 ? CD ? A GLU 14 CD 6 1 Y 1 A GLU 113 ? OE1 ? A GLU 14 OE1 7 1 Y 1 A GLU 113 ? OE2 ? A GLU 14 OE2 8 1 Y 1 A ASP 114 ? CG ? A ASP 15 CG 9 1 Y 1 A ASP 114 ? OD1 ? A ASP 15 OD1 10 1 Y 1 A ASP 114 ? OD2 ? A ASP 15 OD2 11 1 Y 1 A GLU 116 ? CG ? A GLU 17 CG 12 1 Y 1 A GLU 116 ? CD ? A GLU 17 CD 13 1 Y 1 A GLU 116 ? OE1 ? A GLU 17 OE1 14 1 Y 1 A GLU 116 ? OE2 ? A GLU 17 OE2 15 1 Y 1 A ASN 117 ? CG ? A ASN 18 CG 16 1 Y 1 A ASN 117 ? OD1 ? A ASN 18 OD1 17 1 Y 1 A ASN 117 ? ND2 ? A ASN 18 ND2 18 1 Y 1 A ARG 145 ? CZ ? A ARG 46 CZ 19 1 Y 1 A ARG 145 ? NH1 ? A ARG 46 NH1 20 1 Y 1 A ARG 145 ? NH2 ? A ARG 46 NH2 21 1 Y 1 A LYS 162 ? CE ? A LYS 63 CE 22 1 Y 1 A LYS 162 ? NZ ? A LYS 63 NZ 23 1 Y 1 A LYS 165 ? CD ? A LYS 66 CD 24 1 Y 1 A LYS 165 ? CE ? A LYS 66 CE 25 1 Y 1 A LYS 165 ? NZ ? A LYS 66 NZ 26 1 Y 1 A LYS 166 ? CD ? A LYS 67 CD 27 1 Y 1 A LYS 166 ? CE ? A LYS 67 CE 28 1 Y 1 A LYS 166 ? NZ ? A LYS 67 NZ 29 1 Y 1 A LYS 171 ? NZ ? A LYS 72 NZ 30 1 Y 1 A ARG 196 ? CG ? A ARG 97 CG 31 1 Y 1 A ARG 196 ? CD ? A ARG 97 CD 32 1 Y 1 A ARG 196 ? NE ? A ARG 97 NE 33 1 Y 1 A ARG 196 ? CZ ? A ARG 97 CZ 34 1 Y 1 A ARG 196 ? NH1 ? A ARG 97 NH1 35 1 Y 1 A ARG 196 ? NH2 ? A ARG 97 NH2 36 1 Y 1 A LEU 197 ? CG ? A LEU 98 CG 37 1 Y 1 A LEU 197 ? CD1 ? A LEU 98 CD1 38 1 Y 1 A LEU 197 ? CD2 ? A LEU 98 CD2 39 1 Y 1 A ARG 199 ? CG ? A ARG 100 CG 40 1 Y 1 A ARG 199 ? CD ? A ARG 100 CD 41 1 Y 1 A ARG 199 ? NE ? A ARG 100 NE 42 1 Y 1 A ARG 199 ? CZ ? A ARG 100 CZ 43 1 Y 1 A ARG 199 ? NH1 ? A ARG 100 NH1 44 1 Y 1 A ARG 199 ? NH2 ? A ARG 100 NH2 45 1 Y 1 A ARG 219 ? NE ? A ARG 120 NE 46 1 Y 1 A ARG 219 ? CZ ? A ARG 120 CZ 47 1 Y 1 A ARG 219 ? NH1 ? A ARG 120 NH1 48 1 Y 1 A ARG 219 ? NH2 ? A ARG 120 NH2 49 1 Y 1 A LYS 227 ? CD ? A LYS 128 CD 50 1 Y 1 A LYS 227 ? CE ? A LYS 128 CE 51 1 Y 1 A LYS 227 ? NZ ? A LYS 128 NZ 52 1 Y 1 A ARG 239 ? CG ? A ARG 140 CG 53 1 Y 1 A ARG 239 ? CD ? A ARG 140 CD 54 1 Y 1 A ARG 239 ? NE ? A ARG 140 NE 55 1 Y 1 A ARG 239 ? CZ ? A ARG 140 CZ 56 1 Y 1 A ARG 239 ? NH1 ? A ARG 140 NH1 57 1 Y 1 A ARG 239 ? NH2 ? A ARG 140 NH2 58 1 Y 1 B ASN 153 ? CG ? B ASN 54 CG 59 1 Y 1 B ASN 153 ? OD1 ? B ASN 54 OD1 60 1 Y 1 B ASN 153 ? ND2 ? B ASN 54 ND2 61 1 Y 1 B HIS 236 ? CG ? B HIS 137 CG 62 1 Y 1 B HIS 236 ? ND1 ? B HIS 137 ND1 63 1 Y 1 B HIS 236 ? CD2 ? B HIS 137 CD2 64 1 Y 1 B HIS 236 ? CE1 ? B HIS 137 CE1 65 1 Y 1 B HIS 236 ? NE2 ? B HIS 137 NE2 66 1 Y 1 B LYS 237 ? CG ? B LYS 138 CG 67 1 Y 1 B LYS 237 ? CD ? B LYS 138 CD 68 1 Y 1 B LYS 237 ? CE ? B LYS 138 CE 69 1 Y 1 B LYS 237 ? NZ ? B LYS 138 NZ 70 1 Y 1 B ARG 239 ? CD ? B ARG 140 CD 71 1 Y 1 B ARG 239 ? NE ? B ARG 140 NE 72 1 Y 1 B ARG 239 ? CZ ? B ARG 140 CZ 73 1 Y 1 B ARG 239 ? NH1 ? B ARG 140 NH1 74 1 Y 1 B ARG 239 ? NH2 ? B ARG 140 NH2 # 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 GLY 100 ? A GLY 1 2 1 Y 1 A MET 101 ? A MET 2 3 1 Y 1 A LYS 133 ? A LYS 34 4 1 Y 1 A LYS 134 ? A LYS 35 5 1 Y 1 A ASP 135 ? A ASP 36 6 1 Y 1 A ILE 136 ? A ILE 37 7 1 Y 1 A LEU 137 ? A LEU 38 8 1 Y 1 A GLY 138 ? A GLY 39 9 1 Y 1 A ALA 139 ? A ALA 40 10 1 Y 1 B GLY 100 ? B GLY 1 11 1 Y 1 B MET 101 ? B MET 2 12 1 Y 1 B PRO 218 ? B PRO 119 13 1 Y 1 B ARG 219 ? B ARG 120 14 1 Y 1 B LEU 220 ? B LEU 121 15 1 Y 1 B GLU 221 ? B GLU 122 16 1 Y 1 B ARG 222 ? B ARG 123 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'CALCIUM ION' CA 3 water HOH #