data_3KQR # _entry.id 3KQR # _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 3KQR RCSB RCSB056329 WWPDB D_1000056329 # loop_ _pdbx_database_related.db_name _pdbx_database_related.db_id _pdbx_database_related.details _pdbx_database_related.content_type PDB 1GYK 'SERUM AMYLOID P COMPONENT CO-CRYSTALLISED WITH MOBDG AT NEUTRAL PH' unspecified PDB 1LGN 'DECAMERIC DAMP COMPLEX OF HUMAN SERUM AMYLOID P COMPONENT' unspecified PDB 1SAC 'SERUM AMYLOID P COMPONENT (SAP)' unspecified PDB 2A3W ;DECAMERIC STRUCTURE OF HUMAN SERUM AMYLOID P -COMPONENTBOUND TO BIS-1,2-{[(Z)-2- CARBOXY-2-METHYL-1,3-DIOXANE]-5- YLOXYCARBAMOYL}-ETHANE ; unspecified PDB 2A3X ;DECAMERIC CRYSTAL STRUCTURE OF HUMAN SERUM AMYLOID P-COMPONENT BOUND TO BIS-1,2-{[( Z)-2CARBOXY- 2-METHYL-1,3-DIOXANE]- 5- YLOXYCARBONYL}-PIPERAZINE ; unspecified PDB 2A3Y ;PENTAMERIC CRYSTAL STRUCTURE OF HUMAN SERUM AMYLOID P-COMPONENT BOUND TO BIS-1,2-{[( Z)-2CARBOXY-2-METHYL-1,3-DIOXANE]-5- YLOXYCARBAMOYL}-ETHANE ; unspecified # _pdbx_database_status.entry_id 3KQR _pdbx_database_status.status_code REL _pdbx_database_status.deposit_site RCSB _pdbx_database_status.process_site RCSB _pdbx_database_status.recvd_initial_deposition_date 2009-11-17 _pdbx_database_status.status_code_sf REL _pdbx_database_status.status_code_mr ? _pdbx_database_status.SG_entry ? _pdbx_database_status.status_code_cs ? _pdbx_database_status.pdb_format_compatible Y # loop_ _audit_author.name _audit_author.pdbx_ordinal 'Mikolajek, H.' 1 'Kolstoe, S.E.' 2 'Wood, S.P.' 3 'Pepys, M.B.' 4 # _citation.id primary _citation.title 'Structural basis of ligand specificity in the human pentraxins, C-reactive protein and serum amyloid P component.' _citation.journal_abbrev J.Mol.Recognit. _citation.journal_volume 24 _citation.page_first 371 _citation.page_last 377 _citation.year 2011 _citation.journal_id_ASTM ? _citation.country UK _citation.journal_id_ISSN 0952-3499 _citation.journal_id_CSD ? _citation.book_publisher ? _citation.pdbx_database_id_PubMed 21360619 _citation.pdbx_database_id_DOI 10.1002/jmr.1090 # loop_ _citation_author.citation_id _citation_author.name _citation_author.ordinal primary 'Mikolajek, H.' 1 primary 'Kolstoe, S.E.' 2 primary 'Pye, V.E.' 3 primary 'Mangione, P.' 4 primary 'Pepys, M.B.' 5 primary 'Wood, S.P.' 6 # _cell.entry_id 3KQR _cell.length_a 94.860 _cell.length_b 69.860 _cell.length_c 102.270 _cell.angle_alpha 90.00 _cell.angle_beta 96.95 _cell.angle_gamma 90.00 _cell.Z_PDB 10 _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 3KQR _symmetry.space_group_name_H-M 'P 1 21 1' _symmetry.pdbx_full_space_group_name_H-M ? _symmetry.cell_setting ? _symmetry.Int_Tables_number 4 _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 nat 'Serum amyloid P-component' 23282.455 5 ? ? ? ? 2 non-polymer syn 'PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER' 141.063 5 ? ? ? ? 3 non-polymer syn 'CALCIUM ION' 40.078 10 ? ? ? ? 4 non-polymer man N-ACETYL-D-GLUCOSAMINE 221.208 5 ? ? ? ? 5 water nat water 18.015 1469 ? ? ? ? # _entity_name_com.entity_id 1 _entity_name_com.name 'SAP, 9.5S alpha-1-glycoprotein' # _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 ;HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKV TSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMW DSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV ; _entity_poly.pdbx_seq_one_letter_code_can ;HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKV TSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMW DSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV ; _entity_poly.pdbx_strand_id A,B,C,D,E _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 HIS n 1 2 THR n 1 3 ASP n 1 4 LEU n 1 5 SER n 1 6 GLY n 1 7 LYS n 1 8 VAL n 1 9 PHE n 1 10 VAL n 1 11 PHE n 1 12 PRO n 1 13 ARG n 1 14 GLU n 1 15 SER n 1 16 VAL n 1 17 THR n 1 18 ASP n 1 19 HIS n 1 20 VAL n 1 21 ASN n 1 22 LEU n 1 23 ILE n 1 24 THR n 1 25 PRO n 1 26 LEU n 1 27 GLU n 1 28 LYS n 1 29 PRO n 1 30 LEU n 1 31 GLN n 1 32 ASN n 1 33 PHE n 1 34 THR n 1 35 LEU n 1 36 CYS n 1 37 PHE n 1 38 ARG n 1 39 ALA n 1 40 TYR n 1 41 SER n 1 42 ASP n 1 43 LEU n 1 44 SER n 1 45 ARG n 1 46 ALA n 1 47 TYR n 1 48 SER n 1 49 LEU n 1 50 PHE n 1 51 SER n 1 52 TYR n 1 53 ASN n 1 54 THR n 1 55 GLN n 1 56 GLY n 1 57 ARG n 1 58 ASP n 1 59 ASN n 1 60 GLU n 1 61 LEU n 1 62 LEU n 1 63 VAL n 1 64 TYR n 1 65 LYS n 1 66 GLU n 1 67 ARG n 1 68 VAL n 1 69 GLY n 1 70 GLU n 1 71 TYR n 1 72 SER n 1 73 LEU n 1 74 TYR n 1 75 ILE n 1 76 GLY n 1 77 ARG n 1 78 HIS n 1 79 LYS n 1 80 VAL n 1 81 THR n 1 82 SER n 1 83 LYS n 1 84 VAL n 1 85 ILE n 1 86 GLU n 1 87 LYS n 1 88 PHE n 1 89 PRO n 1 90 ALA n 1 91 PRO n 1 92 VAL n 1 93 HIS n 1 94 ILE n 1 95 CYS n 1 96 VAL n 1 97 SER n 1 98 TRP n 1 99 GLU n 1 100 SER n 1 101 SER n 1 102 SER n 1 103 GLY n 1 104 ILE n 1 105 ALA n 1 106 GLU n 1 107 PHE n 1 108 TRP n 1 109 ILE n 1 110 ASN n 1 111 GLY n 1 112 THR n 1 113 PRO n 1 114 LEU n 1 115 VAL n 1 116 LYS n 1 117 LYS n 1 118 GLY n 1 119 LEU n 1 120 ARG n 1 121 GLN n 1 122 GLY n 1 123 TYR n 1 124 PHE n 1 125 VAL n 1 126 GLU n 1 127 ALA n 1 128 GLN n 1 129 PRO n 1 130 LYS n 1 131 ILE n 1 132 VAL n 1 133 LEU n 1 134 GLY n 1 135 GLN n 1 136 GLU n 1 137 GLN n 1 138 ASP n 1 139 SER n 1 140 TYR n 1 141 GLY n 1 142 GLY n 1 143 LYS n 1 144 PHE n 1 145 ASP n 1 146 ARG n 1 147 SER n 1 148 GLN n 1 149 SER n 1 150 PHE n 1 151 VAL n 1 152 GLY n 1 153 GLU n 1 154 ILE n 1 155 GLY n 1 156 ASP n 1 157 LEU n 1 158 TYR n 1 159 MET n 1 160 TRP n 1 161 ASP n 1 162 SER n 1 163 VAL n 1 164 LEU n 1 165 PRO n 1 166 PRO n 1 167 GLU n 1 168 ASN n 1 169 ILE n 1 170 LEU n 1 171 SER n 1 172 ALA n 1 173 TYR n 1 174 GLN n 1 175 GLY n 1 176 THR n 1 177 PRO n 1 178 LEU n 1 179 PRO n 1 180 ALA n 1 181 ASN n 1 182 ILE n 1 183 LEU n 1 184 ASP n 1 185 TRP n 1 186 GLN n 1 187 ALA n 1 188 LEU n 1 189 ASN n 1 190 TYR n 1 191 GLU n 1 192 ILE n 1 193 ARG n 1 194 GLY n 1 195 TYR n 1 196 VAL n 1 197 ILE n 1 198 ILE n 1 199 LYS n 1 200 PRO n 1 201 LEU n 1 202 VAL n 1 203 TRP n 1 204 VAL n # _entity_src_nat.entity_id 1 _entity_src_nat.pdbx_src_id 1 _entity_src_nat.pdbx_alt_source_flag sample _entity_src_nat.pdbx_beg_seq_num ? _entity_src_nat.pdbx_end_seq_num ? _entity_src_nat.common_name human _entity_src_nat.pdbx_organism_scientific 'Homo sapiens' _entity_src_nat.pdbx_ncbi_taxonomy_id 9606 _entity_src_nat.genus ? _entity_src_nat.species ? _entity_src_nat.strain ? _entity_src_nat.tissue ? _entity_src_nat.tissue_fraction ? _entity_src_nat.pdbx_secretion ? _entity_src_nat.pdbx_fragment ? _entity_src_nat.pdbx_variant ? _entity_src_nat.pdbx_cell_line ? _entity_src_nat.pdbx_atcc ? _entity_src_nat.pdbx_cellular_location ? _entity_src_nat.pdbx_organ ? _entity_src_nat.pdbx_organelle ? _entity_src_nat.pdbx_cell ? _entity_src_nat.pdbx_plasmid_name ? _entity_src_nat.pdbx_plasmid_details ? _entity_src_nat.details ? # _struct_ref.id 1 _struct_ref.db_name UNP _struct_ref.db_code SAMP_HUMAN _struct_ref.pdbx_db_accession P02743 _struct_ref.entity_id 1 _struct_ref.pdbx_seq_one_letter_code ;HTDLSGKVFVFPRESVTDHVNLITPLEKPLQNFTLCFRAYSDLSRAYSLFSYNTQGRDNELLVYKERVGEYSLYIGRHKV TSKVIEKFPAPVHICVSWESSSGIAEFWINGTPLVKKGLRQGYFVEAQPKIVLGQEQDSYGGKFDRSQSFVGEIGDLYMW DSVLPPENILSAYQGTPLPANILDWQALNYEIRGYVIIKPLVWV ; _struct_ref.pdbx_align_begin 20 _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 3KQR A 1 ? 204 ? P02743 20 ? 223 ? 1 204 2 1 3KQR B 1 ? 204 ? P02743 20 ? 223 ? 1 204 3 1 3KQR C 1 ? 204 ? P02743 20 ? 223 ? 1 204 4 1 3KQR D 1 ? 204 ? P02743 20 ? 223 ? 1 204 5 1 3KQR E 1 ? 204 ? P02743 20 ? 223 ? 1 204 # 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 NAG D-saccharide . N-ACETYL-D-GLUCOSAMINE ? 'C8 H15 N O6' 221.208 OPE non-polymer . 'PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER' 'COLAMINE PHOSPHORIC ACID' 'C2 H8 N O4 P' 141.063 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 3KQR _exptl.method 'X-RAY DIFFRACTION' _exptl.crystals_number 1 # _exptl_crystal.id 1 _exptl_crystal.density_meas ? _exptl_crystal.density_Matthews 2.89 _exptl_crystal.density_percent_sol 57.43 _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 _exptl_crystal_grow.temp_details ? _exptl_crystal_grow.pH 8 _exptl_crystal_grow.pdbx_pH_range ? _exptl_crystal_grow.pdbx_details ;0.06M TRIS-HCL pH8, 16% PEG 550MME, 0.01M CaCl2, 0.14M NaCl, 0.1% NaN3,14.2mg/ml Protein, 0.05M Ligand, VAPOR DIFFUSION, HANGING DROP, temperature 298K ; # _diffrn.id 1 _diffrn.ambient_temp 100 _diffrn.ambient_temp_details ? _diffrn.crystal_id 1 # _diffrn_detector.diffrn_id 1 _diffrn_detector.detector CCD _diffrn_detector.type 'ADSC QUANTUM 4' _diffrn_detector.pdbx_collection_date 2005-02-15 _diffrn_detector.details ? # _diffrn_radiation.diffrn_id 1 _diffrn_radiation.wavelength_id 1 _diffrn_radiation.pdbx_monochromatic_or_laue_m_l M _diffrn_radiation.monochromator ? _diffrn_radiation.pdbx_diffrn_protocol 'SINGLE WAVELENGTH' _diffrn_radiation.pdbx_scattering_type x-ray # _diffrn_radiation_wavelength.id 1 _diffrn_radiation_wavelength.wavelength 0.93 _diffrn_radiation_wavelength.wt 1.0 # _diffrn_source.diffrn_id 1 _diffrn_source.source SYNCHROTRON _diffrn_source.type 'ESRF BEAMLINE ID14-1' _diffrn_source.pdbx_synchrotron_site ESRF _diffrn_source.pdbx_synchrotron_beamline ID14-1 _diffrn_source.pdbx_wavelength ? _diffrn_source.pdbx_wavelength_list 0.93 # _reflns.entry_id 3KQR _reflns.observed_criterion_sigma_I 6.0 _reflns.observed_criterion_sigma_F ? _reflns.d_resolution_low 36.812 _reflns.d_resolution_high 1.500 _reflns.number_obs 208934 _reflns.number_all ? _reflns.percent_possible_obs 98.700 _reflns.pdbx_Rmerge_I_obs 0.053 _reflns.pdbx_Rsym_value 0.053 _reflns.pdbx_netI_over_sigmaI 16.800 _reflns.B_iso_Wilson_estimate ? _reflns.pdbx_redundancy 3.800 _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 1.50 _reflns_shell.d_res_low 1.58 _reflns_shell.percent_possible_all 97.70 _reflns_shell.Rmerge_I_obs 0.180 _reflns_shell.pdbx_Rsym_value 0.180 _reflns_shell.meanI_over_sigI_obs 4.0 _reflns_shell.pdbx_redundancy 3.80 _reflns_shell.percent_possible_obs ? _reflns_shell.number_unique_all ? _reflns_shell.number_measured_all ? _reflns_shell.number_measured_obs ? _reflns_shell.number_unique_obs ? _reflns_shell.pdbx_chi_squared ? _reflns_shell.pdbx_diffrn_id ? _reflns_shell.pdbx_ordinal 1 # _refine.pdbx_refine_id 'X-RAY DIFFRACTION' _refine.entry_id 3KQR _refine.ls_number_reflns_obs 208905 _refine.ls_number_reflns_all ? _refine.pdbx_ls_sigma_I ? _refine.pdbx_ls_sigma_F 1.32 _refine.pdbx_data_cutoff_high_absF ? _refine.pdbx_data_cutoff_low_absF ? _refine.pdbx_data_cutoff_high_rms_absF ? _refine.ls_d_res_low 36.811 _refine.ls_d_res_high 1.500 _refine.ls_percent_reflns_obs 98.47 _refine.ls_R_factor_obs 0.1420 _refine.ls_R_factor_all ? _refine.ls_R_factor_R_work 0.1409 _refine.ls_R_factor_R_free 0.1610 _refine.ls_R_factor_R_free_error ? _refine.ls_R_factor_R_free_error_details ? _refine.ls_percent_reflns_R_free 5.00 _refine.ls_number_reflns_R_free 10455 _refine.ls_number_parameters ? _refine.ls_number_restraints ? _refine.occupancy_min 0.04 _refine.occupancy_max 1.00 _refine.correlation_coeff_Fo_to_Fc ? _refine.correlation_coeff_Fo_to_Fc_free ? _refine.B_iso_mean 15.823 _refine.aniso_B[1][1] -1.789 _refine.aniso_B[2][2] 0.854 _refine.aniso_B[3][3] 0.934 _refine.aniso_B[1][2] 0.000 _refine.aniso_B[1][3] 1.408 _refine.aniso_B[2][3] 0.000 _refine.solvent_model_details 'FLAT BULK SOLVENT MODEL' _refine.solvent_model_param_ksol 0.408 _refine.solvent_model_param_bsol 45.239 _refine.pdbx_solvent_vdw_probe_radii 1.00 _refine.pdbx_solvent_ion_probe_radii ? _refine.pdbx_solvent_shrinkage_radii 0.80 _refine.pdbx_ls_cross_valid_method ? _refine.details ? _refine.pdbx_starting_model ? _refine.pdbx_method_to_determine_struct 'MOLECULAR REPLACEMENT' _refine.pdbx_isotropic_thermal_model ? _refine.pdbx_stereochemistry_target_values ML _refine.pdbx_stereochem_target_val_spec_case ? _refine.pdbx_R_Free_selection_details ? _refine.pdbx_overall_ESU_R ? _refine.pdbx_overall_ESU_R_Free ? _refine.overall_SU_ML 0.14 _refine.pdbx_overall_phase_error 14.07 _refine.overall_SU_B ? _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_diffrn_id 1 _refine.pdbx_TLS_residual_ADP_flag ? _refine.pdbx_overall_SU_R_free_Cruickshank_DPI ? _refine.pdbx_overall_SU_R_Blow_DPI ? _refine.pdbx_overall_SU_R_free_Blow_DPI ? # _refine_hist.pdbx_refine_id 'X-RAY DIFFRACTION' _refine_hist.cycle_id LAST _refine_hist.pdbx_number_atoms_protein 8245 _refine_hist.pdbx_number_atoms_nucleic_acid 0 _refine_hist.pdbx_number_atoms_ligand 120 _refine_hist.number_atoms_solvent 1469 _refine_hist.number_atoms_total 9834 _refine_hist.d_res_high 1.500 _refine_hist.d_res_low 36.811 # 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 f_bond_d 0.014 ? ? 8897 'X-RAY DIFFRACTION' ? f_angle_d 1.579 ? ? 12162 'X-RAY DIFFRACTION' ? f_dihedral_angle_d 17.171 ? ? 3273 'X-RAY DIFFRACTION' ? f_chiral_restr 0.106 ? ? 1334 'X-RAY DIFFRACTION' ? f_plane_restr 0.008 ? ? 1541 'X-RAY DIFFRACTION' ? # loop_ _refine_ls_shell.pdbx_refine_id _refine_ls_shell.pdbx_total_number_of_bins_used _refine_ls_shell.d_res_high _refine_ls_shell.d_res_low _refine_ls_shell.number_reflns_R_work _refine_ls_shell.R_factor_R_work _refine_ls_shell.percent_reflns_obs _refine_ls_shell.R_factor_R_free _refine_ls_shell.R_factor_R_free_error _refine_ls_shell.percent_reflns_R_free _refine_ls_shell.number_reflns_R_free _refine_ls_shell.number_reflns_all _refine_ls_shell.R_factor_all _refine_ls_shell.redundancy_reflns_obs _refine_ls_shell.number_reflns_obs 'X-RAY DIFFRACTION' . 1.4999 1.5170 6622 0.1549 97.00 0.1761 . . 253 . . . . 'X-RAY DIFFRACTION' . 1.5170 1.5348 6591 0.1513 98.00 0.1957 . . 267 . . . . 'X-RAY DIFFRACTION' . 1.5348 1.5536 6609 0.1498 98.00 0.1634 . . 288 . . . . 'X-RAY DIFFRACTION' . 1.5536 1.5732 6554 0.1435 98.00 0.1688 . . 300 . . . . 'X-RAY DIFFRACTION' . 1.5732 1.5939 6542 0.1399 98.00 0.1691 . . 320 . . . . 'X-RAY DIFFRACTION' . 1.5939 1.6158 6569 0.1395 98.00 0.1624 . . 325 . . . . 'X-RAY DIFFRACTION' . 1.6158 1.6388 6546 0.1399 98.00 0.1791 . . 332 . . . . 'X-RAY DIFFRACTION' . 1.6388 1.6633 6575 0.1338 98.00 0.1761 . . 344 . . . . 'X-RAY DIFFRACTION' . 1.6633 1.6893 6510 0.1349 98.00 0.1559 . . 362 . . . . 'X-RAY DIFFRACTION' . 1.6893 1.7170 6519 0.1348 98.00 0.1613 . . 414 . . . . 'X-RAY DIFFRACTION' . 1.7170 1.7466 6503 0.1332 98.00 0.1589 . . 461 . . . . 'X-RAY DIFFRACTION' . 1.7466 1.7784 6402 0.1325 98.00 0.1636 . . 475 . . . . 'X-RAY DIFFRACTION' . 1.7784 1.8126 6550 0.1298 98.00 0.1731 . . 389 . . . . 'X-RAY DIFFRACTION' . 1.8126 1.8496 6635 0.1254 98.00 0.1501 . . 317 . . . . 'X-RAY DIFFRACTION' . 1.8496 1.8898 6614 0.1276 99.00 0.1440 . . 341 . . . . 'X-RAY DIFFRACTION' . 1.8898 1.9337 6652 0.1281 99.00 0.1556 . . 343 . . . . 'X-RAY DIFFRACTION' . 1.9337 1.9821 6597 0.1259 99.00 0.1498 . . 333 . . . . 'X-RAY DIFFRACTION' . 1.9821 2.0357 6691 0.1252 99.00 0.1507 . . 327 . . . . 'X-RAY DIFFRACTION' . 2.0357 2.0956 6647 0.1302 99.00 0.1504 . . 324 . . . . 'X-RAY DIFFRACTION' . 2.0956 2.1632 6647 0.1298 99.00 0.1629 . . 321 . . . . 'X-RAY DIFFRACTION' . 2.1632 2.2405 6671 0.1317 99.00 0.1543 . . 338 . . . . 'X-RAY DIFFRACTION' . 2.2405 2.3302 6744 0.1282 99.00 0.1465 . . 311 . . . . 'X-RAY DIFFRACTION' . 2.3302 2.4362 6706 0.1319 99.00 0.1500 . . 319 . . . . 'X-RAY DIFFRACTION' . 2.4362 2.5646 6692 0.1362 99.00 0.1512 . . 362 . . . . 'X-RAY DIFFRACTION' . 2.5646 2.7253 6626 0.1406 99.00 0.1649 . . 408 . . . . 'X-RAY DIFFRACTION' . 2.7253 2.9356 6624 0.1456 100.00 0.1632 . . 440 . . . . 'X-RAY DIFFRACTION' . 2.9356 3.2309 6686 0.1522 100.00 0.1711 . . 385 . . . . 'X-RAY DIFFRACTION' . 3.2309 3.6980 6650 0.1408 99.00 0.1538 . . 468 . . . . 'X-RAY DIFFRACTION' . 3.6980 4.6576 6721 0.1364 99.00 0.1581 . . 345 . . . . 'X-RAY DIFFRACTION' . 4.6576 36.8219 6755 0.1675 96.00 0.1610 . . 243 . . . . # _struct.entry_id 3KQR _struct.title 'The structure of serum amyloid p component bound to phosphoethanolamine' _struct.pdbx_descriptor 'Serum amyloid P-component' _struct.pdbx_model_details ? _struct.pdbx_CASP_flag ? _struct.pdbx_model_type_details ? # _struct_keywords.entry_id 3KQR _struct_keywords.text 'Glycoprotein, Amyloid, Disulfide bond, Lectin, Metal-binding, Secreted' _struct_keywords.pdbx_keywords GLYCOPROTEIN # 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 1 ? D N N 1 ? E N N 1 ? F N N 2 ? G N N 3 ? H N N 4 ? I N N 3 ? J N N 2 ? K N N 3 ? L N N 4 ? M N N 3 ? N N N 2 ? O N N 3 ? P N N 3 ? Q N N 4 ? R N N 2 ? S N N 3 ? T N N 4 ? U N N 3 ? V N N 2 ? W N N 3 ? X N N 4 ? Y N N 3 ? Z N N 5 ? AA N N 5 ? BA N N 5 ? CA N N 5 ? DA N N 5 ? # _struct_biol.id 1 _struct_biol.details ? # loop_ _struct_conf.conf_type_id _struct_conf.id _struct_conf.pdbx_PDB_helix_id _struct_conf.beg_label_comp_id _struct_conf.beg_label_asym_id _struct_conf.beg_label_seq_id _struct_conf.pdbx_beg_PDB_ins_code _struct_conf.end_label_comp_id _struct_conf.end_label_asym_id _struct_conf.end_label_seq_id _struct_conf.pdbx_end_PDB_ins_code _struct_conf.beg_auth_comp_id _struct_conf.beg_auth_asym_id _struct_conf.beg_auth_seq_id _struct_conf.end_auth_comp_id _struct_conf.end_auth_asym_id _struct_conf.end_auth_seq_id _struct_conf.pdbx_PDB_helix_class _struct_conf.details _struct_conf.pdbx_PDB_helix_length HELX_P HELX_P1 1 ASP A 145 ? SER A 149 ? ASP A 145 SER A 149 5 ? 5 HELX_P HELX_P2 2 PRO A 165 ? GLY A 175 ? PRO A 165 GLY A 175 1 ? 11 HELX_P HELX_P3 3 ASP B 145 ? SER B 149 ? ASP B 145 SER B 149 5 ? 5 HELX_P HELX_P4 4 PRO B 165 ? GLY B 175 ? PRO B 165 GLY B 175 1 ? 11 HELX_P HELX_P5 5 ASP C 145 ? SER C 149 ? ASP C 145 SER C 149 5 ? 5 HELX_P HELX_P6 6 PRO C 165 ? GLN C 174 ? PRO C 165 GLN C 174 1 ? 10 HELX_P HELX_P7 7 ASP D 145 ? SER D 149 ? ASP D 145 SER D 149 5 ? 5 HELX_P HELX_P8 8 PRO D 165 ? GLY D 175 ? PRO D 165 GLY D 175 1 ? 11 HELX_P HELX_P9 9 ASP E 145 ? SER E 149 ? ASP E 145 SER E 149 5 ? 5 HELX_P HELX_P10 10 PRO E 165 ? GLY E 175 ? PRO E 165 GLY E 175 1 ? 11 # _struct_conf_type.id HELX_P _struct_conf_type.criteria ? _struct_conf_type.reference ? # loop_ _struct_conn.id _struct_conn.conn_type_id _struct_conn.pdbx_leaving_atom_flag _struct_conn.pdbx_PDB_id _struct_conn.ptnr1_label_asym_id _struct_conn.ptnr1_label_comp_id _struct_conn.ptnr1_label_seq_id _struct_conn.ptnr1_label_atom_id _struct_conn.pdbx_ptnr1_label_alt_id _struct_conn.pdbx_ptnr1_PDB_ins_code _struct_conn.pdbx_ptnr1_standard_comp_id _struct_conn.ptnr1_symmetry _struct_conn.ptnr2_label_asym_id _struct_conn.ptnr2_label_comp_id _struct_conn.ptnr2_label_seq_id _struct_conn.ptnr2_label_atom_id _struct_conn.pdbx_ptnr2_label_alt_id _struct_conn.pdbx_ptnr2_PDB_ins_code _struct_conn.ptnr1_auth_asym_id _struct_conn.ptnr1_auth_comp_id _struct_conn.ptnr1_auth_seq_id _struct_conn.ptnr2_auth_asym_id _struct_conn.ptnr2_auth_comp_id _struct_conn.ptnr2_auth_seq_id _struct_conn.ptnr2_symmetry _struct_conn.pdbx_ptnr3_label_atom_id _struct_conn.pdbx_ptnr3_label_seq_id _struct_conn.pdbx_ptnr3_label_comp_id _struct_conn.pdbx_ptnr3_label_asym_id _struct_conn.pdbx_ptnr3_label_alt_id _struct_conn.pdbx_ptnr3_PDB_ins_code _struct_conn.details _struct_conn.pdbx_dist_value _struct_conn.pdbx_value_order disulf1 disulf ? ? A CYS 36 SG ? ? ? 1_555 A CYS 95 SG ? ? A CYS 36 A CYS 95 1_555 ? ? ? ? ? ? ? 2.057 ? disulf2 disulf ? ? B CYS 36 SG ? ? ? 1_555 B CYS 95 SG ? ? B CYS 36 B CYS 95 1_555 ? ? ? ? ? ? ? 2.030 ? disulf3 disulf ? ? C CYS 36 SG ? ? ? 1_555 C CYS 95 SG ? ? C CYS 36 C CYS 95 1_555 ? ? ? ? ? ? ? 2.051 ? disulf4 disulf ? ? D CYS 36 SG ? ? ? 1_555 D CYS 95 SG ? ? D CYS 36 D CYS 95 1_555 ? ? ? ? ? ? ? 2.037 ? disulf5 disulf ? ? E CYS 36 SG ? ? ? 1_555 E CYS 95 SG ? ? E CYS 36 E CYS 95 1_555 ? ? ? ? ? ? ? 2.021 ? covale1 covale ? ? C ASN 32 ND2 ? ? ? 1_555 Q NAG . C1 ? ? C ASN 32 C NAG 207 1_555 ? ? ? ? ? ? ? 1.447 ? covale2 covale ? ? D ASN 32 ND2 ? ? ? 1_555 T NAG . C1 ? ? D ASN 32 D NAG 207 1_555 ? ? ? ? ? ? ? 1.450 ? covale3 covale ? ? A ASN 32 ND2 ? ? ? 1_555 H NAG . C1 ? ? A ASN 32 A NAG 207 1_555 ? ? ? ? ? ? ? 1.453 ? covale4 covale ? ? E ASN 32 ND2 ? ? ? 1_555 X NAG . C1 ? ? E ASN 32 E NAG 207 1_555 ? ? ? ? ? ? ? 1.470 ? covale5 covale ? ? B ASN 32 ND2 ? ? ? 1_555 L NAG . C1 ? ? B ASN 32 B NAG 207 1_555 ? ? ? ? ? ? ? 1.473 ? metalc1 metalc ? ? S CA . CA ? ? ? 1_555 R OPE . O1 ? ? D CA 205 D OPE 3700 1_555 ? ? ? ? ? ? ? 2.279 ? metalc2 metalc ? ? M CA . CA ? ? ? 1_555 J OPE . O2 ? ? B CA 206 B OPE 1700 1_555 ? ? ? ? ? ? ? 2.286 ? metalc3 metalc ? ? W CA . CA ? ? ? 1_555 V OPE . O2 ? ? E CA 205 E OPE 4700 1_555 ? ? ? ? ? ? ? 2.293 ? metalc4 metalc ? ? G CA . CA ? ? ? 1_555 F OPE . O1 ? ? A CA 205 A OPE 700 1_555 ? ? ? ? ? ? ? 2.313 ? metalc5 metalc ? ? K CA . CA ? ? ? 1_555 J OPE . O1 ? ? B CA 205 B OPE 1700 1_555 ? ? ? ? ? ? ? 2.316 ? metalc6 metalc ? ? C ASP 138 OD1 ? ? ? 1_555 P CA . CA ? ? C ASP 138 C CA 206 1_555 ? ? ? ? ? ? ? 2.327 ? metalc7 metalc ? ? D ASP 138 OD1 ? ? ? 1_555 U CA . CA ? ? D ASP 138 D CA 206 1_555 ? ? ? ? ? ? ? 2.330 ? metalc8 metalc ? ? P CA . CA ? ? ? 1_555 N OPE . O1 ? ? C CA 206 C OPE 2700 1_555 ? ? ? ? ? ? ? 2.331 ? metalc9 metalc ? ? B ASP 138 OD1 ? ? ? 1_555 K CA . CA ? ? B ASP 138 B CA 205 1_555 ? ? ? ? ? ? ? 2.336 ? metalc10 metalc ? ? I CA . CA ? ? ? 1_555 F OPE . O3 ? ? A CA 206 A OPE 700 1_555 ? ? ? ? ? ? ? 2.338 ? metalc11 metalc ? ? O CA . CA ? ? ? 1_555 N OPE . O2 ? ? C CA 205 C OPE 2700 1_555 ? ? ? ? ? ? ? 2.340 ? metalc12 metalc ? ? E GLU 136 OE1 ? ? ? 1_555 W CA . CA ? ? E GLU 136 E CA 205 1_555 ? ? ? ? ? ? ? 2.346 ? metalc13 metalc ? ? C GLU 136 OE2 ? ? ? 1_555 O CA . CA ? ? C GLU 136 C CA 205 1_555 ? ? ? ? ? ? ? 2.349 ? metalc14 metalc ? ? Y CA . CA ? ? ? 1_555 V OPE . O1 ? ? E CA 206 E OPE 4700 1_555 ? ? ? ? ? ? ? 2.349 ? metalc15 metalc ? ? A GLU 136 OE1 ? ? ? 1_555 G CA . CA ? ? A GLU 136 A CA 205 1_555 ? ? ? ? ? ? ? 2.349 ? metalc16 metalc ? ? C GLN 148 OE1 ? ? ? 1_555 O CA . CA ? ? C GLN 148 C CA 205 1_555 ? ? ? ? ? ? ? 2.354 ? metalc17 metalc ? ? A GLN 148 OE1 ? ? ? 1_555 G CA . CA ? ? A GLN 148 A CA 205 1_555 ? ? ? ? ? ? ? 2.358 ? metalc18 metalc ? ? O CA . CA ? ? ? 1_555 BA HOH . O ? ? C CA 205 C HOH 228 1_555 ? ? ? ? ? ? ? 2.359 ? metalc19 metalc ? ? U CA . CA ? ? ? 1_555 R OPE . O3 ? ? D CA 206 D OPE 3700 1_555 ? ? ? ? ? ? ? 2.360 ? metalc20 metalc ? ? B GLU 136 OE1 ? ? ? 1_555 M CA . CA ? ? B GLU 136 B CA 206 1_555 ? ? ? ? ? ? ? 2.363 ? metalc21 metalc ? ? A ASP 138 OD1 ? ? ? 1_555 I CA . CA ? ? A ASP 138 A CA 206 1_555 ? ? ? ? ? ? ? 2.365 ? metalc22 metalc ? ? E ASP 138 OD1 ? ? ? 1_555 Y CA . CA ? ? E ASP 138 E CA 206 1_555 ? ? ? ? ? ? ? 2.367 ? metalc23 metalc ? ? D GLU 136 OE1 ? ? ? 1_555 S CA . CA ? ? D GLU 136 D CA 205 1_555 ? ? ? ? ? ? ? 2.371 ? metalc24 metalc ? ? D GLN 148 OE1 ? ? ? 1_555 S CA . CA ? ? D GLN 148 D CA 205 1_555 ? ? ? ? ? ? ? 2.385 ? metalc25 metalc ? ? E ASN 59 OD1 ? ? ? 1_555 Y CA . CA ? ? E ASN 59 E CA 206 1_555 ? ? ? ? ? ? ? 2.386 ? metalc26 metalc ? ? E GLN 148 OE1 ? ? ? 1_555 W CA . CA ? ? E GLN 148 E CA 205 1_555 ? ? ? ? ? ? ? 2.387 ? metalc27 metalc ? ? B GLN 148 OE1 ? ? ? 1_555 M CA . CA ? ? B GLN 148 B CA 206 1_555 ? ? ? ? ? ? ? 2.387 ? metalc28 metalc ? ? C GLN 137 O ? ? ? 1_555 P CA . CA ? ? C GLN 137 C CA 206 1_555 ? ? ? ? ? ? ? 2.387 ? metalc29 metalc ? ? S CA . CA ? ? ? 1_555 CA HOH . O ? ? D CA 205 D HOH 235 1_555 ? ? ? ? ? ? ? 2.388 ? metalc30 metalc ? ? A GLU 136 OE2 ? ? ? 1_555 I CA . CA ? ? A GLU 136 A CA 206 1_555 ? ? ? ? ? ? ? 2.391 ? metalc31 metalc ? ? G CA . CA ? ? ? 1_555 Z HOH . O ? ? A CA 205 A HOH 227 1_555 ? ? ? ? ? ? ? 2.396 ? metalc32 metalc ? ? A GLN 137 O ? ? ? 1_555 I CA . CA ? ? A GLN 137 A CA 206 1_555 ? ? ? ? ? ? ? 2.396 ? metalc33 metalc ? ? O CA . CA ? ? ? 1_555 BA HOH . O ? ? C CA 205 C HOH 250 1_555 ? ? ? ? ? ? ? 2.400 ? metalc34 metalc ? ? D ASN 59 OD1 ? ? ? 1_555 U CA . CA ? ? D ASN 59 D CA 206 1_555 ? ? ? ? ? ? ? 2.411 ? metalc35 metalc ? ? B GLU 136 OE2 ? ? ? 1_555 K CA . CA ? ? B GLU 136 B CA 205 1_555 ? ? ? ? ? ? ? 2.412 ? metalc36 metalc ? ? A ASN 59 OD1 ? ? ? 1_555 I CA . CA ? ? A ASN 59 A CA 206 1_555 ? ? ? ? ? ? ? 2.415 ? metalc37 metalc ? ? C GLU 136 OE1 ? ? ? 1_555 P CA . CA ? ? C GLU 136 C CA 206 1_555 ? ? ? ? ? ? ? 2.415 ? metalc38 metalc ? ? B ASN 59 OD1 ? ? ? 1_555 K CA . CA ? ? B ASN 59 B CA 205 1_555 ? ? ? ? ? ? ? 2.415 ? metalc39 metalc ? ? E GLU 136 OE2 ? ? ? 1_555 Y CA . CA ? ? E GLU 136 E CA 206 1_555 ? ? ? ? ? ? ? 2.425 ? metalc40 metalc ? ? M CA . CA ? ? ? 1_555 AA HOH . O ? ? B CA 206 B HOH 232 1_555 ? ? ? ? ? ? ? 2.425 ? metalc41 metalc ? ? M CA . CA ? ? ? 1_555 AA HOH . O ? ? B CA 206 B HOH 234 1_555 ? ? ? ? ? ? ? 2.426 ? metalc42 metalc ? ? E GLN 137 O ? ? ? 1_555 Y CA . CA ? ? E GLN 137 E CA 206 1_555 ? ? ? ? ? ? ? 2.427 ? metalc43 metalc ? ? B GLN 137 O ? ? ? 1_555 K CA . CA ? ? B GLN 137 B CA 205 1_555 ? ? ? ? ? ? ? 2.429 ? metalc44 metalc ? ? D GLU 136 OE2 ? ? ? 1_555 U CA . CA ? ? D GLU 136 D CA 206 1_555 ? ? ? ? ? ? ? 2.429 ? metalc45 metalc ? ? S CA . CA ? ? ? 1_555 CA HOH . O ? ? D CA 205 D HOH 230 1_555 ? ? ? ? ? ? ? 2.431 ? metalc46 metalc ? ? W CA . CA ? ? ? 1_555 DA HOH . O ? ? E CA 205 E HOH 226 1_555 ? ? ? ? ? ? ? 2.437 ? metalc47 metalc ? ? W CA . CA ? ? ? 1_555 DA HOH . O ? ? E CA 205 E HOH 225 1_555 ? ? ? ? ? ? ? 2.438 ? metalc48 metalc ? ? C ASN 59 OD1 ? ? ? 1_555 P CA . CA ? ? C ASN 59 C CA 206 1_555 ? ? ? ? ? ? ? 2.441 ? metalc49 metalc ? ? D GLN 137 O ? ? ? 1_555 U CA . CA ? ? D GLN 137 D CA 206 1_555 ? ? ? ? ? ? ? 2.448 ? metalc50 metalc ? ? G CA . CA ? ? ? 1_555 Z HOH . O ? ? A CA 205 A HOH 226 1_555 ? ? ? ? ? ? ? 2.461 ? metalc51 metalc ? ? D ASP 58 OD1 ? ? ? 1_555 U CA . CA ? ? D ASP 58 D CA 206 1_555 ? ? ? ? ? ? ? 2.464 ? metalc52 metalc ? ? C ASP 58 OD1 ? ? ? 1_555 P CA . CA ? ? C ASP 58 C CA 206 1_555 ? ? ? ? ? ? ? 2.467 ? metalc53 metalc ? ? C ASP 138 OD2 ? ? ? 1_555 O CA . CA ? ? C ASP 138 C CA 205 1_555 ? ? ? ? ? ? ? 2.491 ? metalc54 metalc ? ? E ASP 58 OD1 ? ? ? 1_555 Y CA . CA ? ? E ASP 58 E CA 206 1_555 ? ? ? ? ? ? ? 2.498 ? metalc55 metalc ? ? E ASP 138 OD1 ? ? ? 1_555 W CA . CA ? ? E ASP 138 E CA 205 1_555 ? ? ? ? ? ? ? 2.505 ? metalc56 metalc ? ? B ASP 138 OD2 ? ? ? 1_555 M CA . CA ? ? B ASP 138 B CA 206 1_555 ? ? ? ? ? ? ? 2.510 ? metalc57 metalc ? ? A ASP 138 OD2 ? ? ? 1_555 G CA . CA ? ? A ASP 138 A CA 205 1_555 ? ? ? ? ? ? ? 2.510 ? metalc58 metalc ? ? E ASP 138 OD2 ? ? ? 1_555 W CA . CA ? ? E ASP 138 E CA 205 1_555 ? ? ? ? ? ? ? 2.516 ? metalc59 metalc ? ? B ASP 58 OD1 ? ? ? 1_555 K CA . CA ? ? B ASP 58 B CA 205 1_555 ? ? ? ? ? ? ? 2.528 ? metalc60 metalc ? ? A ASP 58 OD1 ? ? ? 1_555 I CA . CA ? ? A ASP 58 A CA 206 1_555 ? ? ? ? ? ? ? 2.536 ? metalc61 metalc ? ? B ASP 138 OD1 ? ? ? 1_555 M CA . CA ? ? B ASP 138 B CA 206 1_555 ? ? ? ? ? ? ? 2.537 ? metalc62 metalc ? ? D ASP 138 OD2 ? ? ? 1_555 S CA . CA ? ? D ASP 138 D CA 205 1_555 ? ? ? ? ? ? ? 2.545 ? metalc63 metalc ? ? C ASP 138 OD1 ? ? ? 1_555 O CA . CA ? ? C ASP 138 C CA 205 1_555 ? ? ? ? ? ? ? 2.575 ? metalc64 metalc ? ? A ASP 138 OD1 ? ? ? 1_555 G CA . CA ? ? A ASP 138 A CA 205 1_555 ? ? ? ? ? ? ? 2.585 ? metalc65 metalc ? ? D ASP 138 OD1 ? ? ? 1_555 S CA . CA ? ? D ASP 138 D CA 205 1_555 ? ? ? ? ? ? ? 2.617 ? metalc66 metalc ? ? B GLU 136 OE1 ? ? ? 1_555 K CA . CA ? ? B GLU 136 B CA 205 1_555 ? ? ? ? ? ? ? 2.627 ? metalc67 metalc ? ? E GLU 136 OE1 ? ? ? 1_555 Y CA . CA ? ? E GLU 136 E CA 206 1_555 ? ? ? ? ? ? ? 2.639 ? metalc68 metalc ? ? E ASP 58 OD2 ? ? ? 1_555 Y CA . CA ? ? E ASP 58 E CA 206 1_555 ? ? ? ? ? ? ? 2.640 ? metalc69 metalc ? ? B ASP 58 OD2 ? ? ? 1_555 K CA . CA ? ? B ASP 58 B CA 205 1_555 ? ? ? ? ? ? ? 2.641 ? metalc70 metalc ? ? D GLU 136 OE1 ? ? ? 1_555 U CA . CA ? ? D GLU 136 D CA 206 1_555 ? ? ? ? ? ? ? 2.648 ? metalc71 metalc ? ? C GLU 136 OE2 ? ? ? 1_555 P CA . CA ? ? C GLU 136 C CA 206 1_555 ? ? ? ? ? ? ? 2.649 ? metalc72 metalc ? ? A ASP 58 OD2 ? ? ? 1_555 I CA . CA ? ? A ASP 58 A CA 206 1_555 ? ? ? ? ? ? ? 2.672 ? metalc73 metalc ? ? D ASP 58 OD2 ? ? ? 1_555 U CA . CA ? ? D ASP 58 D CA 206 1_555 ? ? ? ? ? ? ? 2.682 ? metalc74 metalc ? ? A GLU 136 OE1 ? ? ? 1_555 I CA . CA ? ? A GLU 136 A CA 206 1_555 ? ? ? ? ? ? ? 2.687 ? metalc75 metalc ? ? C ASP 58 OD2 ? ? ? 1_555 P CA . CA ? ? C ASP 58 C CA 206 1_555 ? ? ? ? ? ? ? 2.859 ? # loop_ _struct_conn_type.id _struct_conn_type.criteria _struct_conn_type.reference disulf ? ? covale ? ? metalc ? ? # loop_ _struct_mon_prot_cis.pdbx_id _struct_mon_prot_cis.label_comp_id _struct_mon_prot_cis.label_seq_id _struct_mon_prot_cis.label_asym_id _struct_mon_prot_cis.label_alt_id _struct_mon_prot_cis.pdbx_PDB_ins_code _struct_mon_prot_cis.auth_comp_id _struct_mon_prot_cis.auth_seq_id _struct_mon_prot_cis.auth_asym_id _struct_mon_prot_cis.pdbx_label_comp_id_2 _struct_mon_prot_cis.pdbx_label_seq_id_2 _struct_mon_prot_cis.pdbx_label_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_ins_code_2 _struct_mon_prot_cis.pdbx_auth_comp_id_2 _struct_mon_prot_cis.pdbx_auth_seq_id_2 _struct_mon_prot_cis.pdbx_auth_asym_id_2 _struct_mon_prot_cis.pdbx_PDB_model_num _struct_mon_prot_cis.pdbx_omega_angle 1 PHE 88 A . ? PHE 88 A PRO 89 A ? PRO 89 A 1 -7.48 2 PHE 88 B . ? PHE 88 B PRO 89 B ? PRO 89 B 1 -10.97 3 PHE 88 C . ? PHE 88 C PRO 89 C ? PRO 89 C 1 -8.68 4 PHE 88 D . ? PHE 88 D PRO 89 D ? PRO 89 D 1 -8.81 5 PHE 88 E . ? PHE 88 E PRO 89 E ? PRO 89 E 1 -7.70 # loop_ _struct_sheet.id _struct_sheet.type _struct_sheet.number_strands _struct_sheet.details A ? 6 ? B ? 7 ? C ? 7 ? D ? 6 ? E ? 7 ? F ? 7 ? G ? 6 ? H ? 7 ? I ? 7 ? J ? 6 ? K ? 7 ? L ? 7 ? M ? 6 ? N ? 7 ? O ? 7 ? # loop_ _struct_sheet_order.sheet_id _struct_sheet_order.range_id_1 _struct_sheet_order.range_id_2 _struct_sheet_order.offset _struct_sheet_order.sense A 1 2 ? anti-parallel A 2 3 ? anti-parallel A 3 4 ? anti-parallel A 4 5 ? anti-parallel A 5 6 ? anti-parallel B 1 2 ? anti-parallel B 2 3 ? anti-parallel B 3 4 ? anti-parallel B 4 5 ? anti-parallel B 5 6 ? anti-parallel B 6 7 ? anti-parallel C 1 2 ? anti-parallel C 2 3 ? anti-parallel C 3 4 ? anti-parallel C 4 5 ? anti-parallel C 5 6 ? anti-parallel C 6 7 ? anti-parallel D 1 2 ? anti-parallel D 2 3 ? anti-parallel D 3 4 ? anti-parallel D 4 5 ? anti-parallel D 5 6 ? anti-parallel E 1 2 ? anti-parallel E 2 3 ? anti-parallel E 3 4 ? anti-parallel E 4 5 ? anti-parallel E 5 6 ? anti-parallel E 6 7 ? anti-parallel F 1 2 ? anti-parallel F 2 3 ? anti-parallel F 3 4 ? anti-parallel F 4 5 ? anti-parallel F 5 6 ? anti-parallel F 6 7 ? anti-parallel G 1 2 ? anti-parallel G 2 3 ? anti-parallel G 3 4 ? anti-parallel G 4 5 ? anti-parallel G 5 6 ? anti-parallel H 1 2 ? anti-parallel H 2 3 ? anti-parallel H 3 4 ? anti-parallel H 4 5 ? anti-parallel H 5 6 ? anti-parallel H 6 7 ? anti-parallel I 1 2 ? anti-parallel I 2 3 ? anti-parallel I 3 4 ? anti-parallel I 4 5 ? anti-parallel I 5 6 ? anti-parallel I 6 7 ? anti-parallel J 1 2 ? anti-parallel J 2 3 ? anti-parallel J 3 4 ? anti-parallel J 4 5 ? anti-parallel J 5 6 ? anti-parallel K 1 2 ? anti-parallel K 2 3 ? anti-parallel K 3 4 ? anti-parallel K 4 5 ? anti-parallel K 5 6 ? anti-parallel K 6 7 ? anti-parallel L 1 2 ? anti-parallel L 2 3 ? anti-parallel L 3 4 ? anti-parallel L 4 5 ? anti-parallel L 5 6 ? anti-parallel L 6 7 ? anti-parallel M 1 2 ? anti-parallel M 2 3 ? anti-parallel M 3 4 ? anti-parallel M 4 5 ? anti-parallel M 5 6 ? anti-parallel N 1 2 ? anti-parallel N 2 3 ? anti-parallel N 3 4 ? anti-parallel N 4 5 ? anti-parallel N 5 6 ? anti-parallel N 6 7 ? anti-parallel O 1 2 ? anti-parallel O 2 3 ? anti-parallel O 3 4 ? anti-parallel O 4 5 ? anti-parallel O 5 6 ? anti-parallel O 6 7 ? anti-parallel # loop_ _struct_sheet_range.sheet_id _struct_sheet_range.id _struct_sheet_range.beg_label_comp_id _struct_sheet_range.beg_label_asym_id _struct_sheet_range.beg_label_seq_id _struct_sheet_range.pdbx_beg_PDB_ins_code _struct_sheet_range.end_label_comp_id _struct_sheet_range.end_label_asym_id _struct_sheet_range.end_label_seq_id _struct_sheet_range.pdbx_end_PDB_ins_code _struct_sheet_range.beg_auth_comp_id _struct_sheet_range.beg_auth_asym_id _struct_sheet_range.beg_auth_seq_id _struct_sheet_range.end_auth_comp_id _struct_sheet_range.end_auth_asym_id _struct_sheet_range.end_auth_seq_id A 1 THR A 112 ? PRO A 113 ? THR A 112 PRO A 113 A 2 ILE A 104 ? ILE A 109 ? ILE A 104 ILE A 109 A 3 VAL A 92 ? GLU A 99 ? VAL A 92 GLU A 99 A 4 ASN A 32 ? TYR A 40 ? ASN A 32 TYR A 40 A 5 GLY A 152 ? TRP A 160 ? GLY A 152 TRP A 160 A 6 LEU A 183 ? ASP A 184 ? LEU A 183 ASP A 184 B 1 LYS A 117 ? GLY A 118 ? LYS A 117 GLY A 118 B 2 ILE A 104 ? ILE A 109 ? ILE A 104 ILE A 109 B 3 VAL A 92 ? GLU A 99 ? VAL A 92 GLU A 99 B 4 ASN A 32 ? TYR A 40 ? ASN A 32 TYR A 40 B 5 GLY A 152 ? TRP A 160 ? GLY A 152 TRP A 160 B 6 LYS A 7 ? PHE A 11 ? LYS A 7 PHE A 11 B 7 ILE A 197 ? PRO A 200 ? ILE A 197 PRO A 200 C 1 HIS A 78 ? LYS A 83 ? HIS A 78 LYS A 83 C 2 GLU A 70 ? ILE A 75 ? GLU A 70 ILE A 75 C 3 ARG A 57 ? ARG A 67 ? ARG A 57 ARG A 67 C 4 TYR A 47 ? THR A 54 ? TYR A 47 THR A 54 C 5 LYS A 130 ? LEU A 133 ? LYS A 130 LEU A 133 C 6 HIS A 19 ? ILE A 23 ? HIS A 19 ILE A 23 C 7 ASN A 189 ? ARG A 193 ? ASN A 189 ARG A 193 D 1 THR B 112 ? PRO B 113 ? THR B 112 PRO B 113 D 2 ILE B 104 ? ILE B 109 ? ILE B 104 ILE B 109 D 3 VAL B 92 ? GLU B 99 ? VAL B 92 GLU B 99 D 4 ASN B 32 ? TYR B 40 ? ASN B 32 TYR B 40 D 5 GLY B 152 ? TRP B 160 ? GLY B 152 TRP B 160 D 6 LEU B 183 ? ASP B 184 ? LEU B 183 ASP B 184 E 1 LYS B 117 ? GLY B 118 ? LYS B 117 GLY B 118 E 2 ILE B 104 ? ILE B 109 ? ILE B 104 ILE B 109 E 3 VAL B 92 ? GLU B 99 ? VAL B 92 GLU B 99 E 4 ASN B 32 ? TYR B 40 ? ASN B 32 TYR B 40 E 5 GLY B 152 ? TRP B 160 ? GLY B 152 TRP B 160 E 6 LYS B 7 ? PHE B 11 ? LYS B 7 PHE B 11 E 7 ILE B 197 ? PRO B 200 ? ILE B 197 PRO B 200 F 1 HIS B 78 ? LYS B 83 ? HIS B 78 LYS B 83 F 2 GLU B 70 ? ILE B 75 ? GLU B 70 ILE B 75 F 3 ARG B 57 ? ARG B 67 ? ARG B 57 ARG B 67 F 4 TYR B 47 ? THR B 54 ? TYR B 47 THR B 54 F 5 LYS B 130 ? LEU B 133 ? LYS B 130 LEU B 133 F 6 HIS B 19 ? ILE B 23 ? HIS B 19 ILE B 23 F 7 ASN B 189 ? ARG B 193 ? ASN B 189 ARG B 193 G 1 THR C 112 ? PRO C 113 ? THR C 112 PRO C 113 G 2 ILE C 104 ? ILE C 109 ? ILE C 104 ILE C 109 G 3 VAL C 92 ? GLU C 99 ? VAL C 92 GLU C 99 G 4 ASN C 32 ? TYR C 40 ? ASN C 32 TYR C 40 G 5 GLY C 152 ? TRP C 160 ? GLY C 152 TRP C 160 G 6 LEU C 183 ? ASP C 184 ? LEU C 183 ASP C 184 H 1 LYS C 117 ? GLY C 118 ? LYS C 117 GLY C 118 H 2 ILE C 104 ? ILE C 109 ? ILE C 104 ILE C 109 H 3 VAL C 92 ? GLU C 99 ? VAL C 92 GLU C 99 H 4 ASN C 32 ? TYR C 40 ? ASN C 32 TYR C 40 H 5 GLY C 152 ? TRP C 160 ? GLY C 152 TRP C 160 H 6 LYS C 7 ? PHE C 11 ? LYS C 7 PHE C 11 H 7 ILE C 197 ? PRO C 200 ? ILE C 197 PRO C 200 I 1 HIS C 78 ? LYS C 83 ? HIS C 78 LYS C 83 I 2 GLU C 70 ? ILE C 75 ? GLU C 70 ILE C 75 I 3 ARG C 57 ? ARG C 67 ? ARG C 57 ARG C 67 I 4 TYR C 47 ? THR C 54 ? TYR C 47 THR C 54 I 5 LYS C 130 ? LEU C 133 ? LYS C 130 LEU C 133 I 6 HIS C 19 ? LEU C 22 ? HIS C 19 LEU C 22 I 7 TYR C 190 ? ARG C 193 ? TYR C 190 ARG C 193 J 1 THR D 112 ? PRO D 113 ? THR D 112 PRO D 113 J 2 ILE D 104 ? ILE D 109 ? ILE D 104 ILE D 109 J 3 VAL D 92 ? GLU D 99 ? VAL D 92 GLU D 99 J 4 ASN D 32 ? TYR D 40 ? ASN D 32 TYR D 40 J 5 GLY D 152 ? TRP D 160 ? GLY D 152 TRP D 160 J 6 LEU D 183 ? ASP D 184 ? LEU D 183 ASP D 184 K 1 LYS D 117 ? GLY D 118 ? LYS D 117 GLY D 118 K 2 ILE D 104 ? ILE D 109 ? ILE D 104 ILE D 109 K 3 VAL D 92 ? GLU D 99 ? VAL D 92 GLU D 99 K 4 ASN D 32 ? TYR D 40 ? ASN D 32 TYR D 40 K 5 GLY D 152 ? TRP D 160 ? GLY D 152 TRP D 160 K 6 LYS D 7 ? PHE D 11 ? LYS D 7 PHE D 11 K 7 ILE D 197 ? PRO D 200 ? ILE D 197 PRO D 200 L 1 HIS D 78 ? LYS D 83 ? HIS D 78 LYS D 83 L 2 GLU D 70 ? ILE D 75 ? GLU D 70 ILE D 75 L 3 ARG D 57 ? ARG D 67 ? ARG D 57 ARG D 67 L 4 TYR D 47 ? THR D 54 ? TYR D 47 THR D 54 L 5 LYS D 130 ? LEU D 133 ? LYS D 130 LEU D 133 L 6 HIS D 19 ? LEU D 22 ? HIS D 19 LEU D 22 L 7 TYR D 190 ? ARG D 193 ? TYR D 190 ARG D 193 M 1 THR E 112 ? PRO E 113 ? THR E 112 PRO E 113 M 2 ILE E 104 ? ILE E 109 ? ILE E 104 ILE E 109 M 3 VAL E 92 ? GLU E 99 ? VAL E 92 GLU E 99 M 4 ASN E 32 ? TYR E 40 ? ASN E 32 TYR E 40 M 5 GLY E 152 ? TRP E 160 ? GLY E 152 TRP E 160 M 6 LEU E 183 ? ASP E 184 ? LEU E 183 ASP E 184 N 1 LYS E 117 ? GLY E 118 ? LYS E 117 GLY E 118 N 2 ILE E 104 ? ILE E 109 ? ILE E 104 ILE E 109 N 3 VAL E 92 ? GLU E 99 ? VAL E 92 GLU E 99 N 4 ASN E 32 ? TYR E 40 ? ASN E 32 TYR E 40 N 5 GLY E 152 ? TRP E 160 ? GLY E 152 TRP E 160 N 6 LYS E 7 ? PHE E 11 ? LYS E 7 PHE E 11 N 7 ILE E 197 ? PRO E 200 ? ILE E 197 PRO E 200 O 1 HIS E 78 ? LYS E 83 ? HIS E 78 LYS E 83 O 2 GLU E 70 ? ILE E 75 ? GLU E 70 ILE E 75 O 3 ARG E 57 ? ARG E 67 ? ARG E 57 ARG E 67 O 4 TYR E 47 ? THR E 54 ? TYR E 47 THR E 54 O 5 LYS E 130 ? LEU E 133 ? LYS E 130 LEU E 133 O 6 HIS E 19 ? ILE E 23 ? HIS E 19 ILE E 23 O 7 ASN E 189 ? ARG E 193 ? ASN E 189 ARG E 193 # loop_ _pdbx_struct_sheet_hbond.sheet_id _pdbx_struct_sheet_hbond.range_id_1 _pdbx_struct_sheet_hbond.range_id_2 _pdbx_struct_sheet_hbond.range_1_label_atom_id _pdbx_struct_sheet_hbond.range_1_label_comp_id _pdbx_struct_sheet_hbond.range_1_label_asym_id _pdbx_struct_sheet_hbond.range_1_label_seq_id _pdbx_struct_sheet_hbond.range_1_PDB_ins_code _pdbx_struct_sheet_hbond.range_1_auth_atom_id _pdbx_struct_sheet_hbond.range_1_auth_comp_id _pdbx_struct_sheet_hbond.range_1_auth_asym_id _pdbx_struct_sheet_hbond.range_1_auth_seq_id _pdbx_struct_sheet_hbond.range_2_label_atom_id _pdbx_struct_sheet_hbond.range_2_label_comp_id _pdbx_struct_sheet_hbond.range_2_label_asym_id _pdbx_struct_sheet_hbond.range_2_label_seq_id _pdbx_struct_sheet_hbond.range_2_PDB_ins_code _pdbx_struct_sheet_hbond.range_2_auth_atom_id _pdbx_struct_sheet_hbond.range_2_auth_comp_id _pdbx_struct_sheet_hbond.range_2_auth_asym_id _pdbx_struct_sheet_hbond.range_2_auth_seq_id A 1 2 O THR A 112 ? O THR A 112 N ILE A 109 ? N ILE A 109 A 2 3 O TRP A 108 ? O TRP A 108 N CYS A 95 ? N CYS A 95 A 3 4 O ILE A 94 ? O ILE A 94 N PHE A 37 ? N PHE A 37 A 4 5 N ARG A 38 ? N ARG A 38 O GLY A 155 ? O GLY A 155 A 5 6 N MET A 159 ? N MET A 159 O LEU A 183 ? O LEU A 183 B 1 2 O LYS A 117 ? O LYS A 117 N ALA A 105 ? N ALA A 105 B 2 3 O TRP A 108 ? O TRP A 108 N CYS A 95 ? N CYS A 95 B 3 4 O ILE A 94 ? O ILE A 94 N PHE A 37 ? N PHE A 37 B 4 5 N ARG A 38 ? N ARG A 38 O GLY A 155 ? O GLY A 155 B 5 6 O GLY A 152 ? O GLY A 152 N PHE A 11 ? N PHE A 11 B 6 7 N VAL A 8 ? N VAL A 8 O LYS A 199 ? O LYS A 199 C 1 2 O SER A 82 ? O SER A 82 N TYR A 71 ? N TYR A 71 C 2 3 O TYR A 74 ? O TYR A 74 N LEU A 62 ? N LEU A 62 C 3 4 O LYS A 65 ? O LYS A 65 N TYR A 47 ? N TYR A 47 C 4 5 N SER A 51 ? N SER A 51 O VAL A 132 ? O VAL A 132 C 5 6 O ILE A 131 ? O ILE A 131 N LEU A 22 ? N LEU A 22 C 6 7 N ILE A 23 ? N ILE A 23 O ASN A 189 ? O ASN A 189 D 1 2 O THR B 112 ? O THR B 112 N ILE B 109 ? N ILE B 109 D 2 3 O TRP B 108 ? O TRP B 108 N CYS B 95 ? N CYS B 95 D 3 4 O ILE B 94 ? O ILE B 94 N PHE B 37 ? N PHE B 37 D 4 5 N ARG B 38 ? N ARG B 38 O GLY B 155 ? O GLY B 155 D 5 6 N MET B 159 ? N MET B 159 O LEU B 183 ? O LEU B 183 E 1 2 O LYS B 117 ? O LYS B 117 N ALA B 105 ? N ALA B 105 E 2 3 O TRP B 108 ? O TRP B 108 N CYS B 95 ? N CYS B 95 E 3 4 O ILE B 94 ? O ILE B 94 N PHE B 37 ? N PHE B 37 E 4 5 N ARG B 38 ? N ARG B 38 O GLY B 155 ? O GLY B 155 E 5 6 O GLY B 152 ? O GLY B 152 N PHE B 11 ? N PHE B 11 E 6 7 N VAL B 8 ? N VAL B 8 O LYS B 199 ? O LYS B 199 F 1 2 O SER B 82 ? O SER B 82 N TYR B 71 ? N TYR B 71 F 2 3 O TYR B 74 ? O TYR B 74 N LEU B 62 ? N LEU B 62 F 3 4 O LYS B 65 ? O LYS B 65 N TYR B 47 ? N TYR B 47 F 4 5 N SER B 51 ? N SER B 51 O VAL B 132 ? O VAL B 132 F 5 6 O ILE B 131 ? O ILE B 131 N LEU B 22 ? N LEU B 22 F 6 7 N ILE B 23 ? N ILE B 23 O ASN B 189 ? O ASN B 189 G 1 2 O THR C 112 ? O THR C 112 N ILE C 109 ? N ILE C 109 G 2 3 O TRP C 108 ? O TRP C 108 N CYS C 95 ? N CYS C 95 G 3 4 O ILE C 94 ? O ILE C 94 N PHE C 37 ? N PHE C 37 G 4 5 N ARG C 38 ? N ARG C 38 O GLY C 155 ? O GLY C 155 G 5 6 N MET C 159 ? N MET C 159 O LEU C 183 ? O LEU C 183 H 1 2 O LYS C 117 ? O LYS C 117 N ALA C 105 ? N ALA C 105 H 2 3 O TRP C 108 ? O TRP C 108 N CYS C 95 ? N CYS C 95 H 3 4 O ILE C 94 ? O ILE C 94 N PHE C 37 ? N PHE C 37 H 4 5 N ARG C 38 ? N ARG C 38 O GLY C 155 ? O GLY C 155 H 5 6 O GLY C 152 ? O GLY C 152 N PHE C 11 ? N PHE C 11 H 6 7 N VAL C 8 ? N VAL C 8 O LYS C 199 ? O LYS C 199 I 1 2 O SER C 82 ? O SER C 82 N TYR C 71 ? N TYR C 71 I 2 3 O TYR C 74 ? O TYR C 74 N LEU C 62 ? N LEU C 62 I 3 4 O LYS C 65 ? O LYS C 65 N TYR C 47 ? N TYR C 47 I 4 5 N SER C 51 ? N SER C 51 O VAL C 132 ? O VAL C 132 I 5 6 O LEU C 133 ? O LEU C 133 N VAL C 20 ? N VAL C 20 I 6 7 N HIS C 19 ? N HIS C 19 O ARG C 193 ? O ARG C 193 J 1 2 O THR D 112 ? O THR D 112 N ILE D 109 ? N ILE D 109 J 2 3 O TRP D 108 ? O TRP D 108 N CYS D 95 ? N CYS D 95 J 3 4 O ILE D 94 ? O ILE D 94 N PHE D 37 ? N PHE D 37 J 4 5 N ARG D 38 ? N ARG D 38 O GLY D 155 ? O GLY D 155 J 5 6 N MET D 159 ? N MET D 159 O LEU D 183 ? O LEU D 183 K 1 2 O LYS D 117 ? O LYS D 117 N ALA D 105 ? N ALA D 105 K 2 3 O TRP D 108 ? O TRP D 108 N CYS D 95 ? N CYS D 95 K 3 4 O ILE D 94 ? O ILE D 94 N PHE D 37 ? N PHE D 37 K 4 5 N ARG D 38 ? N ARG D 38 O GLY D 155 ? O GLY D 155 K 5 6 O GLY D 152 ? O GLY D 152 N PHE D 11 ? N PHE D 11 K 6 7 N VAL D 8 ? N VAL D 8 O LYS D 199 ? O LYS D 199 L 1 2 O SER D 82 ? O SER D 82 N TYR D 71 ? N TYR D 71 L 2 3 O SER D 72 ? O SER D 72 N TYR D 64 ? N TYR D 64 L 3 4 O LYS D 65 ? O LYS D 65 N TYR D 47 ? N TYR D 47 L 4 5 N SER D 51 ? N SER D 51 O VAL D 132 ? O VAL D 132 L 5 6 O LEU D 133 ? O LEU D 133 N VAL D 20 ? N VAL D 20 L 6 7 N HIS D 19 ? N HIS D 19 O ARG D 193 ? O ARG D 193 M 1 2 O THR E 112 ? O THR E 112 N ILE E 109 ? N ILE E 109 M 2 3 O TRP E 108 ? O TRP E 108 N CYS E 95 ? N CYS E 95 M 3 4 O ILE E 94 ? O ILE E 94 N PHE E 37 ? N PHE E 37 M 4 5 N ARG E 38 ? N ARG E 38 O GLY E 155 ? O GLY E 155 M 5 6 N MET E 159 ? N MET E 159 O LEU E 183 ? O LEU E 183 N 1 2 O LYS E 117 ? O LYS E 117 N ALA E 105 ? N ALA E 105 N 2 3 O TRP E 108 ? O TRP E 108 N CYS E 95 ? N CYS E 95 N 3 4 O ILE E 94 ? O ILE E 94 N PHE E 37 ? N PHE E 37 N 4 5 N ARG E 38 ? N ARG E 38 O GLY E 155 ? O GLY E 155 N 5 6 O GLY E 152 ? O GLY E 152 N PHE E 11 ? N PHE E 11 N 6 7 N VAL E 8 ? N VAL E 8 O LYS E 199 ? O LYS E 199 O 1 2 O SER E 82 ? O SER E 82 N TYR E 71 ? N TYR E 71 O 2 3 O SER E 72 ? O SER E 72 N TYR E 64 ? N TYR E 64 O 3 4 O LYS E 65 ? O LYS E 65 N TYR E 47 ? N TYR E 47 O 4 5 N SER E 51 ? N SER E 51 O VAL E 132 ? O VAL E 132 O 5 6 O LEU E 133 ? O LEU E 133 N VAL E 20 ? N VAL E 20 O 6 7 N ILE E 23 ? N ILE E 23 O ASN E 189 ? O ASN E 189 # loop_ _struct_site.id _struct_site.pdbx_evidence_code _struct_site.pdbx_auth_asym_id _struct_site.pdbx_auth_comp_id _struct_site.pdbx_auth_seq_id _struct_site.pdbx_auth_ins_code _struct_site.pdbx_num_residues _struct_site.details AC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA E 205' AC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA E 206' AC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG A 207' AC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA D 205' AC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA D 206' AC6 Software ? ? ? ? 9 'BINDING SITE FOR RESIDUE NAG B 207' AC7 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA C 205' AC8 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA C 206' AC9 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG C 207' BC1 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 205' BC2 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA B 206' BC3 Software ? ? ? ? 5 'BINDING SITE FOR RESIDUE NAG D 207' BC4 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 205' BC5 Software ? ? ? ? 6 'BINDING SITE FOR RESIDUE CA A 206' BC6 Software ? ? ? ? 4 'BINDING SITE FOR RESIDUE NAG E 207' BC7 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE OPE A 700' BC8 Software ? ? ? ? 15 'BINDING SITE FOR RESIDUE OPE B 1700' BC9 Software ? ? ? ? 14 'BINDING SITE FOR RESIDUE OPE C 2700' CC1 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE OPE D 3700' CC2 Software ? ? ? ? 13 'BINDING SITE FOR RESIDUE OPE E 4700' # loop_ _struct_site_gen.id _struct_site_gen.site_id _struct_site_gen.pdbx_num_res _struct_site_gen.label_comp_id _struct_site_gen.label_asym_id _struct_site_gen.label_seq_id _struct_site_gen.pdbx_auth_ins_code _struct_site_gen.auth_comp_id _struct_site_gen.auth_asym_id _struct_site_gen.auth_seq_id _struct_site_gen.label_atom_id _struct_site_gen.label_alt_id _struct_site_gen.symmetry _struct_site_gen.details 1 AC1 6 GLU E 136 ? GLU E 136 . ? 1_555 ? 2 AC1 6 ASP E 138 ? ASP E 138 . ? 1_555 ? 3 AC1 6 GLN E 148 ? GLN E 148 . ? 1_555 ? 4 AC1 6 HOH DA . ? HOH E 225 . ? 1_555 ? 5 AC1 6 HOH DA . ? HOH E 226 . ? 1_555 ? 6 AC1 6 OPE V . ? OPE E 4700 . ? 1_555 ? 7 AC2 6 ASP E 58 ? ASP E 58 . ? 1_555 ? 8 AC2 6 ASN E 59 ? ASN E 59 . ? 1_555 ? 9 AC2 6 GLU E 136 ? GLU E 136 . ? 1_555 ? 10 AC2 6 GLN E 137 ? GLN E 137 . ? 1_555 ? 11 AC2 6 ASP E 138 ? ASP E 138 . ? 1_555 ? 12 AC2 6 OPE V . ? OPE E 4700 . ? 1_555 ? 13 AC3 5 GLN A 31 ? GLN A 31 . ? 1_555 ? 14 AC3 5 ASN A 32 ? ASN A 32 . ? 1_555 ? 15 AC3 5 GLU A 99 ? GLU A 99 . ? 1_555 ? 16 AC3 5 HOH Z . ? HOH A 228 . ? 1_555 ? 17 AC3 5 HOH Z . ? HOH A 230 . ? 1_555 ? 18 AC4 6 GLU D 136 ? GLU D 136 . ? 1_555 ? 19 AC4 6 ASP D 138 ? ASP D 138 . ? 1_555 ? 20 AC4 6 GLN D 148 ? GLN D 148 . ? 1_555 ? 21 AC4 6 HOH CA . ? HOH D 230 . ? 1_555 ? 22 AC4 6 HOH CA . ? HOH D 235 . ? 1_555 ? 23 AC4 6 OPE R . ? OPE D 3700 . ? 1_555 ? 24 AC5 6 ASP D 58 ? ASP D 58 . ? 1_555 ? 25 AC5 6 ASN D 59 ? ASN D 59 . ? 1_555 ? 26 AC5 6 GLU D 136 ? GLU D 136 . ? 1_555 ? 27 AC5 6 GLN D 137 ? GLN D 137 . ? 1_555 ? 28 AC5 6 ASP D 138 ? ASP D 138 . ? 1_555 ? 29 AC5 6 OPE R . ? OPE D 3700 . ? 1_555 ? 30 AC6 9 GLN B 31 ? GLN B 31 . ? 1_555 ? 31 AC6 9 ASN B 32 ? ASN B 32 . ? 1_555 ? 32 AC6 9 GLU B 99 ? GLU B 99 . ? 1_555 ? 33 AC6 9 VAL B 163 ? VAL B 163 . ? 1_555 ? 34 AC6 9 HOH AA . ? HOH B 435 . ? 1_555 ? 35 AC6 9 HOH AA . ? HOH B 436 . ? 1_555 ? 36 AC6 9 HOH AA . ? HOH B 860 . ? 1_555 ? 37 AC6 9 HOH AA . ? HOH B 1308 . ? 1_555 ? 38 AC6 9 HOH AA . ? HOH B 1310 . ? 1_555 ? 39 AC7 6 GLU C 136 ? GLU C 136 . ? 1_555 ? 40 AC7 6 ASP C 138 ? ASP C 138 . ? 1_555 ? 41 AC7 6 GLN C 148 ? GLN C 148 . ? 1_555 ? 42 AC7 6 HOH BA . ? HOH C 228 . ? 1_555 ? 43 AC7 6 HOH BA . ? HOH C 250 . ? 1_555 ? 44 AC7 6 OPE N . ? OPE C 2700 . ? 1_555 ? 45 AC8 6 ASP C 58 ? ASP C 58 . ? 1_555 ? 46 AC8 6 ASN C 59 ? ASN C 59 . ? 1_555 ? 47 AC8 6 GLU C 136 ? GLU C 136 . ? 1_555 ? 48 AC8 6 GLN C 137 ? GLN C 137 . ? 1_555 ? 49 AC8 6 ASP C 138 ? ASP C 138 . ? 1_555 ? 50 AC8 6 OPE N . ? OPE C 2700 . ? 1_555 ? 51 AC9 4 GLN C 31 ? GLN C 31 . ? 1_555 ? 52 AC9 4 ASN C 32 ? ASN C 32 . ? 1_555 ? 53 AC9 4 HOH BA . ? HOH C 476 . ? 1_555 ? 54 AC9 4 HOH BA . ? HOH C 810 . ? 1_555 ? 55 BC1 6 ASP B 58 ? ASP B 58 . ? 1_555 ? 56 BC1 6 ASN B 59 ? ASN B 59 . ? 1_555 ? 57 BC1 6 GLU B 136 ? GLU B 136 . ? 1_555 ? 58 BC1 6 GLN B 137 ? GLN B 137 . ? 1_555 ? 59 BC1 6 ASP B 138 ? ASP B 138 . ? 1_555 ? 60 BC1 6 OPE J . ? OPE B 1700 . ? 1_555 ? 61 BC2 6 GLU B 136 ? GLU B 136 . ? 1_555 ? 62 BC2 6 ASP B 138 ? ASP B 138 . ? 1_555 ? 63 BC2 6 GLN B 148 ? GLN B 148 . ? 1_555 ? 64 BC2 6 HOH AA . ? HOH B 232 . ? 1_555 ? 65 BC2 6 HOH AA . ? HOH B 234 . ? 1_555 ? 66 BC2 6 OPE J . ? OPE B 1700 . ? 1_555 ? 67 BC3 5 GLN D 31 ? GLN D 31 . ? 1_555 ? 68 BC3 5 ASN D 32 ? ASN D 32 . ? 1_555 ? 69 BC3 5 GLU D 99 ? GLU D 99 . ? 1_555 ? 70 BC3 5 HOH CA . ? HOH D 519 . ? 1_555 ? 71 BC3 5 HOH CA . ? HOH D 771 . ? 1_555 ? 72 BC4 6 GLU A 136 ? GLU A 136 . ? 1_555 ? 73 BC4 6 ASP A 138 ? ASP A 138 . ? 1_555 ? 74 BC4 6 GLN A 148 ? GLN A 148 . ? 1_555 ? 75 BC4 6 HOH Z . ? HOH A 226 . ? 1_555 ? 76 BC4 6 HOH Z . ? HOH A 227 . ? 1_555 ? 77 BC4 6 OPE F . ? OPE A 700 . ? 1_555 ? 78 BC5 6 ASP A 58 ? ASP A 58 . ? 1_555 ? 79 BC5 6 ASN A 59 ? ASN A 59 . ? 1_555 ? 80 BC5 6 GLU A 136 ? GLU A 136 . ? 1_555 ? 81 BC5 6 GLN A 137 ? GLN A 137 . ? 1_555 ? 82 BC5 6 ASP A 138 ? ASP A 138 . ? 1_555 ? 83 BC5 6 OPE F . ? OPE A 700 . ? 1_555 ? 84 BC6 4 GLN E 31 ? GLN E 31 . ? 1_555 ? 85 BC6 4 ASN E 32 ? ASN E 32 . ? 1_555 ? 86 BC6 4 HOH DA . ? HOH E 251 . ? 1_555 ? 87 BC6 4 HOH DA . ? HOH E 1230 . ? 1_555 ? 88 BC7 15 ASP A 58 ? ASP A 58 . ? 1_555 ? 89 BC7 15 ASN A 59 ? ASN A 59 . ? 1_555 ? 90 BC7 15 LEU A 62 ? LEU A 62 . ? 1_555 ? 91 BC7 15 TYR A 64 ? TYR A 64 . ? 1_555 ? 92 BC7 15 TYR A 74 ? TYR A 74 . ? 1_555 ? 93 BC7 15 GLU A 136 ? GLU A 136 . ? 1_555 ? 94 BC7 15 ASP A 138 ? ASP A 138 . ? 1_555 ? 95 BC7 15 GLN A 148 ? GLN A 148 . ? 1_555 ? 96 BC7 15 CA G . ? CA A 205 . ? 1_555 ? 97 BC7 15 CA I . ? CA A 206 . ? 1_555 ? 98 BC7 15 HOH Z . ? HOH A 227 . ? 1_555 ? 99 BC7 15 HOH Z . ? HOH A 605 . ? 1_555 ? 100 BC7 15 HOH Z . ? HOH A 752 . ? 1_555 ? 101 BC7 15 HOH Z . ? HOH A 847 . ? 1_555 ? 102 BC7 15 HOH Z . ? HOH A 923 . ? 1_555 ? 103 BC8 15 ASP B 58 ? ASP B 58 . ? 1_555 ? 104 BC8 15 ASN B 59 ? ASN B 59 . ? 1_555 ? 105 BC8 15 TYR B 64 ? TYR B 64 . ? 1_555 ? 106 BC8 15 TYR B 74 ? TYR B 74 . ? 1_555 ? 107 BC8 15 GLU B 136 ? GLU B 136 . ? 1_555 ? 108 BC8 15 ASP B 138 ? ASP B 138 . ? 1_555 ? 109 BC8 15 GLN B 148 ? GLN B 148 . ? 1_555 ? 110 BC8 15 CA K . ? CA B 205 . ? 1_555 ? 111 BC8 15 CA M . ? CA B 206 . ? 1_555 ? 112 BC8 15 HOH AA . ? HOH B 251 . ? 1_555 ? 113 BC8 15 HOH AA . ? HOH B 439 . ? 1_555 ? 114 BC8 15 HOH AA . ? HOH B 457 . ? 1_555 ? 115 BC8 15 HOH AA . ? HOH B 606 . ? 1_555 ? 116 BC8 15 HOH AA . ? HOH B 1367 . ? 1_555 ? 117 BC8 15 HOH AA . ? HOH B 1396 . ? 1_555 ? 118 BC9 14 ASP C 58 ? ASP C 58 . ? 1_555 ? 119 BC9 14 ASN C 59 ? ASN C 59 . ? 1_555 ? 120 BC9 14 TYR C 74 ? TYR C 74 . ? 1_555 ? 121 BC9 14 GLU C 136 ? GLU C 136 . ? 1_555 ? 122 BC9 14 ASP C 138 ? ASP C 138 . ? 1_555 ? 123 BC9 14 GLN C 148 ? GLN C 148 . ? 1_555 ? 124 BC9 14 CA O . ? CA C 205 . ? 1_555 ? 125 BC9 14 CA P . ? CA C 206 . ? 1_555 ? 126 BC9 14 HOH BA . ? HOH C 229 . ? 1_555 ? 127 BC9 14 HOH BA . ? HOH C 231 . ? 1_555 ? 128 BC9 14 HOH BA . ? HOH C 251 . ? 1_555 ? 129 BC9 14 HOH BA . ? HOH C 608 . ? 1_555 ? 130 BC9 14 HOH BA . ? HOH C 913 . ? 1_555 ? 131 BC9 14 HOH BA . ? HOH C 1371 . ? 1_555 ? 132 CC1 13 ASP D 58 ? ASP D 58 . ? 1_555 ? 133 CC1 13 ASN D 59 ? ASN D 59 . ? 1_555 ? 134 CC1 13 TYR D 64 ? TYR D 64 . ? 1_555 ? 135 CC1 13 TYR D 74 ? TYR D 74 . ? 1_555 ? 136 CC1 13 GLU D 136 ? GLU D 136 . ? 1_555 ? 137 CC1 13 ASP D 138 ? ASP D 138 . ? 1_555 ? 138 CC1 13 GLN D 148 ? GLN D 148 . ? 1_555 ? 139 CC1 13 CA S . ? CA D 205 . ? 1_555 ? 140 CC1 13 CA U . ? CA D 206 . ? 1_555 ? 141 CC1 13 HOH CA . ? HOH D 252 . ? 1_555 ? 142 CC1 13 HOH CA . ? HOH D 257 . ? 1_555 ? 143 CC1 13 HOH CA . ? HOH D 610 . ? 1_555 ? 144 CC1 13 HOH CA . ? HOH D 906 . ? 1_555 ? 145 CC2 13 ASP E 58 ? ASP E 58 . ? 1_555 ? 146 CC2 13 ASN E 59 ? ASN E 59 . ? 1_555 ? 147 CC2 13 LEU E 62 ? LEU E 62 . ? 1_555 ? 148 CC2 13 TYR E 64 ? TYR E 64 . ? 1_555 ? 149 CC2 13 TYR E 74 ? TYR E 74 . ? 1_555 ? 150 CC2 13 GLU E 136 ? GLU E 136 . ? 1_555 ? 151 CC2 13 ASP E 138 ? ASP E 138 . ? 1_555 ? 152 CC2 13 GLN E 148 ? GLN E 148 . ? 1_555 ? 153 CC2 13 CA W . ? CA E 205 . ? 1_555 ? 154 CC2 13 CA Y . ? CA E 206 . ? 1_555 ? 155 CC2 13 HOH DA . ? HOH E 582 . ? 1_555 ? 156 CC2 13 HOH DA . ? HOH E 611 . ? 1_555 ? 157 CC2 13 HOH DA . ? HOH E 649 . ? 1_555 ? # _atom_sites.entry_id 3KQR _atom_sites.fract_transf_matrix[1][1] 0.010542 _atom_sites.fract_transf_matrix[1][2] 0.000000 _atom_sites.fract_transf_matrix[1][3] 0.001285 _atom_sites.fract_transf_matrix[2][1] 0.000000 _atom_sites.fract_transf_matrix[2][2] 0.014314 _atom_sites.fract_transf_matrix[2][3] 0.000000 _atom_sites.fract_transf_matrix[3][1] 0.000000 _atom_sites.fract_transf_matrix[3][2] 0.000000 _atom_sites.fract_transf_matrix[3][3] 0.009850 _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 H N O P S # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . HIS A 1 1 ? 1.174 -7.604 67.192 1.00 32.08 ? 1 HIS A N 1 ATOM 2 C CA . HIS A 1 1 ? -0.233 -8.025 67.272 1.00 46.58 ? 1 HIS A CA 1 ATOM 3 C C . HIS A 1 1 ? -1.001 -8.031 65.943 1.00 40.99 ? 1 HIS A C 1 ATOM 4 O O . HIS A 1 1 ? -2.186 -8.342 65.970 1.00 31.70 ? 1 HIS A O 1 ATOM 5 C CB . HIS A 1 1 ? -0.988 -7.143 68.270 1.00 43.29 ? 1 HIS A CB 1 ATOM 6 C CG . HIS A 1 1 ? -2.223 -7.783 68.824 1.00 73.76 ? 1 HIS A CG 1 ATOM 7 N ND1 . HIS A 1 1 ? -2.461 -9.140 68.738 1.00 77.02 ? 1 HIS A ND1 1 ATOM 8 C CD2 . HIS A 1 1 ? -3.283 -7.257 69.483 1.00 80.72 ? 1 HIS A CD2 1 ATOM 9 C CE1 . HIS A 1 1 ? -3.618 -9.419 69.311 1.00 81.23 ? 1 HIS A CE1 1 ATOM 10 N NE2 . HIS A 1 1 ? -4.137 -8.294 69.772 1.00 84.22 ? 1 HIS A NE2 1 ATOM 11 H H1 . HIS A 1 1 ? 1.484 -7.358 68.066 1.00 38.49 ? 1 HIS A H1 1 ATOM 12 H H2 . HIS A 1 1 ? 1.706 -8.330 66.856 1.00 38.49 ? 1 HIS A H2 1 ATOM 13 H H3 . HIS A 1 1 ? 1.249 -6.852 66.601 1.00 38.49 ? 1 HIS A H3 1 ATOM 14 H HA . HIS A 1 1 ? -0.256 -8.941 67.620 1.00 55.89 ? 1 HIS A HA 1 ATOM 15 H HB2 . HIS A 1 1 ? -0.400 -6.938 69.014 1.00 51.94 ? 1 HIS A HB2 1 ATOM 16 H HB3 . HIS A 1 1 ? -1.253 -6.323 67.825 1.00 51.94 ? 1 HIS A HB3 1 ATOM 17 H HD2 . HIS A 1 1 ? -3.411 -6.360 69.695 1.00 96.86 ? 1 HIS A HD2 1 ATOM 18 H HE1 . HIS A 1 1 ? -4.001 -10.263 69.381 1.00 97.47 ? 1 HIS A HE1 1 ATOM 19 H HE2 . HIS A 1 1 ? -4.887 -8.223 70.186 1.00 101.05 ? 1 HIS A HE2 1 ATOM 20 N N . THR A 1 2 ? -0.382 -7.692 64.800 1.00 19.64 ? 2 THR A N 1 ATOM 21 C CA . THR A 1 2 ? -1.048 -7.942 63.511 1.00 15.44 ? 2 THR A CA 1 ATOM 22 C C . THR A 1 2 ? -0.118 -8.648 62.550 1.00 13.90 ? 2 THR A C 1 ATOM 23 O O . THR A 1 2 ? 1.047 -8.262 62.419 1.00 12.86 ? 2 THR A O 1 ATOM 24 C CB . THR A 1 2 ? -1.546 -6.644 62.846 1.00 22.20 ? 2 THR A CB 1 ATOM 25 O OG1 . THR A 1 2 ? -2.434 -5.976 63.744 1.00 29.47 ? 2 THR A OG1 1 ATOM 26 C CG2 . THR A 1 2 ? -2.246 -6.935 61.525 1.00 20.71 ? 2 THR A CG2 1 ATOM 27 H H . THR A 1 2 ? 0.395 -7.328 64.744 1.00 23.56 ? 2 THR A H 1 ATOM 28 H HA . THR A 1 2 ? -1.824 -8.522 63.661 1.00 18.51 ? 2 THR A HA 1 ATOM 29 H HB . THR A 1 2 ? -0.787 -6.069 62.665 1.00 26.63 ? 2 THR A HB 1 ATOM 30 H HG1 . THR A 1 2 ? -2.708 -5.283 63.403 1.00 35.35 ? 2 THR A HG1 1 ATOM 31 H HG21 . THR A 1 2 ? -2.549 -6.115 61.127 1.00 24.84 ? 2 THR A HG21 1 ATOM 32 H HG22 . THR A 1 2 ? -1.639 -7.369 60.921 1.00 24.84 ? 2 THR A HG22 1 ATOM 33 H HG23 . THR A 1 2 ? -3.002 -7.507 61.673 1.00 24.84 ? 2 THR A HG23 1 ATOM 34 N N . ASP A 1 3 ? -0.588 -9.694 61.886 1.00 13.76 ? 3 ASP A N 1 ATOM 35 C CA . ASP A 1 3 ? 0.183 -10.384 60.859 1.00 11.98 ? 3 ASP A CA 1 ATOM 36 C C . ASP A 1 3 ? -0.152 -9.740 59.527 1.00 12.96 ? 3 ASP A C 1 ATOM 37 O O . ASP A 1 3 ? -1.229 -9.945 58.959 1.00 13.27 ? 3 ASP A O 1 ATOM 38 C CB . ASP A 1 3 ? -0.113 -11.898 60.865 1.00 13.53 ? 3 ASP A CB 1 ATOM 39 C CG . ASP A 1 3 ? 0.666 -12.664 59.852 1.00 16.36 ? 3 ASP A CG 1 ATOM 40 O OD1 . ASP A 1 3 ? 1.442 -12.069 59.080 1.00 12.17 ? 3 ASP A OD1 1 ATOM 41 O OD2 . ASP A 1 3 ? 0.541 -13.920 59.778 1.00 15.92 ? 3 ASP A OD2 1 ATOM 42 H H . ASP A 1 3 ? -1.368 -10.032 62.015 1.00 16.50 ? 3 ASP A H 1 ATOM 43 H HA . ASP A 1 3 ? 1.139 -10.257 61.031 1.00 14.37 ? 3 ASP A HA 1 ATOM 44 H HB2 . ASP A 1 3 ? 0.106 -12.256 61.740 1.00 16.22 ? 3 ASP A HB2 1 ATOM 45 H HB3 . ASP A 1 3 ? -1.055 -12.033 60.679 1.00 16.22 ? 3 ASP A HB3 1 ATOM 46 N N . LEU A 1 4 ? 0.769 -8.915 59.039 1.00 9.46 ? 4 LEU A N 1 ATOM 47 C CA . LEU A 1 4 ? 0.583 -8.239 57.748 1.00 11.21 ? 4 LEU A CA 1 ATOM 48 C C . LEU A 1 4 ? 1.133 -9.013 56.572 1.00 10.34 ? 4 LEU A C 1 ATOM 49 O O . LEU A 1 4 ? 1.319 -8.459 55.490 1.00 9.76 ? 4 LEU A O 1 ATOM 50 C CB . LEU A 1 4 ? 1.161 -6.813 57.802 1.00 9.41 ? 4 LEU A CB 1 ATOM 51 C CG . LEU A 1 4 ? 0.470 -5.838 58.723 1.00 10.08 ? 4 LEU A CG 1 ATOM 52 C CD1 . LEU A 1 4 ? 1.143 -4.491 58.749 1.00 13.69 ? 4 LEU A CD1 1 ATOM 53 C CD2 . LEU A 1 4 ? -0.959 -5.663 58.254 1.00 12.89 ? 4 LEU A CD2 1 ATOM 54 H H . LEU A 1 4 ? 1.511 -8.726 59.432 1.00 11.34 ? 4 LEU A H 1 ATOM 55 H HA . LEU A 1 4 ? -0.381 -8.148 57.597 1.00 13.44 ? 4 LEU A HA 1 ATOM 56 H HB2 . LEU A 1 4 ? 2.086 -6.872 58.088 1.00 11.28 ? 4 LEU A HB2 1 ATOM 57 H HB3 . LEU A 1 4 ? 1.126 -6.437 56.908 1.00 11.28 ? 4 LEU A HB3 1 ATOM 58 H HG . LEU A 1 4 ? 0.458 -6.196 59.624 1.00 12.08 ? 4 LEU A HG 1 ATOM 59 H HD11 . LEU A 1 4 ? 0.663 -3.914 59.348 1.00 16.42 ? 4 LEU A HD11 1 ATOM 60 H HD12 . LEU A 1 4 ? 2.047 -4.600 59.052 1.00 16.42 ? 4 LEU A HD12 1 ATOM 61 H HD13 . LEU A 1 4 ? 1.136 -4.122 57.863 1.00 16.42 ? 4 LEU A HD13 1 ATOM 62 H HD21 . LEU A 1 4 ? -1.405 -5.044 58.837 1.00 15.46 ? 4 LEU A HD21 1 ATOM 63 H HD22 . LEU A 1 4 ? -0.954 -5.324 57.356 1.00 15.46 ? 4 LEU A HD22 1 ATOM 64 H HD23 . LEU A 1 4 ? -1.403 -6.514 58.280 1.00 15.46 ? 4 LEU A HD23 1 ATOM 65 N N . SER A 1 5 ? 1.426 -10.303 56.734 1.00 10.12 ? 5 SER A N 1 ATOM 66 C CA . SER A 1 5 ? 1.862 -11.103 55.632 1.00 9.84 ? 5 SER A CA 1 ATOM 67 C C . SER A 1 5 ? 0.983 -10.888 54.421 1.00 9.03 ? 5 SER A C 1 ATOM 68 O O . SER A 1 5 ? -0.251 -11.005 54.510 1.00 12.03 ? 5 SER A O 1 ATOM 69 C CB . SER A 1 5 ? 1.774 -12.606 55.966 1.00 12.90 ? 5 SER A CB 1 ATOM 70 O OG . SER A 1 5 ? 2.746 -12.937 56.929 1.00 13.83 ? 5 SER A OG 1 ATOM 71 H H . SER A 1 5 ? 1.375 -10.725 57.482 1.00 12.14 ? 5 SER A H 1 ATOM 72 H HA . SER A 1 5 ? 2.787 -10.880 55.399 1.00 11.79 ? 5 SER A HA 1 ATOM 73 H HB2 . SER A 1 5 ? 0.893 -12.803 56.321 1.00 15.47 ? 5 SER A HB2 1 ATOM 74 H HB3 . SER A 1 5 ? 1.934 -13.122 55.160 1.00 15.47 ? 5 SER A HB3 1 ATOM 75 H HG . SER A 1 5 ? 2.702 -13.736 57.108 1.00 16.58 ? 5 SER A HG 1 ATOM 76 N N . GLY A 1 6 ? 1.600 -10.648 53.275 1.00 10.36 ? 6 GLY A N 1 ATOM 77 C CA . GLY A 1 6 ? 0.859 -10.511 52.052 1.00 11.38 ? 6 GLY A CA 1 ATOM 78 C C . GLY A 1 6 ? 0.235 -9.137 51.856 1.00 11.25 ? 6 GLY A C 1 ATOM 79 O O . GLY A 1 6 ? -0.509 -8.962 50.894 1.00 11.97 ? 6 GLY A O 1 ATOM 80 H H . GLY A 1 6 ? 2.451 -10.561 53.186 1.00 12.42 ? 6 GLY A H 1 ATOM 81 H HA2 . GLY A 1 6 ? 1.450 -10.684 51.302 1.00 13.64 ? 6 GLY A HA2 1 ATOM 82 H HA3 . GLY A 1 6 ? 0.148 -11.171 52.036 1.00 13.64 ? 6 GLY A HA3 1 ATOM 83 N N . LYS A 1 7 ? 0.529 -8.189 52.750 1.00 10.68 ? 7 LYS A N 1 ATOM 84 C CA . LYS A 1 7 ? -0.078 -6.868 52.718 1.00 9.75 ? 7 LYS A CA 1 ATOM 85 C C . LYS A 1 7 ? 1.010 -5.802 52.703 1.00 9.22 ? 7 LYS A C 1 ATOM 86 O O . LYS A 1 7 ? 2.166 -6.058 53.084 1.00 11.06 ? 7 LYS A O 1 ATOM 87 C CB . LYS A 1 7 ? -1.001 -6.659 53.910 1.00 11.71 ? 7 LYS A CB 1 ATOM 88 C CG . LYS A 1 7 ? -2.154 -7.689 53.965 1.00 15.17 ? 7 LYS A CG 1 ATOM 89 C CD . LYS A 1 7 ? -3.040 -7.459 55.161 1.00 20.43 ? 7 LYS A CD 1 ATOM 90 C CE . LYS A 1 7 ? -4.359 -8.201 55.020 1.00 30.76 ? 7 LYS A CE 1 ATOM 91 N NZ . LYS A 1 7 ? -4.149 -9.653 55.129 1.00 40.98 ? 7 LYS A NZ 1 ATOM 92 H H . LYS A 1 7 ? 1.088 -8.295 53.394 1.00 12.81 ? 7 LYS A H 1 ATOM 93 H HA . LYS A 1 7 ? -0.609 -6.776 51.899 1.00 11.69 ? 7 LYS A HA 1 ATOM 94 H HB2 . LYS A 1 7 ? -0.485 -6.743 54.727 1.00 14.05 ? 7 LYS A HB2 1 ATOM 95 H HB3 . LYS A 1 7 ? -1.393 -5.774 53.855 1.00 14.05 ? 7 LYS A HB3 1 ATOM 96 H HG2 . LYS A 1 7 ? -2.696 -7.607 53.164 1.00 18.19 ? 7 LYS A HG2 1 ATOM 97 H HG3 . LYS A 1 7 ? -1.783 -8.583 54.029 1.00 18.19 ? 7 LYS A HG3 1 ATOM 98 H HD2 . LYS A 1 7 ? -2.593 -7.780 55.959 1.00 24.51 ? 7 LYS A HD2 1 ATOM 99 H HD3 . LYS A 1 7 ? -3.231 -6.511 55.241 1.00 24.51 ? 7 LYS A HD3 1 ATOM 100 H HE2 . LYS A 1 7 ? -4.963 -7.924 55.727 1.00 36.91 ? 7 LYS A HE2 1 ATOM 101 H HE3 . LYS A 1 7 ? -4.746 -8.011 54.151 1.00 36.91 ? 7 LYS A HE3 1 ATOM 102 H HZ1 . LYS A 1 7 ? -3.766 -9.865 55.983 1.00 49.16 ? 7 LYS A HZ1 1 ATOM 103 H HZ2 . LYS A 1 7 ? -4.986 -10.113 55.039 1.00 49.16 ? 7 LYS A HZ2 1 ATOM 104 H HZ3 . LYS A 1 7 ? -3.553 -9.951 54.437 1.00 49.16 ? 7 LYS A HZ3 1 ATOM 105 N N . VAL A 1 8 ? 0.607 -4.606 52.304 1.00 8.85 ? 8 VAL A N 1 ATOM 106 C CA . VAL A 1 8 ? 1.465 -3.439 52.278 1.00 6.94 ? 8 VAL A CA 1 ATOM 107 C C . VAL A 1 8 ? 0.755 -2.261 52.895 1.00 8.16 ? 8 VAL A C 1 ATOM 108 O O . VAL A 1 8 ? -0.478 -2.182 52.911 1.00 10.11 ? 8 VAL A O 1 ATOM 109 C CB . VAL A 1 8 ? 1.855 -3.009 50.841 1.00 11.20 ? 8 VAL A CB 1 ATOM 110 C CG1 . VAL A 1 8 ? 2.771 -4.010 50.212 1.00 14.95 ? 8 VAL A CG1 1 ATOM 111 C CG2 . VAL A 1 8 ? 0.657 -2.778 49.948 1.00 10.67 ? 8 VAL A CG2 1 ATOM 112 H H . VAL A 1 8 ? -0.193 -4.442 52.034 1.00 10.61 ? 8 VAL A H 1 ATOM 113 H HA . VAL A 1 8 ? 2.283 -3.617 52.788 1.00 8.32 ? 8 VAL A HA 1 ATOM 114 H HB . VAL A 1 8 ? 2.344 -2.161 50.896 1.00 13.43 ? 8 VAL A HB 1 ATOM 115 H HG11 . VAL A 1 8 ? 2.994 -3.716 49.325 1.00 17.93 ? 8 VAL A HG11 1 ATOM 116 H HG12 . VAL A 1 8 ? 3.568 -4.081 50.743 1.00 17.93 ? 8 VAL A HG12 1 ATOM 117 H HG13 . VAL A 1 8 ? 2.326 -4.859 50.173 1.00 17.93 ? 8 VAL A HG13 1 ATOM 118 H HG21 . VAL A 1 8 ? 0.963 -2.515 49.077 1.00 12.79 ? 8 VAL A HG21 1 ATOM 119 H HG22 . VAL A 1 8 ? 0.152 -3.592 49.887 1.00 12.79 ? 8 VAL A HG22 1 ATOM 120 H HG23 . VAL A 1 8 ? 0.114 -2.083 50.328 1.00 12.79 ? 8 VAL A HG23 1 ATOM 121 N N . PHE A 1 9 ? 1.524 -1.284 53.355 1.00 7.82 ? 9 PHE A N 1 ATOM 122 C CA . PHE A 1 9 ? 0.980 0.056 53.593 1.00 7.56 ? 9 PHE A CA 1 ATOM 123 C C . PHE A 1 9 ? 1.094 0.841 52.278 1.00 8.14 ? 9 PHE A C 1 ATOM 124 O O . PHE A 1 9 ? 2.190 0.896 51.664 1.00 8.74 ? 9 PHE A O 1 ATOM 125 C CB . PHE A 1 9 ? 1.776 0.829 54.647 1.00 8.20 ? 9 PHE A CB 1 ATOM 126 C CG . PHE A 1 9 ? 1.637 0.301 56.050 1.00 10.00 ? 9 PHE A CG 1 ATOM 127 C CD1 . PHE A 1 9 ? 0.403 0.187 56.659 1.00 11.39 ? 9 PHE A CD1 1 ATOM 128 C CD2 . PHE A 1 9 ? 2.767 0.018 56.801 1.00 10.74 ? 9 PHE A CD2 1 ATOM 129 C CE1 . PHE A 1 9 ? 0.298 -0.266 57.979 1.00 12.90 ? 9 PHE A CE1 1 ATOM 130 C CE2 . PHE A 1 9 ? 2.669 -0.442 58.118 1.00 9.90 ? 9 PHE A CE2 1 ATOM 131 C CZ . PHE A 1 9 ? 1.455 -0.606 58.691 1.00 12.31 ? 9 PHE A CZ 1 ATOM 132 H H . PHE A 1 9 ? 2.360 -1.364 53.538 1.00 9.37 ? 9 PHE A H 1 ATOM 133 H HA . PHE A 1 9 ? 0.039 0.003 53.864 1.00 9.06 ? 9 PHE A HA 1 ATOM 134 H HB2 . PHE A 1 9 ? 2.716 0.793 54.412 1.00 9.83 ? 9 PHE A HB2 1 ATOM 135 H HB3 . PHE A 1 9 ? 1.474 1.750 54.648 1.00 9.83 ? 9 PHE A HB3 1 ATOM 136 H HD1 . PHE A 1 9 ? -0.367 0.390 56.179 1.00 13.66 ? 9 PHE A HD1 1 ATOM 137 H HD2 . PHE A 1 9 ? 3.607 0.103 56.409 1.00 12.88 ? 9 PHE A HD2 1 ATOM 138 H HE1 . PHE A 1 9 ? -0.539 -0.373 58.370 1.00 15.47 ? 9 PHE A HE1 1 ATOM 139 H HE2 . PHE A 1 9 ? 3.439 -0.658 58.592 1.00 11.86 ? 9 PHE A HE2 1 ATOM 140 H HZ . PHE A 1 9 ? 1.391 -0.897 59.572 1.00 14.76 ? 9 PHE A HZ 1 ATOM 141 N N . VAL A 1 10 ? -0.003 1.498 51.888 1.00 7.94 ? 10 VAL A N 1 ATOM 142 C CA . VAL A 1 10 ? -0.023 2.387 50.723 1.00 8.58 ? 10 VAL A CA 1 ATOM 143 C C . VAL A 1 10 ? -0.123 3.801 51.228 1.00 8.71 ? 10 VAL A C 1 ATOM 144 O O . VAL A 1 10 ? -1.087 4.151 51.932 1.00 9.07 ? 10 VAL A O 1 ATOM 145 C CB . VAL A 1 10 ? -1.197 2.112 49.799 1.00 8.69 ? 10 VAL A CB 1 ATOM 146 C CG1 . VAL A 1 10 ? -1.105 2.960 48.567 1.00 10.73 ? 10 VAL A CG1 1 ATOM 147 C CG2 . VAL A 1 10 ? -1.288 0.654 49.401 1.00 10.36 ? 10 VAL A CG2 1 ATOM 148 H H . VAL A 1 10 ? -0.762 1.443 52.290 1.00 9.51 ? 10 VAL A H 1 ATOM 149 H HA . VAL A 1 10 ? 0.810 2.290 50.215 1.00 10.29 ? 10 VAL A HA 1 ATOM 150 H HB . VAL A 1 10 ? -2.026 2.348 50.264 1.00 10.41 ? 10 VAL A HB 1 ATOM 151 H HG11 . VAL A 1 10 ? -1.856 2.770 48.000 1.00 12.86 ? 10 VAL A HG11 1 ATOM 152 H HG12 . VAL A 1 10 ? -1.115 3.886 48.823 1.00 12.86 ? 10 VAL A HG12 1 ATOM 153 H HG13 . VAL A 1 10 ? -0.287 2.756 48.107 1.00 12.86 ? 10 VAL A HG13 1 ATOM 154 H HG21 . VAL A 1 10 ? -2.043 0.535 48.820 1.00 12.42 ? 10 VAL A HG21 1 ATOM 155 H HG22 . VAL A 1 10 ? -0.481 0.404 48.945 1.00 12.42 ? 10 VAL A HG22 1 ATOM 156 H HG23 . VAL A 1 10 ? -1.396 0.121 50.192 1.00 12.42 ? 10 VAL A HG23 1 ATOM 157 N N . PHE A 1 11 ? 0.872 4.616 50.893 1.00 8.48 ? 11 PHE A N 1 ATOM 158 C CA . PHE A 1 11 ? 0.862 6.037 51.146 1.00 9.60 ? 11 PHE A CA 1 ATOM 159 C C . PHE A 1 11 ? 0.464 6.635 49.810 1.00 10.01 ? 11 PHE A C 1 ATOM 160 O O . PHE A 1 11 ? 1.300 6.797 48.946 1.00 9.62 ? 11 PHE A O 1 ATOM 161 C CB . PHE A 1 11 ? 2.250 6.506 51.600 1.00 10.71 ? 11 PHE A CB 1 ATOM 162 C CG . PHE A 1 11 ? 2.726 5.819 52.858 1.00 9.04 ? 11 PHE A CG 1 ATOM 163 C CD1 . PHE A 1 11 ? 3.306 4.587 52.801 1.00 10.80 ? 11 PHE A CD1 1 ATOM 164 C CD2 . PHE A 1 11 ? 2.542 6.407 54.080 1.00 11.56 ? 11 PHE A CD2 1 ATOM 165 C CE1 . PHE A 1 11 ? 3.710 3.945 53.968 1.00 12.23 ? 11 PHE A CE1 1 ATOM 166 C CE2 . PHE A 1 11 ? 2.945 5.767 55.240 1.00 14.29 ? 11 PHE A CE2 1 ATOM 167 C CZ . PHE A 1 11 ? 3.524 4.526 55.165 1.00 13.42 ? 11 PHE A CZ 1 ATOM 168 H H . PHE A 1 11 ? 1.589 4.349 50.502 1.00 10.17 ? 11 PHE A H 1 ATOM 169 H HA . PHE A 1 11 ? 0.193 6.265 51.825 1.00 11.51 ? 11 PHE A HA 1 ATOM 170 H HB2 . PHE A 1 11 ? 2.892 6.319 50.897 1.00 12.84 ? 11 PHE A HB2 1 ATOM 171 H HB3 . PHE A 1 11 ? 2.219 7.460 51.774 1.00 12.84 ? 11 PHE A HB3 1 ATOM 172 H HD1 . PHE A 1 11 ? 3.426 4.170 51.979 1.00 12.95 ? 11 PHE A HD1 1 ATOM 173 H HD2 . PHE A 1 11 ? 2.137 7.243 54.132 1.00 13.86 ? 11 PHE A HD2 1 ATOM 174 H HE1 . PHE A 1 11 ? 4.110 3.107 53.919 1.00 14.67 ? 11 PHE A HE1 1 ATOM 175 H HE2 . PHE A 1 11 ? 2.822 6.175 56.066 1.00 17.14 ? 11 PHE A HE2 1 ATOM 176 H HZ . PHE A 1 11 ? 3.810 4.099 55.939 1.00 16.09 ? 11 PHE A HZ 1 ATOM 177 N N . PRO A 1 12 ? -0.819 6.966 49.625 1.00 10.02 ? 12 PRO A N 1 ATOM 178 C CA . PRO A 1 12 ? -1.294 7.133 48.249 1.00 9.26 ? 12 PRO A CA 1 ATOM 179 C C . PRO A 1 12 ? -1.119 8.536 47.663 1.00 9.90 ? 12 PRO A C 1 ATOM 180 O O . PRO A 1 12 ? -1.472 8.733 46.503 1.00 10.89 ? 12 PRO A O 1 ATOM 181 C CB . PRO A 1 12 ? -2.804 6.808 48.354 1.00 10.72 ? 12 PRO A CB 1 ATOM 182 C CG . PRO A 1 12 ? -2.993 6.203 49.753 1.00 10.51 ? 12 PRO A CG 1 ATOM 183 C CD . PRO A 1 12 ? -1.959 6.897 50.559 1.00 10.63 ? 12 PRO A CD 1 ATOM 184 H HA . PRO A 1 12 ? -0.863 6.480 47.660 1.00 11.10 ? 12 PRO A HA 1 ATOM 185 H HB2 . PRO A 1 12 ? -3.321 7.624 48.261 1.00 12.85 ? 12 PRO A HB2 1 ATOM 186 H HB3 . PRO A 1 12 ? -3.049 6.167 47.668 1.00 12.85 ? 12 PRO A HB3 1 ATOM 187 H HG2 . PRO A 1 12 ? -3.883 6.401 50.084 1.00 12.60 ? 12 PRO A HG2 1 ATOM 188 H HG3 . PRO A 1 12 ? -2.832 5.247 49.727 1.00 12.60 ? 12 PRO A HG3 1 ATOM 189 H HD2 . PRO A 1 12 ? -2.256 7.788 50.800 1.00 12.75 ? 12 PRO A HD2 1 ATOM 190 H HD3 . PRO A 1 12 ? -1.727 6.372 51.341 1.00 12.75 ? 12 PRO A HD3 1 ATOM 191 N N . ARG A 1 13 ? -0.607 9.460 48.450 1.00 9.81 ? 13 ARG A N 1 ATOM 192 C CA . ARG A 1 13 ? -0.473 10.841 48.011 1.00 11.92 ? 13 ARG A CA 1 ATOM 193 C C . ARG A 1 13 ? 0.679 11.488 48.743 1.00 12.17 ? 13 ARG A C 1 ATOM 194 O O . ARG A 1 13 ? 1.113 11.055 49.833 1.00 13.65 ? 13 ARG A O 1 ATOM 195 C CB . ARG A 1 13 ? -1.766 11.629 48.263 1.00 12.14 ? 13 ARG A CB 1 ATOM 196 C CG . ARG A 1 13 ? -1.952 11.876 49.733 1.00 15.02 ? 13 ARG A CG 1 ATOM 197 C CD . ARG A 1 13 ? -3.152 12.734 50.095 1.00 15.89 ? 13 ARG A CD 1 ATOM 198 N NE . ARG A 1 13 ? -3.230 12.798 51.543 1.00 16.79 ? 13 ARG A NE 1 ATOM 199 C CZ . ARG A 1 13 ? -4.227 13.355 52.216 1.00 20.23 ? 13 ARG A CZ 1 ATOM 200 N NH1 . ARG A 1 13 ? -5.256 13.876 51.553 1.00 24.31 ? 13 ARG A NH1 1 ATOM 201 N NH2 . ARG A 1 13 ? -4.196 13.352 53.538 1.00 19.06 ? 13 ARG A NH2 1 ATOM 202 H H . ARG A 1 13 ? -0.326 9.317 49.250 1.00 11.76 ? 13 ARG A H 1 ATOM 203 H HA . ARG A 1 13 ? -0.280 10.860 47.051 1.00 14.29 ? 13 ARG A HA 1 ATOM 204 H HB2 . ARG A 1 13 ? -1.715 12.486 47.812 1.00 14.56 ? 13 ARG A HB2 1 ATOM 205 H HB3 . ARG A 1 13 ? -2.524 11.119 47.939 1.00 14.56 ? 13 ARG A HB3 1 ATOM 206 H HG2 . ARG A 1 13 ? -2.060 11.020 50.178 1.00 18.01 ? 13 ARG A HG2 1 ATOM 207 H HG3 . ARG A 1 13 ? -1.161 12.321 50.074 1.00 18.01 ? 13 ARG A HG3 1 ATOM 208 H HD2 . ARG A 1 13 ? -3.035 13.632 49.746 1.00 19.06 ? 13 ARG A HD2 1 ATOM 209 H HD3 . ARG A 1 13 ? -3.964 12.331 49.753 1.00 19.06 ? 13 ARG A HD3 1 ATOM 210 H HE . ARG A 1 13 ? -2.504 12.407 52.052 1.00 20.13 ? 13 ARG A HE 1 ATOM 211 H HH11 . ARG A 1 13 ? -5.263 13.867 50.693 1.00 29.16 ? 13 ARG A HH11 1 ATOM 212 H HH12 . ARG A 1 13 ? -5.908 14.235 51.984 1.00 29.16 ? 13 ARG A HH12 1 ATOM 213 H HH21 . ARG A 1 13 ? -3.526 13.006 53.951 1.00 22.86 ? 13 ARG A HH21 1 ATOM 214 H HH22 . ARG A 1 13 ? -4.841 13.706 53.983 1.00 22.86 ? 13 ARG A HH22 1 ATOM 215 N N . GLU A 1 14 ? 1.178 12.560 48.131 1.00 13.06 ? 14 GLU A N 1 ATOM 216 C CA . GLU A 1 14 ? 2.124 13.429 48.789 1.00 11.22 ? 14 GLU A CA 1 ATOM 217 C C . GLU A 1 14 ? 1.416 14.275 49.841 1.00 12.68 ? 14 GLU A C 1 ATOM 218 O O . GLU A 1 14 ? 0.328 14.822 49.595 1.00 16.08 ? 14 GLU A O 1 ATOM 219 C CB . GLU A 1 14 ? 2.795 14.324 47.750 1.00 17.61 ? 14 GLU A CB 1 ATOM 220 C CG . GLU A 1 14 ? 3.862 15.180 48.309 1.00 18.52 ? 14 GLU A CG 1 ATOM 221 C CD . GLU A 1 14 ? 4.628 15.899 47.226 1.00 26.40 ? 14 GLU A CD 1 ATOM 222 O OE1 . GLU A 1 14 ? 4.361 17.105 47.046 1.00 34.67 ? 14 GLU A OE1 1 ATOM 223 O OE2 . GLU A 1 14 ? 5.452 15.255 46.535 1.00 19.34 ? 14 GLU A OE2 1 ATOM 224 H H . GLU A 1 14 ? 0.977 12.801 47.330 1.00 15.66 ? 14 GLU A H 1 ATOM 225 H HA . GLU A 1 14 ? 2.814 12.891 49.232 1.00 13.46 ? 14 GLU A HA 1 ATOM 226 H HB2 . GLU A 1 14 ? 3.190 13.765 47.064 1.00 21.12 ? 14 GLU A HB2 1 ATOM 227 H HB3 . GLU A 1 14 ? 2.124 14.904 47.357 1.00 21.12 ? 14 GLU A HB3 1 ATOM 228 H HG2 . GLU A 1 14 ? 3.465 15.845 48.893 1.00 22.21 ? 14 GLU A HG2 1 ATOM 229 H HG3 . GLU A 1 14 ? 4.486 14.628 48.807 1.00 22.21 ? 14 GLU A HG3 1 ATOM 230 N N . SER A 1 15 ? 2.018 14.360 51.011 1.00 13.99 ? 15 SER A N 1 ATOM 231 C CA . SER A 1 15 ? 1.426 15.111 52.104 1.00 13.65 ? 15 SER A CA 1 ATOM 232 C C . SER A 1 15 ? 2.474 15.424 53.115 1.00 14.67 ? 15 SER A C 1 ATOM 233 O O . SER A 1 15 ? 3.566 14.893 53.053 1.00 16.55 ? 15 SER A O 1 ATOM 234 C CB . SER A 1 15 ? 0.325 14.288 52.766 1.00 17.11 ? 15 SER A CB 1 ATOM 235 O OG . SER A 1 15 ? 0.897 13.334 53.656 1.00 16.10 ? 15 SER A OG 1 ATOM 236 H H . SER A 1 15 ? 2.772 13.993 51.201 1.00 16.78 ? 15 SER A H 1 ATOM 237 H HA . SER A 1 15 ? 1.043 15.948 51.769 1.00 16.37 ? 15 SER A HA 1 ATOM 238 H HB2 . SER A 1 15 ? -0.258 14.881 53.265 1.00 20.52 ? 15 SER A HB2 1 ATOM 239 H HB3 . SER A 1 15 ? -0.180 13.822 52.081 1.00 20.52 ? 15 SER A HB3 1 ATOM 240 H HG . SER A 1 15 ? 1.714 13.401 53.651 1.00 19.31 ? 15 SER A HG 1 ATOM 241 N N . VAL A 1 16 ? 2.134 16.262 54.090 1.00 15.12 ? 16 VAL A N 1 ATOM 242 C CA . VAL A 1 16 ? 2.974 16.470 55.251 1.00 18.58 ? 16 VAL A CA 1 ATOM 243 C C . VAL A 1 16 ? 2.351 15.827 56.494 1.00 16.69 ? 16 VAL A C 1 ATOM 244 O O . VAL A 1 16 ? 2.837 16.027 57.596 1.00 25.90 ? 16 VAL A O 1 ATOM 245 C CB . VAL A 1 16 ? 3.212 17.978 55.457 1.00 22.69 ? 16 VAL A CB 1 ATOM 246 C CG1 . VAL A 1 16 ? 1.919 18.646 55.932 1.00 23.57 ? 16 VAL A CG1 1 ATOM 247 C CG2 . VAL A 1 16 ? 4.394 18.227 56.406 1.00 25.19 ? 16 VAL A CG2 1 ATOM 248 H H . VAL A 1 16 ? 1.410 16.726 54.097 1.00 18.13 ? 16 VAL A H 1 ATOM 249 H HA . VAL A 1 16 ? 3.843 16.045 55.095 1.00 22.28 ? 16 VAL A HA 1 ATOM 250 H HB . VAL A 1 16 ? 3.445 18.375 54.592 1.00 27.22 ? 16 VAL A HB 1 ATOM 251 H HG11 . VAL A 1 16 ? 2.080 19.584 56.057 1.00 28.28 ? 16 VAL A HG11 1 ATOM 252 H HG12 . VAL A 1 16 ? 1.239 18.516 55.267 1.00 28.28 ? 16 VAL A HG12 1 ATOM 253 H HG13 . VAL A 1 16 ? 1.648 18.246 56.761 1.00 28.28 ? 16 VAL A HG13 1 ATOM 254 H HG21 . VAL A 1 16 ? 4.515 19.174 56.512 1.00 30.21 ? 16 VAL A HG21 1 ATOM 255 H HG22 . VAL A 1 16 ? 4.203 17.824 57.256 1.00 30.21 ? 16 VAL A HG22 1 ATOM 256 H HG23 . VAL A 1 16 ? 5.186 17.837 56.028 1.00 30.21 ? 16 VAL A HG23 1 ATOM 257 N N . THR A 1 17 ? 1.272 15.062 56.316 1.00 17.14 ? 17 THR A N 1 ATOM 258 C CA . THR A 1 17 ? 0.514 14.488 57.418 1.00 20.77 ? 17 THR A CA 1 ATOM 259 C C . THR A 1 17 ? 0.489 12.966 57.461 1.00 16.40 ? 17 THR A C 1 ATOM 260 O O . THR A 1 17 ? 0.459 12.402 58.536 1.00 19.76 ? 17 THR A O 1 ATOM 261 C CB . THR A 1 17 ? -0.980 14.933 57.347 1.00 25.28 ? 17 THR A CB 1 ATOM 262 O OG1 . THR A 1 17 ? -1.505 14.633 56.043 1.00 32.75 ? 17 THR A OG1 1 ATOM 263 C CG2 . THR A 1 17 ? -1.107 16.412 57.629 1.00 37.82 ? 17 THR A CG2 1 ATOM 264 H H . THR A 1 17 ? 0.955 14.859 55.543 1.00 20.56 ? 17 THR A H 1 ATOM 265 H HA . THR A 1 17 ? 0.888 14.810 58.265 1.00 24.91 ? 17 THR A HA 1 ATOM 266 H HB . THR A 1 17 ? -1.490 14.450 58.017 1.00 30.33 ? 17 THR A HB 1 ATOM 267 H HG1 . THR A 1 17 ? -1.455 13.827 55.899 1.00 39.29 ? 17 THR A HG1 1 ATOM 268 H HG21 . THR A 1 17 ? -2.029 16.676 57.583 1.00 45.37 ? 17 THR A HG21 1 ATOM 269 H HG22 . THR A 1 17 ? -0.769 16.609 58.506 1.00 45.37 ? 17 THR A HG22 1 ATOM 270 H HG23 . THR A 1 17 ? -0.606 16.913 56.982 1.00 45.37 ? 17 THR A HG23 1 ATOM 271 N N . ASP A 1 18 ? 0.419 12.295 56.314 1.00 15.86 ? 18 ASP A N 1 ATOM 272 C CA . ASP A 1 18 ? 0.147 10.871 56.318 1.00 13.94 ? 18 ASP A CA 1 ATOM 273 C C . ASP A 1 18 ? 1.397 10.094 56.801 1.00 15.42 ? 18 ASP A C 1 ATOM 274 O O . ASP A 1 18 ? 2.514 10.283 56.280 1.00 15.75 ? 18 ASP A O 1 ATOM 275 C CB . ASP A 1 18 ? -0.239 10.377 54.916 1.00 13.97 ? 18 ASP A CB 1 ATOM 276 C CG . ASP A 1 18 ? -1.306 11.217 54.261 1.00 14.09 ? 18 ASP A CG 1 ATOM 277 O OD1 . ASP A 1 18 ? -2.149 11.782 55.011 1.00 16.17 ? 18 ASP A OD1 1 ATOM 278 O OD2 . ASP A 1 18 ? -1.308 11.280 52.989 1.00 14.93 ? 18 ASP A OD2 1 ATOM 279 H H . ASP A 1 18 ? 0.525 12.640 55.533 1.00 19.02 ? 18 ASP A H 1 ATOM 280 H HA . ASP A 1 18 ? -0.594 10.680 56.931 1.00 16.71 ? 18 ASP A HA 1 ATOM 281 H HB2 . ASP A 1 18 ? 0.547 10.397 54.348 1.00 16.75 ? 18 ASP A HB2 1 ATOM 282 H HB3 . ASP A 1 18 ? -0.574 9.469 54.983 1.00 16.75 ? 18 ASP A HB3 1 ATOM 283 N N . HIS A 1 19 ? 1.219 9.208 57.777 1.00 14.45 ? 19 HIS A N 1 ATOM 284 C CA . HIS A 1 19 ? 2.344 8.423 58.278 1.00 13.74 ? 19 HIS A CA 1 ATOM 285 C C . HIS A 1 19 ? 1.881 7.224 59.084 1.00 13.50 ? 19 HIS A C 1 ATOM 286 O O . HIS A 1 19 ? 0.714 7.131 59.458 1.00 14.34 ? 19 HIS A O 1 ATOM 287 C CB . HIS A 1 19 ? 3.325 9.267 59.108 1.00 15.03 ? 19 HIS A CB 1 ATOM 288 C CG . HIS A 1 19 ? 2.760 9.787 60.403 1.00 15.15 ? 19 HIS A CG 1 ATOM 289 N ND1 . HIS A 1 19 ? 1.886 10.851 60.444 1.00 19.01 ? 19 HIS A ND1 1 ATOM 290 C CD2 . HIS A 1 19 ? 2.991 9.436 61.690 1.00 16.56 ? 19 HIS A CD2 1 ATOM 291 C CE1 . HIS A 1 19 ? 1.589 11.127 61.703 1.00 19.27 ? 19 HIS A CE1 1 ATOM 292 N NE2 . HIS A 1 19 ? 2.249 10.288 62.480 1.00 18.45 ? 19 HIS A NE2 1 ATOM 293 H H . HIS A 1 19 ? 0.467 9.043 58.162 1.00 17.33 ? 19 HIS A H 1 ATOM 294 H HA . HIS A 1 19 ? 2.841 8.078 57.507 1.00 16.48 ? 19 HIS A HA 1 ATOM 295 H HB2 . HIS A 1 19 ? 4.099 8.722 59.322 1.00 18.02 ? 19 HIS A HB2 1 ATOM 296 H HB3 . HIS A 1 19 ? 3.601 10.032 58.579 1.00 18.02 ? 19 HIS A HB3 1 ATOM 297 H HD1 . HIS A 1 19 ? 1.584 11.273 59.758 1.00 22.80 ? 19 HIS A HD1 1 ATOM 298 H HD2 . HIS A 1 19 ? 3.550 8.755 61.985 1.00 19.86 ? 19 HIS A HD2 1 ATOM 299 H HE1 . HIS A 1 19 ? 1.006 11.793 61.991 1.00 23.11 ? 19 HIS A HE1 1 ATOM 300 N N . VAL A 1 20 ? 2.821 6.302 59.324 1.00 10.74 ? 20 VAL A N 1 ATOM 301 C CA . VAL A 1 20 ? 2.587 5.178 60.210 1.00 11.36 ? 20 VAL A CA 1 ATOM 302 C C . VAL A 1 20 ? 3.613 5.173 61.324 1.00 13.44 ? 20 VAL A C 1 ATOM 303 O O . VAL A 1 20 ? 4.807 5.302 61.066 1.00 13.08 ? 20 VAL A O 1 ATOM 304 C CB . VAL A 1 20 ? 2.680 3.831 59.455 1.00 11.96 ? 20 VAL A CB 1 ATOM 305 C CG1 . VAL A 1 20 ? 2.428 2.692 60.424 1.00 15.03 ? 20 VAL A CG1 1 ATOM 306 C CG2 . VAL A 1 20 ? 1.652 3.761 58.351 1.00 11.85 ? 20 VAL A CG2 1 ATOM 307 H H . VAL A 1 20 ? 3.608 6.314 58.978 1.00 12.88 ? 20 VAL A H 1 ATOM 308 H HA . VAL A 1 20 ? 1.694 5.252 60.607 1.00 13.62 ? 20 VAL A HA 1 ATOM 309 H HB . VAL A 1 20 ? 3.573 3.726 59.065 1.00 14.34 ? 20 VAL A HB 1 ATOM 310 H HG11 . VAL A 1 20 ? 2.487 1.860 59.949 1.00 18.03 ? 20 VAL A HG11 1 ATOM 311 H HG12 . VAL A 1 20 ? 3.090 2.722 61.119 1.00 18.03 ? 20 VAL A HG12 1 ATOM 312 H HG13 . VAL A 1 20 ? 1.551 2.793 60.801 1.00 18.03 ? 20 VAL A HG13 1 ATOM 313 H HG21 . VAL A 1 20 ? 1.734 2.916 57.902 1.00 14.20 ? 20 VAL A HG21 1 ATOM 314 H HG22 . VAL A 1 20 ? 0.776 3.844 58.735 1.00 14.20 ? 20 VAL A HG22 1 ATOM 315 H HG23 . VAL A 1 20 ? 1.809 4.478 57.733 1.00 14.20 ? 20 VAL A HG23 1 ATOM 316 N N . ASN A 1 21 ? 3.166 5.061 62.576 1.00 11.04 ? 21 ASN A N 1 ATOM 317 C CA . ASN A 1 21 ? 4.064 4.838 63.683 1.00 11.40 ? 21 ASN A CA 1 ATOM 318 C C . ASN A 1 21 ? 4.240 3.347 63.909 1.00 11.80 ? 21 ASN A C 1 ATOM 319 O O . ASN A 1 21 ? 3.262 2.568 63.971 1.00 12.75 ? 21 ASN A O 1 ATOM 320 C CB . ASN A 1 21 ? 3.509 5.500 64.956 1.00 13.12 ? 21 ASN A CB 1 ATOM 321 C CG . ASN A 1 21 ? 3.264 6.981 64.793 1.00 15.53 ? 21 ASN A CG 1 ATOM 322 O OD1 . ASN A 1 21 ? 4.040 7.714 64.171 1.00 17.27 ? 21 ASN A OD1 1 ATOM 323 N ND2 . ASN A 1 21 ? 2.159 7.454 65.380 1.00 17.62 ? 21 ASN A ND2 1 ATOM 324 H H . ASN A 1 21 ? 2.338 5.113 62.802 1.00 13.23 ? 21 ASN A H 1 ATOM 325 H HA . ASN A 1 21 ? 4.939 5.230 63.482 1.00 13.67 ? 21 ASN A HA 1 ATOM 326 H HB2 . ASN A 1 21 ? 2.665 5.080 65.187 1.00 15.74 ? 21 ASN A HB2 1 ATOM 327 H HB3 . ASN A 1 21 ? 4.146 5.379 65.677 1.00 15.74 ? 21 ASN A HB3 1 ATOM 328 H HD21 . ASN A 1 21 ? 1.939 8.406 65.314 1.00 21.13 ? 21 ASN A HD21 1 ATOM 329 H HD22 . ASN A 1 21 ? 1.570 6.847 65.875 1.00 21.13 ? 21 ASN A HD22 1 ATOM 330 N N . LEU A 1 22 ? 5.489 2.911 64.028 1.00 12.47 ? 22 LEU A N 1 ATOM 331 C CA . LEU A 1 22 ? 5.787 1.519 64.319 1.00 11.50 ? 22 LEU A CA 1 ATOM 332 C C . LEU A 1 22 ? 6.219 1.433 65.764 1.00 13.63 ? 22 LEU A C 1 ATOM 333 O O . LEU A 1 22 ? 7.090 2.188 66.197 1.00 15.98 ? 22 LEU A O 1 ATOM 334 C CB . LEU A 1 22 ? 6.877 0.984 63.393 1.00 11.46 ? 22 LEU A CB 1 ATOM 335 C CG . LEU A 1 22 ? 6.588 1.120 61.907 1.00 10.48 ? 22 LEU A CG 1 ATOM 336 C CD1 . LEU A 1 22 ? 7.748 0.540 61.074 1.00 12.94 ? 22 LEU A CD1 1 ATOM 337 C CD2 . LEU A 1 22 ? 5.317 0.399 61.557 1.00 15.65 ? 22 LEU A CD2 1 ATOM 338 H H . LEU A 1 22 ? 6.186 3.408 63.944 1.00 14.95 ? 22 LEU A H 1 ATOM 339 H HA . LEU A 1 22 ? 4.980 0.976 64.200 1.00 13.79 ? 22 LEU A HA 1 ATOM 340 H HB2 . LEU A 1 22 ? 7.700 1.464 63.576 1.00 13.73 ? 22 LEU A HB2 1 ATOM 341 H HB3 . LEU A 1 22 ? 7.004 0.040 63.580 1.00 13.73 ? 22 LEU A HB3 1 ATOM 342 H HG . LEU A 1 22 ? 6.484 2.058 61.681 1.00 12.57 ? 22 LEU A HG 1 ATOM 343 H HD11 . LEU A 1 22 ? 7.542 0.638 60.142 1.00 15.52 ? 22 LEU A HD11 1 ATOM 344 H HD12 . LEU A 1 22 ? 8.553 1.018 61.284 1.00 15.52 ? 22 LEU A HD12 1 ATOM 345 H HD13 . LEU A 1 22 ? 7.853 -0.390 61.291 1.00 15.52 ? 22 LEU A HD13 1 ATOM 346 H HD21 . LEU A 1 22 ? 5.152 0.497 60.616 1.00 18.77 ? 22 LEU A HD21 1 ATOM 347 H HD22 . LEU A 1 22 ? 5.415 -0.530 61.778 1.00 18.77 ? 22 LEU A HD22 1 ATOM 348 H HD23 . LEU A 1 22 ? 4.593 0.781 62.058 1.00 18.77 ? 22 LEU A HD23 1 ATOM 349 N N . ILE A 1 23 ? 5.591 0.532 66.511 1.00 13.79 ? 23 ILE A N 1 ATOM 350 C CA . ILE A 1 23 ? 5.772 0.442 67.949 1.00 14.62 ? 23 ILE A CA 1 ATOM 351 C C . ILE A 1 23 ? 6.614 -0.761 68.309 1.00 14.21 ? 23 ILE A C 1 ATOM 352 O O . ILE A 1 23 ? 6.333 -1.912 67.935 1.00 17.32 ? 23 ILE A O 1 ATOM 353 C CB . ILE A 1 23 ? 4.411 0.290 68.646 1.00 20.65 ? 23 ILE A CB 1 ATOM 354 C CG1 . ILE A 1 23 ? 3.447 1.409 68.232 1.00 23.95 ? 23 ILE A CG1 1 ATOM 355 C CG2 . ILE A 1 23 ? 4.615 0.225 70.171 1.00 20.05 ? 23 ILE A CG2 1 ATOM 356 C CD1 . ILE A 1 23 ? 4.021 2.806 68.303 1.00 31.35 ? 23 ILE A CD1 1 ATOM 357 H H . ILE A 1 23 ? 5.042 -0.051 66.197 1.00 16.54 ? 23 ILE A H 1 ATOM 358 H HA . ILE A 1 23 ? 6.212 1.251 68.283 1.00 17.53 ? 23 ILE A HA 1 ATOM 359 H HB . ILE A 1 23 ? 4.025 -0.553 68.362 1.00 24.77 ? 23 ILE A HB 1 ATOM 360 H HG12 . ILE A 1 23 ? 3.169 1.253 67.316 1.00 28.72 ? 23 ILE A HG12 1 ATOM 361 H HG13 . ILE A 1 23 ? 2.674 1.381 68.817 1.00 28.72 ? 23 ILE A HG13 1 ATOM 362 H HG21 . ILE A 1 23 ? 3.759 0.130 70.596 1.00 24.05 ? 23 ILE A HG21 1 ATOM 363 H HG22 . ILE A 1 23 ? 5.170 -0.530 70.379 1.00 24.05 ? 23 ILE A HG22 1 ATOM 364 H HG23 . ILE A 1 23 ? 5.038 1.035 70.464 1.00 24.05 ? 23 ILE A HG23 1 ATOM 365 H HD11 . ILE A 1 23 ? 3.349 3.434 68.027 1.00 37.61 ? 23 ILE A HD11 1 ATOM 366 H HD12 . ILE A 1 23 ? 4.290 2.988 69.206 1.00 37.61 ? 23 ILE A HD12 1 ATOM 367 H HD13 . ILE A 1 23 ? 4.781 2.861 67.718 1.00 37.61 ? 23 ILE A HD13 1 ATOM 368 N N . THR A 1 24 ? 7.696 -0.519 69.051 1.00 20.05 ? 24 THR A N 1 ATOM 369 C CA . THR A 1 24 ? 8.558 -1.611 69.481 1.00 18.80 ? 24 THR A CA 1 ATOM 370 C C . THR A 1 24 ? 8.772 -1.509 70.994 1.00 20.67 ? 24 THR A C 1 ATOM 371 O O . THR A 1 24 ? 8.864 -0.421 71.517 1.00 21.80 ? 24 THR A O 1 ATOM 372 C CB . THR A 1 24 ? 9.909 -1.571 68.741 1.00 22.08 ? 24 THR A CB 1 ATOM 373 O OG1 . THR A 1 24 ? 10.788 -2.595 69.239 1.00 20.38 ? 24 THR A OG1 1 ATOM 374 C CG2 . THR A 1 24 ? 10.578 -0.235 68.931 1.00 23.53 ? 24 THR A CG2 1 ATOM 375 H H . THR A 1 24 ? 7.948 0.260 69.314 1.00 24.05 ? 24 THR A H 1 ATOM 376 H HA . THR A 1 24 ? 8.122 -2.468 69.287 1.00 22.54 ? 24 THR A HA 1 ATOM 377 H HB . THR A 1 24 ? 9.761 -1.707 67.792 1.00 26.49 ? 24 THR A HB 1 ATOM 378 H HG1 . THR A 1 24 ? 10.449 -3.334 69.127 1.00 24.44 ? 24 THR A HG1 1 ATOM 379 H HG21 . THR A 1 24 ? 11.418 -0.220 68.466 1.00 28.23 ? 24 THR A HG21 1 ATOM 380 H HG22 . THR A 1 24 ? 10.018 0.464 68.585 1.00 28.23 ? 24 THR A HG22 1 ATOM 381 H HG23 . THR A 1 24 ? 10.735 -0.077 69.864 1.00 28.23 ? 24 THR A HG23 1 ATOM 382 N N . PRO A 1 25 ? 8.895 -2.655 71.676 1.00 28.63 ? 25 PRO A N 1 ATOM 383 C CA . PRO A 1 25 ? 9.187 -2.654 73.113 1.00 40.26 ? 25 PRO A CA 1 ATOM 384 C C . PRO A 1 25 ? 10.671 -2.456 73.439 1.00 39.14 ? 25 PRO A C 1 ATOM 385 O O . PRO A 1 25 ? 11.036 -2.426 74.609 1.00 35.41 ? 25 PRO A O 1 ATOM 386 C CB . PRO A 1 25 ? 8.746 -4.048 73.551 1.00 37.63 ? 25 PRO A CB 1 ATOM 387 C CG . PRO A 1 25 ? 8.994 -4.909 72.356 1.00 35.53 ? 25 PRO A CG 1 ATOM 388 C CD . PRO A 1 25 ? 8.740 -4.017 71.139 1.00 28.45 ? 25 PRO A CD 1 ATOM 389 H HA . PRO A 1 25 ? 8.651 -1.977 73.577 1.00 48.30 ? 25 PRO A HA 1 ATOM 390 H HB2 . PRO A 1 25 ? 9.282 -4.342 74.304 1.00 45.14 ? 25 PRO A HB2 1 ATOM 391 H HB3 . PRO A 1 25 ? 7.804 -4.038 73.779 1.00 45.14 ? 25 PRO A HB3 1 ATOM 392 H HG2 . PRO A 1 25 ? 9.912 -5.220 72.365 1.00 42.62 ? 25 PRO A HG2 1 ATOM 393 H HG3 . PRO A 1 25 ? 8.379 -5.659 72.364 1.00 42.62 ? 25 PRO A HG3 1 ATOM 394 H HD2 . PRO A 1 25 ? 9.402 -4.187 70.451 1.00 34.13 ? 25 PRO A HD2 1 ATOM 395 H HD3 . PRO A 1 25 ? 7.838 -4.148 70.806 1.00 34.13 ? 25 PRO A HD3 1 ATOM 396 N N . LEU A 1 26 ? 11.520 -2.338 72.426 1.00 31.61 ? 26 LEU A N 1 ATOM 397 C CA . LEU A 1 26 ? 12.952 -2.163 72.664 1.00 25.18 ? 26 LEU A CA 1 ATOM 398 C C . LEU A 1 26 ? 13.236 -0.987 73.591 1.00 31.08 ? 26 LEU A C 1 ATOM 399 O O . LEU A 1 26 ? 12.817 0.134 73.318 1.00 39.39 ? 26 LEU A O 1 ATOM 400 C CB . LEU A 1 26 ? 13.649 -1.917 71.324 1.00 25.63 ? 26 LEU A CB 1 ATOM 401 C CG . LEU A 1 26 ? 15.156 -1.663 71.408 1.00 26.30 ? 26 LEU A CG 1 ATOM 402 C CD1 . LEU A 1 26 ? 15.890 -2.977 71.658 1.00 25.60 ? 26 LEU A CD1 1 ATOM 403 C CD2 . LEU A 1 26 ? 15.641 -0.968 70.153 1.00 29.95 ? 26 LEU A CD2 1 ATOM 404 H H . LEU A 1 26 ? 11.297 -2.355 71.595 1.00 37.92 ? 26 LEU A H 1 ATOM 405 H HA . LEU A 1 26 ? 13.322 -2.977 73.066 1.00 30.21 ? 26 LEU A HA 1 ATOM 406 H HB2 . LEU A 1 26 ? 13.515 -2.695 70.760 1.00 30.75 ? 26 LEU A HB2 1 ATOM 407 H HB3 . LEU A 1 26 ? 13.246 -1.140 70.906 1.00 30.75 ? 26 LEU A HB3 1 ATOM 408 H HG . LEU A 1 26 ? 15.334 -1.077 72.160 1.00 31.55 ? 26 LEU A HG 1 ATOM 409 H HD11 . LEU A 1 26 ? 16.833 -2.802 71.708 1.00 30.71 ? 26 LEU A HD11 1 ATOM 410 H HD12 . LEU A 1 26 ? 15.582 -3.354 72.485 1.00 30.71 ? 26 LEU A HD12 1 ATOM 411 H HD13 . LEU A 1 26 ? 15.706 -3.579 70.933 1.00 30.71 ? 26 LEU A HD13 1 ATOM 412 H HD21 . LEU A 1 26 ? 16.586 -0.818 70.224 1.00 35.93 ? 26 LEU A HD21 1 ATOM 413 H HD22 . LEU A 1 26 ? 15.453 -1.526 69.394 1.00 35.93 ? 26 LEU A HD22 1 ATOM 414 H HD23 . LEU A 1 26 ? 15.181 -0.129 70.064 1.00 35.93 ? 26 LEU A HD23 1 ATOM 415 N N . GLU A 1 27 ? 13.978 -1.229 74.667 1.00 33.74 ? 27 GLU A N 1 ATOM 416 C CA . GLU A 1 27 ? 14.267 -0.163 75.633 1.00 39.50 ? 27 GLU A CA 1 ATOM 417 C C . GLU A 1 27 ? 15.763 0.047 75.905 1.00 49.57 ? 27 GLU A C 1 ATOM 418 O O . GLU A 1 27 ? 16.145 0.997 76.599 1.00 49.23 ? 27 GLU A O 1 ATOM 419 C CB . GLU A 1 27 ? 13.533 -0.445 76.953 1.00 46.45 ? 27 GLU A CB 1 ATOM 420 C CG . GLU A 1 27 ? 13.646 -1.896 77.416 1.00 52.21 ? 27 GLU A CG 1 ATOM 421 C CD . GLU A 1 27 ? 12.843 -2.184 78.686 1.00 75.06 ? 27 GLU A CD 1 ATOM 422 O OE1 . GLU A 1 27 ? 12.598 -1.236 79.465 1.00 77.55 ? 27 GLU A OE1 1 ATOM 423 O OE2 . GLU A 1 27 ? 12.465 -3.361 78.905 1.00 74.28 ? 27 GLU A OE2 1 ATOM 424 H H . GLU A 1 27 ? 14.324 -1.992 74.862 1.00 40.48 ? 27 GLU A H 1 ATOM 425 H HA . GLU A 1 27 ? 13.915 0.679 75.277 1.00 47.38 ? 27 GLU A HA 1 ATOM 426 H HB2 . GLU A 1 27 ? 13.909 0.118 77.648 1.00 55.73 ? 27 GLU A HB2 1 ATOM 427 H HB3 . GLU A 1 27 ? 12.592 -0.242 76.838 1.00 55.73 ? 27 GLU A HB3 1 ATOM 428 H HG2 . GLU A 1 27 ? 13.313 -2.477 76.714 1.00 62.64 ? 27 GLU A HG2 1 ATOM 429 H HG3 . GLU A 1 27 ? 14.577 -2.097 77.599 1.00 62.64 ? 27 GLU A HG3 1 ATOM 430 N N . LYS A 1 28 ? 16.599 -0.834 75.360 1.00 37.27 ? 28 LYS A N 1 ATOM 431 C CA . LYS A 1 28 ? 18.050 -0.744 75.534 1.00 28.44 ? 28 LYS A CA 1 ATOM 432 C C . LYS A 1 28 ? 18.709 -0.197 74.274 1.00 29.16 ? 28 LYS A C 1 ATOM 433 O O . LYS A 1 28 ? 18.245 -0.470 73.179 1.00 26.35 ? 28 LYS A O 1 ATOM 434 C CB . LYS A 1 28 ? 18.604 -2.128 75.841 1.00 34.02 ? 28 LYS A CB 1 ATOM 435 C CG . LYS A 1 28 ? 18.038 -2.692 77.153 1.00 55.43 ? 28 LYS A CG 1 ATOM 436 C CD . LYS A 1 28 ? 18.610 -4.055 77.531 1.00 52.94 ? 28 LYS A CD 1 ATOM 437 C CE . LYS A 1 28 ? 18.264 -4.402 78.986 1.00 58.06 ? 28 LYS A CE 1 ATOM 438 N NZ . LYS A 1 28 ? 18.832 -5.716 79.437 1.00 60.63 ? 28 LYS A NZ 1 ATOM 439 H H . LYS A 1 28 ? 16.349 -1.502 74.879 1.00 44.72 ? 28 LYS A H 1 ATOM 440 H HA . LYS A 1 28 ? 18.258 -0.148 76.283 1.00 34.11 ? 28 LYS A HA 1 ATOM 441 H HB2 . LYS A 1 28 ? 18.365 -2.734 75.123 1.00 40.81 ? 28 LYS A HB2 1 ATOM 442 H HB3 . LYS A 1 28 ? 19.569 -2.074 75.926 1.00 40.81 ? 28 LYS A HB3 1 ATOM 443 H HG2 . LYS A 1 28 ? 18.242 -2.075 77.873 1.00 66.51 ? 28 LYS A HG2 1 ATOM 444 H HG3 . LYS A 1 28 ? 17.077 -2.788 77.064 1.00 66.51 ? 28 LYS A HG3 1 ATOM 445 H HD2 . LYS A 1 28 ? 18.229 -4.736 76.954 1.00 63.51 ? 28 LYS A HD2 1 ATOM 446 H HD3 . LYS A 1 28 ? 19.575 -4.037 77.441 1.00 63.51 ? 28 LYS A HD3 1 ATOM 447 H HE2 . LYS A 1 28 ? 18.618 -3.710 79.566 1.00 69.66 ? 28 LYS A HE2 1 ATOM 448 H HE3 . LYS A 1 28 ? 17.299 -4.447 79.077 1.00 69.66 ? 28 LYS A HE3 1 ATOM 449 H HZ1 . LYS A 1 28 ? 18.586 -5.883 80.350 1.00 72.74 ? 28 LYS A HZ1 1 ATOM 450 H HZ2 . LYS A 1 28 ? 18.491 -6.426 78.888 1.00 72.74 ? 28 LYS A HZ2 1 ATOM 451 H HZ3 . LYS A 1 28 ? 19.789 -5.700 79.369 1.00 72.74 ? 28 LYS A HZ3 1 ATOM 452 N N . PRO A 1 29 ? 19.788 0.578 74.429 1.00 28.83 ? 29 PRO A N 1 ATOM 453 C CA . PRO A 1 29 ? 20.470 1.107 73.240 1.00 23.71 ? 29 PRO A CA 1 ATOM 454 C C . PRO A 1 29 ? 20.992 -0.019 72.343 1.00 23.00 ? 29 PRO A C 1 ATOM 455 O O . PRO A 1 29 ? 21.327 -1.114 72.807 1.00 23.82 ? 29 PRO A O 1 ATOM 456 C CB . PRO A 1 29 ? 21.608 1.938 73.831 1.00 23.17 ? 29 PRO A CB 1 ATOM 457 C CG . PRO A 1 29 ? 21.110 2.309 75.230 1.00 32.94 ? 29 PRO A CG 1 ATOM 458 C CD . PRO A 1 29 ? 20.383 1.087 75.679 1.00 32.49 ? 29 PRO A CD 1 ATOM 459 H HA . PRO A 1 29 ? 19.870 1.688 72.727 1.00 28.43 ? 29 PRO A HA 1 ATOM 460 H HB2 . PRO A 1 29 ? 22.416 1.403 73.881 1.00 27.79 ? 29 PRO A HB2 1 ATOM 461 H HB3 . PRO A 1 29 ? 21.751 2.733 73.293 1.00 27.79 ? 29 PRO A HB3 1 ATOM 462 H HG2 . PRO A 1 29 ? 21.864 2.497 75.811 1.00 39.52 ? 29 PRO A HG2 1 ATOM 463 H HG3 . PRO A 1 29 ? 20.512 3.070 75.178 1.00 39.52 ? 29 PRO A HG3 1 ATOM 464 H HD2 . PRO A 1 29 ? 21.004 0.439 76.048 1.00 38.98 ? 29 PRO A HD2 1 ATOM 465 H HD3 . PRO A 1 29 ? 19.689 1.320 76.315 1.00 38.98 ? 29 PRO A HD3 1 ATOM 466 N N . LEU A 1 30 ? 21.037 0.269 71.043 1.00 16.90 ? 30 LEU A N 1 ATOM 467 C CA . LEU A 1 30 ? 21.373 -0.734 70.053 1.00 17.35 ? 30 LEU A CA 1 ATOM 468 C C . LEU A 1 30 ? 22.811 -0.565 69.663 1.00 15.36 ? 30 LEU A C 1 ATOM 469 O O . LEU A 1 30 ? 23.217 0.551 69.314 1.00 17.24 ? 30 LEU A O 1 ATOM 470 C CB . LEU A 1 30 ? 20.582 -0.521 68.765 1.00 20.32 ? 30 LEU A CB 1 ATOM 471 C CG . LEU A 1 30 ? 19.115 -0.883 68.734 1.00 23.54 ? 30 LEU A CG 1 ATOM 472 C CD1 . LEU A 1 30 ? 18.577 -0.489 67.369 1.00 24.05 ? 30 LEU A CD1 1 ATOM 473 C CD2 . LEU A 1 30 ? 19.010 -2.365 69.003 1.00 26.82 ? 30 LEU A CD2 1 ATOM 474 H H . LEU A 1 30 ? 20.875 1.046 70.713 1.00 20.27 ? 30 LEU A H 1 ATOM 475 H HA . LEU A 1 30 ? 21.221 -1.638 70.398 1.00 20.80 ? 30 LEU A HA 1 ATOM 476 H HB2 . LEU A 1 30 ? 20.641 0.419 68.536 1.00 24.37 ? 30 LEU A HB2 1 ATOM 477 H HB3 . LEU A 1 30 ? 21.011 -1.041 68.068 1.00 24.37 ? 30 LEU A HB3 1 ATOM 478 H HG . LEU A 1 30 ? 18.634 -0.396 69.422 1.00 28.23 ? 30 LEU A HG 1 ATOM 479 H HD11 . LEU A 1 30 ? 17.644 -0.710 67.325 1.00 28.84 ? 30 LEU A HD11 1 ATOM 480 H HD12 . LEU A 1 30 ? 18.697 0.456 67.248 1.00 28.84 ? 30 LEU A HD12 1 ATOM 481 H HD13 . LEU A 1 30 ? 19.060 -0.970 66.693 1.00 28.84 ? 30 LEU A HD13 1 ATOM 482 H HD21 . LEU A 1 30 ? 18.085 -2.620 68.988 1.00 32.18 ? 30 LEU A HD21 1 ATOM 483 H HD22 . LEU A 1 30 ? 19.492 -2.840 68.322 1.00 32.18 ? 30 LEU A HD22 1 ATOM 484 H HD23 . LEU A 1 30 ? 19.389 -2.553 69.865 1.00 32.18 ? 30 LEU A HD23 1 ATOM 485 N N . GLN A 1 31 ? 23.518 -1.679 69.704 1.00 14.61 ? 31 GLN A N 1 ATOM 486 C CA . GLN A 1 31 ? 24.869 -1.746 69.203 1.00 14.51 ? 31 GLN A CA 1 ATOM 487 C C . GLN A 1 31 ? 24.916 -2.363 67.810 1.00 13.81 ? 31 GLN A C 1 ATOM 488 O O . GLN A 1 31 ? 25.819 -2.049 67.043 1.00 15.95 ? 31 GLN A O 1 ATOM 489 C CB . GLN A 1 31 ? 25.741 -2.575 70.131 1.00 19.97 ? 31 GLN A CB 1 ATOM 490 C CG . GLN A 1 31 ? 25.606 -2.147 71.592 1.00 34.73 ? 31 GLN A CG 1 ATOM 491 C CD . GLN A 1 31 ? 26.754 -2.635 72.454 1.00 45.52 ? 31 GLN A CD 1 ATOM 492 O OE1 . GLN A 1 31 ? 27.920 -2.425 72.124 1.00 46.39 ? 31 GLN A OE1 1 ATOM 493 N NE2 . GLN A 1 31 ? 26.427 -3.281 73.573 1.00 52.23 ? 31 GLN A NE2 1 ATOM 494 H H . GLN A 1 31 ? 23.228 -2.422 70.024 1.00 17.52 ? 31 GLN A H 1 ATOM 495 H HA . GLN A 1 31 ? 25.243 -0.841 69.153 1.00 17.41 ? 31 GLN A HA 1 ATOM 496 H HB2 . GLN A 1 31 ? 25.478 -3.507 70.065 1.00 23.95 ? 31 GLN A HB2 1 ATOM 497 H HB3 . GLN A 1 31 ? 26.669 -2.471 69.871 1.00 23.95 ? 31 GLN A HB3 1 ATOM 498 H HG2 . GLN A 1 31 ? 25.588 -1.178 71.637 1.00 41.66 ? 31 GLN A HG2 1 ATOM 499 H HG3 . GLN A 1 31 ? 24.783 -2.511 71.953 1.00 41.66 ? 31 GLN A HG3 1 ATOM 500 H HE21 . GLN A 1 31 ? 27.043 -3.577 74.094 1.00 62.67 ? 31 GLN A HE21 1 ATOM 501 H HE22 . GLN A 1 31 ? 25.599 -3.402 73.773 1.00 62.67 ? 31 GLN A HE22 1 ATOM 502 N N . ASN A 1 32 ? 23.949 -3.220 67.482 1.00 10.89 ? 32 ASN A N 1 ATOM 503 C CA . ASN A 1 32 ? 23.902 -3.936 66.208 1.00 10.43 ? 32 ASN A CA 1 ATOM 504 C C . ASN A 1 32 ? 22.463 -3.926 65.748 1.00 9.90 ? 32 ASN A C 1 ATOM 505 O O . ASN A 1 32 ? 21.550 -4.077 66.567 1.00 10.93 ? 32 ASN A O 1 ATOM 506 C CB . ASN A 1 32 ? 24.279 -5.423 66.362 1.00 10.44 ? 32 ASN A CB 1 ATOM 507 C CG . ASN A 1 32 ? 25.688 -5.659 66.929 1.00 13.15 ? 32 ASN A CG 1 ATOM 508 O OD1 . ASN A 1 32 ? 26.636 -4.992 66.512 1.00 14.86 ? 32 ASN A OD1 1 ATOM 509 N ND2 . ASN A 1 32 ? 25.810 -6.628 67.839 1.00 17.46 ? 32 ASN A ND2 1 ATOM 510 H H . ASN A 1 32 ? 23.288 -3.408 67.999 1.00 13.05 ? 32 ASN A H 1 ATOM 511 H HA . ASN A 1 32 ? 24.474 -3.508 65.537 1.00 12.50 ? 32 ASN A HA 1 ATOM 512 H HB2 . ASN A 1 32 ? 23.645 -5.844 66.963 1.00 12.52 ? 32 ASN A HB2 1 ATOM 513 H HB3 . ASN A 1 32 ? 24.236 -5.847 65.491 1.00 12.52 ? 32 ASN A HB3 1 ATOM 514 N N . PHE A 1 33 ? 22.217 -3.773 64.459 1.00 8.62 ? 33 PHE A N 1 ATOM 515 C CA . PHE A 1 33 ? 20.879 -4.016 63.923 1.00 7.67 ? 33 PHE A CA 1 ATOM 516 C C . PHE A 1 33 ? 20.942 -4.397 62.466 1.00 5.65 ? 33 PHE A C 1 ATOM 517 O O . PHE A 1 33 ? 21.916 -4.132 61.769 1.00 7.03 ? 33 PHE A O 1 ATOM 518 C CB . PHE A 1 33 ? 19.953 -2.813 64.113 1.00 8.60 ? 33 PHE A CB 1 ATOM 519 C CG . PHE A 1 33 ? 20.268 -1.644 63.234 1.00 8.80 ? 33 PHE A CG 1 ATOM 520 C CD1 . PHE A 1 33 ? 19.725 -1.537 61.946 1.00 10.85 ? 33 PHE A CD1 1 ATOM 521 C CD2 . PHE A 1 33 ? 21.077 -0.648 63.683 1.00 10.36 ? 33 PHE A CD2 1 ATOM 522 C CE1 . PHE A 1 33 ? 20.039 -0.447 61.128 1.00 12.70 ? 33 PHE A CE1 1 ATOM 523 C CE2 . PHE A 1 33 ? 21.395 0.440 62.854 1.00 10.13 ? 33 PHE A CE2 1 ATOM 524 C CZ . PHE A 1 33 ? 20.854 0.529 61.589 1.00 9.74 ? 33 PHE A CZ 1 ATOM 525 H H . PHE A 1 33 ? 22.798 -3.532 63.873 1.00 10.33 ? 33 PHE A H 1 ATOM 526 H HA . PHE A 1 33 ? 20.484 -4.770 64.408 1.00 9.19 ? 33 PHE A HA 1 ATOM 527 H HB2 . PHE A 1 33 ? 19.043 -3.089 63.921 1.00 10.31 ? 33 PHE A HB2 1 ATOM 528 H HB3 . PHE A 1 33 ? 20.017 -2.514 65.034 1.00 10.31 ? 33 PHE A HB3 1 ATOM 529 H HD1 . PHE A 1 33 ? 19.168 -2.209 61.624 1.00 13.01 ? 33 PHE A HD1 1 ATOM 530 H HD2 . PHE A 1 33 ? 21.450 -0.705 64.533 1.00 12.42 ? 33 PHE A HD2 1 ATOM 531 H HE1 . PHE A 1 33 ? 19.676 -0.387 60.274 1.00 15.23 ? 33 PHE A HE1 1 ATOM 532 H HE2 . PHE A 1 33 ? 21.951 1.116 63.169 1.00 12.14 ? 33 PHE A HE2 1 ATOM 533 H HZ . PHE A 1 33 ? 21.057 1.257 61.047 1.00 11.68 ? 33 PHE A HZ 1 ATOM 534 N N . THR A 1 34 ? 19.841 -4.979 62.002 1.00 6.89 ? 34 THR A N 1 ATOM 535 C CA . THR A 1 34 ? 19.537 -5.159 60.590 1.00 5.87 ? 34 THR A CA 1 ATOM 536 C C . THR A 1 34 ? 18.101 -4.744 60.376 1.00 7.29 ? 34 THR A C 1 ATOM 537 O O . THR A 1 34 ? 17.212 -5.111 61.154 1.00 8.25 ? 34 THR A O 1 ATOM 538 C CB . THR A 1 34 ? 19.707 -6.604 60.135 1.00 6.58 ? 34 THR A CB 1 ATOM 539 O OG1 . THR A 1 34 ? 21.038 -7.060 60.419 1.00 7.71 ? 34 THR A OG1 1 ATOM 540 C CG2 . THR A 1 34 ? 19.480 -6.739 58.630 1.00 8.44 ? 34 THR A CG2 1 ATOM 541 H H . THR A 1 34 ? 19.226 -5.293 62.515 1.00 8.26 ? 34 THR A H 1 ATOM 542 H HA . THR A 1 34 ? 20.117 -4.585 60.048 1.00 7.04 ? 34 THR A HA 1 ATOM 543 H HB . THR A 1 34 ? 19.066 -7.168 60.595 1.00 7.88 ? 34 THR A HB 1 ATOM 544 H HG1 . THR A 1 34 ? 21.183 -7.017 61.225 1.00 9.24 ? 34 THR A HG1 1 ATOM 545 H HG21 . THR A 1 34 ? 19.591 -7.654 58.362 1.00 10.11 ? 34 THR A HG21 1 ATOM 546 H HG22 . THR A 1 34 ? 18.591 -6.455 58.406 1.00 10.11 ? 34 THR A HG22 1 ATOM 547 H HG23 . THR A 1 34 ? 20.111 -6.195 58.153 1.00 10.11 ? 34 THR A HG23 1 ATOM 548 N N . LEU A 1 35 ? 17.851 -4.038 59.279 1.00 6.00 ? 35 LEU A N 1 ATOM 549 C CA . LEU A 1 35 ? 16.503 -3.617 58.892 1.00 6.90 ? 35 LEU A CA 1 ATOM 550 C C . LEU A 1 35 ? 16.270 -3.997 57.439 1.00 7.23 ? 35 LEU A C 1 ATOM 551 O O . LEU A 1 35 ? 17.084 -3.673 56.592 1.00 7.70 ? 35 LEU A O 1 ATOM 552 C CB . LEU A 1 35 ? 16.407 -2.115 59.061 1.00 8.99 ? 35 LEU A CB 1 ATOM 553 C CG . LEU A 1 35 ? 15.186 -1.460 58.445 1.00 9.09 ? 35 LEU A CG 1 ATOM 554 C CD1 . LEU A 1 35 ? 13.915 -1.875 59.212 1.00 11.04 ? 35 LEU A CD1 1 ATOM 555 C CD2 . LEU A 1 35 ? 15.323 0.081 58.464 1.00 11.95 ? 35 LEU A CD2 1 ATOM 556 H H . LEU A 1 35 ? 18.460 -3.784 58.727 1.00 7.19 ? 35 LEU A H 1 ATOM 557 H HA . LEU A 1 35 ? 15.832 -4.054 59.456 1.00 8.27 ? 35 LEU A HA 1 ATOM 558 H HB2 . LEU A 1 35 ? 16.397 -1.914 60.009 1.00 10.78 ? 35 LEU A HB2 1 ATOM 559 H HB3 . LEU A 1 35 ? 17.189 -1.711 58.653 1.00 10.78 ? 35 LEU A HB3 1 ATOM 560 H HG . LEU A 1 35 ? 15.096 -1.748 57.523 1.00 10.90 ? 35 LEU A HG 1 ATOM 561 H HD11 . LEU A 1 35 ? 13.154 -1.451 58.808 1.00 13.23 ? 35 LEU A HD11 1 ATOM 562 H HD12 . LEU A 1 35 ? 13.820 -2.829 59.167 1.00 13.23 ? 35 LEU A HD12 1 ATOM 563 H HD13 . LEU A 1 35 ? 13.997 -1.597 60.127 1.00 13.23 ? 35 LEU A HD13 1 ATOM 564 H HD21 . LEU A 1 35 ? 14.538 0.469 58.070 1.00 14.33 ? 35 LEU A HD21 1 ATOM 565 H HD22 . LEU A 1 35 ? 15.412 0.375 59.374 1.00 14.33 ? 35 LEU A HD22 1 ATOM 566 H HD23 . LEU A 1 35 ? 16.101 0.332 57.961 1.00 14.33 ? 35 LEU A HD23 1 ATOM 567 N N . CYS A 1 36 ? 15.208 -4.713 57.139 1.00 7.77 ? 36 CYS A N 1 ATOM 568 C CA . CYS A 1 36 ? 14.843 -5.098 55.766 1.00 7.87 ? 36 CYS A CA 1 ATOM 569 C C . CYS A 1 36 ? 13.394 -4.663 55.516 1.00 9.45 ? 36 CYS A C 1 ATOM 570 O O . CYS A 1 36 ? 12.578 -4.657 56.426 1.00 8.95 ? 36 CYS A O 1 ATOM 571 C CB . CYS A 1 36 ? 14.908 -6.631 55.544 1.00 14.18 ? 36 CYS A CB 1 ATOM 572 S SG . CYS A 1 36 ? 16.539 -7.410 55.665 1.00 14.40 ? 36 CYS A SG 1 ATOM 573 H H . CYS A 1 36 ? 14.653 -5.004 57.728 1.00 9.31 ? 36 CYS A H 1 ATOM 574 H HA . CYS A 1 36 ? 15.431 -4.652 55.121 1.00 9.43 ? 36 CYS A HA 1 ATOM 575 H HB2 . CYS A 1 36 ? 14.339 -7.056 56.205 1.00 17.00 ? 36 CYS A HB2 1 ATOM 576 H HB3 . CYS A 1 36 ? 14.565 -6.822 54.657 1.00 17.00 ? 36 CYS A HB3 1 ATOM 577 N N . PHE A 1 37 ? 13.098 -4.268 54.291 1.00 8.11 ? 37 PHE A N 1 ATOM 578 C CA . PHE A 1 37 ? 11.729 -3.992 53.860 1.00 6.73 ? 37 PHE A CA 1 ATOM 579 C C . PHE A 1 37 ? 11.695 -3.921 52.357 1.00 7.63 ? 37 PHE A C 1 ATOM 580 O O . PHE A 1 37 ? 12.739 -3.840 51.686 1.00 8.15 ? 37 PHE A O 1 ATOM 581 C CB . PHE A 1 37 ? 11.173 -2.694 54.458 1.00 7.92 ? 37 PHE A CB 1 ATOM 582 C CG . PHE A 1 37 ? 12.023 -1.496 54.186 1.00 8.42 ? 37 PHE A CG 1 ATOM 583 C CD1 . PHE A 1 37 ? 11.855 -0.730 53.049 1.00 9.92 ? 37 PHE A CD1 1 ATOM 584 C CD2 . PHE A 1 37 ? 13.056 -1.182 55.048 1.00 11.08 ? 37 PHE A CD2 1 ATOM 585 C CE1 . PHE A 1 37 ? 12.664 0.361 52.816 1.00 12.56 ? 37 PHE A CE1 1 ATOM 586 C CE2 . PHE A 1 37 ? 13.894 -0.063 54.795 1.00 12.32 ? 37 PHE A CE2 1 ATOM 587 C CZ . PHE A 1 37 ? 13.677 0.695 53.682 1.00 11.71 ? 37 PHE A CZ 1 ATOM 588 H H . PHE A 1 37 ? 13.684 -4.148 53.672 1.00 9.72 ? 37 PHE A H 1 ATOM 589 H HA . PHE A 1 37 ? 11.150 -4.730 54.143 1.00 8.07 ? 37 PHE A HA 1 ATOM 590 H HB2 . PHE A 1 37 ? 10.295 -2.526 54.081 1.00 9.49 ? 37 PHE A HB2 1 ATOM 591 H HB3 . PHE A 1 37 ? 11.103 -2.796 55.420 1.00 9.49 ? 37 PHE A HB3 1 ATOM 592 H HD1 . PHE A 1 37 ? 11.168 -0.931 52.455 1.00 11.89 ? 37 PHE A HD1 1 ATOM 593 H HD2 . PHE A 1 37 ? 13.192 -1.698 55.810 1.00 13.28 ? 37 PHE A HD2 1 ATOM 594 H HE1 . PHE A 1 37 ? 12.525 0.878 52.055 1.00 15.06 ? 37 PHE A HE1 1 ATOM 595 H HE2 . PHE A 1 37 ? 14.576 0.158 55.389 1.00 14.78 ? 37 PHE A HE2 1 ATOM 596 H HZ . PHE A 1 37 ? 14.220 1.429 53.504 1.00 14.04 ? 37 PHE A HZ 1 ATOM 597 N N . ARG A 1 38 ? 10.471 -3.961 51.819 1.00 7.90 ? 38 ARG A N 1 ATOM 598 C CA . ARG A 1 38 ? 10.244 -3.897 50.389 1.00 7.86 ? 38 ARG A CA 1 ATOM 599 C C . ARG A 1 38 ? 9.521 -2.595 50.115 1.00 7.93 ? 38 ARG A C 1 ATOM 600 O O . ARG A 1 38 ? 8.630 -2.202 50.864 1.00 11.01 ? 38 ARG A O 1 ATOM 601 C CB . ARG A 1 38 ? 9.365 -5.070 49.948 1.00 12.35 ? 38 ARG A CB 1 ATOM 602 C CG . ARG A 1 38 ? 9.888 -5.898 48.816 1.00 23.44 ? 38 ARG A CG 1 ATOM 603 C CD . ARG A 1 38 ? 8.944 -7.116 48.589 1.00 16.58 ? 38 ARG A CD 1 ATOM 604 N NE . ARG A 1 38 ? 9.275 -8.253 49.441 1.00 15.22 ? 38 ARG A NE 1 ATOM 605 C CZ . ARG A 1 38 ? 10.258 -9.106 49.193 1.00 14.01 ? 38 ARG A CZ 1 ATOM 606 N NH1 . ARG A 1 38 ? 10.992 -8.983 48.105 1.00 14.69 ? 38 ARG A NH1 1 ATOM 607 N NH2 . ARG A 1 38 ? 10.482 -10.121 50.019 1.00 19.47 ? 38 ARG A NH2 1 ATOM 608 H H . ARG A 1 38 ? 9.747 -4.027 52.279 1.00 9.47 ? 38 ARG A H 1 ATOM 609 H HA . ARG A 1 38 ? 11.093 -3.915 49.900 1.00 9.42 ? 38 ARG A HA 1 ATOM 610 H HB2 . ARG A 1 38 ? 9.246 -5.662 50.707 1.00 14.81 ? 38 ARG A HB2 1 ATOM 611 H HB3 . ARG A 1 38 ? 8.503 -4.719 49.675 1.00 14.81 ? 38 ARG A HB3 1 ATOM 612 H HG2 . ARG A 1 38 ? 9.909 -5.366 48.005 1.00 28.12 ? 38 ARG A HG2 1 ATOM 613 H HG3 . ARG A 1 38 ? 10.774 -6.227 49.033 1.00 28.12 ? 38 ARG A HG3 1 ATOM 614 H HD2 . ARG A 1 38 ? 8.032 -6.850 48.785 1.00 19.89 ? 38 ARG A HD2 1 ATOM 615 H HD3 . ARG A 1 38 ? 9.015 -7.403 47.665 1.00 19.89 ? 38 ARG A HD3 1 ATOM 616 H HE . ARG A 1 38 ? 8.779 -8.360 50.268 1.00 18.26 ? 38 ARG A HE 1 ATOM 617 H HH11 . ARG A 1 38 ? 10.850 -8.332 47.561 1.00 17.62 ? 38 ARG A HH11 1 ATOM 618 H HH12 . ARG A 1 38 ? 11.625 -9.544 47.947 1.00 17.62 ? 38 ARG A HH12 1 ATOM 619 H HH21 . ARG A 1 38 ? 10.004 -10.211 50.728 1.00 23.35 ? 38 ARG A HH21 1 ATOM 620 H HH22 . ARG A 1 38 ? 11.117 -10.677 49.855 1.00 23.35 ? 38 ARG A HH22 1 ATOM 621 N N . ALA A 1 39 ? 9.904 -1.884 49.051 1.00 7.29 ? 39 ALA A N 1 ATOM 622 C CA . ALA A 1 39 ? 9.249 -0.618 48.727 1.00 8.07 ? 39 ALA A CA 1 ATOM 623 C C . ALA A 1 39 ? 9.018 -0.469 47.241 1.00 7.63 ? 39 ALA A C 1 ATOM 624 O O . ALA A 1 39 ? 9.759 -1.002 46.401 1.00 8.57 ? 39 ALA A O 1 ATOM 625 C CB . ALA A 1 39 ? 10.098 0.537 49.191 1.00 9.03 ? 39 ALA A CB 1 ATOM 626 H H . ALA A 1 39 ? 10.532 -2.111 48.508 1.00 8.73 ? 39 ALA A H 1 ATOM 627 H HA . ALA A 1 39 ? 8.383 -0.572 49.183 1.00 9.67 ? 39 ALA A HA 1 ATOM 628 H HB1 . ALA A 1 39 ? 9.654 1.359 48.972 1.00 10.82 ? 39 ALA A HB1 1 ATOM 629 H HB2 . ALA A 1 39 ? 10.219 0.473 50.142 1.00 10.82 ? 39 ALA A HB2 1 ATOM 630 H HB3 . ALA A 1 39 ? 10.949 0.495 48.749 1.00 10.82 ? 39 ALA A HB3 1 ATOM 631 N N . TYR A 1 40 ? 7.978 0.269 46.891 1.00 7.60 ? 40 TYR A N 1 ATOM 632 C CA . TYR A 1 40 ? 7.647 0.501 45.479 1.00 7.97 ? 40 TYR A CA 1 ATOM 633 C C . TYR A 1 40 ? 7.124 1.933 45.393 1.00 8.09 ? 40 TYR A C 1 ATOM 634 O O . TYR A 1 40 ? 6.061 2.261 45.928 1.00 9.02 ? 40 TYR A O 1 ATOM 635 C CB . TYR A 1 40 ? 6.613 -0.517 45.005 1.00 7.10 ? 40 TYR A CB 1 ATOM 636 C CG . TYR A 1 40 ? 6.285 -0.539 43.525 1.00 5.81 ? 40 TYR A CG 1 ATOM 637 C CD1 . TYR A 1 40 ? 7.168 -0.055 42.569 1.00 7.25 ? 40 TYR A CD1 1 ATOM 638 C CD2 . TYR A 1 40 ? 5.102 -1.103 43.097 1.00 6.66 ? 40 TYR A CD2 1 ATOM 639 C CE1 . TYR A 1 40 ? 6.848 -0.119 41.210 1.00 8.54 ? 40 TYR A CE1 1 ATOM 640 C CE2 . TYR A 1 40 ? 4.782 -1.185 41.757 1.00 7.99 ? 40 TYR A CE2 1 ATOM 641 C CZ . TYR A 1 40 ? 5.645 -0.662 40.818 1.00 8.13 ? 40 TYR A CZ 1 ATOM 642 O OH . TYR A 1 40 ? 5.359 -0.740 39.454 1.00 9.70 ? 40 TYR A OH 1 ATOM 643 H H . TYR A 1 40 ? 7.442 0.650 47.446 1.00 9.11 ? 40 TYR A H 1 ATOM 644 H HA . TYR A 1 40 ? 8.452 0.421 44.926 1.00 9.56 ? 40 TYR A HA 1 ATOM 645 H HB2 . TYR A 1 40 ? 6.935 -1.402 45.238 1.00 8.51 ? 40 TYR A HB2 1 ATOM 646 H HB3 . TYR A 1 40 ? 5.784 -0.346 45.478 1.00 8.51 ? 40 TYR A HB3 1 ATOM 647 H HD1 . TYR A 1 40 ? 7.974 0.325 42.835 1.00 8.69 ? 40 TYR A HD1 1 ATOM 648 H HD2 . TYR A 1 40 ? 4.510 -1.447 43.726 1.00 7.98 ? 40 TYR A HD2 1 ATOM 649 H HE1 . TYR A 1 40 ? 7.437 0.219 40.575 1.00 10.24 ? 40 TYR A HE1 1 ATOM 650 H HE2 . TYR A 1 40 ? 3.971 -1.555 41.492 1.00 9.58 ? 40 TYR A HE2 1 ATOM 651 H HH . TYR A 1 40 ? 4.680 -0.312 39.284 1.00 11.63 ? 40 TYR A HH 1 ATOM 652 N N . SER A 1 41 ? 7.908 2.783 44.725 1.00 8.49 ? 41 SER A N 1 ATOM 653 C CA . SER A 1 41 ? 7.613 4.209 44.610 1.00 7.70 ? 41 SER A CA 1 ATOM 654 C C . SER A 1 41 ? 8.029 4.671 43.241 1.00 8.62 ? 41 SER A C 1 ATOM 655 O O . SER A 1 41 ? 9.045 4.191 42.730 1.00 10.50 ? 41 SER A O 1 ATOM 656 C CB . SER A 1 41 ? 8.391 5.003 45.652 1.00 8.77 ? 41 SER A CB 1 ATOM 657 O OG . SER A 1 41 ? 8.168 6.412 45.537 1.00 9.96 ? 41 SER A OG 1 ATOM 658 H H . SER A 1 41 ? 8.631 2.549 44.321 1.00 10.17 ? 41 SER A H 1 ATOM 659 H HA . SER A 1 41 ? 6.654 4.370 44.729 1.00 9.22 ? 41 SER A HA 1 ATOM 660 H HB2 . SER A 1 41 ? 8.111 4.715 46.535 1.00 10.51 ? 41 SER A HB2 1 ATOM 661 H HB3 . SER A 1 41 ? 9.337 4.827 45.535 1.00 10.51 ? 41 SER A HB3 1 ATOM 662 H HG . SER A 1 41 ? 7.650 6.564 44.919 1.00 11.94 ? 41 SER A HG 1 ATOM 663 N N . ASP A 1 42 ? 7.291 5.614 42.649 1.00 7.29 ? 42 ASP A N 1 ATOM 664 C CA . ASP A 1 42 ? 7.728 6.235 41.416 1.00 7.95 ? 42 ASP A CA 1 ATOM 665 C C . ASP A 1 42 ? 8.073 7.702 41.608 1.00 8.95 ? 42 ASP A C 1 ATOM 666 O O . ASP A 1 42 ? 8.129 8.471 40.630 1.00 10.16 ? 42 ASP A O 1 ATOM 667 C CB . ASP A 1 42 ? 6.763 6.001 40.239 1.00 9.87 ? 42 ASP A CB 1 ATOM 668 C CG . ASP A 1 42 ? 5.334 6.519 40.481 1.00 9.34 ? 42 ASP A CG 1 ATOM 669 O OD1 . ASP A 1 42 ? 5.164 7.389 41.348 1.00 10.83 ? 42 ASP A OD1 1 ATOM 670 O OD2 . ASP A 1 42 ? 4.410 6.034 39.775 1.00 10.64 ? 42 ASP A OD2 1 ATOM 671 H H . ASP A 1 42 ? 6.538 5.905 42.947 1.00 8.73 ? 42 ASP A H 1 ATOM 672 H HA . ASP A 1 42 ? 8.567 5.797 41.162 1.00 9.52 ? 42 ASP A HA 1 ATOM 673 H HB2 . ASP A 1 42 ? 7.113 6.454 39.456 1.00 11.83 ? 42 ASP A HB2 1 ATOM 674 H HB3 . ASP A 1 42 ? 6.707 5.048 40.068 1.00 11.83 ? 42 ASP A HB3 1 ATOM 675 N N . LEU A 1 43 ? 8.390 8.085 42.836 1.00 8.30 ? 43 LEU A N 1 ATOM 676 C CA . LEU A 1 43 ? 9.040 9.377 43.076 1.00 10.37 ? 43 LEU A CA 1 ATOM 677 C C . LEU A 1 43 ? 10.465 9.397 42.515 1.00 9.29 ? 43 LEU A C 1 ATOM 678 O O . LEU A 1 43 ? 11.233 8.464 42.666 1.00 12.11 ? 43 LEU A O 1 ATOM 679 C CB . LEU A 1 43 ? 9.108 9.676 44.579 1.00 10.69 ? 43 LEU A CB 1 ATOM 680 C CG . LEU A 1 43 ? 7.801 9.932 45.335 1.00 10.85 ? 43 LEU A CG 1 ATOM 681 C CD1 . LEU A 1 43 ? 8.128 9.977 46.794 1.00 10.36 ? 43 LEU A CD1 1 ATOM 682 C CD2 . LEU A 1 43 ? 7.127 11.212 44.858 1.00 12.04 ? 43 LEU A CD2 1 ATOM 683 H H . LEU A 1 43 ? 8.245 7.622 43.547 1.00 9.95 ? 43 LEU A H 1 ATOM 684 H HA . LEU A 1 43 ? 8.524 10.087 42.641 1.00 12.43 ? 43 LEU A HA 1 ATOM 685 H HB2 . LEU A 1 43 ? 9.538 8.921 45.011 1.00 12.82 ? 43 LEU A HB2 1 ATOM 686 H HB3 . LEU A 1 43 ? 9.660 10.464 44.698 1.00 12.82 ? 43 LEU A HB3 1 ATOM 687 H HG . LEU A 1 43 ? 7.192 9.193 45.182 1.00 13.01 ? 43 LEU A HG 1 ATOM 688 H HD11 . LEU A 1 43 ? 7.322 10.137 47.290 1.00 12.42 ? 43 LEU A HD11 1 ATOM 689 H HD12 . LEU A 1 43 ? 8.511 9.136 47.054 1.00 12.42 ? 43 LEU A HD12 1 ATOM 690 H HD13 . LEU A 1 43 ? 8.756 10.685 46.952 1.00 12.42 ? 43 LEU A HD13 1 ATOM 691 H HD21 . LEU A 1 43 ? 6.314 11.340 45.353 1.00 14.43 ? 43 LEU A HD21 1 ATOM 692 H HD22 . LEU A 1 43 ? 7.720 11.952 45.007 1.00 14.43 ? 43 LEU A HD22 1 ATOM 693 H HD23 . LEU A 1 43 ? 6.931 11.132 43.922 1.00 14.43 ? 43 LEU A HD23 1 ATOM 694 N N . SER A 1 44 ? 10.796 10.525 41.885 1.00 14.18 ? 44 SER A N 1 ATOM 695 C CA . SER A 1 44 ? 12.177 10.807 41.485 1.00 15.37 ? 44 SER A CA 1 ATOM 696 C C . SER A 1 44 ? 12.933 11.668 42.460 1.00 12.72 ? 44 SER A C 1 ATOM 697 O O . SER A 1 44 ? 14.157 11.585 42.551 1.00 17.64 ? 44 SER A O 1 ATOM 698 C CB . SER A 1 44 ? 12.193 11.490 40.113 1.00 19.04 ? 44 SER A CB 1 ATOM 699 O OG . SER A 1 44 ? 11.890 10.554 39.102 1.00 26.46 ? 44 SER A OG 1 ATOM 700 H H . SER A 1 44 ? 10.238 11.145 41.677 1.00 17.01 ? 44 SER A H 1 ATOM 701 H HA . SER A 1 44 ? 12.659 9.957 41.402 1.00 18.43 ? 44 SER A HA 1 ATOM 702 H HB2 . SER A 1 44 ? 11.528 12.196 40.102 1.00 22.84 ? 44 SER A HB2 1 ATOM 703 H HB3 . SER A 1 44 ? 13.075 11.858 39.951 1.00 22.84 ? 44 SER A HB3 1 ATOM 704 H HG . SER A 1 44 ? 11.761 9.815 39.434 1.00 31.75 ? 44 SER A HG 1 ATOM 705 N N . ARG A 1 45 ? 12.221 12.496 43.190 1.00 11.06 ? 45 ARG A N 1 ATOM 706 C CA . ARG A 1 45 ? 12.869 13.314 44.188 1.00 12.02 ? 45 ARG A CA 1 ATOM 707 C C . ARG A 1 45 ? 13.327 12.445 45.362 1.00 13.96 ? 45 ARG A C 1 ATOM 708 O O . ARG A 1 45 ? 12.993 11.260 45.443 1.00 12.94 ? 45 ARG A O 1 ATOM 709 C CB . ARG A 1 45 ? 11.918 14.390 44.704 1.00 12.71 ? 45 ARG A CB 1 ATOM 710 C CG . ARG A 1 45 ? 10.661 13.835 45.410 1.00 11.10 ? 45 ARG A CG 1 ATOM 711 C CD . ARG A 1 45 ? 10.050 14.870 46.366 1.00 14.64 ? 45 ARG A CD 1 ATOM 712 N NE . ARG A 1 45 ? 8.696 14.514 46.760 1.00 14.80 ? 45 ARG A NE 1 ATOM 713 C CZ . ARG A 1 45 ? 8.406 13.678 47.754 1.00 12.08 ? 45 ARG A CZ 1 ATOM 714 N NH1 . ARG A 1 45 ? 9.388 13.164 48.495 1.00 11.50 ? 45 ARG A NH1 1 ATOM 715 N NH2 . ARG A 1 45 ? 7.144 13.401 48.036 1.00 13.37 ? 45 ARG A NH2 1 ATOM 716 H H . ARG A 1 45 ? 11.370 12.605 43.129 1.00 13.26 ? 45 ARG A H 1 ATOM 717 H HA . ARG A 1 45 ? 13.653 13.752 43.797 1.00 14.42 ? 45 ARG A HA 1 ATOM 718 H HB2 . ARG A 1 45 ? 12.393 14.946 45.341 1.00 15.24 ? 45 ARG A HB2 1 ATOM 719 H HB3 . ARG A 1 45 ? 11.622 14.929 43.954 1.00 15.24 ? 45 ARG A HB3 1 ATOM 720 H HG2 . ARG A 1 45 ? 9.994 13.606 44.744 1.00 13.30 ? 45 ARG A HG2 1 ATOM 721 H HG3 . ARG A 1 45 ? 10.903 13.050 45.926 1.00 13.30 ? 45 ARG A HG3 1 ATOM 722 H HD2 . ARG A 1 45 ? 10.593 14.923 47.167 1.00 17.56 ? 45 ARG A HD2 1 ATOM 723 H HD3 . ARG A 1 45 ? 10.019 15.733 45.924 1.00 17.56 ? 45 ARG A HD3 1 ATOM 724 H HE . ARG A 1 45 ? 7.964 14.848 46.219 1.00 17.75 ? 45 ARG A HE 1 ATOM 725 H HH11 . ARG A 1 45 ? 10.208 13.347 48.309 1.00 13.79 ? 45 ARG A HH11 1 ATOM 726 H HH12 . ARG A 1 45 ? 9.203 12.632 49.144 1.00 13.79 ? 45 ARG A HH12 1 ATOM 727 H HH21 . ARG A 1 45 ? 6.513 13.744 47.563 1.00 16.04 ? 45 ARG A HH21 1 ATOM 728 H HH22 . ARG A 1 45 ? 6.955 12.874 48.689 1.00 16.04 ? 45 ARG A HH22 1 ATOM 729 N N . ALA A 1 46 ? 14.070 13.054 46.269 1.00 14.22 ? 46 ALA A N 1 ATOM 730 C CA . ALA A 1 46 ? 14.555 12.378 47.462 1.00 15.64 ? 46 ALA A CA 1 ATOM 731 C C . ALA A 1 46 ? 13.381 12.089 48.389 1.00 13.90 ? 46 ALA A C 1 ATOM 732 O O . ALA A 1 46 ? 12.374 12.826 48.405 1.00 14.26 ? 46 ALA A O 1 ATOM 733 C CB . ALA A 1 46 ? 15.580 13.258 48.178 1.00 16.41 ? 46 ALA A CB 1 ATOM 734 H H . ALA A 1 46 ? 14.314 13.877 46.216 1.00 17.05 ? 46 ALA A H 1 ATOM 735 H HA . ALA A 1 46 ? 14.981 11.531 47.215 1.00 18.76 ? 46 ALA A HA 1 ATOM 736 H HB1 . ALA A 1 46 ? 15.891 12.800 48.962 1.00 19.68 ? 46 ALA A HB1 1 ATOM 737 H HB2 . ALA A 1 46 ? 16.315 13.427 47.584 1.00 19.68 ? 46 ALA A HB2 1 ATOM 738 H HB3 . ALA A 1 46 ? 15.162 14.086 48.426 1.00 19.68 ? 46 ALA A HB3 1 ATOM 739 N N . TYR A 1 47 ? 13.510 11.039 49.189 1.00 10.93 ? 47 TYR A N 1 ATOM 740 C CA . TYR A 1 47 ? 12.514 10.737 50.184 1.00 11.70 ? 47 TYR A CA 1 ATOM 741 C C . TYR A 1 47 ? 13.059 9.869 51.297 1.00 10.68 ? 47 TYR A C 1 ATOM 742 O O . TYR A 1 47 ? 14.039 9.123 51.115 1.00 10.12 ? 47 TYR A O 1 ATOM 743 C CB . TYR A 1 47 ? 11.285 10.065 49.567 1.00 12.28 ? 47 TYR A CB 1 ATOM 744 C CG . TYR A 1 47 ? 11.561 8.850 48.695 1.00 10.66 ? 47 TYR A CG 1 ATOM 745 C CD1 . TYR A 1 47 ? 11.670 7.576 49.251 1.00 9.77 ? 47 TYR A CD1 1 ATOM 746 C CD2 . TYR A 1 47 ? 11.654 8.970 47.310 1.00 8.42 ? 47 TYR A CD2 1 ATOM 747 C CE1 . TYR A 1 47 ? 11.849 6.473 48.429 1.00 9.84 ? 47 TYR A CE1 1 ATOM 748 C CE2 . TYR A 1 47 ? 11.878 7.880 46.484 1.00 9.53 ? 47 TYR A CE2 1 ATOM 749 C CZ . TYR A 1 47 ? 11.957 6.628 47.039 1.00 11.11 ? 47 TYR A CZ 1 ATOM 750 O OH . TYR A 1 47 ? 12.121 5.560 46.184 1.00 13.28 ? 47 TYR A OH 1 ATOM 751 H H . TYR A 1 47 ? 14.170 10.488 49.169 1.00 13.11 ? 47 TYR A H 1 ATOM 752 H HA . TYR A 1 47 ? 12.217 11.579 50.588 1.00 14.03 ? 47 TYR A HA 1 ATOM 753 H HB2 . TYR A 1 47 ? 10.700 9.779 50.286 1.00 14.73 ? 47 TYR A HB2 1 ATOM 754 H HB3 . TYR A 1 47 ? 10.824 10.718 49.017 1.00 14.73 ? 47 TYR A HB3 1 ATOM 755 H HD1 . TYR A 1 47 ? 11.579 7.461 50.169 1.00 11.71 ? 47 TYR A HD1 1 ATOM 756 H HD2 . TYR A 1 47 ? 11.585 9.816 46.928 1.00 10.10 ? 47 TYR A HD2 1 ATOM 757 H HE1 . TYR A 1 47 ? 11.916 5.625 48.805 1.00 11.80 ? 47 TYR A HE1 1 ATOM 758 H HE2 . TYR A 1 47 ? 11.922 7.990 45.561 1.00 11.43 ? 47 TYR A HE2 1 ATOM 759 H HH . TYR A 1 47 ? 12.823 5.639 45.768 1.00 15.92 ? 47 TYR A HH 1 ATOM 760 N N . SER A 1 48 ? 12.429 9.971 52.468 1.00 11.26 ? 48 SER A N 1 ATOM 761 C CA A SER A 1 48 ? 12.731 9.136 53.602 0.79 10.64 ? 48 SER A CA 1 ATOM 762 C CA B SER A 1 48 ? 12.772 9.111 53.586 0.21 11.31 ? 48 SER A CA 1 ATOM 763 C C . SER A 1 48 ? 12.020 7.783 53.523 1.00 12.06 ? 48 SER A C 1 ATOM 764 O O . SER A 1 48 ? 10.820 7.723 53.235 1.00 13.07 ? 48 SER A O 1 ATOM 765 C CB A SER A 1 48 ? 12.292 9.838 54.876 0.79 12.71 ? 48 SER A CB 1 ATOM 766 C CB B SER A 1 48 ? 12.461 9.801 54.906 0.21 12.17 ? 48 SER A CB 1 ATOM 767 O OG A SER A 1 48 ? 12.524 9.024 56.002 0.79 11.60 ? 48 SER A OG 1 ATOM 768 O OG B SER A 1 48 ? 11.071 10.009 55.027 0.21 16.67 ? 48 SER A OG 1 ATOM 769 H H A SER A 1 48 ? 11.803 10.541 52.623 0.79 13.50 ? 48 SER A H 1 ATOM 770 H H B SER A 1 48 ? 11.800 10.533 52.635 0.21 13.50 ? 48 SER A H 1 ATOM 771 H HA A SER A 1 48 ? 13.698 8.980 53.648 0.79 12.76 ? 48 SER A HA 1 ATOM 772 H HA B SER A 1 48 ? 13.733 8.919 53.561 0.21 13.56 ? 48 SER A HA 1 ATOM 773 H HB2 A SER A 1 48 ? 12.795 10.662 54.973 0.79 15.24 ? 48 SER A HB2 1 ATOM 774 H HB2 B SER A 1 48 ? 12.763 9.240 55.638 0.21 14.59 ? 48 SER A HB2 1 ATOM 775 H HB3 A SER A 1 48 ? 11.343 10.033 54.818 0.79 15.24 ? 48 SER A HB3 1 ATOM 776 H HB3 B SER A 1 48 ? 12.915 10.658 54.933 0.21 14.59 ? 48 SER A HB3 1 ATOM 777 H HG A SER A 1 48 ? 12.857 8.312 55.769 0.79 13.90 ? 48 SER A HG 1 ATOM 778 H HG B SER A 1 48 ? 10.685 9.720 54.363 0.21 19.99 ? 48 SER A HG 1 ATOM 779 N N . LEU A 1 49 ? 12.737 6.692 53.798 1.00 10.90 ? 49 LEU A N 1 ATOM 780 C CA . LEU A 1 49 ? 12.133 5.361 53.859 1.00 8.46 ? 49 LEU A CA 1 ATOM 781 C C . LEU A 1 49 ? 11.831 4.892 55.263 1.00 8.73 ? 49 LEU A C 1 ATOM 782 O O . LEU A 1 49 ? 10.817 4.224 55.475 1.00 11.05 ? 49 LEU A O 1 ATOM 783 C CB . LEU A 1 49 ? 13.053 4.354 53.181 1.00 10.74 ? 49 LEU A CB 1 ATOM 784 C CG . LEU A 1 49 ? 13.074 4.469 51.654 1.00 11.30 ? 49 LEU A CG 1 ATOM 785 C CD1 . LEU A 1 49 ? 14.349 3.892 51.092 1.00 17.09 ? 49 LEU A CD1 1 ATOM 786 C CD2 . LEU A 1 49 ? 11.838 3.806 51.038 1.00 14.07 ? 49 LEU A CD2 1 ATOM 787 H H . LEU A 1 49 ? 13.583 6.697 53.955 1.00 13.07 ? 49 LEU A H 1 ATOM 788 H HA . LEU A 1 49 ? 11.288 5.376 53.362 1.00 10.15 ? 49 LEU A HA 1 ATOM 789 H HB2 . LEU A 1 49 ? 13.958 4.492 53.501 1.00 12.88 ? 49 LEU A HB2 1 ATOM 790 H HB3 . LEU A 1 49 ? 12.757 3.458 53.406 1.00 12.88 ? 49 LEU A HB3 1 ATOM 791 H HG . LEU A 1 49 ? 13.050 5.409 51.416 1.00 13.55 ? 49 LEU A HG 1 ATOM 792 H HD11 . LEU A 1 49 ? 14.336 3.977 50.136 1.00 20.49 ? 49 LEU A HD11 1 ATOM 793 H HD12 . LEU A 1 49 ? 15.096 4.374 51.454 1.00 20.49 ? 49 LEU A HD12 1 ATOM 794 H HD13 . LEU A 1 49 ? 14.407 2.966 51.338 1.00 20.49 ? 49 LEU A HD13 1 ATOM 795 H HD21 . LEU A 1 49 ? 11.880 3.895 50.083 1.00 16.88 ? 49 LEU A HD21 1 ATOM 796 H HD22 . LEU A 1 49 ? 11.828 2.878 51.282 1.00 16.88 ? 49 LEU A HD22 1 ATOM 797 H HD23 . LEU A 1 49 ? 11.051 4.241 51.374 1.00 16.88 ? 49 LEU A HD23 1 ATOM 798 N N . PHE A 1 50 ? 12.678 5.249 56.227 1.00 8.41 ? 50 PHE A N 1 ATOM 799 C CA . PHE A 1 50 ? 12.519 4.774 57.609 1.00 8.64 ? 50 PHE A CA 1 ATOM 800 C C . PHE A 1 50 ? 13.171 5.777 58.536 1.00 10.01 ? 50 PHE A C 1 ATOM 801 O O . PHE A 1 50 ? 14.359 6.077 58.402 1.00 9.36 ? 50 PHE A O 1 ATOM 802 C CB . PHE A 1 50 ? 13.242 3.438 57.752 1.00 7.59 ? 50 PHE A CB 1 ATOM 803 C CG . PHE A 1 50 ? 13.128 2.796 59.112 1.00 8.80 ? 50 PHE A CG 1 ATOM 804 C CD1 . PHE A 1 50 ? 12.110 1.898 59.389 1.00 9.50 ? 50 PHE A CD1 1 ATOM 805 C CD2 . PHE A 1 50 ? 14.100 3.017 60.071 1.00 10.03 ? 50 PHE A CD2 1 ATOM 806 C CE1 . PHE A 1 50 ? 12.054 1.243 60.627 1.00 9.26 ? 50 PHE A CE1 1 ATOM 807 C CE2 . PHE A 1 50 ? 14.045 2.363 61.308 1.00 11.18 ? 50 PHE A CE2 1 ATOM 808 C CZ . PHE A 1 50 ? 13.037 1.482 61.570 1.00 10.74 ? 50 PHE A CZ 1 ATOM 809 H H . PHE A 1 50 ? 13.354 5.767 56.110 1.00 10.08 ? 50 PHE A H 1 ATOM 810 H HA . PHE A 1 50 ? 11.572 4.670 57.839 1.00 10.36 ? 50 PHE A HA 1 ATOM 811 H HB2 . PHE A 1 50 ? 12.875 2.817 57.103 1.00 9.09 ? 50 PHE A HB2 1 ATOM 812 H HB3 . PHE A 1 50 ? 14.185 3.576 57.572 1.00 9.09 ? 50 PHE A HB3 1 ATOM 813 H HD1 . PHE A 1 50 ? 11.465 1.719 58.743 1.00 11.39 ? 50 PHE A HD1 1 ATOM 814 H HD2 . PHE A 1 50 ? 14.804 3.597 59.888 1.00 12.03 ? 50 PHE A HD2 1 ATOM 815 H HE1 . PHE A 1 50 ? 11.359 0.653 60.814 1.00 11.10 ? 50 PHE A HE1 1 ATOM 816 H HE2 . PHE A 1 50 ? 14.695 2.531 61.952 1.00 13.41 ? 50 PHE A HE2 1 ATOM 817 H HZ . PHE A 1 50 ? 12.986 1.074 62.404 1.00 12.88 ? 50 PHE A HZ 1 ATOM 818 N N . SER A 1 51 ? 12.391 6.362 59.443 1.00 10.73 ? 51 SER A N 1 ATOM 819 C CA . SER A 1 51 ? 12.820 7.471 60.284 1.00 12.69 ? 51 SER A CA 1 ATOM 820 C C . SER A 1 51 ? 12.703 7.077 61.751 1.00 13.35 ? 51 SER A C 1 ATOM 821 O O . SER A 1 51 ? 11.604 6.765 62.240 1.00 14.22 ? 51 SER A O 1 ATOM 822 C CB . SER A 1 51 ? 11.928 8.663 59.935 1.00 15.42 ? 51 SER A CB 1 ATOM 823 O OG . SER A 1 51 ? 12.143 9.790 60.766 1.00 14.84 ? 51 SER A OG 1 ATOM 824 H H . SER A 1 51 ? 11.579 6.121 59.593 1.00 12.86 ? 51 SER A H 1 ATOM 825 H HA . SER A 1 51 ? 13.752 7.701 60.087 1.00 15.22 ? 51 SER A HA 1 ATOM 826 H HB2 . SER A 1 51 ? 12.104 8.920 59.016 1.00 18.50 ? 51 SER A HB2 1 ATOM 827 H HB3 . SER A 1 51 ? 11.001 8.389 60.022 1.00 18.50 ? 51 SER A HB3 1 ATOM 828 H HG . SER A 1 51 ? 12.726 9.624 61.318 1.00 17.80 ? 51 SER A HG 1 ATOM 829 N N . TYR A 1 52 ? 13.822 7.055 62.459 1.00 13.41 ? 52 TYR A N 1 ATOM 830 C CA . TYR A 1 52 ? 13.888 6.612 63.837 1.00 13.34 ? 52 TYR A CA 1 ATOM 831 C C . TYR A 1 52 ? 14.543 7.776 64.572 1.00 17.62 ? 52 TYR A C 1 ATOM 832 O O . TYR A 1 52 ? 15.713 8.061 64.383 1.00 16.64 ? 52 TYR A O 1 ATOM 833 C CB . TYR A 1 52 ? 14.692 5.329 63.876 1.00 13.95 ? 52 TYR A CB 1 ATOM 834 C CG . TYR A 1 52 ? 15.125 4.685 65.195 1.00 10.93 ? 52 TYR A CG 1 ATOM 835 C CD1 . TYR A 1 52 ? 14.805 3.364 65.477 1.00 13.36 ? 52 TYR A CD1 1 ATOM 836 C CD2 . TYR A 1 52 ? 15.958 5.352 66.078 1.00 16.47 ? 52 TYR A CD2 1 ATOM 837 C CE1 . TYR A 1 52 ? 15.245 2.742 66.592 1.00 15.12 ? 52 TYR A CE1 1 ATOM 838 C CE2 . TYR A 1 52 ? 16.430 4.726 67.196 1.00 13.63 ? 52 TYR A CE2 1 ATOM 839 C CZ . TYR A 1 52 ? 16.052 3.427 67.473 1.00 14.62 ? 52 TYR A CZ 1 ATOM 840 O OH . TYR A 1 52 ? 16.462 2.760 68.608 1.00 18.74 ? 52 TYR A OH 1 ATOM 841 H H . TYR A 1 52 ? 14.584 7.303 62.147 1.00 16.08 ? 52 TYR A H 1 ATOM 842 H HA . TYR A 1 52 ? 12.990 6.454 64.195 1.00 16.00 ? 52 TYR A HA 1 ATOM 843 H HB2 . TYR A 1 52 ? 14.175 4.656 63.407 1.00 16.72 ? 52 TYR A HB2 1 ATOM 844 H HB3 . TYR A 1 52 ? 15.508 5.490 63.377 1.00 16.72 ? 52 TYR A HB3 1 ATOM 845 H HD1 . TYR A 1 52 ? 14.265 2.895 64.882 1.00 16.02 ? 52 TYR A HD1 1 ATOM 846 H HD2 . TYR A 1 52 ? 16.224 6.224 65.891 1.00 19.75 ? 52 TYR A HD2 1 ATOM 847 H HE1 . TYR A 1 52 ? 14.990 1.866 66.773 1.00 18.13 ? 52 TYR A HE1 1 ATOM 848 H HE2 . TYR A 1 52 ? 16.960 5.193 67.800 1.00 16.34 ? 52 TYR A HE2 1 ATOM 849 H HH . TYR A 1 52 ? 16.201 3.156 69.276 1.00 22.48 ? 52 TYR A HH 1 ATOM 850 N N . ASN A 1 53 ? 13.727 8.523 65.318 1.00 18.11 ? 53 ASN A N 1 ATOM 851 C CA . ASN A 1 53 ? 14.212 9.681 66.058 1.00 22.87 ? 53 ASN A CA 1 ATOM 852 C C . ASN A 1 53 ? 14.070 9.361 67.545 1.00 21.76 ? 53 ASN A C 1 ATOM 853 O O . ASN A 1 53 ? 13.282 8.507 67.935 1.00 22.66 ? 53 ASN A O 1 ATOM 854 C CB . ASN A 1 53 ? 13.420 10.929 65.646 1.00 23.64 ? 53 ASN A CB 1 ATOM 855 C CG . ASN A 1 53 ? 14.077 11.700 64.530 1.00 23.60 ? 53 ASN A CG 1 ATOM 856 O OD1 . ASN A 1 53 ? 14.979 11.189 63.838 1.00 21.36 ? 53 ASN A OD1 1 ATOM 857 N ND2 . ASN A 1 53 ? 13.652 12.950 64.341 1.00 21.00 ? 53 ASN A ND2 1 ATOM 858 H H . ASN A 1 53 ? 12.884 8.376 65.410 1.00 21.72 ? 53 ASN A H 1 ATOM 859 H HA . ASN A 1 53 ? 15.160 9.829 65.857 1.00 27.44 ? 53 ASN A HA 1 ATOM 860 H HB2 . ASN A 1 53 ? 12.539 10.658 65.345 1.00 28.36 ? 53 ASN A HB2 1 ATOM 861 H HB3 . ASN A 1 53 ? 13.341 11.519 66.412 1.00 28.36 ? 53 ASN A HB3 1 ATOM 862 H HD21 . ASN A 1 53 ? 14.043 13.499 63.630 1.00 25.19 ? 53 ASN A HD21 1 ATOM 863 H HD22 . ASN A 1 53 ? 12.948 13.320 64.914 1.00 25.19 ? 53 ASN A HD22 1 ATOM 864 N N . THR A 1 54 ? 14.918 9.940 68.387 1.00 22.18 ? 54 THR A N 1 ATOM 865 C CA . THR A 1 54 ? 14.753 9.735 69.829 1.00 24.94 ? 54 THR A CA 1 ATOM 866 C C . THR A 1 54 ? 14.688 11.126 70.458 1.00 23.27 ? 54 THR A C 1 ATOM 867 O O . THR A 1 54 ? 14.928 12.125 69.782 1.00 29.85 ? 54 THR A O 1 ATOM 868 C CB . THR A 1 54 ? 15.892 8.946 70.441 1.00 28.56 ? 54 THR A CB 1 ATOM 869 O OG1 . THR A 1 54 ? 17.114 9.649 70.174 1.00 24.54 ? 54 THR A OG1 1 ATOM 870 C CG2 . THR A 1 54 ? 15.972 7.526 69.854 1.00 23.50 ? 54 THR A CG2 1 ATOM 871 H H . THR A 1 54 ? 15.579 10.442 68.163 1.00 26.61 ? 54 THR A H 1 ATOM 872 H HA . THR A 1 54 ? 13.911 9.267 70.006 1.00 29.92 ? 54 THR A HA 1 ATOM 873 H HB . THR A 1 54 ? 15.760 8.876 71.400 1.00 34.26 ? 54 THR A HB 1 ATOM 874 H HG1 . THR A 1 54 ? 17.749 9.242 70.496 1.00 29.44 ? 54 THR A HG1 1 ATOM 875 H HG21 . THR A 1 54 ? 16.699 7.046 70.256 1.00 28.19 ? 54 THR A HG21 1 ATOM 876 H HG22 . THR A 1 54 ? 15.153 7.054 70.025 1.00 28.19 ? 54 THR A HG22 1 ATOM 877 H HG23 . THR A 1 54 ? 16.114 7.571 68.906 1.00 28.19 ? 54 THR A HG23 1 ATOM 878 N N . GLN A 1 55 ? 14.278 11.213 71.719 1.00 35.27 ? 55 GLN A N 1 ATOM 879 C CA . GLN A 1 55 ? 14.038 12.527 72.325 1.00 34.52 ? 55 GLN A CA 1 ATOM 880 C C . GLN A 1 55 ? 15.348 13.312 72.371 1.00 24.80 ? 55 GLN A C 1 ATOM 881 O O . GLN A 1 55 ? 16.342 12.860 72.945 1.00 28.63 ? 55 GLN A O 1 ATOM 882 C CB . GLN A 1 55 ? 13.410 12.400 73.727 1.00 43.32 ? 55 GLN A CB 1 ATOM 883 C CG . GLN A 1 55 ? 13.344 13.727 74.516 1.00 46.93 ? 55 GLN A CG 1 ATOM 884 C CD . GLN A 1 55 ? 12.629 14.860 73.778 1.00 47.36 ? 55 GLN A CD 1 ATOM 885 O OE1 . GLN A 1 55 ? 13.201 15.939 73.565 1.00 52.68 ? 55 GLN A OE1 1 ATOM 886 N NE2 . GLN A 1 55 ? 11.372 14.627 73.398 1.00 33.48 ? 55 GLN A NE2 1 ATOM 887 H H . GLN A 1 55 ? 14.133 10.544 72.239 1.00 42.31 ? 55 GLN A H 1 ATOM 888 H HA . GLN A 1 55 ? 13.411 13.025 71.760 1.00 41.41 ? 55 GLN A HA 1 ATOM 889 H HB2 . GLN A 1 55 ? 12.503 12.068 73.632 1.00 51.98 ? 55 GLN A HB2 1 ATOM 890 H HB3 . GLN A 1 55 ? 13.935 11.773 74.247 1.00 51.98 ? 55 GLN A HB3 1 ATOM 891 H HG2 . GLN A 1 55 ? 12.871 13.571 75.348 1.00 56.31 ? 55 GLN A HG2 1 ATOM 892 H HG3 . GLN A 1 55 ? 14.249 14.022 74.704 1.00 56.31 ? 55 GLN A HG3 1 ATOM 893 H HE21 . GLN A 1 55 ? 10.929 15.235 72.981 1.00 40.17 ? 55 GLN A HE21 1 ATOM 894 H HE22 . GLN A 1 55 ? 11.004 13.869 73.572 1.00 40.17 ? 55 GLN A HE22 1 ATOM 895 N N . GLY A 1 56 ? 15.332 14.459 71.706 1.00 32.26 ? 56 GLY A N 1 ATOM 896 C CA . GLY A 1 56 ? 16.486 15.324 71.638 1.00 35.19 ? 56 GLY A CA 1 ATOM 897 C C . GLY A 1 56 ? 17.348 15.068 70.416 1.00 37.18 ? 56 GLY A C 1 ATOM 898 O O . GLY A 1 56 ? 18.209 15.884 70.102 1.00 31.20 ? 56 GLY A O 1 ATOM 899 H H . GLY A 1 56 ? 14.648 14.760 71.280 1.00 38.70 ? 56 GLY A H 1 ATOM 900 H HA2 . GLY A 1 56 ? 16.194 16.248 71.617 1.00 42.21 ? 56 GLY A HA2 1 ATOM 901 H HA3 . GLY A 1 56 ? 17.032 15.194 72.429 1.00 42.21 ? 56 GLY A HA3 1 ATOM 902 N N . ARG A 1 57 ? 17.094 13.965 69.705 1.00 34.28 ? 57 ARG A N 1 ATOM 903 C CA A ARG A 1 57 ? 17.962 13.569 68.601 0.55 25.57 ? 57 ARG A CA 1 ATOM 904 C CA B ARG A 1 57 ? 17.953 13.538 68.600 0.45 25.74 ? 57 ARG A CA 1 ATOM 905 C C . ARG A 1 57 ? 17.206 13.386 67.274 1.00 24.60 ? 57 ARG A C 1 ATOM 906 O O . ARG A 1 57 ? 16.293 12.592 67.173 1.00 26.73 ? 57 ARG A O 1 ATOM 907 C CB A ARG A 1 57 ? 18.743 12.304 68.995 0.55 25.23 ? 57 ARG A CB 1 ATOM 908 C CB B ARG A 1 57 ? 18.613 12.202 68.952 0.45 24.68 ? 57 ARG A CB 1 ATOM 909 C CG A ARG A 1 57 ? 19.564 12.484 70.299 0.55 27.80 ? 57 ARG A CG 1 ATOM 910 C CG B ARG A 1 57 ? 19.555 12.254 70.153 0.45 26.59 ? 57 ARG A CG 1 ATOM 911 C CD A ARG A 1 57 ? 20.501 11.310 70.629 0.55 26.47 ? 57 ARG A CD 1 ATOM 912 C CD B ARG A 1 57 ? 20.500 13.437 70.044 0.45 22.23 ? 57 ARG A CD 1 ATOM 913 N NE A ARG A 1 57 ? 21.603 11.178 69.674 0.55 28.75 ? 57 ARG A NE 1 ATOM 914 N NE B ARG A 1 57 ? 21.572 13.406 71.036 0.45 33.73 ? 57 ARG A NE 1 ATOM 915 C CZ A ARG A 1 57 ? 22.798 11.752 69.791 0.55 31.44 ? 57 ARG A CZ 1 ATOM 916 C CZ B ARG A 1 57 ? 22.862 13.240 70.751 0.45 36.40 ? 57 ARG A CZ 1 ATOM 917 N NH1 A ARG A 1 57 ? 23.092 12.512 70.840 0.55 37.11 ? 57 ARG A NH1 1 ATOM 918 N NH1 B ARG A 1 57 ? 23.260 13.071 69.495 0.45 34.41 ? 57 ARG A NH1 1 ATOM 919 N NH2 A ARG A 1 57 ? 23.713 11.546 68.853 0.55 27.09 ? 57 ARG A NH2 1 ATOM 920 N NH2 B ARG A 1 57 ? 23.759 13.233 71.728 0.45 34.07 ? 57 ARG A NH2 1 ATOM 921 H H A ARG A 1 57 ? 16.430 13.436 69.844 0.55 41.12 ? 57 ARG A H 1 ATOM 922 H H B ARG A 1 57 ? 16.424 13.444 69.846 0.45 41.12 ? 57 ARG A H 1 ATOM 923 H HA A ARG A 1 57 ? 18.620 14.281 68.461 0.55 30.67 ? 57 ARG A HA 1 ATOM 924 H HA B ARG A 1 57 ? 18.663 14.202 68.474 0.45 30.88 ? 57 ARG A HA 1 ATOM 925 H HB2 A ARG A 1 57 ? 18.116 11.577 69.133 0.55 30.26 ? 57 ARG A HB2 1 ATOM 926 H HB2 B ARG A 1 57 ? 17.917 11.557 69.152 0.45 29.61 ? 57 ARG A HB2 1 ATOM 927 H HB3 A ARG A 1 57 ? 19.360 12.079 68.281 0.55 30.26 ? 57 ARG A HB3 1 ATOM 928 H HB3 B ARG A 1 57 ? 19.128 11.901 68.187 0.45 29.61 ? 57 ARG A HB3 1 ATOM 929 H HG2 A ARG A 1 57 ? 20.109 13.281 70.215 0.55 33.35 ? 57 ARG A HG2 1 ATOM 930 H HG2 B ARG A 1 57 ? 19.035 12.350 70.966 0.45 31.90 ? 57 ARG A HG2 1 ATOM 931 H HG3 A ARG A 1 57 ? 18.948 12.586 71.041 0.55 33.35 ? 57 ARG A HG3 1 ATOM 932 H HG3 B ARG A 1 57 ? 20.083 11.441 70.183 0.45 31.90 ? 57 ARG A HG3 1 ATOM 933 H HD2 A ARG A 1 57 ? 20.883 11.448 71.510 0.55 31.75 ? 57 ARG A HD2 1 ATOM 934 H HD2 B ARG A 1 57 ? 20.908 13.435 69.164 0.45 26.66 ? 57 ARG A HD2 1 ATOM 935 H HD3 A ARG A 1 57 ? 19.992 10.484 70.613 0.55 31.75 ? 57 ARG A HD3 1 ATOM 936 H HD3 B ARG A 1 57 ? 19.997 14.256 70.174 0.45 26.66 ? 57 ARG A HD3 1 ATOM 937 H HE A ARG A 1 57 ? 21.450 10.627 68.891 0.55 34.49 ? 57 ARG A HE 1 ATOM 938 H HE B ARG A 1 57 ? 21.327 13.515 71.969 0.45 40.46 ? 57 ARG A HE 1 ATOM 939 H HH11 A ARG A 1 57 ? 22.503 12.646 71.452 0.55 44.52 ? 57 ARG A HH11 1 ATOM 940 H HH11 B ARG A 1 57 ? 22.684 13.076 68.856 0.45 41.28 ? 57 ARG A HH11 1 ATOM 941 H HH12 A ARG A 1 57 ? 23.869 12.874 70.903 0.55 44.52 ? 57 ARG A HH12 1 ATOM 942 H HH12 B ARG A 1 57 ? 24.095 12.962 69.320 0.45 41.28 ? 57 ARG A HH12 1 ATOM 943 H HH21 A ARG A 1 57 ? 23.528 11.053 68.173 0.55 32.49 ? 57 ARG A HH21 1 ATOM 944 H HH21 B ARG A 1 57 ? 23.508 13.338 72.544 0.45 40.88 ? 57 ARG A HH21 1 ATOM 945 H HH22 A ARG A 1 57 ? 24.488 11.912 68.921 0.55 32.49 ? 57 ARG A HH22 1 ATOM 946 H HH22 B ARG A 1 57 ? 24.592 13.121 71.546 0.45 40.88 ? 57 ARG A HH22 1 ATOM 947 N N . ASP A 1 58 ? 17.615 14.162 66.266 1.00 22.56 ? 58 ASP A N 1 ATOM 948 C CA . ASP A 1 58 ? 17.123 14.008 64.887 1.00 21.44 ? 58 ASP A CA 1 ATOM 949 C C . ASP A 1 58 ? 18.028 13.019 64.153 1.00 20.80 ? 58 ASP A C 1 ATOM 950 O O . ASP A 1 58 ? 19.240 12.928 64.427 1.00 23.68 ? 58 ASP A O 1 ATOM 951 C CB . ASP A 1 58 ? 17.152 15.365 64.143 1.00 26.32 ? 58 ASP A CB 1 ATOM 952 C CG . ASP A 1 58 ? 16.408 15.334 62.790 1.00 26.41 ? 58 ASP A CG 1 ATOM 953 O OD1 . ASP A 1 58 ? 15.426 14.583 62.690 1.00 24.31 ? 58 ASP A OD1 1 ATOM 954 O OD2 . ASP A 1 58 ? 16.786 16.059 61.837 1.00 23.76 ? 58 ASP A OD2 1 ATOM 955 H H . ASP A 1 58 ? 18.187 14.798 66.355 1.00 27.06 ? 58 ASP A H 1 ATOM 956 H HA . ASP A 1 58 ? 16.205 13.663 64.892 1.00 25.71 ? 58 ASP A HA 1 ATOM 957 H HB2 . ASP A 1 58 ? 16.730 16.038 64.700 1.00 31.57 ? 58 ASP A HB2 1 ATOM 958 H HB3 . ASP A 1 58 ? 18.074 15.610 63.971 1.00 31.57 ? 58 ASP A HB3 1 ATOM 959 N N . ASN A 1 59 ? 17.450 12.345 63.160 1.00 18.68 ? 59 ASN A N 1 ATOM 960 C CA . ASN A 1 59 ? 18.175 11.431 62.277 1.00 20.18 ? 59 ASN A CA 1 ATOM 961 C C . ASN A 1 59 ? 18.976 10.423 63.079 1.00 15.63 ? 59 ASN A C 1 ATOM 962 O O . ASN A 1 59 ? 20.165 10.204 62.776 1.00 18.72 ? 59 ASN A O 1 ATOM 963 C CB . ASN A 1 59 ? 19.051 12.232 61.287 1.00 17.71 ? 59 ASN A CB 1 ATOM 964 C CG . ASN A 1 59 ? 18.211 13.166 60.407 1.00 17.39 ? 59 ASN A CG 1 ATOM 965 O OD1 . ASN A 1 59 ? 16.980 13.108 60.440 1.00 18.27 ? 59 ASN A OD1 1 ATOM 966 N ND2 . ASN A 1 59 ? 18.857 14.001 59.629 1.00 18.28 ? 59 ASN A ND2 1 ATOM 967 H H . ASN A 1 59 ? 16.613 12.403 62.972 1.00 22.41 ? 59 ASN A H 1 ATOM 968 H HA . ASN A 1 59 ? 17.520 10.929 61.748 1.00 24.20 ? 59 ASN A HA 1 ATOM 969 H HB2 . ASN A 1 59 ? 19.683 12.773 61.786 1.00 21.24 ? 59 ASN A HB2 1 ATOM 970 H HB3 . ASN A 1 59 ? 19.525 11.614 60.708 1.00 21.24 ? 59 ASN A HB3 1 ATOM 971 H HD21 . ASN A 1 59 ? 18.360 14.615 59.050 1.00 21.93 ? 59 ASN A HD21 1 ATOM 972 H HD22 . ASN A 1 59 ? 19.837 14.010 59.627 1.00 21.93 ? 59 ASN A HD22 1 ATOM 973 N N . GLU A 1 60 ? 18.379 9.864 64.135 1.00 16.96 ? 60 GLU A N 1 ATOM 974 C CA . GLU A 1 60 ? 19.160 8.962 64.999 1.00 12.62 ? 60 GLU A CA 1 ATOM 975 C C . GLU A 1 60 ? 19.465 7.703 64.219 1.00 11.39 ? 60 GLU A C 1 ATOM 976 O O . GLU A 1 60 ? 20.575 7.192 64.255 1.00 12.56 ? 60 GLU A O 1 ATOM 977 C CB . GLU A 1 60 ? 18.520 8.666 66.366 1.00 13.82 ? 60 GLU A CB 1 ATOM 978 C CG . GLU A 1 60 ? 19.297 7.728 67.268 1.00 15.28 ? 60 GLU A CG 1 ATOM 979 C CD . GLU A 1 60 ? 20.571 8.343 67.848 1.00 16.95 ? 60 GLU A CD 1 ATOM 980 O OE1 . GLU A 1 60 ? 20.842 9.542 67.567 1.00 19.47 ? 60 GLU A OE1 1 ATOM 981 O OE2 . GLU A 1 60 ? 21.227 7.608 68.591 1.00 20.08 ? 60 GLU A OE2 1 ATOM 982 H H . GLU A 1 60 ? 17.559 9.981 64.368 1.00 20.35 ? 60 GLU A H 1 ATOM 983 H HA . GLU A 1 60 ? 20.019 9.396 65.181 1.00 15.13 ? 60 GLU A HA 1 ATOM 984 H HB2 . GLU A 1 60 ? 18.414 9.505 66.842 1.00 16.57 ? 60 GLU A HB2 1 ATOM 985 H HB3 . GLU A 1 60 ? 17.648 8.269 66.215 1.00 16.57 ? 60 GLU A HB3 1 ATOM 986 H HG2 . GLU A 1 60 ? 18.730 7.467 68.011 1.00 18.32 ? 60 GLU A HG2 1 ATOM 987 H HG3 . GLU A 1 60 ? 19.552 6.943 66.758 1.00 18.32 ? 60 GLU A HG3 1 ATOM 988 N N . LEU A 1 61 ? 18.456 7.177 63.532 1.00 10.75 ? 61 LEU A N 1 ATOM 989 C CA . LEU A 1 61 ? 18.697 6.147 62.533 1.00 9.46 ? 61 LEU A CA 1 ATOM 990 C C . LEU A 1 61 ? 17.761 6.563 61.400 1.00 12.43 ? 61 LEU A C 1 ATOM 991 O O . LEU A 1 61 ? 16.568 6.752 61.596 1.00 14.08 ? 61 LEU A O 1 ATOM 992 C CB . LEU A 1 61 ? 18.346 4.771 63.111 1.00 12.35 ? 61 LEU A CB 1 ATOM 993 C CG . LEU A 1 61 ? 18.660 3.447 62.452 1.00 18.78 ? 61 LEU A CG 1 ATOM 994 C CD1 . LEU A 1 61 ? 18.369 2.343 63.464 1.00 13.83 ? 61 LEU A CD1 1 ATOM 995 C CD2 . LEU A 1 61 ? 17.825 3.277 61.186 1.00 22.57 ? 61 LEU A CD2 1 ATOM 996 H H . LEU A 1 61 ? 17.630 7.398 63.625 1.00 12.89 ? 61 LEU A H 1 ATOM 997 H HA . LEU A 1 61 ? 19.628 6.161 62.226 1.00 11.35 ? 61 LEU A HA 1 ATOM 998 H HB2 . LEU A 1 61 ? 18.766 4.729 63.984 1.00 14.81 ? 61 LEU A HB2 1 ATOM 999 H HB3 . LEU A 1 61 ? 17.385 4.770 63.243 1.00 14.81 ? 61 LEU A HB3 1 ATOM 1000 H HG . LEU A 1 61 ? 19.600 3.413 62.215 1.00 22.53 ? 61 LEU A HG 1 ATOM 1001 H HD11 . LEU A 1 61 ? 18.563 1.493 63.062 1.00 16.59 ? 61 LEU A HD11 1 ATOM 1002 H HD12 . LEU A 1 61 ? 18.922 2.475 64.237 1.00 16.59 ? 61 LEU A HD12 1 ATOM 1003 H HD13 . LEU A 1 61 ? 17.442 2.385 63.712 1.00 16.59 ? 61 LEU A HD13 1 ATOM 1004 H HD21 . LEU A 1 61 ? 18.038 2.432 60.783 1.00 27.07 ? 61 LEU A HD21 1 ATOM 1005 H HD22 . LEU A 1 61 ? 16.895 3.303 61.420 1.00 27.07 ? 61 LEU A HD22 1 ATOM 1006 H HD23 . LEU A 1 61 ? 18.031 3.991 60.579 1.00 27.07 ? 61 LEU A HD23 1 ATOM 1007 N N . LEU A 1 62 ? 18.282 6.777 60.210 1.00 8.13 ? 62 LEU A N 1 ATOM 1008 C CA . LEU A 1 62 ? 17.454 7.187 59.092 1.00 8.63 ? 62 LEU A CA 1 ATOM 1009 C C . LEU A 1 62 ? 17.921 6.496 57.816 1.00 7.68 ? 62 LEU A C 1 ATOM 1010 O O . LEU A 1 62 ? 19.116 6.544 57.494 1.00 8.61 ? 62 LEU A O 1 ATOM 1011 C CB . LEU A 1 62 ? 17.526 8.718 58.900 1.00 11.08 ? 62 LEU A CB 1 ATOM 1012 C CG . LEU A 1 62 ? 16.895 9.320 57.649 1.00 10.62 ? 62 LEU A CG 1 ATOM 1013 C CD1 . LEU A 1 62 ? 15.386 9.132 57.585 1.00 15.50 ? 62 LEU A CD1 1 ATOM 1014 C CD2 . LEU A 1 62 ? 17.200 10.807 57.520 1.00 12.38 ? 62 LEU A CD2 1 ATOM 1015 H H . LEU A 1 62 ? 19.116 6.692 60.020 1.00 9.75 ? 62 LEU A H 1 ATOM 1016 H HA . LEU A 1 62 ? 16.522 6.935 59.262 1.00 10.34 ? 62 LEU A HA 1 ATOM 1017 H HB2 . LEU A 1 62 ? 17.092 9.134 59.662 1.00 13.29 ? 62 LEU A HB2 1 ATOM 1018 H HB3 . LEU A 1 62 ? 18.462 8.973 58.893 1.00 13.29 ? 62 LEU A HB3 1 ATOM 1019 H HG . LEU A 1 62 ? 17.275 8.879 56.874 1.00 12.74 ? 62 LEU A HG 1 ATOM 1020 H HD11 . LEU A 1 62 ? 15.056 9.532 56.777 1.00 18.59 ? 62 LEU A HD11 1 ATOM 1021 H HD12 . LEU A 1 62 ? 15.189 8.192 57.590 1.00 18.59 ? 62 LEU A HD12 1 ATOM 1022 H HD13 . LEU A 1 62 ? 14.986 9.555 58.348 1.00 18.59 ? 62 LEU A HD13 1 ATOM 1023 H HD21 . LEU A 1 62 ? 16.784 11.142 56.721 1.00 14.84 ? 62 LEU A HD21 1 ATOM 1024 H HD22 . LEU A 1 62 ? 16.851 11.265 58.288 1.00 14.84 ? 62 LEU A HD22 1 ATOM 1025 H HD23 . LEU A 1 62 ? 18.151 10.927 57.470 1.00 14.84 ? 62 LEU A HD23 1 ATOM 1026 N N . VAL A 1 63 ? 17.003 5.872 57.090 1.00 7.21 ? 63 VAL A N 1 ATOM 1027 C CA . VAL A 1 63 ? 17.266 5.324 55.779 1.00 7.88 ? 63 VAL A CA 1 ATOM 1028 C C . VAL A 1 63 ? 16.611 6.244 54.766 1.00 7.62 ? 63 VAL A C 1 ATOM 1029 O O . VAL A 1 63 ? 15.395 6.499 54.823 1.00 8.91 ? 63 VAL A O 1 ATOM 1030 C CB . VAL A 1 63 ? 16.728 3.887 55.631 1.00 7.06 ? 63 VAL A CB 1 ATOM 1031 C CG1 . VAL A 1 63 ? 17.076 3.354 54.273 1.00 8.65 ? 63 VAL A CG1 1 ATOM 1032 C CG2 . VAL A 1 63 ? 17.303 3.016 56.699 1.00 10.67 ? 63 VAL A CG2 1 ATOM 1033 H H . VAL A 1 63 ? 16.192 5.752 57.351 1.00 8.64 ? 63 VAL A H 1 ATOM 1034 H HA . VAL A 1 63 ? 18.232 5.315 55.614 1.00 9.44 ? 63 VAL A HA 1 ATOM 1035 H HB . VAL A 1 63 ? 15.752 3.891 55.724 1.00 8.46 ? 63 VAL A HB 1 ATOM 1036 H HG11 . VAL A 1 63 ? 16.736 2.460 54.192 1.00 10.37 ? 63 VAL A HG11 1 ATOM 1037 H HG12 . VAL A 1 63 ? 16.677 3.918 53.605 1.00 10.37 ? 63 VAL A HG12 1 ATOM 1038 H HG13 . VAL A 1 63 ? 18.030 3.353 54.173 1.00 10.37 ? 63 VAL A HG13 1 ATOM 1039 H HG21 . VAL A 1 63 ? 16.959 2.126 56.594 1.00 12.79 ? 63 VAL A HG21 1 ATOM 1040 H HG22 . VAL A 1 63 ? 18.259 3.010 56.615 1.00 12.79 ? 63 VAL A HG22 1 ATOM 1041 H HG23 . VAL A 1 63 ? 17.051 3.366 57.557 1.00 12.79 ? 63 VAL A HG23 1 ATOM 1042 N N . TYR A 1 64 ? 17.415 6.761 53.849 1.00 8.11 ? 64 TYR A N 1 ATOM 1043 C CA . TYR A 1 64 ? 17.001 7.856 52.987 1.00 8.30 ? 64 TYR A CA 1 ATOM 1044 C C . TYR A 1 64 ? 17.432 7.593 51.564 1.00 8.67 ? 64 TYR A C 1 ATOM 1045 O O . TYR A 1 64 ? 18.533 7.136 51.318 1.00 10.21 ? 64 TYR A O 1 ATOM 1046 C CB . TYR A 1 64 ? 17.679 9.157 53.476 1.00 10.38 ? 64 TYR A CB 1 ATOM 1047 C CG . TYR A 1 64 ? 17.093 10.453 52.934 1.00 10.89 ? 64 TYR A CG 1 ATOM 1048 C CD1 . TYR A 1 64 ? 15.894 10.945 53.437 1.00 13.29 ? 64 TYR A CD1 1 ATOM 1049 C CD2 . TYR A 1 64 ? 17.734 11.181 51.946 1.00 17.10 ? 64 TYR A CD2 1 ATOM 1050 C CE1 . TYR A 1 64 ? 15.346 12.112 52.980 1.00 17.07 ? 64 TYR A CE1 1 ATOM 1051 C CE2 . TYR A 1 64 ? 17.192 12.387 51.494 1.00 17.28 ? 64 TYR A CE2 1 ATOM 1052 C CZ . TYR A 1 64 ? 15.997 12.823 52.016 1.00 17.97 ? 64 TYR A CZ 1 ATOM 1053 O OH . TYR A 1 64 ? 15.410 14.010 51.581 1.00 23.34 ? 64 TYR A OH 1 ATOM 1054 H H . TYR A 1 64 ? 18.218 6.490 53.704 1.00 9.71 ? 64 TYR A H 1 ATOM 1055 H HA . TYR A 1 64 ? 16.028 7.965 53.017 1.00 9.94 ? 64 TYR A HA 1 ATOM 1056 H HB2 . TYR A 1 64 ? 17.614 9.192 54.443 1.00 12.44 ? 64 TYR A HB2 1 ATOM 1057 H HB3 . TYR A 1 64 ? 18.614 9.131 53.217 1.00 12.44 ? 64 TYR A HB3 1 ATOM 1058 H HD1 . TYR A 1 64 ? 15.450 10.465 54.098 1.00 15.93 ? 64 TYR A HD1 1 ATOM 1059 H HD2 . TYR A 1 64 ? 18.546 10.883 51.605 1.00 20.51 ? 64 TYR A HD2 1 ATOM 1060 H HE1 . TYR A 1 64 ? 14.543 12.423 53.332 1.00 20.47 ? 64 TYR A HE1 1 ATOM 1061 H HE2 . TYR A 1 64 ? 17.620 12.875 50.828 1.00 20.73 ? 64 TYR A HE2 1 ATOM 1062 H HH . TYR A 1 64 ? 15.254 13.967 50.777 1.00 28.00 ? 64 TYR A HH 1 ATOM 1063 N N . LYS A 1 65 ? 16.554 7.867 50.619 1.00 8.68 ? 65 LYS A N 1 ATOM 1064 C CA . LYS A 1 65 ? 16.848 7.695 49.206 1.00 8.54 ? 65 LYS A CA 1 ATOM 1065 C C . LYS A 1 65 ? 17.088 9.042 48.583 1.00 9.79 ? 65 LYS A C 1 ATOM 1066 O O . LYS A 1 65 ? 16.161 9.799 48.380 1.00 11.52 ? 65 LYS A O 1 ATOM 1067 C CB . LYS A 1 65 ? 15.718 6.931 48.504 1.00 10.79 ? 65 LYS A CB 1 ATOM 1068 C CG . LYS A 1 65 ? 16.158 6.571 47.112 1.00 16.33 ? 65 LYS A CG 1 ATOM 1069 C CD . LYS A 1 65 ? 15.442 5.433 46.453 1.00 31.34 ? 65 LYS A CD 1 ATOM 1070 C CE . LYS A 1 65 ? 16.188 5.035 45.166 1.00 18.56 ? 65 LYS A CE 1 ATOM 1071 N NZ . LYS A 1 65 ? 15.272 4.585 44.186 1.00 28.48 ? 65 LYS A NZ 1 ATOM 1072 H H . LYS A 1 65 ? 15.761 8.163 50.772 1.00 10.41 ? 65 LYS A H 1 ATOM 1073 H HA . LYS A 1 65 ? 17.669 7.169 49.114 1.00 10.24 ? 65 LYS A HA 1 ATOM 1074 H HB2 . LYS A 1 65 ? 15.523 6.114 48.990 1.00 12.94 ? 65 LYS A HB2 1 ATOM 1075 H HB3 . LYS A 1 65 ? 14.929 7.492 48.446 1.00 12.94 ? 65 LYS A HB3 1 ATOM 1076 H HG2 . LYS A 1 65 ? 16.038 7.350 46.546 1.00 19.58 ? 65 LYS A HG2 1 ATOM 1077 H HG3 . LYS A 1 65 ? 17.099 6.339 47.142 1.00 19.58 ? 65 LYS A HG3 1 ATOM 1078 H HD2 . LYS A 1 65 ? 15.425 4.669 47.051 1.00 37.60 ? 65 LYS A HD2 1 ATOM 1079 H HD3 . LYS A 1 65 ? 14.541 5.705 46.219 1.00 37.60 ? 65 LYS A HD3 1 ATOM 1080 H HE2 . LYS A 1 65 ? 16.661 5.806 44.815 1.00 22.26 ? 65 LYS A HE2 1 ATOM 1081 H HE3 . LYS A 1 65 ? 16.809 4.315 45.361 1.00 22.26 ? 65 LYS A HE3 1 ATOM 1082 H HZ1 . LYS A 1 65 ? 15.742 4.339 43.386 1.00 34.17 ? 65 LYS A HZ1 1 ATOM 1083 H HZ2 . LYS A 1 65 ? 14.791 3.821 44.513 1.00 34.17 ? 65 LYS A HZ2 1 ATOM 1084 H HZ3 . LYS A 1 65 ? 14.646 5.282 43.978 1.00 34.17 ? 65 LYS A HZ3 1 ATOM 1085 N N . GLU A 1 66 ? 18.362 9.292 48.251 1.00 15.38 ? 66 GLU A N 1 ATOM 1086 C CA . GLU A 1 66 ? 18.812 10.581 47.731 1.00 22.16 ? 66 GLU A CA 1 ATOM 1087 C C . GLU A 1 66 ? 18.297 10.854 46.301 1.00 15.16 ? 66 GLU A C 1 ATOM 1088 O O . GLU A 1 66 ? 17.807 11.938 45.937 1.00 18.11 ? 66 GLU A O 1 ATOM 1089 C CB . GLU A 1 66 ? 20.350 10.540 47.680 1.00 23.01 ? 66 GLU A CB 1 ATOM 1090 C CG . GLU A 1 66 ? 21.060 10.151 48.988 1.00 25.40 ? 66 GLU A CG 1 ATOM 1091 C CD . GLU A 1 66 ? 20.970 11.257 50.049 1.00 28.29 ? 66 GLU A CD 1 ATOM 1092 O OE1 . GLU A 1 66 ? 20.450 12.351 49.704 1.00 28.77 ? 66 GLU A OE1 1 ATOM 1093 O OE2 . GLU A 1 66 ? 21.420 11.044 51.217 1.00 23.78 ? 66 GLU A OE2 1 ATOM 1094 H H . GLU A 1 66 ? 18.995 8.714 48.322 1.00 18.45 ? 66 GLU A H 1 ATOM 1095 H HA . GLU A 1 66 ? 18.526 11.307 48.324 1.00 26.58 ? 66 GLU A HA 1 ATOM 1096 H HB2 . GLU A 1 66 ? 20.615 9.896 47.005 1.00 27.59 ? 66 GLU A HB2 1 ATOM 1097 H HB3 . GLU A 1 66 ? 20.670 11.421 47.429 1.00 27.59 ? 66 GLU A HB3 1 ATOM 1098 H HG2 . GLU A 1 66 ? 20.645 9.353 49.349 1.00 30.47 ? 66 GLU A HG2 1 ATOM 1099 H HG3 . GLU A 1 66 ? 21.998 9.986 48.803 1.00 30.47 ? 66 GLU A HG3 1 ATOM 1100 N N . ARG A 1 67 ? 18.379 9.815 45.517 1.00 12.63 ? 67 ARG A N 1 ATOM 1101 C CA . ARG A 1 67 ? 18.091 9.845 44.082 1.00 12.05 ? 67 ARG A CA 1 ATOM 1102 C C . ARG A 1 67 ? 18.175 8.408 43.603 1.00 14.16 ? 67 ARG A C 1 ATOM 1103 O O . ARG A 1 67 ? 18.640 7.511 44.349 1.00 12.10 ? 67 ARG A O 1 ATOM 1104 C CB . ARG A 1 67 ? 19.095 10.710 43.318 1.00 13.28 ? 67 ARG A CB 1 ATOM 1105 C CG . ARG A 1 67 ? 20.532 10.316 43.514 1.00 14.30 ? 67 ARG A CG 1 ATOM 1106 C CD . ARG A 1 67 ? 21.480 11.238 42.717 1.00 18.21 ? 67 ARG A CD 1 ATOM 1107 N NE . ARG A 1 67 ? 21.265 12.619 43.127 1.00 21.58 ? 67 ARG A NE 1 ATOM 1108 C CZ . ARG A 1 67 ? 21.806 13.175 44.200 1.00 23.91 ? 67 ARG A CZ 1 ATOM 1109 N NH1 . ARG A 1 67 ? 22.630 12.490 44.976 1.00 29.95 ? 67 ARG A NH1 1 ATOM 1110 N NH2 . ARG A 1 67 ? 21.522 14.440 44.499 1.00 34.79 ? 67 ARG A NH2 1 ATOM 1111 H H . ARG A 1 67 ? 18.611 9.034 45.794 1.00 15.15 ? 67 ARG A H 1 ATOM 1112 H HA . ARG A 1 67 ? 17.186 10.186 43.925 1.00 14.45 ? 67 ARG A HA 1 ATOM 1113 H HB2 . ARG A 1 67 ? 18.900 10.647 42.370 1.00 15.92 ? 67 ARG A HB2 1 ATOM 1114 H HB3 . ARG A 1 67 ? 19.000 11.629 43.611 1.00 15.92 ? 67 ARG A HB3 1 ATOM 1115 H HG2 . ARG A 1 67 ? 20.758 10.386 44.455 1.00 17.15 ? 67 ARG A HG2 1 ATOM 1116 H HG3 . ARG A 1 67 ? 20.660 9.405 43.204 1.00 17.15 ? 67 ARG A HG3 1 ATOM 1117 H HD2 . ARG A 1 67 ? 22.402 10.998 42.902 1.00 21.84 ? 67 ARG A HD2 1 ATOM 1118 H HD3 . ARG A 1 67 ? 21.290 11.162 41.769 1.00 21.84 ? 67 ARG A HD3 1 ATOM 1119 H HE . ARG A 1 67 ? 20.685 13.169 42.577 1.00 25.88 ? 67 ARG A HE 1 ATOM 1120 H HH11 . ARG A 1 67 ? 22.812 11.670 44.792 1.00 35.93 ? 67 ARG A HH11 1 ATOM 1121 H HH12 . ARG A 1 67 ? 22.979 12.863 45.668 1.00 35.93 ? 67 ARG A HH12 1 ATOM 1122 H HH21 . ARG A 1 67 ? 20.993 14.893 43.995 1.00 41.73 ? 67 ARG A HH21 1 ATOM 1123 H HH22 . ARG A 1 67 ? 21.881 14.809 45.188 1.00 41.73 ? 67 ARG A HH22 1 ATOM 1124 N N . VAL A 1 68 ? 17.725 8.137 42.380 1.00 12.87 ? 68 VAL A N 1 ATOM 1125 C CA . VAL A 1 68 ? 17.793 6.792 41.846 1.00 10.97 ? 68 VAL A CA 1 ATOM 1126 C C . VAL A 1 68 ? 19.242 6.242 41.987 1.00 11.76 ? 68 VAL A C 1 ATOM 1127 O O . VAL A 1 68 ? 20.231 6.942 41.710 1.00 13.82 ? 68 VAL A O 1 ATOM 1128 C CB A VAL A 1 68 ? 17.317 6.712 40.364 0.46 13.51 ? 68 VAL A CB 1 ATOM 1129 C CB B VAL A 1 68 ? 17.291 6.770 40.393 0.54 13.26 ? 68 VAL A CB 1 ATOM 1130 C CG1 A VAL A 1 68 ? 17.785 5.410 39.707 0.46 16.13 ? 68 VAL A CG1 1 ATOM 1131 C CG1 B VAL A 1 68 ? 18.178 7.638 39.524 0.54 13.52 ? 68 VAL A CG1 1 ATOM 1132 C CG2 A VAL A 1 68 ? 15.801 6.844 40.273 0.46 17.00 ? 68 VAL A CG2 1 ATOM 1133 C CG2 B VAL A 1 68 ? 17.207 5.354 39.883 0.54 14.51 ? 68 VAL A CG2 1 ATOM 1134 H H . VAL A 1 68 ? 17.378 8.715 41.846 1.00 15.43 ? 68 VAL A H 1 ATOM 1135 H HA . VAL A 1 68 ? 17.209 6.217 42.382 1.00 13.15 ? 68 VAL A HA 1 ATOM 1136 H HB A VAL A 1 68 ? 17.712 7.457 39.865 0.46 16.21 ? 68 VAL A HB 1 ATOM 1137 H HB B VAL A 1 68 ? 16.388 7.149 40.368 0.54 15.91 ? 68 VAL A HB 1 ATOM 1138 H HG11 A VAL A 1 68 ? 17.477 5.391 38.798 0.46 19.35 ? 68 VAL A HG11 1 ATOM 1139 H HG11 B VAL A 1 68 ? 17.850 7.613 38.622 0.54 16.21 ? 68 VAL A HG11 1 ATOM 1140 H HG12 A VAL A 1 68 ? 18.744 5.376 39.729 0.46 19.35 ? 68 VAL A HG12 1 ATOM 1141 H HG12 B VAL A 1 68 ? 18.155 8.539 39.856 0.54 16.21 ? 68 VAL A HG12 1 ATOM 1142 H HG13 A VAL A 1 68 ? 17.420 4.666 40.193 0.46 19.35 ? 68 VAL A HG13 1 ATOM 1143 H HG13 B VAL A 1 68 ? 19.075 7.299 39.556 0.54 16.21 ? 68 VAL A HG13 1 ATOM 1144 H HG21 A VAL A 1 68 ? 15.538 6.791 39.351 0.46 20.39 ? 68 VAL A HG21 1 ATOM 1145 H HG21 B VAL A 1 68 ? 16.892 5.367 38.976 0.54 17.39 ? 68 VAL A HG21 1 ATOM 1146 H HG22 A VAL A 1 68 ? 15.395 6.130 40.771 0.46 20.39 ? 68 VAL A HG22 1 ATOM 1147 H HG22 B VAL A 1 68 ? 18.080 4.956 39.921 0.54 17.39 ? 68 VAL A HG22 1 ATOM 1148 H HG23 A VAL A 1 68 ? 15.539 7.691 40.640 0.46 20.39 ? 68 VAL A HG23 1 ATOM 1149 H HG23 B VAL A 1 68 ? 16.597 4.859 40.435 0.54 17.39 ? 68 VAL A HG23 1 ATOM 1150 N N . GLY A 1 69 ? 19.329 5.003 42.457 1.00 11.30 ? 69 GLY A N 1 ATOM 1151 C CA . GLY A 1 69 ? 20.599 4.299 42.539 1.00 11.25 ? 69 GLY A CA 1 ATOM 1152 C C . GLY A 1 69 ? 21.446 4.652 43.755 1.00 11.31 ? 69 GLY A C 1 ATOM 1153 O O . GLY A 1 69 ? 22.584 4.204 43.793 1.00 12.80 ? 69 GLY A O 1 ATOM 1154 H H . GLY A 1 69 ? 18.658 4.545 42.737 1.00 13.55 ? 69 GLY A H 1 ATOM 1155 H HA2 . GLY A 1 69 ? 20.429 3.344 42.560 1.00 13.49 ? 69 GLY A HA2 1 ATOM 1156 H HA3 . GLY A 1 69 ? 21.120 4.495 41.745 1.00 13.49 ? 69 GLY A HA3 1 ATOM 1157 N N . GLU A 1 70 ? 20.946 5.447 44.700 1.00 9.37 ? 70 GLU A N 1 ATOM 1158 C CA . GLU A 1 70 ? 21.768 5.891 45.825 1.00 9.15 ? 70 GLU A CA 1 ATOM 1159 C C . GLU A 1 70 ? 21.003 5.798 47.138 1.00 8.39 ? 70 GLU A C 1 ATOM 1160 O O . GLU A 1 70 ? 19.979 6.490 47.318 1.00 10.39 ? 70 GLU A O 1 ATOM 1161 C CB . GLU A 1 70 ? 22.210 7.369 45.650 1.00 11.38 ? 70 GLU A CB 1 ATOM 1162 C CG . GLU A 1 70 ? 23.136 7.546 44.477 1.00 16.31 ? 70 GLU A CG 1 ATOM 1163 C CD . GLU A 1 70 ? 23.735 8.953 44.374 1.00 21.07 ? 70 GLU A CD 1 ATOM 1164 O OE1 . GLU A 1 70 ? 23.490 9.773 45.262 1.00 21.14 ? 70 GLU A OE1 1 ATOM 1165 O OE2 . GLU A 1 70 ? 24.471 9.196 43.381 1.00 29.13 ? 70 GLU A OE2 1 ATOM 1166 H H . GLU A 1 70 ? 20.138 5.742 44.714 1.00 11.23 ? 70 GLU A H 1 ATOM 1167 H HA . GLU A 1 70 ? 22.569 5.330 45.889 1.00 10.97 ? 70 GLU A HA 1 ATOM 1168 H HB2 . GLU A 1 70 ? 21.426 7.920 45.501 1.00 13.65 ? 70 GLU A HB2 1 ATOM 1169 H HB3 . GLU A 1 70 ? 22.676 7.659 46.450 1.00 13.65 ? 70 GLU A HB3 1 ATOM 1170 H HG2 . GLU A 1 70 ? 23.870 6.917 44.559 1.00 19.56 ? 70 GLU A HG2 1 ATOM 1171 H HG3 . GLU A 1 70 ? 22.644 7.373 43.660 1.00 19.56 ? 70 GLU A HG3 1 ATOM 1172 N N . TYR A 1 71 ? 21.547 5.024 48.076 1.00 6.60 ? 71 TYR A N 1 ATOM 1173 C CA . TYR A 1 71 ? 20.913 4.775 49.360 1.00 7.63 ? 71 TYR A CA 1 ATOM 1174 C C . TYR A 1 71 ? 21.782 5.275 50.475 1.00 7.63 ? 71 TYR A C 1 ATOM 1175 O O . TYR A 1 71 ? 22.994 5.047 50.459 1.00 8.02 ? 71 TYR A O 1 ATOM 1176 C CB . TYR A 1 71 ? 20.663 3.272 49.545 1.00 9.44 ? 71 TYR A CB 1 ATOM 1177 C CG . TYR A 1 71 ? 19.631 2.743 48.589 1.00 10.49 ? 71 TYR A CG 1 ATOM 1178 C CD1 . TYR A 1 71 ? 19.978 2.352 47.305 1.00 9.12 ? 71 TYR A CD1 1 ATOM 1179 C CD2 . TYR A 1 71 ? 18.316 2.681 48.975 1.00 11.30 ? 71 TYR A CD2 1 ATOM 1180 C CE1 . TYR A 1 71 ? 19.004 1.897 46.402 1.00 9.66 ? 71 TYR A CE1 1 ATOM 1181 C CE2 . TYR A 1 71 ? 17.337 2.243 48.087 1.00 11.76 ? 71 TYR A CE2 1 ATOM 1182 C CZ . TYR A 1 71 ? 17.706 1.846 46.813 1.00 10.92 ? 71 TYR A CZ 1 ATOM 1183 O OH . TYR A 1 71 ? 16.728 1.423 45.942 1.00 11.92 ? 71 TYR A OH 1 ATOM 1184 H H . TYR A 1 71 ? 22.303 4.623 47.984 1.00 7.90 ? 71 TYR A H 1 ATOM 1185 H HA . TYR A 1 71 ? 20.053 5.243 49.399 1.00 9.15 ? 71 TYR A HA 1 ATOM 1186 H HB2 . TYR A 1 71 ? 21.491 2.791 49.391 1.00 11.31 ? 71 TYR A HB2 1 ATOM 1187 H HB3 . TYR A 1 71 ? 20.348 3.111 50.448 1.00 11.31 ? 71 TYR A HB3 1 ATOM 1188 H HD1 . TYR A 1 71 ? 20.867 2.399 47.036 1.00 10.93 ? 71 TYR A HD1 1 ATOM 1189 H HD2 . TYR A 1 71 ? 18.072 2.958 49.828 1.00 13.55 ? 71 TYR A HD2 1 ATOM 1190 H HE1 . TYR A 1 71 ? 19.239 1.636 45.542 1.00 11.57 ? 71 TYR A HE1 1 ATOM 1191 H HE2 . TYR A 1 71 ? 16.447 2.202 48.352 1.00 14.10 ? 71 TYR A HE2 1 ATOM 1192 H HH . TYR A 1 71 ? 16.885 0.657 45.695 1.00 14.29 ? 71 TYR A HH 1 ATOM 1193 N N . SER A 1 72 ? 21.175 5.997 51.427 1.00 7.16 ? 72 SER A N 1 ATOM 1194 C CA . SER A 1 72 ? 21.910 6.516 52.573 1.00 8.17 ? 72 SER A CA 1 ATOM 1195 C C . SER A 1 72 ? 21.396 6.003 53.892 1.00 6.84 ? 72 SER A C 1 ATOM 1196 O O . SER A 1 72 ? 20.197 5.799 54.077 1.00 8.17 ? 72 SER A O 1 ATOM 1197 C CB . SER A 1 72 ? 21.829 8.037 52.612 1.00 10.80 ? 72 SER A CB 1 ATOM 1198 O OG . SER A 1 72 ? 22.411 8.602 51.434 1.00 11.74 ? 72 SER A OG 1 ATOM 1199 H H . SER A 1 72 ? 20.338 6.196 51.426 1.00 8.58 ? 72 SER A H 1 ATOM 1200 H HA . SER A 1 72 ? 22.853 6.262 52.493 1.00 9.79 ? 72 SER A HA 1 ATOM 1201 H HB2 . SER A 1 72 ? 20.898 8.303 52.664 1.00 12.95 ? 72 SER A HB2 1 ATOM 1202 H HB3 . SER A 1 72 ? 22.311 8.360 53.390 1.00 12.95 ? 72 SER A HB3 1 ATOM 1203 H HG . SER A 1 72 ? 22.364 9.420 51.462 1.00 14.08 ? 72 SER A HG 1 ATOM 1204 N N . LEU A 1 73 ? 22.327 5.812 54.805 1.00 6.70 ? 73 LEU A N 1 ATOM 1205 C CA . LEU A 1 73 ? 22.032 5.494 56.191 1.00 6.68 ? 73 LEU A CA 1 ATOM 1206 C C . LEU A 1 73 ? 22.629 6.589 57.050 1.00 6.97 ? 73 LEU A C 1 ATOM 1207 O O . LEU A 1 73 ? 23.821 6.897 56.933 1.00 7.57 ? 73 LEU A O 1 ATOM 1208 C CB . LEU A 1 73 ? 22.643 4.157 56.580 1.00 7.56 ? 73 LEU A CB 1 ATOM 1209 C CG . LEU A 1 73 ? 22.543 3.803 58.067 1.00 7.45 ? 73 LEU A CG 1 ATOM 1210 C CD1 . LEU A 1 73 ? 21.081 3.513 58.430 1.00 9.80 ? 73 LEU A CD1 1 ATOM 1211 C CD2 . LEU A 1 73 ? 23.395 2.604 58.431 1.00 8.16 ? 73 LEU A CD2 1 ATOM 1212 H H . LEU A 1 73 ? 23.170 5.863 54.640 1.00 8.02 ? 73 LEU A H 1 ATOM 1213 H HA . LEU A 1 73 ? 21.063 5.462 56.334 1.00 8.00 ? 73 LEU A HA 1 ATOM 1214 H HB2 . LEU A 1 73 ? 22.193 3.456 56.082 1.00 9.06 ? 73 LEU A HB2 1 ATOM 1215 H HB3 . LEU A 1 73 ? 23.584 4.168 56.345 1.00 9.06 ? 73 LEU A HB3 1 ATOM 1216 H HG . LEU A 1 73 ? 22.842 4.560 58.596 1.00 8.93 ? 73 LEU A HG 1 ATOM 1217 H HD11 . LEU A 1 73 ? 21.029 3.292 59.363 1.00 11.75 ? 73 LEU A HD11 1 ATOM 1218 H HD12 . LEU A 1 73 ? 20.553 4.293 58.247 1.00 11.75 ? 73 LEU A HD12 1 ATOM 1219 H HD13 . LEU A 1 73 ? 20.769 2.775 57.901 1.00 11.75 ? 73 LEU A HD13 1 ATOM 1220 H HD21 . LEU A 1 73 ? 23.297 2.425 59.369 1.00 9.78 ? 73 LEU A HD21 1 ATOM 1221 H HD22 . LEU A 1 73 ? 23.101 1.846 57.921 1.00 9.78 ? 73 LEU A HD22 1 ATOM 1222 H HD23 . LEU A 1 73 ? 24.313 2.800 58.229 1.00 9.78 ? 73 LEU A HD23 1 ATOM 1223 N N . TYR A 1 74 ? 21.792 7.173 57.924 1.00 6.91 ? 74 TYR A N 1 ATOM 1224 C CA . TYR A 1 74 ? 22.272 8.049 58.968 1.00 7.00 ? 74 TYR A CA 1 ATOM 1225 C C . TYR A 1 74 ? 22.246 7.328 60.288 1.00 9.16 ? 74 TYR A C 1 ATOM 1226 O O . TYR A 1 74 ? 21.278 6.628 60.615 1.00 9.47 ? 74 TYR A O 1 ATOM 1227 C CB . TYR A 1 74 ? 21.369 9.267 59.096 1.00 9.65 ? 74 TYR A CB 1 ATOM 1228 C CG . TYR A 1 74 ? 21.373 10.219 57.941 1.00 10.52 ? 74 TYR A CG 1 ATOM 1229 C CD1 . TYR A 1 74 ? 20.786 9.899 56.751 1.00 10.07 ? 74 TYR A CD1 1 ATOM 1230 C CD2 . TYR A 1 74 ? 21.917 11.492 58.084 1.00 14.24 ? 74 TYR A CD2 1 ATOM 1231 C CE1 . TYR A 1 74 ? 20.769 10.800 55.687 1.00 12.93 ? 74 TYR A CE1 1 ATOM 1232 C CE2 . TYR A 1 74 ? 21.905 12.392 57.043 1.00 16.61 ? 74 TYR A CE2 1 ATOM 1233 C CZ . TYR A 1 74 ? 21.330 12.049 55.852 1.00 17.33 ? 74 TYR A CZ 1 ATOM 1234 O OH . TYR A 1 74 ? 21.303 12.957 54.812 1.00 22.28 ? 74 TYR A OH 1 ATOM 1235 H H . TYR A 1 74 ? 20.939 7.067 57.922 1.00 8.28 ? 74 TYR A H 1 ATOM 1236 H HA . TYR A 1 74 ? 23.187 8.341 58.774 1.00 8.38 ? 74 TYR A HA 1 ATOM 1237 H HB2 . TYR A 1 74 ? 20.456 8.958 59.211 1.00 11.57 ? 74 TYR A HB2 1 ATOM 1238 H HB3 . TYR A 1 74 ? 21.641 9.766 59.882 1.00 11.57 ? 74 TYR A HB3 1 ATOM 1239 H HD1 . TYR A 1 74 ? 20.408 9.057 56.641 1.00 12.07 ? 74 TYR A HD1 1 ATOM 1240 H HD2 . TYR A 1 74 ? 22.309 11.733 58.892 1.00 17.08 ? 74 TYR A HD2 1 ATOM 1241 H HE1 . TYR A 1 74 ? 20.374 10.565 54.878 1.00 15.50 ? 74 TYR A HE1 1 ATOM 1242 H HE2 . TYR A 1 74 ? 22.282 13.235 57.153 1.00 19.92 ? 74 TYR A HE2 1 ATOM 1243 H HH . TYR A 1 74 ? 22.068 13.164 54.602 1.00 26.72 ? 74 TYR A HH 1 ATOM 1244 N N . ILE A 1 75 ? 23.326 7.472 61.055 1.00 9.21 ? 75 ILE A N 1 ATOM 1245 C CA . ILE A 1 75 ? 23.413 7.014 62.437 1.00 9.95 ? 75 ILE A CA 1 ATOM 1246 C C . ILE A 1 75 ? 23.853 8.221 63.251 1.00 10.37 ? 75 ILE A C 1 ATOM 1247 O O . ILE A 1 75 ? 24.956 8.760 63.075 1.00 11.52 ? 75 ILE A O 1 ATOM 1248 C CB . ILE A 1 75 ? 24.412 5.856 62.637 1.00 10.00 ? 75 ILE A CB 1 ATOM 1249 C CG1 . ILE A 1 75 ? 24.070 4.594 61.790 1.00 12.35 ? 75 ILE A CG1 1 ATOM 1250 C CG2 . ILE A 1 75 ? 24.525 5.502 64.108 1.00 13.06 ? 75 ILE A CG2 1 ATOM 1251 C CD1 . ILE A 1 75 ? 22.777 3.836 62.173 1.00 16.23 ? 75 ILE A CD1 1 ATOM 1252 H H . ILE A 1 75 ? 24.050 7.849 60.783 1.00 11.04 ? 75 ILE A H 1 ATOM 1253 H HA . ILE A 1 75 ? 22.530 6.727 62.749 1.00 11.93 ? 75 ILE A HA 1 ATOM 1254 H HB . ILE A 1 75 ? 25.283 6.172 62.347 1.00 11.99 ? 75 ILE A HB 1 ATOM 1255 H HG12 . ILE A 1 75 ? 23.979 4.866 60.863 1.00 14.81 ? 75 ILE A HG12 1 ATOM 1256 H HG13 . ILE A 1 75 ? 24.805 3.967 61.869 1.00 14.81 ? 75 ILE A HG13 1 ATOM 1257 H HG21 . ILE A 1 75 ? 25.150 4.781 64.209 1.00 15.66 ? 75 ILE A HG21 1 ATOM 1258 H HG22 . ILE A 1 75 ? 24.832 6.272 64.592 1.00 15.66 ? 75 ILE A HG22 1 ATOM 1259 H HG23 . ILE A 1 75 ? 23.661 5.234 64.432 1.00 15.66 ? 75 ILE A HG23 1 ATOM 1260 H HD11 . ILE A 1 75 ? 22.671 3.083 61.587 1.00 19.47 ? 75 ILE A HD11 1 ATOM 1261 H HD12 . ILE A 1 75 ? 22.849 3.536 63.082 1.00 19.47 ? 75 ILE A HD12 1 ATOM 1262 H HD13 . ILE A 1 75 ? 22.028 4.430 62.082 1.00 19.47 ? 75 ILE A HD13 1 ATOM 1263 N N . GLY A 1 76 ? 22.991 8.662 64.162 1.00 13.05 ? 76 GLY A N 1 ATOM 1264 C CA . GLY A 1 76 ? 23.366 9.783 64.997 1.00 13.41 ? 76 GLY A CA 1 ATOM 1265 C C . GLY A 1 76 ? 23.839 10.977 64.202 1.00 11.93 ? 76 GLY A C 1 ATOM 1266 O O . GLY A 1 76 ? 24.838 11.612 64.563 1.00 12.87 ? 76 GLY A O 1 ATOM 1267 H H . GLY A 1 76 ? 22.208 8.338 64.310 1.00 15.64 ? 76 GLY A H 1 ATOM 1268 H HA2 . GLY A 1 76 ? 22.604 10.055 65.532 1.00 16.08 ? 76 GLY A HA2 1 ATOM 1269 H HA3 . GLY A 1 76 ? 24.080 9.513 65.596 1.00 16.08 ? 76 GLY A HA3 1 ATOM 1270 N N . ARG A 1 77 ? 23.119 11.305 63.131 1.00 12.81 ? 77 ARG A N 1 ATOM 1271 C CA . ARG A 1 77 ? 23.393 12.485 62.325 1.00 14.30 ? 77 ARG A CA 1 ATOM 1272 C C . ARG A 1 77 ? 24.558 12.366 61.340 1.00 14.25 ? 77 ARG A C 1 ATOM 1273 O O . ARG A 1 77 ? 24.696 13.195 60.458 1.00 24.49 ? 77 ARG A O 1 ATOM 1274 C CB . ARG A 1 77 ? 23.596 13.711 63.229 1.00 26.16 ? 77 ARG A CB 1 ATOM 1275 C CG . ARG A 1 77 ? 22.311 14.151 63.870 1.00 40.64 ? 77 ARG A CG 1 ATOM 1276 C CD . ARG A 1 77 ? 21.547 14.976 62.869 1.00 51.51 ? 77 ARG A CD 1 ATOM 1277 N NE . ARG A 1 77 ? 22.202 16.261 62.652 1.00 58.96 ? 77 ARG A NE 1 ATOM 1278 C CZ . ARG A 1 77 ? 21.784 17.399 63.184 1.00 49.25 ? 77 ARG A CZ 1 ATOM 1279 N NH1 . ARG A 1 77 ? 20.701 17.410 63.958 1.00 32.40 ? 77 ARG A NH1 1 ATOM 1280 N NH2 . ARG A 1 77 ? 22.439 18.515 62.931 1.00 54.72 ? 77 ARG A NH2 1 ATOM 1281 H H . ARG A 1 77 ? 22.449 10.846 62.847 1.00 15.36 ? 77 ARG A H 1 ATOM 1282 H HA . ARG A 1 77 ? 22.594 12.664 61.787 1.00 17.15 ? 77 ARG A HA 1 ATOM 1283 H HB2 . ARG A 1 77 ? 24.225 13.488 63.932 1.00 31.37 ? 77 ARG A HB2 1 ATOM 1284 H HB3 . ARG A 1 77 ? 23.936 14.447 62.696 1.00 31.37 ? 77 ARG A HB3 1 ATOM 1285 H HG2 . ARG A 1 77 ? 21.779 13.376 64.111 1.00 48.76 ? 77 ARG A HG2 1 ATOM 1286 H HG3 . ARG A 1 77 ? 22.501 14.697 64.649 1.00 48.76 ? 77 ARG A HG3 1 ATOM 1287 H HD2 . ARG A 1 77 ? 21.510 14.504 62.023 1.00 61.80 ? 77 ARG A HD2 1 ATOM 1288 H HD3 . ARG A 1 77 ? 20.651 15.141 63.204 1.00 61.80 ? 77 ARG A HD3 1 ATOM 1289 H HE . ARG A 1 77 ? 22.914 16.303 61.994 1.00 70.74 ? 77 ARG A HE 1 ATOM 1290 H HH11 . ARG A 1 77 ? 20.278 16.678 64.117 1.00 38.87 ? 77 ARG A HH11 1 ATOM 1291 H HH12 . ARG A 1 77 ? 20.427 18.148 64.303 1.00 38.87 ? 77 ARG A HH12 1 ATOM 1292 H HH21 . ARG A 1 77 ? 23.137 18.499 62.428 1.00 65.66 ? 77 ARG A HH21 1 ATOM 1293 H HH22 . ARG A 1 77 ? 22.171 19.257 63.272 1.00 65.66 ? 77 ARG A HH22 1 ATOM 1294 N N . HIS A 1 78 ? 25.352 11.311 61.453 1.00 11.18 ? 78 HIS A N 1 ATOM 1295 C CA . HIS A 1 78 ? 26.433 11.036 60.525 1.00 11.47 ? 78 HIS A CA 1 ATOM 1296 C C . HIS A 1 78 ? 25.826 10.178 59.414 1.00 10.54 ? 78 HIS A C 1 ATOM 1297 O O . HIS A 1 78 ? 24.875 9.456 59.667 1.00 11.19 ? 78 HIS A O 1 ATOM 1298 C CB . HIS A 1 78 ? 27.545 10.248 61.197 1.00 12.60 ? 78 HIS A CB 1 ATOM 1299 C CG . HIS A 1 78 ? 28.264 10.965 62.315 1.00 11.72 ? 78 HIS A CG 1 ATOM 1300 N ND1 . HIS A 1 78 ? 29.453 10.498 62.835 1.00 16.55 ? 78 HIS A ND1 1 ATOM 1301 C CD2 . HIS A 1 78 ? 27.934 12.054 63.044 1.00 16.46 ? 78 HIS A CD2 1 ATOM 1302 C CE1 . HIS A 1 78 ? 29.848 11.297 63.816 1.00 16.16 ? 78 HIS A CE1 1 ATOM 1303 N NE2 . HIS A 1 78 ? 28.943 12.246 63.965 1.00 14.85 ? 78 HIS A NE2 1 ATOM 1304 H H . HIS A 1 78 ? 25.281 10.725 62.078 1.00 13.41 ? 78 HIS A H 1 ATOM 1305 H HA . HIS A 1 78 ? 26.791 11.867 60.148 1.00 13.76 ? 78 HIS A HA 1 ATOM 1306 H HB2 . HIS A 1 78 ? 27.165 9.436 61.568 1.00 15.11 ? 78 HIS A HB2 1 ATOM 1307 H HB3 . HIS A 1 78 ? 28.207 10.018 60.526 1.00 15.11 ? 78 HIS A HB3 1 ATOM 1308 H HD2 . HIS A 1 78 ? 27.179 12.585 62.934 1.00 19.74 ? 78 HIS A HD2 1 ATOM 1309 H HE1 . HIS A 1 78 ? 30.626 11.201 64.316 1.00 19.38 ? 78 HIS A HE1 1 ATOM 1310 H HE2 . HIS A 1 78 ? 28.979 12.884 64.541 1.00 17.81 ? 78 HIS A HE2 1 ATOM 1311 N N . LYS A 1 79 ? 26.357 10.241 58.201 1.00 11.83 ? 79 LYS A N 1 ATOM 1312 C CA . LYS A 1 79 ? 25.777 9.465 57.101 1.00 10.90 ? 79 LYS A CA 1 ATOM 1313 C C . LYS A 1 79 ? 26.814 8.775 56.247 1.00 11.28 ? 79 LYS A C 1 ATOM 1314 O O . LYS A 1 79 ? 27.997 9.175 56.151 1.00 12.14 ? 79 LYS A O 1 ATOM 1315 C CB . LYS A 1 79 ? 24.852 10.293 56.220 1.00 20.64 ? 79 LYS A CB 1 ATOM 1316 C CG . LYS A 1 79 ? 25.568 11.322 55.464 1.00 23.76 ? 79 LYS A CG 1 ATOM 1317 C CD . LYS A 1 79 ? 24.624 12.197 54.653 1.00 25.09 ? 79 LYS A CD 1 ATOM 1318 C CE . LYS A 1 79 ? 24.048 11.441 53.484 1.00 25.68 ? 79 LYS A CE 1 ATOM 1319 N NZ . LYS A 1 79 ? 23.458 12.403 52.499 1.00 38.24 ? 79 LYS A NZ 1 ATOM 1320 H H . LYS A 1 79 ? 27.040 10.716 57.986 1.00 14.19 ? 79 LYS A H 1 ATOM 1321 H HA . LYS A 1 79 ? 25.227 8.757 57.497 1.00 13.07 ? 79 LYS A HA 1 ATOM 1322 H HB2 . LYS A 1 79 ? 24.410 9.707 55.586 1.00 24.76 ? 79 LYS A HB2 1 ATOM 1323 H HB3 . LYS A 1 79 ? 24.194 10.735 56.779 1.00 24.76 ? 79 LYS A HB3 1 ATOM 1324 H HG2 . LYS A 1 79 ? 26.052 11.892 56.082 1.00 28.50 ? 79 LYS A HG2 1 ATOM 1325 H HG3 . LYS A 1 79 ? 26.185 10.894 54.851 1.00 28.50 ? 79 LYS A HG3 1 ATOM 1326 H HD2 . LYS A 1 79 ? 23.892 12.488 55.219 1.00 30.09 ? 79 LYS A HD2 1 ATOM 1327 H HD3 . LYS A 1 79 ? 25.111 12.962 54.311 1.00 30.09 ? 79 LYS A HD3 1 ATOM 1328 H HE2 . LYS A 1 79 ? 24.750 10.939 53.043 1.00 30.81 ? 79 LYS A HE2 1 ATOM 1329 H HE3 . LYS A 1 79 ? 23.346 10.847 53.795 1.00 30.81 ? 79 LYS A HE3 1 ATOM 1330 H HZ1 . LYS A 1 79 ? 22.760 12.914 52.917 1.00 45.87 ? 79 LYS A HZ1 1 ATOM 1331 H HZ2 . LYS A 1 79 ? 24.136 13.004 52.181 1.00 45.87 ? 79 LYS A HZ2 1 ATOM 1332 H HZ3 . LYS A 1 79 ? 23.090 11.924 51.753 1.00 45.87 ? 79 LYS A HZ3 1 ATOM 1333 N N . VAL A 1 80 ? 26.353 7.679 55.641 1.00 9.30 ? 80 VAL A N 1 ATOM 1334 C CA . VAL A 1 80 ? 27.055 7.022 54.557 1.00 7.52 ? 80 VAL A CA 1 ATOM 1335 C C . VAL A 1 80 ? 26.078 6.807 53.428 1.00 7.04 ? 80 VAL A C 1 ATOM 1336 O O . VAL A 1 80 ? 24.868 6.716 53.643 1.00 9.32 ? 80 VAL A O 1 ATOM 1337 C CB . VAL A 1 80 ? 27.673 5.690 54.959 1.00 8.94 ? 80 VAL A CB 1 ATOM 1338 C CG1 . VAL A 1 80 ? 28.847 5.949 55.950 1.00 13.28 ? 80 VAL A CG1 1 ATOM 1339 C CG2 . VAL A 1 80 ? 26.633 4.707 55.524 1.00 10.45 ? 80 VAL A CG2 1 ATOM 1340 H H . VAL A 1 80 ? 25.614 7.293 55.853 1.00 11.15 ? 80 VAL A H 1 ATOM 1341 H HA . VAL A 1 80 ? 27.772 7.607 54.236 1.00 9.01 ? 80 VAL A HA 1 ATOM 1342 H HB . VAL A 1 80 ? 28.056 5.276 54.158 1.00 10.72 ? 80 VAL A HB 1 ATOM 1343 H HG11 . VAL A 1 80 ? 29.234 5.107 56.202 1.00 15.92 ? 80 VAL A HG11 1 ATOM 1344 H HG12 . VAL A 1 80 ? 29.505 6.497 55.517 1.00 15.92 ? 80 VAL A HG12 1 ATOM 1345 H HG13 . VAL A 1 80 ? 28.506 6.398 56.727 1.00 15.92 ? 80 VAL A HG13 1 ATOM 1346 H HG21 . VAL A 1 80 ? 27.074 3.887 55.760 1.00 12.52 ? 80 VAL A HG21 1 ATOM 1347 H HG22 . VAL A 1 80 ? 26.226 5.095 56.302 1.00 12.52 ? 80 VAL A HG22 1 ATOM 1348 H HG23 . VAL A 1 80 ? 25.966 4.539 54.854 1.00 12.52 ? 80 VAL A HG23 1 ATOM 1349 N N . THR A 1 81 ? 26.626 6.673 52.222 1.00 8.35 ? 81 THR A N 1 ATOM 1350 C CA . THR A 1 81 ? 25.816 6.486 51.018 1.00 8.15 ? 81 THR A CA 1 ATOM 1351 C C . THR A 1 81 ? 26.512 5.452 50.150 1.00 8.44 ? 81 THR A C 1 ATOM 1352 O O . THR A 1 81 ? 27.728 5.503 49.972 1.00 9.16 ? 81 THR A O 1 ATOM 1353 C CB . THR A 1 81 ? 25.730 7.772 50.217 1.00 9.66 ? 81 THR A CB 1 ATOM 1354 O OG1 . THR A 1 81 ? 25.163 8.803 51.042 1.00 12.44 ? 81 THR A OG1 1 ATOM 1355 C CG2 . THR A 1 81 ? 24.895 7.603 48.953 1.00 9.90 ? 81 THR A CG2 1 ATOM 1356 H H . THR A 1 81 ? 27.472 6.686 52.072 1.00 10.01 ? 81 THR A H 1 ATOM 1357 H HA . THR A 1 81 ? 24.915 6.176 51.248 1.00 9.76 ? 81 THR A HA 1 ATOM 1358 H HB . THR A 1 81 ? 26.624 8.038 49.951 1.00 11.58 ? 81 THR A HB 1 ATOM 1359 H HG1 . THR A 1 81 ? 24.411 8.583 51.288 1.00 14.92 ? 81 THR A HG1 1 ATOM 1360 H HG21 . THR A 1 81 ? 24.860 8.431 48.470 1.00 11.86 ? 81 THR A HG21 1 ATOM 1361 H HG22 . THR A 1 81 ? 25.285 6.929 48.391 1.00 11.86 ? 81 THR A HG22 1 ATOM 1362 H HG23 . THR A 1 81 ? 24.002 7.338 49.184 1.00 11.86 ? 81 THR A HG23 1 ATOM 1363 N N . SER A 1 82 ? 25.744 4.520 49.583 1.00 6.87 ? 82 SER A N 1 ATOM 1364 C CA . SER A 1 82 ? 26.289 3.595 48.626 1.00 6.89 ? 82 SER A CA 1 ATOM 1365 C C . SER A 1 82 ? 25.383 3.503 47.391 1.00 7.36 ? 82 SER A C 1 ATOM 1366 O O . SER A 1 82 ? 24.191 3.816 47.436 1.00 8.00 ? 82 SER A O 1 ATOM 1367 C CB . SER A 1 82 ? 26.587 2.207 49.193 1.00 14.48 ? 82 SER A CB 1 ATOM 1368 O OG . SER A 1 82 ? 27.816 2.235 49.956 1.00 14.55 ? 82 SER A OG 1 ATOM 1369 H H . SER A 1 82 ? 24.907 4.411 49.743 1.00 8.23 ? 82 SER A H 1 ATOM 1370 H HA . SER A 1 82 ? 27.145 3.960 48.318 1.00 8.25 ? 82 SER A HA 1 ATOM 1371 H HB2 . SER A 1 82 ? 25.859 1.938 49.773 1.00 17.37 ? 82 SER A HB2 1 ATOM 1372 H HB3 . SER A 1 82 ? 26.682 1.578 48.461 1.00 17.37 ? 82 SER A HB3 1 ATOM 1373 H HG . SER A 1 82 ? 27.975 1.490 50.260 1.00 17.45 ? 82 SER A HG 1 ATOM 1374 N N . LYS A 1 83 ? 26.000 3.125 46.278 1.00 7.24 ? 83 LYS A N 1 ATOM 1375 C CA . LYS A 1 83 ? 25.365 3.177 44.966 1.00 7.27 ? 83 LYS A CA 1 ATOM 1376 C C . LYS A 1 83 ? 25.072 1.803 44.418 1.00 7.30 ? 83 LYS A C 1 ATOM 1377 O O . LYS A 1 83 ? 25.746 0.811 44.723 1.00 7.67 ? 83 LYS A O 1 ATOM 1378 C CB . LYS A 1 83 ? 26.282 3.922 43.964 1.00 7.81 ? 83 LYS A CB 1 ATOM 1379 C CG . LYS A 1 83 ? 26.573 5.311 44.392 1.00 11.59 ? 83 LYS A CG 1 ATOM 1380 C CD . LYS A 1 83 ? 27.398 6.099 43.370 1.00 20.40 ? 83 LYS A CD 1 ATOM 1381 C CE . LYS A 1 83 ? 27.463 7.553 43.854 1.00 26.94 ? 83 LYS A CE 1 ATOM 1382 N NZ . LYS A 1 83 ? 27.826 8.513 42.787 1.00 27.53 ? 83 LYS A NZ 1 ATOM 1383 H H . LYS A 1 83 ? 26.807 2.827 46.256 1.00 8.68 ? 83 LYS A H 1 ATOM 1384 H HA . LYS A 1 83 ? 24.520 3.668 45.034 1.00 8.72 ? 83 LYS A HA 1 ATOM 1385 H HB2 . LYS A 1 83 ? 27.124 3.447 43.890 1.00 9.36 ? 83 LYS A HB2 1 ATOM 1386 H HB3 . LYS A 1 83 ? 25.844 3.959 43.099 1.00 9.36 ? 83 LYS A HB3 1 ATOM 1387 H HG2 . LYS A 1 83 ? 25.735 5.781 44.526 1.00 13.90 ? 83 LYS A HG2 1 ATOM 1388 H HG3 . LYS A 1 83 ? 27.073 5.285 45.223 1.00 13.90 ? 83 LYS A HG3 1 ATOM 1389 H HD2 . LYS A 1 83 ? 28.299 5.742 43.322 1.00 24.46 ? 83 LYS A HD2 1 ATOM 1390 H HD3 . LYS A 1 83 ? 26.965 6.073 42.502 1.00 24.46 ? 83 LYS A HD3 1 ATOM 1391 H HE2 . LYS A 1 83 ? 26.593 7.808 44.199 1.00 32.32 ? 83 LYS A HE2 1 ATOM 1392 H HE3 . LYS A 1 83 ? 28.129 7.621 44.555 1.00 32.32 ? 83 LYS A HE3 1 ATOM 1393 H HZ1 . LYS A 1 83 ? 27.852 9.404 43.142 1.00 33.03 ? 83 LYS A HZ1 1 ATOM 1394 H HZ2 . LYS A 1 83 ? 28.690 8.294 42.430 1.00 33.03 ? 83 LYS A HZ2 1 ATOM 1395 H HZ3 . LYS A 1 83 ? 27.178 8.477 42.079 1.00 33.03 ? 83 LYS A HZ3 1 ATOM 1396 N N . VAL A 1 84 ? 24.101 1.748 43.525 1.00 7.45 ? 84 VAL A N 1 ATOM 1397 C CA . VAL A 1 84 ? 23.720 0.495 42.919 1.00 7.58 ? 84 VAL A CA 1 ATOM 1398 C C . VAL A 1 84 ? 23.096 0.790 41.555 1.00 7.86 ? 84 VAL A C 1 ATOM 1399 O O . VAL A 1 84 ? 22.477 1.854 41.332 1.00 9.69 ? 84 VAL A O 1 ATOM 1400 C CB . VAL A 1 84 ? 22.722 -0.282 43.802 1.00 8.36 ? 84 VAL A CB 1 ATOM 1401 C CG1 . VAL A 1 84 ? 21.391 0.428 43.885 1.00 9.12 ? 84 VAL A CG1 1 ATOM 1402 C CG2 . VAL A 1 84 ? 22.528 -1.714 43.292 1.00 12.65 ? 84 VAL A CG2 1 ATOM 1403 H H . VAL A 1 84 ? 23.648 2.426 43.253 1.00 8.93 ? 84 VAL A H 1 ATOM 1404 H HA . VAL A 1 84 ? 24.516 -0.061 42.785 1.00 9.08 ? 84 VAL A HA 1 ATOM 1405 H HB . VAL A 1 84 ? 23.085 -0.337 44.710 1.00 10.02 ? 84 VAL A HB 1 ATOM 1406 H HG11 . VAL A 1 84 ? 20.799 -0.084 44.440 1.00 10.93 ? 84 VAL A HG11 1 ATOM 1407 H HG12 . VAL A 1 84 ? 21.526 1.299 44.264 1.00 10.93 ? 84 VAL A HG12 1 ATOM 1408 H HG13 . VAL A 1 84 ? 21.025 0.508 43.001 1.00 10.93 ? 84 VAL A HG13 1 ATOM 1409 H HG21 . VAL A 1 84 ? 21.903 -2.167 43.863 1.00 15.17 ? 84 VAL A HG21 1 ATOM 1410 H HG22 . VAL A 1 84 ? 22.189 -1.683 42.394 1.00 15.17 ? 84 VAL A HG22 1 ATOM 1411 H HG23 . VAL A 1 84 ? 23.374 -2.168 43.307 1.00 15.17 ? 84 VAL A HG23 1 ATOM 1412 N N . ILE A 1 85 ? 23.228 -0.176 40.646 1.00 8.68 ? 85 ILE A N 1 ATOM 1413 C CA . ILE A 1 85 ? 22.505 -0.166 39.385 1.00 8.13 ? 85 ILE A CA 1 ATOM 1414 C C . ILE A 1 85 ? 21.058 -0.642 39.628 1.00 8.57 ? 85 ILE A C 1 ATOM 1415 O O . ILE A 1 85 ? 20.854 -1.749 40.112 1.00 11.00 ? 85 ILE A O 1 ATOM 1416 C CB . ILE A 1 85 ? 23.172 -1.103 38.366 1.00 10.10 ? 85 ILE A CB 1 ATOM 1417 C CG1 . ILE A 1 85 ? 24.626 -0.668 38.068 1.00 16.11 ? 85 ILE A CG1 1 ATOM 1418 C CG2 . ILE A 1 85 ? 22.340 -1.139 37.086 1.00 14.44 ? 85 ILE A CG2 1 ATOM 1419 C CD1 . ILE A 1 85 ? 25.427 -1.746 37.374 1.00 14.80 ? 85 ILE A CD1 1 ATOM 1420 H H . ILE A 1 85 ? 23.740 -0.860 40.744 1.00 10.41 ? 85 ILE A H 1 ATOM 1421 H HA . ILE A 1 85 ? 22.484 0.742 39.017 1.00 9.74 ? 85 ILE A HA 1 ATOM 1422 H HB . ILE A 1 85 ? 23.192 -1.997 38.742 1.00 12.11 ? 85 ILE A HB 1 ATOM 1423 H HG12 . ILE A 1 85 ? 24.610 0.113 37.493 1.00 19.32 ? 85 ILE A HG12 1 ATOM 1424 H HG13 . ILE A 1 85 ? 25.070 -0.455 38.904 1.00 19.32 ? 85 ILE A HG13 1 ATOM 1425 H HG21 . ILE A 1 85 ? 22.763 -1.726 36.455 1.00 17.31 ? 85 ILE A HG21 1 ATOM 1426 H HG22 . ILE A 1 85 ? 21.460 -1.461 37.294 1.00 17.31 ? 85 ILE A HG22 1 ATOM 1427 H HG23 . ILE A 1 85 ? 22.287 -0.252 36.723 1.00 17.31 ? 85 ILE A HG23 1 ATOM 1428 H HD11 . ILE A 1 85 ? 26.316 -1.420 37.215 1.00 17.75 ? 85 ILE A HD11 1 ATOM 1429 H HD12 . ILE A 1 85 ? 25.458 -2.523 37.936 1.00 17.75 ? 85 ILE A HD12 1 ATOM 1430 H HD13 . ILE A 1 85 ? 25.003 -1.961 36.540 1.00 17.75 ? 85 ILE A HD13 1 ATOM 1431 N N . GLU A 1 86 ? 20.090 0.195 39.257 1.00 11.16 ? 86 GLU A N 1 ATOM 1432 C CA . GLU A 1 86 ? 18.670 -0.186 39.401 1.00 11.85 ? 86 GLU A CA 1 ATOM 1433 C C . GLU A 1 86 ? 17.861 0.507 38.312 1.00 12.31 ? 86 GLU A C 1 ATOM 1434 O O . GLU A 1 86 ? 18.258 1.549 37.794 1.00 15.55 ? 86 GLU A O 1 ATOM 1435 C CB . GLU A 1 86 ? 18.102 0.149 40.801 1.00 17.60 ? 86 GLU A CB 1 ATOM 1436 C CG . GLU A 1 86 ? 18.111 1.615 41.171 1.00 20.80 ? 86 GLU A CG 1 ATOM 1437 C CD . GLU A 1 86 ? 17.575 1.917 42.589 1.00 20.81 ? 86 GLU A CD 1 ATOM 1438 O OE1 . GLU A 1 86 ? 17.503 0.952 43.427 1.00 13.62 ? 86 GLU A OE1 1 ATOM 1439 O OE2 . GLU A 1 86 ? 17.234 3.135 42.837 1.00 16.26 ? 86 GLU A OE2 1 ATOM 1440 H H . GLU A 1 86 ? 20.218 0.977 38.925 1.00 13.38 ? 86 GLU A H 1 ATOM 1441 H HA . GLU A 1 86 ? 18.587 -1.153 39.267 1.00 14.21 ? 86 GLU A HA 1 ATOM 1442 H HB2 . GLU A 1 86 ? 17.181 -0.156 40.839 1.00 21.10 ? 86 GLU A HB2 1 ATOM 1443 H HB3 . GLU A 1 86 ? 18.627 -0.323 41.466 1.00 21.10 ? 86 GLU A HB3 1 ATOM 1444 H HG2 . GLU A 1 86 ? 19.024 1.942 41.126 1.00 24.95 ? 86 GLU A HG2 1 ATOM 1445 H HG3 . GLU A 1 86 ? 17.559 2.100 40.538 1.00 24.95 ? 86 GLU A HG3 1 ATOM 1446 N N . LYS A 1 87 ? 16.739 -0.125 38.009 1.00 12.87 ? 87 LYS A N 1 ATOM 1447 C CA . LYS A 1 87 ? 15.748 0.383 37.075 1.00 15.00 ? 87 LYS A CA 1 ATOM 1448 C C . LYS A 1 87 ? 14.835 1.344 37.807 1.00 12.63 ? 87 LYS A C 1 ATOM 1449 O O . LYS A 1 87 ? 14.717 1.303 39.032 1.00 14.15 ? 87 LYS A O 1 ATOM 1450 C CB . LYS A 1 87 ? 14.913 -0.772 36.529 1.00 16.84 ? 87 LYS A CB 1 ATOM 1451 C CG . LYS A 1 87 ? 15.728 -1.791 35.724 1.00 21.76 ? 87 LYS A CG 1 ATOM 1452 C CD . LYS A 1 87 ? 14.827 -2.818 35.032 1.00 29.99 ? 87 LYS A CD 1 ATOM 1453 C CE . LYS A 1 87 ? 15.646 -3.865 34.265 1.00 50.81 ? 87 LYS A CE 1 ATOM 1454 N NZ . LYS A 1 87 ? 16.453 -4.751 35.181 1.00 61.89 ? 87 LYS A NZ 1 ATOM 1455 H H . LYS A 1 87 ? 16.520 -0.884 38.348 1.00 15.43 ? 87 LYS A H 1 ATOM 1456 H HA . LYS A 1 87 ? 16.185 0.849 36.332 1.00 17.99 ? 87 LYS A HA 1 ATOM 1457 H HB2 . LYS A 1 87 ? 14.502 -1.240 37.272 1.00 20.19 ? 87 LYS A HB2 1 ATOM 1458 H HB3 . LYS A 1 87 ? 14.226 -0.413 35.945 1.00 20.19 ? 87 LYS A HB3 1 ATOM 1459 H HG2 . LYS A 1 87 ? 16.237 -1.326 35.042 1.00 26.10 ? 87 LYS A HG2 1 ATOM 1460 H HG3 . LYS A 1 87 ? 16.325 -2.267 36.323 1.00 26.10 ? 87 LYS A HG3 1 ATOM 1461 H HD2 . LYS A 1 87 ? 14.295 -3.278 35.700 1.00 35.98 ? 87 LYS A HD2 1 ATOM 1462 H HD3 . LYS A 1 87 ? 14.249 -2.361 34.400 1.00 35.98 ? 87 LYS A HD3 1 ATOM 1463 H HE2 . LYS A 1 87 ? 15.042 -4.429 33.756 1.00 60.96 ? 87 LYS A HE2 1 ATOM 1464 H HE3 . LYS A 1 87 ? 16.260 -3.411 33.667 1.00 60.96 ? 87 LYS A HE3 1 ATOM 1465 H HZ1 . LYS A 1 87 ? 15.869 -5.220 35.782 1.00 74.26 ? 87 LYS A HZ1 1 ATOM 1466 H HZ2 . LYS A 1 87 ? 16.949 -5.391 34.665 1.00 74.26 ? 87 LYS A HZ2 1 ATOM 1467 H HZ3 . LYS A 1 87 ? 17.066 -4.220 35.694 1.00 74.26 ? 87 LYS A HZ3 1 ATOM 1468 N N . PHE A 1 88 ? 14.187 2.206 37.038 1.00 13.08 ? 88 PHE A N 1 ATOM 1469 C CA . PHE A 1 88 ? 13.231 3.141 37.607 1.00 11.12 ? 88 PHE A CA 1 ATOM 1470 C C . PHE A 1 88 ? 12.036 3.339 36.698 1.00 9.58 ? 88 PHE A C 1 ATOM 1471 O O . PHE A 1 88 ? 12.222 3.639 35.518 1.00 12.16 ? 88 PHE A O 1 ATOM 1472 C CB . PHE A 1 88 ? 13.861 4.510 37.809 1.00 12.00 ? 88 PHE A CB 1 ATOM 1473 C CG . PHE A 1 88 ? 12.879 5.538 38.230 1.00 11.54 ? 88 PHE A CG 1 ATOM 1474 C CD1 . PHE A 1 88 ? 12.448 5.603 39.540 1.00 13.57 ? 88 PHE A CD1 1 ATOM 1475 C CD2 . PHE A 1 88 ? 12.300 6.384 37.275 1.00 11.03 ? 88 PHE A CD2 1 ATOM 1476 C CE1 . PHE A 1 88 ? 11.495 6.524 39.916 1.00 13.23 ? 88 PHE A CE1 1 ATOM 1477 C CE2 . PHE A 1 88 ? 11.333 7.315 37.655 1.00 12.73 ? 88 PHE A CE2 1 ATOM 1478 C CZ . PHE A 1 88 ? 10.929 7.356 38.990 1.00 11.69 ? 88 PHE A CZ 1 ATOM 1479 H H . PHE A 1 88 ? 14.282 2.270 36.186 1.00 15.69 ? 88 PHE A H 1 ATOM 1480 H HA . PHE A 1 88 ? 12.917 2.807 38.473 1.00 13.34 ? 88 PHE A HA 1 ATOM 1481 H HB2 . PHE A 1 88 ? 14.542 4.446 38.498 1.00 14.39 ? 88 PHE A HB2 1 ATOM 1482 H HB3 . PHE A 1 88 ? 14.260 4.800 36.974 1.00 14.39 ? 88 PHE A HB3 1 ATOM 1483 H HD1 . PHE A 1 88 ? 12.812 5.030 40.176 1.00 16.27 ? 88 PHE A HD1 1 ATOM 1484 H HD2 . PHE A 1 88 ? 12.567 6.331 36.386 1.00 13.23 ? 88 PHE A HD2 1 ATOM 1485 H HE1 . PHE A 1 88 ? 11.223 6.570 40.804 1.00 15.86 ? 88 PHE A HE1 1 ATOM 1486 H HE2 . PHE A 1 88 ? 10.957 7.890 37.028 1.00 15.27 ? 88 PHE A HE2 1 ATOM 1487 H HZ . PHE A 1 88 ? 10.301 7.986 39.261 1.00 14.02 ? 88 PHE A HZ 1 ATOM 1488 N N . PRO A 1 89 ? 10.821 3.230 37.243 1.00 9.65 ? 89 PRO A N 1 ATOM 1489 C CA . PRO A 1 89 ? 10.464 2.793 38.597 1.00 9.85 ? 89 PRO A CA 1 ATOM 1490 C C . PRO A 1 89 ? 10.568 1.287 38.707 1.00 11.21 ? 89 PRO A C 1 ATOM 1491 O O . PRO A 1 89 ? 10.392 0.565 37.714 1.00 12.35 ? 89 PRO A O 1 ATOM 1492 C CB . PRO A 1 89 ? 8.973 3.157 38.733 1.00 11.84 ? 89 PRO A CB 1 ATOM 1493 C CG . PRO A 1 89 ? 8.606 3.870 37.541 1.00 14.63 ? 89 PRO A CG 1 ATOM 1494 C CD . PRO A 1 89 ? 9.650 3.730 36.486 1.00 9.12 ? 89 PRO A CD 1 ATOM 1495 H HA . PRO A 1 89 ? 11.001 3.239 39.284 1.00 11.80 ? 89 PRO A HA 1 ATOM 1496 H HB2 . PRO A 1 89 ? 8.449 2.345 38.814 1.00 14.19 ? 89 PRO A HB2 1 ATOM 1497 H HB3 . PRO A 1 89 ? 8.849 3.719 39.514 1.00 14.19 ? 89 PRO A HB3 1 ATOM 1498 H HG2 . PRO A 1 89 ? 7.766 3.514 37.214 1.00 17.54 ? 89 PRO A HG2 1 ATOM 1499 H HG3 . PRO A 1 89 ? 8.496 4.808 37.764 1.00 17.54 ? 89 PRO A HG3 1 ATOM 1500 H HD2 . PRO A 1 89 ? 9.374 3.081 35.820 1.00 10.93 ? 89 PRO A HD2 1 ATOM 1501 H HD3 . PRO A 1 89 ? 9.847 4.591 36.087 1.00 10.93 ? 89 PRO A HD3 1 ATOM 1502 N N . ALA A 1 90 ? 10.782 0.801 39.928 1.00 11.10 ? 90 ALA A N 1 ATOM 1503 C CA . ALA A 1 90 ? 10.789 -0.623 40.155 1.00 9.11 ? 90 ALA A CA 1 ATOM 1504 C C . ALA A 1 90 ? 10.649 -0.951 41.620 1.00 8.93 ? 90 ALA A C 1 ATOM 1505 O O . ALA A 1 90 ? 11.221 -0.240 42.468 1.00 10.96 ? 90 ALA A O 1 ATOM 1506 C CB . ALA A 1 90 ? 12.067 -1.259 39.661 1.00 13.80 ? 90 ALA A CB 1 ATOM 1507 H H . ALA A 1 90 ? 10.922 1.277 40.630 1.00 13.30 ? 90 ALA A H 1 ATOM 1508 H HA . ALA A 1 90 ? 10.038 -1.031 39.675 1.00 10.93 ? 90 ALA A HA 1 ATOM 1509 H HB1 . ALA A 1 90 ? 12.031 -2.204 39.831 1.00 16.54 ? 90 ALA A HB1 1 ATOM 1510 H HB2 . ALA A 1 90 ? 12.151 -1.099 38.718 1.00 16.54 ? 90 ALA A HB2 1 ATOM 1511 H HB3 . ALA A 1 90 ? 12.810 -0.870 40.128 1.00 16.54 ? 90 ALA A HB3 1 ATOM 1512 N N . PRO A 1 91 ? 9.963 -2.045 41.911 1.00 8.10 ? 91 PRO A N 1 ATOM 1513 C CA . PRO A 1 91 ? 10.002 -2.515 43.291 1.00 9.84 ? 91 PRO A CA 1 ATOM 1514 C C . PRO A 1 91 ? 11.433 -2.835 43.719 1.00 8.98 ? 91 PRO A C 1 ATOM 1515 O O . PRO A 1 91 ? 12.279 -3.242 42.908 1.00 10.00 ? 91 PRO A O 1 ATOM 1516 C CB . PRO A 1 91 ? 9.216 -3.822 43.235 1.00 12.67 ? 91 PRO A CB 1 ATOM 1517 C CG . PRO A 1 91 ? 8.327 -3.702 42.004 1.00 12.04 ? 91 PRO A CG 1 ATOM 1518 C CD . PRO A 1 91 ? 9.186 -2.956 41.048 1.00 9.56 ? 91 PRO A CD 1 ATOM 1519 H HA . PRO A 1 91 ? 9.582 -1.880 43.908 1.00 11.79 ? 91 PRO A HA 1 ATOM 1520 H HB2 . PRO A 1 91 ? 9.829 -4.569 43.143 1.00 15.19 ? 91 PRO A HB2 1 ATOM 1521 H HB3 . PRO A 1 91 ? 8.680 -3.916 44.038 1.00 15.19 ? 91 PRO A HB3 1 ATOM 1522 H HG2 . PRO A 1 91 ? 8.108 -4.583 41.663 1.00 14.44 ? 91 PRO A HG2 1 ATOM 1523 H HG3 . PRO A 1 91 ? 7.526 -3.199 42.219 1.00 14.44 ? 91 PRO A HG3 1 ATOM 1524 H HD2 . PRO A 1 91 ? 9.779 -3.566 40.582 1.00 11.47 ? 91 PRO A HD2 1 ATOM 1525 H HD3 . PRO A 1 91 ? 8.639 -2.449 40.428 1.00 11.47 ? 91 PRO A HD3 1 ATOM 1526 N N . VAL A 1 92 ? 11.695 -2.672 45.008 1.00 7.69 ? 92 VAL A N 1 ATOM 1527 C CA . VAL A 1 92 ? 13.006 -2.945 45.553 1.00 8.32 ? 92 VAL A CA 1 ATOM 1528 C C . VAL A 1 92 ? 12.877 -3.616 46.896 1.00 8.27 ? 92 VAL A C 1 ATOM 1529 O O . VAL A 1 92 ? 11.949 -3.322 47.677 1.00 9.43 ? 92 VAL A O 1 ATOM 1530 C CB . VAL A 1 92 ? 13.845 -1.671 45.642 1.00 7.88 ? 92 VAL A CB 1 ATOM 1531 C CG1 . VAL A 1 92 ? 13.291 -0.695 46.648 1.00 10.15 ? 92 VAL A CG1 1 ATOM 1532 C CG2 . VAL A 1 92 ? 15.286 -1.981 45.957 1.00 9.93 ? 92 VAL A CG2 1 ATOM 1533 H H . VAL A 1 92 ? 11.122 -2.402 45.589 1.00 9.22 ? 92 VAL A H 1 ATOM 1534 H HA . VAL A 1 92 ? 13.471 -3.566 44.955 1.00 9.97 ? 92 VAL A HA 1 ATOM 1535 H HB . VAL A 1 92 ? 13.827 -1.230 44.767 1.00 9.44 ? 92 VAL A HB 1 ATOM 1536 H HG11 . VAL A 1 92 ? 13.851 0.085 46.667 1.00 12.17 ? 92 VAL A HG11 1 ATOM 1537 H HG12 . VAL A 1 92 ? 12.399 -0.452 46.389 1.00 12.17 ? 92 VAL A HG12 1 ATOM 1538 H HG13 . VAL A 1 92 ? 13.280 -1.111 47.513 1.00 12.17 ? 92 VAL A HG13 1 ATOM 1539 H HG21 . VAL A 1 92 ? 15.779 -1.159 46.004 1.00 11.91 ? 92 VAL A HG21 1 ATOM 1540 H HG22 . VAL A 1 92 ? 15.330 -2.439 46.800 1.00 11.91 ? 92 VAL A HG22 1 ATOM 1541 H HG23 . VAL A 1 92 ? 15.645 -2.539 45.262 1.00 11.91 ? 92 VAL A HG23 1 ATOM 1542 N N . HIS A 1 93 ? 13.800 -4.530 47.180 1.00 7.66 ? 93 HIS A N 1 ATOM 1543 C CA . HIS A 1 93 ? 13.994 -5.056 48.512 1.00 7.22 ? 93 HIS A CA 1 ATOM 1544 C C . HIS A 1 93 ? 15.278 -4.452 49.057 1.00 8.01 ? 93 HIS A C 1 ATOM 1545 O O . HIS A 1 93 ? 16.332 -4.514 48.417 1.00 7.50 ? 93 HIS A O 1 ATOM 1546 C CB . HIS A 1 93 ? 14.067 -6.578 48.478 1.00 7.97 ? 93 HIS A CB 1 ATOM 1547 C CG . HIS A 1 93 ? 14.139 -7.174 49.843 1.00 7.33 ? 93 HIS A CG 1 ATOM 1548 N ND1 . HIS A 1 93 ? 15.327 -7.533 50.446 1.00 7.60 ? 93 HIS A ND1 1 ATOM 1549 C CD2 . HIS A 1 93 ? 13.166 -7.409 50.752 1.00 8.77 ? 93 HIS A CD2 1 ATOM 1550 C CE1 . HIS A 1 93 ? 15.073 -7.998 51.653 1.00 7.69 ? 93 HIS A CE1 1 ATOM 1551 N NE2 . HIS A 1 93 ? 13.768 -7.917 51.875 1.00 9.87 ? 93 HIS A NE2 1 ATOM 1552 H H . HIS A 1 93 ? 14.337 -4.865 46.597 1.00 9.18 ? 93 HIS A H 1 ATOM 1553 H HA . HIS A 1 93 ? 13.248 -4.787 49.088 1.00 8.65 ? 93 HIS A HA 1 ATOM 1554 H HB2 . HIS A 1 93 ? 13.273 -6.924 48.040 1.00 9.55 ? 93 HIS A HB2 1 ATOM 1555 H HB3 . HIS A 1 93 ? 14.861 -6.847 47.989 1.00 9.55 ? 93 HIS A HB3 1 ATOM 1556 H HD1 . HIS A 1 93 ? 16.105 -7.482 50.084 1.00 9.10 ? 93 HIS A HD1 1 ATOM 1557 H HD2 . HIS A 1 93 ? 12.257 -7.251 50.639 1.00 10.51 ? 93 HIS A HD2 1 ATOM 1558 H HE1 . HIS A 1 93 ? 15.706 -8.313 52.256 1.00 9.22 ? 93 HIS A HE1 1 ATOM 1559 N N . ILE A 1 94 ? 15.173 -3.813 50.219 1.00 6.68 ? 94 ILE A N 1 ATOM 1560 C CA . ILE A 1 94 ? 16.276 -3.091 50.834 1.00 6.61 ? 94 ILE A CA 1 ATOM 1561 C C . ILE A 1 94 ? 16.565 -3.742 52.175 1.00 9.31 ? 94 ILE A C 1 ATOM 1562 O O . ILE A 1 94 ? 15.664 -3.903 53.008 1.00 9.93 ? 94 ILE A O 1 ATOM 1563 C CB . ILE A 1 94 ? 15.900 -1.627 51.059 1.00 8.34 ? 94 ILE A CB 1 ATOM 1564 C CG1 . ILE A 1 94 ? 15.629 -0.943 49.724 1.00 11.01 ? 94 ILE A CG1 1 ATOM 1565 C CG2 . ILE A 1 94 ? 17.032 -0.858 51.784 1.00 12.10 ? 94 ILE A CG2 1 ATOM 1566 C CD1 . ILE A 1 94 ? 14.795 0.328 49.844 1.00 14.07 ? 94 ILE A CD1 1 ATOM 1567 H H . ILE A 1 94 ? 14.448 -3.783 50.682 1.00 8.01 ? 94 ILE A H 1 ATOM 1568 H HA . ILE A 1 94 ? 17.075 -3.140 50.268 1.00 7.92 ? 94 ILE A HA 1 ATOM 1569 H HB . ILE A 1 94 ? 15.097 -1.589 51.601 1.00 9.99 ? 94 ILE A HB 1 ATOM 1570 H HG12 . ILE A 1 94 ? 16.477 -0.705 49.317 1.00 13.20 ? 94 ILE A HG12 1 ATOM 1571 H HG13 . ILE A 1 94 ? 15.150 -1.559 49.149 1.00 13.20 ? 94 ILE A HG13 1 ATOM 1572 H HG21 . ILE A 1 94 ? 16.760 0.054 51.907 1.00 14.51 ? 94 ILE A HG21 1 ATOM 1573 H HG22 . ILE A 1 94 ? 17.193 -1.270 52.636 1.00 14.51 ? 94 ILE A HG22 1 ATOM 1574 H HG23 . ILE A 1 94 ? 17.827 -0.894 51.247 1.00 14.51 ? 94 ILE A HG23 1 ATOM 1575 H HD11 . ILE A 1 94 ? 14.667 0.701 48.969 1.00 16.87 ? 94 ILE A HD11 1 ATOM 1576 H HD12 . ILE A 1 94 ? 13.947 0.109 50.235 1.00 16.87 ? 94 ILE A HD12 1 ATOM 1577 H HD13 . ILE A 1 94 ? 15.261 0.955 50.402 1.00 16.87 ? 94 ILE A HD13 1 ATOM 1578 N N . CYS A 1 95 ? 17.826 -4.054 52.433 1.00 7.03 ? 95 CYS A N 1 ATOM 1579 C CA . CYS A 1 95 ? 18.281 -4.419 53.786 1.00 8.48 ? 95 CYS A CA 1 ATOM 1580 C C . CYS A 1 95 ? 19.480 -3.563 54.091 1.00 8.68 ? 95 CYS A C 1 ATOM 1581 O O . CYS A 1 95 ? 20.317 -3.267 53.241 1.00 9.09 ? 95 CYS A O 1 ATOM 1582 C CB . CYS A 1 95 ? 18.715 -5.881 53.910 1.00 10.61 ? 95 CYS A CB 1 ATOM 1583 S SG . CYS A 1 95 ? 17.459 -7.150 53.844 1.00 19.78 ? 95 CYS A SG 1 ATOM 1584 H H . CYS A 1 95 ? 18.451 -4.064 51.842 1.00 8.43 ? 95 CYS A H 1 ATOM 1585 H HA . CYS A 1 95 ? 17.577 -4.234 54.442 1.00 10.17 ? 95 CYS A HA 1 ATOM 1586 H HB2 . CYS A 1 95 ? 19.340 -6.067 53.192 1.00 12.71 ? 95 CYS A HB2 1 ATOM 1587 H HB3 . CYS A 1 95 ? 19.172 -5.983 54.760 1.00 12.71 ? 95 CYS A HB3 1 ATOM 1588 N N . VAL A 1 96 ? 19.565 -3.142 55.332 1.00 6.67 ? 96 VAL A N 1 ATOM 1589 C CA . VAL A 1 96 ? 20.754 -2.467 55.808 1.00 7.20 ? 96 VAL A CA 1 ATOM 1590 C C . VAL A 1 96 ? 21.091 -2.933 57.216 1.00 8.00 ? 96 VAL A C 1 ATOM 1591 O O . VAL A 1 96 ? 20.205 -3.051 58.072 1.00 7.82 ? 96 VAL A O 1 ATOM 1592 C CB . VAL A 1 96 ? 20.575 -0.953 55.752 1.00 9.27 ? 96 VAL A CB 1 ATOM 1593 C CG1 . VAL A 1 96 ? 19.409 -0.445 56.633 1.00 13.63 ? 96 VAL A CG1 1 ATOM 1594 C CG2 . VAL A 1 96 ? 21.899 -0.263 56.044 1.00 12.59 ? 96 VAL A CG2 1 ATOM 1595 H H . VAL A 1 96 ? 18.948 -3.233 55.924 1.00 7.99 ? 96 VAL A H 1 ATOM 1596 H HA . VAL A 1 96 ? 21.507 -2.703 55.226 1.00 8.63 ? 96 VAL A HA 1 ATOM 1597 H HB . VAL A 1 96 ? 20.342 -0.721 54.829 1.00 11.11 ? 96 VAL A HB 1 ATOM 1598 H HG11 . VAL A 1 96 ? 19.351 0.510 56.553 1.00 16.34 ? 96 VAL A HG11 1 ATOM 1599 H HG12 . VAL A 1 96 ? 18.592 -0.850 56.333 1.00 16.34 ? 96 VAL A HG12 1 ATOM 1600 H HG13 . VAL A 1 96 ? 19.579 -0.688 57.546 1.00 16.34 ? 96 VAL A HG13 1 ATOM 1601 H HG21 . VAL A 1 96 ? 21.770 0.688 56.005 1.00 15.10 ? 96 VAL A HG21 1 ATOM 1602 H HG22 . VAL A 1 96 ? 22.197 -0.517 56.921 1.00 15.10 ? 96 VAL A HG22 1 ATOM 1603 H HG23 . VAL A 1 96 ? 22.544 -0.534 55.387 1.00 15.10 ? 96 VAL A HG23 1 ATOM 1604 N N . SER A 1 97 ? 22.367 -3.222 57.472 1.00 8.90 ? 97 SER A N 1 ATOM 1605 C CA . SER A 1 97 ? 22.833 -3.575 58.818 1.00 7.79 ? 97 SER A CA 1 ATOM 1606 C C . SER A 1 97 ? 23.906 -2.613 59.244 1.00 7.39 ? 97 SER A C 1 ATOM 1607 O O . SER A 1 97 ? 24.583 -1.989 58.408 1.00 8.32 ? 97 SER A O 1 ATOM 1608 C CB . SER A 1 97 ? 23.411 -4.992 58.895 1.00 9.41 ? 97 SER A CB 1 ATOM 1609 O OG . SER A 1 97 ? 24.575 -5.113 58.132 1.00 9.20 ? 97 SER A OG 1 ATOM 1610 H H . SER A 1 97 ? 22.990 -3.220 56.879 1.00 10.67 ? 97 SER A H 1 ATOM 1611 H HA . SER A 1 97 ? 22.087 -3.509 59.450 1.00 9.34 ? 97 SER A HA 1 ATOM 1612 H HB2 . SER A 1 97 ? 23.621 -5.195 59.820 1.00 11.28 ? 97 SER A HB2 1 ATOM 1613 H HB3 . SER A 1 97 ? 22.751 -5.619 58.562 1.00 11.28 ? 97 SER A HB3 1 ATOM 1614 H HG . SER A 1 97 ? 24.868 -5.877 58.187 1.00 11.02 ? 97 SER A HG 1 ATOM 1615 N N . TRP A 1 98 ? 24.095 -2.512 60.554 1.00 7.89 ? 98 TRP A N 1 ATOM 1616 C CA . TRP A 1 98 ? 25.165 -1.716 61.123 1.00 7.80 ? 98 TRP A CA 1 ATOM 1617 C C . TRP A 1 98 ? 25.648 -2.369 62.384 1.00 9.12 ? 98 TRP A C 1 ATOM 1618 O O . TRP A 1 98 ? 24.857 -2.914 63.160 1.00 8.97 ? 98 TRP A O 1 ATOM 1619 C CB . TRP A 1 98 ? 24.683 -0.301 61.374 1.00 7.39 ? 98 TRP A CB 1 ATOM 1620 C CG . TRP A 1 98 ? 25.707 0.604 62.027 1.00 7.83 ? 98 TRP A CG 1 ATOM 1621 C CD1 . TRP A 1 98 ? 26.785 1.252 61.424 1.00 9.91 ? 98 TRP A CD1 1 ATOM 1622 C CD2 . TRP A 1 98 ? 25.729 0.968 63.399 1.00 9.71 ? 98 TRP A CD2 1 ATOM 1623 N NE1 . TRP A 1 98 ? 27.460 1.971 62.372 1.00 11.24 ? 98 TRP A NE1 1 ATOM 1624 C CE2 . TRP A 1 98 ? 26.848 1.808 63.588 1.00 10.66 ? 98 TRP A CE2 1 ATOM 1625 C CE3 . TRP A 1 98 ? 24.925 0.640 64.502 1.00 13.40 ? 98 TRP A CE3 1 ATOM 1626 C CZ2 . TRP A 1 98 ? 27.161 2.358 64.841 1.00 13.78 ? 98 TRP A CZ2 1 ATOM 1627 C CZ3 . TRP A 1 98 ? 25.231 1.163 65.737 1.00 14.44 ? 98 TRP A CZ3 1 ATOM 1628 C CH2 . TRP A 1 98 ? 26.353 2.009 65.902 1.00 14.77 ? 98 TRP A CH2 1 ATOM 1629 H H . TRP A 1 98 ? 23.605 -2.903 61.143 1.00 9.45 ? 98 TRP A H 1 ATOM 1630 H HA . TRP A 1 98 ? 25.913 -1.679 60.490 1.00 9.35 ? 98 TRP A HA 1 ATOM 1631 H HB2 . TRP A 1 98 ? 24.437 0.098 60.525 1.00 8.85 ? 98 TRP A HB2 1 ATOM 1632 H HB3 . TRP A 1 98 ? 23.908 -0.335 61.955 1.00 8.85 ? 98 TRP A HB3 1 ATOM 1633 H HD1 . TRP A 1 98 ? 27.014 1.197 60.524 1.00 11.88 ? 98 TRP A HD1 1 ATOM 1634 H HE1 . TRP A 1 98 ? 28.162 2.447 62.228 1.00 13.47 ? 98 TRP A HE1 1 ATOM 1635 H HE3 . TRP A 1 98 ? 24.192 0.078 64.399 1.00 16.07 ? 98 TRP A HE3 1 ATOM 1636 H HZ2 . TRP A 1 98 ? 27.897 2.914 64.955 1.00 16.53 ? 98 TRP A HZ2 1 ATOM 1637 H HZ3 . TRP A 1 98 ? 24.701 0.952 66.471 1.00 17.31 ? 98 TRP A HZ3 1 ATOM 1638 H HH2 . TRP A 1 98 ? 26.538 2.357 66.744 1.00 17.71 ? 98 TRP A HH2 1 ATOM 1639 N N . GLU A 1 99 ? 26.942 -2.315 62.608 1.00 8.76 ? 99 GLU A N 1 ATOM 1640 C CA . GLU A 1 99 ? 27.650 -2.945 63.723 1.00 9.30 ? 99 GLU A CA 1 ATOM 1641 C C . GLU A 1 99 ? 28.499 -1.859 64.402 1.00 10.64 ? 99 GLU A C 1 ATOM 1642 O O . GLU A 1 99 ? 29.440 -1.347 63.802 1.00 11.11 ? 99 GLU A O 1 ATOM 1643 C CB . GLU A 1 99 ? 28.564 -4.037 63.171 1.00 13.11 ? 99 GLU A CB 1 ATOM 1644 C CG . GLU A 1 99 ? 29.325 -4.817 64.201 1.00 19.06 ? 99 GLU A CG 1 ATOM 1645 C CD . GLU A 1 99 ? 30.199 -5.799 63.498 1.00 19.67 ? 99 GLU A CD 1 ATOM 1646 O OE1 . GLU A 1 99 ? 29.962 -7.007 63.669 1.00 26.71 ? 99 GLU A OE1 1 ATOM 1647 O OE2 . GLU A 1 99 ? 31.103 -5.380 62.722 1.00 15.43 ? 99 GLU A OE2 1 ATOM 1648 H H . GLU A 1 99 ? 27.479 -1.886 62.090 1.00 10.50 ? 99 GLU A H 1 ATOM 1649 H HA . GLU A 1 99 ? 27.019 -3.329 64.368 1.00 11.15 ? 99 GLU A HA 1 ATOM 1650 H HB2 . GLU A 1 99 ? 28.022 -4.667 62.670 1.00 15.72 ? 99 GLU A HB2 1 ATOM 1651 H HB3 . GLU A 1 99 ? 29.213 -3.625 62.579 1.00 15.72 ? 99 GLU A HB3 1 ATOM 1652 H HG2 . GLU A 1 99 ? 29.882 -4.219 64.723 1.00 22.86 ? 99 GLU A HG2 1 ATOM 1653 H HG3 . GLU A 1 99 ? 28.707 -5.301 64.772 1.00 22.86 ? 99 GLU A HG3 1 ATOM 1654 N N . SER A 1 100 ? 28.187 -1.507 65.651 1.00 10.27 ? 100 SER A N 1 ATOM 1655 C CA . SER A 1 100 ? 28.952 -0.469 66.377 1.00 10.51 ? 100 SER A CA 1 ATOM 1656 C C . SER A 1 100 ? 30.427 -0.806 66.491 1.00 11.88 ? 100 SER A C 1 ATOM 1657 O O . SER A 1 100 ? 31.268 0.088 66.372 1.00 12.45 ? 100 SER A O 1 ATOM 1658 C CB . SER A 1 100 ? 28.391 -0.305 67.789 1.00 12.05 ? 100 SER A CB 1 ATOM 1659 O OG . SER A 1 100 ? 29.222 0.612 68.487 1.00 12.80 ? 100 SER A OG 1 ATOM 1660 H H . SER A 1 100 ? 27.541 -1.849 66.105 1.00 12.32 ? 100 SER A H 1 ATOM 1661 H HA . SER A 1 100 ? 28.865 0.387 65.907 1.00 12.60 ? 100 SER A HA 1 ATOM 1662 H HB2 . SER A 1 100 ? 27.488 0.045 67.742 1.00 14.45 ? 100 SER A HB2 1 ATOM 1663 H HB3 . SER A 1 100 ? 28.401 -1.162 68.244 1.00 14.45 ? 100 SER A HB3 1 ATOM 1664 H HG . SER A 1 100 ? 28.942 0.719 69.251 1.00 15.35 ? 100 SER A HG 1 ATOM 1665 N N . SER A 1 101 ? 30.764 -2.062 66.705 1.00 9.19 ? 101 SER A N 1 ATOM 1666 C CA . SER A 1 101 ? 32.141 -2.423 67.041 1.00 11.55 ? 101 SER A CA 1 ATOM 1667 C C . SER A 1 101 ? 33.113 -2.022 65.937 1.00 12.82 ? 101 SER A C 1 ATOM 1668 O O . SER A 1 101 ? 34.235 -1.576 66.214 1.00 12.91 ? 101 SER A O 1 ATOM 1669 C CB . SER A 1 101 ? 32.271 -3.914 67.347 1.00 16.03 ? 101 SER A CB 1 ATOM 1670 O OG . SER A 1 101 ? 31.849 -4.718 66.272 1.00 18.34 ? 101 SER A OG 1 ATOM 1671 H H . SER A 1 101 ? 30.222 -2.729 66.665 1.00 11.02 ? 101 SER A H 1 ATOM 1672 H HA . SER A 1 101 ? 32.399 -1.934 67.850 1.00 13.84 ? 101 SER A HA 1 ATOM 1673 H HB2 . SER A 1 101 ? 33.202 -4.113 67.537 1.00 19.22 ? 101 SER A HB2 1 ATOM 1674 H HB3 . SER A 1 101 ? 31.727 -4.122 68.123 1.00 19.22 ? 101 SER A HB3 1 ATOM 1675 H HG . SER A 1 101 ? 31.931 -5.510 66.466 1.00 22.00 ? 101 SER A HG 1 ATOM 1676 N N . SER A 1 102 ? 32.668 -2.157 64.699 1.00 10.79 ? 102 SER A N 1 ATOM 1677 C CA . SER A 1 102 ? 33.469 -1.814 63.537 1.00 8.66 ? 102 SER A CA 1 ATOM 1678 C C . SER A 1 102 ? 32.998 -0.544 62.837 1.00 8.59 ? 102 SER A C 1 ATOM 1679 O O . SER A 1 102 ? 33.764 0.002 62.029 1.00 9.31 ? 102 SER A O 1 ATOM 1680 C CB . SER A 1 102 ? 33.392 -2.929 62.502 1.00 8.88 ? 102 SER A CB 1 ATOM 1681 O OG . SER A 1 102 ? 32.052 -3.083 62.037 1.00 10.58 ? 102 SER A OG 1 ATOM 1682 H H . SER A 1 102 ? 31.884 -2.452 64.501 1.00 12.94 ? 102 SER A H 1 ATOM 1683 H HA . SER A 1 102 ? 34.405 -1.698 63.804 1.00 10.37 ? 102 SER A HA 1 ATOM 1684 H HB2 . SER A 1 102 ? 33.964 -2.705 61.751 1.00 10.64 ? 102 SER A HB2 1 ATOM 1685 H HB3 . SER A 1 102 ? 33.685 -3.760 62.908 1.00 10.64 ? 102 SER A HB3 1 ATOM 1686 H HG . SER A 1 102 ? 32.015 -3.684 61.480 1.00 12.68 ? 102 SER A HG 1 ATOM 1687 N N . GLY A 1 103 ? 31.764 -0.107 63.076 1.00 7.62 ? 103 GLY A N 1 ATOM 1688 C CA . GLY A 1 103 ? 31.125 0.978 62.361 1.00 7.07 ? 103 GLY A CA 1 ATOM 1689 C C . GLY A 1 103 ? 30.608 0.597 60.989 1.00 7.18 ? 103 GLY A C 1 ATOM 1690 O O . GLY A 1 103 ? 30.108 1.452 60.286 1.00 8.23 ? 103 GLY A O 1 ATOM 1691 H H . GLY A 1 103 ? 31.256 -0.448 63.681 1.00 9.14 ? 103 GLY A H 1 ATOM 1692 H HA2 . GLY A 1 103 ? 30.378 1.307 62.884 1.00 8.48 ? 103 GLY A HA2 1 ATOM 1693 H HA3 . GLY A 1 103 ? 31.760 1.704 62.253 1.00 8.48 ? 103 GLY A HA3 1 ATOM 1694 N N . ILE A 1 104 ? 30.743 -0.660 60.615 1.00 8.09 ? 104 ILE A N 1 ATOM 1695 C CA . ILE A 1 104 ? 30.413 -1.063 59.240 1.00 8.24 ? 104 ILE A CA 1 ATOM 1696 C C . ILE A 1 104 ? 28.909 -1.109 58.977 1.00 8.10 ? 104 ILE A C 1 ATOM 1697 O O . ILE A 1 104 ? 28.131 -1.715 59.753 1.00 8.35 ? 104 ILE A O 1 ATOM 1698 C CB . ILE A 1 104 ? 31.054 -2.412 58.881 1.00 8.61 ? 104 ILE A CB 1 ATOM 1699 C CG1 . ILE A 1 104 ? 32.578 -2.332 58.853 1.00 9.78 ? 104 ILE A CG1 1 ATOM 1700 C CG2 . ILE A 1 104 ? 30.490 -2.943 57.538 1.00 9.11 ? 104 ILE A CG2 1 ATOM 1701 C CD1 . ILE A 1 104 ? 33.156 -1.402 57.796 1.00 10.00 ? 104 ILE A CD1 1 ATOM 1702 H H . ILE A 1 104 ? 31.019 -1.299 61.121 1.00 9.69 ? 104 ILE A H 1 ATOM 1703 H HA . ILE A 1 104 ? 30.790 -0.394 58.630 1.00 9.88 ? 104 ILE A HA 1 ATOM 1704 H HB . ILE A 1 104 ? 30.808 -3.046 59.572 1.00 10.32 ? 104 ILE A HB 1 ATOM 1705 H HG12 . ILE A 1 104 ? 32.886 -2.020 59.718 1.00 11.73 ? 104 ILE A HG12 1 ATOM 1706 H HG13 . ILE A 1 104 ? 32.930 -3.220 58.685 1.00 11.73 ? 104 ILE A HG13 1 ATOM 1707 H HG21 . ILE A 1 104 ? 30.905 -3.785 57.336 1.00 10.92 ? 104 ILE A HG21 1 ATOM 1708 H HG22 . ILE A 1 104 ? 29.541 -3.058 57.622 1.00 10.92 ? 104 ILE A HG22 1 ATOM 1709 H HG23 . ILE A 1 104 ? 30.684 -2.307 56.845 1.00 10.92 ? 104 ILE A HG23 1 ATOM 1710 H HD11 . ILE A 1 104 ? 34.114 -1.418 57.856 1.00 11.99 ? 104 ILE A HD11 1 ATOM 1711 H HD12 . ILE A 1 104 ? 32.877 -1.703 56.929 1.00 11.99 ? 104 ILE A HD12 1 ATOM 1712 H HD13 . ILE A 1 104 ? 32.833 -0.511 57.954 1.00 11.99 ? 104 ILE A HD13 1 ATOM 1713 N N . ALA A 1 105 ? 28.495 -0.447 57.907 1.00 7.77 ? 105 ALA A N 1 ATOM 1714 C CA . ALA A 1 105 ? 27.139 -0.455 57.393 1.00 7.56 ? 105 ALA A CA 1 ATOM 1715 C C . ALA A 1 105 ? 27.131 -1.224 56.096 1.00 9.46 ? 105 ALA A C 1 ATOM 1716 O O . ALA A 1 105 ? 27.929 -0.934 55.199 1.00 8.91 ? 105 ALA A O 1 ATOM 1717 C CB . ALA A 1 105 ? 26.637 0.946 57.153 1.00 10.60 ? 105 ALA A CB 1 ATOM 1718 H H . ALA A 1 105 ? 29.019 0.044 57.434 1.00 9.31 ? 105 ALA A H 1 ATOM 1719 H HA . ALA A 1 105 ? 26.544 -0.901 58.031 1.00 9.06 ? 105 ALA A HA 1 ATOM 1720 H HB1 . ALA A 1 105 ? 25.740 0.902 56.814 1.00 12.71 ? 105 ALA A HB1 1 ATOM 1721 H HB2 . ALA A 1 105 ? 26.651 1.429 57.983 1.00 12.71 ? 105 ALA A HB2 1 ATOM 1722 H HB3 . ALA A 1 105 ? 27.208 1.377 56.513 1.00 12.71 ? 105 ALA A HB3 1 ATOM 1723 N N . GLU A 1 106 ? 26.206 -2.179 55.991 1.00 7.70 ? 106 GLU A N 1 ATOM 1724 C CA . GLU A 1 106 ? 26.060 -3.014 54.791 1.00 8.62 ? 106 GLU A CA 1 ATOM 1725 C C . GLU A 1 106 ? 24.653 -2.825 54.222 1.00 9.36 ? 106 GLU A C 1 ATOM 1726 O O . GLU A 1 106 ? 23.686 -3.238 54.849 1.00 10.96 ? 106 GLU A O 1 ATOM 1727 C CB . GLU A 1 106 ? 26.119 -4.506 55.108 1.00 13.03 ? 106 GLU A CB 1 ATOM 1728 C CG . GLU A 1 106 ? 27.312 -5.051 55.663 1.00 15.85 ? 106 GLU A CG 1 ATOM 1729 C CD . GLU A 1 106 ? 27.283 -6.610 55.748 1.00 22.81 ? 106 GLU A CD 1 ATOM 1730 O OE1 . GLU A 1 106 ? 28.271 -7.135 56.308 1.00 20.68 ? 106 GLU A OE1 1 ATOM 1731 O OE2 . GLU A 1 106 ? 26.315 -7.327 55.295 1.00 16.65 ? 106 GLU A OE2 1 ATOM 1732 H H . GLU A 1 106 ? 25.641 -2.368 56.611 1.00 9.23 ? 106 GLU A H 1 ATOM 1733 H HA . GLU A 1 106 ? 26.731 -2.785 54.114 1.00 10.34 ? 106 GLU A HA 1 ATOM 1734 H HB2 . GLU A 1 106 ? 25.406 -4.701 55.736 1.00 15.63 ? 106 GLU A HB2 1 ATOM 1735 H HB3 . GLU A 1 106 ? 25.950 -4.988 54.283 1.00 15.63 ? 106 GLU A HB3 1 ATOM 1736 H HG2 . GLU A 1 106 ? 28.065 -4.795 55.107 1.00 19.01 ? 106 GLU A HG2 1 ATOM 1737 H HG3 . GLU A 1 106 ? 27.431 -4.704 56.561 1.00 19.01 ? 106 GLU A HG3 1 ATOM 1738 N N . PHE A 1 107 ? 24.525 -2.233 53.042 1.00 7.46 ? 107 PHE A N 1 ATOM 1739 C CA . PHE A 1 107 ? 23.305 -2.252 52.273 1.00 7.07 ? 107 PHE A CA 1 ATOM 1740 C C . PHE A 1 107 ? 23.287 -3.461 51.329 1.00 6.81 ? 107 PHE A C 1 ATOM 1741 O O . PHE A 1 107 ? 24.289 -3.834 50.731 1.00 7.37 ? 107 PHE A O 1 ATOM 1742 C CB . PHE A 1 107 ? 23.168 -0.993 51.412 1.00 8.11 ? 107 PHE A CB 1 ATOM 1743 C CG . PHE A 1 107 ? 22.526 0.201 52.098 1.00 9.42 ? 107 PHE A CG 1 ATOM 1744 C CD1 . PHE A 1 107 ? 21.168 0.257 52.280 1.00 8.70 ? 107 PHE A CD1 1 ATOM 1745 C CD2 . PHE A 1 107 ? 23.269 1.297 52.480 1.00 9.47 ? 107 PHE A CD2 1 ATOM 1746 C CE1 . PHE A 1 107 ? 20.531 1.347 52.864 1.00 9.08 ? 107 PHE A CE1 1 ATOM 1747 C CE2 . PHE A 1 107 ? 22.672 2.379 53.071 1.00 9.54 ? 107 PHE A CE2 1 ATOM 1748 C CZ . PHE A 1 107 ? 21.315 2.423 53.265 1.00 8.69 ? 107 PHE A CZ 1 ATOM 1749 H H . PHE A 1 107 ? 25.161 -1.799 52.658 1.00 8.94 ? 107 PHE A H 1 ATOM 1750 H HA . PHE A 1 107 ? 22.534 -2.309 52.874 1.00 8.47 ? 107 PHE A HA 1 ATOM 1751 H HB2 . PHE A 1 107 ? 24.054 -0.722 51.123 1.00 9.72 ? 107 PHE A HB2 1 ATOM 1752 H HB3 . PHE A 1 107 ? 22.627 -1.209 50.637 1.00 9.72 ? 107 PHE A HB3 1 ATOM 1753 H HD1 . PHE A 1 107 ? 20.652 -0.467 52.007 1.00 10.42 ? 107 PHE A HD1 1 ATOM 1754 H HD2 . PHE A 1 107 ? 24.191 1.291 52.360 1.00 11.36 ? 107 PHE A HD2 1 ATOM 1755 H HE1 . PHE A 1 107 ? 19.610 1.350 52.994 1.00 10.89 ? 107 PHE A HE1 1 ATOM 1756 H HE2 . PHE A 1 107 ? 23.195 3.101 53.337 1.00 11.43 ? 107 PHE A HE2 1 ATOM 1757 H HZ . PHE A 1 107 ? 20.923 3.164 53.668 1.00 10.42 ? 107 PHE A HZ 1 ATOM 1758 N N . TRP A 1 108 ? 22.095 -4.057 51.215 1.00 6.41 ? 108 TRP A N 1 ATOM 1759 C CA . TRP A 1 108 ? 21.783 -5.103 50.237 1.00 5.86 ? 108 TRP A CA 1 ATOM 1760 C C . TRP A 1 108 ? 20.540 -4.690 49.494 1.00 6.11 ? 108 TRP A C 1 ATOM 1761 O O . TRP A 1 108 ? 19.507 -4.423 50.112 1.00 7.69 ? 108 TRP A O 1 ATOM 1762 C CB . TRP A 1 108 ? 21.507 -6.448 50.924 1.00 7.32 ? 108 TRP A CB 1 ATOM 1763 C CG . TRP A 1 108 ? 22.710 -7.014 51.660 1.00 7.98 ? 108 TRP A CG 1 ATOM 1764 C CD1 . TRP A 1 108 ? 23.288 -6.515 52.784 1.00 11.20 ? 108 TRP A CD1 1 ATOM 1765 C CD2 . TRP A 1 108 ? 23.471 -8.153 51.273 1.00 8.01 ? 108 TRP A CD2 1 ATOM 1766 N NE1 . TRP A 1 108 ? 24.356 -7.298 53.143 1.00 11.97 ? 108 TRP A NE1 1 ATOM 1767 C CE2 . TRP A 1 108 ? 24.482 -8.323 52.242 1.00 9.85 ? 108 TRP A CE2 1 ATOM 1768 C CE3 . TRP A 1 108 ? 23.360 -9.072 50.246 1.00 8.80 ? 108 TRP A CE3 1 ATOM 1769 C CZ2 . TRP A 1 108 ? 25.422 -9.355 52.159 1.00 10.60 ? 108 TRP A CZ2 1 ATOM 1770 C CZ3 . TRP A 1 108 ? 24.289 -10.124 50.174 1.00 11.62 ? 108 TRP A CZ3 1 ATOM 1771 C CH2 . TRP A 1 108 ? 25.301 -10.242 51.139 1.00 11.68 ? 108 TRP A CH2 1 ATOM 1772 H H . TRP A 1 108 ? 21.424 -3.862 51.717 1.00 7.69 ? 108 TRP A H 1 ATOM 1773 H HA . TRP A 1 108 ? 22.522 -5.208 49.602 1.00 7.02 ? 108 TRP A HA 1 ATOM 1774 H HB2 . TRP A 1 108 ? 20.793 -6.330 51.569 1.00 8.77 ? 108 TRP A HB2 1 ATOM 1775 H HB3 . TRP A 1 108 ? 21.239 -7.094 50.251 1.00 8.77 ? 108 TRP A HB3 1 ATOM 1776 H HD1 . TRP A 1 108 ? 22.998 -5.761 53.246 1.00 13.42 ? 108 TRP A HD1 1 ATOM 1777 H HE1 . TRP A 1 108 ? 24.865 -7.166 53.823 1.00 14.35 ? 108 TRP A HE1 1 ATOM 1778 H HE3 . TRP A 1 108 ? 22.692 -8.987 49.605 1.00 10.55 ? 108 TRP A HE3 1 ATOM 1779 H HZ2 . TRP A 1 108 ? 26.088 -9.450 52.801 1.00 12.71 ? 108 TRP A HZ2 1 ATOM 1780 H HZ3 . TRP A 1 108 ? 24.239 -10.739 49.479 1.00 13.93 ? 108 TRP A HZ3 1 ATOM 1781 H HH2 . TRP A 1 108 ? 25.908 -10.943 51.074 1.00 14.01 ? 108 TRP A HH2 1 ATOM 1782 N N . ILE A 1 109 ? 20.627 -4.678 48.179 1.00 5.85 ? 109 ILE A N 1 ATOM 1783 C CA . ILE A 1 109 ? 19.536 -4.230 47.333 1.00 6.67 ? 109 ILE A CA 1 ATOM 1784 C C . ILE A 1 109 ? 19.151 -5.394 46.406 1.00 6.93 ? 109 ILE A C 1 ATOM 1785 O O . ILE A 1 109 ? 19.972 -5.880 45.649 1.00 8.64 ? 109 ILE A O 1 ATOM 1786 C CB . ILE A 1 109 ? 19.922 -3.005 46.498 1.00 7.50 ? 109 ILE A CB 1 ATOM 1787 C CG1 . ILE A 1 109 ? 20.339 -1.846 47.404 1.00 10.25 ? 109 ILE A CG1 1 ATOM 1788 C CG2 . ILE A 1 109 ? 18.788 -2.623 45.544 1.00 9.62 ? 109 ILE A CG2 1 ATOM 1789 C CD1 . ILE A 1 109 ? 19.288 -1.354 48.361 1.00 10.43 ? 109 ILE A CD1 1 ATOM 1790 H H . ILE A 1 109 ? 21.322 -4.930 47.741 1.00 7.01 ? 109 ILE A H 1 ATOM 1791 H HA . ILE A 1 109 ? 18.761 -4.001 47.887 1.00 7.99 ? 109 ILE A HA 1 ATOM 1792 H HB . ILE A 1 109 ? 20.691 -3.247 45.959 1.00 8.99 ? 109 ILE A HB 1 ATOM 1793 H HG12 . ILE A 1 109 ? 21.102 -2.130 47.931 1.00 12.29 ? 109 ILE A HG12 1 ATOM 1794 H HG13 . ILE A 1 109 ? 20.595 -1.097 46.843 1.00 12.29 ? 109 ILE A HG13 1 ATOM 1795 H HG21 . ILE A 1 109 ? 19.054 -1.855 45.034 1.00 11.53 ? 109 ILE A HG21 1 ATOM 1796 H HG22 . ILE A 1 109 ? 18.612 -3.362 44.956 1.00 11.53 ? 109 ILE A HG22 1 ATOM 1797 H HG23 . ILE A 1 109 ? 18.003 -2.420 46.058 1.00 11.53 ? 109 ILE A HG23 1 ATOM 1798 H HD11 . ILE A 1 109 ? 19.651 -0.631 48.878 1.00 12.51 ? 109 ILE A HD11 1 ATOM 1799 H HD12 . ILE A 1 109 ? 18.528 -1.049 47.860 1.00 12.51 ? 109 ILE A HD12 1 ATOM 1800 H HD13 . ILE A 1 109 ? 19.031 -2.075 48.940 1.00 12.51 ? 109 ILE A HD13 1 ATOM 1801 N N . ASN A 1 110 ? 17.925 -5.883 46.514 1.00 7.84 ? 110 ASN A N 1 ATOM 1802 C CA . ASN A 1 110 ? 17.457 -7.066 45.768 1.00 9.29 ? 110 ASN A CA 1 ATOM 1803 C C . ASN A 1 110 ? 18.433 -8.205 45.915 1.00 9.27 ? 110 ASN A C 1 ATOM 1804 O O . ASN A 1 110 ? 18.749 -8.899 44.925 1.00 12.82 ? 110 ASN A O 1 ATOM 1805 C CB . ASN A 1 110 ? 17.245 -6.725 44.307 1.00 10.98 ? 110 ASN A CB 1 ATOM 1806 C CG . ASN A 1 110 ? 16.192 -5.695 44.100 1.00 12.58 ? 110 ASN A CG 1 ATOM 1807 O OD1 . ASN A 1 110 ? 15.230 -5.601 44.853 1.00 12.27 ? 110 ASN A OD1 1 ATOM 1808 N ND2 . ASN A 1 110 ? 16.376 -4.879 43.091 1.00 16.36 ? 110 ASN A ND2 1 ATOM 1809 H H . ASN A 1 110 ? 17.322 -5.545 47.025 1.00 9.39 ? 110 ASN A H 1 ATOM 1810 H HA . ASN A 1 110 ? 16.597 -7.355 46.138 1.00 11.14 ? 110 ASN A HA 1 ATOM 1811 H HB2 . ASN A 1 110 ? 18.075 -6.383 43.939 1.00 13.17 ? 110 ASN A HB2 1 ATOM 1812 H HB3 . ASN A 1 110 ? 16.977 -7.527 43.832 1.00 13.17 ? 110 ASN A HB3 1 ATOM 1813 H HD21 . ASN A 1 110 ? 15.718 -4.178 42.901 1.00 19.62 ? 110 ASN A HD21 1 ATOM 1814 H HD22 . ASN A 1 110 ? 17.171 -4.971 42.525 1.00 19.62 ? 110 ASN A HD22 1 ATOM 1815 N N . GLY A 1 111 ? 18.885 -8.402 47.140 1.00 7.71 ? 111 GLY A N 1 ATOM 1816 C CA . GLY A 1 111 ? 19.753 -9.524 47.442 1.00 10.20 ? 111 GLY A CA 1 ATOM 1817 C C . GLY A 1 111 ? 21.212 -9.341 47.021 1.00 12.26 ? 111 GLY A C 1 ATOM 1818 O O . GLY A 1 111 ? 21.993 -10.287 47.149 1.00 15.59 ? 111 GLY A O 1 ATOM 1819 H H . GLY A 1 111 ? 18.704 -7.900 47.815 1.00 9.24 ? 111 GLY A H 1 ATOM 1820 H HA2 . GLY A 1 111 ? 19.736 -9.687 48.398 1.00 12.23 ? 111 GLY A HA2 1 ATOM 1821 H HA3 . GLY A 1 111 ? 19.411 -10.315 46.997 1.00 12.23 ? 111 GLY A HA3 1 ATOM 1822 N N . THR A 1 112 ? 21.588 -8.189 46.509 1.00 9.24 ? 112 THR A N 1 ATOM 1823 C CA . THR A 1 112 ? 22.961 -7.954 46.091 1.00 9.67 ? 112 THR A CA 1 ATOM 1824 C C . THR A 1 112 ? 23.623 -6.973 47.047 1.00 7.79 ? 112 THR A C 1 ATOM 1825 O O . THR A 1 112 ? 23.074 -5.919 47.360 1.00 8.40 ? 112 THR A O 1 ATOM 1826 C CB . THR A 1 112 ? 23.016 -7.319 44.726 1.00 14.30 ? 112 THR A CB 1 ATOM 1827 O OG1 . THR A 1 112 ? 22.355 -6.071 44.750 1.00 31.71 ? 112 THR A OG1 1 ATOM 1828 C CG2 . THR A 1 112 ? 22.372 -8.210 43.710 1.00 12.90 ? 112 THR A CG2 1 ATOM 1829 H H . THR A 1 112 ? 21.065 -7.516 46.390 1.00 11.07 ? 112 THR A H 1 ATOM 1830 H HA . THR A 1 112 ? 23.466 -8.793 46.082 1.00 11.59 ? 112 THR A HA 1 ATOM 1831 H HB . THR A 1 112 ? 23.942 -7.186 44.472 1.00 17.15 ? 112 THR A HB 1 ATOM 1832 H HG1 . THR A 1 112 ? 21.571 -6.173 44.966 1.00 38.04 ? 112 THR A HG1 1 ATOM 1833 H HG21 . THR A 1 112 ? 22.411 -7.799 42.843 1.00 15.47 ? 112 THR A HG21 1 ATOM 1834 H HG22 . THR A 1 112 ? 22.830 -9.053 43.677 1.00 15.47 ? 112 THR A HG22 1 ATOM 1835 H HG23 . THR A 1 112 ? 21.454 -8.362 43.943 1.00 15.47 ? 112 THR A HG23 1 ATOM 1836 N N . PRO A 1 113 ? 24.810 -7.318 47.528 1.00 6.55 ? 113 PRO A N 1 ATOM 1837 C CA . PRO A 1 113 ? 25.501 -6.421 48.459 1.00 6.76 ? 113 PRO A CA 1 ATOM 1838 C C . PRO A 1 113 ? 26.113 -5.211 47.772 1.00 6.22 ? 113 PRO A C 1 ATOM 1839 O O . PRO A 1 113 ? 26.756 -5.318 46.722 1.00 7.47 ? 113 PRO A O 1 ATOM 1840 C CB . PRO A 1 113 ? 26.597 -7.315 49.047 1.00 6.46 ? 113 PRO A CB 1 ATOM 1841 C CG . PRO A 1 113 ? 26.882 -8.295 47.986 1.00 7.94 ? 113 PRO A CG 1 ATOM 1842 C CD . PRO A 1 113 ? 25.573 -8.556 47.279 1.00 7.09 ? 113 PRO A CD 1 ATOM 1843 H HA . PRO A 1 113 ? 24.896 -6.127 49.171 1.00 8.09 ? 113 PRO A HA 1 ATOM 1844 H HB2 . PRO A 1 113 ? 27.383 -6.783 49.246 1.00 7.74 ? 113 PRO A HB2 1 ATOM 1845 H HB3 . PRO A 1 113 ? 26.267 -7.757 49.845 1.00 7.74 ? 113 PRO A HB3 1 ATOM 1846 H HG2 . PRO A 1 113 ? 27.532 -7.923 47.369 1.00 9.51 ? 113 PRO A HG2 1 ATOM 1847 H HG3 . PRO A 1 113 ? 27.222 -9.112 48.384 1.00 9.51 ? 113 PRO A HG3 1 ATOM 1848 H HD2 . PRO A 1 113 ? 25.719 -8.679 46.328 1.00 8.49 ? 113 PRO A HD2 1 ATOM 1849 H HD3 . PRO A 1 113 ? 25.121 -9.318 47.673 1.00 8.49 ? 113 PRO A HD3 1 ATOM 1850 N N . LEU A 1 114 ? 25.911 -4.058 48.387 1.00 4.73 ? 114 LEU A N 1 ATOM 1851 C CA . LEU A 1 114 ? 26.570 -2.825 47.986 1.00 5.15 ? 114 LEU A CA 1 ATOM 1852 C C . LEU A 1 114 ? 27.934 -2.761 48.668 1.00 5.92 ? 114 LEU A C 1 ATOM 1853 O O . LEU A 1 114 ? 28.263 -3.549 49.563 1.00 6.74 ? 114 LEU A O 1 ATOM 1854 C CB . LEU A 1 114 ? 25.723 -1.611 48.328 1.00 5.61 ? 114 LEU A CB 1 ATOM 1855 C CG . LEU A 1 114 ? 24.296 -1.575 47.802 1.00 8.96 ? 114 LEU A CG 1 ATOM 1856 C CD1 . LEU A 1 114 ? 23.733 -0.138 47.819 1.00 7.15 ? 114 LEU A CD1 1 ATOM 1857 C CD2 . LEU A 1 114 ? 24.116 -2.231 46.477 1.00 10.72 ? 114 LEU A CD2 1 ATOM 1858 H H . LEU A 1 114 ? 25.382 -3.961 49.058 1.00 5.66 ? 114 LEU A H 1 ATOM 1859 H HA . LEU A 1 114 ? 26.713 -2.835 47.016 1.00 6.17 ? 114 LEU A HA 1 ATOM 1860 H HB2 . LEU A 1 114 ? 25.670 -1.545 49.294 1.00 6.72 ? 114 LEU A HB2 1 ATOM 1861 H HB3 . LEU A 1 114 ? 26.172 -0.824 47.980 1.00 6.72 ? 114 LEU A HB3 1 ATOM 1862 H HG . LEU A 1 114 ? 23.753 -2.082 48.426 1.00 10.74 ? 114 LEU A HG 1 ATOM 1863 H HD11 . LEU A 1 114 ? 22.834 -0.151 47.482 1.00 8.56 ? 114 LEU A HD11 1 ATOM 1864 H HD12 . LEU A 1 114 ? 23.740 0.190 48.721 1.00 8.56 ? 114 LEU A HD12 1 ATOM 1865 H HD13 . LEU A 1 114 ? 24.283 0.420 47.264 1.00 8.56 ? 114 LEU A HD13 1 ATOM 1866 H HD21 . LEU A 1 114 ? 23.194 -2.165 46.219 1.00 12.85 ? 114 LEU A HD21 1 ATOM 1867 H HD22 . LEU A 1 114 ? 24.670 -1.787 45.831 1.00 12.85 ? 114 LEU A HD22 1 ATOM 1868 H HD23 . LEU A 1 114 ? 24.372 -3.154 46.549 1.00 12.85 ? 114 LEU A HD23 1 ATOM 1869 N N . VAL A 1 115 ? 28.720 -1.774 48.277 1.00 5.06 ? 115 VAL A N 1 ATOM 1870 C CA . VAL A 1 115 ? 30.010 -1.578 48.919 1.00 5.56 ? 115 VAL A CA 1 ATOM 1871 C C . VAL A 1 115 ? 29.808 -1.163 50.355 1.00 4.91 ? 115 VAL A C 1 ATOM 1872 O O . VAL A 1 115 ? 28.985 -0.281 50.644 1.00 7.07 ? 115 VAL A O 1 ATOM 1873 C CB . VAL A 1 115 ? 30.841 -0.493 48.173 1.00 6.48 ? 115 VAL A CB 1 ATOM 1874 C CG1 . VAL A 1 115 ? 32.218 -0.262 48.845 1.00 6.58 ? 115 VAL A CG1 1 ATOM 1875 C CG2 . VAL A 1 115 ? 31.042 -0.872 46.722 1.00 7.33 ? 115 VAL A CG2 1 ATOM 1876 H H . VAL A 1 115 ? 28.536 -1.211 47.653 1.00 6.06 ? 115 VAL A H 1 ATOM 1877 H HA . VAL A 1 115 ? 30.514 -2.419 48.905 1.00 6.66 ? 115 VAL A HA 1 ATOM 1878 H HB . VAL A 1 115 ? 30.349 0.355 48.197 1.00 7.76 ? 115 VAL A HB 1 ATOM 1879 H HG11 . VAL A 1 115 ? 32.695 0.412 48.355 1.00 7.88 ? 115 VAL A HG11 1 ATOM 1880 H HG12 . VAL A 1 115 ? 32.079 0.026 49.750 1.00 7.88 ? 115 VAL A HG12 1 ATOM 1881 H HG13 . VAL A 1 115 ? 32.711 -1.086 48.835 1.00 7.88 ? 115 VAL A HG13 1 ATOM 1882 H HG21 . VAL A 1 115 ? 31.556 -0.186 46.289 1.00 8.78 ? 115 VAL A HG21 1 ATOM 1883 H HG22 . VAL A 1 115 ? 31.511 -1.709 46.680 1.00 8.78 ? 115 VAL A HG22 1 ATOM 1884 H HG23 . VAL A 1 115 ? 30.184 -0.955 46.299 1.00 8.78 ? 115 VAL A HG23 1 ATOM 1885 N N . LYS A 1 116 ? 30.535 -1.821 51.263 1.00 6.10 ? 116 LYS A N 1 ATOM 1886 C CA . LYS A 1 116 ? 30.453 -1.483 52.694 1.00 6.09 ? 116 LYS A CA 1 ATOM 1887 C C . LYS A 1 116 ? 31.018 -0.082 52.937 1.00 7.04 ? 116 LYS A C 1 ATOM 1888 O O . LYS A 1 116 ? 32.008 0.331 52.310 1.00 8.97 ? 116 LYS A O 1 ATOM 1889 C CB . LYS A 1 116 ? 31.253 -2.508 53.541 1.00 7.47 ? 116 LYS A CB 1 ATOM 1890 C CG . LYS A 1 116 ? 30.551 -3.858 53.717 1.00 10.03 ? 116 LYS A CG 1 ATOM 1891 C CD . LYS A 1 116 ? 31.558 -4.859 54.298 1.00 14.47 ? 116 LYS A CD 1 ATOM 1892 C CE . LYS A 1 116 ? 30.974 -6.152 54.814 1.00 22.70 ? 116 LYS A CE 1 ATOM 1893 N NZ . LYS A 1 116 ? 30.446 -6.968 53.668 1.00 15.75 ? 116 LYS A NZ 1 ATOM 1894 H H . LYS A 1 116 ? 31.080 -2.461 51.081 1.00 7.31 ? 116 LYS A H 1 ATOM 1895 H HA . LYS A 1 116 ? 29.517 -1.499 52.984 1.00 7.30 ? 116 LYS A HA 1 ATOM 1896 H HB2 . LYS A 1 116 ? 32.106 -2.673 53.108 1.00 8.95 ? 116 LYS A HB2 1 ATOM 1897 H HB3 . LYS A 1 116 ? 31.401 -2.135 54.424 1.00 8.95 ? 116 LYS A HB3 1 ATOM 1898 H HG2 . LYS A 1 116 ? 29.809 -3.765 54.335 1.00 12.02 ? 116 LYS A HG2 1 ATOM 1899 H HG3 . LYS A 1 116 ? 30.245 -4.185 52.856 1.00 12.02 ? 116 LYS A HG3 1 ATOM 1900 H HD2 . LYS A 1 116 ? 32.198 -5.087 53.605 1.00 17.35 ? 116 LYS A HD2 1 ATOM 1901 H HD3 . LYS A 1 116 ? 32.020 -4.435 55.038 1.00 17.35 ? 116 LYS A HD3 1 ATOM 1902 H HE2 . LYS A 1 116 ? 31.663 -6.664 55.265 1.00 27.22 ? 116 LYS A HE2 1 ATOM 1903 H HE3 . LYS A 1 116 ? 30.241 -5.959 55.419 1.00 27.22 ? 116 LYS A HE3 1 ATOM 1904 H HZ1 . LYS A 1 116 ? 30.074 -7.790 53.995 1.00 18.89 ? 116 LYS A HZ1 1 ATOM 1905 H HZ2 . LYS A 1 116 ? 29.762 -6.478 53.205 1.00 18.89 ? 116 LYS A HZ2 1 ATOM 1906 H HZ3 . LYS A 1 116 ? 31.156 -7.169 53.054 1.00 18.89 ? 116 LYS A HZ3 1 ATOM 1907 N N . LYS A 1 117 ? 30.402 0.617 53.879 1.00 7.63 ? 117 LYS A N 1 ATOM 1908 C CA . LYS A 1 117 ? 30.890 1.931 54.332 1.00 7.08 ? 117 LYS A CA 1 ATOM 1909 C C . LYS A 1 117 ? 30.933 1.883 55.839 1.00 8.27 ? 117 LYS A C 1 ATOM 1910 O O . LYS A 1 117 ? 30.495 0.897 56.442 1.00 11.32 ? 117 LYS A O 1 ATOM 1911 C CB . LYS A 1 117 ? 29.992 3.056 53.827 1.00 8.34 ? 117 LYS A CB 1 ATOM 1912 C CG . LYS A 1 117 ? 29.897 3.129 52.318 1.00 8.37 ? 117 LYS A CG 1 ATOM 1913 C CD . LYS A 1 117 ? 31.205 3.504 51.631 1.00 10.76 ? 117 LYS A CD 1 ATOM 1914 C CE . LYS A 1 117 ? 31.205 3.244 50.103 1.00 10.00 ? 117 LYS A CE 1 ATOM 1915 N NZ . LYS A 1 117 ? 30.230 4.128 49.412 1.00 10.12 ? 117 LYS A NZ 1 ATOM 1916 H H . LYS A 1 117 ? 29.689 0.355 54.282 1.00 9.15 ? 117 LYS A H 1 ATOM 1917 H HA . LYS A 1 117 ? 31.798 2.079 53.996 1.00 8.48 ? 117 LYS A HA 1 ATOM 1918 H HB2 . LYS A 1 117 ? 29.097 2.922 54.174 1.00 10.00 ? 117 LYS A HB2 1 ATOM 1919 H HB3 . LYS A 1 117 ? 30.345 3.903 54.143 1.00 10.00 ? 117 LYS A HB3 1 ATOM 1920 H HG2 . LYS A 1 117 ? 29.624 2.262 51.980 1.00 10.04 ? 117 LYS A HG2 1 ATOM 1921 H HG3 . LYS A 1 117 ? 29.236 3.797 52.079 1.00 10.04 ? 117 LYS A HG3 1 ATOM 1922 H HD2 . LYS A 1 117 ? 31.372 4.449 51.771 1.00 12.90 ? 117 LYS A HD2 1 ATOM 1923 H HD3 . LYS A 1 117 ? 31.923 2.982 52.021 1.00 12.90 ? 117 LYS A HD3 1 ATOM 1924 H HE2 . LYS A 1 117 ? 32.088 3.425 49.746 1.00 11.99 ? 117 LYS A HE2 1 ATOM 1925 H HE3 . LYS A 1 117 ? 30.954 2.322 49.934 1.00 11.99 ? 117 LYS A HE3 1 ATOM 1926 H HZ1 . LYS A 1 117 ? 30.457 5.049 49.564 1.00 12.13 ? 117 LYS A HZ1 1 ATOM 1927 H HZ2 . LYS A 1 117 ? 30.242 3.955 48.468 1.00 12.13 ? 117 LYS A HZ2 1 ATOM 1928 H HZ3 . LYS A 1 117 ? 29.345 3.967 49.748 1.00 12.13 ? 117 LYS A HZ3 1 ATOM 1929 N N . GLY A 1 118 ? 31.522 2.881 56.486 1.00 6.80 ? 118 GLY A N 1 ATOM 1930 C CA . GLY A 1 118 ? 31.642 2.848 57.934 1.00 7.82 ? 118 GLY A CA 1 ATOM 1931 C C . GLY A 1 118 ? 31.391 4.211 58.544 1.00 8.90 ? 118 GLY A C 1 ATOM 1932 O O . GLY A 1 118 ? 31.766 5.247 58.015 1.00 9.65 ? 118 GLY A O 1 ATOM 1933 H H . GLY A 1 118 ? 31.857 3.580 56.113 1.00 8.15 ? 118 GLY A H 1 ATOM 1934 H HA2 . GLY A 1 118 ? 30.998 2.222 58.300 1.00 9.37 ? 118 GLY A HA2 1 ATOM 1935 H HA3 . GLY A 1 118 ? 32.533 2.557 58.181 1.00 9.37 ? 118 GLY A HA3 1 ATOM 1936 N N . LEU A 1 119 ? 30.740 4.171 59.697 1.00 9.04 ? 119 LEU A N 1 ATOM 1937 C CA . LEU A 1 119 ? 30.407 5.379 60.458 1.00 7.38 ? 119 LEU A CA 1 ATOM 1938 C C . LEU A 1 119 ? 30.135 5.005 61.920 1.00 8.31 ? 119 LEU A C 1 ATOM 1939 O O . LEU A 1 119 ? 29.697 3.908 62.251 1.00 8.91 ? 119 LEU A O 1 ATOM 1940 C CB . LEU A 1 119 ? 29.182 6.130 59.904 1.00 8.52 ? 119 LEU A CB 1 ATOM 1941 C CG . LEU A 1 119 ? 27.782 5.548 60.091 1.00 7.82 ? 119 LEU A CG 1 ATOM 1942 C CD1 . LEU A 1 119 ? 26.755 6.523 59.632 1.00 9.37 ? 119 LEU A CD1 1 ATOM 1943 C CD2 . LEU A 1 119 ? 27.638 4.186 59.370 1.00 9.94 ? 119 LEU A CD2 1 ATOM 1944 H H . LEU A 1 119 ? 30.473 3.445 60.071 1.00 10.83 ? 119 LEU A H 1 ATOM 1945 H HA . LEU A 1 119 ? 31.173 5.990 60.438 1.00 8.85 ? 119 LEU A HA 1 ATOM 1946 H HB2 . LEU A 1 119 ? 29.172 7.010 60.312 1.00 10.21 ? 119 LEU A HB2 1 ATOM 1947 H HB3 . LEU A 1 119 ? 29.312 6.233 58.948 1.00 10.21 ? 119 LEU A HB3 1 ATOM 1948 H HG . LEU A 1 119 ? 27.636 5.395 61.038 1.00 9.38 ? 119 LEU A HG 1 ATOM 1949 H HD11 . LEU A 1 119 ? 25.884 6.141 59.757 1.00 11.23 ? 119 LEU A HD11 1 ATOM 1950 H HD12 . LEU A 1 119 ? 26.837 7.329 60.147 1.00 11.23 ? 119 LEU A HD12 1 ATOM 1951 H HD13 . LEU A 1 119 ? 26.899 6.713 58.702 1.00 11.23 ? 119 LEU A HD13 1 ATOM 1952 H HD21 . LEU A 1 119 ? 26.749 3.851 59.509 1.00 11.91 ? 119 LEU A HD21 1 ATOM 1953 H HD22 . LEU A 1 119 ? 27.799 4.311 58.431 1.00 11.91 ? 119 LEU A HD22 1 ATOM 1954 H HD23 . LEU A 1 119 ? 28.280 3.571 59.733 1.00 11.91 ? 119 LEU A HD23 1 ATOM 1955 N N . ARG A 1 120 ? 30.400 5.973 62.787 1.00 8.53 ? 120 ARG A N 1 ATOM 1956 C CA . ARG A 1 120 ? 29.964 5.884 64.183 1.00 7.50 ? 120 ARG A CA 1 ATOM 1957 C C . ARG A 1 120 ? 30.497 4.676 64.924 1.00 9.59 ? 120 ARG A C 1 ATOM 1958 O O . ARG A 1 120 ? 29.849 4.104 65.820 1.00 10.52 ? 120 ARG A O 1 ATOM 1959 C CB . ARG A 1 120 ? 28.428 5.962 64.286 1.00 11.05 ? 120 ARG A CB 1 ATOM 1960 C CG . ARG A 1 120 ? 27.912 7.341 64.093 1.00 11.91 ? 120 ARG A CG 1 ATOM 1961 C CD . ARG A 1 120 ? 28.308 8.189 65.322 1.00 15.61 ? 120 ARG A CD 1 ATOM 1962 N NE . ARG A 1 120 ? 27.455 9.334 65.460 1.00 17.16 ? 120 ARG A NE 1 ATOM 1963 C CZ . ARG A 1 120 ? 27.604 10.236 66.437 1.00 13.13 ? 120 ARG A CZ 1 ATOM 1964 N NH1 . ARG A 1 120 ? 28.569 10.114 67.333 1.00 17.07 ? 120 ARG A NH1 1 ATOM 1965 N NH2 . ARG A 1 120 ? 26.779 11.239 66.509 1.00 15.51 ? 120 ARG A NH2 1 ATOM 1966 H H . ARG A 1 120 ? 30.830 6.693 62.597 1.00 10.22 ? 120 ARG A H 1 ATOM 1967 H HA . ARG A 1 120 ? 30.315 6.671 64.650 1.00 8.99 ? 120 ARG A HA 1 ATOM 1968 H HB2 . ARG A 1 120 ? 28.035 5.397 63.603 1.00 13.25 ? 120 ARG A HB2 1 ATOM 1969 H HB3 . ARG A 1 120 ? 28.153 5.660 65.166 1.00 13.25 ? 120 ARG A HB3 1 ATOM 1970 H HG2 . ARG A 1 120 ? 28.310 7.734 63.300 1.00 14.27 ? 120 ARG A HG2 1 ATOM 1971 H HG3 . ARG A 1 120 ? 26.945 7.325 64.022 1.00 14.27 ? 120 ARG A HG3 1 ATOM 1972 H HD2 . ARG A 1 120 ? 28.226 7.649 66.124 1.00 18.72 ? 120 ARG A HD2 1 ATOM 1973 H HD3 . ARG A 1 120 ? 29.221 8.499 65.217 1.00 18.72 ? 120 ARG A HD3 1 ATOM 1974 H HE . ARG A 1 120 ? 26.880 9.565 64.714 1.00 20.58 ? 120 ARG A HE 1 ATOM 1975 H HH11 . ARG A 1 120 ? 29.112 9.448 67.292 1.00 20.48 ? 120 ARG A HH11 1 ATOM 1976 H HH12 . ARG A 1 120 ? 28.655 10.701 67.955 1.00 20.48 ? 120 ARG A HH12 1 ATOM 1977 H HH21 . ARG A 1 120 ? 26.152 11.323 65.926 1.00 18.60 ? 120 ARG A HH21 1 ATOM 1978 H HH22 . ARG A 1 120 ? 26.870 11.827 67.130 1.00 18.60 ? 120 ARG A HH22 1 ATOM 1979 N N . GLN A 1 121 ? 31.712 4.251 64.607 1.00 9.86 ? 121 GLN A N 1 ATOM 1980 C CA . GLN A 1 121 ? 32.291 3.176 65.332 1.00 10.01 ? 121 GLN A CA 1 ATOM 1981 C C . GLN A 1 121 ? 32.313 3.466 66.837 1.00 12.20 ? 121 GLN A C 1 ATOM 1982 O O . GLN A 1 121 ? 32.748 4.560 67.245 1.00 12.04 ? 121 GLN A O 1 ATOM 1983 C CB . GLN A 1 121 ? 33.727 2.914 64.841 1.00 11.88 ? 121 GLN A CB 1 ATOM 1984 C CG . GLN A 1 121 ? 34.416 1.779 65.548 1.00 11.12 ? 121 GLN A CG 1 ATOM 1985 C CD . GLN A 1 121 ? 35.827 1.489 65.043 1.00 13.95 ? 121 GLN A CD 1 ATOM 1986 O OE1 . GLN A 1 121 ? 36.555 2.408 64.634 1.00 14.42 ? 121 GLN A OE1 1 ATOM 1987 N NE2 . GLN A 1 121 ? 36.227 0.224 65.096 1.00 13.93 ? 121 GLN A NE2 1 ATOM 1988 H H . GLN A 1 121 ? 32.204 4.574 63.980 1.00 11.82 ? 121 GLN A H 1 ATOM 1989 H HA . GLN A 1 121 ? 31.763 2.364 65.183 1.00 12.00 ? 121 GLN A HA 1 ATOM 1990 H HB2 . GLN A 1 121 ? 33.700 2.701 63.895 1.00 14.24 ? 121 GLN A HB2 1 ATOM 1991 H HB3 . GLN A 1 121 ? 34.256 3.715 64.982 1.00 14.24 ? 121 GLN A HB3 1 ATOM 1992 H HG2 . GLN A 1 121 ? 34.478 1.994 66.492 1.00 13.33 ? 121 GLN A HG2 1 ATOM 1993 H HG3 . GLN A 1 121 ? 33.889 0.974 65.430 1.00 13.33 ? 121 GLN A HG3 1 ATOM 1994 H HE21 . GLN A 1 121 ? 37.014 0.010 64.823 1.00 16.71 ? 121 GLN A HE21 1 ATOM 1995 H HE22 . GLN A 1 121 ? 35.699 -0.381 65.403 1.00 16.71 ? 121 GLN A HE22 1 ATOM 1996 N N . GLY A 1 122 ? 31.785 2.534 67.620 1.00 10.82 ? 122 GLY A N 1 ATOM 1997 C CA . GLY A 1 122 ? 31.735 2.665 69.085 1.00 10.34 ? 122 GLY A CA 1 ATOM 1998 C C . GLY A 1 122 ? 30.474 3.308 69.634 1.00 12.46 ? 122 GLY A C 1 ATOM 1999 O O . GLY A 1 122 ? 30.260 3.328 70.863 1.00 15.41 ? 122 GLY A O 1 ATOM 2000 H H . GLY A 1 122 ? 31.441 1.801 67.328 1.00 12.98 ? 122 GLY A H 1 ATOM 2001 H HA2 . GLY A 1 122 ? 31.818 1.784 69.482 1.00 12.39 ? 122 GLY A HA2 1 ATOM 2002 H HA3 . GLY A 1 122 ? 32.492 3.197 69.378 1.00 12.39 ? 122 GLY A HA3 1 ATOM 2003 N N . TYR A 1 123 ? 29.626 3.833 68.759 1.00 11.67 ? 123 TYR A N 1 ATOM 2004 C CA . TYR A 1 123 ? 28.414 4.568 69.145 1.00 11.05 ? 123 TYR A CA 1 ATOM 2005 C C . TYR A 1 123 ? 27.323 3.586 69.550 1.00 14.12 ? 123 TYR A C 1 ATOM 2006 O O . TYR A 1 123 ? 27.320 2.432 69.122 1.00 13.85 ? 123 TYR A O 1 ATOM 2007 C CB . TYR A 1 123 ? 27.928 5.422 67.964 1.00 12.82 ? 123 TYR A CB 1 ATOM 2008 C CG . TYR A 1 123 ? 26.745 6.332 68.173 1.00 14.89 ? 123 TYR A CG 1 ATOM 2009 C CD1 . TYR A 1 123 ? 26.869 7.532 68.861 1.00 15.09 ? 123 TYR A CD1 1 ATOM 2010 C CD2 . TYR A 1 123 ? 25.518 6.015 67.631 1.00 14.26 ? 123 TYR A CD2 1 ATOM 2011 C CE1 . TYR A 1 123 ? 25.817 8.375 69.011 1.00 14.94 ? 123 TYR A CE1 1 ATOM 2012 C CE2 . TYR A 1 123 ? 24.436 6.858 67.796 1.00 14.72 ? 123 TYR A CE2 1 ATOM 2013 C CZ . TYR A 1 123 ? 24.601 8.039 68.500 1.00 15.02 ? 123 TYR A CZ 1 ATOM 2014 O OH . TYR A 1 123 ? 23.545 8.909 68.694 1.00 17.97 ? 123 TYR A OH 1 ATOM 2015 H H . TYR A 1 123 ? 29.730 3.777 67.907 1.00 13.99 ? 123 TYR A H 1 ATOM 2016 H HA . TYR A 1 123 ? 28.608 5.157 69.903 1.00 13.25 ? 123 TYR A HA 1 ATOM 2017 H HB2 . TYR A 1 123 ? 28.666 5.984 67.681 1.00 15.37 ? 123 TYR A HB2 1 ATOM 2018 H HB3 . TYR A 1 123 ? 27.694 4.820 67.240 1.00 15.37 ? 123 TYR A HB3 1 ATOM 2019 H HD1 . TYR A 1 123 ? 27.696 7.769 69.215 1.00 18.10 ? 123 TYR A HD1 1 ATOM 2020 H HD2 . TYR A 1 123 ? 25.413 5.219 67.162 1.00 17.10 ? 123 TYR A HD2 1 ATOM 2021 H HE1 . TYR A 1 123 ? 25.918 9.164 69.493 1.00 17.91 ? 123 TYR A HE1 1 ATOM 2022 H HE2 . TYR A 1 123 ? 23.606 6.632 67.443 1.00 17.66 ? 123 TYR A HE2 1 ATOM 2023 H HH . TYR A 1 123 ? 22.945 8.533 69.109 1.00 21.56 ? 123 TYR A HH 1 ATOM 2024 N N . PHE A 1 124 ? 26.407 4.038 70.411 1.00 14.39 ? 124 PHE A N 1 ATOM 2025 C CA . PHE A 1 124 ? 25.230 3.249 70.752 1.00 16.38 ? 124 PHE A CA 1 ATOM 2026 C C . PHE A 1 124 ? 24.020 4.046 70.270 1.00 16.94 ? 124 PHE A C 1 ATOM 2027 O O . PHE A 1 124 ? 23.856 5.210 70.631 1.00 18.06 ? 124 PHE A O 1 ATOM 2028 C CB . PHE A 1 124 ? 25.121 3.079 72.257 1.00 20.18 ? 124 PHE A CB 1 ATOM 2029 C CG . PHE A 1 124 ? 26.107 2.136 72.855 1.00 23.43 ? 124 PHE A CG 1 ATOM 2030 C CD1 . PHE A 1 124 ? 27.461 2.414 72.851 1.00 31.91 ? 124 PHE A CD1 1 ATOM 2031 C CD2 . PHE A 1 124 ? 25.667 1.002 73.506 1.00 38.26 ? 124 PHE A CD2 1 ATOM 2032 C CE1 . PHE A 1 124 ? 28.363 1.547 73.439 1.00 37.38 ? 124 PHE A CE1 1 ATOM 2033 C CE2 . PHE A 1 124 ? 26.557 0.131 74.092 1.00 43.95 ? 124 PHE A CE2 1 ATOM 2034 C CZ . PHE A 1 124 ? 27.911 0.403 74.058 1.00 41.69 ? 124 PHE A CZ 1 ATOM 2035 H H . PHE A 1 124 ? 26.448 4.799 70.808 1.00 17.25 ? 124 PHE A H 1 ATOM 2036 H HA . PHE A 1 124 ? 25.252 2.372 70.314 1.00 19.65 ? 124 PHE A HA 1 ATOM 2037 H HB2 . PHE A 1 124 ? 25.252 3.944 72.675 1.00 24.20 ? 124 PHE A HB2 1 ATOM 2038 H HB3 . PHE A 1 124 ? 24.234 2.747 72.467 1.00 24.20 ? 124 PHE A HB3 1 ATOM 2039 H HD1 . PHE A 1 124 ? 27.770 3.183 72.430 1.00 38.27 ? 124 PHE A HD1 1 ATOM 2040 H HD2 . PHE A 1 124 ? 24.758 0.811 73.528 1.00 45.90 ? 124 PHE A HD2 1 ATOM 2041 H HE1 . PHE A 1 124 ? 29.274 1.734 73.412 1.00 44.85 ? 124 PHE A HE1 1 ATOM 2042 H HE2 . PHE A 1 124 ? 26.247 -0.640 74.509 1.00 52.73 ? 124 PHE A HE2 1 ATOM 2043 H HZ . PHE A 1 124 ? 28.514 -0.183 74.454 1.00 50.02 ? 124 PHE A HZ 1 ATOM 2044 N N . VAL A 1 125 ? 23.167 3.438 69.435 1.00 18.74 ? 125 VAL A N 1 ATOM 2045 C CA . VAL A 1 125 ? 21.946 4.092 68.964 1.00 17.27 ? 125 VAL A CA 1 ATOM 2046 C C . VAL A 1 125 ? 20.980 4.175 70.136 1.00 17.67 ? 125 VAL A C 1 ATOM 2047 O O . VAL A 1 125 ? 20.754 3.188 70.826 1.00 18.24 ? 125 VAL A O 1 ATOM 2048 C CB . VAL A 1 125 ? 21.326 3.313 67.792 1.00 15.80 ? 125 VAL A CB 1 ATOM 2049 C CG1 . VAL A 1 125 ? 19.938 3.849 67.444 1.00 19.25 ? 125 VAL A CG1 1 ATOM 2050 C CG2 . VAL A 1 125 ? 22.249 3.381 66.568 1.00 17.19 ? 125 VAL A CG2 1 ATOM 2051 H H . VAL A 1 125 ? 23.277 2.642 69.128 1.00 22.48 ? 125 VAL A H 1 ATOM 2052 H HA . VAL A 1 125 ? 22.153 5.001 68.662 1.00 20.72 ? 125 VAL A HA 1 ATOM 2053 H HB . VAL A 1 125 ? 21.232 2.371 68.049 1.00 18.95 ? 125 VAL A HB 1 ATOM 2054 H HG11 . VAL A 1 125 ? 19.582 3.341 66.712 1.00 23.08 ? 125 VAL A HG11 1 ATOM 2055 H HG12 . VAL A 1 125 ? 19.368 3.761 68.212 1.00 23.08 ? 125 VAL A HG12 1 ATOM 2056 H HG13 . VAL A 1 125 ? 20.014 4.773 67.197 1.00 23.08 ? 125 VAL A HG13 1 ATOM 2057 H HG21 . VAL A 1 125 ? 21.848 2.890 65.847 1.00 20.62 ? 125 VAL A HG21 1 ATOM 2058 H HG22 . VAL A 1 125 ? 22.364 4.300 66.315 1.00 20.62 ? 125 VAL A HG22 1 ATOM 2059 H HG23 . VAL A 1 125 ? 23.098 2.994 66.795 1.00 20.62 ? 125 VAL A HG23 1 ATOM 2060 N N . GLU A 1 126 ? 20.438 5.360 70.372 1.00 21.10 ? 126 GLU A N 1 ATOM 2061 C CA A GLU A 1 126 ? 19.638 5.533 71.584 0.46 24.32 ? 126 GLU A CA 1 ATOM 2062 C CA B GLU A 1 126 ? 19.622 5.605 71.563 0.54 24.04 ? 126 GLU A CA 1 ATOM 2063 C C . GLU A 1 126 ? 18.324 4.788 71.457 1.00 30.22 ? 126 GLU A C 1 ATOM 2064 O O . GLU A 1 126 ? 17.842 4.539 70.351 1.00 23.47 ? 126 GLU A O 1 ATOM 2065 C CB A GLU A 1 126 ? 19.394 7.001 71.910 0.46 26.89 ? 126 GLU A CB 1 ATOM 2066 C CB B GLU A 1 126 ? 19.336 7.112 71.713 0.54 24.85 ? 126 GLU A CB 1 ATOM 2067 C CG A GLU A 1 126 ? 20.244 7.513 73.077 0.46 32.76 ? 126 GLU A CG 1 ATOM 2068 C CG B GLU A 1 126 ? 20.484 8.046 71.238 0.54 28.32 ? 126 GLU A CG 1 ATOM 2069 C CD A GLU A 1 126 ? 20.258 6.572 74.288 0.46 32.99 ? 126 GLU A CD 1 ATOM 2070 C CD B GLU A 1 126 ? 21.033 8.984 72.296 0.54 34.49 ? 126 GLU A CD 1 ATOM 2071 O OE1 A GLU A 1 126 ? 19.178 6.134 74.749 0.46 26.93 ? 126 GLU A OE1 1 ATOM 2072 O OE1 B GLU A 1 126 ? 21.667 8.495 73.259 0.54 39.68 ? 126 GLU A OE1 1 ATOM 2073 O OE2 A GLU A 1 126 ? 21.363 6.277 74.790 0.46 39.44 ? 126 GLU A OE2 1 ATOM 2074 O OE2 B GLU A 1 126 ? 20.878 10.219 72.139 0.54 29.05 ? 126 GLU A OE2 1 ATOM 2075 H H A GLU A 1 126 ? 20.509 6.056 69.872 0.46 25.31 ? 126 GLU A H 1 ATOM 2076 H H B GLU A 1 126 ? 20.524 6.045 69.859 0.54 25.31 ? 126 GLU A H 1 ATOM 2077 H HA A GLU A 1 126 ? 20.128 5.141 72.338 0.46 29.17 ? 126 GLU A HA 1 ATOM 2078 H HA B GLU A 1 126 ? 20.111 5.305 72.357 0.54 28.84 ? 126 GLU A HA 1 ATOM 2079 H HB2 A GLU A 1 126 ? 19.607 7.536 71.129 0.46 32.25 ? 126 GLU A HB2 1 ATOM 2080 H HB2 B GLU A 1 126 ? 18.547 7.330 71.193 0.54 29.81 ? 126 GLU A HB2 1 ATOM 2081 H HB3 A GLU A 1 126 ? 18.461 7.119 72.147 0.46 32.25 ? 126 GLU A HB3 1 ATOM 2082 H HB3 B GLU A 1 126 ? 19.172 7.303 72.649 0.54 29.81 ? 126 GLU A HB3 1 ATOM 2083 H HG2 A GLU A 1 126 ? 21.160 7.620 72.774 0.46 39.30 ? 126 GLU A HG2 1 ATOM 2084 H HG2 B GLU A 1 126 ? 21.220 7.496 70.926 0.54 33.97 ? 126 GLU A HG2 1 ATOM 2085 H HG3 A GLU A 1 126 ? 19.892 8.368 73.370 0.46 39.30 ? 126 GLU A HG3 1 ATOM 2086 H HG3 B GLU A 1 126 ? 20.155 8.592 70.507 0.54 33.97 ? 126 GLU A HG3 1 ATOM 2087 N N . ALA A 1 127 ? 17.766 4.386 72.599 1.00 28.75 ? 127 ALA A N 1 ATOM 2088 C CA . ALA A 1 127 ? 16.504 3.653 72.623 1.00 34.31 ? 127 ALA A CA 1 ATOM 2089 C C . ALA A 1 127 ? 15.320 4.599 72.879 1.00 19.25 ? 127 ALA A C 1 ATOM 2090 O O . ALA A 1 127 ? 15.467 5.844 72.797 1.00 25.06 ? 127 ALA A O 1 ATOM 2091 C CB . ALA A 1 127 ? 16.549 2.554 73.676 1.00 42.73 ? 127 ALA A CB 1 ATOM 2092 H H . ALA A 1 127 ? 18.102 4.528 73.377 1.00 34.49 ? 127 ALA A H 1 ATOM 2093 H HA . ALA A 1 127 ? 16.367 3.228 71.751 1.00 41.16 ? 127 ALA A HA 1 ATOM 2094 H HB1 . ALA A 1 127 ? 15.711 2.086 73.674 1.00 51.26 ? 127 ALA A HB1 1 ATOM 2095 H HB2 . ALA A 1 127 ? 17.263 1.948 73.465 1.00 51.26 ? 127 ALA A HB2 1 ATOM 2096 H HB3 . ALA A 1 127 ? 16.700 2.952 74.536 1.00 51.26 ? 127 ALA A HB3 1 ATOM 2097 N N . GLN A 1 128 ? 14.171 3.992 73.165 1.00 27.99 ? 128 GLN A N 1 ATOM 2098 C CA . GLN A 1 128 ? 12.873 4.688 73.247 1.00 32.03 ? 128 GLN A CA 1 ATOM 2099 C C . GLN A 1 128 ? 12.597 5.508 72.000 1.00 27.24 ? 128 GLN A C 1 ATOM 2100 O O . GLN A 1 128 ? 12.366 6.704 72.073 1.00 23.24 ? 128 GLN A O 1 ATOM 2101 C CB . GLN A 1 128 ? 12.794 5.610 74.482 1.00 36.54 ? 128 GLN A CB 1 ATOM 2102 C CG . GLN A 1 128 ? 13.307 5.020 75.798 1.00 44.16 ? 128 GLN A CG 1 ATOM 2103 C CD . GLN A 1 128 ? 12.676 3.686 76.160 1.00 55.82 ? 128 GLN A CD 1 ATOM 2104 O OE1 . GLN A 1 128 ? 12.704 2.737 75.374 1.00 66.52 ? 128 GLN A OE1 1 ATOM 2105 N NE2 . GLN A 1 128 ? 12.121 3.601 77.372 1.00 62.99 ? 128 GLN A NE2 1 ATOM 2106 H H . GLN A 1 128 ? 14.110 3.149 73.323 1.00 33.58 ? 128 GLN A H 1 ATOM 2107 H HA . GLN A 1 128 ? 12.161 4.018 73.328 1.00 38.42 ? 128 GLN A HA 1 ATOM 2108 H HB2 . GLN A 1 128 ? 13.317 6.407 74.301 1.00 43.83 ? 128 GLN A HB2 1 ATOM 2109 H HB3 . GLN A 1 128 ? 11.867 5.858 74.619 1.00 43.83 ? 128 GLN A HB3 1 ATOM 2110 H HG2 . GLN A 1 128 ? 14.265 4.885 75.727 1.00 52.98 ? 128 GLN A HG2 1 ATOM 2111 H HG3 . GLN A 1 128 ? 13.115 5.643 76.516 1.00 52.98 ? 128 GLN A HG3 1 ATOM 2112 H HE21 . GLN A 1 128 ? 11.750 2.867 77.624 1.00 75.57 ? 128 GLN A HE21 1 ATOM 2113 H HE22 . GLN A 1 128 ? 12.133 4.280 77.899 1.00 75.57 ? 128 GLN A HE22 1 ATOM 2114 N N . PRO A 1 129 ? 12.661 4.863 70.818 1.00 19.97 ? 129 PRO A N 1 ATOM 2115 C CA . PRO A 1 129 ? 12.459 5.608 69.577 1.00 19.67 ? 129 PRO A CA 1 ATOM 2116 C C . PRO A 1 129 ? 11.012 5.914 69.250 1.00 13.40 ? 129 PRO A C 1 ATOM 2117 O O . PRO A 1 129 ? 10.122 5.209 69.742 1.00 23.29 ? 129 PRO A O 1 ATOM 2118 C CB . PRO A 1 129 ? 12.981 4.634 68.520 1.00 17.55 ? 129 PRO A CB 1 ATOM 2119 C CG . PRO A 1 129 ? 12.698 3.265 69.113 1.00 19.04 ? 129 PRO A CG 1 ATOM 2120 C CD . PRO A 1 129 ? 12.874 3.425 70.605 1.00 22.90 ? 129 PRO A CD 1 ATOM 2121 H HA . PRO A 1 129 ? 12.991 6.431 69.567 1.00 23.60 ? 129 PRO A HA 1 ATOM 2122 H HB2 . PRO A 1 129 ? 12.497 4.759 67.689 1.00 21.05 ? 129 PRO A HB2 1 ATOM 2123 H HB3 . PRO A 1 129 ? 13.934 4.766 68.392 1.00 21.05 ? 129 PRO A HB3 1 ATOM 2124 H HG2 . PRO A 1 129 ? 11.789 3.000 68.902 1.00 22.84 ? 129 PRO A HG2 1 ATOM 2125 H HG3 . PRO A 1 129 ? 13.332 2.621 68.761 1.00 22.84 ? 129 PRO A HG3 1 ATOM 2126 H HD2 . PRO A 1 129 ? 12.204 2.909 71.081 1.00 27.46 ? 129 PRO A HD2 1 ATOM 2127 H HD3 . PRO A 1 129 ? 13.772 3.172 70.869 1.00 27.46 ? 129 PRO A HD3 1 ATOM 2128 N N . LYS A 1 130 ? 10.801 6.960 68.477 1.00 17.64 ? 130 LYS A N 1 ATOM 2129 C CA . LYS A 1 130 ? 9.589 7.031 67.683 1.00 17.70 ? 130 LYS A CA 1 ATOM 2130 C C . LYS A 1 130 ? 10.031 6.636 66.284 1.00 15.86 ? 130 LYS A C 1 ATOM 2131 O O . LYS A 1 130 ? 10.962 7.234 65.752 1.00 16.37 ? 130 LYS A O 1 ATOM 2132 C CB . LYS A 1 130 ? 8.998 8.432 67.689 1.00 22.11 ? 130 LYS A CB 1 ATOM 2133 C CG . LYS A 1 130 ? 8.212 8.704 68.964 1.00 34.68 ? 130 LYS A CG 1 ATOM 2134 C CD . LYS A 1 130 ? 7.393 9.986 68.870 1.00 39.56 ? 130 LYS A CD 1 ATOM 2135 C CE . LYS A 1 130 ? 6.234 9.980 69.882 1.00 54.15 ? 130 LYS A CE 1 ATOM 2136 N NZ . LYS A 1 130 ? 6.696 9.720 71.269 1.00 54.94 ? 130 LYS A NZ 1 ATOM 2137 H H . LYS A 1 130 ? 11.332 7.631 68.392 1.00 21.16 ? 130 LYS A H 1 ATOM 2138 H HA . LYS A 1 130 ? 8.923 6.391 68.011 1.00 21.22 ? 130 LYS A HA 1 ATOM 2139 H HB2 . LYS A 1 130 ? 9.716 9.082 67.631 1.00 26.52 ? 130 LYS A HB2 1 ATOM 2140 H HB3 . LYS A 1 130 ? 8.396 8.528 66.935 1.00 26.52 ? 130 LYS A HB3 1 ATOM 2141 H HG2 . LYS A 1 130 ? 7.603 7.967 69.125 1.00 41.61 ? 130 LYS A HG2 1 ATOM 2142 H HG3 . LYS A 1 130 ? 8.831 8.794 69.706 1.00 41.61 ? 130 LYS A HG3 1 ATOM 2143 H HD2 . LYS A 1 130 ? 7.964 10.746 69.064 1.00 47.46 ? 130 LYS A HD2 1 ATOM 2144 H HD3 . LYS A 1 130 ? 7.020 10.064 67.979 1.00 47.46 ? 130 LYS A HD3 1 ATOM 2145 H HE2 . LYS A 1 130 ? 5.796 10.845 69.868 1.00 64.97 ? 130 LYS A HE2 1 ATOM 2146 H HE3 . LYS A 1 130 ? 5.604 9.284 69.639 1.00 64.97 ? 130 LYS A HE3 1 ATOM 2147 H HZ1 . LYS A 1 130 ? 5.947 9.725 71.870 1.00 65.92 ? 130 LYS A HZ1 1 ATOM 2148 H HZ2 . LYS A 1 130 ? 7.129 8.865 71.316 1.00 65.92 ? 130 LYS A HZ2 1 ATOM 2149 H HZ3 . LYS A 1 130 ? 7.317 10.400 71.541 1.00 65.92 ? 130 LYS A HZ3 1 ATOM 2150 N N . ILE A 1 131 ? 9.356 5.630 65.717 1.00 15.24 ? 131 ILE A N 1 ATOM 2151 C CA . ILE A 1 131 ? 9.710 5.067 64.414 1.00 10.90 ? 131 ILE A CA 1 ATOM 2152 C C . ILE A 1 131 ? 8.560 5.400 63.466 1.00 11.19 ? 131 ILE A C 1 ATOM 2153 O O . ILE A 1 131 ? 7.399 5.067 63.748 1.00 12.95 ? 131 ILE A O 1 ATOM 2154 C CB . ILE A 1 131 ? 9.942 3.585 64.506 1.00 11.17 ? 131 ILE A CB 1 ATOM 2155 C CG1 . ILE A 1 131 ? 11.068 3.261 65.502 1.00 13.85 ? 131 ILE A CG1 1 ATOM 2156 C CG2 . ILE A 1 131 ? 10.284 3.008 63.109 1.00 11.20 ? 131 ILE A CG2 1 ATOM 2157 C CD1 . ILE A 1 131 ? 11.410 1.849 65.624 1.00 13.93 ? 131 ILE A CD1 1 ATOM 2158 H H . ILE A 1 131 ? 8.675 5.250 66.078 1.00 18.28 ? 131 ILE A H 1 ATOM 2159 H HA . ILE A 1 131 ? 10.527 5.494 64.080 1.00 13.07 ? 131 ILE A HA 1 ATOM 2160 H HB . ILE A 1 131 ? 9.126 3.166 64.820 1.00 13.39 ? 131 ILE A HB 1 ATOM 2161 H HG12 . ILE A 1 131 ? 11.869 3.731 65.223 1.00 16.61 ? 131 ILE A HG12 1 ATOM 2162 H HG13 . ILE A 1 131 ? 10.799 3.572 66.380 1.00 16.61 ? 131 ILE A HG13 1 ATOM 2163 H HG21 . ILE A 1 131 ? 10.429 2.062 63.189 1.00 13.43 ? 131 ILE A HG21 1 ATOM 2164 H HG22 . ILE A 1 131 ? 9.551 3.178 62.513 1.00 13.43 ? 131 ILE A HG22 1 ATOM 2165 H HG23 . ILE A 1 131 ? 11.079 3.435 62.781 1.00 13.43 ? 131 ILE A HG23 1 ATOM 2166 H HD11 . ILE A 1 131 ? 12.118 1.754 66.266 1.00 16.70 ? 131 ILE A HD11 1 ATOM 2167 H HD12 . ILE A 1 131 ? 10.635 1.364 65.918 1.00 16.70 ? 131 ILE A HD12 1 ATOM 2168 H HD13 . ILE A 1 131 ? 11.697 1.522 64.769 1.00 16.70 ? 131 ILE A HD13 1 ATOM 2169 N N . VAL A 1 132 ? 8.866 6.087 62.374 1.00 12.17 ? 132 VAL A N 1 ATOM 2170 C CA . VAL A 1 132 ? 7.869 6.573 61.443 1.00 11.19 ? 132 VAL A CA 1 ATOM 2171 C C . VAL A 1 132 ? 8.142 6.145 59.995 1.00 12.31 ? 132 VAL A C 1 ATOM 2172 O O . VAL A 1 132 ? 9.292 6.232 59.516 1.00 12.85 ? 132 VAL A O 1 ATOM 2173 C CB . VAL A 1 132 ? 7.812 8.130 61.439 1.00 13.89 ? 132 VAL A CB 1 ATOM 2174 C CG1 . VAL A 1 132 ? 6.850 8.647 60.388 1.00 15.82 ? 132 VAL A CG1 1 ATOM 2175 C CG2 . VAL A 1 132 ? 7.420 8.652 62.837 1.00 15.94 ? 132 VAL A CG2 1 ATOM 2176 H H . VAL A 1 132 ? 9.671 6.289 62.148 1.00 14.59 ? 132 VAL A H 1 ATOM 2177 H HA . VAL A 1 132 ? 6.988 6.233 61.705 1.00 13.42 ? 132 VAL A HA 1 ATOM 2178 H HB . VAL A 1 132 ? 8.703 8.479 61.228 1.00 16.66 ? 132 VAL A HB 1 ATOM 2179 H HG11 . VAL A 1 132 ? 6.843 9.607 60.417 1.00 18.98 ? 132 VAL A HG11 1 ATOM 2180 H HG12 . VAL A 1 132 ? 7.142 8.347 59.524 1.00 18.98 ? 132 VAL A HG12 1 ATOM 2181 H HG13 . VAL A 1 132 ? 5.972 8.307 60.574 1.00 18.98 ? 132 VAL A HG13 1 ATOM 2182 H HG21 . VAL A 1 132 ? 7.390 9.611 62.815 1.00 19.11 ? 132 VAL A HG21 1 ATOM 2183 H HG22 . VAL A 1 132 ? 6.558 8.302 63.071 1.00 19.11 ? 132 VAL A HG22 1 ATOM 2184 H HG23 . VAL A 1 132 ? 8.076 8.359 63.474 1.00 19.11 ? 132 VAL A HG23 1 ATOM 2185 N N . LEU A 1 133 ? 7.099 5.644 59.330 1.00 10.71 ? 133 LEU A N 1 ATOM 2186 C CA A LEU A 1 133 ? 7.083 5.451 57.882 0.90 10.65 ? 133 LEU A CA 1 ATOM 2187 C CA B LEU A 1 133 ? 7.104 5.461 57.876 0.10 11.14 ? 133 LEU A CA 1 ATOM 2188 C C . LEU A 1 133 ? 6.225 6.515 57.229 1.00 11.64 ? 133 LEU A C 1 ATOM 2189 O O . LEU A 1 133 ? 5.204 6.912 57.786 1.00 13.20 ? 133 LEU A O 1 ATOM 2190 C CB A LEU A 1 133 ? 6.457 4.098 57.539 0.90 12.13 ? 133 LEU A CB 1 ATOM 2191 C CB B LEU A 1 133 ? 6.550 4.092 57.484 0.10 11.59 ? 133 LEU A CB 1 ATOM 2192 C CG A LEU A 1 133 ? 7.099 2.844 58.100 0.90 10.67 ? 133 LEU A CG 1 ATOM 2193 C CG B LEU A 1 133 ? 7.342 2.883 57.951 0.10 11.58 ? 133 LEU A CG 1 ATOM 2194 C CD1 A LEU A 1 133 ? 6.343 1.641 57.549 0.90 11.64 ? 133 LEU A CD1 1 ATOM 2195 C CD1 B LEU A 1 133 ? 7.449 2.930 59.449 0.10 8.60 ? 133 LEU A CD1 1 ATOM 2196 C CD2 A LEU A 1 133 ? 8.581 2.730 57.676 0.90 12.52 ? 133 LEU A CD2 1 ATOM 2197 C CD2 B LEU A 1 133 ? 6.691 1.587 57.476 0.10 10.72 ? 133 LEU A CD2 1 ATOM 2198 H H A LEU A 1 133 ? 6.367 5.402 59.711 0.90 12.84 ? 133 LEU A H 1 ATOM 2199 H H B LEU A 1 133 ? 6.364 5.399 59.705 0.10 12.84 ? 133 LEU A H 1 ATOM 2200 H HA A LEU A 1 133 ? 7.992 5.494 57.519 0.90 12.77 ? 133 LEU A HA 1 ATOM 2201 H HA B LEU A 1 133 ? 8.016 5.549 57.530 0.10 13.36 ? 133 LEU A HA 1 ATOM 2202 H HB2 A LEU A 1 133 ? 5.539 4.107 57.852 0.90 14.54 ? 133 LEU A HB2 1 ATOM 2203 H HB2 B LEU A 1 133 ? 5.657 4.010 57.852 0.10 13.90 ? 133 LEU A HB2 1 ATOM 2204 H HB3 A LEU A 1 133 ? 6.460 4.006 56.573 0.90 14.54 ? 133 LEU A HB3 1 ATOM 2205 H HB3 B LEU A 1 133 ? 6.504 4.049 56.516 0.10 13.90 ? 133 LEU A HB3 1 ATOM 2206 H HG A LEU A 1 133 ? 7.041 2.842 59.068 0.90 12.79 ? 133 LEU A HG 1 ATOM 2207 H HG B LEU A 1 133 ? 8.238 2.926 57.582 0.10 13.88 ? 133 LEU A HG 1 ATOM 2208 H HD11 A LEU A 1 133 ? 6.740 0.838 57.897 0.90 13.96 ? 133 LEU A HD11 1 ATOM 2209 H HD11 B LEU A 1 133 ? 7.949 2.168 59.751 0.10 10.30 ? 133 LEU A HD11 1 ATOM 2210 H HD12 A LEU A 1 133 ? 5.425 1.698 57.822 0.90 13.96 ? 133 LEU A HD12 1 ATOM 2211 H HD12 B LEU A 1 133 ? 7.899 3.739 59.704 0.10 10.30 ? 133 LEU A HD12 1 ATOM 2212 H HD13 A LEU A 1 133 ? 6.402 1.647 56.591 0.90 13.96 ? 133 LEU A HD13 1 ATOM 2213 H HD13 B LEU A 1 133 ? 6.566 2.913 59.826 0.10 10.30 ? 133 LEU A HD13 1 ATOM 2214 H HD21 A LEU A 1 133 ? 8.951 1.927 58.049 0.90 15.02 ? 133 LEU A HD21 1 ATOM 2215 H HD21 B LEU A 1 133 ? 7.214 0.843 57.787 0.10 12.85 ? 133 LEU A HD21 1 ATOM 2216 H HD22 A LEU A 1 133 ? 8.630 2.700 56.718 0.90 15.02 ? 133 LEU A HD22 1 ATOM 2217 H HD22 B LEU A 1 133 ? 5.802 1.534 57.834 0.10 12.85 ? 133 LEU A HD22 1 ATOM 2218 H HD23 A LEU A 1 133 ? 9.059 3.495 58.005 0.90 15.02 ? 133 LEU A HD23 1 ATOM 2219 H HD23 B LEU A 1 133 ? 6.659 1.587 56.517 0.10 12.85 ? 133 LEU A HD23 1 ATOM 2220 N N . GLY A 1 134 ? 6.611 6.996 56.038 1.00 12.08 ? 134 GLY A N 1 ATOM 2221 C CA . GLY A 1 134 ? 5.761 7.914 55.296 1.00 11.44 ? 134 GLY A CA 1 ATOM 2222 C C . GLY A 1 134 ? 6.285 9.331 55.324 1.00 13.36 ? 134 GLY A C 1 ATOM 2223 O O . GLY A 1 134 ? 5.975 10.095 54.413 1.00 14.87 ? 134 GLY A O 1 ATOM 2224 H H . GLY A 1 134 ? 7.353 6.804 55.649 1.00 14.49 ? 134 GLY A H 1 ATOM 2225 H HA2 . GLY A 1 134 ? 5.702 7.625 54.372 1.00 13.72 ? 134 GLY A HA2 1 ATOM 2226 H HA3 . GLY A 1 134 ? 4.869 7.908 55.677 1.00 13.72 ? 134 GLY A HA3 1 ATOM 2227 N N . GLN A 1 135 ? 6.972 9.683 56.405 1.00 13.96 ? 135 GLN A N 1 ATOM 2228 C CA . GLN A 1 135 ? 7.477 11.027 56.588 1.00 12.83 ? 135 GLN A CA 1 ATOM 2229 C C . GLN A 1 135 ? 8.830 10.947 57.237 1.00 14.25 ? 135 GLN A C 1 ATOM 2230 O O . GLN A 1 135 ? 9.179 9.972 57.929 1.00 16.45 ? 135 GLN A O 1 ATOM 2231 C CB . GLN A 1 135 ? 6.524 11.847 57.485 1.00 14.33 ? 135 GLN A CB 1 ATOM 2232 C CG . GLN A 1 135 ? 5.109 11.965 56.977 1.00 15.08 ? 135 GLN A CG 1 ATOM 2233 C CD . GLN A 1 135 ? 4.963 12.881 55.770 1.00 14.37 ? 135 GLN A CD 1 ATOM 2234 O OE1 . GLN A 1 135 ? 5.822 13.740 55.489 1.00 17.07 ? 135 GLN A OE1 1 ATOM 2235 N NE2 . GLN A 1 135 ? 3.866 12.711 55.052 1.00 13.58 ? 135 GLN A NE2 1 ATOM 2236 H H . GLN A 1 135 ? 7.159 9.150 57.053 1.00 16.74 ? 135 GLN A H 1 ATOM 2237 H HA . GLN A 1 135 ? 7.565 11.475 55.720 1.00 15.39 ? 135 GLN A HA 1 ATOM 2238 H HB2 . GLN A 1 135 ? 6.487 11.427 58.359 1.00 17.18 ? 135 GLN A HB2 1 ATOM 2239 H HB3 . GLN A 1 135 ? 6.879 12.745 57.572 1.00 17.18 ? 135 GLN A HB3 1 ATOM 2240 H HG2 . GLN A 1 135 ? 4.794 11.084 56.720 1.00 18.08 ? 135 GLN A HG2 1 ATOM 2241 H HG3 . GLN A 1 135 ? 4.551 12.319 57.687 1.00 18.08 ? 135 GLN A HG3 1 ATOM 2242 H HE21 . GLN A 1 135 ? 3.727 13.199 54.358 1.00 16.29 ? 135 GLN A HE21 1 ATOM 2243 H HE22 . GLN A 1 135 ? 3.292 12.113 55.279 1.00 16.29 ? 135 GLN A HE22 1 ATOM 2244 N N . GLU A 1 136 ? 9.589 12.013 57.049 1.00 16.07 ? 136 GLU A N 1 ATOM 2245 C CA . GLU A 1 136 ? 10.847 12.202 57.706 1.00 12.69 ? 136 GLU A CA 1 ATOM 2246 C C . GLU A 1 136 ? 10.652 13.100 58.942 1.00 15.93 ? 136 GLU A C 1 ATOM 2247 O O . GLU A 1 136 ? 10.114 14.192 58.825 1.00 16.35 ? 136 GLU A O 1 ATOM 2248 C CB . GLU A 1 136 ? 11.809 12.847 56.700 1.00 16.61 ? 136 GLU A CB 1 ATOM 2249 C CG . GLU A 1 136 ? 13.228 12.522 56.945 1.00 15.44 ? 136 GLU A CG 1 ATOM 2250 C CD . GLU A 1 136 ? 13.814 13.354 58.043 1.00 18.49 ? 136 GLU A CD 1 ATOM 2251 O OE1 . GLU A 1 136 ? 13.570 14.592 58.031 1.00 19.40 ? 136 GLU A OE1 1 ATOM 2252 O OE2 . GLU A 1 136 ? 14.527 12.797 58.899 1.00 17.76 ? 136 GLU A OE2 1 ATOM 2253 H H . GLU A 1 136 ? 9.380 12.660 56.522 1.00 19.27 ? 136 GLU A H 1 ATOM 2254 H HA . GLU A 1 136 ? 11.211 11.338 57.991 1.00 15.22 ? 136 GLU A HA 1 ATOM 2255 H HB2 . GLU A 1 136 ? 11.584 12.538 55.809 1.00 19.92 ? 136 GLU A HB2 1 ATOM 2256 H HB3 . GLU A 1 136 ? 11.713 13.811 56.749 1.00 19.92 ? 136 GLU A HB3 1 ATOM 2257 H HG2 . GLU A 1 136 ? 13.302 11.589 57.200 1.00 18.51 ? 136 GLU A HG2 1 ATOM 2258 H HG3 . GLU A 1 136 ? 13.737 12.688 56.136 1.00 18.51 ? 136 GLU A HG3 1 ATOM 2259 N N . GLN A 1 137 ? 11.049 12.620 60.110 1.00 16.41 ? 137 GLN A N 1 ATOM 2260 C CA . GLN A 1 137 ? 10.870 13.389 61.331 1.00 17.08 ? 137 GLN A CA 1 ATOM 2261 C C . GLN A 1 137 ? 11.963 14.407 61.448 1.00 16.91 ? 137 GLN A C 1 ATOM 2262 O O . GLN A 1 137 ? 13.116 14.101 61.193 1.00 18.44 ? 137 GLN A O 1 ATOM 2263 C CB . GLN A 1 137 ? 10.933 12.497 62.555 1.00 18.73 ? 137 GLN A CB 1 ATOM 2264 C CG . GLN A 1 137 ? 9.836 11.455 62.665 1.00 20.31 ? 137 GLN A CG 1 ATOM 2265 C CD . GLN A 1 137 ? 10.108 10.515 63.806 1.00 23.89 ? 137 GLN A CD 1 ATOM 2266 O OE1 . GLN A 1 137 ? 9.791 10.811 64.960 1.00 21.12 ? 137 GLN A OE1 1 ATOM 2267 N NE2 . GLN A 1 137 ? 10.761 9.393 63.507 1.00 17.03 ? 137 GLN A NE2 1 ATOM 2268 H H . GLN A 1 137 ? 11.423 11.855 60.224 1.00 19.68 ? 137 GLN A H 1 ATOM 2269 H HA . GLN A 1 137 ? 10.005 13.850 61.314 1.00 20.48 ? 137 GLN A HA 1 ATOM 2270 H HB2 . GLN A 1 137 ? 11.781 12.026 62.548 1.00 22.46 ? 137 GLN A HB2 1 ATOM 2271 H HB3 . GLN A 1 137 ? 10.881 13.057 63.346 1.00 22.46 ? 137 GLN A HB3 1 ATOM 2272 H HG2 . GLN A 1 137 ? 8.987 11.896 62.826 1.00 24.36 ? 137 GLN A HG2 1 ATOM 2273 H HG3 . GLN A 1 137 ? 9.799 10.938 61.845 1.00 24.36 ? 137 GLN A HG3 1 ATOM 2274 H HE21 . GLN A 1 137 ? 10.940 8.822 64.125 1.00 20.43 ? 137 GLN A HE21 1 ATOM 2275 H HE22 . GLN A 1 137 ? 11.003 9.239 62.696 1.00 20.43 ? 137 GLN A HE22 1 ATOM 2276 N N . ASP A 1 138 ? 11.617 15.605 61.881 1.00 19.74 ? 138 ASP A N 1 ATOM 2277 C CA . ASP A 1 138 ? 12.645 16.549 62.325 1.00 23.54 ? 138 ASP A CA 1 ATOM 2278 C C . ASP A 1 138 ? 12.498 16.799 63.830 1.00 27.63 ? 138 ASP A C 1 ATOM 2279 O O . ASP A 1 138 ? 13.348 17.462 64.435 1.00 27.43 ? 138 ASP A O 1 ATOM 2280 C CB . ASP A 1 138 ? 12.584 17.851 61.520 1.00 22.97 ? 138 ASP A CB 1 ATOM 2281 C CG . ASP A 1 138 ? 13.245 17.727 60.159 1.00 25.01 ? 138 ASP A CG 1 ATOM 2282 O OD1 . ASP A 1 138 ? 14.004 16.744 59.965 1.00 20.74 ? 138 ASP A OD1 1 ATOM 2283 O OD2 . ASP A 1 138 ? 13.038 18.598 59.272 1.00 24.92 ? 138 ASP A OD2 1 ATOM 2284 H H . ASP A 1 138 ? 10.810 15.900 61.931 1.00 23.68 ? 138 ASP A H 1 ATOM 2285 H HA . ASP A 1 138 ? 13.526 16.147 62.175 1.00 28.24 ? 138 ASP A HA 1 ATOM 2286 H HB2 . ASP A 1 138 ? 11.655 18.095 61.381 1.00 27.55 ? 138 ASP A HB2 1 ATOM 2287 H HB3 . ASP A 1 138 ? 13.041 18.550 62.013 1.00 27.55 ? 138 ASP A HB3 1 ATOM 2288 N N . SER A 1 139 ? 11.454 16.225 64.437 1.00 25.01 ? 139 SER A N 1 ATOM 2289 C CA . SER A 1 139 ? 11.283 16.269 65.895 1.00 27.16 ? 139 SER A CA 1 ATOM 2290 C C . SER A 1 139 ? 11.026 14.865 66.450 1.00 34.10 ? 139 SER A C 1 ATOM 2291 O O . SER A 1 139 ? 11.059 13.889 65.700 1.00 28.15 ? 139 SER A O 1 ATOM 2292 C CB . SER A 1 139 ? 10.106 17.169 66.254 1.00 27.25 ? 139 SER A CB 1 ATOM 2293 O OG . SER A 1 139 ? 8.893 16.512 65.941 1.00 27.80 ? 139 SER A OG 1 ATOM 2294 H H . SER A 1 139 ? 10.829 15.801 64.026 1.00 30.00 ? 139 SER A H 1 ATOM 2295 H HA . SER A 1 139 ? 12.093 16.629 66.312 1.00 32.58 ? 139 SER A HA 1 ATOM 2296 H HB2 . SER A 1 139 ? 10.129 17.361 67.205 1.00 32.69 ? 139 SER A HB2 1 ATOM 2297 H HB3 . SER A 1 139 ? 10.165 17.991 65.744 1.00 32.69 ? 139 SER A HB3 1 ATOM 2298 H HG . SER A 1 139 ? 8.256 16.992 66.132 1.00 33.35 ? 139 SER A HG 1 ATOM 2299 N N . TYR A 1 140 ? 10.750 14.756 67.753 1.00 24.55 ? 140 TYR A N 1 ATOM 2300 C CA . TYR A 1 140 ? 10.424 13.454 68.351 1.00 22.81 ? 140 TYR A CA 1 ATOM 2301 C C . TYR A 1 140 ? 8.974 13.104 68.021 1.00 33.08 ? 140 TYR A C 1 ATOM 2302 O O . TYR A 1 140 ? 8.070 13.280 68.840 1.00 31.77 ? 140 TYR A O 1 ATOM 2303 C CB . TYR A 1 140 ? 10.693 13.453 69.875 1.00 23.75 ? 140 TYR A CB 1 ATOM 2304 C CG . TYR A 1 140 ? 10.587 12.108 70.564 1.00 26.22 ? 140 TYR A CG 1 ATOM 2305 C CD1 . TYR A 1 140 ? 11.307 10.989 70.110 1.00 23.18 ? 140 TYR A CD1 1 ATOM 2306 C CD2 . TYR A 1 140 ? 9.783 11.952 71.695 1.00 23.10 ? 140 TYR A CD2 1 ATOM 2307 C CE1 . TYR A 1 140 ? 11.218 9.782 70.752 1.00 22.53 ? 140 TYR A CE1 1 ATOM 2308 C CE2 . TYR A 1 140 ? 9.676 10.748 72.334 1.00 32.84 ? 140 TYR A CE2 1 ATOM 2309 C CZ . TYR A 1 140 ? 10.388 9.662 71.880 1.00 29.73 ? 140 TYR A CZ 1 ATOM 2310 O OH . TYR A 1 140 ? 10.250 8.464 72.550 1.00 30.91 ? 140 TYR A OH 1 ATOM 2311 H H . TYR A 1 140 ? 10.745 15.413 68.308 1.00 29.45 ? 140 TYR A H 1 ATOM 2312 H HA . TYR A 1 140 ? 10.996 12.768 67.947 1.00 27.36 ? 140 TYR A HA 1 ATOM 2313 H HB2 . TYR A 1 140 ? 11.591 13.786 70.027 1.00 28.48 ? 140 TYR A HB2 1 ATOM 2314 H HB3 . TYR A 1 140 ? 10.053 14.046 70.298 1.00 28.48 ? 140 TYR A HB3 1 ATOM 2315 H HD1 . TYR A 1 140 ? 11.857 11.071 69.366 1.00 27.80 ? 140 TYR A HD1 1 ATOM 2316 H HD2 . TYR A 1 140 ? 9.297 12.679 72.011 1.00 27.70 ? 140 TYR A HD2 1 ATOM 2317 H HE1 . TYR A 1 140 ? 11.692 9.046 70.438 1.00 27.02 ? 140 TYR A HE1 1 ATOM 2318 H HE2 . TYR A 1 140 ? 9.129 10.665 73.082 1.00 39.39 ? 140 TYR A HE2 1 ATOM 2319 H HH . TYR A 1 140 ? 10.978 8.216 72.834 1.00 37.08 ? 140 TYR A HH 1 ATOM 2320 N N . GLY A 1 141 ? 8.761 12.644 66.787 1.00 26.08 ? 141 GLY A N 1 ATOM 2321 C CA . GLY A 1 141 ? 7.466 12.163 66.341 1.00 26.63 ? 141 GLY A CA 1 ATOM 2322 C C . GLY A 1 141 ? 6.794 13.042 65.304 1.00 28.00 ? 141 GLY A C 1 ATOM 2323 O O . GLY A 1 141 ? 5.690 12.712 64.856 1.00 34.82 ? 141 GLY A O 1 ATOM 2324 H H . GLY A 1 141 ? 9.370 12.602 66.181 1.00 31.28 ? 141 GLY A H 1 ATOM 2325 H HA2 . GLY A 1 141 ? 7.572 11.277 65.960 1.00 31.95 ? 141 GLY A HA2 1 ATOM 2326 H HA3 . GLY A 1 141 ? 6.873 12.093 67.105 1.00 31.95 ? 141 GLY A HA3 1 ATOM 2327 N N . GLY A 1 142 ? 7.432 14.148 64.908 1.00 26.20 ? 142 GLY A N 1 ATOM 2328 C CA . GLY A 1 142 ? 6.791 15.110 64.026 1.00 25.07 ? 142 GLY A CA 1 ATOM 2329 C C . GLY A 1 142 ? 7.730 15.993 63.234 1.00 27.50 ? 142 GLY A C 1 ATOM 2330 O O . GLY A 1 142 ? 8.822 15.567 62.849 1.00 23.66 ? 142 GLY A O 1 ATOM 2331 H H . GLY A 1 142 ? 8.234 14.358 65.137 1.00 31.43 ? 142 GLY A H 1 ATOM 2332 H HA2 . GLY A 1 142 ? 6.231 14.631 63.394 1.00 30.07 ? 142 GLY A HA2 1 ATOM 2333 H HA3 . GLY A 1 142 ? 6.217 15.685 64.555 1.00 30.07 ? 142 GLY A HA3 1 ATOM 2334 N N . LYS A 1 143 ? 7.291 17.219 62.961 1.00 26.93 ? 143 LYS A N 1 ATOM 2335 C CA . LYS A 1 143 ? 8.041 18.159 62.131 1.00 26.68 ? 143 LYS A CA 1 ATOM 2336 C C . LYS A 1 143 ? 8.362 17.555 60.769 1.00 27.04 ? 143 LYS A C 1 ATOM 2337 O O . LYS A 1 143 ? 9.524 17.511 60.350 1.00 24.23 ? 143 LYS A O 1 ATOM 2338 C CB . LYS A 1 143 ? 9.347 18.589 62.813 1.00 32.87 ? 143 LYS A CB 1 ATOM 2339 C CG . LYS A 1 143 ? 9.187 19.637 63.907 1.00 45.86 ? 143 LYS A CG 1 ATOM 2340 C CD . LYS A 1 143 ? 9.432 21.038 63.369 1.00 53.21 ? 143 LYS A CD 1 ATOM 2341 C CE . LYS A 1 143 ? 9.599 22.052 64.502 1.00 61.72 ? 143 LYS A CE 1 ATOM 2342 N NZ . LYS A 1 143 ? 10.868 21.845 65.257 1.00 63.47 ? 143 LYS A NZ 1 ATOM 2343 H H . LYS A 1 143 ? 6.546 17.537 63.251 1.00 32.30 ? 143 LYS A H 1 ATOM 2344 H HA . LYS A 1 143 ? 7.496 18.961 61.985 1.00 32.01 ? 143 LYS A HA 1 ATOM 2345 H HB2 . LYS A 1 143 ? 9.757 17.807 63.215 1.00 39.43 ? 143 LYS A HB2 1 ATOM 2346 H HB3 . LYS A 1 143 ? 9.941 18.957 62.140 1.00 39.43 ? 143 LYS A HB3 1 ATOM 2347 H HG2 . LYS A 1 143 ? 8.284 19.599 64.258 1.00 55.02 ? 143 LYS A HG2 1 ATOM 2348 H HG3 . LYS A 1 143 ? 9.830 19.465 64.613 1.00 55.02 ? 143 LYS A HG3 1 ATOM 2349 H HD2 . LYS A 1 143 ? 10.244 21.039 62.838 1.00 63.84 ? 143 LYS A HD2 1 ATOM 2350 H HD3 . LYS A 1 143 ? 8.676 21.309 62.826 1.00 63.84 ? 143 LYS A HD3 1 ATOM 2351 H HE2 . LYS A 1 143 ? 9.612 22.947 64.129 1.00 74.05 ? 143 LYS A HE2 1 ATOM 2352 H HE3 . LYS A 1 143 ? 8.859 21.959 65.123 1.00 74.05 ? 143 LYS A HE3 1 ATOM 2353 H HZ1 . LYS A 1 143 ? 10.880 20.966 65.643 1.00 76.15 ? 143 LYS A HZ1 1 ATOM 2354 H HZ2 . LYS A 1 143 ? 11.619 21.937 64.667 1.00 76.15 ? 143 LYS A HZ2 1 ATOM 2355 H HZ3 . LYS A 1 143 ? 10.941 22.496 65.959 1.00 76.15 ? 143 LYS A HZ3 1 ATOM 2356 N N . PHE A 1 144 ? 7.319 17.089 60.093 1.00 22.17 ? 144 PHE A N 1 ATOM 2357 C CA . PHE A 1 144 ? 7.449 16.524 58.761 1.00 19.89 ? 144 PHE A CA 1 ATOM 2358 C C . PHE A 1 144 ? 7.678 17.571 57.668 1.00 22.41 ? 144 PHE A C 1 ATOM 2359 O O . PHE A 1 144 ? 7.508 18.763 57.873 1.00 24.25 ? 144 PHE A O 1 ATOM 2360 C CB . PHE A 1 144 ? 6.206 15.680 58.458 1.00 15.78 ? 144 PHE A CB 1 ATOM 2361 C CG . PHE A 1 144 ? 5.884 14.660 59.540 1.00 17.76 ? 144 PHE A CG 1 ATOM 2362 C CD1 . PHE A 1 144 ? 6.886 13.956 60.189 1.00 18.28 ? 144 PHE A CD1 1 ATOM 2363 C CD2 . PHE A 1 144 ? 4.569 14.393 59.878 1.00 18.72 ? 144 PHE A CD2 1 ATOM 2364 C CE1 . PHE A 1 144 ? 6.586 13.005 61.164 1.00 17.48 ? 144 PHE A CE1 1 ATOM 2365 C CE2 . PHE A 1 144 ? 4.249 13.451 60.852 1.00 21.10 ? 144 PHE A CE2 1 ATOM 2366 C CZ . PHE A 1 144 ? 5.260 12.751 61.502 1.00 19.62 ? 144 PHE A CZ 1 ATOM 2367 H H . PHE A 1 144 ? 6.512 17.091 60.391 1.00 26.59 ? 144 PHE A H 1 ATOM 2368 H HA . PHE A 1 144 ? 8.222 15.921 58.755 1.00 23.86 ? 144 PHE A HA 1 ATOM 2369 H HB2 . PHE A 1 144 ? 5.442 16.269 58.369 1.00 18.92 ? 144 PHE A HB2 1 ATOM 2370 H HB3 . PHE A 1 144 ? 6.350 15.197 57.629 1.00 18.92 ? 144 PHE A HB3 1 ATOM 2371 H HD1 . PHE A 1 144 ? 7.775 14.117 59.967 1.00 21.93 ? 144 PHE A HD1 1 ATOM 2372 H HD2 . PHE A 1 144 ? 3.885 14.854 59.447 1.00 22.45 ? 144 PHE A HD2 1 ATOM 2373 H HE1 . PHE A 1 144 ? 7.272 12.548 61.594 1.00 20.96 ? 144 PHE A HE1 1 ATOM 2374 H HE2 . PHE A 1 144 ? 3.360 13.290 61.069 1.00 25.31 ? 144 PHE A HE2 1 ATOM 2375 H HZ . PHE A 1 144 ? 5.053 12.124 62.156 1.00 23.54 ? 144 PHE A HZ 1 ATOM 2376 N N . ASP A 1 145 ? 8.078 17.101 56.497 1.00 17.67 ? 145 ASP A N 1 ATOM 2377 C CA . ASP A 1 145 ? 8.403 17.944 55.355 1.00 18.92 ? 145 ASP A CA 1 ATOM 2378 C C . ASP A 1 145 ? 7.863 17.250 54.118 1.00 20.58 ? 145 ASP A C 1 ATOM 2379 O O . ASP A 1 145 ? 8.300 16.148 53.784 1.00 17.83 ? 145 ASP A O 1 ATOM 2380 C CB . ASP A 1 145 ? 9.919 18.096 55.268 1.00 19.94 ? 145 ASP A CB 1 ATOM 2381 C CG . ASP A 1 145 ? 10.390 18.873 54.038 1.00 22.23 ? 145 ASP A CG 1 ATOM 2382 O OD1 . ASP A 1 145 ? 9.600 19.092 53.096 1.00 21.64 ? 145 ASP A OD1 1 ATOM 2383 O OD2 . ASP A 1 145 ? 11.592 19.255 54.021 1.00 25.31 ? 145 ASP A OD2 1 ATOM 2384 H H . ASP A 1 145 ? 8.173 16.262 56.333 1.00 21.19 ? 145 ASP A H 1 ATOM 2385 H HA . ASP A 1 145 ? 7.987 18.827 55.447 1.00 22.69 ? 145 ASP A HA 1 ATOM 2386 H HB2 . ASP A 1 145 ? 10.232 18.569 56.055 1.00 23.91 ? 145 ASP A HB2 1 ATOM 2387 H HB3 . ASP A 1 145 ? 10.321 17.214 55.233 1.00 23.91 ? 145 ASP A HB3 1 ATOM 2388 N N . ARG A 1 146 ? 6.898 17.860 53.448 1.00 18.39 ? 146 ARG A N 1 ATOM 2389 C CA . ARG A 1 146 ? 6.231 17.230 52.319 1.00 18.88 ? 146 ARG A CA 1 ATOM 2390 C C . ARG A 1 146 ? 7.243 16.794 51.265 1.00 20.12 ? 146 ARG A C 1 ATOM 2391 O O . ARG A 1 146 ? 7.028 15.812 50.563 1.00 17.15 ? 146 ARG A O 1 ATOM 2392 C CB . ARG A 1 146 ? 5.200 18.200 51.713 1.00 25.28 ? 146 ARG A CB 1 ATOM 2393 C CG . ARG A 1 146 ? 4.975 18.023 50.245 1.00 34.34 ? 146 ARG A CG 1 ATOM 2394 C CD . ARG A 1 146 ? 4.122 19.150 49.694 1.00 39.61 ? 146 ARG A CD 1 ATOM 2395 N NE . ARG A 1 146 ? 2.814 19.121 50.302 1.00 40.61 ? 146 ARG A NE 1 ATOM 2396 C CZ . ARG A 1 146 ? 1.715 18.681 49.702 1.00 46.13 ? 146 ARG A CZ 1 ATOM 2397 N NH1 . ARG A 1 146 ? 1.750 18.248 48.441 1.00 37.91 ? 146 ARG A NH1 1 ATOM 2398 N NH2 . ARG A 1 146 ? 0.573 18.695 50.367 1.00 42.29 ? 146 ARG A NH2 1 ATOM 2399 H H . ARG A 1 146 ? 6.607 18.649 53.629 1.00 22.06 ? 146 ARG A H 1 ATOM 2400 H HA . ARG A 1 146 ? 5.754 16.433 52.631 1.00 22.64 ? 146 ARG A HA 1 ATOM 2401 H HB2 . ARG A 1 146 ? 4.349 18.067 52.160 1.00 30.32 ? 146 ARG A HB2 1 ATOM 2402 H HB3 . ARG A 1 146 ? 5.506 19.109 51.857 1.00 30.32 ? 146 ARG A HB3 1 ATOM 2403 H HG2 . ARG A 1 146 ? 5.828 18.031 49.785 1.00 41.20 ? 146 ARG A HG2 1 ATOM 2404 H HG3 . ARG A 1 146 ? 4.513 17.185 50.088 1.00 41.20 ? 146 ARG A HG3 1 ATOM 2405 H HD2 . ARG A 1 146 ? 4.538 20.002 49.896 1.00 47.52 ? 146 ARG A HD2 1 ATOM 2406 H HD3 . ARG A 1 146 ? 4.019 19.040 48.735 1.00 47.52 ? 146 ARG A HD3 1 ATOM 2407 H HE . ARG A 1 146 ? 2.732 19.446 51.213 1.00 48.72 ? 146 ARG A HE 1 ATOM 2408 H HH11 . ARG A 1 146 ? 2.494 18.239 48.011 1.00 45.48 ? 146 ARG A HH11 1 ATOM 2409 H HH12 . ARG A 1 146 ? 1.030 17.970 48.062 1.00 45.48 ? 146 ARG A HH12 1 ATOM 2410 H HH21 . ARG A 1 146 ? 0.551 18.980 51.178 1.00 50.74 ? 146 ARG A HH21 1 ATOM 2411 H HH22 . ARG A 1 146 ? -0.149 18.421 49.988 1.00 50.74 ? 146 ARG A HH22 1 ATOM 2412 N N . SER A 1 147 ? 8.327 17.556 51.121 1.00 16.92 ? 147 SER A N 1 ATOM 2413 C CA . SER A 1 147 ? 9.270 17.269 50.058 1.00 20.03 ? 147 SER A CA 1 ATOM 2414 C C . SER A 1 147 ? 10.164 16.065 50.351 1.00 15.52 ? 147 SER A C 1 ATOM 2415 O O . SER A 1 147 ? 10.935 15.674 49.485 1.00 17.19 ? 147 SER A O 1 ATOM 2416 C CB . SER A 1 147 ? 10.141 18.493 49.773 1.00 21.03 ? 147 SER A CB 1 ATOM 2417 O OG . SER A 1 147 ? 11.090 18.685 50.801 1.00 23.02 ? 147 SER A OG 1 ATOM 2418 H H . SER A 1 147 ? 8.530 18.229 51.616 1.00 20.30 ? 147 SER A H 1 ATOM 2419 H HA . SER A 1 147 ? 8.766 17.069 49.242 1.00 24.02 ? 147 SER A HA 1 ATOM 2420 H HB2 . SER A 1 147 ? 10.608 18.360 48.934 1.00 25.22 ? 147 SER A HB2 1 ATOM 2421 H HB3 . SER A 1 147 ? 9.573 19.278 49.717 1.00 25.22 ? 147 SER A HB3 1 ATOM 2422 H HG . SER A 1 147 ? 11.006 18.104 51.373 1.00 27.61 ? 147 SER A HG 1 ATOM 2423 N N . GLN A 1 148 ? 10.039 15.492 51.548 1.00 14.87 ? 148 GLN A N 1 ATOM 2424 C CA . GLN A 1 148 ? 10.745 14.236 51.914 1.00 11.98 ? 148 GLN A CA 1 ATOM 2425 C C . GLN A 1 148 ? 9.772 13.092 52.164 1.00 14.31 ? 148 GLN A C 1 ATOM 2426 O O . GLN A 1 148 ? 10.183 11.993 52.559 1.00 12.75 ? 148 GLN A O 1 ATOM 2427 C CB . GLN A 1 148 ? 11.571 14.418 53.167 1.00 14.86 ? 148 GLN A CB 1 ATOM 2428 C CG . GLN A 1 148 ? 12.511 15.585 53.058 1.00 19.66 ? 148 GLN A CG 1 ATOM 2429 C CD . GLN A 1 148 ? 13.285 15.756 54.299 1.00 18.23 ? 148 GLN A CD 1 ATOM 2430 O OE1 . GLN A 1 148 ? 12.711 16.009 55.362 1.00 19.75 ? 148 GLN A OE1 1 ATOM 2431 N NE2 . GLN A 1 148 ? 14.607 15.590 54.212 1.00 21.93 ? 148 GLN A NE2 1 ATOM 2432 H H . GLN A 1 148 ? 9.549 15.807 52.180 1.00 17.83 ? 148 GLN A H 1 ATOM 2433 H HA . GLN A 1 148 ? 11.345 13.977 51.184 1.00 14.36 ? 148 GLN A HA 1 ATOM 2434 H HB2 . GLN A 1 148 ? 10.978 14.576 53.919 1.00 17.82 ? 148 GLN A HB2 1 ATOM 2435 H HB3 . GLN A 1 148 ? 12.098 13.618 53.320 1.00 17.82 ? 148 GLN A HB3 1 ATOM 2436 H HG2 . GLN A 1 148 ? 13.132 15.431 52.329 1.00 23.58 ? 148 GLN A HG2 1 ATOM 2437 H HG3 . GLN A 1 148 ? 12.001 16.395 52.902 1.00 23.58 ? 148 GLN A HG3 1 ATOM 2438 H HE21 . GLN A 1 148 ? 15.099 15.680 54.911 1.00 26.31 ? 148 GLN A HE21 1 ATOM 2439 H HE22 . GLN A 1 148 ? 14.966 15.393 53.456 1.00 26.31 ? 148 GLN A HE22 1 ATOM 2440 N N . SER A 1 149 ? 8.491 13.314 51.932 1.00 12.15 ? 149 SER A N 1 ATOM 2441 C CA . SER A 1 149 ? 7.488 12.307 52.214 1.00 11.90 ? 149 SER A CA 1 ATOM 2442 C C . SER A 1 149 ? 7.626 11.137 51.249 1.00 12.85 ? 149 SER A C 1 ATOM 2443 O O . SER A 1 149 ? 8.013 11.280 50.092 1.00 13.03 ? 149 SER A O 1 ATOM 2444 C CB . SER A 1 149 ? 6.072 12.885 52.114 1.00 14.88 ? 149 SER A CB 1 ATOM 2445 O OG . SER A 1 149 ? 5.778 13.360 50.818 1.00 14.65 ? 149 SER A OG 1 ATOM 2446 H H . SER A 1 149 ? 8.175 14.046 51.609 1.00 14.56 ? 149 SER A H 1 ATOM 2447 H HA . SER A 1 149 ? 7.617 11.970 53.126 1.00 14.27 ? 149 SER A HA 1 ATOM 2448 H HB2 . SER A 1 149 ? 5.436 12.190 52.342 1.00 17.85 ? 149 SER A HB2 1 ATOM 2449 H HB3 . SER A 1 149 ? 5.991 13.621 52.741 1.00 17.85 ? 149 SER A HB3 1 ATOM 2450 H HG . SER A 1 149 ? 6.424 13.247 50.325 1.00 17.57 ? 149 SER A HG 1 ATOM 2451 N N . PHE A 1 150 ? 7.299 9.965 51.757 1.00 11.25 ? 150 PHE A N 1 ATOM 2452 C CA . PHE A 1 150 ? 7.262 8.762 50.948 1.00 11.13 ? 150 PHE A CA 1 ATOM 2453 C C . PHE A 1 150 ? 5.874 8.556 50.367 1.00 11.62 ? 150 PHE A C 1 ATOM 2454 O O . PHE A 1 150 ? 4.871 8.528 51.098 1.00 13.23 ? 150 PHE A O 1 ATOM 2455 C CB . PHE A 1 150 ? 7.673 7.537 51.771 1.00 9.38 ? 150 PHE A CB 1 ATOM 2456 C CG . PHE A 1 150 ? 7.601 6.260 50.989 1.00 8.99 ? 150 PHE A CG 1 ATOM 2457 C CD1 . PHE A 1 150 ? 8.608 5.918 50.108 1.00 9.40 ? 150 PHE A CD1 1 ATOM 2458 C CD2 . PHE A 1 150 ? 6.479 5.451 51.044 1.00 8.75 ? 150 PHE A CD2 1 ATOM 2459 C CE1 . PHE A 1 150 ? 8.544 4.748 49.352 1.00 10.72 ? 150 PHE A CE1 1 ATOM 2460 C CE2 . PHE A 1 150 ? 6.395 4.291 50.285 1.00 10.17 ? 150 PHE A CE2 1 ATOM 2461 C CZ . PHE A 1 150 ? 7.442 3.939 49.429 1.00 10.57 ? 150 PHE A CZ 1 ATOM 2462 H H . PHE A 1 150 ? 7.092 9.836 52.581 1.00 13.49 ? 150 PHE A H 1 ATOM 2463 H HA . PHE A 1 150 ? 7.893 8.856 50.204 1.00 13.34 ? 150 PHE A HA 1 ATOM 2464 H HB2 . PHE A 1 150 ? 8.587 7.652 52.074 1.00 11.25 ? 150 PHE A HB2 1 ATOM 2465 H HB3 . PHE A 1 150 ? 7.079 7.456 52.534 1.00 11.25 ? 150 PHE A HB3 1 ATOM 2466 H HD1 . PHE A 1 150 ? 9.364 6.457 50.050 1.00 11.27 ? 150 PHE A HD1 1 ATOM 2467 H HD2 . PHE A 1 150 ? 5.779 5.677 51.614 1.00 10.49 ? 150 PHE A HD2 1 ATOM 2468 H HE1 . PHE A 1 150 ? 9.244 4.525 48.783 1.00 12.86 ? 150 PHE A HE1 1 ATOM 2469 H HE2 . PHE A 1 150 ? 5.646 3.744 50.353 1.00 12.20 ? 150 PHE A HE2 1 ATOM 2470 H HZ . PHE A 1 150 ? 7.393 3.160 48.923 1.00 12.67 ? 150 PHE A HZ 1 ATOM 2471 N N . VAL A 1 151 ? 5.798 8.443 49.050 1.00 9.43 ? 151 VAL A N 1 ATOM 2472 C CA . VAL A 1 151 ? 4.569 8.149 48.339 1.00 9.39 ? 151 VAL A CA 1 ATOM 2473 C C . VAL A 1 151 ? 4.798 6.829 47.638 1.00 10.22 ? 151 VAL A C 1 ATOM 2474 O O . VAL A 1 151 ? 5.780 6.665 46.903 1.00 10.11 ? 151 VAL A O 1 ATOM 2475 C CB . VAL A 1 151 ? 4.210 9.246 47.295 1.00 10.42 ? 151 VAL A CB 1 ATOM 2476 C CG1 . VAL A 1 151 ? 2.893 8.952 46.603 1.00 12.31 ? 151 VAL A CG1 1 ATOM 2477 C CG2 . VAL A 1 151 ? 4.172 10.595 47.980 1.00 11.47 ? 151 VAL A CG2 1 ATOM 2478 H H . VAL A 1 151 ? 6.475 8.537 48.528 1.00 11.30 ? 151 VAL A H 1 ATOM 2479 H HA . VAL A 1 151 ? 3.827 8.052 48.972 1.00 11.26 ? 151 VAL A HA 1 ATOM 2480 H HB . VAL A 1 151 ? 4.910 9.275 46.611 1.00 12.49 ? 151 VAL A HB 1 ATOM 2481 H HG11 . VAL A 1 151 ? 2.710 9.650 45.970 1.00 14.75 ? 151 VAL A HG11 1 ATOM 2482 H HG12 . VAL A 1 151 ? 2.960 8.108 46.149 1.00 14.75 ? 151 VAL A HG12 1 ATOM 2483 H HG13 . VAL A 1 151 ? 2.195 8.915 47.261 1.00 14.75 ? 151 VAL A HG13 1 ATOM 2484 H HG21 . VAL A 1 151 ? 3.950 11.268 47.332 1.00 13.76 ? 151 VAL A HG21 1 ATOM 2485 H HG22 . VAL A 1 151 ? 3.508 10.575 48.673 1.00 13.76 ? 151 VAL A HG22 1 ATOM 2486 H HG23 . VAL A 1 151 ? 5.035 10.776 48.359 1.00 13.76 ? 151 VAL A HG23 1 ATOM 2487 N N . GLY A 1 152 ? 3.915 5.872 47.877 1.00 9.57 ? 152 GLY A N 1 ATOM 2488 C CA . GLY A 1 152 ? 4.089 4.544 47.321 1.00 10.71 ? 152 GLY A CA 1 ATOM 2489 C C . GLY A 1 152 ? 3.747 3.492 48.354 1.00 8.33 ? 152 GLY A C 1 ATOM 2490 O O . GLY A 1 152 ? 2.954 3.739 49.256 1.00 9.33 ? 152 GLY A O 1 ATOM 2491 H H . GLY A 1 152 ? 3.209 5.966 48.358 1.00 11.47 ? 152 GLY A H 1 ATOM 2492 H HA2 . GLY A 1 152 ? 3.508 4.430 46.552 1.00 12.84 ? 152 GLY A HA2 1 ATOM 2493 H HA3 . GLY A 1 152 ? 5.009 4.422 47.041 1.00 12.84 ? 152 GLY A HA3 1 ATOM 2494 N N . GLU A 1 153 ? 4.358 2.319 48.217 1.00 7.68 ? 153 GLU A N 1 ATOM 2495 C CA . GLU A 1 153 ? 3.974 1.155 48.996 1.00 8.47 ? 153 GLU A CA 1 ATOM 2496 C C . GLU A 1 153 ? 5.159 0.581 49.739 1.00 8.68 ? 153 GLU A C 1 ATOM 2497 O O . GLU A 1 153 ? 6.263 0.517 49.184 1.00 8.77 ? 153 GLU A O 1 ATOM 2498 C CB . GLU A 1 153 ? 3.376 0.102 48.056 1.00 7.86 ? 153 GLU A CB 1 ATOM 2499 C CG . GLU A 1 153 ? 2.233 0.668 47.207 1.00 9.01 ? 153 GLU A CG 1 ATOM 2500 C CD . GLU A 1 153 ? 1.591 -0.374 46.330 1.00 10.50 ? 153 GLU A CD 1 ATOM 2501 O OE1 . GLU A 1 153 ? 1.433 -1.520 46.785 1.00 10.08 ? 153 GLU A OE1 1 ATOM 2502 O OE2 . GLU A 1 153 ? 1.233 -0.058 45.169 1.00 10.85 ? 153 GLU A OE2 1 ATOM 2503 H H . GLU A 1 153 ? 5.006 2.173 47.671 1.00 9.21 ? 153 GLU A H 1 ATOM 2504 H HA . GLU A 1 153 ? 3.291 1.411 49.651 1.00 10.15 ? 153 GLU A HA 1 ATOM 2505 H HB2 . GLU A 1 153 ? 4.067 -0.218 47.456 1.00 9.43 ? 153 GLU A HB2 1 ATOM 2506 H HB3 . GLU A 1 153 ? 3.025 -0.632 48.584 1.00 9.43 ? 153 GLU A HB3 1 ATOM 2507 H HG2 . GLU A 1 153 ? 1.550 1.028 47.795 1.00 10.80 ? 153 GLU A HG2 1 ATOM 2508 H HG3 . GLU A 1 153 ? 2.582 1.369 46.634 1.00 10.80 ? 153 GLU A HG3 1 ATOM 2509 N N . ILE A 1 154 ? 4.949 0.195 50.994 1.00 8.90 ? 154 ILE A N 1 ATOM 2510 C CA . ILE A 1 154 ? 5.997 -0.491 51.769 1.00 7.44 ? 154 ILE A CA 1 ATOM 2511 C C . ILE A 1 154 ? 5.448 -1.737 52.427 1.00 9.31 ? 154 ILE A C 1 ATOM 2512 O O . ILE A 1 154 ? 4.348 -1.721 52.992 1.00 10.17 ? 154 ILE A O 1 ATOM 2513 C CB . ILE A 1 154 ? 6.568 0.417 52.879 1.00 10.49 ? 154 ILE A CB 1 ATOM 2514 C CG1 . ILE A 1 154 ? 7.288 1.590 52.273 1.00 14.23 ? 154 ILE A CG1 1 ATOM 2515 C CG2 . ILE A 1 154 ? 7.488 -0.366 53.871 1.00 13.07 ? 154 ILE A CG2 1 ATOM 2516 C CD1 . ILE A 1 154 ? 7.712 2.667 53.263 1.00 18.42 ? 154 ILE A CD1 1 ATOM 2517 H H . ILE A 1 154 ? 4.214 0.315 51.425 1.00 10.67 ? 154 ILE A H 1 ATOM 2518 H HA . ILE A 1 154 ? 6.729 -0.751 51.171 1.00 8.92 ? 154 ILE A HA 1 ATOM 2519 H HB . ILE A 1 154 ? 5.819 0.764 53.387 1.00 12.58 ? 154 ILE A HB 1 ATOM 2520 H HG12 . ILE A 1 154 ? 8.088 1.267 51.832 1.00 17.06 ? 154 ILE A HG12 1 ATOM 2521 H HG13 . ILE A 1 154 ? 6.703 2.007 51.621 1.00 17.06 ? 154 ILE A HG13 1 ATOM 2522 H HG21 . ILE A 1 154 ? 7.816 0.241 54.538 1.00 15.68 ? 154 ILE A HG21 1 ATOM 2523 H HG22 . ILE A 1 154 ? 6.976 -1.064 54.286 1.00 15.68 ? 154 ILE A HG22 1 ATOM 2524 H HG23 . ILE A 1 154 ? 8.223 -0.744 53.383 1.00 15.68 ? 154 ILE A HG23 1 ATOM 2525 H HD11 . ILE A 1 154 ? 8.160 3.370 52.787 1.00 22.09 ? 154 ILE A HD11 1 ATOM 2526 H HD12 . ILE A 1 154 ? 6.932 3.014 53.701 1.00 22.09 ? 154 ILE A HD12 1 ATOM 2527 H HD13 . ILE A 1 154 ? 8.306 2.279 53.910 1.00 22.09 ? 154 ILE A HD13 1 ATOM 2528 N N . GLY A 1 155 ? 6.192 -2.830 52.351 1.00 8.01 ? 155 GLY A N 1 ATOM 2529 C CA . GLY A 1 155 ? 5.793 -4.055 53.023 1.00 9.84 ? 155 GLY A CA 1 ATOM 2530 C C . GLY A 1 155 ? 6.975 -4.844 53.532 1.00 8.78 ? 155 GLY A C 1 ATOM 2531 O O . GLY A 1 155 ? 8.126 -4.442 53.377 1.00 8.39 ? 155 GLY A O 1 ATOM 2532 H H . GLY A 1 155 ? 6.931 -2.889 51.916 1.00 9.60 ? 155 GLY A H 1 ATOM 2533 H HA2 . GLY A 1 155 ? 5.221 -3.839 53.776 1.00 11.80 ? 155 GLY A HA2 1 ATOM 2534 H HA3 . GLY A 1 155 ? 5.293 -4.614 52.407 1.00 11.80 ? 155 GLY A HA3 1 ATOM 2535 N N . ASP A 1 156 ? 6.674 -6.001 54.122 1.00 8.11 ? 156 ASP A N 1 ATOM 2536 C CA . ASP A 1 156 ? 7.690 -6.995 54.487 1.00 8.00 ? 156 ASP A CA 1 ATOM 2537 C C . ASP A 1 156 ? 8.809 -6.331 55.301 1.00 7.98 ? 156 ASP A C 1 ATOM 2538 O O . ASP A 1 156 ? 9.990 -6.577 55.040 1.00 8.39 ? 156 ASP A O 1 ATOM 2539 C CB . ASP A 1 156 ? 8.225 -7.698 53.250 1.00 7.98 ? 156 ASP A CB 1 ATOM 2540 C CG . ASP A 1 156 ? 7.210 -8.575 52.594 1.00 14.57 ? 156 ASP A CG 1 ATOM 2541 O OD1 . ASP A 1 156 ? 6.192 -8.922 53.239 1.00 16.25 ? 156 ASP A OD1 1 ATOM 2542 O OD2 . ASP A 1 156 ? 7.415 -8.931 51.416 1.00 15.90 ? 156 ASP A OD2 1 ATOM 2543 H H . ASP A 1 156 ? 5.873 -6.239 54.327 1.00 9.72 ? 156 ASP A H 1 ATOM 2544 H HA . ASP A 1 156 ? 7.273 -7.675 55.056 1.00 9.59 ? 156 ASP A HA 1 ATOM 2545 H HB2 . ASP A 1 156 ? 8.507 -7.031 52.604 1.00 9.56 ? 156 ASP A HB2 1 ATOM 2546 H HB3 . ASP A 1 156 ? 8.980 -8.252 53.503 1.00 9.56 ? 156 ASP A HB3 1 ATOM 2547 N N . LEU A 1 157 ? 8.449 -5.537 56.299 1.00 6.53 ? 157 LEU A N 1 ATOM 2548 C CA . LEU A 1 157 ? 9.434 -4.848 57.130 1.00 6.20 ? 157 LEU A CA 1 ATOM 2549 C C . LEU A 1 157 ? 9.759 -5.641 58.385 1.00 9.19 ? 157 LEU A C 1 ATOM 2550 O O . LEU A 1 157 ? 8.864 -6.075 59.116 1.00 9.14 ? 157 LEU A O 1 ATOM 2551 C CB . LEU A 1 157 ? 8.933 -3.461 57.503 1.00 8.89 ? 157 LEU A CB 1 ATOM 2552 C CG . LEU A 1 157 ? 9.951 -2.549 58.191 1.00 8.55 ? 157 LEU A CG 1 ATOM 2553 C CD1 . LEU A 1 157 ? 9.708 -1.089 57.877 1.00 10.56 ? 157 LEU A CD1 1 ATOM 2554 C CD2 . LEU A 1 157 ? 9.916 -2.766 59.715 1.00 10.96 ? 157 LEU A CD2 1 ATOM 2555 H H . LEU A 1 157 ? 7.634 -5.376 56.520 1.00 7.82 ? 157 LEU A H 1 ATOM 2556 H HA . LEU A 1 157 ? 10.262 -4.742 56.617 1.00 7.43 ? 157 LEU A HA 1 ATOM 2557 H HB2 . LEU A 1 157 ? 8.642 -3.013 56.694 1.00 10.66 ? 157 LEU A HB2 1 ATOM 2558 H HB3 . LEU A 1 157 ? 8.180 -3.561 58.106 1.00 10.66 ? 157 LEU A HB3 1 ATOM 2559 H HG . LEU A 1 157 ? 10.840 -2.777 57.877 1.00 10.25 ? 157 LEU A HG 1 ATOM 2560 H HD11 . LEU A 1 157 ? 10.368 -0.558 58.329 1.00 12.66 ? 157 LEU A HD11 1 ATOM 2561 H HD12 . LEU A 1 157 ? 9.775 -0.959 56.928 1.00 12.66 ? 157 LEU A HD12 1 ATOM 2562 H HD13 . LEU A 1 157 ? 8.829 -0.847 58.180 1.00 12.66 ? 157 LEU A HD13 1 ATOM 2563 H HD21 . LEU A 1 157 ? 10.560 -2.186 60.128 1.00 13.14 ? 157 LEU A HD21 1 ATOM 2564 H HD22 . LEU A 1 157 ? 9.035 -2.562 60.039 1.00 13.14 ? 157 LEU A HD22 1 ATOM 2565 H HD23 . LEU A 1 157 ? 10.131 -3.682 59.904 1.00 13.14 ? 157 LEU A HD23 1 ATOM 2566 N N . TYR A 1 158 ? 11.056 -5.810 58.620 1.00 6.75 ? 158 TYR A N 1 ATOM 2567 C CA . TYR A 1 158 ? 11.606 -6.522 59.742 1.00 6.54 ? 158 TYR A CA 1 ATOM 2568 C C . TYR A 1 158 ? 12.819 -5.806 60.280 1.00 8.32 ? 158 TYR A C 1 ATOM 2569 O O . TYR A 1 158 ? 13.632 -5.284 59.500 1.00 9.71 ? 158 TYR A O 1 ATOM 2570 C CB . TYR A 1 158 ? 12.020 -7.943 59.348 1.00 8.71 ? 158 TYR A CB 1 ATOM 2571 C CG . TYR A 1 158 ? 10.889 -8.765 58.803 1.00 8.67 ? 158 TYR A CG 1 ATOM 2572 C CD1 . TYR A 1 158 ? 10.551 -8.738 57.464 1.00 8.23 ? 158 TYR A CD1 1 ATOM 2573 C CD2 . TYR A 1 158 ? 10.126 -9.528 59.649 1.00 10.99 ? 158 TYR A CD2 1 ATOM 2574 C CE1 . TYR A 1 158 ? 9.446 -9.476 56.985 1.00 8.55 ? 158 TYR A CE1 1 ATOM 2575 C CE2 . TYR A 1 158 ? 9.045 -10.235 59.181 1.00 10.12 ? 158 TYR A CE2 1 ATOM 2576 C CZ . TYR A 1 158 ? 8.728 -10.216 57.860 1.00 9.15 ? 158 TYR A CZ 1 ATOM 2577 O OH . TYR A 1 158 ? 7.618 -10.953 57.429 1.00 12.30 ? 158 TYR A OH 1 ATOM 2578 H H . TYR A 1 158 ? 11.666 -5.495 58.101 1.00 8.09 ? 158 TYR A H 1 ATOM 2579 H HA . TYR A 1 158 ? 10.936 -6.579 60.454 1.00 7.84 ? 158 TYR A HA 1 ATOM 2580 H HB2 . TYR A 1 158 ? 12.707 -7.891 58.664 1.00 10.44 ? 158 TYR A HB2 1 ATOM 2581 H HB3 . TYR A 1 158 ? 12.368 -8.397 60.131 1.00 10.44 ? 158 TYR A HB3 1 ATOM 2582 H HD1 . TYR A 1 158 ? 11.048 -8.218 56.874 1.00 9.86 ? 158 TYR A HD1 1 ATOM 2583 H HD2 . TYR A 1 158 ? 10.324 -9.541 60.558 1.00 13.18 ? 158 TYR A HD2 1 ATOM 2584 H HE1 . TYR A 1 158 ? 9.222 -9.460 56.083 1.00 10.25 ? 158 TYR A HE1 1 ATOM 2585 H HE2 . TYR A 1 158 ? 8.541 -10.750 59.768 1.00 12.13 ? 158 TYR A HE2 1 ATOM 2586 H HH . TYR A 1 158 ? 7.848 -11.501 56.864 1.00 14.74 ? 158 TYR A HH 1 ATOM 2587 N N . MET A 1 159 ? 12.989 -5.812 61.597 1.00 7.73 ? 159 MET A N 1 ATOM 2588 C CA . MET A 1 159 ? 14.188 -5.240 62.196 1.00 8.16 ? 159 MET A CA 1 ATOM 2589 C C . MET A 1 159 ? 14.647 -6.156 63.318 1.00 8.91 ? 159 MET A C 1 ATOM 2590 O O . MET A 1 159 ? 13.840 -6.539 64.194 1.00 8.92 ? 159 MET A O 1 ATOM 2591 C CB . MET A 1 159 ? 13.920 -3.837 62.711 1.00 8.74 ? 159 MET A CB 1 ATOM 2592 C CG . MET A 1 159 ? 15.195 -3.103 63.128 1.00 10.16 ? 159 MET A CG 1 ATOM 2593 S SD . MET A 1 159 ? 14.787 -1.426 63.629 1.00 11.58 ? 159 MET A SD 1 ATOM 2594 C CE . MET A 1 159 ? 16.406 -0.736 64.005 1.00 12.72 ? 159 MET A CE 1 ATOM 2595 H H . MET A 1 159 ? 12.430 -6.139 62.162 1.00 9.26 ? 159 MET A H 1 ATOM 2596 H HA . MET A 1 159 ? 14.893 -5.186 61.517 1.00 9.77 ? 159 MET A HA 1 ATOM 2597 H HB2 . MET A 1 159 ? 13.492 -3.320 62.010 1.00 10.48 ? 159 MET A HB2 1 ATOM 2598 H HB3 . MET A 1 159 ? 13.338 -3.891 63.485 1.00 10.48 ? 159 MET A HB3 1 ATOM 2599 H HG2 . MET A 1 159 ? 15.604 -3.560 63.880 1.00 12.18 ? 159 MET A HG2 1 ATOM 2600 H HG3 . MET A 1 159 ? 15.808 -3.062 62.378 1.00 12.18 ? 159 MET A HG3 1 ATOM 2601 H HE1 . MET A 1 159 ? 16.299 0.175 64.288 1.00 15.26 ? 159 MET A HE1 1 ATOM 2602 H HE2 . MET A 1 159 ? 16.810 -1.252 64.706 1.00 15.26 ? 159 MET A HE2 1 ATOM 2603 H HE3 . MET A 1 159 ? 16.952 -0.773 63.215 1.00 15.26 ? 159 MET A HE3 1 ATOM 2604 N N . TRP A 1 160 ? 15.924 -6.516 63.268 1.00 8.06 ? 160 TRP A N 1 ATOM 2605 C CA . TRP A 1 160 ? 16.584 -7.411 64.205 1.00 7.22 ? 160 TRP A CA 1 ATOM 2606 C C . TRP A 1 160 ? 17.662 -6.683 64.972 1.00 9.30 ? 160 TRP A C 1 ATOM 2607 O O . TRP A 1 160 ? 18.316 -5.792 64.413 1.00 9.69 ? 160 TRP A O 1 ATOM 2608 C CB . TRP A 1 160 ? 17.300 -8.496 63.427 1.00 9.04 ? 160 TRP A CB 1 ATOM 2609 C CG . TRP A 1 160 ? 16.452 -9.406 62.596 1.00 10.06 ? 160 TRP A CG 1 ATOM 2610 C CD1 . TRP A 1 160 ? 16.005 -10.648 62.967 1.00 9.51 ? 160 TRP A CD1 1 ATOM 2611 C CD2 . TRP A 1 160 ? 16.020 -9.232 61.243 1.00 7.57 ? 160 TRP A CD2 1 ATOM 2612 N NE1 . TRP A 1 160 ? 15.326 -11.233 61.954 1.00 8.91 ? 160 TRP A NE1 1 ATOM 2613 C CE2 . TRP A 1 160 ? 15.313 -10.400 60.868 1.00 9.76 ? 160 TRP A CE2 1 ATOM 2614 C CE3 . TRP A 1 160 ? 16.148 -8.205 60.307 1.00 8.17 ? 160 TRP A CE3 1 ATOM 2615 C CZ2 . TRP A 1 160 ? 14.771 -10.580 59.606 1.00 8.16 ? 160 TRP A CZ2 1 ATOM 2616 C CZ3 . TRP A 1 160 ? 15.622 -8.392 59.042 1.00 8.84 ? 160 TRP A CZ3 1 ATOM 2617 C CH2 . TRP A 1 160 ? 14.899 -9.564 58.709 1.00 9.32 ? 160 TRP A CH2 1 ATOM 2618 H H . TRP A 1 160 ? 16.459 -6.234 62.657 1.00 9.66 ? 160 TRP A H 1 ATOM 2619 H HA . TRP A 1 160 ? 15.940 -7.811 64.826 1.00 8.66 ? 160 TRP A HA 1 ATOM 2620 H HB2 . TRP A 1 160 ? 17.933 -8.069 62.828 1.00 10.83 ? 160 TRP A HB2 1 ATOM 2621 H HB3 . TRP A 1 160 ? 17.782 -9.052 64.058 1.00 10.83 ? 160 TRP A HB3 1 ATOM 2622 H HD1 . TRP A 1 160 ? 16.144 -11.033 63.802 1.00 11.41 ? 160 TRP A HD1 1 ATOM 2623 H HE1 . TRP A 1 160 ? 14.958 -12.010 61.987 1.00 10.68 ? 160 TRP A HE1 1 ATOM 2624 H HE3 . TRP A 1 160 ? 16.640 -7.442 60.506 1.00 9.80 ? 160 TRP A HE3 1 ATOM 2625 H HZ2 . TRP A 1 160 ? 14.284 -11.345 59.398 1.00 9.78 ? 160 TRP A HZ2 1 ATOM 2626 H HZ3 . TRP A 1 160 ? 15.696 -7.711 58.414 1.00 10.59 ? 160 TRP A HZ3 1 ATOM 2627 H HH2 . TRP A 1 160 ? 14.526 -9.649 57.862 1.00 11.18 ? 160 TRP A HH2 1 ATOM 2628 N N . ASP A 1 161 ? 17.901 -7.052 66.226 1.00 10.68 ? 161 ASP A N 1 ATOM 2629 C CA . ASP A 1 161 ? 18.989 -6.453 67.010 1.00 10.87 ? 161 ASP A CA 1 ATOM 2630 C C . ASP A 1 161 ? 20.339 -7.106 66.797 1.00 10.65 ? 161 ASP A C 1 ATOM 2631 O O . ASP A 1 161 ? 21.208 -7.066 67.690 1.00 12.47 ? 161 ASP A O 1 ATOM 2632 C CB . ASP A 1 161 ? 18.637 -6.454 68.521 1.00 11.00 ? 161 ASP A CB 1 ATOM 2633 C CG . ASP A 1 161 ? 18.731 -7.820 69.147 1.00 13.60 ? 161 ASP A CG 1 ATOM 2634 O OD1 . ASP A 1 161 ? 18.877 -8.840 68.471 1.00 13.73 ? 161 ASP A OD1 1 ATOM 2635 O OD2 . ASP A 1 161 ? 18.698 -7.868 70.411 1.00 21.51 ? 161 ASP A OD2 1 ATOM 2636 H H . ASP A 1 161 ? 17.449 -7.648 66.651 1.00 12.80 ? 161 ASP A H 1 ATOM 2637 H HA . ASP A 1 161 ? 19.078 -5.516 66.736 1.00 13.03 ? 161 ASP A HA 1 ATOM 2638 H HB2 . ASP A 1 161 ? 19.253 -5.868 68.988 1.00 13.19 ? 161 ASP A HB2 1 ATOM 2639 H HB3 . ASP A 1 161 ? 17.728 -6.136 68.633 1.00 13.19 ? 161 ASP A HB3 1 ATOM 2640 N N . SER A 1 162 ? 20.548 -7.682 65.615 1.00 9.45 ? 162 SER A N 1 ATOM 2641 C CA . SER A 1 162 ? 21.803 -8.293 65.254 1.00 9.40 ? 162 SER A CA 1 ATOM 2642 C C . SER A 1 162 ? 22.140 -7.976 63.810 1.00 10.00 ? 162 SER A C 1 ATOM 2643 O O . SER A 1 162 ? 21.271 -7.514 63.071 1.00 10.61 ? 162 SER A O 1 ATOM 2644 C CB . SER A 1 162 ? 21.763 -9.790 65.505 1.00 12.15 ? 162 SER A CB 1 ATOM 2645 O OG . SER A 1 162 ? 20.803 -10.431 64.675 1.00 13.35 ? 162 SER A OG 1 ATOM 2646 H H . SER A 1 162 ? 19.954 -7.727 64.995 1.00 11.32 ? 162 SER A H 1 ATOM 2647 H HA . SER A 1 162 ? 22.511 -7.915 65.817 1.00 11.27 ? 162 SER A HA 1 ATOM 2648 H HB2 . SER A 1 162 ? 22.638 -10.163 65.318 1.00 14.57 ? 162 SER A HB2 1 ATOM 2649 H HB3 . SER A 1 162 ? 21.529 -9.947 66.434 1.00 14.57 ? 162 SER A HB3 1 ATOM 2650 H HG . SER A 1 162 ? 20.796 -11.237 64.825 1.00 16.01 ? 162 SER A HG 1 ATOM 2651 N N . VAL A 1 163 ? 23.369 -8.265 63.407 1.00 10.68 ? 163 VAL A N 1 ATOM 2652 C CA . VAL A 1 163 ? 23.774 -8.172 62.011 1.00 9.38 ? 163 VAL A CA 1 ATOM 2653 C C . VAL A 1 163 ? 23.525 -9.482 61.319 1.00 10.82 ? 163 VAL A C 1 ATOM 2654 O O . VAL A 1 163 ? 24.179 -10.480 61.610 1.00 11.95 ? 163 VAL A O 1 ATOM 2655 C CB . VAL A 1 163 ? 25.251 -7.793 61.890 1.00 9.06 ? 163 VAL A CB 1 ATOM 2656 C CG1 . VAL A 1 163 ? 25.706 -7.791 60.414 1.00 11.99 ? 163 VAL A CG1 1 ATOM 2657 C CG2 . VAL A 1 163 ? 25.475 -6.424 62.519 1.00 13.97 ? 163 VAL A CG2 1 ATOM 2658 H H . VAL A 1 163 ? 23.999 -8.523 63.933 1.00 12.81 ? 163 VAL A H 1 ATOM 2659 H HA . VAL A 1 163 ? 23.241 -7.481 61.565 1.00 11.25 ? 163 VAL A HA 1 ATOM 2660 H HB . VAL A 1 163 ? 25.793 -8.448 62.378 1.00 10.86 ? 163 VAL A HB 1 ATOM 2661 H HG11 . VAL A 1 163 ? 26.634 -7.551 60.374 1.00 14.38 ? 163 VAL A HG11 1 ATOM 2662 H HG12 . VAL A 1 163 ? 25.579 -8.669 60.047 1.00 14.38 ? 163 VAL A HG12 1 ATOM 2663 H HG13 . VAL A 1 163 ? 25.180 -7.153 59.926 1.00 14.38 ? 163 VAL A HG13 1 ATOM 2664 H HG21 . VAL A 1 163 ? 26.403 -6.192 62.440 1.00 16.76 ? 163 VAL A HG21 1 ATOM 2665 H HG22 . VAL A 1 163 ? 24.935 -5.777 62.059 1.00 16.76 ? 163 VAL A HG22 1 ATOM 2666 H HG23 . VAL A 1 163 ? 25.224 -6.461 63.445 1.00 16.76 ? 163 VAL A HG23 1 ATOM 2667 N N . LEU A 1 164 ? 22.601 -9.489 60.364 1.00 10.74 ? 164 LEU A N 1 ATOM 2668 C CA . LEU A 1 164 ? 22.310 -10.744 59.680 1.00 10.86 ? 164 LEU A CA 1 ATOM 2669 C C . LEU A 1 164 ? 23.425 -11.131 58.716 1.00 8.62 ? 164 LEU A C 1 ATOM 2670 O O . LEU A 1 164 ? 23.917 -10.301 57.963 1.00 10.88 ? 164 LEU A O 1 ATOM 2671 C CB . LEU A 1 164 ? 20.999 -10.636 58.883 1.00 10.44 ? 164 LEU A CB 1 ATOM 2672 C CG . LEU A 1 164 ? 19.681 -10.431 59.612 1.00 14.66 ? 164 LEU A CG 1 ATOM 2673 C CD1 . LEU A 1 164 ? 18.491 -10.542 58.638 1.00 12.31 ? 164 LEU A CD1 1 ATOM 2674 C CD2 . LEU A 1 164 ? 19.521 -11.385 60.728 1.00 15.81 ? 164 LEU A CD2 1 ATOM 2675 H H . LEU A 1 164 ? 22.145 -8.809 60.100 1.00 12.87 ? 164 LEU A H 1 ATOM 2676 H HA . LEU A 1 164 ? 22.211 -11.459 60.342 1.00 13.02 ? 164 LEU A HA 1 ATOM 2677 H HB2 . LEU A 1 164 ? 21.093 -9.891 58.269 1.00 12.52 ? 164 LEU A HB2 1 ATOM 2678 H HB3 . LEU A 1 164 ? 20.904 -11.453 58.368 1.00 12.52 ? 164 LEU A HB3 1 ATOM 2679 H HG . LEU A 1 164 ? 19.671 -9.537 59.987 1.00 17.58 ? 164 LEU A HG 1 ATOM 2680 H HD11 . LEU A 1 164 ? 17.675 -10.408 59.125 1.00 14.76 ? 164 LEU A HD11 1 ATOM 2681 H HD12 . LEU A 1 164 ? 18.580 -9.870 57.958 1.00 14.76 ? 164 LEU A HD12 1 ATOM 2682 H HD13 . LEU A 1 164 ? 18.495 -11.415 58.238 1.00 14.76 ? 164 LEU A HD13 1 ATOM 2683 H HD21 . LEU A 1 164 ? 18.680 -11.222 61.160 1.00 18.96 ? 164 LEU A HD21 1 ATOM 2684 H HD22 . LEU A 1 164 ? 19.543 -12.279 60.379 1.00 18.96 ? 164 LEU A HD22 1 ATOM 2685 H HD23 . LEU A 1 164 ? 20.240 -11.259 61.351 1.00 18.96 ? 164 LEU A HD23 1 ATOM 2686 N N . PRO A 1 165 ? 23.752 -12.441 58.652 1.00 11.74 ? 165 PRO A N 1 ATOM 2687 C CA . PRO A 1 165 ? 24.620 -12.939 57.613 1.00 12.19 ? 165 PRO A CA 1 ATOM 2688 C C . PRO A 1 165 ? 23.918 -13.009 56.270 1.00 10.21 ? 165 PRO A C 1 ATOM 2689 O O . PRO A 1 165 ? 22.669 -12.987 56.185 1.00 9.78 ? 165 PRO A O 1 ATOM 2690 C CB . PRO A 1 165 ? 24.970 -14.354 58.095 1.00 12.69 ? 165 PRO A CB 1 ATOM 2691 C CG . PRO A 1 165 ? 23.858 -14.763 58.863 1.00 13.37 ? 165 PRO A CG 1 ATOM 2692 C CD . PRO A 1 165 ? 23.299 -13.509 59.549 1.00 13.66 ? 165 PRO A CD 1 ATOM 2693 H HA . PRO A 1 165 ? 25.433 -12.397 57.542 1.00 14.61 ? 165 PRO A HA 1 ATOM 2694 H HB2 . PRO A 1 165 ? 25.094 -14.939 57.332 1.00 15.22 ? 165 PRO A HB2 1 ATOM 2695 H HB3 . PRO A 1 165 ? 25.772 -14.325 58.641 1.00 15.22 ? 165 PRO A HB3 1 ATOM 2696 H HG2 . PRO A 1 165 ? 23.190 -15.154 58.278 1.00 16.03 ? 165 PRO A HG2 1 ATOM 2697 H HG3 . PRO A 1 165 ? 24.146 -15.410 59.526 1.00 16.03 ? 165 PRO A HG3 1 ATOM 2698 H HD2 . PRO A 1 165 ? 22.330 -13.541 59.581 1.00 16.38 ? 165 PRO A HD2 1 ATOM 2699 H HD3 . PRO A 1 165 ? 23.685 -13.402 60.432 1.00 16.38 ? 165 PRO A HD3 1 ATOM 2700 N N . PRO A 1 166 ? 24.689 -13.101 55.207 1.00 10.56 ? 166 PRO A N 1 ATOM 2701 C CA . PRO A 1 166 ? 24.124 -13.121 53.864 1.00 10.11 ? 166 PRO A CA 1 ATOM 2702 C C . PRO A 1 166 ? 22.974 -14.115 53.673 1.00 10.05 ? 166 PRO A C 1 ATOM 2703 O O . PRO A 1 166 ? 21.970 -13.788 53.061 1.00 11.18 ? 166 PRO A O 1 ATOM 2704 C CB . PRO A 1 166 ? 25.317 -13.485 52.987 1.00 10.78 ? 166 PRO A CB 1 ATOM 2705 C CG . PRO A 1 166 ? 26.458 -12.908 53.725 1.00 10.75 ? 166 PRO A CG 1 ATOM 2706 C CD . PRO A 1 166 ? 26.167 -13.135 55.166 1.00 11.26 ? 166 PRO A CD 1 ATOM 2707 H HA . PRO A 1 166 ? 23.812 -12.224 53.620 1.00 12.12 ? 166 PRO A HA 1 ATOM 2708 H HB2 . PRO A 1 166 ? 25.397 -14.449 52.918 1.00 12.93 ? 166 PRO A HB2 1 ATOM 2709 H HB3 . PRO A 1 166 ? 25.224 -13.076 52.113 1.00 12.93 ? 166 PRO A HB3 1 ATOM 2710 H HG2 . PRO A 1 166 ? 27.275 -13.363 53.467 1.00 12.89 ? 166 PRO A HG2 1 ATOM 2711 H HG3 . PRO A 1 166 ? 26.521 -11.959 53.536 1.00 12.89 ? 166 PRO A HG3 1 ATOM 2712 H HD2 . PRO A 1 166 ? 26.495 -14.003 55.448 1.00 13.50 ? 166 PRO A HD2 1 ATOM 2713 H HD3 . PRO A 1 166 ? 26.538 -12.419 55.705 1.00 13.50 ? 166 PRO A HD3 1 ATOM 2714 N N . GLU A 1 167 ? 23.082 -15.304 54.228 1.00 9.72 ? 167 GLU A N 1 ATOM 2715 C CA . GLU A 1 167 ? 22.023 -16.283 53.977 1.00 12.04 ? 167 GLU A CA 1 ATOM 2716 C C . GLU A 1 167 ? 20.690 -15.804 54.536 1.00 10.50 ? 167 GLU A C 1 ATOM 2717 O O . GLU A 1 167 ? 19.629 -16.067 53.940 1.00 11.90 ? 167 GLU A O 1 ATOM 2718 C CB . GLU A 1 167 ? 22.427 -17.655 54.538 1.00 17.78 ? 167 GLU A CB 1 ATOM 2719 C CG . GLU A 1 167 ? 22.965 -17.633 55.967 1.00 21.33 ? 167 GLU A CG 1 ATOM 2720 C CD . GLU A 1 167 ? 24.549 -17.468 56.125 1.00 30.02 ? 167 GLU A CD 1 ATOM 2721 O OE1 . GLU A 1 167 ? 25.276 -16.694 55.388 1.00 16.39 ? 167 GLU A OE1 1 ATOM 2722 O OE2 . GLU A 1 167 ? 25.073 -18.143 57.062 1.00 32.66 ? 167 GLU A OE2 1 ATOM 2723 H H . GLU A 1 167 ? 23.724 -15.570 54.734 1.00 11.65 ? 167 GLU A H 1 ATOM 2724 H HA . GLU A 1 167 ? 21.916 -16.382 53.008 1.00 14.43 ? 167 GLU A HA 1 ATOM 2725 H HB2 . GLU A 1 167 ? 21.648 -18.234 54.528 1.00 21.32 ? 167 GLU A HB2 1 ATOM 2726 H HB3 . GLU A 1 167 ? 23.118 -18.030 53.971 1.00 21.32 ? 167 GLU A HB3 1 ATOM 2727 H HG2 . GLU A 1 167 ? 22.549 -16.893 56.437 1.00 25.59 ? 167 GLU A HG2 1 ATOM 2728 H HG3 . GLU A 1 167 ? 22.717 -18.467 56.397 1.00 25.59 ? 167 GLU A HG3 1 ATOM 2729 N N . ASN A 1 168 ? 20.723 -15.100 55.674 1.00 10.30 ? 168 ASN A N 1 ATOM 2730 C CA . ASN A 1 168 ? 19.481 -14.663 56.286 1.00 8.86 ? 168 ASN A CA 1 ATOM 2731 C C . ASN A 1 168 ? 18.891 -13.439 55.555 1.00 10.04 ? 168 ASN A C 1 ATOM 2732 O O . ASN A 1 168 ? 17.678 -13.257 55.488 1.00 9.55 ? 168 ASN A O 1 ATOM 2733 C CB . ASN A 1 168 ? 19.608 -14.315 57.759 1.00 10.39 ? 168 ASN A CB 1 ATOM 2734 C CG . ASN A 1 168 ? 20.077 -15.457 58.644 1.00 15.69 ? 168 ASN A CG 1 ATOM 2735 O OD1 . ASN A 1 168 ? 20.570 -15.193 59.743 1.00 18.13 ? 168 ASN A OD1 1 ATOM 2736 N ND2 . ASN A 1 168 ? 19.895 -16.698 58.219 1.00 16.43 ? 168 ASN A ND2 1 ATOM 2737 H H . ASN A 1 168 ? 21.437 -14.872 56.097 1.00 12.35 ? 168 ASN A H 1 ATOM 2738 H HA . ASN A 1 168 ? 18.828 -15.390 56.212 1.00 10.62 ? 168 ASN A HA 1 ATOM 2739 H HB2 . ASN A 1 168 ? 20.247 -13.591 57.852 1.00 12.46 ? 168 ASN A HB2 1 ATOM 2740 H HB3 . ASN A 1 168 ? 18.741 -14.028 58.086 1.00 12.46 ? 168 ASN A HB3 1 ATOM 2741 H HD21 . ASN A 1 168 ? 20.188 -17.453 58.770 1.00 19.71 ? 168 ASN A HD21 1 ATOM 2742 H HD22 . ASN A 1 168 ? 19.466 -16.860 57.352 1.00 19.71 ? 168 ASN A HD22 1 ATOM 2743 N N . ILE A 1 169 ? 19.774 -12.607 54.985 1.00 8.86 ? 169 ILE A N 1 ATOM 2744 C CA . ILE A 1 169 ? 19.336 -11.526 54.097 1.00 10.12 ? 169 ILE A CA 1 ATOM 2745 C C . ILE A 1 169 ? 18.662 -12.073 52.852 1.00 8.09 ? 169 ILE A C 1 ATOM 2746 O O . ILE A 1 169 ? 17.574 -11.608 52.460 1.00 9.93 ? 169 ILE A O 1 ATOM 2747 C CB . ILE A 1 169 ? 20.523 -10.598 53.736 1.00 10.70 ? 169 ILE A CB 1 ATOM 2748 C CG1 . ILE A 1 169 ? 21.000 -9.895 54.993 1.00 12.70 ? 169 ILE A CG1 1 ATOM 2749 C CG2 . ILE A 1 169 ? 20.112 -9.571 52.689 1.00 11.38 ? 169 ILE A CG2 1 ATOM 2750 C CD1 . ILE A 1 169 ? 22.319 -9.219 54.870 1.00 19.00 ? 169 ILE A CD1 1 ATOM 2751 H H . ILE A 1 169 ? 20.626 -12.648 55.097 1.00 10.62 ? 169 ILE A H 1 ATOM 2752 H HA . ILE A 1 169 ? 18.673 -10.983 54.573 1.00 12.13 ? 169 ILE A HA 1 ATOM 2753 H HB . ILE A 1 169 ? 21.247 -11.137 53.382 1.00 12.83 ? 169 ILE A HB 1 ATOM 2754 H HG12 . ILE A 1 169 ? 20.347 -9.220 55.237 1.00 15.23 ? 169 ILE A HG12 1 ATOM 2755 H HG13 . ILE A 1 169 ? 21.073 -10.550 55.705 1.00 15.23 ? 169 ILE A HG13 1 ATOM 2756 H HG21 . ILE A 1 169 ? 20.867 -9.013 52.486 1.00 13.64 ? 169 ILE A HG21 1 ATOM 2757 H HG22 . ILE A 1 169 ? 19.823 -10.031 51.897 1.00 13.64 ? 169 ILE A HG22 1 ATOM 2758 H HG23 . ILE A 1 169 ? 19.395 -9.038 53.038 1.00 13.64 ? 169 ILE A HG23 1 ATOM 2759 H HD11 . ILE A 1 169 ? 22.537 -8.805 55.708 1.00 22.79 ? 169 ILE A HD11 1 ATOM 2760 H HD12 . ILE A 1 169 ? 22.984 -9.873 54.644 1.00 22.79 ? 169 ILE A HD12 1 ATOM 2761 H HD13 . ILE A 1 169 ? 22.265 -8.554 54.180 1.00 22.79 ? 169 ILE A HD13 1 ATOM 2762 N N . LEU A 1 170 ? 19.282 -13.076 52.237 1.00 9.90 ? 170 LEU A N 1 ATOM 2763 C CA . LEU A 1 170 ? 18.678 -13.697 51.049 1.00 11.12 ? 170 LEU A CA 1 ATOM 2764 C C . LEU A 1 170 ? 17.344 -14.362 51.384 1.00 10.67 ? 170 LEU A C 1 ATOM 2765 O O . LEU A 1 170 ? 16.386 -14.256 50.609 1.00 12.01 ? 170 LEU A O 1 ATOM 2766 C CB . LEU A 1 170 ? 19.643 -14.670 50.391 1.00 13.50 ? 170 LEU A CB 1 ATOM 2767 C CG . LEU A 1 170 ? 20.838 -14.002 49.726 1.00 20.53 ? 170 LEU A CG 1 ATOM 2768 C CD1 . LEU A 1 170 ? 21.574 -15.069 48.906 1.00 23.56 ? 170 LEU A CD1 1 ATOM 2769 C CD2 . LEU A 1 170 ? 20.456 -12.855 48.834 1.00 31.02 ? 170 LEU A CD2 1 ATOM 2770 H H . LEU A 1 170 ? 20.037 -13.413 52.477 1.00 11.87 ? 170 LEU A H 1 ATOM 2771 H HA . LEU A 1 170 ? 18.491 -12.990 50.396 1.00 13.33 ? 170 LEU A HA 1 ATOM 2772 H HB2 . LEU A 1 170 ? 19.982 -15.278 51.067 1.00 16.19 ? 170 LEU A HB2 1 ATOM 2773 H HB3 . LEU A 1 170 ? 19.166 -15.170 49.710 1.00 16.19 ? 170 LEU A HB3 1 ATOM 2774 H HG . LEU A 1 170 ? 21.442 -13.670 50.408 1.00 24.62 ? 170 LEU A HG 1 ATOM 2775 H HD11 . LEU A 1 170 ? 22.332 -14.666 48.477 1.00 28.26 ? 170 LEU A HD11 1 ATOM 2776 H HD12 . LEU A 1 170 ? 21.864 -15.770 49.494 1.00 28.26 ? 170 LEU A HD12 1 ATOM 2777 H HD13 . LEU A 1 170 ? 20.974 -15.423 48.245 1.00 28.26 ? 170 LEU A HD13 1 ATOM 2778 H HD21 . LEU A 1 170 ? 21.251 -12.481 48.449 1.00 37.22 ? 170 LEU A HD21 1 ATOM 2779 H HD22 . LEU A 1 170 ? 19.877 -13.179 48.140 1.00 37.22 ? 170 LEU A HD22 1 ATOM 2780 H HD23 . LEU A 1 170 ? 20.001 -12.191 49.357 1.00 37.22 ? 170 LEU A HD23 1 ATOM 2781 N N . SER A 1 171 ? 17.251 -14.974 52.552 1.00 10.96 ? 171 SER A N 1 ATOM 2782 C CA . SER A 1 171 ? 15.969 -15.544 52.982 1.00 10.54 ? 171 SER A CA 1 ATOM 2783 C C . SER A 1 171 ? 14.896 -14.485 53.044 1.00 11.01 ? 171 SER A C 1 ATOM 2784 O O . SER A 1 171 ? 13.779 -14.689 52.571 1.00 12.54 ? 171 SER A O 1 ATOM 2785 C CB . SER A 1 171 ? 16.074 -16.218 54.350 1.00 14.80 ? 171 SER A CB 1 ATOM 2786 O OG . SER A 1 171 ? 16.862 -17.385 54.214 1.00 17.68 ? 171 SER A OG 1 ATOM 2787 H H . SER A 1 171 ? 17.896 -15.075 53.111 1.00 13.14 ? 171 SER A H 1 ATOM 2788 H HA . SER A 1 171 ? 15.689 -16.221 52.332 1.00 12.64 ? 171 SER A HA 1 ATOM 2789 H HB2 . SER A 1 171 ? 16.498 -15.613 54.977 1.00 17.74 ? 171 SER A HB2 1 ATOM 2790 H HB3 . SER A 1 171 ? 15.187 -16.461 54.659 1.00 17.74 ? 171 SER A HB3 1 ATOM 2791 H HG . SER A 1 171 ? 17.106 -17.470 53.436 1.00 21.20 ? 171 SER A HG 1 ATOM 2792 N N . ALA A 1 172 ? 15.198 -13.333 53.632 1.00 10.28 ? 172 ALA A N 1 ATOM 2793 C CA . ALA A 1 172 ? 14.233 -12.249 53.694 1.00 9.77 ? 172 ALA A CA 1 ATOM 2794 C C . ALA A 1 172 ? 13.854 -11.792 52.271 1.00 10.01 ? 172 ALA A C 1 ATOM 2795 O O . ALA A 1 172 ? 12.650 -11.613 51.948 1.00 10.16 ? 172 ALA A O 1 ATOM 2796 C CB . ALA A 1 172 ? 14.784 -11.085 54.513 1.00 9.64 ? 172 ALA A CB 1 ATOM 2797 H H . ALA A 1 172 ? 15.954 -13.156 54.000 1.00 12.32 ? 172 ALA A H 1 ATOM 2798 H HA . ALA A 1 172 ? 13.420 -12.572 54.136 1.00 11.71 ? 172 ALA A HA 1 ATOM 2799 H HB1 . ALA A 1 172 ? 14.129 -10.384 54.539 1.00 11.56 ? 172 ALA A HB1 1 ATOM 2800 H HB2 . ALA A 1 172 ? 14.972 -11.391 55.404 1.00 11.56 ? 172 ALA A HB2 1 ATOM 2801 H HB3 . ALA A 1 172 ? 15.590 -10.766 54.100 1.00 11.56 ? 172 ALA A HB3 1 ATOM 2802 N N . TYR A 1 173 ? 14.841 -11.598 51.410 1.00 9.62 ? 173 TYR A N 1 ATOM 2803 C CA . TYR A 1 173 ? 14.566 -11.167 50.036 1.00 9.90 ? 173 TYR A CA 1 ATOM 2804 C C . TYR A 1 173 ? 13.630 -12.152 49.338 1.00 11.36 ? 173 TYR A C 1 ATOM 2805 O O . TYR A 1 173 ? 12.697 -11.743 48.631 1.00 12.09 ? 173 TYR A O 1 ATOM 2806 C CB . TYR A 1 173 ? 15.894 -11.042 49.287 1.00 10.18 ? 173 TYR A CB 1 ATOM 2807 C CG . TYR A 1 173 ? 15.776 -10.791 47.791 1.00 9.56 ? 173 TYR A CG 1 ATOM 2808 C CD1 . TYR A 1 173 ? 14.972 -9.770 47.296 1.00 12.24 ? 173 TYR A CD1 1 ATOM 2809 C CD2 . TYR A 1 173 ? 16.469 -11.571 46.895 1.00 13.72 ? 173 TYR A CD2 1 ATOM 2810 C CE1 . TYR A 1 173 ? 14.849 -9.526 45.950 1.00 13.31 ? 173 TYR A CE1 1 ATOM 2811 C CE2 . TYR A 1 173 ? 16.383 -11.297 45.514 1.00 13.94 ? 173 TYR A CE2 1 ATOM 2812 C CZ . TYR A 1 173 ? 15.542 -10.290 45.082 1.00 13.98 ? 173 TYR A CZ 1 ATOM 2813 O OH . TYR A 1 173 ? 15.412 -10.010 43.727 1.00 19.49 ? 173 TYR A OH 1 ATOM 2814 H H . TYR A 1 173 ? 15.675 -11.707 51.588 1.00 11.53 ? 173 TYR A H 1 ATOM 2815 H HA . TYR A 1 173 ? 14.135 -10.287 50.051 1.00 11.87 ? 173 TYR A HA 1 ATOM 2816 H HB2 . TYR A 1 173 ? 16.393 -10.302 49.668 1.00 12.20 ? 173 TYR A HB2 1 ATOM 2817 H HB3 . TYR A 1 173 ? 16.393 -11.865 49.406 1.00 12.20 ? 173 TYR A HB3 1 ATOM 2818 H HD1 . TYR A 1 173 ? 14.488 -9.247 47.895 1.00 14.67 ? 173 TYR A HD1 1 ATOM 2819 H HD2 . TYR A 1 173 ? 17.031 -12.245 47.202 1.00 16.46 ? 173 TYR A HD2 1 ATOM 2820 H HE1 . TYR A 1 173 ? 14.304 -8.839 45.643 1.00 15.96 ? 173 TYR A HE1 1 ATOM 2821 H HE2 . TYR A 1 173 ? 16.840 -11.825 44.900 1.00 16.72 ? 173 TYR A HE2 1 ATOM 2822 H HH . TYR A 1 173 ? 15.114 -10.665 43.332 1.00 23.38 ? 173 TYR A HH 1 ATOM 2823 N N . GLN A 1 174 ? 13.868 -13.439 49.586 1.00 11.23 ? 174 GLN A N 1 ATOM 2824 C CA . GLN A 1 174 ? 13.110 -14.512 48.917 1.00 12.47 ? 174 GLN A CA 1 ATOM 2825 C C . GLN A 1 174 ? 11.744 -14.752 49.527 1.00 16.06 ? 174 GLN A C 1 ATOM 2826 O O . GLN A 1 174 ? 10.986 -15.540 48.979 1.00 21.50 ? 174 GLN A O 1 ATOM 2827 C CB . GLN A 1 174 ? 13.894 -15.806 48.978 1.00 17.12 ? 174 GLN A CB 1 ATOM 2828 C CG . GLN A 1 174 ? 15.068 -15.803 48.016 1.00 20.26 ? 174 GLN A CG 1 ATOM 2829 C CD . GLN A 1 174 ? 16.126 -16.851 48.365 1.00 29.95 ? 174 GLN A CD 1 ATOM 2830 O OE1 . GLN A 1 174 ? 15.880 -17.772 49.147 1.00 32.20 ? 174 GLN A OE1 1 ATOM 2831 N NE2 . GLN A 1 174 ? 17.319 -16.695 47.793 1.00 37.19 ? 174 GLN A NE2 1 ATOM 2832 H H . GLN A 1 174 ? 14.464 -13.724 50.137 1.00 13.47 ? 174 GLN A H 1 ATOM 2833 H HA . GLN A 1 174 ? 12.985 -14.275 47.974 1.00 14.96 ? 174 GLN A HA 1 ATOM 2834 H HB2 . GLN A 1 174 ? 14.239 -15.928 49.876 1.00 20.53 ? 174 GLN A HB2 1 ATOM 2835 H HB3 . GLN A 1 174 ? 13.310 -16.543 48.741 1.00 20.53 ? 174 GLN A HB3 1 ATOM 2836 H HG2 . GLN A 1 174 ? 14.743 -15.992 47.122 1.00 24.30 ? 174 GLN A HG2 1 ATOM 2837 H HG3 . GLN A 1 174 ? 15.491 -14.931 48.038 1.00 24.30 ? 174 GLN A HG3 1 ATOM 2838 H HE21 . GLN A 1 174 ? 17.951 -17.255 47.955 1.00 44.61 ? 174 GLN A HE21 1 ATOM 2839 H HE22 . GLN A 1 174 ? 17.458 -16.033 47.261 1.00 44.61 ? 174 GLN A HE22 1 ATOM 2840 N N . GLY A 1 175 ? 11.423 -14.101 50.638 1.00 12.55 ? 175 GLY A N 1 ATOM 2841 C CA . GLY A 1 175 ? 10.123 -14.234 51.256 1.00 16.29 ? 175 GLY A CA 1 ATOM 2842 C C . GLY A 1 175 ? 10.020 -15.216 52.408 1.00 13.76 ? 175 GLY A C 1 ATOM 2843 O O . GLY A 1 175 ? 8.891 -15.531 52.827 1.00 17.71 ? 175 GLY A O 1 ATOM 2844 H H . GLY A 1 175 ? 11.953 -13.568 51.055 1.00 15.05 ? 175 GLY A H 1 ATOM 2845 H HA2 . GLY A 1 175 ? 9.847 -13.364 51.586 1.00 19.54 ? 175 GLY A HA2 1 ATOM 2846 H HA3 . GLY A 1 175 ? 9.485 -14.508 50.579 1.00 19.54 ? 175 GLY A HA3 1 ATOM 2847 N N . THR A 1 176 ? 11.137 -15.682 52.957 1.00 11.90 ? 176 THR A N 1 ATOM 2848 C CA . THR A 1 176 ? 11.119 -16.469 54.196 1.00 14.71 ? 176 THR A CA 1 ATOM 2849 C C . THR A 1 176 ? 12.046 -15.851 55.264 1.00 13.53 ? 176 THR A C 1 ATOM 2850 O O . THR A 1 176 ? 13.020 -16.463 55.712 1.00 14.36 ? 176 THR A O 1 ATOM 2851 C CB . THR A 1 176 ? 11.534 -17.893 53.921 1.00 19.79 ? 176 THR A CB 1 ATOM 2852 O OG1 . THR A 1 176 ? 12.798 -17.898 53.246 1.00 22.65 ? 176 THR A OG1 1 ATOM 2853 C CG2 . THR A 1 176 ? 10.499 -18.570 53.011 1.00 21.07 ? 176 THR A CG2 1 ATOM 2854 H H . THR A 1 176 ? 11.924 -15.557 52.633 1.00 14.26 ? 176 THR A H 1 ATOM 2855 H HA . THR A 1 176 ? 10.207 -16.481 54.554 1.00 17.64 ? 176 THR A HA 1 ATOM 2856 H HB . THR A 1 176 ? 11.598 -18.389 54.753 1.00 23.74 ? 176 THR A HB 1 ATOM 2857 H HG1 . THR A 1 176 ? 13.032 -18.669 53.093 1.00 27.17 ? 176 THR A HG1 1 ATOM 2858 H HG21 . THR A 1 176 ? 10.761 -19.476 52.835 1.00 25.27 ? 176 THR A HG21 1 ATOM 2859 H HG22 . THR A 1 176 ? 9.639 -18.570 53.437 1.00 25.27 ? 176 THR A HG22 1 ATOM 2860 H HG23 . THR A 1 176 ? 10.435 -18.096 52.179 1.00 25.27 ? 176 THR A HG23 1 ATOM 2861 N N . PRO A 1 177 ? 11.720 -14.624 55.681 1.00 12.64 ? 177 PRO A N 1 ATOM 2862 C CA . PRO A 1 177 ? 12.572 -13.963 56.674 1.00 11.73 ? 177 PRO A CA 1 ATOM 2863 C C . PRO A 1 177 ? 12.552 -14.695 57.996 1.00 11.43 ? 177 PRO A C 1 ATOM 2864 O O . PRO A 1 177 ? 11.546 -15.323 58.382 1.00 15.33 ? 177 PRO A O 1 ATOM 2865 C CB . PRO A 1 177 ? 11.918 -12.590 56.847 1.00 12.32 ? 177 PRO A CB 1 ATOM 2866 C CG . PRO A 1 177 ? 10.480 -12.834 56.469 1.00 15.48 ? 177 PRO A CG 1 ATOM 2867 C CD . PRO A 1 177 ? 10.542 -13.827 55.349 1.00 14.78 ? 177 PRO A CD 1 ATOM 2868 H HA . PRO A 1 177 ? 13.491 -13.864 56.348 1.00 14.07 ? 177 PRO A HA 1 ATOM 2869 H HB2 . PRO A 1 177 ? 11.991 -12.302 57.771 1.00 14.77 ? 177 PRO A HB2 1 ATOM 2870 H HB3 . PRO A 1 177 ? 12.331 -11.948 56.249 1.00 14.77 ? 177 PRO A HB3 1 ATOM 2871 H HG2 . PRO A 1 177 ? 10.000 -13.201 57.227 1.00 18.56 ? 177 PRO A HG2 1 ATOM 2872 H HG3 . PRO A 1 177 ? 10.074 -12.005 56.172 1.00 18.56 ? 177 PRO A HG3 1 ATOM 2873 H HD2 . PRO A 1 177 ? 9.747 -14.383 55.343 1.00 17.72 ? 177 PRO A HD2 1 ATOM 2874 H HD3 . PRO A 1 177 ? 10.667 -13.374 54.500 1.00 17.72 ? 177 PRO A HD3 1 ATOM 2875 N N A LEU A 1 178 ? 13.663 -14.625 58.707 0.51 14.20 ? 178 LEU A N 1 ATOM 2876 N N B LEU A 1 178 ? 13.661 -14.616 58.706 0.49 14.19 ? 178 LEU A N 1 ATOM 2877 C CA A LEU A 1 178 ? 13.710 -15.079 60.088 0.51 13.97 ? 178 LEU A CA 1 ATOM 2878 C CA B LEU A 1 178 ? 13.702 -15.058 60.087 0.49 13.77 ? 178 LEU A CA 1 ATOM 2879 C C A LEU A 1 178 ? 12.873 -14.186 60.977 0.51 12.51 ? 178 LEU A C 1 ATOM 2880 C C B LEU A 1 178 ? 12.818 -14.186 60.953 0.49 13.19 ? 178 LEU A C 1 ATOM 2881 O O A LEU A 1 178 ? 12.729 -13.002 60.721 0.51 14.18 ? 178 LEU A O 1 ATOM 2882 O O B LEU A 1 178 ? 12.578 -13.023 60.649 0.49 14.32 ? 178 LEU A O 1 ATOM 2883 C CB A LEU A 1 178 ? 15.155 -15.065 60.592 0.51 15.68 ? 178 LEU A CB 1 ATOM 2884 C CB B LEU A 1 178 ? 15.137 -14.998 60.613 0.49 14.93 ? 178 LEU A CB 1 ATOM 2885 C CG A LEU A 1 178 ? 16.102 -16.171 60.134 0.51 23.46 ? 178 LEU A CG 1 ATOM 2886 C CG B LEU A 1 178 ? 16.124 -16.066 60.151 0.49 22.85 ? 178 LEU A CG 1 ATOM 2887 C CD1 A LEU A 1 178 ? 16.202 -16.263 58.599 0.51 25.23 ? 178 LEU A CD1 1 ATOM 2888 C CD1 B LEU A 1 178 ? 16.222 -16.164 58.617 0.49 25.41 ? 178 LEU A CD1 1 ATOM 2889 C CD2 A LEU A 1 178 ? 17.466 -15.919 60.760 0.51 29.15 ? 178 LEU A CD2 1 ATOM 2890 C CD2 B LEU A 1 178 ? 17.483 -15.773 60.770 0.49 29.45 ? 178 LEU A CD2 1 ATOM 2891 H H A LEU A 1 178 ? 14.410 -14.316 58.412 0.51 17.03 ? 178 LEU A H 1 ATOM 2892 H H B LEU A 1 178 ? 14.409 -14.310 58.411 0.49 17.01 ? 178 LEU A H 1 ATOM 2893 H HA A LEU A 1 178 ? 13.365 -15.994 60.147 0.51 16.75 ? 178 LEU A HA 1 ATOM 2894 H HA B LEU A 1 178 ? 13.384 -15.984 60.147 0.49 16.51 ? 178 LEU A HA 1 ATOM 2895 H HB2 A LEU A 1 178 ? 15.555 -14.224 60.321 0.51 18.81 ? 178 LEU A HB2 1 ATOM 2896 H HB2 B LEU A 1 178 ? 15.511 -14.140 60.356 0.49 17.90 ? 178 LEU A HB2 1 ATOM 2897 H HB3 A LEU A 1 178 ? 15.130 -15.103 61.561 0.51 18.81 ? 178 LEU A HB3 1 ATOM 2898 H HB3 B LEU A 1 178 ? 15.101 -15.049 61.581 0.49 17.90 ? 178 LEU A HB3 1 ATOM 2899 H HG A LEU A 1 178 ? 15.775 -17.022 60.463 0.51 28.14 ? 178 LEU A HG 1 ATOM 2900 H HG B LEU A 1 178 ? 15.828 -16.928 60.483 0.49 27.41 ? 178 LEU A HG 1 ATOM 2901 H HD11 A LEU A 1 178 ? 16.808 -16.971 58.368 0.51 30.26 ? 178 LEU A HD11 1 ATOM 2902 H HD11 B LEU A 1 178 ? 16.855 -16.849 58.387 0.49 30.48 ? 178 LEU A HD11 1 ATOM 2903 H HD12 A LEU A 1 178 ? 15.331 -16.446 58.240 0.51 30.26 ? 178 LEU A HD12 1 ATOM 2904 H HD12 B LEU A 1 178 ? 15.358 -16.383 58.262 0.49 30.48 ? 178 LEU A HD12 1 ATOM 2905 H HD13 A LEU A 1 178 ? 16.528 -15.427 58.257 0.51 30.26 ? 178 LEU A HD13 1 ATOM 2906 H HD13 B LEU A 1 178 ? 16.514 -15.318 58.268 0.49 30.48 ? 178 LEU A HD13 1 ATOM 2907 H HD21 A LEU A 1 178 ? 18.071 -16.609 60.478 0.51 34.96 ? 178 LEU A HD21 1 ATOM 2908 H HD21 B LEU A 1 178 ? 18.108 -16.442 60.482 0.49 35.33 ? 178 LEU A HD21 1 ATOM 2909 H HD22 A LEU A 1 178 ? 17.789 -15.062 60.471 0.51 34.96 ? 178 LEU A HD22 1 ATOM 2910 H HD22 B LEU A 1 178 ? 17.777 -14.905 60.482 0.49 35.33 ? 178 LEU A HD22 1 ATOM 2911 H HD23 A LEU A 1 178 ? 17.378 -15.931 61.715 0.51 34.96 ? 178 LEU A HD23 1 ATOM 2912 H HD23 B LEU A 1 178 ? 17.401 -15.790 61.726 0.49 35.33 ? 178 LEU A HD23 1 ATOM 2913 N N . PRO A 1 179 ? 12.302 -14.752 62.048 1.00 12.25 ? 179 PRO A N 1 ATOM 2914 C CA . PRO A 1 179 ? 11.615 -13.929 63.016 1.00 9.71 ? 179 PRO A CA 1 ATOM 2915 C C . PRO A 1 179 ? 12.524 -12.799 63.528 1.00 9.81 ? 179 PRO A C 1 ATOM 2916 O O . PRO A 1 179 ? 13.715 -13.002 63.693 1.00 12.03 ? 179 PRO A O 1 ATOM 2917 C CB . PRO A 1 179 ? 11.277 -14.925 64.144 1.00 15.54 ? 179 PRO A CB 1 ATOM 2918 C CG . PRO A 1 179 ? 11.426 -16.264 63.546 1.00 21.60 ? 179 PRO A CG 1 ATOM 2919 C CD . PRO A 1 179 ? 12.518 -16.127 62.518 1.00 19.04 ? 179 PRO A CD 1 ATOM 2920 H HA . PRO A 1 179 ? 10.790 -13.556 62.639 1.00 11.64 ? 179 PRO A HA 1 ATOM 2921 H HB2 . PRO A 1 179 ? 11.900 -14.808 64.878 1.00 18.64 ? 179 PRO A HB2 1 ATOM 2922 H HB3 . PRO A 1 179 ? 10.365 -14.783 64.442 1.00 18.64 ? 179 PRO A HB3 1 ATOM 2923 H HG2 . PRO A 1 179 ? 11.680 -16.901 64.232 1.00 25.91 ? 179 PRO A HG2 1 ATOM 2924 H HG3 . PRO A 1 179 ? 10.592 -16.528 63.126 1.00 25.91 ? 179 PRO A HG3 1 ATOM 2925 H HD2 . PRO A 1 179 ? 13.391 -16.216 62.930 1.00 22.83 ? 179 PRO A HD2 1 ATOM 2926 H HD3 . PRO A 1 179 ? 12.391 -16.761 61.795 1.00 22.83 ? 179 PRO A HD3 1 ATOM 2927 N N . ALA A 1 180 ? 11.921 -11.648 63.796 1.00 10.38 ? 180 ALA A N 1 ATOM 2928 C CA . ALA A 1 180 ? 12.656 -10.432 64.057 1.00 9.07 ? 180 ALA A CA 1 ATOM 2929 C C . ALA A 1 180 ? 12.210 -9.767 65.352 1.00 11.85 ? 180 ALA A C 1 ATOM 2930 O O . ALA A 1 180 ? 11.017 -9.503 65.572 1.00 12.56 ? 180 ALA A O 1 ATOM 2931 C CB . ALA A 1 180 ? 12.444 -9.484 62.909 1.00 10.80 ? 180 ALA A CB 1 ATOM 2932 H H . ALA A 1 180 ? 11.067 -11.550 63.831 1.00 12.45 ? 180 ALA A H 1 ATOM 2933 H HA . ALA A 1 180 ? 13.613 -10.634 64.123 1.00 10.87 ? 180 ALA A HA 1 ATOM 2934 H HB1 . ALA A 1 180 ? 12.930 -8.674 63.079 1.00 12.95 ? 180 ALA A HB1 1 ATOM 2935 H HB2 . ALA A 1 180 ? 12.762 -9.895 62.102 1.00 12.95 ? 180 ALA A HB2 1 ATOM 2936 H HB3 . ALA A 1 180 ? 11.506 -9.293 62.831 1.00 12.95 ? 180 ALA A HB3 1 ATOM 2937 N N . ASN A 1 181 ? 13.182 -9.447 66.202 1.00 8.64 ? 181 ASN A N 1 ATOM 2938 C CA . ASN A 1 181 ? 12.896 -9.051 67.577 1.00 9.76 ? 181 ASN A CA 1 ATOM 2939 C C . ASN A 1 181 ? 12.760 -7.592 67.903 1.00 12.55 ? 181 ASN A C 1 ATOM 2940 O O . ASN A 1 181 ? 12.376 -7.245 69.022 1.00 15.55 ? 181 ASN A O 1 ATOM 2941 C CB . ASN A 1 181 ? 13.864 -9.721 68.564 1.00 10.87 ? 181 ASN A CB 1 ATOM 2942 C CG . ASN A 1 181 ? 15.305 -9.329 68.339 1.00 14.15 ? 181 ASN A CG 1 ATOM 2943 O OD1 . ASN A 1 181 ? 15.600 -8.484 67.507 1.00 12.38 ? 181 ASN A OD1 1 ATOM 2944 N ND2 . ASN A 1 181 ? 16.214 -9.966 69.068 1.00 15.79 ? 181 ASN A ND2 1 ATOM 2945 H H . ASN A 1 181 ? 14.019 -9.453 66.006 1.00 10.36 ? 181 ASN A H 1 ATOM 2946 H HA . ASN A 1 181 ? 12.018 -9.433 67.784 1.00 11.70 ? 181 ASN A HA 1 ATOM 2947 H HB2 . ASN A 1 181 ? 13.622 -9.463 69.467 1.00 13.03 ? 181 ASN A HB2 1 ATOM 2948 H HB3 . ASN A 1 181 ? 13.798 -10.683 68.466 1.00 13.03 ? 181 ASN A HB3 1 ATOM 2949 H HD21 . ASN A 1 181 ? 17.164 -9.751 68.963 1.00 18.93 ? 181 ASN A HD21 1 ATOM 2950 H HD22 . ASN A 1 181 ? 15.934 -10.651 69.711 1.00 18.93 ? 181 ASN A HD22 1 ATOM 2951 N N . ILE A 1 182 ? 12.963 -6.698 66.944 1.00 9.08 ? 182 ILE A N 1 ATOM 2952 C CA . ILE A 1 182 ? 12.631 -5.307 67.159 1.00 8.27 ? 182 ILE A CA 1 ATOM 2953 C C . ILE A 1 182 ? 11.310 -4.921 66.479 1.00 9.18 ? 182 ILE A C 1 ATOM 2954 O O . ILE A 1 182 ? 10.420 -4.369 67.115 1.00 10.98 ? 182 ILE A O 1 ATOM 2955 C CB . ILE A 1 182 ? 13.804 -4.376 66.717 1.00 9.46 ? 182 ILE A CB 1 ATOM 2956 C CG1 . ILE A 1 182 ? 15.087 -4.713 67.489 1.00 11.79 ? 182 ILE A CG1 1 ATOM 2957 C CG2 . ILE A 1 182 ? 13.417 -2.937 66.926 1.00 12.27 ? 182 ILE A CG2 1 ATOM 2958 C CD1 . ILE A 1 182 ? 16.308 -3.956 66.979 1.00 13.26 ? 182 ILE A CD1 1 ATOM 2959 H H . ILE A 1 182 ? 13.289 -6.874 66.167 1.00 10.88 ? 182 ILE A H 1 ATOM 2960 H HA . ILE A 1 182 ? 12.507 -5.173 68.122 1.00 9.92 ? 182 ILE A HA 1 ATOM 2961 H HB . ILE A 1 182 ? 13.968 -4.516 65.772 1.00 11.34 ? 182 ILE A HB 1 ATOM 2962 H HG12 . ILE A 1 182 ? 14.962 -4.483 68.423 1.00 14.13 ? 182 ILE A HG12 1 ATOM 2963 H HG13 . ILE A 1 182 ? 15.266 -5.662 67.402 1.00 14.13 ? 182 ILE A HG13 1 ATOM 2964 H HG21 . ILE A 1 182 ? 14.145 -2.375 66.651 1.00 14.71 ? 182 ILE A HG21 1 ATOM 2965 H HG22 . ILE A 1 182 ? 12.637 -2.744 66.400 1.00 14.71 ? 182 ILE A HG22 1 ATOM 2966 H HG23 . ILE A 1 182 ? 13.228 -2.796 67.856 1.00 14.71 ? 182 ILE A HG23 1 ATOM 2967 H HD11 . ILE A 1 182 ? 17.073 -4.211 67.500 1.00 15.90 ? 182 ILE A HD11 1 ATOM 2968 H HD12 . ILE A 1 182 ? 16.451 -4.180 66.056 1.00 15.90 ? 182 ILE A HD12 1 ATOM 2969 H HD13 . ILE A 1 182 ? 16.150 -3.013 67.066 1.00 15.90 ? 182 ILE A HD13 1 ATOM 2970 N N . LEU A 1 183 ? 11.195 -5.228 65.187 1.00 8.22 ? 183 LEU A N 1 ATOM 2971 C CA . LEU A 1 183 ? 9.946 -5.054 64.449 1.00 8.72 ? 183 LEU A CA 1 ATOM 2972 C C . LEU A 1 183 ? 9.758 -6.263 63.552 1.00 8.24 ? 183 LEU A C 1 ATOM 2973 O O . LEU A 1 183 ? 10.691 -6.751 62.959 1.00 8.10 ? 183 LEU A O 1 ATOM 2974 C CB . LEU A 1 183 ? 10.000 -3.806 63.554 1.00 9.40 ? 183 LEU A CB 1 ATOM 2975 C CG . LEU A 1 183 ? 10.119 -2.485 64.278 1.00 10.85 ? 183 LEU A CG 1 ATOM 2976 C CD1 . LEU A 1 183 ? 10.463 -1.397 63.290 1.00 11.85 ? 183 LEU A CD1 1 ATOM 2977 C CD2 . LEU A 1 183 ? 8.849 -2.155 65.071 1.00 12.26 ? 183 LEU A CD2 1 ATOM 2978 H H . LEU A 1 183 ? 11.837 -5.543 64.709 1.00 9.85 ? 183 LEU A H 1 ATOM 2979 H HA . LEU A 1 183 ? 9.188 -4.983 65.067 1.00 10.46 ? 183 LEU A HA 1 ATOM 2980 H HB2 . LEU A 1 183 ? 10.767 -3.885 62.966 1.00 11.27 ? 183 LEU A HB2 1 ATOM 2981 H HB3 . LEU A 1 183 ? 9.188 -3.775 63.024 1.00 11.27 ? 183 LEU A HB3 1 ATOM 2982 H HG . LEU A 1 183 ? 10.851 -2.546 64.911 1.00 13.01 ? 183 LEU A HG 1 ATOM 2983 H HD11 . LEU A 1 183 ? 10.536 -0.562 63.759 1.00 14.20 ? 183 LEU A HD11 1 ATOM 2984 H HD12 . LEU A 1 183 ? 11.298 -1.611 62.869 1.00 14.20 ? 183 LEU A HD12 1 ATOM 2985 H HD13 . LEU A 1 183 ? 9.767 -1.343 62.631 1.00 14.20 ? 183 LEU A HD13 1 ATOM 2986 H HD21 . LEU A 1 183 ? 8.968 -1.311 65.512 1.00 14.70 ? 183 LEU A HD21 1 ATOM 2987 H HD22 . LEU A 1 183 ? 8.107 -2.106 64.464 1.00 14.70 ? 183 LEU A HD22 1 ATOM 2988 H HD23 . LEU A 1 183 ? 8.698 -2.846 65.719 1.00 14.70 ? 183 LEU A HD23 1 ATOM 2989 N N . ASP A 1 184 ? 8.528 -6.777 63.457 1.00 8.73 ? 184 ASP A N 1 ATOM 2990 C CA . ASP A 1 184 ? 8.259 -7.993 62.675 1.00 8.35 ? 184 ASP A CA 1 ATOM 2991 C C . ASP A 1 184 ? 6.902 -7.839 61.989 1.00 10.25 ? 184 ASP A C 1 ATOM 2992 O O . ASP A 1 184 ? 5.840 -7.683 62.628 1.00 9.10 ? 184 ASP A O 1 ATOM 2993 C CB . ASP A 1 184 ? 8.270 -9.210 63.632 1.00 11.75 ? 184 ASP A CB 1 ATOM 2994 C CG . ASP A 1 184 ? 8.234 -10.526 62.929 1.00 16.02 ? 184 ASP A CG 1 ATOM 2995 O OD1 . ASP A 1 184 ? 7.484 -10.700 61.951 1.00 12.98 ? 184 ASP A OD1 1 ATOM 2996 O OD2 . ASP A 1 184 ? 8.953 -11.480 63.352 1.00 16.57 ? 184 ASP A OD2 1 ATOM 2997 H H . ASP A 1 184 ? 7.831 -6.443 63.835 1.00 10.47 ? 184 ASP A H 1 ATOM 2998 H HA . ASP A 1 184 ? 8.952 -8.115 61.992 1.00 10.01 ? 184 ASP A HA 1 ATOM 2999 H HB2 . ASP A 1 184 ? 9.079 -9.181 64.166 1.00 14.08 ? 184 ASP A HB2 1 ATOM 3000 H HB3 . ASP A 1 184 ? 7.492 -9.161 64.209 1.00 14.08 ? 184 ASP A HB3 1 ATOM 3001 N N . TRP A 1 185 ? 6.961 -7.853 60.661 1.00 8.90 ? 185 TRP A N 1 ATOM 3002 C CA . TRP A 1 185 ? 5.778 -7.673 59.824 1.00 8.11 ? 185 TRP A CA 1 ATOM 3003 C C . TRP A 1 185 ? 4.676 -8.674 60.120 1.00 9.65 ? 185 TRP A C 1 ATOM 3004 O O . TRP A 1 185 ? 3.507 -8.386 59.846 1.00 9.56 ? 185 TRP A O 1 ATOM 3005 C CB . TRP A 1 185 ? 6.207 -7.812 58.360 1.00 8.52 ? 185 TRP A CB 1 ATOM 3006 C CG . TRP A 1 185 ? 5.265 -7.181 57.355 1.00 9.71 ? 185 TRP A CG 1 ATOM 3007 C CD1 . TRP A 1 185 ? 4.528 -7.830 56.392 1.00 9.94 ? 185 TRP A CD1 1 ATOM 3008 C CD2 . TRP A 1 185 ? 4.980 -5.792 57.216 1.00 9.76 ? 185 TRP A CD2 1 ATOM 3009 N NE1 . TRP A 1 185 ? 3.804 -6.902 55.661 1.00 9.62 ? 185 TRP A NE1 1 ATOM 3010 C CE2 . TRP A 1 185 ? 4.062 -5.653 56.148 1.00 8.32 ? 185 TRP A CE2 1 ATOM 3011 C CE3 . TRP A 1 185 ? 5.422 -4.646 57.868 1.00 11.07 ? 185 TRP A CE3 1 ATOM 3012 C CZ2 . TRP A 1 185 ? 3.567 -4.396 55.749 1.00 10.39 ? 185 TRP A CZ2 1 ATOM 3013 C CZ3 . TRP A 1 185 ? 4.930 -3.401 57.453 1.00 9.71 ? 185 TRP A CZ3 1 ATOM 3014 C CH2 . TRP A 1 185 ? 4.006 -3.303 56.410 1.00 10.91 ? 185 TRP A CH2 1 ATOM 3015 H H . TRP A 1 185 ? 7.686 -7.967 60.213 1.00 10.67 ? 185 TRP A H 1 ATOM 3016 H HA . TRP A 1 185 ? 5.420 -6.771 59.957 1.00 9.72 ? 185 TRP A HA 1 ATOM 3017 H HB2 . TRP A 1 185 ? 7.075 -7.392 58.252 1.00 10.21 ? 185 TRP A HB2 1 ATOM 3018 H HB3 . TRP A 1 185 ? 6.274 -8.756 58.147 1.00 10.21 ? 185 TRP A HB3 1 ATOM 3019 H HD1 . TRP A 1 185 ? 4.515 -8.750 56.256 1.00 11.92 ? 185 TRP A HD1 1 ATOM 3020 H HE1 . TRP A 1 185 ? 3.263 -7.086 55.019 1.00 11.53 ? 185 TRP A HE1 1 ATOM 3021 H HE3 . TRP A 1 185 ? 6.027 -4.705 58.573 1.00 13.28 ? 185 TRP A HE3 1 ATOM 3022 H HZ2 . TRP A 1 185 ? 2.964 -4.320 55.045 1.00 12.46 ? 185 TRP A HZ2 1 ATOM 3023 H HZ3 . TRP A 1 185 ? 5.205 -2.630 57.895 1.00 11.65 ? 185 TRP A HZ3 1 ATOM 3024 H HH2 . TRP A 1 185 ? 3.697 -2.464 56.155 1.00 13.09 ? 185 TRP A HH2 1 ATOM 3025 N N . GLN A 1 186 ? 5.048 -9.818 60.687 1.00 9.23 ? 186 GLN A N 1 ATOM 3026 C CA . GLN A 1 186 ? 4.072 -10.891 60.954 1.00 10.16 ? 186 GLN A CA 1 ATOM 3027 C C . GLN A 1 186 ? 3.514 -10.788 62.358 1.00 12.79 ? 186 GLN A C 1 ATOM 3028 O O . GLN A 1 186 ? 2.678 -11.603 62.758 1.00 13.12 ? 186 GLN A O 1 ATOM 3029 C CB . GLN A 1 186 ? 4.709 -12.249 60.713 1.00 9.46 ? 186 GLN A CB 1 ATOM 3030 C CG . GLN A 1 186 ? 5.123 -12.455 59.249 1.00 10.70 ? 186 GLN A CG 1 ATOM 3031 C CD . GLN A 1 186 ? 5.912 -13.722 59.017 1.00 12.84 ? 186 GLN A CD 1 ATOM 3032 O OE1 . GLN A 1 186 ? 7.016 -13.731 58.453 1.00 16.99 ? 186 GLN A OE1 1 ATOM 3033 N NE2 . GLN A 1 186 ? 5.339 -14.827 59.434 1.00 11.93 ? 186 GLN A NE2 1 ATOM 3034 H H . GLN A 1 186 ? 5.853 -10.003 60.927 1.00 11.06 ? 186 GLN A H 1 ATOM 3035 H HA . GLN A 1 186 ? 3.324 -10.798 60.328 1.00 12.18 ? 186 GLN A HA 1 ATOM 3036 H HB2 . GLN A 1 186 ? 5.504 -12.329 61.264 1.00 11.34 ? 186 GLN A HB2 1 ATOM 3037 H HB3 . GLN A 1 186 ? 4.073 -12.943 60.946 1.00 11.34 ? 186 GLN A HB3 1 ATOM 3038 H HG2 . GLN A 1 186 ? 4.324 -12.497 58.701 1.00 12.83 ? 186 GLN A HG2 1 ATOM 3039 H HG3 . GLN A 1 186 ? 5.674 -11.707 58.971 1.00 12.83 ? 186 GLN A HG3 1 ATOM 3040 H HE21 . GLN A 1 186 ? 5.737 -15.582 59.331 1.00 14.30 ? 186 GLN A HE21 1 ATOM 3041 H HE22 . GLN A 1 186 ? 4.566 -14.795 59.810 1.00 14.30 ? 186 GLN A HE22 1 ATOM 3042 N N . ALA A 1 187 ? 3.944 -9.794 63.104 1.00 12.16 ? 187 ALA A N 1 ATOM 3043 C CA . ALA A 1 187 ? 3.448 -9.531 64.450 1.00 11.42 ? 187 ALA A CA 1 ATOM 3044 C C . ALA A 1 187 ? 3.740 -8.077 64.819 1.00 10.70 ? 187 ALA A C 1 ATOM 3045 O O . ALA A 1 187 ? 4.518 -7.773 65.736 1.00 11.95 ? 187 ALA A O 1 ATOM 3046 C CB . ALA A 1 187 ? 4.052 -10.500 65.440 1.00 13.22 ? 187 ALA A CB 1 ATOM 3047 H H . ALA A 1 187 ? 4.544 -9.234 62.849 1.00 14.58 ? 187 ALA A H 1 ATOM 3048 H HA . ALA A 1 187 ? 2.476 -9.655 64.461 1.00 13.70 ? 187 ALA A HA 1 ATOM 3049 H HB1 . ALA A 1 187 ? 3.710 -10.305 66.316 1.00 15.85 ? 187 ALA A HB1 1 ATOM 3050 H HB2 . ALA A 1 187 ? 3.813 -11.394 65.187 1.00 15.85 ? 187 ALA A HB2 1 ATOM 3051 H HB3 . ALA A 1 187 ? 5.007 -10.400 65.432 1.00 15.85 ? 187 ALA A HB3 1 ATOM 3052 N N . LEU A 1 188 ? 3.106 -7.201 64.048 1.00 10.91 ? 188 LEU A N 1 ATOM 3053 C CA . LEU A 1 188 ? 3.382 -5.772 64.064 1.00 9.05 ? 188 LEU A CA 1 ATOM 3054 C C . LEU A 1 188 ? 2.369 -4.964 64.872 1.00 11.41 ? 188 LEU A C 1 ATOM 3055 O O . LEU A 1 188 ? 1.145 -5.149 64.722 1.00 13.06 ? 188 LEU A O 1 ATOM 3056 C CB . LEU A 1 188 ? 3.422 -5.237 62.629 1.00 11.26 ? 188 LEU A CB 1 ATOM 3057 C CG . LEU A 1 188 ? 4.109 -3.890 62.429 1.00 12.40 ? 188 LEU A CG 1 ATOM 3058 C CD1 . LEU A 1 188 ? 5.626 -4.018 62.576 1.00 14.56 ? 188 LEU A CD1 1 ATOM 3059 C CD2 . LEU A 1 188 ? 3.785 -3.335 61.032 1.00 11.83 ? 188 LEU A CD2 1 ATOM 3060 H H . LEU A 1 188 ? 2.490 -7.420 63.489 1.00 13.07 ? 188 LEU A H 1 ATOM 3061 H HA . LEU A 1 188 ? 4.266 -5.627 64.462 1.00 10.85 ? 188 LEU A HA 1 ATOM 3062 H HB2 . LEU A 1 188 ? 3.888 -5.884 62.076 1.00 13.50 ? 188 LEU A HB2 1 ATOM 3063 H HB3 . LEU A 1 188 ? 2.509 -5.145 62.314 1.00 13.50 ? 188 LEU A HB3 1 ATOM 3064 H HG . LEU A 1 188 ? 3.787 -3.261 63.093 1.00 14.87 ? 188 LEU A HG 1 ATOM 3065 H HD11 . LEU A 1 188 ? 6.026 -3.156 62.445 1.00 17.46 ? 188 LEU A HD11 1 ATOM 3066 H HD12 . LEU A 1 188 ? 5.828 -4.343 63.457 1.00 17.46 ? 188 LEU A HD12 1 ATOM 3067 H HD13 . LEU A 1 188 ? 5.953 -4.635 61.917 1.00 17.46 ? 188 LEU A HD13 1 ATOM 3068 H HD21 . LEU A 1 188 ? 4.224 -2.488 60.923 1.00 14.18 ? 188 LEU A HD21 1 ATOM 3069 H HD22 . LEU A 1 188 ? 4.098 -3.955 60.369 1.00 14.18 ? 188 LEU A HD22 1 ATOM 3070 H HD23 . LEU A 1 188 ? 2.835 -3.223 60.953 1.00 14.18 ? 188 LEU A HD23 1 ATOM 3071 N N . ASN A 1 189 ? 2.882 -4.020 65.650 1.00 11.64 ? 189 ASN A N 1 ATOM 3072 C CA . ASN A 1 189 ? 2.099 -3.031 66.365 1.00 12.26 ? 189 ASN A CA 1 ATOM 3073 C C . ASN A 1 189 ? 2.372 -1.708 65.710 1.00 14.11 ? 189 ASN A C 1 ATOM 3074 O O . ASN A 1 189 ? 3.523 -1.246 65.635 1.00 14.88 ? 189 ASN A O 1 ATOM 3075 C CB . ASN A 1 189 ? 2.468 -3.038 67.851 1.00 13.62 ? 189 ASN A CB 1 ATOM 3076 C CG . ASN A 1 189 ? 1.916 -4.258 68.555 1.00 21.86 ? 189 ASN A CG 1 ATOM 3077 O OD1 . ASN A 1 189 ? 0.722 -4.552 68.457 1.00 28.25 ? 189 ASN A OD1 1 ATOM 3078 N ND2 . ASN A 1 189 ? 2.784 -5.003 69.223 1.00 31.65 ? 189 ASN A ND2 1 ATOM 3079 H H . ASN A 1 189 ? 3.727 -3.933 65.783 1.00 13.96 ? 189 ASN A H 1 ATOM 3080 H HA . ASN A 1 189 ? 1.145 -3.236 66.276 1.00 14.70 ? 189 ASN A HA 1 ATOM 3081 H HB2 . ASN A 1 189 ? 3.434 -3.046 67.941 1.00 16.33 ? 189 ASN A HB2 1 ATOM 3082 H HB3 . ASN A 1 189 ? 2.098 -2.248 68.276 1.00 16.33 ? 189 ASN A HB3 1 ATOM 3083 H HD21 . ASN A 1 189 ? 2.478 -5.805 69.697 1.00 37.97 ? 189 ASN A HD21 1 ATOM 3084 H HD22 . ASN A 1 189 ? 3.731 -4.753 69.244 1.00 37.97 ? 189 ASN A HD22 1 ATOM 3085 N N . TYR A 1 190 ? 1.316 -1.128 65.176 1.00 12.72 ? 190 TYR A N 1 ATOM 3086 C CA . TYR A 1 190 ? 1.419 0.085 64.395 1.00 13.90 ? 190 TYR A CA 1 ATOM 3087 C C . TYR A 1 190 ? 0.237 1.022 64.613 1.00 14.66 ? 190 TYR A C 1 ATOM 3088 O O . TYR A 1 190 ? -0.791 0.601 65.147 1.00 14.49 ? 190 TYR A O 1 ATOM 3089 C CB . TYR A 1 190 ? 1.555 -0.269 62.889 1.00 11.92 ? 190 TYR A CB 1 ATOM 3090 C CG . TYR A 1 190 ? 0.334 -0.921 62.337 1.00 11.27 ? 190 TYR A CG 1 ATOM 3091 C CD1 . TYR A 1 190 ? 0.184 -2.297 62.373 1.00 12.98 ? 190 TYR A CD1 1 ATOM 3092 C CD2 . TYR A 1 190 ? -0.715 -0.158 61.820 1.00 12.29 ? 190 TYR A CD2 1 ATOM 3093 C CE1 . TYR A 1 190 ? -0.968 -2.909 61.902 1.00 16.50 ? 190 TYR A CE1 1 ATOM 3094 C CE2 . TYR A 1 190 ? -1.878 -0.778 61.353 1.00 15.08 ? 190 TYR A CE2 1 ATOM 3095 C CZ . TYR A 1 190 ? -1.985 -2.146 61.385 1.00 15.62 ? 190 TYR A CZ 1 ATOM 3096 O OH . TYR A 1 190 ? -3.173 -2.718 60.936 1.00 20.40 ? 190 TYR A OH 1 ATOM 3097 H H . TYR A 1 190 ? 0.512 -1.424 65.254 1.00 15.25 ? 190 TYR A H 1 ATOM 3098 H HA . TYR A 1 190 ? 2.231 0.564 64.663 1.00 16.67 ? 190 TYR A HA 1 ATOM 3099 H HB2 . TYR A 1 190 ? 1.713 0.545 62.386 1.00 14.30 ? 190 TYR A HB2 1 ATOM 3100 H HB3 . TYR A 1 190 ? 2.299 -0.881 62.775 1.00 14.30 ? 190 TYR A HB3 1 ATOM 3101 H HD1 . TYR A 1 190 ? 0.868 -2.821 62.723 1.00 15.56 ? 190 TYR A HD1 1 ATOM 3102 H HD2 . TYR A 1 190 ? -0.646 0.769 61.801 1.00 14.74 ? 190 TYR A HD2 1 ATOM 3103 H HE1 . TYR A 1 190 ? -1.050 -3.835 61.934 1.00 19.79 ? 190 TYR A HE1 1 ATOM 3104 H HE2 . TYR A 1 190 ? -2.573 -0.265 61.009 1.00 18.09 ? 190 TYR A HE2 1 ATOM 3105 H HH . TYR A 1 190 ? -3.283 -2.549 60.141 1.00 24.47 ? 190 TYR A HH 1 ATOM 3106 N N . GLU A 1 191 ? 0.399 2.284 64.213 1.00 13.17 ? 191 GLU A N 1 ATOM 3107 C CA . GLU A 1 191 ? -0.658 3.291 64.264 1.00 11.53 ? 191 GLU A CA 1 ATOM 3108 C C . GLU A 1 191 ? -0.677 4.014 62.937 1.00 13.35 ? 191 GLU A C 1 ATOM 3109 O O . GLU A 1 191 ? 0.298 4.664 62.552 1.00 14.84 ? 191 GLU A O 1 ATOM 3110 C CB . GLU A 1 191 ? -0.400 4.297 65.374 1.00 15.88 ? 191 GLU A CB 1 ATOM 3111 C CG . GLU A 1 191 ? -0.371 3.692 66.750 1.00 19.79 ? 191 GLU A CG 1 ATOM 3112 C CD . GLU A 1 191 ? 0.119 4.662 67.812 1.00 28.98 ? 191 GLU A CD 1 ATOM 3113 O OE1 . GLU A 1 191 ? 0.731 5.695 67.460 1.00 24.00 ? 191 GLU A OE1 1 ATOM 3114 O OE2 . GLU A 1 191 ? -0.106 4.378 69.013 1.00 31.47 ? 191 GLU A OE2 1 ATOM 3115 H H . GLU A 1 191 ? 1.139 2.589 63.898 1.00 15.80 ? 191 GLU A H 1 ATOM 3116 H HA . GLU A 1 191 ? -1.527 2.863 64.411 1.00 13.82 ? 191 GLU A HA 1 ATOM 3117 H HB2 . GLU A 1 191 ? 0.459 4.720 65.218 1.00 19.05 ? 191 GLU A HB2 1 ATOM 3118 H HB3 . GLU A 1 191 ? -1.103 4.965 65.359 1.00 19.05 ? 191 GLU A HB3 1 ATOM 3119 H HG2 . GLU A 1 191 ? -1.268 3.412 66.991 1.00 23.74 ? 191 GLU A HG2 1 ATOM 3120 H HG3 . GLU A 1 191 ? 0.225 2.926 66.746 1.00 23.74 ? 191 GLU A HG3 1 ATOM 3121 N N . ILE A 1 192 ? -1.787 3.923 62.220 1.00 13.08 ? 192 ILE A N 1 ATOM 3122 C CA . ILE A 1 192 ? -1.980 4.718 61.011 1.00 12.68 ? 192 ILE A CA 1 ATOM 3123 C C . ILE A 1 192 ? -2.410 6.126 61.388 1.00 12.60 ? 192 ILE A C 1 ATOM 3124 O O . ILE A 1 192 ? -3.319 6.302 62.227 1.00 15.19 ? 192 ILE A O 1 ATOM 3125 C CB . ILE A 1 192 ? -3.008 4.064 60.079 1.00 12.85 ? 192 ILE A CB 1 ATOM 3126 C CG1 . ILE A 1 192 ? -2.332 2.892 59.367 1.00 15.22 ? 192 ILE A CG1 1 ATOM 3127 C CG2 . ILE A 1 192 ? -3.509 5.046 59.033 1.00 14.05 ? 192 ILE A CG2 1 ATOM 3128 C CD1 . ILE A 1 192 ? -3.277 2.018 58.635 1.00 17.33 ? 192 ILE A CD1 1 ATOM 3129 H H . ILE A 1 192 ? -2.448 3.408 62.411 1.00 15.68 ? 192 ILE A H 1 ATOM 3130 H HA . ILE A 1 192 ? -1.129 4.779 60.529 1.00 15.21 ? 192 ILE A HA 1 ATOM 3131 H HB . ILE A 1 192 ? -3.757 3.737 60.601 1.00 15.40 ? 192 ILE A HB 1 ATOM 3132 H HG12 . ILE A 1 192 ? -1.692 3.241 58.727 1.00 18.25 ? 192 ILE A HG12 1 ATOM 3133 H HG13 . ILE A 1 192 ? -1.874 2.348 60.027 1.00 18.25 ? 192 ILE A HG13 1 ATOM 3134 H HG21 . ILE A 1 192 ? -4.148 4.603 58.470 1.00 16.84 ? 192 ILE A HG21 1 ATOM 3135 H HG22 . ILE A 1 192 ? -3.923 5.790 59.477 1.00 16.84 ? 192 ILE A HG22 1 ATOM 3136 H HG23 . ILE A 1 192 ? -2.765 5.350 58.508 1.00 16.84 ? 192 ILE A HG23 1 ATOM 3137 H HD11 . ILE A 1 192 ? -2.784 1.308 58.216 1.00 20.78 ? 192 ILE A HD11 1 ATOM 3138 H HD12 . ILE A 1 192 ? -3.911 1.654 59.257 1.00 20.78 ? 192 ILE A HD12 1 ATOM 3139 H HD13 . ILE A 1 192 ? -3.732 2.539 57.969 1.00 20.78 ? 192 ILE A HD13 1 ATOM 3140 N N . ARG A 1 193 ? -1.805 7.129 60.766 1.00 13.35 ? 193 ARG A N 1 ATOM 3141 C CA . ARG A 1 193 ? -2.209 8.511 60.951 1.00 14.48 ? 193 ARG A CA 1 ATOM 3142 C C . ARG A 1 193 ? -2.414 9.163 59.596 1.00 15.15 ? 193 ARG A C 1 ATOM 3143 O O . ARG A 1 193 ? -1.508 9.168 58.761 1.00 18.43 ? 193 ARG A O 1 ATOM 3144 C CB . ARG A 1 193 ? -1.168 9.275 61.762 1.00 16.26 ? 193 ARG A CB 1 ATOM 3145 C CG . ARG A 1 193 ? -0.985 8.766 63.217 1.00 17.31 ? 193 ARG A CG 1 ATOM 3146 C CD . ARG A 1 193 ? -2.206 9.089 64.111 1.00 22.67 ? 193 ARG A CD 1 ATOM 3147 N NE . ARG A 1 193 ? -2.084 8.533 65.467 1.00 23.69 ? 193 ARG A NE 1 ATOM 3148 C CZ . ARG A 1 193 ? -2.651 7.398 65.882 1.00 27.77 ? 193 ARG A CZ 1 ATOM 3149 N NH1 . ARG A 1 193 ? -3.384 6.651 65.056 1.00 26.16 ? 193 ARG A NH1 1 ATOM 3150 N NH2 . ARG A 1 193 ? -2.485 6.990 67.141 1.00 28.89 ? 193 ARG A NH2 1 ATOM 3151 H H . ARG A 1 193 ? -1.146 7.031 60.222 1.00 16.01 ? 193 ARG A H 1 ATOM 3152 H HA . ARG A 1 193 ? -3.059 8.538 61.438 1.00 17.36 ? 193 ARG A HA 1 ATOM 3153 H HB2 . ARG A 1 193 ? -0.311 9.201 61.314 1.00 19.49 ? 193 ARG A HB2 1 ATOM 3154 H HB3 . ARG A 1 193 ? -1.433 10.207 61.807 1.00 19.49 ? 193 ARG A HB3 1 ATOM 3155 H HG2 . ARG A 1 193 ? -0.866 7.804 63.204 1.00 20.76 ? 193 ARG A HG2 1 ATOM 3156 H HG3 . ARG A 1 193 ? -0.205 9.193 63.607 1.00 20.76 ? 193 ARG A HG3 1 ATOM 3157 H HD2 . ARG A 1 193 ? -2.295 10.052 64.188 1.00 27.20 ? 193 ARG A HD2 1 ATOM 3158 H HD3 . ARG A 1 193 ? -3.003 8.713 63.704 1.00 27.20 ? 193 ARG A HD3 1 ATOM 3159 H HE . ARG A 1 193 ? -1.552 9.029 66.108 1.00 28.41 ? 193 ARG A HE 1 ATOM 3160 H HH11 . ARG A 1 193 ? -3.503 6.902 64.241 1.00 31.38 ? 193 ARG A HH11 1 ATOM 3161 H HH12 . ARG A 1 193 ? -3.740 5.921 65.338 1.00 31.38 ? 193 ARG A HH12 1 ATOM 3162 H HH21 . ARG A 1 193 ? -2.012 7.458 67.686 1.00 34.65 ? 193 ARG A HH21 1 ATOM 3163 H HH22 . ARG A 1 193 ? -2.845 6.255 67.406 1.00 34.65 ? 193 ARG A HH22 1 ATOM 3164 N N . GLY A 1 194 ? -3.610 9.668 59.332 1.00 13.84 ? 194 GLY A N 1 ATOM 3165 C CA . GLY A 1 194 ? -3.860 10.274 58.048 1.00 15.13 ? 194 GLY A CA 1 ATOM 3166 C C . GLY A 1 194 ? -4.207 9.216 57.001 1.00 11.94 ? 194 GLY A C 1 ATOM 3167 O O . GLY A 1 194 ? -4.773 8.160 57.296 1.00 15.44 ? 194 GLY A O 1 ATOM 3168 H H . GLY A 1 194 ? -4.279 9.671 59.872 1.00 16.60 ? 194 GLY A H 1 ATOM 3169 H HA2 . GLY A 1 194 ? -4.599 10.898 58.118 1.00 18.14 ? 194 GLY A HA2 1 ATOM 3170 H HA3 . GLY A 1 194 ? -3.071 10.757 57.754 1.00 18.14 ? 194 GLY A HA3 1 ATOM 3171 N N . TYR A 1 195 ? -3.854 9.523 55.768 1.00 10.78 ? 195 TYR A N 1 ATOM 3172 C CA . TYR A 1 195 ? -4.276 8.723 54.625 1.00 10.39 ? 195 TYR A CA 1 ATOM 3173 C C . TYR A 1 195 ? -3.206 7.676 54.304 1.00 10.36 ? 195 TYR A C 1 ATOM 3174 O O . TYR A 1 195 ? -2.298 7.933 53.530 1.00 11.40 ? 195 TYR A O 1 ATOM 3175 C CB . TYR A 1 195 ? -4.502 9.625 53.431 1.00 12.23 ? 195 TYR A CB 1 ATOM 3176 C CG . TYR A 1 195 ? -5.165 9.008 52.217 1.00 11.97 ? 195 TYR A CG 1 ATOM 3177 C CD1 . TYR A 1 195 ? -6.124 7.995 52.330 1.00 12.52 ? 195 TYR A CD1 1 ATOM 3178 C CD2 . TYR A 1 195 ? -4.845 9.468 50.938 1.00 10.73 ? 195 TYR A CD2 1 ATOM 3179 C CE1 . TYR A 1 195 ? -6.717 7.450 51.210 1.00 10.16 ? 195 TYR A CE1 1 ATOM 3180 C CE2 . TYR A 1 195 ? -5.449 8.946 49.823 1.00 12.57 ? 195 TYR A CE2 1 ATOM 3181 C CZ . TYR A 1 195 ? -6.381 7.928 49.946 1.00 9.40 ? 195 TYR A CZ 1 ATOM 3182 O OH . TYR A 1 195 ? -6.995 7.399 48.840 1.00 11.67 ? 195 TYR A OH 1 ATOM 3183 H H . TYR A 1 195 ? -3.364 10.198 55.559 1.00 12.92 ? 195 TYR A H 1 ATOM 3184 H HA . TYR A 1 195 ? -5.115 8.262 54.834 1.00 12.45 ? 195 TYR A HA 1 ATOM 3185 H HB2 . TYR A 1 195 ? -5.059 10.367 53.715 1.00 14.67 ? 195 TYR A HB2 1 ATOM 3186 H HB3 . TYR A 1 195 ? -3.640 9.965 53.144 1.00 14.67 ? 195 TYR A HB3 1 ATOM 3187 H HD1 . TYR A 1 195 ? -6.349 7.670 53.172 1.00 15.01 ? 195 TYR A HD1 1 ATOM 3188 H HD2 . TYR A 1 195 ? -4.221 10.151 50.841 1.00 12.87 ? 195 TYR A HD2 1 ATOM 3189 H HE1 . TYR A 1 195 ? -7.352 6.777 51.300 1.00 12.18 ? 195 TYR A HE1 1 ATOM 3190 H HE2 . TYR A 1 195 ? -5.219 9.263 48.980 1.00 15.07 ? 195 TYR A HE2 1 ATOM 3191 H HH . TYR A 1 195 ? -7.805 7.515 48.887 1.00 13.99 ? 195 TYR A HH 1 ATOM 3192 N N . VAL A 1 196 ? -3.376 6.505 54.913 1.00 11.49 ? 196 VAL A N 1 ATOM 3193 C CA . VAL A 1 196 ? -2.533 5.324 54.678 1.00 10.72 ? 196 VAL A CA 1 ATOM 3194 C C . VAL A 1 196 ? -3.533 4.180 54.644 1.00 12.72 ? 196 VAL A C 1 ATOM 3195 O O . VAL A 1 196 ? -4.394 4.055 55.548 1.00 13.60 ? 196 VAL A O 1 ATOM 3196 C CB . VAL A 1 196 ? -1.489 5.071 55.760 1.00 10.97 ? 196 VAL A CB 1 ATOM 3197 C CG1 . VAL A 1 196 ? -0.547 3.943 55.312 1.00 12.13 ? 196 VAL A CG1 1 ATOM 3198 C CG2 . VAL A 1 196 ? -0.671 6.310 56.062 1.00 13.25 ? 196 VAL A CG2 1 ATOM 3199 H H . VAL A 1 196 ? -3.997 6.361 55.490 1.00 13.78 ? 196 VAL A H 1 ATOM 3200 H HA . VAL A 1 196 ? -2.088 5.392 53.807 1.00 12.86 ? 196 VAL A HA 1 ATOM 3201 H HB . VAL A 1 196 ? -1.937 4.789 56.585 1.00 13.15 ? 196 VAL A HB 1 ATOM 3202 H HG11 . VAL A 1 196 ? 0.106 3.791 55.999 1.00 14.55 ? 196 VAL A HG11 1 ATOM 3203 H HG12 . VAL A 1 196 ? -1.062 3.146 55.167 1.00 14.55 ? 196 VAL A HG12 1 ATOM 3204 H HG13 . VAL A 1 196 ? -0.111 4.206 54.498 1.00 14.55 ? 196 VAL A HG13 1 ATOM 3205 H HG21 . VAL A 1 196 ? -0.030 6.101 56.746 1.00 15.89 ? 196 VAL A HG21 1 ATOM 3206 H HG22 . VAL A 1 196 ? -0.218 6.587 55.262 1.00 15.89 ? 196 VAL A HG22 1 ATOM 3207 H HG23 . VAL A 1 196 ? -1.258 7.006 56.364 1.00 15.89 ? 196 VAL A HG23 1 ATOM 3208 N N . ILE A 1 197 ? -3.459 3.361 53.599 1.00 9.93 ? 197 ILE A N 1 ATOM 3209 C CA . ILE A 1 197 ? -4.387 2.272 53.367 1.00 9.37 ? 197 ILE A CA 1 ATOM 3210 C C . ILE A 1 197 ? -3.628 0.955 53.320 1.00 10.25 ? 197 ILE A C 1 ATOM 3211 O O . ILE A 1 197 ? -2.595 0.847 52.665 1.00 11.45 ? 197 ILE A O 1 ATOM 3212 C CB . ILE A 1 197 ? -5.103 2.460 51.992 1.00 12.20 ? 197 ILE A CB 1 ATOM 3213 C CG1 . ILE A 1 197 ? -5.825 3.804 51.932 1.00 11.30 ? 197 ILE A CG1 1 ATOM 3214 C CG2 . ILE A 1 197 ? -6.078 1.309 51.699 1.00 12.73 ? 197 ILE A CG2 1 ATOM 3215 C CD1 . ILE A 1 197 ? -6.936 3.970 52.977 1.00 11.33 ? 197 ILE A CD1 1 ATOM 3216 H H . ILE A 1 197 ? -2.854 3.423 52.991 1.00 11.91 ? 197 ILE A H 1 ATOM 3217 H HA . ILE A 1 197 ? -5.058 2.236 54.081 1.00 11.23 ? 197 ILE A HA 1 ATOM 3218 H HB . ILE A 1 197 ? -4.423 2.456 51.300 1.00 14.63 ? 197 ILE A HB 1 ATOM 3219 H HG12 . ILE A 1 197 ? -5.177 4.512 52.076 1.00 13.54 ? 197 ILE A HG12 1 ATOM 3220 H HG13 . ILE A 1 197 ? -6.228 3.903 51.055 1.00 13.54 ? 197 ILE A HG13 1 ATOM 3221 H HG21 . ILE A 1 197 ? -6.495 1.462 50.848 1.00 15.27 ? 197 ILE A HG21 1 ATOM 3222 H HG22 . ILE A 1 197 ? -5.590 0.483 51.681 1.00 15.27 ? 197 ILE A HG22 1 ATOM 3223 H HG23 . ILE A 1 197 ? -6.744 1.281 52.390 1.00 15.27 ? 197 ILE A HG23 1 ATOM 3224 H HD11 . ILE A 1 197 ? -7.336 4.836 52.872 1.00 13.58 ? 197 ILE A HD11 1 ATOM 3225 H HD12 . ILE A 1 197 ? -7.595 3.285 52.842 1.00 13.58 ? 197 ILE A HD12 1 ATOM 3226 H HD13 . ILE A 1 197 ? -6.554 3.889 53.854 1.00 13.58 ? 197 ILE A HD13 1 ATOM 3227 N N . ILE A 1 198 ? -4.140 -0.067 53.971 1.00 10.26 ? 198 ILE A N 1 ATOM 3228 C CA . ILE A 1 198 ? -3.539 -1.392 53.883 1.00 8.88 ? 198 ILE A CA 1 ATOM 3229 C C . ILE A 1 198 ? -4.189 -2.139 52.730 1.00 11.95 ? 198 ILE A C 1 ATOM 3230 O O . ILE A 1 198 ? -5.427 -2.241 52.635 1.00 12.86 ? 198 ILE A O 1 ATOM 3231 C CB . ILE A 1 198 ? -3.756 -2.177 55.184 1.00 8.60 ? 198 ILE A CB 1 ATOM 3232 C CG1 . ILE A 1 198 ? -3.028 -1.464 56.312 1.00 12.06 ? 198 ILE A CG1 1 ATOM 3233 C CG2 . ILE A 1 198 ? -3.227 -3.583 55.029 1.00 12.21 ? 198 ILE A CG2 1 ATOM 3234 C CD1 . ILE A 1 198 ? -3.275 -2.052 57.696 1.00 15.84 ? 198 ILE A CD1 1 ATOM 3235 H H . ILE A 1 198 ? -4.837 -0.026 54.473 1.00 12.30 ? 198 ILE A H 1 ATOM 3236 H HA . ILE A 1 198 ? -2.577 -1.314 53.713 1.00 10.64 ? 198 ILE A HA 1 ATOM 3237 H HB . ILE A 1 198 ? -4.704 -2.210 55.385 1.00 10.31 ? 198 ILE A HB 1 ATOM 3238 H HG12 . ILE A 1 198 ? -2.074 -1.506 56.141 1.00 14.46 ? 198 ILE A HG12 1 ATOM 3239 H HG13 . ILE A 1 198 ? -3.316 -0.538 56.331 1.00 14.46 ? 198 ILE A HG13 1 ATOM 3240 H HG21 . ILE A 1 198 ? -3.369 -4.062 55.849 1.00 14.64 ? 198 ILE A HG21 1 ATOM 3241 H HG22 . ILE A 1 198 ? -3.697 -4.015 54.311 1.00 14.64 ? 198 ILE A HG22 1 ATOM 3242 H HG23 . ILE A 1 198 ? -2.289 -3.544 54.830 1.00 14.64 ? 198 ILE A HG23 1 ATOM 3243 H HD11 . ILE A 1 198 ? -2.781 -1.545 58.343 1.00 19.00 ? 198 ILE A HD11 1 ATOM 3244 H HD12 . ILE A 1 198 ? -4.214 -2.007 57.891 1.00 19.00 ? 198 ILE A HD12 1 ATOM 3245 H HD13 . ILE A 1 198 ? -2.982 -2.967 57.703 1.00 19.00 ? 198 ILE A HD13 1 ATOM 3246 N N . LYS A 1 199 ? -3.357 -2.673 51.832 1.00 9.46 ? 199 LYS A N 1 ATOM 3247 C CA . LYS A 1 199 ? -3.809 -3.409 50.658 1.00 8.64 ? 199 LYS A CA 1 ATOM 3248 C C . LYS A 1 199 ? -2.988 -4.678 50.487 1.00 8.83 ? 199 LYS A C 1 ATOM 3249 O O . LYS A 1 199 ? -1.883 -4.784 51.011 1.00 8.75 ? 199 LYS A O 1 ATOM 3250 C CB . LYS A 1 199 ? -3.660 -2.572 49.380 1.00 10.43 ? 199 LYS A CB 1 ATOM 3251 C CG . LYS A 1 199 ? -4.681 -1.460 49.194 1.00 13.69 ? 199 LYS A CG 1 ATOM 3252 C CD . LYS A 1 199 ? -6.020 -2.101 48.836 1.00 16.46 ? 199 LYS A CD 1 ATOM 3253 C CE . LYS A 1 199 ? -7.076 -1.081 48.653 1.00 15.78 ? 199 LYS A CE 1 ATOM 3254 N NZ . LYS A 1 199 ? -8.352 -1.784 48.363 1.00 25.55 ? 199 LYS A NZ 1 ATOM 3255 H H . LYS A 1 199 ? -2.501 -2.619 51.888 1.00 11.34 ? 199 LYS A H 1 ATOM 3256 H HA . LYS A 1 199 ? -4.751 -3.656 50.764 1.00 10.36 ? 199 LYS A HA 1 ATOM 3257 H HB2 . LYS A 1 199 ? -2.782 -2.161 49.383 1.00 12.51 ? 199 LYS A HB2 1 ATOM 3258 H HB3 . LYS A 1 199 ? -3.736 -3.165 48.616 1.00 12.51 ? 199 LYS A HB3 1 ATOM 3259 H HG2 . LYS A 1 199 ? -4.781 -0.962 50.020 1.00 16.41 ? 199 LYS A HG2 1 ATOM 3260 H HG3 . LYS A 1 199 ? -4.407 -0.877 48.468 1.00 16.41 ? 199 LYS A HG3 1 ATOM 3261 H HD2 . LYS A 1 199 ? -5.927 -2.594 48.006 1.00 19.74 ? 199 LYS A HD2 1 ATOM 3262 H HD3 . LYS A 1 199 ? -6.292 -2.695 49.552 1.00 19.74 ? 199 LYS A HD3 1 ATOM 3263 H HE2 . LYS A 1 199 ? -7.180 -0.563 49.467 1.00 18.92 ? 199 LYS A HE2 1 ATOM 3264 H HE3 . LYS A 1 199 ? -6.855 -0.507 47.903 1.00 18.92 ? 199 LYS A HE3 1 ATOM 3265 H HZ1 . LYS A 1 199 ? -9.057 -1.145 48.240 1.00 30.65 ? 199 LYS A HZ1 1 ATOM 3266 H HZ2 . LYS A 1 199 ? -8.263 -2.309 47.564 1.00 30.65 ? 199 LYS A HZ2 1 ATOM 3267 H HZ3 . LYS A 1 199 ? -8.580 -2.363 49.094 1.00 30.65 ? 199 LYS A HZ3 1 ATOM 3268 N N . PRO A 1 200 ? -3.485 -5.649 49.721 1.00 9.47 ? 200 PRO A N 1 ATOM 3269 C CA . PRO A 1 200 ? -2.647 -6.787 49.373 1.00 9.75 ? 200 PRO A CA 1 ATOM 3270 C C . PRO A 1 200 ? -1.417 -6.330 48.606 1.00 9.41 ? 200 PRO A C 1 ATOM 3271 O O . PRO A 1 200 ? -1.448 -5.372 47.867 1.00 11.72 ? 200 PRO A O 1 ATOM 3272 C CB . PRO A 1 200 ? -3.559 -7.641 48.484 1.00 13.16 ? 200 PRO A CB 1 ATOM 3273 C CG . PRO A 1 200 ? -4.980 -7.207 48.870 1.00 17.00 ? 200 PRO A CG 1 ATOM 3274 C CD . PRO A 1 200 ? -4.859 -5.753 49.184 1.00 12.81 ? 200 PRO A CD 1 ATOM 3275 H HA . PRO A 1 200 ? -2.384 -7.291 50.171 1.00 11.69 ? 200 PRO A HA 1 ATOM 3276 H HB2 . PRO A 1 200 ? -3.381 -7.450 47.550 1.00 15.78 ? 200 PRO A HB2 1 ATOM 3277 H HB3 . PRO A 1 200 ? -3.420 -8.582 48.677 1.00 15.78 ? 200 PRO A HB3 1 ATOM 3278 H HG2 . PRO A 1 200 ? -5.581 -7.348 48.122 1.00 20.39 ? 200 PRO A HG2 1 ATOM 3279 H HG3 . PRO A 1 200 ? -5.275 -7.704 49.649 1.00 20.39 ? 200 PRO A HG3 1 ATOM 3280 H HD2 . PRO A 1 200 ? -4.950 -5.222 48.378 1.00 15.36 ? 200 PRO A HD2 1 ATOM 3281 H HD3 . PRO A 1 200 ? -5.507 -5.495 49.858 1.00 15.36 ? 200 PRO A HD3 1 ATOM 3282 N N . LEU A 1 201 ? -0.314 -7.042 48.803 1.00 10.34 ? 201 LEU A N 1 ATOM 3283 C CA . LEU A 1 201 ? 0.932 -6.859 48.050 1.00 11.80 ? 201 LEU A CA 1 ATOM 3284 C C . LEU A 1 201 ? 0.757 -7.568 46.721 1.00 15.47 ? 201 LEU A C 1 ATOM 3285 O O . LEU A 1 201 ? 0.588 -8.798 46.684 1.00 17.72 ? 201 LEU A O 1 ATOM 3286 C CB . LEU A 1 201 ? 2.049 -7.543 48.826 1.00 13.51 ? 201 LEU A CB 1 ATOM 3287 C CG . LEU A 1 201 ? 3.339 -7.755 48.029 1.00 17.81 ? 201 LEU A CG 1 ATOM 3288 C CD1 . LEU A 1 201 ? 3.955 -6.434 47.713 1.00 16.27 ? 201 LEU A CD1 1 ATOM 3289 C CD2 . LEU A 1 201 ? 4.333 -8.634 48.833 1.00 20.19 ? 201 LEU A CD2 1 ATOM 3290 H H . LEU A 1 201 ? -0.258 -7.666 49.393 1.00 12.39 ? 201 LEU A H 1 ATOM 3291 H HA . LEU A 1 201 ? 1.136 -5.910 47.912 1.00 14.14 ? 201 LEU A HA 1 ATOM 3292 H HB2 . LEU A 1 201 ? 2.267 -7.000 49.600 1.00 16.20 ? 201 LEU A HB2 1 ATOM 3293 H HB3 . LEU A 1 201 ? 1.737 -8.414 49.117 1.00 16.20 ? 201 LEU A HB3 1 ATOM 3294 H HG . LEU A 1 201 ? 3.134 -8.206 47.196 1.00 21.36 ? 201 LEU A HG 1 ATOM 3295 H HD11 . LEU A 1 201 ? 4.763 -6.578 47.214 1.00 19.51 ? 201 LEU A HD11 1 ATOM 3296 H HD12 . LEU A 1 201 ? 3.336 -5.917 47.193 1.00 19.51 ? 201 LEU A HD12 1 ATOM 3297 H HD13 . LEU A 1 201 ? 4.154 -5.978 48.534 1.00 19.51 ? 201 LEU A HD13 1 ATOM 3298 H HD21 . LEU A 1 201 ? 5.133 -8.754 48.315 1.00 24.22 ? 201 LEU A HD21 1 ATOM 3299 H HD22 . LEU A 1 201 ? 4.541 -8.194 49.660 1.00 24.22 ? 201 LEU A HD22 1 ATOM 3300 H HD23 . LEU A 1 201 ? 3.926 -9.486 49.008 1.00 24.22 ? 201 LEU A HD23 1 ATOM 3301 N N . VAL A 1 202 ? 0.719 -6.822 45.624 1.00 11.03 ? 202 VAL A N 1 ATOM 3302 C CA . VAL A 1 202 ? 0.479 -7.445 44.329 1.00 10.73 ? 202 VAL A CA 1 ATOM 3303 C C . VAL A 1 202 ? 1.663 -7.414 43.409 1.00 10.17 ? 202 VAL A C 1 ATOM 3304 O O . VAL A 1 202 ? 1.618 -7.972 42.299 1.00 11.51 ? 202 VAL A O 1 ATOM 3305 C CB . VAL A 1 202 ? -0.702 -6.781 43.584 1.00 10.97 ? 202 VAL A CB 1 ATOM 3306 C CG1 . VAL A 1 202 ? -1.972 -6.862 44.448 1.00 13.51 ? 202 VAL A CG1 1 ATOM 3307 C CG2 . VAL A 1 202 ? -0.413 -5.338 43.201 1.00 11.58 ? 202 VAL A CG2 1 ATOM 3308 H H . VAL A 1 202 ? 0.827 -5.969 45.600 1.00 13.22 ? 202 VAL A H 1 ATOM 3309 H HA . VAL A 1 202 ? 0.244 -8.385 44.476 1.00 12.86 ? 202 VAL A HA 1 ATOM 3310 H HB . VAL A 1 202 ? -0.872 -7.280 42.758 1.00 13.15 ? 202 VAL A HB 1 ATOM 3311 H HG11 . VAL A 1 202 ? -2.698 -6.447 43.976 1.00 16.20 ? 202 VAL A HG11 1 ATOM 3312 H HG12 . VAL A 1 202 ? -2.176 -7.785 44.617 1.00 16.20 ? 202 VAL A HG12 1 ATOM 3313 H HG13 . VAL A 1 202 ? -1.815 -6.404 45.277 1.00 16.20 ? 202 VAL A HG13 1 ATOM 3314 H HG21 . VAL A 1 202 ? -1.177 -4.978 42.744 1.00 13.89 ? 202 VAL A HG21 1 ATOM 3315 H HG22 . VAL A 1 202 ? -0.239 -4.832 43.998 1.00 13.89 ? 202 VAL A HG22 1 ATOM 3316 H HG23 . VAL A 1 202 ? 0.354 -5.316 42.624 1.00 13.89 ? 202 VAL A HG23 1 ATOM 3317 N N . TRP A 1 203 ? 2.737 -6.776 43.867 1.00 9.42 ? 203 TRP A N 1 ATOM 3318 C CA . TRP A 1 203 ? 3.910 -6.559 43.020 1.00 11.07 ? 203 TRP A CA 1 ATOM 3319 C C . TRP A 1 203 ? 5.119 -7.411 43.348 1.00 15.39 ? 203 TRP A C 1 ATOM 3320 O O . TRP A 1 203 ? 6.156 -7.293 42.704 1.00 22.17 ? 203 TRP A O 1 ATOM 3321 C CB . TRP A 1 203 ? 4.309 -5.086 43.028 1.00 12.44 ? 203 TRP A CB 1 ATOM 3322 C CG . TRP A 1 203 ? 4.238 -4.386 44.333 1.00 9.70 ? 203 TRP A CG 1 ATOM 3323 C CD1 . TRP A 1 203 ? 3.191 -3.686 44.822 1.00 10.38 ? 203 TRP A CD1 1 ATOM 3324 C CD2 . TRP A 1 203 ? 5.296 -4.237 45.300 1.00 8.96 ? 203 TRP A CD2 1 ATOM 3325 N NE1 . TRP A 1 203 ? 3.495 -3.149 46.046 1.00 9.56 ? 203 TRP A NE1 1 ATOM 3326 C CE2 . TRP A 1 203 ? 4.796 -3.463 46.350 1.00 8.72 ? 203 TRP A CE2 1 ATOM 3327 C CE3 . TRP A 1 203 ? 6.615 -4.704 45.378 1.00 11.24 ? 203 TRP A CE3 1 ATOM 3328 C CZ2 . TRP A 1 203 ? 5.565 -3.103 47.456 1.00 10.77 ? 203 TRP A CZ2 1 ATOM 3329 C CZ3 . TRP A 1 203 ? 7.372 -4.349 46.477 1.00 11.20 ? 203 TRP A CZ3 1 ATOM 3330 C CH2 . TRP A 1 203 ? 6.846 -3.577 47.502 1.00 13.09 ? 203 TRP A CH2 1 ATOM 3331 H H . TRP A 1 203 ? 2.812 -6.459 44.662 1.00 11.30 ? 203 TRP A H 1 ATOM 3332 H HA . TRP A 1 203 ? 3.655 -6.778 42.100 1.00 13.27 ? 203 TRP A HA 1 ATOM 3333 H HB2 . TRP A 1 203 ? 5.225 -5.018 42.716 1.00 14.92 ? 203 TRP A HB2 1 ATOM 3334 H HB3 . TRP A 1 203 ? 3.726 -4.611 42.416 1.00 14.92 ? 203 TRP A HB3 1 ATOM 3335 H HD1 . TRP A 1 203 ? 2.362 -3.617 44.406 1.00 12.45 ? 203 TRP A HD1 1 ATOM 3336 H HE1 . TRP A 1 203 ? 2.969 -2.667 46.527 1.00 11.46 ? 203 TRP A HE1 1 ATOM 3337 H HE3 . TRP A 1 203 ? 6.985 -5.204 44.686 1.00 13.48 ? 203 TRP A HE3 1 ATOM 3338 H HZ2 . TRP A 1 203 ? 5.206 -2.605 48.155 1.00 12.91 ? 203 TRP A HZ2 1 ATOM 3339 H HZ3 . TRP A 1 203 ? 8.249 -4.650 46.540 1.00 13.42 ? 203 TRP A HZ3 1 ATOM 3340 H HH2 . TRP A 1 203 ? 7.377 -3.377 48.238 1.00 15.70 ? 203 TRP A HH2 1 ATOM 3341 N N . VAL A 1 204 ? 5.036 -8.297 44.308 1.00 18.07 ? 204 VAL A N 1 ATOM 3342 C CA . VAL A 1 204 ? 6.101 -9.318 44.286 1.00 28.95 ? 204 VAL A CA 1 ATOM 3343 C C . VAL A 1 204 ? 5.752 -10.445 43.304 1.00 45.33 ? 204 VAL A C 1 ATOM 3344 O O . VAL A 1 204 ? 6.626 -10.903 42.554 1.00 51.97 ? 204 VAL A O 1 ATOM 3345 C CB . VAL A 1 204 ? 6.441 -9.843 45.674 1.00 30.54 ? 204 VAL A CB 1 ATOM 3346 C CG1 . VAL A 1 204 ? 7.101 -8.730 46.461 1.00 21.32 ? 204 VAL A CG1 1 ATOM 3347 C CG2 . VAL A 1 204 ? 5.192 -10.385 46.372 1.00 47.68 ? 204 VAL A CG2 1 ATOM 3348 O OXT . VAL A 1 204 ? 4.598 -10.887 43.204 1.00 48.12 ? 204 VAL A OXT 1 ATOM 3349 H H . VAL A 1 204 ? 4.447 -8.348 44.933 1.00 21.67 ? 204 VAL A H 1 ATOM 3350 H HA . VAL A 1 204 ? 6.913 -8.890 43.943 1.00 34.72 ? 204 VAL A HA 1 ATOM 3351 H HB . VAL A 1 204 ? 7.084 -10.578 45.589 1.00 36.64 ? 204 VAL A HB 1 ATOM 3352 H HG11 . VAL A 1 204 ? 7.318 -9.054 47.338 1.00 25.58 ? 204 VAL A HG11 1 ATOM 3353 H HG12 . VAL A 1 204 ? 7.900 -8.457 46.005 1.00 25.58 ? 204 VAL A HG12 1 ATOM 3354 H HG13 . VAL A 1 204 ? 6.492 -7.990 46.526 1.00 25.58 ? 204 VAL A HG13 1 ATOM 3355 H HG21 . VAL A 1 204 ? 5.437 -10.708 47.242 1.00 57.21 ? 204 VAL A HG21 1 ATOM 3356 H HG22 . VAL A 1 204 ? 4.549 -9.677 46.454 1.00 57.21 ? 204 VAL A HG22 1 ATOM 3357 H HG23 . VAL A 1 204 ? 4.827 -11.100 45.847 1.00 57.21 ? 204 VAL A HG23 1 ATOM 3358 N N . HIS B 1 1 ? -24.476 -4.277 21.399 1.00 37.23 ? 1 HIS B N 1 ATOM 3359 C CA . HIS B 1 1 ? -25.062 -5.423 20.683 1.00 37.77 ? 1 HIS B CA 1 ATOM 3360 C C . HIS B 1 1 ? -24.227 -5.842 19.469 1.00 33.53 ? 1 HIS B C 1 ATOM 3361 O O . HIS B 1 1 ? -24.712 -6.576 18.610 1.00 28.99 ? 1 HIS B O 1 ATOM 3362 C CB . HIS B 1 1 ? -26.501 -5.066 20.275 1.00 40.97 ? 1 HIS B CB 1 ATOM 3363 C CG . HIS B 1 1 ? -27.375 -4.717 21.444 1.00 65.62 ? 1 HIS B CG 1 ATOM 3364 N ND1 . HIS B 1 1 ? -27.841 -3.439 21.679 1.00 63.07 ? 1 HIS B ND1 1 ATOM 3365 C CD2 . HIS B 1 1 ? -27.834 -5.477 22.468 1.00 72.16 ? 1 HIS B CD2 1 ATOM 3366 C CE1 . HIS B 1 1 ? -28.567 -3.432 22.783 1.00 60.17 ? 1 HIS B CE1 1 ATOM 3367 N NE2 . HIS B 1 1 ? -28.579 -4.657 23.282 1.00 66.86 ? 1 HIS B NE2 1 ATOM 3368 H H1 . HIS B 1 1 ? -25.077 -3.991 22.091 1.00 44.66 ? 1 HIS B H1 1 ATOM 3369 H H2 . HIS B 1 1 ? -23.639 -4.538 21.789 1.00 44.66 ? 1 HIS B H2 1 ATOM 3370 H H3 . HIS B 1 1 ? -24.331 -3.555 20.783 1.00 44.66 ? 1 HIS B H3 1 ATOM 3371 H HA . HIS B 1 1 ? -25.105 -6.188 21.294 1.00 45.31 ? 1 HIS B HA 1 ATOM 3372 H HB2 . HIS B 1 1 ? -26.479 -4.300 19.680 1.00 49.16 ? 1 HIS B HB2 1 ATOM 3373 H HB3 . HIS B 1 1 ? -26.898 -5.826 19.822 1.00 49.16 ? 1 HIS B HB3 1 ATOM 3374 H HD2 . HIS B 1 1 ? -27.683 -6.387 22.591 1.00 86.57 ? 1 HIS B HD2 1 ATOM 3375 H HE1 . HIS B 1 1 ? -28.997 -2.692 23.148 1.00 72.20 ? 1 HIS B HE1 1 ATOM 3376 H HE2 . HIS B 1 1 ? -28.987 -4.900 23.999 1.00 80.22 ? 1 HIS B HE2 1 ATOM 3377 N N . THR B 1 2 ? -22.966 -5.393 19.404 1.00 20.33 ? 2 THR B N 1 ATOM 3378 C CA . THR B 1 2 ? -22.057 -5.819 18.355 1.00 17.11 ? 2 THR B CA 1 ATOM 3379 C C . THR B 1 2 ? -20.848 -6.528 18.969 1.00 14.00 ? 2 THR B C 1 ATOM 3380 O O . THR B 1 2 ? -20.279 -6.080 19.968 1.00 14.54 ? 2 THR B O 1 ATOM 3381 C CB . THR B 1 2 ? -21.565 -4.634 17.547 1.00 19.93 ? 2 THR B CB 1 ATOM 3382 O OG1 . THR B 1 2 ? -22.683 -3.993 16.928 1.00 28.13 ? 2 THR B OG1 1 ATOM 3383 C CG2 . THR B 1 2 ? -20.587 -5.068 16.476 1.00 17.78 ? 2 THR B CG2 1 ATOM 3384 H H . THR B 1 2 ? -22.620 -4.838 19.963 1.00 24.38 ? 2 THR B H 1 ATOM 3385 H HA . THR B 1 2 ? -22.515 -6.442 17.753 1.00 20.52 ? 2 THR B HA 1 ATOM 3386 H HB . THR B 1 2 ? -21.117 -4.005 18.135 1.00 23.91 ? 2 THR B HB 1 ATOM 3387 H HG1 . THR B 1 2 ? -22.429 -3.349 16.487 1.00 33.74 ? 2 THR B HG1 1 ATOM 3388 H HG21 . THR B 1 2 ? -20.288 -4.304 15.977 1.00 21.32 ? 2 THR B HG21 1 ATOM 3389 H HG22 . THR B 1 2 ? -19.827 -5.494 16.879 1.00 21.32 ? 2 THR B HG22 1 ATOM 3390 H HG23 . THR B 1 2 ? -21.010 -5.686 15.877 1.00 21.32 ? 2 THR B HG23 1 ATOM 3391 N N . ASP B 1 3 ? -20.470 -7.660 18.394 1.00 11.72 ? 3 ASP B N 1 ATOM 3392 C CA . ASP B 1 3 ? -19.373 -8.425 18.932 1.00 10.84 ? 3 ASP B CA 1 ATOM 3393 C C . ASP B 1 3 ? -18.112 -8.023 18.130 1.00 12.34 ? 3 ASP B C 1 ATOM 3394 O O . ASP B 1 3 ? -17.966 -8.332 16.932 1.00 13.71 ? 3 ASP B O 1 ATOM 3395 C CB . ASP B 1 3 ? -19.666 -9.911 18.760 1.00 12.06 ? 3 ASP B CB 1 ATOM 3396 C CG . ASP B 1 3 ? -18.546 -10.788 19.239 1.00 17.23 ? 3 ASP B CG 1 ATOM 3397 O OD1 . ASP B 1 3 ? -17.472 -10.282 19.624 1.00 15.06 ? 3 ASP B OD1 1 ATOM 3398 O OD2 . ASP B 1 3 ? -18.731 -12.031 19.272 1.00 22.85 ? 3 ASP B OD2 1 ATOM 3399 H H . ASP B 1 3 ? -20.834 -8.001 17.693 1.00 14.05 ? 3 ASP B H 1 ATOM 3400 H HA . ASP B 1 3 ? -19.241 -8.221 19.882 1.00 12.99 ? 3 ASP B HA 1 ATOM 3401 H HB2 . ASP B 1 3 ? -20.461 -10.136 19.267 1.00 14.46 ? 3 ASP B HB2 1 ATOM 3402 H HB3 . ASP B 1 3 ? -19.810 -10.096 17.819 1.00 14.46 ? 3 ASP B HB3 1 ATOM 3403 N N . LEU B 1 4 ? -17.226 -7.261 18.776 1.00 9.43 ? 4 LEU B N 1 ATOM 3404 C CA . LEU B 1 4 ? -16.010 -6.794 18.109 1.00 10.29 ? 4 LEU B CA 1 ATOM 3405 C C . LEU B 1 4 ? -14.793 -7.683 18.398 1.00 11.94 ? 4 LEU B C 1 ATOM 3406 O O . LEU B 1 4 ? -13.664 -7.286 18.193 1.00 9.86 ? 4 LEU B O 1 ATOM 3407 C CB . LEU B 1 4 ? -15.715 -5.342 18.491 1.00 11.24 ? 4 LEU B CB 1 ATOM 3408 C CG . LEU B 1 4 ? -16.758 -4.363 18.017 1.00 10.73 ? 4 LEU B CG 1 ATOM 3409 C CD1 . LEU B 1 4 ? -16.438 -2.968 18.548 1.00 13.05 ? 4 LEU B CD1 1 ATOM 3410 C CD2 . LEU B 1 4 ? -16.791 -4.340 16.520 1.00 12.56 ? 4 LEU B CD2 1 ATOM 3411 H H . LEU B 1 4 ? -17.304 -7.004 19.593 1.00 11.31 ? 4 LEU B H 1 ATOM 3412 H HA . LEU B 1 4 ? -16.163 -6.816 17.141 1.00 12.34 ? 4 LEU B HA 1 ATOM 3413 H HB2 . LEU B 1 4 ? -15.666 -5.278 19.458 1.00 13.48 ? 4 LEU B HB2 1 ATOM 3414 H HB3 . LEU B 1 4 ? -14.866 -5.083 18.101 1.00 13.48 ? 4 LEU B HB3 1 ATOM 3415 H HG . LEU B 1 4 ? -17.631 -4.629 18.344 1.00 12.86 ? 4 LEU B HG 1 ATOM 3416 H HD11 . LEU B 1 4 ? -17.109 -2.355 18.238 1.00 15.64 ? 4 LEU B HD11 1 ATOM 3417 H HD12 . LEU B 1 4 ? -16.435 -2.993 19.508 1.00 15.64 ? 4 LEU B HD12 1 ATOM 3418 H HD13 . LEU B 1 4 ? -15.575 -2.700 18.223 1.00 15.64 ? 4 LEU B HD13 1 ATOM 3419 H HD21 . LEU B 1 4 ? -17.459 -3.713 16.232 1.00 15.05 ? 4 LEU B HD21 1 ATOM 3420 H HD22 . LEU B 1 4 ? -15.929 -4.075 16.192 1.00 15.05 ? 4 LEU B HD22 1 ATOM 3421 H HD23 . LEU B 1 4 ? -17.007 -5.219 16.199 1.00 15.05 ? 4 LEU B HD23 1 ATOM 3422 N N . SER B 1 5 ? -15.021 -8.909 18.865 1.00 12.81 ? 5 SER B N 1 ATOM 3423 C CA . SER B 1 5 ? -13.927 -9.850 19.054 1.00 11.41 ? 5 SER B CA 1 ATOM 3424 C C . SER B 1 5 ? -13.017 -9.864 17.831 1.00 9.25 ? 5 SER B C 1 ATOM 3425 O O . SER B 1 5 ? -13.505 -10.004 16.705 1.00 12.67 ? 5 SER B O 1 ATOM 3426 C CB . SER B 1 5 ? -14.478 -11.275 19.182 1.00 15.01 ? 5 SER B CB 1 ATOM 3427 O OG . SER B 1 5 ? -15.198 -11.437 20.372 1.00 19.34 ? 5 SER B OG 1 ATOM 3428 H H . SER B 1 5 ? -15.795 -9.216 19.079 1.00 15.36 ? 5 SER B H 1 ATOM 3429 H HA . SER B 1 5 ? -13.405 -9.623 19.852 1.00 13.68 ? 5 SER B HA 1 ATOM 3430 H HB2 . SER B 1 5 ? -15.066 -11.453 18.432 1.00 18.00 ? 5 SER B HB2 1 ATOM 3431 H HB3 . SER B 1 5 ? -13.736 -11.900 19.176 1.00 18.00 ? 5 SER B HB3 1 ATOM 3432 H HG . SER B 1 5 ? -15.485 -12.204 20.424 1.00 23.19 ? 5 SER B HG 1 ATOM 3433 N N . GLY B 1 6 ? -11.706 -9.722 18.077 1.00 11.59 ? 6 GLY B N 1 ATOM 3434 C CA . GLY B 1 6 ? -10.721 -9.775 17.017 1.00 11.84 ? 6 GLY B CA 1 ATOM 3435 C C . GLY B 1 6 ? -10.594 -8.523 16.172 1.00 11.10 ? 6 GLY B C 1 ATOM 3436 O O . GLY B 1 6 ? -9.879 -8.551 15.176 1.00 12.35 ? 6 GLY B O 1 ATOM 3437 H H . GLY B 1 6 ? -11.372 -9.594 18.859 1.00 13.89 ? 6 GLY B H 1 ATOM 3438 H HA2 . GLY B 1 6 ? -9.853 -9.957 17.408 1.00 14.19 ? 6 GLY B HA2 1 ATOM 3439 H HA3 . GLY B 1 6 ? -10.941 -10.510 16.425 1.00 14.19 ? 6 GLY B HA3 1 ATOM 3440 N N . LYS B 1 7 ? -11.304 -7.465 16.566 1.00 10.59 ? 7 LYS B N 1 ATOM 3441 C CA . LYS B 1 7 ? -11.313 -6.214 15.804 1.00 10.85 ? 7 LYS B CA 1 ATOM 3442 C C . LYS B 1 7 ? -10.903 -5.053 16.705 1.00 10.21 ? 7 LYS B C 1 ATOM 3443 O O . LYS B 1 7 ? -10.969 -5.124 17.921 1.00 10.20 ? 7 LYS B O 1 ATOM 3444 C CB . LYS B 1 7 ? -12.695 -5.936 15.243 1.00 9.68 ? 7 LYS B CB 1 ATOM 3445 C CG . LYS B 1 7 ? -13.208 -7.054 14.327 1.00 14.06 ? 7 LYS B CG 1 ATOM 3446 C CD . LYS B 1 7 ? -14.583 -6.785 13.755 1.00 19.80 ? 7 LYS B CD 1 ATOM 3447 C CE . LYS B 1 7 ? -15.070 -8.016 12.980 1.00 30.91 ? 7 LYS B CE 1 ATOM 3448 N NZ . LYS B 1 7 ? -13.969 -8.627 12.187 1.00 46.93 ? 7 LYS B NZ 1 ATOM 3449 H H . LYS B 1 7 ? -11.791 -7.446 17.275 1.00 12.70 ? 7 LYS B H 1 ATOM 3450 H HA . LYS B 1 7 ? -10.677 -6.274 15.060 1.00 13.01 ? 7 LYS B HA 1 ATOM 3451 H HB2 . LYS B 1 7 ? -13.320 -5.841 15.978 1.00 11.60 ? 7 LYS B HB2 1 ATOM 3452 H HB3 . LYS B 1 7 ? -12.666 -5.115 14.726 1.00 11.60 ? 7 LYS B HB3 1 ATOM 3453 H HG2 . LYS B 1 7 ? -12.593 -7.158 13.584 1.00 16.86 ? 7 LYS B HG2 1 ATOM 3454 H HG3 . LYS B 1 7 ? -13.254 -7.879 14.835 1.00 16.86 ? 7 LYS B HG3 1 ATOM 3455 H HD2 . LYS B 1 7 ? -15.207 -6.607 14.476 1.00 23.75 ? 7 LYS B HD2 1 ATOM 3456 H HD3 . LYS B 1 7 ? -14.541 -6.032 13.145 1.00 23.75 ? 7 LYS B HD3 1 ATOM 3457 H HE2 . LYS B 1 7 ? -15.399 -8.680 13.606 1.00 37.08 ? 7 LYS B HE2 1 ATOM 3458 H HE3 . LYS B 1 7 ? -15.775 -7.752 12.368 1.00 37.08 ? 7 LYS B HE3 1 ATOM 3459 H HZ1 . LYS B 1 7 ? -14.295 -9.394 11.710 1.00 56.31 ? 7 LYS B HZ1 1 ATOM 3460 H HZ2 . LYS B 1 7 ? -13.627 -7.990 11.555 1.00 56.31 ? 7 LYS B HZ2 1 ATOM 3461 H HZ3 . LYS B 1 7 ? -13.258 -8.901 12.770 1.00 56.31 ? 7 LYS B HZ3 1 ATOM 3462 N N . VAL B 1 8 ? -10.456 -3.996 16.060 1.00 8.91 ? 8 VAL B N 1 ATOM 3463 C CA . VAL B 1 8 ? -10.124 -2.728 16.701 1.00 8.11 ? 8 VAL B CA 1 ATOM 3464 C C . VAL B 1 8 ? -10.819 -1.555 16.041 1.00 8.54 ? 8 VAL B C 1 ATOM 3465 O O . VAL B 1 8 ? -11.211 -1.623 14.874 1.00 8.86 ? 8 VAL B O 1 ATOM 3466 C CB . VAL B 1 8 ? -8.606 -2.440 16.591 1.00 8.84 ? 8 VAL B CB 1 ATOM 3467 C CG1 . VAL B 1 8 ? -7.781 -3.395 17.390 1.00 12.71 ? 8 VAL B CG1 1 ATOM 3468 C CG2 . VAL B 1 8 ? -8.119 -2.407 15.152 1.00 9.23 ? 8 VAL B CG2 1 ATOM 3469 H H . VAL B 1 8 ? -10.329 -3.983 15.209 1.00 10.68 ? 8 VAL B H 1 ATOM 3470 H HA . VAL B 1 8 ? -10.375 -2.756 17.648 1.00 9.72 ? 8 VAL B HA 1 ATOM 3471 H HB . VAL B 1 8 ? -8.445 -1.548 16.963 1.00 10.59 ? 8 VAL B HB 1 ATOM 3472 H HG11 . VAL B 1 8 ? -6.854 -3.170 17.284 1.00 15.24 ? 8 VAL B HG11 1 ATOM 3473 H HG12 . VAL B 1 8 ? -8.032 -3.327 18.314 1.00 15.24 ? 8 VAL B HG12 1 ATOM 3474 H HG13 . VAL B 1 8 ? -7.940 -4.287 17.072 1.00 15.24 ? 8 VAL B HG13 1 ATOM 3475 H HG21 . VAL B 1 8 ? -7.176 -2.226 15.145 1.00 11.07 ? 8 VAL B HG21 1 ATOM 3476 H HG22 . VAL B 1 8 ? -8.291 -3.259 14.744 1.00 11.07 ? 8 VAL B HG22 1 ATOM 3477 H HG23 . VAL B 1 8 ? -8.589 -1.716 14.679 1.00 11.07 ? 8 VAL B HG23 1 ATOM 3478 N N . PHE B 1 9 ? -10.942 -0.458 16.790 1.00 7.01 ? 9 PHE B N 1 ATOM 3479 C CA . PHE B 1 9 ? -11.224 0.846 16.176 1.00 7.26 ? 9 PHE B CA 1 ATOM 3480 C C . PHE B 1 9 ? -9.907 1.478 15.795 1.00 7.72 ? 9 PHE B C 1 ATOM 3481 O O . PHE B 1 9 ? -8.968 1.530 16.612 1.00 7.79 ? 9 PHE B O 1 ATOM 3482 C CB . PHE B 1 9 ? -11.925 1.813 17.147 1.00 7.44 ? 9 PHE B CB 1 ATOM 3483 C CG . PHE B 1 9 ? -13.323 1.427 17.520 1.00 7.58 ? 9 PHE B CG 1 ATOM 3484 C CD1 . PHE B 1 9 ? -14.291 1.272 16.567 1.00 8.55 ? 9 PHE B CD1 1 ATOM 3485 C CD2 . PHE B 1 9 ? -13.667 1.285 18.855 1.00 8.38 ? 9 PHE B CD2 1 ATOM 3486 C CE1 . PHE B 1 9 ? -15.598 0.923 16.932 1.00 9.77 ? 9 PHE B CE1 1 ATOM 3487 C CE2 . PHE B 1 9 ? -14.991 0.937 19.242 1.00 9.86 ? 9 PHE B CE2 1 ATOM 3488 C CZ . PHE B 1 9 ? -15.942 0.770 18.277 1.00 8.85 ? 9 PHE B CZ 1 ATOM 3489 H H . PHE B 1 9 ? -10.869 -0.439 17.647 1.00 8.40 ? 9 PHE B H 1 ATOM 3490 H HA . PHE B 1 9 ? -11.775 0.733 15.373 1.00 8.70 ? 9 PHE B HA 1 ATOM 3491 H HB2 . PHE B 1 9 ? -11.406 1.860 17.965 1.00 8.91 ? 9 PHE B HB2 1 ATOM 3492 H HB3 . PHE B 1 9 ? -11.964 2.691 16.735 1.00 8.91 ? 9 PHE B HB3 1 ATOM 3493 H HD1 . PHE B 1 9 ? -14.075 1.372 15.668 1.00 10.25 ? 9 PHE B HD1 1 ATOM 3494 H HD2 . PHE B 1 9 ? -13.016 1.402 19.509 1.00 10.04 ? 9 PHE B HD2 1 ATOM 3495 H HE1 . PHE B 1 9 ? -16.246 0.809 16.275 1.00 11.71 ? 9 PHE B HE1 1 ATOM 3496 H HE2 . PHE B 1 9 ? -15.207 0.833 20.140 1.00 11.82 ? 9 PHE B HE2 1 ATOM 3497 H HZ . PHE B 1 9 ? -16.811 0.540 18.513 1.00 10.61 ? 9 PHE B HZ 1 ATOM 3498 N N . VAL B 1 10 ? -9.818 1.947 14.545 1.00 7.09 ? 10 VAL B N 1 ATOM 3499 C CA . VAL B 1 10 ? -8.668 2.705 14.052 1.00 6.55 ? 10 VAL B CA 1 ATOM 3500 C C . VAL B 1 10 ? -9.074 4.156 13.876 1.00 5.96 ? 10 VAL B C 1 ATOM 3501 O O . VAL B 1 10 ? -10.033 4.467 13.159 1.00 7.75 ? 10 VAL B O 1 ATOM 3502 C CB . VAL B 1 10 ? -8.167 2.179 12.697 1.00 8.53 ? 10 VAL B CB 1 ATOM 3503 C CG1 . VAL B 1 10 ? -6.883 2.886 12.316 1.00 8.84 ? 10 VAL B CG1 1 ATOM 3504 C CG2 . VAL B 1 10 ? -7.937 0.685 12.761 1.00 10.16 ? 10 VAL B CG2 1 ATOM 3505 H H . VAL B 1 10 ? -10.429 1.834 13.951 1.00 8.50 ? 10 VAL B H 1 ATOM 3506 H HA . VAL B 1 10 ? -7.935 2.657 14.700 1.00 7.85 ? 10 VAL B HA 1 ATOM 3507 H HB . VAL B 1 10 ? -8.839 2.361 12.007 1.00 10.23 ? 10 VAL B HB 1 ATOM 3508 H HG11 . VAL B 1 10 ? -6.581 2.549 11.469 1.00 10.59 ? 10 VAL B HG11 1 ATOM 3509 H HG12 . VAL B 1 10 ? -7.053 3.828 12.252 1.00 10.59 ? 10 VAL B HG12 1 ATOM 3510 H HG13 . VAL B 1 10 ? -6.222 2.716 12.991 1.00 10.59 ? 10 VAL B HG13 1 ATOM 3511 H HG21 . VAL B 1 10 ? -7.625 0.380 11.906 1.00 12.18 ? 10 VAL B HG21 1 ATOM 3512 H HG22 . VAL B 1 10 ? -7.279 0.500 13.435 1.00 12.18 ? 10 VAL B HG22 1 ATOM 3513 H HG23 . VAL B 1 10 ? -8.764 0.251 12.983 1.00 12.18 ? 10 VAL B HG23 1 ATOM 3514 N N . PHE B 1 11 ? -8.385 5.029 14.595 1.00 6.24 ? 11 PHE B N 1 ATOM 3515 C CA . PHE B 1 11 ? -8.548 6.479 14.517 1.00 6.84 ? 11 PHE B CA 1 ATOM 3516 C C . PHE B 1 11 ? -7.340 6.902 13.673 1.00 8.55 ? 11 PHE B C 1 ATOM 3517 O O . PHE B 1 11 ? -6.234 7.053 14.203 1.00 7.50 ? 11 PHE B O 1 ATOM 3518 C CB . PHE B 1 11 ? -8.484 7.082 15.943 1.00 7.89 ? 11 PHE B CB 1 ATOM 3519 C CG . PHE B 1 11 ? -9.529 6.530 16.866 1.00 6.63 ? 11 PHE B CG 1 ATOM 3520 C CD1 . PHE B 1 11 ? -9.336 5.363 17.534 1.00 8.66 ? 11 PHE B CD1 1 ATOM 3521 C CD2 . PHE B 1 11 ? -10.761 7.188 17.017 1.00 7.29 ? 11 PHE B CD2 1 ATOM 3522 C CE1 . PHE B 1 11 ? -10.334 4.823 18.342 1.00 8.50 ? 11 PHE B CE1 1 ATOM 3523 C CE2 . PHE B 1 11 ? -11.754 6.643 17.823 1.00 7.61 ? 11 PHE B CE2 1 ATOM 3524 C CZ . PHE B 1 11 ? -11.529 5.485 18.497 1.00 8.46 ? 11 PHE B CZ 1 ATOM 3525 H H . PHE B 1 11 ? -7.785 4.795 15.164 1.00 7.47 ? 11 PHE B H 1 ATOM 3526 H HA . PHE B 1 11 ? -9.385 6.726 14.072 1.00 8.20 ? 11 PHE B HA 1 ATOM 3527 H HB2 . PHE B 1 11 ? -7.615 6.889 16.328 1.00 9.45 ? 11 PHE B HB2 1 ATOM 3528 H HB3 . PHE B 1 11 ? -8.614 8.041 15.885 1.00 9.45 ? 11 PHE B HB3 1 ATOM 3529 H HD1 . PHE B 1 11 ? -8.533 4.906 17.432 1.00 10.38 ? 11 PHE B HD1 1 ATOM 3530 H HD2 . PHE B 1 11 ? -10.922 7.979 16.555 1.00 8.74 ? 11 PHE B HD2 1 ATOM 3531 H HE1 . PHE B 1 11 ? -10.179 4.032 18.805 1.00 10.19 ? 11 PHE B HE1 1 ATOM 3532 H HE2 . PHE B 1 11 ? -12.561 7.092 17.932 1.00 9.13 ? 11 PHE B HE2 1 ATOM 3533 H HZ . PHE B 1 11 ? -12.189 5.132 19.048 1.00 10.14 ? 11 PHE B HZ 1 ATOM 3534 N N . PRO B 1 12 ? -7.514 7.032 12.341 1.00 6.74 ? 12 PRO B N 1 ATOM 3535 C CA . PRO B 1 12 ? -6.334 7.029 11.468 1.00 8.23 ? 12 PRO B CA 1 ATOM 3536 C C . PRO B 1 12 ? -5.649 8.382 11.295 1.00 7.94 ? 12 PRO B C 1 ATOM 3537 O O . PRO B 1 12 ? -4.619 8.418 10.627 1.00 8.26 ? 12 PRO B O 1 ATOM 3538 C CB . PRO B 1 12 ? -6.882 6.512 10.112 1.00 9.98 ? 12 PRO B CB 1 ATOM 3539 C CG . PRO B 1 12 ? -8.295 6.023 10.413 1.00 8.21 ? 12 PRO B CG 1 ATOM 3540 C CD . PRO B 1 12 ? -8.755 6.864 11.564 1.00 7.94 ? 12 PRO B CD 1 ATOM 3541 H HA . PRO B 1 12 ? -5.676 6.387 11.806 1.00 9.86 ? 12 PRO B HA 1 ATOM 3542 H HB2 . PRO B 1 12 ? -6.900 7.238 9.469 1.00 11.97 ? 12 PRO B HB2 1 ATOM 3543 H HB3 . PRO B 1 12 ? -6.328 5.783 9.792 1.00 11.97 ? 12 PRO B HB3 1 ATOM 3544 H HG2 . PRO B 1 12 ? -8.862 6.162 9.638 1.00 9.84 ? 12 PRO B HG2 1 ATOM 3545 H HG3 . PRO B 1 12 ? -8.272 5.086 10.660 1.00 9.84 ? 12 PRO B HG3 1 ATOM 3546 H HD2 . PRO B 1 12 ? -9.081 7.723 11.251 1.00 9.52 ? 12 PRO B HD2 1 ATOM 3547 H HD3 . PRO B 1 12 ? -9.424 6.393 12.085 1.00 9.52 ? 12 PRO B HD3 1 ATOM 3548 N N . ARG B 1 13 ? -6.197 9.468 11.842 1.00 8.02 ? 13 ARG B N 1 ATOM 3549 C CA . ARG B 1 13 ? -5.608 10.784 11.649 1.00 8.74 ? 13 ARG B CA 1 ATOM 3550 C C . ARG B 1 13 ? -6.029 11.682 12.789 1.00 10.16 ? 13 ARG B C 1 ATOM 3551 O O . ARG B 1 13 ? -7.082 11.479 13.385 1.00 14.04 ? 13 ARG B O 1 ATOM 3552 C CB . ARG B 1 13 ? -6.094 11.389 10.328 1.00 13.00 ? 13 ARG B CB 1 ATOM 3553 C CG . ARG B 1 13 ? -7.602 11.420 10.330 1.00 23.30 ? 13 ARG B CG 1 ATOM 3554 C CD . ARG B 1 13 ? -8.227 12.641 9.652 1.00 30.93 ? 13 ARG B CD 1 ATOM 3555 N NE . ARG B 1 13 ? -9.657 12.805 9.980 1.00 15.40 ? 13 ARG B NE 1 ATOM 3556 C CZ . ARG B 1 13 ? -10.590 13.117 9.086 1.00 34.07 ? 13 ARG B CZ 1 ATOM 3557 N NH1 . ARG B 1 13 ? -10.265 13.284 7.803 1.00 41.97 ? 13 ARG B NH1 1 ATOM 3558 N NH2 . ARG B 1 13 ? -11.850 13.255 9.467 1.00 37.13 ? 13 ARG B NH2 1 ATOM 3559 H H . ARG B 1 13 ? -6.907 9.465 12.327 1.00 9.62 ? 13 ARG B H 1 ATOM 3560 H HA . ARG B 1 13 ? -4.630 10.718 11.634 1.00 10.47 ? 13 ARG B HA 1 ATOM 3561 H HB2 . ARG B 1 13 ? -5.763 12.297 10.242 1.00 15.59 ? 13 ARG B HB2 1 ATOM 3562 H HB3 . ARG B 1 13 ? -5.793 10.842 9.586 1.00 15.59 ? 13 ARG B HB3 1 ATOM 3563 H HG2 . ARG B 1 13 ? -7.927 10.631 9.868 1.00 27.94 ? 13 ARG B HG2 1 ATOM 3564 H HG3 . ARG B 1 13 ? -7.909 11.407 11.250 1.00 27.94 ? 13 ARG B HG3 1 ATOM 3565 H HD2 . ARG B 1 13 ? -7.759 13.439 9.944 1.00 37.10 ? 13 ARG B HD2 1 ATOM 3566 H HD3 . ARG B 1 13 ? -8.149 12.543 8.690 1.00 37.10 ? 13 ARG B HD3 1 ATOM 3567 H HE . ARG B 1 13 ? -9.914 12.782 10.915 1.00 18.47 ? 13 ARG B HE 1 ATOM 3568 H HH11 . ARG B 1 13 ? -9.447 13.197 7.552 1.00 50.35 ? 13 ARG B HH11 1 ATOM 3569 H HH12 . ARG B 1 13 ? -10.873 13.483 7.228 1.00 50.35 ? 13 ARG B HH12 1 ATOM 3570 H HH21 . ARG B 1 13 ? -12.065 13.144 10.292 1.00 44.55 ? 13 ARG B HH21 1 ATOM 3571 H HH22 . ARG B 1 13 ? -12.455 13.450 8.888 1.00 44.55 ? 13 ARG B HH22 1 ATOM 3572 N N . GLU B 1 14 ? -5.197 12.679 13.069 1.00 8.69 ? 14 GLU B N 1 ATOM 3573 C CA . GLU B 1 14 ? -5.509 13.692 14.043 1.00 8.33 ? 14 GLU B CA 1 ATOM 3574 C C . GLU B 1 14 ? -6.624 14.584 13.532 1.00 9.18 ? 14 GLU B C 1 ATOM 3575 O O . GLU B 1 14 ? -6.641 14.968 12.350 1.00 11.18 ? 14 GLU B O 1 ATOM 3576 C CB . GLU B 1 14 ? -4.224 14.477 14.270 1.00 17.09 ? 14 GLU B CB 1 ATOM 3577 C CG . GLU B 1 14 ? -4.279 15.731 14.998 1.00 25.89 ? 14 GLU B CG 1 ATOM 3578 C CD . GLU B 1 14 ? -2.868 16.238 15.169 1.00 22.00 ? 14 GLU B CD 1 ATOM 3579 O OE1 . GLU B 1 14 ? -2.357 17.007 14.304 1.00 28.65 ? 14 GLU B OE1 1 ATOM 3580 O OE2 . GLU B 1 14 ? -2.257 15.795 16.122 1.00 19.38 ? 14 GLU B OE2 1 ATOM 3581 H H . GLU B 1 14 ? -4.431 12.786 12.694 1.00 10.41 ? 14 GLU B H 1 ATOM 3582 H HA . GLU B 1 14 ? -5.788 13.277 14.886 1.00 9.98 ? 14 GLU B HA 1 ATOM 3583 H HB2 . GLU B 1 14 ? -3.610 13.902 14.754 1.00 20.50 ? 14 GLU B HB2 1 ATOM 3584 H HB3 . GLU B 1 14 ? -3.845 14.677 13.400 1.00 20.50 ? 14 GLU B HB3 1 ATOM 3585 H HG2 . GLU B 1 14 ? -4.788 16.384 14.493 1.00 31.05 ? 14 GLU B HG2 1 ATOM 3586 H HG3 . GLU B 1 14 ? -4.670 15.588 15.874 1.00 31.05 ? 14 GLU B HG3 1 ATOM 3587 N N . SER B 1 15 ? -7.523 14.925 14.430 1.00 8.64 ? 15 SER B N 1 ATOM 3588 C CA . SER B 1 15 ? -8.678 15.755 14.092 1.00 9.41 ? 15 SER B CA 1 ATOM 3589 C C . SER B 1 15 ? -9.309 16.256 15.372 1.00 9.47 ? 15 SER B C 1 ATOM 3590 O O . SER B 1 15 ? -8.959 15.795 16.457 1.00 8.54 ? 15 SER B O 1 ATOM 3591 C CB . SER B 1 15 ? -9.741 14.939 13.353 1.00 9.43 ? 15 SER B CB 1 ATOM 3592 O OG . SER B 1 15 ? -10.497 14.167 14.251 1.00 10.22 ? 15 SER B OG 1 ATOM 3593 H H . SER B 1 15 ? -7.493 14.690 15.256 1.00 10.35 ? 15 SER B H 1 ATOM 3594 H HA . SER B 1 15 ? -8.406 16.518 13.540 1.00 11.28 ? 15 SER B HA 1 ATOM 3595 H HB2 . SER B 1 15 ? -10.334 15.545 12.883 1.00 11.31 ? 15 SER B HB2 1 ATOM 3596 H HB3 . SER B 1 15 ? -9.302 14.348 12.722 1.00 11.31 ? 15 SER B HB3 1 ATOM 3597 H HG . SER B 1 15 ? -10.233 14.291 15.018 1.00 12.25 ? 15 SER B HG 1 ATOM 3598 N N . VAL B 1 16 ? -10.273 17.172 15.251 1.00 8.14 ? 16 VAL B N 1 ATOM 3599 C CA . VAL B 1 16 ? -11.077 17.596 16.389 1.00 8.75 ? 16 VAL B CA 1 ATOM 3600 C C . VAL B 1 16 ? -12.473 16.983 16.318 1.00 11.70 ? 16 VAL B C 1 ATOM 3601 O O . VAL B 1 16 ? -13.384 17.406 17.041 1.00 14.92 ? 16 VAL B O 1 ATOM 3602 C CB . VAL B 1 16 ? -11.127 19.145 16.492 1.00 10.04 ? 16 VAL B CB 1 ATOM 3603 C CG1 . VAL B 1 16 ? -12.028 19.742 15.462 1.00 13.72 ? 16 VAL B CG1 1 ATOM 3604 C CG2 . VAL B 1 16 ? -11.568 19.559 17.884 1.00 13.87 ? 16 VAL B CG2 1 ATOM 3605 H H . VAL B 1 16 ? -10.479 17.563 14.513 1.00 9.76 ? 16 VAL B H 1 ATOM 3606 H HA . VAL B 1 16 ? -10.653 17.263 17.207 1.00 10.49 ? 16 VAL B HA 1 ATOM 3607 H HB . VAL B 1 16 ? -10.226 19.500 16.345 1.00 12.03 ? 16 VAL B HB 1 ATOM 3608 H HG11 . VAL B 1 16 ? -12.028 20.697 15.564 1.00 16.45 ? 16 VAL B HG11 1 ATOM 3609 H HG12 . VAL B 1 16 ? -11.705 19.505 14.590 1.00 16.45 ? 16 VAL B HG12 1 ATOM 3610 H HG13 . VAL B 1 16 ? -12.916 19.400 15.588 1.00 16.45 ? 16 VAL B HG13 1 ATOM 3611 H HG21 . VAL B 1 16 ? -11.594 20.518 17.931 1.00 16.63 ? 16 VAL B HG21 1 ATOM 3612 H HG22 . VAL B 1 16 ? -12.441 19.199 18.055 1.00 16.63 ? 16 VAL B HG22 1 ATOM 3613 H HG23 . VAL B 1 16 ? -10.941 19.217 18.525 1.00 16.63 ? 16 VAL B HG23 1 ATOM 3614 N N . THR B 1 17 ? -12.675 16.003 15.467 1.00 8.24 ? 17 THR B N 1 ATOM 3615 C CA A THR B 1 17 ? -13.975 15.416 15.207 0.61 8.97 ? 17 THR B CA 1 ATOM 3616 C CA B THR B 1 17 ? -14.004 15.424 15.340 0.39 8.51 ? 17 THR B CA 1 ATOM 3617 C C . THR B 1 17 ? -14.107 13.905 15.379 1.00 10.30 ? 17 THR B C 1 ATOM 3618 O O . THR B 1 17 ? -15.130 13.403 15.847 1.00 13.41 ? 17 THR B O 1 ATOM 3619 C CB A THR B 1 17 ? -14.319 15.688 13.740 0.61 10.30 ? 17 THR B CB 1 ATOM 3620 C CB B THR B 1 17 ? -14.711 15.891 14.053 0.39 14.93 ? 17 THR B CB 1 ATOM 3621 O OG1 A THR B 1 17 ? -14.401 17.090 13.581 0.61 10.28 ? 17 THR B OG1 1 ATOM 3622 O OG1 B THR B 1 17 ? -13.866 15.641 12.926 0.39 21.42 ? 17 THR B OG1 1 ATOM 3623 C CG2 A THR B 1 17 ? -15.635 15.056 13.341 0.61 11.87 ? 17 THR B CG2 1 ATOM 3624 C CG2 B THR B 1 17 ? -15.028 17.353 14.164 0.39 12.00 ? 17 THR B CG2 1 ATOM 3625 H H A THR B 1 17 ? -12.045 15.642 15.006 0.61 9.87 ? 17 THR B H 1 ATOM 3626 H H B THR B 1 17 ? -12.076 15.655 14.958 0.39 9.87 ? 17 THR B H 1 ATOM 3627 H HA A THR B 1 17 ? -14.648 15.852 15.770 0.61 10.75 ? 17 THR B HA 1 ATOM 3628 H HA B THR B 1 17 ? -14.540 15.757 16.090 0.39 10.20 ? 17 THR B HA 1 ATOM 3629 H HB A THR B 1 17 ? -13.618 15.335 13.170 0.61 12.35 ? 17 THR B HB 1 ATOM 3630 H HB B THR B 1 17 ? -15.543 15.404 13.946 0.39 17.91 ? 17 THR B HB 1 ATOM 3631 H HG1 A THR B 1 17 ? -14.584 17.274 12.803 0.61 12.32 ? 17 THR B HG1 1 ATOM 3632 H HG1 B THR B 1 17 ? -13.705 14.839 12.869 0.39 25.69 ? 17 THR B HG1 1 ATOM 3633 H HG21 A THR B 1 17 ? -15.822 15.245 12.418 0.61 14.23 ? 17 THR B HG21 1 ATOM 3634 H HG21 B THR B 1 17 ? -15.469 17.654 13.366 0.39 14.39 ? 17 THR B HG21 1 ATOM 3635 H HG22 A THR B 1 17 ? -15.592 14.105 13.463 0.61 14.23 ? 17 THR B HG22 1 ATOM 3636 H HG22 B THR B 1 17 ? -15.604 17.507 14.916 0.39 14.39 ? 17 THR B HG22 1 ATOM 3637 H HG23 A THR B 1 17 ? -16.345 15.409 13.881 0.61 14.23 ? 17 THR B HG23 1 ATOM 3638 H HG23 B THR B 1 17 ? -14.219 17.855 14.282 0.39 14.39 ? 17 THR B HG23 1 ATOM 3639 N N . ASP B 1 18 ? -13.101 13.163 14.920 1.00 8.13 ? 18 ASP B N 1 ATOM 3640 C CA . ASP B 1 18 ? -13.239 11.712 14.827 1.00 8.47 ? 18 ASP B CA 1 ATOM 3641 C C . ASP B 1 18 ? -13.340 11.092 16.212 1.00 7.99 ? 18 ASP B C 1 ATOM 3642 O O . ASP B 1 18 ? -12.490 11.314 17.043 1.00 7.08 ? 18 ASP B O 1 ATOM 3643 C CB . ASP B 1 18 ? -12.040 11.095 14.083 1.00 8.97 ? 18 ASP B CB 1 ATOM 3644 C CG . ASP B 1 18 ? -11.766 11.740 12.724 1.00 9.05 ? 18 ASP B CG 1 ATOM 3645 O OD1 . ASP B 1 18 ? -12.755 12.249 12.102 1.00 11.19 ? 18 ASP B OD1 1 ATOM 3646 O OD2 . ASP B 1 18 ? -10.582 11.724 12.279 1.00 11.91 ? 18 ASP B OD2 1 ATOM 3647 H H . ASP B 1 18 ? -12.340 13.470 14.660 1.00 9.74 ? 18 ASP B H 1 ATOM 3648 H HA . ASP B 1 18 ? -14.055 11.495 14.331 1.00 10.15 ? 18 ASP B HA 1 ATOM 3649 H HB2 . ASP B 1 18 ? -11.245 11.200 14.628 1.00 10.75 ? 18 ASP B HB2 1 ATOM 3650 H HB3 . ASP B 1 18 ? -12.215 10.152 13.935 1.00 10.75 ? 18 ASP B HB3 1 ATOM 3651 N N . HIS B 1 19 ? -14.383 10.302 16.460 1.00 7.80 ? 19 HIS B N 1 ATOM 3652 C CA . HIS B 1 19 ? -14.562 9.690 17.765 1.00 7.25 ? 19 HIS B CA 1 ATOM 3653 C C . HIS B 1 19 ? -15.546 8.547 17.718 1.00 7.27 ? 19 HIS B C 1 ATOM 3654 O O . HIS B 1 19 ? -16.306 8.389 16.769 1.00 8.97 ? 19 HIS B O 1 ATOM 3655 C CB . HIS B 1 19 ? -14.965 10.712 18.840 1.00 8.24 ? 19 HIS B CB 1 ATOM 3656 C CG . HIS B 1 19 ? -16.357 11.260 18.714 1.00 8.75 ? 19 HIS B CG 1 ATOM 3657 N ND1 . HIS B 1 19 ? -16.685 12.239 17.801 1.00 10.27 ? 19 HIS B ND1 1 ATOM 3658 C CD2 . HIS B 1 19 ? -17.483 11.009 19.419 1.00 9.39 ? 19 HIS B CD2 1 ATOM 3659 C CE1 . HIS B 1 19 ? -17.964 12.567 17.952 1.00 10.18 ? 19 HIS B CE1 1 ATOM 3660 N NE2 . HIS B 1 19 ? -18.475 11.832 18.925 1.00 13.40 ? 19 HIS B NE2 1 ATOM 3661 H H . HIS B 1 19 ? -14.996 10.107 15.889 1.00 9.35 ? 19 HIS B H 1 ATOM 3662 H HA . HIS B 1 19 ? -13.701 9.313 18.040 1.00 8.68 ? 19 HIS B HA 1 ATOM 3663 H HB2 . HIS B 1 19 ? -14.896 10.287 19.709 1.00 9.88 ? 19 HIS B HB2 1 ATOM 3664 H HB3 . HIS B 1 19 ? -14.351 11.462 18.797 1.00 9.88 ? 19 HIS B HB3 1 ATOM 3665 H HD1 . HIS B 1 19 ? -16.143 12.594 17.235 1.00 12.32 ? 19 HIS B HD1 1 ATOM 3666 H HD2 . HIS B 1 19 ? -17.572 10.398 20.115 1.00 11.26 ? 19 HIS B HD2 1 ATOM 3667 H HE1 . HIS B 1 19 ? -18.429 13.190 17.441 1.00 12.20 ? 19 HIS B HE1 1 ATOM 3668 N N . VAL B 1 20 ? -15.553 7.772 18.794 1.00 7.25 ? 20 VAL B N 1 ATOM 3669 C CA . VAL B 1 20 ? -16.569 6.748 18.999 1.00 6.99 ? 20 VAL B CA 1 ATOM 3670 C C . VAL B 1 20 ? -17.265 7.047 20.321 1.00 7.53 ? 20 VAL B C 1 ATOM 3671 O O . VAL B 1 20 ? -16.621 7.254 21.361 1.00 8.45 ? 20 VAL B O 1 ATOM 3672 C CB . VAL B 1 20 ? -15.964 5.350 19.069 1.00 7.32 ? 20 VAL B CB 1 ATOM 3673 C CG1 . VAL B 1 20 ? -17.030 4.291 19.342 1.00 10.00 ? 20 VAL B CG1 1 ATOM 3674 C CG2 . VAL B 1 20 ? -15.315 5.021 17.772 1.00 8.31 ? 20 VAL B CG2 1 ATOM 3675 H H . VAL B 1 20 ? -14.973 7.819 19.428 1.00 8.69 ? 20 VAL B H 1 ATOM 3676 H HA . VAL B 1 20 ? -17.229 6.777 18.274 1.00 8.38 ? 20 VAL B HA 1 ATOM 3677 H HB . VAL B 1 20 ? -15.290 5.312 19.779 1.00 8.77 ? 20 VAL B HB 1 ATOM 3678 H HG11 . VAL B 1 20 ? -16.611 3.428 19.379 1.00 11.99 ? 20 VAL B HG11 1 ATOM 3679 H HG12 . VAL B 1 20 ? -17.454 4.485 20.181 1.00 11.99 ? 20 VAL B HG12 1 ATOM 3680 H HG13 . VAL B 1 20 ? -17.678 4.311 18.634 1.00 11.99 ? 20 VAL B HG13 1 ATOM 3681 H HG21 . VAL B 1 20 ? -14.938 4.140 17.826 1.00 9.95 ? 20 VAL B HG21 1 ATOM 3682 H HG22 . VAL B 1 20 ? -15.975 5.053 17.076 1.00 9.95 ? 20 VAL B HG22 1 ATOM 3683 H HG23 . VAL B 1 20 ? -14.624 5.664 17.598 1.00 9.95 ? 20 VAL B HG23 1 ATOM 3684 N N . ASN B 1 21 ? -18.605 7.045 20.302 1.00 7.53 ? 21 ASN B N 1 ATOM 3685 C CA . ASN B 1 21 ? -19.365 7.071 21.545 1.00 6.96 ? 21 ASN B CA 1 ATOM 3686 C C . ASN B 1 21 ? -19.627 5.652 22.001 1.00 8.20 ? 21 ASN B C 1 ATOM 3687 O O . ASN B 1 21 ? -20.047 4.804 21.210 1.00 10.05 ? 21 ASN B O 1 ATOM 3688 C CB . ASN B 1 21 ? -20.713 7.740 21.309 1.00 9.90 ? 21 ASN B CB 1 ATOM 3689 C CG . ASN B 1 21 ? -20.576 9.172 20.829 1.00 11.76 ? 21 ASN B CG 1 ATOM 3690 O OD1 . ASN B 1 21 ? -19.700 9.899 21.273 1.00 12.43 ? 21 ASN B OD1 1 ATOM 3691 N ND2 . ASN B 1 21 ? -21.479 9.600 19.953 1.00 14.95 ? 21 ASN B ND2 1 ATOM 3692 H H . ASN B 1 21 ? -19.086 7.029 19.590 1.00 9.03 ? 21 ASN B H 1 ATOM 3693 H HA . ASN B 1 21 ? -18.874 7.556 22.241 1.00 8.34 ? 21 ASN B HA 1 ATOM 3694 H HB2 . ASN B 1 21 ? -21.200 7.242 20.634 1.00 11.87 ? 21 ASN B HB2 1 ATOM 3695 H HB3 . ASN B 1 21 ? -21.213 7.749 22.141 1.00 11.87 ? 21 ASN B HB3 1 ATOM 3696 H HD21 . ASN B 1 21 ? -21.435 10.518 19.612 1.00 17.93 ? 21 ASN B HD21 1 ATOM 3697 H HD22 . ASN B 1 21 ? -22.190 8.998 19.648 1.00 17.93 ? 21 ASN B HD22 1 ATOM 3698 N N . LEU B 1 22 ? -19.371 5.395 23.270 1.00 8.63 ? 22 LEU B N 1 ATOM 3699 C CA . LEU B 1 22 ? -19.670 4.082 23.857 1.00 10.27 ? 22 LEU B CA 1 ATOM 3700 C C . LEU B 1 22 ? -20.875 4.231 24.768 1.00 9.21 ? 22 LEU B C 1 ATOM 3701 O O . LEU B 1 22 ? -20.936 5.149 25.581 1.00 10.97 ? 22 LEU B O 1 ATOM 3702 C CB . LEU B 1 22 ? -18.503 3.576 24.680 1.00 8.09 ? 22 LEU B CB 1 ATOM 3703 C CG . LEU B 1 22 ? -17.157 3.436 23.942 1.00 8.19 ? 22 LEU B CG 1 ATOM 3704 C CD1 . LEU B 1 22 ? -16.114 2.906 24.875 1.00 8.35 ? 22 LEU B CD1 1 ATOM 3705 C CD2 . LEU B 1 22 ? -17.317 2.531 22.742 1.00 12.48 ? 22 LEU B CD2 1 ATOM 3706 H H . LEU B 1 22 ? -19.024 5.957 23.820 1.00 10.34 ? 22 LEU B H 1 ATOM 3707 H HA . LEU B 1 22 ? -19.875 3.433 23.152 1.00 12.32 ? 22 LEU B HA 1 ATOM 3708 H HB2 . LEU B 1 22 ? -18.365 4.188 25.419 1.00 9.70 ? 22 LEU B HB2 1 ATOM 3709 H HB3 . LEU B 1 22 ? -18.734 2.699 25.027 1.00 9.70 ? 22 LEU B HB3 1 ATOM 3710 H HG . LEU B 1 22 ? -16.870 4.309 23.630 1.00 9.81 ? 22 LEU B HG 1 ATOM 3711 H HD11 . LEU B 1 22 ? -15.283 2.825 24.401 1.00 10.01 ? 22 LEU B HD11 1 ATOM 3712 H HD12 . LEU B 1 22 ? -16.014 3.514 25.610 1.00 10.01 ? 22 LEU B HD12 1 ATOM 3713 H HD13 . LEU B 1 22 ? -16.393 2.045 25.197 1.00 10.01 ? 22 LEU B HD13 1 ATOM 3714 H HD21 . LEU B 1 22 ? -16.472 2.454 22.294 1.00 14.96 ? 22 LEU B HD21 1 ATOM 3715 H HD22 . LEU B 1 22 ? -17.610 1.666 23.041 1.00 14.96 ? 22 LEU B HD22 1 ATOM 3716 H HD23 . LEU B 1 22 ? -17.969 2.911 22.149 1.00 14.96 ? 22 LEU B HD23 1 ATOM 3717 N N . ILE B 1 23 ? -21.864 3.357 24.607 1.00 8.84 ? 23 ILE B N 1 ATOM 3718 C CA . ILE B 1 23 ? -23.143 3.506 25.303 1.00 10.27 ? 23 ILE B CA 1 ATOM 3719 C C . ILE B 1 23 ? -23.320 2.367 26.301 1.00 10.69 ? 23 ILE B C 1 ATOM 3720 O O . ILE B 1 23 ? -23.324 1.198 25.920 1.00 12.78 ? 23 ILE B O 1 ATOM 3721 C CB . ILE B 1 23 ? -24.287 3.526 24.274 1.00 12.13 ? 23 ILE B CB 1 ATOM 3722 C CG1 . ILE B 1 23 ? -24.079 4.686 23.269 1.00 16.50 ? 23 ILE B CG1 1 ATOM 3723 C CG2 . ILE B 1 23 ? -25.635 3.608 25.009 1.00 15.31 ? 23 ILE B CG2 1 ATOM 3724 C CD1 . ILE B 1 23 ? -24.950 4.552 22.030 1.00 26.25 ? 23 ILE B CD1 1 ATOM 3725 H H . ILE B 1 23 ? -21.821 2.665 24.098 1.00 10.59 ? 23 ILE B H 1 ATOM 3726 H HA . ILE B 1 23 ? -23.152 4.354 25.794 1.00 12.31 ? 23 ILE B HA 1 ATOM 3727 H HB . ILE B 1 23 ? -24.264 2.691 23.781 1.00 14.54 ? 23 ILE B HB 1 ATOM 3728 H HG12 . ILE B 1 23 ? -24.301 5.524 23.703 1.00 19.78 ? 23 ILE B HG12 1 ATOM 3729 H HG13 . ILE B 1 23 ? -23.152 4.695 22.984 1.00 19.78 ? 23 ILE B HG13 1 ATOM 3730 H HG21 . ILE B 1 23 ? -26.343 3.620 24.362 1.00 18.36 ? 23 ILE B HG21 1 ATOM 3731 H HG22 . ILE B 1 23 ? -25.726 2.842 25.581 1.00 18.36 ? 23 ILE B HG22 1 ATOM 3732 H HG23 . ILE B 1 23 ? -25.656 4.413 25.533 1.00 18.36 ? 23 ILE B HG23 1 ATOM 3733 H HD11 . ILE B 1 23 ? -24.779 5.295 21.447 1.00 31.49 ? 23 ILE B HD11 1 ATOM 3734 H HD12 . ILE B 1 23 ? -24.735 3.729 21.585 1.00 31.49 ? 23 ILE B HD12 1 ATOM 3735 H HD13 . ILE B 1 23 ? -25.873 4.550 22.296 1.00 31.49 ? 23 ILE B HD13 1 ATOM 3736 N N . THR B 1 24 ? -23.450 2.702 27.587 1.00 12.09 ? 24 THR B N 1 ATOM 3737 C CA . THR B 1 24 ? -23.777 1.708 28.591 1.00 13.57 ? 24 THR B CA 1 ATOM 3738 C C . THR B 1 24 ? -25.269 1.891 28.992 1.00 10.72 ? 24 THR B C 1 ATOM 3739 O O . THR B 1 24 ? -25.721 2.995 29.196 1.00 16.02 ? 24 THR B O 1 ATOM 3740 C CB . THR B 1 24 ? -22.830 1.800 29.803 1.00 12.71 ? 24 THR B CB 1 ATOM 3741 O OG1 . THR B 1 24 ? -23.200 0.804 30.771 1.00 12.52 ? 24 THR B OG1 1 ATOM 3742 C CG2 . THR B 1 24 ? -22.918 3.172 30.463 1.00 16.05 ? 24 THR B CG2 1 ATOM 3743 H H . THR B 1 24 ? -23.352 3.499 27.896 1.00 14.50 ? 24 THR B H 1 ATOM 3744 H HA . THR B 1 24 ? -23.677 0.816 28.199 1.00 16.27 ? 24 THR B HA 1 ATOM 3745 H HB . THR B 1 24 ? -21.916 1.651 29.515 1.00 15.24 ? 24 THR B HB 1 ATOM 3746 H HG1 . THR B 1 24 ? -23.145 0.056 30.440 1.00 15.01 ? 24 THR B HG1 1 ATOM 3747 H HG21 . THR B 1 24 ? -22.323 3.213 31.215 1.00 19.25 ? 24 THR B HG21 1 ATOM 3748 H HG22 . THR B 1 24 ? -22.673 3.855 29.834 1.00 19.25 ? 24 THR B HG22 1 ATOM 3749 H HG23 . THR B 1 24 ? -23.815 3.334 30.766 1.00 19.25 ? 24 THR B HG23 1 ATOM 3750 N N . PRO B 1 25 ? -25.980 0.774 29.203 1.00 17.85 ? 25 PRO B N 1 ATOM 3751 C CA . PRO B 1 25 ? -27.348 0.826 29.730 1.00 20.03 ? 25 PRO B CA 1 ATOM 3752 C C . PRO B 1 25 ? -27.346 0.722 31.223 1.00 23.13 ? 25 PRO B C 1 ATOM 3753 O O . PRO B 1 25 ? -28.391 0.898 31.871 1.00 21.05 ? 25 PRO B O 1 ATOM 3754 C CB . PRO B 1 25 ? -27.967 -0.453 29.179 1.00 24.23 ? 25 PRO B CB 1 ATOM 3755 C CG . PRO B 1 25 ? -26.791 -1.406 29.172 1.00 17.50 ? 25 PRO B CG 1 ATOM 3756 C CD . PRO B 1 25 ? -25.599 -0.567 28.766 1.00 21.51 ? 25 PRO B CD 1 ATOM 3757 H HA . PRO B 1 25 ? -27.836 1.619 29.425 1.00 24.03 ? 25 PRO B HA 1 ATOM 3758 H HB2 . PRO B 1 25 ? -28.669 -0.766 29.771 1.00 29.07 ? 25 PRO B HB2 1 ATOM 3759 H HB3 . PRO B 1 25 ? -28.302 -0.302 28.282 1.00 29.07 ? 25 PRO B HB3 1 ATOM 3760 H HG2 . PRO B 1 25 ? -26.664 -1.774 30.061 1.00 20.99 ? 25 PRO B HG2 1 ATOM 3761 H HG3 . PRO B 1 25 ? -26.949 -2.113 28.527 1.00 20.99 ? 25 PRO B HG3 1 ATOM 3762 H HD2 . PRO B 1 25 ? -24.801 -0.862 29.232 1.00 25.81 ? 25 PRO B HD2 1 ATOM 3763 H HD3 . PRO B 1 25 ? -25.480 -0.590 27.804 1.00 25.81 ? 25 PRO B HD3 1 ATOM 3764 N N . LEU B 1 26 ? -26.187 0.418 31.793 1.00 18.36 ? 26 LEU B N 1 ATOM 3765 C CA . LEU B 1 26 ? -26.164 0.315 33.226 1.00 17.41 ? 26 LEU B CA 1 ATOM 3766 C C . LEU B 1 26 ? -26.150 1.736 33.642 1.00 27.69 ? 26 LEU B C 1 ATOM 3767 O O . LEU B 1 26 ? -25.243 2.489 33.284 1.00 54.63 ? 26 LEU B O 1 ATOM 3768 C CB . LEU B 1 26 ? -24.924 -0.425 33.702 1.00 21.33 ? 26 LEU B CB 1 ATOM 3769 C CG . LEU B 1 26 ? -24.601 -0.489 35.184 1.00 28.58 ? 26 LEU B CG 1 ATOM 3770 C CD1 . LEU B 1 26 ? -23.661 -1.660 35.398 1.00 27.27 ? 26 LEU B CD1 1 ATOM 3771 C CD2 . LEU B 1 26 ? -24.028 0.839 35.611 1.00 26.09 ? 26 LEU B CD2 1 ATOM 3772 H H . LEU B 1 26 ? -25.441 0.274 31.391 1.00 22.02 ? 26 LEU B H 1 ATOM 3773 H HA . LEU B 1 26 ? -26.972 -0.127 33.561 1.00 20.88 ? 26 LEU B HA 1 ATOM 3774 H HB2 . LEU B 1 26 ? -24.998 -1.342 33.396 1.00 25.58 ? 26 LEU B HB2 1 ATOM 3775 H HB3 . LEU B 1 26 ? -24.158 -0.015 33.272 1.00 25.58 ? 26 LEU B HB3 1 ATOM 3776 H HG . LEU B 1 26 ? -25.415 -0.651 35.687 1.00 34.29 ? 26 LEU B HG 1 ATOM 3777 H HD11 . LEU B 1 26 ? -23.443 -1.719 36.331 1.00 32.72 ? 26 LEU B HD11 1 ATOM 3778 H HD12 . LEU B 1 26 ? -24.096 -2.466 35.110 1.00 32.72 ? 26 LEU B HD12 1 ATOM 3779 H HD13 . LEU B 1 26 ? -22.863 -1.517 34.883 1.00 32.72 ? 26 LEU B HD13 1 ATOM 3780 H HD21 . LEU B 1 26 ? -23.822 0.803 36.548 1.00 31.29 ? 26 LEU B HD21 1 ATOM 3781 H HD22 . LEU B 1 26 ? -23.229 1.011 35.107 1.00 31.29 ? 26 LEU B HD22 1 ATOM 3782 H HD23 . LEU B 1 26 ? -24.676 1.527 35.444 1.00 31.29 ? 26 LEU B HD23 1 ATOM 3783 N N . GLU B 1 27 ? -27.153 2.147 34.383 1.00 14.89 ? 27 GLU B N 1 ATOM 3784 C CA . GLU B 1 27 ? -27.217 3.545 34.771 1.00 17.74 ? 27 GLU B CA 1 ATOM 3785 C C . GLU B 1 27 ? -27.195 3.612 36.273 1.00 21.17 ? 27 GLU B C 1 ATOM 3786 O O . GLU B 1 27 ? -28.182 3.313 36.970 1.00 25.19 ? 27 GLU B O 1 ATOM 3787 C CB . GLU B 1 27 ? -28.453 4.253 34.242 1.00 16.79 ? 27 GLU B CB 1 ATOM 3788 C CG . GLU B 1 27 ? -28.521 5.695 34.698 1.00 21.82 ? 27 GLU B CG 1 ATOM 3789 C CD . GLU B 1 27 ? -29.868 6.332 34.408 1.00 16.76 ? 27 GLU B CD 1 ATOM 3790 O OE1 . GLU B 1 27 ? -30.615 6.525 35.384 1.00 20.41 ? 27 GLU B OE1 1 ATOM 3791 O OE2 . GLU B 1 27 ? -30.200 6.569 33.213 1.00 18.93 ? 27 GLU B OE2 1 ATOM 3792 H H . GLU B 1 27 ? -27.798 1.656 34.671 1.00 17.85 ? 27 GLU B H 1 ATOM 3793 H HA . GLU B 1 27 ? -26.426 4.012 34.430 1.00 21.28 ? 27 GLU B HA 1 ATOM 3794 H HB2 . GLU B 1 27 ? -28.435 4.242 33.273 1.00 20.13 ? 27 GLU B HB2 1 ATOM 3795 H HB3 . GLU B 1 27 ? -29.244 3.796 34.567 1.00 20.13 ? 27 GLU B HB3 1 ATOM 3796 H HG2 . GLU B 1 27 ? -28.370 5.732 35.655 1.00 26.17 ? 27 GLU B HG2 1 ATOM 3797 H HG3 . GLU B 1 27 ? -27.840 6.206 34.233 1.00 26.17 ? 27 GLU B HG3 1 ATOM 3798 N N . LYS B 1 28 ? -26.054 4.007 36.788 1.00 14.56 ? 28 LYS B N 1 ATOM 3799 C CA . LYS B 1 28 ? -25.879 4.130 38.208 1.00 15.10 ? 28 LYS B CA 1 ATOM 3800 C C . LYS B 1 28 ? -24.588 4.852 38.475 1.00 16.21 ? 28 LYS B C 1 ATOM 3801 O O . LYS B 1 28 ? -23.683 4.831 37.634 1.00 15.20 ? 28 LYS B O 1 ATOM 3802 C CB . LYS B 1 28 ? -25.842 2.767 38.883 1.00 19.11 ? 28 LYS B CB 1 ATOM 3803 C CG . LYS B 1 28 ? -24.746 1.863 38.503 1.00 27.45 ? 28 LYS B CG 1 ATOM 3804 C CD . LYS B 1 28 ? -24.754 0.706 39.484 1.00 40.61 ? 28 LYS B CD 1 ATOM 3805 C CE . LYS B 1 28 ? -23.797 -0.402 39.140 1.00 36.36 ? 28 LYS B CE 1 ATOM 3806 N NZ . LYS B 1 28 ? -23.794 -1.356 40.296 1.00 32.61 ? 28 LYS B NZ 1 ATOM 3807 H H . LYS B 1 28 ? -25.357 4.213 36.328 1.00 17.46 ? 28 LYS B H 1 ATOM 3808 H HA . LYS B 1 28 ? -26.616 4.650 38.590 1.00 18.11 ? 28 LYS B HA 1 ATOM 3809 H HB2 . LYS B 1 28 ? -25.778 2.906 39.841 1.00 22.91 ? 28 LYS B HB2 1 ATOM 3810 H HB3 . LYS B 1 28 ? -26.673 2.308 38.682 1.00 22.91 ? 28 LYS B HB3 1 ATOM 3811 H HG2 . LYS B 1 28 ? -24.892 1.520 37.607 1.00 32.92 ? 28 LYS B HG2 1 ATOM 3812 H HG3 . LYS B 1 28 ? -23.896 2.326 38.565 1.00 32.92 ? 28 LYS B HG3 1 ATOM 3813 H HD2 . LYS B 1 28 ? -24.513 1.041 40.362 1.00 48.72 ? 28 LYS B HD2 1 ATOM 3814 H HD3 . LYS B 1 28 ? -25.646 0.328 39.512 1.00 48.72 ? 28 LYS B HD3 1 ATOM 3815 H HE2 . LYS B 1 28 ? -24.098 -0.869 38.344 1.00 43.62 ? 28 LYS B HE2 1 ATOM 3816 H HE3 . LYS B 1 28 ? -22.902 -0.047 39.020 1.00 43.62 ? 28 LYS B HE3 1 ATOM 3817 H HZ1 . LYS B 1 28 ? -23.510 -0.904 41.093 1.00 39.12 ? 28 LYS B HZ1 1 ATOM 3818 H HZ2 . LYS B 1 28 ? -24.677 -1.706 40.434 1.00 39.12 ? 28 LYS B HZ2 1 ATOM 3819 H HZ3 . LYS B 1 28 ? -23.194 -2.084 40.119 1.00 39.12 ? 28 LYS B HZ3 1 ATOM 3820 N N . PRO B 1 29 ? -24.497 5.524 39.613 1.00 12.23 ? 29 PRO B N 1 ATOM 3821 C CA . PRO B 1 29 ? -23.205 6.072 40.026 1.00 10.95 ? 29 PRO B CA 1 ATOM 3822 C C . PRO B 1 29 ? -22.225 4.941 40.256 1.00 12.87 ? 29 PRO B C 1 ATOM 3823 O O . PRO B 1 29 ? -22.652 3.822 40.624 1.00 15.97 ? 29 PRO B O 1 ATOM 3824 C CB . PRO B 1 29 ? -23.490 6.772 41.351 1.00 14.85 ? 29 PRO B CB 1 ATOM 3825 C CG . PRO B 1 29 ? -24.969 6.706 41.546 1.00 18.15 ? 29 PRO B CG 1 ATOM 3826 C CD . PRO B 1 29 ? -25.520 5.647 40.665 1.00 15.81 ? 29 PRO B CD 1 ATOM 3827 H HA . PRO B 1 29 ? -22.854 6.707 39.367 1.00 13.13 ? 29 PRO B HA 1 ATOM 3828 H HB2 . PRO B 1 29 ? -23.031 6.307 42.068 1.00 17.81 ? 29 PRO B HB2 1 ATOM 3829 H HB3 . PRO B 1 29 ? -23.195 7.695 41.300 1.00 17.81 ? 29 PRO B HB3 1 ATOM 3830 H HG2 . PRO B 1 29 ? -25.157 6.496 42.474 1.00 21.77 ? 29 PRO B HG2 1 ATOM 3831 H HG3 . PRO B 1 29 ? -25.357 7.564 41.315 1.00 21.77 ? 29 PRO B HG3 1 ATOM 3832 H HD2 . PRO B 1 29 ? -25.608 4.812 41.152 1.00 18.96 ? 29 PRO B HD2 1 ATOM 3833 H HD3 . PRO B 1 29 ? -26.367 5.929 40.284 1.00 18.96 ? 29 PRO B HD3 1 ATOM 3834 N N . LEU B 1 30 ? -20.940 5.231 40.114 1.00 12.02 ? 30 LEU B N 1 ATOM 3835 C CA . LEU B 1 30 ? -19.921 4.215 40.338 1.00 12.10 ? 30 LEU B CA 1 ATOM 3836 C C . LEU B 1 30 ? -19.152 4.460 41.617 1.00 10.37 ? 30 LEU B C 1 ATOM 3837 O O . LEU B 1 30 ? -18.566 5.519 41.824 1.00 11.76 ? 30 LEU B O 1 ATOM 3838 C CB . LEU B 1 30 ? -18.943 4.172 39.163 1.00 12.04 ? 30 LEU B CB 1 ATOM 3839 C CG . LEU B 1 30 ? -19.584 3.948 37.793 1.00 15.04 ? 30 LEU B CG 1 ATOM 3840 C CD1 . LEU B 1 30 ? -18.508 4.012 36.703 1.00 16.72 ? 30 LEU B CD1 1 ATOM 3841 C CD2 . LEU B 1 30 ? -20.281 2.620 37.743 1.00 21.95 ? 30 LEU B CD2 1 ATOM 3842 H H . LEU B 1 30 ? -20.632 6.002 39.891 1.00 14.42 ? 30 LEU B H 1 ATOM 3843 H HA . LEU B 1 30 ? -20.354 3.338 40.406 1.00 14.50 ? 30 LEU B HA 1 ATOM 3844 H HB2 . LEU B 1 30 ? -18.466 5.016 39.129 1.00 14.43 ? 30 LEU B HB2 1 ATOM 3845 H HB3 . LEU B 1 30 ? -18.314 3.449 39.313 1.00 14.43 ? 30 LEU B HB3 1 ATOM 3846 H HG . LEU B 1 30 ? -20.237 4.645 37.622 1.00 18.03 ? 30 LEU B HG 1 ATOM 3847 H HD11 . LEU B 1 30 ? -18.922 3.870 35.848 1.00 20.05 ? 30 LEU B HD11 1 ATOM 3848 H HD12 . LEU B 1 30 ? -18.091 4.876 36.726 1.00 20.05 ? 30 LEU B HD12 1 ATOM 3849 H HD13 . LEU B 1 30 ? -17.855 3.328 36.869 1.00 20.05 ? 30 LEU B HD13 1 ATOM 3850 H HD21 . LEU B 1 30 ? -20.674 2.506 36.874 1.00 26.33 ? 30 LEU B HD21 1 ATOM 3851 H HD22 . LEU B 1 30 ? -19.640 1.925 37.907 1.00 26.33 ? 30 LEU B HD22 1 ATOM 3852 H HD23 . LEU B 1 30 ? -20.965 2.601 38.417 1.00 26.33 ? 30 LEU B HD23 1 ATOM 3853 N N . GLN B 1 31 ? -19.176 3.461 42.490 1.00 13.51 ? 31 GLN B N 1 ATOM 3854 C CA . GLN B 1 31 ? -18.338 3.460 43.658 1.00 13.09 ? 31 GLN B CA 1 ATOM 3855 C C . GLN B 1 31 ? -17.068 2.681 43.399 1.00 12.03 ? 31 GLN B C 1 ATOM 3856 O O . GLN B 1 31 ? -16.037 3.045 43.958 1.00 13.88 ? 31 GLN B O 1 ATOM 3857 C CB . GLN B 1 31 ? -19.064 2.817 44.832 1.00 16.23 ? 31 GLN B CB 1 ATOM 3858 C CG . GLN B 1 31 ? -20.294 3.602 45.219 1.00 22.47 ? 31 GLN B CG 1 ATOM 3859 C CD . GLN B 1 31 ? -21.125 2.874 46.255 1.00 34.19 ? 31 GLN B CD 1 ATOM 3860 O OE1 . GLN B 1 31 ? -20.647 2.585 47.344 1.00 30.88 ? 31 GLN B OE1 1 ATOM 3861 N NE2 . GLN B 1 31 ? -22.365 2.543 45.899 1.00 34.39 ? 31 GLN B NE2 1 ATOM 3862 H H . GLN B 1 31 ? -19.679 2.767 42.419 1.00 16.20 ? 31 GLN B H 1 ATOM 3863 H HA . GLN B 1 31 ? -18.102 4.381 43.898 1.00 15.69 ? 31 GLN B HA 1 ATOM 3864 H HB2 . GLN B 1 31 ? -19.341 1.921 44.585 1.00 19.47 ? 31 GLN B HB2 1 ATOM 3865 H HB3 . GLN B 1 31 ? -18.469 2.786 45.597 1.00 19.47 ? 31 GLN B HB3 1 ATOM 3866 H HG2 . GLN B 1 31 ? -20.023 4.455 45.594 1.00 26.95 ? 31 GLN B HG2 1 ATOM 3867 H HG3 . GLN B 1 31 ? -20.844 3.741 44.433 1.00 26.95 ? 31 GLN B HG3 1 ATOM 3868 H HE21 . GLN B 1 31 ? -22.876 2.128 46.453 1.00 41.26 ? 31 GLN B HE21 1 ATOM 3869 H HE22 . GLN B 1 31 ? -22.656 2.743 45.114 1.00 41.26 ? 31 GLN B HE22 1 ATOM 3870 N N . ASN B 1 32 ? -17.149 1.648 42.560 1.00 10.22 ? 32 ASN B N 1 ATOM 3871 C CA . ASN B 1 32 ? -16.006 0.796 42.201 1.00 10.29 ? 32 ASN B CA 1 ATOM 3872 C C . ASN B 1 32 ? -16.060 0.631 40.689 1.00 7.97 ? 32 ASN B C 1 ATOM 3873 O O . ASN B 1 32 ? -17.147 0.491 40.105 1.00 10.25 ? 32 ASN B O 1 ATOM 3874 C CB . ASN B 1 32 ? -16.165 -0.616 42.809 1.00 11.21 ? 32 ASN B CB 1 ATOM 3875 C CG . ASN B 1 32 ? -16.093 -0.642 44.342 1.00 14.93 ? 32 ASN B CG 1 ATOM 3876 O OD1 . ASN B 1 32 ? -15.394 0.128 44.958 1.00 13.74 ? 32 ASN B OD1 1 ATOM 3877 N ND2 . ASN B 1 32 ? -16.857 -1.568 44.934 1.00 18.17 ? 32 ASN B ND2 1 ATOM 3878 H H . ASN B 1 32 ? -17.880 1.410 42.173 1.00 12.26 ? 32 ASN B H 1 ATOM 3879 H HA . ASN B 1 32 ? -15.155 1.198 42.474 1.00 12.33 ? 32 ASN B HA 1 ATOM 3880 H HB2 . ASN B 1 32 ? -17.027 -0.974 42.547 1.00 13.44 ? 32 ASN B HB2 1 ATOM 3881 H HB3 . ASN B 1 32 ? -15.455 -1.183 42.470 1.00 13.44 ? 32 ASN B HB3 1 ATOM 3882 N N . PHE B 1 33 ? -14.911 0.603 40.022 1.00 8.65 ? 33 PHE B N 1 ATOM 3883 C CA . PHE B 1 33 ? -14.888 0.158 38.636 1.00 8.00 ? 33 PHE B CA 1 ATOM 3884 C C . PHE B 1 33 ? -13.518 -0.360 38.278 1.00 6.77 ? 33 PHE B C 1 ATOM 3885 O O . PHE B 1 33 ? -12.532 -0.049 38.952 1.00 8.45 ? 33 PHE B O 1 ATOM 3886 C CB . PHE B 1 33 ? -15.301 1.251 37.634 1.00 8.79 ? 33 PHE B CB 1 ATOM 3887 C CG . PHE B 1 33 ? -14.302 2.341 37.488 1.00 8.38 ? 33 PHE B CG 1 ATOM 3888 C CD1 . PHE B 1 33 ? -13.282 2.214 36.544 1.00 9.05 ? 33 PHE B CD1 1 ATOM 3889 C CD2 . PHE B 1 33 ? -14.357 3.485 38.268 1.00 8.61 ? 33 PHE B CD2 1 ATOM 3890 C CE1 . PHE B 1 33 ? -12.313 3.200 36.442 1.00 9.09 ? 33 PHE B CE1 1 ATOM 3891 C CE2 . PHE B 1 33 ? -13.394 4.480 38.161 1.00 8.67 ? 33 PHE B CE2 1 ATOM 3892 C CZ . PHE B 1 33 ? -12.377 4.332 37.217 1.00 9.17 ? 33 PHE B CZ 1 ATOM 3893 H H . PHE B 1 33 ? -14.146 0.831 40.342 1.00 10.37 ? 33 PHE B H 1 ATOM 3894 H HA . PHE B 1 33 ? -15.520 -0.584 38.538 1.00 9.59 ? 33 PHE B HA 1 ATOM 3895 H HB2 . PHE B 1 33 ? -15.425 0.845 36.762 1.00 10.54 ? 33 PHE B HB2 1 ATOM 3896 H HB3 . PHE B 1 33 ? -16.133 1.650 37.933 1.00 10.54 ? 33 PHE B HB3 1 ATOM 3897 H HD1 . PHE B 1 33 ? -13.222 1.446 36.024 1.00 10.85 ? 33 PHE B HD1 1 ATOM 3898 H HD2 . PHE B 1 33 ? -15.032 3.571 38.902 1.00 10.32 ? 33 PHE B HD2 1 ATOM 3899 H HE1 . PHE B 1 33 ? -11.636 3.115 35.810 1.00 10.90 ? 33 PHE B HE1 1 ATOM 3900 H HE2 . PHE B 1 33 ? -13.443 5.244 38.688 1.00 10.39 ? 33 PHE B HE2 1 ATOM 3901 H HZ . PHE B 1 33 ? -11.734 4.997 37.120 1.00 11.00 ? 33 PHE B HZ 1 ATOM 3902 N N . THR B 1 34 ? -13.485 -1.112 37.192 1.00 7.02 ? 34 THR B N 1 ATOM 3903 C CA . THR B 1 34 ? -12.251 -1.511 36.525 1.00 6.87 ? 34 THR B CA 1 ATOM 3904 C C . THR B 1 34 ? -12.493 -1.317 35.029 1.00 7.33 ? 34 THR B C 1 ATOM 3905 O O . THR B 1 34 ? -13.535 -1.698 34.505 1.00 8.34 ? 34 THR B O 1 ATOM 3906 C CB . THR B 1 34 ? -11.832 -2.974 36.788 1.00 7.53 ? 34 THR B CB 1 ATOM 3907 O OG1 . THR B 1 34 ? -11.729 -3.168 38.192 1.00 9.51 ? 34 THR B OG1 1 ATOM 3908 C CG2 . THR B 1 34 ? -10.500 -3.266 36.180 1.00 9.01 ? 34 THR B CG2 1 ATOM 3909 H H . THR B 1 34 ? -14.190 -1.417 36.806 1.00 8.41 ? 34 THR B H 1 ATOM 3910 H HA . THR B 1 34 ? -11.520 -0.921 36.804 1.00 8.24 ? 34 THR B HA 1 ATOM 3911 H HB . THR B 1 34 ? -12.490 -3.582 36.416 1.00 9.02 ? 34 THR B HB 1 ATOM 3912 H HG1 . THR B 1 34 ? -12.452 -3.019 38.549 1.00 11.40 ? 34 THR B HG1 1 ATOM 3913 H HG21 . THR B 1 34 ? -10.254 -4.178 36.352 1.00 10.80 ? 34 THR B HG21 1 ATOM 3914 H HG22 . THR B 1 34 ? -10.536 -3.126 35.231 1.00 10.80 ? 34 THR B HG22 1 ATOM 3915 H HG23 . THR B 1 34 ? -9.834 -2.687 36.557 1.00 10.80 ? 34 THR B HG23 1 ATOM 3916 N N . LEU B 1 35 ? -11.510 -0.752 34.317 1.00 7.20 ? 35 LEU B N 1 ATOM 3917 C CA . LEU B 1 35 ? -11.564 -0.583 32.880 1.00 7.03 ? 35 LEU B CA 1 ATOM 3918 C C . LEU B 1 35 ? -10.289 -1.152 32.282 1.00 7.42 ? 35 LEU B C 1 ATOM 3919 O O . LEU B 1 35 ? -9.222 -0.826 32.773 1.00 7.71 ? 35 LEU B O 1 ATOM 3920 C CB . LEU B 1 35 ? -11.627 0.928 32.586 1.00 7.88 ? 35 LEU B CB 1 ATOM 3921 C CG . LEU B 1 35 ? -11.394 1.367 31.149 1.00 7.52 ? 35 LEU B CG 1 ATOM 3922 C CD1 . LEU B 1 35 ? -12.537 0.955 30.254 1.00 10.06 ? 35 LEU B CD1 1 ATOM 3923 C CD2 . LEU B 1 35 ? -11.202 2.886 31.070 1.00 10.05 ? 35 LEU B CD2 1 ATOM 3924 H H . LEU B 1 35 ? -10.783 -0.452 34.666 1.00 8.63 ? 35 LEU B H 1 ATOM 3925 H HA . LEU B 1 35 ? -12.347 -1.034 32.500 1.00 8.43 ? 35 LEU B HA 1 ATOM 3926 H HB2 . LEU B 1 35 ? -12.506 1.248 32.843 1.00 9.44 ? 35 LEU B HB2 1 ATOM 3927 H HB3 . LEU B 1 35 ? -10.956 1.369 33.131 1.00 9.44 ? 35 LEU B HB3 1 ATOM 3928 H HG . LEU B 1 35 ? -10.586 0.945 30.817 1.00 9.01 ? 35 LEU B HG 1 ATOM 3929 H HD11 . LEU B 1 35 ? -12.353 1.249 29.358 1.00 12.06 ? 35 LEU B HD11 1 ATOM 3930 H HD12 . LEU B 1 35 ? -12.621 -0.001 30.274 1.00 12.06 ? 35 LEU B HD12 1 ATOM 3931 H HD13 . LEU B 1 35 ? -13.346 1.363 30.573 1.00 12.06 ? 35 LEU B HD13 1 ATOM 3932 H HD21 . LEU B 1 35 ? -11.057 3.135 30.154 1.00 12.05 ? 35 LEU B HD21 1 ATOM 3933 H HD22 . LEU B 1 35 ? -11.990 3.318 31.406 1.00 12.05 ? 35 LEU B HD22 1 ATOM 3934 H HD23 . LEU B 1 35 ? -10.441 3.132 31.601 1.00 12.05 ? 35 LEU B HD23 1 ATOM 3935 N N . CYS B 1 36 ? -10.413 -2.010 31.287 1.00 7.51 ? 36 CYS B N 1 ATOM 3936 C CA . CYS B 1 36 ? -9.264 -2.650 30.593 1.00 9.01 ? 36 CYS B CA 1 ATOM 3937 C C . CYS B 1 36 ? -9.449 -2.409 29.103 1.00 7.59 ? 36 CYS B C 1 ATOM 3938 O O . CYS B 1 36 ? -10.567 -2.442 28.583 1.00 8.63 ? 36 CYS B O 1 ATOM 3939 C CB . CYS B 1 36 ? -9.184 -4.194 30.837 1.00 13.58 ? 36 CYS B CB 1 ATOM 3940 S SG . CYS B 1 36 ? -8.842 -4.653 32.598 1.00 16.08 ? 36 CYS B SG 1 ATOM 3941 H H . CYS B 1 36 ? -11.174 -2.257 30.971 1.00 9.00 ? 36 CYS B H 1 ATOM 3942 H HA . CYS B 1 36 ? -8.424 -2.237 30.882 1.00 10.81 ? 36 CYS B HA 1 ATOM 3943 H HB2 . CYS B 1 36 ? -10.031 -4.595 30.586 1.00 16.28 ? 36 CYS B HB2 1 ATOM 3944 H HB3 . CYS B 1 36 ? -8.472 -4.561 30.291 1.00 16.28 ? 36 CYS B HB3 1 ATOM 3945 N N . PHE B 1 37 ? -8.350 -2.199 28.397 1.00 7.48 ? 37 PHE B N 1 ATOM 3946 C CA . PHE B 1 37 ? -8.357 -2.113 26.948 1.00 6.39 ? 37 PHE B CA 1 ATOM 3947 C C . PHE B 1 37 ? -6.939 -2.224 26.423 1.00 7.51 ? 37 PHE B C 1 ATOM 3948 O O . PHE B 1 37 ? -5.987 -2.074 27.178 1.00 7.82 ? 37 PHE B O 1 ATOM 3949 C CB . PHE B 1 37 ? -9.034 -0.825 26.450 1.00 9.43 ? 37 PHE B CB 1 ATOM 3950 C CG . PHE B 1 37 ? -8.440 0.436 27.009 1.00 8.01 ? 37 PHE B CG 1 ATOM 3951 C CD1 . PHE B 1 37 ? -7.444 1.076 26.329 1.00 9.34 ? 37 PHE B CD1 1 ATOM 3952 C CD2 . PHE B 1 37 ? -8.818 0.921 28.242 1.00 10.88 ? 37 PHE B CD2 1 ATOM 3953 C CE1 . PHE B 1 37 ? -6.856 2.219 26.844 1.00 12.02 ? 37 PHE B CE1 1 ATOM 3954 C CE2 . PHE B 1 37 ? -8.226 2.077 28.781 1.00 10.87 ? 37 PHE B CE2 1 ATOM 3955 C CZ . PHE B 1 37 ? -7.232 2.719 28.050 1.00 10.69 ? 37 PHE B CZ 1 ATOM 3956 H H . PHE B 1 37 ? -7.569 -2.101 28.743 1.00 8.96 ? 37 PHE B H 1 ATOM 3957 H HA . PHE B 1 37 ? -8.866 -2.871 26.592 1.00 7.66 ? 37 PHE B HA 1 ATOM 3958 H HB2 . PHE B 1 37 ? -8.955 -0.785 25.484 1.00 11.30 ? 37 PHE B HB2 1 ATOM 3959 H HB3 . PHE B 1 37 ? -9.970 -0.847 26.703 1.00 11.30 ? 37 PHE B HB3 1 ATOM 3960 H HD1 . PHE B 1 37 ? -7.169 0.751 25.503 1.00 11.20 ? 37 PHE B HD1 1 ATOM 3961 H HD2 . PHE B 1 37 ? -9.482 0.481 28.722 1.00 13.05 ? 37 PHE B HD2 1 ATOM 3962 H HE1 . PHE B 1 37 ? -6.192 2.651 26.357 1.00 14.41 ? 37 PHE B HE1 1 ATOM 3963 H HE2 . PHE B 1 37 ? -8.500 2.410 29.605 1.00 13.03 ? 37 PHE B HE2 1 ATOM 3964 H HZ . PHE B 1 37 ? -6.832 3.491 28.381 1.00 12.81 ? 37 PHE B HZ 1 ATOM 3965 N N . ARG B 1 38 ? -6.814 -2.459 25.125 1.00 7.60 ? 38 ARG B N 1 ATOM 3966 C CA . ARG B 1 38 ? -5.541 -2.471 24.426 1.00 8.36 ? 38 ARG B CA 1 ATOM 3967 C C . ARG B 1 38 ? -5.442 -1.249 23.534 1.00 8.14 ? 38 ARG B C 1 ATOM 3968 O O . ARG B 1 38 ? -6.431 -0.837 22.930 1.00 8.75 ? 38 ARG B O 1 ATOM 3969 C CB . ARG B 1 38 ? -5.403 -3.699 23.538 1.00 11.22 ? 38 ARG B CB 1 ATOM 3970 C CG . ARG B 1 38 ? -5.391 -4.964 24.292 1.00 17.11 ? 38 ARG B CG 1 ATOM 3971 C CD . ARG B 1 38 ? -5.129 -6.131 23.323 1.00 17.24 ? 38 ARG B CD 1 ATOM 3972 N NE . ARG B 1 38 ? -5.617 -7.296 23.978 1.00 16.58 ? 38 ARG B NE 1 ATOM 3973 C CZ . ARG B 1 38 ? -4.943 -7.988 24.877 1.00 18.27 ? 38 ARG B CZ 1 ATOM 3974 N NH1 . ARG B 1 38 ? -3.676 -7.686 25.160 1.00 18.12 ? 38 ARG B NH1 1 ATOM 3975 N NH2 . ARG B 1 38 ? -5.553 -9.014 25.444 1.00 21.84 ? 38 ARG B NH2 1 ATOM 3976 H H . ARG B 1 38 ? -7.482 -2.622 24.608 1.00 9.11 ? 38 ARG B H 1 ATOM 3977 H HA . ARG B 1 38 ? -4.804 -2.457 25.071 1.00 10.03 ? 38 ARG B HA 1 ATOM 3978 H HB2 . ARG B 1 38 ? -6.151 -3.727 22.921 1.00 13.45 ? 38 ARG B HB2 1 ATOM 3979 H HB3 . ARG B 1 38 ? -4.570 -3.638 23.045 1.00 13.45 ? 38 ARG B HB3 1 ATOM 3980 H HG2 . ARG B 1 38 ? -4.682 -4.944 24.954 1.00 20.52 ? 38 ARG B HG2 1 ATOM 3981 H HG3 . ARG B 1 38 ? -6.253 -5.100 24.717 1.00 20.52 ? 38 ARG B HG3 1 ATOM 3982 H HD2 . ARG B 1 38 ? -5.618 -5.999 22.496 1.00 20.68 ? 38 ARG B HD2 1 ATOM 3983 H HD3 . ARG B 1 38 ? -4.178 -6.227 23.161 1.00 20.68 ? 38 ARG B HD3 1 ATOM 3984 H HE . ARG B 1 38 ? -6.507 -7.603 23.748 1.00 19.89 ? 38 ARG B HE 1 ATOM 3985 H HH11 . ARG B 1 38 ? -3.303 -7.007 24.787 1.00 21.74 ? 38 ARG B HH11 1 ATOM 3986 H HH12 . ARG B 1 38 ? -3.241 -8.154 25.735 1.00 21.74 ? 38 ARG B HH12 1 ATOM 3987 H HH21 . ARG B 1 38 ? -6.364 -9.204 25.230 1.00 26.19 ? 38 ARG B HH21 1 ATOM 3988 H HH22 . ARG B 1 38 ? -5.130 -9.508 26.007 1.00 26.19 ? 38 ARG B HH22 1 ATOM 3989 N N . ALA B 1 39 ? -4.265 -0.664 23.421 1.00 7.55 ? 39 ALA B N 1 ATOM 3990 C CA . ALA B 1 39 ? -4.072 0.505 22.582 1.00 7.52 ? 39 ALA B CA 1 ATOM 3991 C C . ALA B 1 39 ? -2.726 0.430 21.883 1.00 8.36 ? 39 ALA B C 1 ATOM 3992 O O . ALA B 1 39 ? -1.734 -0.109 22.397 1.00 7.45 ? 39 ALA B O 1 ATOM 3993 C CB . ALA B 1 39 ? -4.145 1.783 23.392 1.00 8.83 ? 39 ALA B CB 1 ATOM 3994 H H . ALA B 1 39 ? -3.552 -0.926 23.825 1.00 9.05 ? 39 ALA B H 1 ATOM 3995 H HA . ALA B 1 39 ? -4.774 0.532 21.898 1.00 9.01 ? 39 ALA B HA 1 ATOM 3996 H HB1 . ALA B 1 39 ? -4.014 2.532 22.806 1.00 10.59 ? 39 ALA B HB1 1 ATOM 3997 H HB2 . ALA B 1 39 ? -5.008 1.840 23.808 1.00 10.59 ? 39 ALA B HB2 1 ATOM 3998 H HB3 . ALA B 1 39 ? -3.458 1.767 24.062 1.00 10.59 ? 39 ALA B HB3 1 ATOM 3999 N N . TYR B 1 40 ? -2.662 1.013 20.708 1.00 6.55 ? 40 TYR B N 1 ATOM 4000 C CA . TYR B 1 40 ? -1.420 1.083 19.944 1.00 7.74 ? 40 TYR B CA 1 ATOM 4001 C C . TYR B 1 40 ? -1.383 2.421 19.225 1.00 7.37 ? 40 TYR B C 1 ATOM 4002 O O . TYR B 1 40 ? -2.216 2.679 18.351 1.00 7.35 ? 40 TYR B O 1 ATOM 4003 C CB . TYR B 1 40 ? -1.348 -0.081 18.948 1.00 7.55 ? 40 TYR B CB 1 ATOM 4004 C CG . TYR B 1 40 ? -0.033 -0.297 18.187 1.00 5.70 ? 40 TYR B CG 1 ATOM 4005 C CD1 . TYR B 1 40 ? 1.179 0.144 18.681 1.00 6.45 ? 40 TYR B CD1 1 ATOM 4006 C CD2 . TYR B 1 40 ? -0.054 -0.995 16.998 1.00 7.62 ? 40 TYR B CD2 1 ATOM 4007 C CE1 . TYR B 1 40 ? 2.358 -0.114 17.986 1.00 7.14 ? 40 TYR B CE1 1 ATOM 4008 C CE2 . TYR B 1 40 ? 1.116 -1.295 16.301 1.00 7.26 ? 40 TYR B CE2 1 ATOM 4009 C CZ . TYR B 1 40 ? 2.309 -0.833 16.794 1.00 7.35 ? 40 TYR B CZ 1 ATOM 4010 O OH . TYR B 1 40 ? 3.502 -1.060 16.134 1.00 8.29 ? 40 TYR B OH 1 ATOM 4011 H H . TYR B 1 40 ? -3.331 1.386 20.317 1.00 7.84 ? 40 TYR B H 1 ATOM 4012 H HA . TYR B 1 40 ? -0.653 1.028 20.551 1.00 9.27 ? 40 TYR B HA 1 ATOM 4013 H HB2 . TYR B 1 40 ? -1.531 -0.900 19.433 1.00 9.04 ? 40 TYR B HB2 1 ATOM 4014 H HB3 . TYR B 1 40 ? -2.040 0.054 18.282 1.00 9.04 ? 40 TYR B HB3 1 ATOM 4015 H HD1 . TYR B 1 40 ? 1.208 0.613 19.484 1.00 7.73 ? 40 TYR B HD1 1 ATOM 4016 H HD2 . TYR B 1 40 ? -0.865 -1.321 16.680 1.00 9.13 ? 40 TYR B HD2 1 ATOM 4017 H HE1 . TYR B 1 40 ? 3.172 0.189 18.317 1.00 8.56 ? 40 TYR B HE1 1 ATOM 4018 H HE2 . TYR B 1 40 ? 1.083 -1.758 15.495 1.00 8.70 ? 40 TYR B HE2 1 ATOM 4019 H HH . TYR B 1 40 ? 3.476 -0.729 15.384 1.00 9.94 ? 40 TYR B HH 1 ATOM 4020 N N . SER B 1 41 ? -0.458 3.267 19.643 1.00 6.53 ? 41 SER B N 1 ATOM 4021 C CA . SER B 1 41 ? -0.308 4.611 19.100 1.00 6.17 ? 41 SER B CA 1 ATOM 4022 C C . SER B 1 41 ? 1.132 4.982 19.041 1.00 8.54 ? 41 SER B C 1 ATOM 4023 O O . SER B 1 41 ? 1.905 4.595 19.927 1.00 10.13 ? 41 SER B O 1 ATOM 4024 C CB . SER B 1 41 ? -0.999 5.595 20.044 1.00 7.80 ? 41 SER B CB 1 ATOM 4025 O OG . SER B 1 41 ? -0.862 6.957 19.652 1.00 8.19 ? 41 SER B OG 1 ATOM 4026 H H . SER B 1 41 ? 0.114 3.082 20.259 1.00 7.83 ? 41 SER B H 1 ATOM 4027 H HA . SER B 1 41 ? -0.705 4.673 18.206 1.00 7.39 ? 41 SER B HA 1 ATOM 4028 H HB2 . SER B 1 41 ? -1.944 5.378 20.073 1.00 9.35 ? 41 SER B HB2 1 ATOM 4029 H HB3 . SER B 1 41 ? -0.617 5.491 20.929 1.00 9.35 ? 41 SER B HB3 1 ATOM 4030 H HG . SER B 1 41 ? -0.422 7.007 18.962 1.00 9.81 ? 41 SER B HG 1 ATOM 4031 N N . ASP B 1 42 ? 1.525 5.767 18.044 1.00 5.90 ? 42 ASP B N 1 ATOM 4032 C CA . ASP B 1 42 ? 2.867 6.314 18.004 1.00 6.64 ? 42 ASP B CA 1 ATOM 4033 C C . ASP B 1 42 ? 2.925 7.818 18.210 1.00 6.61 ? 42 ASP B C 1 ATOM 4034 O O . ASP B 1 42 ? 3.909 8.477 17.856 1.00 8.05 ? 42 ASP B O 1 ATOM 4035 C CB . ASP B 1 42 ? 3.675 5.832 16.792 1.00 7.32 ? 42 ASP B CB 1 ATOM 4036 C CG . ASP B 1 42 ? 3.079 6.207 15.459 1.00 9.43 ? 42 ASP B CG 1 ATOM 4037 O OD1 . ASP B 1 42 ? 2.258 7.141 15.412 1.00 8.81 ? 42 ASP B OD1 1 ATOM 4038 O OD2 . ASP B 1 42 ? 3.446 5.547 14.442 1.00 9.06 ? 42 ASP B OD2 1 ATOM 4039 H H . ASP B 1 42 ? 1.029 5.996 17.379 1.00 7.07 ? 42 ASP B H 1 ATOM 4040 H HA . ASP B 1 42 ? 3.332 5.938 18.780 1.00 7.96 ? 42 ASP B HA 1 ATOM 4041 H HB2 . ASP B 1 42 ? 4.563 6.219 16.837 1.00 8.77 ? 42 ASP B HB2 1 ATOM 4042 H HB3 . ASP B 1 42 ? 3.738 4.865 16.826 1.00 8.77 ? 42 ASP B HB3 1 ATOM 4043 N N . LEU B 1 43 ? 1.904 8.368 18.862 1.00 6.99 ? 43 LEU B N 1 ATOM 4044 C CA . LEU B 1 43 ? 1.968 9.756 19.280 1.00 7.25 ? 43 LEU B CA 1 ATOM 4045 C C . LEU B 1 43 ? 2.945 9.882 20.453 1.00 7.01 ? 43 LEU B C 1 ATOM 4046 O O . LEU B 1 43 ? 2.983 9.031 21.345 1.00 8.59 ? 43 LEU B O 1 ATOM 4047 C CB . LEU B 1 43 ? 0.610 10.245 19.784 1.00 7.72 ? 43 LEU B CB 1 ATOM 4048 C CG . LEU B 1 43 ? -0.495 10.415 18.744 1.00 7.36 ? 43 LEU B CG 1 ATOM 4049 C CD1 . LEU B 1 43 ? -1.818 10.650 19.458 1.00 8.11 ? 43 LEU B CD1 1 ATOM 4050 C CD2 . LEU B 1 43 ? -0.166 11.563 17.822 1.00 7.83 ? 43 LEU B CD2 1 ATOM 4051 H H . LEU B 1 43 ? 1.175 7.962 19.070 1.00 8.38 ? 43 LEU B H 1 ATOM 4052 H HA . LEU B 1 43 ? 2.268 10.326 18.541 1.00 8.68 ? 43 LEU B HA 1 ATOM 4053 H HB2 . LEU B 1 43 ? 0.287 9.611 20.443 1.00 9.26 ? 43 LEU B HB2 1 ATOM 4054 H HB3 . LEU B 1 43 ? 0.738 11.108 20.208 1.00 9.26 ? 43 LEU B HB3 1 ATOM 4055 H HG . LEU B 1 43 ? -0.569 9.605 18.215 1.00 8.82 ? 43 LEU B HG 1 ATOM 4056 H HD11 . LEU B 1 43 ? -2.511 10.756 18.802 1.00 9.72 ? 43 LEU B HD11 1 ATOM 4057 H HD12 . LEU B 1 43 ? -2.009 9.893 20.017 1.00 9.72 ? 43 LEU B HD12 1 ATOM 4058 H HD13 . LEU B 1 43 ? -1.747 11.444 19.993 1.00 9.72 ? 43 LEU B HD13 1 ATOM 4059 H HD21 . LEU B 1 43 ? -0.870 11.656 17.176 1.00 9.39 ? 43 LEU B HD21 1 ATOM 4060 H HD22 . LEU B 1 43 ? -0.089 12.368 18.341 1.00 9.39 ? 43 LEU B HD22 1 ATOM 4061 H HD23 . LEU B 1 43 ? 0.665 11.379 17.378 1.00 9.39 ? 43 LEU B HD23 1 ATOM 4062 N N . SER B 1 44 ? 3.668 10.997 20.462 1.00 9.13 ? 44 SER B N 1 ATOM 4063 C CA . SER B 1 44 ? 4.490 11.394 21.610 1.00 8.75 ? 44 SER B CA 1 ATOM 4064 C C . SER B 1 44 ? 3.855 12.472 22.478 1.00 8.82 ? 44 SER B C 1 ATOM 4065 O O . SER B 1 44 ? 4.122 12.550 23.697 1.00 11.19 ? 44 SER B O 1 ATOM 4066 C CB . SER B 1 44 ? 5.851 11.914 21.150 1.00 11.20 ? 44 SER B CB 1 ATOM 4067 O OG . SER B 1 44 ? 6.613 10.886 20.567 1.00 16.12 ? 44 SER B OG 1 ATOM 4068 H H . SER B 1 44 ? 3.702 11.552 19.806 1.00 10.94 ? 44 SER B H 1 ATOM 4069 H HA . SER B 1 44 ? 4.644 10.607 22.174 1.00 10.49 ? 44 SER B HA 1 ATOM 4070 H HB2 . SER B 1 44 ? 5.715 12.616 20.494 1.00 13.43 ? 44 SER B HB2 1 ATOM 4071 H HB3 . SER B 1 44 ? 6.331 12.266 21.916 1.00 13.43 ? 44 SER B HB3 1 ATOM 4072 H HG . SER B 1 44 ? 6.190 10.183 20.576 1.00 19.33 ? 44 SER B HG 1 ATOM 4073 N N . ARG B 1 45 ? 2.989 13.272 21.871 1.00 8.55 ? 45 ARG B N 1 ATOM 4074 C CA . ARG B 1 45 ? 2.262 14.306 22.604 1.00 6.93 ? 45 ARG B CA 1 ATOM 4075 C C . ARG B 1 45 ? 1.219 13.633 23.496 1.00 9.08 ? 45 ARG B C 1 ATOM 4076 O O . ARG B 1 45 ? 0.958 12.420 23.392 1.00 10.30 ? 45 ARG B O 1 ATOM 4077 C CB . ARG B 1 45 ? 1.596 15.270 21.650 1.00 9.33 ? 45 ARG B CB 1 ATOM 4078 C CG . ARG B 1 45 ? 0.488 14.659 20.759 1.00 8.13 ? 45 ARG B CG 1 ATOM 4079 C CD . ARG B 1 45 ? -0.454 15.772 20.252 1.00 9.57 ? 45 ARG B CD 1 ATOM 4080 N NE . ARG B 1 45 ? -1.319 15.295 19.187 1.00 9.44 ? 45 ARG B NE 1 ATOM 4081 C CZ . ARG B 1 45 ? -2.418 14.561 19.377 1.00 8.25 ? 45 ARG B CZ 1 ATOM 4082 N NH1 . ARG B 1 45 ? -2.829 14.232 20.607 1.00 8.10 ? 45 ARG B NH1 1 ATOM 4083 N NH2 . ARG B 1 45 ? -3.103 14.135 18.327 1.00 9.22 ? 45 ARG B NH2 1 ATOM 4084 H H . ARG B 1 45 ? 2.803 13.239 21.032 1.00 10.25 ? 45 ARG B H 1 ATOM 4085 H HA . ARG B 1 45 ? 2.884 14.807 23.172 1.00 8.30 ? 45 ARG B HA 1 ATOM 4086 H HB2 . ARG B 1 45 ? 1.193 15.985 22.166 1.00 11.18 ? 45 ARG B HB2 1 ATOM 4087 H HB3 . ARG B 1 45 ? 2.273 15.637 21.061 1.00 11.18 ? 45 ARG B HB3 1 ATOM 4088 H HG2 . ARG B 1 45 ? 0.891 14.223 19.992 1.00 9.75 ? 45 ARG B HG2 1 ATOM 4089 H HG3 . ARG B 1 45 ? -0.033 14.025 21.277 1.00 9.75 ? 45 ARG B HG3 1 ATOM 4090 H HD2 . ARG B 1 45 ? -1.013 16.076 20.984 1.00 11.47 ? 45 ARG B HD2 1 ATOM 4091 H HD3 . ARG B 1 45 ? 0.076 16.508 19.907 1.00 11.47 ? 45 ARG B HD3 1 ATOM 4092 H HE . ARG B 1 45 ? -1.082 15.526 18.275 1.00 11.32 ? 45 ARG B HE 1 ATOM 4093 H HH11 . ARG B 1 45 ? -2.382 14.491 21.294 1.00 9.71 ? 45 ARG B HH11 1 ATOM 4094 H HH12 . ARG B 1 45 ? -3.542 13.761 20.710 1.00 9.71 ? 45 ARG B HH12 1 ATOM 4095 H HH21 . ARG B 1 45 ? -2.851 14.350 17.534 1.00 11.05 ? 45 ARG B HH21 1 ATOM 4096 H HH22 . ARG B 1 45 ? -3.823 13.678 18.441 1.00 11.05 ? 45 ARG B HH22 1 ATOM 4097 N N . ALA B 1 46 ? 0.634 14.425 24.387 1.00 9.23 ? 46 ALA B N 1 ATOM 4098 C CA . ALA B 1 46 ? -0.381 13.916 25.271 1.00 10.27 ? 46 ALA B CA 1 ATOM 4099 C C . ALA B 1 46 ? -1.638 13.566 24.486 1.00 9.58 ? 46 ALA B C 1 ATOM 4100 O O . ALA B 1 46 ? -1.942 14.167 23.438 1.00 9.42 ? 46 ALA B O 1 ATOM 4101 C CB . ALA B 1 46 ? -0.711 14.939 26.333 1.00 11.18 ? 46 ALA B CB 1 ATOM 4102 H H . ALA B 1 46 ? 0.813 15.259 24.493 1.00 11.06 ? 46 ALA B H 1 ATOM 4103 H HA . ALA B 1 46 ? -0.054 13.105 25.712 1.00 12.31 ? 46 ALA B HA 1 ATOM 4104 H HB1 . ALA B 1 46 ? -1.388 14.581 26.911 1.00 13.40 ? 46 ALA B HB1 1 ATOM 4105 H HB2 . ALA B 1 46 ? 0.083 15.132 26.838 1.00 13.40 ? 46 ALA B HB2 1 ATOM 4106 H HB3 . ALA B 1 46 ? -1.031 15.738 25.908 1.00 13.40 ? 46 ALA B HB3 1 ATOM 4107 N N . TYR B 1 47 ? -2.405 12.640 25.036 1.00 8.41 ? 47 TYR B N 1 ATOM 4108 C CA . TYR B 1 47 ? -3.686 12.281 24.456 1.00 8.20 ? 47 TYR B CA 1 ATOM 4109 C C . TYR B 1 47 ? -4.599 11.602 25.437 1.00 7.86 ? 47 TYR B C 1 ATOM 4110 O O . TYR B 1 47 ? -4.154 10.978 26.383 1.00 9.03 ? 47 TYR B O 1 ATOM 4111 C CB . TYR B 1 47 ? -3.517 11.388 23.243 1.00 9.12 ? 47 TYR B CB 1 ATOM 4112 C CG . TYR B 1 47 ? -2.689 10.150 23.422 1.00 7.77 ? 47 TYR B CG 1 ATOM 4113 C CD1 . TYR B 1 47 ? -3.269 8.987 23.817 1.00 7.75 ? 47 TYR B CD1 1 ATOM 4114 C CD2 . TYR B 1 47 ? -1.346 10.150 23.097 1.00 7.40 ? 47 TYR B CD2 1 ATOM 4115 C CE1 . TYR B 1 47 ? -2.520 7.810 23.929 1.00 8.81 ? 47 TYR B CE1 1 ATOM 4116 C CE2 . TYR B 1 47 ? -0.569 8.990 23.218 1.00 7.51 ? 47 TYR B CE2 1 ATOM 4117 C CZ . TYR B 1 47 ? -1.178 7.825 23.611 1.00 7.48 ? 47 TYR B CZ 1 ATOM 4118 O OH . TYR B 1 47 ? -0.403 6.663 23.693 1.00 10.64 ? 47 TYR B OH 1 ATOM 4119 H H . TYR B 1 47 ? -2.206 12.203 25.749 1.00 10.08 ? 47 TYR B H 1 ATOM 4120 H HA . TYR B 1 47 ? -4.132 13.102 24.158 1.00 9.83 ? 47 TYR B HA 1 ATOM 4121 H HB2 . TYR B 1 47 ? -4.398 11.104 22.952 1.00 10.94 ? 47 TYR B HB2 1 ATOM 4122 H HB3 . TYR B 1 47 ? -3.102 11.911 22.539 1.00 10.94 ? 47 TYR B HB3 1 ATOM 4123 H HD1 . TYR B 1 47 ? -4.178 8.971 24.011 1.00 9.29 ? 47 TYR B HD1 1 ATOM 4124 H HD2 . TYR B 1 47 ? -0.946 10.940 22.814 1.00 8.86 ? 47 TYR B HD2 1 ATOM 4125 H HE1 . TYR B 1 47 ? -2.927 7.020 24.201 1.00 10.57 ? 47 TYR B HE1 1 ATOM 4126 H HE2 . TYR B 1 47 ? 0.333 9.000 22.994 1.00 8.99 ? 47 TYR B HE2 1 ATOM 4127 H HH . TYR B 1 47 ? 0.210 6.772 24.227 1.00 12.75 ? 47 TYR B HH 1 ATOM 4128 N N . SER B 1 48 ? -5.904 11.704 25.190 1.00 7.04 ? 48 SER B N 1 ATOM 4129 C CA . SER B 1 48 ? -6.890 10.990 25.941 1.00 6.68 ? 48 SER B CA 1 ATOM 4130 C C . SER B 1 48 ? -7.074 9.565 25.434 1.00 7.49 ? 48 SER B C 1 ATOM 4131 O O . SER B 1 48 ? -7.209 9.351 24.219 1.00 8.72 ? 48 SER B O 1 ATOM 4132 C CB . SER B 1 48 ? -8.255 11.723 25.829 1.00 9.66 ? 48 SER B CB 1 ATOM 4133 O OG . SER B 1 48 ? -9.224 11.067 26.608 1.00 10.02 ? 48 SER B OG 1 ATOM 4134 H H . SER B 1 48 ? -6.237 12.200 24.571 1.00 8.43 ? 48 SER B H 1 ATOM 4135 H HA . SER B 1 48 ? -6.627 10.957 26.884 1.00 8.01 ? 48 SER B HA 1 ATOM 4136 H HB2 . SER B 1 48 ? -8.154 12.633 26.148 1.00 11.57 ? 48 SER B HB2 1 ATOM 4137 H HB3 . SER B 1 48 ? -8.540 11.724 24.902 1.00 11.57 ? 48 SER B HB3 1 ATOM 4138 H HG . SER B 1 48 ? -9.943 11.456 26.546 1.00 12.01 ? 48 SER B HG 1 ATOM 4139 N N . LEU B 1 49 ? -7.129 8.617 26.382 1.00 5.76 ? 49 LEU B N 1 ATOM 4140 C CA . LEU B 1 49 ? -7.495 7.253 26.090 1.00 7.40 ? 49 LEU B CA 1 ATOM 4141 C C . LEU B 1 49 ? -8.978 6.929 26.263 1.00 6.12 ? 49 LEU B C 1 ATOM 4142 O O . LEU B 1 49 ? -9.582 6.204 25.470 1.00 8.40 ? 49 LEU B O 1 ATOM 4143 C CB . LEU B 1 49 ? -6.607 6.319 26.926 1.00 8.30 ? 49 LEU B CB 1 ATOM 4144 C CG . LEU B 1 49 ? -5.162 6.248 26.425 1.00 10.35 ? 49 LEU B CG 1 ATOM 4145 C CD1 . LEU B 1 49 ? -4.265 5.703 27.508 1.00 14.58 ? 49 LEU B CD1 1 ATOM 4146 C CD2 . LEU B 1 49 ? -5.075 5.424 25.176 1.00 11.55 ? 49 LEU B CD2 1 ATOM 4147 H H . LEU B 1 49 ? -6.953 8.756 27.212 1.00 6.90 ? 49 LEU B H 1 ATOM 4148 H HA . LEU B 1 49 ? -7.278 7.081 25.149 1.00 8.86 ? 49 LEU B HA 1 ATOM 4149 H HB2 . LEU B 1 49 ? -6.590 6.639 27.841 1.00 9.94 ? 49 LEU B HB2 1 ATOM 4150 H HB3 . LEU B 1 49 ? -6.978 5.423 26.895 1.00 9.94 ? 49 LEU B HB3 1 ATOM 4151 H HG . LEU B 1 49 ? -4.860 7.144 26.211 1.00 12.41 ? 49 LEU B HG 1 ATOM 4152 H HD11 . LEU B 1 49 ? -3.364 5.665 27.178 1.00 17.49 ? 49 LEU B HD11 1 ATOM 4153 H HD12 . LEU B 1 49 ? -4.310 6.284 28.272 1.00 17.49 ? 49 LEU B HD12 1 ATOM 4154 H HD13 . LEU B 1 49 ? -4.564 4.823 27.748 1.00 17.49 ? 49 LEU B HD13 1 ATOM 4155 H HD21 . LEU B 1 49 ? -4.161 5.396 24.884 1.00 13.85 ? 49 LEU B HD21 1 ATOM 4156 H HD22 . LEU B 1 49 ? -5.386 4.536 25.366 1.00 13.85 ? 49 LEU B HD22 1 ATOM 4157 H HD23 . LEU B 1 49 ? -5.623 5.826 24.498 1.00 13.85 ? 49 LEU B HD23 1 ATOM 4158 N N . PHE B 1 50 ? -9.574 7.448 27.331 1.00 5.72 ? 50 PHE B N 1 ATOM 4159 C CA . PHE B 1 50 ? -10.979 7.135 27.652 1.00 5.55 ? 50 PHE B CA 1 ATOM 4160 C C . PHE B 1 50 ? -11.542 8.316 28.417 1.00 5.90 ? 50 PHE B C 1 ATOM 4161 O O . PHE B 1 50 ? -11.024 8.678 29.464 1.00 7.31 ? 50 PHE B O 1 ATOM 4162 C CB . PHE B 1 50 ? -11.000 5.871 28.525 1.00 6.78 ? 50 PHE B CB 1 ATOM 4163 C CG . PHE B 1 50 ? -12.387 5.405 28.949 1.00 6.14 ? 50 PHE B CG 1 ATOM 4164 C CD1 . PHE B 1 50 ? -12.997 5.892 30.105 1.00 7.37 ? 50 PHE B CD1 1 ATOM 4165 C CD2 . PHE B 1 50 ? -13.051 4.448 28.220 1.00 6.89 ? 50 PHE B CD2 1 ATOM 4166 C CE1 . PHE B 1 50 ? -14.233 5.403 30.496 1.00 9.00 ? 50 PHE B CE1 1 ATOM 4167 C CE2 . PHE B 1 50 ? -14.287 3.952 28.601 1.00 7.60 ? 50 PHE B CE2 1 ATOM 4168 C CZ . PHE B 1 50 ? -14.864 4.425 29.753 1.00 7.58 ? 50 PHE B CZ 1 ATOM 4169 H H . PHE B 1 50 ? -9.195 7.982 27.889 1.00 6.86 ? 50 PHE B H 1 ATOM 4170 H HA . PHE B 1 50 ? -11.500 6.986 26.835 1.00 6.65 ? 50 PHE B HA 1 ATOM 4171 H HB2 . PHE B 1 50 ? -10.587 5.147 28.029 1.00 8.13 ? 50 PHE B HB2 1 ATOM 4172 H HB3 . PHE B 1 50 ? -10.490 6.045 29.332 1.00 8.13 ? 50 PHE B HB3 1 ATOM 4173 H HD1 . PHE B 1 50 ? -12.562 6.527 30.628 1.00 8.84 ? 50 PHE B HD1 1 ATOM 4174 H HD2 . PHE B 1 50 ? -12.645 4.103 27.457 1.00 8.25 ? 50 PHE B HD2 1 ATOM 4175 H HE1 . PHE B 1 50 ? -14.638 5.731 31.266 1.00 10.78 ? 50 PHE B HE1 1 ATOM 4176 H HE2 . PHE B 1 50 ? -14.716 3.305 28.089 1.00 9.11 ? 50 PHE B HE2 1 ATOM 4177 H HZ . PHE B 1 50 ? -15.709 4.128 30.003 1.00 9.09 ? 50 PHE B HZ 1 ATOM 4178 N N . SER B 1 51 ? -12.574 8.925 27.844 1.00 5.57 ? 51 SER B N 1 ATOM 4179 C CA . SER B 1 51 ? -13.127 10.163 28.372 1.00 6.87 ? 51 SER B CA 1 ATOM 4180 C C . SER B 1 51 ? -14.601 9.960 28.769 1.00 6.59 ? 51 SER B C 1 ATOM 4181 O O . SER B 1 51 ? -15.443 9.609 27.920 1.00 7.87 ? 51 SER B O 1 ATOM 4182 C CB . SER B 1 51 ? -12.975 11.222 27.290 1.00 6.34 ? 51 SER B CB 1 ATOM 4183 O OG . SER B 1 51 ? -13.699 12.442 27.606 1.00 6.70 ? 51 SER B OG 1 ATOM 4184 H H . SER B 1 51 ? -12.974 8.637 27.140 1.00 6.68 ? 51 SER B H 1 ATOM 4185 H HA . SER B 1 51 ? -12.621 10.443 29.163 1.00 8.23 ? 51 SER B HA 1 ATOM 4186 H HB2 . SER B 1 51 ? -12.033 11.435 27.193 1.00 7.59 ? 51 SER B HB2 1 ATOM 4187 H HB3 . SER B 1 51 ? -13.317 10.865 26.455 1.00 7.59 ? 51 SER B HB3 1 ATOM 4188 H HG . SER B 1 51 ? -14.080 12.364 28.328 1.00 8.02 ? 51 SER B HG 1 ATOM 4189 N N . TYR B 1 52 ? -14.903 10.164 30.052 1.00 6.76 ? 52 TYR B N 1 ATOM 4190 C CA . TYR B 1 52 ? -16.249 9.972 30.614 1.00 6.78 ? 52 TYR B CA 1 ATOM 4191 C C . TYR B 1 52 ? -16.620 11.266 31.335 1.00 6.45 ? 52 TYR B C 1 ATOM 4192 O O . TYR B 1 52 ? -16.007 11.648 32.334 1.00 7.79 ? 52 TYR B O 1 ATOM 4193 C CB . TYR B 1 52 ? -16.190 8.726 31.513 1.00 7.77 ? 52 TYR B CB 1 ATOM 4194 C CG . TYR B 1 52 ? -17.317 8.352 32.461 1.00 7.03 ? 52 TYR B CG 1 ATOM 4195 C CD1 . TYR B 1 52 ? -17.810 7.030 32.464 1.00 8.33 ? 52 TYR B CD1 1 ATOM 4196 C CD2 . TYR B 1 52 ? -17.849 9.240 33.389 1.00 7.96 ? 52 TYR B CD2 1 ATOM 4197 C CE1 . TYR B 1 52 ? -18.774 6.614 33.385 1.00 9.16 ? 52 TYR B CE1 1 ATOM 4198 C CE2 . TYR B 1 52 ? -18.807 8.800 34.325 1.00 9.03 ? 52 TYR B CE2 1 ATOM 4199 C CZ . TYR B 1 52 ? -19.283 7.515 34.283 1.00 10.50 ? 52 TYR B CZ 1 ATOM 4200 O OH . TYR B 1 52 ? -20.241 7.045 35.162 1.00 12.21 ? 52 TYR B OH 1 ATOM 4201 H H . TYR B 1 52 ? -14.328 10.422 30.638 1.00 8.10 ? 52 TYR B H 1 ATOM 4202 H HA . TYR B 1 52 ? -16.893 9.814 29.892 1.00 8.12 ? 52 TYR B HA 1 ATOM 4203 H HB2 . TYR B 1 52 ? -16.071 7.962 30.927 1.00 9.31 ? 52 TYR B HB2 1 ATOM 4204 H HB3 . TYR B 1 52 ? -15.397 8.814 32.064 1.00 9.31 ? 52 TYR B HB3 1 ATOM 4205 H HD1 . TYR B 1 52 ? -17.456 6.412 31.867 1.00 9.99 ? 52 TYR B HD1 1 ATOM 4206 H HD2 . TYR B 1 52 ? -17.520 10.109 33.438 1.00 9.54 ? 52 TYR B HD2 1 ATOM 4207 H HE1 . TYR B 1 52 ? -19.094 5.741 33.365 1.00 10.98 ? 52 TYR B HE1 1 ATOM 4208 H HE2 . TYR B 1 52 ? -19.168 9.405 34.933 1.00 10.83 ? 52 TYR B HE2 1 ATOM 4209 H HH . TYR B 1 52 ? -20.941 7.462 35.064 1.00 14.65 ? 52 TYR B HH 1 ATOM 4210 N N . ASN B 1 53 ? -17.570 11.989 30.723 1.00 7.01 ? 53 ASN B N 1 ATOM 4211 C CA . ASN B 1 53 ? -18.091 13.233 31.263 1.00 8.06 ? 53 ASN B CA 1 ATOM 4212 C C . ASN B 1 53 ? -19.564 13.074 31.581 1.00 7.17 ? 53 ASN B C 1 ATOM 4213 O O . ASN B 1 53 ? -20.286 12.271 30.978 1.00 8.69 ? 53 ASN B O 1 ATOM 4214 C CB . ASN B 1 53 ? -17.924 14.351 30.241 1.00 7.70 ? 53 ASN B CB 1 ATOM 4215 C CG . ASN B 1 53 ? -16.584 14.995 30.290 1.00 7.24 ? 53 ASN B CG 1 ATOM 4216 O OD1 . ASN B 1 53 ? -15.629 14.462 30.831 1.00 8.94 ? 53 ASN B OD1 1 ATOM 4217 N ND2 . ASN B 1 53 ? -16.496 16.208 29.746 1.00 7.19 ? 53 ASN B ND2 1 ATOM 4218 H H . ASN B 1 53 ? -17.931 11.765 29.975 1.00 8.40 ? 53 ASN B H 1 ATOM 4219 H HA . ASN B 1 53 ? -17.609 13.473 32.082 1.00 9.66 ? 53 ASN B HA 1 ATOM 4220 H HB2 . ASN B 1 53 ? -18.046 13.984 29.351 1.00 9.22 ? 53 ASN B HB2 1 ATOM 4221 H HB3 . ASN B 1 53 ? -18.590 15.035 30.411 1.00 9.22 ? 53 ASN B HB3 1 ATOM 4222 H HD21 . ASN B 1 53 ? -15.640 16.685 29.747 1.00 8.61 ? 53 ASN B HD21 1 ATOM 4223 H HD22 . ASN B 1 53 ? -17.288 16.623 29.344 1.00 8.61 ? 53 ASN B HD22 1 ATOM 4224 N N . THR B 1 54 ? -20.014 13.824 32.582 1.00 8.15 ? 54 THR B N 1 ATOM 4225 C CA . THR B 1 54 ? -21.455 13.855 32.888 1.00 7.98 ? 54 THR B CA 1 ATOM 4226 C C . THR B 1 54 ? -21.951 15.285 32.757 1.00 7.84 ? 54 THR B C 1 ATOM 4227 O O . THR B 1 54 ? -21.172 16.208 32.520 1.00 9.46 ? 54 THR B O 1 ATOM 4228 C CB . THR B 1 54 ? -21.751 13.248 34.257 1.00 9.17 ? 54 THR B CB 1 ATOM 4229 O OG1 . THR B 1 54 ? -21.015 13.965 35.252 1.00 12.54 ? 54 THR B OG1 1 ATOM 4230 C CG2 . THR B 1 54 ? -21.342 11.768 34.287 1.00 10.96 ? 54 THR B CG2 1 ATOM 4231 H H . THR B 1 54 ? -19.526 14.316 33.092 1.00 9.76 ? 54 THR B H 1 ATOM 4232 H HA . THR B 1 54 ? -21.927 13.316 32.219 1.00 9.57 ? 54 THR B HA 1 ATOM 4233 H HB . THR B 1 54 ? -22.701 13.311 34.445 1.00 10.99 ? 54 THR B HB 1 ATOM 4234 H HG1 . THR B 1 54 ? -21.165 13.650 35.994 1.00 15.04 ? 54 THR B HG1 1 ATOM 4235 H HG21 . THR B 1 54 ? -21.530 11.393 35.150 1.00 13.14 ? 54 THR B HG21 1 ATOM 4236 H HG22 . THR B 1 54 ? -21.830 11.279 33.621 1.00 13.14 ? 54 THR B HG22 1 ATOM 4237 H HG23 . THR B 1 54 ? -20.402 11.684 34.109 1.00 13.14 ? 54 THR B HG23 1 ATOM 4238 N N . GLN B 1 55 ? -23.276 15.471 32.833 1.00 10.38 ? 55 GLN B N 1 ATOM 4239 C CA . GLN B 1 55 ? -23.846 16.797 32.573 1.00 11.28 ? 55 GLN B CA 1 ATOM 4240 C C . GLN B 1 55 ? -23.287 17.822 33.547 1.00 8.46 ? 55 GLN B C 1 ATOM 4241 O O . GLN B 1 55 ? -23.368 17.622 34.767 1.00 12.17 ? 55 GLN B O 1 ATOM 4242 C CB . GLN B 1 55 ? -25.365 16.726 32.685 1.00 13.38 ? 55 GLN B CB 1 ATOM 4243 C CG . GLN B 1 55 ? -26.059 18.075 32.404 1.00 18.50 ? 55 GLN B CG 1 ATOM 4244 C CD . GLN B 1 55 ? -25.696 18.688 31.048 1.00 23.19 ? 55 GLN B CD 1 ATOM 4245 O OE1 . GLN B 1 55 ? -25.876 18.067 30.001 1.00 29.08 ? 55 GLN B OE1 1 ATOM 4246 N NE2 . GLN B 1 55 ? -25.230 19.937 31.066 1.00 37.77 ? 55 GLN B NE2 1 ATOM 4247 H H . GLN B 1 55 ? -23.852 14.862 33.028 1.00 12.45 ? 55 GLN B H 1 ATOM 4248 H HA . GLN B 1 55 ? -23.615 17.077 31.663 1.00 13.53 ? 55 GLN B HA 1 ATOM 4249 H HB2 . GLN B 1 55 ? -25.697 16.080 32.044 1.00 16.04 ? 55 GLN B HB2 1 ATOM 4250 H HB3 . GLN B 1 55 ? -25.601 16.451 33.585 1.00 16.04 ? 55 GLN B HB3 1 ATOM 4251 H HG2 . GLN B 1 55 ? -27.020 17.941 32.420 1.00 22.19 ? 55 GLN B HG2 1 ATOM 4252 H HG3 . GLN B 1 55 ? -25.804 18.708 33.093 1.00 22.19 ? 55 GLN B HG3 1 ATOM 4253 H HE21 . GLN B 1 55 ? -25.012 20.325 30.330 1.00 45.32 ? 55 GLN B HE21 1 ATOM 4254 H HE22 . GLN B 1 55 ? -25.147 20.355 31.813 1.00 45.32 ? 55 GLN B HE22 1 ATOM 4255 N N . GLY B 1 56 ? -22.674 18.857 32.997 1.00 8.85 ? 56 GLY B N 1 ATOM 4256 C CA . GLY B 1 56 ? -22.051 19.917 33.769 1.00 9.47 ? 56 GLY B CA 1 ATOM 4257 C C . GLY B 1 56 ? -20.771 19.546 34.506 1.00 10.44 ? 56 GLY B C 1 ATOM 4258 O O . GLY B 1 56 ? -20.261 20.343 35.298 1.00 12.81 ? 56 GLY B O 1 ATOM 4259 H H . GLY B 1 56 ? -22.603 18.971 32.148 1.00 10.60 ? 56 GLY B H 1 ATOM 4260 H HA2 . GLY B 1 56 ? -21.844 20.654 33.173 1.00 11.35 ? 56 GLY B HA2 1 ATOM 4261 H HA3 . GLY B 1 56 ? -22.687 20.237 34.427 1.00 11.35 ? 56 GLY B HA3 1 ATOM 4262 N N . ARG B 1 57 ? -20.248 18.360 34.243 1.00 8.97 ? 57 ARG B N 1 ATOM 4263 C CA A ARG B 1 57 ? -19.037 17.922 34.930 0.64 8.39 ? 57 ARG B CA 1 ATOM 4264 C CA B ARG B 1 57 ? -19.071 17.842 34.952 0.36 8.90 ? 57 ARG B CA 1 ATOM 4265 C C . ARG B 1 57 ? -17.994 17.357 33.972 1.00 9.04 ? 57 ARG B C 1 ATOM 4266 O O . ARG B 1 57 ? -18.145 16.281 33.385 1.00 11.52 ? 57 ARG B O 1 ATOM 4267 C CB A ARG B 1 57 ? -19.379 16.912 36.017 0.64 8.85 ? 57 ARG B CB 1 ATOM 4268 C CB B ARG B 1 57 ? -19.474 16.661 35.852 0.36 10.40 ? 57 ARG B CB 1 ATOM 4269 C CG A ARG B 1 57 ? -20.121 17.495 37.208 0.64 10.07 ? 57 ARG B CG 1 ATOM 4270 C CG B ARG B 1 57 ? -20.469 16.968 36.976 0.36 12.12 ? 57 ARG B CG 1 ATOM 4271 C CD A ARG B 1 57 ? -19.183 18.294 38.090 0.64 16.96 ? 57 ARG B CD 1 ATOM 4272 C CD B ARG B 1 57 ? -19.805 17.603 38.174 0.36 15.57 ? 57 ARG B CD 1 ATOM 4273 N NE A ARG B 1 57 ? -19.823 19.014 39.202 0.64 24.65 ? 57 ARG B NE 1 ATOM 4274 N NE B ARG B 1 57 ? -20.646 17.509 39.363 0.36 25.16 ? 57 ARG B NE 1 ATOM 4275 C CZ A ARG B 1 57 ? -20.860 18.596 39.929 0.64 30.62 ? 57 ARG B CZ 1 ATOM 4276 C CZ B ARG B 1 57 ? -21.360 18.511 39.869 0.36 29.65 ? 57 ARG B CZ 1 ATOM 4277 N NH1 A ARG B 1 57 ? -21.446 17.421 39.707 0.64 30.75 ? 57 ARG B NH1 1 ATOM 4278 N NH1 B ARG B 1 57 ? -21.344 19.695 39.285 0.36 33.42 ? 57 ARG B NH1 1 ATOM 4279 N NH2 A ARG B 1 57 ? -21.326 19.368 40.907 0.64 28.51 ? 57 ARG B NH2 1 ATOM 4280 N NH2 B ARG B 1 57 ? -22.104 18.328 40.956 0.36 25.73 ? 57 ARG B NH2 1 ATOM 4281 H H A ARG B 1 57 ? -20.566 17.794 33.679 0.64 10.76 ? 57 ARG B H 1 ATOM 4282 H H B ARG B 1 57 ? -20.556 17.821 33.648 0.36 10.76 ? 57 ARG B H 1 ATOM 4283 H HA A ARG B 1 57 ? -18.636 18.700 35.371 0.64 10.06 ? 57 ARG B HA 1 ATOM 4284 H HA B ARG B 1 57 ? -18.689 18.548 35.513 0.36 10.67 ? 57 ARG B HA 1 ATOM 4285 H HB2 A ARG B 1 57 ? -19.939 16.220 35.632 0.64 10.61 ? 57 ARG B HB2 1 ATOM 4286 H HB2 B ARG B 1 57 ? -19.873 15.976 35.294 0.36 12.46 ? 57 ARG B HB2 1 ATOM 4287 H HB3 A ARG B 1 57 ? -18.555 16.520 36.346 0.64 10.61 ? 57 ARG B HB3 1 ATOM 4288 H HB3 B ARG B 1 57 ? -18.671 16.309 36.268 0.36 12.46 ? 57 ARG B HB3 1 ATOM 4289 H HG2 A ARG B 1 57 ? -20.822 18.087 36.893 0.64 12.08 ? 57 ARG B HG2 1 ATOM 4290 H HG2 B ARG B 1 57 ? -21.143 17.583 36.644 0.36 14.53 ? 57 ARG B HG2 1 ATOM 4291 H HG3 A ARG B 1 57 ? -20.499 16.775 37.737 0.64 12.08 ? 57 ARG B HG3 1 ATOM 4292 H HG3 B ARG B 1 57 ? -20.886 16.142 37.265 0.36 14.53 ? 57 ARG B HG3 1 ATOM 4293 H HD2 A ARG B 1 57 ? -18.531 17.686 38.473 0.64 20.34 ? 57 ARG B HD2 1 ATOM 4294 H HD2 B ARG B 1 57 ? -18.969 17.146 38.356 0.36 18.68 ? 57 ARG B HD2 1 ATOM 4295 H HD3 A ARG B 1 57 ? -18.729 18.951 37.540 0.64 20.34 ? 57 ARG B HD3 1 ATOM 4296 H HD3 B ARG B 1 57 ? -19.642 18.541 37.990 0.36 18.68 ? 57 ARG B HD3 1 ATOM 4297 H HE A ARG B 1 57 ? -19.452 19.881 39.430 0.64 29.57 ? 57 ARG B HE 1 ATOM 4298 H HE B ARG B 1 57 ? -20.687 16.653 39.818 0.36 30.18 ? 57 ARG B HE 1 ATOM 4299 H HH11 A ARG B 1 57 ? -21.157 16.909 39.079 0.64 36.89 ? 57 ARG B HH11 1 ATOM 4300 H HH11 B ARG B 1 57 ? -20.867 19.821 38.580 0.36 40.09 ? 57 ARG B HH11 1 ATOM 4301 H HH12 A ARG B 1 57 ? -22.113 17.174 40.190 0.64 36.89 ? 57 ARG B HH12 1 ATOM 4302 H HH12 B ARG B 1 57 ? -21.806 20.342 39.612 0.36 40.09 ? 57 ARG B HH12 1 ATOM 4303 H HH21 A ARG B 1 57 ? -20.959 20.130 41.065 0.64 34.20 ? 57 ARG B HH21 1 ATOM 4304 H HH21 B ARG B 1 57 ? -22.121 17.560 41.342 0.36 30.86 ? 57 ARG B HH21 1 ATOM 4305 H HH22 A ARG B 1 57 ? -21.994 19.106 41.381 0.64 34.20 ? 57 ARG B HH22 1 ATOM 4306 H HH22 B ARG B 1 57 ? -22.563 18.981 41.277 0.36 30.86 ? 57 ARG B HH22 1 ATOM 4307 N N . ASP B 1 58 ? -16.921 18.124 33.824 1.00 7.94 ? 58 ASP B N 1 ATOM 4308 C CA . ASP B 1 58 ? -15.788 17.717 32.990 1.00 9.29 ? 58 ASP B CA 1 ATOM 4309 C C . ASP B 1 58 ? -14.897 16.789 33.779 1.00 7.70 ? 58 ASP B C 1 ATOM 4310 O O . ASP B 1 58 ? -14.810 16.839 35.000 1.00 9.04 ? 58 ASP B O 1 ATOM 4311 C CB . ASP B 1 58 ? -14.974 18.947 32.571 1.00 10.01 ? 58 ASP B CB 1 ATOM 4312 C CG . ASP B 1 58 ? -13.933 18.638 31.496 1.00 8.62 ? 58 ASP B CG 1 ATOM 4313 O OD1 . ASP B 1 58 ? -14.224 17.768 30.641 1.00 8.34 ? 58 ASP B OD1 1 ATOM 4314 O OD2 . ASP B 1 58 ? -12.872 19.287 31.523 1.00 9.94 ? 58 ASP B OD2 1 ATOM 4315 H H . ASP B 1 58 ? -16.821 18.892 34.198 1.00 9.52 ? 58 ASP B H 1 ATOM 4316 H HA . ASP B 1 58 ? -16.107 17.253 32.188 1.00 11.14 ? 58 ASP B HA 1 ATOM 4317 H HB2 . ASP B 1 58 ? -15.578 19.619 32.217 1.00 12.00 ? 58 ASP B HB2 1 ATOM 4318 H HB3 . ASP B 1 58 ? -14.509 19.297 33.346 1.00 12.00 ? 58 ASP B HB3 1 ATOM 4319 N N . ASN B 1 59 ? -14.198 15.936 33.043 1.00 8.14 ? 59 ASN B N 1 ATOM 4320 C CA . ASN B 1 59 ? -13.193 15.056 33.637 1.00 7.84 ? 59 ASN B CA 1 ATOM 4321 C C . ASN B 1 59 ? -13.725 14.241 34.818 1.00 7.66 ? 59 ASN B C 1 ATOM 4322 O O . ASN B 1 59 ? -13.068 14.127 35.865 1.00 8.00 ? 59 ASN B O 1 ATOM 4323 C CB . ASN B 1 59 ? -11.926 15.845 34.004 1.00 8.74 ? 59 ASN B CB 1 ATOM 4324 C CG . ASN B 1 59 ? -11.333 16.569 32.817 1.00 7.99 ? 59 ASN B CG 1 ATOM 4325 O OD1 . ASN B 1 59 ? -11.722 16.321 31.675 1.00 7.78 ? 59 ASN B OD1 1 ATOM 4326 N ND2 . ASN B 1 59 ? -10.394 17.455 33.063 1.00 9.34 ? 59 ASN B ND2 1 ATOM 4327 H H . ASN B 1 59 ? -14.285 15.845 32.193 1.00 9.75 ? 59 ASN B H 1 ATOM 4328 H HA . ASN B 1 59 ? -12.928 14.408 32.951 1.00 9.40 ? 59 ASN B HA 1 ATOM 4329 H HB2 . ASN B 1 59 ? -12.148 16.506 34.679 1.00 10.48 ? 59 ASN B HB2 1 ATOM 4330 H HB3 . ASN B 1 59 ? -11.258 15.231 34.346 1.00 10.48 ? 59 ASN B HB3 1 ATOM 4331 H HD21 . ASN B 1 59 ? -9.981 17.949 32.324 1.00 11.20 ? 59 ASN B HD21 1 ATOM 4332 H HD22 . ASN B 1 59 ? -10.108 17.623 33.985 1.00 11.20 ? 59 ASN B HD22 1 ATOM 4333 N N . GLU B 1 60 ? -14.930 13.718 34.655 1.00 7.11 ? 60 GLU B N 1 ATOM 4334 C CA . GLU B 1 60 ? -15.558 12.945 35.715 1.00 7.55 ? 60 GLU B CA 1 ATOM 4335 C C . GLU B 1 60 ? -14.828 11.594 35.896 1.00 7.04 ? 60 GLU B C 1 ATOM 4336 O O . GLU B 1 60 ? -14.623 11.142 37.023 1.00 8.09 ? 60 GLU B O 1 ATOM 4337 C CB . GLU B 1 60 ? -17.049 12.786 35.433 1.00 8.49 ? 60 GLU B CB 1 ATOM 4338 C CG . GLU B 1 60 ? -17.860 12.121 36.533 1.00 7.93 ? 60 GLU B CG 1 ATOM 4339 C CD . GLU B 1 60 ? -17.897 12.869 37.852 1.00 9.85 ? 60 GLU B CD 1 ATOM 4340 O OE1 . GLU B 1 60 ? -17.498 14.044 37.902 1.00 10.61 ? 60 GLU B OE1 1 ATOM 4341 O OE2 . GLU B 1 60 ? -18.296 12.233 38.864 1.00 10.33 ? 60 GLU B OE2 1 ATOM 4342 H H . GLU B 1 60 ? -15.405 13.795 33.942 1.00 8.52 ? 60 GLU B H 1 ATOM 4343 H HA . GLU B 1 60 ? -15.469 13.441 36.556 1.00 9.05 ? 60 GLU B HA 1 ATOM 4344 H HB2 . GLU B 1 60 ? -17.428 13.667 35.285 1.00 10.18 ? 60 GLU B HB2 1 ATOM 4345 H HB3 . GLU B 1 60 ? -17.154 12.251 34.631 1.00 10.18 ? 60 GLU B HB3 1 ATOM 4346 H HG2 . GLU B 1 60 ? -18.775 12.026 36.226 1.00 9.51 ? 60 GLU B HG2 1 ATOM 4347 H HG3 . GLU B 1 60 ? -17.483 11.244 36.706 1.00 9.51 ? 60 GLU B HG3 1 ATOM 4348 N N . LEU B 1 61 ? -14.420 10.980 34.782 1.00 7.53 ? 61 LEU B N 1 ATOM 4349 C CA . LEU B 1 61 ? -13.546 9.800 34.806 1.00 7.54 ? 61 LEU B CA 1 ATOM 4350 C C . LEU B 1 61 ? -12.776 9.898 33.512 1.00 8.42 ? 61 LEU B C 1 ATOM 4351 O O . LEU B 1 61 ? -13.352 9.839 32.430 1.00 9.54 ? 61 LEU B O 1 ATOM 4352 C CB . LEU B 1 61 ? -14.395 8.530 34.910 1.00 8.32 ? 61 LEU B CB 1 ATOM 4353 C CG . LEU B 1 61 ? -13.759 7.169 35.138 1.00 8.28 ? 61 LEU B CG 1 ATOM 4354 C CD1 . LEU B 1 61 ? -14.811 6.102 35.278 1.00 9.67 ? 61 LEU B CD1 1 ATOM 4355 C CD2 . LEU B 1 61 ? -12.796 6.783 34.006 1.00 11.23 ? 61 LEU B CD2 1 ATOM 4356 H H . LEU B 1 61 ? -14.638 11.230 33.989 1.00 9.02 ? 61 LEU B H 1 ATOM 4357 H HA . LEU B 1 61 ? -12.926 9.845 35.563 1.00 9.04 ? 61 LEU B HA 1 ATOM 4358 H HB2 . LEU B 1 61 ? -15.018 8.662 35.641 1.00 9.97 ? 61 LEU B HB2 1 ATOM 4359 H HB3 . LEU B 1 61 ? -14.901 8.456 34.085 1.00 9.97 ? 61 LEU B HB3 1 ATOM 4360 H HG . LEU B 1 61 ? -13.251 7.195 35.964 1.00 9.93 ? 61 LEU B HG 1 ATOM 4361 H HD11 . LEU B 1 61 ? -14.380 5.256 35.421 1.00 11.59 ? 61 LEU B HD11 1 ATOM 4362 H HD12 . LEU B 1 61 ? -15.373 6.315 36.027 1.00 11.59 ? 61 LEU B HD12 1 ATOM 4363 H HD13 . LEU B 1 61 ? -15.334 6.072 34.474 1.00 11.59 ? 61 LEU B HD13 1 ATOM 4364 H HD21 . LEU B 1 61 ? -12.421 5.920 34.195 1.00 13.46 ? 61 LEU B HD21 1 ATOM 4365 H HD22 . LEU B 1 61 ? -13.282 6.755 33.178 1.00 13.46 ? 61 LEU B HD22 1 ATOM 4366 H HD23 . LEU B 1 61 ? -12.097 7.439 33.954 1.00 13.46 ? 61 LEU B HD23 1 ATOM 4367 N N . LEU B 1 62 ? -11.468 10.084 33.612 1.00 6.59 ? 62 LEU B N 1 ATOM 4368 C CA . LEU B 1 62 ? -10.646 10.275 32.422 1.00 5.66 ? 62 LEU B CA 1 ATOM 4369 C C . LEU B 1 62 ? -9.345 9.508 32.573 1.00 7.21 ? 62 LEU B C 1 ATOM 4370 O O . LEU B 1 62 ? -8.640 9.637 33.580 1.00 7.81 ? 62 LEU B O 1 ATOM 4371 C CB . LEU B 1 62 ? -10.317 11.757 32.255 1.00 6.75 ? 62 LEU B CB 1 ATOM 4372 C CG . LEU B 1 62 ? -9.293 12.170 31.160 1.00 6.44 ? 62 LEU B CG 1 ATOM 4373 C CD1 . LEU B 1 62 ? -9.724 11.796 29.744 1.00 8.11 ? 62 LEU B CD1 1 ATOM 4374 C CD2 . LEU B 1 62 ? -9.008 13.669 31.262 1.00 7.92 ? 62 LEU B CD2 1 ATOM 4375 H H . LEU B 1 62 ? -11.032 10.103 34.353 1.00 7.89 ? 62 LEU B H 1 ATOM 4376 H HA . LEU B 1 62 ? -11.120 9.956 31.626 1.00 6.78 ? 62 LEU B HA 1 ATOM 4377 H HB2 . LEU B 1 62 ? -11.143 12.224 32.055 1.00 8.09 ? 62 LEU B HB2 1 ATOM 4378 H HB3 . LEU B 1 62 ? -9.969 12.081 33.100 1.00 8.09 ? 62 LEU B HB3 1 ATOM 4379 H HG . LEU B 1 62 ? -8.459 11.707 31.337 1.00 7.71 ? 62 LEU B HG 1 ATOM 4380 H HD11 . LEU B 1 62 ? -9.046 12.080 29.126 1.00 9.73 ? 62 LEU B HD11 1 ATOM 4381 H HD12 . LEU B 1 62 ? -9.835 10.844 29.693 1.00 9.73 ? 62 LEU B HD12 1 ATOM 4382 H HD13 . LEU B 1 62 ? -10.554 12.234 29.544 1.00 9.73 ? 62 LEU B HD13 1 ATOM 4383 H HD21 . LEU B 1 62 ? -8.375 13.912 30.582 1.00 9.49 ? 62 LEU B HD21 1 ATOM 4384 H HD22 . LEU B 1 62 ? -9.828 14.152 31.135 1.00 9.49 ? 62 LEU B HD22 1 ATOM 4385 H HD23 . LEU B 1 62 ? -8.646 13.859 32.130 1.00 9.49 ? 62 LEU B HD23 1 ATOM 4386 N N . VAL B 1 63 ? -9.022 8.728 31.547 1.00 6.07 ? 63 VAL B N 1 ATOM 4387 C CA . VAL B 1 63 ? -7.720 8.036 31.460 1.00 6.66 ? 63 VAL B CA 1 ATOM 4388 C C . VAL B 1 63 ? -6.921 8.768 30.385 1.00 7.49 ? 63 VAL B C 1 ATOM 4389 O O . VAL B 1 63 ? -7.349 8.842 29.227 1.00 7.85 ? 63 VAL B O 1 ATOM 4390 C CB . VAL B 1 63 ? -7.877 6.551 31.091 1.00 6.21 ? 63 VAL B CB 1 ATOM 4391 C CG1 . VAL B 1 63 ? -6.509 5.852 31.054 1.00 7.29 ? 63 VAL B CG1 1 ATOM 4392 C CG2 . VAL B 1 63 ? -8.761 5.846 32.094 1.00 8.74 ? 63 VAL B CG2 1 ATOM 4393 H H . VAL B 1 63 ? -9.540 8.576 30.877 1.00 7.27 ? 63 VAL B H 1 ATOM 4394 H HA . VAL B 1 63 ? -7.246 8.106 32.315 1.00 7.98 ? 63 VAL B HA 1 ATOM 4395 H HB . VAL B 1 63 ? -8.289 6.475 30.205 1.00 7.44 ? 63 VAL B HB 1 ATOM 4396 H HG11 . VAL B 1 63 ? -6.637 4.929 30.821 1.00 8.73 ? 63 VAL B HG11 1 ATOM 4397 H HG12 . VAL B 1 63 ? -5.957 6.282 30.397 1.00 8.73 ? 63 VAL B HG12 1 ATOM 4398 H HG13 . VAL B 1 63 ? -6.101 5.918 31.920 1.00 8.73 ? 63 VAL B HG13 1 ATOM 4399 H HG21 . VAL B 1 63 ? -8.844 4.923 31.843 1.00 10.48 ? 63 VAL B HG21 1 ATOM 4400 H HG22 . VAL B 1 63 ? -8.362 5.915 32.964 1.00 10.48 ? 63 VAL B HG22 1 ATOM 4401 H HG23 . VAL B 1 63 ? -9.626 6.264 32.096 1.00 10.48 ? 63 VAL B HG23 1 ATOM 4402 N N . TYR B 1 64 ? -5.802 9.327 30.798 1.00 5.89 ? 64 TYR B N 1 ATOM 4403 C CA . TYR B 1 64 ? -5.066 10.269 29.986 1.00 7.27 ? 64 TYR B CA 1 ATOM 4404 C C . TYR B 1 64 ? -3.587 9.888 29.949 1.00 8.38 ? 64 TYR B C 1 ATOM 4405 O O . TYR B 1 64 ? -2.992 9.595 30.968 1.00 8.42 ? 64 TYR B O 1 ATOM 4406 C CB . TYR B 1 64 ? -5.232 11.682 30.589 1.00 9.04 ? 64 TYR B CB 1 ATOM 4407 C CG . TYR B 1 64 ? -4.857 12.818 29.672 1.00 7.54 ? 64 TYR B CG 1 ATOM 4408 C CD1 . TYR B 1 64 ? -5.719 13.205 28.672 1.00 8.66 ? 64 TYR B CD1 1 ATOM 4409 C CD2 . TYR B 1 64 ? -3.667 13.530 29.838 1.00 10.08 ? 64 TYR B CD2 1 ATOM 4410 C CE1 . TYR B 1 64 ? -5.411 14.233 27.810 1.00 8.66 ? 64 TYR B CE1 1 ATOM 4411 C CE2 . TYR B 1 64 ? -3.345 14.602 29.015 1.00 9.46 ? 64 TYR B CE2 1 ATOM 4412 C CZ . TYR B 1 64 ? -4.234 14.962 28.007 1.00 9.40 ? 64 TYR B CZ 1 ATOM 4413 O OH . TYR B 1 64 ? -3.944 16.014 27.149 1.00 11.83 ? 64 TYR B OH 1 ATOM 4414 H H . TYR B 1 64 ? -5.440 9.172 31.563 1.00 7.06 ? 64 TYR B H 1 ATOM 4415 H HA . TYR B 1 64 ? -5.418 10.269 29.072 1.00 8.71 ? 64 TYR B HA 1 ATOM 4416 H HB2 . TYR B 1 64 ? -6.162 11.803 30.839 1.00 10.84 ? 64 TYR B HB2 1 ATOM 4417 H HB3 . TYR B 1 64 ? -4.673 11.747 31.379 1.00 10.84 ? 64 TYR B HB3 1 ATOM 4418 H HD1 . TYR B 1 64 ? -6.510 12.731 28.547 1.00 10.38 ? 64 TYR B HD1 1 ATOM 4419 H HD2 . TYR B 1 64 ? -3.089 13.296 30.528 1.00 12.08 ? 64 TYR B HD2 1 ATOM 4420 H HE1 . TYR B 1 64 ? -6.010 14.483 27.145 1.00 10.38 ? 64 TYR B HE1 1 ATOM 4421 H HE2 . TYR B 1 64 ? -2.550 15.069 29.134 1.00 11.35 ? 64 TYR B HE2 1 ATOM 4422 H HH . TYR B 1 64 ? -3.233 15.876 26.766 1.00 14.19 ? 64 TYR B HH 1 ATOM 4423 N N . LYS B 1 65 ? -3.001 9.904 28.757 1.00 6.98 ? 65 LYS B N 1 ATOM 4424 C CA . LYS B 1 65 ? -1.575 9.591 28.604 1.00 7.08 ? 65 LYS B CA 1 ATOM 4425 C C . LYS B 1 65 ? -0.808 10.872 28.487 1.00 8.30 ? 65 LYS B C 1 ATOM 4426 O O . LYS B 1 65 ? -0.892 11.596 27.503 1.00 9.27 ? 65 LYS B O 1 ATOM 4427 C CB . LYS B 1 65 ? -1.366 8.737 27.363 1.00 9.88 ? 65 LYS B CB 1 ATOM 4428 C CG . LYS B 1 65 ? 0.033 8.207 27.213 1.00 10.32 ? 65 LYS B CG 1 ATOM 4429 C CD . LYS B 1 65 ? 0.207 7.024 28.123 1.00 12.60 ? 65 LYS B CD 1 ATOM 4430 C CE . LYS B 1 65 ? 1.629 6.473 28.058 1.00 14.10 ? 65 LYS B CE 1 ATOM 4431 N NZ . LYS B 1 65 ? 2.068 6.155 26.673 1.00 15.21 ? 65 LYS B NZ 1 ATOM 4432 H H . LYS B 1 65 ? -3.402 10.093 28.020 1.00 8.36 ? 65 LYS B H 1 ATOM 4433 H HA . LYS B 1 65 ? -1.255 9.098 29.388 1.00 8.48 ? 65 LYS B HA 1 ATOM 4434 H HB2 . LYS B 1 65 ? -1.968 7.977 27.403 1.00 11.85 ? 65 LYS B HB2 1 ATOM 4435 H HB3 . LYS B 1 65 ? -1.565 9.272 26.579 1.00 11.85 ? 65 LYS B HB3 1 ATOM 4436 H HG2 . LYS B 1 65 ? 0.179 7.920 26.298 1.00 12.37 ? 65 LYS B HG2 1 ATOM 4437 H HG3 . LYS B 1 65 ? 0.672 8.891 27.465 1.00 12.37 ? 65 LYS B HG3 1 ATOM 4438 H HD2 . LYS B 1 65 ? 0.027 7.294 29.037 1.00 15.11 ? 65 LYS B HD2 1 ATOM 4439 H HD3 . LYS B 1 65 ? -0.404 6.320 27.854 1.00 15.11 ? 65 LYS B HD3 1 ATOM 4440 H HE2 . LYS B 1 65 ? 2.239 7.134 28.421 1.00 16.90 ? 65 LYS B HE2 1 ATOM 4441 H HE3 . LYS B 1 65 ? 1.675 5.658 28.581 1.00 16.90 ? 65 LYS B HE3 1 ATOM 4442 H HZ1 . LYS B 1 65 ? 1.488 5.494 26.288 1.00 18.24 ? 65 LYS B HZ1 1 ATOM 4443 H HZ2 . LYS B 1 65 ? 2.043 6.947 26.131 1.00 18.24 ? 65 LYS B HZ2 1 ATOM 4444 H HZ3 . LYS B 1 65 ? 2.965 5.813 26.684 1.00 18.24 ? 65 LYS B HZ3 1 ATOM 4445 N N . GLU B 1 66 ? -0.048 11.164 29.529 1.00 11.36 ? 66 GLU B N 1 ATOM 4446 C CA . GLU B 1 66 ? 0.651 12.434 29.640 1.00 12.53 ? 66 GLU B CA 1 ATOM 4447 C C . GLU B 1 66 ? 1.841 12.554 28.672 1.00 9.81 ? 66 GLU B C 1 ATOM 4448 O O . GLU B 1 66 ? 2.119 13.602 28.093 1.00 11.75 ? 66 GLU B O 1 ATOM 4449 C CB . GLU B 1 66 ? 1.212 12.546 31.064 1.00 12.50 ? 66 GLU B CB 1 ATOM 4450 C CG . GLU B 1 66 ? 0.149 12.498 32.196 1.00 13.95 ? 66 GLU B CG 1 ATOM 4451 C CD . GLU B 1 66 ? -0.787 13.684 32.230 1.00 12.54 ? 66 GLU B CD 1 ATOM 4452 O OE1 . GLU B 1 66 ? -0.578 14.652 31.468 1.00 14.06 ? 66 GLU B OE1 1 ATOM 4453 O OE2 . GLU B 1 66 ? -1.770 13.642 33.035 1.00 14.76 ? 66 GLU B OE2 1 ATOM 4454 H H . GLU B 1 66 ? 0.081 10.636 30.195 1.00 13.62 ? 66 GLU B H 1 ATOM 4455 H HA . GLU B 1 66 ? 0.031 13.176 29.481 1.00 15.03 ? 66 GLU B HA 1 ATOM 4456 H HB2 . GLU B 1 66 ? 1.829 11.812 31.210 1.00 14.99 ? 66 GLU B HB2 1 ATOM 4457 H HB3 . GLU B 1 66 ? 1.686 13.389 31.143 1.00 14.99 ? 66 GLU B HB3 1 ATOM 4458 H HG2 . GLU B 1 66 ? -0.391 11.701 32.081 1.00 16.73 ? 66 GLU B HG2 1 ATOM 4459 H HG3 . GLU B 1 66 ? 0.607 12.461 33.050 1.00 16.73 ? 66 GLU B HG3 1 ATOM 4460 N N . ARG B 1 67 ? 2.548 11.452 28.560 1.00 9.71 ? 67 ARG B N 1 ATOM 4461 C CA . ARG B 1 67 ? 3.798 11.326 27.826 1.00 9.26 ? 67 ARG B CA 1 ATOM 4462 C C . ARG B 1 67 ? 4.185 9.871 27.960 1.00 11.74 ? 67 ARG B C 1 ATOM 4463 O O . ARG B 1 67 ? 3.571 9.110 28.736 1.00 9.30 ? 67 ARG B O 1 ATOM 4464 C CB . ARG B 1 67 ? 4.909 12.243 28.377 1.00 9.96 ? 67 ARG B CB 1 ATOM 4465 C CG . ARG B 1 67 ? 5.224 12.023 29.844 1.00 13.77 ? 67 ARG B CG 1 ATOM 4466 C CD . ARG B 1 67 ? 6.329 12.974 30.372 1.00 18.61 ? 67 ARG B CD 1 ATOM 4467 N NE . ARG B 1 67 ? 5.981 14.367 30.113 1.00 22.18 ? 67 ARG B NE 1 ATOM 4468 C CZ . ARG B 1 67 ? 5.173 15.099 30.868 1.00 25.05 ? 67 ARG B CZ 1 ATOM 4469 N NH1 . ARG B 1 67 ? 4.614 14.598 31.962 1.00 29.16 ? 67 ARG B NH1 1 ATOM 4470 N NH2 . ARG B 1 67 ? 4.913 16.360 30.516 1.00 32.10 ? 67 ARG B NH2 1 ATOM 4471 H H . ARG B 1 67 ? 2.309 10.711 28.925 1.00 11.64 ? 67 ARG B H 1 ATOM 4472 H HA . ARG B 1 67 ? 3.653 11.532 26.879 1.00 11.10 ? 67 ARG B HA 1 ATOM 4473 H HB2 . ARG B 1 67 ? 5.723 12.084 27.873 1.00 11.94 ? 67 ARG B HB2 1 ATOM 4474 H HB3 . ARG B 1 67 ? 4.633 13.167 28.270 1.00 11.94 ? 67 ARG B HB3 1 ATOM 4475 H HG2 . ARG B 1 67 ? 4.421 12.177 30.366 1.00 16.51 ? 67 ARG B HG2 1 ATOM 4476 H HG3 . ARG B 1 67 ? 5.530 11.110 29.968 1.00 16.51 ? 67 ARG B HG3 1 ATOM 4477 H HD2 . ARG B 1 67 ? 6.426 12.855 31.330 1.00 22.32 ? 67 ARG B HD2 1 ATOM 4478 H HD3 . ARG B 1 67 ? 7.165 12.778 29.921 1.00 22.32 ? 67 ARG B HD3 1 ATOM 4479 H HE . ARG B 1 67 ? 6.371 14.789 29.332 1.00 26.61 ? 67 ARG B HE 1 ATOM 4480 H HH11 . ARG B 1 67 ? 4.773 13.784 32.191 1.00 34.98 ? 67 ARG B HH11 1 ATOM 4481 H HH12 . ARG B 1 67 ? 4.094 15.086 32.442 1.00 34.98 ? 67 ARG B HH12 1 ATOM 4482 H HH21 . ARG B 1 67 ? 5.274 16.693 29.810 1.00 38.51 ? 67 ARG B HH21 1 ATOM 4483 H HH22 . ARG B 1 67 ? 4.396 16.845 31.004 1.00 38.51 ? 67 ARG B HH22 1 ATOM 4484 N N . VAL B 1 68 ? 5.201 9.442 27.226 1.00 10.01 ? 68 VAL B N 1 ATOM 4485 C CA . VAL B 1 68 ? 5.669 8.091 27.316 1.00 8.71 ? 68 VAL B CA 1 ATOM 4486 C C . VAL B 1 68 ? 5.938 7.722 28.798 1.00 9.20 ? 68 VAL B C 1 ATOM 4487 O O . VAL B 1 68 ? 6.554 8.483 29.552 1.00 11.83 ? 68 VAL B O 1 ATOM 4488 C CB A VAL B 1 68 ? 6.980 7.883 26.512 0.17 12.04 ? 68 VAL B CB 1 ATOM 4489 C CB B VAL B 1 68 ? 6.884 7.884 26.379 0.83 10.79 ? 68 VAL B CB 1 ATOM 4490 C CG1 A VAL B 1 68 ? 7.821 6.763 27.121 0.17 12.06 ? 68 VAL B CG1 1 ATOM 4491 C CG1 B VAL B 1 68 ? 8.056 8.713 26.858 0.83 12.47 ? 68 VAL B CG1 1 ATOM 4492 C CG2 A VAL B 1 68 ? 6.691 7.611 25.051 0.17 10.44 ? 68 VAL B CG2 1 ATOM 4493 C CG2 B VAL B 1 68 ? 7.278 6.422 26.295 0.83 13.39 ? 68 VAL B CG2 1 ATOM 4494 H H . VAL B 1 68 ? 5.634 9.928 26.665 1.00 12.00 ? 68 VAL B H 1 ATOM 4495 H HA . VAL B 1 68 ? 4.966 7.493 26.987 1.00 10.44 ? 68 VAL B HA 1 ATOM 4496 H HB A VAL B 1 68 ? 7.507 8.708 26.559 0.17 14.43 ? 68 VAL B HB 1 ATOM 4497 H HB B VAL B 1 68 ? 6.647 8.187 25.478 0.83 12.94 ? 68 VAL B HB 1 ATOM 4498 H HG11 A VAL B 1 68 ? 8.623 6.659 26.603 0.17 14.46 ? 68 VAL B HG11 1 ATOM 4499 H HG11 B VAL B 1 68 ? 8.799 8.573 26.267 0.83 14.96 ? 68 VAL B HG11 1 ATOM 4500 H HG12 A VAL B 1 68 ? 8.043 6.996 28.025 0.17 14.46 ? 68 VAL B HG12 1 ATOM 4501 H HG12 B VAL B 1 68 ? 7.805 9.640 26.855 0.83 14.96 ? 68 VAL B HG12 1 ATOM 4502 H HG13 A VAL B 1 68 ? 7.314 5.949 27.107 0.17 14.46 ? 68 VAL B HG13 1 ATOM 4503 H HG13 B VAL B 1 68 ? 8.289 8.440 27.748 0.83 14.96 ? 68 VAL B HG13 1 ATOM 4504 H HG21 A VAL B 1 68 ? 7.522 7.488 24.586 0.17 12.51 ? 68 VAL B HG21 1 ATOM 4505 H HG21 B VAL B 1 68 ? 8.031 6.335 25.707 0.83 16.05 ? 68 VAL B HG21 1 ATOM 4506 H HG22 A VAL B 1 68 ? 6.156 6.817 24.982 0.17 12.51 ? 68 VAL B HG22 1 ATOM 4507 H HG22 B VAL B 1 68 ? 7.509 6.109 27.173 0.83 16.05 ? 68 VAL B HG22 1 ATOM 4508 H HG23 A VAL B 1 68 ? 6.216 8.359 24.682 0.17 12.51 ? 68 VAL B HG23 1 ATOM 4509 H HG23 B VAL B 1 68 ? 6.535 5.918 25.953 0.83 16.05 ? 68 VAL B HG23 1 ATOM 4510 N N . GLY B 1 69 ? 5.455 6.556 29.173 1.00 9.29 ? 69 GLY B N 1 ATOM 4511 C CA . GLY B 1 69 ? 5.699 6.017 30.495 1.00 11.18 ? 69 GLY B CA 1 ATOM 4512 C C . GLY B 1 69 ? 4.857 6.618 31.607 1.00 11.86 ? 69 GLY B C 1 ATOM 4513 O O . GLY B 1 69 ? 5.101 6.290 32.763 1.00 13.03 ? 69 GLY B O 1 ATOM 4514 H H . GLY B 1 69 ? 4.975 6.047 28.673 1.00 11.13 ? 69 GLY B H 1 ATOM 4515 H HA2 . GLY B 1 69 ? 5.533 5.061 30.480 1.00 13.40 ? 69 GLY B HA2 1 ATOM 4516 H HA3 . GLY B 1 69 ? 6.633 6.154 30.722 1.00 13.40 ? 69 GLY B HA3 1 ATOM 4517 N N . GLU B 1 70 ? 3.871 7.454 31.289 1.00 8.49 ? 70 GLU B N 1 ATOM 4518 C CA . GLU B 1 70 ? 3.109 8.111 32.359 1.00 8.90 ? 70 GLU B CA 1 ATOM 4519 C C . GLU B 1 70 ? 1.619 8.093 32.069 1.00 8.04 ? 70 GLU B C 1 ATOM 4520 O O . GLU B 1 70 ? 1.165 8.632 31.058 1.00 10.09 ? 70 GLU B O 1 ATOM 4521 C CB . GLU B 1 70 ? 3.558 9.584 32.579 1.00 11.73 ? 70 GLU B CB 1 ATOM 4522 C CG . GLU B 1 70 ? 5.025 9.761 32.869 1.00 14.76 ? 70 GLU B CG 1 ATOM 4523 C CD . GLU B 1 70 ? 5.384 11.197 33.257 1.00 21.34 ? 70 GLU B CD 1 ATOM 4524 O OE1 . GLU B 1 70 ? 4.509 12.068 33.203 1.00 19.82 ? 70 GLU B OE1 1 ATOM 4525 O OE2 . GLU B 1 70 ? 6.557 11.437 33.623 1.00 26.99 ? 70 GLU B OE2 1 ATOM 4526 H H . GLU B 1 70 ? 3.627 7.656 30.489 1.00 10.17 ? 70 GLU B H 1 ATOM 4527 H HA . GLU B 1 70 ? 3.257 7.625 33.196 1.00 10.66 ? 70 GLU B HA 1 ATOM 4528 H HB2 . GLU B 1 70 ? 3.355 10.092 31.778 1.00 14.06 ? 70 GLU B HB2 1 ATOM 4529 H HB3 . GLU B 1 70 ? 3.065 9.949 33.330 1.00 14.06 ? 70 GLU B HB3 1 ATOM 4530 H HG2 . GLU B 1 70 ? 5.274 9.180 33.606 1.00 17.70 ? 70 GLU B HG2 1 ATOM 4531 H HG3 . GLU B 1 70 ? 5.535 9.528 32.077 1.00 17.70 ? 70 GLU B HG3 1 ATOM 4532 N N . TYR B 1 71 ? 0.896 7.492 32.990 1.00 7.53 ? 71 TYR B N 1 ATOM 4533 C CA . TYR B 1 71 ? -0.546 7.318 32.867 1.00 6.67 ? 71 TYR B CA 1 ATOM 4534 C C . TYR B 1 71 ? -1.239 8.055 34.000 1.00 5.78 ? 71 TYR B C 1 ATOM 4535 O O . TYR B 1 71 ? -0.868 7.926 35.167 1.00 8.61 ? 71 TYR B O 1 ATOM 4536 C CB . TYR B 1 71 ? -0.917 5.822 32.938 1.00 7.94 ? 71 TYR B CB 1 ATOM 4537 C CG . TYR B 1 71 ? -0.403 5.030 31.778 1.00 8.89 ? 71 TYR B CG 1 ATOM 4538 C CD1 . TYR B 1 71 ? -1.184 4.834 30.663 1.00 9.90 ? 71 TYR B CD1 1 ATOM 4539 C CD2 . TYR B 1 71 ? 0.899 4.506 31.785 1.00 8.11 ? 71 TYR B CD2 1 ATOM 4540 C CE1 . TYR B 1 71 ? -0.715 4.151 29.574 1.00 10.32 ? 71 TYR B CE1 1 ATOM 4541 C CE2 . TYR B 1 71 ? 1.393 3.816 30.668 1.00 8.75 ? 71 TYR B CE2 1 ATOM 4542 C CZ . TYR B 1 71 ? 0.557 3.630 29.587 1.00 10.68 ? 71 TYR B CZ 1 ATOM 4543 O OH . TYR B 1 71 ? 1.012 2.944 28.476 1.00 12.21 ? 71 TYR B OH 1 ATOM 4544 H H . TYR B 1 71 ? 1.221 7.166 33.716 1.00 9.02 ? 71 TYR B H 1 ATOM 4545 H HA . TYR B 1 71 ? -0.856 7.684 32.012 1.00 7.99 ? 71 TYR B HA 1 ATOM 4546 H HB2 . TYR B 1 71 ? -0.541 5.443 33.748 1.00 9.51 ? 71 TYR B HB2 1 ATOM 4547 H HB3 . TYR B 1 71 ? -1.883 5.738 32.952 1.00 9.51 ? 71 TYR B HB3 1 ATOM 4548 H HD1 . TYR B 1 71 ? -2.045 5.184 30.644 1.00 11.87 ? 71 TYR B HD1 1 ATOM 4549 H HD2 . TYR B 1 71 ? 1.449 4.645 32.522 1.00 9.72 ? 71 TYR B HD2 1 ATOM 4550 H HE1 . TYR B 1 71 ? -1.263 4.023 28.833 1.00 12.37 ? 71 TYR B HE1 1 ATOM 4551 H HE2 . TYR B 1 71 ? 2.251 3.457 30.673 1.00 10.49 ? 71 TYR B HE2 1 ATOM 4552 H HH . TYR B 1 71 ? 1.003 3.436 27.820 1.00 14.64 ? 71 TYR B HH 1 ATOM 4553 N N . SER B 1 72 ? -2.308 8.784 33.644 1.00 6.90 ? 72 SER B N 1 ATOM 4554 C CA . SER B 1 72 ? -3.096 9.504 34.659 1.00 6.95 ? 72 SER B CA 1 ATOM 4555 C C . SER B 1 72 ? -4.524 9.049 34.663 1.00 7.18 ? 72 SER B C 1 ATOM 4556 O O . SER B 1 72 ? -5.099 8.699 33.624 1.00 7.63 ? 72 SER B O 1 ATOM 4557 C CB . SER B 1 72 ? -3.093 11.015 34.403 1.00 8.43 ? 72 SER B CB 1 ATOM 4558 O OG . SER B 1 72 ? -1.798 11.563 34.506 1.00 10.01 ? 72 SER B OG 1 ATOM 4559 H H . SER B 1 72 ? -2.594 8.876 32.838 1.00 8.26 ? 72 SER B H 1 ATOM 4560 H HA . SER B 1 72 ? -2.714 9.338 35.546 1.00 8.33 ? 72 SER B HA 1 ATOM 4561 H HB2 . SER B 1 72 ? -3.433 11.182 33.510 1.00 10.10 ? 72 SER B HB2 1 ATOM 4562 H HB3 . SER B 1 72 ? -3.667 11.444 35.058 1.00 10.10 ? 72 SER B HB3 1 ATOM 4563 H HG . SER B 1 72 ? -1.823 12.371 34.365 1.00 12.00 ? 72 SER B HG 1 ATOM 4564 N N . LEU B 1 73 ? -5.089 9.057 35.863 1.00 6.60 ? 73 LEU B N 1 ATOM 4565 C CA . LEU B 1 73 ? -6.534 8.840 36.047 1.00 7.90 ? 73 LEU B CA 1 ATOM 4566 C C . LEU B 1 73 ? -7.078 10.082 36.720 1.00 7.16 ? 73 LEU B C 1 ATOM 4567 O O . LEU B 1 73 ? -6.584 10.516 37.755 1.00 8.35 ? 73 LEU B O 1 ATOM 4568 C CB . LEU B 1 73 ? -6.822 7.620 36.918 1.00 8.73 ? 73 LEU B CB 1 ATOM 4569 C CG . LEU B 1 73 ? -8.285 7.413 37.274 1.00 8.21 ? 73 LEU B CG 1 ATOM 4570 C CD1 . LEU B 1 73 ? -9.109 7.002 36.048 1.00 10.32 ? 73 LEU B CD1 1 ATOM 4571 C CD2 . LEU B 1 73 ? -8.437 6.382 38.401 1.00 9.27 ? 73 LEU B CD2 1 ATOM 4572 H H . LEU B 1 73 ? -4.661 9.186 36.597 1.00 7.91 ? 73 LEU B H 1 ATOM 4573 H HA . LEU B 1 73 ? -6.972 8.726 35.178 1.00 9.47 ? 73 LEU B HA 1 ATOM 4574 H HB2 . LEU B 1 73 ? -6.521 6.827 36.447 1.00 10.46 ? 73 LEU B HB2 1 ATOM 4575 H HB3 . LEU B 1 73 ? -6.329 7.711 37.748 1.00 10.46 ? 73 LEU B HB3 1 ATOM 4576 H HG . LEU B 1 73 ? -8.644 8.253 37.598 1.00 9.85 ? 73 LEU B HG 1 ATOM 4577 H HD11 . LEU B 1 73 ? -10.024 6.882 36.313 1.00 12.37 ? 73 LEU B HD11 1 ATOM 4578 H HD12 . LEU B 1 73 ? -9.049 7.695 35.385 1.00 12.37 ? 73 LEU B HD12 1 ATOM 4579 H HD13 . LEU B 1 73 ? -8.759 6.181 35.696 1.00 12.37 ? 73 LEU B HD13 1 ATOM 4580 H HD21 . LEU B 1 73 ? -9.369 6.274 38.602 1.00 11.11 ? 73 LEU B HD21 1 ATOM 4581 H HD22 . LEU B 1 73 ? -8.065 5.545 38.112 1.00 11.11 ? 73 LEU B HD22 1 ATOM 4582 H HD23 . LEU B 1 73 ? -7.969 6.697 39.178 1.00 11.11 ? 73 LEU B HD23 1 ATOM 4583 N N . TYR B 1 74 ? -8.139 10.621 36.119 1.00 6.57 ? 74 TYR B N 1 ATOM 4584 C CA . TYR B 1 74 ? -8.959 11.643 36.784 1.00 6.62 ? 74 TYR B CA 1 ATOM 4585 C C . TYR B 1 74 ? -10.231 11.006 37.295 1.00 5.81 ? 74 TYR B C 1 ATOM 4586 O O . TYR B 1 74 ? -10.873 10.251 36.585 1.00 7.20 ? 74 TYR B O 1 ATOM 4587 C CB . TYR B 1 74 ? -9.369 12.773 35.825 1.00 8.32 ? 74 TYR B CB 1 ATOM 4588 C CG . TYR B 1 74 ? -8.259 13.688 35.348 1.00 9.23 ? 74 TYR B CG 1 ATOM 4589 C CD1 . TYR B 1 74 ? -7.266 13.239 34.482 1.00 9.38 ? 74 TYR B CD1 1 ATOM 4590 C CD2 . TYR B 1 74 ? -8.248 15.017 35.728 1.00 9.68 ? 74 TYR B CD2 1 ATOM 4591 C CE1 . TYR B 1 74 ? -6.274 14.104 34.043 1.00 9.42 ? 74 TYR B CE1 1 ATOM 4592 C CE2 . TYR B 1 74 ? -7.296 15.890 35.277 1.00 11.37 ? 74 TYR B CE2 1 ATOM 4593 C CZ . TYR B 1 74 ? -6.301 15.429 34.452 1.00 10.37 ? 74 TYR B CZ 1 ATOM 4594 O OH . TYR B 1 74 ? -5.330 16.290 33.986 1.00 13.25 ? 74 TYR B OH 1 ATOM 4595 H H . TYR B 1 74 ? -8.406 10.415 35.328 1.00 7.87 ? 74 TYR B H 1 ATOM 4596 H HA . TYR B 1 74 ? -8.469 12.027 37.540 1.00 7.94 ? 74 TYR B HA 1 ATOM 4597 H HB2 . TYR B 1 74 ? -9.770 12.373 35.038 1.00 9.97 ? 74 TYR B HB2 1 ATOM 4598 H HB3 . TYR B 1 74 ? -10.026 13.328 36.273 1.00 9.97 ? 74 TYR B HB3 1 ATOM 4599 H HD1 . TYR B 1 74 ? -7.253 12.348 34.215 1.00 11.25 ? 74 TYR B HD1 1 ATOM 4600 H HD2 . TYR B 1 74 ? -8.923 15.332 36.285 1.00 11.61 ? 74 TYR B HD2 1 ATOM 4601 H HE1 . TYR B 1 74 ? -5.608 13.803 33.469 1.00 11.29 ? 74 TYR B HE1 1 ATOM 4602 H HE2 . TYR B 1 74 ? -7.303 16.778 35.554 1.00 13.63 ? 74 TYR B HE2 1 ATOM 4603 H HH . TYR B 1 74 ? -4.905 16.599 34.615 1.00 15.88 ? 74 TYR B HH 1 ATOM 4604 N N . ILE B 1 75 ? -10.577 11.338 38.550 1.00 7.52 ? 75 ILE B N 1 ATOM 4605 C CA . ILE B 1 75 ? -11.875 11.038 39.131 1.00 7.56 ? 75 ILE B CA 1 ATOM 4606 C C . ILE B 1 75 ? -12.453 12.372 39.627 1.00 8.92 ? 75 ILE B C 1 ATOM 4607 O O . ILE B 1 75 ? -11.856 13.019 40.488 1.00 8.70 ? 75 ILE B O 1 ATOM 4608 C CB . ILE B 1 75 ? -11.759 10.058 40.328 1.00 7.49 ? 75 ILE B CB 1 ATOM 4609 C CG1 . ILE B 1 75 ? -11.179 8.696 39.912 1.00 8.04 ? 75 ILE B CG1 1 ATOM 4610 C CG2 . ILE B 1 75 ? -13.111 9.914 41.026 1.00 9.63 ? 75 ILE B CG2 1 ATOM 4611 C CD1 . ILE B 1 75 ? -12.025 7.898 38.991 1.00 9.74 ? 75 ILE B CD1 1 ATOM 4612 H H . ILE B 1 75 ? -10.052 11.750 39.092 1.00 9.02 ? 75 ILE B H 1 ATOM 4613 H HA . ILE B 1 75 ? -12.472 10.656 38.454 1.00 9.06 ? 75 ILE B HA 1 ATOM 4614 H HB . ILE B 1 75 ? -11.143 10.452 40.966 1.00 8.98 ? 75 ILE B HB 1 ATOM 4615 H HG12 . ILE B 1 75 ? -10.329 8.847 39.470 1.00 9.64 ? 75 ILE B HG12 1 ATOM 4616 H HG13 . ILE B 1 75 ? -11.039 8.166 40.712 1.00 9.64 ? 75 ILE B HG13 1 ATOM 4617 H HG21 . ILE B 1 75 ? -13.018 9.305 41.763 1.00 11.55 ? 75 ILE B HG21 1 ATOM 4618 H HG22 . ILE B 1 75 ? -13.390 10.775 41.346 1.00 11.55 ? 75 ILE B HG22 1 ATOM 4619 H HG23 . ILE B 1 75 ? -13.752 9.574 40.398 1.00 11.55 ? 75 ILE B HG23 1 ATOM 4620 H HD11 . ILE B 1 75 ? -11.578 7.072 38.794 1.00 11.67 ? 75 ILE B HD11 1 ATOM 4621 H HD12 . ILE B 1 75 ? -12.868 7.721 39.416 1.00 11.67 ? 75 ILE B HD12 1 ATOM 4622 H HD13 . ILE B 1 75 ? -12.164 8.397 38.183 1.00 11.67 ? 75 ILE B HD13 1 ATOM 4623 N N . GLY B 1 76 ? -13.592 12.792 39.085 1.00 7.33 ? 76 GLY B N 1 ATOM 4624 C CA . GLY B 1 76 ? -14.190 14.022 39.584 1.00 8.80 ? 76 GLY B CA 1 ATOM 4625 C C . GLY B 1 76 ? -13.243 15.202 39.602 1.00 8.04 ? 76 GLY B C 1 ATOM 4626 O O . GLY B 1 76 ? -13.167 15.936 40.581 1.00 9.54 ? 76 GLY B O 1 ATOM 4627 H H . GLY B 1 76 ? -14.023 12.401 38.452 1.00 8.78 ? 76 GLY B H 1 ATOM 4628 H HA2 . GLY B 1 76 ? -14.950 14.253 39.028 1.00 10.55 ? 76 GLY B HA2 1 ATOM 4629 H HA3 . GLY B 1 76 ? -14.508 13.876 40.488 1.00 10.55 ? 76 GLY B HA3 1 ATOM 4630 N N . ARG B 1 77 ? -12.525 15.409 38.499 1.00 7.83 ? 77 ARG B N 1 ATOM 4631 C CA . ARG B 1 77 ? -11.611 16.522 38.299 1.00 7.78 ? 77 ARG B CA 1 ATOM 4632 C C . ARG B 1 77 ? -10.292 16.444 39.055 1.00 14.19 ? 77 ARG B C 1 ATOM 4633 O O . ARG B 1 77 ? -9.362 17.185 38.719 1.00 20.79 ? 77 ARG B O 1 ATOM 4634 C CB . ARG B 1 77 ? -12.338 17.865 38.502 1.00 9.50 ? 77 ARG B CB 1 ATOM 4635 C CG . ARG B 1 77 ? -13.338 18.066 37.386 1.00 10.85 ? 77 ARG B CG 1 ATOM 4636 C CD . ARG B 1 77 ? -14.600 18.812 37.816 1.00 9.30 ? 77 ARG B CD 1 ATOM 4637 N NE . ARG B 1 77 ? -15.331 18.095 38.863 1.00 9.54 ? 77 ARG B NE 1 ATOM 4638 C CZ . ARG B 1 77 ? -16.022 16.974 38.695 1.00 7.73 ? 77 ARG B CZ 1 ATOM 4639 N NH1 . ARG B 1 77 ? -16.098 16.410 37.503 1.00 9.86 ? 77 ARG B NH1 1 ATOM 4640 N NH2 . ARG B 1 77 ? -16.646 16.381 39.712 1.00 9.48 ? 77 ARG B NH2 1 ATOM 4641 H H . ARG B 1 77 ? -12.556 14.885 37.819 1.00 9.39 ? 77 ARG B H 1 ATOM 4642 H HA . ARG B 1 77 ? -11.363 16.504 37.351 1.00 9.32 ? 77 ARG B HA 1 ATOM 4643 H HB2 . ARG B 1 77 ? -12.814 17.855 39.348 1.00 11.38 ? 77 ARG B HB2 1 ATOM 4644 H HB3 . ARG B 1 77 ? -11.696 18.592 38.479 1.00 11.38 ? 77 ARG B HB3 1 ATOM 4645 H HG2 . ARG B 1 77 ? -12.917 18.579 36.678 1.00 13.00 ? 77 ARG B HG2 1 ATOM 4646 H HG3 . ARG B 1 77 ? -13.607 17.198 37.047 1.00 13.00 ? 77 ARG B HG3 1 ATOM 4647 H HD2 . ARG B 1 77 ? -14.353 19.684 38.163 1.00 11.15 ? 77 ARG B HD2 1 ATOM 4648 H HD3 . ARG B 1 77 ? -15.188 18.911 37.051 1.00 11.15 ? 77 ARG B HD3 1 ATOM 4649 H HE . ARG B 1 77 ? -15.308 18.472 39.756 1.00 11.43 ? 77 ARG B HE 1 ATOM 4650 H HH11 . ARG B 1 77 ? -15.700 16.770 36.831 1.00 11.82 ? 77 ARG B HH11 1 ATOM 4651 H HH12 . ARG B 1 77 ? -16.547 15.684 37.399 1.00 11.82 ? 77 ARG B HH12 1 ATOM 4652 H HH21 . ARG B 1 77 ? -16.614 16.729 40.498 1.00 11.36 ? 77 ARG B HH21 1 ATOM 4653 H HH22 . ARG B 1 77 ? -17.092 15.658 39.580 1.00 11.36 ? 77 ARG B HH22 1 ATOM 4654 N N . HIS B 1 78 ? -10.148 15.489 39.964 1.00 8.66 ? 78 HIS B N 1 ATOM 4655 C CA . HIS B 1 78 ? -8.872 15.308 40.661 1.00 7.60 ? 78 HIS B CA 1 ATOM 4656 C C . HIS B 1 78 ? -8.093 14.243 39.898 1.00 9.13 ? 78 HIS B C 1 ATOM 4657 O O . HIS B 1 78 ? -8.708 13.419 39.235 1.00 9.36 ? 78 HIS B O 1 ATOM 4658 C CB . HIS B 1 78 ? -9.103 14.794 42.087 1.00 8.45 ? 78 HIS B CB 1 ATOM 4659 C CG . HIS B 1 78 ? -9.879 15.729 42.966 1.00 9.58 ? 78 HIS B CG 1 ATOM 4660 N ND1 . HIS B 1 78 ? -9.905 15.577 44.330 1.00 14.90 ? 78 HIS B ND1 1 ATOM 4661 C CD2 . HIS B 1 78 ? -10.713 16.761 42.675 1.00 11.11 ? 78 HIS B CD2 1 ATOM 4662 C CE1 . HIS B 1 78 ? -10.692 16.513 44.857 1.00 12.60 ? 78 HIS B CE1 1 ATOM 4663 N NE2 . HIS B 1 78 ? -11.175 17.257 43.879 1.00 15.18 ? 78 HIS B NE2 1 ATOM 4664 H H . HIS B 1 78 ? -10.763 14.935 40.197 1.00 10.38 ? 78 HIS B H 1 ATOM 4665 H HA . HIS B 1 78 ? -8.362 16.145 40.684 1.00 9.11 ? 78 HIS B HA 1 ATOM 4666 H HB2 . HIS B 1 78 ? -9.593 13.958 42.040 1.00 10.12 ? 78 HIS B HB2 1 ATOM 4667 H HB3 . HIS B 1 78 ? -8.241 14.643 42.505 1.00 10.12 ? 78 HIS B HB3 1 ATOM 4668 H HD1 . HIS B 1 78 ? -9.470 14.983 44.774 1.00 17.87 ? 78 HIS B HD1 1 ATOM 4669 H HD2 . HIS B 1 78 ? -10.894 17.103 41.829 1.00 13.32 ? 78 HIS B HD2 1 ATOM 4670 H HE1 . HIS B 1 78 ? -10.856 16.636 45.764 1.00 15.11 ? 78 HIS B HE1 1 ATOM 4671 N N . LYS B 1 79 ? -6.773 14.265 40.001 1.00 8.63 ? 79 LYS B N 1 ATOM 4672 C CA . LYS B 1 79 ? -5.989 13.282 39.246 1.00 8.31 ? 79 LYS B CA 1 ATOM 4673 C C . LYS B 1 79 ? -4.866 12.679 40.054 1.00 9.92 ? 79 LYS B C 1 ATOM 4674 O O . LYS B 1 79 ? -4.350 13.248 41.044 1.00 11.44 ? 79 LYS B O 1 ATOM 4675 C CB . LYS B 1 79 ? -5.429 13.916 37.985 1.00 15.79 ? 79 LYS B CB 1 ATOM 4676 C CG . LYS B 1 79 ? -4.305 14.822 38.260 1.00 13.69 ? 79 LYS B CG 1 ATOM 4677 C CD . LYS B 1 79 ? -3.863 15.618 37.003 1.00 16.01 ? 79 LYS B CD 1 ATOM 4678 C CE . LYS B 1 79 ? -3.143 14.742 35.996 1.00 16.05 ? 79 LYS B CE 1 ATOM 4679 N NZ . LYS B 1 79 ? -2.612 15.540 34.811 1.00 19.35 ? 79 LYS B NZ 1 ATOM 4680 H H . LYS B 1 79 ? -6.316 14.814 40.481 1.00 10.35 ? 79 LYS B H 1 ATOM 4681 H HA . LYS B 1 79 ? -6.582 12.551 38.973 1.00 9.97 ? 79 LYS B HA 1 ATOM 4682 H HB2 . LYS B 1 79 ? -5.114 13.216 37.393 1.00 18.94 ? 79 LYS B HB2 1 ATOM 4683 H HB3 . LYS B 1 79 ? -6.129 14.428 37.552 1.00 18.94 ? 79 LYS B HB3 1 ATOM 4684 H HG2 . LYS B 1 79 ? -4.571 15.459 38.941 1.00 16.42 ? 79 LYS B HG2 1 ATOM 4685 H HG3 . LYS B 1 79 ? -3.547 14.302 38.569 1.00 16.42 ? 79 LYS B HG3 1 ATOM 4686 H HD2 . LYS B 1 79 ? -4.647 15.992 36.571 1.00 19.19 ? 79 LYS B HD2 1 ATOM 4687 H HD3 . LYS B 1 79 ? -3.259 16.327 37.272 1.00 19.19 ? 79 LYS B HD3 1 ATOM 4688 H HE2 . LYS B 1 79 ? -2.391 14.311 36.431 1.00 19.25 ? 79 LYS B HE2 1 ATOM 4689 H HE3 . LYS B 1 79 ? -3.760 14.074 35.658 1.00 19.25 ? 79 LYS B HE3 1 ATOM 4690 H HZ1 . LYS B 1 79 ? -2.164 14.955 34.196 1.00 23.21 ? 79 LYS B HZ1 1 ATOM 4691 H HZ2 . LYS B 1 79 ? -3.338 15.974 34.356 1.00 23.21 ? 79 LYS B HZ2 1 ATOM 4692 H HZ3 . LYS B 1 79 ? -1.992 16.206 35.116 1.00 23.21 ? 79 LYS B HZ3 1 ATOM 4693 N N . VAL B 1 80 ? -4.517 11.483 39.591 1.00 8.55 ? 80 VAL B N 1 ATOM 4694 C CA . VAL B 1 80 ? -3.290 10.824 39.997 1.00 7.49 ? 80 VAL B CA 1 ATOM 4695 C C . VAL B 1 80 ? -2.540 10.395 38.745 1.00 6.85 ? 80 VAL B C 1 ATOM 4696 O O . VAL B 1 80 ? -3.136 10.206 37.681 1.00 7.69 ? 80 VAL B O 1 ATOM 4697 C CB . VAL B 1 80 ? -3.574 9.585 40.876 1.00 8.18 ? 80 VAL B CB 1 ATOM 4698 C CG1 . VAL B 1 80 ? -4.136 10.038 42.245 1.00 10.33 ? 80 VAL B CG1 1 ATOM 4699 C CG2 . VAL B 1 80 ? -4.471 8.595 40.184 1.00 8.51 ? 80 VAL B CG2 1 ATOM 4700 H H . VAL B 1 80 ? -4.985 11.028 39.031 1.00 10.24 ? 80 VAL B H 1 ATOM 4701 H HA . VAL B 1 80 ? -2.729 11.448 40.502 1.00 8.97 ? 80 VAL B HA 1 ATOM 4702 H HB . VAL B 1 80 ? -2.722 9.131 41.048 1.00 9.80 ? 80 VAL B HB 1 ATOM 4703 H HG11 . VAL B 1 80 ? -4.309 9.263 42.783 1.00 12.39 ? 80 VAL B HG11 1 ATOM 4704 H HG12 . VAL B 1 80 ? -3.489 10.600 42.678 1.00 12.39 ? 80 VAL B HG12 1 ATOM 4705 H HG13 . VAL B 1 80 ? -4.951 10.526 42.102 1.00 12.39 ? 80 VAL B HG13 1 ATOM 4706 H HG21 . VAL B 1 80 ? -4.618 7.847 40.767 1.00 10.20 ? 80 VAL B HG21 1 ATOM 4707 H HG22 . VAL B 1 80 ? -5.307 9.021 39.981 1.00 10.20 ? 80 VAL B HG22 1 ATOM 4708 H HG23 . VAL B 1 80 ? -4.047 8.302 39.374 1.00 10.20 ? 80 VAL B HG23 1 ATOM 4709 N N . THR B 1 81 ? -1.219 10.180 38.898 1.00 8.14 ? 81 THR B N 1 ATOM 4710 C CA . THR B 1 81 ? -0.365 9.783 37.778 1.00 8.22 ? 81 THR B CA 1 ATOM 4711 C C . THR B 1 81 ? 0.632 8.743 38.298 1.00 8.38 ? 81 THR B C 1 ATOM 4712 O O . THR B 1 81 ? 1.193 8.936 39.371 1.00 10.58 ? 81 THR B O 1 ATOM 4713 C CB . THR B 1 81 ? 0.429 10.971 37.232 1.00 9.24 ? 81 THR B CB 1 ATOM 4714 O OG1 . THR B 1 81 ? -0.495 12.020 36.841 1.00 10.64 ? 81 THR B OG1 1 ATOM 4715 C CG2 . THR B 1 81 ? 1.282 10.561 36.052 1.00 10.41 ? 81 THR B CG2 1 ATOM 4716 H H . THR B 1 81 ? -0.800 10.259 39.645 1.00 9.75 ? 81 THR B H 1 ATOM 4717 H HA . THR B 1 81 ? -0.903 9.390 37.059 1.00 9.85 ? 81 THR B HA 1 ATOM 4718 H HB . THR B 1 81 ? 1.017 11.308 37.926 1.00 11.08 ? 81 THR B HB 1 ATOM 4719 H HG1 . THR B 1 81 ? -1.004 11.742 36.261 1.00 12.75 ? 81 THR B HG1 1 ATOM 4720 H HG21 . THR B 1 81 ? 1.772 11.317 35.723 1.00 12.49 ? 81 THR B HG21 1 ATOM 4721 H HG22 . THR B 1 81 ? 1.902 9.878 36.317 1.00 12.49 ? 81 THR B HG22 1 ATOM 4722 H HG23 . THR B 1 81 ? 0.725 10.219 35.348 1.00 12.49 ? 81 THR B HG23 1 ATOM 4723 N N . SER B 1 82 ? 0.827 7.662 37.550 1.00 8.21 ? 82 SER B N 1 ATOM 4724 C CA . SER B 1 82 ? 1.867 6.674 37.855 1.00 8.50 ? 82 SER B CA 1 ATOM 4725 C C . SER B 1 82 ? 2.700 6.380 36.629 1.00 8.26 ? 82 SER B C 1 ATOM 4726 O O . SER B 1 82 ? 2.276 6.504 35.468 1.00 9.87 ? 82 SER B O 1 ATOM 4727 C CB . SER B 1 82 ? 1.318 5.401 38.470 1.00 12.88 ? 82 SER B CB 1 ATOM 4728 O OG . SER B 1 82 ? 0.924 5.674 39.837 1.00 14.32 ? 82 SER B OG 1 ATOM 4729 H H . SER B 1 82 ? 0.365 7.472 36.850 1.00 9.84 ? 82 SER B H 1 ATOM 4730 H HA . SER B 1 82 ? 2.470 7.070 38.518 1.00 10.18 ? 82 SER B HA 1 ATOM 4731 H HB2 . SER B 1 82 ? 0.545 5.106 37.965 1.00 15.44 ? 82 SER B HB2 1 ATOM 4732 H HB3 . SER B 1 82 ? 2.006 4.717 38.465 1.00 15.44 ? 82 SER B HB3 1 ATOM 4733 H HG . SER B 1 82 ? 0.624 4.994 40.184 1.00 17.17 ? 82 SER B HG 1 ATOM 4734 N N . LYS B 1 83 ? 3.936 5.983 36.904 1.00 8.42 ? 83 LYS B N 1 ATOM 4735 C CA . LYS B 1 83 ? 4.939 5.805 35.876 1.00 7.96 ? 83 LYS B CA 1 ATOM 4736 C C . LYS B 1 83 ? 5.277 4.330 35.640 1.00 8.25 ? 83 LYS B C 1 ATOM 4737 O O . LYS B 1 83 ? 5.125 3.482 36.520 1.00 8.82 ? 83 LYS B O 1 ATOM 4738 C CB . LYS B 1 83 ? 6.204 6.545 36.271 1.00 8.32 ? 83 LYS B CB 1 ATOM 4739 C CG . LYS B 1 83 ? 6.052 8.047 36.464 1.00 13.55 ? 83 LYS B CG 1 ATOM 4740 C CD . LYS B 1 83 ? 7.407 8.713 36.865 1.00 16.93 ? 83 LYS B CD 1 ATOM 4741 C CE . LYS B 1 83 ? 7.218 9.940 37.793 1.00 34.32 ? 83 LYS B CE 1 ATOM 4742 N NZ . LYS B 1 83 ? 8.480 10.437 38.494 1.00 37.26 ? 83 LYS B NZ 1 ATOM 4743 H H . LYS B 1 83 ? 4.219 5.808 37.697 1.00 10.10 ? 83 LYS B H 1 ATOM 4744 H HA . LYS B 1 83 ? 4.611 6.184 35.034 1.00 9.54 ? 83 LYS B HA 1 ATOM 4745 H HB2 . LYS B 1 83 ? 6.526 6.176 37.109 1.00 9.97 ? 83 LYS B HB2 1 ATOM 4746 H HB3 . LYS B 1 83 ? 6.870 6.407 35.580 1.00 9.97 ? 83 LYS B HB3 1 ATOM 4747 H HG2 . LYS B 1 83 ? 5.750 8.447 35.634 1.00 16.25 ? 83 LYS B HG2 1 ATOM 4748 H HG3 . LYS B 1 83 ? 5.410 8.215 37.171 1.00 16.25 ? 83 LYS B HG3 1 ATOM 4749 H HD2 . LYS B 1 83 ? 7.953 8.063 37.333 1.00 20.30 ? 83 LYS B HD2 1 ATOM 4750 H HD3 . LYS B 1 83 ? 7.862 9.012 36.062 1.00 20.30 ? 83 LYS B HD3 1 ATOM 4751 H HE2 . LYS B 1 83 ? 6.871 10.675 37.264 1.00 41.18 ? 83 LYS B HE2 1 ATOM 4752 H HE3 . LYS B 1 83 ? 6.576 9.707 38.482 1.00 41.18 ? 83 LYS B HE3 1 ATOM 4753 H HZ1 . LYS B 1 83 ? 8.845 9.740 39.044 1.00 44.70 ? 83 LYS B HZ1 1 ATOM 4754 H HZ2 . LYS B 1 83 ? 9.136 10.695 37.842 1.00 44.70 ? 83 LYS B HZ2 1 ATOM 4755 H HZ3 . LYS B 1 83 ? 8.273 11.194 39.045 1.00 44.70 ? 83 LYS B HZ3 1 ATOM 4756 N N . VAL B 1 84 ? 5.773 4.034 34.446 1.00 7.88 ? 84 VAL B N 1 ATOM 4757 C CA . VAL B 1 84 ? 6.142 2.670 34.067 1.00 8.44 ? 84 VAL B CA 1 ATOM 4758 C C . VAL B 1 84 ? 7.220 2.723 33.004 1.00 7.72 ? 84 VAL B C 1 ATOM 4759 O O . VAL B 1 84 ? 7.297 3.648 32.200 1.00 9.81 ? 84 VAL B O 1 ATOM 4760 C CB . VAL B 1 84 ? 4.940 1.886 33.547 1.00 8.83 ? 84 VAL B CB 1 ATOM 4761 C CG1 . VAL B 1 84 ? 4.455 2.445 32.171 1.00 13.06 ? 84 VAL B CG1 1 ATOM 4762 C CG2 . VAL B 1 84 ? 5.222 0.415 33.418 1.00 11.58 ? 84 VAL B CG2 1 ATOM 4763 H H . VAL B 1 84 ? 5.908 4.614 33.825 1.00 9.45 ? 84 VAL B H 1 ATOM 4764 H HA . VAL B 1 84 ? 6.502 2.201 34.849 1.00 10.11 ? 84 VAL B HA 1 ATOM 4765 H HB . VAL B 1 84 ? 4.202 1.990 34.184 1.00 10.58 ? 84 VAL B HB 1 ATOM 4766 H HG11 . VAL B 1 84 ? 3.701 1.932 31.874 1.00 15.66 ? 84 VAL B HG11 1 ATOM 4767 H HG12 . VAL B 1 84 ? 4.203 3.365 32.279 1.00 15.66 ? 84 VAL B HG12 1 ATOM 4768 H HG13 . VAL B 1 84 ? 5.171 2.374 31.536 1.00 15.66 ? 84 VAL B HG13 1 ATOM 4769 H HG21 . VAL B 1 84 ? 4.435 -0.026 33.088 1.00 13.89 ? 84 VAL B HG21 1 ATOM 4770 H HG22 . VAL B 1 84 ? 5.949 0.289 32.804 1.00 13.89 ? 84 VAL B HG22 1 ATOM 4771 H HG23 . VAL B 1 84 ? 5.457 0.065 34.280 1.00 13.89 ? 84 VAL B HG23 1 ATOM 4772 N N . ILE B 1 85 ? 8.076 1.697 33.018 1.00 9.07 ? 85 ILE B N 1 ATOM 4773 C CA . ILE B 1 85 ? 9.008 1.464 31.945 1.00 9.99 ? 85 ILE B CA 1 ATOM 4774 C C . ILE B 1 85 ? 8.274 0.804 30.761 1.00 8.22 ? 85 ILE B C 1 ATOM 4775 O O . ILE B 1 85 ? 7.734 -0.289 30.884 1.00 11.83 ? 85 ILE B O 1 ATOM 4776 C CB . ILE B 1 85 ? 10.149 0.536 32.404 1.00 10.76 ? 85 ILE B CB 1 ATOM 4777 C CG1 . ILE B 1 85 ? 10.949 1.233 33.502 1.00 12.72 ? 85 ILE B CG1 1 ATOM 4778 C CG2 . ILE B 1 85 ? 11.030 0.201 31.203 1.00 13.11 ? 85 ILE B CG2 1 ATOM 4779 C CD1 . ILE B 1 85 ? 11.865 0.263 34.256 1.00 15.84 ? 85 ILE B CD1 1 ATOM 4780 H H . ILE B 1 85 ? 8.126 1.119 33.653 1.00 10.88 ? 85 ILE B H 1 ATOM 4781 H HA . ILE B 1 85 ? 9.391 2.315 31.647 1.00 11.97 ? 85 ILE B HA 1 ATOM 4782 H HB . ILE B 1 85 ? 9.769 -0.283 32.759 1.00 12.90 ? 85 ILE B HB 1 ATOM 4783 H HG12 . ILE B 1 85 ? 11.502 1.922 33.103 1.00 15.26 ? 85 ILE B HG12 1 ATOM 4784 H HG13 . ILE B 1 85 ? 10.335 1.626 34.141 1.00 15.26 ? 85 ILE B HG13 1 ATOM 4785 H HG21 . ILE B 1 85 ? 11.741 -0.378 31.489 1.00 15.73 ? 85 ILE B HG21 1 ATOM 4786 H HG22 . ILE B 1 85 ? 10.496 -0.241 30.538 1.00 15.73 ? 85 ILE B HG22 1 ATOM 4787 H HG23 . ILE B 1 85 ? 11.393 1.014 30.845 1.00 15.73 ? 85 ILE B HG23 1 ATOM 4788 H HD11 . ILE B 1 85 ? 12.343 0.748 34.932 1.00 19.00 ? 85 ILE B HD11 1 ATOM 4789 H HD12 . ILE B 1 85 ? 11.328 -0.422 34.661 1.00 19.00 ? 85 ILE B HD12 1 ATOM 4790 H HD13 . ILE B 1 85 ? 12.482 -0.130 33.635 1.00 19.00 ? 85 ILE B HD13 1 ATOM 4791 N N . GLU B 1 86 ? 8.321 1.486 29.610 1.00 12.26 ? 86 GLU B N 1 ATOM 4792 C CA A GLU B 1 86 ? 7.735 0.940 28.377 0.60 10.92 ? 86 GLU B CA 1 ATOM 4793 C CA B GLU B 1 86 ? 7.736 0.957 28.375 0.40 11.01 ? 86 GLU B CA 1 ATOM 4794 C C . GLU B 1 86 ? 8.591 1.307 27.175 1.00 12.59 ? 86 GLU B C 1 ATOM 4795 O O . GLU B 1 86 ? 9.278 2.318 27.182 1.00 16.19 ? 86 GLU B O 1 ATOM 4796 C CB A GLU B 1 86 ? 6.258 1.400 28.152 0.60 15.77 ? 86 GLU B CB 1 ATOM 4797 C CB B GLU B 1 86 ? 6.332 1.527 28.132 0.40 14.55 ? 86 GLU B CB 1 ATOM 4798 C CG A GLU B 1 86 ? 6.051 2.928 28.045 0.60 16.85 ? 86 GLU B CG 1 ATOM 4799 C CG B GLU B 1 86 ? 5.184 0.695 28.671 0.40 10.06 ? 86 GLU B CG 1 ATOM 4800 C CD A GLU B 1 86 ? 4.577 3.378 27.969 0.60 18.19 ? 86 GLU B CD 1 ATOM 4801 C CD B GLU B 1 86 ? 3.841 1.236 28.182 0.40 7.82 ? 86 GLU B CD 1 ATOM 4802 O OE1 A GLU B 1 86 ? 3.714 2.584 28.423 0.60 11.97 ? 86 GLU B OE1 1 ATOM 4803 O OE1 B GLU B 1 86 ? 3.382 2.245 28.728 0.40 9.24 ? 86 GLU B OE1 1 ATOM 4804 O OE2 A GLU B 1 86 ? 4.303 4.509 27.440 0.60 6.27 ? 86 GLU B OE2 1 ATOM 4805 O OE2 B GLU B 1 86 ? 3.270 0.652 27.253 0.40 9.73 ? 86 GLU B OE2 1 ATOM 4806 H H A GLU B 1 86 ? 8.683 2.260 29.516 0.60 14.70 ? 86 GLU B H 1 ATOM 4807 H H B GLU B 1 86 ? 8.687 2.259 29.519 0.40 14.70 ? 86 GLU B H 1 ATOM 4808 H HA A GLU B 1 86 ? 7.729 -0.037 28.445 0.60 13.09 ? 86 GLU B HA 1 ATOM 4809 H HA B GLU B 1 86 ? 7.670 -0.019 28.437 0.40 13.19 ? 86 GLU B HA 1 ATOM 4810 H HB2 A GLU B 1 86 ? 5.934 1.003 27.328 0.60 18.91 ? 86 GLU B HB2 1 ATOM 4811 H HB2 B GLU B 1 86 ? 6.279 2.400 28.551 0.40 17.45 ? 86 GLU B HB2 1 ATOM 4812 H HB3 A GLU B 1 86 ? 5.721 1.084 28.896 0.60 18.91 ? 86 GLU B HB3 1 ATOM 4813 H HB3 B GLU B 1 86 ? 6.200 1.619 27.175 0.40 17.45 ? 86 GLU B HB3 1 ATOM 4814 H HG2 A GLU B 1 86 ? 6.446 3.349 28.824 0.60 20.20 ? 86 GLU B HG2 1 ATOM 4815 H HG2 B GLU B 1 86 ? 5.276 -0.220 28.362 0.40 12.06 ? 86 GLU B HG2 1 ATOM 4816 H HG3 A GLU B 1 86 ? 6.496 3.244 27.243 0.60 20.20 ? 86 GLU B HG3 1 ATOM 4817 H HG3 B GLU B 1 86 ? 5.191 0.726 29.640 0.40 12.06 ? 86 GLU B HG3 1 ATOM 4818 N N . LYS B 1 87 ? 8.519 0.460 26.147 1.00 11.86 ? 87 LYS B N 1 ATOM 4819 C CA . LYS B 1 87 ? 9.142 0.735 24.861 1.00 14.34 ? 87 LYS B CA 1 ATOM 4820 C C . LYS B 1 87 ? 8.246 1.703 24.100 1.00 13.26 ? 87 LYS B C 1 ATOM 4821 O O . LYS B 1 87 ? 7.054 1.823 24.405 1.00 15.20 ? 87 LYS B O 1 ATOM 4822 C CB . LYS B 1 87 ? 9.292 -0.573 24.084 1.00 14.46 ? 87 LYS B CB 1 ATOM 4823 C CG . LYS B 1 87 ? 10.216 -1.582 24.744 1.00 21.39 ? 87 LYS B CG 1 ATOM 4824 C CD . LYS B 1 87 ? 10.447 -2.786 23.850 1.00 28.04 ? 87 LYS B CD 1 ATOM 4825 C CE . LYS B 1 87 ? 11.290 -3.826 24.595 1.00 44.60 ? 87 LYS B CE 1 ATOM 4826 N NZ . LYS B 1 87 ? 12.545 -3.214 25.136 1.00 52.29 ? 87 LYS B NZ 1 ATOM 4827 H H . LYS B 1 87 ? 8.106 -0.294 26.175 1.00 14.22 ? 87 LYS B H 1 ATOM 4828 H HA . LYS B 1 87 ? 10.024 1.140 24.989 1.00 17.19 ? 87 LYS B HA 1 ATOM 4829 H HB2 . LYS B 1 87 ? 8.419 -0.986 23.997 1.00 17.34 ? 87 LYS B HB2 1 ATOM 4830 H HB3 . LYS B 1 87 ? 9.651 -0.374 23.205 1.00 17.34 ? 87 LYS B HB3 1 ATOM 4831 H HG2 . LYS B 1 87 ? 11.074 -1.164 24.919 1.00 25.66 ? 87 LYS B HG2 1 ATOM 4832 H HG3 . LYS B 1 87 ? 9.816 -1.889 25.572 1.00 25.66 ? 87 LYS B HG3 1 ATOM 4833 H HD2 . LYS B 1 87 ? 9.595 -3.186 23.617 1.00 33.64 ? 87 LYS B HD2 1 ATOM 4834 H HD3 . LYS B 1 87 ? 10.926 -2.512 23.052 1.00 33.64 ? 87 LYS B HD3 1 ATOM 4835 H HE2 . LYS B 1 87 ? 10.779 -4.182 25.338 1.00 53.50 ? 87 LYS B HE2 1 ATOM 4836 H HE3 . LYS B 1 87 ? 11.536 -4.538 23.984 1.00 53.50 ? 87 LYS B HE3 1 ATOM 4837 H HZ1 . LYS B 1 87 ? 13.071 -2.855 24.417 1.00 62.74 ? 87 LYS B HZ1 1 ATOM 4838 H HZ2 . LYS B 1 87 ? 12.328 -2.506 25.747 1.00 62.74 ? 87 LYS B HZ2 1 ATOM 4839 H HZ3 . LYS B 1 87 ? 13.061 -3.878 25.599 1.00 62.74 ? 87 LYS B HZ3 1 ATOM 4840 N N . PHE B 1 88 ? 8.846 2.422 23.157 1.00 11.69 ? 88 PHE B N 1 ATOM 4841 C CA . PHE B 1 88 ? 8.093 3.348 22.331 1.00 9.61 ? 88 PHE B CA 1 ATOM 4842 C C . PHE B 1 88 ? 8.550 3.275 20.893 1.00 9.23 ? 88 PHE B C 1 ATOM 4843 O O . PHE B 1 88 ? 9.726 3.491 20.622 1.00 11.33 ? 88 PHE B O 1 ATOM 4844 C CB . PHE B 1 88 ? 8.239 4.785 22.811 1.00 11.81 ? 88 PHE B CB 1 ATOM 4845 C CG . PHE B 1 88 ? 7.585 5.754 21.888 1.00 12.49 ? 88 PHE B CG 1 ATOM 4846 C CD1 . PHE B 1 88 ? 6.209 5.877 21.872 1.00 14.18 ? 88 PHE B CD1 1 ATOM 4847 C CD2 . PHE B 1 88 ? 8.327 6.430 20.965 1.00 13.37 ? 88 PHE B CD2 1 ATOM 4848 C CE1 . PHE B 1 88 ? 5.588 6.713 20.951 1.00 12.08 ? 88 PHE B CE1 1 ATOM 4849 C CE2 . PHE B 1 88 ? 7.714 7.296 20.053 1.00 13.12 ? 88 PHE B CE2 1 ATOM 4850 C CZ . PHE B 1 88 ? 6.326 7.420 20.055 1.00 12.04 ? 88 PHE B CZ 1 ATOM 4851 H H . PHE B 1 88 ? 9.687 2.391 22.978 1.00 14.02 ? 88 PHE B H 1 ATOM 4852 H HA . PHE B 1 88 ? 7.143 3.109 22.364 1.00 11.52 ? 88 PHE B HA 1 ATOM 4853 H HB2 . PHE B 1 88 ? 7.825 4.873 23.684 1.00 14.16 ? 88 PHE B HB2 1 ATOM 4854 H HB3 . PHE B 1 88 ? 9.182 5.008 22.865 1.00 14.16 ? 88 PHE B HB3 1 ATOM 4855 H HD1 . PHE B 1 88 ? 5.695 5.388 22.473 1.00 17.01 ? 88 PHE B HD1 1 ATOM 4856 H HD2 . PHE B 1 88 ? 9.252 6.338 20.961 1.00 16.03 ? 88 PHE B HD2 1 ATOM 4857 H HE1 . PHE B 1 88 ? 4.663 6.812 20.967 1.00 14.49 ? 88 PHE B HE1 1 ATOM 4858 H HE2 . PHE B 1 88 ? 8.228 7.773 19.442 1.00 15.74 ? 88 PHE B HE2 1 ATOM 4859 H HZ . PHE B 1 88 ? 5.909 8.001 19.460 1.00 14.44 ? 88 PHE B HZ 1 ATOM 4860 N N . PRO B 1 89 ? 7.609 3.118 19.945 1.00 9.02 ? 89 PRO B N 1 ATOM 4861 C CA . PRO B 1 89 ? 6.198 2.787 20.142 1.00 9.69 ? 89 PRO B CA 1 ATOM 4862 C C . PRO B 1 89 ? 6.031 1.321 20.493 1.00 12.80 ? 89 PRO B C 1 ATOM 4863 O O . PRO B 1 89 ? 6.843 0.468 20.118 1.00 11.33 ? 89 PRO B O 1 ATOM 4864 C CB . PRO B 1 89 ? 5.573 3.004 18.759 1.00 9.59 ? 89 PRO B CB 1 ATOM 4865 C CG . PRO B 1 89 ? 6.573 3.612 17.915 1.00 13.89 ? 89 PRO B CG 1 ATOM 4866 C CD . PRO B 1 89 ? 7.925 3.381 18.529 1.00 9.90 ? 89 PRO B CD 1 ATOM 4867 H HA . PRO B 1 89 ? 5.775 3.363 20.813 1.00 11.62 ? 89 PRO B HA 1 ATOM 4868 H HB2 . PRO B 1 89 ? 5.302 2.148 18.393 1.00 11.50 ? 89 PRO B HB2 1 ATOM 4869 H HB3 . PRO B 1 89 ? 4.805 3.590 18.844 1.00 11.50 ? 89 PRO B HB3 1 ATOM 4870 H HG2 . PRO B 1 89 ? 6.533 3.207 17.035 1.00 16.65 ? 89 PRO B HG2 1 ATOM 4871 H HG3 . PRO B 1 89 ? 6.396 4.564 17.850 1.00 16.65 ? 89 PRO B HG3 1 ATOM 4872 H HD2 . PRO B 1 89 ? 8.352 2.607 18.127 1.00 11.87 ? 89 PRO B HD2 1 ATOM 4873 H HD3 . PRO B 1 89 ? 8.476 4.175 18.446 1.00 11.87 ? 89 PRO B HD3 1 ATOM 4874 N N . ALA B 1 90 ? 4.934 1.011 21.163 1.00 10.21 ? 90 ALA B N 1 ATOM 4875 C CA . ALA B 1 90 ? 4.595 -0.365 21.442 1.00 10.87 ? 90 ALA B CA 1 ATOM 4876 C C . ALA B 1 90 ? 3.133 -0.512 21.774 1.00 8.07 ? 90 ALA B C 1 ATOM 4877 O O . ALA B 1 90 ? 2.572 0.319 22.491 1.00 9.68 ? 90 ALA B O 1 ATOM 4878 C CB . ALA B 1 90 ? 5.402 -0.864 22.621 1.00 14.78 ? 90 ALA B CB 1 ATOM 4879 H H . ALA B 1 90 ? 4.368 1.583 21.467 1.00 12.24 ? 90 ALA B H 1 ATOM 4880 H HA . ALA B 1 90 ? 4.799 -0.922 20.662 1.00 13.03 ? 90 ALA B HA 1 ATOM 4881 H HB1 . ALA B 1 90 ? 5.167 -1.778 22.795 1.00 17.73 ? 90 ALA B HB1 1 ATOM 4882 H HB2 . ALA B 1 90 ? 6.336 -0.800 22.408 1.00 17.73 ? 90 ALA B HB2 1 ATOM 4883 H HB3 . ALA B 1 90 ? 5.202 -0.322 23.387 1.00 17.73 ? 90 ALA B HB3 1 ATOM 4884 N N . PRO B 1 91 ? 2.528 -1.621 21.358 1.00 7.73 ? 91 PRO B N 1 ATOM 4885 C CA . PRO B 1 91 ? 1.210 -1.979 21.862 1.00 8.70 ? 91 PRO B CA 1 ATOM 4886 C C . PRO B 1 91 ? 1.224 -2.086 23.360 1.00 10.29 ? 91 PRO B C 1 ATOM 4887 O O . PRO B 1 91 ? 2.252 -2.433 23.960 1.00 11.05 ? 91 PRO B O 1 ATOM 4888 C CB . PRO B 1 91 ? 0.954 -3.344 21.225 1.00 11.77 ? 91 PRO B CB 1 ATOM 4889 C CG . PRO B 1 91 ? 1.864 -3.407 20.032 1.00 12.36 ? 91 PRO B CG 1 ATOM 4890 C CD . PRO B 1 91 ? 3.056 -2.635 20.426 1.00 9.85 ? 91 PRO B CD 1 ATOM 4891 H HA . PRO B 1 91 ? 0.530 -1.336 21.572 1.00 10.43 ? 91 PRO B HA 1 ATOM 4892 H HB2 . PRO B 1 91 ? 1.171 -4.046 21.858 1.00 14.11 ? 91 PRO B HB2 1 ATOM 4893 H HB3 . PRO B 1 91 ? 0.026 -3.407 20.950 1.00 14.11 ? 91 PRO B HB3 1 ATOM 4894 H HG2 . PRO B 1 91 ? 2.099 -4.330 19.847 1.00 14.82 ? 91 PRO B HG2 1 ATOM 4895 H HG3 . PRO B 1 91 ? 1.429 -3.001 19.266 1.00 14.82 ? 91 PRO B HG3 1 ATOM 4896 H HD2 . PRO B 1 91 ? 3.694 -3.208 20.878 1.00 11.81 ? 91 PRO B HD2 1 ATOM 4897 H HD3 . PRO B 1 91 ? 3.451 -2.206 19.651 1.00 11.81 ? 91 PRO B HD3 1 ATOM 4898 N N . VAL B 1 92 ? 0.101 -1.760 23.977 1.00 8.23 ? 92 VAL B N 1 ATOM 4899 C CA . VAL B 1 92 ? -0.009 -1.850 25.415 1.00 7.80 ? 92 VAL B CA 1 ATOM 4900 C C . VAL B 1 92 ? -1.381 -2.397 25.800 1.00 8.78 ? 92 VAL B C 1 ATOM 4901 O O . VAL B 1 92 ? -2.378 -2.156 25.115 1.00 9.16 ? 92 VAL B O 1 ATOM 4902 C CB . VAL B 1 92 ? 0.233 -0.493 26.064 1.00 8.60 ? 92 VAL B CB 1 ATOM 4903 C CG1 . VAL B 1 92 ? -0.899 0.464 25.738 1.00 12.76 ? 92 VAL B CG1 1 ATOM 4904 C CG2 . VAL B 1 92 ? 0.428 -0.632 27.570 1.00 12.02 ? 92 VAL B CG2 1 ATOM 4905 H H . VAL B 1 92 ? -0.612 -1.484 23.583 1.00 9.86 ? 92 VAL B H 1 ATOM 4906 H HA . VAL B 1 92 ? 0.671 -2.471 25.750 1.00 9.35 ? 92 VAL B HA 1 ATOM 4907 H HB . VAL B 1 92 ? 1.056 -0.113 25.693 1.00 10.31 ? 92 VAL B HB 1 ATOM 4908 H HG11 . VAL B 1 92 ? -0.723 1.309 26.158 1.00 15.30 ? 92 VAL B HG11 1 ATOM 4909 H HG12 . VAL B 1 92 ? -0.949 0.575 24.786 1.00 15.30 ? 92 VAL B HG12 1 ATOM 4910 H HG13 . VAL B 1 92 ? -1.722 0.098 26.070 1.00 15.30 ? 92 VAL B HG13 1 ATOM 4911 H HG21 . VAL B 1 92 ? 0.577 0.238 27.947 1.00 14.41 ? 92 VAL B HG21 1 ATOM 4912 H HG22 . VAL B 1 92 ? -0.361 -1.024 27.952 1.00 14.41 ? 92 VAL B HG22 1 ATOM 4913 H HG23 . VAL B 1 92 ? 1.187 -1.196 27.736 1.00 14.41 ? 92 VAL B HG23 1 ATOM 4914 N N . HIS B 1 93 ? -1.443 -3.112 26.921 1.00 7.65 ? 93 HIS B N 1 ATOM 4915 C CA . HIS B 1 93 ? -2.688 -3.473 27.570 1.00 7.40 ? 93 HIS B CA 1 ATOM 4916 C C . HIS B 1 93 ? -2.736 -2.694 28.848 1.00 7.91 ? 93 HIS B C 1 ATOM 4917 O O . HIS B 1 93 ? -1.807 -2.662 29.627 1.00 8.85 ? 93 HIS B O 1 ATOM 4918 C CB . HIS B 1 93 ? -2.741 -4.953 27.858 1.00 8.34 ? 93 HIS B CB 1 ATOM 4919 C CG . HIS B 1 93 ? -4.036 -5.367 28.458 1.00 8.04 ? 93 HIS B CG 1 ATOM 4920 N ND1 . HIS B 1 93 ? -4.218 -5.509 29.815 1.00 10.21 ? 93 HIS B ND1 1 ATOM 4921 C CD2 . HIS B 1 93 ? -5.246 -5.565 27.884 1.00 9.13 ? 93 HIS B CD2 1 ATOM 4922 C CE1 . HIS B 1 93 ? -5.478 -5.826 30.041 1.00 8.36 ? 93 HIS B CE1 1 ATOM 4923 N NE2 . HIS B 1 93 ? -6.122 -5.867 28.886 1.00 10.27 ? 93 HIS B NE2 1 ATOM 4924 H H . HIS B 1 93 ? -0.749 -3.407 27.334 1.00 9.17 ? 93 HIS B H 1 ATOM 4925 H HA . HIS B 1 93 ? -3.451 -3.223 27.008 1.00 8.87 ? 93 HIS B HA 1 ATOM 4926 H HB2 . HIS B 1 93 ? -2.623 -5.442 27.028 1.00 9.99 ? 93 HIS B HB2 1 ATOM 4927 H HB3 . HIS B 1 93 ? -2.034 -5.181 28.481 1.00 9.99 ? 93 HIS B HB3 1 ATOM 4928 H HD2 . HIS B 1 93 ? -5.438 -5.525 26.975 1.00 10.95 ? 93 HIS B HD2 1 ATOM 4929 H HE1 . HIS B 1 93 ? -5.850 -6.000 30.875 1.00 10.02 ? 93 HIS B HE1 1 ATOM 4930 H HE2 . HIS B 1 93 ? -6.954 -6.060 28.782 1.00 12.31 ? 93 HIS B HE2 1 ATOM 4931 N N . ILE B 1 94 ? -3.807 -1.931 29.012 1.00 7.61 ? 94 ILE B N 1 ATOM 4932 C CA . ILE B 1 94 ? -3.984 -1.049 30.158 1.00 8.30 ? 94 ILE B CA 1 ATOM 4933 C C . ILE B 1 94 ? -5.192 -1.472 30.957 1.00 8.44 ? 94 ILE B C 1 ATOM 4934 O O . ILE B 1 94 ? -6.269 -1.681 30.405 1.00 10.22 ? 94 ILE B O 1 ATOM 4935 C CB . ILE B 1 94 ? -4.216 0.380 29.686 1.00 9.48 ? 94 ILE B CB 1 ATOM 4936 C CG1 . ILE B 1 94 ? -2.998 0.897 28.913 1.00 10.32 ? 94 ILE B CG1 1 ATOM 4937 C CG2 . ILE B 1 94 ? -4.567 1.276 30.872 1.00 12.46 ? 94 ILE B CG2 1 ATOM 4938 C CD1 . ILE B 1 94 ? -3.289 2.093 27.975 1.00 13.67 ? 94 ILE B CD1 1 ATOM 4939 H H . ILE B 1 94 ? -4.463 -1.906 28.457 1.00 9.12 ? 94 ILE B H 1 ATOM 4940 H HA . ILE B 1 94 ? -3.191 -1.075 30.732 1.00 9.94 ? 94 ILE B HA 1 ATOM 4941 H HB . ILE B 1 94 ? -4.974 0.376 29.080 1.00 11.36 ? 94 ILE B HB 1 ATOM 4942 H HG12 . ILE B 1 94 ? -2.325 1.181 29.551 1.00 12.38 ? 94 ILE B HG12 1 ATOM 4943 H HG13 . ILE B 1 94 ? -2.648 0.175 28.369 1.00 12.38 ? 94 ILE B HG13 1 ATOM 4944 H HG21 . ILE B 1 94 ? -4.709 2.171 30.556 1.00 14.93 ? 94 ILE B HG21 1 ATOM 4945 H HG22 . ILE B 1 94 ? -5.366 0.944 31.288 1.00 14.93 ? 94 ILE B HG22 1 ATOM 4946 H HG23 . ILE B 1 94 ? -3.840 1.262 31.499 1.00 14.93 ? 94 ILE B HG23 1 ATOM 4947 H HD11 . ILE B 1 94 ? -2.476 2.350 27.535 1.00 16.39 ? 94 ILE B HD11 1 ATOM 4948 H HD12 . ILE B 1 94 ? -3.944 1.828 27.325 1.00 16.39 ? 94 ILE B HD12 1 ATOM 4949 H HD13 . ILE B 1 94 ? -3.624 2.826 28.498 1.00 16.39 ? 94 ILE B HD13 1 ATOM 4950 N N . CYS B 1 95 ? -5.046 -1.649 32.257 1.00 9.40 ? 95 CYS B N 1 ATOM 4951 C CA . CYS B 1 95 ? -6.190 -1.802 33.128 1.00 11.45 ? 95 CYS B CA 1 ATOM 4952 C C . CYS B 1 95 ? -6.060 -0.737 34.196 1.00 10.40 ? 95 CYS B C 1 ATOM 4953 O O . CYS B 1 95 ? -4.964 -0.424 34.674 1.00 10.02 ? 95 CYS B O 1 ATOM 4954 C CB . CYS B 1 95 ? -6.168 -3.164 33.782 1.00 12.64 ? 95 CYS B CB 1 ATOM 4955 S SG . CYS B 1 95 ? -6.831 -4.583 32.866 1.00 23.30 ? 95 CYS B SG 1 ATOM 4956 H H . CYS B 1 95 ? -4.288 -1.685 32.661 1.00 11.27 ? 95 CYS B H 1 ATOM 4957 H HA . CYS B 1 95 ? -7.027 -1.680 32.633 1.00 13.72 ? 95 CYS B HA 1 ATOM 4958 H HB2 . CYS B 1 95 ? -5.245 -3.375 33.993 1.00 15.15 ? 95 CYS B HB2 1 ATOM 4959 H HB3 . CYS B 1 95 ? -6.673 -3.103 34.608 1.00 15.15 ? 95 CYS B HB3 1 ATOM 4960 N N . VAL B 1 96 ? -7.186 -0.151 34.610 1.00 7.87 ? 96 VAL B N 1 ATOM 4961 C CA . VAL B 1 96 ? -7.187 0.735 35.747 1.00 8.69 ? 96 VAL B CA 1 ATOM 4962 C C . VAL B 1 96 ? -8.433 0.501 36.574 1.00 7.35 ? 96 VAL B C 1 ATOM 4963 O O . VAL B 1 96 ? -9.526 0.366 36.017 1.00 8.26 ? 96 VAL B O 1 ATOM 4964 C CB . VAL B 1 96 ? -7.065 2.229 35.316 1.00 10.57 ? 96 VAL B CB 1 ATOM 4965 C CG1 . VAL B 1 96 ? -8.216 2.673 34.403 1.00 11.83 ? 96 VAL B CG1 1 ATOM 4966 C CG2 . VAL B 1 96 ? -6.904 3.113 36.565 1.00 12.78 ? 96 VAL B CG2 1 ATOM 4967 H H . VAL B 1 96 ? -7.956 -0.258 34.243 1.00 9.44 ? 96 VAL B H 1 ATOM 4968 H HA . VAL B 1 96 ? -6.413 0.524 36.310 1.00 10.41 ? 96 VAL B HA 1 ATOM 4969 H HB . VAL B 1 96 ? -6.240 2.323 34.795 1.00 12.68 ? 96 VAL B HB 1 ATOM 4970 H HG11 . VAL B 1 96 ? -8.091 3.596 34.170 1.00 14.19 ? 96 VAL B HG11 1 ATOM 4971 H HG12 . VAL B 1 96 ? -8.213 2.131 33.611 1.00 14.19 ? 96 VAL B HG12 1 ATOM 4972 H HG13 . VAL B 1 96 ? -9.046 2.563 34.872 1.00 14.19 ? 96 VAL B HG13 1 ATOM 4973 H HG21 . VAL B 1 96 ? -6.829 4.030 36.291 1.00 15.33 ? 96 VAL B HG21 1 ATOM 4974 H HG22 . VAL B 1 96 ? -7.673 3.001 37.128 1.00 15.33 ? 96 VAL B HG22 1 ATOM 4975 H HG23 . VAL B 1 96 ? -6.111 2.846 37.036 1.00 15.33 ? 96 VAL B HG23 1 ATOM 4976 N N . SER B 1 97 ? -8.273 0.417 37.885 1.00 8.68 ? 97 SER B N 1 ATOM 4977 C CA . SER B 1 97 ? -9.436 0.298 38.792 1.00 7.30 ? 97 SER B CA 1 ATOM 4978 C C . SER B 1 97 ? -9.396 1.425 39.790 1.00 8.11 ? 97 SER B C 1 ATOM 4979 O O . SER B 1 97 ? -8.332 2.008 40.078 1.00 8.50 ? 97 SER B O 1 ATOM 4980 C CB . SER B 1 97 ? -9.428 -1.032 39.537 1.00 9.10 ? 97 SER B CB 1 ATOM 4981 O OG . SER B 1 97 ? -8.319 -1.088 40.421 1.00 10.75 ? 97 SER B OG 1 ATOM 4982 H H . SER B 1 97 ? -7.512 0.425 38.285 1.00 10.41 ? 97 SER B H 1 ATOM 4983 H HA . SER B 1 97 ? -10.266 0.365 38.275 1.00 8.75 ? 97 SER B HA 1 ATOM 4984 H HB2 . SER B 1 97 ? -10.248 -1.114 40.049 1.00 10.91 ? 97 SER B HB2 1 ATOM 4985 H HB3 . SER B 1 97 ? -9.360 -1.756 38.895 1.00 10.91 ? 97 SER B HB3 1 ATOM 4986 H HG . SER B 1 97 ? -8.316 -1.804 40.821 1.00 12.89 ? 97 SER B HG 1 ATOM 4987 N N . TRP B 1 98 ? -10.560 1.723 40.342 1.00 7.91 ? 98 TRP B N 1 ATOM 4988 C CA . TRP B 1 98 ? -10.687 2.693 41.403 1.00 8.24 ? 98 TRP B CA 1 ATOM 4989 C C . TRP B 1 98 ? -11.771 2.261 42.389 1.00 7.52 ? 98 TRP B C 1 ATOM 4990 O O . TRP B 1 98 ? -12.793 1.714 41.982 1.00 8.90 ? 98 TRP B O 1 ATOM 4991 C CB . TRP B 1 98 ? -10.961 4.092 40.842 1.00 9.76 ? 98 TRP B CB 1 ATOM 4992 C CG . TRP B 1 98 ? -11.138 5.136 41.871 1.00 8.97 ? 98 TRP B CG 1 ATOM 4993 C CD1 . TRP B 1 98 ? -10.167 5.781 42.571 1.00 9.23 ? 98 TRP B CD1 1 ATOM 4994 C CD2 . TRP B 1 98 ? -12.392 5.675 42.318 1.00 9.14 ? 98 TRP B CD2 1 ATOM 4995 N NE1 . TRP B 1 98 ? -10.748 6.702 43.442 1.00 9.60 ? 98 TRP B NE1 1 ATOM 4996 C CE2 . TRP B 1 98 ? -12.107 6.654 43.287 1.00 9.14 ? 98 TRP B CE2 1 ATOM 4997 C CE3 . TRP B 1 98 ? -13.731 5.394 41.997 1.00 9.36 ? 98 TRP B CE3 1 ATOM 4998 C CZ2 . TRP B 1 98 ? -13.129 7.370 43.945 1.00 9.17 ? 98 TRP B CZ2 1 ATOM 4999 C CZ3 . TRP B 1 98 ? -14.728 6.123 42.634 1.00 11.23 ? 98 TRP B CZ3 1 ATOM 5000 C CH2 . TRP B 1 98 ? -14.407 7.090 43.580 1.00 10.46 ? 98 TRP B CH2 1 ATOM 5001 H H . TRP B 1 98 ? -11.307 1.366 40.110 1.00 9.48 ? 98 TRP B H 1 ATOM 5002 H HA . TRP B 1 98 ? -9.839 2.732 41.894 1.00 9.87 ? 98 TRP B HA 1 ATOM 5003 H HB2 . TRP B 1 98 ? -10.213 4.354 40.282 1.00 11.70 ? 98 TRP B HB2 1 ATOM 5004 H HB3 . TRP B 1 98 ? -11.772 4.060 40.311 1.00 11.70 ? 98 TRP B HB3 1 ATOM 5005 H HD1 . TRP B 1 98 ? -9.253 5.639 42.474 1.00 11.06 ? 98 TRP B HD1 1 ATOM 5006 H HE1 . TRP B 1 98 ? -10.322 7.230 43.971 1.00 11.51 ? 98 TRP B HE1 1 ATOM 5007 H HE3 . TRP B 1 98 ? -13.943 4.766 41.344 1.00 11.22 ? 98 TRP B HE3 1 ATOM 5008 H HZ2 . TRP B 1 98 ? -12.936 8.015 44.587 1.00 11.00 ? 98 TRP B HZ2 1 ATOM 5009 H HZ3 . TRP B 1 98 ? -15.620 5.965 42.422 1.00 13.46 ? 98 TRP B HZ3 1 ATOM 5010 H HH2 . TRP B 1 98 ? -15.100 7.546 44.002 1.00 12.55 ? 98 TRP B HH2 1 ATOM 5011 N N . GLU B 1 99 ? -11.489 2.486 43.664 1.00 9.62 ? 99 GLU B N 1 ATOM 5012 C CA . GLU B 1 99 ? -12.337 2.033 44.773 1.00 10.09 ? 99 GLU B CA 1 ATOM 5013 C C . GLU B 1 99 ? -12.646 3.245 45.642 1.00 11.05 ? 99 GLU B C 1 ATOM 5014 O O . GLU B 1 99 ? -11.766 3.775 46.298 1.00 10.71 ? 99 GLU B O 1 ATOM 5015 C CB . GLU B 1 99 ? -11.569 0.967 45.576 1.00 10.60 ? 99 GLU B CB 1 ATOM 5016 C CG . GLU B 1 99 ? -12.420 0.311 46.672 1.00 13.37 ? 99 GLU B CG 1 ATOM 5017 C CD . GLU B 1 99 ? -11.573 -0.570 47.573 1.00 20.45 ? 99 GLU B CD 1 ATOM 5018 O OE1 . GLU B 1 99 ? -10.553 -0.074 48.087 1.00 14.16 ? 99 GLU B OE1 1 ATOM 5019 O OE2 . GLU B 1 99 ? -11.937 -1.749 47.781 1.00 24.94 ? 99 GLU B OE2 1 ATOM 5020 H H . GLU B 1 99 ? -10.790 2.913 43.926 1.00 11.53 ? 99 GLU B H 1 ATOM 5021 H HA . GLU B 1 99 ? -13.173 1.651 44.434 1.00 12.10 ? 99 GLU B HA 1 ATOM 5022 H HB2 . GLU B 1 99 ? -11.273 0.270 44.971 1.00 12.71 ? 99 GLU B HB2 1 ATOM 5023 H HB3 . GLU B 1 99 ? -10.804 1.384 46.002 1.00 12.71 ? 99 GLU B HB3 1 ATOM 5024 H HG2 . GLU B 1 99 ? -12.829 1.001 47.218 1.00 16.04 ? 99 GLU B HG2 1 ATOM 5025 H HG3 . GLU B 1 99 ? -13.103 -0.242 46.261 1.00 16.04 ? 99 GLU B HG3 1 ATOM 5026 N N . SER B 1 100 ? -13.895 3.711 45.639 1.00 10.06 ? 100 SER B N 1 ATOM 5027 C CA . SER B 1 100 ? -14.249 4.868 46.446 1.00 10.56 ? 100 SER B CA 1 ATOM 5028 C C . SER B 1 100 ? -13.916 4.748 47.929 1.00 10.05 ? 100 SER B C 1 ATOM 5029 O O . SER B 1 100 ? -13.454 5.684 48.537 1.00 10.29 ? 100 SER B O 1 ATOM 5030 C CB . SER B 1 100 ? -15.756 5.154 46.322 1.00 11.71 ? 100 SER B CB 1 ATOM 5031 O OG . SER B 1 100 ? -16.089 6.242 47.139 1.00 12.38 ? 100 SER B OG 1 ATOM 5032 H H . SER B 1 100 ? -14.544 3.379 45.184 1.00 12.06 ? 100 SER B H 1 ATOM 5033 H HA . SER B 1 100 ? -13.769 5.649 46.098 1.00 12.66 ? 100 SER B HA 1 ATOM 5034 H HB2 . SER B 1 100 ? -15.967 5.369 45.400 1.00 14.04 ? 100 SER B HB2 1 ATOM 5035 H HB3 . SER B 1 100 ? -16.255 4.373 46.609 1.00 14.04 ? 100 SER B HB3 1 ATOM 5036 H HG . SER B 1 100 ? -16.891 6.402 47.079 1.00 14.85 ? 100 SER B HG 1 ATOM 5037 N N . SER B 1 101 ? -14.167 3.582 48.506 1.00 9.52 ? 101 SER B N 1 ATOM 5038 C CA . SER B 1 101 ? -14.041 3.463 49.949 1.00 11.74 ? 101 SER B CA 1 ATOM 5039 C C . SER B 1 101 ? -12.651 3.818 50.444 1.00 11.26 ? 101 SER B C 1 ATOM 5040 O O . SER B 1 101 ? -12.495 4.394 51.529 1.00 13.25 ? 101 SER B O 1 ATOM 5041 C CB . SER B 1 101 ? -14.435 2.073 50.416 1.00 13.52 ? 101 SER B CB 1 ATOM 5042 O OG . SER B 1 101 ? -13.652 1.052 49.844 1.00 16.41 ? 101 SER B OG 1 ATOM 5043 H H . SER B 1 101 ? -14.405 2.863 48.098 1.00 11.41 ? 101 SER B H 1 ATOM 5044 H HA . SER B 1 101 ? -14.665 4.096 50.363 1.00 14.07 ? 101 SER B HA 1 ATOM 5045 H HB2 . SER B 1 101 ? -14.336 2.033 51.380 1.00 16.21 ? 101 SER B HB2 1 ATOM 5046 H HB3 . SER B 1 101 ? -15.363 1.920 50.178 1.00 16.21 ? 101 SER B HB3 1 ATOM 5047 H HG . SER B 1 101 ? -13.898 0.321 50.123 1.00 19.69 ? 101 SER B HG 1 ATOM 5048 N N . SER B 1 102 ? -11.636 3.452 49.652 1.00 10.32 ? 102 SER B N 1 ATOM 5049 C CA . SER B 1 102 ? -10.255 3.779 49.974 1.00 10.75 ? 102 SER B CA 1 ATOM 5050 C C . SER B 1 102 ? -9.644 4.922 49.185 1.00 9.03 ? 102 SER B C 1 ATOM 5051 O O . SER B 1 102 ? -8.606 5.446 49.562 1.00 11.53 ? 102 SER B O 1 ATOM 5052 C CB . SER B 1 102 ? -9.347 2.580 49.698 1.00 10.44 ? 102 SER B CB 1 ATOM 5053 O OG . SER B 1 102 ? -9.425 2.208 48.327 1.00 11.26 ? 102 SER B OG 1 ATOM 5054 H H . SER B 1 102 ? -11.729 3.012 48.919 1.00 12.37 ? 102 SER B H 1 ATOM 5055 H HA . SER B 1 102 ? -10.191 3.998 50.927 1.00 12.89 ? 102 SER B HA 1 ATOM 5056 H HB2 . SER B 1 102 ? -8.432 2.819 49.910 1.00 12.51 ? 102 SER B HB2 1 ATOM 5057 H HB3 . SER B 1 102 ? -9.633 1.833 50.246 1.00 12.51 ? 102 SER B HB3 1 ATOM 5058 H HG . SER B 1 102 ? -8.937 1.565 48.183 1.00 13.51 ? 102 SER B HG 1 ATOM 5059 N N . GLY B 1 103 ? -10.268 5.246 48.063 1.00 10.22 ? 103 GLY B N 1 ATOM 5060 C CA . GLY B 1 103 ? -9.733 6.165 47.082 1.00 10.13 ? 103 GLY B CA 1 ATOM 5061 C C . GLY B 1 103 ? -8.636 5.580 46.187 1.00 10.25 ? 103 GLY B C 1 ATOM 5062 O O . GLY B 1 103 ? -8.102 6.280 45.337 1.00 9.04 ? 103 GLY B O 1 ATOM 5063 H H . GLY B 1 103 ? -11.036 4.930 47.843 1.00 12.26 ? 103 GLY B H 1 ATOM 5064 H HA2 . GLY B 1 103 ? -10.455 6.471 46.510 1.00 12.15 ? 103 GLY B HA2 1 ATOM 5065 H HA3 . GLY B 1 103 ? -9.366 6.937 47.540 1.00 12.15 ? 103 GLY B HA3 1 ATOM 5066 N N . ILE B 1 104 ? -8.339 4.291 46.361 1.00 8.42 ? 104 ILE B N 1 ATOM 5067 C CA . ILE B 1 104 ? -7.170 3.726 45.657 1.00 9.25 ? 104 ILE B CA 1 ATOM 5068 C C . ILE B 1 104 ? -7.430 3.470 44.185 1.00 8.24 ? 104 ILE B C 1 ATOM 5069 O O . ILE B 1 104 ? -8.416 2.827 43.799 1.00 8.61 ? 104 ILE B O 1 ATOM 5070 C CB . ILE B 1 104 ? -6.720 2.429 46.337 1.00 11.01 ? 104 ILE B CB 1 ATOM 5071 C CG1 . ILE B 1 104 ? -6.189 2.710 47.744 1.00 12.40 ? 104 ILE B CG1 1 ATOM 5072 C CG2 . ILE B 1 104 ? -5.643 1.722 45.472 1.00 13.41 ? 104 ILE B CG2 1 ATOM 5073 C CD1 . ILE B 1 104 ? -4.977 3.564 47.804 1.00 14.21 ? 104 ILE B CD1 1 ATOM 5074 H H . ILE B 1 104 ? -8.773 3.739 46.857 1.00 10.09 ? 104 ILE B H 1 ATOM 5075 H HA . ILE B 1 104 ? -6.430 4.365 45.720 1.00 11.09 ? 104 ILE B HA 1 ATOM 5076 H HB . ILE B 1 104 ? -7.487 1.841 46.411 1.00 13.20 ? 104 ILE B HB 1 ATOM 5077 H HG12 . ILE B 1 104 ? -6.886 3.155 48.252 1.00 14.86 ? 104 ILE B HG12 1 ATOM 5078 H HG13 . ILE B 1 104 ? -5.971 1.864 48.165 1.00 14.86 ? 104 ILE B HG13 1 ATOM 5079 H HG21 . ILE B 1 104 ? -5.372 0.912 45.912 1.00 16.08 ? 104 ILE B HG21 1 ATOM 5080 H HG22 . ILE B 1 104 ? -6.018 1.518 44.612 1.00 16.08 ? 104 ILE B HG22 1 ATOM 5081 H HG23 . ILE B 1 104 ? -4.889 2.308 45.371 1.00 16.08 ? 104 ILE B HG23 1 ATOM 5082 H HD11 . ILE B 1 104 ? -4.724 3.682 48.723 1.00 17.04 ? 104 ILE B HD11 1 ATOM 5083 H HD12 . ILE B 1 104 ? -4.268 3.134 47.321 1.00 17.04 ? 104 ILE B HD12 1 ATOM 5084 H HD13 . ILE B 1 104 ? -5.175 4.416 47.408 1.00 17.04 ? 104 ILE B HD13 1 ATOM 5085 N N . ALA B 1 105 ? -6.520 3.995 43.380 1.00 8.46 ? 105 ALA B N 1 ATOM 5086 C CA . ALA B 1 105 ? -6.420 3.735 41.956 1.00 7.86 ? 105 ALA B CA 1 ATOM 5087 C C . ALA B 1 105 ? -5.256 2.799 41.652 1.00 7.83 ? 105 ALA B C 1 ATOM 5088 O O . ALA B 1 105 ? -4.140 3.039 42.101 1.00 9.37 ? 105 ALA B O 1 ATOM 5089 C CB . ALA B 1 105 ? -6.222 5.049 41.221 1.00 10.78 ? 105 ALA B CB 1 ATOM 5090 H H . ALA B 1 105 ? -5.913 4.538 43.657 1.00 10.14 ? 105 ALA B H 1 ATOM 5091 H HA . ALA B 1 105 ? -7.249 3.320 41.638 1.00 9.42 ? 105 ALA B HA 1 ATOM 5092 H HB1 . ALA B 1 105 ? -6.156 4.873 40.279 1.00 12.92 ? 105 ALA B HB1 1 ATOM 5093 H HB2 . ALA B 1 105 ? -6.972 5.622 41.396 1.00 12.92 ? 105 ALA B HB2 1 ATOM 5094 H HB3 . ALA B 1 105 ? -5.414 5.463 41.534 1.00 12.92 ? 105 ALA B HB3 1 ATOM 5095 N N . GLU B 1 106 ? -5.540 1.753 40.890 1.00 8.23 ? 106 GLU B N 1 ATOM 5096 C CA . GLU B 1 106 ? -4.530 0.769 40.456 1.00 8.48 ? 106 GLU B CA 1 ATOM 5097 C C . GLU B 1 106 ? -4.442 0.738 38.956 1.00 9.70 ? 106 GLU B C 1 ATOM 5098 O O . GLU B 1 106 ? -5.376 0.302 38.305 1.00 10.85 ? 106 GLU B O 1 ATOM 5099 C CB . GLU B 1 106 ? -4.937 -0.659 40.800 1.00 13.12 ? 106 GLU B CB 1 ATOM 5100 C CG . GLU B 1 106 ? -5.115 -0.967 42.209 1.00 13.23 ? 106 GLU B CG 1 ATOM 5101 C CD . GLU B 1 106 ? -5.313 -2.472 42.494 1.00 15.63 ? 106 GLU B CD 1 ATOM 5102 O OE1 . GLU B 1 106 ? -5.179 -3.371 41.576 1.00 16.20 ? 106 GLU B OE1 1 ATOM 5103 O OE2 . GLU B 1 106 ? -5.599 -2.738 43.685 1.00 20.72 ? 106 GLU B OE2 1 ATOM 5104 H H . GLU B 1 106 ? -6.331 1.579 40.598 1.00 9.86 ? 106 GLU B H 1 ATOM 5105 H HA . GLU B 1 106 ? -3.651 0.971 40.841 1.00 10.17 ? 106 GLU B HA 1 ATOM 5106 H HB2 . GLU B 1 106 ? -5.778 -0.849 40.357 1.00 15.73 ? 106 GLU B HB2 1 ATOM 5107 H HB3 . GLU B 1 106 ? -4.254 -1.259 40.461 1.00 15.73 ? 106 GLU B HB3 1 ATOM 5108 H HG2 . GLU B 1 106 ? -4.329 -0.673 42.696 1.00 15.86 ? 106 GLU B HG2 1 ATOM 5109 H HG3 . GLU B 1 106 ? -5.899 -0.497 42.535 1.00 15.86 ? 106 GLU B HG3 1 ATOM 5110 N N . PHE B 1 107 ? -3.302 1.144 38.407 1.00 9.44 ? 107 PHE B N 1 ATOM 5111 C CA . PHE B 1 107 ? -2.990 0.900 36.997 1.00 8.29 ? 107 PHE B CA 1 ATOM 5112 C C . PHE B 1 107 ? -2.195 -0.387 36.852 1.00 7.55 ? 107 PHE B C 1 ATOM 5113 O O . PHE B 1 107 ? -1.317 -0.684 37.659 1.00 8.33 ? 107 PHE B O 1 ATOM 5114 C CB . PHE B 1 107 ? -2.134 2.016 36.396 1.00 9.19 ? 107 PHE B CB 1 ATOM 5115 C CG . PHE B 1 107 ? -2.925 3.218 35.869 1.00 8.88 ? 107 PHE B CG 1 ATOM 5116 C CD1 . PHE B 1 107 ? -3.537 3.165 34.628 1.00 9.77 ? 107 PHE B CD1 1 ATOM 5117 C CD2 . PHE B 1 107 ? -2.972 4.391 36.571 1.00 9.96 ? 107 PHE B CD2 1 ATOM 5118 C CE1 . PHE B 1 107 ? -4.223 4.260 34.122 1.00 8.48 ? 107 PHE B CE1 1 ATOM 5119 C CE2 . PHE B 1 107 ? -3.668 5.477 36.071 1.00 10.12 ? 107 PHE B CE2 1 ATOM 5120 C CZ . PHE B 1 107 ? -4.254 5.412 34.864 1.00 8.61 ? 107 PHE B CZ 1 ATOM 5121 H H . PHE B 1 107 ? -2.686 1.568 38.831 1.00 11.32 ? 107 PHE B H 1 ATOM 5122 H HA . PHE B 1 107 ? -3.819 0.822 36.480 1.00 9.93 ? 107 PHE B HA 1 ATOM 5123 H HB2 . PHE B 1 107 ? -1.526 2.341 37.078 1.00 11.02 ? 107 PHE B HB2 1 ATOM 5124 H HB3 . PHE B 1 107 ? -1.626 1.651 35.654 1.00 11.02 ? 107 PHE B HB3 1 ATOM 5125 H HD1 . PHE B 1 107 ? -3.495 2.381 34.129 1.00 11.71 ? 107 PHE B HD1 1 ATOM 5126 H HD2 . PHE B 1 107 ? -2.558 4.449 37.402 1.00 11.94 ? 107 PHE B HD2 1 ATOM 5127 H HE1 . PHE B 1 107 ? -4.644 4.216 33.294 1.00 10.16 ? 107 PHE B HE1 1 ATOM 5128 H HE2 . PHE B 1 107 ? -3.704 6.267 36.561 1.00 12.14 ? 107 PHE B HE2 1 ATOM 5129 H HZ . PHE B 1 107 ? -4.724 6.147 34.545 1.00 10.32 ? 107 PHE B HZ 1 ATOM 5130 N N . TRP B 1 108 ? -2.488 -1.130 35.796 1.00 7.18 ? 108 TRP B N 1 ATOM 5131 C CA . TRP B 1 108 ? -1.749 -2.339 35.396 1.00 5.79 ? 108 TRP B CA 1 ATOM 5132 C C . TRP B 1 108 ? -1.401 -2.176 33.934 1.00 7.79 ? 108 TRP B C 1 ATOM 5133 O O . TRP B 1 108 ? -2.280 -1.949 33.095 1.00 9.16 ? 108 TRP B O 1 ATOM 5134 C CB . TRP B 1 108 ? -2.587 -3.598 35.580 1.00 10.59 ? 108 TRP B CB 1 ATOM 5135 C CG . TRP B 1 108 ? -2.936 -3.916 37.011 1.00 10.40 ? 108 TRP B CG 1 ATOM 5136 C CD1 . TRP B 1 108 ? -3.782 -3.233 37.812 1.00 12.78 ? 108 TRP B CD1 1 ATOM 5137 C CD2 . TRP B 1 108 ? -2.415 -5.008 37.786 1.00 9.96 ? 108 TRP B CD2 1 ATOM 5138 N NE1 . TRP B 1 108 ? -3.829 -3.830 39.059 1.00 13.25 ? 108 TRP B NE1 1 ATOM 5139 C CE2 . TRP B 1 108 ? -2.987 -4.910 39.063 1.00 10.97 ? 108 TRP B CE2 1 ATOM 5140 C CE3 . TRP B 1 108 ? -1.498 -6.028 37.522 1.00 11.35 ? 108 TRP B CE3 1 ATOM 5141 C CZ2 . TRP B 1 108 ? -2.730 -5.837 40.076 1.00 14.25 ? 108 TRP B CZ2 1 ATOM 5142 C CZ3 . TRP B 1 108 ? -1.215 -6.944 38.550 1.00 14.80 ? 108 TRP B CZ3 1 ATOM 5143 C CH2 . TRP B 1 108 ? -1.849 -6.832 39.801 1.00 14.50 ? 108 TRP B CH2 1 ATOM 5144 H H . TRP B 1 108 ? -3.141 -0.952 35.266 1.00 8.61 ? 108 TRP B H 1 ATOM 5145 H HA . TRP B 1 108 ? -0.923 -2.420 35.918 1.00 6.93 ? 108 TRP B HA 1 ATOM 5146 H HB2 . TRP B 1 108 ? -3.418 -3.491 35.092 1.00 12.70 ? 108 TRP B HB2 1 ATOM 5147 H HB3 . TRP B 1 108 ? -2.094 -4.353 35.223 1.00 12.70 ? 108 TRP B HB3 1 ATOM 5148 H HD1 . TRP B 1 108 ? -4.263 -2.477 37.562 1.00 15.32 ? 108 TRP B HD1 1 ATOM 5149 H HE1 . TRP B 1 108 ? -4.313 -3.570 39.721 1.00 15.88 ? 108 TRP B HE1 1 ATOM 5150 H HE3 . TRP B 1 108 ? -1.100 -6.110 36.685 1.00 13.61 ? 108 TRP B HE3 1 ATOM 5151 H HZ2 . TRP B 1 108 ? -3.122 -5.757 40.916 1.00 17.09 ? 108 TRP B HZ2 1 ATOM 5152 H HZ3 . TRP B 1 108 ? -0.624 -7.645 38.393 1.00 17.75 ? 108 TRP B HZ3 1 ATOM 5153 H HH2 . TRP B 1 108 ? -1.638 -7.443 40.469 1.00 17.39 ? 108 TRP B HH2 1 ATOM 5154 N N . ILE B 1 109 ? -0.132 -2.289 33.603 1.00 8.98 ? 109 ILE B N 1 ATOM 5155 C CA . ILE B 1 109 ? 0.329 -2.099 32.232 1.00 7.61 ? 109 ILE B CA 1 ATOM 5156 C C . ILE B 1 109 ? 0.945 -3.405 31.794 1.00 10.48 ? 109 ILE B C 1 ATOM 5157 O O . ILE B 1 109 ? 1.896 -3.892 32.427 1.00 11.57 ? 109 ILE B O 1 ATOM 5158 C CB . ILE B 1 109 ? 1.353 -0.985 32.181 1.00 8.39 ? 109 ILE B CB 1 ATOM 5159 C CG1 . ILE B 1 109 ? 0.735 0.338 32.669 1.00 11.84 ? 109 ILE B CG1 1 ATOM 5160 C CG2 . ILE B 1 109 ? 1.970 -0.897 30.794 1.00 12.04 ? 109 ILE B CG2 1 ATOM 5161 C CD1 . ILE B 1 109 ? -0.468 0.868 31.841 1.00 13.64 ? 109 ILE B CD1 1 ATOM 5162 H H . ILE B 1 109 ? 0.497 -2.478 34.158 1.00 10.77 ? 109 ILE B H 1 ATOM 5163 H HA . ILE B 1 109 ? -0.423 -1.879 31.644 1.00 9.12 ? 109 ILE B HA 1 ATOM 5164 H HB . ILE B 1 109 ? 2.064 -1.216 32.799 1.00 10.06 ? 109 ILE B HB 1 ATOM 5165 H HG12 . ILE B 1 109 ? 0.426 0.214 33.581 1.00 14.20 ? 109 ILE B HG12 1 ATOM 5166 H HG13 . ILE B 1 109 ? 1.422 1.022 32.652 1.00 14.20 ? 109 ILE B HG13 1 ATOM 5167 H HG21 . ILE B 1 109 ? 2.615 -0.186 30.784 1.00 14.43 ? 109 ILE B HG21 1 ATOM 5168 H HG22 . ILE B 1 109 ? 2.398 -1.731 30.589 1.00 14.43 ? 109 ILE B HG22 1 ATOM 5169 H HG23 . ILE B 1 109 ? 1.276 -0.719 30.155 1.00 14.43 ? 109 ILE B HG23 1 ATOM 5170 H HD11 . ILE B 1 109 ? -0.775 1.691 32.228 1.00 16.36 ? 109 ILE B HD11 1 ATOM 5171 H HD12 . ILE B 1 109 ? -0.182 1.017 30.936 1.00 16.36 ? 109 ILE B HD12 1 ATOM 5172 H HD13 . ILE B 1 109 ? -1.171 0.215 31.858 1.00 16.36 ? 109 ILE B HD13 1 ATOM 5173 N N . ASN B 1 110 ? 0.419 -3.994 30.740 1.00 9.76 ? 110 ASN B N 1 ATOM 5174 C CA . ASN B 1 110 ? 0.863 -5.336 30.296 1.00 10.12 ? 110 ASN B CA 1 ATOM 5175 C C . ASN B 1 110 ? 0.915 -6.354 31.412 1.00 14.10 ? 110 ASN B C 1 ATOM 5176 O O . ASN B 1 110 ? 1.874 -7.179 31.508 1.00 15.45 ? 110 ASN B O 1 ATOM 5177 C CB . ASN B 1 110 ? 2.186 -5.263 29.577 1.00 12.73 ? 110 ASN B CB 1 ATOM 5178 C CG . ASN B 1 110 ? 2.127 -4.356 28.379 1.00 12.48 ? 110 ASN B CG 1 ATOM 5179 O OD1 . ASN B 1 110 ? 1.081 -4.310 27.696 1.00 11.13 ? 110 ASN B OD1 1 ATOM 5180 N ND2 . ASN B 1 110 ? 3.187 -3.630 28.128 1.00 16.96 ? 110 ASN B ND2 1 ATOM 5181 H H . ASN B 1 110 ? -0.199 -3.651 30.251 1.00 11.70 ? 110 ASN B H 1 ATOM 5182 H HA . ASN B 1 110 ? 0.207 -5.666 29.646 1.00 12.14 ? 110 ASN B HA 1 ATOM 5183 H HB2 . ASN B 1 110 ? 2.860 -4.918 30.184 1.00 15.26 ? 110 ASN B HB2 1 ATOM 5184 H HB3 . ASN B 1 110 ? 2.433 -6.150 29.272 1.00 15.26 ? 110 ASN B HB3 1 ATOM 5185 H HD21 . ASN B 1 110 ? 3.194 -3.024 27.358 1.00 20.34 ? 110 ASN B HD21 1 ATOM 5186 H HD22 . ASN B 1 110 ? 3.973 -3.692 28.710 1.00 20.34 ? 110 ASN B HD22 1 ATOM 5187 N N . GLY B 1 111 ? -0.076 -6.294 32.270 1.00 9.91 ? 111 GLY B N 1 ATOM 5188 C CA . GLY B 1 111 ? -0.197 -7.239 33.378 1.00 12.48 ? 111 GLY B CA 1 ATOM 5189 C C . GLY B 1 111 ? 0.683 -6.969 34.576 1.00 16.24 ? 111 GLY B C 1 ATOM 5190 O O . GLY B 1 111 ? 0.699 -7.799 35.500 1.00 18.74 ? 111 GLY B O 1 ATOM 5191 H H . GLY B 1 111 ? -0.706 -5.709 32.241 1.00 11.88 ? 111 GLY B H 1 ATOM 5192 H HA2 . GLY B 1 111 ? -1.118 -7.244 33.683 1.00 14.96 ? 111 GLY B HA2 1 ATOM 5193 H HA3 . GLY B 1 111 ? 0.013 -8.128 33.052 1.00 14.96 ? 111 GLY B HA3 1 ATOM 5194 N N . THR B 1 112 ? 1.418 -5.863 34.566 1.00 12.17 ? 112 THR B N 1 ATOM 5195 C CA . THR B 1 112 ? 2.269 -5.492 35.696 1.00 12.82 ? 112 THR B CA 1 ATOM 5196 C C . THR B 1 112 ? 1.711 -4.285 36.433 1.00 12.23 ? 112 THR B C 1 ATOM 5197 O O . THR B 1 112 ? 1.368 -3.258 35.839 1.00 11.71 ? 112 THR B O 1 ATOM 5198 C CB . THR B 1 112 ? 3.694 -5.204 35.272 1.00 21.92 ? 112 THR B CB 1 ATOM 5199 O OG1 . THR B 1 112 ? 3.749 -4.006 34.535 1.00 23.04 ? 112 THR B OG1 1 ATOM 5200 C CG2 . THR B 1 112 ? 4.220 -6.299 34.404 1.00 18.15 ? 112 THR B CG2 1 ATOM 5201 H H . THR B 1 112 ? 1.442 -5.305 33.913 1.00 14.59 ? 112 THR B H 1 ATOM 5202 H HA . THR B 1 112 ? 2.294 -6.240 36.328 1.00 15.37 ? 112 THR B HA 1 ATOM 5203 H HB . THR B 1 112 ? 4.260 -5.131 36.056 1.00 26.30 ? 112 THR B HB 1 ATOM 5204 H HG1 . THR B 1 112 ? 3.280 -4.068 33.865 1.00 27.64 ? 112 THR B HG1 1 ATOM 5205 H HG21 . THR B 1 112 ? 5.123 -6.105 34.142 1.00 21.77 ? 112 THR B HG21 1 ATOM 5206 H HG22 . THR B 1 112 ? 4.206 -7.132 34.881 1.00 21.77 ? 112 THR B HG22 1 ATOM 5207 H HG23 . THR B 1 112 ? 3.678 -6.382 33.616 1.00 21.77 ? 112 THR B HG23 1 ATOM 5208 N N . PRO B 1 113 ? 1.640 -4.387 37.754 1.00 9.71 ? 113 PRO B N 1 ATOM 5209 C CA . PRO B 1 113 ? 1.043 -3.317 38.549 1.00 8.09 ? 113 PRO B CA 1 ATOM 5210 C C . PRO B 1 113 ? 1.960 -2.125 38.704 1.00 8.89 ? 113 PRO B C 1 ATOM 5211 O O . PRO B 1 113 ? 3.168 -2.265 38.974 1.00 8.84 ? 113 PRO B O 1 ATOM 5212 C CB . PRO B 1 113 ? 0.801 -3.989 39.899 1.00 9.61 ? 113 PRO B CB 1 ATOM 5213 C CG . PRO B 1 113 ? 1.900 -4.998 39.981 1.00 10.03 ? 113 PRO B CG 1 ATOM 5214 C CD . PRO B 1 113 ? 2.029 -5.539 38.595 1.00 11.18 ? 113 PRO B CD 1 ATOM 5215 H HA . PRO B 1 113 ? 0.189 -3.032 38.163 1.00 9.70 ? 113 PRO B HA 1 ATOM 5216 H HB2 . PRO B 1 113 ? 0.873 -3.336 40.612 1.00 11.52 ? 113 PRO B HB2 1 ATOM 5217 H HB3 . PRO B 1 113 ? -0.068 -4.419 39.904 1.00 11.52 ? 113 PRO B HB3 1 ATOM 5218 H HG2 . PRO B 1 113 ? 2.723 -4.565 40.259 1.00 12.02 ? 113 PRO B HG2 1 ATOM 5219 H HG3 . PRO B 1 113 ? 1.654 -5.701 40.603 1.00 12.02 ? 113 PRO B HG3 1 ATOM 5220 H HD2 . PRO B 1 113 ? 2.946 -5.797 38.415 1.00 13.41 ? 113 PRO B HD2 1 ATOM 5221 H HD3 . PRO B 1 113 ? 1.416 -6.279 38.462 1.00 13.41 ? 113 PRO B HD3 1 ATOM 5222 N N . LEU B 1 114 ? 1.407 -0.932 38.528 1.00 7.67 ? 114 LEU B N 1 ATOM 5223 C CA . LEU B 1 114 ? 2.072 0.320 38.840 1.00 7.64 ? 114 LEU B CA 1 ATOM 5224 C C . LEU B 1 114 ? 1.885 0.646 40.315 1.00 7.51 ? 114 LEU B C 1 ATOM 5225 O O . LEU B 1 114 ? 1.100 -0.008 41.020 1.00 8.77 ? 114 LEU B O 1 ATOM 5226 C CB . LEU B 1 114 ? 1.548 1.457 37.966 1.00 7.56 ? 114 LEU B CB 1 ATOM 5227 C CG . LEU B 1 114 ? 1.574 1.291 36.446 1.00 10.66 ? 114 LEU B CG 1 ATOM 5228 C CD1 . LEU B 1 114 ? 1.474 2.639 35.691 1.00 9.59 ? 114 LEU B CD1 1 ATOM 5229 C CD2 . LEU B 1 114 ? 2.709 0.470 35.915 1.00 13.64 ? 114 LEU B CD2 1 ATOM 5230 H H . LEU B 1 114 ? 0.614 -0.822 38.215 1.00 9.19 ? 114 LEU B H 1 ATOM 5231 H HA . LEU B 1 114 ? 3.032 0.223 38.669 1.00 9.16 ? 114 LEU B HA 1 ATOM 5232 H HB2 . LEU B 1 114 ? 0.624 1.618 38.214 1.00 9.06 ? 114 LEU B HB2 1 ATOM 5233 H HB3 . LEU B 1 114 ? 2.070 2.249 38.170 1.00 9.06 ? 114 LEU B HB3 1 ATOM 5234 H HG . LEU B 1 114 ? 0.770 0.803 36.211 1.00 12.78 ? 114 LEU B HG 1 ATOM 5235 H HD11 . LEU B 1 114 ? 1.495 2.469 34.747 1.00 11.50 ? 114 LEU B HD11 1 ATOM 5236 H HD12 . LEU B 1 114 ? 0.649 3.069 35.929 1.00 11.50 ? 114 LEU B HD12 1 ATOM 5237 H HD13 . LEU B 1 114 ? 2.217 3.193 35.942 1.00 11.50 ? 114 LEU B HD13 1 ATOM 5238 H HD21 . LEU B 1 114 ? 2.639 0.423 34.958 1.00 16.36 ? 114 LEU B HD21 1 ATOM 5239 H HD22 . LEU B 1 114 ? 3.538 0.885 36.163 1.00 16.36 ? 114 LEU B HD22 1 ATOM 5240 H HD23 . LEU B 1 114 ? 2.658 -0.413 36.290 1.00 16.36 ? 114 LEU B HD23 1 ATOM 5241 N N . VAL B 1 115 ? 2.599 1.661 40.790 1.00 6.99 ? 115 VAL B N 1 ATOM 5242 C CA . VAL B 1 115 ? 2.445 2.091 42.168 1.00 6.70 ? 115 VAL B CA 1 ATOM 5243 C C . VAL B 1 115 ? 1.009 2.593 42.367 1.00 7.35 ? 115 VAL B C 1 ATOM 5244 O O . VAL B 1 115 ? 0.511 3.415 41.562 1.00 8.77 ? 115 VAL B O 1 ATOM 5245 C CB . VAL B 1 115 ? 3.422 3.184 42.529 1.00 6.16 ? 115 VAL B CB 1 ATOM 5246 C CG1 . VAL B 1 115 ? 3.265 3.642 43.961 1.00 9.48 ? 115 VAL B CG1 1 ATOM 5247 C CG2 . VAL B 1 115 ? 4.863 2.702 42.293 1.00 8.10 ? 115 VAL B CG2 1 ATOM 5248 H H . VAL B 1 115 ? 3.175 2.111 40.337 1.00 8.37 ? 115 VAL B H 1 ATOM 5249 H HA . VAL B 1 115 ? 2.595 1.330 42.768 1.00 8.03 ? 115 VAL B HA 1 ATOM 5250 H HB . VAL B 1 115 ? 3.263 3.956 41.946 1.00 7.38 ? 115 VAL B HB 1 ATOM 5251 H HG11 . VAL B 1 115 ? 3.905 4.335 44.139 1.00 11.37 ? 115 VAL B HG11 1 ATOM 5252 H HG12 . VAL B 1 115 ? 2.375 3.979 44.085 1.00 11.37 ? 115 VAL B HG12 1 ATOM 5253 H HG13 . VAL B 1 115 ? 3.417 2.896 44.545 1.00 11.37 ? 115 VAL B HG13 1 ATOM 5254 H HG21 . VAL B 1 115 ? 5.470 3.408 42.526 1.00 9.71 ? 115 VAL B HG21 1 ATOM 5255 H HG22 . VAL B 1 115 ? 5.028 1.932 42.842 1.00 9.71 ? 115 VAL B HG22 1 ATOM 5256 H HG23 . VAL B 1 115 ? 4.968 2.473 41.366 1.00 9.71 ? 115 VAL B HG23 1 ATOM 5257 N N . LYS B 1 116 ? 0.344 2.131 43.426 1.00 7.74 ? 116 LYS B N 1 ATOM 5258 C CA . LYS B 1 116 ? -0.996 2.612 43.756 1.00 8.28 ? 116 LYS B CA 1 ATOM 5259 C C . LYS B 1 116 ? -0.941 4.077 44.152 1.00 10.38 ? 116 LYS B C 1 ATOM 5260 O O . LYS B 1 116 ? 0.020 4.550 44.764 1.00 9.47 ? 116 LYS B O 1 ATOM 5261 C CB . LYS B 1 116 ? -1.567 1.794 44.904 1.00 9.07 ? 116 LYS B CB 1 ATOM 5262 C CG . LYS B 1 116 ? -2.093 0.439 44.497 1.00 11.35 ? 116 LYS B CG 1 ATOM 5263 C CD . LYS B 1 116 ? -2.375 -0.379 45.791 1.00 14.97 ? 116 LYS B CD 1 ATOM 5264 C CE . LYS B 1 116 ? -3.153 -1.643 45.563 1.00 20.02 ? 116 LYS B CE 1 ATOM 5265 N NZ . LYS B 1 116 ? -2.334 -2.707 44.907 1.00 17.59 ? 116 LYS B NZ 1 ATOM 5266 H H . LYS B 1 116 ? 0.648 1.539 43.970 1.00 9.28 ? 116 LYS B H 1 ATOM 5267 H HA . LYS B 1 116 ? -1.584 2.517 42.978 1.00 9.92 ? 116 LYS B HA 1 ATOM 5268 H HB2 . LYS B 1 116 ? -0.870 1.655 45.563 1.00 10.87 ? 116 LYS B HB2 1 ATOM 5269 H HB3 . LYS B 1 116 ? -2.300 2.288 45.302 1.00 10.87 ? 116 LYS B HB3 1 ATOM 5270 H HG2 . LYS B 1 116 ? -2.921 0.540 44.002 1.00 13.61 ? 116 LYS B HG2 1 ATOM 5271 H HG3 . LYS B 1 116 ? -1.428 -0.029 43.968 1.00 13.61 ? 116 LYS B HG3 1 ATOM 5272 H HD2 . LYS B 1 116 ? -1.528 -0.623 46.196 1.00 17.96 ? 116 LYS B HD2 1 ATOM 5273 H HD3 . LYS B 1 116 ? -2.884 0.174 46.404 1.00 17.96 ? 116 LYS B HD3 1 ATOM 5274 H HE2 . LYS B 1 116 ? -3.461 -1.984 46.418 1.00 24.01 ? 116 LYS B HE2 1 ATOM 5275 H HE3 . LYS B 1 116 ? -3.911 -1.450 44.990 1.00 24.01 ? 116 LYS B HE3 1 ATOM 5276 H HZ1 . LYS B 1 116 ? -2.864 -3.497 44.779 1.00 21.10 ? 116 LYS B HZ1 1 ATOM 5277 H HZ2 . LYS B 1 116 ? -2.020 -2.399 44.053 1.00 21.10 ? 116 LYS B HZ2 1 ATOM 5278 H HZ3 . LYS B 1 116 ? -1.578 -2.924 45.457 1.00 21.10 ? 116 LYS B HZ3 1 ATOM 5279 N N . LYS B 1 117 ? -2.001 4.816 43.811 1.00 8.79 ? 117 LYS B N 1 ATOM 5280 C CA . LYS B 1 117 ? -2.162 6.207 44.246 1.00 8.64 ? 117 LYS B CA 1 ATOM 5281 C C . LYS B 1 117 ? -3.614 6.353 44.716 1.00 8.99 ? 117 LYS B C 1 ATOM 5282 O O . LYS B 1 117 ? -4.396 5.429 44.552 1.00 12.41 ? 117 LYS B O 1 ATOM 5283 C CB . LYS B 1 117 ? -1.897 7.197 43.106 1.00 8.29 ? 117 LYS B CB 1 ATOM 5284 C CG . LYS B 1 117 ? -0.480 7.102 42.496 1.00 9.79 ? 117 LYS B CG 1 ATOM 5285 C CD . LYS B 1 117 ? 0.592 7.547 43.466 1.00 10.34 ? 117 LYS B CD 1 ATOM 5286 C CE . LYS B 1 117 ? 2.013 7.150 42.989 1.00 10.62 ? 117 LYS B CE 1 ATOM 5287 N NZ . LYS B 1 117 ? 2.393 7.804 41.675 1.00 11.38 ? 117 LYS B NZ 1 ATOM 5288 H H . LYS B 1 117 ? -2.648 4.531 43.321 1.00 10.54 ? 117 LYS B H 1 ATOM 5289 H HA . LYS B 1 117 ? -1.558 6.402 44.993 1.00 10.35 ? 117 LYS B HA 1 ATOM 5290 H HB2 . LYS B 1 117 ? -2.536 7.031 42.395 1.00 9.94 ? 117 LYS B HB2 1 ATOM 5291 H HB3 . LYS B 1 117 ? -2.012 8.099 43.445 1.00 9.94 ? 117 LYS B HB3 1 ATOM 5292 H HG2 . LYS B 1 117 ? -0.301 6.181 42.251 1.00 11.74 ? 117 LYS B HG2 1 ATOM 5293 H HG3 . LYS B 1 117 ? -0.432 7.671 41.712 1.00 11.74 ? 117 LYS B HG3 1 ATOM 5294 H HD2 . LYS B 1 117 ? 0.561 8.513 43.553 1.00 12.40 ? 117 LYS B HD2 1 ATOM 5295 H HD3 . LYS B 1 117 ? 0.434 7.129 44.327 1.00 12.40 ? 117 LYS B HD3 1 ATOM 5296 H HE2 . LYS B 1 117 ? 2.659 7.424 43.659 1.00 12.73 ? 117 LYS B HE2 1 ATOM 5297 H HE3 . LYS B 1 117 ? 2.048 6.188 42.867 1.00 12.73 ? 117 LYS B HE3 1 ATOM 5298 H HZ1 . LYS B 1 117 ? 1.774 7.544 40.988 1.00 13.64 ? 117 LYS B HZ1 1 ATOM 5299 H HZ2 . LYS B 1 117 ? 2.374 8.759 41.766 1.00 13.64 ? 117 LYS B HZ2 1 ATOM 5300 H HZ3 . LYS B 1 117 ? 3.277 7.532 41.417 1.00 13.64 ? 117 LYS B HZ3 1 ATOM 5301 N N . GLY B 1 118 ? -3.964 7.451 45.353 1.00 9.46 ? 118 GLY B N 1 ATOM 5302 C CA . GLY B 1 118 ? -5.318 7.578 45.881 1.00 9.73 ? 118 GLY B CA 1 ATOM 5303 C C . GLY B 1 118 ? -5.866 8.970 45.711 1.00 8.81 ? 118 GLY B C 1 ATOM 5304 O O . GLY B 1 118 ? -5.166 9.990 45.814 1.00 12.22 ? 118 GLY B O 1 ATOM 5305 H H . GLY B 1 118 ? -3.454 8.129 45.494 1.00 11.34 ? 118 GLY B H 1 ATOM 5306 H HA2 . GLY B 1 118 ? -5.905 6.957 45.421 1.00 11.67 ? 118 GLY B HA2 1 ATOM 5307 H HA3 . GLY B 1 118 ? -5.318 7.360 46.826 1.00 11.67 ? 118 GLY B HA3 1 ATOM 5308 N N . LEU B 1 119 ? -7.154 8.986 45.433 1.00 8.55 ? 119 LEU B N 1 ATOM 5309 C CA . LEU B 1 119 ? -7.887 10.234 45.210 1.00 8.13 ? 119 LEU B CA 1 ATOM 5310 C C . LEU B 1 119 ? -9.379 10.022 45.439 1.00 9.64 ? 119 LEU B C 1 ATOM 5311 O O . LEU B 1 119 ? -9.934 8.945 45.260 1.00 9.65 ? 119 LEU B O 1 ATOM 5312 C CB . LEU B 1 119 ? -7.656 10.745 43.779 1.00 8.54 ? 119 LEU B CB 1 ATOM 5313 C CG . LEU B 1 119 ? -8.300 10.007 42.613 1.00 8.40 ? 119 LEU B CG 1 ATOM 5314 C CD1 . LEU B 1 119 ? -8.133 10.821 41.292 1.00 10.01 ? 119 LEU B CD1 1 ATOM 5315 C CD2 . LEU B 1 119 ? -7.727 8.562 42.413 1.00 9.79 ? 119 LEU B CD2 1 ATOM 5316 H H . LEU B 1 119 ? -7.642 8.280 45.364 1.00 10.25 ? 119 LEU B H 1 ATOM 5317 H HA . LEU B 1 119 ? -7.570 10.916 45.838 1.00 9.74 ? 119 LEU B HA 1 ATOM 5318 H HB2 . LEU B 1 119 ? -7.975 11.660 43.739 1.00 10.24 ? 119 LEU B HB2 1 ATOM 5319 H HB3 . LEU B 1 119 ? -6.700 10.740 43.617 1.00 10.24 ? 119 LEU B HB3 1 ATOM 5320 H HG . LEU B 1 119 ? -9.250 9.923 42.787 1.00 10.06 ? 119 LEU B HG 1 ATOM 5321 H HD11 . LEU B 1 119 ? -8.546 10.338 40.573 1.00 12.00 ? 119 LEU B HD11 1 ATOM 5322 H HD12 . LEU B 1 119 ? -8.557 11.676 41.397 1.00 12.00 ? 119 LEU B HD12 1 ATOM 5323 H HD13 . LEU B 1 119 ? -7.197 10.939 41.114 1.00 12.00 ? 119 LEU B HD13 1 ATOM 5324 H HD21 . LEU B 1 119 ? -8.170 8.151 41.667 1.00 11.73 ? 119 LEU B HD21 1 ATOM 5325 H HD22 . LEU B 1 119 ? -6.784 8.620 42.243 1.00 11.73 ? 119 LEU B HD22 1 ATOM 5326 H HD23 . LEU B 1 119 ? -7.885 8.051 43.211 1.00 11.73 ? 119 LEU B HD23 1 ATOM 5327 N N . ARG B 1 120 ? -10.042 11.111 45.815 1.00 9.87 ? 120 ARG B N 1 ATOM 5328 C CA . ARG B 1 120 ? -11.488 11.142 45.902 1.00 9.15 ? 120 ARG B CA 1 ATOM 5329 C C . ARG B 1 120 ? -12.116 10.049 46.773 1.00 8.03 ? 120 ARG B C 1 ATOM 5330 O O . ARG B 1 120 ? -13.201 9.533 46.478 1.00 10.48 ? 120 ARG B O 1 ATOM 5331 C CB . ARG B 1 120 ? -12.085 11.147 44.485 1.00 10.45 ? 120 ARG B CB 1 ATOM 5332 C CG . ARG B 1 120 ? -11.928 12.497 43.789 1.00 11.41 ? 120 ARG B CG 1 ATOM 5333 C CD . ARG B 1 120 ? -12.929 13.494 44.415 1.00 13.51 ? 120 ARG B CD 1 ATOM 5334 N NE . ARG B 1 120 ? -13.299 14.565 43.499 1.00 14.39 ? 120 ARG B NE 1 ATOM 5335 C CZ . ARG B 1 120 ? -14.153 15.527 43.828 1.00 14.78 ? 120 ARG B CZ 1 ATOM 5336 N NH1 . ARG B 1 120 ? -14.665 15.578 45.063 1.00 19.73 ? 120 ARG B NH1 1 ATOM 5337 N NH2 . ARG B 1 120 ? -14.485 16.438 42.937 1.00 15.03 ? 120 ARG B NH2 1 ATOM 5338 H H . ARG B 1 120 ? -9.666 11.855 46.027 1.00 11.84 ? 120 ARG B H 1 ATOM 5339 H HA . ARG B 1 120 ? -11.738 11.997 46.311 1.00 10.97 ? 120 ARG B HA 1 ATOM 5340 H HB2 . ARG B 1 120 ? -11.633 10.477 43.949 1.00 12.53 ? 120 ARG B HB2 1 ATOM 5341 H HB3 . ARG B 1 120 ? -13.032 10.945 44.540 1.00 12.53 ? 120 ARG B HB3 1 ATOM 5342 H HG2 . ARG B 1 120 ? -11.028 12.833 43.921 1.00 13.68 ? 120 ARG B HG2 1 ATOM 5343 H HG3 . ARG B 1 120 ? -12.128 12.406 42.844 1.00 13.68 ? 120 ARG B HG3 1 ATOM 5344 H HD2 . ARG B 1 120 ? -13.737 13.019 44.664 1.00 16.20 ? 120 ARG B HD2 1 ATOM 5345 H HD3 . ARG B 1 120 ? -12.525 13.897 45.200 1.00 16.20 ? 120 ARG B HD3 1 ATOM 5346 H HE . ARG B 1 120 ? -12.754 14.692 42.707 1.00 17.25 ? 120 ARG B HE 1 ATOM 5347 H HH11 . ARG B 1 120 ? -14.457 14.974 45.639 1.00 23.66 ? 120 ARG B HH11 1 ATOM 5348 H HH12 . ARG B 1 120 ? -15.211 16.206 45.277 1.00 23.66 ? 120 ARG B HH12 1 ATOM 5349 H HH21 . ARG B 1 120 ? -14.143 16.412 42.148 1.00 18.02 ? 120 ARG B HH21 1 ATOM 5350 H HH22 . ARG B 1 120 ? -15.018 17.077 43.153 1.00 18.02 ? 120 ARG B HH22 1 ATOM 5351 N N . GLN B 1 121 ? -11.462 9.727 47.892 1.00 11.77 ? 121 GLN B N 1 ATOM 5352 C CA . GLN B 1 121 ? -12.019 8.749 48.802 1.00 10.43 ? 121 GLN B CA 1 ATOM 5353 C C . GLN B 1 121 ? -13.429 9.214 49.230 1.00 9.98 ? 121 GLN B C 1 ATOM 5354 O O . GLN B 1 121 ? -13.604 10.372 49.618 1.00 12.82 ? 121 GLN B O 1 ATOM 5355 C CB . GLN B 1 121 ? -11.114 8.617 50.029 1.00 12.40 ? 121 GLN B CB 1 ATOM 5356 C CG . GLN B 1 121 ? -11.617 7.607 51.056 1.00 10.81 ? 121 GLN B CG 1 ATOM 5357 C CD . GLN B 1 121 ? -10.676 7.463 52.242 1.00 12.33 ? 121 GLN B CD 1 ATOM 5358 O OE1 . GLN B 1 121 ? -9.979 8.427 52.640 1.00 17.54 ? 121 GLN B OE1 1 ATOM 5359 N NE2 . GLN B 1 121 ? -10.666 6.274 52.827 1.00 14.48 ? 121 GLN B NE2 1 ATOM 5360 H H . GLN B 1 121 ? -10.707 10.060 48.136 1.00 14.11 ? 121 GLN B H 1 ATOM 5361 H HA . GLN B 1 121 ? -12.089 7.878 48.359 1.00 12.51 ? 121 GLN B HA 1 ATOM 5362 H HB2 . GLN B 1 121 ? -10.234 8.333 49.739 1.00 14.87 ? 121 GLN B HB2 1 ATOM 5363 H HB3 . GLN B 1 121 ? -11.053 9.481 50.467 1.00 14.87 ? 121 GLN B HB3 1 ATOM 5364 H HG2 . GLN B 1 121 ? -12.480 7.898 51.391 1.00 12.96 ? 121 GLN B HG2 1 ATOM 5365 H HG3 . GLN B 1 121 ? -11.701 6.739 50.632 1.00 12.96 ? 121 GLN B HG3 1 ATOM 5366 H HE21 . GLN B 1 121 ? -10.153 6.132 53.503 1.00 17.37 ? 121 GLN B HE21 1 ATOM 5367 H HE22 . GLN B 1 121 ? -11.171 5.645 52.531 1.00 17.37 ? 121 GLN B HE22 1 ATOM 5368 N N . GLY B 1 122 ? -14.372 8.299 49.094 1.00 10.18 ? 122 GLY B N 1 ATOM 5369 C CA . GLY B 1 122 ? -15.778 8.531 49.462 1.00 11.07 ? 122 GLY B CA 1 ATOM 5370 C C . GLY B 1 122 ? -16.656 9.133 48.402 1.00 13.27 ? 122 GLY B C 1 ATOM 5371 O O . GLY B 1 122 ? -17.864 9.242 48.606 1.00 14.93 ? 122 GLY B O 1 ATOM 5372 H H . GLY B 1 122 ? -14.229 7.511 48.783 1.00 12.20 ? 122 GLY B H 1 ATOM 5373 H HA2 . GLY B 1 122 ? -16.173 7.684 49.723 1.00 13.27 ? 122 GLY B HA2 1 ATOM 5374 H HA3 . GLY B 1 122 ? -15.803 9.119 50.233 1.00 13.27 ? 122 GLY B HA3 1 ATOM 5375 N N . TYR B 1 123 ? -16.068 9.540 47.275 1.00 10.72 ? 123 TYR B N 1 ATOM 5376 C CA . TYR B 1 123 ? -16.798 10.118 46.166 1.00 9.58 ? 123 TYR B CA 1 ATOM 5377 C C . TYR B 1 123 ? -17.501 9.032 45.371 1.00 11.34 ? 123 TYR B C 1 ATOM 5378 O O . TYR B 1 123 ? -17.079 7.861 45.357 1.00 12.44 ? 123 TYR B O 1 ATOM 5379 C CB . TYR B 1 123 ? -15.776 10.841 45.280 1.00 10.49 ? 123 TYR B CB 1 ATOM 5380 C CG . TYR B 1 123 ? -16.341 11.587 44.095 1.00 9.89 ? 123 TYR B CG 1 ATOM 5381 C CD1 . TYR B 1 123 ? -17.056 12.777 44.281 1.00 11.24 ? 123 TYR B CD1 1 ATOM 5382 C CD2 . TYR B 1 123 ? -16.163 11.137 42.796 1.00 8.80 ? 123 TYR B CD2 1 ATOM 5383 C CE1 . TYR B 1 123 ? -17.556 13.473 43.217 1.00 12.72 ? 123 TYR B CE1 1 ATOM 5384 C CE2 . TYR B 1 123 ? -16.674 11.836 41.708 1.00 10.44 ? 123 TYR B CE2 1 ATOM 5385 C CZ . TYR B 1 123 ? -17.392 12.995 41.928 1.00 12.42 ? 123 TYR B CZ 1 ATOM 5386 O OH . TYR B 1 123 ? -17.963 13.718 40.910 1.00 13.24 ? 123 TYR B OH 1 ATOM 5387 H H . TYR B 1 123 ? -15.221 9.487 47.134 1.00 12.85 ? 123 TYR B H 1 ATOM 5388 H HA . TYR B 1 123 ? -17.460 10.763 46.492 1.00 11.48 ? 123 TYR B HA 1 ATOM 5389 H HB2 . TYR B 1 123 ? -15.299 11.484 45.827 1.00 12.57 ? 123 TYR B HB2 1 ATOM 5390 H HB3 . TYR B 1 123 ? -15.151 10.183 44.937 1.00 12.57 ? 123 TYR B HB3 1 ATOM 5391 H HD1 . TYR B 1 123 ? -17.184 13.104 45.142 1.00 13.48 ? 123 TYR B HD1 1 ATOM 5392 H HD2 . TYR B 1 123 ? -15.689 10.351 42.648 1.00 10.55 ? 123 TYR B HD2 1 ATOM 5393 H HE1 . TYR B 1 123 ? -18.049 14.248 43.363 1.00 15.25 ? 123 TYR B HE1 1 ATOM 5394 H HE2 . TYR B 1 123 ? -16.565 11.508 40.844 1.00 12.51 ? 123 TYR B HE2 1 ATOM 5395 H HH . TYR B 1 123 ? -18.506 13.254 40.507 1.00 15.88 ? 123 TYR B HH 1 ATOM 5396 N N . PHE B 1 124 ? -18.568 9.416 44.673 1.00 12.67 ? 124 PHE B N 1 ATOM 5397 C CA . PHE B 1 124 ? -19.226 8.528 43.733 1.00 12.19 ? 124 PHE B CA 1 ATOM 5398 C C . PHE B 1 124 ? -19.111 9.156 42.343 1.00 12.42 ? 124 PHE B C 1 ATOM 5399 O O . PHE B 1 124 ? -19.495 10.294 42.130 1.00 12.03 ? 124 PHE B O 1 ATOM 5400 C CB . PHE B 1 124 ? -20.722 8.346 44.063 1.00 16.06 ? 124 PHE B CB 1 ATOM 5401 C CG . PHE B 1 124 ? -21.010 7.518 45.301 1.00 20.35 ? 124 PHE B CG 1 ATOM 5402 C CD1 . PHE B 1 124 ? -20.095 7.390 46.328 1.00 33.17 ? 124 PHE B CD1 1 ATOM 5403 C CD2 . PHE B 1 124 ? -22.235 6.878 45.418 1.00 28.76 ? 124 PHE B CD2 1 ATOM 5404 C CE1 . PHE B 1 124 ? -20.393 6.634 47.454 1.00 36.14 ? 124 PHE B CE1 1 ATOM 5405 C CE2 . PHE B 1 124 ? -22.536 6.117 46.533 1.00 28.29 ? 124 PHE B CE2 1 ATOM 5406 C CZ . PHE B 1 124 ? -21.611 5.996 47.554 1.00 29.69 ? 124 PHE B CZ 1 ATOM 5407 H H . PHE B 1 124 ? -18.929 10.195 44.729 1.00 15.20 ? 124 PHE B H 1 ATOM 5408 H HA . PHE B 1 124 ? -18.787 7.652 43.730 1.00 14.62 ? 124 PHE B HA 1 ATOM 5409 H HB2 . PHE B 1 124 ? -21.116 9.221 44.198 1.00 19.26 ? 124 PHE B HB2 1 ATOM 5410 H HB3 . PHE B 1 124 ? -21.152 7.908 43.312 1.00 19.26 ? 124 PHE B HB3 1 ATOM 5411 H HD1 . PHE B 1 124 ? -19.272 7.818 46.266 1.00 39.80 ? 124 PHE B HD1 1 ATOM 5412 H HD2 . PHE B 1 124 ? -22.860 6.956 44.734 1.00 34.49 ? 124 PHE B HD2 1 ATOM 5413 H HE1 . PHE B 1 124 ? -19.768 6.551 48.138 1.00 43.36 ? 124 PHE B HE1 1 ATOM 5414 H HE2 . PHE B 1 124 ? -23.360 5.691 46.598 1.00 33.93 ? 124 PHE B HE2 1 ATOM 5415 H HZ . PHE B 1 124 ? -21.811 5.487 48.306 1.00 35.61 ? 124 PHE B HZ 1 ATOM 5416 N N . VAL B 1 125 ? -18.548 8.407 41.401 1.00 11.58 ? 125 VAL B N 1 ATOM 5417 C CA . VAL B 1 125 ? -18.530 8.847 40.013 1.00 10.70 ? 125 VAL B CA 1 ATOM 5418 C C . VAL B 1 125 ? -19.955 8.962 39.497 1.00 11.42 ? 125 VAL B C 1 ATOM 5419 O O . VAL B 1 125 ? -20.748 8.040 39.654 1.00 10.58 ? 125 VAL B O 1 ATOM 5420 C CB . VAL B 1 125 ? -17.706 7.871 39.157 1.00 10.50 ? 125 VAL B CB 1 ATOM 5421 C CG1 . VAL B 1 125 ? -17.785 8.203 37.700 1.00 10.61 ? 125 VAL B CG1 1 ATOM 5422 C CG2 . VAL B 1 125 ? -16.240 7.934 39.569 1.00 12.40 ? 125 VAL B CG2 1 ATOM 5423 H H . VAL B 1 125 ? -18.173 7.645 41.539 1.00 13.88 ? 125 VAL B H 1 ATOM 5424 H HA . VAL B 1 125 ? -18.111 9.732 39.959 1.00 12.82 ? 125 VAL B HA 1 ATOM 5425 H HB . VAL B 1 125 ? -18.031 6.957 39.290 1.00 12.58 ? 125 VAL B HB 1 ATOM 5426 H HG11 . VAL B 1 125 ? -17.258 7.570 37.207 1.00 12.72 ? 125 VAL B HG11 1 ATOM 5427 H HG12 . VAL B 1 125 ? -18.702 8.156 37.419 1.00 12.72 ? 125 VAL B HG12 1 ATOM 5428 H HG13 . VAL B 1 125 ? -17.445 9.090 37.564 1.00 12.72 ? 125 VAL B HG13 1 ATOM 5429 H HG21 . VAL B 1 125 ? -15.737 7.321 39.028 1.00 14.87 ? 125 VAL B HG21 1 ATOM 5430 H HG22 . VAL B 1 125 ? -15.917 8.829 39.438 1.00 14.87 ? 125 VAL B HG22 1 ATOM 5431 H HG23 . VAL B 1 125 ? -16.166 7.691 40.495 1.00 14.87 ? 125 VAL B HG23 1 ATOM 5432 N N . GLU B 1 126 ? -20.295 10.099 38.908 1.00 9.70 ? 126 GLU B N 1 ATOM 5433 C CA . GLU B 1 126 ? -21.676 10.356 38.540 1.00 10.30 ? 126 GLU B CA 1 ATOM 5434 C C . GLU B 1 126 ? -22.171 9.447 37.447 1.00 10.54 ? 126 GLU B C 1 ATOM 5435 O O . GLU B 1 126 ? -21.410 9.016 36.547 1.00 9.69 ? 126 GLU B O 1 ATOM 5436 C CB . GLU B 1 126 ? -21.826 11.803 38.096 1.00 12.52 ? 126 GLU B CB 1 ATOM 5437 C CG . GLU B 1 126 ? -21.662 12.763 39.234 1.00 14.81 ? 126 GLU B CG 1 ATOM 5438 C CD . GLU B 1 126 ? -22.088 14.142 38.885 1.00 29.19 ? 126 GLU B CD 1 ATOM 5439 O OE1 . GLU B 1 126 ? -22.284 14.945 39.820 1.00 26.67 ? 126 GLU B OE1 1 ATOM 5440 O OE2 . GLU B 1 126 ? -22.221 14.430 37.675 1.00 27.20 ? 126 GLU B OE2 1 ATOM 5441 H H . GLU B 1 126 ? -19.749 10.733 38.712 1.00 11.63 ? 126 GLU B H 1 ATOM 5442 H HA . GLU B 1 126 ? -22.244 10.221 39.327 1.00 12.35 ? 126 GLU B HA 1 ATOM 5443 H HB2 . GLU B 1 126 ? -21.148 12.004 37.432 1.00 15.01 ? 126 GLU B HB2 1 ATOM 5444 H HB3 . GLU B 1 126 ? -22.711 11.930 37.719 1.00 15.01 ? 126 GLU B HB3 1 ATOM 5445 H HG2 . GLU B 1 126 ? -22.201 12.462 39.982 1.00 17.76 ? 126 GLU B HG2 1 ATOM 5446 H HG3 . GLU B 1 126 ? -20.727 12.793 39.490 1.00 17.76 ? 126 GLU B HG3 1 ATOM 5447 N N . ALA B 1 127 ? -23.469 9.175 37.503 1.00 11.86 ? 127 ALA B N 1 ATOM 5448 C CA . ALA B 1 127 ? -24.151 8.376 36.508 1.00 12.59 ? 127 ALA B CA 1 ATOM 5449 C C . ALA B 1 127 ? -24.461 9.156 35.225 1.00 10.93 ? 127 ALA B C 1 ATOM 5450 O O . ALA B 1 127 ? -24.310 10.388 35.164 1.00 11.18 ? 127 ALA B O 1 ATOM 5451 C CB . ALA B 1 127 ? -25.477 7.874 37.118 1.00 11.95 ? 127 ALA B CB 1 ATOM 5452 H H . ALA B 1 127 ? -23.987 9.454 38.130 1.00 14.22 ? 127 ALA B H 1 ATOM 5453 H HA . ALA B 1 127 ? -23.600 7.599 36.276 1.00 15.09 ? 127 ALA B HA 1 ATOM 5454 H HB1 . ALA B 1 127 ? -25.939 7.342 36.466 1.00 14.33 ? 127 ALA B HB1 1 ATOM 5455 H HB2 . ALA B 1 127 ? -25.282 7.345 37.895 1.00 14.33 ? 127 ALA B HB2 1 ATOM 5456 H HB3 . ALA B 1 127 ? -26.014 8.631 37.363 1.00 14.33 ? 127 ALA B HB3 1 ATOM 5457 N N . GLN B 1 128 ? -24.941 8.427 34.219 1.00 10.79 ? 128 GLN B N 1 ATOM 5458 C CA . GLN B 1 128 ? -25.390 9.010 32.944 1.00 11.26 ? 128 GLN B CA 1 ATOM 5459 C C . GLN B 1 128 ? -24.291 9.737 32.198 1.00 10.13 ? 128 GLN B C 1 ATOM 5460 O O . GLN B 1 128 ? -24.393 10.896 31.855 1.00 10.59 ? 128 GLN B O 1 ATOM 5461 C CB . GLN B 1 128 ? -26.599 9.918 33.152 1.00 11.37 ? 128 GLN B CB 1 ATOM 5462 C CG . GLN B 1 128 ? -27.824 9.162 33.671 1.00 13.51 ? 128 GLN B CG 1 ATOM 5463 C CD . GLN B 1 128 ? -28.986 10.084 33.957 1.00 23.58 ? 128 GLN B CD 1 ATOM 5464 O OE1 . GLN B 1 128 ? -29.461 10.181 35.092 1.00 38.58 ? 128 GLN B OE1 1 ATOM 5465 N NE2 . GLN B 1 128 ? -29.428 10.769 32.951 1.00 26.99 ? 128 GLN B NE2 1 ATOM 5466 H H . GLN B 1 128 ? -25.019 7.571 34.247 1.00 12.93 ? 128 GLN B H 1 ATOM 5467 H HA . GLN B 1 128 ? -25.684 8.274 32.367 1.00 13.49 ? 128 GLN B HA 1 ATOM 5468 H HB2 . GLN B 1 128 ? -26.372 10.603 33.799 1.00 13.63 ? 128 GLN B HB2 1 ATOM 5469 H HB3 . GLN B 1 128 ? -26.836 10.327 32.305 1.00 13.63 ? 128 GLN B HB3 1 ATOM 5470 H HG2 . GLN B 1 128 ? -28.107 8.518 33.003 1.00 16.20 ? 128 GLN B HG2 1 ATOM 5471 H HG3 . GLN B 1 128 ? -27.590 8.706 34.495 1.00 16.20 ? 128 GLN B HG3 1 ATOM 5472 H HE21 . GLN B 1 128 ? -30.088 11.311 33.056 1.00 32.37 ? 128 GLN B HE21 1 ATOM 5473 H HE22 . GLN B 1 128 ? -29.061 10.683 32.178 1.00 32.37 ? 128 GLN B HE22 1 ATOM 5474 N N . PRO B 1 129 ? -23.212 9.001 31.904 1.00 9.95 ? 129 PRO B N 1 ATOM 5475 C CA . PRO B 1 129 ? -22.112 9.627 31.176 1.00 9.81 ? 129 PRO B CA 1 ATOM 5476 C C . PRO B 1 129 ? -22.340 9.679 29.686 1.00 10.40 ? 129 PRO B C 1 ATOM 5477 O O . PRO B 1 129 ? -23.187 8.956 29.116 1.00 11.50 ? 129 PRO B O 1 ATOM 5478 C CB . PRO B 1 129 ? -20.974 8.636 31.423 1.00 9.83 ? 129 PRO B CB 1 ATOM 5479 C CG . PRO B 1 129 ? -21.665 7.343 31.403 1.00 11.60 ? 129 PRO B CG 1 ATOM 5480 C CD . PRO B 1 129 ? -22.877 7.636 32.305 1.00 11.03 ? 129 PRO B CD 1 ATOM 5481 H HA . PRO B 1 129 ? -21.889 10.512 31.533 1.00 11.76 ? 129 PRO B HA 1 ATOM 5482 H HB2 . PRO B 1 129 ? -20.319 8.695 30.710 1.00 11.78 ? 129 PRO B HB2 1 ATOM 5483 H HB3 . PRO B 1 129 ? -20.568 8.803 32.288 1.00 11.78 ? 129 PRO B HB3 1 ATOM 5484 H HG2 . PRO B 1 129 ? -21.942 7.123 30.500 1.00 13.90 ? 129 PRO B HG2 1 ATOM 5485 H HG3 . PRO B 1 129 ? -21.100 6.652 31.782 1.00 13.90 ? 129 PRO B HG3 1 ATOM 5486 H HD2 . PRO B 1 129 ? -23.607 7.030 32.108 1.00 13.23 ? 129 PRO B HD2 1 ATOM 5487 H HD3 . PRO B 1 129 ? -22.623 7.606 33.241 1.00 13.23 ? 129 PRO B HD3 1 ATOM 5488 N N . LYS B 1 130 ? -21.575 10.550 29.046 1.00 8.68 ? 130 LYS B N 1 ATOM 5489 C CA . LYS B 1 130 ? -21.172 10.352 27.666 1.00 7.20 ? 130 LYS B CA 1 ATOM 5490 C C . LYS B 1 130 ? -19.731 9.833 27.730 1.00 7.71 ? 130 LYS B C 1 ATOM 5491 O O . LYS B 1 130 ? -18.866 10.436 28.386 1.00 7.30 ? 130 LYS B O 1 ATOM 5492 C CB . LYS B 1 130 ? -21.242 11.619 26.838 1.00 8.99 ? 130 LYS B CB 1 ATOM 5493 C CG . LYS B 1 130 ? -22.664 12.154 26.659 1.00 14.71 ? 130 LYS B CG 1 ATOM 5494 C CD . LYS B 1 130 ? -23.454 11.222 25.816 1.00 22.47 ? 130 LYS B CD 1 ATOM 5495 C CE . LYS B 1 130 ? -24.893 11.699 25.612 1.00 35.89 ? 130 LYS B CE 1 ATOM 5496 N NZ . LYS B 1 130 ? -24.882 13.074 25.131 1.00 34.79 ? 130 LYS B NZ 1 ATOM 5497 H H . LYS B 1 130 ? -21.273 11.275 29.395 1.00 10.40 ? 130 LYS B H 1 ATOM 5498 H HA . LYS B 1 130 ? -21.737 9.668 27.249 1.00 8.63 ? 130 LYS B HA 1 ATOM 5499 H HB2 . LYS B 1 130 ? -20.718 12.308 27.276 1.00 10.78 ? 130 LYS B HB2 1 ATOM 5500 H HB3 . LYS B 1 130 ? -20.879 11.439 25.957 1.00 10.78 ? 130 LYS B HB3 1 ATOM 5501 H HG2 . LYS B 1 130 ? -23.095 12.228 27.525 1.00 17.64 ? 130 LYS B HG2 1 ATOM 5502 H HG3 . LYS B 1 130 ? -22.633 13.018 26.219 1.00 17.64 ? 130 LYS B HG3 1 ATOM 5503 H HD2 . LYS B 1 130 ? -23.034 11.149 24.944 1.00 26.95 ? 130 LYS B HD2 1 ATOM 5504 H HD3 . LYS B 1 130 ? -23.483 10.352 26.245 1.00 26.95 ? 130 LYS B HD3 1 ATOM 5505 H HE2 . LYS B 1 130 ? -25.331 11.142 24.950 1.00 43.06 ? 130 LYS B HE2 1 ATOM 5506 H HE3 . LYS B 1 130 ? -25.370 11.669 26.456 1.00 43.06 ? 130 LYS B HE3 1 ATOM 5507 H HZ1 . LYS B 1 130 ? -25.782 13.383 25.000 1.00 41.74 ? 130 LYS B HZ1 1 ATOM 5508 H HZ2 . LYS B 1 130 ? -24.447 13.642 25.771 1.00 41.74 ? 130 LYS B HZ2 1 ATOM 5509 H HZ3 . LYS B 1 130 ? -24.410 13.126 24.296 1.00 41.74 ? 130 LYS B HZ3 1 ATOM 5510 N N . ILE B 1 131 ? -19.494 8.719 27.031 1.00 8.37 ? 131 ILE B N 1 ATOM 5511 C CA . ILE B 1 131 ? -18.209 8.054 27.049 1.00 7.10 ? 131 ILE B CA 1 ATOM 5512 C C . ILE B 1 131 ? -17.669 8.101 25.628 1.00 6.61 ? 131 ILE B C 1 ATOM 5513 O O . ILE B 1 131 ? -18.325 7.643 24.673 1.00 8.84 ? 131 ILE B O 1 ATOM 5514 C CB . ILE B 1 131 ? -18.356 6.592 27.489 1.00 6.42 ? 131 ILE B CB 1 ATOM 5515 C CG1 . ILE B 1 131 ? -18.981 6.542 28.870 1.00 9.88 ? 131 ILE B CG1 1 ATOM 5516 C CG2 . ILE B 1 131 ? -16.992 5.897 27.470 1.00 7.95 ? 131 ILE B CG2 1 ATOM 5517 C CD1 . ILE B 1 131 ? -19.195 5.111 29.391 1.00 10.57 ? 131 ILE B CD1 1 ATOM 5518 H H . ILE B 1 131 ? -20.078 8.330 26.534 1.00 10.03 ? 131 ILE B H 1 ATOM 5519 H HA . ILE B 1 131 ? -17.589 8.517 27.650 1.00 8.51 ? 131 ILE B HA 1 ATOM 5520 H HB . ILE B 1 131 ? -18.945 6.138 26.866 1.00 7.69 ? 131 ILE B HB 1 ATOM 5521 H HG12 . ILE B 1 131 ? -18.398 7.002 29.495 1.00 11.85 ? 131 ILE B HG12 1 ATOM 5522 H HG13 . ILE B 1 131 ? -19.845 6.981 28.840 1.00 11.85 ? 131 ILE B HG13 1 ATOM 5523 H HG21 . ILE B 1 131 ? -17.102 4.985 27.747 1.00 9.53 ? 131 ILE B HG21 1 ATOM 5524 H HG22 . ILE B 1 131 ? -16.639 5.928 26.577 1.00 9.53 ? 131 ILE B HG22 1 ATOM 5525 H HG23 . ILE B 1 131 ? -16.400 6.354 28.072 1.00 9.53 ? 131 ILE B HG23 1 ATOM 5526 H HD11 . ILE B 1 131 ? -19.592 5.153 30.264 1.00 12.67 ? 131 ILE B HD11 1 ATOM 5527 H HD12 . ILE B 1 131 ? -19.779 4.644 28.788 1.00 12.67 ? 131 ILE B HD12 1 ATOM 5528 H HD13 . ILE B 1 131 ? -18.347 4.665 29.437 1.00 12.67 ? 131 ILE B HD13 1 ATOM 5529 N N . VAL B 1 132 ? -16.466 8.645 25.485 1.00 7.05 ? 132 VAL B N 1 ATOM 5530 C CA . VAL B 1 132 ? -15.881 8.870 24.165 1.00 6.64 ? 132 VAL B CA 1 ATOM 5531 C C . VAL B 1 132 ? -14.472 8.281 24.087 1.00 6.47 ? 132 VAL B C 1 ATOM 5532 O O . VAL B 1 132 ? -13.635 8.482 24.988 1.00 7.01 ? 132 VAL B O 1 ATOM 5533 C CB . VAL B 1 132 ? -15.799 10.389 23.883 1.00 6.39 ? 132 VAL B CB 1 ATOM 5534 C CG1 . VAL B 1 132 ? -15.013 10.716 22.622 1.00 7.39 ? 132 VAL B CG1 1 ATOM 5535 C CG2 . VAL B 1 132 ? -17.235 10.979 23.787 1.00 8.58 ? 132 VAL B CG2 1 ATOM 5536 H H . VAL B 1 132 ? -15.965 8.894 26.138 1.00 8.45 ? 132 VAL B H 1 ATOM 5537 H HA . VAL B 1 132 ? -16.439 8.449 23.478 1.00 7.96 ? 132 VAL B HA 1 ATOM 5538 H HB . VAL B 1 132 ? -15.348 10.824 24.637 1.00 7.66 ? 132 VAL B HB 1 ATOM 5539 H HG11 . VAL B 1 132 ? -14.998 11.669 22.502 1.00 8.86 ? 132 VAL B HG11 1 ATOM 5540 H HG12 . VAL B 1 132 ? -14.117 10.384 22.718 1.00 8.86 ? 132 VAL B HG12 1 ATOM 5541 H HG13 . VAL B 1 132 ? -15.439 10.298 21.871 1.00 8.86 ? 132 VAL B HG13 1 ATOM 5542 H HG21 . VAL B 1 132 ? -17.174 11.921 23.612 1.00 10.28 ? 132 VAL B HG21 1 ATOM 5543 H HG22 . VAL B 1 132 ? -17.704 10.543 23.072 1.00 10.28 ? 132 VAL B HG22 1 ATOM 5544 H HG23 . VAL B 1 132 ? -17.691 10.829 24.618 1.00 10.28 ? 132 VAL B HG23 1 ATOM 5545 N N . LEU B 1 133 ? -14.232 7.594 22.978 1.00 6.69 ? 133 LEU B N 1 ATOM 5546 C CA . LEU B 1 133 ? -12.888 7.218 22.515 1.00 6.43 ? 133 LEU B CA 1 ATOM 5547 C C . LEU B 1 133 ? -12.486 8.106 21.358 1.00 6.60 ? 133 LEU B C 1 ATOM 5548 O O . LEU B 1 133 ? -13.331 8.454 20.504 1.00 7.62 ? 133 LEU B O 1 ATOM 5549 C CB . LEU B 1 133 ? -12.840 5.769 22.007 1.00 7.35 ? 133 LEU B CB 1 ATOM 5550 C CG . LEU B 1 133 ? -13.287 4.675 22.975 1.00 6.59 ? 133 LEU B CG 1 ATOM 5551 C CD1 . LEU B 1 133 ? -13.142 3.337 22.268 1.00 8.76 ? 133 LEU B CD1 1 ATOM 5552 C CD2 . LEU B 1 133 ? -12.427 4.698 24.212 1.00 8.34 ? 133 LEU B CD2 1 ATOM 5553 H H . LEU B 1 133 ? -14.854 7.320 22.451 1.00 8.01 ? 133 LEU B H 1 ATOM 5554 H HA . LEU B 1 133 ? -12.239 7.325 23.242 1.00 7.71 ? 133 LEU B HA 1 ATOM 5555 H HB2 . LEU B 1 133 ? -13.409 5.707 21.223 1.00 8.80 ? 133 LEU B HB2 1 ATOM 5556 H HB3 . LEU B 1 133 ? -11.926 5.570 21.753 1.00 8.80 ? 133 LEU B HB3 1 ATOM 5557 H HG . LEU B 1 133 ? -14.215 4.806 23.226 1.00 7.89 ? 133 LEU B HG 1 ATOM 5558 H HD11 . LEU B 1 133 ? -13.420 2.637 22.864 1.00 10.50 ? 133 LEU B HD11 1 ATOM 5559 H HD12 . LEU B 1 133 ? -13.695 3.337 21.483 1.00 10.50 ? 133 LEU B HD12 1 ATOM 5560 H HD13 . LEU B 1 133 ? -12.223 3.212 22.021 1.00 10.50 ? 133 LEU B HD13 1 ATOM 5561 H HD21 . LEU B 1 133 ? -12.720 4.005 24.809 1.00 10.00 ? 133 LEU B HD21 1 ATOM 5562 H HD22 . LEU B 1 133 ? -11.513 4.548 23.960 1.00 10.00 ? 133 LEU B HD22 1 ATOM 5563 H HD23 . LEU B 1 133 ? -12.513 5.555 24.636 1.00 10.00 ? 133 LEU B HD23 1 ATOM 5564 N N . GLY B 1 134 ? -11.211 8.494 21.317 1.00 6.58 ? 134 GLY B N 1 ATOM 5565 C CA . GLY B 1 134 ? -10.703 9.241 20.182 1.00 7.79 ? 134 GLY B CA 1 ATOM 5566 C C . GLY B 1 134 ? -10.485 10.715 20.446 1.00 6.97 ? 134 GLY B C 1 ATOM 5567 O O . GLY B 1 134 ? -9.708 11.350 19.768 1.00 7.42 ? 134 GLY B O 1 ATOM 5568 H H . GLY B 1 134 ? -10.630 8.336 21.930 1.00 7.88 ? 134 GLY B H 1 ATOM 5569 H HA2 . GLY B 1 134 ? -9.856 8.857 19.904 1.00 9.34 ? 134 GLY B HA2 1 ATOM 5570 H HA3 . GLY B 1 134 ? -11.327 9.158 19.444 1.00 9.34 ? 134 GLY B HA3 1 ATOM 5571 N N . GLN B 1 135 ? -11.240 11.251 21.395 1.00 6.79 ? 135 GLN B N 1 ATOM 5572 C CA . GLN B 1 135 ? -11.187 12.671 21.761 1.00 6.88 ? 135 GLN B CA 1 ATOM 5573 C C . GLN B 1 135 ? -11.360 12.836 23.263 1.00 6.10 ? 135 GLN B C 1 ATOM 5574 O O . GLN B 1 135 ? -11.914 11.951 23.936 1.00 7.75 ? 135 GLN B O 1 ATOM 5575 C CB . GLN B 1 135 ? -12.273 13.494 21.053 1.00 6.85 ? 135 GLN B CB 1 ATOM 5576 C CG . GLN B 1 135 ? -12.288 13.406 19.541 1.00 6.86 ? 135 GLN B CG 1 ATOM 5577 C CD . GLN B 1 135 ? -11.152 14.140 18.879 1.00 7.95 ? 135 GLN B CD 1 ATOM 5578 O OE1 . GLN B 1 135 ? -10.550 15.051 19.441 1.00 9.74 ? 135 GLN B OE1 1 ATOM 5579 N NE2 . GLN B 1 135 ? -10.845 13.744 17.646 1.00 7.67 ? 135 GLN B NE2 1 ATOM 5580 H H . GLN B 1 135 ? -11.810 10.803 21.858 1.00 8.13 ? 135 GLN B H 1 ATOM 5581 H HA . GLN B 1 135 ? -10.312 13.037 21.510 1.00 8.24 ? 135 GLN B HA 1 ATOM 5582 H HB2 . GLN B 1 135 ? -13.139 13.193 21.369 1.00 8.21 ? 135 GLN B HB2 1 ATOM 5583 H HB3 . GLN B 1 135 ? -12.151 14.428 21.287 1.00 8.21 ? 135 GLN B HB3 1 ATOM 5584 H HG2 . GLN B 1 135 ? -12.230 12.473 19.282 1.00 8.21 ? 135 GLN B HG2 1 ATOM 5585 H HG3 . GLN B 1 135 ? -13.118 13.787 19.214 1.00 8.21 ? 135 GLN B HG3 1 ATOM 5586 H HE21 . GLN B 1 135 ? -10.205 14.127 17.219 1.00 9.20 ? 135 GLN B HE21 1 ATOM 5587 H HE22 . GLN B 1 135 ? -11.287 13.106 17.277 1.00 9.20 ? 135 GLN B HE22 1 ATOM 5588 N N . GLU B 1 136 ? -10.869 13.955 23.780 1.00 6.40 ? 136 GLU B N 1 ATOM 5589 C CA . GLU B 1 136 ? -11.030 14.341 25.173 1.00 5.28 ? 136 GLU B CA 1 ATOM 5590 C C . GLU B 1 136 ? -12.215 15.314 25.213 1.00 7.67 ? 136 GLU B C 1 ATOM 5591 O O . GLU B 1 136 ? -12.201 16.317 24.516 1.00 8.41 ? 136 GLU B O 1 ATOM 5592 C CB . GLU B 1 136 ? -9.755 15.040 25.668 1.00 6.56 ? 136 GLU B CB 1 ATOM 5593 C CG . GLU B 1 136 ? -9.553 14.985 27.168 1.00 8.38 ? 136 GLU B CG 1 ATOM 5594 C CD . GLU B 1 136 ? -10.405 15.956 27.936 1.00 8.49 ? 136 GLU B CD 1 ATOM 5595 O OE1 . GLU B 1 136 ? -10.422 17.139 27.566 1.00 8.90 ? 136 GLU B OE1 1 ATOM 5596 O OE2 . GLU B 1 136 ? -11.011 15.547 28.949 1.00 8.70 ? 136 GLU B OE2 1 ATOM 5597 H H . GLU B 1 136 ? -10.421 14.529 23.323 1.00 7.67 ? 136 GLU B H 1 ATOM 5598 H HA . GLU B 1 136 ? -11.221 13.560 25.732 1.00 6.32 ? 136 GLU B HA 1 ATOM 5599 H HB2 . GLU B 1 136 ? -8.988 14.618 25.251 1.00 7.86 ? 136 GLU B HB2 1 ATOM 5600 H HB3 . GLU B 1 136 ? -9.793 15.975 25.410 1.00 7.86 ? 136 GLU B HB3 1 ATOM 5601 H HG2 . GLU B 1 136 ? -9.768 14.092 27.479 1.00 10.04 ? 136 GLU B HG2 1 ATOM 5602 H HG3 . GLU B 1 136 ? -8.624 15.186 27.365 1.00 10.04 ? 136 GLU B HG3 1 ATOM 5603 N N . GLN B 1 137 ? -13.247 14.993 25.985 1.00 6.52 ? 137 GLN B N 1 ATOM 5604 C CA . GLN B 1 137 ? -14.409 15.902 26.126 1.00 6.69 ? 137 GLN B CA 1 ATOM 5605 C C . GLN B 1 137 ? -14.113 17.044 27.069 1.00 8.51 ? 137 GLN B C 1 ATOM 5606 O O . GLN B 1 137 ? -13.538 16.827 28.111 1.00 7.21 ? 137 GLN B O 1 ATOM 5607 C CB . GLN B 1 137 ? -15.584 15.148 26.708 1.00 6.70 ? 137 GLN B CB 1 ATOM 5608 C CG . GLN B 1 137 ? -16.153 14.123 25.808 1.00 9.38 ? 137 GLN B CG 1 ATOM 5609 C CD . GLN B 1 137 ? -17.178 13.296 26.537 1.00 9.82 ? 137 GLN B CD 1 ATOM 5610 O OE1 . GLN B 1 137 ? -18.373 13.632 26.561 1.00 9.60 ? 137 GLN B OE1 1 ATOM 5611 N NE2 . GLN B 1 137 ? -16.748 12.238 27.147 1.00 8.28 ? 137 GLN B NE2 1 ATOM 5612 H H . GLN B 1 137 ? -13.310 14.265 26.438 1.00 7.81 ? 137 GLN B H 1 ATOM 5613 H HA . GLN B 1 137 ? -14.662 16.265 25.252 1.00 8.02 ? 137 GLN B HA 1 ATOM 5614 H HB2 . GLN B 1 137 ? -15.296 14.701 27.520 1.00 8.03 ? 137 GLN B HB2 1 ATOM 5615 H HB3 . GLN B 1 137 ? -16.289 15.782 26.916 1.00 8.03 ? 137 GLN B HB3 1 ATOM 5616 H HG2 . GLN B 1 137 ? -16.586 14.557 25.056 1.00 11.25 ? 137 GLN B HG2 1 ATOM 5617 H HG3 . GLN B 1 137 ? -15.446 13.535 25.500 1.00 11.25 ? 137 GLN B HG3 1 ATOM 5618 H HE21 . GLN B 1 137 ? -17.299 11.735 27.576 1.00 9.93 ? 137 GLN B HE21 1 ATOM 5619 H HE22 . GLN B 1 137 ? -15.912 12.037 27.123 1.00 9.93 ? 137 GLN B HE22 1 ATOM 5620 N N . ASP B 1 138 ? -14.617 18.254 26.747 1.00 7.02 ? 138 ASP B N 1 ATOM 5621 C CA . ASP B 1 138 ? -14.701 19.349 27.727 1.00 7.58 ? 138 ASP B CA 1 ATOM 5622 C C . ASP B 1 138 ? -16.148 19.740 28.004 1.00 10.63 ? 138 ASP B C 1 ATOM 5623 O O . ASP B 1 138 ? -16.368 20.593 28.864 1.00 11.20 ? 138 ASP B O 1 ATOM 5624 C CB . ASP B 1 138 ? -13.911 20.567 27.287 1.00 7.66 ? 138 ASP B CB 1 ATOM 5625 C CG . ASP B 1 138 ? -12.407 20.377 27.418 1.00 7.93 ? 138 ASP B CG 1 ATOM 5626 O OD1 . ASP B 1 138 ? -11.959 19.471 28.191 1.00 7.63 ? 138 ASP B OD1 1 ATOM 5627 O OD2 . ASP B 1 138 ? -11.610 21.100 26.754 1.00 9.18 ? 138 ASP B OD2 1 ATOM 5628 H H . ASP B 1 138 ? -14.916 18.460 25.968 1.00 8.41 ? 138 ASP B H 1 ATOM 5629 H HA . ASP B 1 138 ? -14.314 19.038 28.572 1.00 9.09 ? 138 ASP B HA 1 ATOM 5630 H HB2 . ASP B 1 138 ? -14.110 20.752 26.356 1.00 9.18 ? 138 ASP B HB2 1 ATOM 5631 H HB3 . ASP B 1 138 ? -14.166 21.323 27.838 1.00 9.18 ? 138 ASP B HB3 1 ATOM 5632 N N . SER B 1 139 ? -17.103 19.141 27.308 1.00 9.01 ? 139 SER B N 1 ATOM 5633 C CA . SER B 1 139 ? -18.527 19.325 27.594 1.00 8.29 ? 139 SER B CA 1 ATOM 5634 C C . SER B 1 139 ? -19.207 17.959 27.651 1.00 10.93 ? 139 SER B C 1 ATOM 5635 O O . SER B 1 139 ? -18.537 16.914 27.579 1.00 10.32 ? 139 SER B O 1 ATOM 5636 C CB . SER B 1 139 ? -19.148 20.164 26.473 1.00 9.31 ? 139 SER B CB 1 ATOM 5637 O OG . SER B 1 139 ? -19.217 19.396 25.292 1.00 12.72 ? 139 SER B OG 1 ATOM 5638 H H . SER B 1 139 ? -16.952 18.610 26.649 1.00 10.80 ? 139 SER B H 1 ATOM 5639 H HA . SER B 1 139 ? -18.647 19.785 28.450 1.00 9.93 ? 139 SER B HA 1 ATOM 5640 H HB2 . SER B 1 139 ? -20.044 20.433 26.732 1.00 11.16 ? 139 SER B HB2 1 ATOM 5641 H HB3 . SER B 1 139 ? -18.596 20.946 26.315 1.00 11.16 ? 139 SER B HB3 1 ATOM 5642 H HG . SER B 1 139 ? -19.548 19.840 24.687 1.00 15.25 ? 139 SER B HG 1 ATOM 5643 N N . TYR B 1 140 ? -20.521 17.922 27.779 1.00 11.22 ? 140 TYR B N 1 ATOM 5644 C CA . TYR B 1 140 ? -21.241 16.681 27.842 1.00 9.84 ? 140 TYR B CA 1 ATOM 5645 C C . TYR B 1 140 ? -21.427 16.174 26.432 1.00 10.00 ? 140 TYR B C 1 ATOM 5646 O O . TYR B 1 140 ? -22.430 16.476 25.753 1.00 12.61 ? 140 TYR B O 1 ATOM 5647 C CB . TYR B 1 140 ? -22.591 16.907 28.549 1.00 11.13 ? 140 TYR B CB 1 ATOM 5648 C CG . TYR B 1 140 ? -23.373 15.643 28.824 1.00 10.42 ? 140 TYR B CG 1 ATOM 5649 C CD1 . TYR B 1 140 ? -22.816 14.584 29.528 1.00 10.10 ? 140 TYR B CD1 1 ATOM 5650 C CD2 . TYR B 1 140 ? -24.700 15.524 28.435 1.00 13.51 ? 140 TYR B CD2 1 ATOM 5651 C CE1 . TYR B 1 140 ? -23.547 13.434 29.811 1.00 8.98 ? 140 TYR B CE1 1 ATOM 5652 C CE2 . TYR B 1 140 ? -25.426 14.380 28.698 1.00 14.65 ? 140 TYR B CE2 1 ATOM 5653 C CZ . TYR B 1 140 ? -24.850 13.329 29.399 1.00 12.74 ? 140 TYR B CZ 1 ATOM 5654 O OH . TYR B 1 140 ? -25.562 12.182 29.689 1.00 15.61 ? 140 TYR B OH 1 ATOM 5655 H H . TYR B 1 140 ? -21.022 18.619 27.833 1.00 13.45 ? 140 TYR B H 1 ATOM 5656 H HA . TYR B 1 140 ? -20.725 16.022 28.350 1.00 11.79 ? 140 TYR B HA 1 ATOM 5657 H HB2 . TYR B 1 140 ? -22.426 17.343 29.399 1.00 13.34 ? 140 TYR B HB2 1 ATOM 5658 H HB3 . TYR B 1 140 ? -23.142 17.478 27.990 1.00 13.34 ? 140 TYR B HB3 1 ATOM 5659 H HD1 . TYR B 1 140 ? -21.934 14.644 29.816 1.00 12.11 ? 140 TYR B HD1 1 ATOM 5660 H HD2 . TYR B 1 140 ? -25.100 16.220 27.966 1.00 16.19 ? 140 TYR B HD2 1 ATOM 5661 H HE1 . TYR B 1 140 ? -23.149 12.734 30.275 1.00 10.77 ? 140 TYR B HE1 1 ATOM 5662 H HE2 . TYR B 1 140 ? -26.312 14.321 28.421 1.00 17.56 ? 140 TYR B HE2 1 ATOM 5663 H HH . TYR B 1 140 ? -25.601 12.075 30.501 1.00 18.72 ? 140 TYR B HH 1 ATOM 5664 N N . GLY B 1 141 ? -20.438 15.415 25.955 1.00 9.91 ? 141 GLY B N 1 ATOM 5665 C CA . GLY B 1 141 ? -20.469 14.869 24.618 1.00 10.03 ? 141 GLY B CA 1 ATOM 5666 C C . GLY B 1 141 ? -19.595 15.571 23.616 1.00 12.18 ? 141 GLY B C 1 ATOM 5667 O O . GLY B 1 141 ? -19.511 15.108 22.475 1.00 17.15 ? 141 GLY B O 1 ATOM 5668 H H . GLY B 1 141 ? -19.732 15.206 26.400 1.00 11.88 ? 141 GLY B H 1 ATOM 5669 H HA2 . GLY B 1 141 ? -20.194 13.939 24.653 1.00 12.02 ? 141 GLY B HA2 1 ATOM 5670 H HA3 . GLY B 1 141 ? -21.381 14.898 24.289 1.00 12.02 ? 141 GLY B HA3 1 ATOM 5671 N N . GLY B 1 142 ? -18.933 16.654 23.981 1.00 9.87 ? 142 GLY B N 1 ATOM 5672 C CA . GLY B 1 142 ? -18.250 17.431 22.978 1.00 10.36 ? 142 GLY B CA 1 ATOM 5673 C C . GLY B 1 142 ? -17.127 18.316 23.467 1.00 10.04 ? 142 GLY B C 1 ATOM 5674 O O . GLY B 1 142 ? -16.463 17.995 24.451 1.00 9.66 ? 142 GLY B O 1 ATOM 5675 H H . GLY B 1 142 ? -18.867 16.953 24.785 1.00 11.83 ? 142 GLY B H 1 ATOM 5676 H HA2 . GLY B 1 142 ? -17.880 16.825 22.317 1.00 12.42 ? 142 GLY B HA2 1 ATOM 5677 H HA3 . GLY B 1 142 ? -18.898 17.998 22.531 1.00 12.42 ? 142 GLY B HA3 1 ATOM 5678 N N A LYS B 1 143 ? -16.949 19.445 22.786 0.62 10.52 ? 143 LYS B N 1 ATOM 5679 N N B LYS B 1 143 ? -16.885 19.413 22.749 0.38 9.91 ? 143 LYS B N 1 ATOM 5680 C CA A LYS B 1 143 ? -15.883 20.390 23.037 0.62 8.63 ? 143 LYS B CA 1 ATOM 5681 C CA B LYS B 1 143 ? -15.860 20.396 23.090 0.38 8.81 ? 143 LYS B CA 1 ATOM 5682 C C A LYS B 1 143 ? -14.548 19.644 23.109 0.62 6.82 ? 143 LYS B C 1 ATOM 5683 C C B LYS B 1 143 ? -14.451 19.773 23.061 0.38 7.74 ? 143 LYS B C 1 ATOM 5684 O O A LYS B 1 143 ? -13.859 19.633 24.109 0.62 9.11 ? 143 LYS B O 1 ATOM 5685 O O B LYS B 1 143 ? -13.604 19.983 23.935 0.38 6.37 ? 143 LYS B O 1 ATOM 5686 C CB A LYS B 1 143 ? -16.134 21.264 24.264 0.62 9.11 ? 143 LYS B CB 1 ATOM 5687 C CB B LYS B 1 143 ? -16.169 21.092 24.410 0.38 10.44 ? 143 LYS B CB 1 ATOM 5688 C CG A LYS B 1 143 ? -17.326 22.243 24.134 0.62 18.79 ? 143 LYS B CG 1 ATOM 5689 C CG B LYS B 1 143 ? -17.234 22.186 24.288 0.38 18.67 ? 143 LYS B CG 1 ATOM 5690 C CD A LYS B 1 143 ? -17.323 23.242 25.312 0.62 16.94 ? 143 LYS B CD 1 ATOM 5691 C CD B LYS B 1 143 ? -16.644 23.544 24.660 0.38 22.24 ? 143 LYS B CD 1 ATOM 5692 C CE A LYS B 1 143 ? -18.366 24.354 25.176 0.62 31.11 ? 143 LYS B CE 1 ATOM 5693 C CE B LYS B 1 143 ? -16.003 23.511 26.045 0.38 22.75 ? 143 LYS B CE 1 ATOM 5694 N NZ A LYS B 1 143 ? -19.756 23.828 25.183 0.62 39.43 ? 143 LYS B NZ 1 ATOM 5695 N NZ B LYS B 1 143 ? -14.850 24.461 26.154 0.38 25.46 ? 143 LYS B NZ 1 ATOM 5696 H H A LYS B 1 143 ? -17.464 19.691 22.143 0.62 12.62 ? 143 LYS B H 1 ATOM 5697 H H B LYS B 1 143 ? -17.318 19.615 22.035 0.38 11.88 ? 143 LYS B H 1 ATOM 5698 H HA A LYS B 1 143 ? -15.830 20.993 22.266 0.62 10.35 ? 143 LYS B HA 1 ATOM 5699 H HA B LYS B 1 143 ? -15.873 21.090 22.398 0.38 10.56 ? 143 LYS B HA 1 ATOM 5700 H HB2 A LYS B 1 143 ? -16.311 20.687 25.023 0.62 10.92 ? 143 LYS B HB2 1 ATOM 5701 H HB2 B LYS B 1 143 ? -16.491 20.433 25.045 0.38 12.51 ? 143 LYS B HB2 1 ATOM 5702 H HB3 A LYS B 1 143 ? -15.339 21.792 24.435 0.62 10.92 ? 143 LYS B HB3 1 ATOM 5703 H HB3 B LYS B 1 143 ? -15.357 21.503 24.746 0.38 12.51 ? 143 LYS B HB3 1 ATOM 5704 H HG2 A LYS B 1 143 ? -17.247 22.743 23.306 0.62 22.53 ? 143 LYS B HG2 1 ATOM 5705 H HG2 B LYS B 1 143 ? -17.551 22.229 23.373 0.38 22.39 ? 143 LYS B HG2 1 ATOM 5706 H HG3 A LYS B 1 143 ? -18.159 21.746 24.153 0.62 22.53 ? 143 LYS B HG3 1 ATOM 5707 H HG3 B LYS B 1 143 ? -17.967 21.994 24.893 0.38 22.39 ? 143 LYS B HG3 1 ATOM 5708 H HD2 A LYS B 1 143 ? -17.510 22.759 26.133 0.62 20.31 ? 143 LYS B HD2 1 ATOM 5709 H HD2 B LYS B 1 143 ? -15.961 23.784 24.014 0.38 26.68 ? 143 LYS B HD2 1 ATOM 5710 H HD3 A LYS B 1 143 ? -16.449 23.659 25.367 0.62 20.31 ? 143 LYS B HD3 1 ATOM 5711 H HD3 B LYS B 1 143 ? -17.349 24.209 24.666 0.38 26.68 ? 143 LYS B HD3 1 ATOM 5712 H HE2 A LYS B 1 143 ? -18.273 24.970 25.920 0.62 37.32 ? 143 LYS B HE2 1 ATOM 5713 H HE2 B LYS B 1 143 ? -16.666 23.762 26.707 0.38 27.29 ? 143 LYS B HE2 1 ATOM 5714 H HE3 A LYS B 1 143 ? -18.225 24.821 24.337 0.62 37.32 ? 143 LYS B HE3 1 ATOM 5715 H HE3 B LYS B 1 143 ? -15.675 22.616 26.223 0.38 27.29 ? 143 LYS B HE3 1 ATOM 5716 H HZ1 A LYS B 1 143 ? -20.381 24.552 25.096 0.62 47.31 ? 143 LYS B HZ1 1 ATOM 5717 H HZ1 B LYS B 1 143 ? -14.174 24.233 25.511 0.38 30.54 ? 143 LYS B HZ1 1 ATOM 5718 H HZ2 A LYS B 1 143 ? -19.880 23.219 24.451 0.62 47.31 ? 143 LYS B HZ2 1 ATOM 5719 H HZ2 B LYS B 1 143 ? -15.147 25.359 25.988 0.38 30.54 ? 143 LYS B HZ2 1 ATOM 5720 H HZ3 A LYS B 1 143 ? -19.927 23.366 26.007 0.62 47.31 ? 143 LYS B HZ3 1 ATOM 5721 H HZ3 B LYS B 1 143 ? -14.471 24.417 27.035 0.38 30.54 ? 143 LYS B HZ3 1 ATOM 5722 N N . PHE B 1 144 ? -14.222 19.063 21.969 1.00 7.88 ? 144 PHE B N 1 ATOM 5723 C CA . PHE B 1 144 ? -12.987 18.314 21.748 1.00 7.17 ? 144 PHE B CA 1 ATOM 5724 C C . PHE B 1 144 ? -11.819 19.244 21.462 1.00 7.35 ? 144 PHE B C 1 ATOM 5725 O O . PHE B 1 144 ? -11.985 20.454 21.260 1.00 10.33 ? 144 PHE B O 1 ATOM 5726 C CB . PHE B 1 144 ? -13.185 17.356 20.558 1.00 8.29 ? 144 PHE B CB 1 ATOM 5727 C CG . PHE B 1 144 ? -14.330 16.388 20.707 1.00 8.24 ? 144 PHE B CG 1 ATOM 5728 C CD1 . PHE B 1 144 ? -14.638 15.792 21.920 1.00 9.17 ? 144 PHE B CD1 1 ATOM 5729 C CD2 . PHE B 1 144 ? -15.085 16.031 19.596 1.00 10.55 ? 144 PHE B CD2 1 ATOM 5730 C CE1 . PHE B 1 144 ? -15.663 14.861 22.026 1.00 9.29 ? 144 PHE B CE1 1 ATOM 5731 C CE2 . PHE B 1 144 ? -16.134 15.141 19.699 1.00 12.66 ? 144 PHE B CE2 1 ATOM 5732 C CZ . PHE B 1 144 ? -16.414 14.539 20.912 1.00 10.68 ? 144 PHE B CZ 1 ATOM 5733 H H A PHE B 1 144 ? -14.723 19.089 21.271 0.63 9.45 ? 144 PHE B H 1 ATOM 5734 H H B PHE B 1 144 ? -14.781 18.995 21.320 0.37 9.45 ? 144 PHE B H 1 ATOM 5735 H HA . PHE B 1 144 ? -12.777 17.784 22.545 1.00 8.59 ? 144 PHE B HA 1 ATOM 5736 H HB2 . PHE B 1 144 ? -13.349 17.884 19.760 1.00 9.94 ? 144 PHE B HB2 1 ATOM 5737 H HB3 . PHE B 1 144 ? -12.374 16.835 20.442 1.00 9.94 ? 144 PHE B HB3 1 ATOM 5738 H HD1 . PHE B 1 144 ? -14.126 15.994 22.670 1.00 11.00 ? 144 PHE B HD1 1 ATOM 5739 H HD2 . PHE B 1 144 ? -14.900 16.424 18.774 1.00 12.65 ? 144 PHE B HD2 1 ATOM 5740 H HE1 . PHE B 1 144 ? -15.863 14.479 22.850 1.00 11.13 ? 144 PHE B HE1 1 ATOM 5741 H HE2 . PHE B 1 144 ? -16.629 14.918 18.944 1.00 15.17 ? 144 PHE B HE2 1 ATOM 5742 H HZ . PHE B 1 144 ? -17.119 13.938 20.982 1.00 12.81 ? 144 PHE B HZ 1 ATOM 5743 N N . ASP B 1 145 ? -10.613 18.686 21.411 1.00 7.36 ? 145 ASP B N 1 ATOM 5744 C CA . ASP B 1 145 ? -9.373 19.454 21.233 1.00 7.82 ? 145 ASP B CA 1 ATOM 5745 C C . ASP B 1 145 ? -8.429 18.579 20.419 1.00 9.83 ? 145 ASP B C 1 ATOM 5746 O O . ASP B 1 145 ? -8.002 17.506 20.877 1.00 8.48 ? 145 ASP B O 1 ATOM 5747 C CB . ASP B 1 145 ? -8.789 19.813 22.614 1.00 10.28 ? 145 ASP B CB 1 ATOM 5748 C CG . ASP B 1 145 ? -7.465 20.546 22.562 1.00 11.54 ? 145 ASP B CG 1 ATOM 5749 O OD1 . ASP B 1 145 ? -6.803 20.570 21.519 1.00 11.49 ? 145 ASP B OD1 1 ATOM 5750 O OD2 . ASP B 1 145 ? -7.043 21.075 23.626 1.00 11.87 ? 145 ASP B OD2 1 ATOM 5751 H H . ASP B 1 145 ? -10.479 17.840 21.480 1.00 8.82 ? 145 ASP B H 1 ATOM 5752 H HA . ASP B 1 145 ? -9.555 20.278 20.736 1.00 9.37 ? 145 ASP B HA 1 ATOM 5753 H HB2 . ASP B 1 145 ? -9.422 20.382 23.080 1.00 12.32 ? 145 ASP B HB2 1 ATOM 5754 H HB3 . ASP B 1 145 ? -8.653 18.995 23.117 1.00 12.32 ? 145 ASP B HB3 1 ATOM 5755 N N . ARG B 1 146 ? -8.100 18.999 19.199 1.00 8.30 ? 146 ARG B N 1 ATOM 5756 C CA . ARG B 1 146 ? -7.263 18.168 18.336 1.00 9.97 ? 146 ARG B CA 1 ATOM 5757 C C . ARG B 1 146 ? -5.930 17.818 18.985 1.00 8.20 ? 146 ARG B C 1 ATOM 5758 O O . ARG B 1 146 ? -5.383 16.738 18.709 1.00 8.30 ? 146 ARG B O 1 ATOM 5759 C CB . ARG B 1 146 ? -7.057 18.883 17.003 1.00 11.49 ? 146 ARG B CB 1 ATOM 5760 C CG . ARG B 1 146 ? -6.270 18.093 15.984 1.00 12.07 ? 146 ARG B CG 1 ATOM 5761 C CD . ARG B 1 146 ? -6.347 18.712 14.583 1.00 14.54 ? 146 ARG B CD 1 ATOM 5762 N NE . ARG B 1 146 ? -5.688 20.007 14.567 1.00 15.86 ? 146 ARG B NE 1 ATOM 5763 C CZ . ARG B 1 146 ? -5.625 20.790 13.491 1.00 18.19 ? 146 ARG B CZ 1 ATOM 5764 N NH1 . ARG B 1 146 ? -6.238 20.418 12.377 1.00 21.09 ? 146 ARG B NH1 1 ATOM 5765 N NH2 . ARG B 1 146 ? -4.996 21.955 13.580 1.00 19.35 ? 146 ARG B NH2 1 ATOM 5766 H H . ARG B 1 146 ? -8.343 19.748 18.852 1.00 9.95 ? 146 ARG B H 1 ATOM 5767 H HA . ARG B 1 146 ? -7.735 17.329 18.155 1.00 11.95 ? 146 ARG B HA 1 ATOM 5768 H HB2 . ARG B 1 146 ? -7.926 19.077 16.617 1.00 13.78 ? 146 ARG B HB2 1 ATOM 5769 H HB3 . ARG B 1 146 ? -6.580 19.712 17.165 1.00 13.78 ? 146 ARG B HB3 1 ATOM 5770 H HG2 . ARG B 1 146 ? -5.338 18.068 16.253 1.00 14.47 ? 146 ARG B HG2 1 ATOM 5771 H HG3 . ARG B 1 146 ? -6.627 17.192 15.936 1.00 14.47 ? 146 ARG B HG3 1 ATOM 5772 H HD2 . ARG B 1 146 ? -5.900 18.132 13.947 1.00 17.44 ? 146 ARG B HD2 1 ATOM 5773 H HD3 . ARG B 1 146 ? -7.276 18.836 14.334 1.00 17.44 ? 146 ARG B HD3 1 ATOM 5774 H HE . ARG B 1 146 ? -5.389 20.374 15.414 1.00 19.02 ? 146 ARG B HE 1 ATOM 5775 H HH11 . ARG B 1 146 ? -6.643 19.660 12.341 1.00 25.29 ? 146 ARG B HH11 1 ATOM 5776 H HH12 . ARG B 1 146 ? -6.210 20.922 11.681 1.00 25.29 ? 146 ARG B HH12 1 ATOM 5777 H HH21 . ARG B 1 146 ? -4.614 22.183 14.316 1.00 23.21 ? 146 ARG B HH21 1 ATOM 5778 H HH22 . ARG B 1 146 ? -4.960 22.477 12.898 1.00 23.21 ? 146 ARG B HH22 1 ATOM 5779 N N . SER B 1 147 ? -5.386 18.669 19.854 1.00 7.49 ? 147 SER B N 1 ATOM 5780 C CA . SER B 1 147 ? -4.101 18.397 20.478 1.00 7.22 ? 147 SER B CA 1 ATOM 5781 C C . SER B 1 147 ? -4.173 17.357 21.592 1.00 8.21 ? 147 SER B C 1 ATOM 5782 O O . SER B 1 147 ? -3.138 16.974 22.134 1.00 9.19 ? 147 SER B O 1 ATOM 5783 C CB . SER B 1 147 ? -3.458 19.677 20.996 1.00 10.12 ? 147 SER B CB 1 ATOM 5784 O OG . SER B 1 147 ? -4.132 20.201 22.129 1.00 12.07 ? 147 SER B OG 1 ATOM 5785 H H . SER B 1 147 ? -5.745 19.411 20.097 1.00 8.98 ? 147 SER B H 1 ATOM 5786 H HA . SER B 1 147 ? -3.504 18.036 19.790 1.00 8.65 ? 147 SER B HA 1 ATOM 5787 H HB2 . SER B 1 147 ? -2.539 19.486 21.242 1.00 12.13 ? 147 SER B HB2 1 ATOM 5788 H HB3 . SER B 1 147 ? -3.475 20.342 20.289 1.00 12.13 ? 147 SER B HB3 1 ATOM 5789 H HG . SER B 1 147 ? -4.768 19.722 22.324 1.00 14.47 ? 147 SER B HG 1 ATOM 5790 N N . GLN B 1 148 ? -5.375 16.863 21.851 1.00 6.79 ? 148 GLN B N 1 ATOM 5791 C CA . GLN B 1 148 ? -5.589 15.776 22.814 1.00 7.54 ? 148 GLN B CA 1 ATOM 5792 C C . GLN B 1 148 ? -6.175 14.550 22.152 1.00 7.07 ? 148 GLN B C 1 ATOM 5793 O O . GLN B 1 148 ? -6.508 13.577 22.858 1.00 8.23 ? 148 GLN B O 1 ATOM 5794 C CB . GLN B 1 148 ? -6.530 16.211 23.951 1.00 7.33 ? 148 GLN B CB 1 ATOM 5795 C CG . GLN B 1 148 ? -5.997 17.414 24.729 1.00 8.04 ? 148 GLN B CG 1 ATOM 5796 C CD . GLN B 1 148 ? -6.916 17.794 25.865 1.00 7.99 ? 148 GLN B CD 1 ATOM 5797 O OE1 . GLN B 1 148 ? -8.063 18.217 25.633 1.00 8.01 ? 148 GLN B OE1 1 ATOM 5798 N NE2 . GLN B 1 148 ? -6.444 17.654 27.082 1.00 10.59 ? 148 GLN B NE2 1 ATOM 5799 H H . GLN B 1 148 ? -6.099 17.141 21.478 1.00 8.14 ? 148 GLN B H 1 ATOM 5800 H HA . GLN B 1 148 ? -4.729 15.526 23.211 1.00 9.04 ? 148 GLN B HA 1 ATOM 5801 H HB2 . GLN B 1 148 ? -7.390 16.455 23.575 1.00 8.78 ? 148 GLN B HB2 1 ATOM 5802 H HB3 . GLN B 1 148 ? -6.636 15.474 24.573 1.00 8.78 ? 148 GLN B HB3 1 ATOM 5803 H HG2 . GLN B 1 148 ? -5.128 17.194 25.102 1.00 9.63 ? 148 GLN B HG2 1 ATOM 5804 H HG3 . GLN B 1 148 ? -5.922 18.174 24.131 1.00 9.63 ? 148 GLN B HG3 1 ATOM 5805 H HE21 . GLN B 1 148 ? -6.932 17.858 27.759 1.00 12.70 ? 148 GLN B HE21 1 ATOM 5806 H HE22 . GLN B 1 148 ? -5.645 17.357 27.201 1.00 12.70 ? 148 GLN B HE22 1 ATOM 5807 N N . SER B 1 149 ? -6.367 14.589 20.837 1.00 7.62 ? 149 SER B N 1 ATOM 5808 C CA . SER B 1 149 ? -7.015 13.507 20.126 1.00 6.75 ? 149 SER B CA 1 ATOM 5809 C C . SER B 1 149 ? -6.133 12.271 20.105 1.00 5.96 ? 149 SER B C 1 ATOM 5810 O O . SER B 1 149 ? -4.905 12.367 20.118 1.00 8.11 ? 149 SER B O 1 ATOM 5811 C CB . SER B 1 149 ? -7.369 13.929 18.713 1.00 8.49 ? 149 SER B CB 1 ATOM 5812 O OG . SER B 1 149 ? -6.219 14.216 17.897 1.00 8.23 ? 149 SER B OG 1 ATOM 5813 H H . SER B 1 149 ? -6.126 15.242 20.332 1.00 9.13 ? 149 SER B H 1 ATOM 5814 H HA . SER B 1 149 ? -7.847 13.276 20.589 1.00 8.09 ? 149 SER B HA 1 ATOM 5815 H HB2 . SER B 1 149 ? -7.871 13.212 18.295 1.00 10.17 ? 149 SER B HB2 1 ATOM 5816 H HB3 . SER B 1 149 ? -7.920 14.726 18.759 1.00 10.17 ? 149 SER B HB3 1 ATOM 5817 H HG . SER B 1 149 ? -5.533 14.105 18.331 1.00 9.86 ? 149 SER B HG 1 ATOM 5818 N N . PHE B 1 150 ? -6.779 11.110 20.066 1.00 7.00 ? 150 PHE B N 1 ATOM 5819 C CA . PHE B 1 150 ? -6.062 9.837 19.997 1.00 6.62 ? 150 PHE B CA 1 ATOM 5820 C C . PHE B 1 150 ? -5.970 9.415 18.546 1.00 8.73 ? 150 PHE B C 1 ATOM 5821 O O . PHE B 1 150 ? -6.979 9.376 17.825 1.00 9.18 ? 150 PHE B O 1 ATOM 5822 C CB . PHE B 1 150 ? -6.795 8.768 20.807 1.00 6.37 ? 150 PHE B CB 1 ATOM 5823 C CG . PHE B 1 150 ? -6.177 7.404 20.682 1.00 7.09 ? 150 PHE B CG 1 ATOM 5824 C CD1 . PHE B 1 150 ? -5.093 7.042 21.454 1.00 8.10 ? 150 PHE B CD1 1 ATOM 5825 C CD2 . PHE B 1 150 ? -6.695 6.497 19.772 1.00 7.69 ? 150 PHE B CD2 1 ATOM 5826 C CE1 . PHE B 1 150 ? -4.514 5.813 21.298 1.00 8.57 ? 150 PHE B CE1 1 ATOM 5827 C CE2 . PHE B 1 150 ? -6.133 5.240 19.635 1.00 7.04 ? 150 PHE B CE2 1 ATOM 5828 C CZ . PHE B 1 150 ? -5.013 4.903 20.391 1.00 7.20 ? 150 PHE B CZ 1 ATOM 5829 H H . PHE B 1 150 ? -7.635 11.030 20.078 1.00 8.39 ? 150 PHE B H 1 ATOM 5830 H HA . PHE B 1 150 ? -5.156 9.943 20.356 1.00 7.93 ? 150 PHE B HA 1 ATOM 5831 H HB2 . PHE B 1 150 ? -6.781 9.018 21.744 1.00 7.63 ? 150 PHE B HB2 1 ATOM 5832 H HB3 . PHE B 1 150 ? -7.712 8.711 20.494 1.00 7.63 ? 150 PHE B HB3 1 ATOM 5833 H HD1 . PHE B 1 150 ? -4.726 7.653 22.052 1.00 9.71 ? 150 PHE B HD1 1 ATOM 5834 H HD2 . PHE B 1 150 ? -7.429 6.732 19.253 1.00 9.22 ? 150 PHE B HD2 1 ATOM 5835 H HE1 . PHE B 1 150 ? -3.781 5.582 21.822 1.00 10.27 ? 150 PHE B HE1 1 ATOM 5836 H HE2 . PHE B 1 150 ? -6.478 4.637 19.017 1.00 8.43 ? 150 PHE B HE2 1 ATOM 5837 H HZ . PHE B 1 150 ? -4.633 4.058 20.317 1.00 8.63 ? 150 PHE B HZ 1 ATOM 5838 N N . VAL B 1 151 ? -4.757 9.129 18.109 1.00 6.51 ? 151 VAL B N 1 ATOM 5839 C CA . VAL B 1 151 ? -4.495 8.575 16.787 1.00 6.24 ? 151 VAL B CA 1 ATOM 5840 C C . VAL B 1 151 ? -3.881 7.207 16.991 1.00 7.06 ? 151 VAL B C 1 ATOM 5841 O O . VAL B 1 151 ? -2.924 7.067 17.760 1.00 8.27 ? 151 VAL B O 1 ATOM 5842 C CB . VAL B 1 151 ? -3.537 9.451 15.968 1.00 7.18 ? 151 VAL B CB 1 ATOM 5843 C CG1 . VAL B 1 151 ? -3.326 8.843 14.587 1.00 7.66 ? 151 VAL B CG1 1 ATOM 5844 C CG2 . VAL B 1 151 ? -4.080 10.890 15.871 1.00 8.51 ? 151 VAL B CG2 1 ATOM 5845 H H . VAL B 1 151 ? -4.044 9.249 18.574 1.00 7.81 ? 151 VAL B H 1 ATOM 5846 H HA . VAL B 1 151 ? -5.335 8.476 16.293 1.00 7.48 ? 151 VAL B HA 1 ATOM 5847 H HB . VAL B 1 151 ? -2.668 9.484 16.421 1.00 8.61 ? 151 VAL B HB 1 ATOM 5848 H HG11 . VAL B 1 151 ? -2.725 9.402 14.089 1.00 9.19 ? 151 VAL B HG11 1 ATOM 5849 H HG12 . VAL B 1 151 ? -2.951 7.965 14.686 1.00 9.19 ? 151 VAL B HG12 1 ATOM 5850 H HG13 . VAL B 1 151 ? -4.173 8.789 14.138 1.00 9.19 ? 151 VAL B HG13 1 ATOM 5851 H HG21 . VAL B 1 151 ? -3.468 11.421 15.357 1.00 10.21 ? 151 VAL B HG21 1 ATOM 5852 H HG22 . VAL B 1 151 ? -4.938 10.872 15.442 1.00 10.21 ? 151 VAL B HG22 1 ATOM 5853 H HG23 . VAL B 1 151 ? -4.164 11.253 16.757 1.00 10.21 ? 151 VAL B HG23 1 ATOM 5854 N N . GLY B 1 152 ? -4.453 6.183 16.366 1.00 6.31 ? 152 GLY B N 1 ATOM 5855 C CA . GLY B 1 152 ? -3.959 4.819 16.554 1.00 7.59 ? 152 GLY B CA 1 ATOM 5856 C C . GLY B 1 152 ? -5.127 3.886 16.689 1.00 7.31 ? 152 GLY B C 1 ATOM 5857 O O . GLY B 1 152 ? -6.225 4.125 16.168 1.00 7.60 ? 152 GLY B O 1 ATOM 5858 H H . GLY B 1 152 ? -5.123 6.248 15.831 1.00 7.55 ? 152 GLY B H 1 ATOM 5859 H HA2 . GLY B 1 152 ? -3.424 4.550 15.791 1.00 9.10 ? 152 GLY B HA2 1 ATOM 5860 H HA3 . GLY B 1 152 ? -3.417 4.768 17.356 1.00 9.10 ? 152 GLY B HA3 1 ATOM 5861 N N . GLU B 1 153 ? -4.918 2.790 17.415 1.00 5.84 ? 153 GLU B N 1 ATOM 5862 C CA . GLU B 1 153 ? -5.888 1.697 17.462 1.00 6.90 ? 153 GLU B CA 1 ATOM 5863 C C . GLU B 1 153 ? -6.249 1.336 18.904 1.00 6.86 ? 153 GLU B C 1 ATOM 5864 O O . GLU B 1 153 ? -5.383 1.322 19.782 1.00 6.84 ? 153 GLU B O 1 ATOM 5865 C CB . GLU B 1 153 ? -5.276 0.481 16.762 1.00 7.03 ? 153 GLU B CB 1 ATOM 5866 C CG . GLU B 1 153 ? -4.775 0.824 15.342 1.00 7.55 ? 153 GLU B CG 1 ATOM 5867 C CD . GLU B 1 153 ? -4.152 -0.362 14.634 1.00 9.28 ? 153 GLU B CD 1 ATOM 5868 O OE1 . GLU B 1 153 ? -4.737 -1.455 14.737 1.00 9.08 ? 153 GLU B OE1 1 ATOM 5869 O OE2 . GLU B 1 153 ? -3.112 -0.188 13.959 1.00 9.78 ? 153 GLU B OE2 1 ATOM 5870 H H . GLU B 1 153 ? -4.216 2.654 17.893 1.00 7.00 ? 153 GLU B H 1 ATOM 5871 H HA . GLU B 1 153 ? -6.705 1.957 16.988 1.00 8.27 ? 153 GLU B HA 1 ATOM 5872 H HB2 . GLU B 1 153 ? -4.521 0.161 17.281 1.00 8.43 ? 153 GLU B HB2 1 ATOM 5873 H HB3 . GLU B 1 153 ? -5.948 -0.215 16.687 1.00 8.43 ? 153 GLU B HB3 1 ATOM 5874 H HG2 . GLU B 1 153 ? -5.525 1.131 14.808 1.00 9.05 ? 153 GLU B HG2 1 ATOM 5875 H HG3 . GLU B 1 153 ? -4.105 1.522 15.404 1.00 9.05 ? 153 GLU B HG3 1 ATOM 5876 N N . ILE B 1 154 ? -7.516 1.048 19.158 1.00 7.25 ? 154 ILE B N 1 ATOM 5877 C CA . ILE B 1 154 ? -7.981 0.584 20.463 1.00 6.17 ? 154 ILE B CA 1 ATOM 5878 C C . ILE B 1 154 ? -8.833 -0.655 20.272 1.00 8.89 ? 154 ILE B C 1 ATOM 5879 O O . ILE B 1 154 ? -9.736 -0.715 19.397 1.00 9.81 ? 154 ILE B O 1 ATOM 5880 C CB . ILE B 1 154 ? -8.818 1.670 21.157 1.00 8.14 ? 154 ILE B CB 1 ATOM 5881 C CG1 . ILE B 1 154 ? -7.918 2.827 21.561 1.00 8.81 ? 154 ILE B CG1 1 ATOM 5882 C CG2 . ILE B 1 154 ? -9.541 1.111 22.400 1.00 8.83 ? 154 ILE B CG2 1 ATOM 5883 C CD1 . ILE B 1 154 ? -8.641 4.079 22.121 1.00 12.54 ? 154 ILE B CD1 1 ATOM 5884 H H . ILE B 1 154 ? -8.146 1.115 18.576 1.00 8.68 ? 154 ILE B H 1 ATOM 5885 H HA . ILE B 1 154 ? -7.215 0.360 21.032 1.00 7.39 ? 154 ILE B HA 1 ATOM 5886 H HB . ILE B 1 154 ? -9.483 1.997 20.531 1.00 9.76 ? 154 ILE B HB 1 ATOM 5887 H HG12 . ILE B 1 154 ? -7.307 2.515 22.247 1.00 10.56 ? 154 ILE B HG12 1 ATOM 5888 H HG13 . ILE B 1 154 ? -7.413 3.109 20.783 1.00 10.56 ? 154 ILE B HG13 1 ATOM 5889 H HG21 . ILE B 1 154 ? -10.052 1.815 22.806 1.00 10.59 ? 154 ILE B HG21 1 ATOM 5890 H HG22 . ILE B 1 154 ? -10.123 0.398 22.128 1.00 10.59 ? 154 ILE B HG22 1 ATOM 5891 H HG23 . ILE B 1 154 ? -8.886 0.782 23.019 1.00 10.59 ? 154 ILE B HG23 1 ATOM 5892 H HD11 . ILE B 1 154 ? -7.986 4.744 22.344 1.00 15.04 ? 154 ILE B HD11 1 ATOM 5893 H HD12 . ILE B 1 154 ? -9.240 4.419 21.452 1.00 15.04 ? 154 ILE B HD12 1 ATOM 5894 H HD13 . ILE B 1 154 ? -9.135 3.829 22.906 1.00 15.04 ? 154 ILE B HD13 1 ATOM 5895 N N . GLY B 1 155 ? -8.624 -1.659 21.112 1.00 8.60 ? 155 GLY B N 1 ATOM 5896 C CA . GLY B 1 155 ? -9.464 -2.839 21.085 1.00 9.67 ? 155 GLY B CA 1 ATOM 5897 C C . GLY B 1 155 ? -9.616 -3.463 22.460 1.00 9.45 ? 155 GLY B C 1 ATOM 5898 O O . GLY B 1 155 ? -9.087 -2.986 23.442 1.00 8.52 ? 155 GLY B O 1 ATOM 5899 H H . GLY B 1 155 ? -8.002 -1.679 21.706 1.00 10.31 ? 155 GLY B H 1 ATOM 5900 H HA2 . GLY B 1 155 ? -10.345 -2.603 20.754 1.00 11.60 ? 155 GLY B HA2 1 ATOM 5901 H HA3 . GLY B 1 155 ? -9.078 -3.499 20.488 1.00 11.60 ? 155 GLY B HA3 1 ATOM 5902 N N . ASP B 1 156 ? -10.377 -4.554 22.494 1.00 8.33 ? 156 ASP B N 1 ATOM 5903 C CA . ASP B 1 156 ? -10.548 -5.372 23.695 1.00 8.69 ? 156 ASP B CA 1 ATOM 5904 C C . ASP B 1 156 ? -10.894 -4.551 24.921 1.00 8.53 ? 156 ASP B C 1 ATOM 5905 O O . ASP B 1 156 ? -10.267 -4.697 25.985 1.00 8.28 ? 156 ASP B O 1 ATOM 5906 C CB . ASP B 1 156 ? -9.303 -6.244 23.944 1.00 9.68 ? 156 ASP B CB 1 ATOM 5907 C CG . ASP B 1 156 ? -9.156 -7.345 22.922 1.00 15.09 ? 156 ASP B CG 1 ATOM 5908 O OD1 . ASP B 1 156 ? -10.126 -7.626 22.168 1.00 16.47 ? 156 ASP B OD1 1 ATOM 5909 O OD2 . ASP B 1 156 ? -8.034 -7.922 22.831 1.00 16.50 ? 156 ASP B OD2 1 ATOM 5910 H H . ASP B 1 156 ? -10.816 -4.849 21.816 1.00 9.98 ? 156 ASP B H 1 ATOM 5911 H HA . ASP B 1 156 ? -11.299 -5.983 23.540 1.00 10.41 ? 156 ASP B HA 1 ATOM 5912 H HB2 . ASP B 1 156 ? -8.511 -5.685 23.901 1.00 11.61 ? 156 ASP B HB2 1 ATOM 5913 H HB3 . ASP B 1 156 ? -9.373 -6.654 24.821 1.00 11.61 ? 156 ASP B HB3 1 ATOM 5914 N N . LEU B 1 157 ? -11.882 -3.674 24.774 1.00 7.93 ? 157 LEU B N 1 ATOM 5915 C CA . LEU B 1 157 ? -12.301 -2.825 25.882 1.00 6.58 ? 157 LEU B CA 1 ATOM 5916 C C . LEU B 1 157 ? -13.416 -3.431 26.719 1.00 6.37 ? 157 LEU B C 1 ATOM 5917 O O . LEU B 1 157 ? -14.439 -3.841 26.165 1.00 7.95 ? 157 LEU B O 1 ATOM 5918 C CB . LEU B 1 157 ? -12.694 -1.430 25.366 1.00 8.52 ? 157 LEU B CB 1 ATOM 5919 C CG . LEU B 1 157 ? -12.937 -0.368 26.440 1.00 8.68 ? 157 LEU B CG 1 ATOM 5920 C CD1 . LEU B 1 157 ? -12.579 1.016 25.933 1.00 10.18 ? 157 LEU B CD1 1 ATOM 5921 C CD2 . LEU B 1 157 ? -14.404 -0.364 26.904 1.00 9.55 ? 157 LEU B CD2 1 ATOM 5922 H H . LEU B 1 157 ? -12.324 -3.551 24.046 1.00 9.50 ? 157 LEU B H 1 ATOM 5923 H HA . LEU B 1 157 ? -11.531 -2.704 26.477 1.00 7.89 ? 157 LEU B HA 1 ATOM 5924 H HB2 . LEU B 1 157 ? -11.983 -1.104 24.792 1.00 10.21 ? 157 LEU B HB2 1 ATOM 5925 H HB3 . LEU B 1 157 ? -13.512 -1.513 24.851 1.00 10.21 ? 157 LEU B HB3 1 ATOM 5926 H HG . LEU B 1 157 ? -12.379 -0.561 27.210 1.00 10.40 ? 157 LEU B HG 1 ATOM 5927 H HD11 . LEU B 1 157 ? -12.742 1.656 26.630 1.00 12.21 ? 157 LEU B HD11 1 ATOM 5928 H HD12 . LEU B 1 157 ? -11.650 1.028 25.689 1.00 12.21 ? 157 LEU B HD12 1 ATOM 5929 H HD13 . LEU B 1 157 ? -13.122 1.219 25.168 1.00 12.21 ? 157 LEU B HD13 1 ATOM 5930 H HD21 . LEU B 1 157 ? -14.517 0.312 27.575 1.00 11.45 ? 157 LEU B HD21 1 ATOM 5931 H HD22 . LEU B 1 157 ? -14.969 -0.176 26.150 1.00 11.45 ? 157 LEU B HD22 1 ATOM 5932 H HD23 . LEU B 1 157 ? -14.618 -1.226 27.267 1.00 11.45 ? 157 LEU B HD23 1 ATOM 5933 N N . TYR B 1 158 ? -13.211 -3.452 28.024 1.00 7.52 ? 158 TYR B N 1 ATOM 5934 C CA . TYR B 1 158 ? -14.162 -4.002 28.999 1.00 9.15 ? 158 TYR B CA 1 ATOM 5935 C C . TYR B 1 158 ? -14.218 -3.089 30.205 1.00 8.68 ? 158 TYR B C 1 ATOM 5936 O O . TYR B 1 158 ? -13.174 -2.540 30.619 1.00 7.84 ? 158 TYR B O 1 ATOM 5937 C CB . TYR B 1 158 ? -13.701 -5.397 29.466 1.00 8.79 ? 158 TYR B CB 1 ATOM 5938 C CG . TYR B 1 158 ? -13.652 -6.381 28.347 1.00 8.86 ? 158 TYR B CG 1 ATOM 5939 C CD1 . TYR B 1 158 ? -14.752 -7.186 28.045 1.00 11.04 ? 158 TYR B CD1 1 ATOM 5940 C CD2 . TYR B 1 158 ? -12.530 -6.516 27.562 1.00 10.11 ? 158 TYR B CD2 1 ATOM 5941 C CE1 . TYR B 1 158 ? -14.738 -8.073 26.993 1.00 12.15 ? 158 TYR B CE1 1 ATOM 5942 C CE2 . TYR B 1 158 ? -12.512 -7.414 26.490 1.00 9.97 ? 158 TYR B CE2 1 ATOM 5943 C CZ . TYR B 1 158 ? -13.610 -8.197 26.213 1.00 13.93 ? 158 TYR B CZ 1 ATOM 5944 O OH . TYR B 1 158 ? -13.611 -9.111 25.162 1.00 15.19 ? 158 TYR B OH 1 ATOM 5945 H H . TYR B 1 158 ? -12.499 -3.141 28.393 1.00 9.01 ? 158 TYR B H 1 ATOM 5946 H HA . TYR B 1 158 ? -15.056 -4.071 28.603 1.00 10.97 ? 158 TYR B HA 1 ATOM 5947 H HB2 . TYR B 1 158 ? -12.810 -5.327 29.844 1.00 10.53 ? 158 TYR B HB2 1 ATOM 5948 H HB3 . TYR B 1 158 ? -14.321 -5.730 30.133 1.00 10.53 ? 158 TYR B HB3 1 ATOM 5949 H HD1 . TYR B 1 158 ? -15.524 -7.105 28.557 1.00 13.24 ? 158 TYR B HD1 1 ATOM 5950 H HD2 . TYR B 1 158 ? -11.784 -5.986 27.731 1.00 12.12 ? 158 TYR B HD2 1 ATOM 5951 H HE1 . TYR B 1 158 ? -15.485 -8.598 26.817 1.00 14.57 ? 158 TYR B HE1 1 ATOM 5952 H HE2 . TYR B 1 158 ? -11.745 -7.496 25.970 1.00 11.95 ? 158 TYR B HE2 1 ATOM 5953 H HH . TYR B 1 158 ? -13.018 -9.666 25.272 1.00 18.21 ? 158 TYR B HH 1 ATOM 5954 N N . MET B 1 159 ? -15.403 -2.906 30.804 1.00 8.33 ? 159 MET B N 1 ATOM 5955 C CA . MET B 1 159 ? -15.523 -2.083 32.002 1.00 7.29 ? 159 MET B CA 1 ATOM 5956 C C . MET B 1 159 ? -16.487 -2.808 32.949 1.00 8.32 ? 159 MET B C 1 ATOM 5957 O O . MET B 1 159 ? -17.590 -3.181 32.529 1.00 9.21 ? 159 MET B O 1 ATOM 5958 C CB . MET B 1 159 ? -16.007 -0.659 31.695 1.00 8.42 ? 159 MET B CB 1 ATOM 5959 C CG . MET B 1 159 ? -15.827 0.262 32.843 1.00 9.97 ? 159 MET B CG 1 ATOM 5960 S SD . MET B 1 159 ? -16.377 1.906 32.362 1.00 10.72 ? 159 MET B SD 1 ATOM 5961 C CE . MET B 1 159 ? -16.004 2.833 33.854 1.00 14.05 ? 159 MET B CE 1 ATOM 5962 H H . MET B 1 159 ? -16.145 -3.247 30.534 1.00 9.98 ? 159 MET B H 1 ATOM 5963 H HA . MET B 1 159 ? -14.645 -2.016 32.432 1.00 8.74 ? 159 MET B HA 1 ATOM 5964 H HB2 . MET B 1 159 ? -15.501 -0.307 30.945 1.00 10.09 ? 159 MET B HB2 1 ATOM 5965 H HB3 . MET B 1 159 ? -16.951 -0.686 31.476 1.00 10.09 ? 159 MET B HB3 1 ATOM 5966 H HG2 . MET B 1 159 ? -16.363 -0.040 33.593 1.00 11.95 ? 159 MET B HG2 1 ATOM 5967 H HG3 . MET B 1 159 ? -14.889 0.305 33.085 1.00 11.95 ? 159 MET B HG3 1 ATOM 5968 H HE1 . MET B 1 159 ? -16.257 3.749 33.724 1.00 16.85 ? 159 MET B HE1 1 ATOM 5969 H HE2 . MET B 1 159 ? -16.498 2.457 34.587 1.00 16.85 ? 159 MET B HE2 1 ATOM 5970 H HE3 . MET B 1 159 ? -15.062 2.775 34.031 1.00 16.85 ? 159 MET B HE3 1 ATOM 5971 N N . TRP B 1 160 ? -16.048 -2.993 34.188 1.00 9.18 ? 160 TRP B N 1 ATOM 5972 C CA . TRP B 1 160 ? -16.805 -3.696 35.217 1.00 9.78 ? 160 TRP B CA 1 ATOM 5973 C C . TRP B 1 160 ? -17.115 -2.727 36.356 1.00 9.97 ? 160 TRP B C 1 ATOM 5974 O O . TRP B 1 160 ? -16.332 -1.808 36.664 1.00 10.21 ? 160 TRP B O 1 ATOM 5975 C CB . TRP B 1 160 ? -15.942 -4.786 35.821 1.00 9.90 ? 160 TRP B CB 1 ATOM 5976 C CG . TRP B 1 160 ? -15.510 -5.899 34.933 1.00 11.20 ? 160 TRP B CG 1 ATOM 5977 C CD1 . TRP B 1 160 ? -16.116 -7.126 34.820 1.00 11.26 ? 160 TRP B CD1 1 ATOM 5978 C CD2 . TRP B 1 160 ? -14.363 -5.950 34.072 1.00 9.68 ? 160 TRP B CD2 1 ATOM 5979 N NE1 . TRP B 1 160 ? -15.407 -7.917 33.954 1.00 11.54 ? 160 TRP B NE1 1 ATOM 5980 C CE2 . TRP B 1 160 ? -14.344 -7.216 33.455 1.00 11.54 ? 160 TRP B CE2 1 ATOM 5981 C CE3 . TRP B 1 160 ? -13.358 -5.039 33.744 1.00 9.16 ? 160 TRP B CE3 1 ATOM 5982 C CZ2 . TRP B 1 160 ? -13.346 -7.593 32.560 1.00 11.12 ? 160 TRP B CZ2 1 ATOM 5983 C CZ3 . TRP B 1 160 ? -12.391 -5.411 32.856 1.00 9.02 ? 160 TRP B CZ3 1 ATOM 5984 C CH2 . TRP B 1 160 ? -12.381 -6.667 32.266 1.00 9.61 ? 160 TRP B CH2 1 ATOM 5985 H H . TRP B 1 160 ? -15.285 -2.709 34.466 1.00 11.00 ? 160 TRP B H 1 ATOM 5986 H HA . TRP B 1 160 ? -17.633 -4.076 34.856 1.00 11.73 ? 160 TRP B HA 1 ATOM 5987 H HB2 . TRP B 1 160 ? -15.137 -4.372 36.168 1.00 11.87 ? 160 TRP B HB2 1 ATOM 5988 H HB3 . TRP B 1 160 ? -16.435 -5.185 36.555 1.00 11.87 ? 160 TRP B HB3 1 ATOM 5989 H HD1 . TRP B 1 160 ? -16.880 -7.389 35.280 1.00 13.51 ? 160 TRP B HD1 1 ATOM 5990 H HE1 . TRP B 1 160 ? -15.624 -8.717 33.724 1.00 13.84 ? 160 TRP B HE1 1 ATOM 5991 H HE3 . TRP B 1 160 ? -13.342 -4.194 34.132 1.00 10.99 ? 160 TRP B HE3 1 ATOM 5992 H HZ2 . TRP B 1 160 ? -13.348 -8.433 32.160 1.00 13.33 ? 160 TRP B HZ2 1 ATOM 5993 H HZ3 . TRP B 1 160 ? -11.720 -4.805 32.638 1.00 10.82 ? 160 TRP B HZ3 1 ATOM 5994 H HH2 . TRP B 1 160 ? -11.709 -6.883 31.661 1.00 11.52 ? 160 TRP B HH2 1 ATOM 5995 N N . ASP B 1 161 ? -18.233 -2.944 37.051 1.00 10.24 ? 161 ASP B N 1 ATOM 5996 C CA . ASP B 1 161 ? -18.588 -2.113 38.222 1.00 11.17 ? 161 ASP B CA 1 ATOM 5997 C C . ASP B 1 161 ? -18.024 -2.649 39.525 1.00 12.24 ? 161 ASP B C 1 ATOM 5998 O O . ASP B 1 161 ? -18.594 -2.410 40.609 1.00 13.50 ? 161 ASP B O 1 ATOM 5999 C CB . ASP B 1 161 ? -20.113 -1.945 38.334 1.00 12.49 ? 161 ASP B CB 1 ATOM 6000 C CG . ASP B 1 161 ? -20.805 -3.201 38.789 1.00 15.97 ? 161 ASP B CG 1 ATOM 6001 O OD1 . ASP B 1 161 ? -20.220 -4.295 38.783 1.00 14.81 ? 161 ASP B OD1 1 ATOM 6002 O OD2 . ASP B 1 161 ? -22.020 -3.074 39.126 1.00 20.85 ? 161 ASP B OD2 1 ATOM 6003 H H . ASP B 1 161 ? -18.805 -3.561 36.871 1.00 12.28 ? 161 ASP B H 1 ATOM 6004 H HA . ASP B 1 161 ? -18.207 -1.220 38.088 1.00 13.39 ? 161 ASP B HA 1 ATOM 6005 H HB2 . ASP B 1 161 ? -20.307 -1.245 38.977 1.00 14.98 ? 161 ASP B HB2 1 ATOM 6006 H HB3 . ASP B 1 161 ? -20.469 -1.704 37.464 1.00 14.98 ? 161 ASP B HB3 1 ATOM 6007 N N . SER B 1 162 ? -16.883 -3.322 39.429 1.00 10.41 ? 162 SER B N 1 ATOM 6008 C CA . SER B 1 162 ? -16.155 -3.815 40.578 1.00 11.64 ? 162 SER B CA 1 ATOM 6009 C C . SER B 1 162 ? -14.663 -3.634 40.390 1.00 11.14 ? 162 SER B C 1 ATOM 6010 O O . SER B 1 162 ? -14.223 -3.328 39.288 1.00 11.01 ? 162 SER B O 1 ATOM 6011 C CB . SER B 1 162 ? -16.458 -5.301 40.799 1.00 14.91 ? 162 SER B CB 1 ATOM 6012 O OG . SER B 1 162 ? -16.078 -6.079 39.670 1.00 15.50 ? 162 SER B OG 1 ATOM 6013 H H . SER B 1 162 ? -16.503 -3.508 38.681 1.00 12.48 ? 162 SER B H 1 ATOM 6014 H HA . SER B 1 162 ? -16.430 -3.320 41.377 1.00 13.96 ? 162 SER B HA 1 ATOM 6015 H HB2 . SER B 1 162 ? -15.965 -5.611 41.575 1.00 17.88 ? 162 SER B HB2 1 ATOM 6016 H HB3 . SER B 1 162 ? -17.410 -5.409 40.949 1.00 17.88 ? 162 SER B HB3 1 ATOM 6017 H HG . SER B 1 162 ? -16.246 -6.870 39.805 1.00 18.59 ? 162 SER B HG 1 ATOM 6018 N N . VAL B 1 163 ? -13.903 -3.795 41.472 1.00 12.26 ? 163 VAL B N 1 ATOM 6019 C CA . VAL B 1 163 ? -12.457 -3.790 41.434 1.00 12.26 ? 163 VAL B CA 1 ATOM 6020 C C . VAL B 1 163 ? -11.941 -5.209 41.171 1.00 12.54 ? 163 VAL B C 1 ATOM 6021 O O . VAL B 1 163 ? -12.083 -6.093 42.012 1.00 16.10 ? 163 VAL B O 1 ATOM 6022 C CB . VAL B 1 163 ? -11.873 -3.291 42.766 1.00 13.07 ? 163 VAL B CB 1 ATOM 6023 C CG1 . VAL B 1 163 ? -10.336 -3.352 42.710 1.00 12.72 ? 163 VAL B CG1 1 ATOM 6024 C CG2 . VAL B 1 163 ? -12.401 -1.874 43.120 1.00 18.15 ? 163 VAL B CG2 1 ATOM 6025 H H . VAL B 1 163 ? -14.220 -3.913 42.262 1.00 14.70 ? 163 VAL B H 1 ATOM 6026 H HA . VAL B 1 163 ? -12.146 -3.202 40.714 1.00 14.70 ? 163 VAL B HA 1 ATOM 6027 H HB . VAL B 1 163 ? -12.164 -3.898 43.478 1.00 15.67 ? 163 VAL B HB 1 ATOM 6028 H HG11 . VAL B 1 163 ? -9.981 -3.039 43.545 1.00 15.25 ? 163 VAL B HG11 1 ATOM 6029 H HG12 . VAL B 1 163 ? -10.065 -4.260 42.557 1.00 15.25 ? 163 VAL B HG12 1 ATOM 6030 H HG13 . VAL B 1 163 ? -10.028 -2.793 41.992 1.00 15.25 ? 163 VAL B HG13 1 ATOM 6031 H HG21 . VAL B 1 163 ? -12.016 -1.597 43.955 1.00 21.77 ? 163 VAL B HG21 1 ATOM 6032 H HG22 . VAL B 1 163 ? -12.146 -1.264 42.423 1.00 21.77 ? 163 VAL B HG22 1 ATOM 6033 H HG23 . VAL B 1 163 ? -13.357 -1.906 43.194 1.00 21.77 ? 163 VAL B HG23 1 ATOM 6034 N N . LEU B 1 164 ? -11.307 -5.421 40.031 1.00 12.63 ? 164 LEU B N 1 ATOM 6035 C CA . LEU B 1 164 ? -10.827 -6.754 39.676 1.00 13.84 ? 164 LEU B CA 1 ATOM 6036 C C . LEU B 1 164 ? -9.590 -7.088 40.484 1.00 12.23 ? 164 LEU B C 1 ATOM 6037 O O . LEU B 1 164 ? -8.669 -6.281 40.612 1.00 14.33 ? 164 LEU B O 1 ATOM 6038 C CB . LEU B 1 164 ? -10.465 -6.847 38.186 1.00 13.30 ? 164 LEU B CB 1 ATOM 6039 C CG . LEU B 1 164 ? -11.610 -6.756 37.169 1.00 18.06 ? 164 LEU B CG 1 ATOM 6040 C CD1 . LEU B 1 164 ? -11.105 -7.130 35.787 1.00 16.01 ? 164 LEU B CD1 1 ATOM 6041 C CD2 . LEU B 1 164 ? -12.756 -7.631 37.519 1.00 20.78 ? 164 LEU B CD2 1 ATOM 6042 H H . LEU B 1 164 ? -11.141 -4.815 39.444 1.00 15.14 ? 164 LEU B H 1 ATOM 6043 H HA . LEU B 1 164 ? -11.520 -7.418 39.873 1.00 16.60 ? 164 LEU B HA 1 ATOM 6044 H HB2 . LEU B 1 164 ? -9.847 -6.127 37.982 1.00 15.95 ? 164 LEU B HB2 1 ATOM 6045 H HB3 . LEU B 1 164 ? -10.022 -7.697 38.038 1.00 15.95 ? 164 LEU B HB3 1 ATOM 6046 H HG . LEU B 1 164 ? -11.931 -5.841 37.135 1.00 21.66 ? 164 LEU B HG 1 ATOM 6047 H HD11 . LEU B 1 164 ? -11.831 -7.068 35.162 1.00 19.20 ? 164 LEU B HD11 1 ATOM 6048 H HD12 . LEU B 1 164 ? -10.404 -6.523 35.537 1.00 19.20 ? 164 LEU B HD12 1 ATOM 6049 H HD13 . LEU B 1 164 ? -10.767 -8.028 35.811 1.00 19.20 ? 164 LEU B HD13 1 ATOM 6050 H HD21 . LEU B 1 164 ? -13.439 -7.532 36.851 1.00 24.93 ? 164 LEU B HD21 1 ATOM 6051 H HD22 . LEU B 1 164 ? -12.455 -8.542 37.548 1.00 24.93 ? 164 LEU B HD22 1 ATOM 6052 H HD23 . LEU B 1 164 ? -13.097 -7.370 38.377 1.00 24.93 ? 164 LEU B HD23 1 ATOM 6053 N N . PRO B 1 165 ? -9.528 -8.317 41.009 1.00 13.43 ? 165 PRO B N 1 ATOM 6054 C CA . PRO B 1 165 ? -8.284 -8.806 41.608 1.00 13.34 ? 165 PRO B CA 1 ATOM 6055 C C . PRO B 1 165 ? -7.250 -9.172 40.526 1.00 12.76 ? 165 PRO B C 1 ATOM 6056 O O . PRO B 1 165 ? -7.587 -9.278 39.322 1.00 13.00 ? 165 PRO B O 1 ATOM 6057 C CB . PRO B 1 165 ? -8.749 -10.070 42.340 1.00 16.77 ? 165 PRO B CB 1 ATOM 6058 C CG . PRO B 1 165 ? -9.841 -10.589 41.531 1.00 18.04 ? 165 PRO B CG 1 ATOM 6059 C CD . PRO B 1 165 ? -10.585 -9.335 41.016 1.00 14.18 ? 165 PRO B CD 1 ATOM 6060 H HA . PRO B 1 165 ? -7.910 -8.159 42.242 1.00 16.00 ? 165 PRO B HA 1 ATOM 6061 H HB2 . PRO B 1 165 ? -8.021 -10.709 42.385 1.00 20.11 ? 165 PRO B HB2 1 ATOM 6062 H HB3 . PRO B 1 165 ? -9.060 -9.838 43.229 1.00 20.11 ? 165 PRO B HB3 1 ATOM 6063 H HG2 . PRO B 1 165 ? -9.484 -11.105 40.791 1.00 21.64 ? 165 PRO B HG2 1 ATOM 6064 H HG3 . PRO B 1 165 ? -10.426 -11.133 42.080 1.00 21.64 ? 165 PRO B HG3 1 ATOM 6065 H HD2 . PRO B 1 165 ? -10.921 -9.484 40.118 1.00 17.00 ? 165 PRO B HD2 1 ATOM 6066 H HD3 . PRO B 1 165 ? -11.294 -9.085 41.628 1.00 17.00 ? 165 PRO B HD3 1 ATOM 6067 N N . PRO B 1 166 ? -5.992 -9.351 40.923 1.00 13.83 ? 166 PRO B N 1 ATOM 6068 C CA . PRO B 1 166 ? -4.924 -9.531 39.940 1.00 15.73 ? 166 PRO B CA 1 ATOM 6069 C C . PRO B 1 166 ? -5.185 -10.683 38.972 1.00 15.00 ? 166 PRO B C 1 ATOM 6070 O O . PRO B 1 166 ? -4.858 -10.585 37.803 1.00 14.43 ? 166 PRO B O 1 ATOM 6071 C CB . PRO B 1 166 ? -3.684 -9.792 40.805 1.00 14.80 ? 166 PRO B CB 1 ATOM 6072 C CG . PRO B 1 166 ? -3.997 -9.068 42.101 1.00 17.01 ? 166 PRO B CG 1 ATOM 6073 C CD . PRO B 1 166 ? -5.475 -9.233 42.306 1.00 17.06 ? 166 PRO B CD 1 ATOM 6074 H HA . PRO B 1 166 ? -4.791 -8.705 39.429 1.00 18.87 ? 166 PRO B HA 1 ATOM 6075 H HB2 . PRO B 1 166 ? -3.579 -10.745 40.955 1.00 17.75 ? 166 PRO B HB2 1 ATOM 6076 H HB3 . PRO B 1 166 ? -2.897 -9.418 40.379 1.00 17.75 ? 166 PRO B HB3 1 ATOM 6077 H HG2 . PRO B 1 166 ? -3.503 -9.476 42.830 1.00 20.40 ? 166 PRO B HG2 1 ATOM 6078 H HG3 . PRO B 1 166 ? -3.767 -8.130 42.014 1.00 20.40 ? 166 PRO B HG3 1 ATOM 6079 H HD2 . PRO B 1 166 ? -5.660 -10.043 42.807 1.00 20.46 ? 166 PRO B HD2 1 ATOM 6080 H HD3 . PRO B 1 166 ? -5.847 -8.450 42.742 1.00 20.46 ? 166 PRO B HD3 1 ATOM 6081 N N . GLU B 1 167 ? -5.773 -11.774 39.439 1.00 14.89 ? 167 GLU B N 1 ATOM 6082 C CA . GLU B 1 167 ? -5.924 -12.905 38.552 1.00 15.11 ? 167 GLU B CA 1 ATOM 6083 C C . GLU B 1 167 ? -6.878 -12.564 37.393 1.00 13.85 ? 167 GLU B C 1 ATOM 6084 O O . GLU B 1 167 ? -6.707 -13.044 36.275 1.00 15.26 ? 167 GLU B O 1 ATOM 6085 C CB . GLU B 1 167 ? -6.386 -14.155 39.323 1.00 17.98 ? 167 GLU B CB 1 ATOM 6086 C CG . GLU B 1 167 ? -7.674 -14.010 40.093 1.00 21.48 ? 167 GLU B CG 1 ATOM 6087 C CD . GLU B 1 167 ? -7.502 -13.465 41.538 1.00 21.35 ? 167 GLU B CD 1 ATOM 6088 O OE1 . GLU B 1 167 ? -8.434 -13.709 42.351 1.00 29.36 ? 167 GLU B OE1 1 ATOM 6089 O OE2 . GLU B 1 167 ? -6.468 -12.819 41.889 1.00 20.80 ? 167 GLU B OE2 1 ATOM 6090 H H . GLU B 1 167 ? -6.082 -11.880 40.234 1.00 17.86 ? 167 GLU B H 1 ATOM 6091 H HA . GLU B 1 167 ? -5.049 -13.109 38.161 1.00 18.12 ? 167 GLU B HA 1 ATOM 6092 H HB2 . GLU B 1 167 ? -6.507 -14.879 38.689 1.00 21.57 ? 167 GLU B HB2 1 ATOM 6093 H HB3 . GLU B 1 167 ? -5.694 -14.395 39.959 1.00 21.57 ? 167 GLU B HB3 1 ATOM 6094 H HG2 . GLU B 1 167 ? -8.254 -13.396 39.614 1.00 25.77 ? 167 GLU B HG2 1 ATOM 6095 H HG3 . GLU B 1 167 ? -8.099 -14.880 40.154 1.00 25.77 ? 167 GLU B HG3 1 ATOM 6096 N N . ASN B 1 168 ? -7.865 -11.707 37.663 1.00 13.25 ? 168 ASN B N 1 ATOM 6097 C CA . ASN B 1 168 ? -8.820 -11.342 36.632 1.00 13.64 ? 168 ASN B CA 1 ATOM 6098 C C . ASN B 1 168 ? -8.196 -10.314 35.677 1.00 12.74 ? 168 ASN B C 1 ATOM 6099 O O . ASN B 1 168 ? -8.543 -10.266 34.492 1.00 12.72 ? 168 ASN B O 1 ATOM 6100 C CB . ASN B 1 168 ? -10.069 -10.746 37.234 1.00 14.12 ? 168 ASN B CB 1 ATOM 6101 C CG . ASN B 1 168 ? -10.958 -11.775 37.912 1.00 18.63 ? 168 ASN B CG 1 ATOM 6102 O OD1 . ASN B 1 168 ? -10.772 -13.001 37.772 1.00 25.94 ? 168 ASN B OD1 1 ATOM 6103 N ND2 . ASN B 1 168 ? -11.901 -11.278 38.687 1.00 17.76 ? 168 ASN B ND2 1 ATOM 6104 H H . ASN B 1 168 ? -7.997 -11.330 38.425 1.00 15.88 ? 168 ASN B H 1 ATOM 6105 H HA . ASN B 1 168 ? -9.069 -12.137 36.117 1.00 16.36 ? 168 ASN B HA 1 ATOM 6106 H HB2 . ASN B 1 168 ? -9.814 -10.087 37.899 1.00 16.93 ? 168 ASN B HB2 1 ATOM 6107 H HB3 . ASN B 1 168 ? -10.586 -10.322 36.531 1.00 16.93 ? 168 ASN B HB3 1 ATOM 6108 H HD21 . ASN B 1 168 ? -12.515 -11.879 39.159 1.00 21.30 ? 168 ASN B HD21 1 ATOM 6109 H HD22 . ASN B 1 168 ? -11.989 -10.308 38.791 1.00 21.30 ? 168 ASN B HD22 1 ATOM 6110 N N . ILE B 1 169 ? -7.307 -9.480 36.199 1.00 12.21 ? 169 ILE B N 1 ATOM 6111 C CA A ILE B 1 169 ? -6.548 -8.547 35.373 0.50 11.77 ? 169 ILE B CA 1 ATOM 6112 C CA B ILE B 1 169 ? -6.585 -8.555 35.351 0.50 12.07 ? 169 ILE B CA 1 ATOM 6113 C C . ILE B 1 169 ? -5.692 -9.333 34.391 1.00 10.95 ? 169 ILE B C 1 ATOM 6114 O O . ILE B 1 169 ? -5.666 -9.055 33.207 1.00 12.37 ? 169 ILE B O 1 ATOM 6115 C CB A ILE B 1 169 ? -5.649 -7.629 36.242 0.50 12.30 ? 169 ILE B CB 1 ATOM 6116 C CB B ILE B 1 169 ? -5.786 -7.553 36.191 0.50 11.99 ? 169 ILE B CB 1 ATOM 6117 C CG1 A ILE B 1 169 ? -6.503 -6.720 37.127 0.50 15.54 ? 169 ILE B CG1 1 ATOM 6118 C CG1 B ILE B 1 169 ? -6.750 -6.707 37.018 0.50 13.83 ? 169 ILE B CG1 1 ATOM 6119 C CG2 A ILE B 1 169 ? -4.710 -6.807 35.368 0.50 11.70 ? 169 ILE B CG2 1 ATOM 6120 C CG2 B ILE B 1 169 ? -4.947 -6.670 35.305 0.50 11.75 ? 169 ILE B CG2 1 ATOM 6121 C CD1 A ILE B 1 169 ? -7.169 -5.577 36.396 0.50 17.08 ? 169 ILE B CD1 1 ATOM 6122 C CD1 B ILE B 1 169 ? -6.054 -5.872 38.047 0.50 12.15 ? 169 ILE B CD1 1 ATOM 6123 H H A ILE B 1 169 ? -7.122 -9.434 37.038 0.50 14.64 ? 169 ILE B H 1 ATOM 6124 H H B ILE B 1 169 ? -7.107 -9.433 37.034 0.50 14.64 ? 169 ILE B H 1 ATOM 6125 H HA A ILE B 1 169 ? -7.168 -7.984 34.864 0.50 14.12 ? 169 ILE B HA 1 ATOM 6126 H HA B ILE B 1 169 ? -7.230 -8.049 34.815 0.50 14.47 ? 169 ILE B HA 1 ATOM 6127 H HB A ILE B 1 169 ? -5.110 -8.192 36.818 0.50 14.74 ? 169 ILE B HB 1 ATOM 6128 H HB B ILE B 1 169 ? -5.202 -8.042 36.792 0.50 14.38 ? 169 ILE B HB 1 ATOM 6129 H HG12 A ILE B 1 169 ? -7.202 -7.254 37.536 0.50 18.63 ? 169 ILE B HG12 1 ATOM 6130 H HG12 B ILE B 1 169 ? -7.235 -6.111 36.426 0.50 16.58 ? 169 ILE B HG12 1 ATOM 6131 H HG13 A ILE B 1 169 ? -5.938 -6.339 37.817 0.50 18.63 ? 169 ILE B HG13 1 ATOM 6132 H HG13 B ILE B 1 169 ? -7.370 -7.295 37.478 0.50 16.58 ? 169 ILE B HG13 1 ATOM 6133 H HG21 A ILE B 1 169 ? -4.168 -6.250 35.931 0.50 14.02 ? 169 ILE B HG21 1 ATOM 6134 H HG21 B ILE B 1 169 ? -4.457 -6.053 35.853 0.50 14.09 ? 169 ILE B HG21 1 ATOM 6135 H HG22 A ILE B 1 169 ? -4.153 -7.403 34.862 0.50 14.02 ? 169 ILE B HG22 1 ATOM 6136 H HG22 B ILE B 1 169 ? -4.338 -7.218 34.804 0.50 14.09 ? 169 ILE B HG22 1 ATOM 6137 H HG23 A ILE B 1 169 ? -5.233 -6.263 34.774 0.50 14.02 ? 169 ILE B HG23 1 ATOM 6138 H HG23 B ILE B 1 169 ? -5.524 -6.191 34.706 0.50 14.09 ? 169 ILE B HG23 1 ATOM 6139 H HD11 A ILE B 1 169 ? -7.681 -5.062 37.023 0.50 20.48 ? 169 ILE B HD11 1 ATOM 6140 H HD11 B ILE B 1 169 ? -6.709 -5.365 38.533 0.50 14.57 ? 169 ILE B HD11 1 ATOM 6141 H HD12 A ILE B 1 169 ? -6.492 -5.027 35.995 0.50 20.48 ? 169 ILE B HD12 1 ATOM 6142 H HD12 B ILE B 1 169 ? -5.576 -6.449 38.647 0.50 14.57 ? 169 ILE B HD12 1 ATOM 6143 H HD13 A ILE B 1 169 ? -7.746 -5.934 35.717 0.50 20.48 ? 169 ILE B HD13 1 ATOM 6144 H HD13 B ILE B 1 169 ? -5.442 -5.278 37.606 0.50 14.57 ? 169 ILE B HD13 1 ATOM 6145 N N . LEU B 1 170 ? -4.984 -10.354 34.901 1.00 12.81 ? 170 LEU B N 1 ATOM 6146 C CA A LEU B 1 170 ? -4.137 -11.168 34.043 0.60 13.60 ? 170 LEU B CA 1 ATOM 6147 C CA B LEU B 1 170 ? -4.131 -11.154 34.042 0.40 13.80 ? 170 LEU B CA 1 ATOM 6148 C C . LEU B 1 170 ? -4.965 -11.896 32.984 1.00 13.26 ? 170 LEU B C 1 ATOM 6149 O O . LEU B 1 170 ? -4.564 -11.980 31.829 1.00 12.89 ? 170 LEU B O 1 ATOM 6150 C CB A LEU B 1 170 ? -3.323 -12.159 34.877 0.60 17.01 ? 170 LEU B CB 1 ATOM 6151 C CB B LEU B 1 170 ? -3.271 -12.103 34.883 0.40 18.16 ? 170 LEU B CB 1 ATOM 6152 C CG A LEU B 1 170 ? -2.194 -11.494 35.667 0.60 24.90 ? 170 LEU B CG 1 ATOM 6153 C CG B LEU B 1 170 ? -1.930 -11.472 35.294 0.40 26.39 ? 170 LEU B CG 1 ATOM 6154 C CD1 A LEU B 1 170 ? -1.334 -12.566 36.320 0.60 32.28 ? 170 LEU B CD1 1 ATOM 6155 C CD1 B LEU B 1 170 ? -2.089 -10.064 35.915 0.40 24.79 ? 170 LEU B CD1 1 ATOM 6156 C CD2 A LEU B 1 170 ? -1.308 -10.568 34.794 0.60 25.88 ? 170 LEU B CD2 1 ATOM 6157 C CD2 B LEU B 1 170 ? -1.164 -12.396 36.235 0.40 30.58 ? 170 LEU B CD2 1 ATOM 6158 H H A LEU B 1 170 ? -4.982 -10.586 35.729 0.60 15.36 ? 170 LEU B H 1 ATOM 6159 H H B LEU B 1 170 ? -4.986 -10.592 35.727 0.40 15.36 ? 170 LEU B H 1 ATOM 6160 H HA A LEU B 1 170 ? -3.506 -10.582 33.577 0.60 16.31 ? 170 LEU B HA 1 ATOM 6161 H HA B LEU B 1 170 ? -3.522 -10.553 33.565 0.40 16.55 ? 170 LEU B HA 1 ATOM 6162 H HB2 A LEU B 1 170 ? -3.914 -12.597 35.510 0.60 20.40 ? 170 LEU B HB2 1 ATOM 6163 H HB2 B LEU B 1 170 ? -3.754 -12.336 35.691 0.40 21.78 ? 170 LEU B HB2 1 ATOM 6164 H HB3 A LEU B 1 170 ? -2.927 -12.817 34.285 0.60 20.40 ? 170 LEU B HB3 1 ATOM 6165 H HB3 B LEU B 1 170 ? -3.082 -12.902 34.366 0.40 21.78 ? 170 LEU B HB3 1 ATOM 6166 H HG A LEU B 1 170 ? -2.582 -10.953 36.373 0.60 29.87 ? 170 LEU B HG 1 ATOM 6167 H HG B LEU B 1 170 ? -1.390 -11.370 34.495 0.40 31.66 ? 170 LEU B HG 1 ATOM 6168 H HD11 A LEU B 1 170 ? -0.629 -12.143 36.814 0.60 38.73 ? 170 LEU B HD11 1 ATOM 6169 H HD11 B LEU B 1 170 ? -1.221 -9.726 36.149 0.40 29.74 ? 170 LEU B HD11 1 ATOM 6170 H HD12 A LEU B 1 170 ? -1.882 -13.087 36.913 0.60 38.73 ? 170 LEU B HD12 1 ATOM 6171 H HD12 B LEU B 1 170 ? -2.503 -9.484 35.271 0.40 29.74 ? 170 LEU B HD12 1 ATOM 6172 H HD13 A LEU B 1 170 ? -0.964 -13.129 35.637 0.60 38.73 ? 170 LEU B HD13 1 ATOM 6173 H HD13 B LEU B 1 170 ? -2.638 -10.128 36.699 0.40 29.74 ? 170 LEU B HD13 1 ATOM 6174 H HD21 A LEU B 1 170 ? -0.622 -10.183 35.344 0.60 31.05 ? 170 LEU B HD21 1 ATOM 6175 H HD21 B LEU B 1 170 ? -0.334 -11.978 36.475 0.40 36.68 ? 170 LEU B HD21 1 ATOM 6176 H HD22 A LEU B 1 170 ? -0.911 -11.088 34.091 0.60 31.05 ? 170 LEU B HD22 1 ATOM 6177 H HD22 B LEU B 1 170 ? -1.693 -12.548 37.022 0.40 36.68 ? 170 LEU B HD22 1 ATOM 6178 H HD23 A LEU B 1 170 ? -1.855 -9.874 34.419 0.60 31.05 ? 170 LEU B HD23 1 ATOM 6179 H HD23 B LEU B 1 170 ? -0.995 -13.228 35.787 0.40 36.68 ? 170 LEU B HD23 1 ATOM 6180 N N . SER B 1 171 ? -6.133 -12.397 33.367 1.00 12.96 ? 171 SER B N 1 ATOM 6181 C CA . SER B 1 171 ? -7.035 -13.019 32.380 1.00 12.61 ? 171 SER B CA 1 ATOM 6182 C C . SER B 1 171 ? -7.373 -12.055 31.248 1.00 14.99 ? 171 SER B C 1 ATOM 6183 O O . SER B 1 171 ? -7.355 -12.410 30.089 1.00 14.79 ? 171 SER B O 1 ATOM 6184 C CB . SER B 1 171 ? -8.327 -13.479 33.055 1.00 16.18 ? 171 SER B CB 1 ATOM 6185 O OG . SER B 1 171 ? -8.074 -14.558 33.941 1.00 21.84 ? 171 SER B OG 1 ATOM 6186 H H . SER B 1 171 ? -6.430 -12.394 34.174 1.00 15.53 ? 171 SER B H 1 ATOM 6187 H HA . SER B 1 171 ? -6.596 -13.804 31.992 1.00 15.12 ? 171 SER B HA 1 ATOM 6188 H HB2 . SER B 1 171 ? -8.703 -12.739 33.557 1.00 19.41 ? 171 SER B HB2 1 ATOM 6189 H HB3 . SER B 1 171 ? -8.953 -13.770 32.373 1.00 19.41 ? 171 SER B HB3 1 ATOM 6190 H HG . SER B 1 171 ? -8.772 -14.797 34.298 1.00 26.20 ? 171 SER B HG 1 ATOM 6191 N N . ALA B 1 172 ? -7.716 -10.824 31.581 1.00 14.82 ? 172 ALA B N 1 ATOM 6192 C CA . ALA B 1 172 ? -7.996 -9.839 30.543 1.00 12.77 ? 172 ALA B CA 1 ATOM 6193 C C . ALA B 1 172 ? -6.773 -9.609 29.638 1.00 12.96 ? 172 ALA B C 1 ATOM 6194 O O . ALA B 1 172 ? -6.878 -9.613 28.407 1.00 13.66 ? 172 ALA B O 1 ATOM 6195 C CB . ALA B 1 172 ? -8.455 -8.534 31.201 1.00 10.98 ? 172 ALA B CB 1 ATOM 6196 H H . ALA B 1 172 ? -7.795 -10.533 32.386 1.00 17.77 ? 172 ALA B H 1 ATOM 6197 H HA . ALA B 1 172 ? -8.729 -10.168 29.982 1.00 15.31 ? 172 ALA B HA 1 ATOM 6198 H HB1 . ALA B 1 172 ? -8.638 -7.887 30.516 1.00 13.16 ? 172 ALA B HB1 1 ATOM 6199 H HB2 . ALA B 1 172 ? -9.249 -8.704 31.713 1.00 13.16 ? 172 ALA B HB2 1 ATOM 6200 H HB3 . ALA B 1 172 ? -7.757 -8.213 31.777 1.00 13.16 ? 172 ALA B HB3 1 ATOM 6201 N N . TYR B 1 173 ? -5.605 -9.438 30.250 1.00 13.06 ? 173 TYR B N 1 ATOM 6202 C CA . TYR B 1 173 ? -4.369 -9.210 29.492 1.00 10.73 ? 173 TYR B CA 1 ATOM 6203 C C . TYR B 1 173 ? -4.118 -10.379 28.530 1.00 13.05 ? 173 TYR B C 1 ATOM 6204 O O . TYR B 1 173 ? -3.717 -10.178 27.387 1.00 14.37 ? 173 TYR B O 1 ATOM 6205 C CB . TYR B 1 173 ? -3.211 -9.041 30.481 1.00 13.21 ? 173 TYR B CB 1 ATOM 6206 C CG . TYR B 1 173 ? -1.837 -8.971 29.856 1.00 12.43 ? 173 TYR B CG 1 ATOM 6207 C CD1 . TYR B 1 173 ? -1.555 -8.135 28.808 1.00 13.72 ? 173 TYR B CD1 1 ATOM 6208 C CD2 . TYR B 1 173 ? -0.829 -9.797 30.318 1.00 17.27 ? 173 TYR B CD2 1 ATOM 6209 C CE1 . TYR B 1 173 ? -0.292 -8.069 28.255 1.00 16.22 ? 173 TYR B CE1 1 ATOM 6210 C CE2 . TYR B 1 173 ? 0.415 -9.755 29.759 1.00 18.41 ? 173 TYR B CE2 1 ATOM 6211 C CZ . TYR B 1 173 ? 0.681 -8.894 28.736 1.00 19.62 ? 173 TYR B CZ 1 ATOM 6212 O OH . TYR B 1 173 ? 1.947 -8.860 28.191 1.00 24.02 ? 173 TYR B OH 1 ATOM 6213 H H . TYR B 1 173 ? -5.498 -9.448 31.103 1.00 15.66 ? 173 TYR B H 1 ATOM 6214 H HA . TYR B 1 173 ? -4.453 -8.387 28.967 1.00 12.86 ? 173 TYR B HA 1 ATOM 6215 H HB2 . TYR B 1 173 ? -3.348 -8.220 30.978 1.00 15.84 ? 173 TYR B HB2 1 ATOM 6216 H HB3 . TYR B 1 173 ? -3.215 -9.795 31.091 1.00 15.84 ? 173 TYR B HB3 1 ATOM 6217 H HD1 . TYR B 1 173 ? -2.219 -7.567 28.490 1.00 16.45 ? 173 TYR B HD1 1 ATOM 6218 H HD2 . TYR B 1 173 ? -0.999 -10.383 31.019 1.00 20.72 ? 173 TYR B HD2 1 ATOM 6219 H HE1 . TYR B 1 173 ? -0.115 -7.489 27.550 1.00 19.45 ? 173 TYR B HE1 1 ATOM 6220 H HE2 . TYR B 1 173 ? 1.089 -10.306 30.087 1.00 22.08 ? 173 TYR B HE2 1 ATOM 6221 H HH . TYR B 1 173 ? 2.139 -9.596 27.884 1.00 28.82 ? 173 TYR B HH 1 ATOM 6222 N N . GLN B 1 174 ? -4.373 -11.589 29.009 1.00 14.00 ? 174 GLN B N 1 ATOM 6223 C CA . GLN B 1 174 ? -4.138 -12.784 28.216 1.00 16.58 ? 174 GLN B CA 1 ATOM 6224 C C . GLN B 1 174 ? -5.197 -13.082 27.180 1.00 20.31 ? 174 GLN B C 1 ATOM 6225 O O . GLN B 1 174 ? -5.046 -14.045 26.403 1.00 24.21 ? 174 GLN B O 1 ATOM 6226 C CB . GLN B 1 174 ? -4.027 -13.996 29.146 1.00 17.19 ? 174 GLN B CB 1 ATOM 6227 C CG . GLN B 1 174 ? -2.778 -14.003 30.005 1.00 20.40 ? 174 GLN B CG 1 ATOM 6228 C CD . GLN B 1 174 ? -2.926 -14.910 31.222 1.00 31.33 ? 174 GLN B CD 1 ATOM 6229 O OE1 . GLN B 1 174 ? -3.910 -15.651 31.352 1.00 31.06 ? 174 GLN B OE1 1 ATOM 6230 N NE2 . GLN B 1 174 ? -1.964 -14.834 32.134 1.00 39.19 ? 174 GLN B NE2 1 ATOM 6231 H H . GLN B 1 174 ? -4.683 -11.744 29.796 1.00 16.79 ? 174 GLN B H 1 ATOM 6232 H HA . GLN B 1 174 ? -3.283 -12.687 27.748 1.00 19.89 ? 174 GLN B HA 1 ATOM 6233 H HB2 . GLN B 1 174 ? -4.794 -14.005 29.739 1.00 20.62 ? 174 GLN B HB2 1 ATOM 6234 H HB3 . GLN B 1 174 ? -4.020 -14.803 28.607 1.00 20.62 ? 174 GLN B HB3 1 ATOM 6235 H HG2 . GLN B 1 174 ? -2.030 -14.325 29.477 1.00 24.46 ? 174 GLN B HG2 1 ATOM 6236 H HG3 . GLN B 1 174 ? -2.602 -13.102 30.319 1.00 24.46 ? 174 GLN B HG3 1 ATOM 6237 H HE21 . GLN B 1 174 ? -2.000 -15.324 32.839 1.00 47.02 ? 174 GLN B HE21 1 ATOM 6238 H HE22 . GLN B 1 174 ? -1.305 -14.293 32.019 1.00 47.02 ? 174 GLN B HE22 1 ATOM 6239 N N . GLY B 1 175 ? -6.271 -12.308 27.166 1.00 16.28 ? 175 GLY B N 1 ATOM 6240 C CA . GLY B 1 175 ? -7.297 -12.441 26.145 1.00 16.98 ? 175 GLY B CA 1 ATOM 6241 C C . GLY B 1 175 ? -8.478 -13.318 26.548 1.00 16.27 ? 175 GLY B C 1 ATOM 6242 O O . GLY B 1 175 ? -9.270 -13.711 25.689 1.00 20.20 ? 175 GLY B O 1 ATOM 6243 H H . GLY B 1 175 ? -6.431 -11.691 27.743 1.00 19.52 ? 175 GLY B H 1 ATOM 6244 H HA2 . GLY B 1 175 ? -7.639 -11.560 25.924 1.00 20.36 ? 175 GLY B HA2 1 ATOM 6245 H HA3 . GLY B 1 175 ? -6.900 -12.820 25.345 1.00 20.36 ? 175 GLY B HA3 1 ATOM 6246 N N . THR B 1 176 ? -8.607 -13.619 27.840 1.00 14.76 ? 176 THR B N 1 ATOM 6247 C CA . THR B 1 176 ? -9.750 -14.351 28.377 1.00 16.59 ? 176 THR B CA 1 ATOM 6248 C C . THR B 1 176 ? -10.416 -13.572 29.520 1.00 16.18 ? 176 THR B C 1 ATOM 6249 O O . THR B 1 176 ? -10.521 -14.051 30.635 1.00 18.17 ? 176 THR B O 1 ATOM 6250 C CB . THR B 1 176 ? -9.345 -15.748 28.865 1.00 21.52 ? 176 THR B CB 1 ATOM 6251 O OG1 . THR B 1 176 ? -8.317 -15.646 29.860 1.00 23.11 ? 176 THR B OG1 1 ATOM 6252 C CG2 . THR B 1 176 ? -8.807 -16.563 27.692 1.00 25.78 ? 176 THR B CG2 1 ATOM 6253 H H . THR B 1 176 ? -8.029 -13.403 28.439 1.00 17.69 ? 176 THR B H 1 ATOM 6254 H HA . THR B 1 176 ? -10.414 -14.464 27.666 1.00 19.90 ? 176 THR B HA 1 ATOM 6255 H HB . THR B 1 176 ? -10.117 -16.204 29.235 1.00 25.81 ? 176 THR B HB 1 ATOM 6256 H HG1 . THR B 1 176 ? -8.102 -16.394 30.119 1.00 27.72 ? 176 THR B HG1 1 ATOM 6257 H HG21 . THR B 1 176 ? -8.552 -17.439 27.991 1.00 30.92 ? 176 THR B HG21 1 ATOM 6258 H HG22 . THR B 1 176 ? -9.483 -16.649 27.015 1.00 30.92 ? 176 THR B HG22 1 ATOM 6259 H HG23 . THR B 1 176 ? -8.040 -16.127 27.313 1.00 30.92 ? 176 THR B HG23 1 ATOM 6260 N N . PRO B 1 177 ? -10.888 -12.345 29.238 1.00 15.17 ? 177 PRO B N 1 ATOM 6261 C CA . PRO B 1 177 ? -11.538 -11.563 30.293 1.00 13.48 ? 177 PRO B CA 1 ATOM 6262 C C . PRO B 1 177 ? -12.835 -12.169 30.793 1.00 15.77 ? 177 PRO B C 1 ATOM 6263 O O . PRO B 1 177 ? -13.580 -12.838 30.067 1.00 18.87 ? 177 PRO B O 1 ATOM 6264 C CB . PRO B 1 177 ? -11.826 -10.217 29.606 1.00 15.40 ? 177 PRO B CB 1 ATOM 6265 C CG . PRO B 1 177 ? -11.941 -10.590 28.141 1.00 15.35 ? 177 PRO B CG 1 ATOM 6266 C CD . PRO B 1 177 ? -10.898 -11.657 27.939 1.00 17.05 ? 177 PRO B CD 1 ATOM 6267 H HA . PRO B 1 177 ? -10.927 -11.424 31.047 1.00 16.16 ? 177 PRO B HA 1 ATOM 6268 H HB2 . PRO B 1 177 ? -12.659 -9.846 29.938 1.00 18.46 ? 177 PRO B HB2 1 ATOM 6269 H HB3 . PRO B 1 177 ? -11.088 -9.605 29.753 1.00 18.46 ? 177 PRO B HB3 1 ATOM 6270 H HG2 . PRO B 1 177 ? -12.828 -10.937 27.959 1.00 18.41 ? 177 PRO B HG2 1 ATOM 6271 H HG3 . PRO B 1 177 ? -11.753 -9.816 27.588 1.00 18.41 ? 177 PRO B HG3 1 ATOM 6272 H HD2 . PRO B 1 177 ? -11.166 -12.266 27.233 1.00 20.45 ? 177 PRO B HD2 1 ATOM 6273 H HD3 . PRO B 1 177 ? -10.033 -11.257 27.759 1.00 20.45 ? 177 PRO B HD3 1 ATOM 6274 N N . LEU B 1 178 ? -13.103 -11.914 32.056 1.00 15.95 ? 178 LEU B N 1 ATOM 6275 C CA . LEU B 1 178 ? -14.422 -12.187 32.602 1.00 17.76 ? 178 LEU B CA 1 ATOM 6276 C C . LEU B 1 178 ? -15.441 -11.259 31.938 1.00 21.66 ? 178 LEU B C 1 ATOM 6277 O O . LEU B 1 178 ? -15.163 -10.106 31.701 1.00 17.63 ? 178 LEU B O 1 ATOM 6278 C CB . LEU B 1 178 ? -14.378 -11.961 34.102 1.00 22.36 ? 178 LEU B CB 1 ATOM 6279 C CG . LEU B 1 178 ? -13.802 -13.179 34.832 1.00 33.55 ? 178 LEU B CG 1 ATOM 6280 C CD1 . LEU B 1 178 ? -12.271 -13.225 34.700 1.00 30.92 ? 178 LEU B CD1 1 ATOM 6281 C CD2 . LEU B 1 178 ? -14.231 -13.162 36.290 1.00 44.11 ? 178 LEU B CD2 1 ATOM 6282 H H . LEU B 1 178 ? -12.544 -11.584 32.621 1.00 19.12 ? 178 LEU B H 1 ATOM 6283 H HA . LEU B 1 178 ? -14.673 -13.118 32.425 1.00 21.30 ? 178 LEU B HA 1 ATOM 6284 H HB2 . LEU B 1 178 ? -13.814 -11.196 34.295 1.00 26.83 ? 178 LEU B HB2 1 ATOM 6285 H HB3 . LEU B 1 178 ? -15.278 -11.807 34.430 1.00 26.83 ? 178 LEU B HB3 1 ATOM 6286 H HG . LEU B 1 178 ? -14.159 -13.985 34.427 1.00 40.25 ? 178 LEU B HG 1 ATOM 6287 H HD11 . LEU B 1 178 ? -11.940 -13.996 35.166 1.00 37.09 ? 178 LEU B HD11 1 ATOM 6288 H HD12 . LEU B 1 178 ? -12.039 -13.279 33.770 1.00 37.09 ? 178 LEU B HD12 1 ATOM 6289 H HD13 . LEU B 1 178 ? -11.900 -12.427 35.084 1.00 37.09 ? 178 LEU B HD13 1 ATOM 6290 H HD21 . LEU B 1 178 ? -13.863 -13.930 36.732 1.00 52.92 ? 178 LEU B HD21 1 ATOM 6291 H HD22 . LEU B 1 178 ? -13.905 -12.359 36.701 1.00 52.92 ? 178 LEU B HD22 1 ATOM 6292 H HD23 . LEU B 1 178 ? -15.189 -13.187 36.333 1.00 52.92 ? 178 LEU B HD23 1 ATOM 6293 N N . PRO B 1 179 ? -16.626 -11.763 31.610 1.00 19.17 ? 179 PRO B N 1 ATOM 6294 C CA . PRO B 1 179 ? -17.678 -10.890 31.077 1.00 16.43 ? 179 PRO B CA 1 ATOM 6295 C C . PRO B 1 179 ? -17.871 -9.664 31.966 1.00 13.90 ? 179 PRO B C 1 ATOM 6296 O O . PRO B 1 179 ? -17.763 -9.707 33.198 1.00 14.60 ? 179 PRO B O 1 ATOM 6297 C CB . PRO B 1 179 ? -18.928 -11.785 31.076 1.00 26.96 ? 179 PRO B CB 1 ATOM 6298 C CG . PRO B 1 179 ? -18.368 -13.204 31.000 1.00 34.13 ? 179 PRO B CG 1 ATOM 6299 C CD . PRO B 1 179 ? -17.076 -13.159 31.778 1.00 29.73 ? 179 PRO B CD 1 ATOM 6300 H HA . PRO B 1 179 ? -17.468 -10.609 30.162 1.00 19.71 ? 179 PRO B HA 1 ATOM 6301 H HB2 . PRO B 1 179 ? -19.429 -11.654 31.896 1.00 32.34 ? 179 PRO B HB2 1 ATOM 6302 H HB3 . PRO B 1 179 ? -19.475 -11.587 30.300 1.00 32.34 ? 179 PRO B HB3 1 ATOM 6303 H HG2 . PRO B 1 179 ? -18.993 -13.824 31.408 1.00 40.95 ? 179 PRO B HG2 1 ATOM 6304 H HG3 . PRO B 1 179 ? -18.203 -13.441 30.074 1.00 40.95 ? 179 PRO B HG3 1 ATOM 6305 H HD2 . PRO B 1 179 ? -17.238 -13.352 32.715 1.00 35.66 ? 179 PRO B HD2 1 ATOM 6306 H HD3 . PRO B 1 179 ? -16.429 -13.771 31.395 1.00 35.66 ? 179 PRO B HD3 1 ATOM 6307 N N . ALA B 1 180 ? -18.117 -8.544 31.293 1.00 13.32 ? 180 ALA B N 1 ATOM 6308 C CA . ALA B 1 180 ? -18.085 -7.234 31.923 1.00 11.76 ? 180 ALA B CA 1 ATOM 6309 C C . ALA B 1 180 ? -19.455 -6.602 31.783 1.00 12.65 ? 180 ALA B C 1 ATOM 6310 O O . ALA B 1 180 ? -20.108 -6.759 30.738 1.00 17.97 ? 180 ALA B O 1 ATOM 6311 C CB . ALA B 1 180 ? -17.044 -6.360 31.248 1.00 11.91 ? 180 ALA B CB 1 ATOM 6312 H H . ALA B 1 180 ? -18.309 -8.519 30.455 1.00 15.97 ? 180 ALA B H 1 ATOM 6313 H HA . ALA B 1 180 ? -17.866 -7.321 32.874 1.00 14.10 ? 180 ALA B HA 1 ATOM 6314 H HB1 . ALA B 1 180 ? -17.035 -5.500 31.675 1.00 14.28 ? 180 ALA B HB1 1 ATOM 6315 H HB2 . ALA B 1 180 ? -16.184 -6.777 31.333 1.00 14.28 ? 180 ALA B HB2 1 ATOM 6316 H HB3 . ALA B 1 180 ? -17.271 -6.263 30.321 1.00 14.28 ? 180 ALA B HB3 1 ATOM 6317 N N . ASN B 1 181 ? -19.855 -5.832 32.790 1.00 9.94 ? 181 ASN B N 1 ATOM 6318 C CA . ASN B 1 181 ? -21.244 -5.382 32.891 1.00 9.83 ? 181 ASN B CA 1 ATOM 6319 C C . ASN B 1 181 ? -21.508 -3.924 32.601 1.00 13.54 ? 181 ASN B C 1 ATOM 6320 O O . ASN B 1 181 ? -22.670 -3.539 32.406 1.00 20.24 ? 181 ASN B O 1 ATOM 6321 C CB . ASN B 1 181 ? -21.859 -5.806 34.254 1.00 11.06 ? 181 ASN B CB 1 ATOM 6322 C CG . ASN B 1 181 ? -21.143 -5.240 35.470 1.00 13.96 ? 181 ASN B CG 1 ATOM 6323 O OD1 . ASN B 1 181 ? -20.053 -4.644 35.385 1.00 12.84 ? 181 ASN B OD1 1 ATOM 6324 N ND2 . ASN B 1 181 ? -21.746 -5.456 36.649 1.00 17.73 ? 181 ASN B ND2 1 ATOM 6325 H H . ASN B 1 181 ? -19.346 -5.556 33.426 1.00 11.92 ? 181 ASN B H 1 ATOM 6326 H HA . ASN B 1 181 ? -21.744 -5.877 32.209 1.00 11.79 ? 181 ASN B HA 1 ATOM 6327 H HB2 . ASN B 1 181 ? -22.780 -5.503 34.286 1.00 13.26 ? 181 ASN B HB2 1 ATOM 6328 H HB3 . ASN B 1 181 ? -21.832 -6.774 34.319 1.00 13.26 ? 181 ASN B HB3 1 ATOM 6329 H HD21 . ASN B 1 181 ? -21.341 -5.120 37.475 1.00 21.27 ? 181 ASN B HD21 1 ATOM 6330 H HD22 . ASN B 1 181 ? -22.591 -5.950 36.683 1.00 21.27 ? 181 ASN B HD22 1 ATOM 6331 N N . ILE B 1 182 ? -20.474 -3.094 32.512 1.00 8.85 ? 182 ILE B N 1 ATOM 6332 C CA . ILE B 1 182 ? -20.716 -1.716 32.119 1.00 9.48 ? 182 ILE B CA 1 ATOM 6333 C C . ILE B 1 182 ? -20.498 -1.584 30.599 1.00 10.26 ? 182 ILE B C 1 ATOM 6334 O O . ILE B 1 182 ? -21.367 -1.031 29.887 1.00 10.99 ? 182 ILE B O 1 ATOM 6335 C CB . ILE B 1 182 ? -19.803 -0.761 32.871 1.00 8.39 ? 182 ILE B CB 1 ATOM 6336 C CG1 . ILE B 1 182 ? -20.034 -0.869 34.387 1.00 10.80 ? 182 ILE B CG1 1 ATOM 6337 C CG2 . ILE B 1 182 ? -20.052 0.670 32.435 1.00 12.12 ? 182 ILE B CG2 1 ATOM 6338 C CD1 . ILE B 1 182 ? -19.133 0.055 35.201 1.00 11.82 ? 182 ILE B CD1 1 ATOM 6339 H H . ILE B 1 182 ? -19.653 -3.295 32.667 1.00 10.61 ? 182 ILE B H 1 ATOM 6340 H HA . ILE B 1 182 ? -21.645 -1.479 32.320 1.00 11.36 ? 182 ILE B HA 1 ATOM 6341 H HB . ILE B 1 182 ? -18.880 -0.992 32.678 1.00 10.05 ? 182 ILE B HB 1 ATOM 6342 H HG12 . ILE B 1 182 ? -20.955 -0.635 34.582 1.00 12.94 ? 182 ILE B HG12 1 ATOM 6343 H HG13 . ILE B 1 182 ? -19.859 -1.781 34.668 1.00 12.94 ? 182 ILE B HG13 1 ATOM 6344 H HG21 . ILE B 1 182 ? -19.465 1.252 32.923 1.00 14.53 ? 182 ILE B HG21 1 ATOM 6345 H HG22 . ILE B 1 182 ? -19.878 0.743 31.493 1.00 14.53 ? 182 ILE B HG22 1 ATOM 6346 H HG23 . ILE B 1 182 ? -20.966 0.897 32.618 1.00 14.53 ? 182 ILE B HG23 1 ATOM 6347 H HD11 . ILE B 1 182 ? -19.328 -0.061 36.134 1.00 14.18 ? 182 ILE B HD11 1 ATOM 6348 H HD12 . ILE B 1 182 ? -18.217 -0.171 35.027 1.00 14.18 ? 182 ILE B HD12 1 ATOM 6349 H HD13 . ILE B 1 182 ? -19.302 0.963 34.941 1.00 14.18 ? 182 ILE B HD13 1 ATOM 6350 N N . LEU B 1 183 ? -19.347 -2.074 30.118 1.00 9.44 ? 183 LEU B N 1 ATOM 6351 C CA . LEU B 1 183 ? -19.013 -2.092 28.692 1.00 7.55 ? 183 LEU B CA 1 ATOM 6352 C C . LEU B 1 183 ? -18.351 -3.414 28.378 1.00 8.42 ? 183 LEU B C 1 ATOM 6353 O O . LEU B 1 183 ? -17.511 -3.882 29.148 1.00 8.68 ? 183 LEU B O 1 ATOM 6354 C CB . LEU B 1 183 ? -18.043 -0.960 28.297 1.00 8.33 ? 183 LEU B CB 1 ATOM 6355 C CG . LEU B 1 183 ? -18.584 0.452 28.447 1.00 8.91 ? 183 LEU B CG 1 ATOM 6356 C CD1 . LEU B 1 183 ? -17.444 1.452 28.324 1.00 10.28 ? 183 LEU B CD1 1 ATOM 6357 C CD2 . LEU B 1 183 ? -19.685 0.764 27.446 1.00 10.64 ? 183 LEU B CD2 1 ATOM 6358 H H . LEU B 1 183 ? -18.729 -2.409 30.614 1.00 11.31 ? 183 LEU B H 1 ATOM 6359 H HA . LEU B 1 183 ? -19.830 -2.012 28.158 1.00 9.05 ? 183 LEU B HA 1 ATOM 6360 H HB2 . LEU B 1 183 ? -17.251 -1.028 28.852 1.00 9.99 ? 183 LEU B HB2 1 ATOM 6361 H HB3 . LEU B 1 183 ? -17.797 -1.079 27.366 1.00 9.99 ? 183 LEU B HB3 1 ATOM 6362 H HG . LEU B 1 183 ? -18.961 0.545 29.335 1.00 10.69 ? 183 LEU B HG 1 ATOM 6363 H HD11 . LEU B 1 183 ? -17.796 2.340 28.420 1.00 12.32 ? 183 LEU B HD11 1 ATOM 6364 H HD12 . LEU B 1 183 ? -16.800 1.278 29.014 1.00 12.32 ? 183 LEU B HD12 1 ATOM 6365 H HD13 . LEU B 1 183 ? -17.034 1.353 27.461 1.00 12.32 ? 183 LEU B HD13 1 ATOM 6366 H HD21 . LEU B 1 183 ? -19.988 1.664 27.586 1.00 12.76 ? 183 LEU B HD21 1 ATOM 6367 H HD22 . LEU B 1 183 ? -19.334 0.670 26.557 1.00 12.76 ? 183 LEU B HD22 1 ATOM 6368 H HD23 . LEU B 1 183 ? -20.410 0.150 27.579 1.00 12.76 ? 183 LEU B HD23 1 ATOM 6369 N N . ASP B 1 184 ? -18.689 -4.013 27.248 1.00 9.22 ? 184 ASP B N 1 ATOM 6370 C CA . ASP B 1 184 ? -18.112 -5.314 26.899 1.00 9.34 ? 184 ASP B CA 1 ATOM 6371 C C . ASP B 1 184 ? -17.883 -5.375 25.405 1.00 8.40 ? 184 ASP B C 1 ATOM 6372 O O . ASP B 1 184 ? -18.806 -5.214 24.605 1.00 9.78 ? 184 ASP B O 1 ATOM 6373 C CB . ASP B 1 184 ? -19.045 -6.428 27.366 1.00 11.39 ? 184 ASP B CB 1 ATOM 6374 C CG . ASP B 1 184 ? -18.419 -7.796 27.233 1.00 15.90 ? 184 ASP B CG 1 ATOM 6375 O OD1 . ASP B 1 184 ? -18.142 -8.193 26.121 1.00 14.67 ? 184 ASP B OD1 1 ATOM 6376 O OD2 . ASP B 1 184 ? -18.154 -8.485 28.258 1.00 21.51 ? 184 ASP B OD2 1 ATOM 6377 H H . ASP B 1 184 ? -19.242 -3.698 26.669 1.00 11.05 ? 184 ASP B H 1 ATOM 6378 H HA . ASP B 1 184 ? -17.249 -5.422 27.350 1.00 11.20 ? 184 ASP B HA 1 ATOM 6379 H HB2 . ASP B 1 184 ? -19.265 -6.286 28.300 1.00 13.65 ? 184 ASP B HB2 1 ATOM 6380 H HB3 . ASP B 1 184 ? -19.852 -6.412 26.828 1.00 13.65 ? 184 ASP B HB3 1 ATOM 6381 N N . TRP B 1 185 ? -16.629 -5.625 25.011 1.00 8.84 ? 185 TRP B N 1 ATOM 6382 C CA . TRP B 1 185 ? -16.230 -5.663 23.619 1.00 9.79 ? 185 TRP B CA 1 ATOM 6383 C C . TRP B 1 185 ? -16.973 -6.689 22.770 1.00 10.83 ? 185 TRP B C 1 ATOM 6384 O O . TRP B 1 185 ? -17.095 -6.485 21.559 1.00 10.88 ? 185 TRP B O 1 ATOM 6385 C CB . TRP B 1 185 ? -14.718 -5.942 23.562 1.00 9.79 ? 185 TRP B CB 1 ATOM 6386 C CG . TRP B 1 185 ? -14.029 -5.521 22.309 1.00 8.04 ? 185 TRP B CG 1 ATOM 6387 C CD1 . TRP B 1 185 ? -13.450 -6.325 21.359 1.00 8.41 ? 185 TRP B CD1 1 ATOM 6388 C CD2 . TRP B 1 185 ? -13.848 -4.177 21.856 1.00 8.33 ? 185 TRP B CD2 1 ATOM 6389 N NE1 . TRP B 1 185 ? -12.891 -5.562 20.374 1.00 10.30 ? 185 TRP B NE1 1 ATOM 6390 C CE2 . TRP B 1 185 ? -13.121 -4.238 20.647 1.00 8.25 ? 185 TRP B CE2 1 ATOM 6391 C CE3 . TRP B 1 185 ? -14.203 -2.931 22.357 1.00 9.10 ? 185 TRP B CE3 1 ATOM 6392 C CZ2 . TRP B 1 185 ? -12.774 -3.095 19.938 1.00 10.35 ? 185 TRP B CZ2 1 ATOM 6393 C CZ3 . TRP B 1 185 ? -13.826 -1.776 21.643 1.00 9.78 ? 185 TRP B CZ3 1 ATOM 6394 C CH2 . TRP B 1 185 ? -13.156 -1.874 20.457 1.00 10.38 ? 185 TRP B CH2 1 ATOM 6395 H H . TRP B 1 185 ? -15.981 -5.780 25.555 1.00 10.59 ? 185 TRP B H 1 ATOM 6396 H HA . TRP B 1 185 ? -16.386 -4.780 23.224 1.00 11.74 ? 185 TRP B HA 1 ATOM 6397 H HB2 . TRP B 1 185 ? -14.293 -5.475 24.298 1.00 11.74 ? 185 TRP B HB2 1 ATOM 6398 H HB3 . TRP B 1 185 ? -14.580 -6.897 23.662 1.00 11.74 ? 185 TRP B HB3 1 ATOM 6399 H HD1 . TRP B 1 185 ? -13.409 -7.253 21.402 1.00 10.08 ? 185 TRP B HD1 1 ATOM 6400 H HE1 . TRP B 1 185 ? -12.483 -5.865 19.680 1.00 12.35 ? 185 TRP B HE1 1 ATOM 6401 H HE3 . TRP B 1 185 ? -14.663 -2.860 23.161 1.00 10.91 ? 185 TRP B HE3 1 ATOM 6402 H HZ2 . TRP B 1 185 ? -12.310 -3.151 19.134 1.00 12.41 ? 185 TRP B HZ2 1 ATOM 6403 H HZ3 . TRP B 1 185 ? -14.071 -0.938 21.965 1.00 11.73 ? 185 TRP B HZ3 1 ATOM 6404 H HH2 . TRP B 1 185 ? -12.923 -1.097 20.003 1.00 12.44 ? 185 TRP B HH2 1 ATOM 6405 N N . GLN B 1 186 ? -17.453 -7.761 23.413 1.00 9.56 ? 186 GLN B N 1 ATOM 6406 C CA A GLN B 1 186 ? -18.205 -8.824 22.732 0.50 11.26 ? 186 GLN B CA 1 ATOM 6407 C CA B GLN B 1 186 ? -18.172 -8.808 22.690 0.50 10.90 ? 186 GLN B CA 1 ATOM 6408 C C . GLN B 1 186 ? -19.673 -8.491 22.534 1.00 12.25 ? 186 GLN B C 1 ATOM 6409 O O . GLN B 1 186 ? -20.405 -9.226 21.851 1.00 12.43 ? 186 GLN B O 1 ATOM 6410 C CB A GLN B 1 186 ? -18.158 -10.123 23.521 0.50 13.15 ? 186 GLN B CB 1 ATOM 6411 C CB B GLN B 1 186 ? -17.962 -10.167 23.363 0.50 13.94 ? 186 GLN B CB 1 ATOM 6412 C CG A GLN B 1 186 ? -17.071 -11.056 23.091 0.50 17.82 ? 186 GLN B CG 1 ATOM 6413 C CG B GLN B 1 186 ? -16.477 -10.577 23.454 0.50 13.48 ? 186 GLN B CG 1 ATOM 6414 C CD A GLN B 1 186 ? -15.748 -10.693 23.708 0.50 20.11 ? 186 GLN B CD 1 ATOM 6415 C CD B GLN B 1 186 ? -16.267 -12.065 23.738 0.50 22.23 ? 186 GLN B CD 1 ATOM 6416 O OE1 A GLN B 1 186 ? -15.503 -10.950 24.900 0.50 21.60 ? 186 GLN B OE1 1 ATOM 6417 O OE1 B GLN B 1 186 ? -17.015 -12.685 24.477 0.50 25.99 ? 186 GLN B OE1 1 ATOM 6418 N NE2 A GLN B 1 186 ? -14.865 -10.108 22.896 0.50 22.75 ? 186 GLN B NE2 1 ATOM 6419 N NE2 B GLN B 1 186 ? -15.230 -12.632 23.138 0.50 36.67 ? 186 GLN B NE2 1 ATOM 6420 H H A GLN B 1 186 ? -17.353 -7.898 24.256 0.50 11.46 ? 186 GLN B H 1 ATOM 6421 H H B GLN B 1 186 ? -17.373 -7.902 24.258 0.50 11.46 ? 186 GLN B H 1 ATOM 6422 H HA A GLN B 1 186 ? -17.807 -8.986 21.851 0.50 13.50 ? 186 GLN B HA 1 ATOM 6423 H HA B GLN B 1 186 ? -17.795 -8.870 21.788 0.50 13.06 ? 186 GLN B HA 1 ATOM 6424 H HB2 A GLN B 1 186 ? -18.016 -9.915 24.458 0.50 15.77 ? 186 GLN B HB2 1 ATOM 6425 H HB2 B GLN B 1 186 ? -18.317 -10.130 24.265 0.50 16.72 ? 186 GLN B HB2 1 ATOM 6426 H HB3 A GLN B 1 186 ? -19.004 -10.585 23.413 0.50 15.77 ? 186 GLN B HB3 1 ATOM 6427 H HB3 B GLN B 1 186 ? -18.428 -10.847 22.852 0.50 16.72 ? 186 GLN B HB3 1 ATOM 6428 H HG2 A GLN B 1 186 ? -17.297 -11.958 23.366 0.50 21.37 ? 186 GLN B HG2 1 ATOM 6429 H HG2 B GLN B 1 186 ? -16.044 -10.371 22.611 0.50 16.16 ? 186 GLN B HG2 1 ATOM 6430 H HG3 A GLN B 1 186 ? -16.977 -11.013 22.126 0.50 21.37 ? 186 GLN B HG3 1 ATOM 6431 H HG3 B GLN B 1 186 ? -16.058 -10.076 24.171 0.50 16.16 ? 186 GLN B HG3 1 ATOM 6432 H HE21 A GLN B 1 186 ? -14.092 -9.879 23.195 0.50 27.29 ? 186 GLN B HE21 1 ATOM 6433 H HE21 B GLN B 1 186 ? -15.065 -13.467 23.262 0.50 43.99 ? 186 GLN B HE21 1 ATOM 6434 H HE22 A GLN B 1 186 ? -15.069 -9.960 22.074 0.50 27.29 ? 186 GLN B HE22 1 ATOM 6435 H HE22 B GLN B 1 186 ? -14.722 -12.165 22.624 0.50 43.99 ? 186 GLN B HE22 1 ATOM 6436 N N . ALA B 1 187 ? -20.133 -7.417 23.173 1.00 12.40 ? 187 ALA B N 1 ATOM 6437 C CA . ALA B 1 187 ? -21.513 -6.945 23.041 1.00 13.78 ? 187 ALA B CA 1 ATOM 6438 C C . ALA B 1 187 ? -21.592 -5.451 23.285 1.00 11.66 ? 187 ALA B C 1 ATOM 6439 O O . ALA B 1 187 ? -22.147 -4.942 24.298 1.00 12.61 ? 187 ALA B O 1 ATOM 6440 C CB . ALA B 1 187 ? -22.391 -7.700 23.978 1.00 13.61 ? 187 ALA B CB 1 ATOM 6441 H H . ALA B 1 187 ? -19.655 -6.934 23.700 1.00 14.86 ? 187 ALA B H 1 ATOM 6442 H HA . ALA B 1 187 ? -21.824 -7.120 22.128 1.00 16.53 ? 187 ALA B HA 1 ATOM 6443 H HB1 . ALA B 1 187 ? -23.292 -7.383 23.885 1.00 16.32 ? 187 ALA B HB1 1 ATOM 6444 H HB2 . ALA B 1 187 ? -22.347 -8.634 23.763 1.00 16.32 ? 187 ALA B HB2 1 ATOM 6445 H HB3 . ALA B 1 187 ? -22.085 -7.556 24.877 1.00 16.32 ? 187 ALA B HB3 1 ATOM 6446 N N . LEU B 1 188 ? -20.997 -4.742 22.348 1.00 11.81 ? 188 LEU B N 1 ATOM 6447 C CA . LEU B 1 188 ? -20.785 -3.324 22.498 1.00 10.30 ? 188 LEU B CA 1 ATOM 6448 C C . LEU B 1 188 ? -21.814 -2.511 21.708 1.00 10.17 ? 188 LEU B C 1 ATOM 6449 O O . LEU B 1 188 ? -22.061 -2.786 20.545 1.00 12.93 ? 188 LEU B O 1 ATOM 6450 C CB . LEU B 1 188 ? -19.352 -2.980 22.042 1.00 10.45 ? 188 LEU B CB 1 ATOM 6451 C CG . LEU B 1 188 ? -18.827 -1.582 22.423 1.00 11.90 ? 188 LEU B CG 1 ATOM 6452 C CD1 . LEU B 1 188 ? -18.486 -1.593 23.905 1.00 12.36 ? 188 LEU B CD1 1 ATOM 6453 C CD2 . LEU B 1 188 ? -17.585 -1.236 21.587 1.00 12.15 ? 188 LEU B CD2 1 ATOM 6454 H H . LEU B 1 188 ? -20.703 -5.064 21.607 1.00 14.16 ? 188 LEU B H 1 ATOM 6455 H HA . LEU B 1 188 ? -20.869 -3.086 23.445 1.00 12.35 ? 188 LEU B HA 1 ATOM 6456 H HB2 . LEU B 1 188 ? -18.746 -3.630 22.430 1.00 12.53 ? 188 LEU B HB2 1 ATOM 6457 H HB3 . LEU B 1 188 ? -19.318 -3.046 21.075 1.00 12.53 ? 188 LEU B HB3 1 ATOM 6458 H HG . LEU B 1 188 ? -19.513 -0.915 22.262 1.00 14.27 ? 188 LEU B HG 1 ATOM 6459 H HD11 . LEU B 1 188 ? -18.157 -0.727 24.156 1.00 14.82 ? 188 LEU B HD11 1 ATOM 6460 H HD12 . LEU B 1 188 ? -19.279 -1.800 24.406 1.00 14.82 ? 188 LEU B HD12 1 ATOM 6461 H HD13 . LEU B 1 188 ? -17.813 -2.258 24.066 1.00 14.82 ? 188 LEU B HD13 1 ATOM 6462 H HD21 . LEU B 1 188 ? -17.273 -0.363 21.839 1.00 14.57 ? 188 LEU B HD21 1 ATOM 6463 H HD22 . LEU B 1 188 ? -16.903 -1.889 21.757 1.00 14.57 ? 188 LEU B HD22 1 ATOM 6464 H HD23 . LEU B 1 188 ? -17.823 -1.244 20.657 1.00 14.57 ? 188 LEU B HD23 1 ATOM 6465 N N . ASN B 1 189 ? -22.329 -1.472 22.354 1.00 9.83 ? 189 ASN B N 1 ATOM 6466 C CA A ASN B 1 189 ? -23.204 -0.467 21.739 0.58 9.66 ? 189 ASN B CA 1 ATOM 6467 C CA B ASN B 1 189 ? -23.171 -0.493 21.674 0.42 10.41 ? 189 ASN B CA 1 ATOM 6468 C C . ASN B 1 189 ? -22.372 0.776 21.512 1.00 9.31 ? 189 ASN B C 1 ATOM 6469 O O . ASN B 1 189 ? -21.918 1.390 22.483 1.00 12.75 ? 189 ASN B O 1 ATOM 6470 C CB A ASN B 1 189 ? -24.368 -0.169 22.682 0.58 11.43 ? 189 ASN B CB 1 ATOM 6471 C CB B ASN B 1 189 ? -24.477 -0.270 22.423 0.42 11.30 ? 189 ASN B CB 1 ATOM 6472 C CG A ASN B 1 189 ? -25.469 0.640 22.018 0.58 13.40 ? 189 ASN B CG 1 ATOM 6473 C CG B ASN B 1 189 ? -25.484 -1.388 22.184 0.42 22.45 ? 189 ASN B CG 1 ATOM 6474 O OD1 A ASN B 1 189 ? -25.417 0.899 20.810 0.58 19.86 ? 189 ASN B OD1 1 ATOM 6475 O OD1 B ASN B 1 189 ? -25.981 -2.000 23.128 0.42 30.72 ? 189 ASN B OD1 1 ATOM 6476 N ND2 A ASN B 1 189 ? -26.475 1.033 22.798 0.58 15.55 ? 189 ASN B ND2 1 ATOM 6477 N ND2 B ASN B 1 189 ? -25.781 -1.657 20.914 0.42 27.95 ? 189 ASN B ND2 1 ATOM 6478 H H A ASN B 1 189 ? -22.180 -1.317 23.186 0.58 11.78 ? 189 ASN B H 1 ATOM 6479 H H B ASN B 1 189 ? -22.205 -1.309 23.189 0.42 11.78 ? 189 ASN B H 1 ATOM 6480 H HA A ASN B 1 189 ? -23.551 -0.791 20.882 0.58 11.58 ? 189 ASN B HA 1 ATOM 6481 H HA B ASN B 1 189 ? -23.390 -0.829 20.780 0.42 12.48 ? 189 ASN B HA 1 ATOM 6482 H HB2 A ASN B 1 189 ? -24.752 -1.007 22.984 0.58 13.71 ? 189 ASN B HB2 1 ATOM 6483 H HB2 B ASN B 1 189 ? -24.293 -0.229 23.375 0.42 13.55 ? 189 ASN B HB2 1 ATOM 6484 H HB3 A ASN B 1 189 ? -24.039 0.338 23.440 0.58 13.71 ? 189 ASN B HB3 1 ATOM 6485 H HB3 B ASN B 1 189 ? -24.875 0.563 22.125 0.42 13.55 ? 189 ASN B HB3 1 ATOM 6486 H HD21 A ASN B 1 189 ? -27.211 1.558 22.420 0.58 18.64 ? 189 ASN B HD21 1 ATOM 6487 H HD21 B ASN B 1 189 ? -26.423 -2.366 20.701 0.42 33.53 ? 189 ASN B HD21 1 ATOM 6488 H HD22 A ASN B 1 189 ? -26.478 0.798 23.749 0.58 18.64 ? 189 ASN B HD22 1 ATOM 6489 H HD22 B ASN B 1 189 ? -25.358 -1.146 20.193 0.42 33.53 ? 189 ASN B HD22 1 ATOM 6490 N N . TYR B 1 190 ? -22.130 1.115 20.254 1.00 9.41 ? 190 TYR B N 1 ATOM 6491 C CA . TYR B 1 190 ? -21.239 2.226 19.938 1.00 11.06 ? 190 TYR B CA 1 ATOM 6492 C C . TYR B 1 190 ? -21.796 3.013 18.775 1.00 12.20 ? 190 TYR B C 1 ATOM 6493 O O . TYR B 1 190 ? -22.639 2.515 18.018 1.00 12.14 ? 190 TYR B O 1 ATOM 6494 C CB . TYR B 1 190 ? -19.811 1.743 19.630 1.00 10.26 ? 190 TYR B CB 1 ATOM 6495 C CG . TYR B 1 190 ? -19.721 0.888 18.435 1.00 9.52 ? 190 TYR B CG 1 ATOM 6496 C CD1 . TYR B 1 190 ? -19.521 1.440 17.168 1.00 10.70 ? 190 TYR B CD1 1 ATOM 6497 C CD2 . TYR B 1 190 ? -19.889 -0.498 18.533 1.00 12.12 ? 190 TYR B CD2 1 ATOM 6498 C CE1 . TYR B 1 190 ? -19.500 0.664 16.019 1.00 12.38 ? 190 TYR B CE1 1 ATOM 6499 C CE2 . TYR B 1 190 ? -19.851 -1.279 17.416 1.00 13.22 ? 190 TYR B CE2 1 ATOM 6500 C CZ . TYR B 1 190 ? -19.659 -0.699 16.149 1.00 15.03 ? 190 TYR B CZ 1 ATOM 6501 O OH . TYR B 1 190 ? -19.638 -1.500 15.025 1.00 20.14 ? 190 TYR B OH 1 ATOM 6502 H H . TYR B 1 190 ? -22.465 0.721 19.567 1.00 11.28 ? 190 TYR B H 1 ATOM 6503 H HA . TYR B 1 190 ? -21.193 2.825 20.712 1.00 13.26 ? 190 TYR B HA 1 ATOM 6504 H HB2 . TYR B 1 190 ? -19.244 2.517 19.485 1.00 12.30 ? 190 TYR B HB2 1 ATOM 6505 H HB3 . TYR B 1 190 ? -19.484 1.232 20.387 1.00 12.30 ? 190 TYR B HB3 1 ATOM 6506 H HD1 . TYR B 1 190 ? -19.433 2.362 17.089 1.00 12.82 ? 190 TYR B HD1 1 ATOM 6507 H HD2 . TYR B 1 190 ? -20.031 -0.888 19.366 1.00 14.54 ? 190 TYR B HD2 1 ATOM 6508 H HE1 . TYR B 1 190 ? -19.364 1.051 15.185 1.00 14.85 ? 190 TYR B HE1 1 ATOM 6509 H HE2 . TYR B 1 190 ? -19.966 -2.199 17.491 1.00 15.85 ? 190 TYR B HE2 1 ATOM 6510 H HH . TYR B 1 190 ? -18.919 -1.422 14.639 1.00 24.15 ? 190 TYR B HH 1 ATOM 6511 N N . GLU B 1 191 ? -21.293 4.238 18.639 1.00 10.36 ? 191 GLU B N 1 ATOM 6512 C CA . GLU B 1 191 ? -21.559 5.098 17.480 1.00 10.07 ? 191 GLU B CA 1 ATOM 6513 C C . GLU B 1 191 ? -20.268 5.661 16.955 1.00 10.44 ? 191 GLU B C 1 ATOM 6514 O O . GLU B 1 191 ? -19.552 6.337 17.686 1.00 11.23 ? 191 GLU B O 1 ATOM 6515 C CB . GLU B 1 191 ? -22.469 6.273 17.872 1.00 12.62 ? 191 GLU B CB 1 ATOM 6516 C CG . GLU B 1 191 ? -23.830 5.840 18.368 1.00 17.84 ? 191 GLU B CG 1 ATOM 6517 C CD . GLU B 1 191 ? -24.598 6.973 19.022 1.00 22.19 ? 191 GLU B CD 1 ATOM 6518 O OE1 . GLU B 1 191 ? -23.979 7.969 19.471 1.00 21.35 ? 191 GLU B OE1 1 ATOM 6519 O OE2 . GLU B 1 191 ? -25.844 6.860 19.083 1.00 24.95 ? 191 GLU B OE2 1 ATOM 6520 H H . GLU B 1 191 ? -20.779 4.607 19.222 1.00 12.42 ? 191 GLU B H 1 ATOM 6521 H HA . GLU B 1 191 ? -21.994 4.580 16.770 1.00 12.08 ? 191 GLU B HA 1 ATOM 6522 H HB2 . GLU B 1 191 ? -22.040 6.778 18.581 1.00 15.13 ? 191 GLU B HB2 1 ATOM 6523 H HB3 . GLU B 1 191 ? -22.601 6.841 17.097 1.00 15.13 ? 191 GLU B HB3 1 ATOM 6524 H HG2 . GLU B 1 191 ? -24.352 5.517 17.618 1.00 21.40 ? 191 GLU B HG2 1 ATOM 6525 H HG3 . GLU B 1 191 ? -23.718 5.134 19.024 1.00 21.40 ? 191 GLU B HG3 1 ATOM 6526 N N . ILE B 1 192 ? -19.953 5.379 15.695 1.00 10.08 ? 192 ILE B N 1 ATOM 6527 C CA . ILE B 1 192 ? -18.834 6.000 15.035 1.00 9.96 ? 192 ILE B CA 1 ATOM 6528 C C . ILE B 1 192 ? -19.237 7.371 14.524 1.00 10.76 ? 192 ILE B C 1 ATOM 6529 O O . ILE B 1 192 ? -20.282 7.513 13.884 1.00 10.96 ? 192 ILE B O 1 ATOM 6530 C CB . ILE B 1 192 ? -18.317 5.119 13.867 1.00 9.79 ? 192 ILE B CB 1 ATOM 6531 C CG1 . ILE B 1 192 ? -17.532 3.916 14.437 1.00 12.77 ? 192 ILE B CG1 1 ATOM 6532 C CG2 . ILE B 1 192 ? -17.429 5.936 12.937 1.00 11.94 ? 192 ILE B CG2 1 ATOM 6533 C CD1 . ILE B 1 192 ? -17.152 2.845 13.413 1.00 15.27 ? 192 ILE B CD1 1 ATOM 6534 H H . ILE B 1 192 ? -20.384 4.821 15.202 1.00 12.08 ? 192 ILE B H 1 ATOM 6535 H HA . ILE B 1 192 ? -18.104 6.116 15.678 1.00 11.94 ? 192 ILE B HA 1 ATOM 6536 H HB . ILE B 1 192 ? -19.077 4.787 13.364 1.00 11.74 ? 192 ILE B HB 1 ATOM 6537 H HG12 . ILE B 1 192 ? -16.711 4.245 14.834 1.00 15.31 ? 192 ILE B HG12 1 ATOM 6538 H HG13 . ILE B 1 192 ? -18.075 3.489 15.119 1.00 15.31 ? 192 ILE B HG13 1 ATOM 6539 H HG21 . ILE B 1 192 ? -17.121 5.372 12.224 1.00 14.31 ? 192 ILE B HG21 1 ATOM 6540 H HG22 . ILE B 1 192 ? -17.939 6.667 12.580 1.00 14.31 ? 192 ILE B HG22 1 ATOM 6541 H HG23 . ILE B 1 192 ? -16.680 6.272 13.436 1.00 14.31 ? 192 ILE B HG23 1 ATOM 6542 H HD11 . ILE B 1 192 ? -16.671 2.144 13.859 1.00 18.31 ? 192 ILE B HD11 1 ATOM 6543 H HD12 . ILE B 1 192 ? -17.953 2.493 13.018 1.00 18.31 ? 192 ILE B HD12 1 ATOM 6544 H HD13 . ILE B 1 192 ? -16.600 3.242 12.736 1.00 18.31 ? 192 ILE B HD13 1 ATOM 6545 N N . ARG B 1 193 ? -18.391 8.357 14.785 1.00 9.09 ? 193 ARG B N 1 ATOM 6546 C CA . ARG B 1 193 ? -18.574 9.711 14.252 1.00 9.47 ? 193 ARG B CA 1 ATOM 6547 C C . ARG B 1 193 ? -17.295 10.166 13.568 1.00 9.86 ? 193 ARG B C 1 ATOM 6548 O O . ARG B 1 193 ? -16.184 10.077 14.128 1.00 10.63 ? 193 ARG B O 1 ATOM 6549 C CB . ARG B 1 193 ? -18.958 10.685 15.372 1.00 12.50 ? 193 ARG B CB 1 ATOM 6550 C CG . ARG B 1 193 ? -20.267 10.327 16.054 1.00 14.20 ? 193 ARG B CG 1 ATOM 6551 C CD . ARG B 1 193 ? -21.422 10.656 15.102 1.00 16.82 ? 193 ARG B CD 1 ATOM 6552 N NE . ARG B 1 193 ? -22.732 10.378 15.679 1.00 25.82 ? 193 ARG B NE 1 ATOM 6553 C CZ . ARG B 1 193 ? -23.414 9.250 15.491 1.00 24.17 ? 193 ARG B CZ 1 ATOM 6554 N NH1 . ARG B 1 193 ? -22.935 8.258 14.736 1.00 17.21 ? 193 ARG B NH1 1 ATOM 6555 N NH2 . ARG B 1 193 ? -24.610 9.115 16.052 1.00 24.15 ? 193 ARG B NH2 1 ATOM 6556 H H . ARG B 1 193 ? -17.690 8.271 15.276 1.00 10.90 ? 193 ARG B H 1 ATOM 6557 H HA . ARG B 1 193 ? -19.294 9.705 13.588 1.00 11.36 ? 193 ARG B HA 1 ATOM 6558 H HB2 . ARG B 1 193 ? -18.260 10.681 16.046 1.00 14.98 ? 193 ARG B HB2 1 ATOM 6559 H HB3 . ARG B 1 193 ? -19.050 11.575 14.998 1.00 14.98 ? 193 ARG B HB3 1 ATOM 6560 H HG2 . ARG B 1 193 ? -20.285 9.378 16.252 1.00 17.03 ? 193 ARG B HG2 1 ATOM 6561 H HG3 . ARG B 1 193 ? -20.370 10.851 16.864 1.00 17.03 ? 193 ARG B HG3 1 ATOM 6562 H HD2 . ARG B 1 193 ? -21.387 11.599 14.878 1.00 20.17 ? 193 ARG B HD2 1 ATOM 6563 H HD3 . ARG B 1 193 ? -21.329 10.121 14.298 1.00 20.17 ? 193 ARG B HD3 1 ATOM 6564 H HE . ARG B 1 193 ? -23.133 11.061 16.239 1.00 30.97 ? 193 ARG B HE 1 ATOM 6565 H HH11 . ARG B 1 193 ? -22.164 8.336 14.361 1.00 20.64 ? 193 ARG B HH11 1 ATOM 6566 H HH12 . ARG B 1 193 ? -23.394 7.539 14.628 1.00 20.64 ? 193 ARG B HH12 1 ATOM 6567 H HH21 . ARG B 1 193 ? -24.930 9.745 16.542 1.00 28.97 ? 193 ARG B HH21 1 ATOM 6568 H HH22 . ARG B 1 193 ? -25.057 8.389 15.941 1.00 28.97 ? 193 ARG B HH22 1 ATOM 6569 N N . GLY B 1 194 ? -17.392 10.589 12.311 1.00 11.73 ? 194 GLY B N 1 ATOM 6570 C CA . GLY B 1 194 ? -16.211 10.988 11.580 1.00 10.02 ? 194 GLY B CA 1 ATOM 6571 C C . GLY B 1 194 ? -15.420 9.765 11.108 1.00 9.15 ? 194 GLY B C 1 ATOM 6572 O O . GLY B 1 194 ? -15.988 8.688 10.858 1.00 11.84 ? 194 GLY B O 1 ATOM 6573 H H . GLY B 1 194 ? -18.126 10.652 11.868 1.00 14.06 ? 194 GLY B H 1 ATOM 6574 H HA2 . GLY B 1 194 ? -16.466 11.512 10.805 1.00 12.01 ? 194 GLY B HA2 1 ATOM 6575 H HA3 . GLY B 1 194 ? -15.640 11.528 12.148 1.00 12.01 ? 194 GLY B HA3 1 ATOM 6576 N N . TYR B 1 195 ? -14.118 9.951 11.002 1.00 9.07 ? 195 TYR B N 1 ATOM 6577 C CA . TYR B 1 195 ? -13.237 8.969 10.373 1.00 8.22 ? 195 TYR B CA 1 ATOM 6578 C C . TYR B 1 195 ? -12.689 8.007 11.419 1.00 7.58 ? 195 TYR B C 1 ATOM 6579 O O . TYR B 1 195 ? -11.666 8.263 12.030 1.00 9.13 ? 195 TYR B O 1 ATOM 6580 C CB . TYR B 1 195 ? -12.115 9.698 9.661 1.00 8.58 ? 195 TYR B CB 1 ATOM 6581 C CG . TYR B 1 195 ? -11.192 8.868 8.803 1.00 7.84 ? 195 TYR B CG 1 ATOM 6582 C CD1 . TYR B 1 195 ? -11.665 7.789 8.123 1.00 9.37 ? 195 TYR B CD1 1 ATOM 6583 C CD2 . TYR B 1 195 ? -9.868 9.243 8.626 1.00 9.41 ? 195 TYR B CD2 1 ATOM 6584 C CE1 . TYR B 1 195 ? -10.817 7.041 7.284 1.00 9.46 ? 195 TYR B CE1 1 ATOM 6585 C CE2 . TYR B 1 195 ? -9.037 8.530 7.821 1.00 10.35 ? 195 TYR B CE2 1 ATOM 6586 C CZ . TYR B 1 195 ? -9.510 7.435 7.152 1.00 9.60 ? 195 TYR B CZ 1 ATOM 6587 O OH . TYR B 1 195 ? -8.645 6.735 6.310 1.00 10.03 ? 195 TYR B OH 1 ATOM 6588 H H . TYR B 1 195 ? -13.707 10.649 11.292 1.00 10.87 ? 195 TYR B H 1 ATOM 6589 H HA . TYR B 1 195 ? -13.742 8.453 9.710 1.00 9.86 ? 195 TYR B HA 1 ATOM 6590 H HB2 . TYR B 1 195 ? -12.511 10.372 9.085 1.00 10.29 ? 195 TYR B HB2 1 ATOM 6591 H HB3 . TYR B 1 195 ? -11.567 10.135 10.331 1.00 10.29 ? 195 TYR B HB3 1 ATOM 6592 H HD1 . TYR B 1 195 ? -12.556 7.538 8.219 1.00 11.23 ? 195 TYR B HD1 1 ATOM 6593 H HD2 . TYR B 1 195 ? -9.541 9.990 9.074 1.00 11.28 ? 195 TYR B HD2 1 ATOM 6594 H HE1 . TYR B 1 195 ? -11.138 6.298 6.825 1.00 11.34 ? 195 TYR B HE1 1 ATOM 6595 H HE2 . TYR B 1 195 ? -8.151 8.791 7.719 1.00 12.41 ? 195 TYR B HE2 1 ATOM 6596 H HH . TYR B 1 195 ? -8.928 6.751 5.541 1.00 12.03 ? 195 TYR B HH 1 ATOM 6597 N N . VAL B 1 196 ? -13.393 6.902 11.602 1.00 8.02 ? 196 VAL B N 1 ATOM 6598 C CA . VAL B 1 196 ? -12.969 5.795 12.459 1.00 7.75 ? 196 VAL B CA 1 ATOM 6599 C C . VAL B 1 196 ? -13.328 4.556 11.681 1.00 8.69 ? 196 VAL B C 1 ATOM 6600 O O . VAL B 1 196 ? -14.435 4.432 11.161 1.00 9.45 ? 196 VAL B O 1 ATOM 6601 C CB . VAL B 1 196 ? -13.690 5.771 13.828 1.00 9.92 ? 196 VAL B CB 1 ATOM 6602 C CG1 . VAL B 1 196 ? -13.117 4.658 14.729 1.00 9.99 ? 196 VAL B CG1 1 ATOM 6603 C CG2 . VAL B 1 196 ? -13.590 7.124 14.516 1.00 9.63 ? 196 VAL B CG2 1 ATOM 6604 H H . VAL B 1 196 ? -14.154 6.762 11.227 1.00 9.61 ? 196 VAL B H 1 ATOM 6605 H HA . VAL B 1 196 ? -12.000 5.822 12.600 1.00 9.28 ? 196 VAL B HA 1 ATOM 6606 H HB . VAL B 1 196 ? -14.640 5.579 13.682 1.00 11.89 ? 196 VAL B HB 1 ATOM 6607 H HG11 . VAL B 1 196 ? -13.581 4.666 15.569 1.00 11.98 ? 196 VAL B HG11 1 ATOM 6608 H HG12 . VAL B 1 196 ? -13.241 3.810 14.294 1.00 11.98 ? 196 VAL B HG12 1 ATOM 6609 H HG13 . VAL B 1 196 ? -12.182 4.821 14.869 1.00 11.98 ? 196 VAL B HG13 1 ATOM 6610 H HG21 . VAL B 1 196 ? -14.044 7.080 15.360 1.00 11.55 ? 196 VAL B HG21 1 ATOM 6611 H HG22 . VAL B 1 196 ? -12.664 7.337 14.653 1.00 11.55 ? 196 VAL B HG22 1 ATOM 6612 H HG23 . VAL B 1 196 ? -14.000 7.789 13.957 1.00 11.55 ? 196 VAL B HG23 1 ATOM 6613 N N . ILE B 1 197 ? -12.370 3.649 11.561 1.00 8.12 ? 197 ILE B N 1 ATOM 6614 C CA . ILE B 1 197 ? -12.516 2.446 10.746 1.00 8.57 ? 197 ILE B CA 1 ATOM 6615 C C . ILE B 1 197 ? -12.341 1.222 11.620 1.00 8.32 ? 197 ILE B C 1 ATOM 6616 O O . ILE B 1 197 ? -11.427 1.167 12.433 1.00 9.75 ? 197 ILE B O 1 ATOM 6617 C CB . ILE B 1 197 ? -11.456 2.424 9.610 1.00 9.10 ? 197 ILE B CB 1 ATOM 6618 C CG1 . ILE B 1 197 ? -11.506 3.678 8.719 1.00 8.76 ? 197 ILE B CG1 1 ATOM 6619 C CG2 . ILE B 1 197 ? -11.578 1.122 8.810 1.00 11.63 ? 197 ILE B CG2 1 ATOM 6620 C CD1 . ILE B 1 197 ? -12.783 3.841 7.950 1.00 11.02 ? 197 ILE B CD1 1 ATOM 6621 H H . ILE B 1 197 ? -11.605 3.708 11.950 1.00 9.74 ? 197 ILE B H 1 ATOM 6622 H HA . ILE B 1 197 ? -13.410 2.423 10.345 1.00 10.27 ? 197 ILE B HA 1 ATOM 6623 H HB . ILE B 1 197 ? -10.585 2.415 10.035 1.00 10.91 ? 197 ILE B HB 1 ATOM 6624 H HG12 . ILE B 1 197 ? -11.398 4.462 9.280 1.00 10.50 ? 197 ILE B HG12 1 ATOM 6625 H HG13 . ILE B 1 197 ? -10.780 3.633 8.078 1.00 10.50 ? 197 ILE B HG13 1 ATOM 6626 H HG21 . ILE B 1 197 ? -10.919 1.122 8.112 1.00 13.94 ? 197 ILE B HG21 1 ATOM 6627 H HG22 . ILE B 1 197 ? -11.432 0.379 9.399 1.00 13.94 ? 197 ILE B HG22 1 ATOM 6628 H HG23 . ILE B 1 197 ? -12.458 1.071 8.429 1.00 13.94 ? 197 ILE B HG23 1 ATOM 6629 H HD11 . ILE B 1 197 ? -12.730 4.643 7.424 1.00 13.21 ? 197 ILE B HD11 1 ATOM 6630 H HD12 . ILE B 1 197 ? -12.901 3.080 7.377 1.00 13.21 ? 197 ILE B HD12 1 ATOM 6631 H HD13 . ILE B 1 197 ? -13.515 3.903 8.568 1.00 13.21 ? 197 ILE B HD13 1 ATOM 6632 N N . ILE B 1 198 ? -13.215 0.225 11.473 1.00 9.29 ? 198 ILE B N 1 ATOM 6633 C CA . ILE B 1 198 ? -13.046 -1.053 12.155 1.00 8.79 ? 198 ILE B CA 1 ATOM 6634 C C . ILE B 1 198 ? -12.212 -2.004 11.303 1.00 8.49 ? 198 ILE B C 1 ATOM 6635 O O . ILE B 1 198 ? -12.511 -2.218 10.124 1.00 10.43 ? 198 ILE B O 1 ATOM 6636 C CB . ILE B 1 198 ? -14.397 -1.693 12.463 1.00 9.04 ? 198 ILE B CB 1 ATOM 6637 C CG1 . ILE B 1 198 ? -15.176 -0.741 13.381 1.00 11.00 ? 198 ILE B CG1 1 ATOM 6638 C CG2 . ILE B 1 198 ? -14.194 -3.070 13.096 1.00 10.28 ? 198 ILE B CG2 1 ATOM 6639 C CD1 . ILE B 1 198 ? -16.587 -1.242 13.662 1.00 14.27 ? 198 ILE B CD1 1 ATOM 6640 H H . ILE B 1 198 ? -13.918 0.267 10.980 1.00 11.13 ? 198 ILE B H 1 ATOM 6641 H HA . ILE B 1 198 ? -12.576 -0.907 13.002 1.00 10.53 ? 198 ILE B HA 1 ATOM 6642 H HB . ILE B 1 198 ? -14.888 -1.799 11.634 1.00 10.83 ? 198 ILE B HB 1 ATOM 6643 H HG12 . ILE B 1 198 ? -14.709 -0.663 14.227 1.00 13.19 ? 198 ILE B HG12 1 ATOM 6644 H HG13 . ILE B 1 198 ? -15.243 0.127 12.954 1.00 13.19 ? 198 ILE B HG13 1 ATOM 6645 H HG21 . ILE B 1 198 ? -15.053 -3.457 13.282 1.00 12.32 ? 198 ILE B HG21 1 ATOM 6646 H HG22 . ILE B 1 198 ? -13.710 -3.628 12.482 1.00 12.32 ? 198 ILE B HG22 1 ATOM 6647 H HG23 . ILE B 1 198 ? -13.696 -2.970 13.910 1.00 12.32 ? 198 ILE B HG23 1 ATOM 6648 H HD11 . ILE B 1 198 ? -17.032 -0.615 14.238 1.00 17.11 ? 198 ILE B HD11 1 ATOM 6649 H HD12 . ILE B 1 198 ? -17.063 -1.318 12.832 1.00 17.11 ? 198 ILE B HD12 1 ATOM 6650 H HD13 . ILE B 1 198 ? -16.535 -2.099 14.090 1.00 17.11 ? 198 ILE B HD13 1 ATOM 6651 N N . LYS B 1 199 ? -11.136 -2.525 11.906 1.00 8.19 ? 199 LYS B N 1 ATOM 6652 C CA . LYS B 1 199 ? -10.204 -3.436 11.240 1.00 9.19 ? 199 LYS B CA 1 ATOM 6653 C C . LYS B 1 199 ? -9.898 -4.606 12.146 1.00 9.38 ? 199 LYS B C 1 ATOM 6654 O O . LYS B 1 199 ? -10.105 -4.535 13.345 1.00 9.42 ? 199 LYS B O 1 ATOM 6655 C CB . LYS B 1 199 ? -8.894 -2.709 10.913 1.00 9.12 ? 199 LYS B CB 1 ATOM 6656 C CG . LYS B 1 199 ? -8.996 -1.782 9.712 1.00 10.83 ? 199 LYS B CG 1 ATOM 6657 C CD . LYS B 1 199 ? -9.205 -2.601 8.444 1.00 17.68 ? 199 LYS B CD 1 ATOM 6658 C CE . LYS B 1 199 ? -9.224 -1.743 7.190 1.00 18.47 ? 199 LYS B CE 1 ATOM 6659 N NZ . LYS B 1 199 ? -9.731 -2.605 6.058 1.00 26.40 ? 199 LYS B NZ 1 ATOM 6660 H H . LYS B 1 199 ? -10.922 -2.360 12.723 1.00 9.82 ? 199 LYS B H 1 ATOM 6661 H HA . LYS B 1 199 ? -10.599 -3.771 10.408 1.00 11.02 ? 199 LYS B HA 1 ATOM 6662 H HB2 . LYS B 1 199 ? -8.633 -2.175 11.679 1.00 10.94 ? 199 LYS B HB2 1 ATOM 6663 H HB3 . LYS B 1 199 ? -8.209 -3.368 10.722 1.00 10.94 ? 199 LYS B HB3 1 ATOM 6664 H HG2 . LYS B 1 199 ? -9.753 -1.186 9.824 1.00 12.98 ? 199 LYS B HG2 1 ATOM 6665 H HG3 . LYS B 1 199 ? -8.173 -1.276 9.621 1.00 12.98 ? 199 LYS B HG3 1 ATOM 6666 H HD2 . LYS B 1 199 ? -8.482 -3.242 8.359 1.00 21.20 ? 199 LYS B HD2 1 ATOM 6667 H HD3 . LYS B 1 199 ? -10.055 -3.065 8.504 1.00 21.20 ? 199 LYS B HD3 1 ATOM 6668 H HE2 . LYS B 1 199 ? -9.826 -0.992 7.310 1.00 22.15 ? 199 LYS B HE2 1 ATOM 6669 H HE3 . LYS B 1 199 ? -8.327 -1.441 6.980 1.00 22.15 ? 199 LYS B HE3 1 ATOM 6670 H HZ1 . LYS B 1 199 ? -9.758 -2.096 5.245 1.00 31.67 ? 199 LYS B HZ1 1 ATOM 6671 H HZ2 . LYS B 1 199 ? -9.150 -3.360 5.935 1.00 31.67 ? 199 LYS B HZ2 1 ATOM 6672 H HZ3 . LYS B 1 199 ? -10.616 -2.921 6.257 1.00 31.67 ? 199 LYS B HZ3 1 ATOM 6673 N N . PRO B 1 200 ? -9.424 -5.733 11.593 1.00 9.73 ? 200 PRO B N 1 ATOM 6674 C CA . PRO B 1 200 ? -8.893 -6.798 12.458 1.00 8.92 ? 200 PRO B CA 1 ATOM 6675 C C . PRO B 1 200 ? -7.750 -6.310 13.330 1.00 9.36 ? 200 PRO B C 1 ATOM 6676 O O . PRO B 1 200 ? -6.971 -5.411 12.914 1.00 10.82 ? 200 PRO B O 1 ATOM 6677 C CB . PRO B 1 200 ? -8.366 -7.848 11.459 1.00 11.64 ? 200 PRO B CB 1 ATOM 6678 C CG . PRO B 1 200 ? -9.054 -7.522 10.160 1.00 13.70 ? 200 PRO B CG 1 ATOM 6679 C CD . PRO B 1 200 ? -9.190 -6.002 10.175 1.00 12.51 ? 200 PRO B CD 1 ATOM 6680 H HA . PRO B 1 200 ? -9.600 -7.188 13.014 1.00 10.69 ? 200 PRO B HA 1 ATOM 6681 H HB2 . PRO B 1 200 ? -7.404 -7.761 11.370 1.00 13.96 ? 200 PRO B HB2 1 ATOM 6682 H HB3 . PRO B 1 200 ? -8.605 -8.738 11.762 1.00 13.96 ? 200 PRO B HB3 1 ATOM 6683 H HG2 . PRO B 1 200 ? -8.505 -7.812 9.415 1.00 16.43 ? 200 PRO B HG2 1 ATOM 6684 H HG3 . PRO B 1 200 ? -9.926 -7.947 10.134 1.00 16.43 ? 200 PRO B HG3 1 ATOM 6685 H HD2 . PRO B 1 200 ? -8.367 -5.582 9.879 1.00 15.00 ? 200 PRO B HD2 1 ATOM 6686 H HD3 . PRO B 1 200 ? -9.951 -5.721 9.643 1.00 15.00 ? 200 PRO B HD3 1 ATOM 6687 N N . LEU B 1 201 ? -7.651 -6.879 14.526 1.00 9.51 ? 201 LEU B N 1 ATOM 6688 C CA . LEU B 1 201 ? -6.556 -6.645 15.451 1.00 10.62 ? 201 LEU B CA 1 ATOM 6689 C C . LEU B 1 201 ? -5.396 -7.511 14.980 1.00 13.54 ? 201 LEU B C 1 ATOM 6690 O O . LEU B 1 201 ? -5.493 -8.734 15.044 1.00 16.45 ? 201 LEU B O 1 ATOM 6691 C CB . LEU B 1 201 ? -6.979 -7.092 16.849 1.00 13.06 ? 201 LEU B CB 1 ATOM 6692 C CG . LEU B 1 201 ? -5.849 -7.194 17.868 1.00 14.62 ? 201 LEU B CG 1 ATOM 6693 C CD1 . LEU B 1 201 ? -5.259 -5.858 18.103 1.00 13.82 ? 201 LEU B CD1 1 ATOM 6694 C CD2 . LEU B 1 201 ? -6.393 -7.776 19.177 1.00 20.09 ? 201 LEU B CD2 1 ATOM 6695 H H . LEU B 1 201 ? -8.236 -7.429 14.834 1.00 11.40 ? 201 LEU B H 1 ATOM 6696 H HA . LEU B 1 201 ? -6.293 -5.701 15.461 1.00 12.73 ? 201 LEU B HA 1 ATOM 6697 H HB2 . LEU B 1 201 ? -7.626 -6.456 17.193 1.00 15.66 ? 201 LEU B HB2 1 ATOM 6698 H HB3 . LEU B 1 201 ? -7.391 -7.968 16.781 1.00 15.66 ? 201 LEU B HB3 1 ATOM 6699 H HG . LEU B 1 201 ? -5.157 -7.784 17.530 1.00 17.53 ? 201 LEU B HG 1 ATOM 6700 H HD11 . LEU B 1 201 ? -4.550 -5.939 18.745 1.00 16.57 ? 201 LEU B HD11 1 ATOM 6701 H HD12 . LEU B 1 201 ? -4.913 -5.519 17.274 1.00 16.57 ? 201 LEU B HD12 1 ATOM 6702 H HD13 . LEU B 1 201 ? -5.940 -5.271 18.439 1.00 16.57 ? 201 LEU B HD13 1 ATOM 6703 H HD21 . LEU B 1 201 ? -5.676 -7.837 19.813 1.00 24.10 ? 201 LEU B HD21 1 ATOM 6704 H HD22 . LEU B 1 201 ? -7.081 -7.198 19.514 1.00 24.10 ? 201 LEU B HD22 1 ATOM 6705 H HD23 . LEU B 1 201 ? -6.753 -8.649 19.005 1.00 24.10 ? 201 LEU B HD23 1 ATOM 6706 N N . VAL B 1 202 ? -4.329 -6.892 14.490 1.00 9.27 ? 202 VAL B N 1 ATOM 6707 C CA . VAL B 1 202 ? -3.205 -7.680 13.946 1.00 9.39 ? 202 VAL B CA 1 ATOM 6708 C C . VAL B 1 202 ? -1.943 -7.650 14.799 1.00 11.81 ? 202 VAL B C 1 ATOM 6709 O O . VAL B 1 202 ? -0.950 -8.326 14.453 1.00 13.21 ? 202 VAL B O 1 ATOM 6710 C CB . VAL B 1 202 ? -2.809 -7.213 12.534 1.00 9.69 ? 202 VAL B CB 1 ATOM 6711 C CG1 . VAL B 1 202 ? -4.006 -7.221 11.604 1.00 14.04 ? 202 VAL B CG1 1 ATOM 6712 C CG2 . VAL B 1 202 ? -2.169 -5.822 12.532 1.00 10.74 ? 202 VAL B CG2 1 ATOM 6713 H H . VAL B 1 202 ? -4.222 -6.039 14.456 1.00 11.11 ? 202 VAL B H 1 ATOM 6714 H HA . VAL B 1 202 ? -3.490 -8.615 13.878 1.00 11.25 ? 202 VAL B HA 1 ATOM 6715 H HB . VAL B 1 202 ? -2.150 -7.841 12.171 1.00 11.61 ? 202 VAL B HB 1 ATOM 6716 H HG11 . VAL B 1 202 ? -3.727 -6.926 10.734 1.00 16.84 ? 202 VAL B HG11 1 ATOM 6717 H HG12 . VAL B 1 202 ? -4.354 -8.114 11.551 1.00 16.84 ? 202 VAL B HG12 1 ATOM 6718 H HG13 . VAL B 1 202 ? -4.676 -6.628 11.952 1.00 16.84 ? 202 VAL B HG13 1 ATOM 6719 H HG21 . VAL B 1 202 ? -1.944 -5.583 11.630 1.00 12.87 ? 202 VAL B HG21 1 ATOM 6720 H HG22 . VAL B 1 202 ? -2.796 -5.190 12.892 1.00 12.87 ? 202 VAL B HG22 1 ATOM 6721 H HG23 . VAL B 1 202 ? -1.377 -5.842 13.074 1.00 12.87 ? 202 VAL B HG23 1 ATOM 6722 N N . TRP B 1 203 ? -1.960 -6.861 15.882 1.00 10.31 ? 203 TRP B N 1 ATOM 6723 C CA . TRP B 1 203 ? -0.760 -6.583 16.665 1.00 9.54 ? 203 TRP B CA 1 ATOM 6724 C C . TRP B 1 203 ? -0.761 -7.240 18.042 1.00 16.71 ? 203 TRP B C 1 ATOM 6725 O O . TRP B 1 203 ? 0.186 -7.064 18.821 1.00 24.36 ? 203 TRP B O 1 ATOM 6726 C CB . TRP B 1 203 ? -0.528 -5.093 16.811 1.00 11.55 ? 203 TRP B CB 1 ATOM 6727 C CG . TRP B 1 203 ? -1.747 -4.267 17.057 1.00 11.38 ? 203 TRP B CG 1 ATOM 6728 C CD1 . TRP B 1 203 ? -2.493 -3.651 16.115 1.00 10.33 ? 203 TRP B CD1 1 ATOM 6729 C CD2 . TRP B 1 203 ? -2.324 -3.900 18.334 1.00 9.64 ? 203 TRP B CD2 1 ATOM 6730 N NE1 . TRP B 1 203 ? -3.511 -2.955 16.698 1.00 9.84 ? 203 TRP B NE1 1 ATOM 6731 C CE2 . TRP B 1 203 ? -3.421 -3.068 18.062 1.00 8.18 ? 203 TRP B CE2 1 ATOM 6732 C CE3 . TRP B 1 203 ? -2.012 -4.191 19.667 1.00 12.22 ? 203 TRP B CE3 1 ATOM 6733 C CZ2 . TRP B 1 203 ? -4.217 -2.512 19.069 1.00 8.61 ? 203 TRP B CZ2 1 ATOM 6734 C CZ3 . TRP B 1 203 ? -2.801 -3.649 20.660 1.00 10.65 ? 203 TRP B CZ3 1 ATOM 6735 C CH2 . TRP B 1 203 ? -3.885 -2.822 20.353 1.00 9.99 ? 203 TRP B CH2 1 ATOM 6736 H H . TRP B 1 203 ? -2.666 -6.473 16.183 1.00 12.36 ? 203 TRP B H 1 ATOM 6737 H HA . TRP B 1 203 ? 0.009 -6.946 16.176 1.00 11.44 ? 203 TRP B HA 1 ATOM 6738 H HB2 . TRP B 1 203 ? 0.075 -4.949 17.557 1.00 13.85 ? 203 TRP B HB2 1 ATOM 6739 H HB3 . TRP B 1 203 ? -0.117 -4.766 15.996 1.00 13.85 ? 203 TRP B HB3 1 ATOM 6740 H HD1 . TRP B 1 203 ? -2.351 -3.717 15.198 1.00 12.38 ? 203 TRP B HD1 1 ATOM 6741 H HE1 . TRP B 1 203 ? -4.099 -2.490 16.277 1.00 11.79 ? 203 TRP B HE1 1 ATOM 6742 H HE3 . TRP B 1 203 ? -1.278 -4.721 19.879 1.00 14.65 ? 203 TRP B HE3 1 ATOM 6743 H HZ2 . TRP B 1 203 ? -4.956 -1.984 18.870 1.00 10.32 ? 203 TRP B HZ2 1 ATOM 6744 H HZ3 . TRP B 1 203 ? -2.603 -3.830 21.550 1.00 12.77 ? 203 TRP B HZ3 1 ATOM 6745 H HH2 . TRP B 1 203 ? -4.406 -2.487 21.047 1.00 11.98 ? 203 TRP B HH2 1 ATOM 6746 N N . VAL B 1 204 ? -1.814 -7.944 18.376 1.00 17.32 ? 204 VAL B N 1 ATOM 6747 C CA . VAL B 1 204 ? -1.660 -8.983 19.397 1.00 38.34 ? 204 VAL B CA 1 ATOM 6748 C C . VAL B 1 204 ? -1.463 -10.310 18.672 1.00 55.85 ? 204 VAL B C 1 ATOM 6749 O O . VAL B 1 204 ? -0.479 -11.020 18.912 1.00 52.76 ? 204 VAL B O 1 ATOM 6750 C CB . VAL B 1 204 ? -2.880 -9.055 20.340 1.00 39.33 ? 204 VAL B CB 1 ATOM 6751 C CG1 . VAL B 1 204 ? -2.756 -10.220 21.333 1.00 51.66 ? 204 VAL B CG1 1 ATOM 6752 C CG2 . VAL B 1 204 ? -3.018 -7.759 21.070 1.00 21.28 ? 204 VAL B CG2 1 ATOM 6753 O OXT . VAL B 1 204 ? -2.275 -10.674 17.808 1.00 60.89 ? 204 VAL B OXT 1 ATOM 6754 H H . VAL B 1 204 ? -2.605 -7.856 18.050 1.00 20.78 ? 204 VAL B H 1 ATOM 6755 H HA . VAL B 1 204 ? -0.862 -8.799 19.935 1.00 46.00 ? 204 VAL B HA 1 ATOM 6756 H HB . VAL B 1 204 ? -3.691 -9.193 19.807 1.00 47.19 ? 204 VAL B HB 1 ATOM 6757 H HG11 . VAL B 1 204 ? -3.531 -10.231 21.899 1.00 61.98 ? 204 VAL B HG11 1 ATOM 6758 H HG12 . VAL B 1 204 ? -2.696 -11.043 20.842 1.00 61.98 ? 204 VAL B HG12 1 ATOM 6759 H HG13 . VAL B 1 204 ? -1.964 -10.095 21.862 1.00 61.98 ? 204 VAL B HG13 1 ATOM 6760 H HG21 . VAL B 1 204 ? -3.778 -7.809 21.655 1.00 25.52 ? 204 VAL B HG21 1 ATOM 6761 H HG22 . VAL B 1 204 ? -2.220 -7.603 21.582 1.00 25.52 ? 204 VAL B HG22 1 ATOM 6762 H HG23 . VAL B 1 204 ? -3.141 -7.052 20.432 1.00 25.52 ? 204 VAL B HG23 1 ATOM 6763 N N . HIS C 1 1 ? 10.513 -10.077 -17.171 1.00 22.79 ? 1 HIS C N 1 ATOM 6764 C CA . HIS C 1 1 ? 11.547 -10.700 -18.026 1.00 33.67 ? 1 HIS C CA 1 ATOM 6765 C C . HIS C 1 1 ? 12.828 -11.167 -17.359 1.00 15.59 ? 1 HIS C C 1 ATOM 6766 O O . HIS C 1 1 ? 13.432 -12.059 -17.898 1.00 19.84 ? 1 HIS C O 1 ATOM 6767 C CB . HIS C 1 1 ? 11.838 -9.793 -19.217 1.00 21.22 ? 1 HIS C CB 1 ATOM 6768 C CG . HIS C 1 1 ? 10.580 -9.208 -19.776 1.00 38.41 ? 1 HIS C CG 1 ATOM 6769 N ND1 . HIS C 1 1 ? 9.576 -8.735 -18.960 1.00 41.10 ? 1 HIS C ND1 1 ATOM 6770 C CD2 . HIS C 1 1 ? 10.118 -9.099 -21.045 1.00 53.09 ? 1 HIS C CD2 1 ATOM 6771 C CE1 . HIS C 1 1 ? 8.568 -8.311 -19.700 1.00 40.51 ? 1 HIS C CE1 1 ATOM 6772 N NE2 . HIS C 1 1 ? 8.868 -8.527 -20.970 1.00 49.76 ? 1 HIS C NE2 1 ATOM 6773 H H1 . HIS C 1 1 ? 9.642 -10.310 -17.502 1.00 27.34 ? 1 HIS C H1 1 ATOM 6774 H H2 . HIS C 1 1 ? 10.609 -10.394 -16.270 1.00 27.34 ? 1 HIS C H2 1 ATOM 6775 H H3 . HIS C 1 1 ? 10.617 -9.123 -17.188 1.00 27.34 ? 1 HIS C H3 1 ATOM 6776 H HA . HIS C 1 1 ? 11.142 -11.509 -18.403 1.00 40.39 ? 1 HIS C HA 1 ATOM 6777 H HB2 . HIS C 1 1 ? 12.412 -9.064 -18.933 1.00 25.45 ? 1 HIS C HB2 1 ATOM 6778 H HB3 . HIS C 1 1 ? 12.270 -10.309 -19.916 1.00 25.45 ? 1 HIS C HB3 1 ATOM 6779 H HD2 . HIS C 1 1 ? 10.567 -9.346 -21.821 1.00 63.69 ? 1 HIS C HD2 1 ATOM 6780 H HE1 . HIS C 1 1 ? 7.780 -7.932 -19.382 1.00 48.60 ? 1 HIS C HE1 1 ATOM 6781 H HE2 . HIS C 1 1 ? 8.368 -8.330 -21.642 1.00 59.70 ? 1 HIS C HE2 1 ATOM 6782 N N . THR C 1 2 ? 13.244 -10.620 -16.199 1.00 12.57 ? 2 THR C N 1 ATOM 6783 C CA . THR C 1 2 ? 14.449 -11.119 -15.516 1.00 11.67 ? 2 THR C CA 1 ATOM 6784 C C . THR C 1 2 ? 14.149 -11.621 -14.111 1.00 10.96 ? 2 THR C C 1 ATOM 6785 O O . THR C 1 2 ? 13.437 -10.953 -13.353 1.00 11.14 ? 2 THR C O 1 ATOM 6786 C CB . THR C 1 2 ? 15.542 -10.025 -15.412 1.00 15.09 ? 2 THR C CB 1 ATOM 6787 O OG1 . THR C 1 2 ? 15.856 -9.578 -16.728 1.00 20.34 ? 2 THR C OG1 1 ATOM 6788 C CG2 . THR C 1 2 ? 16.807 -10.545 -14.723 1.00 16.13 ? 2 THR C CG2 1 ATOM 6789 H H . THR C 1 2 ? 12.851 -9.970 -15.797 1.00 15.08 ? 2 THR C H 1 ATOM 6790 H HA . THR C 1 2 ? 14.818 -11.867 -16.030 1.00 13.99 ? 2 THR C HA 1 ATOM 6791 H HB . THR C 1 2 ? 15.200 -9.280 -14.894 1.00 18.10 ? 2 THR C HB 1 ATOM 6792 H HG1 . THR C 1 2 ? 16.434 -8.997 -16.697 1.00 24.39 ? 2 THR C HG1 1 ATOM 6793 H HG21 . THR C 1 2 ? 17.464 -9.847 -14.674 1.00 19.34 ? 2 THR C HG21 1 ATOM 6794 H HG22 . THR C 1 2 ? 16.598 -10.841 -13.834 1.00 19.34 ? 2 THR C HG22 1 ATOM 6795 H HG23 . THR C 1 2 ? 17.171 -11.282 -15.220 1.00 19.34 ? 2 THR C HG23 1 ATOM 6796 N N . ASP C 1 3 ? 14.672 -12.781 -13.739 1.00 9.43 ? 3 ASP C N 1 ATOM 6797 C CA . ASP C 1 3 ? 14.519 -13.351 -12.401 1.00 8.28 ? 3 ASP C CA 1 ATOM 6798 C C . ASP C 1 3 ? 15.671 -12.924 -11.530 1.00 9.70 ? 3 ASP C C 1 ATOM 6799 O O . ASP C 1 3 ? 16.808 -13.392 -11.672 1.00 9.84 ? 3 ASP C O 1 ATOM 6800 C CB . ASP C 1 3 ? 14.467 -14.876 -12.507 1.00 9.51 ? 3 ASP C CB 1 ATOM 6801 C CG . ASP C 1 3 ? 14.323 -15.566 -11.199 1.00 12.08 ? 3 ASP C CG 1 ATOM 6802 O OD1 . ASP C 1 3 ? 14.212 -14.905 -10.131 1.00 9.05 ? 3 ASP C OD1 1 ATOM 6803 O OD2 . ASP C 1 3 ? 14.279 -16.822 -11.204 1.00 15.75 ? 3 ASP C OD2 1 ATOM 6804 H H . ASP C 1 3 ? 15.139 -13.278 -14.264 1.00 11.30 ? 3 ASP C H 1 ATOM 6805 H HA . ASP C 1 3 ? 13.684 -13.033 -11.998 1.00 9.92 ? 3 ASP C HA 1 ATOM 6806 H HB2 . ASP C 1 3 ? 13.708 -15.125 -13.058 1.00 11.40 ? 3 ASP C HB2 1 ATOM 6807 H HB3 . ASP C 1 3 ? 15.288 -15.189 -12.918 1.00 11.40 ? 3 ASP C HB3 1 ATOM 6808 N N . LEU C 1 4 ? 15.386 -12.009 -10.601 1.00 8.78 ? 4 LEU C N 1 ATOM 6809 C CA . LEU C 1 4 ? 16.419 -11.478 -9.728 1.00 9.08 ? 4 LEU C CA 1 ATOM 6810 C C . LEU C 1 4 ? 16.435 -12.195 -8.381 1.00 8.94 ? 4 LEU C C 1 ATOM 6811 O O . LEU C 1 4 ? 17.033 -11.710 -7.414 1.00 8.67 ? 4 LEU C O 1 ATOM 6812 C CB . LEU C 1 4 ? 16.189 -9.958 -9.531 1.00 8.36 ? 4 LEU C CB 1 ATOM 6813 C CG . LEU C 1 4 ? 16.432 -9.133 -10.787 1.00 9.59 ? 4 LEU C CG 1 ATOM 6814 C CD1 . LEU C 1 4 ? 16.170 -7.657 -10.492 1.00 12.60 ? 4 LEU C CD1 1 ATOM 6815 C CD2 . LEU C 1 4 ? 17.836 -9.308 -11.282 1.00 11.95 ? 4 LEU C CD2 1 ATOM 6816 H H . LEU C 1 4 ? 14.602 -11.683 -10.461 1.00 10.53 ? 4 LEU C H 1 ATOM 6817 H HA . LEU C 1 4 ? 17.294 -11.603 -10.151 1.00 10.88 ? 4 LEU C HA 1 ATOM 6818 H HB2 . LEU C 1 4 ? 15.270 -9.814 -9.255 1.00 10.02 ? 4 LEU C HB2 1 ATOM 6819 H HB3 . LEU C 1 4 ? 16.793 -9.637 -8.844 1.00 10.02 ? 4 LEU C HB3 1 ATOM 6820 H HG . LEU C 1 4 ? 15.822 -9.420 -11.485 1.00 11.50 ? 4 LEU C HG 1 ATOM 6821 H HD11 . LEU C 1 4 ? 16.327 -7.146 -11.290 1.00 15.11 ? 4 LEU C HD11 1 ATOM 6822 H HD12 . LEU C 1 4 ? 15.259 -7.551 -10.208 1.00 15.11 ? 4 LEU C HD12 1 ATOM 6823 H HD13 . LEU C 1 4 ? 16.765 -7.367 -9.796 1.00 15.11 ? 4 LEU C HD13 1 ATOM 6824 H HD21 . LEU C 1 4 ? 17.956 -8.776 -12.072 1.00 14.33 ? 4 LEU C HD21 1 ATOM 6825 H HD22 . LEU C 1 4 ? 18.446 -9.021 -10.598 1.00 14.33 ? 4 LEU C HD22 1 ATOM 6826 H HD23 . LEU C 1 4 ? 17.983 -10.234 -11.484 1.00 14.33 ? 4 LEU C HD23 1 ATOM 6827 N N . SER C 1 5 ? 15.787 -13.365 -8.265 1.00 9.79 ? 5 SER C N 1 ATOM 6828 C CA . SER C 1 5 ? 15.900 -14.187 -7.042 1.00 10.30 ? 5 SER C CA 1 ATOM 6829 C C . SER C 1 5 ? 17.361 -14.267 -6.578 1.00 9.08 ? 5 SER C C 1 ATOM 6830 O O . SER C 1 5 ? 18.260 -14.579 -7.369 1.00 10.89 ? 5 SER C O 1 ATOM 6831 C CB . SER C 1 5 ? 15.454 -15.639 -7.339 1.00 13.40 ? 5 SER C CB 1 ATOM 6832 O OG . SER C 1 5 ? 14.088 -15.705 -7.626 1.00 16.13 ? 5 SER C OG 1 ATOM 6833 H H . SER C 1 5 ? 15.281 -13.704 -8.872 1.00 11.74 ? 5 SER C H 1 ATOM 6834 H HA . SER C 1 5 ? 15.347 -13.814 -6.324 1.00 12.34 ? 5 SER C HA 1 ATOM 6835 H HB2 . SER C 1 5 ? 15.952 -15.970 -8.103 1.00 16.07 ? 5 SER C HB2 1 ATOM 6836 H HB3 . SER C 1 5 ? 15.639 -16.189 -6.562 1.00 16.07 ? 5 SER C HB3 1 ATOM 6837 H HG . SER C 1 5 ? 13.872 -16.481 -7.780 1.00 19.34 ? 5 SER C HG 1 ATOM 6838 N N . GLY C 1 6 ? 17.595 -14.023 -5.278 1.00 9.98 ? 6 GLY C N 1 ATOM 6839 C CA . GLY C 1 6 ? 18.931 -14.106 -4.730 1.00 9.18 ? 6 GLY C CA 1 ATOM 6840 C C . GLY C 1 6 ? 19.851 -12.949 -5.037 1.00 9.09 ? 6 GLY C C 1 ATOM 6841 O O . GLY C 1 6 ? 21.019 -13.033 -4.678 1.00 10.34 ? 6 GLY C O 1 ATOM 6842 H H . GLY C 1 6 ? 16.990 -13.810 -4.704 1.00 11.97 ? 6 GLY C H 1 ATOM 6843 H HA2 . GLY C 1 6 ? 18.867 -14.183 -3.765 1.00 11.00 ? 6 GLY C HA2 1 ATOM 6844 H HA3 . GLY C 1 6 ? 19.353 -14.914 -5.064 1.00 11.00 ? 6 GLY C HA3 1 ATOM 6845 N N . LYS C 1 7 ? 19.309 -11.889 -5.656 1.00 8.90 ? 7 LYS C N 1 ATOM 6846 C CA A LYS C 1 7 ? 20.091 -10.755 -6.147 0.56 6.95 ? 7 LYS C CA 1 ATOM 6847 C CA B LYS C 1 7 ? 20.128 -10.756 -6.068 0.44 8.71 ? 7 LYS C CA 1 ATOM 6848 C C . LYS C 1 7 ? 19.486 -9.439 -5.640 1.00 7.79 ? 7 LYS C C 1 ATOM 6849 O O . LYS C 1 7 ? 18.309 -9.370 -5.334 1.00 10.11 ? 7 LYS C O 1 ATOM 6850 C CB A LYS C 1 7 ? 20.123 -10.741 -7.667 0.56 8.75 ? 7 LYS C CB 1 ATOM 6851 C CB B LYS C 1 7 ? 20.374 -10.757 -7.570 0.44 8.81 ? 7 LYS C CB 1 ATOM 6852 C CG A LYS C 1 7 ? 20.612 -12.062 -8.277 0.56 9.50 ? 7 LYS C CG 1 ATOM 6853 C CG B LYS C 1 7 ? 21.176 -11.977 -8.078 0.44 10.02 ? 7 LYS C CG 1 ATOM 6854 C CD A LYS C 1 7 ? 20.790 -12.007 -9.748 0.56 11.83 ? 7 LYS C CD 1 ATOM 6855 C CD B LYS C 1 7 ? 21.348 -11.935 -9.567 0.44 12.54 ? 7 LYS C CD 1 ATOM 6856 C CE A LYS C 1 7 ? 21.383 -13.351 -10.222 0.56 14.91 ? 7 LYS C CE 1 ATOM 6857 C CE B LYS C 1 7 ? 22.028 -13.218 -10.072 0.44 18.71 ? 7 LYS C CE 1 ATOM 6858 N NZ A LYS C 1 7 ? 21.630 -13.369 -11.674 0.56 20.55 ? 7 LYS C NZ 1 ATOM 6859 N NZ B LYS C 1 7 ? 21.180 -14.417 -9.848 0.44 20.43 ? 7 LYS C NZ 1 ATOM 6860 H H A LYS C 1 7 ? 18.466 -11.807 -5.804 0.56 10.67 ? 7 LYS C H 1 ATOM 6861 H H B LYS C 1 7 ? 18.474 -11.808 -5.845 0.44 10.67 ? 7 LYS C H 1 ATOM 6862 H HA A LYS C 1 7 ? 21.011 -10.824 -5.816 0.56 8.33 ? 7 LYS C HA 1 ATOM 6863 H HA B LYS C 1 7 ? 20.999 -10.821 -5.624 0.44 10.44 ? 7 LYS C HA 1 ATOM 6864 H HB2 A LYS C 1 7 ? 19.228 -10.572 -7.999 0.56 10.49 ? 7 LYS C HB2 1 ATOM 6865 H HB2 B LYS C 1 7 ? 19.518 -10.756 -8.026 0.44 10.56 ? 7 LYS C HB2 1 ATOM 6866 H HB3 A LYS C 1 7 ? 20.723 -10.037 -7.962 0.56 10.49 ? 7 LYS C HB3 1 ATOM 6867 H HB3 B LYS C 1 7 ? 20.871 -9.958 -7.805 0.44 10.56 ? 7 LYS C HB3 1 ATOM 6868 H HG2 A LYS C 1 7 ? 21.467 -12.292 -7.882 0.56 11.39 ? 7 LYS C HG2 1 ATOM 6869 H HG2 B LYS C 1 7 ? 22.056 -11.975 -7.669 0.44 12.01 ? 7 LYS C HG2 1 ATOM 6870 H HG3 A LYS C 1 7 ? 19.962 -12.756 -8.083 0.56 11.39 ? 7 LYS C HG3 1 ATOM 6871 H HG3 B LYS C 1 7 ? 20.701 -12.792 -7.849 0.44 12.01 ? 7 LYS C HG3 1 ATOM 6872 H HD2 A LYS C 1 7 ? 19.932 -11.874 -10.179 0.56 14.19 ? 7 LYS C HD2 1 ATOM 6873 H HD2 B LYS C 1 7 ? 20.478 -11.861 -9.990 0.44 15.04 ? 7 LYS C HD2 1 ATOM 6874 H HD3 A LYS C 1 7 ? 21.407 -11.294 -9.978 0.56 14.19 ? 7 LYS C HD3 1 ATOM 6875 H HD3 B LYS C 1 7 ? 21.906 -11.178 -9.806 0.44 15.04 ? 7 LYS C HD3 1 ATOM 6876 H HE2 A LYS C 1 7 ? 22.227 -13.503 -9.770 0.56 17.89 ? 7 LYS C HE2 1 ATOM 6877 H HE2 B LYS C 1 7 ? 22.194 -13.138 -11.024 0.44 22.45 ? 7 LYS C HE2 1 ATOM 6878 H HE3 A LYS C 1 7 ? 20.760 -14.064 -10.013 0.56 17.89 ? 7 LYS C HE3 1 ATOM 6879 H HE3 B LYS C 1 7 ? 22.864 -13.345 -9.596 0.44 22.45 ? 7 LYS C HE3 1 ATOM 6880 H HZ1 A LYS C 1 7 ? 22.251 -12.675 -11.909 0.56 24.65 ? 7 LYS C HZ1 1 ATOM 6881 H HZ1 B LYS C 1 7 ? 21.628 -15.201 -10.172 0.44 24.50 ? 7 LYS C HZ1 1 ATOM 6882 H HZ2 A LYS C 1 7 ? 21.998 -14.217 -11.933 0.56 24.65 ? 7 LYS C HZ2 1 ATOM 6883 H HZ2 B LYS C 1 7 ? 21.003 -14.523 -8.911 0.44 24.50 ? 7 LYS C HZ2 1 ATOM 6884 H HZ3 A LYS C 1 7 ? 20.808 -13.227 -12.148 0.56 24.65 ? 7 LYS C HZ3 1 ATOM 6885 H HZ3 B LYS C 1 7 ? 20.345 -14.319 -10.313 0.44 24.50 ? 7 LYS C HZ3 1 ATOM 6886 N N . VAL C 1 8 ? 20.325 -8.414 -5.603 1.00 8.11 ? 8 VAL C N 1 ATOM 6887 C CA . VAL C 1 8 ? 19.935 -7.058 -5.244 1.00 6.35 ? 8 VAL C CA 1 ATOM 6888 C C . VAL C 1 8 ? 20.387 -6.081 -6.310 1.00 6.41 ? 8 VAL C C 1 ATOM 6889 O O . VAL C 1 8 ? 21.330 -6.335 -7.051 1.00 8.17 ? 8 VAL C O 1 ATOM 6890 C CB . VAL C 1 8 ? 20.580 -6.610 -3.905 1.00 8.97 ? 8 VAL C CB 1 ATOM 6891 C CG1 . VAL C 1 8 ? 20.006 -7.397 -2.721 1.00 11.16 ? 8 VAL C CG1 1 ATOM 6892 C CG2 . VAL C 1 8 ? 22.096 -6.754 -3.897 1.00 8.85 ? 8 VAL C CG2 1 ATOM 6893 H H . VAL C 1 8 ? 21.161 -8.484 -5.790 1.00 9.71 ? 8 VAL C H 1 ATOM 6894 H HA . VAL C 1 8 ? 18.961 -7.004 -5.159 1.00 7.61 ? 8 VAL C HA 1 ATOM 6895 H HB . VAL C 1 8 ? 20.372 -5.663 -3.760 1.00 10.75 ? 8 VAL C HB 1 ATOM 6896 H HG11 . VAL C 1 8 ? 20.426 -7.095 -1.912 1.00 13.38 ? 8 VAL C HG11 1 ATOM 6897 H HG12 . VAL C 1 8 ? 19.059 -7.246 -2.674 1.00 13.38 ? 8 VAL C HG12 1 ATOM 6898 H HG13 . VAL C 1 8 ? 20.183 -8.332 -2.852 1.00 13.38 ? 8 VAL C HG13 1 ATOM 6899 H HG21 . VAL C 1 8 ? 22.433 -6.463 -3.047 1.00 10.61 ? 8 VAL C HG21 1 ATOM 6900 H HG22 . VAL C 1 8 ? 22.323 -7.676 -4.041 1.00 10.61 ? 8 VAL C HG22 1 ATOM 6901 H HG23 . VAL C 1 8 ? 22.465 -6.213 -4.599 1.00 10.61 ? 8 VAL C HG23 1 ATOM 6902 N N . PHE C 1 9 ? 19.731 -4.919 -6.359 1.00 7.17 ? 9 PHE C N 1 ATOM 6903 C CA . PHE C 1 9 ? 20.324 -3.748 -6.978 1.00 6.58 ? 9 PHE C CA 1 ATOM 6904 C C . PHE C 1 9 ? 21.194 -3.037 -5.959 1.00 7.43 ? 9 PHE C C 1 ATOM 6905 O O . PHE C 1 9 ? 20.727 -2.779 -4.838 1.00 7.01 ? 9 PHE C O 1 ATOM 6906 C CB . PHE C 1 9 ? 19.256 -2.756 -7.439 1.00 7.45 ? 9 PHE C CB 1 ATOM 6907 C CG . PHE C 1 9 ? 18.415 -3.224 -8.586 1.00 8.39 ? 9 PHE C CG 1 ATOM 6908 C CD1 . PHE C 1 9 ? 18.982 -3.608 -9.777 1.00 10.80 ? 9 PHE C CD1 1 ATOM 6909 C CD2 . PHE C 1 9 ? 17.051 -3.185 -8.497 1.00 9.49 ? 9 PHE C CD2 1 ATOM 6910 C CE1 . PHE C 1 9 ? 18.154 -4.027 -10.865 1.00 11.03 ? 9 PHE C CE1 1 ATOM 6911 C CE2 . PHE C 1 9 ? 16.232 -3.583 -9.549 1.00 9.73 ? 9 PHE C CE2 1 ATOM 6912 C CZ . PHE C 1 9 ? 16.800 -3.991 -10.739 1.00 9.71 ? 9 PHE C CZ 1 ATOM 6913 H H . PHE C 1 9 ? 18.943 -4.789 -6.041 1.00 8.59 ? 9 PHE C H 1 ATOM 6914 H HA . PHE C 1 9 ? 20.874 -4.011 -7.746 1.00 7.89 ? 9 PHE C HA 1 ATOM 6915 H HB2 . PHE C 1 9 ? 18.661 -2.575 -6.694 1.00 8.93 ? 9 PHE C HB2 1 ATOM 6916 H HB3 . PHE C 1 9 ? 19.694 -1.935 -7.712 1.00 8.93 ? 9 PHE C HB3 1 ATOM 6917 H HD1 . PHE C 1 9 ? 19.908 -3.631 -9.864 1.00 12.95 ? 9 PHE C HD1 1 ATOM 6918 H HD2 . PHE C 1 9 ? 16.660 -2.908 -7.700 1.00 11.37 ? 9 PHE C HD2 1 ATOM 6919 H HE1 . PHE C 1 9 ? 18.540 -4.303 -11.664 1.00 13.23 ? 9 PHE C HE1 1 ATOM 6920 H HE2 . PHE C 1 9 ? 15.307 -3.564 -9.454 1.00 11.66 ? 9 PHE C HE2 1 ATOM 6921 H HZ . PHE C 1 9 ? 16.259 -4.264 -11.445 1.00 11.64 ? 9 PHE C HZ 1 ATOM 6922 N N . VAL C 1 10 ? 22.433 -2.735 -6.332 1.00 7.59 ? 10 VAL C N 1 ATOM 6923 C CA . VAL C 1 10 ? 23.346 -1.957 -5.496 1.00 7.21 ? 10 VAL C CA 1 ATOM 6924 C C . VAL C 1 10 ? 23.475 -0.566 -6.103 1.00 6.78 ? 10 VAL C C 1 ATOM 6925 O O . VAL C 1 10 ? 23.865 -0.442 -7.258 1.00 8.43 ? 10 VAL C O 1 ATOM 6926 C CB . VAL C 1 10 ? 24.728 -2.563 -5.390 1.00 8.59 ? 10 VAL C CB 1 ATOM 6927 C CG1 . VAL C 1 10 ? 25.554 -1.752 -4.408 1.00 9.64 ? 10 VAL C CG1 1 ATOM 6928 C CG2 . VAL C 1 10 ? 24.688 -4.065 -4.974 1.00 10.19 ? 10 VAL C CG2 1 ATOM 6929 H H . VAL C 1 10 ? 22.778 -2.975 -7.082 1.00 9.09 ? 10 VAL C H 1 ATOM 6930 H HA . VAL C 1 10 ? 22.972 -1.871 -4.594 1.00 8.64 ? 10 VAL C HA 1 ATOM 6931 H HB . VAL C 1 10 ? 25.164 -2.507 -6.265 1.00 10.30 ? 10 VAL C HB 1 ATOM 6932 H HG11 . VAL C 1 10 ? 26.430 -2.139 -4.343 1.00 11.56 ? 10 VAL C HG11 1 ATOM 6933 H HG12 . VAL C 1 10 ? 25.617 -0.848 -4.725 1.00 11.56 ? 10 VAL C HG12 1 ATOM 6934 H HG13 . VAL C 1 10 ? 25.124 -1.769 -3.550 1.00 11.56 ? 10 VAL C HG13 1 ATOM 6935 H HG21 . VAL C 1 10 ? 25.587 -4.398 -4.922 1.00 12.22 ? 10 VAL C HG21 1 ATOM 6936 H HG22 . VAL C 1 10 ? 24.260 -4.141 -4.118 1.00 12.22 ? 10 VAL C HG22 1 ATOM 6937 H HG23 . VAL C 1 10 ? 24.193 -4.558 -5.633 1.00 12.22 ? 10 VAL C HG23 1 ATOM 6938 N N . PHE C 1 11 ? 23.047 0.461 -5.354 1.00 7.32 ? 11 PHE C N 1 ATOM 6939 C CA . PHE C 1 11 ? 23.213 1.867 -5.731 1.00 8.22 ? 11 PHE C CA 1 ATOM 6940 C C . PHE C 1 11 ? 24.445 2.306 -4.945 1.00 9.38 ? 11 PHE C C 1 ATOM 6941 O O . PHE C 1 11 ? 24.339 2.621 -3.748 1.00 8.23 ? 11 PHE C O 1 ATOM 6942 C CB . PHE C 1 11 ? 21.967 2.658 -5.313 1.00 7.95 ? 11 PHE C CB 1 ATOM 6943 C CG . PHE C 1 11 ? 20.708 2.161 -5.974 1.00 7.25 ? 11 PHE C CG 1 ATOM 6944 C CD1 . PHE C 1 11 ? 20.002 1.108 -5.445 1.00 7.04 ? 11 PHE C CD1 1 ATOM 6945 C CD2 . PHE C 1 11 ? 20.261 2.716 -7.150 1.00 9.34 ? 11 PHE C CD2 1 ATOM 6946 C CE1 . PHE C 1 11 ? 18.867 0.624 -6.053 1.00 10.13 ? 11 PHE C CE1 1 ATOM 6947 C CE2 . PHE C 1 11 ? 19.101 2.234 -7.750 1.00 9.40 ? 11 PHE C CE2 1 ATOM 6948 C CZ . PHE C 1 11 ? 18.424 1.184 -7.205 1.00 9.02 ? 11 PHE C CZ 1 ATOM 6949 H H . PHE C 1 11 ? 22.646 0.360 -4.599 1.00 8.78 ? 11 PHE C H 1 ATOM 6950 H HA . PHE C 1 11 ? 23.371 1.961 -6.694 1.00 9.86 ? 11 PHE C HA 1 ATOM 6951 H HB2 . PHE C 1 11 ? 21.852 2.582 -4.353 1.00 9.52 ? 11 PHE C HB2 1 ATOM 6952 H HB3 . PHE C 1 11 ? 22.088 3.589 -5.560 1.00 9.52 ? 11 PHE C HB3 1 ATOM 6953 H HD1 . PHE C 1 11 ? 20.301 0.710 -4.659 1.00 8.44 ? 11 PHE C HD1 1 ATOM 6954 H HD2 . PHE C 1 11 ? 20.720 3.429 -7.532 1.00 11.20 ? 11 PHE C HD2 1 ATOM 6955 H HE1 . PHE C 1 11 ? 18.401 -0.084 -5.671 1.00 12.15 ? 11 PHE C HE1 1 ATOM 6956 H HE2 . PHE C 1 11 ? 18.799 2.616 -8.542 1.00 11.27 ? 11 PHE C HE2 1 ATOM 6957 H HZ . PHE C 1 11 ? 17.649 0.867 -7.610 1.00 10.81 ? 11 PHE C HZ 1 ATOM 6958 N N . PRO C 1 12 ? 25.647 2.248 -5.547 1.00 9.03 ? 12 PRO C N 1 ATOM 6959 C CA . PRO C 1 12 ? 26.861 2.248 -4.716 1.00 7.42 ? 12 PRO C CA 1 ATOM 6960 C C . PRO C 1 12 ? 27.399 3.605 -4.320 1.00 8.53 ? 12 PRO C C 1 ATOM 6961 O O . PRO C 1 12 ? 28.395 3.674 -3.591 1.00 10.17 ? 12 PRO C O 1 ATOM 6962 C CB . PRO C 1 12 ? 27.932 1.539 -5.608 1.00 9.31 ? 12 PRO C CB 1 ATOM 6963 C CG . PRO C 1 12 ? 27.129 0.962 -6.821 1.00 9.12 ? 12 PRO C CG 1 ATOM 6964 C CD . PRO C 1 12 ? 25.951 1.910 -6.947 1.00 9.17 ? 12 PRO C CD 1 ATOM 6965 H HA . PRO C 1 12 ? 26.715 1.714 -3.907 1.00 8.89 ? 12 PRO C HA 1 ATOM 6966 H HB2 . PRO C 1 12 ? 28.589 2.186 -5.908 1.00 11.17 ? 12 PRO C HB2 1 ATOM 6967 H HB3 . PRO C 1 12 ? 28.356 0.825 -5.106 1.00 11.17 ? 12 PRO C HB3 1 ATOM 6968 H HG2 . PRO C 1 12 ? 27.677 0.980 -7.621 1.00 10.93 ? 12 PRO C HG2 1 ATOM 6969 H HG3 . PRO C 1 12 ? 26.830 0.061 -6.622 1.00 10.93 ? 12 PRO C HG3 1 ATOM 6970 H HD2 . PRO C 1 12 ? 26.207 2.705 -7.440 1.00 11.00 ? 12 PRO C HD2 1 ATOM 6971 H HD3 . PRO C 1 12 ? 25.196 1.461 -7.359 1.00 11.00 ? 12 PRO C HD3 1 ATOM 6972 N N . ARG C 1 13 ? 26.759 4.675 -4.777 1.00 9.97 ? 13 ARG C N 1 ATOM 6973 C CA . ARG C 1 13 ? 27.224 6.021 -4.465 1.00 10.41 ? 13 ARG C CA 1 ATOM 6974 C C . ARG C 1 13 ? 26.045 6.980 -4.462 1.00 11.16 ? 13 ARG C C 1 ATOM 6975 O O . ARG C 1 13 ? 25.008 6.753 -5.092 1.00 11.88 ? 13 ARG C O 1 ATOM 6976 C CB . ARG C 1 13 ? 28.250 6.488 -5.501 1.00 11.27 ? 13 ARG C CB 1 ATOM 6977 C CG . ARG C 1 13 ? 27.575 6.702 -6.822 1.00 12.41 ? 13 ARG C CG 1 ATOM 6978 C CD . ARG C 1 13 ? 28.485 7.245 -7.937 1.00 15.90 ? 13 ARG C CD 1 ATOM 6979 N NE . ARG C 1 13 ? 27.710 7.346 -9.158 1.00 13.31 ? 13 ARG C NE 1 ATOM 6980 C CZ . ARG C 1 13 ? 28.211 7.716 -10.314 1.00 14.95 ? 13 ARG C CZ 1 ATOM 6981 N NH1 . ARG C 1 13 ? 29.495 8.072 -10.361 1.00 20.51 ? 13 ARG C NH1 1 ATOM 6982 N NH2 . ARG C 1 13 ? 27.438 7.765 -11.380 1.00 17.29 ? 13 ARG C NH2 1 ATOM 6983 H H . ARG C 1 13 ? 26.055 4.649 -5.269 1.00 11.95 ? 13 ARG C H 1 ATOM 6984 H HA . ARG C 1 13 ? 27.642 6.031 -3.579 1.00 12.48 ? 13 ARG C HA 1 ATOM 6985 H HB2 . ARG C 1 13 ? 28.644 7.327 -5.215 1.00 13.51 ? 13 ARG C HB2 1 ATOM 6986 H HB3 . ARG C 1 13 ? 28.935 5.809 -5.609 1.00 13.51 ? 13 ARG C HB3 1 ATOM 6987 H HG2 . ARG C 1 13 ? 27.215 5.854 -7.126 1.00 14.88 ? 13 ARG C HG2 1 ATOM 6988 H HG3 . ARG C 1 13 ? 26.852 7.337 -6.700 1.00 14.88 ? 13 ARG C HG3 1 ATOM 6989 H HD2 . ARG C 1 13 ? 28.809 8.127 -7.697 1.00 19.06 ? 13 ARG C HD2 1 ATOM 6990 H HD3 . ARG C 1 13 ? 29.224 6.634 -8.085 1.00 19.06 ? 13 ARG C HD3 1 ATOM 6991 H HE . ARG C 1 13 ? 26.749 7.227 -9.097 1.00 15.97 ? 13 ARG C HE 1 ATOM 6992 H HH11 . ARG C 1 13 ? 29.979 8.030 -9.652 1.00 24.60 ? 13 ARG C HH11 1 ATOM 6993 H HH12 . ARG C 1 13 ? 29.844 8.326 -11.105 1.00 24.60 ? 13 ARG C HH12 1 ATOM 6994 H HH21 . ARG C 1 13 ? 26.610 7.541 -11.321 1.00 20.74 ? 13 ARG C HH21 1 ATOM 6995 H HH22 . ARG C 1 13 ? 27.761 8.023 -12.134 1.00 20.74 ? 13 ARG C HH22 1 ATOM 6996 N N . GLU C 1 14 ? 26.244 8.105 -3.786 1.00 9.58 ? 14 GLU C N 1 ATOM 6997 C CA . GLU C 1 14 ? 25.330 9.243 -3.876 1.00 10.35 ? 14 GLU C CA 1 ATOM 6998 C C . GLU C 1 14 ? 25.466 9.919 -5.238 1.00 10.50 ? 14 GLU C C 1 ATOM 6999 O O . GLU C 1 14 ? 26.587 10.113 -5.760 1.00 12.06 ? 14 GLU C O 1 ATOM 7000 C CB . GLU C 1 14 ? 25.624 10.225 -2.733 1.00 12.02 ? 14 GLU C CB 1 ATOM 7001 C CG . GLU C 1 14 ? 24.671 11.388 -2.702 1.00 11.69 ? 14 GLU C CG 1 ATOM 7002 C CD . GLU C 1 14 ? 24.817 12.253 -1.466 1.00 16.33 ? 14 GLU C CD 1 ATOM 7003 O OE1 . GLU C 1 14 ? 24.385 11.825 -0.381 1.00 17.39 ? 14 GLU C OE1 1 ATOM 7004 O OE2 . GLU C 1 14 ? 25.376 13.355 -1.605 1.00 25.19 ? 14 GLU C OE2 1 ATOM 7005 H H . GLU C 1 14 ? 26.911 8.239 -3.260 1.00 11.49 ? 14 GLU C H 1 ATOM 7006 H HA . GLU C 1 14 ? 24.407 8.926 -3.781 1.00 12.41 ? 14 GLU C HA 1 ATOM 7007 H HB2 . GLU C 1 14 ? 25.551 9.756 -1.887 1.00 14.42 ? 14 GLU C HB2 1 ATOM 7008 H HB3 . GLU C 1 14 ? 26.522 10.577 -2.842 1.00 14.42 ? 14 GLU C HB3 1 ATOM 7009 H HG2 . GLU C 1 14 ? 24.833 11.947 -3.478 1.00 14.02 ? 14 GLU C HG2 1 ATOM 7010 H HG3 . GLU C 1 14 ? 23.762 11.049 -2.724 1.00 14.02 ? 14 GLU C HG3 1 ATOM 7011 N N . SER C 1 15 ? 24.324 10.266 -5.807 1.00 9.79 ? 15 SER C N 1 ATOM 7012 C CA . SER C 1 15 ? 24.289 10.889 -7.126 1.00 10.40 ? 15 SER C CA 1 ATOM 7013 C C . SER C 1 15 ? 22.936 11.505 -7.399 1.00 11.57 ? 15 SER C C 1 ATOM 7014 O O . SER C 1 15 ? 21.969 11.273 -6.668 1.00 10.08 ? 15 SER C O 1 ATOM 7015 C CB . SER C 1 15 ? 24.577 9.860 -8.227 1.00 10.90 ? 15 SER C CB 1 ATOM 7016 O OG . SER C 1 15 ? 23.399 9.140 -8.537 1.00 11.76 ? 15 SER C OG 1 ATOM 7017 H H . SER C 1 15 ? 23.549 10.153 -5.451 1.00 11.74 ? 15 SER C H 1 ATOM 7018 H HA . SER C 1 15 ? 24.968 11.594 -7.174 1.00 12.47 ? 15 SER C HA 1 ATOM 7019 H HB2 . SER C 1 15 ? 24.886 10.321 -9.022 1.00 13.07 ? 15 SER C HB2 1 ATOM 7020 H HB3 . SER C 1 15 ? 25.255 9.241 -7.915 1.00 13.07 ? 15 SER C HB3 1 ATOM 7021 H HG . SER C 1 15 ? 22.778 9.405 -8.071 1.00 14.10 ? 15 SER C HG 1 ATOM 7022 N N . VAL C 1 16 ? 22.838 12.258 -8.488 1.00 12.12 ? 16 VAL C N 1 ATOM 7023 C CA . VAL C 1 16 ? 21.544 12.690 -8.962 1.00 12.18 ? 16 VAL C CA 1 ATOM 7024 C C . VAL C 1 16 ? 21.132 11.918 -10.214 1.00 13.18 ? 16 VAL C C 1 ATOM 7025 O O . VAL C 1 16 ? 20.081 12.199 -10.808 1.00 16.88 ? 16 VAL C O 1 ATOM 7026 C CB . VAL C 1 16 ? 21.542 14.228 -9.187 1.00 15.41 ? 16 VAL C CB 1 ATOM 7027 C CG1 . VAL C 1 16 ? 22.368 14.600 -10.397 1.00 16.01 ? 16 VAL C CG1 1 ATOM 7028 C CG2 . VAL C 1 16 ? 20.125 14.788 -9.334 1.00 18.69 ? 16 VAL C CG2 1 ATOM 7029 H H . VAL C 1 16 ? 23.502 12.528 -8.963 1.00 14.53 ? 16 VAL C H 1 ATOM 7030 H HA . VAL C 1 16 ? 20.881 12.496 -8.268 1.00 14.61 ? 16 VAL C HA 1 ATOM 7031 H HB . VAL C 1 16 ? 21.950 14.658 -8.407 1.00 18.48 ? 16 VAL C HB 1 ATOM 7032 H HG11 . VAL C 1 16 ? 22.347 15.553 -10.509 1.00 19.20 ? 16 VAL C HG11 1 ATOM 7033 H HG12 . VAL C 1 16 ? 23.272 14.306 -10.260 1.00 19.20 ? 16 VAL C HG12 1 ATOM 7034 H HG13 . VAL C 1 16 ? 21.998 14.170 -11.172 1.00 19.20 ? 16 VAL C HG13 1 ATOM 7035 H HG21 . VAL C 1 16 ? 20.177 15.736 -9.470 1.00 22.42 ? 16 VAL C HG21 1 ATOM 7036 H HG22 . VAL C 1 16 ? 19.701 14.371 -10.087 1.00 22.42 ? 16 VAL C HG22 1 ATOM 7037 H HG23 . VAL C 1 16 ? 19.630 14.598 -8.533 1.00 22.42 ? 16 VAL C HG23 1 ATOM 7038 N N . THR C 1 17 ? 21.952 10.950 -10.621 1.00 12.40 ? 17 THR C N 1 ATOM 7039 C CA . THR C 1 17 ? 21.753 10.273 -11.893 1.00 13.10 ? 17 THR C CA 1 ATOM 7040 C C . THR C 1 17 ? 21.415 8.781 -11.815 1.00 13.28 ? 17 THR C C 1 ATOM 7041 O O . THR C 1 17 ? 20.742 8.241 -12.699 1.00 14.49 ? 17 THR C O 1 ATOM 7042 C CB . THR C 1 17 ? 23.036 10.357 -12.738 1.00 15.27 ? 17 THR C CB 1 ATOM 7043 O OG1 . THR C 1 17 ? 24.172 9.963 -11.951 1.00 20.80 ? 17 THR C OG1 1 ATOM 7044 C CG2 . THR C 1 17 ? 23.228 11.782 -13.225 1.00 27.61 ? 17 THR C CG2 1 ATOM 7045 H H . THR C 1 17 ? 22.631 10.669 -10.175 1.00 14.87 ? 17 THR C H 1 ATOM 7046 H HA . THR C 1 17 ? 21.034 10.721 -12.385 1.00 15.71 ? 17 THR C HA 1 ATOM 7047 H HB . THR C 1 17 ? 22.956 9.775 -13.509 1.00 18.31 ? 17 THR C HB 1 ATOM 7048 H HG1 . THR C 1 17 ? 24.077 9.192 -11.688 1.00 24.94 ? 17 THR C HG1 1 ATOM 7049 H HG21 . THR C 1 17 ? 24.027 11.843 -13.753 1.00 33.13 ? 17 THR C HG21 1 ATOM 7050 H HG22 . THR C 1 17 ? 22.478 12.049 -13.761 1.00 33.13 ? 17 THR C HG22 1 ATOM 7051 H HG23 . THR C 1 17 ? 23.303 12.377 -12.475 1.00 33.13 ? 17 THR C HG23 1 ATOM 7052 N N . ASP C 1 18 ? 21.897 8.104 -10.790 1.00 11.99 ? 18 ASP C N 1 ATOM 7053 C CA . ASP C 1 18 ? 21.833 6.637 -10.795 1.00 9.40 ? 18 ASP C CA 1 ATOM 7054 C C . ASP C 1 18 ? 20.444 6.188 -10.361 1.00 10.53 ? 18 ASP C C 1 ATOM 7055 O O . ASP C 1 18 ? 19.948 6.620 -9.321 1.00 10.71 ? 18 ASP C O 1 ATOM 7056 C CB . ASP C 1 18 ? 22.856 6.081 -9.794 1.00 9.74 ? 18 ASP C CB 1 ATOM 7057 C CG . ASP C 1 18 ? 24.285 6.525 -10.056 1.00 10.33 ? 18 ASP C CG 1 ATOM 7058 O OD1 . ASP C 1 18 ? 24.630 6.845 -11.227 1.00 12.23 ? 18 ASP C OD1 1 ATOM 7059 O OD2 . ASP C 1 18 ? 25.055 6.535 -9.064 1.00 11.67 ? 18 ASP C OD2 1 ATOM 7060 H H . ASP C 1 18 ? 22.259 8.450 -10.091 1.00 14.38 ? 18 ASP C H 1 ATOM 7061 H HA . ASP C 1 18 ? 22.026 6.287 -11.690 1.00 11.27 ? 18 ASP C HA 1 ATOM 7062 H HB2 . ASP C 1 18 ? 22.613 6.378 -8.904 1.00 11.67 ? 18 ASP C HB2 1 ATOM 7063 H HB3 . ASP C 1 18 ? 22.836 5.112 -9.834 1.00 11.67 ? 18 ASP C HB3 1 ATOM 7064 N N . HIS C 1 19 ? 19.791 5.361 -11.166 1.00 9.59 ? 19 HIS C N 1 ATOM 7065 C CA . HIS C 1 19 ? 18.458 4.879 -10.860 1.00 9.64 ? 19 HIS C CA 1 ATOM 7066 C C . HIS C 1 19 ? 18.062 3.646 -11.648 1.00 10.06 ? 19 HIS C C 1 ATOM 7067 O O . HIS C 1 19 ? 18.710 3.302 -12.637 1.00 10.84 ? 19 HIS C O 1 ATOM 7068 C CB . HIS C 1 19 ? 17.401 5.992 -11.064 1.00 9.24 ? 19 HIS C CB 1 ATOM 7069 C CG . HIS C 1 19 ? 17.208 6.442 -12.480 1.00 9.57 ? 19 HIS C CG 1 ATOM 7070 N ND1 . HIS C 1 19 ? 18.120 7.237 -13.143 1.00 13.48 ? 19 HIS C ND1 1 ATOM 7071 C CD2 . HIS C 1 19 ? 16.167 6.270 -13.329 1.00 12.26 ? 19 HIS C CD2 1 ATOM 7072 C CE1 . HIS C 1 19 ? 17.655 7.512 -14.359 1.00 13.60 ? 19 HIS C CE1 1 ATOM 7073 N NE2 . HIS C 1 19 ? 16.480 6.937 -14.493 1.00 13.34 ? 19 HIS C NE2 1 ATOM 7074 H H . HIS C 1 19 ? 20.107 5.062 -11.908 1.00 11.49 ? 19 HIS C H 1 ATOM 7075 H HA . HIS C 1 19 ? 18.437 4.632 -9.912 1.00 11.56 ? 19 HIS C HA 1 ATOM 7076 H HB2 . HIS C 1 19 ? 16.546 5.666 -10.742 1.00 11.08 ? 19 HIS C HB2 1 ATOM 7077 H HB3 . HIS C 1 19 ? 17.668 6.767 -10.545 1.00 11.08 ? 19 HIS C HB3 1 ATOM 7078 H HD1 . HIS C 1 19 ? 18.871 7.508 -12.824 1.00 16.16 ? 19 HIS C HD1 1 ATOM 7079 H HD2 . HIS C 1 19 ? 15.392 5.784 -13.162 1.00 14.70 ? 19 HIS C HD2 1 ATOM 7080 H HE1 . HIS C 1 19 ? 18.093 8.014 -15.008 1.00 16.30 ? 19 HIS C HE1 1 ATOM 7081 N N . VAL C 1 20 ? 16.988 3.003 -11.211 1.00 8.30 ? 20 VAL C N 1 ATOM 7082 C CA . VAL C 1 20 ? 16.367 1.917 -11.946 1.00 9.46 ? 20 VAL C CA 1 ATOM 7083 C C . VAL C 1 20 ? 14.922 2.276 -12.213 1.00 8.77 ? 20 VAL C C 1 ATOM 7084 O O . VAL C 1 20 ? 14.194 2.695 -11.296 1.00 9.78 ? 20 VAL C O 1 ATOM 7085 C CB . VAL C 1 20 ? 16.426 0.589 -11.169 1.00 9.16 ? 20 VAL C CB 1 ATOM 7086 C CG1 . VAL C 1 20 ? 15.742 -0.528 -11.968 1.00 12.42 ? 20 VAL C CG1 1 ATOM 7087 C CG2 . VAL C 1 20 ? 17.849 0.210 -10.821 1.00 10.53 ? 20 VAL C CG2 1 ATOM 7088 H H . VAL C 1 20 ? 16.592 3.184 -10.469 1.00 9.95 ? 20 VAL C H 1 ATOM 7089 H HA . VAL C 1 20 ? 16.823 1.798 -12.805 1.00 11.34 ? 20 VAL C HA 1 ATOM 7090 H HB . VAL C 1 20 ? 15.934 0.697 -10.329 1.00 10.99 ? 20 VAL C HB 1 ATOM 7091 H HG11 . VAL C 1 20 ? 15.790 -1.345 -11.466 1.00 14.89 ? 20 VAL C HG11 1 ATOM 7092 H HG12 . VAL C 1 20 ? 14.824 -0.288 -12.116 1.00 14.89 ? 20 VAL C HG12 1 ATOM 7093 H HG13 . VAL C 1 20 ? 16.194 -0.632 -12.808 1.00 14.89 ? 20 VAL C HG13 1 ATOM 7094 H HG21 . VAL C 1 20 ? 17.841 -0.621 -10.339 1.00 12.63 ? 20 VAL C HG21 1 ATOM 7095 H HG22 . VAL C 1 20 ? 18.354 0.113 -11.631 1.00 12.63 ? 20 VAL C HG22 1 ATOM 7096 H HG23 . VAL C 1 20 ? 18.232 0.901 -10.276 1.00 12.63 ? 20 VAL C HG23 1 ATOM 7097 N N . ASN C 1 21 ? 14.487 2.163 -13.472 1.00 9.85 ? 21 ASN C N 1 ATOM 7098 C CA . ASN C 1 21 ? 13.081 2.248 -13.817 1.00 8.25 ? 21 ASN C CA 1 ATOM 7099 C C . ASN C 1 21 ? 12.431 0.888 -13.792 1.00 8.85 ? 21 ASN C C 1 ATOM 7100 O O . ASN C 1 21 ? 13.004 -0.076 -14.323 1.00 10.51 ? 21 ASN C O 1 ATOM 7101 C CB . ASN C 1 21 ? 12.913 2.808 -15.249 1.00 11.46 ? 21 ASN C CB 1 ATOM 7102 C CG . ASN C 1 21 ? 13.554 4.159 -15.429 1.00 12.49 ? 21 ASN C CG 1 ATOM 7103 O OD1 . ASN C 1 21 ? 13.497 5.003 -14.537 1.00 13.86 ? 21 ASN C OD1 1 ATOM 7104 N ND2 . ASN C 1 21 ? 14.185 4.374 -16.589 1.00 13.85 ? 21 ASN C ND2 1 ATOM 7105 H H . ASN C 1 21 ? 15.002 2.035 -14.149 1.00 11.80 ? 21 ASN C H 1 ATOM 7106 H HA . ASN C 1 21 ? 12.616 2.836 -13.186 1.00 9.89 ? 21 ASN C HA 1 ATOM 7107 H HB2 . ASN C 1 21 ? 13.324 2.195 -15.879 1.00 13.74 ? 21 ASN C HB2 1 ATOM 7108 H HB3 . ASN C 1 21 ? 11.967 2.898 -15.444 1.00 13.74 ? 21 ASN C HB3 1 ATOM 7109 H HD21 . ASN C 1 21 ? 14.620 5.236 -16.758 1.00 16.60 ? 21 ASN C HD21 1 ATOM 7110 H HD22 . ASN C 1 21 ? 14.213 3.670 -17.270 1.00 16.60 ? 21 ASN C HD22 1 ATOM 7111 N N . LEU C 1 22 ? 11.309 0.770 -13.095 1.00 9.03 ? 22 LEU C N 1 ATOM 7112 C CA . LEU C 1 22 ? 10.548 -0.479 -13.032 1.00 10.08 ? 22 LEU C CA 1 ATOM 7113 C C . LEU C 1 22 ? 9.369 -0.338 -13.949 1.00 10.56 ? 22 LEU C C 1 ATOM 7114 O O . LEU C 1 22 ? 8.621 0.636 -13.891 1.00 12.37 ? 22 LEU C O 1 ATOM 7115 C CB . LEU C 1 22 ? 10.102 -0.820 -11.615 1.00 10.42 ? 22 LEU C CB 1 ATOM 7116 C CG . LEU C 1 22 ? 11.231 -0.891 -10.578 1.00 8.58 ? 22 LEU C CG 1 ATOM 7117 C CD1 . LEU C 1 22 ? 10.629 -1.213 -9.221 1.00 12.02 ? 22 LEU C CD1 1 ATOM 7118 C CD2 . LEU C 1 22 ? 12.284 -1.947 -10.960 1.00 10.35 ? 22 LEU C CD2 1 ATOM 7119 H H . LEU C 1 22 ? 10.958 1.410 -12.640 1.00 10.82 ? 22 LEU C H 1 ATOM 7120 H HA . LEU C 1 22 ? 11.106 -1.213 -13.362 1.00 12.08 ? 22 LEU C HA 1 ATOM 7121 H HB2 . LEU C 1 22 ? 9.474 -0.143 -11.318 1.00 12.49 ? 22 LEU C HB2 1 ATOM 7122 H HB3 . LEU C 1 22 ? 9.663 -1.685 -11.630 1.00 12.49 ? 22 LEU C HB3 1 ATOM 7123 H HG . LEU C 1 22 ? 11.670 -0.028 -10.520 1.00 10.29 ? 22 LEU C HG 1 ATOM 7124 H HD11 . LEU C 1 22 ? 11.333 -1.258 -8.570 1.00 14.41 ? 22 LEU C HD11 1 ATOM 7125 H HD12 . LEU C 1 22 ? 10.007 -0.522 -8.984 1.00 14.41 ? 22 LEU C HD12 1 ATOM 7126 H HD13 . LEU C 1 22 ? 10.177 -2.058 -9.273 1.00 14.41 ? 22 LEU C HD13 1 ATOM 7127 H HD21 . LEU C 1 22 ? 12.970 -1.960 -10.288 1.00 12.41 ? 22 LEU C HD21 1 ATOM 7128 H HD22 . LEU C 1 22 ? 11.859 -2.806 -11.012 1.00 12.41 ? 22 LEU C HD22 1 ATOM 7129 H HD23 . LEU C 1 22 ? 12.663 -1.716 -11.811 1.00 12.41 ? 22 LEU C HD23 1 ATOM 7130 N N . ILE C 1 23 ? 9.195 -1.315 -14.822 1.00 11.38 ? 23 ILE C N 1 ATOM 7131 C CA A ILE C 1 23 ? 8.163 -1.241 -15.835 0.46 11.75 ? 23 ILE C CA 1 ATOM 7132 C CA B ILE C 1 23 ? 8.176 -1.241 -15.848 0.54 11.78 ? 23 ILE C CA 1 ATOM 7133 C C . ILE C 1 23 ? 7.027 -2.210 -15.558 1.00 11.53 ? 23 ILE C C 1 ATOM 7134 O O . ILE C 1 23 ? 7.234 -3.402 -15.337 1.00 15.63 ? 23 ILE C O 1 ATOM 7135 C CB A ILE C 1 23 ? 8.750 -1.564 -17.211 0.46 13.16 ? 23 ILE C CB 1 ATOM 7136 C CB B ILE C 1 23 ? 8.787 -1.589 -17.226 0.54 12.49 ? 23 ILE C CB 1 ATOM 7137 C CG1 A ILE C 1 23 ? 9.829 -0.548 -17.576 0.46 18.88 ? 23 ILE C CG1 1 ATOM 7138 C CG1 B ILE C 1 23 ? 10.103 -0.837 -17.464 0.54 18.83 ? 23 ILE C CG1 1 ATOM 7139 C CG2 A ILE C 1 23 ? 7.630 -1.611 -18.264 0.46 19.49 ? 23 ILE C CG2 1 ATOM 7140 C CG2 B ILE C 1 23 ? 7.774 -1.322 -18.349 0.54 19.61 ? 23 ILE C CG2 1 ATOM 7141 C CD1 A ILE C 1 23 ? 10.681 -0.968 -18.738 0.46 20.32 ? 23 ILE C CD1 1 ATOM 7142 C CD1 B ILE C 1 23 ? 9.965 0.673 -17.499 0.54 21.24 ? 23 ILE C CD1 1 ATOM 7143 H H A ILE C 1 23 ? 9.664 -2.035 -14.848 0.46 13.64 ? 23 ILE C H 1 ATOM 7144 H H B ILE C 1 23 ? 9.659 -2.038 -14.840 0.54 13.64 ? 23 ILE C H 1 ATOM 7145 H HA A ILE C 1 23 ? 7.797 -0.332 -15.861 0.46 14.09 ? 23 ILE C HA 1 ATOM 7146 H HA B ILE C 1 23 ? 7.815 -0.331 -15.887 0.54 14.12 ? 23 ILE C HA 1 ATOM 7147 H HB A ILE C 1 23 ? 9.162 -2.441 -17.166 0.46 15.77 ? 23 ILE C HB 1 ATOM 7148 H HB B ILE C 1 23 ? 8.987 -2.538 -17.229 0.54 14.97 ? 23 ILE C HB 1 ATOM 7149 H HG12 A ILE C 1 23 ? 9.403 0.292 -17.808 0.46 22.64 ? 23 ILE C HG12 1 ATOM 7150 H HG12 B ILE C 1 23 ? 10.721 -1.060 -16.750 0.54 22.59 ? 23 ILE C HG12 1 ATOM 7151 H HG13 A ILE C 1 23 ? 10.412 -0.421 -16.811 0.46 22.64 ? 23 ILE C HG13 1 ATOM 7152 H HG13 B ILE C 1 23 ? 10.472 -1.119 -18.315 0.54 22.59 ? 23 ILE C HG13 1 ATOM 7153 H HG21 A ILE C 1 23 ? 8.015 -1.815 -19.120 0.46 23.38 ? 23 ILE C HG21 1 ATOM 7154 H HG21 B ILE C 1 23 ? 8.176 -1.545 -19.192 0.54 23.52 ? 23 ILE C HG21 1 ATOM 7155 H HG22 A ILE C 1 23 ? 6.999 -2.291 -18.019 0.46 23.38 ? 23 ILE C HG22 1 ATOM 7156 H HG22 B ILE C 1 23 ? 6.996 -1.866 -18.203 0.54 23.52 ? 23 ILE C HG22 1 ATOM 7157 H HG23 A ILE C 1 23 ? 7.196 -0.756 -18.296 0.46 23.38 ? 23 ILE C HG23 1 ATOM 7158 H HG23 B ILE C 1 23 ? 7.531 -0.393 -18.336 0.54 23.52 ? 23 ILE C HG23 1 ATOM 7159 H HD11 A ILE C 1 23 ? 11.333 -0.285 -18.910 0.46 24.37 ? 23 ILE C HD11 1 ATOM 7160 H HD11 B ILE C 1 23 ? 10.830 1.062 -17.651 0.54 25.48 ? 23 ILE C HD11 1 ATOM 7161 H HD12 A ILE C 1 23 ? 11.120 -1.793 -18.521 0.46 24.37 ? 23 ILE C HD12 1 ATOM 7162 H HD12 B ILE C 1 23 ? 9.367 0.916 -18.209 0.54 25.48 ? 23 ILE C HD12 1 ATOM 7163 H HD13 A ILE C 1 23 ? 10.120 -1.087 -19.509 0.46 24.37 ? 23 ILE C HD13 1 ATOM 7164 H HD13 B ILE C 1 23 ? 9.614 0.974 -16.658 0.54 25.48 ? 23 ILE C HD13 1 ATOM 7165 N N . THR C 1 24 ? 5.813 -1.690 -15.570 1.00 18.15 ? 24 THR C N 1 ATOM 7166 C CA . THR C 1 24 ? 4.636 -2.531 -15.371 1.00 20.45 ? 24 THR C CA 1 ATOM 7167 C C . THR C 1 24 ? 3.574 -1.942 -16.283 1.00 22.08 ? 24 THR C C 1 ATOM 7168 O O . THR C 1 24 ? 3.462 -0.710 -16.404 1.00 27.59 ? 24 THR C O 1 ATOM 7169 C CB . THR C 1 24 ? 4.182 -2.531 -13.902 1.00 25.02 ? 24 THR C CB 1 ATOM 7170 O OG1 . THR C 1 24 ? 3.055 -3.405 -13.717 1.00 24.86 ? 24 THR C OG1 1 ATOM 7171 C CG2 . THR C 1 24 ? 3.794 -1.132 -13.473 1.00 27.61 ? 24 THR C CG2 1 ATOM 7172 H H . THR C 1 24 ? 5.639 -0.856 -15.691 1.00 21.77 ? 24 THR C H 1 ATOM 7173 H HA . THR C 1 24 ? 4.826 -3.451 -15.650 1.00 24.53 ? 24 THR C HA 1 ATOM 7174 H HB . THR C 1 24 ? 4.914 -2.829 -13.341 1.00 30.01 ? 24 THR C HB 1 ATOM 7175 H HG1 . THR C 1 24 ? 2.821 -3.398 -12.932 1.00 29.82 ? 24 THR C HG1 1 ATOM 7176 H HG21 . THR C 1 24 ? 3.511 -1.137 -12.556 1.00 33.12 ? 24 THR C HG21 1 ATOM 7177 H HG22 . THR C 1 24 ? 4.545 -0.541 -13.565 1.00 33.12 ? 24 THR C HG22 1 ATOM 7178 H HG23 . THR C 1 24 ? 3.074 -0.810 -14.020 1.00 33.12 ? 24 THR C HG23 1 ATOM 7179 N N . PRO C 1 25 ? 2.792 -2.802 -16.921 1.00 28.14 ? 25 PRO C N 1 ATOM 7180 C CA . PRO C 1 25 ? 1.707 -2.374 -17.811 1.00 38.20 ? 25 PRO C CA 1 ATOM 7181 C C . PRO C 1 25 ? 0.443 -2.065 -17.015 1.00 43.39 ? 25 PRO C C 1 ATOM 7182 O O . PRO C 1 25 ? -0.562 -2.770 -17.148 1.00 50.79 ? 25 PRO C O 1 ATOM 7183 C CB . PRO C 1 25 ? 1.484 -3.617 -18.658 1.00 34.29 ? 25 PRO C CB 1 ATOM 7184 C CG . PRO C 1 25 ? 1.673 -4.735 -17.646 1.00 39.44 ? 25 PRO C CG 1 ATOM 7185 C CD . PRO C 1 25 ? 2.811 -4.269 -16.756 1.00 28.80 ? 25 PRO C CD 1 ATOM 7186 H HA . PRO C 1 25 ? 1.969 -1.612 -18.368 1.00 45.83 ? 25 PRO C HA 1 ATOM 7187 H HB2 . PRO C 1 25 ? 0.584 -3.619 -19.020 1.00 41.14 ? 25 PRO C HB2 1 ATOM 7188 H HB3 . PRO C 1 25 ? 2.148 -3.666 -19.364 1.00 41.14 ? 25 PRO C HB3 1 ATOM 7189 H HG2 . PRO C 1 25 ? 0.859 -4.851 -17.131 1.00 47.32 ? 25 PRO C HG2 1 ATOM 7190 H HG3 . PRO C 1 25 ? 1.910 -5.556 -18.106 1.00 47.32 ? 25 PRO C HG3 1 ATOM 7191 H HD2 . PRO C 1 25 ? 2.637 -4.508 -15.832 1.00 34.54 ? 25 PRO C HD2 1 ATOM 7192 H HD3 . PRO C 1 25 ? 3.654 -4.633 -17.066 1.00 34.54 ? 25 PRO C HD3 1 ATOM 7193 N N . LEU C 1 26 ? 0.492 -1.029 -16.187 1.00 25.03 ? 26 LEU C N 1 ATOM 7194 C CA . LEU C 1 26 ? -0.620 -0.723 -15.321 1.00 25.74 ? 26 LEU C CA 1 ATOM 7195 C C . LEU C 1 26 ? -1.461 0.385 -15.937 1.00 31.03 ? 26 LEU C C 1 ATOM 7196 O O . LEU C 1 26 ? -1.065 1.556 -15.941 1.00 29.90 ? 26 LEU C O 1 ATOM 7197 C CB . LEU C 1 26 ? -0.113 -0.309 -13.938 1.00 29.66 ? 26 LEU C CB 1 ATOM 7198 C CG . LEU C 1 26 ? -1.180 -0.309 -12.840 1.00 40.27 ? 26 LEU C CG 1 ATOM 7199 C CD1 . LEU C 1 26 ? -1.902 -1.662 -12.731 1.00 38.87 ? 26 LEU C CD1 1 ATOM 7200 C CD2 . LEU C 1 26 ? -0.532 0.062 -11.519 1.00 46.37 ? 26 LEU C CD2 1 ATOM 7201 H H . LEU C 1 26 ? 1.160 -0.492 -16.112 1.00 30.02 ? 26 LEU C H 1 ATOM 7202 H HA . LEU C 1 26 ? -1.183 -1.519 -15.219 1.00 30.88 ? 26 LEU C HA 1 ATOM 7203 H HB2 . LEU C 1 26 ? 0.586 -0.924 -13.668 1.00 35.57 ? 26 LEU C HB2 1 ATOM 7204 H HB3 . LEU C 1 26 ? 0.247 0.590 -13.997 1.00 35.57 ? 26 LEU C HB3 1 ATOM 7205 H HG . LEU C 1 26 ? -1.844 0.368 -13.047 1.00 48.31 ? 26 LEU C HG 1 ATOM 7206 H HD11 . LEU C 1 26 ? -2.558 -1.610 -12.032 1.00 46.64 ? 26 LEU C HD11 1 ATOM 7207 H HD12 . LEU C 1 26 ? -2.330 -1.855 -13.568 1.00 46.64 ? 26 LEU C HD12 1 ATOM 7208 H HD13 . LEU C 1 26 ? -1.258 -2.344 -12.527 1.00 46.64 ? 26 LEU C HD13 1 ATOM 7209 H HD21 . LEU C 1 26 ? -1.202 0.061 -10.832 1.00 55.63 ? 26 LEU C HD21 1 ATOM 7210 H HD22 . LEU C 1 26 ? 0.149 -0.583 -11.314 1.00 55.63 ? 26 LEU C HD22 1 ATOM 7211 H HD23 . LEU C 1 26 ? -0.143 0.936 -11.597 1.00 55.63 ? 26 LEU C HD23 1 ATOM 7212 N N . GLU C 1 27 ? -2.619 0.005 -16.466 1.00 23.84 ? 27 GLU C N 1 ATOM 7213 C CA . GLU C 1 27 ? -3.431 0.938 -17.224 1.00 29.56 ? 27 GLU C CA 1 ATOM 7214 C C . GLU C 1 27 ? -4.662 1.368 -16.455 1.00 23.96 ? 27 GLU C C 1 ATOM 7215 O O . GLU C 1 27 ? -5.311 2.357 -16.810 1.00 33.63 ? 27 GLU C O 1 ATOM 7216 C CB . GLU C 1 27 ? -3.841 0.292 -18.551 1.00 42.00 ? 27 GLU C CB 1 ATOM 7217 C CG . GLU C 1 27 ? -2.756 -0.596 -19.172 1.00 49.58 ? 27 GLU C CG 1 ATOM 7218 C CD . GLU C 1 27 ? -1.528 0.178 -19.649 1.00 58.42 ? 27 GLU C CD 1 ATOM 7219 O OE1 . GLU C 1 27 ? -1.664 1.376 -19.995 1.00 56.55 ? 27 GLU C OE1 1 ATOM 7220 O OE2 . GLU C 1 27 ? -0.425 -0.420 -19.685 1.00 56.59 ? 27 GLU C OE2 1 ATOM 7221 H H . GLU C 1 27 ? -2.952 -0.785 -16.399 1.00 28.60 ? 27 GLU C H 1 ATOM 7222 H HA . GLU C 1 27 ? -2.901 1.738 -17.424 1.00 35.46 ? 27 GLU C HA 1 ATOM 7223 H HB2 . GLU C 1 27 ? -4.624 -0.259 -18.400 1.00 50.39 ? 27 GLU C HB2 1 ATOM 7224 H HB3 . GLU C 1 27 ? -4.050 0.993 -19.187 1.00 50.39 ? 27 GLU C HB3 1 ATOM 7225 H HG2 . GLU C 1 27 ? -2.462 -1.241 -18.510 1.00 59.48 ? 27 GLU C HG2 1 ATOM 7226 H HG3 . GLU C 1 27 ? -3.131 -1.058 -19.938 1.00 59.48 ? 27 GLU C HG3 1 ATOM 7227 N N . LYS C 1 28 ? -4.970 0.642 -15.382 1.00 21.85 ? 28 LYS C N 1 ATOM 7228 C CA . LYS C 1 28 ? -6.162 0.906 -14.610 1.00 22.94 ? 28 LYS C CA 1 ATOM 7229 C C . LYS C 1 28 ? -5.753 1.512 -13.271 1.00 19.30 ? 28 LYS C C 1 ATOM 7230 O O . LYS C 1 28 ? -4.862 0.991 -12.615 1.00 21.07 ? 28 LYS C O 1 ATOM 7231 C CB . LYS C 1 28 ? -6.902 -0.410 -14.356 1.00 27.52 ? 28 LYS C CB 1 ATOM 7232 C CG . LYS C 1 28 ? -7.599 -0.987 -15.583 1.00 38.90 ? 28 LYS C CG 1 ATOM 7233 C CD . LYS C 1 28 ? -7.862 -2.493 -15.427 1.00 53.88 ? 28 LYS C CD 1 ATOM 7234 C CE . LYS C 1 28 ? -8.277 -2.881 -14.000 1.00 56.32 ? 28 LYS C CE 1 ATOM 7235 N NZ . LYS C 1 28 ? -9.493 -2.167 -13.503 1.00 68.94 ? 28 LYS C NZ 1 ATOM 7236 H H . LYS C 1 28 ? -4.496 -0.011 -15.084 1.00 26.21 ? 28 LYS C H 1 ATOM 7237 H HA . LYS C 1 28 ? -6.751 1.528 -15.087 1.00 27.51 ? 28 LYS C HA 1 ATOM 7238 H HB2 . LYS C 1 28 ? -6.264 -1.069 -14.042 1.00 33.01 ? 28 LYS C HB2 1 ATOM 7239 H HB3 . LYS C 1 28 ? -7.578 -0.260 -13.676 1.00 33.01 ? 28 LYS C HB3 1 ATOM 7240 H HG2 . LYS C 1 28 ? -8.451 -0.541 -15.706 1.00 46.67 ? 28 LYS C HG2 1 ATOM 7241 H HG3 . LYS C 1 28 ? -7.035 -0.856 -16.361 1.00 46.67 ? 28 LYS C HG3 1 ATOM 7242 H HD2 . LYS C 1 28 ? -8.578 -2.751 -16.028 1.00 64.65 ? 28 LYS C HD2 1 ATOM 7243 H HD3 . LYS C 1 28 ? -7.053 -2.979 -15.647 1.00 64.65 ? 28 LYS C HD3 1 ATOM 7244 H HE2 . LYS C 1 28 ? -8.463 -3.833 -13.978 1.00 67.58 ? 28 LYS C HE2 1 ATOM 7245 H HE3 . LYS C 1 28 ? -7.546 -2.675 -13.396 1.00 67.58 ? 28 LYS C HE3 1 ATOM 7246 H HZ1 . LYS C 1 28 ? -9.339 -1.219 -13.500 1.00 82.71 ? 28 LYS C HZ1 1 ATOM 7247 H HZ2 . LYS C 1 28 ? -10.242 -2.359 -14.072 1.00 82.71 ? 28 LYS C HZ2 1 ATOM 7248 H HZ3 . LYS C 1 28 ? -9.699 -2.453 -12.610 1.00 82.71 ? 28 LYS C HZ3 1 ATOM 7249 N N . PRO C 1 29 ? -6.412 2.598 -12.868 1.00 19.30 ? 29 PRO C N 1 ATOM 7250 C CA . PRO C 1 29 ? -6.074 3.211 -11.575 1.00 15.82 ? 29 PRO C CA 1 ATOM 7251 C C . PRO C 1 29 ? -6.187 2.187 -10.456 1.00 17.65 ? 29 PRO C C 1 ATOM 7252 O O . PRO C 1 29 ? -7.051 1.288 -10.507 1.00 19.37 ? 29 PRO C O 1 ATOM 7253 C CB . PRO C 1 29 ? -7.134 4.289 -11.414 1.00 17.87 ? 29 PRO C CB 1 ATOM 7254 C CG . PRO C 1 29 ? -7.517 4.651 -12.835 1.00 25.66 ? 29 PRO C CG 1 ATOM 7255 C CD . PRO C 1 29 ? -7.498 3.321 -13.543 1.00 22.63 ? 29 PRO C CD 1 ATOM 7256 H HA . PRO C 1 29 ? -5.179 3.609 -11.589 1.00 18.97 ? 29 PRO C HA 1 ATOM 7257 H HB2 . PRO C 1 29 ? -7.895 3.932 -10.931 1.00 21.44 ? 29 PRO C HB2 1 ATOM 7258 H HB3 . PRO C 1 29 ? -6.757 5.054 -10.952 1.00 21.44 ? 29 PRO C HB3 1 ATOM 7259 H HG2 . PRO C 1 29 ? -8.405 5.042 -12.850 1.00 30.78 ? 29 PRO C HG2 1 ATOM 7260 H HG3 . PRO C 1 29 ? -6.861 5.257 -13.213 1.00 30.78 ? 29 PRO C HG3 1 ATOM 7261 H HD2 . PRO C 1 29 ? -8.342 2.858 -13.419 1.00 27.15 ? 29 PRO C HD2 1 ATOM 7262 H HD3 . PRO C 1 29 ? -7.292 3.440 -14.484 1.00 27.15 ? 29 PRO C HD3 1 ATOM 7263 N N . LEU C 1 30 ? -5.317 2.322 -9.457 1.00 13.28 ? 30 LEU C N 1 ATOM 7264 C CA . LEU C 1 30 ? -5.226 1.380 -8.341 1.00 14.00 ? 30 LEU C CA 1 ATOM 7265 C C . LEU C 1 30 ? -6.106 1.812 -7.189 1.00 11.63 ? 30 LEU C C 1 ATOM 7266 O O . LEU C 1 30 ? -5.984 2.950 -6.697 1.00 14.34 ? 30 LEU C O 1 ATOM 7267 C CB . LEU C 1 30 ? -3.807 1.353 -7.776 1.00 22.43 ? 30 LEU C CB 1 ATOM 7268 C CG . LEU C 1 30 ? -2.748 0.501 -8.425 1.00 31.28 ? 30 LEU C CG 1 ATOM 7269 C CD1 . LEU C 1 30 ? -1.391 0.815 -7.771 1.00 20.36 ? 30 LEU C CD1 1 ATOM 7270 C CD2 . LEU C 1 30 ? -3.155 -0.961 -8.250 1.00 25.22 ? 30 LEU C CD2 1 ATOM 7271 H H . LEU C 1 30 ? -4.754 2.970 -9.402 1.00 15.92 ? 30 LEU C H 1 ATOM 7272 H HA . LEU C 1 30 ? -5.481 0.478 -8.628 1.00 16.79 ? 30 LEU C HA 1 ATOM 7273 H HB2 . LEU C 1 30 ? -3.472 2.264 -7.790 1.00 26.91 ? 30 LEU C HB2 1 ATOM 7274 H HB3 . LEU C 1 30 ? -3.867 1.059 -6.853 1.00 26.91 ? 30 LEU C HB3 1 ATOM 7275 H HG . LEU C 1 30 ? -2.696 0.702 -9.373 1.00 37.52 ? 30 LEU C HG 1 ATOM 7276 H HD11 . LEU C 1 30 ? -0.713 0.273 -8.183 1.00 24.42 ? 30 LEU C HD11 1 ATOM 7277 H HD12 . LEU C 1 30 ? -1.190 1.745 -7.900 1.00 24.42 ? 30 LEU C HD12 1 ATOM 7278 H HD13 . LEU C 1 30 ? -1.443 0.618 -6.833 1.00 24.42 ? 30 LEU C HD13 1 ATOM 7279 H HD21 . LEU C 1 30 ? -2.491 -1.521 -8.659 1.00 30.25 ? 30 LEU C HD21 1 ATOM 7280 H HD22 . LEU C 1 30 ? -3.218 -1.158 -7.313 1.00 30.25 ? 30 LEU C HD22 1 ATOM 7281 H HD23 . LEU C 1 30 ? -4.006 -1.101 -8.672 1.00 30.25 ? 30 LEU C HD23 1 ATOM 7282 N N . GLN C 1 31 ? -6.941 0.895 -6.729 1.00 12.51 ? 31 GLN C N 1 ATOM 7283 C CA . GLN C 1 31 ? -7.790 1.116 -5.567 1.00 12.59 ? 31 GLN C CA 1 ATOM 7284 C C . GLN C 1 31 ? -7.121 0.516 -4.316 1.00 12.60 ? 31 GLN C C 1 ATOM 7285 O O . GLN C 1 31 ? -7.273 1.065 -3.243 1.00 13.70 ? 31 GLN C O 1 ATOM 7286 C CB . GLN C 1 31 ? -9.140 0.453 -5.766 1.00 18.02 ? 31 GLN C CB 1 ATOM 7287 C CG . GLN C 1 31 ? -9.930 1.066 -6.900 1.00 32.14 ? 31 GLN C CG 1 ATOM 7288 C CD . GLN C 1 31 ? -11.190 0.282 -7.188 1.00 42.44 ? 31 GLN C CD 1 ATOM 7289 O OE1 . GLN C 1 31 ? -11.789 -0.329 -6.287 1.00 33.59 ? 31 GLN C OE1 1 ATOM 7290 N NE2 . GLN C 1 31 ? -11.593 0.274 -8.456 1.00 45.30 ? 31 GLN C NE2 1 ATOM 7291 H H . GLN C 1 31 ? -7.037 0.116 -7.081 1.00 15.00 ? 31 GLN C H 1 ATOM 7292 H HA . GLN C 1 31 ? -7.924 2.077 -5.428 1.00 15.10 ? 31 GLN C HA 1 ATOM 7293 H HB2 . GLN C 1 31 ? -9.004 -0.486 -5.968 1.00 21.61 ? 31 GLN C HB2 1 ATOM 7294 H HB3 . GLN C 1 31 ? -9.661 0.546 -4.953 1.00 21.61 ? 31 GLN C HB3 1 ATOM 7295 H HG2 . GLN C 1 31 ? -10.184 1.971 -6.660 1.00 38.56 ? 31 GLN C HG2 1 ATOM 7296 H HG3 . GLN C 1 31 ? -9.386 1.072 -7.702 1.00 38.56 ? 31 GLN C HG3 1 ATOM 7297 H HE21 . GLN C 1 31 ? -12.304 -0.156 -8.678 1.00 54.34 ? 31 GLN C HE21 1 ATOM 7298 H HE22 . GLN C 1 31 ? -11.143 0.699 -9.052 1.00 54.34 ? 31 GLN C HE22 1 ATOM 7299 N N . ASN C 1 32 ? -6.429 -0.606 -4.475 1.00 10.44 ? 32 ASN C N 1 ATOM 7300 C CA . ASN C 1 32 ? -5.788 -1.353 -3.376 1.00 9.60 ? 32 ASN C CA 1 ATOM 7301 C C . ASN C 1 32 ? -4.418 -1.775 -3.838 1.00 9.89 ? 32 ASN C C 1 ATOM 7302 O O . ASN C 1 32 ? -4.238 -2.126 -5.004 1.00 11.29 ? 32 ASN C O 1 ATOM 7303 C CB . ASN C 1 32 ? -6.542 -2.638 -3.063 1.00 11.23 ? 32 ASN C CB 1 ATOM 7304 C CG . ASN C 1 32 ? -8.045 -2.414 -2.833 1.00 12.63 ? 32 ASN C CG 1 ATOM 7305 O OD1 . ASN C 1 32 ? -8.444 -1.500 -2.092 1.00 13.87 ? 32 ASN C OD1 1 ATOM 7306 N ND2 . ASN C 1 32 ? -8.857 -3.298 -3.417 1.00 16.38 ? 32 ASN C ND2 1 ATOM 7307 H H . ASN C 1 32 ? -6.309 -0.977 -5.242 1.00 12.52 ? 32 ASN C H 1 ATOM 7308 H HA . ASN C 1 32 ? -5.715 -0.801 -2.570 1.00 11.50 ? 32 ASN C HA 1 ATOM 7309 H HB2 . ASN C 1 32 ? -6.442 -3.251 -3.808 1.00 13.46 ? 32 ASN C HB2 1 ATOM 7310 H HB3 . ASN C 1 32 ? -6.172 -3.032 -2.258 1.00 13.46 ? 32 ASN C HB3 1 ATOM 7311 N N . PHE C 1 33 ? -3.426 -1.755 -2.954 1.00 8.44 ? 33 PHE C N 1 ATOM 7312 C CA . PHE C 1 33 ? -2.148 -2.335 -3.294 1.00 8.09 ? 33 PHE C CA 1 ATOM 7313 C C . PHE C 1 33 ? -1.377 -2.716 -2.045 1.00 7.33 ? 33 PHE C C 1 ATOM 7314 O O . PHE C 1 33 ? -1.659 -2.238 -0.956 1.00 8.12 ? 33 PHE C O 1 ATOM 7315 C CB . PHE C 1 33 ? -1.275 -1.387 -4.171 1.00 8.16 ? 33 PHE C CB 1 ATOM 7316 C CG . PHE C 1 33 ? -0.710 -0.216 -3.410 1.00 7.95 ? 33 PHE C CG 1 ATOM 7317 C CD1 . PHE C 1 33 ? 0.473 -0.337 -2.726 1.00 8.07 ? 33 PHE C CD1 1 ATOM 7318 C CD2 . PHE C 1 33 ? -1.381 1.001 -3.408 1.00 9.51 ? 33 PHE C CD2 1 ATOM 7319 C CE1 . PHE C 1 33 ? 0.970 0.737 -1.980 1.00 9.45 ? 33 PHE C CE1 1 ATOM 7320 C CE2 . PHE C 1 33 ? -0.876 2.070 -2.672 1.00 9.41 ? 33 PHE C CE2 1 ATOM 7321 C CZ . PHE C 1 33 ? 0.290 1.931 -1.963 1.00 8.01 ? 33 PHE C CZ 1 ATOM 7322 H H . PHE C 1 33 ? -3.471 -1.416 -2.166 1.00 10.12 ? 33 PHE C H 1 ATOM 7323 H HA . PHE C 1 33 ? -2.304 -3.155 -3.808 1.00 9.70 ? 33 PHE C HA 1 ATOM 7324 H HB2 . PHE C 1 33 ? -0.532 -1.893 -4.535 1.00 9.78 ? 33 PHE C HB2 1 ATOM 7325 H HB3 . PHE C 1 33 ? -1.821 -1.038 -4.893 1.00 9.78 ? 33 PHE C HB3 1 ATOM 7326 H HD1 . PHE C 1 33 ? 0.918 -1.153 -2.714 1.00 9.68 ? 33 PHE C HD1 1 ATOM 7327 H HD2 . PHE C 1 33 ? -2.185 1.091 -3.866 1.00 11.40 ? 33 PHE C HD2 1 ATOM 7328 H HE1 . PHE C 1 33 ? 1.769 0.649 -1.511 1.00 11.32 ? 33 PHE C HE1 1 ATOM 7329 H HE2 . PHE C 1 33 ? -1.329 2.882 -2.663 1.00 11.28 ? 33 PHE C HE2 1 ATOM 7330 H HZ . PHE C 1 33 ? 0.637 2.656 -1.495 1.00 9.60 ? 33 PHE C HZ 1 ATOM 7331 N N . THR C 1 34 ? -0.404 -3.613 -2.219 1.00 7.48 ? 34 THR C N 1 ATOM 7332 C CA . THR C 1 34 ? 0.636 -3.884 -1.239 1.00 6.35 ? 34 THR C CA 1 ATOM 7333 C C . THR C 1 34 ? 1.964 -3.905 -1.990 1.00 7.60 ? 34 THR C C 1 ATOM 7334 O O . THR C 1 34 ? 2.074 -4.447 -3.080 1.00 8.31 ? 34 THR C O 1 ATOM 7335 C CB . THR C 1 34 ? 0.462 -5.258 -0.570 1.00 7.63 ? 34 THR C CB 1 ATOM 7336 O OG1 . THR C 1 34 ? -0.849 -5.357 -0.016 1.00 8.14 ? 34 THR C OG1 1 ATOM 7337 C CG2 . THR C 1 34 ? 1.470 -5.447 0.528 1.00 8.36 ? 34 THR C CG2 1 ATOM 7338 H H . THR C 1 34 ? -0.329 -4.094 -2.928 1.00 8.96 ? 34 THR C H 1 ATOM 7339 H HA . THR C 1 34 ? 0.657 -3.183 -0.554 1.00 7.61 ? 34 THR C HA 1 ATOM 7340 H HB . THR C 1 34 ? 0.589 -5.958 -1.229 1.00 9.14 ? 34 THR C HB 1 ATOM 7341 H HG1 . THR C 1 34 ? -1.411 -5.272 -0.607 1.00 9.76 ? 34 THR C HG1 1 ATOM 7342 H HG21 . THR C 1 34 ? 1.351 -6.307 0.938 1.00 10.02 ? 34 THR C HG21 1 ATOM 7343 H HG22 . THR C 1 34 ? 2.359 -5.391 0.170 1.00 10.02 ? 34 THR C HG22 1 ATOM 7344 H HG23 . THR C 1 34 ? 1.359 -4.765 1.195 1.00 10.02 ? 34 THR C HG23 1 ATOM 7345 N N . LEU C 1 35 ? 2.979 -3.312 -1.384 1.00 6.95 ? 35 LEU C N 1 ATOM 7346 C CA . LEU C 1 35 ? 4.332 -3.276 -1.891 1.00 6.41 ? 35 LEU C CA 1 ATOM 7347 C C . LEU C 1 35 ? 5.277 -3.780 -0.803 1.00 6.49 ? 35 LEU C C 1 ATOM 7348 O O . LEU C 1 35 ? 5.208 -3.275 0.318 1.00 7.66 ? 35 LEU C O 1 ATOM 7349 C CB . LEU C 1 35 ? 4.705 -1.839 -2.256 1.00 8.32 ? 35 LEU C CB 1 ATOM 7350 C CG . LEU C 1 35 ? 6.171 -1.586 -2.551 1.00 9.10 ? 35 LEU C CG 1 ATOM 7351 C CD1 . LEU C 1 35 ? 6.603 -2.261 -3.846 1.00 10.41 ? 35 LEU C CD1 1 ATOM 7352 C CD2 . LEU C 1 35 ? 6.372 -0.081 -2.658 1.00 10.70 ? 35 LEU C CD2 1 ATOM 7353 H H . LEU C 1 35 ? 2.898 -2.900 -0.633 1.00 8.32 ? 35 LEU C H 1 ATOM 7354 H HA . LEU C 1 35 ? 4.415 -3.846 -2.684 1.00 7.68 ? 35 LEU C HA 1 ATOM 7355 H HB2 . LEU C 1 35 ? 4.204 -1.586 -3.047 1.00 9.97 ? 35 LEU C HB2 1 ATOM 7356 H HB3 . LEU C 1 35 ? 4.455 -1.262 -1.518 1.00 9.97 ? 35 LEU C HB3 1 ATOM 7357 H HG . LEU C 1 35 ? 6.716 -1.924 -1.823 1.00 10.91 ? 35 LEU C HG 1 ATOM 7358 H HD11 . LEU C 1 35 ? 7.533 -2.078 -3.997 1.00 12.48 ? 35 LEU C HD11 1 ATOM 7359 H HD12 . LEU C 1 35 ? 6.463 -3.207 -3.766 1.00 12.48 ? 35 LEU C HD12 1 ATOM 7360 H HD13 . LEU C 1 35 ? 6.078 -1.912 -4.570 1.00 12.48 ? 35 LEU C HD13 1 ATOM 7361 H HD21 . LEU C 1 35 ? 7.297 0.097 -2.844 1.00 12.82 ? 35 LEU C HD21 1 ATOM 7362 H HD22 . LEU C 1 35 ? 5.823 0.257 -3.368 1.00 12.82 ? 35 LEU C HD22 1 ATOM 7363 H HD23 . LEU C 1 35 ? 6.121 0.327 -1.826 1.00 12.82 ? 35 LEU C HD23 1 ATOM 7364 N N . CYS C 1 36 ? 6.108 -4.756 -1.100 1.00 7.09 ? 36 CYS C N 1 ATOM 7365 C CA . CYS C 1 36 ? 7.086 -5.270 -0.138 1.00 9.65 ? 36 CYS C CA 1 ATOM 7366 C C . CYS C 1 36 ? 8.453 -5.257 -0.811 1.00 8.45 ? 36 CYS C C 1 ATOM 7367 O O . CYS C 1 36 ? 8.586 -5.465 -2.028 1.00 8.03 ? 36 CYS C O 1 ATOM 7368 C CB . CYS C 1 36 ? 6.808 -6.721 0.296 1.00 14.83 ? 36 CYS C CB 1 ATOM 7369 S SG . CYS C 1 36 ? 5.235 -7.103 1.143 1.00 14.62 ? 36 CYS C SG 1 ATOM 7370 H H . CYS C 1 36 ? 6.133 -5.151 -1.864 1.00 8.49 ? 36 CYS C H 1 ATOM 7371 H HA . CYS C 1 36 ? 7.113 -4.696 0.656 1.00 11.57 ? 36 CYS C HA 1 ATOM 7372 H HB2 . CYS C 1 36 ? 6.839 -7.277 -0.499 1.00 17.79 ? 36 CYS C HB2 1 ATOM 7373 H HB3 . CYS C 1 36 ? 7.521 -6.991 0.896 1.00 17.79 ? 36 CYS C HB3 1 ATOM 7374 N N . PHE C 1 37 ? 9.492 -5.020 -0.032 1.00 5.96 ? 37 PHE C N 1 ATOM 7375 C CA . PHE C 1 37 ? 10.883 -5.101 -0.509 1.00 7.10 ? 37 PHE C CA 1 ATOM 7376 C C . PHE C 1 37 ? 11.830 -5.126 0.679 1.00 6.06 ? 37 PHE C C 1 ATOM 7377 O O . PHE C 1 37 ? 11.414 -4.834 1.821 1.00 7.56 ? 37 PHE C O 1 ATOM 7378 C CB . PHE C 1 37 ? 11.250 -3.949 -1.458 1.00 6.41 ? 37 PHE C CB 1 ATOM 7379 C CG . PHE C 1 37 ? 10.988 -2.588 -0.882 1.00 6.26 ? 37 PHE C CG 1 ATOM 7380 C CD1 . PHE C 1 37 ? 9.748 -2.047 -0.973 1.00 9.93 ? 37 PHE C CD1 1 ATOM 7381 C CD2 . PHE C 1 37 ? 11.982 -1.913 -0.208 1.00 9.25 ? 37 PHE C CD2 1 ATOM 7382 C CE1 . PHE C 1 37 ? 9.475 -0.794 -0.401 1.00 11.30 ? 37 PHE C CE1 1 ATOM 7383 C CE2 . PHE C 1 37 ? 11.730 -0.682 0.349 1.00 10.14 ? 37 PHE C CE2 1 ATOM 7384 C CZ . PHE C 1 37 ? 10.499 -0.126 0.247 1.00 10.44 ? 37 PHE C CZ 1 ATOM 7385 H H . PHE C 1 37 ? 9.427 -4.804 0.798 1.00 7.14 ? 37 PHE C H 1 ATOM 7386 H HA . PHE C 1 37 ? 10.998 -5.941 -1.000 1.00 8.50 ? 37 PHE C HA 1 ATOM 7387 H HB2 . PHE C 1 37 ? 12.195 -4.006 -1.669 1.00 7.67 ? 37 PHE C HB2 1 ATOM 7388 H HB3 . PHE C 1 37 ? 10.725 -4.033 -2.270 1.00 7.67 ? 37 PHE C HB3 1 ATOM 7389 H HD1 . PHE C 1 37 ? 9.072 -2.511 -1.412 1.00 11.90 ? 37 PHE C HD1 1 ATOM 7390 H HD2 . PHE C 1 37 ? 12.830 -2.288 -0.137 1.00 11.09 ? 37 PHE C HD2 1 ATOM 7391 H HE1 . PHE C 1 37 ? 8.630 -0.411 -0.476 1.00 13.55 ? 37 PHE C HE1 1 ATOM 7392 H HE2 . PHE C 1 37 ? 12.410 -0.224 0.788 1.00 12.16 ? 37 PHE C HE2 1 ATOM 7393 H HZ . PHE C 1 37 ? 10.338 0.709 0.624 1.00 12.51 ? 37 PHE C HZ 1 ATOM 7394 N N . ARG C 1 38 ? 13.079 -5.495 0.446 1.00 7.14 ? 38 ARG C N 1 ATOM 7395 C CA . ARG C 1 38 ? 14.129 -5.456 1.450 1.00 6.85 ? 38 ARG C CA 1 ATOM 7396 C C . ARG C 1 38 ? 15.094 -4.362 1.078 1.00 8.74 ? 38 ARG C C 1 ATOM 7397 O O . ARG C 1 38 ? 15.416 -4.164 -0.091 1.00 8.69 ? 38 ARG C O 1 ATOM 7398 C CB . ARG C 1 38 ? 14.938 -6.754 1.488 1.00 13.49 ? 38 ARG C CB 1 ATOM 7399 C CG . ARG C 1 38 ? 14.409 -7.779 2.297 1.00 25.31 ? 38 ARG C CG 1 ATOM 7400 C CD . ARG C 1 38 ? 15.246 -9.039 2.102 1.00 16.23 ? 38 ARG C CD 1 ATOM 7401 N NE . ARG C 1 38 ? 14.295 -10.093 1.922 1.00 14.42 ? 38 ARG C NE 1 ATOM 7402 C CZ . ARG C 1 38 ? 13.602 -10.617 2.910 1.00 13.93 ? 38 ARG C CZ 1 ATOM 7403 N NH1 . ARG C 1 38 ? 13.796 -10.216 4.171 1.00 14.79 ? 38 ARG C NH1 1 ATOM 7404 N NH2 . ARG C 1 38 ? 12.715 -11.548 2.634 1.00 18.05 ? 38 ARG C NH2 1 ATOM 7405 H H . ARG C 1 38 ? 13.353 -5.783 -0.317 1.00 8.56 ? 38 ARG C H 1 ATOM 7406 H HA . ARG C 1 38 ? 13.753 -5.276 2.337 1.00 8.21 ? 38 ARG C HA 1 ATOM 7407 H HB2 . ARG C 1 38 ? 15.003 -7.101 0.584 1.00 16.17 ? 38 ARG C HB2 1 ATOM 7408 H HB3 . ARG C 1 38 ? 15.827 -6.551 1.820 1.00 16.17 ? 38 ARG C HB3 1 ATOM 7409 H HG2 . ARG C 1 38 ? 14.451 -7.516 3.229 1.00 30.36 ? 38 ARG C HG2 1 ATOM 7410 H HG3 . ARG C 1 38 ? 13.495 -7.967 2.032 1.00 30.36 ? 38 ARG C HG3 1 ATOM 7411 H HD2 . ARG C 1 38 ? 15.798 -8.961 1.308 1.00 19.47 ? 38 ARG C HD2 1 ATOM 7412 H HD3 . ARG C 1 38 ? 15.781 -9.217 2.892 1.00 19.47 ? 38 ARG C HD3 1 ATOM 7413 H HE . ARG C 1 38 ? 14.036 -10.321 1.015 1.00 17.29 ? 38 ARG C HE 1 ATOM 7414 H HH11 . ARG C 1 38 ? 14.368 -9.597 4.342 1.00 17.73 ? 38 ARG C HH11 1 ATOM 7415 H HH12 . ARG C 1 38 ? 13.343 -10.570 4.810 1.00 17.73 ? 38 ARG C HH12 1 ATOM 7416 H HH21 . ARG C 1 38 ? 12.605 -11.810 1.823 1.00 21.65 ? 38 ARG C HH21 1 ATOM 7417 H HH22 . ARG C 1 38 ? 12.269 -11.918 3.270 1.00 21.65 ? 38 ARG C HH22 1 ATOM 7418 N N . ALA C 1 39 ? 15.600 -3.650 2.072 1.00 6.18 ? 39 ALA C N 1 ATOM 7419 C CA . ALA C 1 39 ? 16.581 -2.581 1.810 1.00 5.46 ? 39 ALA C CA 1 ATOM 7420 C C . ALA C 1 39 ? 17.676 -2.577 2.872 1.00 7.05 ? 39 ALA C C 1 ATOM 7421 O O . ALA C 1 39 ? 17.467 -2.960 4.027 1.00 7.89 ? 39 ALA C O 1 ATOM 7422 C CB . ALA C 1 39 ? 15.892 -1.244 1.771 1.00 8.49 ? 39 ALA C CB 1 ATOM 7423 H H . ALA C 1 39 ? 15.401 -3.756 2.902 1.00 7.41 ? 39 ALA C H 1 ATOM 7424 H HA . ALA C 1 39 ? 17.001 -2.735 0.938 1.00 6.54 ? 39 ALA C HA 1 ATOM 7425 H HB1 . ALA C 1 39 ? 16.545 -0.561 1.599 1.00 10.18 ? 39 ALA C HB1 1 ATOM 7426 H HB2 . ALA C 1 39 ? 15.235 -1.252 1.071 1.00 10.18 ? 39 ALA C HB2 1 ATOM 7427 H HB3 . ALA C 1 39 ? 15.468 -1.087 2.618 1.00 10.18 ? 39 ALA C HB3 1 ATOM 7428 N N . TYR C 1 40 ? 18.857 -2.128 2.492 1.00 6.54 ? 40 TYR C N 1 ATOM 7429 C CA . TYR C 1 40 ? 19.993 -2.036 3.402 1.00 6.52 ? 40 TYR C CA 1 ATOM 7430 C C . TYR C 1 40 ? 20.793 -0.812 3.019 1.00 5.69 ? 40 TYR C C 1 ATOM 7431 O O . TYR C 1 40 ? 21.355 -0.719 1.909 1.00 7.60 ? 40 TYR C O 1 ATOM 7432 C CB . TYR C 1 40 ? 20.830 -3.308 3.310 1.00 6.90 ? 40 TYR C CB 1 ATOM 7433 C CG . TYR C 1 40 ? 21.949 -3.499 4.303 1.00 6.98 ? 40 TYR C CG 1 ATOM 7434 C CD1 . TYR C 1 40 ? 21.952 -2.869 5.544 1.00 7.81 ? 40 TYR C CD1 1 ATOM 7435 C CD2 . TYR C 1 40 ? 22.988 -4.365 4.002 1.00 6.24 ? 40 TYR C CD2 1 ATOM 7436 C CE1 . TYR C 1 40 ? 22.995 -3.067 6.433 1.00 6.25 ? 40 TYR C CE1 1 ATOM 7437 C CE2 . TYR C 1 40 ? 24.030 -4.611 4.908 1.00 7.76 ? 40 TYR C CE2 1 ATOM 7438 C CZ . TYR C 1 40 ? 24.008 -3.939 6.136 1.00 5.93 ? 40 TYR C CZ 1 ATOM 7439 O OH . TYR C 1 40 ? 25.008 -4.158 7.074 1.00 8.85 ? 40 TYR C OH 1 ATOM 7440 H H . TYR C 1 40 ? 19.035 -1.863 1.693 1.00 7.84 ? 40 TYR C H 1 ATOM 7441 H HA . TYR C 1 40 ? 19.675 -1.931 4.323 1.00 7.81 ? 40 TYR C HA 1 ATOM 7442 H HB2 . TYR C 1 40 ? 20.232 -4.065 3.412 1.00 8.27 ? 40 TYR C HB2 1 ATOM 7443 H HB3 . TYR C 1 40 ? 21.229 -3.337 2.427 1.00 8.27 ? 40 TYR C HB3 1 ATOM 7444 H HD1 . TYR C 1 40 ? 21.269 -2.277 5.761 1.00 9.36 ? 40 TYR C HD1 1 ATOM 7445 H HD2 . TYR C 1 40 ? 22.983 -4.813 3.187 1.00 7.47 ? 40 TYR C HD2 1 ATOM 7446 H HE1 . TYR C 1 40 ? 22.979 -2.645 7.262 1.00 7.48 ? 40 TYR C HE1 1 ATOM 7447 H HE2 . TYR C 1 40 ? 24.721 -5.196 4.695 1.00 9.30 ? 40 TYR C HE2 1 ATOM 7448 H HH . TYR C 1 40 ? 25.737 -3.948 6.762 1.00 10.61 ? 40 TYR C HH 1 ATOM 7449 N N . SER C 1 41 ? 20.785 0.181 3.901 1.00 6.93 ? 41 SER C N 1 ATOM 7450 C CA . SER C 1 41 ? 21.420 1.460 3.650 1.00 7.41 ? 41 SER C CA 1 ATOM 7451 C C . SER C 1 41 ? 22.008 1.966 4.935 1.00 7.96 ? 41 SER C C 1 ATOM 7452 O O . SER C 1 41 ? 21.392 1.759 6.000 1.00 11.11 ? 41 SER C O 1 ATOM 7453 C CB . SER C 1 41 ? 20.379 2.465 3.171 1.00 7.92 ? 41 SER C CB 1 ATOM 7454 O OG . SER C 1 41 ? 20.947 3.768 2.997 1.00 8.35 ? 41 SER C OG 1 ATOM 7455 H H . SER C 1 41 ? 20.406 0.133 4.672 1.00 8.31 ? 41 SER C H 1 ATOM 7456 H HA . SER C 1 41 ? 22.126 1.370 2.976 1.00 8.88 ? 41 SER C HA 1 ATOM 7457 H HB2 . SER C 1 41 ? 20.019 2.164 2.322 1.00 9.49 ? 41 SER C HB2 1 ATOM 7458 H HB3 . SER C 1 41 ? 19.669 2.518 3.830 1.00 9.49 ? 41 SER C HB3 1 ATOM 7459 H HG . SER C 1 41 ? 21.745 3.754 3.186 1.00 10.01 ? 41 SER C HG 1 ATOM 7460 N N . ASP C 1 42 ? 23.140 2.651 4.878 1.00 7.30 ? 42 ASP C N 1 ATOM 7461 C CA . ASP C 1 42 ? 23.652 3.317 6.075 1.00 7.97 ? 42 ASP C CA 1 ATOM 7462 C C . ASP C 1 42 ? 23.586 4.848 5.973 1.00 8.68 ? 42 ASP C C 1 ATOM 7463 O O . ASP C 1 42 ? 24.286 5.556 6.728 1.00 10.62 ? 42 ASP C O 1 ATOM 7464 C CB . ASP C 1 42 ? 25.032 2.764 6.499 1.00 8.18 ? 42 ASP C CB 1 ATOM 7465 C CG . ASP C 1 42 ? 26.104 2.901 5.444 1.00 9.72 ? 42 ASP C CG 1 ATOM 7466 O OD1 . ASP C 1 42 ? 25.989 3.748 4.538 1.00 10.21 ? 42 ASP C OD1 1 ATOM 7467 O OD2 . ASP C 1 42 ? 27.128 2.179 5.524 1.00 9.82 ? 42 ASP C OD2 1 ATOM 7468 H H . ASP C 1 42 ? 23.625 2.747 4.175 1.00 8.75 ? 42 ASP C H 1 ATOM 7469 H HA . ASP C 1 42 ? 23.043 3.080 6.805 1.00 9.55 ? 42 ASP C HA 1 ATOM 7470 H HB2 . ASP C 1 42 ? 25.331 3.245 7.287 1.00 9.80 ? 42 ASP C HB2 1 ATOM 7471 H HB3 . ASP C 1 42 ? 24.940 1.821 6.706 1.00 9.80 ? 42 ASP C HB3 1 ATOM 7472 N N . LEU C 1 43 ? 22.701 5.352 5.132 1.00 7.56 ? 43 LEU C N 1 ATOM 7473 C CA . LEU C 1 43 ? 22.335 6.774 5.167 1.00 8.02 ? 43 LEU C CA 1 ATOM 7474 C C . LEU C 1 43 ? 21.569 7.122 6.415 1.00 7.56 ? 43 LEU C C 1 ATOM 7475 O O . LEU C 1 43 ? 20.711 6.366 6.865 1.00 10.12 ? 43 LEU C O 1 ATOM 7476 C CB . LEU C 1 43 ? 21.466 7.152 3.979 1.00 9.16 ? 43 LEU C CB 1 ATOM 7477 C CG . LEU C 1 43 ? 22.110 7.104 2.597 1.00 8.57 ? 43 LEU C CG 1 ATOM 7478 C CD1 . LEU C 1 43 ? 20.993 7.262 1.541 1.00 10.26 ? 43 LEU C CD1 1 ATOM 7479 C CD2 . LEU C 1 43 ? 23.160 8.166 2.461 1.00 8.79 ? 43 LEU C CD2 1 ATOM 7480 H H . LEU C 1 43 ? 22.291 4.899 4.527 1.00 9.06 ? 43 LEU C H 1 ATOM 7481 H HA . LEU C 1 43 ? 23.149 7.320 5.141 1.00 9.61 ? 43 LEU C HA 1 ATOM 7482 H HB2 . LEU C 1 43 ? 20.705 6.550 3.960 1.00 10.98 ? 43 LEU C HB2 1 ATOM 7483 H HB3 . LEU C 1 43 ? 21.150 8.059 4.114 1.00 10.98 ? 43 LEU C HB3 1 ATOM 7484 H HG . LEU C 1 43 ? 22.531 6.239 2.469 1.00 10.28 ? 43 LEU C HG 1 ATOM 7485 H HD11 . LEU C 1 43 ? 21.385 7.234 0.665 1.00 12.30 ? 43 LEU C HD11 1 ATOM 7486 H HD12 . LEU C 1 43 ? 20.364 6.545 1.642 1.00 12.30 ? 43 LEU C HD12 1 ATOM 7487 H HD13 . LEU C 1 43 ? 20.554 8.105 1.676 1.00 12.30 ? 43 LEU C HD13 1 ATOM 7488 H HD21 . LEU C 1 43 ? 23.547 8.112 1.585 1.00 10.54 ? 43 LEU C HD21 1 ATOM 7489 H HD22 . LEU C 1 43 ? 22.752 9.026 2.587 1.00 10.54 ? 43 LEU C HD22 1 ATOM 7490 H HD23 . LEU C 1 43 ? 23.836 8.023 3.128 1.00 10.54 ? 43 LEU C HD23 1 ATOM 7491 N N . SER C 1 44 ? 21.884 8.302 6.953 1.00 10.88 ? 44 SER C N 1 ATOM 7492 C CA . SER C 1 44 ? 21.095 8.899 8.035 1.00 12.01 ? 44 SER C CA 1 ATOM 7493 C C . SER C 1 44 ? 20.156 9.991 7.550 1.00 9.76 ? 44 SER C C 1 ATOM 7494 O O . SER C 1 44 ? 19.120 10.245 8.198 1.00 12.18 ? 44 SER C O 1 ATOM 7495 C CB . SER C 1 44 ? 22.027 9.502 9.099 1.00 14.40 ? 44 SER C CB 1 ATOM 7496 O OG . SER C 1 44 ? 22.695 8.499 9.807 1.00 19.34 ? 44 SER C OG 1 ATOM 7497 H H . SER C 1 44 ? 22.554 8.781 6.707 1.00 13.04 ? 44 SER C H 1 ATOM 7498 H HA . SER C 1 44 ? 20.556 8.201 8.462 1.00 14.40 ? 44 SER C HA 1 ATOM 7499 H HB2 . SER C 1 44 ? 22.682 10.068 8.661 1.00 17.27 ? 44 SER C HB2 1 ATOM 7500 H HB3 . SER C 1 44 ? 21.498 10.027 9.720 1.00 17.27 ? 44 SER C HB3 1 ATOM 7501 H HG . SER C 1 44 ? 22.471 7.762 9.527 1.00 23.19 ? 44 SER C HG 1 ATOM 7502 N N . ARG C 1 45 ? 20.511 10.650 6.463 1.00 11.21 ? 45 ARG C N 1 ATOM 7503 C CA . ARG C 1 45 ? 19.638 11.652 5.874 1.00 10.01 ? 45 ARG C CA 1 ATOM 7504 C C . ARG C 1 45 ? 18.385 10.984 5.294 1.00 10.40 ? 45 ARG C C 1 ATOM 7505 O O . ARG C 1 45 ? 18.311 9.758 5.185 1.00 11.71 ? 45 ARG C O 1 ATOM 7506 C CB . ARG C 1 45 ? 20.344 12.468 4.807 1.00 10.66 ? 45 ARG C CB 1 ATOM 7507 C CG . ARG C 1 45 ? 20.745 11.652 3.560 1.00 10.86 ? 45 ARG C CG 1 ATOM 7508 C CD . ARG C 1 45 ? 21.011 12.576 2.378 1.00 12.87 ? 45 ARG C CD 1 ATOM 7509 N NE . ARG C 1 45 ? 21.724 11.862 1.333 1.00 12.63 ? 45 ARG C NE 1 ATOM 7510 C CZ . ARG C 1 45 ? 21.141 11.050 0.464 1.00 10.73 ? 45 ARG C CZ 1 ATOM 7511 N NH1 . ARG C 1 45 ? 19.843 10.814 0.517 1.00 9.89 ? 45 ARG C NH1 1 ATOM 7512 N NH2 . ARG C 1 45 ? 21.885 10.440 -0.444 1.00 10.72 ? 45 ARG C NH2 1 ATOM 7513 H H . ARG C 1 45 ? 21.253 10.537 6.044 1.00 13.44 ? 45 ARG C H 1 ATOM 7514 H HA . ARG C 1 45 ? 19.348 12.269 6.578 1.00 12.01 ? 45 ARG C HA 1 ATOM 7515 H HB2 . ARG C 1 45 ? 19.754 13.181 4.517 1.00 12.78 ? 45 ARG C HB2 1 ATOM 7516 H HB3 . ARG C 1 45 ? 21.153 12.845 5.187 1.00 12.78 ? 45 ARG C HB3 1 ATOM 7517 H HG2 . ARG C 1 45 ? 21.554 11.152 3.748 1.00 13.02 ? 45 ARG C HG2 1 ATOM 7518 H HG3 . ARG C 1 45 ? 20.022 11.050 3.323 1.00 13.02 ? 45 ARG C HG3 1 ATOM 7519 H HD2 . ARG C 1 45 ? 20.168 12.890 2.016 1.00 15.43 ? 45 ARG C HD2 1 ATOM 7520 H HD3 . ARG C 1 45 ? 21.557 13.323 2.667 1.00 15.43 ? 45 ARG C HD3 1 ATOM 7521 H HE . ARG C 1 45 ? 22.664 12.064 1.206 1.00 15.15 ? 45 ARG C HE 1 ATOM 7522 H HH11 . ARG C 1 45 ? 19.358 11.205 1.110 1.00 11.86 ? 45 ARG C HH11 1 ATOM 7523 H HH12 . ARG C 1 45 ? 19.479 10.280 -0.051 1.00 11.86 ? 45 ARG C HH12 1 ATOM 7524 H HH21 . ARG C 1 45 ? 22.731 10.589 -0.477 1.00 12.86 ? 45 ARG C HH21 1 ATOM 7525 H HH22 . ARG C 1 45 ? 21.520 9.907 -1.012 1.00 12.86 ? 45 ARG C HH22 1 ATOM 7526 N N . ALA C 1 46 ? 17.425 11.800 4.910 1.00 11.49 ? 46 ALA C N 1 ATOM 7527 C CA . ALA C 1 46 ? 16.197 11.323 4.287 1.00 11.41 ? 46 ALA C CA 1 ATOM 7528 C C . ALA C 1 46 ? 16.477 10.756 2.912 1.00 10.94 ? 46 ALA C C 1 ATOM 7529 O O . ALA C 1 46 ? 17.418 11.173 2.239 1.00 11.99 ? 46 ALA C O 1 ATOM 7530 C CB . ALA C 1 46 ? 15.173 12.476 4.158 1.00 14.88 ? 46 ALA C CB 1 ATOM 7531 H H . ALA C 1 46 ? 17.456 12.655 5.000 1.00 13.78 ? 46 ALA C H 1 ATOM 7532 H HA . ALA C 1 46 ? 15.802 10.617 4.840 1.00 13.68 ? 46 ALA C HA 1 ATOM 7533 H HB1 . ALA C 1 46 ? 14.374 12.140 3.745 1.00 17.84 ? 46 ALA C HB1 1 ATOM 7534 H HB2 . ALA C 1 46 ? 14.972 12.815 5.033 1.00 17.84 ? 46 ALA C HB2 1 ATOM 7535 H HB3 . ALA C 1 46 ? 15.553 13.172 3.616 1.00 17.84 ? 46 ALA C HB3 1 ATOM 7536 N N . TYR C 1 47 ? 15.666 9.789 2.500 1.00 10.00 ? 47 TYR C N 1 ATOM 7537 C CA . TYR C 1 47 ? 15.789 9.252 1.134 1.00 9.31 ? 47 TYR C CA 1 ATOM 7538 C C . TYR C 1 47 ? 14.520 8.581 0.687 1.00 8.68 ? 47 TYR C C 1 ATOM 7539 O O . TYR C 1 47 ? 13.725 8.132 1.487 1.00 9.80 ? 47 TYR C O 1 ATOM 7540 C CB . TYR C 1 47 ? 16.945 8.257 1.037 1.00 9.40 ? 47 TYR C CB 1 ATOM 7541 C CG . TYR C 1 47 ? 16.976 7.137 2.045 1.00 7.36 ? 47 TYR C CG 1 ATOM 7542 C CD1 . TYR C 1 47 ? 16.265 5.960 1.839 1.00 7.41 ? 47 TYR C CD1 1 ATOM 7543 C CD2 . TYR C 1 47 ? 17.738 7.239 3.204 1.00 8.83 ? 47 TYR C CD2 1 ATOM 7544 C CE1 . TYR C 1 47 ? 16.329 4.924 2.756 1.00 8.55 ? 47 TYR C CE1 1 ATOM 7545 C CE2 . TYR C 1 47 ? 17.797 6.228 4.142 1.00 9.42 ? 47 TYR C CE2 1 ATOM 7546 C CZ . TYR C 1 47 ? 17.113 5.046 3.909 1.00 8.23 ? 47 TYR C CZ 1 ATOM 7547 O OH . TYR C 1 47 ? 17.195 4.003 4.818 1.00 10.74 ? 47 TYR C OH 1 ATOM 7548 H H . TYR C 1 47 ? 15.045 9.429 2.974 1.00 11.99 ? 47 TYR C H 1 ATOM 7549 H HA . TYR C 1 47 ? 15.973 9.990 0.517 1.00 11.16 ? 47 TYR C HA 1 ATOM 7550 H HB2 . TYR C 1 47 ? 16.917 7.849 0.158 1.00 11.27 ? 47 TYR C HB2 1 ATOM 7551 H HB3 . TYR C 1 47 ? 17.775 8.750 1.134 1.00 11.27 ? 47 TYR C HB3 1 ATOM 7552 H HD1 . TYR C 1 47 ? 15.760 5.858 1.065 1.00 8.88 ? 47 TYR C HD1 1 ATOM 7553 H HD2 . TYR C 1 47 ? 18.218 8.021 3.357 1.00 10.59 ? 47 TYR C HD2 1 ATOM 7554 H HE1 . TYR C 1 47 ? 15.862 4.136 2.596 1.00 10.25 ? 47 TYR C HE1 1 ATOM 7555 H HE2 . TYR C 1 47 ? 18.334 6.319 4.896 1.00 11.29 ? 47 TYR C HE2 1 ATOM 7556 H HH . TYR C 1 47 ? 16.925 4.248 5.552 1.00 12.88 ? 47 TYR C HH 1 ATOM 7557 N N . SER C 1 48 ? 14.330 8.513 -0.624 1.00 8.07 ? 48 SER C N 1 ATOM 7558 C CA . SER C 1 48 ? 13.209 7.823 -1.219 1.00 7.27 ? 48 SER C CA 1 ATOM 7559 C C . SER C 1 48 ? 13.504 6.353 -1.416 1.00 7.50 ? 48 SER C C 1 ATOM 7560 O O . SER C 1 48 ? 14.581 6.005 -1.904 1.00 9.24 ? 48 SER C O 1 ATOM 7561 C CB . SER C 1 48 ? 12.914 8.439 -2.580 1.00 10.51 ? 48 SER C CB 1 ATOM 7562 O OG . SER C 1 48 ? 11.868 7.742 -3.205 1.00 10.38 ? 48 SER C OG 1 ATOM 7563 H H . SER C 1 48 ? 14.856 8.872 -1.201 1.00 9.67 ? 48 SER C H 1 ATOM 7564 H HA . SER C 1 48 ? 12.417 7.916 -0.649 1.00 8.72 ? 48 SER C HA 1 ATOM 7565 H HB2 . SER C 1 48 ? 12.653 9.366 -2.461 1.00 12.60 ? 48 SER C HB2 1 ATOM 7566 H HB3 . SER C 1 48 ? 13.709 8.384 -3.134 1.00 12.60 ? 48 SER C HB3 1 ATOM 7567 H HG . SER C 1 48 ? 11.709 8.073 -3.938 1.00 12.45 ? 48 SER C HG 1 ATOM 7568 N N . LEU C 1 49 ? 12.552 5.508 -1.024 1.00 6.57 ? 49 LEU C N 1 ATOM 7569 C CA . LEU C 1 49 ? 12.649 4.081 -1.272 1.00 6.68 ? 49 LEU C CA 1 ATOM 7570 C C . LEU C 1 49 ? 11.953 3.639 -2.547 1.00 8.02 ? 49 LEU C C 1 ATOM 7571 O O . LEU C 1 49 ? 12.453 2.774 -3.233 1.00 8.64 ? 49 LEU C O 1 ATOM 7572 C CB . LEU C 1 49 ? 12.066 3.323 -0.088 1.00 8.68 ? 49 LEU C CB 1 ATOM 7573 C CG . LEU C 1 49 ? 12.993 3.326 1.134 1.00 10.99 ? 49 LEU C CG 1 ATOM 7574 C CD1 . LEU C 1 49 ? 12.230 2.991 2.435 1.00 14.40 ? 49 LEU C CD1 1 ATOM 7575 C CD2 . LEU C 1 49 ? 14.177 2.397 0.931 1.00 12.10 ? 49 LEU C CD2 1 ATOM 7576 H H . LEU C 1 49 ? 11.837 5.743 -0.609 1.00 7.87 ? 49 LEU C H 1 ATOM 7577 H HA . LEU C 1 49 ? 13.595 3.837 -1.348 1.00 8.00 ? 49 LEU C HA 1 ATOM 7578 H HB2 . LEU C 1 49 ? 11.228 3.737 0.171 1.00 10.40 ? 49 LEU C HB2 1 ATOM 7579 H HB3 . LEU C 1 49 ? 11.914 2.400 -0.347 1.00 10.40 ? 49 LEU C HB3 1 ATOM 7580 H HG . LEU C 1 49 ? 13.350 4.222 1.238 1.00 13.18 ? 49 LEU C HG 1 ATOM 7581 H HD11 . LEU C 1 49 ? 12.847 3.004 3.170 1.00 17.27 ? 49 LEU C HD11 1 ATOM 7582 H HD12 . LEU C 1 49 ? 11.543 3.648 2.571 1.00 17.27 ? 49 LEU C HD12 1 ATOM 7583 H HD13 . LEU C 1 49 ? 11.838 2.119 2.351 1.00 17.27 ? 49 LEU C HD13 1 ATOM 7584 H HD21 . LEU C 1 49 ? 14.733 2.425 1.714 1.00 14.51 ? 49 LEU C HD21 1 ATOM 7585 H HD22 . LEU C 1 49 ? 13.852 1.505 0.791 1.00 14.51 ? 49 LEU C HD22 1 ATOM 7586 H HD23 . LEU C 1 49 ? 14.675 2.689 0.165 1.00 14.51 ? 49 LEU C HD23 1 ATOM 7587 N N . PHE C 1 50 ? 10.795 4.206 -2.864 1.00 7.33 ? 50 PHE C N 1 ATOM 7588 C CA . PHE C 1 50 ? 10.015 3.805 -4.037 1.00 7.90 ? 50 PHE C CA 1 ATOM 7589 C C . PHE C 1 50 ? 9.202 5.003 -4.487 1.00 6.59 ? 50 PHE C C 1 ATOM 7590 O O . PHE C 1 50 ? 8.378 5.520 -3.736 1.00 7.14 ? 50 PHE C O 1 ATOM 7591 C CB . PHE C 1 50 ? 9.073 2.669 -3.641 1.00 7.18 ? 50 PHE C CB 1 ATOM 7592 C CG . PHE C 1 50 ? 8.207 2.093 -4.763 1.00 7.65 ? 50 PHE C CG 1 ATOM 7593 C CD1 . PHE C 1 50 ? 6.964 2.626 -5.046 1.00 8.32 ? 50 PHE C CD1 1 ATOM 7594 C CD2 . PHE C 1 50 ? 8.607 0.952 -5.440 1.00 6.84 ? 50 PHE C CD2 1 ATOM 7595 C CE1 . PHE C 1 50 ? 6.130 2.061 -5.993 1.00 8.12 ? 50 PHE C CE1 1 ATOM 7596 C CE2 . PHE C 1 50 ? 7.770 0.404 -6.411 1.00 6.99 ? 50 PHE C CE2 1 ATOM 7597 C CZ . PHE C 1 50 ? 6.543 0.962 -6.673 1.00 9.06 ? 50 PHE C CZ 1 ATOM 7598 H H . PHE C 1 50 ? 10.430 4.837 -2.407 1.00 8.79 ? 50 PHE C H 1 ATOM 7599 H HA . PHE C 1 50 ? 10.604 3.511 -4.764 1.00 9.47 ? 50 PHE C HA 1 ATOM 7600 H HB2 . PHE C 1 50 ? 9.606 1.942 -3.284 1.00 8.60 ? 50 PHE C HB2 1 ATOM 7601 H HB3 . PHE C 1 50 ? 8.473 2.997 -2.952 1.00 8.60 ? 50 PHE C HB3 1 ATOM 7602 H HD1 . PHE C 1 50 ? 6.670 3.369 -4.570 1.00 9.97 ? 50 PHE C HD1 1 ATOM 7603 H HD2 . PHE C 1 50 ? 9.432 0.562 -5.258 1.00 8.20 ? 50 PHE C HD2 1 ATOM 7604 H HE1 . PHE C 1 50 ? 5.308 2.450 -6.186 1.00 9.73 ? 50 PHE C HE1 1 ATOM 7605 H HE2 . PHE C 1 50 ? 8.044 -0.349 -6.884 1.00 8.38 ? 50 PHE C HE2 1 ATOM 7606 H HZ . PHE C 1 50 ? 6.001 0.597 -7.335 1.00 10.86 ? 50 PHE C HZ 1 ATOM 7607 N N . SER C 1 51 ? 9.457 5.439 -5.714 1.00 8.22 ? 51 SER C N 1 ATOM 7608 C CA . SER C 1 51 ? 8.887 6.676 -6.264 1.00 7.11 ? 51 SER C CA 1 ATOM 7609 C C . SER C 1 51 ? 8.020 6.375 -7.474 1.00 7.55 ? 51 SER C C 1 ATOM 7610 O O . SER C 1 51 ? 8.537 5.877 -8.476 1.00 8.37 ? 51 SER C O 1 ATOM 7611 C CB . SER C 1 51 ? 10.032 7.611 -6.605 1.00 7.67 ? 51 SER C CB 1 ATOM 7612 O OG . SER C 1 51 ? 9.583 8.756 -7.323 1.00 8.96 ? 51 SER C OG 1 ATOM 7613 H H . SER C 1 51 ? 9.972 5.028 -6.267 1.00 9.85 ? 51 SER C H 1 ATOM 7614 H HA . SER C 1 51 ? 8.328 7.107 -5.583 1.00 8.52 ? 51 SER C HA 1 ATOM 7615 H HB2 . SER C 1 51 ? 10.454 7.903 -5.782 1.00 9.19 ? 51 SER C HB2 1 ATOM 7616 H HB3 . SER C 1 51 ? 10.675 7.132 -7.151 1.00 9.19 ? 51 SER C HB3 1 ATOM 7617 H HG . SER C 1 51 ? 8.771 8.717 -7.433 1.00 10.74 ? 51 SER C HG 1 ATOM 7618 N N . TYR C 1 52 ? 6.740 6.674 -7.397 1.00 8.25 ? 52 TYR C N 1 ATOM 7619 C CA . TYR C 1 52 ? 5.744 6.404 -8.450 1.00 7.83 ? 52 TYR C CA 1 ATOM 7620 C C . TYR C 1 52 ? 5.052 7.727 -8.745 1.00 7.84 ? 52 TYR C C 1 ATOM 7621 O O . TYR C 1 52 ? 4.322 8.275 -7.907 1.00 9.58 ? 52 TYR C O 1 ATOM 7622 C CB . TYR C 1 52 ? 4.825 5.307 -7.924 1.00 9.44 ? 52 TYR C CB 1 ATOM 7623 C CG . TYR C 1 52 ? 3.564 4.904 -8.657 1.00 9.27 ? 52 TYR C CG 1 ATOM 7624 C CD1 . TYR C 1 52 ? 3.320 3.563 -8.920 1.00 9.67 ? 52 TYR C CD1 1 ATOM 7625 C CD2 . TYR C 1 52 ? 2.569 5.819 -8.953 1.00 9.13 ? 52 TYR C CD2 1 ATOM 7626 C CE1 . TYR C 1 52 ? 2.153 3.145 -9.492 1.00 10.29 ? 52 TYR C CE1 1 ATOM 7627 C CE2 . TYR C 1 52 ? 1.379 5.403 -9.564 1.00 11.04 ? 52 TYR C CE2 1 ATOM 7628 C CZ . TYR C 1 52 ? 1.185 4.058 -9.808 1.00 10.96 ? 52 TYR C CZ 1 ATOM 7629 O OH . TYR C 1 52 ? 0.053 3.583 -10.411 1.00 13.39 ? 52 TYR C OH 1 ATOM 7630 H H . TYR C 1 52 ? 6.394 7.055 -6.708 1.00 9.88 ? 52 TYR C H 1 ATOM 7631 H HA . TYR C 1 52 ? 6.190 6.087 -9.263 1.00 9.38 ? 52 TYR C HA 1 ATOM 7632 H HB2 . TYR C 1 52 ? 5.360 4.501 -7.847 1.00 11.32 ? 52 TYR C HB2 1 ATOM 7633 H HB3 . TYR C 1 52 ? 4.545 5.574 -7.035 1.00 11.32 ? 52 TYR C HB3 1 ATOM 7634 H HD1 . TYR C 1 52 ? 3.962 2.931 -8.687 1.00 11.59 ? 52 TYR C HD1 1 ATOM 7635 H HD2 . TYR C 1 52 ? 2.702 6.720 -8.767 1.00 10.94 ? 52 TYR C HD2 1 ATOM 7636 H HE1 . TYR C 1 52 ? 2.023 2.244 -9.680 1.00 12.34 ? 52 TYR C HE1 1 ATOM 7637 H HE2 . TYR C 1 52 ? 0.720 6.021 -9.782 1.00 13.24 ? 52 TYR C HE2 1 ATOM 7638 H HH . TYR C 1 52 ? -0.041 3.934 -11.146 1.00 16.05 ? 52 TYR C HH 1 ATOM 7639 N N . ASN C 1 53 ? 5.311 8.251 -9.948 1.00 9.22 ? 53 ASN C N 1 ATOM 7640 C CA . ASN C 1 53 ? 4.725 9.494 -10.409 1.00 10.65 ? 53 ASN C CA 1 ATOM 7641 C C . ASN C 1 53 ? 3.930 9.228 -11.681 1.00 11.56 ? 53 ASN C C 1 ATOM 7642 O O . ASN C 1 53 ? 4.170 8.267 -12.375 1.00 11.95 ? 53 ASN C O 1 ATOM 7643 C CB . ASN C 1 53 ? 5.787 10.550 -10.716 1.00 9.83 ? 53 ASN C CB 1 ATOM 7644 C CG . ASN C 1 53 ? 6.231 11.332 -9.494 1.00 11.48 ? 53 ASN C CG 1 ATOM 7645 O OD1 . ASN C 1 53 ? 5.924 10.955 -8.342 1.00 10.80 ? 53 ASN C OD1 1 ATOM 7646 N ND2 . ASN C 1 53 ? 6.944 12.433 -9.733 1.00 9.40 ? 53 ASN C ND2 1 ATOM 7647 H H . ASN C 1 53 ? 5.839 7.889 -10.523 1.00 11.05 ? 53 ASN C H 1 ATOM 7648 H HA . ASN C 1 53 ? 4.118 9.847 -9.726 1.00 12.77 ? 53 ASN C HA 1 ATOM 7649 H HB2 . ASN C 1 53 ? 6.568 10.112 -11.089 1.00 11.78 ? 53 ASN C HB2 1 ATOM 7650 H HB3 . ASN C 1 53 ? 5.425 11.181 -11.358 1.00 11.78 ? 53 ASN C HB3 1 ATOM 7651 H HD21 . ASN C 1 53 ? 7.262 12.983 -8.987 1.00 11.27 ? 53 ASN C HD21 1 ATOM 7652 H HD22 . ASN C 1 53 ? 7.151 12.692 -10.655 1.00 11.27 ? 53 ASN C HD22 1 ATOM 7653 N N . THR C 1 54 ? 2.932 10.066 -11.960 1.00 9.37 ? 54 THR C N 1 ATOM 7654 C CA . THR C 1 54 ? 2.162 9.922 -13.197 1.00 11.09 ? 54 THR C CA 1 ATOM 7655 C C . THR C 1 54 ? 2.159 11.278 -13.888 1.00 12.25 ? 54 THR C C 1 ATOM 7656 O O . THR C 1 54 ? 2.701 12.254 -13.401 1.00 13.56 ? 54 THR C O 1 ATOM 7657 C CB . THR C 1 54 ? 0.727 9.414 -12.914 1.00 12.76 ? 54 THR C CB 1 ATOM 7658 O OG1 . THR C 1 54 ? -0.028 10.413 -12.182 1.00 15.55 ? 54 THR C OG1 1 ATOM 7659 C CG2 . THR C 1 54 ? 0.774 8.112 -12.142 1.00 12.28 ? 54 THR C CG2 1 ATOM 7660 H H . THR C 1 54 ? 2.682 10.717 -11.457 1.00 11.23 ? 54 THR C H 1 ATOM 7661 H HA . THR C 1 54 ? 2.608 9.277 -13.784 1.00 13.30 ? 54 THR C HA 1 ATOM 7662 H HB . THR C 1 54 ? 0.283 9.243 -13.759 1.00 15.30 ? 54 THR C HB 1 ATOM 7663 H HG1 . THR C 1 54 ? -0.075 11.105 -12.620 1.00 18.65 ? 54 THR C HG1 1 ATOM 7664 H HG21 . THR C 1 54 ? -0.118 7.801 -11.969 1.00 14.72 ? 54 THR C HG21 1 ATOM 7665 H HG22 . THR C 1 54 ? 1.243 7.446 -12.650 1.00 14.72 ? 54 THR C HG22 1 ATOM 7666 H HG23 . THR C 1 54 ? 1.226 8.243 -11.305 1.00 14.72 ? 54 THR C HG23 1 ATOM 7667 N N . GLN C 1 55 ? 1.574 11.337 -15.081 1.00 15.57 ? 55 GLN C N 1 ATOM 7668 C CA . GLN C 1 55 ? 1.724 12.555 -15.858 1.00 17.76 ? 55 GLN C CA 1 ATOM 7669 C C . GLN C 1 55 ? 1.001 13.708 -15.160 1.00 13.80 ? 55 GLN C C 1 ATOM 7670 O O . GLN C 1 55 ? -0.184 13.617 -14.870 1.00 16.49 ? 55 GLN C O 1 ATOM 7671 C CB . GLN C 1 55 ? 1.185 12.338 -17.272 1.00 17.61 ? 55 GLN C CB 1 ATOM 7672 C CG . GLN C 1 55 ? 1.367 13.571 -18.194 1.00 23.99 ? 55 GLN C CG 1 ATOM 7673 C CD . GLN C 1 55 ? 2.823 13.928 -18.442 1.00 27.76 ? 55 GLN C CD 1 ATOM 7674 O OE1 . GLN C 1 55 ? 3.558 13.158 -19.045 1.00 31.85 ? 55 GLN C OE1 1 ATOM 7675 N NE2 . GLN C 1 55 ? 3.232 15.107 -17.995 1.00 31.22 ? 55 GLN C NE2 1 ATOM 7676 H H . GLN C 1 55 ? 1.106 10.715 -15.447 1.00 18.67 ? 55 GLN C H 1 ATOM 7677 H HA . GLN C 1 55 ? 2.675 12.783 -15.923 1.00 21.30 ? 55 GLN C HA 1 ATOM 7678 H HB2 . GLN C 1 55 ? 1.655 11.592 -17.676 1.00 21.12 ? 55 GLN C HB2 1 ATOM 7679 H HB3 . GLN C 1 55 ? 0.237 12.142 -17.220 1.00 21.12 ? 55 GLN C HB3 1 ATOM 7680 H HG2 . GLN C 1 55 ? 0.956 13.385 -19.052 1.00 28.78 ? 55 GLN C HG2 1 ATOM 7681 H HG3 . GLN C 1 55 ? 0.938 14.338 -17.782 1.00 28.78 ? 55 GLN C HG3 1 ATOM 7682 H HE21 . GLN C 1 55 ? 4.048 15.352 -18.112 1.00 37.45 ? 55 GLN C HE21 1 ATOM 7683 H HE22 . GLN C 1 55 ? 2.682 15.627 -17.588 1.00 37.45 ? 55 GLN C HE22 1 ATOM 7684 N N . GLY C 1 56 ? 1.754 14.751 -14.847 1.00 14.91 ? 56 GLY C N 1 ATOM 7685 C CA . GLY C 1 56 ? 1.232 15.905 -14.152 1.00 15.04 ? 56 GLY C CA 1 ATOM 7686 C C . GLY C 1 56 ? 1.037 15.734 -12.651 1.00 14.72 ? 56 GLY C C 1 ATOM 7687 O O . GLY C 1 56 ? 0.522 16.634 -11.992 1.00 16.15 ? 56 GLY C O 1 ATOM 7688 H H . GLY C 1 56 ? 2.591 14.811 -15.034 1.00 17.88 ? 56 GLY C H 1 ATOM 7689 H HA2 . GLY C 1 56 ? 1.836 16.652 -14.289 1.00 18.04 ? 56 GLY C HA2 1 ATOM 7690 H HA3 . GLY C 1 56 ? 0.374 16.141 -14.538 1.00 18.04 ? 56 GLY C HA3 1 ATOM 7691 N N . ARG C 1 57 ? 1.452 14.587 -12.118 1.00 14.86 ? 57 ARG C N 1 ATOM 7692 C CA . ARG C 1 57 ? 1.248 14.289 -10.708 1.00 12.88 ? 57 ARG C CA 1 ATOM 7693 C C . ARG C 1 57 ? 2.521 13.785 -10.056 1.00 12.35 ? 57 ARG C C 1 ATOM 7694 O O . ARG C 1 57 ? 2.964 12.649 -10.294 1.00 13.76 ? 57 ARG C O 1 ATOM 7695 C CB . ARG C 1 57 ? 0.129 13.288 -10.530 1.00 10.78 ? 57 ARG C CB 1 ATOM 7696 C CG . ARG C 1 57 ? -1.182 13.744 -11.177 1.00 12.24 ? 57 ARG C CG 1 ATOM 7697 C CD . ARG C 1 57 ? -2.342 12.878 -10.808 1.00 12.67 ? 57 ARG C CD 1 ATOM 7698 N NE . ARG C 1 57 ? -2.696 12.964 -9.393 1.00 12.98 ? 57 ARG C NE 1 ATOM 7699 C CZ . ARG C 1 57 ? -3.441 13.906 -8.842 1.00 14.55 ? 57 ARG C CZ 1 ATOM 7700 N NH1 . ARG C 1 57 ? -3.672 13.868 -7.531 1.00 14.99 ? 57 ARG C NH1 1 ATOM 7701 N NH2 . ARG C 1 57 ? -3.968 14.894 -9.582 1.00 16.60 ? 57 ARG C NH2 1 ATOM 7702 H H . ARG C 1 57 ? 1.855 13.965 -12.555 1.00 17.82 ? 57 ARG C H 1 ATOM 7703 H HA . ARG C 1 57 ? 0.985 15.114 -10.248 1.00 15.45 ? 57 ARG C HA 1 ATOM 7704 H HB2 . ARG C 1 57 ? 0.388 12.448 -10.939 1.00 12.92 ? 57 ARG C HB2 1 ATOM 7705 H HB3 . ARG C 1 57 ? -0.033 13.160 -9.583 1.00 12.92 ? 57 ARG C HB3 1 ATOM 7706 H HG2 . ARG C 1 57 ? -1.379 14.648 -10.887 1.00 14.68 ? 57 ARG C HG2 1 ATOM 7707 H HG3 . ARG C 1 57 ? -1.083 13.719 -12.142 1.00 14.68 ? 57 ARG C HG3 1 ATOM 7708 H HD2 . ARG C 1 57 ? -3.115 13.150 -11.327 1.00 15.19 ? 57 ARG C HD2 1 ATOM 7709 H HD3 . ARG C 1 57 ? -2.120 11.954 -11.005 1.00 15.19 ? 57 ARG C HD3 1 ATOM 7710 H HE . ARG C 1 57 ? -2.355 12.270 -8.808 1.00 15.57 ? 57 ARG C HE 1 ATOM 7711 H HH11 . ARG C 1 57 ? -3.339 13.234 -7.054 1.00 17.97 ? 57 ARG C HH11 1 ATOM 7712 H HH12 . ARG C 1 57 ? -4.161 14.472 -7.162 1.00 17.97 ? 57 ARG C HH12 1 ATOM 7713 H HH21 . ARG C 1 57 ? -3.818 14.924 -10.428 1.00 19.91 ? 57 ARG C HH21 1 ATOM 7714 H HH22 . ARG C 1 57 ? -4.453 15.499 -9.209 1.00 19.91 ? 57 ARG C HH22 1 ATOM 7715 N N . ASP C 1 58 ? 3.083 14.622 -9.204 1.00 10.20 ? 58 ASP C N 1 ATOM 7716 C CA . ASP C 1 58 ? 4.230 14.264 -8.403 1.00 10.21 ? 58 ASP C CA 1 ATOM 7717 C C . ASP C 1 58 ? 3.759 13.654 -7.075 1.00 9.75 ? 58 ASP C C 1 ATOM 7718 O O . ASP C 1 58 ? 2.686 14.001 -6.535 1.00 10.95 ? 58 ASP C O 1 ATOM 7719 C CB . ASP C 1 58 ? 5.060 15.513 -8.150 1.00 11.10 ? 58 ASP C CB 1 ATOM 7720 C CG . ASP C 1 58 ? 6.243 15.270 -7.253 1.00 12.75 ? 58 ASP C CG 1 ATOM 7721 O OD1 . ASP C 1 58 ? 6.996 14.332 -7.536 1.00 11.06 ? 58 ASP C OD1 1 ATOM 7722 O OD2 . ASP C 1 58 ? 6.419 16.016 -6.258 1.00 12.79 ? 58 ASP C OD2 1 ATOM 7723 H H . ASP C 1 58 ? 2.809 15.426 -9.071 1.00 12.22 ? 58 ASP C H 1 ATOM 7724 H HA . ASP C 1 58 ? 4.779 13.607 -8.879 1.00 12.24 ? 58 ASP C HA 1 ATOM 7725 H HB2 . ASP C 1 58 ? 5.393 15.846 -8.998 1.00 13.30 ? 58 ASP C HB2 1 ATOM 7726 H HB3 . ASP C 1 58 ? 4.500 16.183 -7.729 1.00 13.30 ? 58 ASP C HB3 1 ATOM 7727 N N . ASN C 1 59 ? 4.557 12.742 -6.540 1.00 9.23 ? 59 ASN C N 1 ATOM 7728 C CA . ASN C 1 59 ? 4.249 12.048 -5.278 1.00 11.21 ? 59 ASN C CA 1 ATOM 7729 C C . ASN C 1 59 ? 2.911 11.351 -5.311 1.00 11.81 ? 59 ASN C C 1 ATOM 7730 O O . ASN C 1 59 ? 2.151 11.388 -4.342 1.00 10.19 ? 59 ASN C O 1 ATOM 7731 C CB . ASN C 1 59 ? 4.356 12.986 -4.072 1.00 12.03 ? 59 ASN C CB 1 ATOM 7732 C CG . ASN C 1 59 ? 5.703 13.618 -3.980 1.00 9.83 ? 59 ASN C CG 1 ATOM 7733 O OD1 . ASN C 1 59 ? 6.651 13.200 -4.654 1.00 9.92 ? 59 ASN C OD1 1 ATOM 7734 N ND2 . ASN C 1 59 ? 5.822 14.632 -3.137 1.00 11.22 ? 59 ASN C ND2 1 ATOM 7735 H H . ASN C 1 59 ? 5.302 12.496 -6.891 1.00 11.07 ? 59 ASN C H 1 ATOM 7736 H HA . ASN C 1 59 ? 4.925 11.351 -5.152 1.00 13.44 ? 59 ASN C HA 1 ATOM 7737 H HB2 . ASN C 1 59 ? 3.695 13.691 -4.155 1.00 14.43 ? 59 ASN C HB2 1 ATOM 7738 H HB3 . ASN C 1 59 ? 4.204 12.478 -3.259 1.00 14.43 ? 59 ASN C HB3 1 ATOM 7739 H HD21 . ASN C 1 59 ? 6.685 15.086 -3.035 1.00 13.46 ? 59 ASN C HD21 1 ATOM 7740 H HD22 . ASN C 1 59 ? 5.048 14.928 -2.614 1.00 13.46 ? 59 ASN C HD22 1 ATOM 7741 N N . GLU C 1 60 ? 2.619 10.676 -6.422 1.00 8.87 ? 60 GLU C N 1 ATOM 7742 C CA . GLU C 1 60 ? 1.379 9.965 -6.552 1.00 8.79 ? 60 GLU C CA 1 ATOM 7743 C C . GLU C 1 60 ? 1.321 8.727 -5.649 1.00 9.36 ? 60 GLU C C 1 ATOM 7744 O O . GLU C 1 60 ? 0.297 8.454 -5.044 1.00 8.78 ? 60 GLU C O 1 ATOM 7745 C CB . GLU C 1 60 ? 1.146 9.601 -8.027 1.00 9.25 ? 60 GLU C CB 1 ATOM 7746 C CG . GLU C 1 60 ? -0.210 8.967 -8.334 1.00 9.69 ? 60 GLU C CG 1 ATOM 7747 C CD . GLU C 1 60 ? -1.402 9.873 -8.054 1.00 11.09 ? 60 GLU C CD 1 ATOM 7748 O OE1 . GLU C 1 60 ? -1.209 11.109 -7.865 1.00 11.96 ? 60 GLU C OE1 1 ATOM 7749 O OE2 . GLU C 1 60 ? -2.520 9.334 -8.080 1.00 11.78 ? 60 GLU C OE2 1 ATOM 7750 H H . GLU C 1 60 ? 3.132 10.622 -7.111 1.00 10.63 ? 60 GLU C H 1 ATOM 7751 H HA . GLU C 1 60 ? 0.651 10.561 -6.278 1.00 10.53 ? 60 GLU C HA 1 ATOM 7752 H HB2 . GLU C 1 60 ? 1.217 10.409 -8.558 1.00 11.09 ? 60 GLU C HB2 1 ATOM 7753 H HB3 . GLU C 1 60 ? 1.831 8.971 -8.300 1.00 11.09 ? 60 GLU C HB3 1 ATOM 7754 H HG2 . GLU C 1 60 ? -0.235 8.728 -9.274 1.00 11.62 ? 60 GLU C HG2 1 ATOM 7755 H HG3 . GLU C 1 60 ? -0.311 8.170 -7.791 1.00 11.62 ? 60 GLU C HG3 1 ATOM 7756 N N . LEU C 1 61 ? 2.442 8.012 -5.561 1.00 8.73 ? 61 LEU C N 1 ATOM 7757 C CA . LEU C 1 61 ? 2.595 6.930 -4.595 1.00 7.26 ? 61 LEU C CA 1 ATOM 7758 C C . LEU C 1 61 ? 4.082 6.975 -4.253 1.00 8.75 ? 61 LEU C C 1 ATOM 7759 O O . LEU C 1 61 ? 4.928 6.767 -5.108 1.00 9.80 ? 61 LEU C O 1 ATOM 7760 C CB . LEU C 1 61 ? 2.176 5.594 -5.200 1.00 10.53 ? 61 LEU C CB 1 ATOM 7761 C CG . LEU C 1 61 ? 2.080 4.357 -4.316 1.00 11.65 ? 61 LEU C CG 1 ATOM 7762 C CD1 . LEU C 1 61 ? 1.543 3.151 -5.123 1.00 10.94 ? 61 LEU C CD1 1 ATOM 7763 C CD2 . LEU C 1 61 ? 3.417 4.026 -3.676 1.00 13.65 ? 61 LEU C CD2 1 ATOM 7764 H H . LEU C 1 61 ? 3.134 8.137 -6.055 1.00 10.47 ? 61 LEU C H 1 ATOM 7765 H HA . LEU C 1 61 ? 2.066 7.109 -3.790 1.00 8.70 ? 61 LEU C HA 1 ATOM 7766 H HB2 . LEU C 1 61 ? 1.300 5.717 -5.597 1.00 12.62 ? 61 LEU C HB2 1 ATOM 7767 H HB3 . LEU C 1 61 ? 2.809 5.382 -5.903 1.00 12.62 ? 61 LEU C HB3 1 ATOM 7768 H HG . LEU C 1 61 ? 1.449 4.536 -3.602 1.00 13.97 ? 61 LEU C HG 1 ATOM 7769 H HD11 . LEU C 1 61 ? 1.493 2.386 -4.545 1.00 13.11 ? 61 LEU C HD11 1 ATOM 7770 H HD12 . LEU C 1 61 ? 0.671 3.365 -5.461 1.00 13.11 ? 61 LEU C HD12 1 ATOM 7771 H HD13 . LEU C 1 61 ? 2.142 2.972 -5.852 1.00 13.11 ? 61 LEU C HD13 1 ATOM 7772 H HD21 . LEU C 1 61 ? 3.316 3.243 -3.129 1.00 16.36 ? 61 LEU C HD21 1 ATOM 7773 H HD22 . LEU C 1 61 ? 4.062 3.861 -4.367 1.00 16.36 ? 61 LEU C HD22 1 ATOM 7774 H HD23 . LEU C 1 61 ? 3.697 4.769 -3.136 1.00 16.36 ? 61 LEU C HD23 1 ATOM 7775 N N . LEU C 1 62 ? 4.450 7.300 -3.020 1.00 7.17 ? 62 LEU C N 1 ATOM 7776 C CA . LEU C 1 62 ? 5.851 7.431 -2.660 1.00 6.71 ? 62 LEU C CA 1 ATOM 7777 C C . LEU C 1 62 ? 6.064 6.806 -1.296 1.00 6.49 ? 62 LEU C C 1 ATOM 7778 O O . LEU C 1 62 ? 5.320 7.099 -0.349 1.00 7.67 ? 62 LEU C O 1 ATOM 7779 C CB . LEU C 1 62 ? 6.269 8.915 -2.617 1.00 8.67 ? 62 LEU C CB 1 ATOM 7780 C CG . LEU C 1 62 ? 7.633 9.264 -2.008 1.00 7.32 ? 62 LEU C CG 1 ATOM 7781 C CD1 . LEU C 1 62 ? 8.798 8.756 -2.827 1.00 8.70 ? 62 LEU C CD1 1 ATOM 7782 C CD2 . LEU C 1 62 ? 7.721 10.777 -1.874 1.00 9.29 ? 62 LEU C CD2 1 ATOM 7783 H H . LEU C 1 62 ? 3.905 7.450 -2.373 1.00 8.60 ? 62 LEU C H 1 ATOM 7784 H HA . LEU C 1 62 ? 6.410 6.962 -3.315 1.00 8.05 ? 62 LEU C HA 1 ATOM 7785 H HB2 . LEU C 1 62 ? 6.274 9.249 -3.528 1.00 10.39 ? 62 LEU C HB2 1 ATOM 7786 H HB3 . LEU C 1 62 ? 5.600 9.398 -2.107 1.00 10.39 ? 62 LEU C HB3 1 ATOM 7787 H HG . LEU C 1 62 ? 7.694 8.877 -1.120 1.00 8.78 ? 62 LEU C HG 1 ATOM 7788 H HD11 . LEU C 1 62 ? 9.617 9.006 -2.393 1.00 10.43 ? 62 LEU C HD11 1 ATOM 7789 H HD12 . LEU C 1 62 ? 8.740 7.800 -2.892 1.00 10.43 ? 62 LEU C HD12 1 ATOM 7790 H HD13 . LEU C 1 62 ? 8.757 9.147 -3.703 1.00 10.43 ? 62 LEU C HD13 1 ATOM 7791 H HD21 . LEU C 1 62 ? 8.571 11.008 -1.493 1.00 11.13 ? 62 LEU C HD21 1 ATOM 7792 H HD22 . LEU C 1 62 ? 7.634 11.173 -2.745 1.00 11.13 ? 62 LEU C HD22 1 ATOM 7793 H HD23 . LEU C 1 62 ? 7.012 11.082 -1.303 1.00 11.13 ? 62 LEU C HD23 1 ATOM 7794 N N . VAL C 1 63 ? 7.088 5.970 -1.173 1.00 6.60 ? 63 VAL C N 1 ATOM 7795 C CA . VAL C 1 63 ? 7.528 5.414 0.097 1.00 6.81 ? 63 VAL C CA 1 ATOM 7796 C C . VAL C 1 63 ? 8.842 6.100 0.439 1.00 7.03 ? 63 VAL C C 1 ATOM 7797 O O . VAL C 1 63 ? 9.818 6.017 -0.322 1.00 7.65 ? 63 VAL C O 1 ATOM 7798 C CB . VAL C 1 63 ? 7.657 3.870 0.036 1.00 7.25 ? 63 VAL C CB 1 ATOM 7799 C CG1 . VAL C 1 63 ? 8.036 3.332 1.399 1.00 8.75 ? 63 VAL C CG1 1 ATOM 7800 C CG2 . VAL C 1 63 ? 6.390 3.234 -0.474 1.00 9.00 ? 63 VAL C CG2 1 ATOM 7801 H H . VAL C 1 63 ? 7.560 5.700 -1.840 1.00 7.91 ? 63 VAL C H 1 ATOM 7802 H HA . VAL C 1 63 ? 6.875 5.640 0.792 1.00 8.16 ? 63 VAL C HA 1 ATOM 7803 H HB . VAL C 1 63 ? 8.377 3.639 -0.586 1.00 8.69 ? 63 VAL C HB 1 ATOM 7804 H HG11 . VAL C 1 63 ? 8.113 2.377 1.347 1.00 10.48 ? 63 VAL C HG11 1 ATOM 7805 H HG12 . VAL C 1 63 ? 8.877 3.714 1.662 1.00 10.48 ? 63 VAL C HG12 1 ATOM 7806 H HG13 . VAL C 1 63 ? 7.354 3.573 2.030 1.00 10.48 ? 63 VAL C HG13 1 ATOM 7807 H HG21 . VAL C 1 63 ? 6.506 2.281 -0.498 1.00 10.79 ? 63 VAL C HG21 1 ATOM 7808 H HG22 . VAL C 1 63 ? 5.667 3.461 0.116 1.00 10.79 ? 63 VAL C HG22 1 ATOM 7809 H HG23 . VAL C 1 63 ? 6.208 3.564 -1.357 1.00 10.79 ? 63 VAL C HG23 1 ATOM 7810 N N . TYR C 1 64 ? 8.860 6.802 1.561 1.00 7.55 ? 64 TYR C N 1 ATOM 7811 C CA . TYR C 1 64 ? 9.929 7.725 1.867 1.00 8.03 ? 64 TYR C CA 1 ATOM 7812 C C . TYR C 1 64 ? 10.410 7.487 3.282 1.00 7.60 ? 64 TYR C C 1 ATOM 7813 O O . TYR C 1 64 ? 9.621 7.297 4.205 1.00 8.30 ? 64 TYR C O 1 ATOM 7814 C CB . TYR C 1 64 ? 9.418 9.164 1.715 1.00 8.32 ? 64 TYR C CB 1 ATOM 7815 C CG . TYR C 1 64 ? 10.475 10.225 1.622 1.00 8.03 ? 64 TYR C CG 1 ATOM 7816 C CD1 . TYR C 1 64 ? 11.176 10.426 0.434 1.00 10.09 ? 64 TYR C CD1 1 ATOM 7817 C CD2 . TYR C 1 64 ? 10.759 11.072 2.709 1.00 10.34 ? 64 TYR C CD2 1 ATOM 7818 C CE1 . TYR C 1 64 ? 12.170 11.374 0.345 1.00 10.97 ? 64 TYR C CE1 1 ATOM 7819 C CE2 . TYR C 1 64 ? 11.737 12.060 2.602 1.00 11.52 ? 64 TYR C CE2 1 ATOM 7820 C CZ . TYR C 1 64 ? 12.434 12.203 1.416 1.00 12.41 ? 64 TYR C CZ 1 ATOM 7821 O OH . TYR C 1 64 ? 13.393 13.198 1.234 1.00 13.54 ? 64 TYR C OH 1 ATOM 7822 H H . TYR C 1 64 ? 8.252 6.758 2.169 1.00 9.05 ? 64 TYR C H 1 ATOM 7823 H HA . TYR C 1 64 ? 10.677 7.586 1.249 1.00 9.63 ? 64 TYR C HA 1 ATOM 7824 H HB2 . TYR C 1 64 ? 8.884 9.214 0.907 1.00 9.97 ? 64 TYR C HB2 1 ATOM 7825 H HB3 . TYR C 1 64 ? 8.863 9.374 2.482 1.00 9.97 ? 64 TYR C HB3 1 ATOM 7826 H HD1 . TYR C 1 64 ? 11.014 9.866 -0.291 1.00 12.10 ? 64 TYR C HD1 1 ATOM 7827 H HD2 . TYR C 1 64 ? 10.292 10.970 3.507 1.00 12.40 ? 64 TYR C HD2 1 ATOM 7828 H HE1 . TYR C 1 64 ? 12.621 11.499 -0.459 1.00 13.16 ? 64 TYR C HE1 1 ATOM 7829 H HE2 . TYR C 1 64 ? 11.921 12.618 3.323 1.00 13.81 ? 64 TYR C HE2 1 ATOM 7830 H HH . TYR C 1 64 ? 14.007 13.097 1.768 1.00 16.23 ? 64 TYR C HH 1 ATOM 7831 N N . LYS C 1 65 ? 11.715 7.479 3.465 1.00 8.89 ? 65 LYS C N 1 ATOM 7832 C CA A LYS C 1 65 ? 12.279 7.340 4.798 0.25 8.58 ? 65 LYS C CA 1 ATOM 7833 C CA B LYS C 1 65 ? 12.331 7.320 4.780 0.75 8.83 ? 65 LYS C CA 1 ATOM 7834 C C . LYS C 1 65 ? 12.807 8.675 5.277 1.00 8.61 ? 65 LYS C C 1 ATOM 7835 O O . LYS C 1 65 ? 13.812 9.189 4.826 1.00 9.62 ? 65 LYS C O 1 ATOM 7836 C CB A LYS C 1 65 ? 13.371 6.277 4.861 0.25 10.16 ? 65 LYS C CB 1 ATOM 7837 C CB B LYS C 1 65 ? 13.512 6.351 4.658 0.75 9.67 ? 65 LYS C CB 1 ATOM 7838 C CG A LYS C 1 65 ? 13.790 6.030 6.304 0.25 8.83 ? 65 LYS C CG 1 ATOM 7839 C CG B LYS C 1 65 ? 14.086 5.990 6.013 0.75 8.97 ? 65 LYS C CG 1 ATOM 7840 C CD A LYS C 1 65 ? 14.850 4.972 6.433 0.25 10.26 ? 65 LYS C CD 1 ATOM 7841 C CD B LYS C 1 65 ? 13.239 4.909 6.628 0.75 9.64 ? 65 LYS C CD 1 ATOM 7842 C CE A LYS C 1 65 ? 15.045 4.571 7.873 0.25 10.93 ? 65 LYS C CE 1 ATOM 7843 C CE B LYS C 1 65 ? 13.626 4.628 8.052 0.75 10.77 ? 65 LYS C CE 1 ATOM 7844 N NZ A LYS C 1 65 ? 13.840 3.918 8.398 0.25 12.26 ? 65 LYS C NZ 1 ATOM 7845 N NZ B LYS C 1 65 ? 14.998 4.062 8.165 0.75 11.92 ? 65 LYS C NZ 1 ATOM 7846 H H A LYS C 1 65 ? 12.299 7.553 2.837 0.25 10.65 ? 65 LYS C H 1 ATOM 7847 H H B LYS C 1 65 ? 12.287 7.567 2.828 0.75 10.65 ? 65 LYS C H 1 ATOM 7848 H HA A LYS C 1 65 ? 11.565 7.067 5.411 0.25 10.29 ? 65 LYS C HA 1 ATOM 7849 H HA B LYS C 1 65 ? 11.680 6.955 5.415 0.75 10.58 ? 65 LYS C HA 1 ATOM 7850 H HB2 A LYS C 1 65 ? 13.034 5.446 4.492 0.25 12.18 ? 65 LYS C HB2 1 ATOM 7851 H HB2 B LYS C 1 65 ? 13.211 5.534 4.229 0.75 11.59 ? 65 LYS C HB2 1 ATOM 7852 H HB3 A LYS C 1 65 ? 14.146 6.580 4.364 0.25 12.18 ? 65 LYS C HB3 1 ATOM 7853 H HB3 B LYS C 1 65 ? 14.213 6.767 4.133 0.75 11.59 ? 65 LYS C HB3 1 ATOM 7854 H HG2 A LYS C 1 65 ? 14.143 6.854 6.676 0.25 10.59 ? 65 LYS C HG2 1 ATOM 7855 H HG2 B LYS C 1 65 ? 14.991 5.655 5.907 0.75 10.75 ? 65 LYS C HG2 1 ATOM 7856 H HG3 A LYS C 1 65 ? 13.016 5.742 6.812 0.25 10.59 ? 65 LYS C HG3 1 ATOM 7857 H HG3 B LYS C 1 65 ? 14.071 6.766 6.593 0.75 10.75 ? 65 LYS C HG3 1 ATOM 7858 H HD2 A LYS C 1 65 ? 14.582 4.186 5.931 0.25 12.30 ? 65 LYS C HD2 1 ATOM 7859 H HD2 B LYS C 1 65 ? 12.310 5.188 6.616 0.75 11.56 ? 65 LYS C HD2 1 ATOM 7860 H HD3 A LYS C 1 65 ? 15.691 5.317 6.095 0.25 12.30 ? 65 LYS C HD3 1 ATOM 7861 H HD3 B LYS C 1 65 ? 13.348 4.091 6.118 0.75 11.56 ? 65 LYS C HD3 1 ATOM 7862 H HE2 A LYS C 1 65 ? 15.784 3.945 7.936 0.25 13.10 ? 65 LYS C HE2 1 ATOM 7863 H HE2 B LYS C 1 65 ? 13.598 5.455 8.557 0.75 12.91 ? 65 LYS C HE2 1 ATOM 7864 H HE3 A LYS C 1 65 ? 15.223 5.361 8.407 0.25 13.10 ? 65 LYS C HE3 1 ATOM 7865 H HE3 B LYS C 1 65 ? 13.003 3.986 8.429 0.75 12.91 ? 65 LYS C HE3 1 ATOM 7866 H HZ1 A LYS C 1 65 ? 13.976 3.667 9.315 0.25 14.70 ? 65 LYS C HZ1 1 ATOM 7867 H HZ1 B LYS C 1 65 ? 15.054 3.236 7.679 0.75 14.29 ? 65 LYS C HZ1 1 ATOM 7868 H HZ2 A LYS C 1 65 ? 13.093 4.519 8.347 0.25 14.70 ? 65 LYS C HZ2 1 ATOM 7869 H HZ2 B LYS C 1 65 ? 15.638 4.680 7.805 0.75 14.29 ? 65 LYS C HZ2 1 ATOM 7870 H HZ3 A LYS C 1 65 ? 13.643 3.131 7.885 0.25 14.70 ? 65 LYS C HZ3 1 ATOM 7871 H HZ3 B LYS C 1 65 ? 15.209 3.896 9.087 0.75 14.29 ? 65 LYS C HZ3 1 ATOM 7872 N N . GLU C 1 66 ? 12.102 9.202 6.280 1.00 15.03 ? 66 GLU C N 1 ATOM 7873 C CA A GLU C 1 66 ? 12.297 10.524 6.824 0.75 15.54 ? 66 GLU C CA 1 ATOM 7874 C CA B GLU C 1 66 ? 12.377 10.567 6.733 0.25 15.12 ? 66 GLU C CA 1 ATOM 7875 C C . GLU C 1 66 ? 13.615 10.644 7.601 1.00 11.77 ? 66 GLU C C 1 ATOM 7876 O O . GLU C 1 66 ? 14.415 11.586 7.440 1.00 15.51 ? 66 GLU C O 1 ATOM 7877 C CB A GLU C 1 66 ? 11.123 10.811 7.797 0.75 13.15 ? 66 GLU C CB 1 ATOM 7878 C CB B GLU C 1 66 ? 11.196 11.166 7.500 0.25 17.27 ? 66 GLU C CB 1 ATOM 7879 C CG A GLU C 1 66 ? 9.688 10.714 7.208 0.75 16.13 ? 66 GLU C CG 1 ATOM 7880 C CG B GLU C 1 66 ? 9.959 11.265 6.672 0.25 17.88 ? 66 GLU C CG 1 ATOM 7881 C CD A GLU C 1 66 ? 9.378 11.796 6.139 0.75 14.84 ? 66 GLU C CD 1 ATOM 7882 C CD B GLU C 1 66 ? 9.531 9.907 6.224 0.25 17.64 ? 66 GLU C CD 1 ATOM 7883 O OE1 A GLU C 1 66 ? 10.229 12.718 5.970 0.75 15.58 ? 66 GLU C OE1 1 ATOM 7884 O OE1 B GLU C 1 66 ? 9.613 8.991 7.061 0.25 2.91 ? 66 GLU C OE1 1 ATOM 7885 O OE2 A GLU C 1 66 ? 8.302 11.737 5.447 0.75 12.79 ? 66 GLU C OE2 1 ATOM 7886 O OE2 B GLU C 1 66 ? 9.147 9.750 5.049 0.25 25.01 ? 66 GLU C OE2 1 ATOM 7887 H H A GLU C 1 66 ? 11.470 8.775 6.678 0.75 18.03 ? 66 GLU C H 1 ATOM 7888 H H B GLU C 1 66 ? 11.473 8.800 6.708 0.25 18.03 ? 66 GLU C H 1 ATOM 7889 H HA A GLU C 1 66 ? 12.287 11.190 6.104 0.75 18.64 ? 66 GLU C HA 1 ATOM 7890 H HA B GLU C 1 66 ? 12.533 11.130 5.946 0.25 18.14 ? 66 GLU C HA 1 ATOM 7891 H HB2 A GLU C 1 66 ? 11.176 10.177 8.529 0.75 15.77 ? 66 GLU C HB2 1 ATOM 7892 H HB2 B GLU C 1 66 ? 11.000 10.605 8.267 0.25 20.72 ? 66 GLU C HB2 1 ATOM 7893 H HB3 A GLU C 1 66 ? 11.231 11.710 8.144 0.75 15.77 ? 66 GLU C HB3 1 ATOM 7894 H HB3 B GLU C 1 66 ? 11.432 12.060 7.794 0.25 20.72 ? 66 GLU C HB3 1 ATOM 7895 H HG2 A GLU C 1 66 ? 9.578 9.845 6.792 0.75 19.34 ? 66 GLU C HG2 1 ATOM 7896 H HG2 B GLU C 1 66 ? 9.245 11.654 7.201 0.25 21.44 ? 66 GLU C HG2 1 ATOM 7897 H HG3 A GLU C 1 66 ? 9.047 10.817 7.929 0.75 19.34 ? 66 GLU C HG3 1 ATOM 7898 H HG3 B GLU C 1 66 ? 10.135 11.807 5.887 0.25 21.44 ? 66 GLU C HG3 1 ATOM 7899 N N . ARG C 1 67 ? 13.791 9.650 8.434 1.00 11.70 ? 67 ARG C N 1 ATOM 7900 C CA . ARG C 1 67 ? 14.879 9.535 9.377 1.00 10.20 ? 67 ARG C CA 1 ATOM 7901 C C . ARG C 1 67 ? 14.779 8.154 9.988 1.00 10.84 ? 67 ARG C C 1 ATOM 7902 O O . ARG C 1 67 ? 13.791 7.417 9.772 1.00 9.76 ? 67 ARG C O 1 ATOM 7903 C CB . ARG C 1 67 ? 14.786 10.617 10.467 1.00 12.35 ? 67 ARG C CB 1 ATOM 7904 C CG . ARG C 1 67 ? 13.453 10.623 11.174 1.00 11.94 ? 67 ARG C CG 1 ATOM 7905 C CD . ARG C 1 67 ? 13.320 11.762 12.236 1.00 17.49 ? 67 ARG C CD 1 ATOM 7906 N NE . ARG C 1 67 ? 13.479 13.071 11.626 1.00 19.80 ? 67 ARG C NE 1 ATOM 7907 C CZ . ARG C 1 67 ? 12.511 13.753 11.019 1.00 20.82 ? 67 ARG C CZ 1 ATOM 7908 N NH1 . ARG C 1 67 ? 11.292 13.272 10.920 1.00 22.55 ? 67 ARG C NH1 1 ATOM 7909 N NH2 . ARG C 1 67 ? 12.768 14.952 10.489 1.00 30.08 ? 67 ARG C NH2 1 ATOM 7910 H H . ARG C 1 67 ? 13.253 8.980 8.475 1.00 14.03 ? 67 ARG C H 1 ATOM 7911 H HA . ARG C 1 67 ? 15.738 9.619 8.913 1.00 12.22 ? 67 ARG C HA 1 ATOM 7912 H HB2 . ARG C 1 67 ? 15.476 10.458 11.129 1.00 14.81 ? 67 ARG C HB2 1 ATOM 7913 H HB3 . ARG C 1 67 ? 14.913 11.488 10.058 1.00 14.81 ? 67 ARG C HB3 1 ATOM 7914 H HG2 . ARG C 1 67 ? 12.750 10.744 10.517 1.00 14.31 ? 67 ARG C HG2 1 ATOM 7915 H HG3 . ARG C 1 67 ? 13.336 9.775 11.629 1.00 14.31 ? 67 ARG C HG3 1 ATOM 7916 H HD2 . ARG C 1 67 ? 12.441 11.720 12.643 1.00 20.98 ? 67 ARG C HD2 1 ATOM 7917 H HD3 . ARG C 1 67 ? 14.009 11.654 12.911 1.00 20.98 ? 67 ARG C HD3 1 ATOM 7918 H HE . ARG C 1 67 ? 14.359 13.478 11.663 1.00 23.75 ? 67 ARG C HE 1 ATOM 7919 H HH11 . ARG C 1 67 ? 11.105 12.502 11.254 1.00 27.05 ? 67 ARG C HH11 1 ATOM 7920 H HH12 . ARG C 1 67 ? 10.680 13.728 10.524 1.00 27.05 ? 67 ARG C HH12 1 ATOM 7921 H HH21 . ARG C 1 67 ? 13.560 15.284 10.542 1.00 36.08 ? 67 ARG C HH21 1 ATOM 7922 H HH22 . ARG C 1 67 ? 12.142 15.392 10.096 1.00 36.08 ? 67 ARG C HH22 1 ATOM 7923 N N . VAL C 1 68 ? 15.769 7.745 10.758 1.00 10.70 ? 68 VAL C N 1 ATOM 7924 C CA . VAL C 1 68 ? 15.734 6.447 11.404 1.00 10.10 ? 68 VAL C CA 1 ATOM 7925 C C . VAL C 1 68 ? 14.416 6.275 12.185 1.00 9.88 ? 68 VAL C C 1 ATOM 7926 O O . VAL C 1 68 ? 13.961 7.191 12.892 1.00 12.02 ? 68 VAL C O 1 ATOM 7927 C CB A VAL C 1 68 ? 16.988 6.234 12.294 0.75 10.59 ? 68 VAL C CB 1 ATOM 7928 C CB B VAL C 1 68 ? 16.923 6.243 12.370 0.25 12.08 ? 68 VAL C CB 1 ATOM 7929 C CG1 A VAL C 1 68 ? 16.983 7.236 13.426 0.75 14.45 ? 68 VAL C CG1 1 ATOM 7930 C CG1 B VAL C 1 68 ? 18.141 5.803 11.625 0.25 8.49 ? 68 VAL C CG1 1 ATOM 7931 C CG2 A VAL C 1 68 ? 17.002 4.879 12.896 0.75 12.82 ? 68 VAL C CG2 1 ATOM 7932 C CG2 B VAL C 1 68 ? 17.198 7.525 13.156 0.25 13.47 ? 68 VAL C CG2 1 ATOM 7933 H H . VAL C 1 68 ? 16.478 8.203 10.924 1.00 12.83 ? 68 VAL C H 1 ATOM 7934 H HA . VAL C 1 68 ? 15.755 5.756 10.710 1.00 12.11 ? 68 VAL C HA 1 ATOM 7935 H HB A VAL C 1 68 ? 17.803 6.357 11.762 0.75 12.70 ? 68 VAL C HB 1 ATOM 7936 H HB B VAL C 1 68 ? 16.693 5.539 13.012 0.25 14.48 ? 68 VAL C HB 1 ATOM 7937 H HG11 A VAL C 1 68 ? 17.762 7.097 13.969 0.75 17.33 ? 68 VAL C HG11 1 ATOM 7938 H HG11 B VAL C 1 68 ? 18.861 5.684 12.248 0.25 10.17 ? 68 VAL C HG11 1 ATOM 7939 H HG12 A VAL C 1 68 ? 16.995 8.123 13.057 0.75 17.33 ? 68 VAL C HG12 1 ATOM 7940 H HG12 B VAL C 1 68 ? 17.952 4.974 11.180 0.25 10.17 ? 68 VAL C HG12 1 ATOM 7941 H HG13 A VAL C 1 68 ? 16.189 7.110 13.951 0.75 17.33 ? 68 VAL C HG13 1 ATOM 7942 H HG13 B VAL C 1 68 ? 18.372 6.476 10.980 0.25 10.17 ? 68 VAL C HG13 1 ATOM 7943 H HG21 A VAL C 1 68 ? 17.790 4.786 13.436 0.75 15.37 ? 68 VAL C HG21 1 ATOM 7944 H HG21 B VAL C 1 68 ? 17.939 7.375 13.748 0.25 16.16 ? 68 VAL C HG21 1 ATOM 7945 H HG22 A VAL C 1 68 ? 16.218 4.770 13.438 0.75 15.37 ? 68 VAL C HG22 1 ATOM 7946 H HG22 B VAL C 1 68 ? 17.408 8.230 12.539 0.25 16.16 ? 68 VAL C HG22 1 ATOM 7947 H HG23 A VAL C 1 68 ? 17.008 4.225 12.193 0.75 15.37 ? 68 VAL C HG23 1 ATOM 7948 H HG23 B VAL C 1 68 ? 16.415 7.755 13.662 0.25 16.16 ? 68 VAL C HG23 1 ATOM 7949 N N . GLY C 1 69 ? 13.787 5.132 11.987 1.00 9.44 ? 69 GLY C N 1 ATOM 7950 C CA . GLY C 1 69 ? 12.599 4.775 12.730 1.00 10.67 ? 69 GLY C CA 1 ATOM 7951 C C . GLY C 1 69 ? 11.309 5.351 12.201 1.00 8.26 ? 69 GLY C C 1 ATOM 7952 O O . GLY C 1 69 ? 10.320 5.202 12.914 1.00 10.68 ? 69 GLY C O 1 ATOM 7953 H H . GLY C 1 69 ? 14.034 4.537 11.418 1.00 11.32 ? 69 GLY C H 1 ATOM 7954 H HA2 . GLY C 1 69 ? 12.512 3.809 12.736 1.00 12.79 ? 69 GLY C HA2 1 ATOM 7955 H HA3 . GLY C 1 69 ? 12.703 5.072 13.648 1.00 12.79 ? 69 GLY C HA3 1 ATOM 7956 N N . GLU C 1 70 ? 11.323 6.034 11.050 1.00 8.70 ? 70 GLU C N 1 ATOM 7957 C CA . GLU C 1 70 ? 10.115 6.723 10.575 1.00 8.04 ? 70 GLU C CA 1 ATOM 7958 C C . GLU C 1 70 ? 9.916 6.467 9.095 1.00 7.45 ? 70 GLU C C 1 ATOM 7959 O O . GLU C 1 70 ? 10.777 6.823 8.260 1.00 9.81 ? 70 GLU C O 1 ATOM 7960 C CB . GLU C 1 70 ? 10.227 8.227 10.801 1.00 12.15 ? 70 GLU C CB 1 ATOM 7961 C CG . GLU C 1 70 ? 10.303 8.579 12.291 1.00 17.90 ? 70 GLU C CG 1 ATOM 7962 C CD . GLU C 1 70 ? 10.180 10.100 12.555 1.00 20.13 ? 70 GLU C CD 1 ATOM 7963 O OE1 . GLU C 1 70 ? 10.298 10.526 13.731 1.00 25.87 ? 70 GLU C OE1 1 ATOM 7964 O OE2 . GLU C 1 70 ? 9.969 10.839 11.600 1.00 18.13 ? 70 GLU C OE2 1 ATOM 7965 H H . GLU C 1 70 ? 12.006 6.113 10.533 1.00 10.43 ? 70 GLU C H 1 ATOM 7966 H HA . GLU C 1 70 ? 9.332 6.389 11.060 1.00 9.63 ? 70 GLU C HA 1 ATOM 7967 H HB2 . GLU C 1 70 ? 11.032 8.555 10.371 1.00 14.56 ? 70 GLU C HB2 1 ATOM 7968 H HB3 . GLU C 1 70 ? 9.446 8.664 10.427 1.00 14.56 ? 70 GLU C HB3 1 ATOM 7969 H HG2 . GLU C 1 70 ? 9.579 8.134 12.758 1.00 21.47 ? 70 GLU C HG2 1 ATOM 7970 H HG3 . GLU C 1 70 ? 11.157 8.281 12.643 1.00 21.47 ? 70 GLU C HG3 1 ATOM 7971 N N . TYR C 1 71 ? 8.772 5.885 8.774 1.00 6.26 ? 71 TYR C N 1 ATOM 7972 C CA . TYR C 1 71 ? 8.419 5.537 7.402 1.00 6.43 ? 71 TYR C CA 1 ATOM 7973 C C . TYR C 1 71 ? 7.181 6.299 6.972 1.00 7.72 ? 71 TYR C C 1 ATOM 7974 O O . TYR C 1 71 ? 6.196 6.359 7.704 1.00 7.72 ? 71 TYR C O 1 ATOM 7975 C CB . TYR C 1 71 ? 8.140 4.017 7.314 1.00 7.96 ? 71 TYR C CB 1 ATOM 7976 C CG . TYR C 1 71 ? 9.375 3.191 7.536 1.00 8.25 ? 71 TYR C CG 1 ATOM 7977 C CD1 . TYR C 1 71 ? 9.797 2.857 8.807 1.00 8.16 ? 71 TYR C CD1 1 ATOM 7978 C CD2 . TYR C 1 71 ? 10.117 2.787 6.467 1.00 9.83 ? 71 TYR C CD2 1 ATOM 7979 C CE1 . TYR C 1 71 ? 10.933 2.127 9.012 1.00 7.75 ? 71 TYR C CE1 1 ATOM 7980 C CE2 . TYR C 1 71 ? 11.289 2.060 6.656 1.00 10.62 ? 71 TYR C CE2 1 ATOM 7981 C CZ . TYR C 1 71 ? 11.677 1.749 7.927 1.00 9.00 ? 71 TYR C CZ 1 ATOM 7982 O OH . TYR C 1 71 ? 12.864 1.006 8.087 1.00 12.33 ? 71 TYR C OH 1 ATOM 7983 H H . TYR C 1 71 ? 8.166 5.675 9.347 1.00 7.50 ? 71 TYR C H 1 ATOM 7984 H HA . TYR C 1 71 ? 9.158 5.761 6.799 1.00 7.70 ? 71 TYR C HA 1 ATOM 7985 H HB2 . TYR C 1 71 ? 7.490 3.775 7.992 1.00 9.54 ? 71 TYR C HB2 1 ATOM 7986 H HB3 . TYR C 1 71 ? 7.794 3.809 6.432 1.00 9.54 ? 71 TYR C HB3 1 ATOM 7987 H HD1 . TYR C 1 71 ? 9.295 3.132 9.540 1.00 9.78 ? 71 TYR C HD1 1 ATOM 7988 H HD2 . TYR C 1 71 ? 9.854 3.023 5.607 1.00 11.78 ? 71 TYR C HD2 1 ATOM 7989 H HE1 . TYR C 1 71 ? 11.210 1.914 9.874 1.00 9.29 ? 71 TYR C HE1 1 ATOM 7990 H HE2 . TYR C 1 71 ? 11.798 1.788 5.927 1.00 12.73 ? 71 TYR C HE2 1 ATOM 7991 H HH . TYR C 1 71 ? 13.499 1.423 7.779 1.00 14.78 ? 71 TYR C HH 1 ATOM 7992 N N . SER C 1 72 ? 7.237 6.896 5.787 1.00 6.90 ? 72 SER C N 1 ATOM 7993 C CA . SER C 1 72 ? 6.091 7.617 5.245 1.00 7.82 ? 72 SER C CA 1 ATOM 7994 C C . SER C 1 72 ? 5.599 7.057 3.915 1.00 6.93 ? 72 SER C C 1 ATOM 7995 O O . SER C 1 72 ? 6.392 6.551 3.116 1.00 7.31 ? 72 SER C O 1 ATOM 7996 C CB . SER C 1 72 ? 6.449 9.068 4.978 1.00 9.14 ? 72 SER C CB 1 ATOM 7997 O OG . SER C 1 72 ? 6.785 9.744 6.188 1.00 11.04 ? 72 SER C OG 1 ATOM 7998 H H . SER C 1 72 ? 7.929 6.899 5.276 1.00 8.27 ? 72 SER C H 1 ATOM 7999 H HA . SER C 1 72 ? 5.352 7.590 5.888 1.00 9.38 ? 72 SER C HA 1 ATOM 8000 H HB2 . SER C 1 72 ? 7.211 9.099 4.378 1.00 10.95 ? 72 SER C HB2 1 ATOM 8001 H HB3 . SER C 1 72 ? 5.688 9.510 4.571 1.00 10.95 ? 72 SER C HB3 1 ATOM 8002 H HG . SER C 1 72 ? 6.976 10.526 6.029 1.00 13.23 ? 72 SER C HG 1 ATOM 8003 N N . LEU C 1 73 ? 4.284 7.099 3.744 1.00 6.12 ? 73 LEU C N 1 ATOM 8004 C CA . LEU C 1 73 ? 3.632 6.770 2.510 1.00 5.91 ? 73 LEU C CA 1 ATOM 8005 C C . LEU C 1 73 ? 2.888 8.020 2.060 1.00 8.12 ? 73 LEU C C 1 ATOM 8006 O O . LEU C 1 73 ? 2.109 8.602 2.815 1.00 8.21 ? 73 LEU C O 1 ATOM 8007 C CB . LEU C 1 73 ? 2.619 5.651 2.704 1.00 5.99 ? 73 LEU C CB 1 ATOM 8008 C CG . LEU C 1 73 ? 1.781 5.338 1.452 1.00 6.88 ? 73 LEU C CG 1 ATOM 8009 C CD1 . LEU C 1 73 ? 2.596 4.721 0.345 1.00 8.43 ? 73 LEU C CD1 1 ATOM 8010 C CD2 . LEU C 1 73 ? 0.603 4.404 1.795 1.00 9.61 ? 73 LEU C CD2 1 ATOM 8011 H H . LEU C 1 73 ? 3.734 7.326 4.365 1.00 7.33 ? 73 LEU C H 1 ATOM 8012 H HA . LEU C 1 73 ? 4.287 6.511 1.828 1.00 7.08 ? 73 LEU C HA 1 ATOM 8013 H HB2 . LEU C 1 73 ? 3.092 4.842 2.953 1.00 7.18 ? 73 LEU C HB2 1 ATOM 8014 H HB3 . LEU C 1 73 ? 2.007 5.905 3.412 1.00 7.18 ? 73 LEU C HB3 1 ATOM 8015 H HG . LEU C 1 73 ? 1.408 6.167 1.114 1.00 8.25 ? 73 LEU C HG 1 ATOM 8016 H HD11 . LEU C 1 73 ? 2.022 4.548 -0.405 1.00 10.10 ? 73 LEU C HD11 1 ATOM 8017 H HD12 . LEU C 1 73 ? 3.291 5.332 0.093 1.00 10.10 ? 73 LEU C HD12 1 ATOM 8018 H HD13 . LEU C 1 73 ? 2.979 3.900 0.661 1.00 10.10 ? 73 LEU C HD13 1 ATOM 8019 H HD21 . LEU C 1 73 ? 0.101 4.228 0.996 1.00 11.52 ? 73 LEU C HD21 1 ATOM 8020 H HD22 . LEU C 1 73 ? 0.950 3.583 2.153 1.00 11.52 ? 73 LEU C HD22 1 ATOM 8021 H HD23 . LEU C 1 73 ? 0.043 4.835 2.446 1.00 11.52 ? 73 LEU C HD23 1 ATOM 8022 N N . TYR C 1 74 ? 3.130 8.409 0.824 1.00 6.66 ? 74 TYR C N 1 ATOM 8023 C CA . TYR C 1 74 ? 2.345 9.441 0.160 1.00 7.15 ? 74 TYR C CA 1 ATOM 8024 C C . TYR C 1 74 ? 1.393 8.809 -0.834 1.00 7.10 ? 74 TYR C C 1 ATOM 8025 O O . TYR C 1 74 ? 1.806 7.932 -1.615 1.00 8.64 ? 74 TYR C O 1 ATOM 8026 C CB . TYR C 1 74 ? 3.254 10.388 -0.622 1.00 7.34 ? 74 TYR C CB 1 ATOM 8027 C CG . TYR C 1 74 ? 4.166 11.273 0.199 1.00 8.00 ? 74 TYR C CG 1 ATOM 8028 C CD1 . TYR C 1 74 ? 5.236 10.754 0.932 1.00 9.24 ? 74 TYR C CD1 1 ATOM 8029 C CD2 . TYR C 1 74 ? 3.985 12.662 0.195 1.00 11.58 ? 74 TYR C CD2 1 ATOM 8030 C CE1 . TYR C 1 74 ? 6.072 11.578 1.669 1.00 11.12 ? 74 TYR C CE1 1 ATOM 8031 C CE2 . TYR C 1 74 ? 4.834 13.481 0.919 1.00 10.87 ? 74 TYR C CE2 1 ATOM 8032 C CZ . TYR C 1 74 ? 5.856 12.947 1.646 1.00 13.52 ? 74 TYR C CZ 1 ATOM 8033 O OH . TYR C 1 74 ? 6.674 13.840 2.340 1.00 17.54 ? 74 TYR C OH 1 ATOM 8034 H H . TYR C 1 74 ? 3.757 8.085 0.334 1.00 7.98 ? 74 TYR C H 1 ATOM 8035 H HA . TYR C 1 74 ? 1.832 9.954 0.818 1.00 8.56 ? 74 TYR C HA 1 ATOM 8036 H HB2 . TYR C 1 74 ? 3.818 9.856 -1.205 1.00 8.79 ? 74 TYR C HB2 1 ATOM 8037 H HB3 . TYR C 1 74 ? 2.695 10.971 -1.160 1.00 8.79 ? 74 TYR C HB3 1 ATOM 8038 H HD1 . TYR C 1 74 ? 5.375 9.834 0.946 1.00 11.08 ? 74 TYR C HD1 1 ATOM 8039 H HD2 . TYR C 1 74 ? 3.291 13.037 -0.298 1.00 13.88 ? 74 TYR C HD2 1 ATOM 8040 H HE1 . TYR C 1 74 ? 6.778 11.220 2.158 1.00 13.33 ? 74 TYR C HE1 1 ATOM 8041 H HE2 . TYR C 1 74 ? 4.701 14.402 0.916 1.00 13.04 ? 74 TYR C HE2 1 ATOM 8042 H HH . TYR C 1 74 ? 6.230 14.260 2.886 1.00 21.03 ? 74 TYR C HH 1 ATOM 8043 N N . ILE C 1 75 ? 0.167 9.300 -0.847 1.00 8.57 ? 75 ILE C N 1 ATOM 8044 C CA . ILE C 1 75 ? -0.845 8.936 -1.831 1.00 7.91 ? 75 ILE C CA 1 ATOM 8045 C C . ILE C 1 75 ? -1.374 10.267 -2.389 1.00 9.73 ? 75 ILE C C 1 ATOM 8046 O O . ILE C 1 75 ? -1.960 11.062 -1.671 1.00 8.69 ? 75 ILE C O 1 ATOM 8047 C CB . ILE C 1 75 ? -1.983 8.132 -1.220 1.00 7.84 ? 75 ILE C CB 1 ATOM 8048 C CG1 . ILE C 1 75 ? -1.492 6.778 -0.654 1.00 8.62 ? 75 ILE C CG1 1 ATOM 8049 C CG2 . ILE C 1 75 ? -3.130 7.920 -2.260 1.00 10.83 ? 75 ILE C CG2 1 ATOM 8050 C CD1 . ILE C 1 75 ? -1.050 5.774 -1.692 1.00 11.19 ? 75 ILE C CD1 1 ATOM 8051 H H . ILE C 1 75 ? -0.117 9.871 -0.270 1.00 10.27 ? 75 ILE C H 1 ATOM 8052 H HA . ILE C 1 75 ? -0.440 8.420 -2.558 1.00 9.49 ? 75 ILE C HA 1 ATOM 8053 H HB . ILE C 1 75 ? -2.346 8.647 -0.482 1.00 9.40 ? 75 ILE C HB 1 ATOM 8054 H HG12 . ILE C 1 75 ? -0.737 6.944 -0.068 1.00 10.33 ? 75 ILE C HG12 1 ATOM 8055 H HG13 . ILE C 1 75 ? -2.214 6.375 -0.147 1.00 10.33 ? 75 ILE C HG13 1 ATOM 8056 H HG21 . ILE C 1 75 ? -3.833 7.411 -1.850 1.00 12.99 ? 75 ILE C HG21 1 ATOM 8057 H HG22 . ILE C 1 75 ? -3.463 8.776 -2.537 1.00 12.99 ? 75 ILE C HG22 1 ATOM 8058 H HG23 . ILE C 1 75 ? -2.780 7.444 -3.018 1.00 12.99 ? 75 ILE C HG23 1 ATOM 8059 H HD11 . ILE C 1 75 ? -0.765 4.972 -1.249 1.00 13.42 ? 75 ILE C HD11 1 ATOM 8060 H HD12 . ILE C 1 75 ? -1.789 5.583 -2.274 1.00 13.42 ? 75 ILE C HD12 1 ATOM 8061 H HD13 . ILE C 1 75 ? -0.323 6.147 -2.196 1.00 13.42 ? 75 ILE C HD13 1 ATOM 8062 N N . GLY C 1 76 ? -1.149 10.519 -3.665 1.00 9.90 ? 76 GLY C N 1 ATOM 8063 C CA . GLY C 1 76 ? -1.662 11.740 -4.286 1.00 9.08 ? 76 GLY C CA 1 ATOM 8064 C C . GLY C 1 76 ? -1.274 12.984 -3.520 1.00 9.92 ? 76 GLY C C 1 ATOM 8065 O O . GLY C 1 76 ? -2.144 13.824 -3.250 1.00 11.31 ? 76 GLY C O 1 ATOM 8066 H H . GLY C 1 76 ? -0.706 10.007 -4.196 1.00 11.87 ? 76 GLY C H 1 ATOM 8067 H HA2 . GLY C 1 76 ? -1.315 11.814 -5.189 1.00 10.89 ? 76 GLY C HA2 1 ATOM 8068 H HA3 . GLY C 1 76 ? -2.630 11.696 -4.331 1.00 10.89 ? 76 GLY C HA3 1 ATOM 8069 N N . ARG C 1 77 ? -0.012 13.037 -3.120 1.00 9.81 ? 77 ARG C N 1 ATOM 8070 C CA . ARG C 1 77 ? 0.656 14.144 -2.397 1.00 10.62 ? 77 ARG C CA 1 ATOM 8071 C C . ARG C 1 77 ? 0.401 14.248 -0.910 1.00 8.68 ? 77 ARG C C 1 ATOM 8072 O O . ARG C 1 77 ? 1.160 14.917 -0.238 1.00 11.31 ? 77 ARG C O 1 ATOM 8073 C CB . ARG C 1 77 ? 0.395 15.523 -3.008 1.00 13.21 ? 77 ARG C CB 1 ATOM 8074 C CG . ARG C 1 77 ? 0.748 15.542 -4.473 1.00 15.95 ? 77 ARG C CG 1 ATOM 8075 C CD . ARG C 1 77 ? 0.913 16.908 -4.991 1.00 14.90 ? 77 ARG C CD 1 ATOM 8076 N NE . ARG C 1 77 ? 1.884 17.687 -4.269 1.00 14.07 ? 77 ARG C NE 1 ATOM 8077 C CZ . ARG C 1 77 ? 3.186 17.627 -4.444 1.00 13.42 ? 77 ARG C CZ 1 ATOM 8078 N NH1 . ARG C 1 77 ? 3.977 18.406 -3.715 1.00 16.60 ? 77 ARG C NH1 1 ATOM 8079 N NH2 . ARG C 1 77 ? 3.717 16.755 -5.305 1.00 15.47 ? 77 ARG C NH2 1 ATOM 8080 H H . ARG C 1 77 ? 0.533 12.388 -3.266 1.00 11.76 ? 77 ARG C H 1 ATOM 8081 H HA . ARG C 1 77 ? 1.620 13.992 -2.488 1.00 12.73 ? 77 ARG C HA 1 ATOM 8082 H HB2 . ARG C 1 77 ? -0.545 15.742 -2.918 1.00 15.84 ? 77 ARG C HB2 1 ATOM 8083 H HB3 . ARG C 1 77 ? 0.941 16.184 -2.554 1.00 15.84 ? 77 ARG C HB3 1 ATOM 8084 H HG2 . ARG C 1 77 ? 1.584 15.068 -4.604 1.00 19.13 ? 77 ARG C HG2 1 ATOM 8085 H HG3 . ARG C 1 77 ? 0.039 15.113 -4.976 1.00 19.13 ? 77 ARG C HG3 1 ATOM 8086 H HD2 . ARG C 1 77 ? 1.200 16.859 -5.916 1.00 17.87 ? 77 ARG C HD2 1 ATOM 8087 H HD3 . ARG C 1 77 ? 0.061 17.368 -4.934 1.00 17.87 ? 77 ARG C HD3 1 ATOM 8088 H HE . ARG C 1 77 ? 1.551 18.306 -3.599 1.00 16.87 ? 77 ARG C HE 1 ATOM 8089 H HH11 . ARG C 1 77 ? 3.636 18.960 -3.153 1.00 19.91 ? 77 ARG C HH11 1 ATOM 8090 H HH12 . ARG C 1 77 ? 4.831 18.364 -3.813 1.00 19.91 ? 77 ARG C HH12 1 ATOM 8091 H HH21 . ARG C 1 77 ? 3.205 16.249 -5.775 1.00 18.55 ? 77 ARG C HH21 1 ATOM 8092 H HH22 . ARG C 1 77 ? 4.570 16.717 -5.406 1.00 18.55 ? 77 ARG C HH22 1 ATOM 8093 N N . HIS C 1 78 ? -0.614 13.567 -0.409 1.00 8.70 ? 78 HIS C N 1 ATOM 8094 C CA . HIS C 1 78 ? -0.903 13.555 1.025 1.00 8.05 ? 78 HIS C CA 1 ATOM 8095 C C . HIS C 1 78 ? -0.060 12.448 1.632 1.00 9.01 ? 78 HIS C C 1 ATOM 8096 O O . HIS C 1 78 ? 0.279 11.482 0.955 1.00 9.44 ? 78 HIS C O 1 ATOM 8097 C CB . HIS C 1 78 ? -2.397 13.340 1.254 1.00 7.76 ? 78 HIS C CB 1 ATOM 8098 C CG . HIS C 1 78 ? -3.220 14.507 0.823 1.00 10.18 ? 78 HIS C CG 1 ATOM 8099 N ND1 . HIS C 1 78 ? -3.839 15.338 1.734 1.00 14.02 ? 78 HIS C ND1 1 ATOM 8100 C CD2 . HIS C 1 78 ? -3.415 15.059 -0.400 1.00 12.08 ? 78 HIS C CD2 1 ATOM 8101 C CE1 . HIS C 1 78 ? -4.449 16.316 1.077 1.00 14.10 ? 78 HIS C CE1 1 ATOM 8102 N NE2 . HIS C 1 78 ? -4.208 16.167 -0.214 1.00 12.25 ? 78 HIS C NE2 1 ATOM 8103 H H . HIS C 1 78 ? -1.160 13.097 -0.879 1.00 10.42 ? 78 HIS C H 1 ATOM 8104 H HA . HIS C 1 78 ? -0.640 14.410 1.426 1.00 9.64 ? 78 HIS C HA 1 ATOM 8105 H HB2 . HIS C 1 78 ? -2.686 12.565 0.746 1.00 9.30 ? 78 HIS C HB2 1 ATOM 8106 H HB3 . HIS C 1 78 ? -2.555 13.195 2.200 1.00 9.30 ? 78 HIS C HB3 1 ATOM 8107 H HD2 . HIS C 1 78 ? -3.109 14.727 -1.213 1.00 14.48 ? 78 HIS C HD2 1 ATOM 8108 H HE1 . HIS C 1 78 ? -4.960 16.992 1.460 1.00 16.91 ? 78 HIS C HE1 1 ATOM 8109 H HE2 . HIS C 1 78 ? -4.499 16.682 -0.838 1.00 14.69 ? 78 HIS C HE2 1 ATOM 8110 N N . LYS C 1 79 ? 0.258 12.569 2.910 1.00 8.42 ? 79 LYS C N 1 ATOM 8111 C CA . LYS C 1 79 ? 1.110 11.567 3.531 1.00 8.73 ? 79 LYS C CA 1 ATOM 8112 C C . LYS C 1 79 ? 0.627 11.102 4.880 1.00 8.19 ? 79 LYS C C 1 ATOM 8113 O O . LYS C 1 79 ? -0.134 11.789 5.602 1.00 9.19 ? 79 LYS C O 1 ATOM 8114 C CB . LYS C 1 79 ? 2.538 12.071 3.641 1.00 12.21 ? 79 LYS C CB 1 ATOM 8115 C CG . LYS C 1 79 ? 2.707 13.134 4.712 1.00 11.27 ? 79 LYS C CG 1 ATOM 8116 C CD . LYS C 1 79 ? 4.027 13.828 4.692 1.00 17.11 ? 79 LYS C CD 1 ATOM 8117 C CE . LYS C 1 79 ? 5.114 12.905 5.082 1.00 17.39 ? 79 LYS C CE 1 ATOM 8118 N NZ . LYS C 1 79 ? 6.418 13.616 5.073 1.00 22.75 ? 79 LYS C NZ 1 ATOM 8119 H H . LYS C 1 79 ? 0.002 13.204 3.430 1.00 10.10 ? 79 LYS C H 1 ATOM 8120 H HA . LYS C 1 79 ? 1.127 10.780 2.946 1.00 10.47 ? 79 LYS C HA 1 ATOM 8121 H HB2 . LYS C 1 79 ? 3.120 11.326 3.863 1.00 14.64 ? 79 LYS C HB2 1 ATOM 8122 H HB3 . LYS C 1 79 ? 2.804 12.456 2.791 1.00 14.64 ? 79 LYS C HB3 1 ATOM 8123 H HG2 . LYS C 1 79 ? 2.019 13.807 4.592 1.00 13.52 ? 79 LYS C HG2 1 ATOM 8124 H HG3 . LYS C 1 79 ? 2.607 12.717 5.582 1.00 13.52 ? 79 LYS C HG3 1 ATOM 8125 H HD2 . LYS C 1 79 ? 4.207 14.152 3.796 1.00 20.52 ? 79 LYS C HD2 1 ATOM 8126 H HD3 . LYS C 1 79 ? 4.013 14.566 5.321 1.00 20.52 ? 79 LYS C HD3 1 ATOM 8127 H HE2 . LYS C 1 79 ? 4.951 12.572 5.978 1.00 20.85 ? 79 LYS C HE2 1 ATOM 8128 H HE3 . LYS C 1 79 ? 5.159 12.172 4.449 1.00 20.85 ? 79 LYS C HE3 1 ATOM 8129 H HZ1 . LYS C 1 79 ? 7.122 13.014 5.327 1.00 27.29 ? 79 LYS C HZ1 1 ATOM 8130 H HZ2 . LYS C 1 79 ? 6.601 13.956 4.194 1.00 27.29 ? 79 LYS C HZ2 1 ATOM 8131 H HZ3 . LYS C 1 79 ? 6.397 14.349 5.693 1.00 27.29 ? 79 LYS C HZ3 1 ATOM 8132 N N . VAL C 1 80 ? 1.135 9.932 5.246 1.00 7.33 ? 80 VAL C N 1 ATOM 8133 C CA . VAL C 1 80 ? 1.052 9.423 6.604 1.00 5.88 ? 80 VAL C CA 1 ATOM 8134 C C . VAL C 1 80 ? 2.444 8.949 6.996 1.00 7.27 ? 80 VAL C C 1 ATOM 8135 O O . VAL C 1 80 ? 3.232 8.596 6.121 1.00 8.86 ? 80 VAL C O 1 ATOM 8136 C CB . VAL C 1 80 ? 0.061 8.281 6.799 1.00 7.68 ? 80 VAL C CB 1 ATOM 8137 C CG1 . VAL C 1 80 ? -1.378 8.823 6.617 1.00 9.80 ? 80 VAL C CG1 1 ATOM 8138 C CG2 . VAL C 1 80 ? 0.347 7.120 5.859 1.00 8.46 ? 80 VAL C CG2 1 ATOM 8139 H H . VAL C 1 80 ? 1.543 9.401 4.708 1.00 8.78 ? 80 VAL C H 1 ATOM 8140 H HA . VAL C 1 80 ? 0.797 10.154 7.206 1.00 7.05 ? 80 VAL C HA 1 ATOM 8141 H HB . VAL C 1 80 ? 0.140 7.949 7.717 1.00 9.21 ? 80 VAL C HB 1 ATOM 8142 H HG11 . VAL C 1 80 ? -2.000 8.103 6.740 1.00 11.75 ? 80 VAL C HG11 1 ATOM 8143 H HG12 . VAL C 1 80 ? -1.537 9.510 7.269 1.00 11.75 ? 80 VAL C HG12 1 ATOM 8144 H HG13 . VAL C 1 80 ? -1.465 9.185 5.732 1.00 11.75 ? 80 VAL C HG13 1 ATOM 8145 H HG21 . VAL C 1 80 ? -0.297 6.426 6.015 1.00 10.15 ? 80 VAL C HG21 1 ATOM 8146 H HG22 . VAL C 1 80 ? 0.284 7.429 4.952 1.00 10.15 ? 80 VAL C HG22 1 ATOM 8147 H HG23 . VAL C 1 80 ? 1.232 6.790 6.032 1.00 10.15 ? 80 VAL C HG23 1 ATOM 8148 N N . THR C 1 81 ? 2.736 8.950 8.292 1.00 7.56 ? 81 THR C N 1 ATOM 8149 C CA . THR C 1 81 ? 4.041 8.524 8.794 1.00 6.04 ? 81 THR C CA 1 ATOM 8150 C C . THR C 1 81 ? 3.817 7.649 10.025 1.00 6.37 ? 81 THR C C 1 ATOM 8151 O O . THR C 1 81 ? 3.036 8.019 10.894 1.00 8.05 ? 81 THR C O 1 ATOM 8152 C CB . THR C 1 81 ? 4.903 9.737 9.196 1.00 7.93 ? 81 THR C CB 1 ATOM 8153 O OG1 . THR C 1 81 ? 5.054 10.634 8.081 1.00 11.25 ? 81 THR C OG1 1 ATOM 8154 C CG2 . THR C 1 81 ? 6.267 9.283 9.691 1.00 7.81 ? 81 THR C CG2 1 ATOM 8155 H H . THR C 1 81 ? 2.190 9.196 8.909 1.00 9.06 ? 81 THR C H 1 ATOM 8156 H HA . THR C 1 81 ? 4.514 8.004 8.111 1.00 7.24 ? 81 THR C HA 1 ATOM 8157 H HB . THR C 1 81 ? 4.464 10.208 9.922 1.00 9.50 ? 81 THR C HB 1 ATOM 8158 H HG1 . THR C 1 81 ? 5.418 10.247 7.456 1.00 13.49 ? 81 THR C HG1 1 ATOM 8159 H HG21 . THR C 1 81 ? 6.795 10.045 9.939 1.00 9.36 ? 81 THR C HG21 1 ATOM 8160 H HG22 . THR C 1 81 ? 6.164 8.712 10.456 1.00 9.36 ? 81 THR C HG22 1 ATOM 8161 H HG23 . THR C 1 81 ? 6.722 8.799 8.999 1.00 9.36 ? 81 THR C HG23 1 ATOM 8162 N N . SER C 1 82 ? 4.509 6.512 10.097 1.00 7.33 ? 82 SER C N 1 ATOM 8163 C CA . SER C 1 82 ? 4.454 5.682 11.309 1.00 7.50 ? 82 SER C CA 1 ATOM 8164 C C . SER C 1 82 ? 5.871 5.348 11.766 1.00 7.81 ? 82 SER C C 1 ATOM 8165 O O . SER C 1 82 ? 6.827 5.323 10.980 1.00 8.51 ? 82 SER C O 1 ATOM 8166 C CB . SER C 1 82 ? 3.581 4.447 11.121 1.00 13.29 ? 82 SER C CB 1 ATOM 8167 O OG . SER C 1 82 ? 2.186 4.854 11.204 1.00 11.97 ? 82 SER C OG 1 ATOM 8168 H H . SER C 1 82 ? 5.010 6.200 9.471 1.00 8.79 ? 82 SER C H 1 ATOM 8169 H HA . SER C 1 82 ? 4.043 6.215 12.022 1.00 8.99 ? 82 SER C HA 1 ATOM 8170 H HB2 . SER C 1 82 ? 3.753 4.059 10.249 1.00 15.94 ? 82 SER C HB2 1 ATOM 8171 H HB3 . SER C 1 82 ? 3.772 3.805 11.822 1.00 15.94 ? 82 SER C HB3 1 ATOM 8172 H HG . SER C 1 82 ? 1.697 4.202 11.105 1.00 14.36 ? 82 SER C HG 1 ATOM 8173 N N . LYS C 1 83 ? 5.994 5.117 13.064 1.00 8.02 ? 83 LYS C N 1 ATOM 8174 C CA . LYS C 1 83 ? 7.289 4.953 13.728 1.00 6.62 ? 83 LYS C CA 1 ATOM 8175 C C . LYS C 1 83 ? 7.512 3.513 14.169 1.00 7.50 ? 83 LYS C C 1 ATOM 8176 O O . LYS C 1 83 ? 6.558 2.756 14.439 1.00 7.54 ? 83 LYS C O 1 ATOM 8177 C CB . LYS C 1 83 ? 7.359 5.865 14.962 1.00 8.63 ? 83 LYS C CB 1 ATOM 8178 C CG . LYS C 1 83 ? 7.246 7.346 14.629 1.00 11.69 ? 83 LYS C CG 1 ATOM 8179 C CD . LYS C 1 83 ? 7.302 8.256 15.846 1.00 15.10 ? 83 LYS C CD 1 ATOM 8180 C CE . LYS C 1 83 ? 7.411 9.688 15.303 1.00 25.40 ? 83 LYS C CE 1 ATOM 8181 N NZ . LYS C 1 83 ? 7.883 10.699 16.294 1.00 24.73 ? 83 LYS C NZ 1 ATOM 8182 H H . LYS C 1 83 ? 5.326 5.048 13.601 1.00 9.62 ? 83 LYS C H 1 ATOM 8183 H HA . LYS C 1 83 ? 8.008 5.205 13.111 1.00 7.94 ? 83 LYS C HA 1 ATOM 8184 H HB2 . LYS C 1 83 ? 6.631 5.639 15.561 1.00 10.34 ? 83 LYS C HB2 1 ATOM 8185 H HB3 . LYS C 1 83 ? 8.209 5.725 15.408 1.00 10.34 ? 83 LYS C HB3 1 ATOM 8186 H HG2 . LYS C 1 83 ? 7.978 7.591 14.042 1.00 14.01 ? 83 LYS C HG2 1 ATOM 8187 H HG3 . LYS C 1 83 ? 6.399 7.502 14.182 1.00 14.01 ? 83 LYS C HG3 1 ATOM 8188 H HD2 . LYS C 1 83 ? 6.489 8.172 16.368 1.00 18.11 ? 83 LYS C HD2 1 ATOM 8189 H HD3 . LYS C 1 83 ? 8.087 8.055 16.381 1.00 18.11 ? 83 LYS C HD3 1 ATOM 8190 H HE2 . LYS C 1 83 ? 8.037 9.690 14.561 1.00 30.47 ? 83 LYS C HE2 1 ATOM 8191 H HE3 . LYS C 1 83 ? 6.536 9.968 14.992 1.00 30.47 ? 83 LYS C HE3 1 ATOM 8192 H HZ1 . LYS C 1 83 ? 8.757 10.462 16.614 1.00 29.66 ? 83 LYS C HZ1 1 ATOM 8193 H HZ2 . LYS C 1 83 ? 7.926 11.566 15.884 1.00 29.66 ? 83 LYS C HZ2 1 ATOM 8194 H HZ3 . LYS C 1 83 ? 7.278 10.736 17.038 1.00 29.66 ? 83 LYS C HZ3 1 ATOM 8195 N N . VAL C 1 84 ? 8.789 3.166 14.325 1.00 8.11 ? 84 VAL C N 1 ATOM 8196 C CA . VAL C 1 84 ? 9.166 1.830 14.736 1.00 7.28 ? 84 VAL C CA 1 ATOM 8197 C C . VAL C 1 84 ? 10.532 1.897 15.393 1.00 7.88 ? 84 VAL C C 1 ATOM 8198 O O . VAL C 1 84 ? 11.355 2.744 15.067 1.00 9.75 ? 84 VAL C O 1 ATOM 8199 C CB . VAL C 1 84 ? 9.208 0.872 13.506 1.00 9.04 ? 84 VAL C CB 1 ATOM 8200 C CG1 . VAL C 1 84 ? 10.295 1.256 12.530 1.00 12.18 ? 84 VAL C CG1 1 ATOM 8201 C CG2 . VAL C 1 84 ? 9.405 -0.598 13.928 1.00 11.36 ? 84 VAL C CG2 1 ATOM 8202 H H . VAL C 1 84 ? 9.455 3.694 14.195 1.00 9.72 ? 84 VAL C H 1 ATOM 8203 H HA . VAL C 1 84 ? 8.518 1.486 15.386 1.00 8.73 ? 84 VAL C HA 1 ATOM 8204 H HB . VAL C 1 84 ? 8.351 0.932 13.034 1.00 10.83 ? 84 VAL C HB 1 ATOM 8205 H HG11 . VAL C 1 84 ? 10.283 0.642 11.792 1.00 14.60 ? 84 VAL C HG11 1 ATOM 8206 H HG12 . VAL C 1 84 ? 10.130 2.149 12.215 1.00 14.60 ? 84 VAL C HG12 1 ATOM 8207 H HG13 . VAL C 1 84 ? 11.144 1.217 12.976 1.00 14.60 ? 84 VAL C HG13 1 ATOM 8208 H HG21 . VAL C 1 84 ? 9.425 -1.149 13.141 1.00 13.62 ? 84 VAL C HG21 1 ATOM 8209 H HG22 . VAL C 1 84 ? 10.235 -0.678 14.404 1.00 13.62 ? 84 VAL C HG22 1 ATOM 8210 H HG23 . VAL C 1 84 ? 8.676 -0.861 14.494 1.00 13.62 ? 84 VAL C HG23 1 ATOM 8211 N N . ILE C 1 85 ? 10.755 0.981 16.312 1.00 9.91 ? 85 ILE C N 1 ATOM 8212 C CA . ILE C 1 85 ? 12.072 0.770 16.902 1.00 9.73 ? 85 ILE C CA 1 ATOM 8213 C C . ILE C 1 85 ? 12.887 -0.080 15.949 1.00 8.34 ? 85 ILE C C 1 ATOM 8214 O O . ILE C 1 85 ? 12.475 -1.178 15.562 1.00 11.14 ? 85 ILE C O 1 ATOM 8215 C CB . ILE C 1 85 ? 11.934 0.005 18.186 1.00 11.63 ? 85 ILE C CB 1 ATOM 8216 C CG1 . ILE C 1 85 ? 11.137 0.803 19.201 1.00 14.10 ? 85 ILE C CG1 1 ATOM 8217 C CG2 . ILE C 1 85 ? 13.315 -0.330 18.756 1.00 13.68 ? 85 ILE C CG2 1 ATOM 8218 C CD1 . ILE C 1 85 ? 10.613 -0.061 20.378 1.00 13.08 ? 85 ILE C CD1 1 ATOM 8219 H H . ILE C 1 85 ? 10.150 0.453 16.621 1.00 11.88 ? 85 ILE C H 1 ATOM 8220 H HA . ILE C 1 85 ? 12.527 1.623 17.066 1.00 11.66 ? 85 ILE C HA 1 ATOM 8221 H HB . ILE C 1 85 ? 11.464 -0.824 18.004 1.00 13.95 ? 85 ILE C HB 1 ATOM 8222 H HG12 . ILE C 1 85 ? 11.704 1.498 19.569 1.00 16.91 ? 85 ILE C HG12 1 ATOM 8223 H HG13 . ILE C 1 85 ? 10.371 1.200 18.757 1.00 16.91 ? 85 ILE C HG13 1 ATOM 8224 H HG21 . ILE C 1 85 ? 13.205 -0.819 19.575 1.00 16.40 ? 85 ILE C HG21 1 ATOM 8225 H HG22 . ILE C 1 85 ? 13.795 -0.863 18.119 1.00 16.40 ? 85 ILE C HG22 1 ATOM 8226 H HG23 . ILE C 1 85 ? 13.790 0.487 18.924 1.00 16.40 ? 85 ILE C HG23 1 ATOM 8227 H HD11 . ILE C 1 85 ? 10.120 0.500 20.981 1.00 15.69 ? 85 ILE C HD11 1 ATOM 8228 H HD12 . ILE C 1 85 ? 10.043 -0.750 20.030 1.00 15.69 ? 85 ILE C HD12 1 ATOM 8229 H HD13 . ILE C 1 85 ? 11.361 -0.454 20.833 1.00 15.69 ? 85 ILE C HD13 1 ATOM 8230 N N . GLU C 1 86 ? 14.041 0.460 15.563 1.00 11.32 ? 86 GLU C N 1 ATOM 8231 C CA A GLU C 1 86 ? 14.958 -0.253 14.677 0.39 12.41 ? 86 GLU C CA 1 ATOM 8232 C CA B GLU C 1 86 ? 14.956 -0.282 14.686 0.61 11.98 ? 86 GLU C CA 1 ATOM 8233 C C . GLU C 1 86 ? 16.396 0.048 15.051 1.00 10.49 ? 86 GLU C C 1 ATOM 8234 O O . GLU C 1 86 ? 16.679 1.087 15.598 1.00 14.00 ? 86 GLU C O 1 ATOM 8235 C CB A GLU C 1 86 ? 14.750 0.155 13.219 0.39 16.33 ? 86 GLU C CB 1 ATOM 8236 C CB B GLU C 1 86 ? 14.696 -0.033 13.169 0.61 16.54 ? 86 GLU C CB 1 ATOM 8237 C CG A GLU C 1 86 ? 13.867 -0.763 12.407 0.39 10.34 ? 86 GLU C CG 1 ATOM 8238 C CG B GLU C 1 86 ? 14.817 1.432 12.718 0.61 19.52 ? 86 GLU C CG 1 ATOM 8239 C CD A GLU C 1 86 ? 13.918 -0.376 10.940 0.39 6.77 ? 86 GLU C CD 1 ATOM 8240 C CD B GLU C 1 86 ? 14.493 1.677 11.218 0.61 19.10 ? 86 GLU C CD 1 ATOM 8241 O OE1 A GLU C 1 86 ? 13.299 0.643 10.595 0.39 9.06 ? 86 GLU C OE1 1 ATOM 8242 O OE1 B GLU C 1 86 ? 13.832 0.801 10.579 0.61 11.76 ? 86 GLU C OE1 1 ATOM 8243 O OE2 A GLU C 1 86 ? 14.593 -1.062 10.135 0.39 6.82 ? 86 GLU C OE2 1 ATOM 8244 O OE2 B GLU C 1 86 ? 14.908 2.745 10.682 0.61 8.17 ? 86 GLU C OE2 1 ATOM 8245 H H A GLU C 1 86 ? 14.317 1.239 15.801 0.39 13.57 ? 86 GLU C H 1 ATOM 8246 H H B GLU C 1 86 ? 14.318 1.242 15.789 0.61 13.57 ? 86 GLU C H 1 ATOM 8247 H HA A GLU C 1 86 ? 14.810 -1.219 14.757 0.39 14.88 ? 86 GLU C HA 1 ATOM 8248 H HA B GLU C 1 86 ? 14.827 -1.239 14.849 0.61 14.37 ? 86 GLU C HA 1 ATOM 8249 H HB2 A GLU C 1 86 ? 14.347 1.037 13.202 0.39 19.59 ? 86 GLU C HB2 1 ATOM 8250 H HB2 B GLU C 1 86 ? 15.338 -0.550 12.657 0.61 19.84 ? 86 GLU C HB2 1 ATOM 8251 H HB3 A GLU C 1 86 ? 15.615 0.186 12.782 0.39 19.59 ? 86 GLU C HB3 1 ATOM 8252 H HB3 B GLU C 1 86 ? 13.797 -0.330 12.957 0.61 19.84 ? 86 GLU C HB3 1 ATOM 8253 H HG2 A GLU C 1 86 ? 14.179 -1.677 12.496 0.39 12.40 ? 86 GLU C HG2 1 ATOM 8254 H HG2 B GLU C 1 86 ? 14.203 1.969 13.243 0.61 23.41 ? 86 GLU C HG2 1 ATOM 8255 H HG3 A GLU C 1 86 ? 12.950 -0.685 12.714 0.39 12.40 ? 86 GLU C HG3 1 ATOM 8256 H HG3 B GLU C 1 86 ? 15.727 1.730 12.874 0.61 23.41 ? 86 GLU C HG3 1 ATOM 8257 N N . LYS C 1 87 ? 17.278 -0.895 14.751 1.00 12.50 ? 87 LYS C N 1 ATOM 8258 C CA A LYS C 1 87 ? 18.720 -0.693 14.870 0.39 13.77 ? 87 LYS C CA 1 ATOM 8259 C CA B LYS C 1 87 ? 18.712 -0.663 14.882 0.29 13.40 ? 87 LYS C CA 1 ATOM 8260 C CA C LYS C 1 87 ? 18.717 -0.683 14.866 0.32 13.67 ? 87 LYS C CA 1 ATOM 8261 C C . LYS C 1 87 ? 19.226 0.092 13.662 1.00 11.31 ? 87 LYS C C 1 ATOM 8262 O O . LYS C 1 87 ? 18.575 0.111 12.608 1.00 14.25 ? 87 LYS C O 1 ATOM 8263 C CB A LYS C 1 87 ? 19.449 -2.046 14.926 0.39 14.14 ? 87 LYS C CB 1 ATOM 8264 C CB B LYS C 1 87 ? 19.462 -1.991 15.020 0.29 14.73 ? 87 LYS C CB 1 ATOM 8265 C CB C LYS C 1 87 ? 19.440 -2.033 14.943 0.32 14.30 ? 87 LYS C CB 1 ATOM 8266 C CG A LYS C 1 87 ? 19.060 -2.924 16.117 0.39 17.40 ? 87 LYS C CG 1 ATOM 8267 C CG B LYS C 1 87 ? 19.095 -2.766 16.276 0.29 17.19 ? 87 LYS C CG 1 ATOM 8268 C CG C LYS C 1 87 ? 18.897 -2.950 16.030 0.32 16.87 ? 87 LYS C CG 1 ATOM 8269 C CD A LYS C 1 87 ? 19.867 -4.217 16.152 0.39 23.41 ? 87 LYS C CD 1 ATOM 8270 C CD B LYS C 1 87 ? 19.948 -4.008 16.434 0.29 23.28 ? 87 LYS C CD 1 ATOM 8271 C CD C LYS C 1 87 ? 19.722 -4.213 16.168 0.32 23.28 ? 87 LYS C CD 1 ATOM 8272 C CE A LYS C 1 87 ? 19.628 -4.987 17.454 0.39 27.88 ? 87 LYS C CE 1 ATOM 8273 C CE B LYS C 1 87 ? 19.676 -4.696 17.768 0.29 27.77 ? 87 LYS C CE 1 ATOM 8274 C CE C LYS C 1 87 ? 19.264 -5.034 17.368 0.32 28.19 ? 87 LYS C CE 1 ATOM 8275 N NZ A LYS C 1 87 ? 20.293 -6.326 17.474 0.39 31.78 ? 87 LYS C NZ 1 ATOM 8276 N NZ B LYS C 1 87 ? 18.246 -5.105 17.913 0.29 26.45 ? 87 LYS C NZ 1 ATOM 8277 N NZ C LYS C 1 87 ? 19.300 -4.246 18.636 0.32 27.16 ? 87 LYS C NZ 1 ATOM 8278 H H A LYS C 1 87 ? 17.063 -1.679 14.470 0.39 14.99 ? 87 LYS C H 1 ATOM 8279 H H B LYS C 1 87 ? 17.073 -1.680 14.468 0.29 14.99 ? 87 LYS C H 1 ATOM 8280 H H C LYS C 1 87 ? 17.065 -1.680 14.473 0.32 14.99 ? 87 LYS C H 1 ATOM 8281 H HA A LYS C 1 87 ? 18.922 -0.188 15.685 0.39 16.52 ? 87 LYS C HA 1 ATOM 8282 H HA B LYS C 1 87 ? 18.886 -0.122 15.680 0.29 16.06 ? 87 LYS C HA 1 ATOM 8283 H HA C LYS C 1 87 ? 18.914 -0.172 15.679 0.32 16.39 ? 87 LYS C HA 1 ATOM 8284 H HB2 A LYS C 1 87 ? 19.247 -2.541 14.117 0.39 16.96 ? 87 LYS C HB2 1 ATOM 8285 H HB2 B LYS C 1 87 ? 19.255 -2.549 14.255 0.29 17.66 ? 87 LYS C HB2 1 ATOM 8286 H HB2 C LYS C 1 87 ? 19.343 -2.490 14.093 0.32 17.15 ? 87 LYS C HB2 1 ATOM 8287 H HB3 A LYS C 1 87 ? 20.404 -1.882 14.980 0.39 16.96 ? 87 LYS C HB3 1 ATOM 8288 H HB3 B LYS C 1 87 ? 20.415 -1.811 15.050 0.29 17.66 ? 87 LYS C HB3 1 ATOM 8289 H HB3 C LYS C 1 87 ? 20.379 -1.875 15.128 0.32 17.15 ? 87 LYS C HB3 1 ATOM 8290 H HG2 A LYS C 1 87 ? 19.229 -2.439 16.940 0.39 20.87 ? 87 LYS C HG2 1 ATOM 8291 H HG2 B LYS C 1 87 ? 19.233 -2.201 17.052 0.29 20.62 ? 87 LYS C HG2 1 ATOM 8292 H HG2 C LYS C 1 87 ? 18.916 -2.482 16.880 0.32 20.23 ? 87 LYS C HG2 1 ATOM 8293 H HG3 A LYS C 1 87 ? 18.120 -3.154 16.051 0.39 20.87 ? 87 LYS C HG3 1 ATOM 8294 H HG3 B LYS C 1 87 ? 18.166 -3.040 16.222 0.29 20.62 ? 87 LYS C HG3 1 ATOM 8295 H HG3 C LYS C 1 87 ? 17.988 -3.204 15.808 0.32 20.23 ? 87 LYS C HG3 1 ATOM 8296 H HD2 A LYS C 1 87 ? 19.599 -4.782 15.410 0.39 28.08 ? 87 LYS C HD2 1 ATOM 8297 H HD2 B LYS C 1 87 ? 19.741 -4.632 15.721 0.29 27.93 ? 87 LYS C HD2 1 ATOM 8298 H HD2 C LYS C 1 87 ? 19.618 -4.754 15.369 0.32 27.93 ? 87 LYS C HD2 1 ATOM 8299 H HD3 A LYS C 1 87 ? 20.812 -4.007 16.090 0.39 28.08 ? 87 LYS C HD3 1 ATOM 8300 H HD3 B LYS C 1 87 ? 20.885 -3.760 16.404 0.29 27.93 ? 87 LYS C HD3 1 ATOM 8301 H HD3 C LYS C 1 87 ? 20.654 -3.976 16.296 0.32 27.93 ? 87 LYS C HD3 1 ATOM 8302 H HE2 A LYS C 1 87 ? 19.979 -4.469 18.195 0.39 33.44 ? 87 LYS C HE2 1 ATOM 8303 H HE2 B LYS C 1 87 ? 20.226 -5.493 17.832 0.29 33.31 ? 87 LYS C HE2 1 ATOM 8304 H HE2 C LYS C 1 87 ? 18.351 -5.329 17.222 0.32 33.82 ? 87 LYS C HE2 1 ATOM 8305 H HE3 A LYS C 1 87 ? 18.675 -5.125 17.568 0.39 33.44 ? 87 LYS C HE3 1 ATOM 8306 H HE3 B LYS C 1 87 ? 19.889 -4.085 18.490 0.29 33.31 ? 87 LYS C HE3 1 ATOM 8307 H HE3 C LYS C 1 87 ? 19.850 -5.800 17.472 0.32 33.82 ? 87 LYS C HE3 1 ATOM 8308 H HZ1 A LYS C 1 87 ? 19.960 -6.868 16.755 0.39 38.13 ? 87 LYS C HZ1 1 ATOM 8309 H HZ1 B LYS C 1 87 ? 18.112 -5.534 18.761 0.29 31.72 ? 87 LYS C HZ1 1 ATOM 8310 H HZ1 C LYS C 1 87 ? 19.006 -4.792 19.370 0.32 32.58 ? 87 LYS C HZ1 1 ATOM 8311 H HZ2 A LYS C 1 87 ? 21.242 -6.222 17.372 0.39 38.13 ? 87 LYS C HZ2 1 ATOM 8312 H HZ2 B LYS C 1 87 ? 17.677 -4.334 17.860 0.29 31.72 ? 87 LYS C HZ2 1 ATOM 8313 H HZ2 C LYS C 1 87 ? 20.195 -3.945 18.810 0.32 32.58 ? 87 LYS C HZ2 1 ATOM 8314 H HZ3 A LYS C 1 87 ? 20.115 -6.767 18.307 0.39 38.13 ? 87 LYS C HZ3 1 ATOM 8315 H HZ3 B LYS C 1 87 ? 18.007 -5.718 17.213 0.29 31.72 ? 87 LYS C HZ3 1 ATOM 8316 H HZ3 C LYS C 1 87 ? 18.722 -3.483 18.565 0.32 32.58 ? 87 LYS C HZ3 1 ATOM 8317 N N . PHE C 1 88 ? 20.390 0.722 13.809 1.00 11.66 ? 88 PHE C N 1 ATOM 8318 C CA . PHE C 1 88 ? 20.974 1.470 12.702 1.00 9.46 ? 88 PHE C CA 1 ATOM 8319 C C . PHE C 1 88 ? 22.485 1.300 12.702 1.00 9.14 ? 88 PHE C C 1 ATOM 8320 O O . PHE C 1 88 ? 23.122 1.572 13.727 1.00 11.92 ? 88 PHE C O 1 ATOM 8321 C CB . PHE C 1 88 ? 20.657 2.955 12.774 1.00 11.84 ? 88 PHE C CB 1 ATOM 8322 C CG . PHE C 1 88 ? 21.421 3.748 11.765 1.00 10.44 ? 88 PHE C CG 1 ATOM 8323 C CD1 . PHE C 1 88 ? 21.062 3.713 10.439 1.00 11.63 ? 88 PHE C CD1 1 ATOM 8324 C CD2 . PHE C 1 88 ? 22.583 4.412 12.119 1.00 13.74 ? 88 PHE C CD2 1 ATOM 8325 C CE1 . PHE C 1 88 ? 21.816 4.376 9.456 1.00 12.36 ? 88 PHE C CE1 1 ATOM 8326 C CE2 . PHE C 1 88 ? 23.355 5.081 11.153 1.00 12.85 ? 88 PHE C CE2 1 ATOM 8327 C CZ . PHE C 1 88 ? 22.946 5.066 9.812 1.00 13.83 ? 88 PHE C CZ 1 ATOM 8328 H H . PHE C 1 88 ? 20.855 0.732 14.532 1.00 13.98 ? 88 PHE C H 1 ATOM 8329 H HA . PHE C 1 88 ? 20.625 1.120 11.856 1.00 11.34 ? 88 PHE C HA 1 ATOM 8330 H HB2 . PHE C 1 88 ? 19.710 3.086 12.605 1.00 14.19 ? 88 PHE C HB2 1 ATOM 8331 H HB3 . PHE C 1 88 ? 20.887 3.287 13.655 1.00 14.19 ? 88 PHE C HB3 1 ATOM 8332 H HD1 . PHE C 1 88 ? 20.300 3.243 10.187 1.00 13.95 ? 88 PHE C HD1 1 ATOM 8333 H HD2 . PHE C 1 88 ? 22.857 4.416 13.008 1.00 16.48 ? 88 PHE C HD2 1 ATOM 8334 H HE1 . PHE C 1 88 ? 21.536 4.368 8.569 1.00 14.82 ? 88 PHE C HE1 1 ATOM 8335 H HE2 . PHE C 1 88 ? 24.115 5.553 11.406 1.00 15.41 ? 88 PHE C HE2 1 ATOM 8336 H HZ . PHE C 1 88 ? 23.438 5.521 9.168 1.00 16.59 ? 88 PHE C HZ 1 ATOM 8337 N N . PRO C 1 89 ? 23.075 0.911 11.569 1.00 7.87 ? 89 PRO C N 1 ATOM 8338 C CA . PRO C 1 89 ? 22.453 0.446 10.325 1.00 7.69 ? 89 PRO C CA 1 ATOM 8339 C C . PRO C 1 89 ? 21.930 -0.955 10.490 1.00 10.67 ? 89 PRO C C 1 ATOM 8340 O O . PRO C 1 89 ? 22.475 -1.725 11.268 1.00 11.62 ? 89 PRO C O 1 ATOM 8341 C CB . PRO C 1 89 ? 23.607 0.419 9.315 1.00 10.42 ? 89 PRO C CB 1 ATOM 8342 C CG . PRO C 1 89 ? 24.731 1.130 9.941 1.00 13.90 ? 89 PRO C CG 1 ATOM 8343 C CD . PRO C 1 89 ? 24.539 1.016 11.420 1.00 10.03 ? 89 PRO C CD 1 ATOM 8344 H HA . PRO C 1 89 ? 21.742 1.051 10.025 1.00 9.22 ? 89 PRO C HA 1 ATOM 8345 H HB2 . PRO C 1 89 ? 23.850 -0.501 9.128 1.00 12.49 ? 89 PRO C HB2 1 ATOM 8346 H HB3 . PRO C 1 89 ? 23.333 0.870 8.500 1.00 12.49 ? 89 PRO C HB3 1 ATOM 8347 H HG2 . PRO C 1 89 ? 25.565 0.712 9.675 1.00 16.67 ? 89 PRO C HG2 1 ATOM 8348 H HG3 . PRO C 1 89 ? 24.717 2.061 9.668 1.00 16.67 ? 89 PRO C HG3 1 ATOM 8349 H HD2 . PRO C 1 89 ? 24.971 0.215 11.756 1.00 12.03 ? 89 PRO C HD2 1 ATOM 8350 H HD3 . PRO C 1 89 ? 24.868 1.812 11.866 1.00 12.03 ? 89 PRO C HD3 1 ATOM 8351 N N . ALA C 1 90 ? 20.879 -1.296 9.745 1.00 10.80 ? 90 ALA C N 1 ATOM 8352 C CA . ALA C 1 90 ? 20.404 -2.665 9.702 1.00 10.63 ? 90 ALA C CA 1 ATOM 8353 C C . ALA C 1 90 ? 19.603 -2.927 8.437 1.00 7.63 ? 90 ALA C C 1 ATOM 8354 O O . ALA C 1 90 ? 18.856 -2.067 8.001 1.00 9.57 ? 90 ALA C O 1 ATOM 8355 C CB . ALA C 1 90 ? 19.518 -2.929 10.902 1.00 13.92 ? 90 ALA C CB 1 ATOM 8356 H H . ALA C 1 90 ? 20.428 -0.750 9.258 1.00 12.95 ? 90 ALA C H 1 ATOM 8357 H HA . ALA C 1 90 ? 21.164 -3.283 9.729 1.00 12.75 ? 90 ALA C HA 1 ATOM 8358 H HB1 . ALA C 1 90 ? 19.207 -3.836 10.867 1.00 16.69 ? 90 ALA C HB1 1 ATOM 8359 H HB2 . ALA C 1 90 ? 20.028 -2.788 11.703 1.00 16.69 ? 90 ALA C HB2 1 ATOM 8360 H HB3 . ALA C 1 90 ? 18.772 -2.325 10.877 1.00 16.69 ? 90 ALA C HB3 1 ATOM 8361 N N . PRO C 1 91 ? 19.737 -4.142 7.883 1.00 7.58 ? 91 PRO C N 1 ATOM 8362 C CA . PRO C 1 91 ? 18.783 -4.552 6.858 1.00 8.51 ? 91 PRO C CA 1 ATOM 8363 C C . PRO C 1 91 ? 17.371 -4.461 7.372 1.00 7.95 ? 91 PRO C C 1 ATOM 8364 O O . PRO C 1 91 ? 17.106 -4.674 8.573 1.00 9.44 ? 91 PRO C O 1 ATOM 8365 C CB . PRO C 1 91 ? 19.172 -6.007 6.584 1.00 10.24 ? 91 PRO C CB 1 ATOM 8366 C CG . PRO C 1 91 ? 20.587 -6.130 7.022 1.00 9.74 ? 91 PRO C CG 1 ATOM 8367 C CD . PRO C 1 91 ? 20.642 -5.230 8.235 1.00 9.18 ? 91 PRO C CD 1 ATOM 8368 H HA . PRO C 1 91 ? 18.884 -4.016 6.044 1.00 10.20 ? 91 PRO C HA 1 ATOM 8369 H HB2 . PRO C 1 91 ? 18.602 -6.599 7.099 1.00 12.27 ? 91 PRO C HB2 1 ATOM 8370 H HB3 . PRO C 1 91 ? 19.090 -6.193 5.635 1.00 12.27 ? 91 PRO C HB3 1 ATOM 8371 H HG2 . PRO C 1 91 ? 20.784 -7.050 7.259 1.00 11.67 ? 91 PRO C HG2 1 ATOM 8372 H HG3 . PRO C 1 91 ? 21.181 -5.813 6.323 1.00 11.67 ? 91 PRO C HG3 1 ATOM 8373 H HD2 . PRO C 1 91 ? 20.318 -5.699 9.019 1.00 11.01 ? 91 PRO C HD2 1 ATOM 8374 H HD3 . PRO C 1 91 ? 21.542 -4.893 8.366 1.00 11.01 ? 91 PRO C HD3 1 ATOM 8375 N N . VAL C 1 92 ? 16.440 -4.218 6.465 1.00 8.95 ? 92 VAL C N 1 ATOM 8376 C CA . VAL C 1 92 ? 15.044 -4.146 6.830 1.00 7.33 ? 92 VAL C CA 1 ATOM 8377 C C . VAL C 1 92 ? 14.191 -4.737 5.717 1.00 7.42 ? 92 VAL C C 1 ATOM 8378 O O . VAL C 1 92 ? 14.518 -4.615 4.533 1.00 8.64 ? 92 VAL C O 1 ATOM 8379 C CB . VAL C 1 92 ? 14.602 -2.675 7.080 1.00 9.62 ? 92 VAL C CB 1 ATOM 8380 C CG1 . VAL C 1 92 ? 14.612 -1.857 5.816 1.00 10.51 ? 92 VAL C CG1 1 ATOM 8381 C CG2 . VAL C 1 92 ? 13.213 -2.604 7.710 1.00 10.38 ? 92 VAL C CG2 1 ATOM 8382 H H . VAL C 1 92 ? 16.594 -4.092 5.628 1.00 10.72 ? 92 VAL C H 1 ATOM 8383 H HA . VAL C 1 92 ? 14.891 -4.662 7.649 1.00 8.78 ? 92 VAL C HA 1 ATOM 8384 H HB . VAL C 1 92 ? 15.233 -2.261 7.705 1.00 11.53 ? 92 VAL C HB 1 ATOM 8385 H HG11 . VAL C 1 92 ? 14.333 -0.962 6.021 1.00 12.60 ? 92 VAL C HG11 1 ATOM 8386 H HG12 . VAL C 1 92 ? 15.502 -1.849 5.456 1.00 12.60 ? 92 VAL C HG12 1 ATOM 8387 H HG13 . VAL C 1 92 ? 14.007 -2.252 5.184 1.00 12.60 ? 92 VAL C HG13 1 ATOM 8388 H HG21 . VAL C 1 92 ? 12.979 -1.683 7.847 1.00 12.44 ? 92 VAL C HG21 1 ATOM 8389 H HG22 . VAL C 1 92 ? 12.581 -3.018 7.118 1.00 12.44 ? 92 VAL C HG22 1 ATOM 8390 H HG23 . VAL C 1 92 ? 13.228 -3.067 8.551 1.00 12.44 ? 92 VAL C HG23 1 ATOM 8391 N N . HIS C 1 93 ? 13.098 -5.371 6.106 1.00 6.29 ? 93 HIS C N 1 ATOM 8392 C CA . HIS C 1 93 ? 12.052 -5.794 5.212 1.00 5.64 ? 93 HIS C CA 1 ATOM 8393 C C . HIS C 1 93 ? 10.863 -4.869 5.450 1.00 7.43 ? 93 HIS C C 1 ATOM 8394 O O . HIS C 1 93 ? 10.413 -4.676 6.581 1.00 7.53 ? 93 HIS C O 1 ATOM 8395 C CB . HIS C 1 93 ? 11.653 -7.246 5.461 1.00 6.55 ? 93 HIS C CB 1 ATOM 8396 C CG . HIS C 1 93 ? 10.638 -7.723 4.509 1.00 9.03 ? 93 HIS C CG 1 ATOM 8397 N ND1 . HIS C 1 93 ? 9.288 -7.737 4.768 1.00 8.65 ? 93 HIS C ND1 1 ATOM 8398 C CD2 . HIS C 1 93 ? 10.789 -8.098 3.221 1.00 7.56 ? 93 HIS C CD2 1 ATOM 8399 C CE1 . HIS C 1 93 ? 8.650 -8.152 3.688 1.00 9.81 ? 93 HIS C CE1 1 ATOM 8400 N NE2 . HIS C 1 93 ? 9.534 -8.390 2.741 1.00 9.49 ? 93 HIS C NE2 1 ATOM 8401 H H . HIS C 1 93 ? 12.939 -5.575 6.926 1.00 7.54 ? 93 HIS C H 1 ATOM 8402 H HA . HIS C 1 93 ? 12.348 -5.700 4.282 1.00 6.76 ? 93 HIS C HA 1 ATOM 8403 H HB2 . HIS C 1 93 ? 12.437 -7.810 5.373 1.00 7.85 ? 93 HIS C HB2 1 ATOM 8404 H HB3 . HIS C 1 93 ? 11.286 -7.324 6.356 1.00 7.85 ? 93 HIS C HB3 1 ATOM 8405 H HD2 . HIS C 1 93 ? 11.591 -8.179 2.758 1.00 9.07 ? 93 HIS C HD2 1 ATOM 8406 H HE1 . HIS C 1 93 ? 7.731 -8.279 3.617 1.00 11.76 ? 93 HIS C HE1 1 ATOM 8407 H HE2 . HIS C 1 93 ? 9.355 -8.675 1.950 1.00 11.38 ? 93 HIS C HE2 1 ATOM 8408 N N . ILE C 1 94 ? 10.395 -4.248 4.388 1.00 7.07 ? 94 ILE C N 1 ATOM 8409 C CA . ILE C 1 94 ? 9.305 -3.266 4.468 1.00 7.79 ? 94 ILE C CA 1 ATOM 8410 C C . ILE C 1 94 ? 8.144 -3.723 3.614 1.00 10.98 ? 94 ILE C C 1 ATOM 8411 O O . ILE C 1 94 ? 8.321 -4.080 2.444 1.00 10.79 ? 94 ILE C O 1 ATOM 8412 C CB . ILE C 1 94 ? 9.779 -1.932 3.924 1.00 9.72 ? 94 ILE C CB 1 ATOM 8413 C CG1 . ILE C 1 94 ? 10.956 -1.394 4.736 1.00 10.25 ? 94 ILE C CG1 1 ATOM 8414 C CG2 . ILE C 1 94 ? 8.624 -0.919 3.928 1.00 12.27 ? 94 ILE C CG2 1 ATOM 8415 C CD1 . ILE C 1 94 ? 11.828 -0.380 4.018 1.00 15.02 ? 94 ILE C CD1 1 ATOM 8416 H H . ILE C 1 94 ? 10.690 -4.373 3.590 1.00 8.47 ? 94 ILE C H 1 ATOM 8417 H HA . ILE C 1 94 ? 9.008 -3.155 5.395 1.00 9.34 ? 94 ILE C HA 1 ATOM 8418 H HB . ILE C 1 94 ? 10.072 -2.061 3.008 1.00 11.65 ? 94 ILE C HB 1 ATOM 8419 H HG12 . ILE C 1 94 ? 10.609 -0.967 5.535 1.00 12.29 ? 94 ILE C HG12 1 ATOM 8420 H HG13 . ILE C 1 94 ? 11.523 -2.140 4.987 1.00 12.29 ? 94 ILE C HG13 1 ATOM 8421 H HG21 . ILE C 1 94 ? 8.942 -0.082 3.581 1.00 14.71 ? 94 ILE C HG21 1 ATOM 8422 H HG22 . ILE C 1 94 ? 7.913 -1.254 3.376 1.00 14.71 ? 94 ILE C HG22 1 ATOM 8423 H HG23 . ILE C 1 94 ? 8.313 -0.803 4.829 1.00 14.71 ? 94 ILE C HG23 1 ATOM 8424 H HD11 . ILE C 1 94 ? 12.535 -0.104 4.606 1.00 18.01 ? 94 ILE C HD11 1 ATOM 8425 H HD12 . ILE C 1 94 ? 12.197 -0.787 3.231 1.00 18.01 ? 94 ILE C HD12 1 ATOM 8426 H HD13 . ILE C 1 94 ? 11.290 0.377 3.774 1.00 18.01 ? 94 ILE C HD13 1 ATOM 8427 N N . CYS C 1 95 ? 6.927 -3.733 4.169 1.00 7.88 ? 95 CYS C N 1 ATOM 8428 C CA . CYS C 1 95 ? 5.691 -3.941 3.407 1.00 8.28 ? 95 CYS C CA 1 ATOM 8429 C C . CYS C 1 95 ? 4.806 -2.752 3.713 1.00 7.85 ? 95 CYS C C 1 ATOM 8430 O O . CYS C 1 95 ? 4.718 -2.300 4.867 1.00 8.14 ? 95 CYS C O 1 ATOM 8431 C CB . CYS C 1 95 ? 4.968 -5.204 3.828 1.00 10.95 ? 95 CYS C CB 1 ATOM 8432 S SG . CYS C 1 95 ? 5.578 -6.770 3.138 1.00 19.53 ? 95 CYS C SG 1 ATOM 8433 H H . CYS C 1 95 ? 6.789 -3.618 5.010 1.00 9.44 ? 95 CYS C H 1 ATOM 8434 H HA . CYS C 1 95 ? 5.879 -3.973 2.445 1.00 9.93 ? 95 CYS C HA 1 ATOM 8435 H HB2 . CYS C 1 95 ? 5.023 -5.276 4.794 1.00 13.13 ? 95 CYS C HB2 1 ATOM 8436 H HB3 . CYS C 1 95 ? 4.037 -5.120 3.567 1.00 13.13 ? 95 CYS C HB3 1 ATOM 8437 N N . VAL C 1 96 ? 4.161 -2.210 2.700 1.00 6.45 ? 96 VAL C N 1 ATOM 8438 C CA . VAL C 1 96 ? 3.139 -1.210 2.922 1.00 8.32 ? 96 VAL C CA 1 ATOM 8439 C C . VAL C 1 96 ? 1.939 -1.490 2.048 1.00 7.33 ? 96 VAL C C 1 ATOM 8440 O O . VAL C 1 96 ? 2.087 -1.802 0.857 1.00 7.62 ? 96 VAL C O 1 ATOM 8441 C CB . VAL C 1 96 ? 3.682 0.216 2.692 1.00 8.64 ? 96 VAL C CB 1 ATOM 8442 C CG1 . VAL C 1 96 ? 4.200 0.389 1.266 1.00 12.73 ? 96 VAL C CG1 1 ATOM 8443 C CG2 . VAL C 1 96 ? 2.653 1.243 3.103 1.00 11.72 ? 96 VAL C CG2 1 ATOM 8444 H H . VAL C 1 96 ? 4.296 -2.404 1.873 1.00 7.73 ? 96 VAL C H 1 ATOM 8445 H HA . VAL C 1 96 ? 2.844 -1.267 3.855 1.00 9.97 ? 96 VAL C HA 1 ATOM 8446 H HB . VAL C 1 96 ? 4.452 0.339 3.286 1.00 10.36 ? 96 VAL C HB 1 ATOM 8447 H HG11 . VAL C 1 96 ? 4.528 1.284 1.159 1.00 15.26 ? 96 VAL C HG11 1 ATOM 8448 H HG12 . VAL C 1 96 ? 4.908 -0.241 1.112 1.00 15.26 ? 96 VAL C HG12 1 ATOM 8449 H HG13 . VAL C 1 96 ? 3.480 0.228 0.651 1.00 15.26 ? 96 VAL C HG13 1 ATOM 8450 H HG21 . VAL C 1 96 ? 3.011 2.121 2.951 1.00 14.06 ? 96 VAL C HG21 1 ATOM 8451 H HG22 . VAL C 1 96 ? 1.860 1.117 2.577 1.00 14.06 ? 96 VAL C HG22 1 ATOM 8452 H HG23 . VAL C 1 96 ? 2.451 1.127 4.034 1.00 14.06 ? 96 VAL C HG23 1 ATOM 8453 N N . SER C 1 97 ? 0.742 -1.401 2.626 1.00 8.37 ? 97 SER C N 1 ATOM 8454 C CA . SER C 1 97 ? -0.463 -1.584 1.830 1.00 7.14 ? 97 SER C CA 1 ATOM 8455 C C . SER C 1 97 ? -1.322 -0.347 2.013 1.00 8.42 ? 97 SER C C 1 ATOM 8456 O O . SER C 1 97 ? -1.192 0.358 3.012 1.00 9.02 ? 97 SER C O 1 ATOM 8457 C CB . SER C 1 97 ? -1.262 -2.799 2.247 1.00 9.58 ? 97 SER C CB 1 ATOM 8458 O OG . SER C 1 97 ? -1.772 -2.638 3.571 1.00 9.79 ? 97 SER C OG 1 ATOM 8459 H H . SER C 1 97 ? 0.605 -1.240 3.460 1.00 10.03 ? 97 SER C H 1 ATOM 8460 H HA . SER C 1 97 ? -0.227 -1.669 0.883 1.00 8.56 ? 97 SER C HA 1 ATOM 8461 H HB2 . SER C 1 97 ? -2.004 -2.915 1.634 1.00 11.49 ? 97 SER C HB2 1 ATOM 8462 H HB3 . SER C 1 97 ? -0.686 -3.579 2.223 1.00 11.49 ? 97 SER C HB3 1 ATOM 8463 H HG . SER C 1 97 ? -2.203 -3.301 3.788 1.00 11.73 ? 97 SER C HG 1 ATOM 8464 N N . TRP C 1 98 ? -2.219 -0.119 1.060 1.00 7.11 ? 98 TRP C N 1 ATOM 8465 C CA . TRP C 1 98 ? -3.216 0.937 1.157 1.00 7.43 ? 98 TRP C CA 1 ATOM 8466 C C . TRP C 1 98 ? -4.495 0.481 0.473 1.00 7.93 ? 98 TRP C C 1 ATOM 8467 O O . TRP C 1 98 ? -4.446 -0.194 -0.556 1.00 8.36 ? 98 TRP C O 1 ATOM 8468 C CB . TRP C 1 98 ? -2.686 2.215 0.527 1.00 7.98 ? 98 TRP C CB 1 ATOM 8469 C CG . TRP C 1 98 ? -3.657 3.368 0.537 1.00 8.50 ? 98 TRP C CG 1 ATOM 8470 C CD1 . TRP C 1 98 ? -3.951 4.220 1.577 1.00 8.03 ? 98 TRP C CD1 1 ATOM 8471 C CD2 . TRP C 1 98 ? -4.441 3.808 -0.580 1.00 8.86 ? 98 TRP C CD2 1 ATOM 8472 N NE1 . TRP C 1 98 ? -4.882 5.139 1.166 1.00 8.38 ? 98 TRP C NE1 1 ATOM 8473 C CE2 . TRP C 1 98 ? -5.174 4.930 -0.156 1.00 8.09 ? 98 TRP C CE2 1 ATOM 8474 C CE3 . TRP C 1 98 ? -4.567 3.372 -1.900 1.00 11.82 ? 98 TRP C CE3 1 ATOM 8475 C CZ2 . TRP C 1 98 ? -6.046 5.616 -1.006 1.00 11.07 ? 98 TRP C CZ2 1 ATOM 8476 C CZ3 . TRP C 1 98 ? -5.430 4.073 -2.758 1.00 13.20 ? 98 TRP C CZ3 1 ATOM 8477 C CH2 . TRP C 1 98 ? -6.157 5.173 -2.296 1.00 12.15 ? 98 TRP C CH2 1 ATOM 8478 H H . TRP C 1 98 ? -2.271 -0.574 0.332 1.00 8.52 ? 98 TRP C H 1 ATOM 8479 H HA . TRP C 1 98 ? -3.414 1.115 2.100 1.00 8.90 ? 98 TRP C HA 1 ATOM 8480 H HB2 . TRP C 1 98 ? -1.894 2.494 1.012 1.00 9.56 ? 98 TRP C HB2 1 ATOM 8481 H HB3 . TRP C 1 98 ? -2.456 2.033 -0.397 1.00 9.56 ? 98 TRP C HB3 1 ATOM 8482 H HD1 . TRP C 1 98 ? -3.598 4.161 2.436 1.00 9.62 ? 98 TRP C HD1 1 ATOM 8483 H HE1 . TRP C 1 98 ? -5.204 5.772 1.652 1.00 10.05 ? 98 TRP C HE1 1 ATOM 8484 H HE3 . TRP C 1 98 ? -4.071 2.649 -2.212 1.00 14.17 ? 98 TRP C HE3 1 ATOM 8485 H HZ2 . TRP C 1 98 ? -6.540 6.344 -0.703 1.00 13.27 ? 98 TRP C HZ2 1 ATOM 8486 H HZ3 . TRP C 1 98 ? -5.531 3.792 -3.639 1.00 15.82 ? 98 TRP C HZ3 1 ATOM 8487 H HH2 . TRP C 1 98 ? -6.738 5.609 -2.877 1.00 14.57 ? 98 TRP C HH2 1 ATOM 8488 N N . GLU C 1 99 ? -5.625 0.880 1.062 1.00 9.16 ? 99 GLU C N 1 ATOM 8489 C CA . GLU C 1 99 ? -6.938 0.464 0.637 1.00 9.87 ? 99 GLU C CA 1 ATOM 8490 C C . GLU C 1 99 ? -7.768 1.736 0.439 1.00 10.59 ? 99 GLU C C 1 ATOM 8491 O O . GLU C 1 99 ? -8.054 2.420 1.415 1.00 10.40 ? 99 GLU C O 1 ATOM 8492 C CB . GLU C 1 99 ? -7.538 -0.366 1.769 1.00 13.05 ? 99 GLU C CB 1 ATOM 8493 C CG . GLU C 1 99 ? -8.846 -0.985 1.442 1.00 18.69 ? 99 GLU C CG 1 ATOM 8494 C CD . GLU C 1 99 ? -9.329 -1.786 2.608 1.00 17.81 ? 99 GLU C CD 1 ATOM 8495 O OE1 . GLU C 1 99 ? -9.423 -3.023 2.455 1.00 22.72 ? 99 GLU C OE1 1 ATOM 8496 O OE2 . GLU C 1 99 ? -9.630 -1.176 3.663 1.00 14.55 ? 99 GLU C OE2 1 ATOM 8497 H H . GLU C 1 99 ? -5.644 1.413 1.736 1.00 10.98 ? 99 GLU C H 1 ATOM 8498 H HA . GLU C 1 99 ? -6.902 -0.057 -0.192 1.00 11.83 ? 99 GLU C HA 1 ATOM 8499 H HB2 . GLU C 1 99 ? -6.921 -1.081 1.992 1.00 15.65 ? 99 GLU C HB2 1 ATOM 8500 H HB3 . GLU C 1 99 ? -7.668 0.207 2.541 1.00 15.65 ? 99 GLU C HB3 1 ATOM 8501 H HG2 . GLU C 1 99 ? -9.496 -0.291 1.251 1.00 22.42 ? 99 GLU C HG2 1 ATOM 8502 H HG3 . GLU C 1 99 ? -8.745 -1.577 0.680 1.00 22.42 ? 99 GLU C HG3 1 ATOM 8503 N N . SER C 1 100 ? -8.183 2.073 -0.780 1.00 9.30 ? 100 SER C N 1 ATOM 8504 C CA . SER C 1 100 ? -8.981 3.274 -1.001 1.00 10.13 ? 100 SER C CA 1 ATOM 8505 C C . SER C 1 100 ? -10.264 3.317 -0.190 1.00 10.45 ? 100 SER C C 1 ATOM 8506 O O . SER C 1 100 ? -10.631 4.393 0.315 1.00 12.09 ? 100 SER C O 1 ATOM 8507 C CB . SER C 1 100 ? -9.349 3.377 -2.472 1.00 11.07 ? 100 SER C CB 1 ATOM 8508 O OG . SER C 1 100 ? -10.245 4.456 -2.690 1.00 12.23 ? 100 SER C OG 1 ATOM 8509 H H . SER C 1 100 ? -8.017 1.623 -1.493 1.00 11.15 ? 100 SER C H 1 ATOM 8510 H HA . SER C 1 100 ? -8.446 4.060 -0.764 1.00 12.14 ? 100 SER C HA 1 ATOM 8511 H HB2 . SER C 1 100 ? -8.542 3.526 -2.990 1.00 13.27 ? 100 SER C HB2 1 ATOM 8512 H HB3 . SER C 1 100 ? -9.774 2.551 -2.751 1.00 13.27 ? 100 SER C HB3 1 ATOM 8513 H HG . SER C 1 100 ? -10.438 4.504 -3.486 1.00 14.66 ? 100 SER C HG 1 ATOM 8514 N N . SER C 1 101 ? -10.967 2.188 -0.065 1.00 9.78 ? 101 SER C N 1 ATOM 8515 C CA . SER C 1 101 ? -12.309 2.244 0.522 1.00 11.54 ? 101 SER C CA 1 ATOM 8516 C C . SER C 1 101 ? -12.285 2.756 1.946 1.00 10.80 ? 101 SER C C 1 ATOM 8517 O O . SER C 1 101 ? -13.187 3.496 2.339 1.00 14.02 ? 101 SER C O 1 ATOM 8518 C CB . SER C 1 101 ? -13.044 0.904 0.435 1.00 15.05 ? 101 SER C CB 1 ATOM 8519 O OG . SER C 1 101 ? -12.282 -0.107 1.006 1.00 17.44 ? 101 SER C OG 1 ATOM 8520 H H . SER C 1 101 ? -10.703 1.404 -0.301 1.00 11.72 ? 101 SER C H 1 ATOM 8521 H HA . SER C 1 101 ? -12.834 2.887 0.001 1.00 13.83 ? 101 SER C HA 1 ATOM 8522 H HB2 . SER C 1 101 ? -13.887 0.973 0.911 1.00 18.04 ? 101 SER C HB2 1 ATOM 8523 H HB3 . SER C 1 101 ? -13.206 0.692 -0.498 1.00 18.04 ? 101 SER C HB3 1 ATOM 8524 H HG . SER C 1 101 ? -12.681 -0.821 0.956 1.00 20.91 ? 101 SER C HG 1 ATOM 8525 N N . SER C 1 102 ? -11.237 2.432 2.704 1.00 9.38 ? 102 SER C N 1 ATOM 8526 C CA . SER C 1 102 ? -11.085 2.899 4.063 1.00 9.14 ? 102 SER C CA 1 ATOM 8527 C C . SER C 1 102 ? -10.035 3.989 4.229 1.00 9.18 ? 102 SER C C 1 ATOM 8528 O O . SER C 1 102 ? -10.004 4.641 5.270 1.00 10.50 ? 102 SER C O 1 ATOM 8529 C CB . SER C 1 102 ? -10.632 1.759 4.948 1.00 11.45 ? 102 SER C CB 1 ATOM 8530 O OG . SER C 1 102 ? -9.355 1.289 4.530 1.00 10.13 ? 102 SER C OG 1 ATOM 8531 H H . SER C 1 102 ? -10.591 1.931 2.438 1.00 11.24 ? 102 SER C H 1 ATOM 8532 H HA . SER C 1 102 ? -11.943 3.235 4.396 1.00 10.96 ? 102 SER C HA 1 ATOM 8533 H HB2 . SER C 1 102 ? -10.572 2.072 5.864 1.00 13.72 ? 102 SER C HB2 1 ATOM 8534 H HB3 . SER C 1 102 ? -11.274 1.034 4.884 1.00 13.72 ? 102 SER C HB3 1 ATOM 8535 H HG . SER C 1 102 ? -9.112 0.671 5.011 1.00 12.14 ? 102 SER C HG 1 ATOM 8536 N N . GLY C 1 103 ? -9.163 4.133 3.244 1.00 7.93 ? 103 GLY C N 1 ATOM 8537 C CA . GLY C 1 103 ? -8.011 5.002 3.311 1.00 8.09 ? 103 GLY C CA 1 ATOM 8538 C C . GLY C 1 103 ? -6.863 4.448 4.156 1.00 7.81 ? 103 GLY C C 1 ATOM 8539 O O . GLY C 1 103 ? -5.862 5.115 4.325 1.00 7.31 ? 103 GLY C O 1 ATOM 8540 H H . GLY C 1 103 ? -9.225 3.716 2.495 1.00 9.50 ? 103 GLY C H 1 ATOM 8541 H HA2 . GLY C 1 103 ? -7.677 5.157 2.414 1.00 9.69 ? 103 GLY C HA2 1 ATOM 8542 H HA3 . GLY C 1 103 ? -8.278 5.855 3.687 1.00 9.69 ? 103 GLY C HA3 1 ATOM 8543 N N . ILE C 1 104 ? -7.008 3.241 4.690 1.00 7.52 ? 104 ILE C N 1 ATOM 8544 C CA . ILE C 1 104 ? -6.022 2.733 5.654 1.00 8.20 ? 104 ILE C CA 1 ATOM 8545 C C . ILE C 1 104 ? -4.721 2.300 4.976 1.00 8.10 ? 104 ILE C C 1 ATOM 8546 O O . ILE C 1 104 ? -4.716 1.538 3.971 1.00 7.73 ? 104 ILE C O 1 ATOM 8547 C CB . ILE C 1 104 ? -6.601 1.560 6.461 1.00 8.32 ? 104 ILE C CB 1 ATOM 8548 C CG1 . ILE C 1 104 ? -7.779 2.038 7.314 1.00 10.57 ? 104 ILE C CG1 1 ATOM 8549 C CG2 . ILE C 1 104 ? -5.503 0.847 7.289 1.00 10.29 ? 104 ILE C CG2 1 ATOM 8550 C CD1 . ILE C 1 104 ? -7.393 3.016 8.384 1.00 14.70 ? 104 ILE C CD1 1 ATOM 8551 H H . ILE C 1 104 ? -7.655 2.700 4.518 1.00 9.01 ? 104 ILE C H 1 ATOM 8552 H HA . ILE C 1 104 ? -5.804 3.450 6.286 1.00 9.83 ? 104 ILE C HA 1 ATOM 8553 H HB . ILE C 1 104 ? -6.948 0.914 5.826 1.00 9.97 ? 104 ILE C HB 1 ATOM 8554 H HG12 . ILE C 1 104 ? -8.427 2.471 6.736 1.00 12.67 ? 104 ILE C HG12 1 ATOM 8555 H HG13 . ILE C 1 104 ? -8.185 1.270 7.746 1.00 12.67 ? 104 ILE C HG13 1 ATOM 8556 H HG21 . ILE C 1 104 ? -5.901 0.123 7.778 1.00 12.33 ? 104 ILE C HG21 1 ATOM 8557 H HG22 . ILE C 1 104 ? -4.831 0.509 6.692 1.00 12.33 ? 104 ILE C HG22 1 ATOM 8558 H HG23 . ILE C 1 104 ? -5.112 1.478 7.898 1.00 12.33 ? 104 ILE C HG23 1 ATOM 8559 H HD11 . ILE C 1 104 ? -8.179 3.269 8.874 1.00 17.63 ? 104 ILE C HD11 1 ATOM 8560 H HD12 . ILE C 1 104 ? -6.759 2.600 8.973 1.00 17.63 ? 104 ILE C HD12 1 ATOM 8561 H HD13 . ILE C 1 104 ? -7.000 3.789 7.973 1.00 17.63 ? 104 ILE C HD13 1 ATOM 8562 N N . ALA C 1 105 ? -3.621 2.804 5.546 1.00 8.57 ? 105 ALA C N 1 ATOM 8563 C CA . ALA C 1 105 ? -2.252 2.454 5.166 1.00 7.76 ? 105 ALA C CA 1 ATOM 8564 C C . ALA C 1 105 ? -1.674 1.613 6.270 1.00 9.07 ? 105 ALA C C 1 ATOM 8565 O O . ALA C 1 105 ? -1.699 2.018 7.436 1.00 8.88 ? 105 ALA C O 1 ATOM 8566 C CB . ALA C 1 105 ? -1.401 3.698 4.994 1.00 9.12 ? 105 ALA C CB 1 ATOM 8567 H H . ALA C 1 105 ? -3.649 3.377 6.187 1.00 10.27 ? 105 ALA C H 1 ATOM 8568 H HA . ALA C 1 105 ? -2.250 1.940 4.331 1.00 9.30 ? 105 ALA C HA 1 ATOM 8569 H HB1 . ALA C 1 105 ? -0.512 3.436 4.745 1.00 10.93 ? 105 ALA C HB1 1 ATOM 8570 H HB2 . ALA C 1 105 ? -1.786 4.246 4.307 1.00 10.93 ? 105 ALA C HB2 1 ATOM 8571 H HB3 . ALA C 1 105 ? -1.381 4.179 5.825 1.00 10.93 ? 105 ALA C HB3 1 ATOM 8572 N N . GLU C 1 106 ? -1.150 0.429 5.915 1.00 8.27 ? 106 GLU C N 1 ATOM 8573 C CA . GLU C 1 106 ? -0.488 -0.448 6.872 1.00 8.39 ? 106 GLU C CA 1 ATOM 8574 C C . GLU C 1 106 ? 0.977 -0.630 6.537 1.00 9.51 ? 106 GLU C C 1 ATOM 8575 O O . GLU C 1 106 ? 1.280 -1.255 5.506 1.00 10.39 ? 106 GLU C O 1 ATOM 8576 C CB . GLU C 1 106 ? -1.049 -1.866 6.825 1.00 12.95 ? 106 GLU C CB 1 ATOM 8577 C CG . GLU C 1 106 ? -2.445 -2.014 7.163 1.00 12.68 ? 106 GLU C CG 1 ATOM 8578 C CD . GLU C 1 106 ? -2.915 -3.481 7.236 1.00 16.90 ? 106 GLU C CD 1 ATOM 8579 O OE1 . GLU C 1 106 ? -2.087 -4.452 7.195 1.00 13.55 ? 106 GLU C OE1 1 ATOM 8580 O OE2 . GLU C 1 106 ? -4.148 -3.669 7.370 1.00 16.49 ? 106 GLU C OE2 1 ATOM 8581 H H . GLU C 1 106 ? -1.170 0.115 5.115 1.00 9.92 ? 106 GLU C H 1 ATOM 8582 H HA . GLU C 1 106 ? -0.574 -0.093 7.781 1.00 10.06 ? 106 GLU C HA 1 ATOM 8583 H HB2 . GLU C 1 106 ? -0.933 -2.208 5.925 1.00 15.52 ? 106 GLU C HB2 1 ATOM 8584 H HB3 . GLU C 1 106 ? -0.543 -2.414 7.444 1.00 15.52 ? 106 GLU C HB3 1 ATOM 8585 H HG2 . GLU C 1 106 ? -2.601 -1.610 8.031 1.00 15.20 ? 106 GLU C HG2 1 ATOM 8586 H HG3 . GLU C 1 106 ? -2.980 -1.565 6.490 1.00 15.20 ? 106 GLU C HG3 1 ATOM 8587 N N . PHE C 1 107 ? 1.880 -0.155 7.385 1.00 6.73 ? 107 PHE C N 1 ATOM 8588 C CA . PHE C 1 107 ? 3.289 -0.511 7.297 1.00 6.59 ? 107 PHE C CA 1 ATOM 8589 C C . PHE C 1 107 ? 3.600 -1.720 8.172 1.00 6.85 ? 107 PHE C C 1 ATOM 8590 O O . PHE C 1 107 ? 3.113 -1.841 9.296 1.00 7.58 ? 107 PHE C O 1 ATOM 8591 C CB . PHE C 1 107 ? 4.193 0.620 7.767 1.00 7.16 ? 107 PHE C CB 1 ATOM 8592 C CG . PHE C 1 107 ? 4.554 1.637 6.701 1.00 8.52 ? 107 PHE C CG 1 ATOM 8593 C CD1 . PHE C 1 107 ? 5.537 1.370 5.769 1.00 8.19 ? 107 PHE C CD1 1 ATOM 8594 C CD2 . PHE C 1 107 ? 3.952 2.881 6.698 1.00 9.34 ? 107 PHE C CD2 1 ATOM 8595 C CE1 . PHE C 1 107 ? 5.899 2.320 4.807 1.00 8.02 ? 107 PHE C CE1 1 ATOM 8596 C CE2 . PHE C 1 107 ? 4.296 3.818 5.758 1.00 9.08 ? 107 PHE C CE2 1 ATOM 8597 C CZ . PHE C 1 107 ? 5.258 3.535 4.794 1.00 9.31 ? 107 PHE C CZ 1 ATOM 8598 H H . PHE C 1 107 ? 1.698 0.383 8.031 1.00 8.06 ? 107 PHE C H 1 ATOM 8599 H HA . PHE C 1 107 ? 3.517 -0.729 6.369 1.00 7.89 ? 107 PHE C HA 1 ATOM 8600 H HB2 . PHE C 1 107 ? 3.746 1.095 8.485 1.00 8.58 ? 107 PHE C HB2 1 ATOM 8601 H HB3 . PHE C 1 107 ? 5.021 0.236 8.097 1.00 8.58 ? 107 PHE C HB3 1 ATOM 8602 H HD1 . PHE C 1 107 ? 5.959 0.540 5.774 1.00 9.82 ? 107 PHE C HD1 1 ATOM 8603 H HD2 . PHE C 1 107 ? 3.297 3.079 7.328 1.00 11.20 ? 107 PHE C HD2 1 ATOM 8604 H HE1 . PHE C 1 107 ? 6.545 2.121 4.167 1.00 9.61 ? 107 PHE C HE1 1 ATOM 8605 H HE2 . PHE C 1 107 ? 3.866 4.642 5.752 1.00 10.88 ? 107 PHE C HE2 1 ATOM 8606 H HZ . PHE C 1 107 ? 5.489 4.178 4.163 1.00 11.16 ? 107 PHE C HZ 1 ATOM 8607 N N . TRP C 1 108 ? 4.420 -2.616 7.644 1.00 6.03 ? 108 TRP C N 1 ATOM 8608 C CA . TRP C 1 108 ? 4.958 -3.756 8.375 1.00 7.43 ? 108 TRP C CA 1 ATOM 8609 C C . TRP C 1 108 ? 6.467 -3.733 8.223 1.00 8.16 ? 108 TRP C C 1 ATOM 8610 O O . TRP C 1 108 ? 6.978 -3.698 7.104 1.00 8.10 ? 108 TRP C O 1 ATOM 8611 C CB . TRP C 1 108 ? 4.412 -5.065 7.792 1.00 8.00 ? 108 TRP C CB 1 ATOM 8612 C CG . TRP C 1 108 ? 2.940 -5.257 8.013 1.00 7.50 ? 108 TRP C CG 1 ATOM 8613 C CD1 . TRP C 1 108 ? 1.913 -4.559 7.412 1.00 10.78 ? 108 TRP C CD1 1 ATOM 8614 C CD2 . TRP C 1 108 ? 2.319 -6.206 8.894 1.00 9.40 ? 108 TRP C CD2 1 ATOM 8615 N NE1 . TRP C 1 108 ? 0.694 -5.042 7.860 1.00 11.20 ? 108 TRP C NE1 1 ATOM 8616 C CE2 . TRP C 1 108 ? 0.924 -6.027 8.784 1.00 10.11 ? 108 TRP C CE2 1 ATOM 8617 C CE3 . TRP C 1 108 ? 2.805 -7.179 9.771 1.00 9.26 ? 108 TRP C CE3 1 ATOM 8618 C CZ2 . TRP C 1 108 ? 0.023 -6.813 9.494 1.00 11.47 ? 108 TRP C CZ2 1 ATOM 8619 C CZ3 . TRP C 1 108 ? 1.895 -7.941 10.485 1.00 11.55 ? 108 TRP C CZ3 1 ATOM 8620 C CH2 . TRP C 1 108 ? 0.527 -7.733 10.346 1.00 10.02 ? 108 TRP C CH2 1 ATOM 8621 H H . TRP C 1 108 ? 4.691 -2.584 6.828 1.00 7.22 ? 108 TRP C H 1 ATOM 8622 H HA . TRP C 1 108 ? 4.723 -3.697 9.325 1.00 8.90 ? 108 TRP C HA 1 ATOM 8623 H HB2 . TRP C 1 108 ? 4.571 -5.072 6.835 1.00 9.59 ? 108 TRP C HB2 1 ATOM 8624 H HB3 . TRP C 1 108 ? 4.874 -5.810 8.208 1.00 9.59 ? 108 TRP C HB3 1 ATOM 8625 H HD1 . TRP C 1 108 ? 2.022 -3.884 6.782 1.00 12.92 ? 108 TRP C HD1 1 ATOM 8626 H HE1 . TRP C 1 108 ? -0.078 -4.747 7.624 1.00 13.43 ? 108 TRP C HE1 1 ATOM 8627 H HE3 . TRP C 1 108 ? 3.720 -7.315 9.871 1.00 11.10 ? 108 TRP C HE3 1 ATOM 8628 H HZ2 . TRP C 1 108 ? -0.894 -6.684 9.414 1.00 13.76 ? 108 TRP C HZ2 1 ATOM 8629 H HZ3 . TRP C 1 108 ? 2.203 -8.590 11.075 1.00 13.85 ? 108 TRP C HZ3 1 ATOM 8630 H HH2 . TRP C 1 108 ? -0.061 -8.263 10.835 1.00 12.01 ? 108 TRP C HH2 1 ATOM 8631 N N . ILE C 1 109 ? 7.212 -3.685 9.322 1.00 6.75 ? 109 ILE C N 1 ATOM 8632 C CA . ILE C 1 109 ? 8.661 -3.623 9.297 1.00 6.25 ? 109 ILE C CA 1 ATOM 8633 C C . ILE C 1 109 ? 9.189 -4.900 9.921 1.00 7.73 ? 109 ILE C C 1 ATOM 8634 O O . ILE C 1 109 ? 8.874 -5.234 11.064 1.00 8.48 ? 109 ILE C O 1 ATOM 8635 C CB . ILE C 1 109 ? 9.107 -2.398 10.086 1.00 8.15 ? 109 ILE C CB 1 ATOM 8636 C CG1 . ILE C 1 109 ? 8.544 -1.128 9.475 1.00 10.34 ? 109 ILE C CG1 1 ATOM 8637 C CG2 . ILE C 1 109 ? 10.602 -2.336 10.191 1.00 10.33 ? 109 ILE C CG2 1 ATOM 8638 C CD1 . ILE C 1 109 ? 8.983 -0.852 8.045 1.00 10.75 ? 109 ILE C CD1 1 ATOM 8639 H H . ILE C 1 109 ? 6.885 -3.688 10.118 1.00 8.08 ? 109 ILE C H 1 ATOM 8640 H HA . ILE C 1 109 ? 8.984 -3.553 8.375 1.00 7.49 ? 109 ILE C HA 1 ATOM 8641 H HB . ILE C 1 109 ? 8.750 -2.478 10.985 1.00 9.77 ? 109 ILE C HB 1 ATOM 8642 H HG12 . ILE C 1 109 ? 7.575 -1.187 9.477 1.00 12.40 ? 109 ILE C HG12 1 ATOM 8643 H HG13 . ILE C 1 109 ? 8.824 -0.374 10.018 1.00 12.40 ? 109 ILE C HG13 1 ATOM 8644 H HG21 . ILE C 1 109 ? 10.847 -1.555 10.693 1.00 12.38 ? 109 ILE C HG21 1 ATOM 8645 H HG22 . ILE C 1 109 ? 10.916 -3.125 10.639 1.00 12.38 ? 109 ILE C HG22 1 ATOM 8646 H HG23 . ILE C 1 109 ? 10.975 -2.290 9.308 1.00 12.38 ? 109 ILE C HG23 1 ATOM 8647 H HD11 . ILE C 1 109 ? 8.579 -0.034 7.747 1.00 12.89 ? 109 ILE C HD11 1 ATOM 8648 H HD12 . ILE C 1 109 ? 9.940 -0.773 8.023 1.00 12.89 ? 109 ILE C HD12 1 ATOM 8649 H HD13 . ILE C 1 109 ? 8.701 -1.580 7.487 1.00 12.89 ? 109 ILE C HD13 1 ATOM 8650 N N . ASN C 1 110 ? 9.973 -5.656 9.181 1.00 8.23 ? 110 ASN C N 1 ATOM 8651 C CA . ASN C 1 110 ? 10.465 -6.958 9.679 1.00 8.90 ? 110 ASN C CA 1 ATOM 8652 C C . ASN C 1 110 ? 9.348 -7.830 10.228 1.00 8.71 ? 110 ASN C C 1 ATOM 8653 O O . ASN C 1 110 ? 9.520 -8.496 11.286 1.00 12.53 ? 110 ASN C O 1 ATOM 8654 C CB . ASN C 1 110 ? 11.580 -6.775 10.702 1.00 11.17 ? 110 ASN C CB 1 ATOM 8655 C CG . ASN C 1 110 ? 12.751 -6.008 10.131 1.00 10.77 ? 110 ASN C CG 1 ATOM 8656 O OD1 . ASN C 1 110 ? 13.085 -6.171 8.959 1.00 10.63 ? 110 ASN C OD1 1 ATOM 8657 N ND2 . ASN C 1 110 ? 13.395 -5.222 10.945 1.00 13.95 ? 110 ASN C ND2 1 ATOM 8658 H H . ASN C 1 110 ? 10.242 -5.453 8.389 1.00 9.86 ? 110 ASN C H 1 ATOM 8659 H HA . ASN C 1 110 ? 10.853 -7.441 8.920 1.00 10.66 ? 110 ASN C HA 1 ATOM 8660 H HB2 . ASN C 1 110 ? 11.237 -6.280 11.462 1.00 13.39 ? 110 ASN C HB2 1 ATOM 8661 H HB3 . ASN C 1 110 ? 11.899 -7.646 10.986 1.00 13.39 ? 110 ASN C HB3 1 ATOM 8662 H HD21 . ASN C 1 110 ? 14.161 -4.704 10.622 1.00 16.73 ? 110 ASN C HD21 1 ATOM 8663 H HD22 . ASN C 1 110 ? 13.113 -5.149 11.881 1.00 16.73 ? 110 ASN C HD22 1 ATOM 8664 N N . GLY C 1 111 ? 8.217 -7.835 9.533 1.00 8.25 ? 111 GLY C N 1 ATOM 8665 C CA . GLY C 1 111 ? 7.112 -8.691 9.910 1.00 9.21 ? 111 GLY C CA 1 ATOM 8666 C C . GLY C 1 111 ? 6.292 -8.203 11.097 1.00 11.50 ? 111 GLY C C 1 ATOM 8667 O O . GLY C 1 111 ? 5.431 -8.945 11.555 1.00 14.39 ? 111 GLY C O 1 ATOM 8668 H H . GLY C 1 111 ? 8.068 -7.350 8.839 1.00 9.89 ? 111 GLY C H 1 ATOM 8669 H HA2 . GLY C 1 111 ? 6.513 -8.782 9.152 1.00 11.04 ? 111 GLY C HA2 1 ATOM 8670 H HA3 . GLY C 1 111 ? 7.456 -9.571 10.127 1.00 11.04 ? 111 GLY C HA3 1 ATOM 8671 N N . THR C 1 112 ? 6.545 -6.996 11.589 1.00 9.77 ? 112 THR C N 1 ATOM 8672 C CA . THR C 1 112 ? 5.804 -6.472 12.737 1.00 9.97 ? 112 THR C CA 1 ATOM 8673 C C . THR C 1 112 ? 4.991 -5.270 12.249 1.00 8.93 ? 112 THR C C 1 ATOM 8674 O O . THR C 1 112 ? 5.483 -4.395 11.537 1.00 8.63 ? 112 THR C O 1 ATOM 8675 C CB . THR C 1 112 ? 6.720 -6.061 13.864 1.00 16.24 ? 112 THR C CB 1 ATOM 8676 O OG1 . THR C 1 112 ? 7.516 -4.969 13.481 1.00 22.16 ? 112 THR C OG1 1 ATOM 8677 C CG2 . THR C 1 112 ? 7.627 -7.170 14.228 1.00 14.03 ? 112 THR C CG2 1 ATOM 8678 H H . THR C 1 112 ? 7.140 -6.458 11.278 1.00 11.71 ? 112 THR C H 1 ATOM 8679 H HA . THR C 1 112 ? 5.185 -7.155 13.070 1.00 11.95 ? 112 THR C HA 1 ATOM 8680 H HB . THR C 1 112 ? 6.193 -5.823 14.643 1.00 19.48 ? 112 THR C HB 1 ATOM 8681 H HG1 . THR C 1 112 ? 7.975 -5.170 12.832 1.00 26.58 ? 112 THR C HG1 1 ATOM 8682 H HG21 . THR C 1 112 ? 8.205 -6.899 14.945 1.00 16.83 ? 112 THR C HG21 1 ATOM 8683 H HG22 . THR C 1 112 ? 7.116 -7.932 14.511 1.00 16.83 ? 112 THR C HG22 1 ATOM 8684 H HG23 . THR C 1 112 ? 8.164 -7.417 13.471 1.00 16.83 ? 112 THR C HG23 1 ATOM 8685 N N . PRO C 1 113 ? 3.727 -5.198 12.656 1.00 7.08 ? 113 PRO C N 1 ATOM 8686 C CA . PRO C 1 113 ? 2.848 -4.147 12.129 1.00 7.88 ? 113 PRO C CA 1 ATOM 8687 C C . PRO C 1 113 ? 3.086 -2.837 12.878 1.00 7.59 ? 113 PRO C C 1 ATOM 8688 O O . PRO C 1 113 ? 3.198 -2.815 14.134 1.00 7.88 ? 113 PRO C O 1 ATOM 8689 C CB . PRO C 1 113 ? 1.453 -4.699 12.393 1.00 8.13 ? 113 PRO C CB 1 ATOM 8690 C CG . PRO C 1 113 ? 1.638 -5.585 13.637 1.00 9.78 ? 113 PRO C CG 1 ATOM 8691 C CD . PRO C 1 113 ? 3.011 -6.208 13.434 1.00 9.40 ? 113 PRO C CD 1 ATOM 8692 H HA . PRO C 1 113 ? 2.985 -4.019 11.167 1.00 9.44 ? 113 PRO C HA 1 ATOM 8693 H HB2 . PRO C 1 113 ? 0.838 -3.971 12.574 1.00 9.74 ? 113 PRO C HB2 1 ATOM 8694 H HB3 . PRO C 1 113 ? 1.157 -5.225 11.634 1.00 9.74 ? 113 PRO C HB3 1 ATOM 8695 H HG2 . PRO C 1 113 ? 1.619 -5.039 14.438 1.00 11.72 ? 113 PRO C HG2 1 ATOM 8696 H HG3 . PRO C 1 113 ? 0.948 -6.267 13.663 1.00 11.72 ? 113 PRO C HG3 1 ATOM 8697 H HD2 . PRO C 1 113 ? 3.448 -6.350 14.288 1.00 11.27 ? 113 PRO C HD2 1 ATOM 8698 H HD3 . PRO C 1 113 ? 2.937 -7.034 12.930 1.00 11.27 ? 113 PRO C HD3 1 ATOM 8699 N N . LEU C 1 114 ? 3.197 -1.745 12.119 1.00 6.62 ? 114 LEU C N 1 ATOM 8700 C CA . LEU C 1 114 ? 3.188 -0.408 12.696 1.00 6.89 ? 114 LEU C CA 1 ATOM 8701 C C . LEU C 1 114 ? 1.752 0.011 12.959 1.00 5.92 ? 114 LEU C C 1 ATOM 8702 O O . LEU C 1 114 ? 0.801 -0.650 12.576 1.00 7.45 ? 114 LEU C O 1 ATOM 8703 C CB . LEU C 1 114 ? 3.921 0.572 11.765 1.00 8.14 ? 114 LEU C CB 1 ATOM 8704 C CG . LEU C 1 114 ? 5.359 0.220 11.328 1.00 10.34 ? 114 LEU C CG 1 ATOM 8705 C CD1 . LEU C 1 114 ? 6.116 1.436 10.832 1.00 8.26 ? 114 LEU C CD1 1 ATOM 8706 C CD2 . LEU C 1 114 ? 6.121 -0.496 12.373 1.00 11.26 ? 114 LEU C CD2 1 ATOM 8707 H H . LEU C 1 114 ? 3.280 -1.756 11.263 1.00 7.94 ? 114 LEU C H 1 ATOM 8708 H HA . LEU C 1 114 ? 3.663 -0.425 13.553 1.00 8.25 ? 114 LEU C HA 1 ATOM 8709 H HB2 . LEU C 1 114 ? 3.395 0.662 10.955 1.00 9.75 ? 114 LEU C HB2 1 ATOM 8710 H HB3 . LEU C 1 114 ? 3.964 1.431 12.212 1.00 9.75 ? 114 LEU C HB3 1 ATOM 8711 H HG . LEU C 1 114 ? 5.292 -0.387 10.574 1.00 12.39 ? 114 LEU C HG 1 ATOM 8712 H HD11 . LEU C 1 114 ? 7.001 1.169 10.574 1.00 9.90 ? 114 LEU C HD11 1 ATOM 8713 H HD12 . LEU C 1 114 ? 5.652 1.807 10.078 1.00 9.90 ? 114 LEU C HD12 1 ATOM 8714 H HD13 . LEU C 1 114 ? 6.163 2.084 11.539 1.00 9.90 ? 114 LEU C HD13 1 ATOM 8715 H HD21 . LEU C 1 114 ? 7.002 -0.685 12.041 1.00 13.50 ? 114 LEU C HD21 1 ATOM 8716 H HD22 . LEU C 1 114 ? 6.177 0.059 13.154 1.00 13.50 ? 114 LEU C HD22 1 ATOM 8717 H HD23 . LEU C 1 114 ? 5.668 -1.315 12.584 1.00 13.50 ? 114 LEU C HD23 1 ATOM 8718 N N . VAL C 1 115 ? 1.587 1.136 13.614 1.00 6.76 ? 115 VAL C N 1 ATOM 8719 C CA A VAL C 1 115 ? 0.256 1.697 13.829 0.96 6.50 ? 115 VAL C CA 1 ATOM 8720 C CA B VAL C 1 115 ? 0.254 1.659 13.836 0.04 6.42 ? 115 VAL C CA 1 ATOM 8721 C C . VAL C 1 115 ? -0.352 2.051 12.496 1.00 6.19 ? 115 VAL C C 1 ATOM 8722 O O . VAL C 1 115 ? 0.291 2.730 11.673 1.00 6.84 ? 115 VAL C O 1 ATOM 8723 C CB A VAL C 1 115 ? 0.346 2.941 14.718 0.96 6.08 ? 115 VAL C CB 1 ATOM 8724 C CB B VAL C 1 115 ? 0.263 2.873 14.776 0.04 6.64 ? 115 VAL C CB 1 ATOM 8725 C CG1 A VAL C 1 115 ? -1.060 3.545 14.925 0.96 7.73 ? 115 VAL C CG1 1 ATOM 8726 C CG1 B VAL C 1 115 ? 1.113 3.979 14.195 0.04 6.02 ? 115 VAL C CG1 1 ATOM 8727 C CG2 A VAL C 1 115 ? 0.992 2.595 16.101 0.96 7.42 ? 115 VAL C CG2 1 ATOM 8728 C CG2 B VAL C 1 115 ? -1.161 3.357 15.030 0.04 7.10 ? 115 VAL C CG2 1 ATOM 8729 H H A VAL C 1 115 ? 2.226 1.604 13.949 0.96 8.10 ? 115 VAL C H 1 ATOM 8730 H H B VAL C 1 115 ? 2.222 1.617 13.939 0.04 8.10 ? 115 VAL C H 1 ATOM 8731 H HA A VAL C 1 115 ? -0.315 1.035 14.270 0.96 7.79 ? 115 VAL C HA 1 ATOM 8732 H HA B VAL C 1 115 ? -0.306 0.962 14.237 0.04 7.69 ? 115 VAL C HA 1 ATOM 8733 H HB A VAL C 1 115 ? 0.906 3.614 14.277 0.96 7.29 ? 115 VAL C HB 1 ATOM 8734 H HB B VAL C 1 115 ? 0.652 2.610 15.636 0.04 7.96 ? 115 VAL C HB 1 ATOM 8735 H HG11 A VAL C 1 115 ? -0.986 4.322 15.483 0.96 9.27 ? 115 VAL C HG11 1 ATOM 8736 H HG11 B VAL C 1 115 ? 1.106 4.727 14.796 0.04 7.21 ? 115 VAL C HG11 1 ATOM 8737 H HG12 A VAL C 1 115 ? -1.424 3.788 14.071 0.96 9.27 ? 115 VAL C HG12 1 ATOM 8738 H HG12 B VAL C 1 115 ? 2.010 3.657 14.083 0.04 7.21 ? 115 VAL C HG12 1 ATOM 8739 H HG13 A VAL C 1 115 ? -1.621 2.890 15.347 0.96 9.27 ? 115 VAL C HG13 1 ATOM 8740 H HG13 B VAL C 1 115 ? 0.749 4.238 13.345 0.04 7.21 ? 115 VAL C HG13 1 ATOM 8741 H HG21 A VAL C 1 115 ? 1.034 3.392 16.634 0.96 8.89 ? 115 VAL C HG21 1 ATOM 8742 H HG21 B VAL C 1 115 ? -1.132 4.115 15.619 0.04 8.51 ? 115 VAL C HG21 1 ATOM 8743 H HG22 A VAL C 1 115 ? 0.452 1.935 16.542 0.96 8.89 ? 115 VAL C HG22 1 ATOM 8744 H HG22 B VAL C 1 115 ? -1.559 3.608 14.193 0.04 8.51 ? 115 VAL C HG22 1 ATOM 8745 H HG23 A VAL C 1 115 ? 1.876 2.251 15.955 0.96 8.89 ? 115 VAL C HG23 1 ATOM 8746 H HG23 B VAL C 1 115 ? -1.665 2.647 15.434 0.04 8.51 ? 115 VAL C HG23 1 ATOM 8747 N N . LYS C 1 116 ? -1.580 1.624 12.284 1.00 7.33 ? 116 LYS C N 1 ATOM 8748 C CA . LYS C 1 116 ? -2.323 2.012 11.069 1.00 7.10 ? 116 LYS C CA 1 ATOM 8749 C C . LYS C 1 116 ? -2.598 3.504 11.024 1.00 9.81 ? 116 LYS C C 1 ATOM 8750 O O . LYS C 1 116 ? -2.847 4.119 12.050 1.00 9.45 ? 116 LYS C O 1 ATOM 8751 C CB . LYS C 1 116 ? -3.646 1.298 11.013 1.00 7.89 ? 116 LYS C CB 1 ATOM 8752 C CG . LYS C 1 116 ? -3.552 -0.183 10.624 1.00 9.91 ? 116 LYS C CG 1 ATOM 8753 C CD . LYS C 1 116 ? -4.923 -0.890 10.842 1.00 13.24 ? 116 LYS C CD 1 ATOM 8754 C CE . LYS C 1 116 ? -5.086 -2.211 10.146 1.00 16.87 ? 116 LYS C CE 1 ATOM 8755 N NZ . LYS C 1 116 ? -4.249 -3.242 10.796 1.00 13.77 ? 116 LYS C NZ 1 ATOM 8756 H H . LYS C 1 116 ? -2.017 1.110 12.817 1.00 8.79 ? 116 LYS C H 1 ATOM 8757 H HA . LYS C 1 116 ? -1.803 1.767 10.275 1.00 8.51 ? 116 LYS C HA 1 ATOM 8758 H HB2 . LYS C 1 116 ? -4.062 1.347 11.887 1.00 9.46 ? 116 LYS C HB2 1 ATOM 8759 H HB3 . LYS C 1 116 ? -4.209 1.739 10.357 1.00 9.46 ? 116 LYS C HB3 1 ATOM 8760 H HG2 . LYS C 1 116 ? -3.313 -0.257 9.687 1.00 11.88 ? 116 LYS C HG2 1 ATOM 8761 H HG3 . LYS C 1 116 ? -2.888 -0.622 11.180 1.00 11.88 ? 116 LYS C HG3 1 ATOM 8762 H HD2 . LYS C 1 116 ? -5.041 -1.045 11.792 1.00 15.87 ? 116 LYS C HD2 1 ATOM 8763 H HD3 . LYS C 1 116 ? -5.625 -0.303 10.520 1.00 15.87 ? 116 LYS C HD3 1 ATOM 8764 H HE2 . LYS C 1 116 ? -6.013 -2.491 10.196 1.00 20.23 ? 116 LYS C HE2 1 ATOM 8765 H HE3 . LYS C 1 116 ? -4.806 -2.127 9.221 1.00 20.23 ? 116 LYS C HE3 1 ATOM 8766 H HZ1 . LYS C 1 116 ? -3.325 -2.985 10.759 1.00 16.51 ? 116 LYS C HZ1 1 ATOM 8767 H HZ2 . LYS C 1 116 ? -4.509 -3.342 11.715 1.00 16.51 ? 116 LYS C HZ2 1 ATOM 8768 H HZ3 . LYS C 1 116 ? -4.358 -4.083 10.347 1.00 16.51 ? 116 LYS C HZ3 1 ATOM 8769 N N . LYS C 1 117 ? -2.521 4.075 9.824 1.00 7.35 ? 117 LYS C N 1 ATOM 8770 C CA . LYS C 1 117 ? -2.878 5.490 9.601 1.00 6.99 ? 117 LYS C CA 1 ATOM 8771 C C . LYS C 1 117 ? -3.804 5.506 8.407 1.00 10.10 ? 117 LYS C C 1 ATOM 8772 O O . LYS C 1 117 ? -4.066 4.447 7.815 1.00 10.67 ? 117 LYS C O 1 ATOM 8773 C CB . LYS C 1 117 ? -1.646 6.355 9.344 1.00 9.47 ? 117 LYS C CB 1 ATOM 8774 C CG . LYS C 1 117 ? -0.622 6.320 10.482 1.00 7.39 ? 117 LYS C CG 1 ATOM 8775 C CD . LYS C 1 117 ? -1.148 6.940 11.783 1.00 7.86 ? 117 LYS C CD 1 ATOM 8776 C CE . LYS C 1 117 ? -0.257 6.636 12.979 1.00 8.75 ? 117 LYS C CE 1 ATOM 8777 N NZ . LYS C 1 117 ? 1.096 7.280 12.857 1.00 9.40 ? 117 LYS C NZ 1 ATOM 8778 H H . LYS C 1 117 ? -2.265 3.666 9.112 1.00 8.80 ? 117 LYS C H 1 ATOM 8779 H HA . LYS C 1 117 ? -3.357 5.841 10.380 1.00 8.38 ? 117 LYS C HA 1 ATOM 8780 H HB2 . LYS C 1 117 ? -1.205 6.042 8.538 1.00 11.36 ? 117 LYS C HB2 1 ATOM 8781 H HB3 . LYS C 1 117 ? -1.928 7.276 9.227 1.00 11.36 ? 117 LYS C HB3 1 ATOM 8782 H HG2 . LYS C 1 117 ? -0.386 5.397 10.665 1.00 8.86 ? 117 LYS C HG2 1 ATOM 8783 H HG3 . LYS C 1 117 ? 0.167 6.816 10.212 1.00 8.86 ? 117 LYS C HG3 1 ATOM 8784 H HD2 . LYS C 1 117 ? -1.193 7.903 11.679 1.00 9.42 ? 117 LYS C HD2 1 ATOM 8785 H HD3 . LYS C 1 117 ? -2.031 6.584 11.968 1.00 9.42 ? 117 LYS C HD3 1 ATOM 8786 H HE2 . LYS C 1 117 ? -0.680 6.972 13.785 1.00 10.49 ? 117 LYS C HE2 1 ATOM 8787 H HE3 . LYS C 1 117 ? -0.129 5.676 13.045 1.00 10.49 ? 117 LYS C HE3 1 ATOM 8788 H HZ1 . LYS C 1 117 ? 1.630 7.068 13.626 1.00 11.26 ? 117 LYS C HZ1 1 ATOM 8789 H HZ2 . LYS C 1 117 ? 1.542 6.960 12.069 1.00 11.26 ? 117 LYS C HZ2 1 ATOM 8790 H HZ3 . LYS C 1 117 ? 1.001 8.233 12.796 1.00 11.26 ? 117 LYS C HZ3 1 ATOM 8791 N N . GLY C 1 118 ? -4.389 6.661 8.098 1.00 7.74 ? 118 GLY C N 1 ATOM 8792 C CA . GLY C 1 118 ? -5.311 6.717 6.976 1.00 8.24 ? 118 GLY C CA 1 ATOM 8793 C C . GLY C 1 118 ? -5.217 8.014 6.219 1.00 9.49 ? 118 GLY C C 1 ATOM 8794 O O . GLY C 1 118 ? -4.966 9.084 6.787 1.00 10.47 ? 118 GLY C O 1 ATOM 8795 H H . GLY C 1 118 ? -4.272 7.406 8.512 1.00 9.28 ? 118 GLY C H 1 ATOM 8796 H HA2 . GLY C 1 118 ? -5.118 5.989 6.363 1.00 9.88 ? 118 GLY C HA2 1 ATOM 8797 H HA3 . GLY C 1 118 ? -6.220 6.614 7.299 1.00 9.88 ? 118 GLY C HA3 1 ATOM 8798 N N . LEU C 1 119 ? -5.421 7.893 4.920 1.00 7.76 ? 119 LEU C N 1 ATOM 8799 C CA . LEU C 1 119 ? -5.381 9.054 4.035 1.00 8.67 ? 119 LEU C CA 1 ATOM 8800 C C . LEU C 1 119 ? -6.091 8.724 2.730 1.00 8.93 ? 119 LEU C C 1 ATOM 8801 O O . LEU C 1 119 ? -6.160 7.572 2.302 1.00 8.29 ? 119 LEU C O 1 ATOM 8802 C CB . LEU C 1 119 ? -3.943 9.470 3.723 1.00 8.86 ? 119 LEU C CB 1 ATOM 8803 C CG . LEU C 1 119 ? -3.112 8.577 2.761 1.00 8.15 ? 119 LEU C CG 1 ATOM 8804 C CD1 . LEU C 1 119 ? -1.805 9.257 2.372 1.00 10.13 ? 119 LEU C CD1 1 ATOM 8805 C CD2 . LEU C 1 119 ? -2.801 7.170 3.356 1.00 8.96 ? 119 LEU C CD2 1 ATOM 8806 H H . LEU C 1 119 ? -5.584 7.149 4.520 1.00 9.30 ? 119 LEU C H 1 ATOM 8807 H HA . LEU C 1 119 ? -5.841 9.809 4.460 1.00 10.39 ? 119 LEU C HA 1 ATOM 8808 H HB2 . LEU C 1 119 ? -3.968 10.357 3.331 1.00 10.62 ? 119 LEU C HB2 1 ATOM 8809 H HB3 . LEU C 1 119 ? -3.457 9.509 4.561 1.00 10.62 ? 119 LEU C HB3 1 ATOM 8810 H HG . LEU C 1 119 ? -3.624 8.442 1.948 1.00 9.77 ? 119 LEU C HG 1 ATOM 8811 H HD11 . LEU C 1 119 ? -1.317 8.680 1.779 1.00 12.15 ? 119 LEU C HD11 1 ATOM 8812 H HD12 . LEU C 1 119 ? -2.003 10.087 1.932 1.00 12.15 ? 119 LEU C HD12 1 ATOM 8813 H HD13 . LEU C 1 119 ? -1.290 9.422 3.166 1.00 12.15 ? 119 LEU C HD13 1 ATOM 8814 H HD21 . LEU C 1 119 ? -2.288 6.668 2.718 1.00 10.74 ? 119 LEU C HD21 1 ATOM 8815 H HD22 . LEU C 1 119 ? -2.300 7.278 4.167 1.00 10.74 ? 119 LEU C HD22 1 ATOM 8816 H HD23 . LEU C 1 119 ? -3.628 6.718 3.539 1.00 10.74 ? 119 LEU C HD23 1 ATOM 8817 N N . ARG C 1 120 ? -6.623 9.768 2.100 1.00 9.76 ? 120 ARG C N 1 ATOM 8818 C CA . ARG C 1 120 ? -7.137 9.657 0.747 1.00 8.41 ? 120 ARG C CA 1 ATOM 8819 C C . ARG C 1 120 ? -8.246 8.632 0.564 1.00 8.94 ? 120 ARG C C 1 ATOM 8820 O O . ARG C 1 120 ? -8.335 7.992 -0.477 1.00 10.40 ? 120 ARG C O 1 ATOM 8821 C CB . ARG C 1 120 ? -5.991 9.441 -0.236 1.00 10.01 ? 120 ARG C CB 1 ATOM 8822 C CG . ARG C 1 120 ? -5.075 10.604 -0.346 1.00 15.44 ? 120 ARG C CG 1 ATOM 8823 C CD . ARG C 1 120 ? -5.844 11.597 -1.153 1.00 30.32 ? 120 ARG C CD 1 ATOM 8824 N NE . ARG C 1 120 ? -5.061 12.343 -2.101 1.00 19.10 ? 120 ARG C NE 1 ATOM 8825 C CZ . ARG C 1 120 ? -5.635 13.172 -2.991 1.00 17.52 ? 120 ARG C CZ 1 ATOM 8826 N NH1 . ARG C 1 120 ? -6.949 13.325 -3.030 1.00 23.33 ? 120 ARG C NH1 1 ATOM 8827 N NH2 . ARG C 1 120 ? -4.903 13.856 -3.807 1.00 15.21 ? 120 ARG C NH2 1 ATOM 8828 H H . ARG C 1 120 ? -6.696 10.555 2.440 1.00 11.70 ? 120 ARG C H 1 ATOM 8829 H HA . ARG C 1 120 ? -7.532 10.524 0.518 1.00 10.08 ? 120 ARG C HA 1 ATOM 8830 H HB2 . ARG C 1 120 ? -5.469 8.677 0.055 1.00 12.00 ? 120 ARG C HB2 1 ATOM 8831 H HB3 . ARG C 1 120 ? -6.362 9.270 -1.116 1.00 12.00 ? 120 ARG C HB3 1 ATOM 8832 H HG2 . ARG C 1 120 ? -4.883 10.975 0.530 1.00 18.52 ? 120 ARG C HG2 1 ATOM 8833 H HG3 . ARG C 1 120 ? -4.264 10.358 -0.819 1.00 18.52 ? 120 ARG C HG3 1 ATOM 8834 H HD2 . ARG C 1 120 ? -6.531 11.125 -1.649 1.00 36.37 ? 120 ARG C HD2 1 ATOM 8835 H HD3 . ARG C 1 120 ? -6.257 12.233 -0.549 1.00 36.37 ? 120 ARG C HD3 1 ATOM 8836 H HE . ARG C 1 120 ? -4.115 12.458 -1.918 1.00 22.90 ? 120 ARG C HE 1 ATOM 8837 H HH11 . ARG C 1 120 ? -7.450 12.886 -2.486 1.00 27.99 ? 120 ARG C HH11 1 ATOM 8838 H HH12 . ARG C 1 120 ? -7.303 13.858 -3.605 1.00 27.99 ? 120 ARG C HH12 1 ATOM 8839 H HH21 . ARG C 1 120 ? -4.048 13.765 -3.796 1.00 18.24 ? 120 ARG C HH21 1 ATOM 8840 H HH22 . ARG C 1 120 ? -5.273 14.378 -4.381 1.00 18.24 ? 120 ARG C HH22 1 ATOM 8841 N N . GLN C 1 121 ? -9.106 8.473 1.562 1.00 11.11 ? 121 GLN C N 1 ATOM 8842 C CA . GLN C 1 121 ? -10.232 7.577 1.424 1.00 10.42 ? 121 GLN C CA 1 ATOM 8843 C C . GLN C 1 121 ? -11.060 7.966 0.192 1.00 10.69 ? 121 GLN C C 1 ATOM 8844 O O . GLN C 1 121 ? -11.383 9.162 -0.003 1.00 12.88 ? 121 GLN C O 1 ATOM 8845 C CB . GLN C 1 121 ? -11.094 7.621 2.691 1.00 11.91 ? 121 GLN C CB 1 ATOM 8846 C CG . GLN C 1 121 ? -12.297 6.720 2.667 1.00 11.56 ? 121 GLN C CG 1 ATOM 8847 C CD . GLN C 1 121 ? -13.108 6.763 3.933 1.00 11.33 ? 121 GLN C CD 1 ATOM 8848 O OE1 . GLN C 1 121 ? -13.212 7.822 4.593 1.00 16.65 ? 121 GLN C OE1 1 ATOM 8849 N NE2 . GLN C 1 121 ? -13.704 5.639 4.283 1.00 15.58 ? 121 GLN C NE2 1 ATOM 8850 H H . GLN C 1 121 ? -9.057 8.873 2.322 1.00 13.32 ? 121 GLN C H 1 ATOM 8851 H HA . GLN C 1 121 ? -9.906 6.660 1.302 1.00 12.49 ? 121 GLN C HA 1 ATOM 8852 H HB2 . GLN C 1 121 ? -10.545 7.358 3.447 1.00 14.28 ? 121 GLN C HB2 1 ATOM 8853 H HB3 . GLN C 1 121 ? -11.410 8.529 2.818 1.00 14.28 ? 121 GLN C HB3 1 ATOM 8854 H HG2 . GLN C 1 121 ? -12.875 6.987 1.935 1.00 13.86 ? 121 GLN C HG2 1 ATOM 8855 H HG3 . GLN C 1 121 ? -12.001 5.805 2.535 1.00 13.86 ? 121 GLN C HG3 1 ATOM 8856 H HE21 . GLN C 1 121 ? -14.180 5.609 4.999 1.00 18.68 ? 121 GLN C HE21 1 ATOM 8857 H HE22 . GLN C 1 121 ? -13.616 4.936 3.796 1.00 18.68 ? 121 GLN C HE22 1 ATOM 8858 N N . GLY C 1 122 ? -11.327 6.966 -0.639 1.00 9.60 ? 122 GLY C N 1 ATOM 8859 C CA . GLY C 1 122 ? -12.091 7.132 -1.868 1.00 10.95 ? 122 GLY C CA 1 ATOM 8860 C C . GLY C 1 122 ? -11.281 7.478 -3.107 1.00 12.63 ? 122 GLY C C 1 ATOM 8861 O O . GLY C 1 122 ? -11.803 7.439 -4.229 1.00 17.05 ? 122 GLY C O 1 ATOM 8862 H H . GLY C 1 122 ? -11.068 6.157 -0.508 1.00 11.51 ? 122 GLY C H 1 ATOM 8863 H HA2 . GLY C 1 122 ? -12.573 6.310 -2.049 1.00 13.13 ? 122 GLY C HA2 1 ATOM 8864 H HA3 . GLY C 1 122 ? -12.745 7.837 -1.736 1.00 13.13 ? 122 GLY C HA3 1 ATOM 8865 N N . TYR C 1 123 ? -10.008 7.809 -2.933 1.00 10.84 ? 123 TYR C N 1 ATOM 8866 C CA . TYR C 1 123 ? -9.127 8.168 -4.039 1.00 9.30 ? 123 TYR C CA 1 ATOM 8867 C C . TYR C 1 123 ? -8.694 6.926 -4.822 1.00 10.86 ? 123 TYR C C 1 ATOM 8868 O O . TYR C 1 123 ? -8.654 5.824 -4.274 1.00 12.15 ? 123 TYR C O 1 ATOM 8869 C CB . TYR C 1 123 ? -7.881 8.838 -3.450 1.00 11.17 ? 123 TYR C CB 1 ATOM 8870 C CG . TYR C 1 123 ? -6.919 9.411 -4.451 1.00 12.42 ? 123 TYR C CG 1 ATOM 8871 C CD1 . TYR C 1 123 ? -7.265 10.536 -5.208 1.00 13.31 ? 123 TYR C CD1 1 ATOM 8872 C CD2 . TYR C 1 123 ? -5.667 8.840 -4.660 1.00 11.44 ? 123 TYR C CD2 1 ATOM 8873 C CE1 . TYR C 1 123 ? -6.386 11.083 -6.130 1.00 12.80 ? 123 TYR C CE1 1 ATOM 8874 C CE2 . TYR C 1 123 ? -4.779 9.375 -5.573 1.00 10.36 ? 123 TYR C CE2 1 ATOM 8875 C CZ . TYR C 1 123 ? -5.148 10.481 -6.320 1.00 13.94 ? 123 TYR C CZ 1 ATOM 8876 O OH . TYR C 1 123 ? -4.301 11.015 -7.240 1.00 13.79 ? 123 TYR C OH 1 ATOM 8877 H H . TYR C 1 123 ? -9.621 7.833 -2.165 1.00 13.00 ? 123 TYR C H 1 ATOM 8878 H HA . TYR C 1 123 ? -9.577 8.794 -4.645 1.00 11.15 ? 123 TYR C HA 1 ATOM 8879 H HB2 . TYR C 1 123 ? -8.167 9.564 -2.873 1.00 13.39 ? 123 TYR C HB2 1 ATOM 8880 H HB3 . TYR C 1 123 ? -7.397 8.180 -2.926 1.00 13.39 ? 123 TYR C HB3 1 ATOM 8881 H HD1 . TYR C 1 123 ? -8.098 10.931 -5.082 1.00 15.96 ? 123 TYR C HD1 1 ATOM 8882 H HD2 . TYR C 1 123 ? -5.418 8.093 -4.165 1.00 13.72 ? 123 TYR C HD2 1 ATOM 8883 H HE1 . TYR C 1 123 ? -6.632 11.825 -6.634 1.00 15.35 ? 123 TYR C HE1 1 ATOM 8884 H HE2 . TYR C 1 123 ? -3.950 8.976 -5.707 1.00 12.42 ? 123 TYR C HE2 1 ATOM 8885 H HH . TYR C 1 123 ? -4.130 10.459 -7.818 1.00 16.53 ? 123 TYR C HH 1 ATOM 8886 N N . PHE C 1 124 ? -8.376 7.108 -6.105 1.00 11.21 ? 124 PHE C N 1 ATOM 8887 C CA . PHE C 1 124 ? -7.750 6.067 -6.910 1.00 14.41 ? 124 PHE C CA 1 ATOM 8888 C C . PHE C 1 124 ? -6.362 6.558 -7.329 1.00 11.10 ? 124 PHE C C 1 ATOM 8889 O O . PHE C 1 124 ? -6.217 7.659 -7.921 1.00 14.07 ? 124 PHE C O 1 ATOM 8890 C CB . PHE C 1 124 ? -8.586 5.782 -8.182 1.00 15.01 ? 124 PHE C CB 1 ATOM 8891 C CG . PHE C 1 124 ? -9.900 5.061 -7.942 1.00 22.90 ? 124 PHE C CG 1 ATOM 8892 C CD1 . PHE C 1 124 ? -10.369 4.805 -6.678 1.00 25.55 ? 124 PHE C CD1 1 ATOM 8893 C CD2 . PHE C 1 124 ? -10.651 4.629 -9.024 1.00 44.78 ? 124 PHE C CD2 1 ATOM 8894 C CE1 . PHE C 1 124 ? -11.575 4.143 -6.482 1.00 36.14 ? 124 PHE C CE1 1 ATOM 8895 C CE2 . PHE C 1 124 ? -11.850 3.969 -8.841 1.00 41.23 ? 124 PHE C CE2 1 ATOM 8896 C CZ . PHE C 1 124 ? -12.311 3.726 -7.565 1.00 34.63 ? 124 PHE C CZ 1 ATOM 8897 H H . PHE C 1 124 ? -8.517 7.839 -6.536 1.00 13.44 ? 124 PHE C H 1 ATOM 8898 H HA . PHE C 1 124 ? -7.659 5.242 -6.389 1.00 17.28 ? 124 PHE C HA 1 ATOM 8899 H HB2 . PHE C 1 124 ? -8.792 6.628 -8.611 1.00 18.00 ? 124 PHE C HB2 1 ATOM 8900 H HB3 . PHE C 1 124 ? -8.057 5.234 -8.782 1.00 18.00 ? 124 PHE C HB3 1 ATOM 8901 H HD1 . PHE C 1 124 ? -9.877 5.087 -5.941 1.00 30.65 ? 124 PHE C HD1 1 ATOM 8902 H HD2 . PHE C 1 124 ? -10.346 4.793 -9.887 1.00 53.73 ? 124 PHE C HD2 1 ATOM 8903 H HE1 . PHE C 1 124 ? -11.883 3.980 -5.620 1.00 43.35 ? 124 PHE C HE1 1 ATOM 8904 H HE2 . PHE C 1 124 ? -12.345 3.689 -9.577 1.00 49.46 ? 124 PHE C HE2 1 ATOM 8905 H HZ . PHE C 1 124 ? -13.117 3.280 -7.438 1.00 41.55 ? 124 PHE C HZ 1 ATOM 8906 N N . VAL C 1 125 ? -5.327 5.761 -7.053 1.00 11.78 ? 125 VAL C N 1 ATOM 8907 C CA . VAL C 1 125 ? -3.982 6.118 -7.507 1.00 10.27 ? 125 VAL C CA 1 ATOM 8908 C C . VAL C 1 125 ? -3.939 6.041 -9.035 1.00 12.05 ? 125 VAL C C 1 ATOM 8909 O O . VAL C 1 125 ? -4.346 5.034 -9.629 1.00 12.94 ? 125 VAL C O 1 ATOM 8910 C CB . VAL C 1 125 ? -2.957 5.152 -6.866 1.00 12.12 ? 125 VAL C CB 1 ATOM 8911 C CG1 . VAL C 1 125 ? -1.580 5.268 -7.487 1.00 12.26 ? 125 VAL C CG1 1 ATOM 8912 C CG2 . VAL C 1 125 ? -2.892 5.415 -5.336 1.00 14.18 ? 125 VAL C CG2 1 ATOM 8913 H H . VAL C 1 125 ? -5.375 5.023 -6.613 1.00 14.13 ? 125 VAL C H 1 ATOM 8914 H HA . VAL C 1 125 ? -3.769 7.033 -7.230 1.00 12.31 ? 125 VAL C HA 1 ATOM 8915 H HB . VAL C 1 125 ? -3.266 4.231 -6.998 1.00 14.53 ? 125 VAL C HB 1 ATOM 8916 H HG11 . VAL C 1 125 ? -0.989 4.649 -7.053 1.00 14.70 ? 125 VAL C HG11 1 ATOM 8917 H HG12 . VAL C 1 125 ? -1.642 5.062 -8.423 1.00 14.70 ? 125 VAL C HG12 1 ATOM 8918 H HG13 . VAL C 1 125 ? -1.260 6.165 -7.370 1.00 14.70 ? 125 VAL C HG13 1 ATOM 8919 H HG21 . VAL C 1 125 ? -2.255 4.814 -4.942 1.00 17.01 ? 125 VAL C HG21 1 ATOM 8920 H HG22 . VAL C 1 125 ? -2.621 6.323 -5.186 1.00 17.01 ? 125 VAL C HG22 1 ATOM 8921 H HG23 . VAL C 1 125 ? -3.762 5.265 -4.957 1.00 17.01 ? 125 VAL C HG23 1 ATOM 8922 N N . GLU C 1 126 ? -3.446 7.087 -9.674 1.00 11.34 ? 126 GLU C N 1 ATOM 8923 C CA . GLU C 1 126 ? -3.499 7.124 -11.129 1.00 11.99 ? 126 GLU C CA 1 ATOM 8924 C C . GLU C 1 126 ? -2.617 6.107 -11.793 1.00 15.06 ? 126 GLU C C 1 ATOM 8925 O O . GLU C 1 126 ? -1.606 5.666 -11.244 1.00 14.18 ? 126 GLU C O 1 ATOM 8926 C CB . GLU C 1 126 ? -3.190 8.531 -11.626 1.00 14.73 ? 126 GLU C CB 1 ATOM 8927 C CG . GLU C 1 126 ? -4.212 9.564 -11.137 1.00 25.01 ? 126 GLU C CG 1 ATOM 8928 C CD . GLU C 1 126 ? -4.888 10.353 -12.246 1.00 45.64 ? 126 GLU C CD 1 ATOM 8929 O OE1 . GLU C 1 126 ? -5.343 11.505 -11.970 1.00 34.00 ? 126 GLU C OE1 1 ATOM 8930 O OE2 . GLU C 1 126 ? -4.986 9.813 -13.371 1.00 45.42 ? 126 GLU C OE2 1 ATOM 8931 H H . GLU C 1 126 ? -3.083 7.774 -9.304 1.00 13.60 ? 126 GLU C H 1 ATOM 8932 H HA . GLU C 1 126 ? -4.419 6.921 -11.401 1.00 14.37 ? 126 GLU C HA 1 ATOM 8933 H HB2 . GLU C 1 126 ? -2.315 8.797 -11.301 1.00 17.66 ? 126 GLU C HB2 1 ATOM 8934 H HB3 . GLU C 1 126 ? -3.200 8.534 -12.596 1.00 17.66 ? 126 GLU C HB3 1 ATOM 8935 H HG2 . GLU C 1 126 ? -4.905 9.103 -10.639 1.00 30.01 ? 126 GLU C HG2 1 ATOM 8936 H HG3 . GLU C 1 126 ? -3.760 10.198 -10.558 1.00 30.01 ? 126 GLU C HG3 1 ATOM 8937 N N . ALA C 1 127 ? -3.022 5.729 -13.000 1.00 16.80 ? 127 ALA C N 1 ATOM 8938 C CA . ALA C 1 127 ? -2.309 4.727 -13.766 1.00 15.11 ? 127 ALA C CA 1 ATOM 8939 C C . ALA C 1 127 ? -1.235 5.321 -14.673 1.00 11.79 ? 127 ALA C C 1 ATOM 8940 O O . ALA C 1 127 ? -0.942 6.517 -14.659 1.00 15.42 ? 127 ALA C O 1 ATOM 8941 C CB . ALA C 1 127 ? -3.328 3.902 -14.612 1.00 23.49 ? 127 ALA C CB 1 ATOM 8942 H H . ALA C 1 127 ? -3.716 6.044 -13.399 1.00 20.15 ? 127 ALA C H 1 ATOM 8943 H HA . ALA C 1 127 ? -1.868 4.111 -13.145 1.00 18.12 ? 127 ALA C HA 1 ATOM 8944 H HB1 . ALA C 1 127 ? -2.850 3.240 -15.117 1.00 28.17 ? 127 ALA C HB1 1 ATOM 8945 H HB2 . ALA C 1 127 ? -3.952 3.476 -14.020 1.00 28.17 ? 127 ALA C HB2 1 ATOM 8946 H HB3 . ALA C 1 127 ? -3.793 4.496 -15.206 1.00 28.17 ? 127 ALA C HB3 1 ATOM 8947 N N . GLN C 1 128 ? -0.630 4.433 -15.460 1.00 15.22 ? 128 GLN C N 1 ATOM 8948 C CA A GLN C 1 128 ? 0.463 4.781 -16.371 0.55 13.83 ? 128 GLN C CA 1 ATOM 8949 C CA B GLN C 1 128 ? 0.464 4.788 -16.367 0.45 14.10 ? 128 GLN C CA 1 ATOM 8950 C C . GLN C 1 128 ? 1.618 5.495 -15.647 1.00 11.87 ? 128 GLN C C 1 ATOM 8951 O O . GLN C 1 128 ? 2.035 6.574 -16.005 1.00 14.68 ? 128 GLN C O 1 ATOM 8952 C CB A GLN C 1 128 ? -0.051 5.588 -17.583 0.55 16.83 ? 128 GLN C CB 1 ATOM 8953 C CB B GLN C 1 128 ? -0.041 5.624 -17.553 0.45 17.18 ? 128 GLN C CB 1 ATOM 8954 C CG A GLN C 1 128 ? -1.119 4.859 -18.408 0.55 20.38 ? 128 GLN C CG 1 ATOM 8955 C CG B GLN C 1 128 ? -0.891 4.846 -18.546 0.45 21.27 ? 128 GLN C CG 1 ATOM 8956 C CD A GLN C 1 128 ? -1.369 5.491 -19.774 0.55 31.44 ? 128 GLN C CD 1 ATOM 8957 C CD B GLN C 1 128 ? -2.363 4.850 -18.195 0.45 25.36 ? 128 GLN C CD 1 ATOM 8958 O OE1 A GLN C 1 128 ? -1.175 6.690 -19.973 0.55 34.74 ? 128 GLN C OE1 1 ATOM 8959 O OE1 B GLN C 1 128 ? -2.852 5.755 -17.524 0.45 28.32 ? 128 GLN C OE1 1 ATOM 8960 N NE2 A GLN C 1 128 ? -1.809 4.674 -20.721 0.55 41.06 ? 128 GLN C NE2 1 ATOM 8961 N NE2 B GLN C 1 128 ? -3.083 3.834 -18.657 0.45 36.13 ? 128 GLN C NE2 1 ATOM 8962 H H A GLN C 1 128 ? -0.840 3.599 -15.485 0.55 18.25 ? 128 GLN C H 1 ATOM 8963 H H B GLN C 1 128 ? -0.839 3.599 -15.487 0.45 18.25 ? 128 GLN C H 1 ATOM 8964 H HA A GLN C 1 128 ? 0.830 3.945 -16.726 0.55 16.58 ? 128 GLN C HA 1 ATOM 8965 H HA B GLN C 1 128 ? 0.828 3.957 -16.739 0.45 16.91 ? 128 GLN C HA 1 ATOM 8966 H HB2 A GLN C 1 128 ? -0.439 6.417 -17.264 0.55 20.19 ? 128 GLN C HB2 1 ATOM 8967 H HB2 B GLN C 1 128 ? -0.580 6.354 -17.211 0.45 20.60 ? 128 GLN C HB2 1 ATOM 8968 H HB3 A GLN C 1 128 ? 0.697 5.779 -18.170 0.55 20.19 ? 128 GLN C HB3 1 ATOM 8969 H HB3 B GLN C 1 128 ? 0.724 5.978 -18.032 0.45 20.60 ? 128 GLN C HB3 1 ATOM 8970 H HG2 A GLN C 1 128 ? -0.833 3.944 -18.552 0.55 24.45 ? 128 GLN C HG2 1 ATOM 8971 H HG2 B GLN C 1 128 ? -0.792 5.243 -19.425 0.45 25.51 ? 128 GLN C HG2 1 ATOM 8972 H HG3 A GLN C 1 128 ? -1.955 4.870 -17.918 0.55 24.45 ? 128 GLN C HG3 1 ATOM 8973 H HG3 B GLN C 1 128 ? -0.591 3.924 -18.563 0.45 25.51 ? 128 GLN C HG3 1 ATOM 8974 H HE21 A GLN C 1 128 ? -1.967 4.977 -21.511 0.55 49.26 ? 128 GLN C HE21 1 ATOM 8975 H HE21 B GLN C 1 128 ? -3.925 3.790 -18.486 0.45 43.34 ? 128 GLN C HE21 1 ATOM 8976 H HE22 A GLN C 1 128 ? -1.936 3.842 -20.546 0.55 49.26 ? 128 GLN C HE22 1 ATOM 8977 H HE22 B GLN C 1 128 ? -2.708 3.220 -19.129 0.45 43.34 ? 128 GLN C HE22 1 ATOM 8978 N N . PRO C 1 129 ? 2.152 4.841 -14.601 1.00 11.94 ? 129 PRO C N 1 ATOM 8979 C CA . PRO C 1 129 ? 3.209 5.441 -13.812 1.00 11.90 ? 129 PRO C CA 1 ATOM 8980 C C . PRO C 1 129 ? 4.578 5.340 -14.454 1.00 11.84 ? 129 PRO C C 1 ATOM 8981 O O . PRO C 1 129 ? 4.800 4.480 -15.310 1.00 14.71 ? 129 PRO C O 1 ATOM 8982 C CB . PRO C 1 129 ? 3.198 4.590 -12.538 1.00 12.35 ? 129 PRO C CB 1 ATOM 8983 C CG . PRO C 1 129 ? 2.770 3.239 -13.015 1.00 13.48 ? 129 PRO C CG 1 ATOM 8984 C CD . PRO C 1 129 ? 1.736 3.530 -14.087 1.00 13.00 ? 129 PRO C CD 1 ATOM 8985 H HA . PRO C 1 129 ? 3.003 6.375 -13.595 1.00 14.27 ? 129 PRO C HA 1 ATOM 8986 H HB2 . PRO C 1 129 ? 4.089 4.556 -12.155 1.00 14.81 ? 129 PRO C HB2 1 ATOM 8987 H HB3 . PRO C 1 129 ? 2.560 4.953 -11.903 1.00 14.81 ? 129 PRO C HB3 1 ATOM 8988 H HG2 . PRO C 1 129 ? 3.530 2.765 -13.387 1.00 16.17 ? 129 PRO C HG2 1 ATOM 8989 H HG3 . PRO C 1 129 ? 2.376 2.741 -12.281 1.00 16.17 ? 129 PRO C HG3 1 ATOM 8990 H HD2 . PRO C 1 129 ? 1.777 2.862 -14.789 1.00 15.59 ? 129 PRO C HD2 1 ATOM 8991 H HD3 . PRO C 1 129 ? 0.849 3.584 -13.698 1.00 15.59 ? 129 PRO C HD3 1 ATOM 8992 N N . LYS C 1 130 ? 5.473 6.198 -14.005 1.00 10.63 ? 130 LYS C N 1 ATOM 8993 C CA . LYS C 1 130 ? 6.899 5.924 -14.028 1.00 10.09 ? 130 LYS C CA 1 ATOM 8994 C C . LYS C 1 130 ? 7.291 5.609 -12.587 1.00 8.08 ? 130 LYS C C 1 ATOM 8995 O O . LYS C 1 130 ? 6.939 6.352 -11.645 1.00 9.96 ? 130 LYS C O 1 ATOM 8996 C CB . LYS C 1 130 ? 7.688 7.088 -14.606 1.00 11.71 ? 130 LYS C CB 1 ATOM 8997 C CG . LYS C 1 130 ? 7.438 7.173 -16.146 1.00 17.07 ? 130 LYS C CG 1 ATOM 8998 C CD . LYS C 1 130 ? 8.306 8.141 -16.853 1.00 25.42 ? 130 LYS C CD 1 ATOM 8999 C CE . LYS C 1 130 ? 8.120 8.011 -18.378 1.00 27.09 ? 130 LYS C CE 1 ATOM 9000 N NZ . LYS C 1 130 ? 8.644 6.748 -18.963 1.00 36.23 ? 130 LYS C NZ 1 ATOM 9001 H H . LYS C 1 130 ? 5.275 6.966 -13.674 1.00 12.74 ? 130 LYS C H 1 ATOM 9002 H HA . LYS C 1 130 ? 7.070 5.130 -14.576 1.00 12.10 ? 130 LYS C HA 1 ATOM 9003 H HB2 . LYS C 1 130 ? 7.393 7.917 -14.197 1.00 14.04 ? 130 LYS C HB2 1 ATOM 9004 H HB3 . LYS C 1 130 ? 8.635 6.948 -14.453 1.00 14.04 ? 130 LYS C HB3 1 ATOM 9005 H HG2 . LYS C 1 130 ? 7.594 6.299 -16.535 1.00 20.48 ? 130 LYS C HG2 1 ATOM 9006 H HG3 . LYS C 1 130 ? 6.517 7.438 -16.297 1.00 20.48 ? 130 LYS C HG3 1 ATOM 9007 H HD2 . LYS C 1 130 ? 8.066 9.044 -16.590 1.00 30.49 ? 130 LYS C HD2 1 ATOM 9008 H HD3 . LYS C 1 130 ? 9.234 7.961 -16.640 1.00 30.49 ? 130 LYS C HD3 1 ATOM 9009 H HE2 . LYS C 1 130 ? 7.172 8.056 -18.579 1.00 32.49 ? 130 LYS C HE2 1 ATOM 9010 H HE3 . LYS C 1 130 ? 8.580 8.748 -18.809 1.00 32.49 ? 130 LYS C HE3 1 ATOM 9011 H HZ1 . LYS C 1 130 ? 9.587 6.675 -18.797 1.00 43.47 ? 130 LYS C HZ1 1 ATOM 9012 H HZ2 . LYS C 1 130 ? 8.199 5.994 -18.569 1.00 43.47 ? 130 LYS C HZ2 1 ATOM 9013 H HZ3 . LYS C 1 130 ? 8.493 6.738 -19.911 1.00 43.47 ? 130 LYS C HZ3 1 ATOM 9014 N N . ILE C 1 131 ? 7.964 4.490 -12.443 1.00 8.51 ? 131 ILE C N 1 ATOM 9015 C CA . ILE C 1 131 ? 8.346 3.936 -11.152 1.00 7.42 ? 131 ILE C CA 1 ATOM 9016 C C . ILE C 1 131 ? 9.859 3.880 -11.080 1.00 7.49 ? 131 ILE C C 1 ATOM 9017 O O . ILE C 1 131 ? 10.533 3.274 -11.954 1.00 9.24 ? 131 ILE C O 1 ATOM 9018 C CB . ILE C 1 131 ? 7.774 2.532 -10.945 1.00 9.16 ? 131 ILE C CB 1 ATOM 9019 C CG1 . ILE C 1 131 ? 6.237 2.576 -11.054 1.00 10.83 ? 131 ILE C CG1 1 ATOM 9020 C CG2 . ILE C 1 131 ? 8.236 1.993 -9.588 1.00 8.94 ? 131 ILE C CG2 1 ATOM 9021 C CD1 . ILE C 1 131 ? 5.585 1.203 -10.940 1.00 11.81 ? 131 ILE C CD1 1 ATOM 9022 H H . ILE C 1 131 ? 8.226 4.009 -13.105 1.00 10.20 ? 131 ILE C H 1 ATOM 9023 H HA . ILE C 1 131 ? 8.018 4.516 -10.434 1.00 8.89 ? 131 ILE C HA 1 ATOM 9024 H HB . ILE C 1 131 ? 8.118 1.951 -11.642 1.00 10.98 ? 131 ILE C HB 1 ATOM 9025 H HG12 . ILE C 1 131 ? 5.888 3.132 -10.341 1.00 12.99 ? 131 ILE C HG12 1 ATOM 9026 H HG13 . ILE C 1 131 ? 5.994 2.951 -11.915 1.00 12.99 ? 131 ILE C HG13 1 ATOM 9027 H HG21 . ILE C 1 131 ? 7.875 1.112 -9.462 1.00 10.72 ? 131 ILE C HG21 1 ATOM 9028 H HG22 . ILE C 1 131 ? 9.195 1.959 -9.575 1.00 10.72 ? 131 ILE C HG22 1 ATOM 9029 H HG23 . ILE C 1 131 ? 7.919 2.579 -8.896 1.00 10.72 ? 131 ILE C HG23 1 ATOM 9030 H HD11 . ILE C 1 131 ? 4.634 1.302 -11.015 1.00 14.16 ? 131 ILE C HD11 1 ATOM 9031 H HD12 . ILE C 1 131 ? 5.914 0.641 -11.646 1.00 14.16 ? 131 ILE C HD12 1 ATOM 9032 H HD13 . ILE C 1 131 ? 5.809 0.821 -10.087 1.00 14.16 ? 131 ILE C HD13 1 ATOM 9033 N N . VAL C 1 132 ? 10.440 4.542 -10.085 1.00 7.17 ? 132 VAL C N 1 ATOM 9034 C CA . VAL C 1 132 ? 11.862 4.693 -9.959 1.00 7.53 ? 132 VAL C CA 1 ATOM 9035 C C . VAL C 1 132 ? 12.379 4.241 -8.597 1.00 7.87 ? 132 VAL C C 1 ATOM 9036 O O . VAL C 1 132 ? 11.822 4.600 -7.548 1.00 8.48 ? 132 VAL C O 1 ATOM 9037 C CB . VAL C 1 132 ? 12.291 6.149 -10.206 1.00 9.89 ? 132 VAL C CB 1 ATOM 9038 C CG1 . VAL C 1 132 ? 13.778 6.352 -9.950 1.00 10.34 ? 132 VAL C CG1 1 ATOM 9039 C CG2 . VAL C 1 132 ? 11.910 6.542 -11.633 1.00 10.29 ? 132 VAL C CG2 1 ATOM 9040 H H . VAL C 1 132 ? 10.002 4.923 -9.450 1.00 8.59 ? 132 VAL C H 1 ATOM 9041 H HA . VAL C 1 132 ? 12.296 4.137 -10.639 1.00 9.02 ? 132 VAL C HA 1 ATOM 9042 H HB . VAL C 1 132 ? 11.798 6.733 -9.593 1.00 11.86 ? 132 VAL C HB 1 ATOM 9043 H HG11 . VAL C 1 132 ? 14.001 7.271 -10.116 1.00 12.40 ? 132 VAL C HG11 1 ATOM 9044 H HG12 . VAL C 1 132 ? 13.971 6.128 -9.037 1.00 12.40 ? 132 VAL C HG12 1 ATOM 9045 H HG13 . VAL C 1 132 ? 14.277 5.782 -10.540 1.00 12.40 ? 132 VAL C HG13 1 ATOM 9046 H HG21 . VAL C 1 132 ? 12.177 7.451 -11.789 1.00 12.34 ? 132 VAL C HG21 1 ATOM 9047 H HG22 . VAL C 1 132 ? 12.360 5.958 -12.248 1.00 12.34 ? 132 VAL C HG22 1 ATOM 9048 H HG23 . VAL C 1 132 ? 10.960 6.457 -11.737 1.00 12.34 ? 132 VAL C HG23 1 ATOM 9049 N N . LEU C 1 133 ? 13.436 3.429 -8.634 1.00 7.77 ? 133 LEU C N 1 ATOM 9050 C CA . LEU C 1 133 ? 14.270 3.154 -7.458 1.00 7.98 ? 133 LEU C CA 1 ATOM 9051 C C . LEU C 1 133 ? 15.571 3.924 -7.558 1.00 8.16 ? 133 LEU C C 1 ATOM 9052 O O . LEU C 1 133 ? 16.137 4.059 -8.634 1.00 8.87 ? 133 LEU C O 1 ATOM 9053 C CB . LEU C 1 133 ? 14.642 1.677 -7.383 1.00 8.34 ? 133 LEU C CB 1 ATOM 9054 C CG . LEU C 1 133 ? 13.517 0.678 -7.400 1.00 7.71 ? 133 LEU C CG 1 ATOM 9055 C CD1 . LEU C 1 133 ? 14.119 -0.741 -7.294 1.00 9.48 ? 133 LEU C CD1 1 ATOM 9056 C CD2 . LEU C 1 133 ? 12.561 0.913 -6.248 1.00 10.10 ? 133 LEU C CD2 1 ATOM 9057 H H . LEU C 1 133 ? 13.697 3.016 -9.342 1.00 9.31 ? 133 LEU C H 1 ATOM 9058 H HA . LEU C 1 133 ? 13.801 3.413 -6.637 1.00 9.56 ? 133 LEU C HA 1 ATOM 9059 H HB2 . LEU C 1 133 ? 15.215 1.473 -8.138 1.00 9.99 ? 133 LEU C HB2 1 ATOM 9060 H HB3 . LEU C 1 133 ? 15.137 1.533 -6.561 1.00 9.99 ? 133 LEU C HB3 1 ATOM 9061 H HG . LEU C 1 133 ? 13.027 0.749 -8.234 1.00 9.24 ? 133 LEU C HG 1 ATOM 9062 H HD11 . LEU C 1 133 ? 13.405 -1.383 -7.305 1.00 11.36 ? 133 LEU C HD11 1 ATOM 9063 H HD12 . LEU C 1 133 ? 14.704 -0.888 -8.041 1.00 11.36 ? 133 LEU C HD12 1 ATOM 9064 H HD13 . LEU C 1 133 ? 14.611 -0.811 -6.473 1.00 11.36 ? 133 LEU C HD13 1 ATOM 9065 H HD21 . LEU C 1 133 ? 11.857 0.261 -6.288 1.00 12.11 ? 133 LEU C HD21 1 ATOM 9066 H HD22 . LEU C 1 133 ? 13.041 0.827 -5.421 1.00 12.11 ? 133 LEU C HD22 1 ATOM 9067 H HD23 . LEU C 1 133 ? 12.193 1.797 -6.322 1.00 12.11 ? 133 LEU C HD23 1 ATOM 9068 N N . GLY C 1 134 ? 16.061 4.432 -6.438 1.00 7.88 ? 134 GLY C N 1 ATOM 9069 C CA . GLY C 1 134 ? 17.348 5.081 -6.362 1.00 8.17 ? 134 GLY C CA 1 ATOM 9070 C C . GLY C 1 134 ? 17.307 6.610 -6.338 1.00 7.72 ? 134 GLY C C 1 ATOM 9071 O O . GLY C 1 134 ? 18.264 7.229 -5.898 1.00 8.65 ? 134 GLY C O 1 ATOM 9072 H H . GLY C 1 134 ? 15.647 4.409 -5.684 1.00 9.44 ? 134 GLY C H 1 ATOM 9073 H HA2 . GLY C 1 134 ? 17.803 4.782 -5.559 1.00 9.79 ? 134 GLY C HA2 1 ATOM 9074 H HA3 . GLY C 1 134 ? 17.881 4.809 -7.126 1.00 9.79 ? 134 GLY C HA3 1 ATOM 9075 N N . GLN C 1 135 ? 16.207 7.167 -6.839 1.00 7.77 ? 135 GLN C N 1 ATOM 9076 C CA . GLN C 1 135 ? 15.999 8.613 -6.853 1.00 7.88 ? 135 GLN C CA 1 ATOM 9077 C C . GLN C 1 135 ? 14.529 8.878 -6.573 1.00 8.52 ? 135 GLN C C 1 ATOM 9078 O O . GLN C 1 135 ? 13.653 8.037 -6.787 1.00 9.92 ? 135 GLN C O 1 ATOM 9079 C CB . GLN C 1 135 ? 16.387 9.218 -8.208 1.00 8.49 ? 135 GLN C CB 1 ATOM 9080 C CG . GLN C 1 135 ? 17.804 8.958 -8.623 1.00 8.27 ? 135 GLN C CG 1 ATOM 9081 C CD . GLN C 1 135 ? 18.864 9.732 -7.843 1.00 8.74 ? 135 GLN C CD 1 ATOM 9082 O OE1 . GLN C 1 135 ? 18.591 10.756 -7.212 1.00 10.92 ? 135 GLN C OE1 1 ATOM 9083 N NE2 . GLN C 1 135 ? 20.094 9.238 -7.882 1.00 9.07 ? 135 GLN C NE2 1 ATOM 9084 H H . GLN C 1 135 ? 15.556 6.721 -7.181 1.00 9.32 ? 135 GLN C H 1 ATOM 9085 H HA . GLN C 1 135 ? 16.536 9.035 -6.150 1.00 9.44 ? 135 GLN C HA 1 ATOM 9086 H HB2 . GLN C 1 135 ? 15.808 8.846 -8.891 1.00 10.18 ? 135 GLN C HB2 1 ATOM 9087 H HB3 . GLN C 1 135 ? 16.265 10.179 -8.164 1.00 10.18 ? 135 GLN C HB3 1 ATOM 9088 H HG2 . GLN C 1 135 ? 17.990 8.013 -8.509 1.00 9.91 ? 135 GLN C HG2 1 ATOM 9089 H HG3 . GLN C 1 135 ? 17.899 9.197 -9.559 1.00 9.91 ? 135 GLN C HG3 1 ATOM 9090 H HE21 . GLN C 1 135 ? 20.730 9.634 -7.460 1.00 10.88 ? 135 GLN C HE21 1 ATOM 9091 H HE22 . GLN C 1 135 ? 20.255 8.522 -8.329 1.00 10.88 ? 135 GLN C HE22 1 ATOM 9092 N N . GLU C 1 136 ? 14.264 10.088 -6.101 1.00 9.07 ? 136 GLU C N 1 ATOM 9093 C CA . GLU C 1 136 ? 12.922 10.590 -5.899 1.00 8.58 ? 136 GLU C CA 1 ATOM 9094 C C . GLU C 1 136 ? 12.540 11.437 -7.100 1.00 8.27 ? 136 GLU C C 1 ATOM 9095 O O . GLU C 1 136 ? 13.264 12.397 -7.423 1.00 10.09 ? 136 GLU C O 1 ATOM 9096 C CB . GLU C 1 136 ? 12.891 11.413 -4.610 1.00 10.46 ? 136 GLU C CB 1 ATOM 9097 C CG . GLU C 1 136 ? 11.540 11.571 -3.943 1.00 8.86 ? 136 GLU C CG 1 ATOM 9098 C CD . GLU C 1 136 ? 10.595 12.548 -4.586 1.00 9.27 ? 136 GLU C CD 1 ATOM 9099 O OE1 . GLU C 1 136 ? 9.418 12.179 -4.765 1.00 10.17 ? 136 GLU C OE1 1 ATOM 9100 O OE2 . GLU C 1 136 ? 11.065 13.668 -4.898 1.00 10.04 ? 136 GLU C OE2 1 ATOM 9101 H H . GLU C 1 136 ? 14.873 10.655 -5.883 1.00 10.88 ? 136 GLU C H 1 ATOM 9102 H HA . GLU C 1 136 ? 12.292 9.844 -5.819 1.00 10.28 ? 136 GLU C HA 1 ATOM 9103 H HB2 . GLU C 1 136 ? 13.482 10.991 -3.967 1.00 12.54 ? 136 GLU C HB2 1 ATOM 9104 H HB3 . GLU C 1 136 ? 13.219 12.303 -4.811 1.00 12.54 ? 136 GLU C HB3 1 ATOM 9105 H HG2 . GLU C 1 136 ? 11.101 10.706 -3.936 1.00 10.62 ? 136 GLU C HG2 1 ATOM 9106 H HG3 . GLU C 1 136 ? 11.684 11.866 -3.030 1.00 10.62 ? 136 GLU C HG3 1 ATOM 9107 N N . GLN C 1 137 ? 11.460 11.094 -7.764 1.00 7.65 ? 137 GLN C N 1 ATOM 9108 C CA . GLN C 1 137 ? 11.023 11.909 -8.944 1.00 8.12 ? 137 GLN C CA 1 ATOM 9109 C C . GLN C 1 137 ? 10.300 13.177 -8.505 1.00 10.30 ? 137 GLN C C 1 ATOM 9110 O O . GLN C 1 137 ? 9.512 13.134 -7.558 1.00 10.21 ? 137 GLN C O 1 ATOM 9111 C CB . GLN C 1 137 ? 10.030 11.144 -9.769 1.00 8.59 ? 137 GLN C CB 1 ATOM 9112 C CG . GLN C 1 137 ? 10.597 9.932 -10.463 1.00 9.66 ? 137 GLN C CG 1 ATOM 9113 C CD . GLN C 1 137 ? 9.490 9.117 -11.086 1.00 11.35 ? 137 GLN C CD 1 ATOM 9114 O OE1 . GLN C 1 137 ? 9.086 9.362 -12.194 1.00 11.81 ? 137 GLN C OE1 1 ATOM 9115 N NE2 . GLN C 1 137 ? 8.962 8.162 -10.357 1.00 10.02 ? 137 GLN C NE2 1 ATOM 9116 H H . GLN C 1 137 ? 10.957 10.421 -7.581 1.00 9.17 ? 137 GLN C H 1 ATOM 9117 H HA . GLN C 1 137 ? 11.793 12.149 -9.500 1.00 9.73 ? 137 GLN C HA 1 ATOM 9118 H HB2 . GLN C 1 137 ? 9.313 10.843 -9.190 1.00 10.30 ? 137 GLN C HB2 1 ATOM 9119 H HB3 . GLN C 1 137 ? 9.674 11.734 -10.451 1.00 10.30 ? 137 GLN C HB3 1 ATOM 9120 H HG2 . GLN C 1 137 ? 11.203 10.215 -11.166 1.00 11.58 ? 137 GLN C HG2 1 ATOM 9121 H HG3 . GLN C 1 137 ? 11.062 9.377 -9.818 1.00 11.58 ? 137 GLN C HG3 1 ATOM 9122 H HE21 . GLN C 1 137 ? 8.329 7.676 -10.677 1.00 12.01 ? 137 GLN C HE21 1 ATOM 9123 H HE22 . GLN C 1 137 ? 9.249 8.022 -9.558 1.00 12.01 ? 137 GLN C HE22 1 ATOM 9124 N N . ASP C 1 138 ? 10.561 14.293 -9.206 1.00 10.39 ? 138 ASP C N 1 ATOM 9125 C CA . ASP C 1 138 ? 9.656 15.459 -9.140 1.00 11.41 ? 138 ASP C CA 1 ATOM 9126 C C . ASP C 1 138 ? 8.950 15.752 -10.469 1.00 14.52 ? 138 ASP C C 1 ATOM 9127 O O . ASP C 1 138 ? 8.136 16.683 -10.570 1.00 16.64 ? 138 ASP C O 1 ATOM 9128 C CB . ASP C 1 138 ? 10.417 16.703 -8.660 1.00 10.56 ? 138 ASP C CB 1 ATOM 9129 C CG . ASP C 1 138 ? 10.761 16.648 -7.188 1.00 7.97 ? 138 ASP C CG 1 ATOM 9130 O OD1 . ASP C 1 138 ? 10.059 15.913 -6.422 1.00 10.36 ? 138 ASP C OD1 1 ATOM 9131 O OD2 . ASP C 1 138 ? 11.682 17.355 -6.751 1.00 12.57 ? 138 ASP C OD2 1 ATOM 9132 H H . ASP C 1 138 ? 11.242 14.401 -9.719 1.00 12.45 ? 138 ASP C H 1 ATOM 9133 H HA . ASP C 1 138 ? 8.960 15.270 -8.477 1.00 13.68 ? 138 ASP C HA 1 ATOM 9134 H HB2 . ASP C 1 138 ? 11.245 16.778 -9.159 1.00 12.66 ? 138 ASP C HB2 1 ATOM 9135 H HB3 . ASP C 1 138 ? 9.866 17.487 -8.810 1.00 12.66 ? 138 ASP C HB3 1 ATOM 9136 N N . SER C 1 139 ? 9.236 14.961 -11.480 1.00 11.77 ? 139 SER C N 1 ATOM 9137 C CA . SER C 1 139 ? 8.503 15.059 -12.744 1.00 11.94 ? 139 SER C CA 1 ATOM 9138 C C . SER C 1 139 ? 8.082 13.658 -13.185 1.00 15.69 ? 139 SER C C 1 ATOM 9139 O O . SER C 1 139 ? 8.233 12.696 -12.442 1.00 13.77 ? 139 SER C O 1 ATOM 9140 C CB . SER C 1 139 ? 9.416 15.668 -13.807 1.00 12.84 ? 139 SER C CB 1 ATOM 9141 O OG . SER C 1 139 ? 10.440 14.751 -14.134 1.00 14.53 ? 139 SER C OG 1 ATOM 9142 H H . SER C 1 139 ? 9.848 14.357 -11.470 1.00 14.12 ? 139 SER C H 1 ATOM 9143 H HA . SER C 1 139 ? 7.707 15.620 -12.637 1.00 14.32 ? 139 SER C HA 1 ATOM 9144 H HB2 . SER C 1 139 ? 8.895 15.863 -14.602 1.00 15.40 ? 139 SER C HB2 1 ATOM 9145 H HB3 . SER C 1 139 ? 9.814 16.481 -13.459 1.00 15.40 ? 139 SER C HB3 1 ATOM 9146 H HG . SER C 1 139 ? 10.933 15.074 -14.705 1.00 17.42 ? 139 SER C HG 1 ATOM 9147 N N . TYR C 1 140 ? 7.560 13.519 -14.395 1.00 13.67 ? 140 TYR C N 1 ATOM 9148 C CA . TYR C 1 140 ? 7.133 12.218 -14.890 1.00 12.23 ? 140 TYR C CA 1 ATOM 9149 C C . TYR C 1 140 ? 8.356 11.517 -15.453 1.00 15.13 ? 140 TYR C C 1 ATOM 9150 O O . TYR C 1 140 ? 8.700 11.650 -16.645 1.00 16.31 ? 140 TYR C O 1 ATOM 9151 C CB . TYR C 1 140 ? 6.037 12.372 -15.954 1.00 12.61 ? 140 TYR C CB 1 ATOM 9152 C CG . TYR C 1 140 ? 5.433 11.066 -16.444 1.00 13.02 ? 140 TYR C CG 1 ATOM 9153 C CD1 . TYR C 1 140 ? 4.857 10.137 -15.559 1.00 12.82 ? 140 TYR C CD1 1 ATOM 9154 C CD2 . TYR C 1 140 ? 5.401 10.774 -17.798 1.00 14.75 ? 140 TYR C CD2 1 ATOM 9155 C CE1 . TYR C 1 140 ? 4.273 8.973 -16.016 1.00 14.36 ? 140 TYR C CE1 1 ATOM 9156 C CE2 . TYR C 1 140 ? 4.826 9.617 -18.269 1.00 17.50 ? 140 TYR C CE2 1 ATOM 9157 C CZ . TYR C 1 140 ? 4.269 8.706 -17.388 1.00 15.56 ? 140 TYR C CZ 1 ATOM 9158 O OH . TYR C 1 140 ? 3.709 7.548 -17.884 1.00 18.16 ? 140 TYR C OH 1 ATOM 9159 H H . TYR C 1 140 ? 7.442 14.164 -14.952 1.00 16.39 ? 140 TYR C H 1 ATOM 9160 H HA . TYR C 1 140 ? 6.778 11.683 -14.149 1.00 14.67 ? 140 TYR C HA 1 ATOM 9161 H HB2 . TYR C 1 140 ? 5.319 12.906 -15.582 1.00 15.12 ? 140 TYR C HB2 1 ATOM 9162 H HB3 . TYR C 1 140 ? 6.416 12.826 -16.723 1.00 15.12 ? 140 TYR C HB3 1 ATOM 9163 H HD1 . TYR C 1 140 ? 4.856 10.318 -14.647 1.00 15.38 ? 140 TYR C HD1 1 ATOM 9164 H HD2 . TYR C 1 140 ? 5.766 11.379 -18.402 1.00 17.68 ? 140 TYR C HD2 1 ATOM 9165 H HE1 . TYR C 1 140 ? 3.905 8.364 -15.417 1.00 17.22 ? 140 TYR C HE1 1 ATOM 9166 H HE2 . TYR C 1 140 ? 4.824 9.439 -19.182 1.00 20.98 ? 140 TYR C HE2 1 ATOM 9167 H HH . TYR C 1 140 ? 2.915 7.513 -17.685 1.00 21.78 ? 140 TYR C HH 1 ATOM 9168 N N . GLY C 1 141 ? 9.095 10.854 -14.571 1.00 12.06 ? 141 GLY C N 1 ATOM 9169 C CA . GLY C 1 141 ? 10.300 10.134 -14.948 1.00 13.23 ? 141 GLY C CA 1 ATOM 9170 C C . GLY C 1 141 ? 11.605 10.747 -14.527 1.00 14.71 ? 141 GLY C C 1 ATOM 9171 O O . GLY C 1 141 ? 12.658 10.143 -14.753 1.00 18.85 ? 141 GLY C O 1 ATOM 9172 H H . GLY C 1 141 ? 8.914 10.807 -13.731 1.00 14.46 ? 141 GLY C H 1 ATOM 9173 H HA2 . GLY C 1 141 ? 10.259 9.242 -14.568 1.00 15.87 ? 141 GLY C HA2 1 ATOM 9174 H HA3 . GLY C 1 141 ? 10.316 10.043 -15.914 1.00 15.87 ? 141 GLY C HA3 1 ATOM 9175 N N . GLY C 1 142 ? 11.598 11.947 -13.950 1.00 12.88 ? 142 GLY C N 1 ATOM 9176 C CA . GLY C 1 142 ? 12.841 12.633 -13.689 1.00 11.71 ? 142 GLY C CA 1 ATOM 9177 C C . GLY C 1 142 ? 12.789 13.719 -12.619 1.00 13.60 ? 142 GLY C C 1 ATOM 9178 O O . GLY C 1 142 ? 12.028 13.590 -11.659 1.00 12.98 ? 142 GLY C O 1 ATOM 9179 H H . GLY C 1 142 ? 10.892 12.374 -13.705 1.00 15.44 ? 142 GLY C H 1 ATOM 9180 H HA2 . GLY C 1 142 ? 13.504 11.981 -13.416 1.00 14.04 ? 142 GLY C HA2 1 ATOM 9181 H HA3 . GLY C 1 142 ? 13.148 13.044 -14.512 1.00 14.04 ? 142 GLY C HA3 1 ATOM 9182 N N . LYS C 1 143 ? 13.598 14.766 -12.798 1.00 13.97 ? 143 LYS C N 1 ATOM 9183 C CA . LYS C 1 143 ? 13.784 15.863 -11.849 1.00 12.45 ? 143 LYS C CA 1 ATOM 9184 C C . LYS C 1 143 ? 14.129 15.293 -10.475 1.00 11.18 ? 143 LYS C C 1 ATOM 9185 O O . LYS C 1 143 ? 13.431 15.511 -9.471 1.00 12.68 ? 143 LYS C O 1 ATOM 9186 C CB . LYS C 1 143 ? 12.575 16.797 -11.783 1.00 15.69 ? 143 LYS C CB 1 ATOM 9187 C CG . LYS C 1 143 ? 12.448 17.736 -12.982 1.00 26.85 ? 143 LYS C CG 1 ATOM 9188 C CD . LYS C 1 143 ? 11.416 18.860 -12.705 1.00 37.99 ? 143 LYS C CD 1 ATOM 9189 C CE . LYS C 1 143 ? 12.054 20.144 -12.150 1.00 47.94 ? 143 LYS C CE 1 ATOM 9190 N NZ . LYS C 1 143 ? 11.856 20.351 -10.677 1.00 42.50 ? 143 LYS C NZ 1 ATOM 9191 H H . LYS C 1 143 ? 14.076 14.865 -13.506 1.00 16.75 ? 143 LYS C H 1 ATOM 9192 H HA . LYS C 1 143 ? 14.550 16.398 -12.144 1.00 14.92 ? 143 LYS C HA 1 ATOM 9193 H HB2 . LYS C 1 143 ? 11.769 16.260 -11.741 1.00 18.81 ? 143 LYS C HB2 1 ATOM 9194 H HB3 . LYS C 1 143 ? 12.648 17.344 -10.985 1.00 18.81 ? 143 LYS C HB3 1 ATOM 9195 H HG2 . LYS C 1 143 ? 13.308 18.148 -13.160 1.00 32.21 ? 143 LYS C HG2 1 ATOM 9196 H HG3 . LYS C 1 143 ? 12.149 17.232 -13.755 1.00 32.21 ? 143 LYS C HG3 1 ATOM 9197 H HD2 . LYS C 1 143 ? 10.965 19.085 -13.533 1.00 45.58 ? 143 LYS C HD2 1 ATOM 9198 H HD3 . LYS C 1 143 ? 10.772 18.542 -12.053 1.00 45.58 ? 143 LYS C HD3 1 ATOM 9199 H HE2 . LYS C 1 143 ? 13.009 20.112 -12.317 1.00 57.51 ? 143 LYS C HE2 1 ATOM 9200 H HE3 . LYS C 1 143 ? 11.667 20.906 -12.609 1.00 57.51 ? 143 LYS C HE3 1 ATOM 9201 H HZ1 . LYS C 1 143 ? 10.918 20.401 -10.476 1.00 50.99 ? 143 LYS C HZ1 1 ATOM 9202 H HZ2 . LYS C 1 143 ? 12.241 19.620 -10.188 1.00 50.99 ? 143 LYS C HZ2 1 ATOM 9203 H HZ3 . LYS C 1 143 ? 12.278 21.168 -10.401 1.00 50.99 ? 143 LYS C HZ3 1 ATOM 9204 N N . PHE C 1 144 ? 15.283 14.631 -10.454 1.00 11.10 ? 144 PHE C N 1 ATOM 9205 C CA . PHE C 1 144 ? 15.825 13.985 -9.276 1.00 10.69 ? 144 PHE C CA 1 ATOM 9206 C C . PHE C 1 144 ? 16.560 14.976 -8.390 1.00 12.12 ? 144 PHE C C 1 ATOM 9207 O O . PHE C 1 144 ? 16.848 16.118 -8.800 1.00 13.57 ? 144 PHE C O 1 ATOM 9208 C CB . PHE C 1 144 ? 16.792 12.864 -9.683 1.00 10.42 ? 144 PHE C CB 1 ATOM 9209 C CG . PHE C 1 144 ? 16.200 11.827 -10.602 1.00 10.77 ? 144 PHE C CG 1 ATOM 9210 C CD1 . PHE C 1 144 ? 14.926 11.320 -10.387 1.00 12.96 ? 144 PHE C CD1 1 ATOM 9211 C CD2 . PHE C 1 144 ? 16.942 11.301 -11.664 1.00 13.29 ? 144 PHE C CD2 1 ATOM 9212 C CE1 . PHE C 1 144 ? 14.385 10.362 -11.226 1.00 11.48 ? 144 PHE C CE1 1 ATOM 9213 C CE2 . PHE C 1 144 ? 16.394 10.340 -12.490 1.00 14.15 ? 144 PHE C CE2 1 ATOM 9214 C CZ . PHE C 1 144 ? 15.138 9.880 -12.270 1.00 13.03 ? 144 PHE C CZ 1 ATOM 9215 H H . PHE C 1 144 ? 15.787 14.542 -11.146 1.00 13.30 ? 144 PHE C H 1 ATOM 9216 H HA . PHE C 1 144 ? 15.094 13.589 -8.757 1.00 12.82 ? 144 PHE C HA 1 ATOM 9217 H HB2 . PHE C 1 144 ? 17.551 13.260 -10.138 1.00 12.50 ? 144 PHE C HB2 1 ATOM 9218 H HB3 . PHE C 1 144 ? 17.093 12.408 -8.882 1.00 12.50 ? 144 PHE C HB3 1 ATOM 9219 H HD1 . PHE C 1 144 ? 14.415 11.651 -9.684 1.00 15.54 ? 144 PHE C HD1 1 ATOM 9220 H HD2 . PHE C 1 144 ? 17.802 11.614 -11.826 1.00 15.93 ? 144 PHE C HD2 1 ATOM 9221 H HE1 . PHE C 1 144 ? 13.525 10.040 -11.078 1.00 13.77 ? 144 PHE C HE1 1 ATOM 9222 H HE2 . PHE C 1 144 ? 16.890 10.006 -13.202 1.00 16.97 ? 144 PHE C HE2 1 ATOM 9223 H HZ . PHE C 1 144 ? 14.781 9.231 -12.833 1.00 15.63 ? 144 PHE C HZ 1 ATOM 9224 N N . ASP C 1 145 ? 16.885 14.551 -7.171 1.00 11.64 ? 145 ASP C N 1 ATOM 9225 C CA . ASP C 1 145 ? 17.490 15.392 -6.134 1.00 11.33 ? 145 ASP C CA 1 ATOM 9226 C C . ASP C 1 145 ? 18.498 14.537 -5.359 1.00 13.65 ? 145 ASP C C 1 ATOM 9227 O O . ASP C 1 145 ? 18.153 13.560 -4.683 1.00 10.54 ? 145 ASP C O 1 ATOM 9228 C CB . ASP C 1 145 ? 16.392 15.971 -5.217 1.00 12.61 ? 145 ASP C CB 1 ATOM 9229 C CG . ASP C 1 145 ? 16.926 16.837 -4.079 1.00 16.93 ? 145 ASP C CG 1 ATOM 9230 O OD1 . ASP C 1 145 ? 18.133 16.850 -3.792 1.00 15.91 ? 145 ASP C OD1 1 ATOM 9231 O OD2 . ASP C 1 145 ? 16.090 17.533 -3.462 1.00 17.03 ? 145 ASP C OD2 1 ATOM 9232 H H . ASP C 1 145 ? 16.760 13.741 -6.910 1.00 13.96 ? 145 ASP C H 1 ATOM 9233 H HA . ASP C 1 145 ? 17.969 16.136 -6.553 1.00 13.59 ? 145 ASP C HA 1 ATOM 9234 H HB2 . ASP C 1 145 ? 15.797 16.519 -5.752 1.00 15.12 ? 145 ASP C HB2 1 ATOM 9235 H HB3 . ASP C 1 145 ? 15.897 15.236 -4.822 1.00 15.12 ? 145 ASP C HB3 1 ATOM 9236 N N . ARG C 1 146 ? 19.764 14.862 -5.486 1.00 11.72 ? 146 ARG C N 1 ATOM 9237 C CA . ARG C 1 146 ? 20.825 14.098 -4.854 1.00 10.95 ? 146 ARG C CA 1 ATOM 9238 C C . ARG C 1 146 ? 20.572 13.891 -3.358 1.00 12.03 ? 146 ARG C C 1 ATOM 9239 O O . ARG C 1 146 ? 20.924 12.846 -2.796 1.00 11.52 ? 146 ARG C O 1 ATOM 9240 C CB . ARG C 1 146 ? 22.145 14.860 -5.091 1.00 21.32 ? 146 ARG C CB 1 ATOM 9241 C CG . ARG C 1 146 ? 23.353 14.217 -4.555 1.00 24.81 ? 146 ARG C CG 1 ATOM 9242 C CD . ARG C 1 146 ? 24.538 15.187 -4.737 1.00 21.15 ? 146 ARG C CD 1 ATOM 9243 N NE . ARG C 1 146 ? 25.733 14.616 -4.155 1.00 33.91 ? 146 ARG C NE 1 ATOM 9244 C CZ . ARG C 1 146 ? 26.634 13.928 -4.839 1.00 37.17 ? 146 ARG C CZ 1 ATOM 9245 N NH1 . ARG C 1 146 ? 26.473 13.738 -6.147 1.00 36.64 ? 146 ARG C NH1 1 ATOM 9246 N NH2 . ARG C 1 146 ? 27.697 13.442 -4.207 1.00 35.34 ? 146 ARG C NH2 1 ATOM 9247 H H . ARG C 1 146 ? 20.046 15.534 -5.942 1.00 14.05 ? 146 ARG C H 1 ATOM 9248 H HA . ARG C 1 146 ? 20.893 13.219 -5.281 1.00 13.13 ? 146 ARG C HA 1 ATOM 9249 H HB2 . ARG C 1 146 ? 22.271 14.965 -6.047 1.00 25.57 ? 146 ARG C HB2 1 ATOM 9250 H HB3 . ARG C 1 146 ? 22.073 15.734 -4.676 1.00 25.57 ? 146 ARG C HB3 1 ATOM 9251 H HG2 . ARG C 1 146 ? 23.238 14.035 -3.609 1.00 29.76 ? 146 ARG C HG2 1 ATOM 9252 H HG3 . ARG C 1 146 ? 23.537 13.401 -5.045 1.00 29.76 ? 146 ARG C HG3 1 ATOM 9253 H HD2 . ARG C 1 146 ? 24.695 15.335 -5.682 1.00 25.37 ? 146 ARG C HD2 1 ATOM 9254 H HD3 . ARG C 1 146 ? 24.345 16.024 -4.287 1.00 25.37 ? 146 ARG C HD3 1 ATOM 9255 H HE . ARG C 1 146 ? 25.916 14.801 -3.221 1.00 40.68 ? 146 ARG C HE 1 ATOM 9256 H HH11 . ARG C 1 146 ? 25.781 14.056 -6.546 1.00 43.96 ? 146 ARG C HH11 1 ATOM 9257 H HH12 . ARG C 1 146 ? 27.059 13.292 -6.592 1.00 43.96 ? 146 ARG C HH12 1 ATOM 9258 H HH21 . ARG C 1 146 ? 27.792 13.574 -3.362 1.00 42.39 ? 146 ARG C HH21 1 ATOM 9259 H HH22 . ARG C 1 146 ? 28.290 12.997 -4.642 1.00 42.39 ? 146 ARG C HH22 1 ATOM 9260 N N . SER C 1 147 ? 19.963 14.882 -2.709 1.00 12.99 ? 147 SER C N 1 ATOM 9261 C CA . SER C 1 147 ? 19.779 14.834 -1.274 1.00 10.59 ? 147 SER C CA 1 ATOM 9262 C C . SER C 1 147 ? 18.676 13.872 -0.873 1.00 8.86 ? 147 SER C C 1 ATOM 9263 O O . SER C 1 147 ? 18.464 13.637 0.324 1.00 11.68 ? 147 SER C O 1 ATOM 9264 C CB . SER C 1 147 ? 19.505 16.251 -0.726 1.00 13.05 ? 147 SER C CB 1 ATOM 9265 O OG . SER C 1 147 ? 18.237 16.746 -1.116 1.00 18.51 ? 147 SER C OG 1 ATOM 9266 H H . SER C 1 147 ? 19.651 15.591 -3.083 1.00 15.58 ? 147 SER C H 1 ATOM 9267 H HA . SER C 1 147 ? 20.610 14.515 -0.865 1.00 12.69 ? 147 SER C HA 1 ATOM 9268 H HB2 . SER C 1 147 ? 19.542 16.222 0.243 1.00 15.65 ? 147 SER C HB2 1 ATOM 9269 H HB3 . SER C 1 147 ? 20.189 16.851 -1.061 1.00 15.65 ? 147 SER C HB3 1 ATOM 9270 H HG . SER C 1 147 ? 17.849 16.191 -1.577 1.00 22.20 ? 147 SER C HG 1 ATOM 9271 N N . GLN C 1 148 ? 17.964 13.320 -1.865 1.00 9.07 ? 148 GLN C N 1 ATOM 9272 C CA . GLN C 1 148 ? 16.922 12.307 -1.606 1.00 10.21 ? 148 GLN C CA 1 ATOM 9273 C C . GLN C 1 148 ? 17.290 10.973 -2.234 1.00 9.47 ? 148 GLN C C 1 ATOM 9274 O O . GLN C 1 148 ? 16.480 10.038 -2.201 1.00 9.33 ? 148 GLN C O 1 ATOM 9275 C CB . GLN C 1 148 ? 15.585 12.736 -2.182 1.00 10.20 ? 148 GLN C CB 1 ATOM 9276 C CG . GLN C 1 148 ? 15.098 14.088 -1.657 1.00 10.63 ? 148 GLN C CG 1 ATOM 9277 C CD . GLN C 1 148 ? 13.771 14.508 -2.251 1.00 10.03 ? 148 GLN C CD 1 ATOM 9278 O OE1 . GLN C 1 148 ? 13.665 14.745 -3.433 1.00 11.96 ? 148 GLN C OE1 1 ATOM 9279 N NE2 . GLN C 1 148 ? 12.731 14.570 -1.416 1.00 11.54 ? 148 GLN C NE2 1 ATOM 9280 H H . GLN C 1 148 ? 18.064 13.513 -2.697 1.00 10.87 ? 148 GLN C H 1 ATOM 9281 H HA . GLN C 1 148 ? 16.820 12.181 -0.640 1.00 12.25 ? 148 GLN C HA 1 ATOM 9282 H HB2 . GLN C 1 148 ? 15.666 12.803 -3.146 1.00 12.23 ? 148 GLN C HB2 1 ATOM 9283 H HB3 . GLN C 1 148 ? 14.918 12.070 -1.953 1.00 12.23 ? 148 GLN C HB3 1 ATOM 9284 H HG2 . GLN C 1 148 ? 14.990 14.032 -0.694 1.00 12.75 ? 148 GLN C HG2 1 ATOM 9285 H HG3 . GLN C 1 148 ? 15.754 14.767 -1.878 1.00 12.75 ? 148 GLN C HG3 1 ATOM 9286 H HE21 . GLN C 1 148 ? 11.957 14.805 -1.709 1.00 13.83 ? 148 GLN C HE21 1 ATOM 9287 H HE22 . GLN C 1 148 ? 12.835 14.376 -0.584 1.00 13.83 ? 148 GLN C HE22 1 ATOM 9288 N N . SER C 1 149 ? 18.481 10.866 -2.801 1.00 10.10 ? 149 SER C N 1 ATOM 9289 C CA . SER C 1 149 ? 18.882 9.634 -3.470 1.00 8.88 ? 149 SER C CA 1 ATOM 9290 C C . SER C 1 149 ? 19.074 8.489 -2.479 1.00 10.93 ? 149 SER C C 1 ATOM 9291 O O . SER C 1 149 ? 19.467 8.691 -1.328 1.00 10.58 ? 149 SER C O 1 ATOM 9292 C CB . SER C 1 149 ? 20.156 9.859 -4.279 1.00 10.37 ? 149 SER C CB 1 ATOM 9293 O OG . SER C 1 149 ? 21.274 10.165 -3.455 1.00 10.89 ? 149 SER C OG 1 ATOM 9294 H H . SER C 1 149 ? 19.076 11.487 -2.813 1.00 12.11 ? 149 SER C H 1 ATOM 9295 H HA . SER C 1 149 ? 18.175 9.372 -4.096 1.00 10.65 ? 149 SER C HA 1 ATOM 9296 H HB2 . SER C 1 149 ? 20.352 9.053 -4.781 1.00 12.43 ? 149 SER C HB2 1 ATOM 9297 H HB3 . SER C 1 149 ? 20.010 10.598 -4.890 1.00 12.43 ? 149 SER C HB3 1 ATOM 9298 H HG . SER C 1 149 ? 21.048 10.170 -2.666 1.00 13.06 ? 149 SER C HG 1 ATOM 9299 N N . PHE C 1 150 ? 18.823 7.264 -2.948 1.00 8.56 ? 150 PHE C N 1 ATOM 9300 C CA . PHE C 1 150 ? 19.019 6.102 -2.122 1.00 8.90 ? 150 PHE C CA 1 ATOM 9301 C C . PHE C 1 150 ? 20.367 5.488 -2.440 1.00 9.05 ? 150 PHE C C 1 ATOM 9302 O O . PHE C 1 150 ? 20.647 5.208 -3.602 1.00 9.77 ? 150 PHE C O 1 ATOM 9303 C CB . PHE C 1 150 ? 17.934 5.062 -2.383 1.00 8.46 ? 150 PHE C CB 1 ATOM 9304 C CG . PHE C 1 150 ? 18.173 3.739 -1.667 1.00 6.88 ? 150 PHE C CG 1 ATOM 9305 C CD1 . PHE C 1 150 ? 17.785 3.579 -0.343 1.00 8.75 ? 150 PHE C CD1 1 ATOM 9306 C CD2 . PHE C 1 150 ? 18.774 2.680 -2.321 1.00 7.41 ? 150 PHE C CD2 1 ATOM 9307 C CE1 . PHE C 1 150 ? 18.013 2.389 0.320 1.00 8.50 ? 150 PHE C CE1 1 ATOM 9308 C CE2 . PHE C 1 150 ? 19.014 1.496 -1.667 1.00 9.41 ? 150 PHE C CE2 1 ATOM 9309 C CZ . PHE C 1 150 ? 18.592 1.343 -0.337 1.00 7.58 ? 150 PHE C CZ 1 ATOM 9310 H H . PHE C 1 150 ? 18.540 7.092 -3.741 1.00 10.26 ? 150 PHE C H 1 ATOM 9311 H HA . PHE C 1 150 ? 18.999 6.355 -1.175 1.00 10.67 ? 150 PHE C HA 1 ATOM 9312 H HB2 . PHE C 1 150 ? 17.083 5.415 -2.081 1.00 10.14 ? 150 PHE C HB2 1 ATOM 9313 H HB3 . PHE C 1 150 ? 17.896 4.882 -3.336 1.00 10.14 ? 150 PHE C HB3 1 ATOM 9314 H HD1 . PHE C 1 150 ? 17.379 4.285 0.106 1.00 10.49 ? 150 PHE C HD1 1 ATOM 9315 H HD2 . PHE C 1 150 ? 19.044 2.780 -3.205 1.00 8.89 ? 150 PHE C HD2 1 ATOM 9316 H HE1 . PHE C 1 150 ? 17.741 2.290 1.204 1.00 10.19 ? 150 PHE C HE1 1 ATOM 9317 H HE2 . PHE C 1 150 ? 19.410 0.785 -2.117 1.00 11.28 ? 150 PHE C HE2 1 ATOM 9318 H HZ . PHE C 1 150 ? 18.749 0.543 0.111 1.00 9.09 ? 150 PHE C HZ 1 ATOM 9319 N N . VAL C 1 151 ? 21.205 5.312 -1.422 1.00 7.12 ? 151 VAL C N 1 ATOM 9320 C CA . VAL C 1 151 ? 22.508 4.672 -1.529 1.00 6.53 ? 151 VAL C CA 1 ATOM 9321 C C . VAL C 1 151 ? 22.428 3.419 -0.704 1.00 7.74 ? 151 VAL C C 1 ATOM 9322 O O . VAL C 1 151 ? 22.031 3.482 0.468 1.00 7.67 ? 151 VAL C O 1 ATOM 9323 C CB . VAL C 1 151 ? 23.651 5.588 -1.019 1.00 8.46 ? 151 VAL C CB 1 ATOM 9324 C CG1 . VAL C 1 151 ? 24.986 4.901 -1.225 1.00 8.54 ? 151 VAL C CG1 1 ATOM 9325 C CG2 . VAL C 1 151 ? 23.591 6.936 -1.734 1.00 11.70 ? 151 VAL C CG2 1 ATOM 9326 H H . VAL C 1 151 ? 21.028 5.570 -0.621 1.00 8.53 ? 151 VAL C H 1 ATOM 9327 H HA . VAL C 1 151 ? 22.686 4.429 -2.462 1.00 7.83 ? 151 VAL C HA 1 ATOM 9328 H HB . VAL C 1 151 ? 23.533 5.745 -0.059 1.00 10.14 ? 151 VAL C HB 1 ATOM 9329 H HG11 . VAL C 1 151 ? 25.685 5.477 -0.907 1.00 10.24 ? 151 VAL C HG11 1 ATOM 9330 H HG12 . VAL C 1 151 ? 24.991 4.076 -0.735 1.00 10.24 ? 151 VAL C HG12 1 ATOM 9331 H HG13 . VAL C 1 151 ? 25.106 4.727 -2.162 1.00 10.24 ? 151 VAL C HG13 1 ATOM 9332 H HG21 . VAL C 1 151 ? 24.303 7.493 -1.410 1.00 14.03 ? 151 VAL C HG21 1 ATOM 9333 H HG22 . VAL C 1 151 ? 23.690 6.794 -2.678 1.00 14.03 ? 151 VAL C HG22 1 ATOM 9334 H HG23 . VAL C 1 151 ? 22.743 7.349 -1.552 1.00 14.03 ? 151 VAL C HG23 1 ATOM 9335 N N . GLY C 1 152 ? 22.739 2.284 -1.302 1.00 8.23 ? 152 GLY C N 1 ATOM 9336 C CA . GLY C 1 152 ? 22.594 1.021 -0.612 1.00 7.66 ? 152 GLY C CA 1 ATOM 9337 C C . GLY C 1 152 ? 22.031 -0.045 -1.533 1.00 7.64 ? 152 GLY C C 1 ATOM 9338 O O . GLY C 1 152 ? 22.173 0.037 -2.751 1.00 8.43 ? 152 GLY C O 1 ATOM 9339 H H . GLY C 1 152 ? 23.037 2.218 -2.106 1.00 9.86 ? 152 GLY C H 1 ATOM 9340 H HA2 . GLY C 1 152 ? 23.458 0.726 -0.285 1.00 9.18 ? 152 GLY C HA2 1 ATOM 9341 H HA3 . GLY C 1 152 ? 21.995 1.128 0.143 1.00 9.18 ? 152 GLY C HA3 1 ATOM 9342 N N . GLU C 1 153 ? 21.345 -1.018 -0.931 1.00 6.12 ? 153 GLU C N 1 ATOM 9343 C CA . GLU C 1 153 ? 20.921 -2.227 -1.647 1.00 6.26 ? 153 GLU C CA 1 ATOM 9344 C C . GLU C 1 153 ? 19.433 -2.431 -1.493 1.00 6.74 ? 153 GLU C C 1 ATOM 9345 O O . GLU C 1 153 ? 18.902 -2.273 -0.388 1.00 6.32 ? 153 GLU C O 1 ATOM 9346 C CB . GLU C 1 153 ? 21.686 -3.450 -1.151 1.00 7.57 ? 153 GLU C CB 1 ATOM 9347 C CG . GLU C 1 153 ? 23.191 -3.218 -1.150 1.00 7.62 ? 153 GLU C CG 1 ATOM 9348 C CD . GLU C 1 153 ? 24.001 -4.405 -0.689 1.00 8.90 ? 153 GLU C CD 1 ATOM 9349 O OE1 . GLU C 1 153 ? 23.591 -5.530 -1.050 1.00 9.99 ? 153 GLU C OE1 1 ATOM 9350 O OE2 . GLU C 1 153 ? 25.046 -4.212 -0.013 1.00 9.95 ? 153 GLU C OE2 1 ATOM 9351 H H . GLU C 1 153 ? 21.111 -1.003 -0.104 1.00 7.33 ? 153 GLU C H 1 ATOM 9352 H HA . GLU C 1 153 ? 21.114 -2.116 -2.602 1.00 7.50 ? 153 GLU C HA 1 ATOM 9353 H HB2 . GLU C 1 153 ? 21.410 -3.652 -0.244 1.00 9.07 ? 153 GLU C HB2 1 ATOM 9354 H HB3 . GLU C 1 153 ? 21.496 -4.202 -1.734 1.00 9.07 ? 153 GLU C HB3 1 ATOM 9355 H HG2 . GLU C 1 153 ? 23.473 -3.000 -2.052 1.00 9.14 ? 153 GLU C HG2 1 ATOM 9356 H HG3 . GLU C 1 153 ? 23.391 -2.476 -0.557 1.00 9.14 ? 153 GLU C HG3 1 ATOM 9357 N N . ILE C 1 154 ? 18.763 -2.840 -2.575 1.00 7.63 ? 154 ILE C N 1 ATOM 9358 C CA . ILE C 1 154 ? 17.332 -3.186 -2.561 1.00 6.75 ? 154 ILE C CA 1 ATOM 9359 C C . ILE C 1 154 ? 17.134 -4.505 -3.231 1.00 7.14 ? 154 ILE C C 1 ATOM 9360 O O . ILE C 1 154 ? 17.718 -4.759 -4.297 1.00 8.67 ? 154 ILE C O 1 ATOM 9361 C CB . ILE C 1 154 ? 16.471 -2.138 -3.295 1.00 8.88 ? 154 ILE C CB 1 ATOM 9362 C CG1 . ILE C 1 154 ? 16.502 -0.852 -2.513 1.00 10.77 ? 154 ILE C CG1 1 ATOM 9363 C CG2 . ILE C 1 154 ? 15.027 -2.637 -3.490 1.00 11.85 ? 154 ILE C CG2 1 ATOM 9364 C CD1 . ILE C 1 154 ? 15.862 0.327 -3.228 1.00 15.76 ? 154 ILE C CD1 1 ATOM 9365 H H . ILE C 1 154 ? 19.124 -2.929 -3.350 1.00 9.14 ? 154 ILE C H 1 ATOM 9366 H HA . ILE C 1 154 ? 17.020 -3.255 -1.635 1.00 8.09 ? 154 ILE C HA 1 ATOM 9367 H HB . ILE C 1 154 ? 16.861 -1.976 -4.168 1.00 10.64 ? 154 ILE C HB 1 ATOM 9368 H HG12 . ILE C 1 154 ? 16.027 -0.984 -1.678 1.00 12.91 ? 154 ILE C HG12 1 ATOM 9369 H HG13 . ILE C 1 154 ? 17.426 -0.621 -2.331 1.00 12.91 ? 154 ILE C HG13 1 ATOM 9370 H HG21 . ILE C 1 154 ? 14.522 -1.961 -3.949 1.00 14.21 ? 154 ILE C HG21 1 ATOM 9371 H HG22 . ILE C 1 154 ? 15.043 -3.443 -4.011 1.00 14.21 ? 154 ILE C HG22 1 ATOM 9372 H HG23 . ILE C 1 154 ? 14.637 -2.810 -2.630 1.00 14.21 ? 154 ILE C HG23 1 ATOM 9373 H HD11 . ILE C 1 154 ? 15.923 1.103 -2.666 1.00 18.90 ? 154 ILE C HD11 1 ATOM 9374 H HD12 . ILE C 1 154 ? 16.328 0.482 -4.052 1.00 18.90 ? 154 ILE C HD12 1 ATOM 9375 H HD13 . ILE C 1 154 ? 14.941 0.122 -3.405 1.00 18.90 ? 154 ILE C HD13 1 ATOM 9376 N N . GLY C 1 155 ? 16.357 -5.360 -2.600 1.00 7.18 ? 155 GLY C N 1 ATOM 9377 C CA . GLY C 1 155 ? 16.017 -6.624 -3.243 1.00 9.70 ? 155 GLY C CA 1 ATOM 9378 C C . GLY C 1 155 ? 14.623 -7.081 -2.894 1.00 8.63 ? 155 GLY C C 1 ATOM 9379 O O . GLY C 1 155 ? 13.907 -6.417 -2.137 1.00 8.06 ? 155 GLY C O 1 ATOM 9380 H H . GLY C 1 155 ? 16.018 -5.244 -1.819 1.00 8.60 ? 155 GLY C H 1 ATOM 9381 H HA2 . GLY C 1 155 ? 16.077 -6.524 -4.206 1.00 11.62 ? 155 GLY C HA2 1 ATOM 9382 H HA3 . GLY C 1 155 ? 16.645 -7.309 -2.964 1.00 11.62 ? 155 GLY C HA3 1 ATOM 9383 N N . ASP C 1 156 ? 14.228 -8.232 -3.445 1.00 7.23 ? 156 ASP C N 1 ATOM 9384 C CA . ASP C 1 156 ? 12.995 -8.907 -3.067 1.00 6.69 ? 156 ASP C CA 1 ATOM 9385 C C . ASP C 1 156 ? 11.769 -7.972 -3.128 1.00 6.73 ? 156 ASP C C 1 ATOM 9386 O O . ASP C 1 156 ? 10.933 -7.934 -2.217 1.00 7.39 ? 156 ASP C O 1 ATOM 9387 C CB . ASP C 1 156 ? 13.123 -9.571 -1.671 1.00 8.02 ? 156 ASP C CB 1 ATOM 9388 C CG . ASP C 1 156 ? 13.986 -10.799 -1.671 1.00 13.91 ? 156 ASP C CG 1 ATOM 9389 O OD1 . ASP C 1 156 ? 14.244 -11.367 -2.751 1.00 20.02 ? 156 ASP C OD1 1 ATOM 9390 O OD2 . ASP C 1 156 ? 14.412 -11.224 -0.570 1.00 14.38 ? 156 ASP C OD2 1 ATOM 9391 H H . ASP C 1 156 ? 14.671 -8.647 -4.054 1.00 8.66 ? 156 ASP C H 1 ATOM 9392 H HA . ASP C 1 156 ? 12.836 -9.627 -3.712 1.00 8.02 ? 156 ASP C HA 1 ATOM 9393 H HB2 . ASP C 1 156 ? 13.514 -8.932 -1.054 1.00 9.62 ? 156 ASP C HB2 1 ATOM 9394 H HB3 . ASP C 1 156 ? 12.239 -9.828 -1.364 1.00 9.62 ? 156 ASP C HB3 1 ATOM 9395 N N . LEU C 1 157 ? 11.653 -7.248 -4.240 1.00 6.78 ? 157 LEU C N 1 ATOM 9396 C CA . LEU C 1 157 ? 10.569 -6.313 -4.400 1.00 6.69 ? 157 LEU C CA 1 ATOM 9397 C C . LEU C 1 157 ? 9.390 -6.955 -5.147 1.00 6.80 ? 157 LEU C C 1 ATOM 9398 O O . LEU C 1 157 ? 9.538 -7.502 -6.260 1.00 7.57 ? 157 LEU C O 1 ATOM 9399 C CB . LEU C 1 157 ? 11.079 -5.037 -5.077 1.00 7.22 ? 157 LEU C CB 1 ATOM 9400 C CG . LEU C 1 157 ? 10.030 -3.936 -5.168 1.00 7.17 ? 157 LEU C CG 1 ATOM 9401 C CD1 . LEU C 1 157 ? 10.723 -2.563 -5.183 1.00 9.67 ? 157 LEU C CD1 1 ATOM 9402 C CD2 . LEU C 1 157 ? 9.132 -4.026 -6.403 1.00 10.40 ? 157 LEU C CD2 1 ATOM 9403 H H . LEU C 1 157 ? 12.192 -7.287 -4.910 1.00 8.12 ? 157 LEU C H 1 ATOM 9404 H HA . LEU C 1 157 ? 10.246 -6.061 -3.509 1.00 8.02 ? 157 LEU C HA 1 ATOM 9405 H HB2 . LEU C 1 157 ? 11.829 -4.691 -4.569 1.00 8.65 ? 157 LEU C HB2 1 ATOM 9406 H HB3 . LEU C 1 157 ? 11.362 -5.252 -5.979 1.00 8.65 ? 157 LEU C HB3 1 ATOM 9407 H HG . LEU C 1 157 ? 9.463 -3.975 -4.382 1.00 8.60 ? 157 LEU C HG 1 ATOM 9408 H HD11 . LEU C 1 157 ? 10.054 -1.877 -5.241 1.00 11.60 ? 157 LEU C HD11 1 ATOM 9409 H HD12 . LEU C 1 157 ? 11.230 -2.460 -4.375 1.00 11.60 ? 157 LEU C HD12 1 ATOM 9410 H HD13 . LEU C 1 157 ? 11.306 -2.517 -5.944 1.00 11.60 ? 157 LEU C HD13 1 ATOM 9411 H HD21 . LEU C 1 157 ? 8.503 -3.301 -6.386 1.00 12.46 ? 157 LEU C HD21 1 ATOM 9412 H HD22 . LEU C 1 157 ? 9.678 -3.968 -7.191 1.00 12.46 ? 157 LEU C HD22 1 ATOM 9413 H HD23 . LEU C 1 157 ? 8.665 -4.865 -6.389 1.00 12.46 ? 157 LEU C HD23 1 ATOM 9414 N N . TYR C 1 158 ? 8.216 -6.819 -4.543 1.00 6.65 ? 158 TYR C N 1 ATOM 9415 C CA . TYR C 1 158 ? 6.952 -7.361 -5.079 1.00 8.12 ? 158 TYR C CA 1 ATOM 9416 C C . TYR C 1 158 ? 5.841 -6.362 -4.849 1.00 7.68 ? 158 TYR C C 1 ATOM 9417 O O . TYR C 1 158 ? 5.810 -5.662 -3.814 1.00 7.87 ? 158 TYR C O 1 ATOM 9418 C CB . TYR C 1 158 ? 6.570 -8.678 -4.379 1.00 9.30 ? 158 TYR C CB 1 ATOM 9419 C CG . TYR C 1 158 ? 7.590 -9.756 -4.571 1.00 8.63 ? 158 TYR C CG 1 ATOM 9420 C CD1 . TYR C 1 158 ? 7.478 -10.659 -5.604 1.00 10.63 ? 158 TYR C CD1 1 ATOM 9421 C CD2 . TYR C 1 158 ? 8.670 -9.871 -3.728 1.00 7.47 ? 158 TYR C CD2 1 ATOM 9422 C CE1 . TYR C 1 158 ? 8.434 -11.618 -5.787 1.00 10.06 ? 158 TYR C CE1 1 ATOM 9423 C CE2 . TYR C 1 158 ? 9.637 -10.826 -3.911 1.00 8.82 ? 158 TYR C CE2 1 ATOM 9424 C CZ . TYR C 1 158 ? 9.506 -11.698 -4.944 1.00 10.85 ? 158 TYR C CZ 1 ATOM 9425 O OH . TYR C 1 158 ? 10.444 -12.691 -5.144 1.00 12.61 ? 158 TYR C OH 1 ATOM 9426 H H . TYR C 1 158 ? 8.115 -6.404 -3.796 1.00 7.97 ? 158 TYR C H 1 ATOM 9427 H HA . TYR C 1 158 ? 7.039 -7.525 -6.042 1.00 9.74 ? 158 TYR C HA 1 ATOM 9428 H HB2 . TYR C 1 158 ? 6.483 -8.515 -3.426 1.00 11.14 ? 158 TYR C HB2 1 ATOM 9429 H HB3 . TYR C 1 158 ? 5.728 -8.995 -4.739 1.00 11.14 ? 158 TYR C HB3 1 ATOM 9430 H HD1 . TYR C 1 158 ? 6.760 -10.602 -6.193 1.00 12.75 ? 158 TYR C HD1 1 ATOM 9431 H HD2 . TYR C 1 158 ? 8.765 -9.261 -3.033 1.00 8.95 ? 158 TYR C HD2 1 ATOM 9432 H HE1 . TYR C 1 158 ? 8.353 -12.223 -6.488 1.00 12.06 ? 158 TYR C HE1 1 ATOM 9433 H HE2 . TYR C 1 158 ? 10.361 -10.886 -3.329 1.00 10.57 ? 158 TYR C HE2 1 ATOM 9434 H HH . TYR C 1 158 ? 10.489 -13.171 -4.480 1.00 15.12 ? 158 TYR C HH 1 ATOM 9435 N N . MET C 1 159 ? 4.903 -6.284 -5.774 1.00 7.11 ? 159 MET C N 1 ATOM 9436 C CA . MET C 1 159 ? 3.751 -5.387 -5.653 1.00 7.08 ? 159 MET C CA 1 ATOM 9437 C C . MET C 1 159 ? 2.494 -6.122 -6.140 1.00 8.29 ? 159 MET C C 1 ATOM 9438 O O . MET C 1 159 ? 2.519 -6.741 -7.241 1.00 8.98 ? 159 MET C O 1 ATOM 9439 C CB . MET C 1 159 ? 3.981 -4.070 -6.383 1.00 9.14 ? 159 MET C CB 1 ATOM 9440 C CG . MET C 1 159 ? 2.930 -3.025 -6.048 1.00 6.99 ? 159 MET C CG 1 ATOM 9441 S SD . MET C 1 159 ? 3.342 -1.490 -6.894 1.00 11.20 ? 159 MET C SD 1 ATOM 9442 C CE . MET C 1 159 ? 1.988 -0.430 -6.376 1.00 14.64 ? 159 MET C CE 1 ATOM 9443 H H . MET C 1 159 ? 4.904 -6.747 -6.499 1.00 8.52 ? 159 MET C H 1 ATOM 9444 H HA . MET C 1 159 ? 3.630 -5.173 -4.704 1.00 8.48 ? 159 MET C HA 1 ATOM 9445 H HB2 . MET C 1 159 ? 4.848 -3.715 -6.131 1.00 10.96 ? 159 MET C HB2 1 ATOM 9446 H HB3 . MET C 1 159 ? 3.952 -4.229 -7.340 1.00 10.96 ? 159 MET C HB3 1 ATOM 9447 H HG2 . MET C 1 159 ? 2.060 -3.326 -6.353 1.00 8.38 ? 159 MET C HG2 1 ATOM 9448 H HG3 . MET C 1 159 ? 2.922 -2.863 -5.092 1.00 8.38 ? 159 MET C HG3 1 ATOM 9449 H HE1 . MET C 1 159 ? 2.100 0.437 -6.772 1.00 17.55 ? 159 MET C HE1 1 ATOM 9450 H HE2 . MET C 1 159 ? 1.159 -0.818 -6.666 1.00 17.55 ? 159 MET C HE2 1 ATOM 9451 H HE3 . MET C 1 159 ? 1.998 -0.356 -5.418 1.00 17.55 ? 159 MET C HE3 1 ATOM 9452 N N . TRP C 1 160 ? 1.463 -6.086 -5.310 1.00 8.61 ? 160 TRP C N 1 ATOM 9453 C CA . TRP C 1 160 ? 0.196 -6.753 -5.554 1.00 10.06 ? 160 TRP C CA 1 ATOM 9454 C C . TRP C 1 160 ? -0.891 -5.695 -5.676 1.00 11.35 ? 160 TRP C C 1 ATOM 9455 O O . TRP C 1 160 ? -0.819 -4.627 -5.028 1.00 10.63 ? 160 TRP C O 1 ATOM 9456 C CB . TRP C 1 160 ? -0.160 -7.623 -4.362 1.00 8.39 ? 160 TRP C CB 1 ATOM 9457 C CG . TRP C 1 160 ? 0.727 -8.765 -4.045 1.00 9.08 ? 160 TRP C CG 1 ATOM 9458 C CD1 . TRP C 1 160 ? 0.512 -10.080 -4.372 1.00 10.56 ? 160 TRP C CD1 1 ATOM 9459 C CD2 . TRP C 1 160 ? 1.952 -8.749 -3.300 1.00 6.78 ? 160 TRP C CD2 1 ATOM 9460 N NE1 . TRP C 1 160 ? 1.508 -10.868 -3.880 1.00 10.37 ? 160 TRP C NE1 1 ATOM 9461 C CE2 . TRP C 1 160 ? 2.413 -10.085 -3.211 1.00 8.64 ? 160 TRP C CE2 1 ATOM 9462 C CE3 . TRP C 1 160 ? 2.706 -7.742 -2.676 1.00 8.13 ? 160 TRP C CE3 1 ATOM 9463 C CZ2 . TRP C 1 160 ? 3.578 -10.436 -2.544 1.00 8.77 ? 160 TRP C CZ2 1 ATOM 9464 C CZ3 . TRP C 1 160 ? 3.863 -8.099 -2.013 1.00 8.72 ? 160 TRP C CZ3 1 ATOM 9465 C CH2 . TRP C 1 160 ? 4.308 -9.431 -1.969 1.00 8.82 ? 160 TRP C CH2 1 ATOM 9466 H H . TRP C 1 160 ? 1.477 -5.660 -4.564 1.00 10.31 ? 160 TRP C H 1 ATOM 9467 H HA . TRP C 1 160 ? 0.232 -7.295 -6.370 1.00 12.07 ? 160 TRP C HA 1 ATOM 9468 H HB2 . TRP C 1 160 ? -0.183 -7.057 -3.576 1.00 10.06 ? 160 TRP C HB2 1 ATOM 9469 H HB3 . TRP C 1 160 ? -1.046 -7.989 -4.515 1.00 10.06 ? 160 TRP C HB3 1 ATOM 9470 H HD1 . TRP C 1 160 ? -0.219 -10.391 -4.856 1.00 12.66 ? 160 TRP C HD1 1 ATOM 9471 H HE1 . TRP C 1 160 ? 1.566 -11.719 -3.982 1.00 12.43 ? 160 TRP C HE1 1 ATOM 9472 H HE3 . TRP C 1 160 ? 2.426 -6.855 -2.699 1.00 9.74 ? 160 TRP C HE3 1 ATOM 9473 H HZ2 . TRP C 1 160 ? 3.872 -11.318 -2.521 1.00 10.51 ? 160 TRP C HZ2 1 ATOM 9474 H HZ3 . TRP C 1 160 ? 4.375 -7.437 -1.608 1.00 10.46 ? 160 TRP C HZ3 1 ATOM 9475 H HH2 . TRP C 1 160 ? 5.094 -9.637 -1.517 1.00 10.58 ? 160 TRP C HH2 1 ATOM 9476 N N . ASP C 1 161 ? -1.937 -5.972 -6.461 1.00 10.83 ? 161 ASP C N 1 ATOM 9477 C CA . ASP C 1 161 ? -3.090 -5.068 -6.546 1.00 10.21 ? 161 ASP C CA 1 ATOM 9478 C C . ASP C 1 161 ? -4.173 -5.370 -5.502 1.00 13.27 ? 161 ASP C C 1 ATOM 9479 O O . ASP C 1 161 ? -5.380 -5.140 -5.751 1.00 13.73 ? 161 ASP C O 1 ATOM 9480 C CB . ASP C 1 161 ? -3.677 -5.109 -7.954 1.00 13.40 ? 161 ASP C CB 1 ATOM 9481 C CG . ASP C 1 161 ? -4.440 -6.396 -8.240 1.00 14.39 ? 161 ASP C CG 1 ATOM 9482 O OD1 . ASP C 1 161 ? -4.377 -7.407 -7.491 1.00 14.47 ? 161 ASP C OD1 1 ATOM 9483 O OD2 . ASP C 1 161 ? -5.162 -6.357 -9.285 1.00 23.72 ? 161 ASP C OD2 1 ATOM 9484 H H . ASP C 1 161 ? -2.003 -6.674 -6.953 1.00 12.98 ? 161 ASP C H 1 ATOM 9485 H HA . ASP C 1 161 ? -2.778 -4.154 -6.386 1.00 12.23 ? 161 ASP C HA 1 ATOM 9486 H HB2 . ASP C 1 161 ? -4.292 -4.366 -8.061 1.00 16.07 ? 161 ASP C HB2 1 ATOM 9487 H HB3 . ASP C 1 161 ? -2.956 -5.038 -8.599 1.00 16.07 ? 161 ASP C HB3 1 ATOM 9488 N N . SER C 1 162 ? -3.768 -5.859 -4.335 1.00 10.35 ? 162 SER C N 1 ATOM 9489 C CA . SER C 1 162 ? -4.666 -6.114 -3.242 1.00 10.46 ? 162 SER C CA 1 ATOM 9490 C C . SER C 1 162 ? -3.951 -5.819 -1.925 1.00 10.45 ? 162 SER C C 1 ATOM 9491 O O . SER C 1 162 ? -2.730 -5.669 -1.903 1.00 9.78 ? 162 SER C O 1 ATOM 9492 C CB . SER C 1 162 ? -5.153 -7.569 -3.250 1.00 12.50 ? 162 SER C CB 1 ATOM 9493 O OG . SER C 1 162 ? -4.065 -8.466 -3.145 1.00 14.56 ? 162 SER C OG 1 ATOM 9494 H H . SER C 1 162 ? -2.949 -6.053 -4.157 1.00 12.41 ? 162 SER C H 1 ATOM 9495 H HA . SER C 1 162 ? -5.445 -5.524 -3.313 1.00 12.54 ? 162 SER C HA 1 ATOM 9496 H HB2 . SER C 1 162 ? -5.748 -7.707 -2.497 1.00 14.98 ? 162 SER C HB2 1 ATOM 9497 H HB3 . SER C 1 162 ? -5.624 -7.740 -4.080 1.00 14.98 ? 162 SER C HB3 1 ATOM 9498 H HG . SER C 1 162 ? -4.338 -9.240 -3.150 1.00 17.46 ? 162 SER C HG 1 ATOM 9499 N N . VAL C 1 163 ? -4.695 -5.823 -0.826 1.00 10.63 ? 163 VAL C N 1 ATOM 9500 C CA . VAL C 1 163 ? -4.147 -5.656 0.504 1.00 9.45 ? 163 VAL C CA 1 ATOM 9501 C C . VAL C 1 163 ? -3.821 -7.040 1.059 1.00 11.85 ? 163 VAL C C 1 ATOM 9502 O O . VAL C 1 163 ? -4.740 -7.844 1.332 1.00 12.84 ? 163 VAL C O 1 ATOM 9503 C CB . VAL C 1 163 ? -5.154 -4.947 1.431 1.00 9.82 ? 163 VAL C CB 1 ATOM 9504 C CG1 . VAL C 1 163 ? -4.580 -4.863 2.833 1.00 11.76 ? 163 VAL C CG1 1 ATOM 9505 C CG2 . VAL C 1 163 ? -5.474 -3.538 0.911 1.00 15.32 ? 163 VAL C CG2 1 ATOM 9506 H H . VAL C 1 163 ? -5.549 -5.925 -0.830 1.00 12.74 ? 163 VAL C H 1 ATOM 9507 H HA . VAL C 1 163 ? -3.324 -5.126 0.463 1.00 11.32 ? 163 VAL C HA 1 ATOM 9508 H HB . VAL C 1 163 ? -5.986 -5.463 1.466 1.00 11.77 ? 163 VAL C HB 1 ATOM 9509 H HG11 . VAL C 1 163 ? -5.212 -4.421 3.403 1.00 14.10 ? 163 VAL C HG11 1 ATOM 9510 H HG12 . VAL C 1 163 ? -4.413 -5.752 3.155 1.00 14.10 ? 163 VAL C HG12 1 ATOM 9511 H HG13 . VAL C 1 163 ? -3.759 -4.366 2.805 1.00 14.10 ? 163 VAL C HG13 1 ATOM 9512 H HG21 . VAL C 1 163 ? -6.102 -3.121 1.506 1.00 18.37 ? 163 VAL C HG21 1 ATOM 9513 H HG22 . VAL C 1 163 ? -4.663 -3.025 0.878 1.00 18.37 ? 163 VAL C HG22 1 ATOM 9514 H HG23 . VAL C 1 163 ? -5.853 -3.608 0.031 1.00 18.37 ? 163 VAL C HG23 1 ATOM 9515 N N . LEU C 1 164 ? -2.539 -7.327 1.261 1.00 9.90 ? 164 LEU C N 1 ATOM 9516 C CA . LEU C 1 164 ? -2.177 -8.623 1.812 1.00 13.00 ? 164 LEU C CA 1 ATOM 9517 C C . LEU C 1 164 ? -2.606 -8.758 3.255 1.00 9.83 ? 164 LEU C C 1 ATOM 9518 O O . LEU C 1 164 ? -2.413 -7.855 4.066 1.00 12.22 ? 164 LEU C O 1 ATOM 9519 C CB . LEU C 1 164 ? -0.674 -8.863 1.758 1.00 9.84 ? 164 LEU C CB 1 ATOM 9520 C CG . LEU C 1 164 ? -0.008 -9.010 0.398 1.00 13.70 ? 164 LEU C CG 1 ATOM 9521 C CD1 . LEU C 1 164 ? 1.450 -9.417 0.559 1.00 14.31 ? 164 LEU C CD1 1 ATOM 9522 C CD2 . LEU C 1 164 ? -0.701 -9.991 -0.514 1.00 18.44 ? 164 LEU C CD2 1 ATOM 9523 H H . LEU C 1 164 ? -1.878 -6.804 1.092 1.00 11.86 ? 164 LEU C H 1 ATOM 9524 H HA . LEU C 1 164 ? -2.619 -9.328 1.293 1.00 15.59 ? 164 LEU C HA 1 ATOM 9525 H HB2 . LEU C 1 164 ? -0.240 -8.118 2.203 1.00 11.79 ? 164 LEU C HB2 1 ATOM 9526 H HB3 . LEU C 1 164 ? -0.486 -9.676 2.251 1.00 11.79 ? 164 LEU C HB3 1 ATOM 9527 H HG . LEU C 1 164 ? -0.020 -8.146 -0.043 1.00 16.43 ? 164 LEU C HG 1 ATOM 9528 H HD11 . LEU C 1 164 ? 1.847 -9.504 -0.311 1.00 17.16 ? 164 LEU C HD11 1 ATOM 9529 H HD12 . LEU C 1 164 ? 1.909 -8.742 1.063 1.00 17.16 ? 164 LEU C HD12 1 ATOM 9530 H HD13 . LEU C 1 164 ? 1.490 -10.257 1.023 1.00 17.16 ? 164 LEU C HD13 1 ATOM 9531 H HD21 . LEU C 1 164 ? -0.227 -10.031 -1.348 1.00 22.12 ? 164 LEU C HD21 1 ATOM 9532 H HD22 . LEU C 1 164 ? -0.705 -10.856 -0.097 1.00 22.12 ? 164 LEU C HD22 1 ATOM 9533 H HD23 . LEU C 1 164 ? -1.602 -9.695 -0.663 1.00 22.12 ? 164 LEU C HD23 1 ATOM 9534 N N . PRO C 1 165 ? -3.135 -9.927 3.614 1.00 11.73 ? 165 PRO C N 1 ATOM 9535 C CA . PRO C 1 165 ? -3.372 -10.192 5.031 1.00 11.76 ? 165 PRO C CA 1 ATOM 9536 C C . PRO C 1 165 ? -2.093 -10.530 5.759 1.00 10.83 ? 165 PRO C C 1 ATOM 9537 O O . PRO C 1 165 ? -1.091 -10.832 5.116 1.00 10.70 ? 165 PRO C O 1 ATOM 9538 C CB . PRO C 1 165 ? -4.273 -11.433 4.986 1.00 14.18 ? 165 PRO C CB 1 ATOM 9539 C CG . PRO C 1 165 ? -3.850 -12.154 3.758 1.00 14.51 ? 165 PRO C CG 1 ATOM 9540 C CD . PRO C 1 165 ? -3.482 -11.067 2.759 1.00 11.41 ? 165 PRO C CD 1 ATOM 9541 H HA . PRO C 1 165 ? -3.834 -9.446 5.467 1.00 14.10 ? 165 PRO C HA 1 ATOM 9542 H HB2 . PRO C 1 165 ? -4.123 -11.977 5.775 1.00 17.00 ? 165 PRO C HB2 1 ATOM 9543 H HB3 . PRO C 1 165 ? -5.203 -11.162 4.924 1.00 17.00 ? 165 PRO C HB3 1 ATOM 9544 H HG2 . PRO C 1 165 ? -3.081 -12.712 3.955 1.00 17.40 ? 165 PRO C HG2 1 ATOM 9545 H HG3 . PRO C 1 165 ? -4.586 -12.690 3.424 1.00 17.40 ? 165 PRO C HG3 1 ATOM 9546 H HD2 . PRO C 1 165 ? -2.716 -11.338 2.229 1.00 13.68 ? 165 PRO C HD2 1 ATOM 9547 H HD3 . PRO C 1 165 ? -4.244 -10.850 2.198 1.00 13.68 ? 165 PRO C HD3 1 ATOM 9548 N N . PRO C 1 166 ? -2.084 -10.492 7.092 1.00 9.76 ? 166 PRO C N 1 ATOM 9549 C CA . PRO C 1 166 ? -0.872 -10.655 7.862 1.00 10.24 ? 166 PRO C CA 1 ATOM 9550 C C . PRO C 1 166 ? -0.053 -11.884 7.529 1.00 10.66 ? 166 PRO C C 1 ATOM 9551 O O . PRO C 1 166 ? 1.160 -11.791 7.447 1.00 10.73 ? 166 PRO C O 1 ATOM 9552 C CB . PRO C 1 166 ? -1.387 -10.697 9.308 1.00 12.11 ? 166 PRO C CB 1 ATOM 9553 C CG . PRO C 1 166 ? -2.558 -9.806 9.260 1.00 13.25 ? 166 PRO C CG 1 ATOM 9554 C CD . PRO C 1 166 ? -3.220 -10.091 7.953 1.00 12.76 ? 166 PRO C CD 1 ATOM 9555 H HA . PRO C 1 166 ? -0.305 -9.863 7.754 1.00 12.28 ? 166 PRO C HA 1 ATOM 9556 H HB2 . PRO C 1 166 ? -1.645 -11.601 9.545 1.00 14.52 ? 166 PRO C HB2 1 ATOM 9557 H HB3 . PRO C 1 166 ? -0.711 -10.354 9.914 1.00 14.52 ? 166 PRO C HB3 1 ATOM 9558 H HG2 . PRO C 1 166 ? -3.154 -10.012 9.998 1.00 15.89 ? 166 PRO C HG2 1 ATOM 9559 H HG3 . PRO C 1 166 ? -2.267 -8.882 9.302 1.00 15.89 ? 166 PRO C HG3 1 ATOM 9560 H HD2 . PRO C 1 166 ? -3.852 -10.821 8.044 1.00 15.30 ? 166 PRO C HD2 1 ATOM 9561 H HD3 . PRO C 1 166 ? -3.644 -9.291 7.606 1.00 15.30 ? 166 PRO C HD3 1 ATOM 9562 N N . GLU C 1 167 ? -0.681 -13.038 7.345 1.00 9.68 ? 167 GLU C N 1 ATOM 9563 C CA . GLU C 1 167 ? 0.129 -14.234 7.124 1.00 9.80 ? 167 GLU C CA 1 ATOM 9564 C C . GLU C 1 167 ? 0.772 -14.227 5.740 1.00 9.13 ? 167 GLU C C 1 ATOM 9565 O O . GLU C 1 167 ? 1.792 -14.890 5.547 1.00 10.67 ? 167 GLU C O 1 ATOM 9566 C CB . GLU C 1 167 ? -0.704 -15.499 7.323 1.00 10.20 ? 167 GLU C CB 1 ATOM 9567 C CG . GLU C 1 167 ? -1.188 -15.667 8.775 1.00 12.57 ? 167 GLU C CG 1 ATOM 9568 C CD . GLU C 1 167 ? -2.017 -16.916 9.032 1.00 14.67 ? 167 GLU C CD 1 ATOM 9569 O OE1 . GLU C 1 167 ? -2.943 -16.842 9.889 1.00 19.02 ? 167 GLU C OE1 1 ATOM 9570 O OE2 . GLU C 1 167 ? -1.697 -17.978 8.453 1.00 12.83 ? 167 GLU C OE2 1 ATOM 9571 H H . GLU C 1 167 ? -1.533 -13.157 7.343 1.00 11.60 ? 167 GLU C H 1 ATOM 9572 H HA . GLU C 1 167 ? 0.852 -14.248 7.785 1.00 11.75 ? 167 GLU C HA 1 ATOM 9573 H HB2 . GLU C 1 167 ? -1.485 -15.458 6.749 1.00 12.23 ? 167 GLU C HB2 1 ATOM 9574 H HB3 . GLU C 1 167 ? -0.165 -16.273 7.095 1.00 12.23 ? 167 GLU C HB3 1 ATOM 9575 H HG2 . GLU C 1 167 ? -0.412 -15.706 9.357 1.00 15.07 ? 167 GLU C HG2 1 ATOM 9576 H HG3 . GLU C 1 167 ? -1.733 -14.900 9.010 1.00 15.07 ? 167 GLU C HG3 1 ATOM 9577 N N . ASN C 1 168 ? 0.225 -13.461 4.802 1.00 9.91 ? 168 ASN C N 1 ATOM 9578 C CA . ASN C 1 168 ? 0.915 -13.317 3.498 1.00 8.97 ? 168 ASN C CA 1 ATOM 9579 C C . ASN C 1 168 ? 2.077 -12.324 3.552 1.00 9.30 ? 168 ASN C C 1 ATOM 9580 O O . ASN C 1 168 ? 3.090 -12.498 2.856 1.00 10.06 ? 168 ASN C O 1 ATOM 9581 C CB . ASN C 1 168 ? -0.066 -12.994 2.399 1.00 9.35 ? 168 ASN C CB 1 ATOM 9582 C CG . ASN C 1 168 ? -0.988 -14.162 2.103 1.00 11.27 ? 168 ASN C CG 1 ATOM 9583 O OD1 . ASN C 1 168 ? -0.800 -15.238 2.660 1.00 14.40 ? 168 ASN C OD1 1 ATOM 9584 N ND2 . ASN C 1 168 ? -1.931 -13.963 1.206 1.00 12.83 ? 168 ASN C ND2 1 ATOM 9585 H H . ASN C 1 168 ? -0.513 -13.027 4.877 1.00 11.88 ? 168 ASN C H 1 ATOM 9586 H HA . ASN C 1 168 ? 1.305 -14.188 3.275 1.00 10.75 ? 168 ASN C HA 1 ATOM 9587 H HB2 . ASN C 1 168 ? -0.611 -12.239 2.669 1.00 11.21 ? 168 ASN C HB2 1 ATOM 9588 H HB3 . ASN C 1 168 ? 0.422 -12.781 1.588 1.00 11.21 ? 168 ASN C HB3 1 ATOM 9589 H HD21 . ASN C 1 168 ? -2.553 -14.686 0.980 1.00 15.38 ? 168 ASN C HD21 1 ATOM 9590 H HD22 . ASN C 1 168 ? -2.012 -13.091 0.765 1.00 15.38 ? 168 ASN C HD22 1 ATOM 9591 N N . ILE C 1 169 ? 1.952 -11.298 4.402 1.00 9.57 ? 169 ILE C N 1 ATOM 9592 C CA A ILE C 1 169 ? 3.067 -10.404 4.703 0.35 9.06 ? 169 ILE C CA 1 ATOM 9593 C CA B ILE C 1 169 ? 3.093 -10.428 4.659 0.65 8.41 ? 169 ILE C CA 1 ATOM 9594 C C . ILE C 1 169 ? 4.210 -11.207 5.313 1.00 9.47 ? 169 ILE C C 1 ATOM 9595 O O . ILE C 1 169 ? 5.357 -11.080 4.907 1.00 9.58 ? 169 ILE C O 1 ATOM 9596 C CB A ILE C 1 169 ? 2.625 -9.296 5.698 0.35 9.01 ? 169 ILE C CB 1 ATOM 9597 C CB B ILE C 1 169 ? 2.661 -9.257 5.527 0.65 9.05 ? 169 ILE C CB 1 ATOM 9598 C CG1 A ILE C 1 169 ? 1.576 -8.364 5.062 0.35 12.02 ? 169 ILE C CG1 1 ATOM 9599 C CG1 B ILE C 1 169 ? 1.726 -8.375 4.718 0.65 10.75 ? 169 ILE C CG1 1 ATOM 9600 C CG2 A ILE C 1 169 ? 3.811 -8.487 6.176 0.35 8.99 ? 169 ILE C CG2 1 ATOM 9601 C CG2 B ILE C 1 169 ? 3.841 -8.422 5.971 0.65 9.07 ? 169 ILE C CG2 1 ATOM 9602 C CD1 A ILE C 1 169 ? 2.117 -7.348 4.026 0.35 10.05 ? 169 ILE C CD1 1 ATOM 9603 C CD1 B ILE C 1 169 ? 0.948 -7.472 5.578 0.65 10.80 ? 169 ILE C CD1 1 ATOM 9604 H H A ILE C 1 169 ? 1.225 -11.101 4.818 0.35 11.48 ? 169 ILE C H 1 ATOM 9605 H H B ILE C 1 169 ? 1.235 -11.093 4.830 0.65 11.48 ? 169 ILE C H 1 ATOM 9606 H HA A ILE C 1 169 ? 3.384 -9.979 3.879 0.35 10.86 ? 169 ILE C HA 1 ATOM 9607 H HA B ILE C 1 169 ? 3.425 -10.073 3.808 0.65 10.08 ? 169 ILE C HA 1 ATOM 9608 H HB A ILE C 1 169 ? 2.221 -9.726 6.469 0.35 10.80 ? 169 ILE C HB 1 ATOM 9609 H HB B ILE C 1 169 ? 2.192 -9.591 6.307 0.65 10.84 ? 169 ILE C HB 1 ATOM 9610 H HG12 A ILE C 1 169 ? 0.914 -8.911 4.613 0.35 14.41 ? 169 ILE C HG12 1 ATOM 9611 H HG12 B ILE C 1 169 ? 2.247 -7.834 4.105 0.65 12.89 ? 169 ILE C HG12 1 ATOM 9612 H HG13 A ILE C 1 169 ? 1.149 -7.857 5.770 0.35 14.41 ? 169 ILE C HG13 1 ATOM 9613 H HG13 B ILE C 1 169 ? 1.105 -8.934 4.226 0.65 12.89 ? 169 ILE C HG13 1 ATOM 9614 H HG21 A ILE C 1 169 ? 3.503 -7.814 6.788 0.35 10.78 ? 169 ILE C HG21 1 ATOM 9615 H HG21 B ILE C 1 169 ? 3.524 -7.697 6.514 0.65 10.88 ? 169 ILE C HG21 1 ATOM 9616 H HG22 A ILE C 1 169 ? 4.430 -9.072 6.618 0.35 10.78 ? 169 ILE C HG22 1 ATOM 9617 H HG22 B ILE C 1 169 ? 4.440 -8.974 6.479 0.65 10.88 ? 169 ILE C HG22 1 ATOM 9618 H HG23 A ILE C 1 169 ? 4.232 -8.074 5.419 0.35 10.78 ? 169 ILE C HG23 1 ATOM 9619 H HG23 B ILE C 1 169 ? 4.290 -8.079 5.195 0.65 10.88 ? 169 ILE C HG23 1 ATOM 9620 H HD11 A ILE C 1 169 ? 1.386 -6.821 3.695 0.35 12.05 ? 169 ILE C HD11 1 ATOM 9621 H HD11 B ILE C 1 169 ? 0.373 -6.936 5.028 0.65 12.95 ? 169 ILE C HD11 1 ATOM 9622 H HD12 A ILE C 1 169 ? 2.763 -6.780 4.453 0.35 12.05 ? 169 ILE C HD12 1 ATOM 9623 H HD12 B ILE C 1 169 ? 0.423 -7.997 6.187 0.65 12.95 ? 169 ILE C HD12 1 ATOM 9624 H HD13 A ILE C 1 169 ? 2.529 -7.827 3.304 0.35 12.05 ? 169 ILE C HD13 1 ATOM 9625 H HD13 B ILE C 1 169 ? 1.553 -6.909 6.067 0.65 12.95 ? 169 ILE C HD13 1 ATOM 9626 N N . LEU C 1 170 ? 3.881 -12.045 6.305 1.00 9.95 ? 170 LEU C N 1 ATOM 9627 C CA . LEU C 1 170 ? 4.913 -12.826 6.931 1.00 10.13 ? 170 LEU C CA 1 ATOM 9628 C C . LEU C 1 170 ? 5.579 -13.796 5.941 1.00 7.75 ? 170 LEU C C 1 ATOM 9629 O O . LEU C 1 170 ? 6.781 -13.950 5.994 1.00 9.50 ? 170 LEU C O 1 ATOM 9630 C CB A LEU C 1 170 ? 4.378 -13.551 8.170 0.41 12.95 ? 170 LEU C CB 1 ATOM 9631 C CB B LEU C 1 170 ? 4.326 -13.611 8.103 0.59 12.25 ? 170 LEU C CB 1 ATOM 9632 C CG A LEU C 1 170 ? 4.650 -12.782 9.477 0.41 15.90 ? 170 LEU C CG 1 ATOM 9633 C CG B LEU C 1 170 ? 3.837 -12.747 9.264 0.59 15.41 ? 170 LEU C CG 1 ATOM 9634 C CD1 A LEU C 1 170 ? 4.044 -11.377 9.453 0.41 18.18 ? 170 LEU C CD1 1 ATOM 9635 C CD1 B LEU C 1 170 ? 3.196 -13.609 10.345 0.59 16.79 ? 170 LEU C CD1 1 ATOM 9636 C CD2 A LEU C 1 170 ? 4.167 -13.570 10.673 0.41 16.56 ? 170 LEU C CD2 1 ATOM 9637 C CD2 B LEU C 1 170 ? 4.974 -11.948 9.865 0.59 17.40 ? 170 LEU C CD2 1 ATOM 9638 H H . LEU C 1 170 ? 3.089 -12.167 6.615 1.00 11.92 ? 170 LEU C H 1 ATOM 9639 H HA . LEU C 1 170 ? 5.609 -12.215 7.250 1.00 12.14 ? 170 LEU C HA 1 ATOM 9640 H HB2 A LEU C 1 170 ? 3.418 -13.662 8.082 0.41 15.52 ? 170 LEU C HB2 1 ATOM 9641 H HB2 B LEU C 1 170 ? 3.570 -14.128 7.783 0.59 14.69 ? 170 LEU C HB2 1 ATOM 9642 H HB3 A LEU C 1 170 ? 4.807 -14.419 8.238 0.41 15.52 ? 170 LEU C HB3 1 ATOM 9643 H HB3 B LEU C 1 170 ? 5.008 -14.209 8.448 0.59 14.69 ? 170 LEU C HB3 1 ATOM 9644 H HG A LEU C 1 170 ? 5.610 -12.677 9.572 0.41 19.06 ? 170 LEU C HG 1 ATOM 9645 H HG B LEU C 1 170 ? 3.169 -12.124 8.938 0.59 18.48 ? 170 LEU C HG 1 ATOM 9646 H HD11 A LEU C 1 170 ? 4.239 -10.939 10.285 0.41 21.80 ? 170 LEU C HD11 1 ATOM 9647 H HD11 B LEU C 1 170 ? 2.898 -13.042 11.060 0.59 20.14 ? 170 LEU C HD11 1 ATOM 9648 H HD12 A LEU C 1 170 ? 4.428 -10.883 8.725 0.41 21.80 ? 170 LEU C HD12 1 ATOM 9649 H HD12 B LEU C 1 170 ? 2.449 -14.079 9.966 0.59 20.14 ? 170 LEU C HD12 1 ATOM 9650 H HD13 A LEU C 1 170 ? 3.094 -11.449 9.336 0.41 21.80 ? 170 LEU C HD13 1 ATOM 9651 H HD13 B LEU C 1 170 ? 3.846 -14.235 10.671 0.59 20.14 ? 170 LEU C HD13 1 ATOM 9652 H HD21 A LEU C 1 170 ? 4.349 -13.069 11.472 0.41 19.86 ? 170 LEU C HD21 1 ATOM 9653 H HD21 B LEU C 1 170 ? 4.634 -11.417 10.589 0.59 20.87 ? 170 LEU C HD21 1 ATOM 9654 H HD22 A LEU C 1 170 ? 3.223 -13.720 10.588 0.41 19.86 ? 170 LEU C HD22 1 ATOM 9655 H HD22 B LEU C 1 170 ? 5.644 -12.554 10.189 0.59 20.87 ? 170 LEU C HD22 1 ATOM 9656 H HD23 A LEU C 1 170 ? 4.631 -14.410 10.701 0.41 19.86 ? 170 LEU C HD23 1 ATOM 9657 H HD23 B LEU C 1 170 ? 5.347 -11.378 9.188 0.59 20.87 ? 170 LEU C HD23 1 ATOM 9658 N N . SER C 1 171 ? 4.797 -14.360 5.011 1.00 8.84 ? 171 SER C N 1 ATOM 9659 C CA . SER C 1 171 ? 5.392 -15.265 4.021 1.00 9.93 ? 171 SER C CA 1 ATOM 9660 C C . SER C 1 171 ? 6.418 -14.480 3.198 1.00 8.99 ? 171 SER C C 1 ATOM 9661 O O . SER C 1 171 ? 7.522 -14.953 2.966 1.00 10.85 ? 171 SER C O 1 ATOM 9662 C CB . SER C 1 171 ? 4.334 -15.919 3.137 1.00 11.06 ? 171 SER C CB 1 ATOM 9663 O OG . SER C 1 171 ? 4.711 -17.263 2.767 1.00 12.44 ? 171 SER C OG 1 ATOM 9664 H H . SER C 1 171 ? 3.949 -14.240 4.933 1.00 10.60 ? 171 SER C H 1 ATOM 9665 H HA . SER C 1 171 ? 5.869 -15.979 4.493 1.00 11.90 ? 171 SER C HA 1 ATOM 9666 H HB2 . SER C 1 171 ? 3.495 -15.951 3.623 1.00 13.26 ? 171 SER C HB2 1 ATOM 9667 H HB3 . SER C 1 171 ? 4.228 -15.390 2.331 1.00 13.26 ? 171 SER C HB3 1 ATOM 9668 H HG . SER C 1 171 ? 5.438 -17.451 3.098 1.00 14.91 ? 171 SER C HG 1 ATOM 9669 N N . ALA C 1 172 ? 6.095 -13.243 2.802 1.00 9.29 ? 172 ALA C N 1 ATOM 9670 C CA . ALA C 1 172 ? 7.041 -12.436 2.033 1.00 8.35 ? 172 ALA C CA 1 ATOM 9671 C C . ALA C 1 172 ? 8.304 -12.103 2.879 1.00 9.71 ? 172 ALA C C 1 ATOM 9672 O O . ALA C 1 172 ? 9.447 -12.217 2.404 1.00 11.04 ? 172 ALA C O 1 ATOM 9673 C CB . ALA C 1 172 ? 6.367 -11.149 1.541 1.00 8.61 ? 172 ALA C CB 1 ATOM 9674 H H . ALA C 1 172 ? 5.345 -12.855 2.966 1.00 11.14 ? 172 ALA C H 1 ATOM 9675 H HA . ALA C 1 172 ? 7.329 -12.946 1.247 1.00 10.01 ? 172 ALA C HA 1 ATOM 9676 H HB1 . ALA C 1 172 ? 7.004 -10.635 1.039 1.00 10.33 ? 172 ALA C HB1 1 ATOM 9677 H HB2 . ALA C 1 172 ? 5.621 -11.381 0.983 1.00 10.33 ? 172 ALA C HB2 1 ATOM 9678 H HB3 . ALA C 1 172 ? 6.065 -10.645 2.300 1.00 10.33 ? 172 ALA C HB3 1 ATOM 9679 N N . TYR C 1 173 ? 8.096 -11.736 4.140 1.00 9.27 ? 173 TYR C N 1 ATOM 9680 C CA . TYR C 1 173 ? 9.208 -11.434 5.044 1.00 9.02 ? 173 TYR C CA 1 ATOM 9681 C C . TYR C 1 173 ? 10.166 -12.632 5.119 1.00 10.88 ? 173 TYR C C 1 ATOM 9682 O O . TYR C 1 173 ? 11.390 -12.468 5.129 1.00 12.06 ? 173 TYR C O 1 ATOM 9683 C CB . TYR C 1 173 ? 8.648 -11.056 6.431 1.00 9.43 ? 173 TYR C CB 1 ATOM 9684 C CG . TYR C 1 173 ? 9.684 -10.957 7.520 1.00 10.00 ? 173 TYR C CG 1 ATOM 9685 C CD1 . TYR C 1 173 ? 10.776 -10.125 7.391 1.00 11.17 ? 173 TYR C CD1 1 ATOM 9686 C CD2 . TYR C 1 173 ? 9.545 -11.682 8.676 1.00 13.24 ? 173 TYR C CD2 1 ATOM 9687 C CE1 . TYR C 1 173 ? 11.719 -10.008 8.382 1.00 11.86 ? 173 TYR C CE1 1 ATOM 9688 C CE2 . TYR C 1 173 ? 10.497 -11.564 9.703 1.00 17.07 ? 173 TYR C CE2 1 ATOM 9689 C CZ . TYR C 1 173 ? 11.573 -10.743 9.528 1.00 14.47 ? 173 TYR C CZ 1 ATOM 9690 O OH . TYR C 1 173 ? 12.543 -10.610 10.512 1.00 21.07 ? 173 TYR C OH 1 ATOM 9691 H H . TYR C 1 173 ? 7.319 -11.653 4.500 1.00 11.11 ? 173 TYR C H 1 ATOM 9692 H HA . TYR C 1 173 ? 9.706 -10.665 4.696 1.00 10.81 ? 173 TYR C HA 1 ATOM 9693 H HB2 . TYR C 1 173 ? 8.209 -10.193 6.363 1.00 11.30 ? 173 TYR C HB2 1 ATOM 9694 H HB3 . TYR C 1 173 ? 8.003 -11.729 6.699 1.00 11.30 ? 173 TYR C HB3 1 ATOM 9695 H HD1 . TYR C 1 173 ? 10.877 -9.628 6.612 1.00 13.39 ? 173 TYR C HD1 1 ATOM 9696 H HD2 . TYR C 1 173 ? 8.810 -12.240 8.788 1.00 15.88 ? 173 TYR C HD2 1 ATOM 9697 H HE1 . TYR C 1 173 ? 12.453 -9.448 8.271 1.00 14.22 ? 173 TYR C HE1 1 ATOM 9698 H HE2 . TYR C 1 173 ? 10.409 -12.062 10.483 1.00 20.47 ? 173 TYR C HE2 1 ATOM 9699 H HH . TYR C 1 173 ? 12.897 -11.336 10.656 1.00 25.27 ? 173 TYR C HH 1 ATOM 9700 N N . GLN C 1 174 ? 9.591 -13.829 5.177 1.00 10.31 ? 174 GLN C N 1 ATOM 9701 C CA . GLN C 1 174 ? 10.372 -15.058 5.308 1.00 11.51 ? 174 GLN C CA 1 ATOM 9702 C C . GLN C 1 174 ? 11.026 -15.510 4.008 1.00 15.59 ? 174 GLN C C 1 ATOM 9703 O O . GLN C 1 174 ? 11.748 -16.510 4.014 1.00 17.96 ? 174 GLN C O 1 ATOM 9704 C CB . GLN C 1 174 ? 9.466 -16.163 5.814 1.00 12.34 ? 174 GLN C CB 1 ATOM 9705 C CG . GLN C 1 174 ? 9.009 -16.000 7.228 1.00 16.65 ? 174 GLN C CG 1 ATOM 9706 C CD . GLN C 1 174 ? 7.737 -16.759 7.514 1.00 25.55 ? 174 GLN C CD 1 ATOM 9707 O OE1 . GLN C 1 174 ? 7.257 -17.554 6.688 1.00 22.26 ? 174 GLN C OE1 1 ATOM 9708 N NE2 . GLN C 1 174 ? 7.152 -16.496 8.681 1.00 33.15 ? 174 GLN C NE2 1 ATOM 9709 H H . GLN C 1 174 ? 8.741 -13.958 5.141 1.00 12.37 ? 174 GLN C H 1 ATOM 9710 H HA . GLN C 1 174 ? 11.080 -14.918 5.971 1.00 13.81 ? 174 GLN C HA 1 ATOM 9711 H HB2 . GLN C 1 174 ? 8.675 -16.196 5.253 1.00 14.79 ? 174 GLN C HB2 1 ATOM 9712 H HB3 . GLN C 1 174 ? 9.942 -17.006 5.755 1.00 14.79 ? 174 GLN C HB3 1 ATOM 9713 H HG2 . GLN C 1 174 ? 9.699 -16.333 7.824 1.00 19.97 ? 174 GLN C HG2 1 ATOM 9714 H HG3 . GLN C 1 174 ? 8.845 -15.060 7.401 1.00 19.97 ? 174 GLN C HG3 1 ATOM 9715 H HE21 . GLN C 1 174 ? 6.424 -16.900 8.898 1.00 39.77 ? 174 GLN C HE21 1 ATOM 9716 H HE22 . GLN C 1 174 ? 7.502 -15.924 9.219 1.00 39.77 ? 174 GLN C HE22 1 ATOM 9717 N N . GLY C 1 175 ? 10.735 -14.840 2.901 1.00 10.24 ? 175 GLY C N 1 ATOM 9718 C CA . GLY C 1 175 ? 11.395 -15.134 1.645 1.00 11.73 ? 175 GLY C CA 1 ATOM 9719 C C . GLY C 1 175 ? 10.555 -15.997 0.724 1.00 14.13 ? 175 GLY C C 1 ATOM 9720 O O . GLY C 1 175 ? 11.063 -16.532 -0.267 1.00 13.52 ? 175 GLY C O 1 ATOM 9721 H H . GLY C 1 175 ? 10.155 -14.207 2.853 1.00 12.28 ? 175 GLY C H 1 ATOM 9722 H HA2 . GLY C 1 175 ? 11.597 -14.304 1.186 1.00 14.06 ? 175 GLY C HA2 1 ATOM 9723 H HA3 . GLY C 1 175 ? 12.229 -15.598 1.821 1.00 14.06 ? 175 GLY C HA3 1 ATOM 9724 N N . THR C 1 176 ? 9.275 -16.150 1.053 1.00 10.77 ? 176 THR C N 1 ATOM 9725 C CA . THR C 1 176 ? 8.339 -16.928 0.237 1.00 11.37 ? 176 THR C CA 1 ATOM 9726 C C . THR C 1 176 ? 7.063 -16.133 -0.078 1.00 10.18 ? 176 THR C C 1 ATOM 9727 O O . THR C 1 176 ? 5.953 -16.478 0.290 1.00 10.64 ? 176 THR C O 1 ATOM 9728 C CB . THR C 1 176 ? 7.990 -18.256 0.902 1.00 13.01 ? 176 THR C CB 1 ATOM 9729 O OG1 . THR C 1 176 ? 7.416 -18.031 2.195 1.00 12.84 ? 176 THR C OG1 1 ATOM 9730 C CG2 . THR C 1 176 ? 9.256 -19.081 1.053 1.00 14.18 ? 176 THR C CG2 1 ATOM 9731 H H . THR C 1 176 ? 8.916 -15.809 1.757 1.00 12.91 ? 176 THR C H 1 ATOM 9732 H HA . THR C 1 176 ? 8.773 -17.134 -0.618 1.00 13.64 ? 176 THR C HA 1 ATOM 9733 H HB . THR C 1 176 ? 7.363 -18.746 0.346 1.00 15.60 ? 176 THR C HB 1 ATOM 9734 H HG1 . THR C 1 176 ? 7.230 -18.748 2.548 1.00 15.40 ? 176 THR C HG1 1 ATOM 9735 H HG21 . THR C 1 176 ? 9.053 -19.920 1.471 1.00 17.01 ? 176 THR C HG21 1 ATOM 9736 H HG22 . THR C 1 176 ? 9.644 -19.247 0.191 1.00 17.01 ? 176 THR C HG22 1 ATOM 9737 H HG23 . THR C 1 176 ? 9.892 -18.608 1.596 1.00 17.01 ? 176 THR C HG23 1 ATOM 9738 N N . PRO C 1 177 ? 7.200 -15.016 -0.792 1.00 11.66 ? 177 PRO C N 1 ATOM 9739 C CA . PRO C 1 177 ? 6.046 -14.220 -1.169 1.00 10.57 ? 177 PRO C CA 1 ATOM 9740 C C . PRO C 1 177 ? 5.031 -14.983 -2.040 1.00 12.35 ? 177 PRO C C 1 ATOM 9741 O O . PRO C 1 177 ? 5.439 -15.839 -2.842 1.00 13.25 ? 177 PRO C O 1 ATOM 9742 C CB . PRO C 1 177 ? 6.675 -13.064 -1.957 1.00 14.70 ? 177 PRO C CB 1 ATOM 9743 C CG . PRO C 1 177 ? 7.938 -13.706 -2.533 1.00 16.12 ? 177 PRO C CG 1 ATOM 9744 C CD . PRO C 1 177 ? 8.443 -14.507 -1.391 1.00 14.59 ? 177 PRO C CD 1 ATOM 9745 H HA . PRO C 1 177 ? 5.596 -13.867 -0.373 1.00 12.67 ? 177 PRO C HA 1 ATOM 9746 H HB2 . PRO C 1 177 ? 6.075 -12.774 -2.662 1.00 17.63 ? 177 PRO C HB2 1 ATOM 9747 H HB3 . PRO C 1 177 ? 6.895 -12.332 -1.359 1.00 17.63 ? 177 PRO C HB3 1 ATOM 9748 H HG2 . PRO C 1 177 ? 7.710 -14.274 -3.286 1.00 19.33 ? 177 PRO C HG2 1 ATOM 9749 H HG3 . PRO C 1 177 ? 8.575 -13.021 -2.790 1.00 19.33 ? 177 PRO C HG3 1 ATOM 9750 H HD2 . PRO C 1 177 ? 8.995 -15.239 -1.706 1.00 17.50 ? 177 PRO C HD2 1 ATOM 9751 H HD3 . PRO C 1 177 ? 8.918 -13.942 -0.762 1.00 17.50 ? 177 PRO C HD3 1 ATOM 9752 N N . LEU C 1 178 ? 3.759 -14.705 -1.818 1.00 12.15 ? 178 LEU C N 1 ATOM 9753 C CA A LEU C 1 178 ? 2.722 -15.226 -2.692 0.57 11.00 ? 178 LEU C CA 1 ATOM 9754 C CA B LEU C 1 178 ? 2.677 -15.190 -2.674 0.43 11.07 ? 178 LEU C CA 1 ATOM 9755 C C . LEU C 1 178 ? 2.788 -14.506 -4.026 1.00 15.43 ? 178 LEU C C 1 ATOM 9756 O O . LEU C 1 178 ? 3.353 -13.408 -4.130 1.00 11.70 ? 178 LEU C O 1 ATOM 9757 C CB A LEU C 1 178 ? 1.361 -15.072 -2.035 0.57 12.32 ? 178 LEU C CB 1 ATOM 9758 C CB B LEU C 1 178 ? 1.318 -14.873 -2.042 0.43 11.43 ? 178 LEU C CB 1 ATOM 9759 C CG A LEU C 1 178 ? 1.096 -16.140 -0.972 0.57 14.80 ? 178 LEU C CG 1 ATOM 9760 C CG B LEU C 1 178 ? 0.810 -15.753 -0.894 0.43 12.25 ? 178 LEU C CG 1 ATOM 9761 C CD1 A LEU C 1 178 ? 1.827 -15.848 0.337 0.57 6.63 ? 178 LEU C CD1 1 ATOM 9762 C CD1 B LEU C 1 178 ? -0.545 -15.285 -0.512 0.43 24.63 ? 178 LEU C CD1 1 ATOM 9763 C CD2 A LEU C 1 178 ? -0.389 -16.279 -0.744 0.57 20.92 ? 178 LEU C CD2 1 ATOM 9764 C CD2 B LEU C 1 178 ? 0.744 -17.222 -1.304 0.43 7.34 ? 178 LEU C CD2 1 ATOM 9765 H H A LEU C 1 178 ? 3.469 -14.219 -1.171 0.57 14.56 ? 178 LEU C H 1 ATOM 9766 H H B LEU C 1 178 ? 3.484 -14.224 -1.161 0.43 14.56 ? 178 LEU C H 1 ATOM 9767 H HA A LEU C 1 178 ? 2.881 -16.180 -2.849 0.57 13.19 ? 178 LEU C HA 1 ATOM 9768 H HA B LEU C 1 178 ? 2.755 -16.159 -2.798 0.43 13.27 ? 178 LEU C HA 1 ATOM 9769 H HB2 A LEU C 1 178 ? 1.314 -14.203 -1.606 0.57 14.77 ? 178 LEU C HB2 1 ATOM 9770 H HB2 B LEU C 1 178 ? 1.355 -13.966 -1.702 0.43 13.70 ? 178 LEU C HB2 1 ATOM 9771 H HB3 A LEU C 1 178 ? 0.672 -15.146 -2.714 0.57 14.77 ? 178 LEU C HB3 1 ATOM 9772 H HB3 B LEU C 1 178 ? 0.650 -14.918 -2.744 0.43 13.70 ? 178 LEU C HB3 1 ATOM 9773 H HG A LEU C 1 178 ? 1.421 -16.991 -1.304 0.57 17.74 ? 178 LEU C HG 1 ATOM 9774 H HG B LEU C 1 178 ? 1.399 -15.668 -0.128 0.43 14.69 ? 178 LEU C HG 1 ATOM 9775 H HD11 A LEU C 1 178 ? 1.628 -16.544 0.967 0.57 7.95 ? 178 LEU C HD11 1 ATOM 9776 H HD11 B LEU C 1 178 ? -0.872 -15.831 0.207 0.43 29.54 ? 178 LEU C HD11 1 ATOM 9777 H HD12 A LEU C 1 178 ? 2.771 -15.820 0.167 0.57 7.95 ? 178 LEU C HD12 1 ATOM 9778 H HD12 B LEU C 1 178 ? -0.491 -14.369 -0.231 0.43 29.54 ? 178 LEU C HD12 1 ATOM 9779 H HD13 A LEU C 1 178 ? 1.529 -15.001 0.678 0.57 7.95 ? 178 LEU C HD13 1 ATOM 9780 H HD13 B LEU C 1 178 ? -1.127 -15.361 -1.272 0.43 29.54 ? 178 LEU C HD13 1 ATOM 9781 H HD21 A LEU C 1 178 ? -0.540 -16.951 -0.076 0.57 25.09 ? 178 LEU C HD21 1 ATOM 9782 H HD21 B LEU C 1 178 ? 0.423 -17.739 -0.561 0.43 8.79 ? 178 LEU C HD21 1 ATOM 9783 H HD22 A LEU C 1 178 ? -0.739 -15.436 -0.447 0.57 25.09 ? 178 LEU C HD22 1 ATOM 9784 H HD22 B LEU C 1 178 ? 0.144 -17.312 -2.049 0.43 8.79 ? 178 LEU C HD22 1 ATOM 9785 H HD23 A LEU C 1 178 ? -0.808 -16.536 -1.569 0.57 25.09 ? 178 LEU C HD23 1 ATOM 9786 H HD23 B LEU C 1 178 ? 1.623 -17.517 -1.553 0.43 8.79 ? 178 LEU C HD23 1 ATOM 9787 N N . PRO C 1 179 ? 2.230 -15.122 -5.071 1.00 15.41 ? 179 PRO C N 1 ATOM 9788 C CA . PRO C 1 179 ? 2.304 -14.542 -6.408 1.00 16.37 ? 179 PRO C CA 1 ATOM 9789 C C . PRO C 1 179 ? 1.830 -13.112 -6.475 1.00 9.91 ? 179 PRO C C 1 ATOM 9790 O O . PRO C 1 179 ? 0.773 -12.793 -6.001 1.00 13.75 ? 179 PRO C O 1 ATOM 9791 C CB . PRO C 1 179 ? 1.340 -15.430 -7.214 1.00 16.43 ? 179 PRO C CB 1 ATOM 9792 C CG . PRO C 1 179 ? 1.383 -16.746 -6.512 1.00 17.66 ? 179 PRO C CG 1 ATOM 9793 C CD . PRO C 1 179 ? 1.455 -16.386 -5.046 1.00 18.14 ? 179 PRO C CD 1 ATOM 9794 H HA . PRO C 1 179 ? 3.210 -14.614 -6.774 1.00 19.64 ? 179 PRO C HA 1 ATOM 9795 H HB2 . PRO C 1 179 ? 0.447 -15.054 -7.189 1.00 19.70 ? 179 PRO C HB2 1 ATOM 9796 H HB3 . PRO C 1 179 ? 1.656 -15.514 -8.127 1.00 19.70 ? 179 PRO C HB3 1 ATOM 9797 H HG2 . PRO C 1 179 ? 0.576 -17.249 -6.705 1.00 21.18 ? 179 PRO C HG2 1 ATOM 9798 H HG3 . PRO C 1 179 ? 2.172 -17.239 -6.786 1.00 21.18 ? 179 PRO C HG3 1 ATOM 9799 H HD2 . PRO C 1 179 ? 0.567 -16.235 -4.688 1.00 21.76 ? 179 PRO C HD2 1 ATOM 9800 H HD3 . PRO C 1 179 ? 1.932 -17.070 -4.550 1.00 21.76 ? 179 PRO C HD3 1 ATOM 9801 N N . ALA C 1 180 ? 2.664 -12.285 -7.132 1.00 12.97 ? 180 ALA C N 1 ATOM 9802 C CA . ALA C 1 180 ? 2.450 -10.843 -7.229 1.00 8.87 ? 180 ALA C CA 1 ATOM 9803 C C . ALA C 1 180 ? 2.206 -10.419 -8.667 1.00 11.89 ? 180 ALA C C 1 ATOM 9804 O O . ALA C 1 180 ? 2.928 -10.863 -9.561 1.00 17.64 ? 180 ALA C O 1 ATOM 9805 C CB . ALA C 1 180 ? 3.648 -10.087 -6.684 1.00 11.05 ? 180 ALA C CB 1 ATOM 9806 H H . ALA C 1 180 ? 3.375 -12.550 -7.537 1.00 15.56 ? 180 ALA C H 1 ATOM 9807 H HA . ALA C 1 180 ? 1.664 -10.596 -6.698 1.00 10.63 ? 180 ALA C HA 1 ATOM 9808 H HB1 . ALA C 1 180 ? 3.482 -9.144 -6.759 1.00 13.25 ? 180 ALA C HB1 1 ATOM 9809 H HB2 . ALA C 1 180 ? 3.775 -10.325 -5.763 1.00 13.25 ? 180 ALA C HB2 1 ATOM 9810 H HB3 . ALA C 1 180 ? 4.425 -10.324 -7.195 1.00 13.25 ? 180 ALA C HB3 1 ATOM 9811 N N . ASN C 1 181 ? 1.229 -9.543 -8.888 1.00 10.43 ? 181 ASN C N 1 ATOM 9812 C CA . ASN C 1 181 ? 0.727 -9.279 -10.219 1.00 11.21 ? 181 ASN C CA 1 ATOM 9813 C C . ASN C 1 181 ? 0.978 -7.889 -10.754 1.00 12.71 ? 181 ASN C C 1 ATOM 9814 O O . ASN C 1 181 ? 0.600 -7.610 -11.908 1.00 15.79 ? 181 ASN C O 1 ATOM 9815 C CB . ASN C 1 181 ? -0.790 -9.609 -10.317 1.00 11.44 ? 181 ASN C CB 1 ATOM 9816 C CG . ASN C 1 181 ? -1.643 -8.836 -9.320 1.00 15.62 ? 181 ASN C CG 1 ATOM 9817 O OD1 . ASN C 1 181 ? -1.142 -8.026 -8.535 1.00 13.19 ? 181 ASN C OD1 1 ATOM 9818 N ND2 . ASN C 1 181 ? -2.953 -9.108 -9.335 1.00 16.67 ? 181 ASN C ND2 1 ATOM 9819 H H . ASN C 1 181 ? 0.841 -9.087 -8.271 1.00 12.50 ? 181 ASN C H 1 ATOM 9820 H HA . ASN C 1 181 ? 1.184 -9.895 -10.829 1.00 13.44 ? 181 ASN C HA 1 ATOM 9821 H HB2 . ASN C 1 181 ? -1.102 -9.389 -11.209 1.00 13.72 ? 181 ASN C HB2 1 ATOM 9822 H HB3 . ASN C 1 181 ? -0.917 -10.556 -10.147 1.00 13.72 ? 181 ASN C HB3 1 ATOM 9823 H HD21 . ASN C 1 181 ? -3.557 -8.644 -8.718 1.00 19.99 ? 181 ASN C HD21 1 ATOM 9824 H HD22 . ASN C 1 181 ? -3.309 -9.770 -9.963 1.00 19.99 ? 181 ASN C HD22 1 ATOM 9825 N N . ILE C 1 182 ? 1.567 -6.973 -9.970 1.00 9.61 ? 182 ILE C N 1 ATOM 9826 C CA . ILE C 1 182 ? 2.005 -5.696 -10.515 1.00 10.18 ? 182 ILE C CA 1 ATOM 9827 C C . ILE C 1 182 ? 3.524 -5.636 -10.773 1.00 8.81 ? 182 ILE C C 1 ATOM 9828 O O . ILE C 1 182 ? 3.964 -5.265 -11.846 1.00 10.79 ? 182 ILE C O 1 ATOM 9829 C CB . ILE C 1 182 ? 1.566 -4.482 -9.596 1.00 9.85 ? 182 ILE C CB 1 ATOM 9830 C CG1 . ILE C 1 182 ? 0.041 -4.482 -9.421 1.00 11.81 ? 182 ILE C CG1 1 ATOM 9831 C CG2 . ILE C 1 182 ? 2.067 -3.149 -10.155 1.00 12.99 ? 182 ILE C CG2 1 ATOM 9832 C CD1 . ILE C 1 182 ? -0.449 -3.390 -8.483 1.00 13.30 ? 182 ILE C CD1 1 ATOM 9833 H H . ILE C 1 182 ? 1.720 -7.072 -9.130 1.00 11.51 ? 182 ILE C H 1 ATOM 9834 H HA . ILE C 1 182 ? 1.564 -5.572 -11.382 1.00 12.21 ? 182 ILE C HA 1 ATOM 9835 H HB . ILE C 1 182 ? 1.967 -4.609 -8.721 1.00 11.81 ? 182 ILE C HB 1 ATOM 9836 H HG12 . ILE C 1 182 ? -0.375 -4.343 -10.286 1.00 14.16 ? 182 ILE C HG12 1 ATOM 9837 H HG13 . ILE C 1 182 ? -0.234 -5.337 -9.054 1.00 14.16 ? 182 ILE C HG13 1 ATOM 9838 H HG21 . ILE C 1 182 ? 1.782 -2.440 -9.574 1.00 15.58 ? 182 ILE C HG21 1 ATOM 9839 H HG22 . ILE C 1 182 ? 3.025 -3.170 -10.201 1.00 15.58 ? 182 ILE C HG22 1 ATOM 9840 H HG23 . ILE C 1 182 ? 1.699 -3.020 -11.033 1.00 15.58 ? 182 ILE C HG23 1 ATOM 9841 H HD11 . ILE C 1 182 ? -1.406 -3.442 -8.416 1.00 15.94 ? 182 ILE C HD11 1 ATOM 9842 H HD12 . ILE C 1 182 ? -0.052 -3.519 -7.619 1.00 15.94 ? 182 ILE C HD12 1 ATOM 9843 H HD13 . ILE C 1 182 ? -0.192 -2.535 -8.837 1.00 15.94 ? 182 ILE C HD13 1 ATOM 9844 N N . LEU C 1 183 ? 4.322 -5.968 -9.770 1.00 7.88 ? 183 LEU C N 1 ATOM 9845 C CA . LEU C 1 183 ? 5.774 -6.086 -9.903 1.00 6.95 ? 183 LEU C CA 1 ATOM 9846 C C . LEU C 1 183 ? 6.188 -7.367 -9.216 1.00 7.21 ? 183 LEU C C 1 ATOM 9847 O O . LEU C 1 183 ? 5.666 -7.712 -8.158 1.00 7.63 ? 183 LEU C O 1 ATOM 9848 C CB . LEU C 1 183 ? 6.511 -4.907 -9.240 1.00 9.38 ? 183 LEU C CB 1 ATOM 9849 C CG . LEU C 1 183 ? 6.275 -3.556 -9.893 1.00 8.84 ? 183 LEU C CG 1 ATOM 9850 C CD1 . LEU C 1 183 ? 6.833 -2.419 -9.041 1.00 9.40 ? 183 LEU C CD1 1 ATOM 9851 C CD2 . LEU C 1 183 ? 6.894 -3.473 -11.262 1.00 11.09 ? 183 LEU C CD2 1 ATOM 9852 H H . LEU C 1 183 ? 4.040 -6.138 -8.975 1.00 9.45 ? 183 LEU C H 1 ATOM 9853 H HA . LEU C 1 183 ? 6.024 -6.131 -10.849 1.00 8.33 ? 183 LEU C HA 1 ATOM 9854 H HB2 . LEU C 1 183 ? 6.221 -4.841 -8.317 1.00 11.24 ? 183 LEU C HB2 1 ATOM 9855 H HB3 . LEU C 1 183 ? 7.465 -5.084 -9.269 1.00 11.24 ? 183 LEU C HB3 1 ATOM 9856 H HG . LEU C 1 183 ? 5.320 -3.416 -9.988 1.00 10.60 ? 183 LEU C HG 1 ATOM 9857 H HD11 . LEU C 1 183 ? 6.665 -1.585 -9.486 1.00 11.27 ? 183 LEU C HD11 1 ATOM 9858 H HD12 . LEU C 1 183 ? 6.398 -2.428 -8.185 1.00 11.27 ? 183 LEU C HD12 1 ATOM 9859 H HD13 . LEU C 1 183 ? 7.778 -2.547 -8.930 1.00 11.27 ? 183 LEU C HD13 1 ATOM 9860 H HD21 . LEU C 1 183 ? 6.719 -2.605 -11.632 1.00 13.30 ? 183 LEU C HD21 1 ATOM 9861 H HD22 . LEU C 1 183 ? 7.841 -3.612 -11.186 1.00 13.30 ? 183 LEU C HD22 1 ATOM 9862 H HD23 . LEU C 1 183 ? 6.508 -4.152 -11.821 1.00 13.30 ? 183 LEU C HD23 1 ATOM 9863 N N . ASP C 1 184 ? 7.127 -8.080 -9.823 1.00 9.55 ? 184 ASP C N 1 ATOM 9864 C CA . ASP C 1 184 ? 7.542 -9.393 -9.327 1.00 8.26 ? 184 ASP C CA 1 ATOM 9865 C C . ASP C 1 184 ? 9.032 -9.554 -9.532 1.00 9.19 ? 184 ASP C C 1 ATOM 9866 O O . ASP C 1 184 ? 9.516 -9.580 -10.678 1.00 9.61 ? 184 ASP C O 1 ATOM 9867 C CB . ASP C 1 184 ? 6.776 -10.441 -10.165 1.00 11.96 ? 184 ASP C CB 1 ATOM 9868 C CG . ASP C 1 184 ? 7.002 -11.860 -9.741 1.00 14.51 ? 184 ASP C CG 1 ATOM 9869 O OD1 . ASP C 1 184 ? 7.935 -12.233 -8.995 1.00 11.77 ? 184 ASP C OD1 1 ATOM 9870 O OD2 . ASP C 1 184 ? 6.157 -12.667 -10.251 1.00 19.67 ? 184 ASP C OD2 1 ATOM 9871 H H . ASP C 1 184 ? 7.545 -7.826 -10.530 1.00 11.45 ? 184 ASP C H 1 ATOM 9872 H HA . ASP C 1 184 ? 7.321 -9.496 -8.378 1.00 9.90 ? 184 ASP C HA 1 ATOM 9873 H HB2 . ASP C 1 184 ? 5.825 -10.261 -10.094 1.00 14.34 ? 184 ASP C HB2 1 ATOM 9874 H HB3 . ASP C 1 184 ? 7.055 -10.363 -11.091 1.00 14.34 ? 184 ASP C HB3 1 ATOM 9875 N N . TRP C 1 185 ? 9.776 -9.631 -8.427 1.00 8.62 ? 185 TRP C N 1 ATOM 9876 C CA . TRP C 1 185 ? 11.245 -9.748 -8.464 1.00 7.07 ? 185 TRP C CA 1 ATOM 9877 C C . TRP C 1 185 ? 11.729 -10.946 -9.286 1.00 9.05 ? 185 TRP C C 1 ATOM 9878 O O . TRP C 1 185 ? 12.847 -10.918 -9.784 1.00 8.56 ? 185 TRP C O 1 ATOM 9879 C CB . TRP C 1 185 ? 11.761 -9.887 -7.006 1.00 8.17 ? 185 TRP C CB 1 ATOM 9880 C CG . TRP C 1 185 ? 13.200 -9.503 -6.789 1.00 7.20 ? 185 TRP C CG 1 ATOM 9881 C CD1 . TRP C 1 185 ? 14.217 -10.312 -6.374 1.00 8.09 ? 185 TRP C CD1 1 ATOM 9882 C CD2 . TRP C 1 185 ? 13.763 -8.192 -6.939 1.00 7.53 ? 185 TRP C CD2 1 ATOM 9883 N NE1 . TRP C 1 185 ? 15.392 -9.585 -6.256 1.00 9.05 ? 185 TRP C NE1 1 ATOM 9884 C CE2 . TRP C 1 185 ? 15.140 -8.290 -6.619 1.00 7.99 ? 185 TRP C CE2 1 ATOM 9885 C CE3 . TRP C 1 185 ? 13.242 -6.950 -7.311 1.00 7.94 ? 185 TRP C CE3 1 ATOM 9886 C CZ2 . TRP C 1 185 ? 15.983 -7.196 -6.678 1.00 8.47 ? 185 TRP C CZ2 1 ATOM 9887 C CZ3 . TRP C 1 185 ? 14.084 -5.860 -7.357 1.00 8.87 ? 185 TRP C CZ3 1 ATOM 9888 C CH2 . TRP C 1 185 ? 15.424 -5.987 -7.035 1.00 9.57 ? 185 TRP C CH2 1 ATOM 9889 H H . TRP C 1 185 ? 9.452 -9.618 -7.630 1.00 10.33 ? 185 TRP C H 1 ATOM 9890 H HA . TRP C 1 185 ? 11.627 -8.933 -8.852 1.00 8.47 ? 185 TRP C HA 1 ATOM 9891 H HB2 . TRP C 1 185 ? 11.219 -9.320 -6.434 1.00 9.79 ? 185 TRP C HB2 1 ATOM 9892 H HB3 . TRP C 1 185 ? 11.662 -10.812 -6.732 1.00 9.79 ? 185 TRP C HB3 1 ATOM 9893 H HD1 . TRP C 1 185 ? 14.135 -11.222 -6.201 1.00 9.70 ? 185 TRP C HD1 1 ATOM 9894 H HE1 . TRP C 1 185 ? 16.160 -9.905 -6.039 1.00 10.85 ? 185 TRP C HE1 1 ATOM 9895 H HE3 . TRP C 1 185 ? 12.343 -6.862 -7.531 1.00 9.52 ? 185 TRP C HE3 1 ATOM 9896 H HZ2 . TRP C 1 185 ? 16.882 -7.265 -6.448 1.00 10.15 ? 185 TRP C HZ2 1 ATOM 9897 H HZ3 . TRP C 1 185 ? 13.749 -5.031 -7.616 1.00 10.63 ? 185 TRP C HZ3 1 ATOM 9898 H HH2 . TRP C 1 185 ? 15.971 -5.237 -7.084 1.00 11.47 ? 185 TRP C HH2 1 ATOM 9899 N N . GLN C 1 186 ? 10.894 -11.994 -9.361 1.00 9.19 ? 186 GLN C N 1 ATOM 9900 C CA . GLN C 1 186 ? 11.259 -13.207 -10.108 1.00 10.07 ? 186 GLN C CA 1 ATOM 9901 C C . GLN C 1 186 ? 10.939 -13.112 -11.596 1.00 10.01 ? 186 GLN C C 1 ATOM 9902 O O . GLN C 1 186 ? 11.253 -14.046 -12.339 1.00 10.44 ? 186 GLN C O 1 ATOM 9903 C CB . GLN C 1 186 ? 10.578 -14.399 -9.481 1.00 12.10 ? 186 GLN C CB 1 ATOM 9904 C CG . GLN C 1 186 ? 11.115 -14.659 -8.078 1.00 13.30 ? 186 GLN C CG 1 ATOM 9905 C CD . GLN C 1 186 ? 10.290 -15.630 -7.325 1.00 23.14 ? 186 GLN C CD 1 ATOM 9906 O OE1 . GLN C 1 186 ? 9.983 -16.714 -7.809 1.00 28.94 ? 186 GLN C OE1 1 ATOM 9907 N NE2 . GLN C 1 186 ? 9.889 -15.242 -6.121 1.00 22.35 ? 186 GLN C NE2 1 ATOM 9908 H H . GLN C 1 186 ? 10.119 -12.027 -8.991 1.00 11.01 ? 186 GLN C H 1 ATOM 9909 H HA . GLN C 1 186 ? 12.226 -13.343 -10.024 1.00 12.07 ? 186 GLN C HA 1 ATOM 9910 H HB2 . GLN C 1 186 ? 9.625 -14.229 -9.417 1.00 14.51 ? 186 GLN C HB2 1 ATOM 9911 H HB3 . GLN C 1 186 ? 10.744 -15.187 -10.023 1.00 14.51 ? 186 GLN C HB3 1 ATOM 9912 H HG2 . GLN C 1 186 ? 12.015 -15.017 -8.145 1.00 15.95 ? 186 GLN C HG2 1 ATOM 9913 H HG3 . GLN C 1 186 ? 11.125 -13.825 -7.584 1.00 15.95 ? 186 GLN C HG3 1 ATOM 9914 H HE21 . GLN C 1 186 ? 9.407 -15.766 -5.638 1.00 26.81 ? 186 GLN C HE21 1 ATOM 9915 H HE22 . GLN C 1 186 ? 10.111 -14.466 -5.823 1.00 26.81 ? 186 GLN C HE22 1 ATOM 9916 N N . ALA C 1 187 ? 10.336 -12.010 -12.039 1.00 9.29 ? 187 ALA C N 1 ATOM 9917 C CA . ALA C 1 187 ? 10.086 -11.762 -13.463 1.00 9.88 ? 187 ALA C CA 1 ATOM 9918 C C . ALA C 1 187 ? 9.892 -10.263 -13.673 1.00 10.18 ? 187 ALA C C 1 ATOM 9919 O O . ALA C 1 187 ? 8.788 -9.765 -13.907 1.00 11.07 ? 187 ALA C O 1 ATOM 9920 C CB . ALA C 1 187 ? 8.855 -12.554 -13.955 1.00 10.93 ? 187 ALA C CB 1 ATOM 9921 H H . ALA C 1 187 ? 10.057 -11.378 -11.526 1.00 11.13 ? 187 ALA C H 1 ATOM 9922 H HA . ALA C 1 187 ? 10.865 -12.048 -13.984 1.00 11.84 ? 187 ALA C HA 1 ATOM 9923 H HB1 . ALA C 1 187 ? 8.719 -12.371 -14.888 1.00 13.10 ? 187 ALA C HB1 1 ATOM 9924 H HB2 . ALA C 1 187 ? 9.016 -13.492 -13.826 1.00 13.10 ? 187 ALA C HB2 1 ATOM 9925 H HB3 . ALA C 1 187 ? 8.086 -12.281 -13.451 1.00 13.10 ? 187 ALA C HB3 1 ATOM 9926 N N . LEU C 1 188 ? 11.006 -9.552 -13.505 1.00 9.92 ? 188 LEU C N 1 ATOM 9927 C CA . LEU C 1 188 ? 11.010 -8.092 -13.397 1.00 10.24 ? 188 LEU C CA 1 ATOM 9928 C C . LEU C 1 188 ? 11.480 -7.471 -14.703 1.00 7.88 ? 188 LEU C C 1 ATOM 9929 O O . LEU C 1 188 ? 12.513 -7.854 -15.253 1.00 10.38 ? 188 LEU C O 1 ATOM 9930 C CB . LEU C 1 188 ? 11.932 -7.670 -12.247 1.00 9.12 ? 188 LEU C CB 1 ATOM 9931 C CG . LEU C 1 188 ? 11.799 -6.177 -11.864 1.00 8.89 ? 188 LEU C CG 1 ATOM 9932 C CD1 . LEU C 1 188 ? 10.455 -5.967 -11.151 1.00 14.12 ? 188 LEU C CD1 1 ATOM 9933 C CD2 . LEU C 1 188 ? 12.901 -5.816 -10.939 1.00 9.36 ? 188 LEU C CD2 1 ATOM 9934 H H . LEU C 1 188 ? 11.790 -9.900 -13.449 1.00 11.89 ? 188 LEU C H 1 ATOM 9935 H HA . LEU C 1 188 ? 10.104 -7.773 -13.206 1.00 12.28 ? 188 LEU C HA 1 ATOM 9936 H HB2 . LEU C 1 188 ? 11.716 -8.199 -11.462 1.00 10.93 ? 188 LEU C HB2 1 ATOM 9937 H HB3 . LEU C 1 188 ? 12.852 -7.830 -12.508 1.00 10.93 ? 188 LEU C HB3 1 ATOM 9938 H HG . LEU C 1 188 ? 11.840 -5.617 -12.655 1.00 10.65 ? 188 LEU C HG 1 ATOM 9939 H HD11 . LEU C 1 188 ? 10.370 -5.041 -10.913 1.00 16.93 ? 188 LEU C HD11 1 ATOM 9940 H HD12 . LEU C 1 188 ? 9.744 -6.220 -11.745 1.00 16.93 ? 188 LEU C HD12 1 ATOM 9941 H HD13 . LEU C 1 188 ? 10.432 -6.513 -10.362 1.00 16.93 ? 188 LEU C HD13 1 ATOM 9942 H HD21 . LEU C 1 188 ? 12.818 -4.889 -10.702 1.00 11.22 ? 188 LEU C HD21 1 ATOM 9943 H HD22 . LEU C 1 188 ? 12.839 -6.362 -10.152 1.00 11.22 ? 188 LEU C HD22 1 ATOM 9944 H HD23 . LEU C 1 188 ? 13.740 -5.968 -11.379 1.00 11.22 ? 188 LEU C HD23 1 ATOM 9945 N N . ASN C 1 189 ? 10.729 -6.474 -15.171 1.00 10.04 ? 189 ASN C N 1 ATOM 9946 C CA . ASN C 1 189 ? 11.107 -5.687 -16.338 1.00 11.56 ? 189 ASN C CA 1 ATOM 9947 C C . ASN C 1 189 ? 11.663 -4.361 -15.815 1.00 10.51 ? 189 ASN C C 1 ATOM 9948 O O . ASN C 1 189 ? 10.924 -3.605 -15.173 1.00 10.22 ? 189 ASN C O 1 ATOM 9949 C CB . ASN C 1 189 ? 9.861 -5.468 -17.191 1.00 12.24 ? 189 ASN C CB 1 ATOM 9950 C CG . ASN C 1 189 ? 10.159 -5.017 -18.562 1.00 25.18 ? 189 ASN C CG 1 ATOM 9951 O OD1 . ASN C 1 189 ? 11.305 -5.053 -19.013 1.00 28.30 ? 189 ASN C OD1 1 ATOM 9952 N ND2 . ASN C 1 189 ? 9.102 -4.607 -19.277 1.00 23.84 ? 189 ASN C ND2 1 ATOM 9953 H H . ASN C 1 189 ? 9.982 -6.232 -14.821 1.00 12.03 ? 189 ASN C H 1 ATOM 9954 H HA . ASN C 1 189 ? 11.792 -6.150 -16.863 1.00 13.86 ? 189 ASN C HA 1 ATOM 9955 H HB2 . ASN C 1 189 ? 9.372 -6.304 -17.253 1.00 14.67 ? 189 ASN C HB2 1 ATOM 9956 H HB3 . ASN C 1 189 ? 9.307 -4.792 -16.770 1.00 14.67 ? 189 ASN C HB3 1 ATOM 9957 H HD21 . ASN C 1 189 ? 9.225 -4.293 -20.198 1.00 28.60 ? 189 ASN C HD21 1 ATOM 9958 H HD22 . ASN C 1 189 ? 8.206 -4.621 -18.880 1.00 28.60 ? 189 ASN C HD22 1 ATOM 9959 N N . TYR C 1 190 ? 12.937 -4.107 -16.050 1.00 11.41 ? 190 TYR C N 1 ATOM 9960 C CA . TYR C 1 190 ? 13.576 -2.924 -15.484 1.00 11.85 ? 190 TYR C CA 1 ATOM 9961 C C . TYR C 1 190 ? 14.583 -2.344 -16.451 1.00 11.82 ? 190 TYR C C 1 ATOM 9962 O O . TYR C 1 190 ? 14.994 -3.008 -17.439 1.00 12.69 ? 190 TYR C O 1 ATOM 9963 C CB . TYR C 1 190 ? 14.258 -3.285 -14.163 1.00 11.26 ? 190 TYR C CB 1 ATOM 9964 C CG . TYR C 1 190 ? 15.381 -4.265 -14.304 1.00 12.02 ? 190 TYR C CG 1 ATOM 9965 C CD1 . TYR C 1 190 ? 16.672 -3.846 -14.577 1.00 10.48 ? 190 TYR C CD1 1 ATOM 9966 C CD2 . TYR C 1 190 ? 15.149 -5.631 -14.194 1.00 13.12 ? 190 TYR C CD2 1 ATOM 9967 C CE1 . TYR C 1 190 ? 17.711 -4.764 -14.757 1.00 11.83 ? 190 TYR C CE1 1 ATOM 9968 C CE2 . TYR C 1 190 ? 16.166 -6.534 -14.341 1.00 16.51 ? 190 TYR C CE2 1 ATOM 9969 C CZ . TYR C 1 190 ? 17.428 -6.117 -14.625 1.00 18.20 ? 190 TYR C CZ 1 ATOM 9970 O OH . TYR C 1 190 ? 18.471 -7.011 -14.805 1.00 25.54 ? 190 TYR C OH 1 ATOM 9971 H H . TYR C 1 190 ? 13.456 -4.597 -16.530 1.00 13.67 ? 190 TYR C H 1 ATOM 9972 H HA . TYR C 1 190 ? 12.895 -2.243 -15.304 1.00 14.21 ? 190 TYR C HA 1 ATOM 9973 H HB2 . TYR C 1 190 ? 14.619 -2.476 -13.768 1.00 13.50 ? 190 TYR C HB2 1 ATOM 9974 H HB3 . TYR C 1 190 ? 13.598 -3.674 -13.568 1.00 13.50 ? 190 TYR C HB3 1 ATOM 9975 H HD1 . TYR C 1 190 ? 16.845 -2.938 -14.676 1.00 12.56 ? 190 TYR C HD1 1 ATOM 9976 H HD2 . TYR C 1 190 ? 14.290 -5.936 -14.009 1.00 15.74 ? 190 TYR C HD2 1 ATOM 9977 H HE1 . TYR C 1 190 ? 18.575 -4.475 -14.942 1.00 14.19 ? 190 TYR C HE1 1 ATOM 9978 H HE2 . TYR C 1 190 ? 15.988 -7.444 -14.269 1.00 19.80 ? 190 TYR C HE2 1 ATOM 9979 H HH . TYR C 1 190 ? 19.064 -6.864 -14.257 1.00 30.64 ? 190 TYR C HH 1 ATOM 9980 N N . GLU C 1 191 ? 15.032 -1.131 -16.148 1.00 11.03 ? 191 GLU C N 1 ATOM 9981 C CA . GLU C 1 191 ? 16.083 -0.443 -16.883 1.00 9.86 ? 191 GLU C CA 1 ATOM 9982 C C . GLU C 1 191 ? 17.046 0.169 -15.893 1.00 10.85 ? 191 GLU C C 1 ATOM 9983 O O . GLU C 1 191 ? 16.628 0.991 -15.085 1.00 12.22 ? 191 GLU C O 1 ATOM 9984 C CB . GLU C 1 191 ? 15.502 0.697 -17.750 1.00 11.86 ? 191 GLU C CB 1 ATOM 9985 C CG . GLU C 1 191 ? 14.473 0.255 -18.755 1.00 15.85 ? 191 GLU C CG 1 ATOM 9986 C CD . GLU C 1 191 ? 13.712 1.396 -19.417 1.00 23.94 ? 191 GLU C CD 1 ATOM 9987 O OE1 . GLU C 1 191 ? 13.651 2.522 -18.868 1.00 19.40 ? 191 GLU C OE1 1 ATOM 9988 O OE2 . GLU C 1 191 ? 13.146 1.145 -20.515 1.00 24.57 ? 191 GLU C OE2 1 ATOM 9989 H H . GLU C 1 191 ? 14.727 -0.668 -15.490 1.00 13.22 ? 191 GLU C H 1 ATOM 9990 H HA . GLU C 1 191 ? 16.565 -1.074 -17.457 1.00 11.82 ? 191 GLU C HA 1 ATOM 9991 H HB2 . GLU C 1 191 ? 15.083 1.348 -17.166 1.00 14.22 ? 191 GLU C HB2 1 ATOM 9992 H HB3 . GLU C 1 191 ? 16.228 1.116 -18.238 1.00 14.22 ? 191 GLU C HB3 1 ATOM 9993 H HG2 . GLU C 1 191 ? 14.918 -0.248 -19.454 1.00 19.01 ? 191 GLU C HG2 1 ATOM 9994 H HG3 . GLU C 1 191 ? 13.824 -0.310 -18.307 1.00 19.01 ? 191 GLU C HG3 1 ATOM 9995 N N . ILE C 1 192 ? 18.313 -0.214 -15.939 1.00 11.87 ? 192 ILE C N 1 ATOM 9996 C CA . ILE C 1 192 ? 19.357 0.431 -15.166 1.00 9.98 ? 192 ILE C CA 1 ATOM 9997 C C . ILE C 1 192 ? 19.833 1.677 -15.891 1.00 10.48 ? 192 ILE C C 1 ATOM 9998 O O . ILE C 1 192 ? 20.115 1.625 -17.099 1.00 11.92 ? 192 ILE C O 1 ATOM 9999 C CB . ILE C 1 192 ? 20.512 -0.521 -14.930 1.00 10.83 ? 192 ILE C CB 1 ATOM 10000 C CG1 . ILE C 1 192 ? 20.107 -1.518 -13.837 1.00 14.79 ? 192 ILE C CG1 1 ATOM 10001 C CG2 . ILE C 1 192 ? 21.767 0.214 -14.511 1.00 12.26 ? 192 ILE C CG2 1 ATOM 10002 C CD1 . ILE C 1 192 ? 21.088 -2.692 -13.640 1.00 13.80 ? 192 ILE C CD1 1 ATOM 10003 H H . ILE C 1 192 ? 18.598 -0.863 -16.425 1.00 14.24 ? 192 ILE C H 1 ATOM 10004 H HA . ILE C 1 192 ? 18.996 0.700 -14.296 1.00 11.97 ? 192 ILE C HA 1 ATOM 10005 H HB . ILE C 1 192 ? 20.691 -1.008 -15.749 1.00 12.98 ? 192 ILE C HB 1 ATOM 10006 H HG12 . ILE C 1 192 ? 20.044 -1.043 -12.993 1.00 17.74 ? 192 ILE C HG12 1 ATOM 10007 H HG13 . ILE C 1 192 ? 19.242 -1.893 -14.065 1.00 17.74 ? 192 ILE C HG13 1 ATOM 10008 H HG21 . ILE C 1 192 ? 22.471 -0.425 -14.372 1.00 14.70 ? 192 ILE C HG21 1 ATOM 10009 H HG22 . ILE C 1 192 ? 22.015 0.829 -15.205 1.00 14.70 ? 192 ILE C HG22 1 ATOM 10010 H HG23 . ILE C 1 192 ? 21.592 0.691 -13.697 1.00 14.70 ? 192 ILE C HG23 1 ATOM 10011 H HD11 . ILE C 1 192 ? 20.757 -3.261 -12.941 1.00 16.55 ? 192 ILE C HD11 1 ATOM 10012 H HD12 . ILE C 1 192 ? 21.153 -3.184 -14.461 1.00 16.55 ? 192 ILE C HD12 1 ATOM 10013 H HD13 . ILE C 1 192 ? 21.949 -2.342 -13.398 1.00 16.55 ? 192 ILE C HD13 1 ATOM 10014 N N . ARG C 1 193 ? 19.924 2.781 -15.165 1.00 11.39 ? 193 ARG C N 1 ATOM 10015 C CA . ARG C 1 193 ? 20.460 4.022 -15.695 1.00 10.18 ? 193 ARG C CA 1 ATOM 10016 C C . ARG C 1 193 ? 21.545 4.511 -14.775 1.00 11.82 ? 193 ARG C C 1 ATOM 10017 O O . ARG C 1 193 ? 21.375 4.616 -13.551 1.00 13.28 ? 193 ARG C O 1 ATOM 10018 C CB . ARG C 1 193 ? 19.348 5.058 -15.868 1.00 12.74 ? 193 ARG C CB 1 ATOM 10019 C CG . ARG C 1 193 ? 18.288 4.651 -16.882 1.00 15.33 ? 193 ARG C CG 1 ATOM 10020 C CD . ARG C 1 193 ? 18.844 4.649 -18.293 1.00 15.68 ? 193 ARG C CD 1 ATOM 10021 N NE . ARG C 1 193 ? 17.830 4.257 -19.283 1.00 19.91 ? 193 ARG C NE 1 ATOM 10022 C CZ . ARG C 1 193 ? 17.717 3.045 -19.829 1.00 22.18 ? 193 ARG C CZ 1 ATOM 10023 N NH1 . ARG C 1 193 ? 18.511 2.046 -19.464 1.00 16.87 ? 193 ARG C NH1 1 ATOM 10024 N NH2 . ARG C 1 193 ? 16.770 2.814 -20.737 1.00 21.44 ? 193 ARG C NH2 1 ATOM 10025 H H . ARG C 1 193 ? 19.676 2.836 -14.343 1.00 13.66 ? 193 ARG C H 1 ATOM 10026 H HA . ARG C 1 193 ? 20.858 3.851 -16.574 1.00 12.21 ? 193 ARG C HA 1 ATOM 10027 H HB2 . ARG C 1 193 ? 18.907 5.190 -15.015 1.00 15.27 ? 193 ARG C HB2 1 ATOM 10028 H HB3 . ARG C 1 193 ? 19.741 5.892 -16.168 1.00 15.27 ? 193 ARG C HB3 1 ATOM 10029 H HG2 . ARG C 1 193 ? 17.975 3.756 -16.677 1.00 18.38 ? 193 ARG C HG2 1 ATOM 10030 H HG3 . ARG C 1 193 ? 17.552 5.281 -16.846 1.00 18.38 ? 193 ARG C HG3 1 ATOM 10031 H HD2 . ARG C 1 193 ? 19.154 5.541 -18.514 1.00 18.81 ? 193 ARG C HD2 1 ATOM 10032 H HD3 . ARG C 1 193 ? 19.578 4.017 -18.345 1.00 18.81 ? 193 ARG C HD3 1 ATOM 10033 H HE . ARG C 1 193 ? 17.193 4.933 -19.561 1.00 23.88 ? 193 ARG C HE 1 ATOM 10034 H HH11 . ARG C 1 193 ? 19.130 2.179 -18.882 1.00 20.23 ? 193 ARG C HH11 1 ATOM 10035 H HH12 . ARG C 1 193 ? 18.416 1.269 -19.822 1.00 20.23 ? 193 ARG C HH12 1 ATOM 10036 H HH21 . ARG C 1 193 ? 16.240 3.447 -20.977 1.00 25.71 ? 193 ARG C HH21 1 ATOM 10037 H HH22 . ARG C 1 193 ? 16.684 2.029 -21.078 1.00 25.71 ? 193 ARG C HH22 1 ATOM 10038 N N . GLY C 1 194 ? 22.727 4.747 -15.316 1.00 14.96 ? 194 GLY C N 1 ATOM 10039 C CA . GLY C 1 194 ? 23.826 5.147 -14.479 1.00 12.63 ? 194 GLY C CA 1 ATOM 10040 C C . GLY C 1 194 ? 24.455 4.007 -13.725 1.00 11.61 ? 194 GLY C C 1 ATOM 10041 O O . GLY C 1 194 ? 24.473 2.882 -14.168 1.00 14.44 ? 194 GLY C O 1 ATOM 10042 H H . GLY C 1 194 ? 22.913 4.682 -16.153 1.00 17.94 ? 194 GLY C H 1 ATOM 10043 H HA2 . GLY C 1 194 ? 24.511 5.561 -15.028 1.00 15.15 ? 194 GLY C HA2 1 ATOM 10044 H HA3 . GLY C 1 194 ? 23.515 5.802 -13.835 1.00 15.15 ? 194 GLY C HA3 1 ATOM 10045 N N . TYR C 1 195 ? 24.972 4.327 -12.543 1.00 11.53 ? 195 TYR C N 1 ATOM 10046 C CA . TYR C 1 195 ? 25.771 3.376 -11.762 1.00 10.13 ? 195 TYR C CA 1 ATOM 10047 C C . TYR C 1 195 ? 24.901 2.593 -10.785 1.00 8.82 ? 195 TYR C C 1 ATOM 10048 O O . TYR C 1 195 ? 24.674 3.006 -9.652 1.00 10.40 ? 195 TYR C O 1 ATOM 10049 C CB . TYR C 1 195 ? 26.881 4.123 -11.043 1.00 11.02 ? 195 TYR C CB 1 ATOM 10050 C CG . TYR C 1 195 ? 27.935 3.268 -10.350 1.00 10.12 ? 195 TYR C CG 1 ATOM 10051 C CD1 . TYR C 1 195 ? 28.352 2.059 -10.889 1.00 11.46 ? 195 TYR C CD1 1 ATOM 10052 C CD2 . TYR C 1 195 ? 28.600 3.723 -9.209 1.00 11.00 ? 195 TYR C CD2 1 ATOM 10053 C CE1 . TYR C 1 195 ? 29.367 1.308 -10.277 1.00 11.63 ? 195 TYR C CE1 1 ATOM 10054 C CE2 . TYR C 1 195 ? 29.606 2.972 -8.592 1.00 10.48 ? 195 TYR C CE2 1 ATOM 10055 C CZ . TYR C 1 195 ? 29.994 1.772 -9.137 1.00 9.80 ? 195 TYR C CZ 1 ATOM 10056 O OH . TYR C 1 195 ? 30.992 1.052 -8.533 1.00 10.86 ? 195 TYR C OH 1 ATOM 10057 H H . TYR C 1 195 ? 24.876 5.093 -12.165 1.00 13.82 ? 195 TYR C H 1 ATOM 10058 H HA . TYR C 1 195 ? 26.187 2.734 -12.374 1.00 12.14 ? 195 TYR C HA 1 ATOM 10059 H HB2 . TYR C 1 195 ? 27.343 4.678 -11.692 1.00 13.21 ? 195 TYR C HB2 1 ATOM 10060 H HB3 . TYR C 1 195 ? 26.478 4.688 -10.366 1.00 13.21 ? 195 TYR C HB3 1 ATOM 10061 H HD1 . TYR C 1 195 ? 27.947 1.739 -11.663 1.00 13.74 ? 195 TYR C HD1 1 ATOM 10062 H HD2 . TYR C 1 195 ? 28.353 4.539 -8.838 1.00 13.19 ? 195 TYR C HD2 1 ATOM 10063 H HE1 . TYR C 1 195 ? 29.623 0.493 -10.646 1.00 13.95 ? 195 TYR C HE1 1 ATOM 10064 H HE2 . TYR C 1 195 ? 30.024 3.294 -7.826 1.00 12.56 ? 195 TYR C HE2 1 ATOM 10065 H HH . TYR C 1 195 ? 31.615 0.944 -9.055 1.00 13.03 ? 195 TYR C HH 1 ATOM 10066 N N . VAL C 1 196 ? 24.404 1.459 -11.267 1.00 8.90 ? 196 VAL C N 1 ATOM 10067 C CA . VAL C 1 196 ? 23.639 0.511 -10.463 1.00 10.21 ? 196 VAL C CA 1 ATOM 10068 C C . VAL C 1 196 ? 24.181 -0.860 -10.876 1.00 10.51 ? 196 VAL C C 1 ATOM 10069 O O . VAL C 1 196 ? 24.279 -1.163 -12.086 1.00 12.24 ? 196 VAL C O 1 ATOM 10070 C CB . VAL C 1 196 ? 22.132 0.576 -10.732 1.00 9.43 ? 196 VAL C CB 1 ATOM 10071 C CG1 . VAL C 1 196 ? 21.383 -0.301 -9.725 1.00 11.79 ? 196 VAL C CG1 1 ATOM 10072 C CG2 . VAL C 1 196 ? 21.618 2.014 -10.664 1.00 12.01 ? 196 VAL C CG2 1 ATOM 10073 H H . VAL C 1 196 ? 24.499 1.210 -12.084 1.00 10.67 ? 196 VAL C H 1 ATOM 10074 H HA . VAL C 1 196 ? 23.808 0.655 -9.509 1.00 12.24 ? 196 VAL C HA 1 ATOM 10075 H HB . VAL C 1 196 ? 21.951 0.230 -11.631 1.00 11.31 ? 196 VAL C HB 1 ATOM 10076 H HG11 . VAL C 1 196 ? 20.441 -0.249 -9.906 1.00 14.14 ? 196 VAL C HG11 1 ATOM 10077 H HG12 . VAL C 1 196 ? 21.685 -1.207 -9.815 1.00 14.14 ? 196 VAL C HG12 1 ATOM 10078 H HG13 . VAL C 1 196 ? 21.564 0.019 -8.838 1.00 14.14 ? 196 VAL C HG13 1 ATOM 10079 H HG21 . VAL C 1 196 ? 20.673 2.016 -10.837 1.00 14.40 ? 196 VAL C HG21 1 ATOM 10080 H HG22 . VAL C 1 196 ? 21.791 2.366 -9.788 1.00 14.40 ? 196 VAL C HG22 1 ATOM 10081 H HG23 . VAL C 1 196 ? 22.073 2.540 -11.325 1.00 14.40 ? 196 VAL C HG23 1 ATOM 10082 N N . ILE C 1 197 ? 24.528 -1.672 -9.885 1.00 8.99 ? 197 ILE C N 1 ATOM 10083 C CA . ILE C 1 197 ? 25.153 -2.968 -10.108 1.00 8.14 ? 197 ILE C CA 1 ATOM 10084 C C . ILE C 1 197 ? 24.303 -4.064 -9.496 1.00 10.02 ? 197 ILE C C 1 ATOM 10085 O O . ILE C 1 197 ? 23.817 -3.919 -8.366 1.00 9.89 ? 197 ILE C O 1 ATOM 10086 C CB . ILE C 1 197 ? 26.552 -3.046 -9.455 1.00 9.97 ? 197 ILE C CB 1 ATOM 10087 C CG1 . ILE C 1 197 ? 27.437 -1.912 -9.958 1.00 9.33 ? 197 ILE C CG1 1 ATOM 10088 C CG2 . ILE C 1 197 ? 27.170 -4.450 -9.659 1.00 10.94 ? 197 ILE C CG2 1 ATOM 10089 C CD1 . ILE C 1 197 ? 27.813 -2.031 -11.438 1.00 10.99 ? 197 ILE C CD1 1 ATOM 10090 H H . ILE C 1 197 ? 24.408 -1.488 -9.053 1.00 10.78 ? 197 ILE C H 1 ATOM 10091 H HA . ILE C 1 197 ? 25.242 -3.134 -11.070 1.00 9.76 ? 197 ILE C HA 1 ATOM 10092 H HB . ILE C 1 197 ? 26.434 -2.918 -8.501 1.00 11.95 ? 197 ILE C HB 1 ATOM 10093 H HG12 . ILE C 1 197 ? 26.967 -1.072 -9.838 1.00 11.19 ? 197 ILE C HG12 1 ATOM 10094 H HG13 . ILE C 1 197 ? 28.259 -1.905 -9.443 1.00 11.19 ? 197 ILE C HG13 1 ATOM 10095 H HG21 . ILE C 1 197 ? 28.036 -4.473 -9.246 1.00 13.12 ? 197 ILE C HG21 1 ATOM 10096 H HG22 . ILE C 1 197 ? 26.597 -5.105 -9.254 1.00 13.12 ? 197 ILE C HG22 1 ATOM 10097 H HG23 . ILE C 1 197 ? 27.251 -4.622 -10.600 1.00 13.12 ? 197 ILE C HG23 1 ATOM 10098 H HD11 . ILE C 1 197 ? 28.368 -1.286 -11.680 1.00 13.18 ? 197 ILE C HD11 1 ATOM 10099 H HD12 . ILE C 1 197 ? 28.291 -2.853 -11.573 1.00 13.18 ? 197 ILE C HD12 1 ATOM 10100 H HD13 . ILE C 1 197 ? 27.011 -2.028 -11.965 1.00 13.18 ? 197 ILE C HD13 1 ATOM 10101 N N . ILE C 1 198 ? 24.085 -5.155 -10.221 1.00 9.36 ? 198 ILE C N 1 ATOM 10102 C CA . ILE C 1 198 ? 23.381 -6.302 -9.674 1.00 7.09 ? 198 ILE C CA 1 ATOM 10103 C C . ILE C 1 198 ? 24.391 -7.228 -9.028 1.00 9.21 ? 198 ILE C C 1 ATOM 10104 O O . ILE C 1 198 ? 25.387 -7.620 -9.624 1.00 11.32 ? 198 ILE C O 1 ATOM 10105 C CB . ILE C 1 198 ? 22.558 -7.046 -10.742 1.00 8.94 ? 198 ILE C CB 1 ATOM 10106 C CG1 . ILE C 1 198 ? 21.531 -6.086 -11.338 1.00 10.60 ? 198 ILE C CG1 1 ATOM 10107 C CG2 . ILE C 1 198 ? 21.898 -8.335 -10.142 1.00 10.15 ? 198 ILE C CG2 1 ATOM 10108 C CD1 . ILE C 1 198 ? 20.780 -6.688 -12.508 1.00 12.79 ? 198 ILE C CD1 1 ATOM 10109 H H . ILE C 1 198 ? 24.337 -5.254 -11.038 1.00 11.22 ? 198 ILE C H 1 ATOM 10110 H HA . ILE C 1 198 ? 22.764 -5.995 -8.978 1.00 8.49 ? 198 ILE C HA 1 ATOM 10111 H HB . ILE C 1 198 ? 23.162 -7.320 -11.451 1.00 10.72 ? 198 ILE C HB 1 ATOM 10112 H HG12 . ILE C 1 198 ? 20.885 -5.851 -10.655 1.00 12.71 ? 198 ILE C HG12 1 ATOM 10113 H HG13 . ILE C 1 198 ? 21.988 -5.290 -11.652 1.00 12.71 ? 198 ILE C HG13 1 ATOM 10114 H HG21 . ILE C 1 198 ? 21.393 -8.777 -10.829 1.00 12.16 ? 198 ILE C HG21 1 ATOM 10115 H HG22 . ILE C 1 198 ? 22.589 -8.918 -9.817 1.00 12.16 ? 198 ILE C HG22 1 ATOM 10116 H HG23 . ILE C 1 198 ? 21.317 -8.082 -9.421 1.00 12.16 ? 198 ILE C HG23 1 ATOM 10117 H HD11 . ILE C 1 198 ? 20.152 -6.043 -12.840 1.00 15.33 ? 198 ILE C HD11 1 ATOM 10118 H HD12 . ILE C 1 198 ? 21.408 -6.919 -13.196 1.00 15.33 ? 198 ILE C HD12 1 ATOM 10119 H HD13 . ILE C 1 198 ? 20.317 -7.474 -12.210 1.00 15.33 ? 198 ILE C HD13 1 ATOM 10120 N N . LYS C 1 199 ? 24.136 -7.586 -7.779 1.00 8.26 ? 199 LYS C N 1 ATOM 10121 C CA . LYS C 1 199 ? 24.977 -8.495 -7.026 1.00 7.77 ? 199 LYS C CA 1 ATOM 10122 C C . LYS C 1 199 ? 24.139 -9.495 -6.245 1.00 9.04 ? 199 LYS C C 1 ATOM 10123 O O . LYS C 1 199 ? 22.942 -9.289 -6.008 1.00 8.83 ? 199 LYS C O 1 ATOM 10124 C CB . LYS C 1 199 ? 25.828 -7.716 -5.985 1.00 9.31 ? 199 LYS C CB 1 ATOM 10125 C CG . LYS C 1 199 ? 26.999 -6.935 -6.585 1.00 10.58 ? 199 LYS C CG 1 ATOM 10126 C CD . LYS C 1 199 ? 28.133 -7.868 -6.982 1.00 14.83 ? 199 LYS C CD 1 ATOM 10127 C CE . LYS C 1 199 ? 29.257 -7.134 -7.680 1.00 17.26 ? 199 LYS C CE 1 ATOM 10128 N NZ . LYS C 1 199 ? 30.169 -8.191 -8.195 1.00 23.33 ? 199 LYS C NZ 1 ATOM 10129 H H . LYS C 1 199 ? 23.457 -7.305 -7.334 1.00 9.90 ? 199 LYS C H 1 ATOM 10130 H HA . LYS C 1 199 ? 25.575 -8.981 -7.632 1.00 9.31 ? 199 LYS C HA 1 ATOM 10131 H HB2 . LYS C 1 199 ? 25.254 -7.081 -5.528 1.00 11.16 ? 199 LYS C HB2 1 ATOM 10132 H HB3 . LYS C 1 199 ? 26.192 -8.348 -5.346 1.00 11.16 ? 199 LYS C HB3 1 ATOM 10133 H HG2 . LYS C 1 199 ? 26.699 -6.465 -7.379 1.00 12.68 ? 199 LYS C HG2 1 ATOM 10134 H HG3 . LYS C 1 199 ? 27.337 -6.307 -5.928 1.00 12.68 ? 199 LYS C HG3 1 ATOM 10135 H HD2 . LYS C 1 199 ? 28.494 -8.286 -6.184 1.00 17.79 ? 199 LYS C HD2 1 ATOM 10136 H HD3 . LYS C 1 199 ? 27.791 -8.544 -7.588 1.00 17.79 ? 199 LYS C HD3 1 ATOM 10137 H HE2 . LYS C 1 199 ? 28.912 -6.616 -8.424 1.00 20.70 ? 199 LYS C HE2 1 ATOM 10138 H HE3 . LYS C 1 199 ? 29.738 -6.574 -7.050 1.00 20.70 ? 199 LYS C HE3 1 ATOM 10139 H HZ1 . LYS C 1 199 ? 30.911 -7.789 -8.653 1.00 27.98 ? 199 LYS C HZ1 1 ATOM 10140 H HZ2 . LYS C 1 199 ? 30.502 -8.721 -7.467 1.00 27.98 ? 199 LYS C HZ2 1 ATOM 10141 H HZ3 . LYS C 1 199 ? 29.697 -8.762 -8.806 1.00 27.98 ? 199 LYS C HZ3 1 ATOM 10142 N N . PRO C 1 200 ? 24.762 -10.585 -5.787 1.00 8.19 ? 200 PRO C N 1 ATOM 10143 C CA . PRO C 1 200 ? 24.041 -11.489 -4.905 1.00 7.96 ? 200 PRO C CA 1 ATOM 10144 C C . PRO C 1 200 ? 23.609 -10.797 -3.624 1.00 10.55 ? 200 PRO C C 1 ATOM 10145 O O . PRO C 1 200 ? 24.304 -9.886 -3.123 1.00 10.32 ? 200 PRO C O 1 ATOM 10146 C CB . PRO C 1 200 ? 25.085 -12.560 -4.567 1.00 12.23 ? 200 PRO C CB 1 ATOM 10147 C CG . PRO C 1 200 ? 26.035 -12.518 -5.709 1.00 14.32 ? 200 PRO C CG 1 ATOM 10148 C CD . PRO C 1 200 ? 26.130 -11.066 -6.068 1.00 13.14 ? 200 PRO C CD 1 ATOM 10149 H HA . PRO C 1 200 ? 23.270 -11.893 -5.355 1.00 9.54 ? 200 PRO C HA 1 ATOM 10150 H HB2 . PRO C 1 200 ? 25.532 -12.334 -3.736 1.00 14.67 ? 200 PRO C HB2 1 ATOM 10151 H HB3 . PRO C 1 200 ? 24.658 -13.429 -4.504 1.00 14.67 ? 200 PRO C HB3 1 ATOM 10152 H HG2 . PRO C 1 200 ? 26.899 -12.862 -5.430 1.00 17.18 ? 200 PRO C HG2 1 ATOM 10153 H HG3 . PRO C 1 200 ? 25.681 -13.035 -6.450 1.00 17.18 ? 200 PRO C HG3 1 ATOM 10154 H HD2 . PRO C 1 200 ? 26.774 -10.615 -5.500 1.00 15.76 ? 200 PRO C HD2 1 ATOM 10155 H HD3 . PRO C 1 200 ? 26.343 -10.960 -7.009 1.00 15.76 ? 200 PRO C HD3 1 ATOM 10156 N N . LEU C 1 201 ? 22.467 -11.226 -3.107 1.00 11.02 ? 201 LEU C N 1 ATOM 10157 C CA . LEU C 1 201 ? 21.979 -10.802 -1.812 1.00 9.66 ? 201 LEU C CA 1 ATOM 10158 C C . LEU C 1 201 ? 22.754 -11.587 -0.770 1.00 11.08 ? 201 LEU C C 1 ATOM 10159 O O . LEU C 1 201 ? 22.633 -12.813 -0.680 1.00 16.49 ? 201 LEU C O 1 ATOM 10160 C CB . LEU C 1 201 ? 20.499 -11.150 -1.696 1.00 11.22 ? 201 LEU C CB 1 ATOM 10161 C CG . LEU C 1 201 ? 19.897 -11.011 -0.296 1.00 13.44 ? 201 LEU C CG 1 ATOM 10162 C CD1 . LEU C 1 201 ? 19.906 -9.555 0.172 1.00 11.74 ? 201 LEU C CD1 1 ATOM 10163 C CD2 . LEU C 1 201 ? 18.446 -11.534 -0.259 1.00 17.00 ? 201 LEU C CD2 1 ATOM 10164 H H . LEU C 1 201 ? 21.944 -11.782 -3.503 1.00 13.21 ? 201 LEU C H 1 ATOM 10165 H HA . LEU C 1 201 ? 22.112 -9.840 -1.680 1.00 11.58 ? 201 LEU C HA 1 ATOM 10166 H HB2 . LEU C 1 201 ? 19.999 -10.565 -2.287 1.00 13.45 ? 201 LEU C HB2 1 ATOM 10167 H HB3 . LEU C 1 201 ? 20.378 -12.072 -1.975 1.00 13.45 ? 201 LEU C HB3 1 ATOM 10168 H HG . LEU C 1 201 ? 20.423 -11.533 0.330 1.00 16.12 ? 201 LEU C HG 1 ATOM 10169 H HD11 . LEU C 1 201 ? 19.522 -9.508 1.051 1.00 14.08 ? 201 LEU C HD11 1 ATOM 10170 H HD12 . LEU C 1 201 ? 20.812 -9.239 0.193 1.00 14.08 ? 201 LEU C HD12 1 ATOM 10171 H HD13 . LEU C 1 201 ? 19.389 -9.027 -0.440 1.00 14.08 ? 201 LEU C HD13 1 ATOM 10172 H HD21 . LEU C 1 201 ? 18.100 -11.432 0.630 1.00 20.39 ? 201 LEU C HD21 1 ATOM 10173 H HD22 . LEU C 1 201 ? 17.916 -11.026 -0.877 1.00 20.39 ? 201 LEU C HD22 1 ATOM 10174 H HD23 . LEU C 1 201 ? 18.442 -12.461 -0.508 1.00 20.39 ? 201 LEU C HD23 1 ATOM 10175 N N . VAL C 1 202 ? 23.542 -10.906 0.043 1.00 8.53 ? 202 VAL C N 1 ATOM 10176 C CA . VAL C 1 202 ? 24.358 -11.616 1.036 1.00 9.98 ? 202 VAL C CA 1 ATOM 10177 C C . VAL C 1 202 ? 23.979 -11.346 2.473 1.00 10.22 ? 202 VAL C C 1 ATOM 10178 O O . VAL C 1 202 ? 24.565 -11.959 3.386 1.00 11.51 ? 202 VAL C O 1 ATOM 10179 C CB . VAL C 1 202 ? 25.866 -11.300 0.883 1.00 9.50 ? 202 VAL C CB 1 ATOM 10180 C CG1 . VAL C 1 202 ? 26.343 -11.637 -0.532 1.00 12.57 ? 202 VAL C CG1 1 ATOM 10181 C CG2 . VAL C 1 202 ? 26.188 -9.850 1.240 1.00 10.51 ? 202 VAL C CG2 1 ATOM 10182 H H . VAL C 1 202 ? 23.628 -10.051 0.048 1.00 10.22 ? 202 VAL C H 1 ATOM 10183 H HA . VAL C 1 202 ? 24.248 -12.578 0.886 1.00 11.96 ? 202 VAL C HA 1 ATOM 10184 H HB . VAL C 1 202 ? 26.365 -11.871 1.503 1.00 11.39 ? 202 VAL C HB 1 ATOM 10185 H HG11 . VAL C 1 202 ? 27.279 -11.433 -0.602 1.00 15.07 ? 202 VAL C HG11 1 ATOM 10186 H HG12 . VAL C 1 202 ? 26.198 -12.572 -0.696 1.00 15.07 ? 202 VAL C HG12 1 ATOM 10187 H HG13 . VAL C 1 202 ? 25.845 -11.112 -1.162 1.00 15.07 ? 202 VAL C HG13 1 ATOM 10188 H HG21 . VAL C 1 202 ? 27.131 -9.704 1.130 1.00 12.60 ? 202 VAL C HG21 1 ATOM 10189 H HG22 . VAL C 1 202 ? 25.696 -9.268 0.657 1.00 12.60 ? 202 VAL C HG22 1 ATOM 10190 H HG23 . VAL C 1 202 ? 25.936 -9.690 2.152 1.00 12.60 ? 202 VAL C HG23 1 ATOM 10191 N N . TRP C 1 203 ? 23.008 -10.453 2.682 1.00 9.32 ? 203 TRP C N 1 ATOM 10192 C CA . TRP C 1 203 ? 22.630 -10.003 4.021 1.00 10.72 ? 203 TRP C CA 1 ATOM 10193 C C . TRP C 1 203 ? 21.308 -10.519 4.537 1.00 15.75 ? 203 TRP C C 1 ATOM 10194 O O . TRP C 1 203 ? 20.906 -10.179 5.649 1.00 22.69 ? 203 TRP C O 1 ATOM 10195 C CB . TRP C 1 203 ? 22.678 -8.490 4.095 1.00 12.74 ? 203 TRP C CB 1 ATOM 10196 C CG . TRP C 1 203 ? 22.150 -7.753 2.902 1.00 8.71 ? 203 TRP C CG 1 ATOM 10197 C CD1 . TRP C 1 203 ? 22.855 -7.331 1.814 1.00 9.77 ? 203 TRP C CD1 1 ATOM 10198 C CD2 . TRP C 1 203 ? 20.798 -7.273 2.692 1.00 7.04 ? 203 TRP C CD2 1 ATOM 10199 N NE1 . TRP C 1 203 ? 22.052 -6.641 0.960 1.00 9.93 ? 203 TRP C NE1 1 ATOM 10200 C CE2 . TRP C 1 203 ? 20.781 -6.586 1.468 1.00 7.23 ? 203 TRP C CE2 1 ATOM 10201 C CE3 . TRP C 1 203 ? 19.616 -7.355 3.428 1.00 10.75 ? 203 TRP C CE3 1 ATOM 10202 C CZ2 . TRP C 1 203 ? 19.648 -5.983 0.963 1.00 9.29 ? 203 TRP C CZ2 1 ATOM 10203 C CZ3 . TRP C 1 203 ? 18.482 -6.751 2.898 1.00 9.85 ? 203 TRP C CZ3 1 ATOM 10204 C CH2 . TRP C 1 203 ? 18.510 -6.075 1.698 1.00 8.52 ? 203 TRP C CH2 1 ATOM 10205 H H . TRP C 1 203 ? 22.548 -10.089 2.053 1.00 11.17 ? 203 TRP C H 1 ATOM 10206 H HA . TRP C 1 203 ? 23.313 -10.333 4.641 1.00 12.85 ? 203 TRP C HA 1 ATOM 10207 H HB2 . TRP C 1 203 ? 22.157 -8.206 4.863 1.00 15.28 ? 203 TRP C HB2 1 ATOM 10208 H HB3 . TRP C 1 203 ? 23.602 -8.220 4.215 1.00 15.28 ? 203 TRP C HB3 1 ATOM 10209 H HD1 . TRP C 1 203 ? 23.760 -7.493 1.675 1.00 11.71 ? 203 TRP C HD1 1 ATOM 10210 H HE1 . TRP C 1 203 ? 22.302 -6.299 0.211 1.00 11.90 ? 203 TRP C HE1 1 ATOM 10211 H HE3 . TRP C 1 203 ? 19.592 -7.785 4.252 1.00 12.88 ? 203 TRP C HE3 1 ATOM 10212 H HZ2 . TRP C 1 203 ? 19.658 -5.550 0.140 1.00 11.14 ? 203 TRP C HZ2 1 ATOM 10213 H HZ3 . TRP C 1 203 ? 17.685 -6.792 3.375 1.00 11.81 ? 203 TRP C HZ3 1 ATOM 10214 H HH2 . TRP C 1 203 ? 17.724 -5.703 1.368 1.00 10.21 ? 203 TRP C HH2 1 ATOM 10215 N N . VAL C 1 204 ? 20.624 -11.355 3.784 1.00 17.33 ? 204 VAL C N 1 ATOM 10216 C CA . VAL C 1 204 ? 19.581 -12.133 4.460 1.00 32.96 ? 204 VAL C CA 1 ATOM 10217 C C . VAL C 1 204 ? 20.135 -13.458 5.003 1.00 51.55 ? 204 VAL C C 1 ATOM 10218 O O . VAL C 1 204 ? 19.842 -13.819 6.149 1.00 55.15 ? 204 VAL C O 1 ATOM 10219 C CB . VAL C 1 204 ? 18.350 -12.321 3.563 1.00 34.20 ? 204 VAL C CB 1 ATOM 10220 C CG1 . VAL C 1 204 ? 17.364 -13.318 4.169 1.00 41.50 ? 204 VAL C CG1 1 ATOM 10221 C CG2 . VAL C 1 204 ? 17.682 -10.977 3.394 1.00 21.98 ? 204 VAL C CG2 1 ATOM 10222 O OXT . VAL C 1 204 ? 20.904 -14.175 4.350 1.00 55.71 ? 204 VAL C OXT 1 ATOM 10223 H H . VAL C 1 204 ? 20.725 -11.493 2.942 1.00 20.78 ? 204 VAL C H 1 ATOM 10224 H HA . VAL C 1 204 ? 19.284 -11.616 5.237 1.00 39.54 ? 204 VAL C HA 1 ATOM 10225 H HB . VAL C 1 204 ? 18.629 -12.648 2.682 1.00 41.02 ? 204 VAL C HB 1 ATOM 10226 H HG11 . VAL C 1 204 ? 16.611 -13.408 3.581 1.00 49.79 ? 204 VAL C HG11 1 ATOM 10227 H HG12 . VAL C 1 204 ? 17.802 -14.166 4.273 1.00 49.79 ? 204 VAL C HG12 1 ATOM 10228 H HG13 . VAL C 1 204 ? 17.076 -12.992 5.024 1.00 49.79 ? 204 VAL C HG13 1 ATOM 10229 H HG21 . VAL C 1 204 ? 16.909 -11.082 2.834 1.00 26.36 ? 204 VAL C HG21 1 ATOM 10230 H HG22 . VAL C 1 204 ? 17.420 -10.648 4.257 1.00 26.36 ? 204 VAL C HG22 1 ATOM 10231 H HG23 . VAL C 1 204 ? 18.303 -10.369 2.986 1.00 26.36 ? 204 VAL C HG23 1 ATOM 10232 N N . HIS D 1 1 ? 60.291 -17.187 4.812 1.00 30.64 ? 1 HIS D N 1 ATOM 10233 C CA . HIS D 1 1 ? 59.046 -16.647 5.436 1.00 30.38 ? 1 HIS D CA 1 ATOM 10234 C C . HIS D 1 1 ? 58.705 -17.360 6.736 1.00 32.67 ? 1 HIS D C 1 ATOM 10235 O O . HIS D 1 1 ? 59.322 -18.362 7.100 1.00 27.72 ? 1 HIS D O 1 ATOM 10236 C CB . HIS D 1 1 ? 57.897 -16.855 4.491 1.00 22.28 ? 1 HIS D CB 1 ATOM 10237 C CG . HIS D 1 1 ? 57.838 -18.242 3.933 1.00 46.70 ? 1 HIS D CG 1 ATOM 10238 N ND1 . HIS D 1 1 ? 57.357 -19.317 4.653 1.00 49.01 ? 1 HIS D ND1 1 ATOM 10239 C CD2 . HIS D 1 1 ? 58.224 -18.737 2.733 1.00 58.15 ? 1 HIS D CD2 1 ATOM 10240 C CE1 . HIS D 1 1 ? 57.431 -20.410 3.913 1.00 51.60 ? 1 HIS D CE1 1 ATOM 10241 N NE2 . HIS D 1 1 ? 57.952 -20.085 2.743 1.00 60.64 ? 1 HIS D NE2 1 ATOM 10242 H H1 . HIS D 1 1 ? 60.279 -17.011 3.868 1.00 36.75 ? 1 HIS D H1 1 ATOM 10243 H H2 . HIS D 1 1 ? 61.057 -16.762 5.206 1.00 36.75 ? 1 HIS D H2 1 ATOM 10244 H H3 . HIS D 1 1 ? 60.339 -18.134 4.960 1.00 36.75 ? 1 HIS D H3 1 ATOM 10245 H HA . HIS D 1 1 ? 59.146 -15.689 5.613 1.00 36.44 ? 1 HIS D HA 1 ATOM 10246 H HB2 . HIS D 1 1 ? 57.067 -16.687 4.962 1.00 26.72 ? 1 HIS D HB2 1 ATOM 10247 H HB3 . HIS D 1 1 ? 57.986 -16.238 3.747 1.00 26.72 ? 1 HIS D HB3 1 ATOM 10248 H HD2 . HIS D 1 1 ? 58.590 -18.253 2.028 1.00 69.77 ? 1 HIS D HD2 1 ATOM 10249 H HE1 . HIS D 1 1 ? 57.165 -21.262 4.172 1.00 61.91 ? 1 HIS D HE1 1 ATOM 10250 H HE2 . HIS D 1 1 ? 58.102 -20.629 2.094 1.00 72.76 ? 1 HIS D HE2 1 ATOM 10251 N N . THR D 1 2 ? 57.664 -16.872 7.397 1.00 18.99 ? 2 THR D N 1 ATOM 10252 C CA . THR D 1 2 ? 57.425 -17.209 8.782 1.00 18.29 ? 2 THR D CA 1 ATOM 10253 C C . THR D 1 2 ? 55.969 -17.531 8.997 1.00 15.70 ? 2 THR D C 1 ATOM 10254 O O . THR D 1 2 ? 55.085 -16.871 8.446 1.00 15.52 ? 2 THR D O 1 ATOM 10255 C CB . THR D 1 2 ? 57.775 -16.013 9.661 1.00 20.51 ? 2 THR D CB 1 ATOM 10256 O OG1 . THR D 1 2 ? 59.144 -15.653 9.447 1.00 28.03 ? 2 THR D OG1 1 ATOM 10257 C CG2 . THR D 1 2 ? 57.554 -16.290 11.120 1.00 22.25 ? 2 THR D CG2 1 ATOM 10258 H H . THR D 1 2 ? 57.078 -16.341 7.058 1.00 22.78 ? 2 THR D H 1 ATOM 10259 H HA . THR D 1 2 ? 57.972 -17.978 9.046 1.00 21.94 ? 2 THR D HA 1 ATOM 10260 H HB . THR D 1 2 ? 57.210 -15.264 9.411 1.00 24.60 ? 2 THR D HB 1 ATOM 10261 H HG1 . THR D 1 2 ? 59.342 -15.010 9.915 1.00 33.62 ? 2 THR D HG1 1 ATOM 10262 H HG21 . THR D 1 2 ? 57.785 -15.515 11.639 1.00 26.69 ? 2 THR D HG21 1 ATOM 10263 H HG22 . THR D 1 2 ? 56.633 -16.508 11.277 1.00 26.69 ? 2 THR D HG22 1 ATOM 10264 H HG23 . THR D 1 2 ? 58.102 -17.027 11.400 1.00 26.69 ? 2 THR D HG23 1 ATOM 10265 N N . ASP D 1 3 ? 55.719 -18.544 9.801 1.00 13.15 ? 3 ASP D N 1 ATOM 10266 C CA . ASP D 1 3 ? 54.359 -18.970 10.106 1.00 11.75 ? 3 ASP D CA 1 ATOM 10267 C C . ASP D 1 3 ? 53.963 -18.326 11.425 1.00 12.43 ? 3 ASP D C 1 ATOM 10268 O O . ASP D 1 3 ? 54.456 -18.698 12.495 1.00 13.33 ? 3 ASP D O 1 ATOM 10269 C CB . ASP D 1 3 ? 54.300 -20.505 10.218 1.00 13.10 ? 3 ASP D CB 1 ATOM 10270 C CG . ASP D 1 3 ? 52.911 -21.011 10.457 1.00 16.60 ? 3 ASP D CG 1 ATOM 10271 O OD1 . ASP D 1 3 ? 52.018 -20.189 10.767 1.00 12.96 ? 3 ASP D OD1 1 ATOM 10272 O OD2 . ASP D 1 3 ? 52.648 -22.236 10.341 1.00 18.07 ? 3 ASP D OD2 1 ATOM 10273 H H . ASP D 1 3 ? 56.326 -19.011 10.192 1.00 15.77 ? 3 ASP D H 1 ATOM 10274 H HA . ASP D 1 3 ? 53.744 -18.673 9.403 1.00 14.09 ? 3 ASP D HA 1 ATOM 10275 H HB2 . ASP D 1 3 ? 54.624 -20.895 9.391 1.00 15.70 ? 3 ASP D HB2 1 ATOM 10276 H HB3 . ASP D 1 3 ? 54.856 -20.790 10.960 1.00 15.70 ? 3 ASP D HB3 1 ATOM 10277 N N . LEU D 1 4 ? 53.111 -17.294 11.347 1.00 10.30 ? 4 LEU D N 1 ATOM 10278 C CA . LEU D 1 4 ? 52.686 -16.565 12.535 1.00 10.09 ? 4 LEU D CA 1 ATOM 10279 C C . LEU D 1 4 ? 51.356 -17.090 13.071 1.00 11.61 ? 4 LEU D C 1 ATOM 10280 O O . LEU D 1 4 ? 50.689 -16.415 13.868 1.00 9.99 ? 4 LEU D O 1 ATOM 10281 C CB . LEU D 1 4 ? 52.587 -15.063 12.207 1.00 11.27 ? 4 LEU D CB 1 ATOM 10282 C CG . LEU D 1 4 ? 53.891 -14.362 11.910 1.00 12.32 ? 4 LEU D CG 1 ATOM 10283 C CD1 . LEU D 1 4 ? 53.577 -12.887 11.607 1.00 12.85 ? 4 LEU D CD1 1 ATOM 10284 C CD2 . LEU D 1 4 ? 54.855 -14.453 13.052 1.00 13.93 ? 4 LEU D CD2 1 ATOM 10285 H H . LEU D 1 4 ? 52.768 -17.002 10.615 1.00 12.35 ? 4 LEU D H 1 ATOM 10286 H HA . LEU D 1 4 ? 53.361 -16.678 13.237 1.00 12.10 ? 4 LEU D HA 1 ATOM 10287 H HB2 . LEU D 1 4 ? 52.019 -14.958 11.427 1.00 13.51 ? 4 LEU D HB2 1 ATOM 10288 H HB3 . LEU D 1 4 ? 52.182 -14.611 12.963 1.00 13.51 ? 4 LEU D HB3 1 ATOM 10289 H HG . LEU D 1 4 ? 54.302 -14.758 11.126 1.00 14.78 ? 4 LEU D HG 1 ATOM 10290 H HD11 . LEU D 1 4 ? 54.398 -12.426 11.416 1.00 15.41 ? 4 LEU D HD11 1 ATOM 10291 H HD12 . LEU D 1 4 ? 52.992 -12.842 10.847 1.00 15.41 ? 4 LEU D HD12 1 ATOM 10292 H HD13 . LEU D 1 4 ? 53.151 -12.494 12.372 1.00 15.41 ? 4 LEU D HD13 1 ATOM 10293 H HD21 . LEU D 1 4 ? 55.664 -13.994 12.814 1.00 16.70 ? 4 LEU D HD21 1 ATOM 10294 H HD22 . LEU D 1 4 ? 54.461 -14.043 13.826 1.00 16.70 ? 4 LEU D HD22 1 ATOM 10295 H HD23 . LEU D 1 4 ? 55.042 -15.377 13.230 1.00 16.70 ? 4 LEU D HD23 1 ATOM 10296 N N . SER D 1 5 ? 50.965 -18.311 12.705 1.00 12.10 ? 5 SER D N 1 ATOM 10297 C CA . SER D 1 5 ? 49.764 -18.909 13.262 1.00 10.75 ? 5 SER D CA 1 ATOM 10298 C C . SER D 1 5 ? 49.759 -18.801 14.782 1.00 8.54 ? 5 SER D C 1 ATOM 10299 O O . SER D 1 5 ? 50.714 -19.159 15.446 1.00 11.92 ? 5 SER D O 1 ATOM 10300 C CB . SER D 1 5 ? 49.669 -20.401 12.906 1.00 14.81 ? 5 SER D CB 1 ATOM 10301 O OG . SER D 1 5 ? 49.505 -20.597 11.517 1.00 16.89 ? 5 SER D OG 1 ATOM 10302 H H . SER D 1 5 ? 51.378 -18.808 12.137 1.00 14.51 ? 5 SER D H 1 ATOM 10303 H HA . SER D 1 5 ? 48.973 -18.450 12.911 1.00 12.89 ? 5 SER D HA 1 ATOM 10304 H HB2 . SER D 1 5 ? 50.484 -20.844 13.191 1.00 17.76 ? 5 SER D HB2 1 ATOM 10305 H HB3 . SER D 1 5 ? 48.907 -20.785 13.368 1.00 17.76 ? 5 SER D HB3 1 ATOM 10306 H HG . SER D 1 5 ? 49.489 -19.873 11.131 1.00 20.25 ? 5 SER D HG 1 ATOM 10307 N N . GLY D 1 6 ? 48.649 -18.303 15.321 1.00 9.75 ? 6 GLY D N 1 ATOM 10308 C CA . GLY D 1 6 ? 48.506 -18.185 16.751 1.00 10.90 ? 6 GLY D CA 1 ATOM 10309 C C . GLY D 1 6 ? 49.171 -16.987 17.400 1.00 10.05 ? 6 GLY D C 1 ATOM 10310 O O . GLY D 1 6 ? 49.196 -16.905 18.626 1.00 11.36 ? 6 GLY D O 1 ATOM 10311 H H . GLY D 1 6 ? 47.968 -18.028 14.873 1.00 11.68 ? 6 GLY D H 1 ATOM 10312 H HA2 . GLY D 1 6 ? 47.561 -18.148 16.965 1.00 13.06 ? 6 GLY D HA2 1 ATOM 10313 H HA3 . GLY D 1 6 ? 48.871 -18.983 17.165 1.00 13.06 ? 6 GLY D HA3 1 ATOM 10314 N N . LYS D 1 7 ? 49.723 -16.103 16.572 1.00 9.17 ? 7 LYS D N 1 ATOM 10315 C CA A LYS D 1 7 ? 50.513 -14.963 17.023 0.37 9.23 ? 7 LYS D CA 1 ATOM 10316 C CA B LYS D 1 7 ? 50.497 -14.960 17.052 0.63 9.41 ? 7 LYS D CA 1 ATOM 10317 C C . LYS D 1 7 ? 49.961 -13.680 16.422 1.00 6.59 ? 7 LYS D C 1 ATOM 10318 O O . LYS D 1 7 ? 49.306 -13.696 15.380 1.00 10.47 ? 7 LYS D O 1 ATOM 10319 C CB A LYS D 1 7 ? 51.981 -15.126 16.603 0.37 9.44 ? 7 LYS D CB 1 ATOM 10320 C CB B LYS D 1 7 ? 52.003 -15.117 16.746 0.63 9.76 ? 7 LYS D CB 1 ATOM 10321 C CG A LYS D 1 7 ? 52.557 -16.459 17.034 0.37 11.32 ? 7 LYS D CG 1 ATOM 10322 C CG B LYS D 1 7 ? 52.640 -16.318 17.465 0.63 12.11 ? 7 LYS D CG 1 ATOM 10323 C CD A LYS D 1 7 ? 54.016 -16.613 16.724 0.37 18.06 ? 7 LYS D CD 1 ATOM 10324 C CD B LYS D 1 7 ? 54.020 -16.594 16.950 0.63 17.31 ? 7 LYS D CD 1 ATOM 10325 C CE A LYS D 1 7 ? 54.532 -17.918 17.325 0.37 22.51 ? 7 LYS D CE 1 ATOM 10326 C CE B LYS D 1 7 ? 54.591 -17.853 17.593 0.63 22.99 ? 7 LYS D CE 1 ATOM 10327 N NZ A LYS D 1 7 ? 54.357 -17.933 18.810 0.37 27.72 ? 7 LYS D NZ 1 ATOM 10328 N NZ B LYS D 1 7 ? 55.988 -18.129 17.164 0.63 25.54 ? 7 LYS D NZ 1 ATOM 10329 H H A LYS D 1 7 ? 49.649 -16.146 15.717 0.37 10.99 ? 7 LYS D H 1 ATOM 10330 H H B LYS D 1 7 ? 49.662 -16.144 15.715 0.63 10.99 ? 7 LYS D H 1 ATOM 10331 H HA A LYS D 1 7 ? 50.470 -14.896 17.999 0.37 11.06 ? 7 LYS D HA 1 ATOM 10332 H HA B LYS D 1 7 ? 50.391 -14.888 18.024 0.63 11.28 ? 7 LYS D HA 1 ATOM 10333 H HB2 A LYS D 1 7 ? 52.044 -15.068 15.637 0.37 11.32 ? 7 LYS D HB2 1 ATOM 10334 H HB2 B LYS D 1 7 ? 52.119 -15.244 15.792 0.63 11.70 ? 7 LYS D HB2 1 ATOM 10335 H HB3 A LYS D 1 7 ? 52.509 -14.423 17.014 0.37 11.32 ? 7 LYS D HB3 1 ATOM 10336 H HB3 B LYS D 1 7 ? 52.468 -14.316 17.033 0.63 11.70 ? 7 LYS D HB3 1 ATOM 10337 H HG2 A LYS D 1 7 ? 52.445 -16.552 17.993 0.37 13.58 ? 7 LYS D HG2 1 ATOM 10338 H HG2 B LYS D 1 7 ? 52.702 -16.127 18.414 0.63 14.52 ? 7 LYS D HG2 1 ATOM 10339 H HG3 A LYS D 1 7 ? 52.080 -17.168 16.576 0.37 13.58 ? 7 LYS D HG3 1 ATOM 10340 H HG3 B LYS D 1 7 ? 52.096 -17.107 17.315 0.63 14.52 ? 7 LYS D HG3 1 ATOM 10341 H HD2 A LYS D 1 7 ? 54.145 -16.642 15.763 0.37 21.66 ? 7 LYS D HD2 1 ATOM 10342 H HD2 B LYS D 1 7 ? 53.985 -16.728 15.990 0.63 20.77 ? 7 LYS D HD2 1 ATOM 10343 H HD3 A LYS D 1 7 ? 54.512 -15.876 17.113 0.37 21.66 ? 7 LYS D HD3 1 ATOM 10344 H HD3 B LYS D 1 7 ? 54.600 -15.848 17.167 0.63 20.77 ? 7 LYS D HD3 1 ATOM 10345 H HE2 A LYS D 1 7 ? 54.035 -18.663 16.952 0.37 27.00 ? 7 LYS D HE2 1 ATOM 10346 H HE2 B LYS D 1 7 ? 54.588 -17.745 18.557 0.63 27.58 ? 7 LYS D HE2 1 ATOM 10347 H HE3 A LYS D 1 7 ? 55.477 -18.012 17.128 0.37 27.00 ? 7 LYS D HE3 1 ATOM 10348 H HE3 B LYS D 1 7 ? 54.044 -18.613 17.342 0.63 27.58 ? 7 LYS D HE3 1 ATOM 10349 H HZ1 A LYS D 1 7 ? 54.843 -17.205 19.205 0.37 33.25 ? 7 LYS D HZ1 1 ATOM 10350 H HZ1 B LYS D 1 7 ? 56.557 -17.395 17.407 0.63 30.64 ? 7 LYS D HZ1 1 ATOM 10351 H HZ2 A LYS D 1 7 ? 53.428 -17.844 19.032 0.37 33.25 ? 7 LYS D HZ2 1 ATOM 10352 H HZ2 B LYS D 1 7 ? 56.310 -18.927 17.590 0.63 30.64 ? 7 LYS D HZ2 1 ATOM 10353 H HZ3 A LYS D 1 7 ? 54.686 -18.760 19.171 0.37 33.25 ? 7 LYS D HZ3 1 ATOM 10354 H HZ3 B LYS D 1 7 ? 56.021 -18.248 16.212 0.63 30.64 ? 7 LYS D HZ3 1 ATOM 10355 N N . VAL D 1 8 ? 50.259 -12.564 17.079 1.00 7.73 ? 8 VAL D N 1 ATOM 10356 C CA . VAL D 1 8 ? 49.892 -11.231 16.632 1.00 8.64 ? 8 VAL D CA 1 ATOM 10357 C C . VAL D 1 8 ? 51.118 -10.343 16.634 1.00 7.54 ? 8 VAL D C 1 ATOM 10358 O O . VAL D 1 8 ? 52.103 -10.573 17.357 1.00 9.27 ? 8 VAL D O 1 ATOM 10359 C CB . VAL D 1 8 ? 48.832 -10.581 17.574 1.00 9.71 ? 8 VAL D CB 1 ATOM 10360 C CG1 . VAL D 1 8 ? 47.532 -11.305 17.480 1.00 10.46 ? 8 VAL D CG1 1 ATOM 10361 C CG2 . VAL D 1 8 ? 49.329 -10.531 19.018 1.00 9.79 ? 8 VAL D CG2 1 ATOM 10362 H H . VAL D 1 8 ? 50.694 -12.558 17.821 1.00 9.26 ? 8 VAL D H 1 ATOM 10363 H HA . VAL D 1 8 ? 49.529 -11.271 15.723 1.00 10.36 ? 8 VAL D HA 1 ATOM 10364 H HB . VAL D 1 8 ? 48.678 -9.658 17.282 1.00 11.64 ? 8 VAL D HB 1 ATOM 10365 H HG11 . VAL D 1 8 ? 46.899 -10.886 18.068 1.00 12.54 ? 8 VAL D HG11 1 ATOM 10366 H HG12 . VAL D 1 8 ? 47.216 -11.263 16.575 1.00 12.54 ? 8 VAL D HG12 1 ATOM 10367 H HG13 . VAL D 1 8 ? 47.665 -12.219 17.740 1.00 12.54 ? 8 VAL D HG13 1 ATOM 10368 H HG21 . VAL D 1 8 ? 48.653 -10.126 19.567 1.00 11.73 ? 8 VAL D HG21 1 ATOM 10369 H HG22 . VAL D 1 8 ? 49.503 -11.425 19.320 1.00 11.73 ? 8 VAL D HG22 1 ATOM 10370 H HG23 . VAL D 1 8 ? 50.134 -10.010 19.053 1.00 11.73 ? 8 VAL D HG23 1 ATOM 10371 N N . PHE D 1 9 ? 51.079 -9.294 15.814 1.00 7.77 ? 9 PHE D N 1 ATOM 10372 C CA . PHE D 1 9 ? 51.945 -8.131 16.006 1.00 7.04 ? 9 PHE D CA 1 ATOM 10373 C C . PHE D 1 9 ? 51.312 -7.214 17.040 1.00 6.71 ? 9 PHE D C 1 ATOM 10374 O O . PHE D 1 9 ? 50.112 -6.864 16.906 1.00 7.74 ? 9 PHE D O 1 ATOM 10375 C CB . PHE D 1 9 ? 52.124 -7.332 14.710 1.00 9.59 ? 9 PHE D CB 1 ATOM 10376 C CG . PHE D 1 9 ? 52.900 -8.017 13.629 1.00 7.89 ? 9 PHE D CG 1 ATOM 10377 C CD1 . PHE D 1 9 ? 54.182 -8.459 13.857 1.00 10.38 ? 9 PHE D CD1 1 ATOM 10378 C CD2 . PHE D 1 9 ? 52.358 -8.148 12.376 1.00 9.56 ? 9 PHE D CD2 1 ATOM 10379 C CE1 . PHE D 1 9 ? 54.897 -9.077 12.814 1.00 10.64 ? 9 PHE D CE1 1 ATOM 10380 C CE2 . PHE D 1 9 ? 53.082 -8.725 11.331 1.00 10.62 ? 9 PHE D CE2 1 ATOM 10381 C CZ . PHE D 1 9 ? 54.326 -9.215 11.578 1.00 9.78 ? 9 PHE D CZ 1 ATOM 10382 H H . PHE D 1 9 ? 50.557 -9.231 15.133 1.00 9.31 ? 9 PHE D H 1 ATOM 10383 H HA . PHE D 1 9 ? 52.825 -8.417 16.329 1.00 8.44 ? 9 PHE D HA 1 ATOM 10384 H HB2 . PHE D 1 9 ? 51.246 -7.129 14.352 1.00 11.50 ? 9 PHE D HB2 1 ATOM 10385 H HB3 . PHE D 1 9 ? 52.587 -6.506 14.921 1.00 11.50 ? 9 PHE D HB3 1 ATOM 10386 H HD1 . PHE D 1 9 ? 54.561 -8.379 14.702 1.00 12.44 ? 9 PHE D HD1 1 ATOM 10387 H HD2 . PHE D 1 9 ? 51.502 -7.821 12.212 1.00 11.46 ? 9 PHE D HD2 1 ATOM 10388 H HE1 . PHE D 1 9 ? 55.756 -9.398 12.967 1.00 12.76 ? 9 PHE D HE1 1 ATOM 10389 H HE2 . PHE D 1 9 ? 52.693 -8.833 10.493 1.00 12.73 ? 9 PHE D HE2 1 ATOM 10390 H HZ . PHE D 1 9 ? 54.809 -9.611 10.890 1.00 11.72 ? 9 PHE D HZ 1 ATOM 10391 N N . VAL D 1 10 ? 52.098 -6.808 18.041 1.00 7.20 ? 10 VAL D N 1 ATOM 10392 C CA . VAL D 1 10 ? 51.683 -5.847 19.054 1.00 6.65 ? 10 VAL D CA 1 ATOM 10393 C C . VAL D 1 10 ? 52.458 -4.547 18.785 1.00 6.52 ? 10 VAL D C 1 ATOM 10394 O O . VAL D 1 10 ? 53.694 -4.514 18.833 1.00 7.76 ? 10 VAL D O 1 ATOM 10395 C CB . VAL D 1 10 ? 51.987 -6.310 20.467 1.00 8.96 ? 10 VAL D CB 1 ATOM 10396 C CG1 . VAL D 1 10 ? 51.395 -5.331 21.446 1.00 7.98 ? 10 VAL D CG1 1 ATOM 10397 C CG2 . VAL D 1 10 ? 51.439 -7.682 20.723 1.00 9.62 ? 10 VAL D CG2 1 ATOM 10398 H H . VAL D 1 10 ? 52.903 -7.089 18.153 1.00 8.63 ? 10 VAL D H 1 ATOM 10399 H HA . VAL D 1 10 ? 50.722 -5.669 18.975 1.00 7.97 ? 10 VAL D HA 1 ATOM 10400 H HB . VAL D 1 10 ? 52.957 -6.333 20.600 1.00 10.73 ? 10 VAL D HB 1 ATOM 10401 H HG11 . VAL D 1 10 ? 51.589 -5.627 22.338 1.00 9.57 ? 10 VAL D HG11 1 ATOM 10402 H HG12 . VAL D 1 10 ? 51.783 -4.466 21.296 1.00 9.57 ? 10 VAL D HG12 1 ATOM 10403 H HG13 . VAL D 1 10 ? 50.445 -5.292 21.313 1.00 9.57 ? 10 VAL D HG13 1 ATOM 10404 H HG21 . VAL D 1 10 ? 51.650 -7.939 21.623 1.00 11.53 ? 10 VAL D HG21 1 ATOM 10405 H HG22 . VAL D 1 10 ? 50.487 -7.665 20.601 1.00 11.53 ? 10 VAL D HG22 1 ATOM 10406 H HG23 . VAL D 1 10 ? 51.838 -8.297 20.103 1.00 11.53 ? 10 VAL D HG23 1 ATOM 10407 N N . PHE D 1 11 ? 51.699 -3.493 18.506 1.00 6.47 ? 11 PHE D N 1 ATOM 10408 C CA . PHE D 1 11 ? 52.210 -2.135 18.363 1.00 6.49 ? 11 PHE D CA 1 ATOM 10409 C C . PHE D 1 11 ? 51.911 -1.467 19.705 1.00 8.05 ? 11 PHE D C 1 ATOM 10410 O O . PHE D 1 11 ? 50.793 -1.022 19.928 1.00 7.48 ? 11 PHE D O 1 ATOM 10411 C CB . PHE D 1 11 ? 51.521 -1.416 17.194 1.00 7.97 ? 11 PHE D CB 1 ATOM 10412 C CG . PHE D 1 11 ? 51.686 -2.112 15.875 1.00 7.15 ? 11 PHE D CG 1 ATOM 10413 C CD1 . PHE D 1 11 ? 50.840 -3.157 15.517 1.00 8.55 ? 11 PHE D CD1 1 ATOM 10414 C CD2 . PHE D 1 11 ? 52.679 -1.734 14.999 1.00 8.92 ? 11 PHE D CD2 1 ATOM 10415 C CE1 . PHE D 1 11 ? 51.038 -3.870 14.318 1.00 10.09 ? 11 PHE D CE1 1 ATOM 10416 C CE2 . PHE D 1 11 ? 52.843 -2.405 13.789 1.00 10.12 ? 11 PHE D CE2 1 ATOM 10417 C CZ . PHE D 1 11 ? 52.014 -3.472 13.454 1.00 9.40 ? 11 PHE D CZ 1 ATOM 10418 H H . PHE D 1 11 ? 50.848 -3.543 18.391 1.00 7.75 ? 11 PHE D H 1 ATOM 10419 H HA . PHE D 1 11 ? 53.179 -2.148 18.214 1.00 7.78 ? 11 PHE D HA 1 ATOM 10420 H HB2 . PHE D 1 11 ? 50.571 -1.355 17.380 1.00 9.55 ? 11 PHE D HB2 1 ATOM 10421 H HB3 . PHE D 1 11 ? 51.897 -0.526 17.109 1.00 9.55 ? 11 PHE D HB3 1 ATOM 10422 H HD1 . PHE D 1 11 ? 50.188 -3.442 16.115 1.00 10.25 ? 11 PHE D HD1 1 ATOM 10423 H HD2 . PHE D 1 11 ? 53.246 -1.031 15.219 1.00 10.69 ? 11 PHE D HD2 1 ATOM 10424 H HE1 . PHE D 1 11 ? 50.463 -4.563 14.086 1.00 12.10 ? 11 PHE D HE1 1 ATOM 10425 H HE2 . PHE D 1 11 ? 53.518 -2.144 13.205 1.00 12.14 ? 11 PHE D HE2 1 ATOM 10426 H HZ . PHE D 1 11 ? 52.124 -3.911 12.641 1.00 11.26 ? 11 PHE D HZ 1 ATOM 10427 N N . PRO D 1 12 ? 52.869 -1.489 20.643 1.00 7.46 ? 12 PRO D N 1 ATOM 10428 C CA . PRO D 1 12 ? 52.459 -1.258 22.038 1.00 7.79 ? 12 PRO D CA 1 ATOM 10429 C C . PRO D 1 12 ? 52.357 0.183 22.457 1.00 8.43 ? 12 PRO D C 1 ATOM 10430 O O . PRO D 1 12 ? 52.017 0.440 23.622 1.00 8.32 ? 12 PRO D O 1 ATOM 10431 C CB . PRO D 1 12 ? 53.551 -1.947 22.866 1.00 8.80 ? 12 PRO D CB 1 ATOM 10432 C CG . PRO D 1 12 ? 54.407 -2.749 21.833 1.00 9.12 ? 12 PRO D CG 1 ATOM 10433 C CD . PRO D 1 12 ? 54.244 -2.033 20.567 1.00 7.87 ? 12 PRO D CD 1 ATOM 10434 H HA . PRO D 1 12 ? 51.602 -1.700 22.212 1.00 9.34 ? 12 PRO D HA 1 ATOM 10435 H HB2 . PRO D 1 12 ? 54.092 -1.278 23.313 1.00 10.54 ? 12 PRO D HB2 1 ATOM 10436 H HB3 . PRO D 1 12 ? 53.143 -2.546 23.511 1.00 10.54 ? 12 PRO D HB3 1 ATOM 10437 H HG2 . PRO D 1 12 ? 55.337 -2.750 22.110 1.00 10.93 ? 12 PRO D HG2 1 ATOM 10438 H HG3 . PRO D 1 12 ? 54.069 -3.655 21.762 1.00 10.93 ? 12 PRO D HG3 1 ATOM 10439 H HD2 . PRO D 1 12 ? 54.889 -1.311 20.503 1.00 9.43 ? 12 PRO D HD2 1 ATOM 10440 H HD3 . PRO D 1 12 ? 54.323 -2.647 19.821 1.00 9.43 ? 12 PRO D HD3 1 ATOM 10441 N N . ARG D 1 13 ? 52.657 1.113 21.554 1.00 8.68 ? 13 ARG D N 1 ATOM 10442 C CA . ARG D 1 13 ? 52.631 2.522 21.897 1.00 7.78 ? 13 ARG D CA 1 ATOM 10443 C C . ARG D 1 13 ? 52.397 3.368 20.658 1.00 8.35 ? 13 ARG D C 1 ATOM 10444 O O . ARG D 1 13 ? 52.665 2.953 19.543 1.00 10.21 ? 13 ARG D O 1 ATOM 10445 C CB . ARG D 1 13 ? 53.962 2.957 22.509 1.00 8.85 ? 13 ARG D CB 1 ATOM 10446 C CG . ARG D 1 13 ? 55.059 2.974 21.443 1.00 11.70 ? 13 ARG D CG 1 ATOM 10447 C CD . ARG D 1 13 ? 56.464 3.405 21.907 1.00 15.31 ? 13 ARG D CD 1 ATOM 10448 N NE . ARG D 1 13 ? 57.381 3.278 20.776 1.00 13.10 ? 13 ARG D NE 1 ATOM 10449 C CZ . ARG D 1 13 ? 58.673 3.540 20.848 1.00 17.55 ? 13 ARG D CZ 1 ATOM 10450 N NH1 . ARG D 1 13 ? 59.218 3.920 22.001 1.00 24.11 ? 13 ARG D NH1 1 ATOM 10451 N NH2 . ARG D 1 13 ? 59.423 3.372 19.784 1.00 16.76 ? 13 ARG D NH2 1 ATOM 10452 H H . ARG D 1 13 ? 52.878 0.950 20.739 1.00 10.40 ? 13 ARG D H 1 ATOM 10453 H HA . ARG D 1 13 ? 51.914 2.696 22.541 1.00 9.33 ? 13 ARG D HA 1 ATOM 10454 H HB2 . ARG D 1 13 ? 53.874 3.851 22.874 1.00 10.61 ? 13 ARG D HB2 1 ATOM 10455 H HB3 . ARG D 1 13 ? 54.219 2.330 23.203 1.00 10.61 ? 13 ARG D HB3 1 ATOM 10456 H HG2 . ARG D 1 13 ? 55.140 2.080 21.077 1.00 14.03 ? 13 ARG D HG2 1 ATOM 10457 H HG3 . ARG D 1 13 ? 54.789 3.585 20.740 1.00 14.03 ? 13 ARG D HG3 1 ATOM 10458 H HD2 . ARG D 1 13 ? 56.447 4.332 22.194 1.00 18.36 ? 13 ARG D HD2 1 ATOM 10459 H HD3 . ARG D 1 13 ? 56.767 2.826 22.623 1.00 18.36 ? 13 ARG D HD3 1 ATOM 10460 H HE . ARG D 1 13 ? 57.002 3.101 19.901 1.00 15.71 ? 13 ARG D HE 1 ATOM 10461 H HH11 . ARG D 1 13 ? 58.725 4.019 22.698 1.00 28.92 ? 13 ARG D HH11 1 ATOM 10462 H HH12 . ARG D 1 13 ? 60.061 4.085 22.044 1.00 28.92 ? 13 ARG D HH12 1 ATOM 10463 H HH21 . ARG D 1 13 ? 59.067 3.123 19.042 1.00 20.10 ? 13 ARG D HH21 1 ATOM 10464 H HH22 . ARG D 1 13 ? 60.266 3.540 19.822 1.00 20.10 ? 13 ARG D HH22 1 ATOM 10465 N N . GLU D 1 14 ? 51.913 4.577 20.895 1.00 9.21 ? 14 GLU D N 1 ATOM 10466 C CA . GLU D 1 14 ? 51.809 5.570 19.836 1.00 10.25 ? 14 GLU D CA 1 ATOM 10467 C C . GLU D 1 14 ? 53.188 6.106 19.465 1.00 9.48 ? 14 GLU D C 1 ATOM 10468 O O . GLU D 1 14 ? 54.021 6.368 20.351 1.00 12.04 ? 14 GLU D O 1 ATOM 10469 C CB . GLU D 1 14 ? 50.934 6.718 20.306 1.00 10.50 ? 14 GLU D CB 1 ATOM 10470 C CG . GLU D 1 14 ? 50.693 7.783 19.279 1.00 9.85 ? 14 GLU D CG 1 ATOM 10471 C CD . GLU D 1 14 ? 49.632 8.770 19.735 1.00 15.44 ? 14 GLU D CD 1 ATOM 10472 O OE1 . GLU D 1 14 ? 50.053 9.875 20.152 1.00 25.96 ? 14 GLU D OE1 1 ATOM 10473 O OE2 . GLU D 1 14 ? 48.414 8.452 19.720 1.00 15.57 ? 14 GLU D OE2 1 ATOM 10474 H H . GLU D 1 14 ? 51.636 4.850 21.662 1.00 11.04 ? 14 GLU D H 1 ATOM 10475 H HA . GLU D 1 14 ? 51.402 5.167 19.041 1.00 12.28 ? 14 GLU D HA 1 ATOM 10476 H HB2 . GLU D 1 14 ? 50.070 6.362 20.568 1.00 12.59 ? 14 GLU D HB2 1 ATOM 10477 H HB3 . GLU D 1 14 ? 51.359 7.138 21.070 1.00 12.59 ? 14 GLU D HB3 1 ATOM 10478 H HG2 . GLU D 1 14 ? 51.516 8.271 19.125 1.00 11.81 ? 14 GLU D HG2 1 ATOM 10479 H HG3 . GLU D 1 14 ? 50.389 7.370 18.455 1.00 11.81 ? 14 GLU D HG3 1 ATOM 10480 N N . SER D 1 15 ? 53.400 6.273 18.164 1.00 9.35 ? 15 SER D N 1 ATOM 10481 C CA . SER D 1 15 ? 54.694 6.719 17.638 1.00 9.29 ? 15 SER D CA 1 ATOM 10482 C C . SER D 1 15 ? 54.519 7.117 16.205 1.00 9.41 ? 15 SER D C 1 ATOM 10483 O O . SER D 1 15 ? 53.473 6.881 15.597 1.00 10.45 ? 15 SER D O 1 ATOM 10484 C CB . SER D 1 15 ? 55.757 5.617 17.661 1.00 11.44 ? 15 SER D CB 1 ATOM 10485 O OG . SER D 1 15 ? 55.576 4.696 16.618 1.00 10.19 ? 15 SER D OG 1 ATOM 10486 H H . SER D 1 15 ? 52.807 6.134 17.556 1.00 11.21 ? 15 SER D H 1 ATOM 10487 H HA . SER D 1 15 ? 55.018 7.490 18.149 1.00 11.13 ? 15 SER D HA 1 ATOM 10488 H HB2 . SER D 1 15 ? 56.632 6.025 17.570 1.00 13.71 ? 15 SER D HB2 1 ATOM 10489 H HB3 . SER D 1 15 ? 55.701 5.146 18.507 1.00 13.71 ? 15 SER D HB3 1 ATOM 10490 H HG . SER D 1 15 ? 54.924 4.906 16.168 1.00 12.21 ? 15 SER D HG 1 ATOM 10491 N N . VAL D 1 16 ? 55.573 7.709 15.659 1.00 10.37 ? 16 VAL D N 1 ATOM 10492 C CA . VAL D 1 16 ? 55.652 7.972 14.231 1.00 11.83 ? 16 VAL D CA 1 ATOM 10493 C C . VAL D 1 16 ? 56.633 7.017 13.580 1.00 12.16 ? 16 VAL D C 1 ATOM 10494 O O . VAL D 1 16 ? 56.869 7.099 12.373 1.00 18.26 ? 16 VAL D O 1 ATOM 10495 C CB . VAL D 1 16 ? 55.995 9.472 13.966 1.00 13.26 ? 16 VAL D CB 1 ATOM 10496 C CG1 . VAL D 1 16 ? 57.484 9.744 14.258 1.00 13.40 ? 16 VAL D CG1 1 ATOM 10497 C CG2 . VAL D 1 16 ? 55.590 9.886 12.553 1.00 19.63 ? 16 VAL D CG2 1 ATOM 10498 H H . VAL D 1 16 ? 56.263 7.972 16.101 1.00 12.43 ? 16 VAL D H 1 ATOM 10499 H HA . VAL D 1 16 ? 54.772 7.801 13.837 1.00 14.19 ? 16 VAL D HA 1 ATOM 10500 H HB . VAL D 1 16 ? 55.473 10.019 14.589 1.00 15.90 ? 16 VAL D HB 1 ATOM 10501 H HG11 . VAL D 1 16 ? 57.671 10.670 14.089 1.00 16.07 ? 16 VAL D HG11 1 ATOM 10502 H HG12 . VAL D 1 16 ? 57.665 9.536 15.178 1.00 16.07 ? 16 VAL D HG12 1 ATOM 10503 H HG13 . VAL D 1 16 ? 58.020 9.191 13.686 1.00 16.07 ? 16 VAL D HG13 1 ATOM 10504 H HG21 . VAL D 1 16 ? 55.814 10.810 12.423 1.00 23.55 ? 16 VAL D HG21 1 ATOM 10505 H HG22 . VAL D 1 16 ? 56.064 9.341 11.920 1.00 23.55 ? 16 VAL D HG22 1 ATOM 10506 H HG23 . VAL D 1 16 ? 54.644 9.759 12.450 1.00 23.55 ? 16 VAL D HG23 1 ATOM 10507 N N . THR D 1 17 ? 57.231 6.121 14.360 1.00 11.30 ? 17 THR D N 1 ATOM 10508 C CA . THR D 1 17 ? 58.278 5.261 13.878 1.00 13.35 ? 17 THR D CA 1 ATOM 10509 C C . THR D 1 17 ? 57.945 3.766 13.793 1.00 11.97 ? 17 THR D C 1 ATOM 10510 O O . THR D 1 17 ? 58.523 3.051 12.955 1.00 14.93 ? 17 THR D O 1 ATOM 10511 C CB . THR D 1 17 ? 59.500 5.392 14.801 1.00 19.34 ? 17 THR D CB 1 ATOM 10512 O OG1 . THR D 1 17 ? 59.108 5.140 16.158 1.00 23.09 ? 17 THR D OG1 1 ATOM 10513 C CG2 . THR D 1 17 ? 60.075 6.788 14.695 1.00 31.99 ? 17 THR D CG2 1 ATOM 10514 H H . THR D 1 17 ? 57.036 5.997 15.188 1.00 13.54 ? 17 THR D H 1 ATOM 10515 H HA . THR D 1 17 ? 58.543 5.560 12.983 1.00 16.01 ? 17 THR D HA 1 ATOM 10516 H HB . THR D 1 17 ? 60.181 4.754 14.534 1.00 23.19 ? 17 THR D HB 1 ATOM 10517 H HG1 . THR D 1 17 ? 58.800 4.383 16.225 1.00 27.69 ? 17 THR D HG1 1 ATOM 10518 H HG21 . THR D 1 17 ? 60.839 6.873 15.270 1.00 38.37 ? 17 THR D HG21 1 ATOM 10519 H HG22 . THR D 1 17 ? 60.345 6.964 13.790 1.00 38.37 ? 17 THR D HG22 1 ATOM 10520 H HG23 . THR D 1 17 ? 59.415 7.435 14.955 1.00 38.37 ? 17 THR D HG23 1 ATOM 10521 N N . ASP D 1 18 ? 57.096 3.264 14.684 1.00 11.41 ? 18 ASP D N 1 ATOM 10522 C CA . ASP D 1 18 ? 56.933 1.807 14.818 1.00 10.86 ? 18 ASP D CA 1 ATOM 10523 C C . ASP D 1 18 ? 56.059 1.295 13.687 1.00 9.27 ? 18 ASP D C 1 ATOM 10524 O O . ASP D 1 18 ? 54.955 1.792 13.461 1.00 10.23 ? 18 ASP D O 1 ATOM 10525 C CB . ASP D 1 18 ? 56.268 1.470 16.155 1.00 9.88 ? 18 ASP D CB 1 ATOM 10526 C CG . ASP D 1 18 ? 57.005 2.045 17.373 1.00 11.83 ? 18 ASP D CG 1 ATOM 10527 O OD1 . ASP D 1 18 ? 58.238 2.282 17.308 1.00 12.96 ? 18 ASP D OD1 1 ATOM 10528 O OD2 . ASP D 1 18 ? 56.355 2.268 18.426 1.00 11.56 ? 18 ASP D OD2 1 ATOM 10529 H H . ASP D 1 18 ? 56.608 3.730 15.217 1.00 13.68 ? 18 ASP D H 1 ATOM 10530 H HA . ASP D 1 18 ? 57.807 1.365 14.774 1.00 13.02 ? 18 ASP D HA 1 ATOM 10531 H HB2 . ASP D 1 18 ? 55.367 1.831 16.155 1.00 11.84 ? 18 ASP D HB2 1 ATOM 10532 H HB3 . ASP D 1 18 ? 56.236 0.506 16.254 1.00 11.84 ? 18 ASP D HB3 1 ATOM 10533 N N . HIS D 1 19 ? 56.548 0.300 12.950 1.00 9.56 ? 19 HIS D N 1 ATOM 10534 C CA . HIS D 1 19 ? 55.778 -0.260 11.861 1.00 9.99 ? 19 HIS D CA 1 ATOM 10535 C C . HIS D 1 19 ? 56.275 -1.623 11.427 1.00 9.53 ? 19 HIS D C 1 ATOM 10536 O O . HIS D 1 19 ? 57.371 -2.024 11.799 1.00 10.52 ? 19 HIS D O 1 ATOM 10537 C CB . HIS D 1 19 ? 55.719 0.697 10.672 1.00 8.60 ? 19 HIS D CB 1 ATOM 10538 C CG . HIS D 1 19 ? 57.034 0.918 9.966 1.00 8.65 ? 19 HIS D CG 1 ATOM 10539 N ND1 . HIS D 1 19 ? 58.027 1.718 10.495 1.00 12.02 ? 19 HIS D ND1 1 ATOM 10540 C CD2 . HIS D 1 19 ? 57.495 0.501 8.756 1.00 10.13 ? 19 HIS D CD2 1 ATOM 10541 C CE1 . HIS D 1 19 ? 59.044 1.784 9.649 1.00 14.92 ? 19 HIS D CE1 1 ATOM 10542 N NE2 . HIS D 1 19 ? 58.743 1.073 8.580 1.00 14.56 ? 19 HIS D NE2 1 ATOM 10543 H H . HIS D 1 19 ? 57.319 -0.063 13.065 1.00 11.46 ? 19 HIS D H 1 ATOM 10544 H HA . HIS D 1 19 ? 54.857 -0.380 12.176 1.00 11.98 ? 19 HIS D HA 1 ATOM 10545 H HB2 . HIS D 1 19 ? 55.094 0.343 10.021 1.00 10.30 ? 19 HIS D HB2 1 ATOM 10546 H HB3 . HIS D 1 19 ? 55.407 1.561 10.986 1.00 10.30 ? 19 HIS D HB3 1 ATOM 10547 H HD1 . HIS D 1 19 ? 57.986 2.120 11.254 1.00 14.42 ? 19 HIS D HD1 1 ATOM 10548 H HD2 . HIS D 1 19 ? 57.043 -0.037 8.147 1.00 12.14 ? 19 HIS D HD2 1 ATOM 10549 H HE1 . HIS D 1 19 ? 59.837 2.250 9.787 1.00 17.90 ? 19 HIS D HE1 1 ATOM 10550 N N . VAL D 1 20 ? 55.470 -2.308 10.616 1.00 8.82 ? 20 VAL D N 1 ATOM 10551 C CA . VAL D 1 20 ? 55.862 -3.558 9.986 1.00 8.50 ? 20 VAL D CA 1 ATOM 10552 C C . VAL D 1 20 ? 55.678 -3.386 8.471 1.00 9.27 ? 20 VAL D C 1 ATOM 10553 O O . VAL D 1 20 ? 54.630 -2.933 8.008 1.00 9.94 ? 20 VAL D O 1 ATOM 10554 C CB . VAL D 1 20 ? 55.023 -4.755 10.481 1.00 9.62 ? 20 VAL D CB 1 ATOM 10555 C CG1 . VAL D 1 20 ? 55.442 -6.015 9.729 1.00 14.23 ? 20 VAL D CG1 1 ATOM 10556 C CG2 . VAL D 1 20 ? 55.192 -4.944 11.963 1.00 10.21 ? 20 VAL D CG2 1 ATOM 10557 H H . VAL D 1 20 ? 54.672 -2.059 10.414 1.00 10.57 ? 20 VAL D H 1 ATOM 10558 H HA . VAL D 1 20 ? 56.807 -3.739 10.170 1.00 10.19 ? 20 VAL D HA 1 ATOM 10559 H HB . VAL D 1 20 ? 54.076 -4.586 10.298 1.00 11.53 ? 20 VAL D HB 1 ATOM 10560 H HG11 . VAL D 1 20 ? 54.916 -6.755 10.042 1.00 17.06 ? 20 VAL D HG11 1 ATOM 10561 H HG12 . VAL D 1 20 ? 55.293 -5.882 8.790 1.00 17.06 ? 20 VAL D HG12 1 ATOM 10562 H HG13 . VAL D 1 20 ? 56.373 -6.182 9.893 1.00 17.06 ? 20 VAL D HG13 1 ATOM 10563 H HG21 . VAL D 1 20 ? 54.661 -5.693 12.245 1.00 12.23 ? 20 VAL D HG21 1 ATOM 10564 H HG22 . VAL D 1 20 ? 56.119 -5.109 12.153 1.00 12.23 ? 20 VAL D HG22 1 ATOM 10565 H HG23 . VAL D 1 20 ? 54.902 -4.148 12.415 1.00 12.23 ? 20 VAL D HG23 1 ATOM 10566 N N . ASN D 1 21 ? 56.725 -3.718 7.695 1.00 10.23 ? 21 ASN D N 1 ATOM 10567 C CA . ASN D 1 21 ? 56.601 -3.793 6.248 1.00 10.64 ? 21 ASN D CA 1 ATOM 10568 C C . ASN D 1 21 ? 56.221 -5.208 5.868 1.00 9.64 ? 21 ASN D C 1 ATOM 10569 O O . ASN D 1 21 ? 56.830 -6.167 6.361 1.00 11.54 ? 21 ASN D O 1 ATOM 10570 C CB . ASN D 1 21 ? 57.925 -3.424 5.589 1.00 11.61 ? 21 ASN D CB 1 ATOM 10571 C CG . ASN D 1 21 ? 58.387 -2.008 5.930 1.00 12.49 ? 21 ASN D CG 1 ATOM 10572 O OD1 . ASN D 1 21 ? 57.605 -1.080 6.036 1.00 14.03 ? 21 ASN D OD1 1 ATOM 10573 N ND2 . ASN D 1 21 ? 59.696 -1.860 6.111 1.00 15.24 ? 21 ASN D ND2 1 ATOM 10574 H H . ASN D 1 21 ? 57.511 -3.901 7.991 1.00 12.26 ? 21 ASN D H 1 ATOM 10575 H HA . ASN D 1 21 ? 55.904 -3.178 5.936 1.00 12.75 ? 21 ASN D HA 1 ATOM 10576 H HB2 . ASN D 1 21 ? 58.609 -4.043 5.889 1.00 13.92 ? 21 ASN D HB2 1 ATOM 10577 H HB3 . ASN D 1 21 ? 57.825 -3.483 4.626 1.00 13.92 ? 21 ASN D HB3 1 ATOM 10578 H HD21 . ASN D 1 21 ? 60.064 -0.979 6.333 1.00 18.28 ? 21 ASN D HD21 1 ATOM 10579 H HD22 . ASN D 1 21 ? 60.293 -2.633 6.023 1.00 18.28 ? 21 ASN D HD22 1 ATOM 10580 N N . LEU D 1 22 ? 55.225 -5.333 5.005 1.00 10.20 ? 22 LEU D N 1 ATOM 10581 C CA . LEU D 1 22 ? 54.810 -6.619 4.482 1.00 10.97 ? 22 LEU D CA 1 ATOM 10582 C C . LEU D 1 22 ? 55.307 -6.739 3.053 1.00 11.14 ? 22 LEU D C 1 ATOM 10583 O O . LEU D 1 22 ? 55.067 -5.875 2.214 1.00 13.08 ? 22 LEU D O 1 ATOM 10584 C CB . LEU D 1 22 ? 53.291 -6.803 4.520 1.00 11.41 ? 22 LEU D CB 1 ATOM 10585 C CG . LEU D 1 22 ? 52.692 -6.656 5.916 1.00 9.02 ? 22 LEU D CG 1 ATOM 10586 C CD1 . LEU D 1 22 ? 51.190 -6.845 5.805 1.00 12.64 ? 22 LEU D CD1 1 ATOM 10587 C CD2 . LEU D 1 22 ? 53.268 -7.639 6.928 1.00 12.43 ? 22 LEU D CD2 1 ATOM 10588 H H . LEU D 1 22 ? 54.765 -4.673 4.703 1.00 12.23 ? 22 LEU D H 1 ATOM 10589 H HA . LEU D 1 22 ? 55.221 -7.333 5.012 1.00 13.15 ? 22 LEU D HA 1 ATOM 10590 H HB2 . LEU D 1 22 ? 52.880 -6.135 3.948 1.00 13.68 ? 22 LEU D HB2 1 ATOM 10591 H HB3 . LEU D 1 22 ? 53.074 -7.691 4.195 1.00 13.68 ? 22 LEU D HB3 1 ATOM 10592 H HG . LEU D 1 22 ? 52.859 -5.757 6.240 1.00 10.81 ? 22 LEU D HG 1 ATOM 10593 H HD11 . LEU D 1 22 ? 50.799 -6.755 6.678 1.00 15.15 ? 22 LEU D HD11 1 ATOM 10594 H HD12 . LEU D 1 22 ? 50.834 -6.176 5.216 1.00 15.15 ? 22 LEU D HD12 1 ATOM 10595 H HD13 . LEU D 1 22 ? 51.010 -7.720 5.454 1.00 15.15 ? 22 LEU D HD13 1 ATOM 10596 H HD21 . LEU D 1 22 ? 52.850 -7.492 7.780 1.00 14.91 ? 22 LEU D HD21 1 ATOM 10597 H HD22 . LEU D 1 22 ? 53.095 -8.535 6.628 1.00 14.91 ? 22 LEU D HD22 1 ATOM 10598 H HD23 . LEU D 1 22 ? 54.215 -7.496 6.999 1.00 14.91 ? 22 LEU D HD23 1 ATOM 10599 N N . ILE D 1 23 ? 55.998 -7.841 2.782 1.00 12.17 ? 23 ILE D N 1 ATOM 10600 C CA A ILE D 1 23 ? 56.658 -8.034 1.503 0.54 14.53 ? 23 ILE D CA 1 ATOM 10601 C CA B ILE D 1 23 ? 56.659 -8.019 1.505 0.46 14.63 ? 23 ILE D CA 1 ATOM 10602 C C . ILE D 1 23 ? 55.912 -9.032 0.641 1.00 14.05 ? 23 ILE D C 1 ATOM 10603 O O . ILE D 1 23 ? 55.663 -10.164 1.068 1.00 16.58 ? 23 ILE D O 1 ATOM 10604 C CB A ILE D 1 23 ? 58.071 -8.571 1.730 0.54 15.95 ? 23 ILE D CB 1 ATOM 10605 C CB B ILE D 1 23 ? 58.110 -8.468 1.753 0.46 14.87 ? 23 ILE D CB 1 ATOM 10606 C CG1 A ILE D 1 23 ? 58.867 -7.656 2.652 0.54 19.08 ? 23 ILE D CG1 1 ATOM 10607 C CG1 B ILE D 1 23 ? 58.837 -7.449 2.631 0.46 20.35 ? 23 ILE D CG1 1 ATOM 10608 C CG2 A ILE D 1 23 ? 58.777 -8.753 0.380 0.54 20.29 ? 23 ILE D CG2 1 ATOM 10609 C CG2 B ILE D 1 23 ? 58.832 -8.660 0.421 0.46 20.14 ? 23 ILE D CG2 1 ATOM 10610 C CD1 A ILE D 1 23 ? 58.927 -6.213 2.186 0.54 18.93 ? 23 ILE D CD1 1 ATOM 10611 C CD1 B ILE D 1 23 ? 60.148 -7.939 3.214 0.46 17.88 ? 23 ILE D CD1 1 ATOM 10612 H H A ILE D 1 23 ? 56.099 -8.496 3.330 0.54 14.59 ? 23 ILE D H 1 ATOM 10613 H H B ILE D 1 23 ? 56.097 -8.500 3.326 0.46 14.59 ? 23 ILE D H 1 ATOM 10614 H HA A ILE D 1 23 ? 56.715 -7.180 1.024 0.54 17.43 ? 23 ILE D HA 1 ATOM 10615 H HA B ILE D 1 23 ? 56.678 -7.163 1.028 0.46 17.54 ? 23 ILE D HA 1 ATOM 10616 H HB A ILE D 1 23 ? 58.000 -9.440 2.154 0.54 19.13 ? 23 ILE D HB 1 ATOM 10617 H HB B ILE D 1 23 ? 58.093 -9.318 2.219 0.46 17.83 ? 23 ILE D HB 1 ATOM 10618 H HG12 A ILE D 1 23 ? 58.456 -7.666 3.531 0.54 22.89 ? 23 ILE D HG12 1 ATOM 10619 H HG12 B ILE D 1 23 ? 59.029 -6.662 2.098 0.46 24.41 ? 23 ILE D HG12 1 ATOM 10620 H HG13 A ILE D 1 23 ? 59.777 -7.986 2.711 0.54 22.89 ? 23 ILE D HG13 1 ATOM 10621 H HG13 B ILE D 1 23 ? 58.258 -7.209 3.371 0.46 24.41 ? 23 ILE D HG13 1 ATOM 10622 H HG21 A ILE D 1 23 ? 59.662 -9.091 0.534 0.54 24.33 ? 23 ILE D HG21 1 ATOM 10623 H HG21 B ILE D 1 23 ? 59.735 -8.940 0.594 0.46 24.15 ? 23 ILE D HG21 1 ATOM 10624 H HG22 A ILE D 1 23 ? 58.276 -9.376 -0.152 0.54 24.33 ? 23 ILE D HG22 1 ATOM 10625 H HG22 B ILE D 1 23 ? 58.373 -9.332 -0.089 0.46 24.15 ? 23 ILE D HG22 1 ATOM 10626 H HG23 A ILE D 1 23 ? 58.822 -7.904 -0.066 0.54 24.33 ? 23 ILE D HG23 1 ATOM 10627 H HG23 B ILE D 1 23 ? 58.833 -7.828 -0.057 0.46 24.15 ? 23 ILE D HG23 1 ATOM 10628 H HD11 A ILE D 1 23 ? 59.442 -5.703 2.816 0.54 22.70 ? 23 ILE D HD11 1 ATOM 10629 H HD11 B ILE D 1 23 ? 60.533 -7.239 3.748 0.46 21.44 ? 23 ILE D HD11 1 ATOM 10630 H HD12 A ILE D 1 23 ? 59.343 -6.182 1.321 0.54 22.70 ? 23 ILE D HD12 1 ATOM 10631 H HD12 B ILE D 1 23 ? 59.978 -8.711 3.759 0.46 21.44 ? 23 ILE D HD12 1 ATOM 10632 H HD13 A ILE D 1 23 ? 58.035 -5.864 2.134 0.54 22.70 ? 23 ILE D HD13 1 ATOM 10633 H HD13 B ILE D 1 23 ? 60.743 -8.168 2.496 0.46 21.44 ? 23 ILE D HD13 1 ATOM 10634 N N . THR D 1 24 ? 55.542 -8.611 -0.573 1.00 19.46 ? 24 THR D N 1 ATOM 10635 C CA . THR D 1 24 ? 54.887 -9.493 -1.520 1.00 24.56 ? 24 THR D CA 1 ATOM 10636 C C . THR D 1 24 ? 55.482 -9.174 -2.891 1.00 23.78 ? 24 THR D C 1 ATOM 10637 O O . THR D 1 24 ? 55.711 -8.011 -3.213 1.00 30.33 ? 24 THR D O 1 ATOM 10638 C CB . THR D 1 24 ? 53.341 -9.292 -1.513 1.00 27.60 ? 24 THR D CB 1 ATOM 10639 O OG1 . THR D 1 24 ? 52.693 -10.238 -2.389 1.00 27.88 ? 24 THR D OG1 1 ATOM 10640 C CG2 . THR D 1 24 ? 52.979 -7.881 -1.920 1.00 28.70 ? 24 THR D CG2 1 ATOM 10641 H H . THR D 1 24 ? 55.664 -7.812 -0.867 1.00 23.34 ? 24 THR D H 1 ATOM 10642 H HA . THR D 1 24 ? 55.086 -10.427 -1.298 1.00 29.45 ? 24 THR D HA 1 ATOM 10643 H HB . THR D 1 24 ? 53.014 -9.431 -0.611 1.00 33.11 ? 24 THR D HB 1 ATOM 10644 H HG1 . THR D 1 24 ? 52.856 -11.004 -2.144 1.00 33.44 ? 24 THR D HG1 1 ATOM 10645 H HG21 . THR D 1 24 ? 52.026 -7.772 -1.912 1.00 34.43 ? 24 THR D HG21 1 ATOM 10646 H HG22 . THR D 1 24 ? 53.371 -7.253 -1.309 1.00 34.43 ? 24 THR D HG22 1 ATOM 10647 H HG23 . THR D 1 24 ? 53.307 -7.701 -2.805 1.00 34.43 ? 24 THR D HG23 1 ATOM 10648 N N . PRO D 1 25 ? 55.731 -10.201 -3.697 1.00 30.79 ? 25 PRO D N 1 ATOM 10649 C CA . PRO D 1 25 ? 56.296 -10.010 -5.037 1.00 42.28 ? 25 PRO D CA 1 ATOM 10650 C C . PRO D 1 25 ? 55.201 -9.700 -6.041 1.00 39.67 ? 25 PRO D C 1 ATOM 10651 O O . PRO D 1 25 ? 55.020 -10.437 -7.012 1.00 53.38 ? 25 PRO D O 1 ATOM 10652 C CB . PRO D 1 25 ? 56.902 -11.373 -5.334 1.00 36.58 ? 25 PRO D CB 1 ATOM 10653 C CG . PRO D 1 25 ? 55.928 -12.325 -4.662 1.00 36.78 ? 25 PRO D CG 1 ATOM 10654 C CD . PRO D 1 25 ? 55.447 -11.620 -3.416 1.00 31.27 ? 25 PRO D CD 1 ATOM 10655 H HA . PRO D 1 25 ? 56.986 -9.314 -5.045 1.00 50.72 ? 25 PRO D HA 1 ATOM 10656 H HB2 . PRO D 1 25 ? 56.934 -11.523 -6.292 1.00 43.88 ? 25 PRO D HB2 1 ATOM 10657 H HB3 . PRO D 1 25 ? 57.785 -11.439 -4.938 1.00 43.88 ? 25 PRO D HB3 1 ATOM 10658 H HG2 . PRO D 1 25 ? 55.186 -12.504 -5.260 1.00 44.12 ? 25 PRO D HG2 1 ATOM 10659 H HG3 . PRO D 1 25 ? 56.386 -13.148 -4.432 1.00 44.12 ? 25 PRO D HG3 1 ATOM 10660 H HD2 . PRO D 1 25 ? 54.495 -11.758 -3.296 1.00 37.51 ? 25 PRO D HD2 1 ATOM 10661 H HD3 . PRO D 1 25 ? 55.951 -11.919 -2.643 1.00 37.51 ? 25 PRO D HD3 1 ATOM 10662 N N . LEU D 1 26 ? 54.467 -8.622 -5.804 1.00 25.62 ? 26 LEU D N 1 ATOM 10663 C CA . LEU D 1 26 ? 53.344 -8.292 -6.651 1.00 22.11 ? 26 LEU D CA 1 ATOM 10664 C C . LEU D 1 26 ? 53.803 -7.410 -7.794 1.00 31.26 ? 26 LEU D C 1 ATOM 10665 O O . LEU D 1 26 ? 54.159 -6.251 -7.600 1.00 29.60 ? 26 LEU D O 1 ATOM 10666 C CB . LEU D 1 26 ? 52.236 -7.603 -5.841 1.00 32.41 ? 26 LEU D CB 1 ATOM 10667 C CG . LEU D 1 26 ? 50.885 -7.478 -6.544 1.00 36.95 ? 26 LEU D CG 1 ATOM 10668 C CD1 . LEU D 1 26 ? 50.366 -8.837 -7.013 1.00 37.67 ? 26 LEU D CD1 1 ATOM 10669 C CD2 . LEU D 1 26 ? 49.904 -6.811 -5.598 1.00 39.52 ? 26 LEU D CD2 1 ATOM 10670 H H . LEU D 1 26 ? 54.602 -8.068 -5.160 1.00 30.73 ? 26 LEU D H 1 ATOM 10671 H HA . LEU D 1 26 ? 52.976 -9.117 -7.031 1.00 26.52 ? 26 LEU D HA 1 ATOM 10672 H HB2 . LEU D 1 26 ? 52.093 -8.108 -5.025 1.00 38.88 ? 26 LEU D HB2 1 ATOM 10673 H HB3 . LEU D 1 26 ? 52.531 -6.706 -5.618 1.00 38.88 ? 26 LEU D HB3 1 ATOM 10674 H HG . LEU D 1 26 ? 50.985 -6.909 -7.323 1.00 44.32 ? 26 LEU D HG 1 ATOM 10675 H HD11 . LEU D 1 26 ? 49.519 -8.715 -7.448 1.00 45.19 ? 26 LEU D HD11 1 ATOM 10676 H HD12 . LEU D 1 26 ? 50.998 -9.217 -7.628 1.00 45.19 ? 26 LEU D HD12 1 ATOM 10677 H HD13 . LEU D 1 26 ? 50.263 -9.412 -6.251 1.00 45.19 ? 26 LEU D HD13 1 ATOM 10678 H HD21 . LEU D 1 26 ? 49.053 -6.731 -6.036 1.00 47.41 ? 26 LEU D HD21 1 ATOM 10679 H HD22 . LEU D 1 26 ? 49.816 -7.350 -4.808 1.00 47.41 ? 26 LEU D HD22 1 ATOM 10680 H HD23 . LEU D 1 26 ? 50.236 -5.941 -5.366 1.00 47.41 ? 26 LEU D HD23 1 ATOM 10681 N N . GLU D 1 27 ? 53.790 -7.977 -8.992 1.00 23.56 ? 27 GLU D N 1 ATOM 10682 C CA . GLU D 1 27 ? 54.328 -7.290 -10.149 1.00 23.77 ? 27 GLU D CA 1 ATOM 10683 C C . GLU D 1 27 ? 53.253 -6.856 -11.121 1.00 22.19 ? 27 GLU D C 1 ATOM 10684 O O . GLU D 1 27 ? 53.479 -5.950 -11.931 1.00 31.45 ? 27 GLU D O 1 ATOM 10685 C CB . GLU D 1 27 ? 55.329 -8.220 -10.850 1.00 28.21 ? 27 GLU D CB 1 ATOM 10686 C CG . GLU D 1 27 ? 56.464 -8.647 -9.959 1.00 38.75 ? 27 GLU D CG 1 ATOM 10687 C CD . GLU D 1 27 ? 57.327 -7.473 -9.532 1.00 57.23 ? 27 GLU D CD 1 ATOM 10688 O OE1 . GLU D 1 27 ? 58.031 -7.588 -8.498 1.00 64.78 ? 27 GLU D OE1 1 ATOM 10689 O OE2 . GLU D 1 27 ? 57.297 -6.432 -10.233 1.00 54.05 ? 27 GLU D OE2 1 ATOM 10690 H H . GLU D 1 27 ? 53.476 -8.760 -9.159 1.00 28.27 ? 27 GLU D H 1 ATOM 10691 H HA . GLU D 1 27 ? 54.810 -6.490 -9.852 1.00 28.51 ? 27 GLU D HA 1 ATOM 10692 H HB2 . GLU D 1 27 ? 54.863 -9.019 -11.144 1.00 33.84 ? 27 GLU D HB2 1 ATOM 10693 H HB3 . GLU D 1 27 ? 55.706 -7.758 -11.615 1.00 33.84 ? 27 GLU D HB3 1 ATOM 10694 H HG2 . GLU D 1 27 ? 56.103 -9.062 -9.160 1.00 46.49 ? 27 GLU D HG2 1 ATOM 10695 H HG3 . GLU D 1 27 ? 57.026 -9.276 -10.438 1.00 46.49 ? 27 GLU D HG3 1 ATOM 10696 N N . LYS D 1 28 ? 52.094 -7.517 -11.067 1.00 21.45 ? 28 LYS D N 1 ATOM 10697 C CA . LYS D 1 28 ? 51.001 -7.226 -11.962 1.00 20.00 ? 28 LYS D CA 1 ATOM 10698 C C . LYS D 1 28 ? 49.940 -6.430 -11.201 1.00 19.01 ? 28 LYS D C 1 ATOM 10699 O O . LYS D 1 28 ? 49.612 -6.768 -10.075 1.00 22.60 ? 28 LYS D O 1 ATOM 10700 C CB . LYS D 1 28 ? 50.389 -8.527 -12.507 1.00 31.31 ? 28 LYS D CB 1 ATOM 10701 C CG . LYS D 1 28 ? 49.311 -8.313 -13.587 1.00 47.69 ? 28 LYS D CG 1 ATOM 10702 C CD . LYS D 1 28 ? 49.026 -9.588 -14.408 1.00 61.85 ? 28 LYS D CD 1 ATOM 10703 C CE . LYS D 1 28 ? 48.022 -10.531 -13.728 1.00 63.04 ? 28 LYS D CE 1 ATOM 10704 N NZ . LYS D 1 28 ? 46.594 -10.135 -13.958 1.00 58.24 ? 28 LYS D NZ 1 ATOM 10705 H H . LYS D 1 28 ? 51.925 -8.148 -10.507 1.00 25.73 ? 28 LYS D H 1 ATOM 10706 H HA . LYS D 1 28 ? 51.322 -6.687 -12.715 1.00 23.98 ? 28 LYS D HA 1 ATOM 10707 H HB2 . LYS D 1 28 ? 51.097 -9.064 -12.898 1.00 37.56 ? 28 LYS D HB2 1 ATOM 10708 H HB3 . LYS D 1 28 ? 49.980 -9.010 -11.773 1.00 37.56 ? 28 LYS D HB3 1 ATOM 10709 H HG2 . LYS D 1 28 ? 48.485 -8.041 -13.158 1.00 57.22 ? 28 LYS D HG2 1 ATOM 10710 H HG3 . LYS D 1 28 ? 49.610 -7.623 -14.199 1.00 57.22 ? 28 LYS D HG3 1 ATOM 10711 H HD2 . LYS D 1 28 ? 48.660 -9.332 -15.269 1.00 74.21 ? 28 LYS D HD2 1 ATOM 10712 H HD3 . LYS D 1 28 ? 49.856 -10.074 -14.532 1.00 74.21 ? 28 LYS D HD3 1 ATOM 10713 H HE2 . LYS D 1 28 ? 48.144 -11.427 -14.079 1.00 75.63 ? 28 LYS D HE2 1 ATOM 10714 H HE3 . LYS D 1 28 ? 48.184 -10.525 -12.771 1.00 75.63 ? 28 LYS D HE3 1 ATOM 10715 H HZ1 . LYS D 1 28 ? 46.007 -10.752 -13.515 1.00 69.87 ? 28 LYS D HZ1 1 ATOM 10716 H HZ2 . LYS D 1 28 ? 46.439 -9.253 -13.611 1.00 69.87 ? 28 LYS D HZ2 1 ATOM 10717 H HZ3 . LYS D 1 28 ? 46.400 -10.139 -14.898 1.00 69.87 ? 28 LYS D HZ3 1 ATOM 10718 N N . PRO D 1 29 ? 49.429 -5.374 -11.822 1.00 16.52 ? 29 PRO D N 1 ATOM 10719 C CA . PRO D 1 29 ? 48.360 -4.564 -11.217 1.00 17.58 ? 29 PRO D CA 1 ATOM 10720 C C . PRO D 1 29 ? 47.199 -5.445 -10.817 1.00 17.00 ? 29 PRO D C 1 ATOM 10721 O O . PRO D 1 29 ? 46.927 -6.452 -11.499 1.00 18.60 ? 29 PRO D O 1 ATOM 10722 C CB . PRO D 1 29 ? 47.969 -3.619 -12.341 1.00 19.08 ? 29 PRO D CB 1 ATOM 10723 C CG . PRO D 1 29 ? 49.245 -3.478 -13.174 1.00 24.99 ? 29 PRO D CG 1 ATOM 10724 C CD . PRO D 1 29 ? 49.834 -4.855 -13.140 1.00 18.20 ? 29 PRO D CD 1 ATOM 10725 H HA . PRO D 1 29 ? 48.689 -4.058 -10.445 1.00 21.09 ? 29 PRO D HA 1 ATOM 10726 H HB2 . PRO D 1 29 ? 47.254 -4.010 -12.867 1.00 22.89 ? 29 PRO D HB2 1 ATOM 10727 H HB3 . PRO D 1 29 ? 47.700 -2.762 -11.974 1.00 22.89 ? 29 PRO D HB3 1 ATOM 10728 H HG2 . PRO D 1 29 ? 49.023 -3.217 -14.081 1.00 29.98 ? 29 PRO D HG2 1 ATOM 10729 H HG3 . PRO D 1 29 ? 49.842 -2.834 -12.762 1.00 29.98 ? 29 PRO D HG3 1 ATOM 10730 H HD2 . PRO D 1 29 ? 49.457 -5.401 -13.848 1.00 21.82 ? 29 PRO D HD2 1 ATOM 10731 H HD3 . PRO D 1 29 ? 50.801 -4.810 -13.202 1.00 21.82 ? 29 PRO D HD3 1 ATOM 10732 N N . LEU D 1 30 ? 46.538 -5.061 -9.722 1.00 12.87 ? 30 LEU D N 1 ATOM 10733 C CA . LEU D 1 30 ? 45.418 -5.789 -9.164 1.00 15.09 ? 30 LEU D CA 1 ATOM 10734 C C . LEU D 1 30 ? 44.091 -5.296 -9.699 1.00 13.01 ? 30 LEU D C 1 ATOM 10735 O O . LEU D 1 30 ? 43.787 -4.109 -9.601 1.00 15.44 ? 30 LEU D O 1 ATOM 10736 C CB . LEU D 1 30 ? 45.384 -5.629 -7.647 1.00 18.78 ? 30 LEU D CB 1 ATOM 10737 C CG . LEU D 1 30 ? 46.412 -6.379 -6.830 1.00 22.67 ? 30 LEU D CG 1 ATOM 10738 C CD1 . LEU D 1 30 ? 46.217 -6.029 -5.368 1.00 22.04 ? 30 LEU D CD1 1 ATOM 10739 C CD2 . LEU D 1 30 ? 46.229 -7.888 -7.065 1.00 25.56 ? 30 LEU D CD2 1 ATOM 10740 H H . LEU D 1 30 ? 46.735 -4.353 -9.276 1.00 15.43 ? 30 LEU D H 1 ATOM 10741 H HA . LEU D 1 30 ? 45.507 -6.742 -9.377 1.00 18.10 ? 30 LEU D HA 1 ATOM 10742 H HB2 . LEU D 1 30 ? 45.496 -4.687 -7.445 1.00 22.53 ? 30 LEU D HB2 1 ATOM 10743 H HB3 . LEU D 1 30 ? 44.512 -5.917 -7.337 1.00 22.53 ? 30 LEU D HB3 1 ATOM 10744 H HG . LEU D 1 30 ? 47.307 -6.121 -7.102 1.00 27.19 ? 30 LEU D HG 1 ATOM 10745 H HD11 . LEU D 1 30 ? 46.867 -6.503 -4.844 1.00 26.44 ? 30 LEU D HD11 1 ATOM 10746 H HD12 . LEU D 1 30 ? 46.332 -5.082 -5.256 1.00 26.44 ? 30 LEU D HD12 1 ATOM 10747 H HD13 . LEU D 1 30 ? 45.331 -6.285 -5.101 1.00 26.44 ? 30 LEU D HD13 1 ATOM 10748 H HD21 . LEU D 1 30 ? 46.881 -8.366 -6.546 1.00 30.66 ? 30 LEU D HD21 1 ATOM 10749 H HD22 . LEU D 1 30 ? 45.345 -8.142 -6.792 1.00 30.66 ? 30 LEU D HD22 1 ATOM 10750 H HD23 . LEU D 1 30 ? 46.351 -8.076 -7.998 1.00 30.66 ? 30 LEU D HD23 1 ATOM 10751 N N . GLN D 1 31 ? 43.311 -6.232 -10.217 1.00 11.80 ? 31 GLN D N 1 ATOM 10752 C CA . GLN D 1 31 ? 41.932 -5.973 -10.663 1.00 12.43 ? 31 GLN D CA 1 ATOM 10753 C C . GLN D 1 31 ? 40.938 -6.311 -9.549 1.00 10.97 ? 31 GLN D C 1 ATOM 10754 O O . GLN D 1 31 ? 39.945 -5.629 -9.413 1.00 12.63 ? 31 GLN D O 1 ATOM 10755 C CB . GLN D 1 31 ? 41.541 -6.805 -11.893 1.00 15.87 ? 31 GLN D CB 1 ATOM 10756 C CG . GLN D 1 31 ? 42.332 -6.469 -13.137 1.00 33.62 ? 31 GLN D CG 1 ATOM 10757 C CD . GLN D 1 31 ? 42.042 -7.429 -14.291 1.00 36.69 ? 31 GLN D CD 1 ATOM 10758 O OE1 . GLN D 1 31 ? 40.936 -7.982 -14.411 1.00 31.77 ? 31 GLN D OE1 1 ATOM 10759 N NE2 . GLN D 1 31 ? 43.049 -7.647 -15.138 1.00 44.55 ? 31 GLN D NE2 1 ATOM 10760 H H . GLN D 1 31 ? 43.556 -7.049 -10.327 1.00 14.14 ? 31 GLN D H 1 ATOM 10761 H HA . GLN D 1 31 ? 41.835 -5.024 -10.888 1.00 14.90 ? 31 GLN D HA 1 ATOM 10762 H HB2 . GLN D 1 31 ? 41.687 -7.743 -11.694 1.00 19.03 ? 31 GLN D HB2 1 ATOM 10763 H HB3 . GLN D 1 31 ? 40.603 -6.653 -12.088 1.00 19.03 ? 31 GLN D HB3 1 ATOM 10764 H HG2 . GLN D 1 31 ? 42.101 -5.572 -13.427 1.00 40.33 ? 31 GLN D HG2 1 ATOM 10765 H HG3 . GLN D 1 31 ? 43.279 -6.520 -12.934 1.00 40.33 ? 31 GLN D HG3 1 ATOM 10766 H HE21 . GLN D 1 31 ? 42.942 -8.178 -15.805 1.00 53.45 ? 31 GLN D HE21 1 ATOM 10767 H HE22 . GLN D 1 31 ? 43.805 -7.256 -15.016 1.00 53.45 ? 31 GLN D HE22 1 ATOM 10768 N N . ASN D 1 32 ? 41.236 -7.344 -8.776 1.00 10.47 ? 32 ASN D N 1 ATOM 10769 C CA . ASN D 1 32 ? 40.350 -7.862 -7.730 1.00 8.93 ? 32 ASN D CA 1 ATOM 10770 C C . ASN D 1 32 ? 41.188 -8.195 -6.527 1.00 10.31 ? 32 ASN D C 1 ATOM 10771 O O . ASN D 1 32 ? 42.311 -8.678 -6.664 1.00 12.78 ? 32 ASN D O 1 ATOM 10772 C CB . ASN D 1 32 ? 39.681 -9.169 -8.161 1.00 9.71 ? 32 ASN D CB 1 ATOM 10773 C CG . ASN D 1 32 ? 38.981 -9.068 -9.506 1.00 13.07 ? 32 ASN D CG 1 ATOM 10774 O OD1 . ASN D 1 32 ? 38.217 -8.135 -9.756 1.00 14.09 ? 32 ASN D OD1 1 ATOM 10775 N ND2 . ASN D 1 32 ? 39.258 -10.063 -10.378 1.00 17.68 ? 32 ASN D ND2 1 ATOM 10776 H H . ASN D 1 32 ? 41.974 -7.781 -8.837 1.00 12.55 ? 32 ASN D H 1 ATOM 10777 H HA . ASN D 1 32 ? 39.669 -7.201 -7.488 1.00 10.70 ? 32 ASN D HA 1 ATOM 10778 H HB2 . ASN D 1 32 ? 40.356 -9.862 -8.227 1.00 11.64 ? 32 ASN D HB2 1 ATOM 10779 H HB3 . ASN D 1 32 ? 39.018 -9.417 -7.497 1.00 11.64 ? 32 ASN D HB3 1 ATOM 10780 N N . PHE D 1 33 ? 40.646 -8.012 -5.322 1.00 8.79 ? 33 PHE D N 1 ATOM 10781 C CA . PHE D 1 33 ? 41.335 -8.507 -4.141 1.00 8.76 ? 33 PHE D CA 1 ATOM 10782 C C . PHE D 1 33 ? 40.357 -8.653 -2.980 1.00 6.99 ? 33 PHE D C 1 ATOM 10783 O O . PHE D 1 33 ? 39.270 -8.050 -2.973 1.00 8.26 ? 33 PHE D O 1 ATOM 10784 C CB . PHE D 1 33 ? 42.510 -7.595 -3.706 1.00 8.69 ? 33 PHE D CB 1 ATOM 10785 C CG . PHE D 1 33 ? 42.063 -6.291 -3.105 1.00 8.89 ? 33 PHE D CG 1 ATOM 10786 C CD1 . PHE D 1 33 ? 41.782 -6.199 -1.746 1.00 8.77 ? 33 PHE D CD1 1 ATOM 10787 C CD2 . PHE D 1 33 ? 41.937 -5.166 -3.894 1.00 9.29 ? 33 PHE D CD2 1 ATOM 10788 C CE1 . PHE D 1 33 ? 41.365 -5.016 -1.197 1.00 11.22 ? 33 PHE D CE1 1 ATOM 10789 C CE2 . PHE D 1 33 ? 41.512 -3.975 -3.338 1.00 8.73 ? 33 PHE D CE2 1 ATOM 10790 C CZ . PHE D 1 33 ? 41.211 -3.908 -1.995 1.00 10.79 ? 33 PHE D CZ 1 ATOM 10791 H H . PHE D 1 33 ? 39.900 -7.615 -5.167 1.00 10.54 ? 33 PHE D H 1 ATOM 10792 H HA . PHE D 1 33 ? 41.701 -9.394 -4.338 1.00 10.50 ? 33 PHE D HA 1 ATOM 10793 H HB2 . PHE D 1 33 ? 43.041 -8.062 -3.042 1.00 10.42 ? 33 PHE D HB2 1 ATOM 10794 H HB3 . PHE D 1 33 ? 43.055 -7.393 -4.482 1.00 10.42 ? 33 PHE D HB3 1 ATOM 10795 H HD1 . PHE D 1 33 ? 41.864 -6.953 -1.208 1.00 10.51 ? 33 PHE D HD1 1 ATOM 10796 H HD2 . PHE D 1 33 ? 42.118 -5.214 -4.805 1.00 11.14 ? 33 PHE D HD2 1 ATOM 10797 H HE1 . PHE D 1 33 ? 41.168 -4.967 -0.289 1.00 13.45 ? 33 PHE D HE1 1 ATOM 10798 H HE2 . PHE D 1 33 ? 41.417 -3.220 -3.873 1.00 10.47 ? 33 PHE D HE2 1 ATOM 10799 H HZ . PHE D 1 33 ? 40.944 -3.100 -1.619 1.00 12.94 ? 33 PHE D HZ 1 ATOM 10800 N N . THR D 1 34 ? 40.780 -9.460 -2.008 1.00 8.27 ? 34 THR D N 1 ATOM 10801 C CA . THR D 1 34 ? 40.173 -9.533 -0.694 1.00 7.79 ? 34 THR D CA 1 ATOM 10802 C C . THR D 1 34 ? 41.301 -9.480 0.331 1.00 8.44 ? 34 THR D C 1 ATOM 10803 O O . THR D 1 34 ? 42.338 -10.131 0.192 1.00 7.76 ? 34 THR D O 1 ATOM 10804 C CB . THR D 1 34 ? 39.363 -10.818 -0.506 1.00 6.71 ? 34 THR D CB 1 ATOM 10805 O OG1 . THR D 1 34 ? 38.377 -10.931 -1.523 1.00 9.48 ? 34 THR D OG1 1 ATOM 10806 C CG2 . THR D 1 34 ? 38.624 -10.789 0.792 1.00 8.95 ? 34 THR D CG2 1 ATOM 10807 H H . THR D 1 34 ? 41.448 -9.994 -2.097 1.00 9.91 ? 34 THR D H 1 ATOM 10808 H HA . THR D 1 34 ? 39.582 -8.763 -0.557 1.00 9.33 ? 34 THR D HA 1 ATOM 10809 H HB . THR D 1 34 ? 39.950 -11.590 -0.522 1.00 8.04 ? 34 THR D HB 1 ATOM 10810 H HG1 . THR D 1 34 ? 38.735 -10.949 -2.261 1.00 11.37 ? 34 THR D HG1 1 ATOM 10811 H HG21 . THR D 1 34 ? 38.120 -11.599 0.901 1.00 10.73 ? 34 THR D HG21 1 ATOM 10812 H HG22 . THR D 1 34 ? 39.244 -10.708 1.521 1.00 10.73 ? 34 THR D HG22 1 ATOM 10813 H HG23 . THR D 1 34 ? 38.022 -10.042 0.810 1.00 10.73 ? 34 THR D HG23 1 ATOM 10814 N N . LEU D 1 35 ? 41.092 -8.718 1.395 1.00 6.69 ? 35 LEU D N 1 ATOM 10815 C CA . LEU D 1 35 ? 42.011 -8.607 2.505 1.00 6.04 ? 35 LEU D CA 1 ATOM 10816 C C . LEU D 1 35 ? 41.257 -8.861 3.790 1.00 7.24 ? 35 LEU D C 1 ATOM 10817 O O . LEU D 1 35 ? 40.225 -8.257 4.037 1.00 8.63 ? 35 LEU D O 1 ATOM 10818 C CB . LEU D 1 35 ? 42.611 -7.191 2.542 1.00 9.12 ? 35 LEU D CB 1 ATOM 10819 C CG . LEU D 1 35 ? 43.406 -6.817 3.775 1.00 10.06 ? 35 LEU D CG 1 ATOM 10820 C CD1 . LEU D 1 35 ? 44.713 -7.562 3.839 1.00 11.36 ? 35 LEU D CD1 1 ATOM 10821 C CD2 . LEU D 1 35 ? 43.695 -5.317 3.801 1.00 12.06 ? 35 LEU D CD2 1 ATOM 10822 H H . LEU D 1 35 ? 40.388 -8.235 1.496 1.00 8.01 ? 35 LEU D H 1 ATOM 10823 H HA . LEU D 1 35 ? 42.733 -9.264 2.416 1.00 7.24 ? 35 LEU D HA 1 ATOM 10824 H HB2 . LEU D 1 35 ? 43.203 -7.093 1.780 1.00 10.93 ? 35 LEU D HB2 1 ATOM 10825 H HB3 . LEU D 1 35 ? 41.884 -6.553 2.466 1.00 10.93 ? 35 LEU D HB3 1 ATOM 10826 H HG . LEU D 1 35 ? 42.891 -7.040 4.567 1.00 12.06 ? 35 LEU D HG 1 ATOM 10827 H HD11 . LEU D 1 35 ? 45.185 -7.297 4.633 1.00 13.62 ? 35 LEU D HD11 1 ATOM 10828 H HD12 . LEU D 1 35 ? 44.534 -8.505 3.863 1.00 13.62 ? 35 LEU D HD12 1 ATOM 10829 H HD13 . LEU D 1 35 ? 45.233 -7.347 3.062 1.00 13.62 ? 35 LEU D HD13 1 ATOM 10830 H HD21 . LEU D 1 35 ? 44.198 -5.109 4.592 1.00 14.46 ? 35 LEU D HD21 1 ATOM 10831 H HD22 . LEU D 1 35 ? 44.201 -5.083 3.019 1.00 14.46 ? 35 LEU D HD22 1 ATOM 10832 H HD23 . LEU D 1 35 ? 42.863 -4.838 3.807 1.00 14.46 ? 35 LEU D HD23 1 ATOM 10833 N N . CYS D 1 36 ? 41.751 -9.770 4.608 1.00 8.03 ? 36 CYS D N 1 ATOM 10834 C CA . CYS D 1 36 ? 41.145 -10.079 5.908 1.00 8.91 ? 36 CYS D CA 1 ATOM 10835 C C . CYS D 1 36 ? 42.206 -10.025 6.980 1.00 8.17 ? 36 CYS D C 1 ATOM 10836 O O . CYS D 1 36 ? 43.383 -10.349 6.745 1.00 9.00 ? 36 CYS D O 1 ATOM 10837 C CB . CYS D 1 36 ? 40.500 -11.498 5.948 1.00 17.54 ? 36 CYS D CB 1 ATOM 10838 S SG . CYS D 1 36 ? 39.157 -11.870 4.770 1.00 15.38 ? 36 CYS D SG 1 ATOM 10839 H H . CYS D 1 36 ? 42.452 -10.238 4.437 1.00 9.62 ? 36 CYS D H 1 ATOM 10840 H HA . CYS D 1 36 ? 40.455 -9.415 6.116 1.00 10.68 ? 36 CYS D HA 1 ATOM 10841 H HB2 . CYS D 1 36 ? 41.201 -12.148 5.789 1.00 21.04 ? 36 CYS D HB2 1 ATOM 10842 H HB3 . CYS D 1 36 ? 40.139 -11.635 6.838 1.00 21.04 ? 36 CYS D HB3 1 ATOM 10843 N N . PHE D 1 37 ? 41.817 -9.622 8.197 1.00 7.19 ? 37 PHE D N 1 ATOM 10844 C CA . PHE D 1 37 ? 42.713 -9.630 9.335 1.00 7.55 ? 37 PHE D CA 1 ATOM 10845 C C . PHE D 1 37 ? 41.870 -9.416 10.608 1.00 7.45 ? 37 PHE D C 1 ATOM 10846 O O . PHE D 1 37 ? 40.708 -8.971 10.524 1.00 8.28 ? 37 PHE D O 1 ATOM 10847 C CB . PHE D 1 37 ? 43.807 -8.545 9.240 1.00 7.33 ? 37 PHE D CB 1 ATOM 10848 C CG . PHE D 1 37 ? 43.274 -7.162 8.996 1.00 8.15 ? 37 PHE D CG 1 ATOM 10849 C CD1 . PHE D 1 37 ? 43.008 -6.730 7.707 1.00 12.89 ? 37 PHE D CD1 1 ATOM 10850 C CD2 . PHE D 1 37 ? 42.993 -6.329 10.051 1.00 10.56 ? 37 PHE D CD2 1 ATOM 10851 C CE1 . PHE D 1 37 ? 42.480 -5.439 7.460 1.00 11.82 ? 37 PHE D CE1 1 ATOM 10852 C CE2 . PHE D 1 37 ? 42.467 -5.042 9.803 1.00 12.82 ? 37 PHE D CE2 1 ATOM 10853 C CZ . PHE D 1 37 ? 42.229 -4.621 8.531 1.00 11.46 ? 37 PHE D CZ 1 ATOM 10854 H H . PHE D 1 37 ? 41.026 -9.338 8.380 1.00 8.61 ? 37 PHE D H 1 ATOM 10855 H HA . PHE D 1 37 ? 43.151 -10.504 9.398 1.00 9.05 ? 37 PHE D HA 1 ATOM 10856 H HB2 . PHE D 1 37 ? 44.303 -8.528 10.074 1.00 8.79 ? 37 PHE D HB2 1 ATOM 10857 H HB3 . PHE D 1 37 ? 44.403 -8.766 8.508 1.00 8.79 ? 37 PHE D HB3 1 ATOM 10858 H HD1 . PHE D 1 37 ? 43.187 -7.295 6.990 1.00 15.45 ? 37 PHE D HD1 1 ATOM 10859 H HD2 . PHE D 1 37 ? 43.156 -6.607 10.923 1.00 12.66 ? 37 PHE D HD2 1 ATOM 10860 H HE1 . PHE D 1 37 ? 42.318 -5.150 6.591 1.00 14.17 ? 37 PHE D HE1 1 ATOM 10861 H HE2 . PHE D 1 37 ? 42.290 -4.472 10.516 1.00 15.38 ? 37 PHE D HE2 1 ATOM 10862 H HZ . PHE D 1 37 ? 41.884 -3.770 8.387 1.00 13.73 ? 37 PHE D HZ 1 ATOM 10863 N N . ARG D 1 38 ? 42.474 -9.674 11.755 1.00 7.30 ? 38 ARG D N 1 ATOM 10864 C CA . ARG D 1 38 ? 41.871 -9.408 13.063 1.00 7.80 ? 38 ARG D CA 1 ATOM 10865 C C . ARG D 1 38 ? 42.632 -8.295 13.725 1.00 7.53 ? 38 ARG D C 1 ATOM 10866 O O . ARG D 1 38 ? 43.851 -8.224 13.640 1.00 8.93 ? 38 ARG D O 1 ATOM 10867 C CB . ARG D 1 38 ? 42.029 -10.616 13.982 1.00 14.68 ? 38 ARG D CB 1 ATOM 10868 C CG . ARG D 1 38 ? 41.064 -11.636 13.798 1.00 23.43 ? 38 ARG D CG 1 ATOM 10869 C CD . ARG D 1 38 ? 41.286 -12.797 14.792 1.00 17.94 ? 38 ARG D CD 1 ATOM 10870 N NE . ARG D 1 38 ? 41.067 -13.977 14.007 1.00 14.90 ? 38 ARG D NE 1 ATOM 10871 C CZ . ARG D 1 38 ? 39.877 -14.441 13.671 1.00 15.01 ? 38 ARG D CZ 1 ATOM 10872 N NH1 . ARG D 1 38 ? 38.756 -13.867 14.131 1.00 14.11 ? 38 ARG D NH1 1 ATOM 10873 N NH2 . ARG D 1 38 ? 39.820 -15.502 12.889 1.00 24.52 ? 38 ARG D NH2 1 ATOM 10874 H H . ARG D 1 38 ? 43.262 -10.016 11.810 1.00 8.74 ? 38 ARG D H 1 ATOM 10875 H HA . ARG D 1 38 ? 40.924 -9.168 12.977 1.00 9.35 ? 38 ARG D HA 1 ATOM 10876 H HB2 . ARG D 1 38 ? 42.903 -11.008 13.828 1.00 17.60 ? 38 ARG D HB2 1 ATOM 10877 H HB3 . ARG D 1 38 ? 41.966 -10.314 14.901 1.00 17.60 ? 38 ARG D HB3 1 ATOM 10878 H HG2 . ARG D 1 38 ? 40.178 -11.270 13.948 1.00 28.11 ? 38 ARG D HG2 1 ATOM 10879 H HG3 . ARG D 1 38 ? 41.136 -11.987 12.897 1.00 28.11 ? 38 ARG D HG3 1 ATOM 10880 H HD2 . ARG D 1 38 ? 42.196 -12.792 15.126 1.00 21.52 ? 38 ARG D HD2 1 ATOM 10881 H HD3 . ARG D 1 38 ? 40.637 -12.759 15.512 1.00 21.52 ? 38 ARG D HD3 1 ATOM 10882 H HE . ARG D 1 38 ? 41.846 -14.467 13.701 1.00 17.87 ? 38 ARG D HE 1 ATOM 10883 H HH11 . ARG D 1 38 ? 38.805 -13.166 14.628 1.00 16.92 ? 38 ARG D HH11 1 ATOM 10884 H HH12 . ARG D 1 38 ? 37.988 -14.188 13.914 1.00 16.92 ? 38 ARG D HH12 1 ATOM 10885 H HH21 . ARG D 1 38 ? 40.545 -15.874 12.615 1.00 29.41 ? 38 ARG D HH21 1 ATOM 10886 H HH22 . ARG D 1 38 ? 39.058 -15.844 12.683 1.00 29.41 ? 38 ARG D HH22 1 ATOM 10887 N N . ALA D 1 39 ? 41.927 -7.418 14.439 1.00 7.90 ? 39 ALA D N 1 ATOM 10888 C CA . ALA D 1 39 ? 42.579 -6.309 15.106 1.00 7.54 ? 39 ALA D CA 1 ATOM 10889 C C . ALA D 1 39 ? 41.939 -6.076 16.466 1.00 7.38 ? 39 ALA D C 1 ATOM 10890 O O . ALA D 1 39 ? 40.753 -6.328 16.653 1.00 8.52 ? 39 ALA D O 1 ATOM 10891 C CB . ALA D 1 39 ? 42.496 -5.038 14.298 1.00 8.12 ? 39 ALA D CB 1 ATOM 10892 H H . ALA D 1 39 ? 41.074 -7.447 14.548 1.00 9.47 ? 39 ALA D H 1 ATOM 10893 H HA . ALA D 1 39 ? 43.525 -6.525 15.244 1.00 9.04 ? 39 ALA D HA 1 ATOM 10894 H HB1 . ALA D 1 39 ? 42.940 -4.334 14.778 1.00 9.73 ? 39 ALA D HB1 1 ATOM 10895 H HB2 . ALA D 1 39 ? 42.925 -5.178 13.451 1.00 9.73 ? 39 ALA D HB2 1 ATOM 10896 H HB3 . ALA D 1 39 ? 41.573 -4.813 14.165 1.00 9.73 ? 39 ALA D HB3 1 ATOM 10897 N N . TYR D 1 40 ? 42.729 -5.543 17.387 1.00 6.84 ? 40 TYR D N 1 ATOM 10898 C CA . TYR D 1 40 ? 42.247 -5.193 18.727 1.00 6.58 ? 40 TYR D CA 1 ATOM 10899 C C . TYR D 1 40 ? 42.967 -3.936 19.176 1.00 6.13 ? 40 TYR D C 1 ATOM 10900 O O . TYR D 1 40 ? 44.178 -3.927 19.390 1.00 7.24 ? 40 TYR D O 1 ATOM 10901 C CB . TYR D 1 40 ? 42.515 -6.355 19.684 1.00 5.95 ? 40 TYR D CB 1 ATOM 10902 C CG . TYR D 1 40 ? 41.905 -6.262 21.082 1.00 6.15 ? 40 TYR D CG 1 ATOM 10903 C CD1 . TYR D 1 40 ? 40.790 -5.493 21.356 1.00 6.39 ? 40 TYR D CD1 1 ATOM 10904 C CD2 . TYR D 1 40 ? 42.455 -7.029 22.116 1.00 6.89 ? 40 TYR D CD2 1 ATOM 10905 C CE1 . TYR D 1 40 ? 40.252 -5.477 22.617 1.00 6.65 ? 40 TYR D CE1 1 ATOM 10906 C CE2 . TYR D 1 40 ? 41.907 -7.017 23.379 1.00 7.18 ? 40 TYR D CE2 1 ATOM 10907 C CZ . TYR D 1 40 ? 40.817 -6.237 23.614 1.00 7.22 ? 40 TYR D CZ 1 ATOM 10908 O OH . TYR D 1 40 ? 40.259 -6.217 24.877 1.00 8.09 ? 40 TYR D OH 1 ATOM 10909 H H . TYR D 1 40 ? 43.562 -5.368 17.263 1.00 8.19 ? 40 TYR D H 1 ATOM 10910 H HA . TYR D 1 40 ? 41.284 -5.017 18.701 1.00 7.88 ? 40 TYR D HA 1 ATOM 10911 H HB2 . TYR D 1 40 ? 42.172 -7.166 19.276 1.00 7.12 ? 40 TYR D HB2 1 ATOM 10912 H HB3 . TYR D 1 40 ? 43.475 -6.436 19.797 1.00 7.12 ? 40 TYR D HB3 1 ATOM 10913 H HD1 . TYR D 1 40 ? 40.402 -4.985 20.681 1.00 7.65 ? 40 TYR D HD1 1 ATOM 10914 H HD2 . TYR D 1 40 ? 43.194 -7.566 21.943 1.00 8.25 ? 40 TYR D HD2 1 ATOM 10915 H HE1 . TYR D 1 40 ? 39.505 -4.953 22.797 1.00 7.97 ? 40 TYR D HE1 1 ATOM 10916 H HE2 . TYR D 1 40 ? 42.282 -7.524 24.062 1.00 8.60 ? 40 TYR D HE2 1 ATOM 10917 H HH . TYR D 1 40 ? 40.808 -5.947 25.423 1.00 9.70 ? 40 TYR D HH 1 ATOM 10918 N N . SER D 1 41 ? 42.193 -2.845 19.269 1.00 5.98 ? 41 SER D N 1 ATOM 10919 C CA . SER D 1 41 ? 42.734 -1.544 19.625 1.00 6.13 ? 41 SER D CA 1 ATOM 10920 C C . SER D 1 41 ? 41.756 -0.826 20.494 1.00 8.23 ? 41 SER D C 1 ATOM 10921 O O . SER D 1 41 ? 40.548 -0.956 20.282 1.00 10.90 ? 41 SER D O 1 ATOM 10922 C CB . SER D 1 41 ? 42.950 -0.713 18.367 1.00 7.24 ? 41 SER D CB 1 ATOM 10923 O OG . SER D 1 41 ? 43.412 0.626 18.625 1.00 7.93 ? 41 SER D OG 1 ATOM 10924 H H . SER D 1 41 ? 41.345 -2.841 19.127 1.00 7.17 ? 41 SER D H 1 ATOM 10925 H HA . SER D 1 41 ? 43.584 -1.643 20.103 1.00 7.34 ? 41 SER D HA 1 ATOM 10926 H HB2 . SER D 1 41 ? 43.608 -1.162 17.814 1.00 8.68 ? 41 SER D HB2 1 ATOM 10927 H HB3 . SER D 1 41 ? 42.108 -0.659 17.888 1.00 8.68 ? 41 SER D HB3 1 ATOM 10928 H HG . SER D 1 41 ? 43.492 0.744 19.432 1.00 9.51 ? 41 SER D HG 1 ATOM 10929 N N . ASP D 1 42 ? 42.251 -0.026 21.418 1.00 6.07 ? 42 ASP D N 1 ATOM 10930 C CA . ASP D 1 42 ? 41.370 0.844 22.169 1.00 6.93 ? 42 ASP D CA 1 ATOM 10931 C C . ASP D 1 42 ? 41.576 2.321 21.865 1.00 7.30 ? 42 ASP D C 1 ATOM 10932 O O . ASP D 1 42 ? 41.166 3.188 22.650 1.00 10.06 ? 42 ASP D O 1 ATOM 10933 C CB . ASP D 1 42 ? 41.368 0.532 23.674 1.00 7.52 ? 42 ASP D CB 1 ATOM 10934 C CG . ASP D 1 42 ? 42.719 0.656 24.338 1.00 8.40 ? 42 ASP D CG 1 ATOM 10935 O OD1 . ASP D 1 42 ? 43.608 1.335 23.800 1.00 9.92 ? 42 ASP D OD1 1 ATOM 10936 O OD2 . ASP D 1 42 ? 42.896 0.090 25.443 1.00 8.38 ? 42 ASP D OD2 1 ATOM 10937 H H . ASP D 1 42 ? 43.083 0.033 21.628 1.00 7.27 ? 42 ASP D H 1 ATOM 10938 H HA . ASP D 1 42 ? 40.461 0.643 21.863 1.00 8.30 ? 42 ASP D HA 1 ATOM 10939 H HB2 . ASP D 1 42 ? 40.764 1.147 24.118 1.00 9.01 ? 42 ASP D HB2 1 ATOM 10940 H HB3 . ASP D 1 42 ? 41.059 -0.379 23.802 1.00 9.01 ? 42 ASP D HB3 1 ATOM 10941 N N . LEU D 1 43 ? 42.095 2.616 20.711 1.00 7.03 ? 43 LEU D N 1 ATOM 10942 C CA . LEU D 1 43 ? 42.101 4.000 20.220 1.00 7.14 ? 43 LEU D CA 1 ATOM 10943 C C . LEU D 1 43 ? 40.697 4.443 19.820 1.00 8.58 ? 43 LEU D C 1 ATOM 10944 O O . LEU D 1 43 ? 39.961 3.712 19.191 1.00 10.00 ? 43 LEU D O 1 ATOM 10945 C CB . LEU D 1 43 ? 42.983 4.135 18.979 1.00 8.52 ? 43 LEU D CB 1 ATOM 10946 C CG . LEU D 1 43 ? 44.481 3.974 19.139 1.00 8.08 ? 43 LEU D CG 1 ATOM 10947 C CD1 . LEU D 1 43 ? 45.156 3.892 17.781 1.00 9.45 ? 43 LEU D CD1 1 ATOM 10948 C CD2 . LEU D 1 43 ? 45.054 5.156 19.968 1.00 9.63 ? 43 LEU D CD2 1 ATOM 10949 H H . LEU D 1 43 ? 42.457 2.047 20.177 1.00 8.42 ? 43 LEU D H 1 ATOM 10950 H HA . LEU D 1 43 ? 42.437 4.601 20.917 1.00 8.56 ? 43 LEU D HA 1 ATOM 10951 H HB2 . LEU D 1 43 ? 42.696 3.466 18.337 1.00 10.21 ? 43 LEU D HB2 1 ATOM 10952 H HB3 . LEU D 1 43 ? 42.834 5.016 18.604 1.00 10.21 ? 43 LEU D HB3 1 ATOM 10953 H HG . LEU D 1 43 ? 44.664 3.151 19.619 1.00 9.68 ? 43 LEU D HG 1 ATOM 10954 H HD11 . LEU D 1 43 ? 46.102 3.791 17.909 1.00 11.33 ? 43 LEU D HD11 1 ATOM 10955 H HD12 . LEU D 1 43 ? 44.806 3.136 17.304 1.00 11.33 ? 43 LEU D HD12 1 ATOM 10956 H HD13 . LEU D 1 43 ? 44.975 4.699 17.294 1.00 11.33 ? 43 LEU D HD13 1 ATOM 10957 H HD21 . LEU D 1 43 ? 46.003 5.041 20.061 1.00 11.54 ? 43 LEU D HD21 1 ATOM 10958 H HD22 . LEU D 1 43 ? 44.867 5.978 19.509 1.00 11.54 ? 43 LEU D HD22 1 ATOM 10959 H HD23 . LEU D 1 43 ? 44.638 5.161 20.833 1.00 11.54 ? 43 LEU D HD23 1 ATOM 10960 N N . SER D 1 44 ? 40.363 5.689 20.154 1.00 11.93 ? 44 SER D N 1 ATOM 10961 C CA A SER D 1 44 ? 39.124 6.328 19.667 0.63 11.86 ? 44 SER D CA 1 ATOM 10962 C CA B SER D 1 44 ? 39.116 6.272 19.637 0.37 10.90 ? 44 SER D CA 1 ATOM 10963 C C . SER D 1 44 ? 39.367 7.240 18.479 1.00 10.66 ? 44 SER D C 1 ATOM 10964 O O . SER D 1 44 ? 38.466 7.503 17.695 1.00 13.40 ? 44 SER D O 1 ATOM 10965 C CB A SER D 1 44 ? 38.487 7.172 20.780 0.63 13.88 ? 44 SER D CB 1 ATOM 10966 C CB B SER D 1 44 ? 38.314 6.959 20.753 0.37 14.19 ? 44 SER D CB 1 ATOM 10967 O OG A SER D 1 44 ? 38.058 6.342 21.828 0.63 13.32 ? 44 SER D OG 1 ATOM 10968 O OG B SER D 1 44 ? 39.152 7.749 21.567 0.37 17.10 ? 44 SER D OG 1 ATOM 10969 H H A SER D 1 44 ? 40.836 6.194 20.664 0.63 14.30 ? 44 SER D H 1 ATOM 10970 H H B SER D 1 44 ? 40.823 6.207 20.662 0.37 14.30 ? 44 SER D H 1 ATOM 10971 H HA A SER D 1 44 ? 38.484 5.636 19.400 0.63 14.22 ? 44 SER D HA 1 ATOM 10972 H HA B SER D 1 44 ? 38.560 5.543 19.289 0.37 13.06 ? 44 SER D HA 1 ATOM 10973 H HB2 A SER D 1 44 ? 39.144 7.800 21.120 0.63 16.64 ? 44 SER D HB2 1 ATOM 10974 H HB2 B SER D 1 44 ? 37.638 7.527 20.352 0.37 17.02 ? 44 SER D HB2 1 ATOM 10975 H HB3 A SER D 1 44 ? 37.724 7.650 20.420 0.63 16.64 ? 44 SER D HB3 1 ATOM 10976 H HB3 B SER D 1 44 ? 37.891 6.280 21.302 0.37 17.02 ? 44 SER D HB3 1 ATOM 10977 H HG A SER D 1 44 ? 38.227 5.559 21.652 0.63 15.98 ? 44 SER D HG 1 ATOM 10978 H HG B SER D 1 44 ? 39.926 7.703 21.300 0.37 20.50 ? 44 SER D HG 1 ATOM 10979 N N . ARG D 1 45 ? 40.569 7.759 18.369 1.00 10.24 ? 45 ARG D N 1 ATOM 10980 C CA . ARG D 1 45 ? 40.923 8.589 17.219 1.00 9.69 ? 45 ARG D CA 1 ATOM 10981 C C . ARG D 1 45 ? 41.024 7.739 15.958 1.00 10.93 ? 45 ARG D C 1 ATOM 10982 O O . ARG D 1 45 ? 41.013 6.517 16.037 1.00 11.42 ? 45 ARG D O 1 ATOM 10983 C CB . ARG D 1 45 ? 42.225 9.322 17.467 1.00 9.69 ? 45 ARG D CB 1 ATOM 10984 C CG . ARG D 1 45 ? 43.457 8.432 17.570 1.00 11.01 ? 45 ARG D CG 1 ATOM 10985 C CD . ARG D 1 45 ? 44.765 9.178 17.280 1.00 11.28 ? 45 ARG D CD 1 ATOM 10986 N NE . ARG D 1 45 ? 45.945 8.443 17.700 1.00 11.65 ? 45 ARG D NE 1 ATOM 10987 C CZ . ARG D 1 45 ? 46.524 7.464 17.000 1.00 9.57 ? 45 ARG D CZ 1 ATOM 10988 N NH1 . ARG D 1 45 ? 46.015 7.093 15.831 1.00 9.35 ? 45 ARG D NH1 1 ATOM 10989 N NH2 . ARG D 1 45 ? 47.565 6.845 17.526 1.00 10.62 ? 45 ARG D NH2 1 ATOM 10990 H H . ARG D 1 45 ? 41.203 7.652 18.940 1.00 12.27 ? 45 ARG D H 1 ATOM 10991 H HA . ARG D 1 45 ? 40.220 9.257 17.079 1.00 11.61 ? 45 ARG D HA 1 ATOM 10992 H HB2 . ARG D 1 45 ? 42.373 9.943 16.737 1.00 11.62 ? 45 ARG D HB2 1 ATOM 10993 H HB3 . ARG D 1 45 ? 42.148 9.813 18.300 1.00 11.62 ? 45 ARG D HB3 1 ATOM 10994 H HG2 . ARG D 1 45 ? 43.511 8.072 18.469 1.00 13.20 ? 45 ARG D HG2 1 ATOM 10995 H HG3 . ARG D 1 45 ? 43.377 7.709 16.928 1.00 13.20 ? 45 ARG D HG3 1 ATOM 10996 H HD2 . ARG D 1 45 ? 44.834 9.334 16.325 1.00 13.53 ? 45 ARG D HD2 1 ATOM 10997 H HD3 . ARG D 1 45 ? 44.757 10.025 17.754 1.00 13.53 ? 45 ARG D HD3 1 ATOM 10998 H HE . ARG D 1 45 ? 46.343 8.680 18.552 1.00 13.97 ? 45 ARG D HE 1 ATOM 10999 H HH11 . ARG D 1 45 ? 45.325 7.498 15.515 1.00 11.21 ? 45 ARG D HH11 1 ATOM 11000 H HH12 . ARG D 1 45 ? 46.386 6.461 15.381 1.00 11.21 ? 45 ARG D HH12 1 ATOM 11001 H HH21 . ARG D 1 45 ? 47.879 7.101 18.284 1.00 12.74 ? 45 ARG D HH21 1 ATOM 11002 H HH22 . ARG D 1 45 ? 47.958 6.218 17.087 1.00 12.74 ? 45 ARG D HH22 1 ATOM 11003 N N . ALA D 1 46 ? 41.114 8.385 14.804 1.00 10.83 ? 46 ALA D N 1 ATOM 11004 C CA . ALA D 1 46 ? 41.280 7.664 13.540 1.00 10.38 ? 46 ALA D CA 1 ATOM 11005 C C . ALA D 1 46 ? 42.649 6.998 13.474 1.00 10.76 ? 46 ALA D C 1 ATOM 11006 O O . ALA D 1 46 ? 43.624 7.444 14.098 1.00 11.20 ? 46 ALA D O 1 ATOM 11007 C CB . ALA D 1 46 ? 41.116 8.619 12.345 1.00 14.57 ? 46 ALA D CB 1 ATOM 11008 H H . ALA D 1 46 ? 41.082 9.241 14.721 1.00 12.98 ? 46 ALA D H 1 ATOM 11009 H HA . ALA D 1 46 ? 40.595 6.967 13.473 1.00 12.44 ? 46 ALA D HA 1 ATOM 11010 H HB1 . ALA D 1 46 ? 41.230 8.123 11.531 1.00 17.47 ? 46 ALA D HB1 1 ATOM 11011 H HB2 . ALA D 1 46 ? 40.238 9.007 12.373 1.00 17.47 ? 46 ALA D HB2 1 ATOM 11012 H HB3 . ALA D 1 46 ? 41.781 9.309 12.403 1.00 17.47 ? 46 ALA D HB3 1 ATOM 11013 N N . TYR D 1 47 ? 42.727 5.922 12.702 1.00 8.73 ? 47 TYR D N 1 ATOM 11014 C CA . TYR D 1 47 ? 43.978 5.257 12.434 1.00 8.51 ? 47 TYR D CA 1 ATOM 11015 C C . TYR D 1 47 ? 43.927 4.406 11.201 1.00 9.32 ? 47 TYR D C 1 ATOM 11016 O O . TYR D 1 47 ? 42.868 3.964 10.767 1.00 8.83 ? 47 TYR D O 1 ATOM 11017 C CB . TYR D 1 47 ? 44.368 4.382 13.619 1.00 10.28 ? 47 TYR D CB 1 ATOM 11018 C CG . TYR D 1 47 ? 43.316 3.417 14.137 1.00 8.86 ? 47 TYR D CG 1 ATOM 11019 C CD1 . TYR D 1 47 ? 43.189 2.118 13.608 1.00 8.39 ? 47 TYR D CD1 1 ATOM 11020 C CD2 . TYR D 1 47 ? 42.484 3.756 15.201 1.00 7.78 ? 47 TYR D CD2 1 ATOM 11021 C CE1 . TYR D 1 47 ? 42.270 1.229 14.128 1.00 8.67 ? 47 TYR D CE1 1 ATOM 11022 C CE2 . TYR D 1 47 ? 41.547 2.864 15.717 1.00 8.94 ? 47 TYR D CE2 1 ATOM 11023 C CZ . TYR D 1 47 ? 41.468 1.576 15.170 1.00 8.75 ? 47 TYR D CZ 1 ATOM 11024 O OH . TYR D 1 47 ? 40.573 0.666 15.676 1.00 10.30 ? 47 TYR D OH 1 ATOM 11025 H H . TYR D 1 47 ? 42.050 5.556 12.317 1.00 10.47 ? 47 TYR D H 1 ATOM 11026 H HA . TYR D 1 47 ? 44.679 5.931 12.310 1.00 10.20 ? 47 TYR D HA 1 ATOM 11027 H HB2 . TYR D 1 47 ? 45.140 3.853 13.362 1.00 12.33 ? 47 TYR D HB2 1 ATOM 11028 H HB3 . TYR D 1 47 ? 44.610 4.963 14.356 1.00 12.33 ? 47 TYR D HB3 1 ATOM 11029 H HD1 . TYR D 1 47 ? 43.745 1.849 12.912 1.00 10.05 ? 47 TYR D HD1 1 ATOM 11030 H HD2 . TYR D 1 47 ? 42.555 4.604 15.577 1.00 9.33 ? 47 TYR D HD2 1 ATOM 11031 H HE1 . TYR D 1 47 ? 42.207 0.374 13.768 1.00 10.39 ? 47 TYR D HE1 1 ATOM 11032 H HE2 . TYR D 1 47 ? 41.007 3.107 16.433 1.00 10.71 ? 47 TYR D HE2 1 ATOM 11033 H HH . TYR D 1 47 ? 39.809 0.957 15.609 1.00 12.35 ? 47 TYR D HH 1 ATOM 11034 N N . SER D 1 48 ? 45.089 4.190 10.629 1.00 8.86 ? 48 SER D N 1 ATOM 11035 C CA . SER D 1 48 ? 45.260 3.294 9.506 1.00 7.15 ? 48 SER D CA 1 ATOM 11036 C C . SER D 1 48 ? 45.388 1.855 9.961 1.00 9.02 ? 48 SER D C 1 ATOM 11037 O O . SER D 1 48 ? 46.168 1.549 10.841 1.00 9.31 ? 48 SER D O 1 ATOM 11038 C CB . SER D 1 48 ? 46.522 3.667 8.711 1.00 8.87 ? 48 SER D CB 1 ATOM 11039 O OG . SER D 1 48 ? 46.700 2.823 7.602 1.00 10.04 ? 48 SER D OG 1 ATOM 11040 H H . SER D 1 48 ? 45.821 4.564 10.882 1.00 10.62 ? 48 SER D H 1 ATOM 11041 H HA . SER D 1 48 ? 44.485 3.364 8.910 1.00 8.56 ? 48 SER D HA 1 ATOM 11042 H HB2 . SER D 1 48 ? 46.438 4.582 8.400 1.00 10.63 ? 48 SER D HB2 1 ATOM 11043 H HB3 . SER D 1 48 ? 47.294 3.587 9.294 1.00 10.63 ? 48 SER D HB3 1 ATOM 11044 H HG . SER D 1 48 ? 47.378 3.038 7.192 1.00 12.04 ? 48 SER D HG 1 ATOM 11045 N N . LEU D 1 49 ? 44.638 0.980 9.316 1.00 7.68 ? 49 LEU D N 1 ATOM 11046 C CA . LEU D 1 49 ? 44.805 -0.468 9.505 1.00 7.43 ? 49 LEU D CA 1 ATOM 11047 C C . LEU D 1 49 ? 45.749 -1.137 8.509 1.00 8.31 ? 49 LEU D C 1 ATOM 11048 O O . LEU D 1 49 ? 46.483 -2.071 8.874 1.00 8.22 ? 49 LEU D O 1 ATOM 11049 C CB . LEU D 1 49 ? 43.424 -1.132 9.458 1.00 7.66 ? 49 LEU D CB 1 ATOM 11050 C CG . LEU D 1 49 ? 42.559 -0.873 10.708 1.00 10.00 ? 49 LEU D CG 1 ATOM 11051 C CD1 . LEU D 1 49 ? 41.107 -1.162 10.468 1.00 13.14 ? 49 LEU D CD1 1 ATOM 11052 C CD2 . LEU D 1 49 ? 43.100 -1.678 11.863 1.00 12.83 ? 49 LEU D CD2 1 ATOM 11053 H H . LEU D 1 49 ? 44.019 1.191 8.758 1.00 9.21 ? 49 LEU D H 1 ATOM 11054 H HA . LEU D 1 49 ? 45.173 -0.621 10.401 1.00 8.90 ? 49 LEU D HA 1 ATOM 11055 H HB2 . LEU D 1 49 ? 42.941 -0.792 8.688 1.00 9.19 ? 49 LEU D HB2 1 ATOM 11056 H HB3 . LEU D 1 49 ? 43.542 -2.091 9.374 1.00 9.19 ? 49 LEU D HB3 1 ATOM 11057 H HG . LEU D 1 49 ? 42.635 0.065 10.945 1.00 11.98 ? 49 LEU D HG 1 ATOM 11058 H HD11 . LEU D 1 49 ? 40.616 -0.984 11.275 1.00 15.75 ? 49 LEU D HD11 1 ATOM 11059 H HD12 . LEU D 1 49 ? 40.789 -0.597 9.760 1.00 15.75 ? 49 LEU D HD12 1 ATOM 11060 H HD13 . LEU D 1 49 ? 41.009 -2.084 10.221 1.00 15.75 ? 49 LEU D HD13 1 ATOM 11061 H HD21 . LEU D 1 49 ? 42.559 -1.513 12.639 1.00 15.38 ? 49 LEU D HD21 1 ATOM 11062 H HD22 . LEU D 1 49 ? 43.071 -2.610 11.635 1.00 15.38 ? 49 LEU D HD22 1 ATOM 11063 H HD23 . LEU D 1 49 ? 44.007 -1.410 12.033 1.00 15.38 ? 49 LEU D HD23 1 ATOM 11064 N N . PHE D 1 50 ? 45.706 -0.708 7.246 1.00 7.49 ? 50 PHE D N 1 ATOM 11065 C CA . PHE D 1 50 ? 46.516 -1.349 6.198 1.00 6.23 ? 50 PHE D CA 1 ATOM 11066 C C . PHE D 1 50 ? 46.782 -0.328 5.141 1.00 6.18 ? 50 PHE D C 1 ATOM 11067 O O . PHE D 1 50 ? 45.843 0.183 4.541 1.00 7.75 ? 50 PHE D O 1 ATOM 11068 C CB . PHE D 1 50 ? 45.764 -2.541 5.612 1.00 7.09 ? 50 PHE D CB 1 ATOM 11069 C CG . PHE D 1 50 ? 46.477 -3.302 4.511 1.00 6.80 ? 50 PHE D CG 1 ATOM 11070 C CD1 . PHE D 1 50 ? 47.172 -4.443 4.829 1.00 9.17 ? 50 PHE D CD1 1 ATOM 11071 C CD2 . PHE D 1 50 ? 46.352 -2.948 3.180 1.00 7.98 ? 50 PHE D CD2 1 ATOM 11072 C CE1 . PHE D 1 50 ? 47.779 -5.213 3.831 1.00 9.36 ? 50 PHE D CE1 1 ATOM 11073 C CE2 . PHE D 1 50 ? 46.946 -3.712 2.188 1.00 8.57 ? 50 PHE D CE2 1 ATOM 11074 C CZ . PHE D 1 50 ? 47.651 -4.843 2.529 1.00 9.09 ? 50 PHE D CZ 1 ATOM 11075 H H . PHE D 1 50 ? 45.221 -0.054 6.968 1.00 8.97 ? 50 PHE D H 1 ATOM 11076 H HA . PHE D 1 50 ? 47.368 -1.657 6.571 1.00 7.47 ? 50 PHE D HA 1 ATOM 11077 H HB2 . PHE D 1 50 ? 45.584 -3.170 6.329 1.00 8.50 ? 50 PHE D HB2 1 ATOM 11078 H HB3 . PHE D 1 50 ? 44.924 -2.222 5.246 1.00 8.50 ? 50 PHE D HB3 1 ATOM 11079 H HD1 . PHE D 1 50 ? 47.241 -4.707 5.718 1.00 10.99 ? 50 PHE D HD1 1 ATOM 11080 H HD2 . PHE D 1 50 ? 45.858 -2.195 2.948 1.00 9.56 ? 50 PHE D HD2 1 ATOM 11081 H HE1 . PHE D 1 50 ? 48.265 -5.973 4.057 1.00 11.22 ? 50 PHE D HE1 1 ATOM 11082 H HE2 . PHE D 1 50 ? 46.876 -3.455 1.297 1.00 10.28 ? 50 PHE D HE2 1 ATOM 11083 H HZ . PHE D 1 50 ? 48.075 -5.338 1.866 1.00 10.90 ? 50 PHE D HZ 1 ATOM 11084 N N . SER D 1 51 ? 48.055 -0.009 4.961 1.00 7.82 ? 51 SER D N 1 ATOM 11085 C CA . SER D 1 51 ? 48.491 1.080 4.066 1.00 8.66 ? 51 SER D CA 1 ATOM 11086 C C . SER D 1 51 ? 49.334 0.558 2.903 1.00 7.11 ? 51 SER D C 1 ATOM 11087 O O . SER D 1 51 ? 50.380 -0.013 3.127 1.00 8.35 ? 51 SER D O 1 ATOM 11088 C CB . SER D 1 51 ? 49.270 2.111 4.902 1.00 7.71 ? 51 SER D CB 1 ATOM 11089 O OG . SER D 1 51 ? 49.897 3.101 4.083 1.00 8.46 ? 51 SER D OG 1 ATOM 11090 H H . SER D 1 51 ? 48.708 -0.413 5.351 1.00 9.37 ? 51 SER D H 1 ATOM 11091 H HA . SER D 1 51 ? 47.700 1.524 3.694 1.00 10.38 ? 51 SER D HA 1 ATOM 11092 H HB2 . SER D 1 51 ? 48.654 2.552 5.508 1.00 9.24 ? 51 SER D HB2 1 ATOM 11093 H HB3 . SER D 1 51 ? 49.954 1.647 5.411 1.00 9.24 ? 51 SER D HB3 1 ATOM 11094 H HG . SER D 1 51 ? 49.736 2.954 3.293 1.00 10.14 ? 51 SER D HG 1 ATOM 11095 N N . TYR D 1 52 ? 48.817 0.695 1.690 1.00 7.55 ? 52 TYR D N 1 ATOM 11096 C CA . TYR D 1 52 ? 49.491 0.236 0.460 1.00 8.24 ? 52 TYR D CA 1 ATOM 11097 C C . TYR D 1 52 ? 49.630 1.436 -0.476 1.00 7.34 ? 52 TYR D C 1 ATOM 11098 O O . TYR D 1 52 ? 48.641 2.001 -0.946 1.00 8.03 ? 52 TYR D O 1 ATOM 11099 C CB . TYR D 1 52 ? 48.621 -0.913 -0.081 1.00 8.52 ? 52 TYR D CB 1 ATOM 11100 C CG . TYR D 1 52 ? 48.850 -1.524 -1.444 1.00 8.36 ? 52 TYR D CG 1 ATOM 11101 C CD1 . TYR D 1 52 ? 48.894 -2.914 -1.564 1.00 9.54 ? 52 TYR D CD1 1 ATOM 11102 C CD2 . TYR D 1 52 ? 48.924 -0.760 -2.619 1.00 9.45 ? 52 TYR D CD2 1 ATOM 11103 C CE1 . TYR D 1 52 ? 49.000 -3.526 -2.811 1.00 10.38 ? 52 TYR D CE1 1 ATOM 11104 C CE2 . TYR D 1 52 ? 49.036 -1.400 -3.892 1.00 10.05 ? 52 TYR D CE2 1 ATOM 11105 C CZ . TYR D 1 52 ? 49.099 -2.773 -3.940 1.00 12.05 ? 52 TYR D CZ 1 ATOM 11106 O OH . TYR D 1 52 ? 49.248 -3.459 -5.141 1.00 13.53 ? 52 TYR D OH 1 ATOM 11107 H H . TYR D 1 52 ? 48.053 1.061 1.540 1.00 9.04 ? 52 TYR D H 1 ATOM 11108 H HA . TYR D 1 52 ? 50.383 -0.110 0.673 1.00 9.87 ? 52 TYR D HA 1 ATOM 11109 H HB2 . TYR D 1 52 ? 48.692 -1.643 0.554 1.00 10.21 ? 52 TYR D HB2 1 ATOM 11110 H HB3 . TYR D 1 52 ? 47.704 -0.597 -0.082 1.00 10.21 ? 52 TYR D HB3 1 ATOM 11111 H HD1 . TYR D 1 52 ? 48.815 -3.441 -0.801 1.00 11.44 ? 52 TYR D HD1 1 ATOM 11112 H HD2 . TYR D 1 52 ? 48.869 0.167 -2.572 1.00 11.33 ? 52 TYR D HD2 1 ATOM 11113 H HE1 . TYR D 1 52 ? 49.054 -4.452 -2.867 1.00 12.45 ? 52 TYR D HE1 1 ATOM 11114 H HE2 . TYR D 1 52 ? 49.113 -0.896 -4.670 1.00 12.05 ? 52 TYR D HE2 1 ATOM 11115 H HH . TYR D 1 52 ? 49.951 -3.242 -5.502 1.00 16.22 ? 52 TYR D HH 1 ATOM 11116 N N . ASN D 1 53 ? 50.887 1.844 -0.683 1.00 9.53 ? 53 ASN D N 1 ATOM 11117 C CA . ASN D 1 53 ? 51.235 2.968 -1.552 1.00 10.90 ? 53 ASN D CA 1 ATOM 11118 C C . ASN D 1 53 ? 52.136 2.460 -2.672 1.00 9.72 ? 53 ASN D C 1 ATOM 11119 O O . ASN D 1 53 ? 52.873 1.498 -2.490 1.00 10.61 ? 53 ASN D O 1 ATOM 11120 C CB . ASN D 1 53 ? 51.978 4.054 -0.781 1.00 10.62 ? 53 ASN D CB 1 ATOM 11121 C CG . ASN D 1 53 ? 51.045 5.020 -0.087 1.00 9.28 ? 53 ASN D CG 1 ATOM 11122 O OD1 . ASN D 1 53 ? 49.863 4.766 0.110 1.00 9.61 ? 53 ASN D OD1 1 ATOM 11123 N ND2 . ASN D 1 53 ? 51.590 6.185 0.266 1.00 9.33 ? 53 ASN D ND2 1 ATOM 11124 H H . ASN D 1 53 ? 51.572 1.473 -0.319 1.00 11.42 ? 53 ASN D H 1 ATOM 11125 H HA . ASN D 1 53 ? 50.423 3.353 -1.944 1.00 13.06 ? 53 ASN D HA 1 ATOM 11126 H HB2 . ASN D 1 53 ? 52.535 3.637 -0.105 1.00 12.74 ? 53 ASN D HB2 1 ATOM 11127 H HB3 . ASN D 1 53 ? 52.528 4.560 -1.399 1.00 12.74 ? 53 ASN D HB3 1 ATOM 11128 H HD21 . ASN D 1 53 ? 51.046 6.862 0.720 1.00 11.18 ? 53 ASN D HD21 1 ATOM 11129 H HD22 . ASN D 1 53 ? 52.533 6.363 0.071 1.00 11.18 ? 53 ASN D HD22 1 ATOM 11130 N N . THR D 1 54 ? 52.104 3.117 -3.827 1.00 10.21 ? 54 THR D N 1 ATOM 11131 C CA . THR D 1 54 ? 53.021 2.745 -4.908 1.00 10.82 ? 54 THR D CA 1 ATOM 11132 C C . THR D 1 54 ? 53.761 4.028 -5.295 1.00 11.48 ? 54 THR D C 1 ATOM 11133 O O . THR D 1 54 ? 53.429 5.114 -4.831 1.00 12.36 ? 54 THR D O 1 ATOM 11134 C CB . THR D 1 54 ? 52.277 2.116 -6.091 1.00 13.10 ? 54 THR D CB 1 ATOM 11135 O OG1 . THR D 1 54 ? 51.356 3.052 -6.654 1.00 14.57 ? 54 THR D OG1 1 ATOM 11136 C CG2 . THR D 1 54 ? 51.504 0.880 -5.646 1.00 11.07 ? 54 THR D CG2 1 ATOM 11137 H H . THR D 1 54 ? 51.574 3.768 -4.011 1.00 12.24 ? 54 THR D H 1 ATOM 11138 H HA . THR D 1 54 ? 53.675 2.097 -4.573 1.00 12.97 ? 54 THR D HA 1 ATOM 11139 H HB . THR D 1 54 ? 52.918 1.849 -6.769 1.00 15.71 ? 54 THR D HB 1 ATOM 11140 H HG1 . THR D 1 54 ? 51.757 3.716 -6.918 1.00 17.47 ? 54 THR D HG1 1 ATOM 11141 H HG21 . THR D 1 54 ? 51.043 0.495 -6.395 1.00 13.28 ? 54 THR D HG21 1 ATOM 11142 H HG22 . THR D 1 54 ? 52.109 0.229 -5.283 1.00 13.28 ? 54 THR D HG22 1 ATOM 11143 H HG23 . THR D 1 54 ? 50.863 1.120 -4.974 1.00 13.28 ? 54 THR D HG23 1 ATOM 11144 N N . GLN D 1 55 ? 54.746 3.907 -6.189 1.00 12.54 ? 55 GLN D N 1 ATOM 11145 C CA . GLN D 1 55 ? 55.596 5.035 -6.518 1.00 15.04 ? 55 GLN D CA 1 ATOM 11146 C C . GLN D 1 55 ? 54.742 6.129 -7.140 1.00 12.01 ? 55 GLN D C 1 ATOM 11147 O O . GLN D 1 55 ? 54.041 5.883 -8.130 1.00 16.07 ? 55 GLN D O 1 ATOM 11148 C CB . GLN D 1 55 ? 56.683 4.555 -7.486 1.00 17.74 ? 55 GLN D CB 1 ATOM 11149 C CG . GLN D 1 55 ? 57.750 5.581 -7.760 1.00 25.77 ? 55 GLN D CG 1 ATOM 11150 C CD . GLN D 1 55 ? 58.596 5.793 -6.533 1.00 22.90 ? 55 GLN D CD 1 ATOM 11151 O OE1 . GLN D 1 55 ? 59.529 5.026 -6.264 1.00 41.71 ? 55 GLN D OE1 1 ATOM 11152 N NE2 . GLN D 1 55 ? 58.270 6.794 -5.775 1.00 22.73 ? 55 GLN D NE2 1 ATOM 11153 H H . GLN D 1 55 ? 54.936 3.183 -6.612 1.00 15.03 ? 55 GLN D H 1 ATOM 11154 H HA . GLN D 1 55 ? 56.021 5.384 -5.707 1.00 18.04 ? 55 GLN D HA 1 ATOM 11155 H HB2 . GLN D 1 55 ? 57.115 3.772 -7.108 1.00 21.27 ? 55 GLN D HB2 1 ATOM 11156 H HB3 . GLN D 1 55 ? 56.269 4.325 -8.332 1.00 21.27 ? 55 GLN D HB3 1 ATOM 11157 H HG2 . GLN D 1 55 ? 58.323 5.270 -8.478 1.00 30.91 ? 55 GLN D HG2 1 ATOM 11158 H HG3 . GLN D 1 55 ? 57.335 6.425 -7.997 1.00 30.91 ? 55 GLN D HG3 1 ATOM 11159 H HE21 . GLN D 1 55 ? 58.722 6.959 -5.062 1.00 27.27 ? 55 GLN D HE21 1 ATOM 11160 H HE22 . GLN D 1 55 ? 57.602 7.294 -5.986 1.00 27.27 ? 55 GLN D HE22 1 ATOM 11161 N N . GLY D 1 56 ? 54.758 7.302 -6.505 1.00 14.65 ? 56 GLY D N 1 ATOM 11162 C CA . GLY D 1 56 ? 53.988 8.467 -6.922 1.00 14.85 ? 56 GLY D CA 1 ATOM 11163 C C . GLY D 1 56 ? 52.500 8.461 -6.613 1.00 15.58 ? 56 GLY D C 1 ATOM 11164 O O . GLY D 1 56 ? 51.761 9.360 -7.032 1.00 15.38 ? 56 GLY D O 1 ATOM 11165 H H . GLY D 1 56 ? 55.229 7.449 -5.801 1.00 17.57 ? 56 GLY D H 1 ATOM 11166 H HA2 . GLY D 1 56 ? 54.369 9.254 -6.501 1.00 17.80 ? 56 GLY D HA2 1 ATOM 11167 H HA3 . GLY D 1 56 ? 54.085 8.572 -7.881 1.00 17.80 ? 56 GLY D HA3 1 ATOM 11168 N N . ARG D 1 57 ? 52.045 7.444 -5.867 1.00 12.40 ? 57 ARG D N 1 ATOM 11169 C CA . ARG D 1 57 ? 50.620 7.277 -5.618 1.00 11.51 ? 57 ARG D CA 1 ATOM 11170 C C . ARG D 1 57 ? 50.357 7.000 -4.150 1.00 9.06 ? 57 ARG D C 1 ATOM 11171 O O . ARG D 1 57 ? 50.641 5.916 -3.644 1.00 12.72 ? 57 ARG D O 1 ATOM 11172 C CB . ARG D 1 57 ? 50.068 6.131 -6.455 1.00 11.99 ? 57 ARG D CB 1 ATOM 11173 C CG . ARG D 1 57 ? 50.222 6.367 -7.979 1.00 15.22 ? 57 ARG D CG 1 ATOM 11174 C CD . ARG D 1 57 ? 49.458 5.337 -8.826 1.00 19.50 ? 57 ARG D CD 1 ATOM 11175 N NE . ARG D 1 57 ? 48.014 5.587 -8.833 1.00 21.27 ? 57 ARG D NE 1 ATOM 11176 C CZ . ARG D 1 57 ? 47.387 6.554 -9.515 1.00 23.10 ? 57 ARG D CZ 1 ATOM 11177 N NH1 . ARG D 1 57 ? 48.063 7.419 -10.284 1.00 29.83 ? 57 ARG D NH1 1 ATOM 11178 N NH2 . ARG D 1 57 ? 46.071 6.663 -9.439 1.00 24.43 ? 57 ARG D NH2 1 ATOM 11179 H H . ARG D 1 57 ? 52.542 6.846 -5.499 1.00 14.87 ? 57 ARG D H 1 ATOM 11180 H HA . ARG D 1 57 ? 50.148 8.099 -5.868 1.00 13.80 ? 57 ARG D HA 1 ATOM 11181 H HB2 . ARG D 1 57 ? 50.544 5.317 -6.228 1.00 14.38 ? 57 ARG D HB2 1 ATOM 11182 H HB3 . ARG D 1 57 ? 49.123 6.027 -6.262 1.00 14.38 ? 57 ARG D HB3 1 ATOM 11183 H HG2 . ARG D 1 57 ? 49.879 7.247 -8.198 1.00 18.26 ? 57 ARG D HG2 1 ATOM 11184 H HG3 . ARG D 1 57 ? 51.161 6.309 -8.214 1.00 18.26 ? 57 ARG D HG3 1 ATOM 11185 H HD2 . ARG D 1 57 ? 49.776 5.380 -9.741 1.00 23.39 ? 57 ARG D HD2 1 ATOM 11186 H HD3 . ARG D 1 57 ? 49.609 4.451 -8.461 1.00 23.39 ? 57 ARG D HD3 1 ATOM 11187 H HE . ARG D 1 57 ? 47.462 4.998 -8.295 1.00 25.51 ? 57 ARG D HE 1 ATOM 11188 H HH11 . ARG D 1 57 ? 48.919 7.361 -10.347 1.00 35.79 ? 57 ARG D HH11 1 ATOM 11189 H HH12 . ARG D 1 57 ? 47.641 8.033 -10.714 1.00 35.79 ? 57 ARG D HH12 1 ATOM 11190 H HH21 . ARG D 1 57 ? 45.623 6.117 -8.949 1.00 29.30 ? 57 ARG D HH21 1 ATOM 11191 H HH22 . ARG D 1 57 ? 45.665 7.285 -9.873 1.00 29.30 ? 57 ARG D HH22 1 ATOM 11192 N N . ASP D 1 58 ? 49.782 7.989 -3.500 1.00 9.50 ? 58 ASP D N 1 ATOM 11193 C CA . ASP D 1 58 ? 49.325 7.885 -2.102 1.00 9.59 ? 58 ASP D CA 1 ATOM 11194 C C . ASP D 1 58 ? 47.980 7.189 -2.035 1.00 8.37 ? 58 ASP D C 1 ATOM 11195 O O . ASP D 1 58 ? 47.126 7.359 -2.892 1.00 10.53 ? 58 ASP D O 1 ATOM 11196 C CB . ASP D 1 58 ? 49.211 9.271 -1.460 1.00 9.17 ? 58 ASP D CB 1 ATOM 11197 C CG . ASP D 1 58 ? 48.937 9.189 0.038 1.00 8.54 ? 58 ASP D CG 1 ATOM 11198 O OD1 . ASP D 1 58 ? 49.620 8.368 0.698 1.00 11.09 ? 58 ASP D OD1 1 ATOM 11199 O OD2 . ASP D 1 58 ? 48.115 9.965 0.557 1.00 11.19 ? 58 ASP D OD2 1 ATOM 11200 H H . ASP D 1 58 ? 49.635 8.762 -3.847 1.00 11.38 ? 58 ASP D H 1 ATOM 11201 H HA . ASP D 1 58 ? 49.972 7.358 -1.587 1.00 11.50 ? 58 ASP D HA 1 ATOM 11202 H HB2 . ASP D 1 58 ? 50.044 9.751 -1.589 1.00 11.00 ? 58 ASP D HB2 1 ATOM 11203 H HB3 . ASP D 1 58 ? 48.480 9.754 -1.875 1.00 11.00 ? 58 ASP D HB3 1 ATOM 11204 N N . ASN D 1 59 ? 47.783 6.416 -0.965 1.00 8.11 ? 59 ASN D N 1 ATOM 11205 C CA . ASN D 1 59 ? 46.471 5.820 -0.686 1.00 9.53 ? 59 ASN D CA 1 ATOM 11206 C C . ASN D 1 59 ? 45.982 4.996 -1.875 1.00 8.25 ? 59 ASN D C 1 ATOM 11207 O O . ASN D 1 59 ? 44.822 5.061 -2.273 1.00 9.90 ? 59 ASN D O 1 ATOM 11208 C CB . ASN D 1 59 ? 45.438 6.885 -0.282 1.00 8.01 ? 59 ASN D CB 1 ATOM 11209 C CG . ASN D 1 59 ? 45.846 7.641 0.936 1.00 8.06 ? 59 ASN D CG 1 ATOM 11210 O OD1 . ASN D 1 59 ? 46.824 7.291 1.581 1.00 8.48 ? 59 ASN D OD1 1 ATOM 11211 N ND2 . ASN D 1 59 ? 45.101 8.695 1.265 1.00 10.82 ? 59 ASN D ND2 1 ATOM 11212 H H . ASN D 1 59 ? 48.389 6.221 -0.387 1.00 9.72 ? 59 ASN D H 1 ATOM 11213 H HA . ASN D 1 59 ? 46.568 5.207 0.073 1.00 11.42 ? 59 ASN D HA 1 ATOM 11214 H HB2 . ASN D 1 59 ? 45.335 7.518 -1.010 1.00 9.60 ? 59 ASN D HB2 1 ATOM 11215 H HB3 . ASN D 1 59 ? 44.591 6.450 -0.097 1.00 9.60 ? 59 ASN D HB3 1 ATOM 11216 H HD21 . ASN D 1 59 ? 45.326 9.226 2.057 1.00 12.97 ? 59 ASN D HD21 1 ATOM 11217 H HD22 . ASN D 1 59 ? 44.328 8.939 0.714 1.00 12.97 ? 59 ASN D HD22 1 ATOM 11218 N N . GLU D 1 60 ? 46.888 4.219 -2.447 1.00 8.38 ? 60 GLU D N 1 ATOM 11219 C CA . GLU D 1 60 ? 46.565 3.383 -3.585 1.00 8.72 ? 60 GLU D CA 1 ATOM 11220 C C . GLU D 1 60 ? 45.603 2.280 -3.165 1.00 9.40 ? 60 GLU D C 1 ATOM 11221 O O . GLU D 1 60 ? 44.658 1.990 -3.899 1.00 9.81 ? 60 GLU D O 1 ATOM 11222 C CB . GLU D 1 60 ? 47.857 2.855 -4.211 1.00 9.99 ? 60 GLU D CB 1 ATOM 11223 C CG . GLU D 1 60 ? 47.646 2.082 -5.516 1.00 9.91 ? 60 GLU D CG 1 ATOM 11224 C CD . GLU D 1 60 ? 47.110 2.910 -6.668 1.00 12.67 ? 60 GLU D CD 1 ATOM 11225 O OE1 . GLU D 1 60 ? 46.988 4.132 -6.563 1.00 12.53 ? 60 GLU D OE1 1 ATOM 11226 O OE2 . GLU D 1 60 ? 46.788 2.307 -7.706 1.00 13.06 ? 60 GLU D OE2 1 ATOM 11227 H H . GLU D 1 60 ? 47.706 4.158 -2.190 1.00 10.05 ? 60 GLU D H 1 ATOM 11228 H HA . GLU D 1 60 ? 46.111 3.932 -4.258 1.00 10.45 ? 60 GLU D HA 1 ATOM 11229 H HB2 . GLU D 1 60 ? 48.440 3.606 -4.403 1.00 11.98 ? 60 GLU D HB2 1 ATOM 11230 H HB3 . GLU D 1 60 ? 48.289 2.258 -3.579 1.00 11.98 ? 60 GLU D HB3 1 ATOM 11231 H HG2 . GLU D 1 60 ? 48.496 1.708 -5.795 1.00 11.88 ? 60 GLU D HG2 1 ATOM 11232 H HG3 . GLU D 1 60 ? 47.013 1.365 -5.352 1.00 11.88 ? 60 GLU D HG3 1 ATOM 11233 N N . LEU D 1 61 ? 45.831 1.736 -1.965 1.00 8.87 ? 61 LEU D N 1 ATOM 11234 C CA . LEU D 1 61 ? 44.881 0.818 -1.327 1.00 8.40 ? 61 LEU D CA 1 ATOM 11235 C C . LEU D 1 61 ? 45.048 1.069 0.160 1.00 8.40 ? 61 LEU D C 1 ATOM 11236 O O . LEU D 1 61 ? 46.109 0.823 0.698 1.00 8.73 ? 61 LEU D O 1 ATOM 11237 C CB . LEU D 1 61 ? 45.193 -0.621 -1.708 1.00 7.14 ? 61 LEU D CB 1 ATOM 11238 C CG . LEU D 1 61 ? 44.169 -1.678 -1.395 1.00 8.59 ? 61 LEU D CG 1 ATOM 11239 C CD1 . LEU D 1 61 ? 44.610 -3.000 -2.000 1.00 11.43 ? 61 LEU D CD1 1 ATOM 11240 C CD2 . LEU D 1 61 ? 43.951 -1.819 0.107 1.00 12.10 ? 61 LEU D CD2 1 ATOM 11241 H H . LEU D 1 61 ? 46.536 1.885 -1.496 1.00 10.63 ? 61 LEU D H 1 ATOM 11242 H HA . LEU D 1 61 ? 43.964 1.035 -1.594 1.00 10.07 ? 61 LEU D HA 1 ATOM 11243 H HB2 . LEU D 1 61 ? 45.342 -0.649 -2.666 1.00 8.56 ? 61 LEU D HB2 1 ATOM 11244 H HB3 . LEU D 1 61 ? 46.011 -0.878 -1.254 1.00 8.56 ? 61 LEU D HB3 1 ATOM 11245 H HG . LEU D 1 61 ? 43.323 -1.429 -1.800 1.00 10.29 ? 61 LEU D HG 1 ATOM 11246 H HD11 . LEU D 1 61 ? 43.954 -3.670 -1.798 1.00 13.70 ? 61 LEU D HD11 1 ATOM 11247 H HD12 . LEU D 1 61 ? 44.690 -2.896 -2.951 1.00 13.70 ? 61 LEU D HD12 1 ATOM 11248 H HD13 . LEU D 1 61 ? 45.458 -3.248 -1.625 1.00 13.70 ? 61 LEU D HD13 1 ATOM 11249 H HD21 . LEU D 1 61 ? 43.293 -2.501 0.264 1.00 14.51 ? 61 LEU D HD21 1 ATOM 11250 H HD22 . LEU D 1 61 ? 44.781 -2.064 0.522 1.00 14.51 ? 61 LEU D HD22 1 ATOM 11251 H HD23 . LEU D 1 61 ? 43.644 -0.980 0.458 1.00 14.51 ? 61 LEU D HD23 1 ATOM 11252 N N . LEU D 1 62 ? 44.036 1.636 0.808 1.00 6.41 ? 62 LEU D N 1 ATOM 11253 C CA . LEU D 1 62 ? 44.151 1.968 2.214 1.00 6.06 ? 62 LEU D CA 1 ATOM 11254 C C . LEU D 1 62 ? 42.884 1.589 2.944 1.00 6.70 ? 62 LEU D C 1 ATOM 11255 O O . LEU D 1 62 ? 41.792 1.926 2.523 1.00 7.52 ? 62 LEU D O 1 ATOM 11256 C CB . LEU D 1 62 ? 44.437 3.480 2.369 1.00 7.85 ? 62 LEU D CB 1 ATOM 11257 C CG . LEU D 1 62 ? 44.299 4.057 3.778 1.00 6.86 ? 62 LEU D CG 1 ATOM 11258 C CD1 . LEU D 1 62 ? 45.372 3.529 4.731 1.00 8.10 ? 62 LEU D CD1 1 ATOM 11259 C CD2 . LEU D 1 62 ? 44.356 5.610 3.721 1.00 8.21 ? 62 LEU D CD2 1 ATOM 11260 H H . LEU D 1 62 ? 43.278 1.836 0.454 1.00 7.69 ? 62 LEU D H 1 ATOM 11261 H HA . LEU D 1 62 ? 44.897 1.470 2.607 1.00 7.26 ? 62 LEU D HA 1 ATOM 11262 H HB2 . LEU D 1 62 ? 45.346 3.648 2.077 1.00 9.41 ? 62 LEU D HB2 1 ATOM 11263 H HB3 . LEU D 1 62 ? 43.821 3.965 1.798 1.00 9.41 ? 62 LEU D HB3 1 ATOM 11264 H HG . LEU D 1 62 ? 43.433 3.805 4.136 1.00 8.22 ? 62 LEU D HG 1 ATOM 11265 H HD11 . LEU D 1 62 ? 45.240 3.921 5.597 1.00 9.71 ? 62 LEU D HD11 1 ATOM 11266 H HD12 . LEU D 1 62 ? 45.295 2.574 4.788 1.00 9.71 ? 62 LEU D HD12 1 ATOM 11267 H HD13 . LEU D 1 62 ? 46.237 3.769 4.390 1.00 9.71 ? 62 LEU D HD13 1 ATOM 11268 H HD21 . LEU D 1 62 ? 44.268 5.958 4.612 1.00 9.84 ? 62 LEU D HD21 1 ATOM 11269 H HD22 . LEU D 1 62 ? 45.198 5.878 3.346 1.00 9.84 ? 62 LEU D HD22 1 ATOM 11270 H HD23 . LEU D 1 62 ? 43.636 5.929 3.172 1.00 9.84 ? 62 LEU D HD23 1 ATOM 11271 N N . VAL D 1 63 ? 43.047 0.858 4.043 1.00 6.41 ? 63 VAL D N 1 ATOM 11272 C CA . VAL D 1 63 ? 41.918 0.542 4.942 1.00 6.12 ? 63 VAL D CA 1 ATOM 11273 C C . VAL D 1 63 ? 42.122 1.379 6.196 1.00 7.40 ? 63 VAL D C 1 ATOM 11274 O O . VAL D 1 63 ? 43.129 1.272 6.850 1.00 8.03 ? 63 VAL D O 1 ATOM 11275 C CB . VAL D 1 63 ? 41.899 -0.964 5.303 1.00 7.40 ? 63 VAL D CB 1 ATOM 11276 C CG1 . VAL D 1 63 ? 40.693 -1.259 6.167 1.00 9.39 ? 63 VAL D CG1 1 ATOM 11277 C CG2 . VAL D 1 63 ? 41.883 -1.817 4.040 1.00 10.54 ? 63 VAL D CG2 1 ATOM 11278 H H . VAL D 1 63 ? 43.799 0.529 4.298 1.00 7.69 ? 63 VAL D H 1 ATOM 11279 H HA . VAL D 1 63 ? 41.068 0.788 4.522 1.00 7.33 ? 63 VAL D HA 1 ATOM 11280 H HB . VAL D 1 63 ? 42.705 -1.185 5.814 1.00 8.86 ? 63 VAL D HB 1 ATOM 11281 H HG11 . VAL D 1 63 ? 40.687 -2.194 6.386 1.00 11.26 ? 63 VAL D HG11 1 ATOM 11282 H HG12 . VAL D 1 63 ? 40.748 -0.735 6.969 1.00 11.26 ? 63 VAL D HG12 1 ATOM 11283 H HG13 . VAL D 1 63 ? 39.897 -1.032 5.680 1.00 11.26 ? 63 VAL D HG13 1 ATOM 11284 H HG21 . VAL D 1 63 ? 41.871 -2.744 4.290 1.00 12.64 ? 63 VAL D HG21 1 ATOM 11285 H HG22 . VAL D 1 63 ? 41.099 -1.605 3.529 1.00 12.64 ? 63 VAL D HG22 1 ATOM 11286 H HG23 . VAL D 1 63 ? 42.671 -1.626 3.525 1.00 12.64 ? 63 VAL D HG23 1 ATOM 11287 N N . TYR D 1 64 ? 41.129 2.215 6.483 1.00 7.40 ? 64 TYR D N 1 ATOM 11288 C CA . TYR D 1 64 ? 41.286 3.291 7.454 1.00 8.58 ? 64 TYR D CA 1 ATOM 11289 C C . TYR D 1 64 ? 40.071 3.286 8.369 1.00 9.43 ? 64 TYR D C 1 ATOM 11290 O O . TYR D 1 64 ? 38.946 3.160 7.893 1.00 8.97 ? 64 TYR D O 1 ATOM 11291 C CB . TYR D 1 64 ? 41.401 4.627 6.700 1.00 7.84 ? 64 TYR D CB 1 ATOM 11292 C CG . TYR D 1 64 ? 41.895 5.773 7.532 1.00 8.13 ? 64 TYR D CG 1 ATOM 11293 C CD1 . TYR D 1 64 ? 43.236 5.885 7.845 1.00 8.53 ? 64 TYR D CD1 1 ATOM 11294 C CD2 . TYR D 1 64 ? 41.021 6.791 7.942 1.00 10.36 ? 64 TYR D CD2 1 ATOM 11295 C CE1 . TYR D 1 64 ? 43.713 6.963 8.607 1.00 9.80 ? 64 TYR D CE1 1 ATOM 11296 C CE2 . TYR D 1 64 ? 41.498 7.872 8.702 1.00 11.51 ? 64 TYR D CE2 1 ATOM 11297 C CZ . TYR D 1 64 ? 42.853 7.931 9.006 1.00 10.07 ? 64 TYR D CZ 1 ATOM 11298 O OH . TYR D 1 64 ? 43.371 9.009 9.749 1.00 13.08 ? 64 TYR D OH 1 ATOM 11299 H H . TYR D 1 64 ? 40.348 2.180 6.126 1.00 8.87 ? 64 TYR D H 1 ATOM 11300 H HA . TYR D 1 64 ? 42.095 3.150 7.989 1.00 10.28 ? 64 TYR D HA 1 ATOM 11301 H HB2 . TYR D 1 64 ? 42.019 4.513 5.960 1.00 9.39 ? 64 TYR D HB2 1 ATOM 11302 H HB3 . TYR D 1 64 ? 40.525 4.866 6.359 1.00 9.39 ? 64 TYR D HB3 1 ATOM 11303 H HD1 . TYR D 1 64 ? 43.826 5.222 7.571 1.00 10.22 ? 64 TYR D HD1 1 ATOM 11304 H HD2 . TYR D 1 64 ? 40.117 6.739 7.730 1.00 12.42 ? 64 TYR D HD2 1 ATOM 11305 H HE1 . TYR D 1 64 ? 44.617 7.023 8.818 1.00 11.75 ? 64 TYR D HE1 1 ATOM 11306 H HE2 . TYR D 1 64 ? 40.920 8.545 8.983 1.00 13.80 ? 64 TYR D HE2 1 ATOM 11307 H HH . TYR D 1 64 ? 43.007 9.044 10.483 1.00 15.68 ? 64 TYR D HH 1 ATOM 11308 N N . LYS D 1 65 ? 40.281 3.392 9.668 1.00 8.59 ? 65 LYS D N 1 ATOM 11309 C CA . LYS D 1 65 ? 39.191 3.439 10.631 1.00 8.29 ? 65 LYS D CA 1 ATOM 11310 C C . LYS D 1 65 ? 39.001 4.886 11.022 1.00 9.11 ? 65 LYS D C 1 ATOM 11311 O O . LYS D 1 65 ? 39.854 5.485 11.701 1.00 9.93 ? 65 LYS D O 1 ATOM 11312 C CB . LYS D 1 65 ? 39.565 2.611 11.844 1.00 10.11 ? 65 LYS D CB 1 ATOM 11313 C CG . LYS D 1 65 ? 38.436 2.483 12.860 1.00 14.39 ? 65 LYS D CG 1 ATOM 11314 C CD . LYS D 1 65 ? 37.483 1.451 12.395 1.00 18.21 ? 65 LYS D CD 1 ATOM 11315 C CE . LYS D 1 65 ? 36.296 1.266 13.333 1.00 17.30 ? 65 LYS D CE 1 ATOM 11316 N NZ . LYS D 1 65 ? 36.693 1.037 14.749 1.00 16.34 ? 65 LYS D NZ 1 ATOM 11317 H H . LYS D 1 65 ? 41.061 3.439 10.027 1.00 10.30 ? 65 LYS D H 1 ATOM 11318 H HA . LYS D 1 65 ? 38.364 3.092 10.236 1.00 9.94 ? 65 LYS D HA 1 ATOM 11319 H HB2 . LYS D 1 65 ? 39.805 1.718 11.552 1.00 12.12 ? 65 LYS D HB2 1 ATOM 11320 H HB3 . LYS D 1 65 ? 40.320 3.028 12.288 1.00 12.12 ? 65 LYS D HB3 1 ATOM 11321 H HG2 . LYS D 1 65 ? 38.797 2.210 13.718 1.00 17.26 ? 65 LYS D HG2 1 ATOM 11322 H HG3 . LYS D 1 65 ? 37.967 3.329 12.937 1.00 17.26 ? 65 LYS D HG3 1 ATOM 11323 H HD2 . LYS D 1 65 ? 37.139 1.709 11.525 1.00 21.83 ? 65 LYS D HD2 1 ATOM 11324 H HD3 . LYS D 1 65 ? 37.946 0.601 12.329 1.00 21.83 ? 65 LYS D HD3 1 ATOM 11325 H HE2 . LYS D 1 65 ? 35.745 2.064 13.304 1.00 20.75 ? 65 LYS D HE2 1 ATOM 11326 H HE3 . LYS D 1 65 ? 35.780 0.499 13.040 1.00 20.75 ? 65 LYS D HE3 1 ATOM 11327 H HZ1 . LYS D 1 65 ? 35.912 0.928 15.296 1.00 19.59 ? 65 LYS D HZ1 1 ATOM 11328 H HZ2 . LYS D 1 65 ? 37.233 0.246 14.814 1.00 19.59 ? 65 LYS D HZ2 1 ATOM 11329 H HZ3 . LYS D 1 65 ? 37.198 1.787 15.073 1.00 19.59 ? 65 LYS D HZ3 1 ATOM 11330 N N . GLU D 1 66 ? 37.862 5.431 10.599 1.00 12.30 ? 66 GLU D N 1 ATOM 11331 C CA . GLU D 1 66 ? 37.547 6.826 10.802 1.00 15.41 ? 66 GLU D CA 1 ATOM 11332 C C . GLU D 1 66 ? 37.262 7.182 12.273 1.00 12.76 ? 66 GLU D C 1 ATOM 11333 O O . GLU D 1 66 ? 37.711 8.197 12.813 1.00 16.31 ? 66 GLU D O 1 ATOM 11334 C CB . GLU D 1 66 ? 36.291 7.152 9.983 1.00 13.81 ? 66 GLU D CB 1 ATOM 11335 C CG . GLU D 1 66 ? 36.412 6.900 8.468 1.00 14.99 ? 66 GLU D CG 1 ATOM 11336 C CD . GLU D 1 66 ? 37.404 7.817 7.723 1.00 17.20 ? 66 GLU D CD 1 ATOM 11337 O OE1 . GLU D 1 66 ? 37.885 8.804 8.360 1.00 18.91 ? 66 GLU D OE1 1 ATOM 11338 O OE2 . GLU D 1 66 ? 37.704 7.568 6.502 1.00 15.54 ? 66 GLU D OE2 1 ATOM 11339 H H . GLU D 1 66 ? 37.247 4.996 10.184 1.00 14.75 ? 66 GLU D H 1 ATOM 11340 H HA . GLU D 1 66 ? 38.287 7.382 10.480 1.00 18.48 ? 66 GLU D HA 1 ATOM 11341 H HB2 . GLU D 1 66 ? 35.559 6.608 10.312 1.00 16.56 ? 66 GLU D HB2 1 ATOM 11342 H HB3 . GLU D 1 66 ? 36.079 8.091 10.106 1.00 16.56 ? 66 GLU D HB3 1 ATOM 11343 H HG2 . GLU D 1 66 ? 36.703 5.984 8.331 1.00 17.97 ? 66 GLU D HG2 1 ATOM 11344 H HG3 . GLU D 1 66 ? 35.539 7.026 8.064 1.00 17.97 ? 66 GLU D HG3 1 ATOM 11345 N N . ARG D 1 67 ? 36.506 6.309 12.863 1.00 11.32 ? 67 ARG D N 1 ATOM 11346 C CA . ARG D 1 67 ? 35.940 6.448 14.207 1.00 9.44 ? 67 ARG D CA 1 ATOM 11347 C C . ARG D 1 67 ? 35.209 5.158 14.492 1.00 11.57 ? 67 ARG D C 1 ATOM 11348 O O . ARG D 1 67 ? 35.045 4.315 13.594 1.00 10.33 ? 67 ARG D O 1 ATOM 11349 C CB . ARG D 1 67 ? 34.988 7.627 14.313 1.00 11.50 ? 67 ARG D CB 1 ATOM 11350 C CG . ARG D 1 67 ? 33.821 7.590 13.345 1.00 13.90 ? 67 ARG D CG 1 ATOM 11351 C CD . ARG D 1 67 ? 32.909 8.844 13.478 1.00 19.16 ? 67 ARG D CD 1 ATOM 11352 N NE . ARG D 1 67 ? 33.663 10.077 13.327 1.00 20.01 ? 67 ARG D NE 1 ATOM 11353 C CZ . ARG D 1 67 ? 34.037 10.604 12.169 1.00 18.86 ? 67 ARG D CZ 1 ATOM 11354 N NH1 . ARG D 1 67 ? 33.740 10.018 11.013 1.00 24.38 ? 67 ARG D NH1 1 ATOM 11355 N NH2 . ARG D 1 67 ? 34.747 11.734 12.161 1.00 29.32 ? 67 ARG D NH2 1 ATOM 11356 H H . ARG D 1 67 ? 36.279 5.567 12.491 1.00 13.57 ? 67 ARG D H 1 ATOM 11357 H HA . ARG D 1 67 ? 36.659 6.559 14.863 1.00 11.32 ? 67 ARG D HA 1 ATOM 11358 H HB2 . ARG D 1 67 ? 34.624 7.650 15.212 1.00 13.79 ? 67 ARG D HB2 1 ATOM 11359 H HB3 . ARG D 1 67 ? 35.486 8.442 14.142 1.00 13.79 ? 67 ARG D HB3 1 ATOM 11360 H HG2 . ARG D 1 67 ? 34.161 7.558 12.438 1.00 16.67 ? 67 ARG D HG2 1 ATOM 11361 H HG3 . ARG D 1 67 ? 33.282 6.804 13.527 1.00 16.67 ? 67 ARG D HG3 1 ATOM 11362 H HD2 . ARG D 1 67 ? 32.229 8.819 12.788 1.00 22.98 ? 67 ARG D HD2 1 ATOM 11363 H HD3 . ARG D 1 67 ? 32.496 8.847 14.356 1.00 22.98 ? 67 ARG D HD3 1 ATOM 11364 H HE . ARG D 1 67 ? 33.911 10.552 14.136 1.00 24.00 ? 67 ARG D HE 1 ATOM 11365 H HH11 . ARG D 1 67 ? 33.290 9.285 11.005 1.00 29.24 ? 67 ARG D HH11 1 ATOM 11366 H HH12 . ARG D 1 67 ? 33.993 10.375 10.272 1.00 29.24 ? 67 ARG D HH12 1 ATOM 11367 H HH21 . ARG D 1 67 ? 34.944 12.123 12.902 1.00 35.17 ? 67 ARG D HH21 1 ATOM 11368 H HH22 . ARG D 1 67 ? 34.990 12.084 11.414 1.00 35.17 ? 67 ARG D HH22 1 ATOM 11369 N N . VAL D 1 68 ? 34.758 4.960 15.722 1.00 11.12 ? 68 VAL D N 1 ATOM 11370 C CA . VAL D 1 68 ? 34.048 3.748 16.076 1.00 8.59 ? 68 VAL D CA 1 ATOM 11371 C C . VAL D 1 68 ? 32.880 3.564 15.112 1.00 9.71 ? 68 VAL D C 1 ATOM 11372 O O . VAL D 1 68 ? 32.155 4.515 14.797 1.00 13.05 ? 68 VAL D O 1 ATOM 11373 C CB A VAL D 1 68 ? 33.513 3.788 17.524 0.63 11.33 ? 68 VAL D CB 1 ATOM 11374 C CB B VAL D 1 68 ? 33.489 3.741 17.527 0.37 12.24 ? 68 VAL D CB 1 ATOM 11375 C CG1 A VAL D 1 68 ? 32.728 2.502 17.867 0.63 12.76 ? 68 VAL D CG1 1 ATOM 11376 C CG1 B VAL D 1 68 ? 34.581 3.456 18.523 0.37 17.38 ? 68 VAL D CG1 1 ATOM 11377 C CG2 A VAL D 1 68 ? 34.628 3.957 18.473 0.63 22.76 ? 68 VAL D CG2 1 ATOM 11378 C CG2 B VAL D 1 68 ? 32.740 5.039 17.851 0.37 7.97 ? 68 VAL D CG2 1 ATOM 11379 H H . VAL D 1 68 ? 34.852 5.516 16.371 1.00 13.34 ? 68 VAL D H 1 ATOM 11380 H HA . VAL D 1 68 ? 34.651 2.982 15.978 1.00 10.30 ? 68 VAL D HA 1 ATOM 11381 H HB A VAL D 1 68 ? 32.908 4.552 17.623 0.63 13.58 ? 68 VAL D HB 1 ATOM 11382 H HB B VAL D 1 68 ? 32.840 3.010 17.597 0.37 14.68 ? 68 VAL D HB 1 ATOM 11383 H HG11 A VAL D 1 68 ? 32.412 2.562 18.772 0.63 15.30 ? 68 VAL D HG11 1 ATOM 11384 H HG11 B VAL D 1 68 ? 34.205 3.458 19.407 0.37 20.85 ? 68 VAL D HG11 1 ATOM 11385 H HG12 A VAL D 1 68 ? 31.985 2.420 17.265 0.63 15.30 ? 68 VAL D HG12 1 ATOM 11386 H HG12 B VAL D 1 68 ? 34.962 2.597 18.331 0.37 20.85 ? 68 VAL D HG12 1 ATOM 11387 H HG13 A VAL D 1 68 ? 33.312 1.746 17.773 0.63 15.30 ? 68 VAL D HG13 1 ATOM 11388 H HG13 B VAL D 1 68 ? 35.254 4.137 18.452 0.37 20.85 ? 68 VAL D HG13 1 ATOM 11389 H HG21 A VAL D 1 68 ? 34.277 3.980 19.366 0.63 27.30 ? 68 VAL D HG21 1 ATOM 11390 H HG21 B VAL D 1 68 ? 32.412 4.994 18.752 0.37 9.55 ? 68 VAL D HG21 1 ATOM 11391 H HG22 A VAL D 1 68 ? 35.234 3.219 18.377 0.63 27.30 ? 68 VAL D HG22 1 ATOM 11392 H HG22 B VAL D 1 68 ? 33.345 5.780 17.759 0.37 9.55 ? 68 VAL D HG22 1 ATOM 11393 H HG23 A VAL D 1 68 ? 35.081 4.781 18.278 0.63 27.30 ? 68 VAL D HG23 1 ATOM 11394 H HG23 B VAL D 1 68 ? 32.006 5.138 17.240 0.37 9.55 ? 68 VAL D HG23 1 ATOM 11395 N N . GLY D 1 69 ? 32.779 2.350 14.581 1.00 9.53 ? 69 GLY D N 1 ATOM 11396 C CA . GLY D 1 69 ? 31.661 2.006 13.737 1.00 9.73 ? 69 GLY D CA 1 ATOM 11397 C C . GLY D 1 69 ? 31.775 2.442 12.294 1.00 11.88 ? 69 GLY D C 1 ATOM 11398 O O . GLY D 1 69 ? 30.802 2.292 11.539 1.00 12.36 ? 69 GLY D O 1 ATOM 11399 H H . GLY D 1 69 ? 33.347 1.714 14.698 1.00 11.42 ? 69 GLY D H 1 ATOM 11400 H HA2 . GLY D 1 69 ? 31.547 1.043 13.748 1.00 11.66 ? 69 GLY D HA2 1 ATOM 11401 H HA3 . GLY D 1 69 ? 30.858 2.406 14.105 1.00 11.66 ? 69 GLY D HA3 1 ATOM 11402 N N . GLU D 1 70 ? 32.914 2.957 11.855 1.00 8.09 ? 70 GLU D N 1 ATOM 11403 C CA . GLU D 1 70 ? 33.005 3.463 10.500 1.00 8.79 ? 70 GLU D CA 1 ATOM 11404 C C . GLU D 1 70 ? 34.320 3.055 9.861 1.00 9.35 ? 70 GLU D C 1 ATOM 11405 O O . GLU D 1 70 ? 35.416 3.432 10.338 1.00 10.09 ? 70 GLU D O 1 ATOM 11406 C CB . GLU D 1 70 ? 32.899 4.994 10.432 1.00 11.34 ? 70 GLU D CB 1 ATOM 11407 C CG . GLU D 1 70 ? 31.624 5.554 10.984 1.00 15.72 ? 70 GLU D CG 1 ATOM 11408 C CD . GLU D 1 70 ? 31.492 7.043 10.726 1.00 19.87 ? 70 GLU D CD 1 ATOM 11409 O OE1 . GLU D 1 70 ? 32.392 7.632 10.102 1.00 20.69 ? 70 GLU D OE1 1 ATOM 11410 O OE2 . GLU D 1 70 ? 30.460 7.604 11.167 1.00 29.21 ? 70 GLU D OE2 1 ATOM 11411 H H . GLU D 1 70 ? 33.638 3.023 12.315 1.00 9.69 ? 70 GLU D H 1 ATOM 11412 H HA . GLU D 1 70 ? 32.275 3.083 9.967 1.00 10.54 ? 70 GLU D HA 1 ATOM 11413 H HB2 . GLU D 1 70 ? 33.632 5.378 10.937 1.00 13.59 ? 70 GLU D HB2 1 ATOM 11414 H HB3 . GLU D 1 70 ? 32.963 5.268 9.504 1.00 13.59 ? 70 GLU D HB3 1 ATOM 11415 H HG2 . GLU D 1 70 ? 30.873 5.107 10.563 1.00 18.85 ? 70 GLU D HG2 1 ATOM 11416 H HG3 . GLU D 1 70 ? 31.603 5.411 11.943 1.00 18.85 ? 70 GLU D HG3 1 ATOM 11417 N N . TYR D 1 71 ? 34.212 2.314 8.774 1.00 7.01 ? 71 TYR D N 1 ATOM 11418 C CA . TYR D 1 71 ? 35.355 1.783 8.044 1.00 7.56 ? 71 TYR D CA 1 ATOM 11419 C C . TYR D 1 71 ? 35.428 2.361 6.642 1.00 7.93 ? 71 TYR D C 1 ATOM 11420 O O . TYR D 1 71 ? 34.413 2.418 5.945 1.00 9.05 ? 71 TYR D O 1 ATOM 11421 C CB . TYR D 1 71 ? 35.259 0.244 7.961 1.00 9.31 ? 71 TYR D CB 1 ATOM 11422 C CG . TYR D 1 71 ? 35.345 -0.440 9.306 1.00 7.90 ? 71 TYR D CG 1 ATOM 11423 C CD1 . TYR D 1 71 ? 34.257 -0.574 10.113 1.00 9.08 ? 71 TYR D CD1 1 ATOM 11424 C CD2 . TYR D 1 71 ? 36.551 -0.886 9.757 1.00 11.48 ? 71 TYR D CD2 1 ATOM 11425 C CE1 . TYR D 1 71 ? 34.370 -1.166 11.367 1.00 9.45 ? 71 TYR D CE1 1 ATOM 11426 C CE2 . TYR D 1 71 ? 36.681 -1.464 10.997 1.00 12.58 ? 71 TYR D CE2 1 ATOM 11427 C CZ . TYR D 1 71 ? 35.585 -1.618 11.788 1.00 10.91 ? 71 TYR D CZ 1 ATOM 11428 O OH . TYR D 1 71 ? 35.746 -2.190 13.024 1.00 13.22 ? 71 TYR D OH 1 ATOM 11429 H H . TYR D 1 71 ? 33.457 2.096 8.423 1.00 8.40 ? 71 TYR D H 1 ATOM 11430 H HA . TYR D 1 71 ? 36.180 2.016 8.518 1.00 9.05 ? 71 TYR D HA 1 ATOM 11431 H HB2 . TYR D 1 71 ? 34.409 0.004 7.560 1.00 11.17 ? 71 TYR D HB2 1 ATOM 11432 H HB3 . TYR D 1 71 ? 35.987 -0.086 7.412 1.00 11.17 ? 71 TYR D HB3 1 ATOM 11433 H HD1 . TYR D 1 71 ? 33.429 -0.265 9.824 1.00 10.88 ? 71 TYR D HD1 1 ATOM 11434 H HD2 . TYR D 1 71 ? 37.305 -0.782 9.223 1.00 13.76 ? 71 TYR D HD2 1 ATOM 11435 H HE1 . TYR D 1 71 ? 33.621 -1.262 11.910 1.00 11.33 ? 71 TYR D HE1 1 ATOM 11436 H HE2 . TYR D 1 71 ? 37.511 -1.771 11.284 1.00 15.08 ? 71 TYR D HE2 1 ATOM 11437 H HH . TYR D 1 71 ? 35.271 -2.855 13.090 1.00 15.85 ? 71 TYR D HH 1 ATOM 11438 N N . SER D 1 72 ? 36.622 2.780 6.225 1.00 7.76 ? 72 SER D N 1 ATOM 11439 C CA . SER D 1 72 ? 36.821 3.314 4.892 1.00 7.10 ? 72 SER D CA 1 ATOM 11440 C C . SER D 1 72 ? 37.813 2.482 4.105 1.00 6.25 ? 72 SER D C 1 ATOM 11441 O O . SER D 1 72 ? 38.803 1.939 4.654 1.00 7.81 ? 72 SER D O 1 ATOM 11442 C CB . SER D 1 72 ? 37.356 4.740 4.932 1.00 9.70 ? 72 SER D CB 1 ATOM 11443 O OG . SER D 1 72 ? 36.403 5.579 5.515 1.00 11.82 ? 72 SER D OG 1 ATOM 11444 H H . SER D 1 72 ? 37.335 2.763 6.705 1.00 9.30 ? 72 SER D H 1 ATOM 11445 H HA . SER D 1 72 ? 35.967 3.317 4.411 1.00 8.51 ? 72 SER D HA 1 ATOM 11446 H HB2 . SER D 1 72 ? 38.168 4.762 5.462 1.00 11.63 ? 72 SER D HB2 1 ATOM 11447 H HB3 . SER D 1 72 ? 37.536 5.040 4.028 1.00 11.63 ? 72 SER D HB3 1 ATOM 11448 H HG . SER D 1 72 ? 36.684 6.349 5.540 1.00 14.18 ? 72 SER D HG 1 ATOM 11449 N N . LEU D 1 73 ? 37.569 2.397 2.805 1.00 6.91 ? 73 LEU D N 1 ATOM 11450 C CA . LEU D 1 73 ? 38.522 1.851 1.861 1.00 6.60 ? 73 LEU D CA 1 ATOM 11451 C C . LEU D 1 73 ? 38.837 2.936 0.851 1.00 8.03 ? 73 LEU D C 1 ATOM 11452 O O . LEU D 1 73 ? 37.914 3.564 0.286 1.00 8.30 ? 73 LEU D O 1 ATOM 11453 C CB . LEU D 1 73 ? 37.925 0.652 1.094 1.00 7.50 ? 73 LEU D CB 1 ATOM 11454 C CG . LEU D 1 73 ? 38.777 0.084 -0.066 1.00 7.74 ? 73 LEU D CG 1 ATOM 11455 C CD1 . LEU D 1 73 ? 40.003 -0.591 0.501 1.00 9.38 ? 73 LEU D CD1 1 ATOM 11456 C CD2 . LEU D 1 73 ? 37.979 -0.864 -0.921 1.00 8.91 ? 73 LEU D CD2 1 ATOM 11457 H H . LEU D 1 73 ? 36.836 2.658 2.439 1.00 8.28 ? 73 LEU D H 1 ATOM 11458 H HA . LEU D 1 73 ? 39.344 1.575 2.317 1.00 7.90 ? 73 LEU D HA 1 ATOM 11459 H HB2 . LEU D 1 73 ? 37.779 -0.070 1.725 1.00 8.99 ? 73 LEU D HB2 1 ATOM 11460 H HB3 . LEU D 1 73 ? 37.074 0.926 0.718 1.00 8.99 ? 73 LEU D HB3 1 ATOM 11461 H HG . LEU D 1 73 ? 39.073 0.817 -0.628 1.00 9.27 ? 73 LEU D HG 1 ATOM 11462 H HD11 . LEU D 1 73 ? 40.529 -0.942 -0.221 1.00 11.24 ? 73 LEU D HD11 1 ATOM 11463 H HD12 . LEU D 1 73 ? 40.515 0.054 0.995 1.00 11.24 ? 73 LEU D HD12 1 ATOM 11464 H HD13 . LEU D 1 73 ? 39.727 -1.304 1.082 1.00 11.24 ? 73 LEU D HD13 1 ATOM 11465 H HD21 . LEU D 1 73 ? 38.539 -1.195 -1.627 1.00 10.68 ? 73 LEU D HD21 1 ATOM 11466 H HD22 . LEU D 1 73 ? 37.672 -1.593 -0.377 1.00 10.68 ? 73 LEU D HD22 1 ATOM 11467 H HD23 . LEU D 1 73 ? 37.229 -0.393 -1.292 1.00 10.68 ? 73 LEU D HD23 1 ATOM 11468 N N . TYR D 1 74 ? 40.127 3.146 0.603 1.00 7.55 ? 74 TYR D N 1 ATOM 11469 C CA . TYR D 1 74 ? 40.596 3.994 -0.473 1.00 8.12 ? 74 TYR D CA 1 ATOM 11470 C C . TYR D 1 74 ? 41.157 3.096 -1.569 1.00 8.83 ? 74 TYR D C 1 ATOM 11471 O O . TYR D 1 74 ? 41.881 2.137 -1.302 1.00 9.19 ? 74 TYR D O 1 ATOM 11472 C CB . TYR D 1 74 ? 41.721 4.916 -0.031 1.00 8.54 ? 74 TYR D CB 1 ATOM 11473 C CG . TYR D 1 74 ? 41.335 6.002 0.893 1.00 10.43 ? 74 TYR D CG 1 ATOM 11474 C CD1 . TYR D 1 74 ? 40.970 5.756 2.205 1.00 10.12 ? 74 TYR D CD1 1 ATOM 11475 C CD2 . TYR D 1 74 ? 41.394 7.328 0.463 1.00 10.79 ? 74 TYR D CD2 1 ATOM 11476 C CE1 . TYR D 1 74 ? 40.644 6.784 3.066 1.00 11.00 ? 74 TYR D CE1 1 ATOM 11477 C CE2 . TYR D 1 74 ? 41.103 8.349 1.312 1.00 14.13 ? 74 TYR D CE2 1 ATOM 11478 C CZ . TYR D 1 74 ? 40.709 8.088 2.596 1.00 13.04 ? 74 TYR D CZ 1 ATOM 11479 O OH . TYR D 1 74 ? 40.424 9.131 3.450 1.00 20.96 ? 74 TYR D OH 1 ATOM 11480 H H . TYR D 1 74 ? 40.763 2.795 1.062 1.00 9.05 ? 74 TYR D H 1 ATOM 11481 H HA . TYR D 1 74 ? 39.858 4.528 -0.835 1.00 9.73 ? 74 TYR D HA 1 ATOM 11482 H HB2 . TYR D 1 74 ? 42.397 4.382 0.415 1.00 10.24 ? 74 TYR D HB2 1 ATOM 11483 H HB3 . TYR D 1 74 ? 42.105 5.330 -0.820 1.00 10.24 ? 74 TYR D HB3 1 ATOM 11484 H HD1 . TYR D 1 74 ? 40.927 4.878 2.508 1.00 12.14 ? 74 TYR D HD1 1 ATOM 11485 H HD2 . TYR D 1 74 ? 41.663 7.517 -0.407 1.00 12.93 ? 74 TYR D HD2 1 ATOM 11486 H HE1 . TYR D 1 74 ? 40.395 6.608 3.944 1.00 13.18 ? 74 TYR D HE1 1 ATOM 11487 H HE2 . TYR D 1 74 ? 41.138 9.228 1.008 1.00 16.94 ? 74 TYR D HE2 1 ATOM 11488 H HH . TYR D 1 74 ? 39.788 9.563 3.163 1.00 25.14 ? 74 TYR D HH 1 ATOM 11489 N N . ILE D 1 75 ? 40.801 3.419 -2.809 1.00 9.04 ? 75 ILE D N 1 ATOM 11490 C CA . ILE D 1 75 ? 41.384 2.831 -3.999 1.00 9.09 ? 75 ILE D CA 1 ATOM 11491 C C . ILE D 1 75 ? 41.830 3.999 -4.858 1.00 10.49 ? 75 ILE D C 1 ATOM 11492 O O . ILE D 1 75 ? 41.012 4.838 -5.255 1.00 11.32 ? 75 ILE D O 1 ATOM 11493 C CB . ILE D 1 75 ? 40.364 1.987 -4.814 1.00 9.85 ? 75 ILE D CB 1 ATOM 11494 C CG1 . ILE D 1 75 ? 39.795 0.810 -3.986 1.00 10.86 ? 75 ILE D CG1 1 ATOM 11495 C CG2 . ILE D 1 75 ? 41.020 1.509 -6.120 1.00 11.61 ? 75 ILE D CG2 1 ATOM 11496 C CD1 . ILE D 1 75 ? 40.793 -0.316 -3.730 1.00 11.08 ? 75 ILE D CD1 1 ATOM 11497 H H . ILE D 1 75 ? 40.196 4.004 -2.988 1.00 10.83 ? 75 ILE D H 1 ATOM 11498 H HA . ILE D 1 75 ? 42.159 2.278 -3.767 1.00 10.89 ? 75 ILE D HA 1 ATOM 11499 H HB . ILE D 1 75 ? 39.623 2.567 -5.050 1.00 11.81 ? 75 ILE D HB 1 ATOM 11500 H HG12 . ILE D 1 75 ? 39.504 1.147 -3.124 1.00 13.02 ? 75 ILE D HG12 1 ATOM 11501 H HG13 . ILE D 1 75 ? 39.039 0.432 -4.462 1.00 13.02 ? 75 ILE D HG13 1 ATOM 11502 H HG21 . ILE D 1 75 ? 40.384 0.989 -6.617 1.00 13.92 ? 75 ILE D HG21 1 ATOM 11503 H HG22 . ILE D 1 75 ? 41.290 2.275 -6.633 1.00 13.92 ? 75 ILE D HG22 1 ATOM 11504 H HG23 . ILE D 1 75 ? 41.786 0.972 -5.906 1.00 13.92 ? 75 ILE D HG23 1 ATOM 11505 H HD11 . ILE D 1 75 ? 40.364 -1.002 -3.214 1.00 13.29 ? 75 ILE D HD11 1 ATOM 11506 H HD12 . ILE D 1 75 ? 41.083 -0.673 -4.573 1.00 13.29 ? 75 ILE D HD12 1 ATOM 11507 H HD13 . ILE D 1 75 ? 41.544 0.036 -3.247 1.00 13.29 ? 75 ILE D HD13 1 ATOM 11508 N N . GLY D 1 76 ? 43.119 4.055 -5.149 1.00 10.79 ? 76 GLY D N 1 ATOM 11509 C CA . GLY D 1 76 ? 43.621 5.136 -5.988 1.00 10.52 ? 76 GLY D CA 1 ATOM 11510 C C . GLY D 1 76 ? 43.197 6.515 -5.499 1.00 10.74 ? 76 GLY D C 1 ATOM 11511 O O . GLY D 1 76 ? 42.796 7.380 -6.295 1.00 12.55 ? 76 GLY D O 1 ATOM 11512 H H . GLY D 1 76 ? 43.714 3.495 -4.882 1.00 12.94 ? 76 GLY D H 1 ATOM 11513 H HA2 . GLY D 1 76 ? 44.591 5.104 -6.007 1.00 12.61 ? 76 GLY D HA2 1 ATOM 11514 H HA3 . GLY D 1 76 ? 43.294 5.019 -6.893 1.00 12.61 ? 76 GLY D HA3 1 ATOM 11515 N N . ARG D 1 77 ? 43.333 6.761 -4.204 1.00 9.44 ? 77 ARG D N 1 ATOM 11516 C CA . ARG D 1 77 ? 43.020 8.032 -3.560 1.00 9.65 ? 77 ARG D CA 1 ATOM 11517 C C . ARG D 1 77 ? 41.551 8.365 -3.412 1.00 10.54 ? 77 ARG D C 1 ATOM 11518 O O . ARG D 1 77 ? 41.212 9.293 -2.663 1.00 17.45 ? 77 ARG D O 1 ATOM 11519 C CB . ARG D 1 77 ? 43.736 9.251 -4.220 1.00 14.24 ? 77 ARG D CB 1 ATOM 11520 C CG . ARG D 1 77 ? 45.181 9.332 -3.993 1.00 22.72 ? 77 ARG D CG 1 ATOM 11521 C CD . ARG D 1 77 ? 45.736 10.707 -4.435 1.00 29.50 ? 77 ARG D CD 1 ATOM 11522 N NE . ARG D 1 77 ? 45.907 11.624 -3.298 1.00 32.28 ? 77 ARG D NE 1 ATOM 11523 C CZ . ARG D 1 77 ? 46.111 12.942 -3.405 1.00 31.18 ? 77 ARG D CZ 1 ATOM 11524 N NH1 . ARG D 1 77 ? 46.112 13.519 -4.598 1.00 28.19 ? 77 ARG D NH1 1 ATOM 11525 N NH2 . ARG D 1 77 ? 46.259 13.694 -2.320 1.00 23.57 ? 77 ARG D NH2 1 ATOM 11526 H H . ARG D 1 77 ? 43.621 6.172 -3.647 1.00 11.31 ? 77 ARG D H 1 ATOM 11527 H HA . ARG D 1 77 ? 43.373 7.977 -2.647 1.00 11.56 ? 77 ARG D HA 1 ATOM 11528 H HB2 . ARG D 1 77 ? 43.594 9.207 -5.179 1.00 17.08 ? 77 ARG D HB2 1 ATOM 11529 H HB3 . ARG D 1 77 ? 43.340 10.065 -3.872 1.00 17.08 ? 77 ARG D HB3 1 ATOM 11530 H HG2 . ARG D 1 77 ? 45.365 9.218 -3.047 1.00 27.26 ? 77 ARG D HG2 1 ATOM 11531 H HG3 . ARG D 1 77 ? 45.627 8.642 -4.509 1.00 27.26 ? 77 ARG D HG3 1 ATOM 11532 H HD2 . ARG D 1 77 ? 46.601 10.581 -4.855 1.00 35.39 ? 77 ARG D HD2 1 ATOM 11533 H HD3 . ARG D 1 77 ? 45.117 11.114 -5.061 1.00 35.39 ? 77 ARG D HD3 1 ATOM 11534 H HE . ARG D 1 77 ? 45.870 11.246 -2.405 1.00 38.73 ? 77 ARG D HE 1 ATOM 11535 H HH11 . ARG D 1 77 ? 46.014 13.042 -5.306 1.00 33.81 ? 77 ARG D HH11 1 ATOM 11536 H HH12 . ARG D 1 77 ? 46.234 14.368 -4.664 1.00 33.81 ? 77 ARG D HH12 1 ATOM 11537 H HH21 . ARG D 1 77 ? 46.249 13.331 -1.540 1.00 28.27 ? 77 ARG D HH21 1 ATOM 11538 H HH22 . ARG D 1 77 ? 46.375 14.543 -2.397 1.00 28.27 ? 77 ARG D HH22 1 ATOM 11539 N N . HIS D 1 78 ? 40.660 7.604 -4.052 1.00 11.90 ? 78 HIS D N 1 ATOM 11540 C CA . HIS D 1 78 ? 39.233 7.782 -3.883 1.00 10.18 ? 78 HIS D CA 1 ATOM 11541 C C . HIS D 1 78 ? 38.784 6.909 -2.719 1.00 10.86 ? 78 HIS D C 1 ATOM 11542 O O . HIS D 1 78 ? 39.420 5.919 -2.438 1.00 11.59 ? 78 HIS D O 1 ATOM 11543 C CB . HIS D 1 78 ? 38.487 7.301 -5.116 1.00 9.64 ? 78 HIS D CB 1 ATOM 11544 C CG . HIS D 1 78 ? 38.790 8.054 -6.369 1.00 13.29 ? 78 HIS D CG 1 ATOM 11545 N ND1 . HIS D 1 78 ? 37.928 8.033 -7.446 1.00 18.79 ? 78 HIS D ND1 1 ATOM 11546 C CD2 . HIS D 1 78 ? 39.848 8.812 -6.737 1.00 15.75 ? 78 HIS D CD2 1 ATOM 11547 C CE1 . HIS D 1 78 ? 38.436 8.772 -8.419 1.00 18.60 ? 78 HIS D CE1 1 ATOM 11548 N NE2 . HIS D 1 78 ? 39.594 9.260 -8.011 1.00 18.22 ? 78 HIS D NE2 1 ATOM 11549 H H . HIS D 1 78 ? 40.869 6.971 -4.595 1.00 14.27 ? 78 HIS D H 1 ATOM 11550 H HA . HIS D 1 78 ? 39.015 8.720 -3.703 1.00 12.20 ? 78 HIS D HA 1 ATOM 11551 H HB2 . HIS D 1 78 ? 38.714 6.371 -5.271 1.00 11.55 ? 78 HIS D HB2 1 ATOM 11552 H HB3 . HIS D 1 78 ? 37.534 7.380 -4.951 1.00 11.55 ? 78 HIS D HB3 1 ATOM 11553 H HD2 . HIS D 1 78 ? 40.592 9.014 -6.217 1.00 18.89 ? 78 HIS D HD2 1 ATOM 11554 H HE1 . HIS D 1 78 ? 38.044 8.924 -9.248 1.00 22.30 ? 78 HIS D HE1 1 ATOM 11555 H HE2 . HIS D 1 78 ? 40.114 9.764 -8.475 1.00 21.85 ? 78 HIS D HE2 1 ATOM 11556 N N . LYS D 1 79 ? 37.715 7.282 -2.055 1.00 9.90 ? 79 LYS D N 1 ATOM 11557 C CA A LYS D 1 79 ? 37.284 6.537 -0.876 0.52 10.05 ? 79 LYS D CA 1 ATOM 11558 C CA B LYS D 1 79 ? 37.283 6.516 -0.894 0.48 9.62 ? 79 LYS D CA 1 ATOM 11559 C C . LYS D 1 79 ? 35.790 6.248 -0.839 1.00 10.22 ? 79 LYS D C 1 ATOM 11560 O O . LYS D 1 79 ? 34.955 6.968 -1.435 1.00 11.95 ? 79 LYS D O 1 ATOM 11561 C CB A LYS D 1 79 ? 37.677 7.257 0.410 0.52 16.79 ? 79 LYS D CB 1 ATOM 11562 C CB B LYS D 1 79 ? 37.695 7.204 0.395 0.48 16.09 ? 79 LYS D CB 1 ATOM 11563 C CG A LYS D 1 79 ? 36.704 8.303 0.845 0.52 15.51 ? 79 LYS D CG 1 ATOM 11564 C CG B LYS D 1 79 ? 37.024 8.513 0.590 0.48 12.92 ? 79 LYS D CG 1 ATOM 11565 C CD A LYS D 1 79 ? 37.245 9.172 1.956 0.52 16.22 ? 79 LYS D CD 1 ATOM 11566 C CD B LYS D 1 79 ? 37.545 9.244 1.805 0.48 17.87 ? 79 LYS D CD 1 ATOM 11567 C CE A LYS D 1 79 ? 37.264 8.466 3.281 0.52 20.68 ? 79 LYS D CE 1 ATOM 11568 C CE B LYS D 1 79 ? 37.269 8.484 3.074 0.48 18.45 ? 79 LYS D CE 1 ATOM 11569 N NZ A LYS D 1 79 ? 37.636 9.414 4.377 0.52 25.92 ? 79 LYS D NZ 1 ATOM 11570 N NZ B LYS D 1 79 ? 37.596 9.300 4.285 0.48 25.11 ? 79 LYS D NZ 1 ATOM 11571 H H A LYS D 1 79 ? 37.219 7.955 -2.256 0.52 11.86 ? 79 LYS D H 1 ATOM 11572 H H B LYS D 1 79 ? 37.224 7.962 -2.245 0.48 11.86 ? 79 LYS D H 1 ATOM 11573 H HA A LYS D 1 79 ? 37.745 5.673 -0.877 0.52 12.05 ? 79 LYS D HA 1 ATOM 11574 H HA B LYS D 1 79 ? 37.733 5.646 -0.917 0.48 11.53 ? 79 LYS D HA 1 ATOM 11575 H HB2 A LYS D 1 79 ? 37.747 6.604 1.124 0.52 20.14 ? 79 LYS D HB2 1 ATOM 11576 H HB2 B LYS D 1 79 ? 37.464 6.634 1.145 0.48 19.30 ? 79 LYS D HB2 1 ATOM 11577 H HB3 A LYS D 1 79 ? 38.535 7.689 0.276 0.52 20.14 ? 79 LYS D HB3 1 ATOM 11578 H HB3 B LYS D 1 79 ? 38.653 7.358 0.379 0.48 19.30 ? 79 LYS D HB3 1 ATOM 11579 H HG2 A LYS D 1 79 ? 36.495 8.875 0.090 0.52 18.60 ? 79 LYS D HG2 1 ATOM 11580 H HG2 B LYS D 1 79 ? 37.181 9.070 -0.188 0.48 15.49 ? 79 LYS D HG2 1 ATOM 11581 H HG3 A LYS D 1 79 ? 35.898 7.870 1.168 0.52 18.60 ? 79 LYS D HG3 1 ATOM 11582 H HG3 B LYS D 1 79 ? 36.072 8.367 0.711 0.48 15.49 ? 79 LYS D HG3 1 ATOM 11583 H HD2 A LYS D 1 79 ? 38.155 9.432 1.741 0.52 19.45 ? 79 LYS D HD2 1 ATOM 11584 H HD2 B LYS D 1 79 ? 38.504 9.358 1.722 0.48 21.43 ? 79 LYS D HD2 1 ATOM 11585 H HD3 A LYS D 1 79 ? 36.686 9.960 2.043 0.52 19.45 ? 79 LYS D HD3 1 ATOM 11586 H HD3 B LYS D 1 79 ? 37.109 10.108 1.868 0.48 21.43 ? 79 LYS D HD3 1 ATOM 11587 H HE2 A LYS D 1 79 ? 36.381 8.110 3.470 0.52 24.80 ? 79 LYS D HE2 1 ATOM 11588 H HE2 B LYS D 1 79 ? 36.328 8.251 3.109 0.48 22.13 ? 79 LYS D HE2 1 ATOM 11589 H HE3 A LYS D 1 79 ? 37.919 7.752 3.258 0.52 24.80 ? 79 LYS D HE3 1 ATOM 11590 H HE3 B LYS D 1 79 ? 37.815 7.682 3.091 0.48 22.13 ? 79 LYS D HE3 1 ATOM 11591 H HZ1 A LYS D 1 79 ? 38.508 9.780 4.212 0.52 31.09 ? 79 LYS D HZ1 1 ATOM 11592 H HZ1 B LYS D 1 79 ? 38.525 9.542 4.276 0.48 30.12 ? 79 LYS D HZ1 1 ATOM 11593 H HZ2 A LYS D 1 79 ? 37.000 10.131 4.420 0.52 31.09 ? 79 LYS D HZ2 1 ATOM 11594 H HZ2 B LYS D 1 79 ? 37.066 10.101 4.294 0.48 30.12 ? 79 LYS D HZ2 1 ATOM 11595 H HZ3 A LYS D 1 79 ? 37.645 8.954 5.219 0.52 31.09 ? 79 LYS D HZ3 1 ATOM 11596 H HZ3 B LYS D 1 79 ? 37.412 8.795 5.080 0.48 30.12 ? 79 LYS D HZ3 1 ATOM 11597 N N . VAL D 1 80 ? 35.476 5.167 -0.131 1.00 8.10 ? 80 VAL D N 1 ATOM 11598 C CA . VAL D 1 80 ? 34.143 4.859 0.323 1.00 8.71 ? 80 VAL D CA 1 ATOM 11599 C C . VAL D 1 80 ? 34.197 4.533 1.820 1.00 7.89 ? 80 VAL D C 1 ATOM 11600 O O . VAL D 1 80 ? 35.240 4.140 2.359 1.00 8.18 ? 80 VAL D O 1 ATOM 11601 C CB . VAL D 1 80 ? 33.521 3.666 -0.430 1.00 9.38 ? 80 VAL D CB 1 ATOM 11602 C CG1 . VAL D 1 80 ? 33.277 4.047 -1.894 1.00 10.05 ? 80 VAL D CG1 1 ATOM 11603 C CG2 . VAL D 1 80 ? 34.390 2.426 -0.293 1.00 8.72 ? 80 VAL D CG2 1 ATOM 11604 H H . VAL D 1 80 ? 36.054 4.576 0.105 1.00 9.71 ? 80 VAL D H 1 ATOM 11605 H HA . VAL D 1 80 ? 33.566 5.641 0.195 1.00 10.45 ? 80 VAL D HA 1 ATOM 11606 H HB . VAL D 1 80 ? 32.650 3.463 -0.028 1.00 11.25 ? 80 VAL D HB 1 ATOM 11607 H HG11 . VAL D 1 80 ? 32.889 3.297 -2.352 1.00 12.05 ? 80 VAL D HG11 1 ATOM 11608 H HG12 . VAL D 1 80 ? 32.677 4.796 -1.926 1.00 12.05 ? 80 VAL D HG12 1 ATOM 11609 H HG13 . VAL D 1 80 ? 34.115 4.281 -2.300 1.00 12.05 ? 80 VAL D HG13 1 ATOM 11610 H HG21 . VAL D 1 80 ? 33.978 1.702 -0.770 1.00 10.46 ? 80 VAL D HG21 1 ATOM 11611 H HG22 . VAL D 1 80 ? 35.257 2.611 -0.661 1.00 10.46 ? 80 VAL D HG22 1 ATOM 11612 H HG23 . VAL D 1 80 ? 34.469 2.202 0.638 1.00 10.46 ? 80 VAL D HG23 1 ATOM 11613 N N . THR D 1 81 ? 33.058 4.681 2.480 1.00 8.29 ? 81 THR D N 1 ATOM 11614 C CA . THR D 1 81 ? 32.942 4.471 3.911 1.00 7.16 ? 81 THR D CA 1 ATOM 11615 C C . THR D 1 81 ? 31.635 3.729 4.189 1.00 7.57 ? 81 THR D C 1 ATOM 11616 O O . THR D 1 81 ? 30.589 4.118 3.616 1.00 9.32 ? 81 THR D O 1 ATOM 11617 C CB . THR D 1 81 ? 32.930 5.806 4.676 1.00 9.01 ? 81 THR D CB 1 ATOM 11618 O OG1 . THR D 1 81 ? 34.111 6.539 4.328 1.00 11.83 ? 81 THR D OG1 1 ATOM 11619 C CG2 . THR D 1 81 ? 32.861 5.580 6.146 1.00 11.09 ? 81 THR D CG2 1 ATOM 11620 H H . THR D 1 81 ? 32.318 4.910 2.108 1.00 9.94 ? 81 THR D H 1 ATOM 11621 H HA . THR D 1 81 ? 33.692 3.927 4.232 1.00 8.58 ? 81 THR D HA 1 ATOM 11622 H HB . THR D 1 81 ? 32.149 6.317 4.412 1.00 10.80 ? 81 THR D HB 1 ATOM 11623 H HG1 . THR D 1 81 ? 34.779 6.109 4.533 1.00 14.19 ? 81 THR D HG1 1 ATOM 11624 H HG21 . THR D 1 81 ? 32.854 6.422 6.607 1.00 13.30 ? 81 THR D HG21 1 ATOM 11625 H HG22 . THR D 1 81 ? 32.062 5.097 6.366 1.00 13.30 ? 81 THR D HG22 1 ATOM 11626 H HG23 . THR D 1 81 ? 33.623 5.072 6.435 1.00 13.30 ? 81 THR D HG23 1 ATOM 11627 N N . SER D 1 82 ? 31.641 2.695 5.036 1.00 7.78 ? 82 SER D N 1 ATOM 11628 C CA . SER D 1 82 ? 30.419 2.055 5.481 1.00 7.64 ? 82 SER D CA 1 ATOM 11629 C C . SER D 1 82 ? 30.422 1.928 7.004 1.00 7.57 ? 82 SER D C 1 ATOM 11630 O O . SER D 1 82 ? 31.469 1.903 7.657 1.00 8.44 ? 82 SER D O 1 ATOM 11631 C CB . SER D 1 82 ? 30.173 0.718 4.792 1.00 12.78 ? 82 SER D CB 1 ATOM 11632 O OG . SER D 1 82 ? 29.712 0.990 3.464 1.00 12.89 ? 82 SER D OG 1 ATOM 11633 H H . SER D 1 82 ? 32.355 2.346 5.366 1.00 9.32 ? 82 SER D H 1 ATOM 11634 H HA . SER D 1 82 ? 29.669 2.640 5.245 1.00 9.15 ? 82 SER D HA 1 ATOM 11635 H HB2 . SER D 1 82 ? 31.001 0.215 4.752 1.00 15.32 ? 82 SER D HB2 1 ATOM 11636 H HB3 . SER D 1 82 ? 29.495 0.222 5.276 1.00 15.32 ? 82 SER D HB3 1 ATOM 11637 H HG . SER D 1 82 ? 29.570 0.287 3.067 1.00 15.46 ? 82 SER D HG 1 ATOM 11638 N N . LYS D 1 83 ? 29.223 1.823 7.557 1.00 7.43 ? 83 LYS D N 1 ATOM 11639 C CA . LYS D 1 83 ? 29.005 1.857 8.989 1.00 7.77 ? 83 LYS D CA 1 ATOM 11640 C C . LYS D 1 83 ? 28.531 0.534 9.555 1.00 7.67 ? 83 LYS D C 1 ATOM 11641 O O . LYS D 1 83 ? 27.905 -0.279 8.850 1.00 8.32 ? 83 LYS D O 1 ATOM 11642 C CB . LYS D 1 83 ? 27.963 2.922 9.339 1.00 8.05 ? 83 LYS D CB 1 ATOM 11643 C CG . LYS D 1 83 ? 28.365 4.296 8.883 1.00 10.42 ? 83 LYS D CG 1 ATOM 11644 C CD . LYS D 1 83 ? 27.400 5.359 9.374 1.00 15.79 ? 83 LYS D CD 1 ATOM 11645 C CE . LYS D 1 83 ? 27.923 6.748 8.981 1.00 22.85 ? 83 LYS D CE 1 ATOM 11646 N NZ . LYS D 1 83 ? 27.203 7.885 9.672 1.00 23.33 ? 83 LYS D NZ 1 ATOM 11647 H H . LYS D 1 83 ? 28.498 1.729 7.104 1.00 8.90 ? 83 LYS D H 1 ATOM 11648 H HA . LYS D 1 83 ? 29.845 2.094 9.435 1.00 9.31 ? 83 LYS D HA 1 ATOM 11649 H HB2 . LYS D 1 83 ? 27.123 2.696 8.909 1.00 9.65 ? 83 LYS D HB2 1 ATOM 11650 H HB3 . LYS D 1 83 ? 27.847 2.947 10.301 1.00 9.65 ? 83 LYS D HB3 1 ATOM 11651 H HG2 . LYS D 1 83 ? 29.246 4.502 9.231 1.00 12.50 ? 83 LYS D HG2 1 ATOM 11652 H HG3 . LYS D 1 83 ? 28.374 4.320 7.913 1.00 12.50 ? 83 LYS D HG3 1 ATOM 11653 H HD2 . LYS D 1 83 ? 26.532 5.226 8.962 1.00 18.93 ? 83 LYS D HD2 1 ATOM 11654 H HD3 . LYS D 1 83 ? 27.331 5.315 10.340 1.00 18.93 ? 83 LYS D HD3 1 ATOM 11655 H HE2 . LYS D 1 83 ? 28.863 6.807 9.214 1.00 27.41 ? 83 LYS D HE2 1 ATOM 11656 H HE3 . LYS D 1 83 ? 27.813 6.865 8.024 1.00 27.41 ? 83 LYS D HE3 1 ATOM 11657 H HZ1 . LYS D 1 83 ? 27.302 7.805 10.624 1.00 27.98 ? 83 LYS D HZ1 1 ATOM 11658 H HZ2 . LYS D 1 83 ? 27.570 8.726 9.389 1.00 27.98 ? 83 LYS D HZ2 1 ATOM 11659 H HZ3 . LYS D 1 83 ? 26.268 7.863 9.452 1.00 27.98 ? 83 LYS D HZ3 1 ATOM 11660 N N . VAL D 1 84 ? 28.804 0.308 10.837 1.00 8.17 ? 84 VAL D N 1 ATOM 11661 C CA . VAL D 1 84 ? 28.382 -0.907 11.503 1.00 7.31 ? 84 VAL D CA 1 ATOM 11662 C C . VAL D 1 84 ? 28.193 -0.633 12.986 1.00 9.01 ? 84 VAL D C 1 ATOM 11663 O O . VAL D 1 84 ? 28.850 0.273 13.544 1.00 9.72 ? 84 VAL D O 1 ATOM 11664 C CB . VAL D 1 84 ? 29.425 -2.019 11.284 1.00 9.48 ? 84 VAL D CB 1 ATOM 11665 C CG1 . VAL D 1 84 ? 30.742 -1.675 11.942 1.00 11.04 ? 84 VAL D CG1 1 ATOM 11666 C CG2 . VAL D 1 84 ? 28.891 -3.352 11.753 1.00 11.14 ? 84 VAL D CG2 1 ATOM 11667 H H . VAL D 1 84 ? 29.238 0.852 11.343 1.00 9.79 ? 84 VAL D H 1 ATOM 11668 H HA . VAL D 1 84 ? 27.526 -1.205 11.129 1.00 8.76 ? 84 VAL D HA 1 ATOM 11669 H HB . VAL D 1 84 ? 29.593 -2.096 10.322 1.00 11.37 ? 84 VAL D HB 1 ATOM 11670 H HG11 . VAL D 1 84 ? 31.365 -2.388 11.785 1.00 13.24 ? 84 VAL D HG11 1 ATOM 11671 H HG12 . VAL D 1 84 ? 31.076 -0.858 11.563 1.00 13.24 ? 84 VAL D HG12 1 ATOM 11672 H HG13 . VAL D 1 84 ? 30.600 -1.564 12.885 1.00 13.24 ? 84 VAL D HG13 1 ATOM 11673 H HG21 . VAL D 1 84 ? 29.560 -4.025 11.605 1.00 13.35 ? 84 VAL D HG21 1 ATOM 11674 H HG22 . VAL D 1 84 ? 28.685 -3.295 12.689 1.00 13.35 ? 84 VAL D HG22 1 ATOM 11675 H HG23 . VAL D 1 84 ? 28.098 -3.563 11.255 1.00 13.35 ? 84 VAL D HG23 1 ATOM 11676 N N . ILE D 1 85 ? 27.296 -1.384 13.617 1.00 8.73 ? 85 ILE D N 1 ATOM 11677 C CA . ILE D 1 85 ? 27.157 -1.403 15.054 1.00 10.55 ? 85 ILE D CA 1 ATOM 11678 C C . ILE D 1 85 ? 28.266 -2.276 15.648 1.00 11.07 ? 85 ILE D C 1 ATOM 11679 O O . ILE D 1 85 ? 28.388 -3.451 15.320 1.00 12.47 ? 85 ILE D O 1 ATOM 11680 C CB . ILE D 1 85 ? 25.803 -2.013 15.424 1.00 10.79 ? 85 ILE D CB 1 ATOM 11681 C CG1 . ILE D 1 85 ? 24.668 -1.152 14.855 1.00 12.08 ? 85 ILE D CG1 1 ATOM 11682 C CG2 . ILE D 1 85 ? 25.719 -2.157 16.934 1.00 13.04 ? 85 ILE D CG2 1 ATOM 11683 C CD1 . ILE D 1 85 ? 23.271 -1.826 14.946 1.00 13.75 ? 85 ILE D CD1 1 ATOM 11684 H H . ILE D 1 85 ? 26.743 -1.905 13.214 1.00 10.46 ? 85 ILE D H 1 ATOM 11685 H HA . ILE D 1 85 ? 27.220 -0.495 15.419 1.00 12.65 ? 85 ILE D HA 1 ATOM 11686 H HB . ILE D 1 85 ? 25.746 -2.896 15.028 1.00 12.94 ? 85 ILE D HB 1 ATOM 11687 H HG12 . ILE D 1 85 ? 24.628 -0.319 15.350 1.00 14.49 ? 85 ILE D HG12 1 ATOM 11688 H HG13 . ILE D 1 85 ? 24.850 -0.972 13.920 1.00 14.49 ? 85 ILE D HG13 1 ATOM 11689 H HG21 . ILE D 1 85 ? 24.869 -2.539 17.165 1.00 15.64 ? 85 ILE D HG21 1 ATOM 11690 H HG22 . ILE D 1 85 ? 26.429 -2.730 17.233 1.00 15.64 ? 85 ILE D HG22 1 ATOM 11691 H HG23 . ILE D 1 85 ? 25.807 -1.289 17.336 1.00 15.64 ? 85 ILE D HG23 1 ATOM 11692 H HD11 . ILE D 1 85 ? 22.614 -1.234 14.574 1.00 16.49 ? 85 ILE D HD11 1 ATOM 11693 H HD12 . ILE D 1 85 ? 23.289 -2.649 14.452 1.00 16.49 ? 85 ILE D HD12 1 ATOM 11694 H HD13 . ILE D 1 85 ? 23.069 -2.002 15.868 1.00 16.49 ? 85 ILE D HD13 1 ATOM 11695 N N . GLU D 1 86 ? 29.065 -1.686 16.548 1.00 12.65 ? 86 GLU D N 1 ATOM 11696 C CA . GLU D 1 86 ? 30.112 -2.447 17.220 1.00 12.45 ? 86 GLU D CA 1 ATOM 11697 C C . GLU D 1 86 ? 30.289 -1.930 18.645 1.00 11.30 ? 86 GLU D C 1 ATOM 11698 O O . GLU D 1 86 ? 30.010 -0.782 18.921 1.00 15.92 ? 86 GLU D O 1 ATOM 11699 C CB . GLU D 1 86 ? 31.459 -2.431 16.460 1.00 18.91 ? 86 GLU D CB 1 ATOM 11700 C CG . GLU D 1 86 ? 32.064 -1.068 16.259 1.00 21.68 ? 86 GLU D CG 1 ATOM 11701 C CD . GLU D 1 86 ? 33.347 -1.070 15.365 1.00 20.77 ? 86 GLU D CD 1 ATOM 11702 O OE1 . GLU D 1 86 ? 33.613 -2.083 14.580 1.00 14.49 ? 86 GLU D OE1 1 ATOM 11703 O OE2 . GLU D 1 86 ? 34.069 -0.024 15.481 1.00 14.93 ? 86 GLU D OE2 1 ATOM 11704 H H . GLU D 1 86 ? 29.018 -0.859 16.780 1.00 15.17 ? 86 GLU D H 1 ATOM 11705 H HA . GLU D 1 86 ? 29.823 -3.381 17.282 1.00 14.92 ? 86 GLU D HA 1 ATOM 11706 H HB2 . GLU D 1 86 ? 32.099 -2.964 16.957 1.00 22.68 ? 86 GLU D HB2 1 ATOM 11707 H HB3 . GLU D 1 86 ? 31.322 -2.822 15.583 1.00 22.68 ? 86 GLU D HB3 1 ATOM 11708 H HG2 . GLU D 1 86 ? 31.407 -0.495 15.833 1.00 26.01 ? 86 GLU D HG2 1 ATOM 11709 H HG3 . GLU D 1 86 ? 32.306 -0.704 17.124 1.00 26.01 ? 86 GLU D HG3 1 ATOM 11710 N N . LYS D 1 87 ? 30.735 -2.820 19.514 1.00 13.58 ? 87 LYS D N 1 ATOM 11711 C CA . LYS D 1 87 ? 31.112 -2.438 20.862 1.00 14.28 ? 87 LYS D CA 1 ATOM 11712 C C . LYS D 1 87 ? 32.487 -1.813 20.827 1.00 12.25 ? 87 LYS D C 1 ATOM 11713 O O . LYS D 1 87 ? 33.271 -2.031 19.912 1.00 14.16 ? 87 LYS D O 1 ATOM 11714 C CB . LYS D 1 87 ? 31.160 -3.681 21.742 1.00 16.80 ? 87 LYS D CB 1 ATOM 11715 C CG . LYS D 1 87 ? 29.806 -4.395 21.860 1.00 24.17 ? 87 LYS D CG 1 ATOM 11716 C CD . LYS D 1 87 ? 29.913 -5.581 22.821 1.00 30.03 ? 87 LYS D CD 1 ATOM 11717 C CE . LYS D 1 87 ? 28.587 -6.363 22.938 1.00 39.51 ? 87 LYS D CE 1 ATOM 11718 N NZ . LYS D 1 87 ? 28.696 -7.543 23.875 1.00 48.42 ? 87 LYS D NZ 1 ATOM 11719 H H . LYS D 1 87 ? 30.829 -3.659 19.346 1.00 16.28 ? 87 LYS D H 1 ATOM 11720 H HA . LYS D 1 87 ? 30.468 -1.797 21.232 1.00 17.13 ? 87 LYS D HA 1 ATOM 11721 H HB2 . LYS D 1 87 ? 31.797 -4.308 21.365 1.00 20.15 ? 87 LYS D HB2 1 ATOM 11722 H HB3 . LYS D 1 87 ? 31.440 -3.423 22.634 1.00 20.15 ? 87 LYS D HB3 1 ATOM 11723 H HG2 . LYS D 1 87 ? 29.143 -3.777 22.205 1.00 29.00 ? 87 LYS D HG2 1 ATOM 11724 H HG3 . LYS D 1 87 ? 29.539 -4.728 20.989 1.00 29.00 ? 87 LYS D HG3 1 ATOM 11725 H HD2 . LYS D 1 87 ? 30.595 -6.191 22.498 1.00 36.02 ? 87 LYS D HD2 1 ATOM 11726 H HD3 . LYS D 1 87 ? 30.148 -5.254 23.703 1.00 36.02 ? 87 LYS D HD3 1 ATOM 11727 H HE2 . LYS D 1 87 ? 27.898 -5.771 23.278 1.00 47.39 ? 87 LYS D HE2 1 ATOM 11728 H HE3 . LYS D 1 87 ? 28.336 -6.696 22.062 1.00 47.39 ? 87 LYS D HE3 1 ATOM 11729 H HZ1 . LYS D 1 87 ? 27.854 -8.004 23.922 1.00 58.09 ? 87 LYS D HZ1 1 ATOM 11730 H HZ2 . LYS D 1 87 ? 29.367 -8.152 23.559 1.00 58.09 ? 87 LYS D HZ2 1 ATOM 11731 H HZ3 . LYS D 1 87 ? 28.936 -7.243 24.754 1.00 58.09 ? 87 LYS D HZ3 1 ATOM 11732 N N . PHE D 1 88 ? 32.767 -1.035 21.853 1.00 12.02 ? 88 PHE D N 1 ATOM 11733 C CA . PHE D 1 88 ? 34.078 -0.419 21.987 1.00 10.03 ? 88 PHE D CA 1 ATOM 11734 C C . PHE D 1 88 ? 34.571 -0.377 23.428 1.00 9.75 ? 88 PHE D C 1 ATOM 11735 O O . PHE D 1 88 ? 33.848 0.091 24.303 1.00 11.31 ? 88 PHE D O 1 ATOM 11736 C CB . PHE D 1 88 ? 34.064 1.019 21.482 1.00 10.67 ? 88 PHE D CB 1 ATOM 11737 C CG . PHE D 1 88 ? 35.341 1.751 21.773 1.00 10.79 ? 88 PHE D CG 1 ATOM 11738 C CD1 . PHE D 1 88 ? 36.464 1.556 20.976 1.00 14.07 ? 88 PHE D CD1 1 ATOM 11739 C CD2 . PHE D 1 88 ? 35.450 2.566 22.872 1.00 10.71 ? 88 PHE D CD2 1 ATOM 11740 C CE1 . PHE D 1 88 ? 37.664 2.186 21.270 1.00 11.67 ? 88 PHE D CE1 1 ATOM 11741 C CE2 . PHE D 1 88 ? 36.639 3.192 23.185 1.00 12.72 ? 88 PHE D CE2 1 ATOM 11742 C CZ . PHE D 1 88 ? 37.766 2.984 22.383 1.00 12.27 ? 88 PHE D CZ 1 ATOM 11743 H H . PHE D 1 88 ? 32.219 -0.846 22.487 1.00 14.41 ? 88 PHE D H 1 ATOM 11744 H HA . PHE D 1 88 ? 34.728 -0.924 21.455 1.00 12.02 ? 88 PHE D HA 1 ATOM 11745 H HB2 . PHE D 1 88 ? 33.933 1.014 20.521 1.00 12.79 ? 88 PHE D HB2 1 ATOM 11746 H HB3 . PHE D 1 88 ? 33.339 1.497 21.913 1.00 12.79 ? 88 PHE D HB3 1 ATOM 11747 H HD1 . PHE D 1 88 ? 36.409 0.994 20.237 1.00 16.88 ? 88 PHE D HD1 1 ATOM 11748 H HD2 . PHE D 1 88 ? 34.713 2.684 23.427 1.00 12.84 ? 88 PHE D HD2 1 ATOM 11749 H HE1 . PHE D 1 88 ? 38.406 2.052 20.725 1.00 14.00 ? 88 PHE D HE1 1 ATOM 11750 H HE2 . PHE D 1 88 ? 36.693 3.747 23.930 1.00 15.26 ? 88 PHE D HE2 1 ATOM 11751 H HZ . PHE D 1 88 ? 38.561 3.430 22.567 1.00 14.72 ? 88 PHE D HZ 1 ATOM 11752 N N . PRO D 1 89 ? 35.815 -0.815 23.686 1.00 7.93 ? 89 PRO D N 1 ATOM 11753 C CA . PRO D 1 89 ? 36.704 -1.505 22.747 1.00 7.24 ? 89 PRO D CA 1 ATOM 11754 C C . PRO D 1 89 ? 36.279 -2.938 22.557 1.00 9.93 ? 89 PRO D C 1 ATOM 11755 O O . PRO D 1 89 ? 35.656 -3.554 23.421 1.00 10.70 ? 89 PRO D O 1 ATOM 11756 C CB . PRO D 1 89 ? 38.076 -1.492 23.475 1.00 10.97 ? 89 PRO D CB 1 ATOM 11757 C CG . PRO D 1 89 ? 37.891 -0.717 24.699 1.00 15.34 ? 89 PRO D CG 1 ATOM 11758 C CD . PRO D 1 89 ? 36.460 -0.569 24.987 1.00 10.57 ? 89 PRO D CD 1 ATOM 11759 H HA . PRO D 1 89 ? 36.761 -1.039 21.888 1.00 8.68 ? 89 PRO D HA 1 ATOM 11760 H HB2 . PRO D 1 89 ? 38.338 -2.401 23.686 1.00 13.16 ? 89 PRO D HB2 1 ATOM 11761 H HB3 . PRO D 1 89 ? 38.739 -1.071 22.905 1.00 13.16 ? 89 PRO D HB3 1 ATOM 11762 H HG2 . PRO D 1 89 ? 38.327 -1.180 25.431 1.00 18.39 ? 89 PRO D HG2 1 ATOM 11763 H HG3 . PRO D 1 89 ? 38.293 0.158 24.579 1.00 18.39 ? 89 PRO D HG3 1 ATOM 11764 H HD2 . PRO D 1 89 ? 36.177 -1.232 25.635 1.00 12.67 ? 89 PRO D HD2 1 ATOM 11765 H HD3 . PRO D 1 89 ? 36.269 0.331 25.293 1.00 12.67 ? 89 PRO D HD3 1 ATOM 11766 N N . ALA D 1 90 ? 36.683 -3.505 21.429 1.00 9.47 ? 90 ALA D N 1 ATOM 11767 C CA . ALA D 1 90 ? 36.426 -4.908 21.179 1.00 10.46 ? 90 ALA D CA 1 ATOM 11768 C C . ALA D 1 90 ? 37.287 -5.428 20.047 1.00 7.95 ? 90 ALA D C 1 ATOM 11769 O O . ALA D 1 90 ? 37.534 -4.726 19.077 1.00 10.17 ? 90 ALA D O 1 ATOM 11770 C CB . ALA D 1 90 ? 34.977 -5.094 20.795 1.00 13.93 ? 90 ALA D CB 1 ATOM 11771 H H . ALA D 1 90 ? 37.105 -3.101 20.798 1.00 11.35 ? 90 ALA D H 1 ATOM 11772 H HA . ALA D 1 90 ? 36.611 -5.431 21.987 1.00 12.54 ? 90 ALA D HA 1 ATOM 11773 H HB1 . ALA D 1 90 ? 34.815 -6.025 20.631 1.00 16.70 ? 90 ALA D HB1 1 ATOM 11774 H HB2 . ALA D 1 90 ? 34.421 -4.786 21.514 1.00 16.70 ? 90 ALA D HB2 1 ATOM 11775 H HB3 . ALA D 1 90 ? 34.797 -4.585 20.001 1.00 16.70 ? 90 ALA D HB3 1 ATOM 11776 N N . PRO D 1 91 ? 37.743 -6.675 20.160 1.00 7.89 ? 91 PRO D N 1 ATOM 11777 C CA . PRO D 1 91 ? 38.377 -7.300 18.997 1.00 8.06 ? 91 PRO D CA 1 ATOM 11778 C C . PRO D 1 91 ? 37.452 -7.323 17.824 1.00 9.24 ? 91 PRO D C 1 ATOM 11779 O O . PRO D 1 91 ? 36.231 -7.414 17.976 1.00 10.20 ? 91 PRO D O 1 ATOM 11780 C CB . PRO D 1 91 ? 38.610 -8.729 19.454 1.00 10.17 ? 91 PRO D CB 1 ATOM 11781 C CG . PRO D 1 91 ? 38.666 -8.636 20.987 1.00 11.76 ? 91 PRO D CG 1 ATOM 11782 C CD . PRO D 1 91 ? 37.663 -7.605 21.301 1.00 9.69 ? 91 PRO D CD 1 ATOM 11783 H HA . PRO D 1 91 ? 39.225 -6.866 18.767 1.00 9.66 ? 91 PRO D HA 1 ATOM 11784 H HB2 . PRO D 1 91 ? 37.872 -9.290 19.168 1.00 12.19 ? 91 PRO D HB2 1 ATOM 11785 H HB3 . PRO D 1 91 ? 39.451 -9.055 19.097 1.00 12.19 ? 91 PRO D HB3 1 ATOM 11786 H HG2 . PRO D 1 91 ? 38.423 -9.489 21.380 1.00 14.10 ? 91 PRO D HG2 1 ATOM 11787 H HG3 . PRO D 1 91 ? 39.551 -8.360 21.271 1.00 14.10 ? 91 PRO D HG3 1 ATOM 11788 H HD2 . PRO D 1 91 ? 36.778 -8.000 21.353 1.00 11.61 ? 91 PRO D HD2 1 ATOM 11789 H HD3 . PRO D 1 91 ? 37.896 -7.149 22.125 1.00 11.61 ? 91 PRO D HD3 1 ATOM 11790 N N . VAL D 1 92 ? 38.029 -7.247 16.628 1.00 7.18 ? 92 VAL D N 1 ATOM 11791 C CA . VAL D 1 92 ? 37.253 -7.288 15.426 1.00 8.24 ? 92 VAL D CA 1 ATOM 11792 C C . VAL D 1 92 ? 37.945 -8.161 14.376 1.00 6.99 ? 92 VAL D C 1 ATOM 11793 O O . VAL D 1 92 ? 39.170 -8.228 14.301 1.00 9.21 ? 92 VAL D O 1 ATOM 11794 C CB . VAL D 1 92 ? 36.979 -5.857 14.923 1.00 9.24 ? 92 VAL D CB 1 ATOM 11795 C CG1 . VAL D 1 92 ? 38.240 -5.150 14.491 1.00 10.86 ? 92 VAL D CG1 1 ATOM 11796 C CG2 . VAL D 1 92 ? 35.898 -5.837 13.839 1.00 11.95 ? 92 VAL D CG2 1 ATOM 11797 H H . VAL D 1 92 ? 38.876 -7.172 16.499 1.00 8.61 ? 92 VAL D H 1 ATOM 11798 H HA . VAL D 1 92 ? 36.387 -7.700 15.628 1.00 9.87 ? 92 VAL D HA 1 ATOM 11799 H HB . VAL D 1 92 ? 36.622 -5.345 15.678 1.00 11.08 ? 92 VAL D HB 1 ATOM 11800 H HG11 . VAL D 1 92 ? 38.015 -4.267 14.188 1.00 13.02 ? 92 VAL D HG11 1 ATOM 11801 H HG12 . VAL D 1 92 ? 38.840 -5.097 15.239 1.00 13.02 ? 92 VAL D HG12 1 ATOM 11802 H HG13 . VAL D 1 92 ? 38.648 -5.647 13.779 1.00 13.02 ? 92 VAL D HG13 1 ATOM 11803 H HG21 . VAL D 1 92 ? 35.758 -4.931 13.554 1.00 14.33 ? 92 VAL D HG21 1 ATOM 11804 H HG22 . VAL D 1 92 ? 36.190 -6.373 13.098 1.00 14.33 ? 92 VAL D HG22 1 ATOM 11805 H HG23 . VAL D 1 92 ? 35.085 -6.195 14.203 1.00 14.33 ? 92 VAL D HG23 1 ATOM 11806 N N . HIS D 1 93 ? 37.125 -8.792 13.539 1.00 7.42 ? 93 HIS D N 1 ATOM 11807 C CA . HIS D 1 93 ? 37.623 -9.438 12.328 1.00 7.29 ? 93 HIS D CA 1 ATOM 11808 C C . HIS D 1 93 ? 37.086 -8.610 11.150 1.00 6.90 ? 93 HIS D C 1 ATOM 11809 O O . HIS D 1 93 ? 35.895 -8.306 11.068 1.00 7.35 ? 93 HIS D O 1 ATOM 11810 C CB . HIS D 1 93 ? 37.131 -10.874 12.215 1.00 7.49 ? 93 HIS D CB 1 ATOM 11811 C CG . HIS D 1 93 ? 37.688 -11.578 11.015 1.00 7.45 ? 93 HIS D CG 1 ATOM 11812 N ND1 . HIS D 1 93 ? 37.012 -11.680 9.823 1.00 8.63 ? 93 HIS D ND1 1 ATOM 11813 C CD2 . HIS D 1 93 ? 38.917 -12.114 10.803 1.00 8.37 ? 93 HIS D CD2 1 ATOM 11814 C CE1 . HIS D 1 93 ? 37.793 -12.289 8.942 1.00 9.52 ? 93 HIS D CE1 1 ATOM 11815 N NE2 . HIS D 1 93 ? 38.939 -12.568 9.517 1.00 9.06 ? 93 HIS D NE2 1 ATOM 11816 H H . HIS D 1 93 ? 36.275 -8.861 13.649 1.00 8.89 ? 93 HIS D H 1 ATOM 11817 H HA . HIS D 1 93 ? 38.603 -9.427 12.313 1.00 8.74 ? 93 HIS D HA 1 ATOM 11818 H HB2 . HIS D 1 93 ? 37.403 -11.366 13.005 1.00 8.98 ? 93 HIS D HB2 1 ATOM 11819 H HB3 . HIS D 1 93 ? 36.163 -10.873 12.140 1.00 8.98 ? 93 HIS D HB3 1 ATOM 11820 H HD2 . HIS D 1 93 ? 39.604 -12.183 11.425 1.00 10.03 ? 93 HIS D HD2 1 ATOM 11821 H HE1 . HIS D 1 93 ? 37.557 -12.507 8.069 1.00 11.41 ? 93 HIS D HE1 1 ATOM 11822 H HE2 . HIS D 1 93 ? 39.600 -12.972 9.142 1.00 10.87 ? 93 HIS D HE2 1 ATOM 11823 N N . ILE D 1 94 ? 37.986 -8.178 10.277 1.00 6.70 ? 94 ILE D N 1 ATOM 11824 C CA . ILE D 1 94 ? 37.674 -7.309 9.146 1.00 7.95 ? 94 ILE D CA 1 ATOM 11825 C C . ILE D 1 94 ? 38.055 -7.982 7.849 1.00 8.57 ? 94 ILE D C 1 ATOM 11826 O O . ILE D 1 94 ? 39.161 -8.491 7.721 1.00 10.46 ? 94 ILE D O 1 ATOM 11827 C CB . ILE D 1 94 ? 38.476 -6.007 9.248 1.00 10.66 ? 94 ILE D CB 1 ATOM 11828 C CG1 . ILE D 1 94 ? 38.109 -5.277 10.535 1.00 11.23 ? 94 ILE D CG1 1 ATOM 11829 C CG2 . ILE D 1 94 ? 38.253 -5.117 7.989 1.00 12.33 ? 94 ILE D CG2 1 ATOM 11830 C CD1 . ILE D 1 94 ? 39.130 -4.182 10.896 1.00 14.35 ? 94 ILE D CD1 1 ATOM 11831 H H . ILE D 1 94 ? 38.820 -8.383 10.321 1.00 8.03 ? 94 ILE D H 1 ATOM 11832 H HA . ILE D 1 94 ? 36.717 -7.099 9.132 1.00 9.53 ? 94 ILE D HA 1 ATOM 11833 H HB . ILE D 1 94 ? 39.417 -6.236 9.291 1.00 12.78 ? 94 ILE D HB 1 ATOM 11834 H HG12 . ILE D 1 94 ? 37.242 -4.857 10.426 1.00 13.47 ? 94 ILE D HG12 1 ATOM 11835 H HG13 . ILE D 1 94 ? 38.081 -5.915 11.265 1.00 13.47 ? 94 ILE D HG13 1 ATOM 11836 H HG21 . ILE D 1 94 ? 38.767 -4.311 8.083 1.00 14.78 ? 94 ILE D HG21 1 ATOM 11837 H HG22 . ILE D 1 94 ? 38.540 -5.600 7.211 1.00 14.78 ? 94 ILE D HG22 1 ATOM 11838 H HG23 . ILE D 1 94 ? 37.320 -4.905 7.918 1.00 14.78 ? 94 ILE D HG23 1 ATOM 11839 H HD11 . ILE D 1 94 ? 38.855 -3.754 11.710 1.00 17.21 ? 94 ILE D HD11 1 ATOM 11840 H HD12 . ILE D 1 94 ? 39.993 -4.586 11.013 1.00 17.21 ? 94 ILE D HD12 1 ATOM 11841 H HD13 . ILE D 1 94 ? 39.163 -3.539 10.183 1.00 17.21 ? 94 ILE D HD13 1 ATOM 11842 N N . CYS D 1 95 ? 37.123 -8.056 6.892 1.00 8.78 ? 95 CYS D N 1 ATOM 11843 C CA . CYS D 1 95 ? 37.431 -8.464 5.532 1.00 7.96 ? 95 CYS D CA 1 ATOM 11844 C C . CYS D 1 95 ? 36.945 -7.334 4.642 1.00 9.16 ? 95 CYS D C 1 ATOM 11845 O O . CYS D 1 95 ? 35.876 -6.766 4.855 1.00 9.61 ? 95 CYS D O 1 ATOM 11846 C CB . CYS D 1 95 ? 36.747 -9.758 5.096 1.00 12.59 ? 95 CYS D CB 1 ATOM 11847 S SG . CYS D 1 95 ? 37.428 -11.340 5.708 1.00 20.65 ? 95 CYS D SG 1 ATOM 11848 H H . CYS D 1 95 ? 36.293 -7.870 7.016 1.00 10.52 ? 95 CYS D H 1 ATOM 11849 H HA . CYS D 1 95 ? 38.400 -8.562 5.423 1.00 9.55 ? 95 CYS D HA 1 ATOM 11850 H HB2 . CYS D 1 95 ? 35.822 -9.718 5.387 1.00 15.09 ? 95 CYS D HB2 1 ATOM 11851 H HB3 . CYS D 1 95 ? 36.772 -9.796 4.127 1.00 15.09 ? 95 CYS D HB3 1 ATOM 11852 N N . VAL D 1 96 ? 37.739 -7.000 3.635 1.00 7.55 ? 96 VAL D N 1 ATOM 11853 C CA . VAL D 1 96 ? 37.267 -6.114 2.599 1.00 7.72 ? 96 VAL D CA 1 ATOM 11854 C C . VAL D 1 96 ? 37.719 -6.591 1.243 1.00 7.70 ? 96 VAL D C 1 ATOM 11855 O O . VAL D 1 96 ? 38.850 -7.048 1.069 1.00 8.80 ? 96 VAL D O 1 ATOM 11856 C CB . VAL D 1 96 ? 37.741 -4.675 2.903 1.00 9.20 ? 96 VAL D CB 1 ATOM 11857 C CG1 . VAL D 1 96 ? 39.257 -4.587 2.956 1.00 13.97 ? 96 VAL D CG1 1 ATOM 11858 C CG2 . VAL D 1 96 ? 37.148 -3.696 1.907 1.00 12.53 ? 96 VAL D CG2 1 ATOM 11859 H H . VAL D 1 96 ? 38.547 -7.273 3.532 1.00 9.05 ? 96 VAL D H 1 ATOM 11860 H HA . VAL D 1 96 ? 36.287 -6.114 2.605 1.00 9.25 ? 96 VAL D HA 1 ATOM 11861 H HB . VAL D 1 96 ? 37.406 -4.425 3.789 1.00 11.02 ? 96 VAL D HB 1 ATOM 11862 H HG11 . VAL D 1 96 ? 39.510 -3.680 3.146 1.00 16.76 ? 96 VAL D HG11 1 ATOM 11863 H HG12 . VAL D 1 96 ? 39.579 -5.169 3.647 1.00 16.76 ? 96 VAL D HG12 1 ATOM 11864 H HG13 . VAL D 1 96 ? 39.615 -4.856 2.107 1.00 16.76 ? 96 VAL D HG13 1 ATOM 11865 H HG21 . VAL D 1 96 ? 37.457 -2.811 2.118 1.00 15.03 ? 96 VAL D HG21 1 ATOM 11866 H HG22 . VAL D 1 96 ? 37.430 -3.940 1.023 1.00 15.03 ? 96 VAL D HG22 1 ATOM 11867 H HG23 . VAL D 1 96 ? 36.190 -3.731 1.967 1.00 15.03 ? 96 VAL D HG23 1 ATOM 11868 N N . SER D 1 97 ? 36.798 -6.558 0.303 1.00 8.47 ? 97 SER D N 1 ATOM 11869 C CA . SER D 1 97 ? 37.115 -6.916 -1.068 1.00 7.30 ? 97 SER D CA 1 ATOM 11870 C C . SER D 1 97 ? 36.766 -5.776 -1.992 1.00 7.52 ? 97 SER D C 1 ATOM 11871 O O . SER D 1 97 ? 35.920 -4.918 -1.668 1.00 8.04 ? 97 SER D O 1 ATOM 11872 C CB . SER D 1 97 ? 36.343 -8.154 -1.510 1.00 9.64 ? 97 SER D CB 1 ATOM 11873 O OG . SER D 1 97 ? 34.963 -7.877 -1.595 1.00 9.71 ? 97 SER D OG 1 ATOM 11874 H H . SER D 1 97 ? 35.978 -6.330 0.429 1.00 10.16 ? 97 SER D H 1 ATOM 11875 H HA . SER D 1 97 ? 38.075 -7.101 -1.147 1.00 8.75 ? 97 SER D HA 1 ATOM 11876 H HB2 . SER D 1 97 ? 36.664 -8.433 -2.382 1.00 11.56 ? 97 SER D HB2 1 ATOM 11877 H HB3 . SER D 1 97 ? 36.484 -8.863 -0.863 1.00 11.56 ? 97 SER D HB3 1 ATOM 11878 H HG . SER D 1 97 ? 34.557 -8.548 -1.833 1.00 11.64 ? 97 SER D HG 1 ATOM 11879 N N . TRP D 1 98 ? 37.393 -5.756 -3.166 1.00 7.81 ? 98 TRP D N 1 ATOM 11880 C CA . TRP D 1 98 ? 37.082 -4.794 -4.211 1.00 8.14 ? 98 TRP D CA 1 ATOM 11881 C C . TRP D 1 98 ? 37.292 -5.436 -5.578 1.00 7.22 ? 98 TRP D C 1 ATOM 11882 O O . TRP D 1 98 ? 38.187 -6.275 -5.746 1.00 8.27 ? 98 TRP D O 1 ATOM 11883 C CB . TRP D 1 98 ? 37.969 -3.536 -4.043 1.00 10.46 ? 98 TRP D CB 1 ATOM 11884 C CG . TRP D 1 98 ? 37.764 -2.503 -5.124 1.00 8.35 ? 98 TRP D CG 1 ATOM 11885 C CD1 . TRP D 1 98 ? 36.760 -1.563 -5.220 1.00 9.36 ? 98 TRP D CD1 1 ATOM 11886 C CD2 . TRP D 1 98 ? 38.611 -2.299 -6.267 1.00 8.17 ? 98 TRP D CD2 1 ATOM 11887 N NE1 . TRP D 1 98 ? 36.940 -0.815 -6.363 1.00 10.26 ? 98 TRP D NE1 1 ATOM 11888 C CE2 . TRP D 1 98 ? 38.048 -1.265 -7.014 1.00 9.35 ? 98 TRP D CE2 1 ATOM 11889 C CE3 . TRP D 1 98 ? 39.757 -2.943 -6.743 1.00 11.63 ? 98 TRP D CE3 1 ATOM 11890 C CZ2 . TRP D 1 98 ? 38.622 -0.816 -8.193 1.00 11.90 ? 98 TRP D CZ2 1 ATOM 11891 C CZ3 . TRP D 1 98 ? 40.320 -2.486 -7.933 1.00 10.83 ? 98 TRP D CZ3 1 ATOM 11892 C CH2 . TRP D 1 98 ? 39.745 -1.444 -8.612 1.00 11.40 ? 98 TRP D CH2 1 ATOM 11893 H H . TRP D 1 98 ? 38.017 -6.306 -3.382 1.00 9.36 ? 98 TRP D H 1 ATOM 11894 H HA . TRP D 1 98 ? 36.143 -4.523 -4.137 1.00 9.76 ? 98 TRP D HA 1 ATOM 11895 H HB2 . TRP D 1 98 ? 37.764 -3.119 -3.192 1.00 12.54 ? 98 TRP D HB2 1 ATOM 11896 H HB3 . TRP D 1 98 ? 38.901 -3.805 -4.062 1.00 12.54 ? 98 TRP D HB3 1 ATOM 11897 H HD1 . TRP D 1 98 ? 36.069 -1.451 -4.608 1.00 11.22 ? 98 TRP D HD1 1 ATOM 11898 H HE1 . TRP D 1 98 ? 36.432 -0.171 -6.624 1.00 12.31 ? 98 TRP D HE1 1 ATOM 11899 H HE3 . TRP D 1 98 ? 40.144 -3.643 -6.269 1.00 13.95 ? 98 TRP D HE3 1 ATOM 11900 H HZ2 . TRP D 1 98 ? 38.251 -0.114 -8.676 1.00 14.27 ? 98 TRP D HZ2 1 ATOM 11901 H HZ3 . TRP D 1 98 ? 41.093 -2.884 -8.263 1.00 12.98 ? 98 TRP D HZ3 1 ATOM 11902 H HH2 . TRP D 1 98 ? 40.140 -1.162 -9.405 1.00 13.67 ? 98 TRP D HH2 1 ATOM 11903 N N . GLU D 1 99 ? 36.417 -5.079 -6.501 1.00 8.51 ? 99 GLU D N 1 ATOM 11904 C CA . GLU D 1 99 ? 36.346 -5.678 -7.845 1.00 10.16 ? 99 GLU D CA 1 ATOM 11905 C C . GLU D 1 99 ? 36.348 -4.545 -8.846 1.00 9.88 ? 99 GLU D C 1 ATOM 11906 O O . GLU D 1 99 ? 35.396 -3.765 -8.901 1.00 10.90 ? 99 GLU D O 1 ATOM 11907 C CB . GLU D 1 99 ? 35.033 -6.455 -7.944 1.00 13.10 ? 99 GLU D CB 1 ATOM 11908 C CG . GLU D 1 99 ? 34.790 -7.150 -9.268 1.00 16.32 ? 99 GLU D CG 1 ATOM 11909 C CD . GLU D 1 99 ? 33.473 -7.881 -9.269 1.00 20.54 ? 99 GLU D CD 1 ATOM 11910 O OE1 . GLU D 1 99 ? 33.462 -9.129 -9.326 1.00 23.63 ? 99 GLU D OE1 1 ATOM 11911 O OE2 . GLU D 1 99 ? 32.431 -7.202 -9.211 1.00 14.84 ? 99 GLU D OE2 1 ATOM 11912 H H . GLU D 1 99 ? 35.825 -4.467 -6.377 1.00 10.20 ? 99 GLU D H 1 ATOM 11913 H HA . GLU D 1 99 ? 37.107 -6.275 -8.007 1.00 12.18 ? 99 GLU D HA 1 ATOM 11914 H HB2 . GLU D 1 99 ? 35.025 -7.135 -7.252 1.00 15.71 ? 99 GLU D HB2 1 ATOM 11915 H HB3 . GLU D 1 99 ? 34.299 -5.838 -7.800 1.00 15.71 ? 99 GLU D HB3 1 ATOM 11916 H HG2 . GLU D 1 99 ? 34.773 -6.490 -9.978 1.00 19.58 ? 99 GLU D HG2 1 ATOM 11917 H HG3 . GLU D 1 99 ? 35.497 -7.796 -9.425 1.00 19.58 ? 99 GLU D HG3 1 ATOM 11918 N N . SER D 1 100 ? 37.404 -4.427 -9.655 1.00 11.21 ? 100 SER D N 1 ATOM 11919 C CA . SER D 1 100 ? 37.464 -3.341 -10.642 1.00 10.92 ? 100 SER D CA 1 ATOM 11920 C C . SER D 1 100 ? 36.280 -3.304 -11.605 1.00 9.60 ? 100 SER D C 1 ATOM 11921 O O . SER D 1 100 ? 35.757 -2.220 -11.928 1.00 11.80 ? 100 SER D O 1 ATOM 11922 C CB . SER D 1 100 ? 38.734 -3.457 -11.470 1.00 13.62 ? 100 SER D CB 1 ATOM 11923 O OG . SER D 1 100 ? 38.717 -2.479 -12.500 1.00 14.71 ? 100 SER D OG 1 ATOM 11924 H H . SER D 1 100 ? 38.087 -4.950 -9.656 1.00 13.44 ? 100 SER D H 1 ATOM 11925 H HA . SER D 1 100 ? 37.492 -2.484 -10.167 1.00 13.09 ? 100 SER D HA 1 ATOM 11926 H HB2 . SER D 1 100 ? 39.503 -3.308 -10.899 1.00 16.33 ? 100 SER D HB2 1 ATOM 11927 H HB3 . SER D 1 100 ? 38.777 -4.341 -11.868 1.00 16.33 ? 100 SER D HB3 1 ATOM 11928 H HG . SER D 1 100 ? 39.400 -2.535 -12.952 1.00 17.64 ? 100 SER D HG 1 ATOM 11929 N N . SER D 1 101 ? 35.815 -4.466 -12.060 1.00 12.28 ? 101 SER D N 1 ATOM 11930 C CA . SER D 1 101 ? 34.838 -4.453 -13.147 1.00 14.32 ? 101 SER D CA 1 ATOM 11931 C C . SER D 1 101 ? 33.532 -3.778 -12.745 1.00 12.87 ? 101 SER D C 1 ATOM 11932 O O . SER D 1 101 ? 32.884 -3.153 -13.581 1.00 14.36 ? 101 SER D O 1 ATOM 11933 C CB . SER D 1 101 ? 34.590 -5.876 -13.652 1.00 14.50 ? 101 SER D CB 1 ATOM 11934 O OG . SER D 1 101 ? 34.103 -6.723 -12.629 1.00 18.28 ? 101 SER D OG 1 ATOM 11935 H H . SER D 1 101 ? 36.038 -5.244 -11.772 1.00 14.72 ? 101 SER D H 1 ATOM 11936 H HA . SER D 1 101 ? 35.213 -3.940 -13.892 1.00 17.17 ? 101 SER D HA 1 ATOM 11937 H HB2 . SER D 1 101 ? 33.938 -5.845 -14.368 1.00 17.39 ? 101 SER D HB2 1 ATOM 11938 H HB3 . SER D 1 101 ? 35.426 -6.239 -13.985 1.00 17.39 ? 101 SER D HB3 1 ATOM 11939 H HG . SER D 1 101 ? 33.979 -7.478 -12.925 1.00 21.92 ? 101 SER D HG 1 ATOM 11940 N N . SER D 1 102 ? 33.133 -3.920 -11.467 1.00 10.75 ? 102 SER D N 1 ATOM 11941 C CA . SER D 1 102 ? 31.941 -3.252 -10.960 1.00 10.28 ? 102 SER D CA 1 ATOM 11942 C C . SER D 1 102 ? 32.222 -2.023 -10.092 1.00 10.02 ? 102 SER D C 1 ATOM 11943 O O . SER D 1 102 ? 31.314 -1.210 -9.855 1.00 11.46 ? 102 SER D O 1 ATOM 11944 C CB . SER D 1 102 ? 31.144 -4.210 -10.092 1.00 11.18 ? 102 SER D CB 1 ATOM 11945 O OG . SER D 1 102 ? 31.939 -4.623 -8.982 1.00 10.85 ? 102 SER D OG 1 ATOM 11946 H H . SER D 1 102 ? 33.541 -4.401 -10.882 1.00 12.88 ? 102 SER D H 1 ATOM 11947 H HA . SER D 1 102 ? 31.379 -2.975 -11.713 1.00 12.32 ? 102 SER D HA 1 ATOM 11948 H HB2 . SER D 1 102 ? 30.348 -3.761 -9.766 1.00 13.40 ? 102 SER D HB2 1 ATOM 11949 H HB3 . SER D 1 102 ? 30.898 -4.988 -10.617 1.00 13.40 ? 102 SER D HB3 1 ATOM 11950 H HG . SER D 1 102 ? 31.513 -5.140 -8.510 1.00 13.01 ? 102 SER D HG 1 ATOM 11951 N N . GLY D 1 103 ? 33.438 -1.933 -9.600 1.00 9.07 ? 103 GLY D N 1 ATOM 11952 C CA . GLY D 1 103 ? 33.846 -0.945 -8.596 1.00 9.70 ? 103 GLY D CA 1 ATOM 11953 C C . GLY D 1 103 ? 33.387 -1.273 -7.181 1.00 7.84 ? 103 GLY D C 1 ATOM 11954 O O . GLY D 1 103 ? 33.592 -0.494 -6.256 1.00 8.31 ? 103 GLY D O 1 ATOM 11955 H H . GLY D 1 103 ? 34.081 -2.453 -9.837 1.00 10.87 ? 103 GLY D H 1 ATOM 11956 H HA2 . GLY D 1 103 ? 34.813 -0.877 -8.592 1.00 11.63 ? 103 GLY D HA2 1 ATOM 11957 H HA3 . GLY D 1 103 ? 33.483 -0.079 -8.838 1.00 11.63 ? 103 GLY D HA3 1 ATOM 11958 N N . ILE D 1 104 ? 32.751 -2.423 -6.969 1.00 8.80 ? 104 ILE D N 1 ATOM 11959 C CA . ILE D 1 104 ? 32.114 -2.709 -5.686 1.00 7.68 ? 104 ILE D CA 1 ATOM 11960 C C . ILE D 1 104 ? 33.120 -3.085 -4.631 1.00 8.08 ? 104 ILE D C 1 ATOM 11961 O O . ILE D 1 104 ? 33.968 -3.974 -4.827 1.00 9.44 ? 104 ILE D O 1 ATOM 11962 C CB . ILE D 1 104 ? 31.080 -3.835 -5.824 1.00 8.32 ? 104 ILE D CB 1 ATOM 11963 C CG1 . ILE D 1 104 ? 29.917 -3.396 -6.702 1.00 9.76 ? 104 ILE D CG1 1 ATOM 11964 C CG2 . ILE D 1 104 ? 30.592 -4.300 -4.455 1.00 10.32 ? 104 ILE D CG2 1 ATOM 11965 C CD1 . ILE D 1 104 ? 29.111 -2.253 -6.135 1.00 13.25 ? 104 ILE D CD1 1 ATOM 11966 H H . ILE D 1 104 ? 32.673 -3.053 -7.550 1.00 10.54 ? 104 ILE D H 1 ATOM 11967 H HA . ILE D 1 104 ? 31.644 -1.906 -5.380 1.00 9.20 ? 104 ILE D HA 1 ATOM 11968 H HB . ILE D 1 104 ? 31.514 -4.587 -6.257 1.00 9.97 ? 104 ILE D HB 1 ATOM 11969 H HG12 . ILE D 1 104 ? 30.266 -3.113 -7.562 1.00 11.70 ? 104 ILE D HG12 1 ATOM 11970 H HG13 . ILE D 1 104 ? 29.318 -4.148 -6.823 1.00 11.70 ? 104 ILE D HG13 1 ATOM 11971 H HG21 . ILE D 1 104 ? 29.948 -5.002 -4.575 1.00 12.37 ? 104 ILE D HG21 1 ATOM 11972 H HG22 . ILE D 1 104 ? 31.341 -4.624 -3.950 1.00 12.37 ? 104 ILE D HG22 1 ATOM 11973 H HG23 . ILE D 1 104 ? 30.186 -3.558 -4.000 1.00 12.37 ? 104 ILE D HG23 1 ATOM 11974 H HD11 . ILE D 1 104 ? 28.402 -2.038 -6.745 1.00 15.89 ? 104 ILE D HD11 1 ATOM 11975 H HD12 . ILE D 1 104 ? 28.746 -2.519 -5.288 1.00 15.89 ? 104 ILE D HD12 1 ATOM 11976 H HD13 . ILE D 1 104 ? 29.686 -1.492 -6.020 1.00 15.89 ? 104 ILE D HD13 1 ATOM 11977 N N . ALA D 1 105 ? 32.994 -2.420 -3.480 1.00 8.46 ? 105 ALA D N 1 ATOM 11978 C CA . ALA D 1 105 ? 33.749 -2.712 -2.288 1.00 8.19 ? 105 ALA D CA 1 ATOM 11979 C C . ALA D 1 105 ? 32.819 -3.322 -1.245 1.00 7.14 ? 105 ALA D C 1 ATOM 11980 O O . ALA D 1 105 ? 31.734 -2.769 -0.989 1.00 9.69 ? 105 ALA D O 1 ATOM 11981 C CB . ALA D 1 105 ? 34.391 -1.430 -1.725 1.00 9.47 ? 105 ALA D CB 1 ATOM 11982 H H . ALA D 1 105 ? 32.446 -1.765 -3.374 1.00 10.14 ? 105 ALA D H 1 ATOM 11983 H HA . ALA D 1 105 ? 34.458 -3.356 -2.495 1.00 9.82 ? 105 ALA D HA 1 ATOM 11984 H HB1 . ALA D 1 105 ? 34.887 -1.651 -0.934 1.00 11.36 ? 105 ALA D HB1 1 ATOM 11985 H HB2 . ALA D 1 105 ? 34.978 -1.058 -2.387 1.00 11.36 ? 105 ALA D HB2 1 ATOM 11986 H HB3 . ALA D 1 105 ? 33.697 -0.801 -1.512 1.00 11.36 ? 105 ALA D HB3 1 ATOM 11987 N N . GLU D 1 106 ? 33.240 -4.442 -0.675 1.00 9.10 ? 106 GLU D N 1 ATOM 11988 C CA . GLU D 1 106 ? 32.473 -5.164 0.351 1.00 8.54 ? 106 GLU D CA 1 ATOM 11989 C C . GLU D 1 106 ? 33.286 -5.226 1.627 1.00 9.11 ? 106 GLU D C 1 ATOM 11990 O O . GLU D 1 106 ? 34.289 -5.933 1.678 1.00 11.03 ? 106 GLU D O 1 ATOM 11991 C CB . GLU D 1 106 ? 32.257 -6.635 -0.041 1.00 12.34 ? 106 GLU D CB 1 ATOM 11992 C CG . GLU D 1 106 ? 31.382 -6.873 -1.128 1.00 14.34 ? 106 GLU D CG 1 ATOM 11993 C CD . GLU D 1 106 ? 31.092 -8.375 -1.358 1.00 19.02 ? 106 GLU D CD 1 ATOM 11994 O OE1 . GLU D 1 106 ? 31.326 -9.251 -0.451 1.00 15.46 ? 106 GLU D OE1 1 ATOM 11995 O OE2 . GLU D 1 106 ? 30.589 -8.666 -2.472 1.00 21.42 ? 106 GLU D OE2 1 ATOM 11996 H H . GLU D 1 106 ? 33.989 -4.820 -0.866 1.00 10.90 ? 106 GLU D H 1 ATOM 11997 H HA . GLU D 1 106 ? 31.611 -4.730 0.521 1.00 10.24 ? 106 GLU D HA 1 ATOM 11998 H HB2 . GLU D 1 106 ? 33.117 -7.016 -0.275 1.00 14.80 ? 106 GLU D HB2 1 ATOM 11999 H HB3 . GLU D 1 106 ? 31.895 -7.104 0.727 1.00 14.80 ? 106 GLU D HB3 1 ATOM 12000 H HG2 . GLU D 1 106 ? 30.537 -6.429 -0.955 1.00 17.19 ? 106 GLU D HG2 1 ATOM 12001 H HG3 . GLU D 1 106 ? 31.782 -6.519 -1.938 1.00 17.19 ? 106 GLU D HG3 1 ATOM 12002 N N . PHE D 1 107 ? 32.816 -4.574 2.692 1.00 8.37 ? 107 PHE D N 1 ATOM 12003 C CA . PHE D 1 107 ? 33.303 -4.829 4.039 1.00 7.17 ? 107 PHE D CA 1 ATOM 12004 C C . PHE D 1 107 ? 32.466 -5.880 4.739 1.00 7.59 ? 107 PHE D C 1 ATOM 12005 O O . PHE D 1 107 ? 31.245 -5.898 4.641 1.00 8.77 ? 107 PHE D O 1 ATOM 12006 C CB . PHE D 1 107 ? 33.244 -3.547 4.873 1.00 9.13 ? 107 PHE D CB 1 ATOM 12007 C CG . PHE D 1 107 ? 34.439 -2.641 4.723 1.00 8.61 ? 107 PHE D CG 1 ATOM 12008 C CD1 . PHE D 1 107 ? 35.602 -2.912 5.371 1.00 8.01 ? 107 PHE D CD1 1 ATOM 12009 C CD2 . PHE D 1 107 ? 34.374 -1.476 3.997 1.00 8.77 ? 107 PHE D CD2 1 ATOM 12010 C CE1 . PHE D 1 107 ? 36.726 -2.069 5.268 1.00 10.42 ? 107 PHE D CE1 1 ATOM 12011 C CE2 . PHE D 1 107 ? 35.482 -0.619 3.905 1.00 7.73 ? 107 PHE D CE2 1 ATOM 12012 C CZ . PHE D 1 107 ? 36.617 -0.903 4.517 1.00 9.54 ? 107 PHE D CZ 1 ATOM 12013 H H . PHE D 1 107 ? 32.204 -3.970 2.654 1.00 10.03 ? 107 PHE D H 1 ATOM 12014 H HA . PHE D 1 107 ? 34.232 -5.138 4.002 1.00 8.59 ? 107 PHE D HA 1 ATOM 12015 H HB2 . PHE D 1 107 ? 32.459 -3.043 4.609 1.00 10.94 ? 107 PHE D HB2 1 ATOM 12016 H HB3 . PHE D 1 107 ? 33.176 -3.791 5.809 1.00 10.94 ? 107 PHE D HB3 1 ATOM 12017 H HD1 . PHE D 1 107 ? 35.668 -3.692 5.874 1.00 9.60 ? 107 PHE D HD1 1 ATOM 12018 H HD2 . PHE D 1 107 ? 33.584 -1.251 3.562 1.00 10.51 ? 107 PHE D HD2 1 ATOM 12019 H HE1 . PHE D 1 107 ? 37.519 -2.279 5.707 1.00 12.49 ? 107 PHE D HE1 1 ATOM 12020 H HE2 . PHE D 1 107 ? 35.419 0.155 3.394 1.00 9.26 ? 107 PHE D HE2 1 ATOM 12021 H HZ . PHE D 1 107 ? 37.346 -0.332 4.434 1.00 11.43 ? 107 PHE D HZ 1 ATOM 12022 N N . TRP D 1 108 ? 33.152 -6.727 5.500 1.00 7.36 ? 108 TRP D N 1 ATOM 12023 C CA . TRP D 1 108 ? 32.550 -7.698 6.392 1.00 6.47 ? 108 TRP D CA 1 ATOM 12024 C C . TRP D 1 108 ? 33.207 -7.526 7.754 1.00 7.39 ? 108 TRP D C 1 ATOM 12025 O O . TRP D 1 108 ? 34.435 -7.607 7.890 1.00 7.65 ? 108 TRP D O 1 ATOM 12026 C CB . TRP D 1 108 ? 32.808 -9.126 5.906 1.00 9.08 ? 108 TRP D CB 1 ATOM 12027 C CG . TRP D 1 108 ? 32.122 -9.451 4.598 1.00 9.95 ? 108 TRP D CG 1 ATOM 12028 C CD1 . TRP D 1 108 ? 32.461 -8.984 3.373 1.00 12.28 ? 108 TRP D CD1 1 ATOM 12029 C CD2 . TRP D 1 108 ? 30.996 -10.325 4.407 1.00 9.96 ? 108 TRP D CD2 1 ATOM 12030 N NE1 . TRP D 1 108 ? 31.595 -9.508 2.414 1.00 13.54 ? 108 TRP D NE1 1 ATOM 12031 C CE2 . TRP D 1 108 ? 30.695 -10.324 3.031 1.00 10.48 ? 108 TRP D CE2 1 ATOM 12032 C CE3 . TRP D 1 108 ? 30.227 -11.100 5.266 1.00 11.16 ? 108 TRP D CE3 1 ATOM 12033 C CZ2 . TRP D 1 108 ? 29.643 -11.097 2.503 1.00 11.25 ? 108 TRP D CZ2 1 ATOM 12034 C CZ3 . TRP D 1 108 ? 29.174 -11.833 4.754 1.00 12.53 ? 108 TRP D CZ3 1 ATOM 12035 C CH2 . TRP D 1 108 ? 28.912 -11.835 3.378 1.00 11.68 ? 108 TRP D CH2 1 ATOM 12036 H H . TRP D 1 108 ? 34.011 -6.754 5.512 1.00 8.82 ? 108 TRP D H 1 ATOM 12037 H HA . TRP D 1 108 ? 31.585 -7.544 6.470 1.00 7.75 ? 108 TRP D HA 1 ATOM 12038 H HB2 . TRP D 1 108 ? 33.762 -9.247 5.780 1.00 10.89 ? 108 TRP D HB2 1 ATOM 12039 H HB3 . TRP D 1 108 ? 32.482 -9.749 6.575 1.00 10.89 ? 108 TRP D HB3 1 ATOM 12040 H HD1 . TRP D 1 108 ? 33.156 -8.390 3.199 1.00 14.72 ? 108 TRP D HD1 1 ATOM 12041 H HE1 . TRP D 1 108 ? 31.625 -9.344 1.570 1.00 16.24 ? 108 TRP D HE1 1 ATOM 12042 H HE3 . TRP D 1 108 ? 30.401 -11.103 6.180 1.00 13.38 ? 108 TRP D HE3 1 ATOM 12043 H HZ2 . TRP D 1 108 ? 29.449 -11.094 1.593 1.00 13.49 ? 108 TRP D HZ2 1 ATOM 12044 H HZ3 . TRP D 1 108 ? 28.658 -12.358 5.322 1.00 15.02 ? 108 TRP D HZ3 1 ATOM 12045 H HH2 . TRP D 1 108 ? 28.201 -12.342 3.056 1.00 14.00 ? 108 TRP D HH2 1 ATOM 12046 N N . ILE D 1 109 ? 32.393 -7.296 8.774 1.00 8.13 ? 109 ILE D N 1 ATOM 12047 C CA . ILE D 1 109 ? 32.859 -7.075 10.131 1.00 8.18 ? 109 ILE D CA 1 ATOM 12048 C C . ILE D 1 109 ? 32.315 -8.191 11.023 1.00 8.72 ? 109 ILE D C 1 ATOM 12049 O O . ILE D 1 109 ? 31.108 -8.380 11.143 1.00 10.28 ? 109 ILE D O 1 ATOM 12050 C CB . ILE D 1 109 ? 32.381 -5.716 10.633 1.00 9.58 ? 109 ILE D CB 1 ATOM 12051 C CG1 . ILE D 1 109 ? 32.860 -4.588 9.697 1.00 11.55 ? 109 ILE D CG1 1 ATOM 12052 C CG2 . ILE D 1 109 ? 32.739 -5.525 12.126 1.00 12.23 ? 109 ILE D CG2 1 ATOM 12053 C CD1 . ILE D 1 109 ? 34.379 -4.449 9.509 1.00 12.33 ? 109 ILE D CD1 1 ATOM 12054 H H . ILE D 1 109 ? 31.537 -7.262 8.700 1.00 9.75 ? 109 ILE D H 1 ATOM 12055 H HA . ILE D 1 109 ? 33.838 -7.097 10.156 1.00 9.80 ? 109 ILE D HA 1 ATOM 12056 H HB . ILE D 1 109 ? 31.412 -5.725 10.581 1.00 11.49 ? 109 ILE D HB 1 ATOM 12057 H HG12 . ILE D 1 109 ? 32.475 -4.737 8.820 1.00 13.85 ? 109 ILE D HG12 1 ATOM 12058 H HG13 . ILE D 1 109 ? 32.537 -3.744 10.050 1.00 13.85 ? 109 ILE D HG13 1 ATOM 12059 H HG21 . ILE D 1 109 ? 32.427 -4.664 12.414 1.00 14.66 ? 109 ILE D HG21 1 ATOM 12060 H HG22 . ILE D 1 109 ? 32.315 -6.216 12.639 1.00 14.66 ? 109 ILE D HG22 1 ATOM 12061 H HG23 . ILE D 1 109 ? 33.692 -5.580 12.227 1.00 14.66 ? 109 ILE D HG23 1 ATOM 12062 H HD11 . ILE D 1 109 ? 34.554 -3.719 8.911 1.00 14.78 ? 109 ILE D HD11 1 ATOM 12063 H HD12 . ILE D 1 109 ? 34.785 -4.278 10.362 1.00 14.78 ? 109 ILE D HD12 1 ATOM 12064 H HD13 . ILE D 1 109 ? 34.724 -5.265 9.140 1.00 14.78 ? 109 ILE D HD13 1 ATOM 12065 N N . ASN D 1 110 ? 33.199 -8.977 11.610 1.00 8.29 ? 110 ASN D N 1 ATOM 12066 C CA . ASN D 1 110 ? 32.807 -10.154 12.383 1.00 10.00 ? 110 ASN D CA 1 ATOM 12067 C C . ASN D 1 110 ? 31.820 -11.027 11.631 1.00 11.03 ? 110 ASN D C 1 ATOM 12068 O O . ASN D 1 110 ? 30.847 -11.517 12.211 1.00 14.50 ? 110 ASN D O 1 ATOM 12069 C CB . ASN D 1 110 ? 32.247 -9.740 13.738 1.00 13.81 ? 110 ASN D CB 1 ATOM 12070 C CG . ASN D 1 110 ? 33.233 -8.941 14.539 1.00 13.91 ? 110 ASN D CG 1 ATOM 12071 O OD1 . ASN D 1 110 ? 34.445 -9.184 14.493 1.00 12.67 ? 110 ASN D OD1 1 ATOM 12072 N ND2 . ASN D 1 110 ? 32.728 -7.950 15.264 1.00 18.15 ? 110 ASN D ND2 1 ATOM 12073 H H . ASN D 1 110 ? 34.049 -8.853 11.578 1.00 9.94 ? 110 ASN D H 1 ATOM 12074 H HA . ASN D 1 110 ? 33.608 -10.694 12.550 1.00 11.99 ? 110 ASN D HA 1 ATOM 12075 H HB2 . ASN D 1 110 ? 31.457 -9.195 13.603 1.00 16.55 ? 110 ASN D HB2 1 ATOM 12076 H HB3 . ASN D 1 110 ? 32.021 -10.535 14.245 1.00 16.55 ? 110 ASN D HB3 1 ATOM 12077 H HD21 . ASN D 1 110 ? 33.320 -7.391 15.810 1.00 21.76 ? 110 ASN D HD21 1 ATOM 12078 H HD22 . ASN D 1 110 ? 31.763 -7.778 15.254 1.00 21.76 ? 110 ASN D HD22 1 ATOM 12079 N N . GLY D 1 111 ? 32.090 -11.226 10.356 1.00 9.63 ? 111 GLY D N 1 ATOM 12080 C CA . GLY D 1 111 ? 31.303 -12.132 9.515 1.00 11.54 ? 111 GLY D CA 1 ATOM 12081 C C . GLY D 1 111 ? 29.987 -11.539 9.057 1.00 14.30 ? 111 GLY D C 1 ATOM 12082 O O . GLY D 1 111 ? 29.191 -12.248 8.418 1.00 18.35 ? 111 GLY D O 1 ATOM 12083 H H . GLY D 1 111 ? 32.736 -10.843 9.938 1.00 11.54 ? 111 GLY D H 1 ATOM 12084 H HA2 . GLY D 1 111 ? 31.820 -12.367 8.729 1.00 13.84 ? 111 GLY D HA2 1 ATOM 12085 H HA3 . GLY D 1 111 ? 31.115 -12.944 10.010 1.00 13.84 ? 111 GLY D HA3 1 ATOM 12086 N N . THR D 1 112 ? 29.731 -10.284 9.362 1.00 11.16 ? 112 THR D N 1 ATOM 12087 C CA . THR D 1 112 ? 28.515 -9.608 8.927 1.00 11.68 ? 112 THR D CA 1 ATOM 12088 C C . THR D 1 112 ? 28.811 -8.608 7.823 1.00 9.96 ? 112 THR D C 1 ATOM 12089 O O . THR D 1 112 ? 29.711 -7.769 7.940 1.00 9.63 ? 112 THR D O 1 ATOM 12090 C CB A THR D 1 112 ? 27.728 -9.012 10.056 0.35 16.87 ? 112 THR D CB 1 ATOM 12091 C CB B THR D 1 112 ? 27.973 -8.731 10.106 0.65 10.46 ? 112 THR D CB 1 ATOM 12092 O OG1 A THR D 1 112 ? 28.435 -7.912 10.612 0.35 8.57 ? 112 THR D OG1 1 ATOM 12093 O OG1 B THR D 1 112 ? 27.549 -9.552 11.212 0.65 21.79 ? 112 THR D OG1 1 ATOM 12094 C CG2 A THR D 1 112 ? 27.459 -10.094 11.121 0.35 14.23 ? 112 THR D CG2 1 ATOM 12095 C CG2 B THR D 1 112 ? 26.771 -7.837 9.699 0.65 17.12 ? 112 THR D CG2 1 ATOM 12096 H H . THR D 1 112 ? 30.254 -9.787 9.829 1.00 13.39 ? 112 THR D H 1 ATOM 12097 H HA . THR D 1 112 ? 27.886 -10.270 8.573 1.00 14.01 ? 112 THR D HA 1 ATOM 12098 H HB A THR D 1 112 ? 26.874 -8.702 9.718 0.35 20.23 ? 112 THR D HB 1 ATOM 12099 H HB B THR D 1 112 ? 28.684 -8.145 10.409 0.65 12.54 ? 112 THR D HB 1 ATOM 12100 H HG1 A THR D 1 112 ? 29.163 -8.161 10.897 0.35 10.28 ? 112 THR D HG1 1 ATOM 12101 H HG1 B THR D 1 112 ? 28.181 -9.996 11.490 0.65 26.13 ? 112 THR D HG1 1 ATOM 12102 H HG21 A THR D 1 112 ? 26.955 -9.720 11.848 0.35 17.07 ? 112 THR D HG21 1 ATOM 12103 H HG21 B THR D 1 112 ? 26.476 -7.321 10.454 0.65 20.53 ? 112 THR D HG21 1 ATOM 12104 H HG22 A THR D 1 112 ? 26.959 -10.817 10.735 0.35 17.07 ? 112 THR D HG22 1 ATOM 12105 H HG22 B THR D 1 112 ? 27.030 -7.240 8.994 0.65 20.53 ? 112 THR D HG22 1 ATOM 12106 H HG23 A THR D 1 112 ? 28.290 -10.434 11.461 0.35 17.07 ? 112 THR D HG23 1 ATOM 12107 H HG23 B THR D 1 112 ? 26.044 -8.385 9.393 0.65 20.53 ? 112 THR D HG23 1 ATOM 12108 N N . PRO D 1 113 ? 28.048 -8.665 6.730 1.00 7.93 ? 113 PRO D N 1 ATOM 12109 C CA . PRO D 1 113 ? 28.305 -7.771 5.606 1.00 7.33 ? 113 PRO D CA 1 ATOM 12110 C C . PRO D 1 113 ? 27.787 -6.363 5.896 1.00 8.00 ? 113 PRO D C 1 ATOM 12111 O O . PRO D 1 113 ? 26.658 -6.174 6.357 1.00 8.82 ? 113 PRO D O 1 ATOM 12112 C CB . PRO D 1 113 ? 27.532 -8.408 4.454 1.00 7.69 ? 113 PRO D CB 1 ATOM 12113 C CG . PRO D 1 113 ? 26.372 -9.093 5.115 1.00 8.63 ? 113 PRO D CG 1 ATOM 12114 C CD . PRO D 1 113 ? 26.934 -9.590 6.453 1.00 9.21 ? 113 PRO D CD 1 ATOM 12115 H HA . PRO D 1 113 ? 29.261 -7.741 5.392 1.00 8.78 ? 113 PRO D HA 1 ATOM 12116 H HB2 . PRO D 1 113 ? 27.224 -7.720 3.844 1.00 9.22 ? 113 PRO D HB2 1 ATOM 12117 H HB3 . PRO D 1 113 ? 28.096 -9.050 3.994 1.00 9.22 ? 113 PRO D HB3 1 ATOM 12118 H HG2 . PRO D 1 113 ? 25.653 -8.459 5.257 1.00 10.34 ? 113 PRO D HG2 1 ATOM 12119 H HG3 . PRO D 1 113 ? 26.075 -9.837 4.568 1.00 10.34 ? 113 PRO D HG3 1 ATOM 12120 H HD2 . PRO D 1 113 ? 26.260 -9.523 7.148 1.00 11.04 ? 113 PRO D HD2 1 ATOM 12121 H HD3 . PRO D 1 113 ? 27.263 -10.498 6.365 1.00 11.04 ? 113 PRO D HD3 1 ATOM 12122 N N . LEU D 1 114 ? 28.626 -5.374 5.590 1.00 7.05 ? 114 LEU D N 1 ATOM 12123 C CA . LEU D 1 114 ? 28.209 -3.984 5.581 1.00 7.72 ? 114 LEU D CA 1 ATOM 12124 C C . LEU D 1 114 ? 27.534 -3.657 4.254 1.00 6.32 ? 114 LEU D C 1 ATOM 12125 O O . LEU D 1 114 ? 27.552 -4.467 3.298 1.00 7.67 ? 114 LEU D O 1 ATOM 12126 C CB . LEU D 1 114 ? 29.365 -3.043 5.889 1.00 7.15 ? 114 LEU D CB 1 ATOM 12127 C CG . LEU D 1 114 ? 30.202 -3.337 7.118 1.00 11.76 ? 114 LEU D CG 1 ATOM 12128 C CD1 . LEU D 1 114 ? 31.083 -2.059 7.477 1.00 9.00 ? 114 LEU D CD1 1 ATOM 12129 C CD2 . LEU D 1 114 ? 29.432 -3.823 8.258 1.00 13.93 ? 114 LEU D CD2 1 ATOM 12130 H H . LEU D 1 114 ? 29.453 -5.490 5.382 1.00 8.45 ? 114 LEU D H 1 ATOM 12131 H HA . LEU D 1 114 ? 27.539 -3.860 6.286 1.00 9.25 ? 114 LEU D HA 1 ATOM 12132 H HB2 . LEU D 1 114 ? 29.966 -3.049 5.128 1.00 8.57 ? 114 LEU D HB2 1 ATOM 12133 H HB3 . LEU D 1 114 ? 29.002 -2.150 6.000 1.00 8.57 ? 114 LEU D HB3 1 ATOM 12134 H HG . LEU D 1 114 ? 30.824 -4.044 6.885 1.00 14.10 ? 114 LEU D HG 1 ATOM 12135 H HD11 . LEU D 1 114 ? 31.610 -2.253 8.256 1.00 10.79 ? 114 LEU D HD11 1 ATOM 12136 H HD12 . LEU D 1 114 ? 31.657 -1.857 6.735 1.00 10.79 ? 114 LEU D HD12 1 ATOM 12137 H HD13 . LEU D 1 114 ? 30.499 -1.317 7.652 1.00 10.79 ? 114 LEU D HD13 1 ATOM 12138 H HD21 . LEU D 1 114 ? 30.029 -3.985 8.992 1.00 16.70 ? 114 LEU D HD21 1 ATOM 12139 H HD22 . LEU D 1 114 ? 28.784 -3.158 8.504 1.00 16.70 ? 114 LEU D HD22 1 ATOM 12140 H HD23 . LEU D 1 114 ? 28.988 -4.637 8.011 1.00 16.70 ? 114 LEU D HD23 1 ATOM 12141 N N . VAL D 1 115 ? 26.919 -2.482 4.163 1.00 6.29 ? 115 VAL D N 1 ATOM 12142 C CA . VAL D 1 115 ? 26.365 -2.013 2.895 1.00 6.15 ? 115 VAL D CA 1 ATOM 12143 C C . VAL D 1 115 ? 27.459 -1.866 1.859 1.00 7.51 ? 115 VAL D C 1 ATOM 12144 O O . VAL D 1 115 ? 28.513 -1.252 2.122 1.00 7.95 ? 115 VAL D O 1 ATOM 12145 C CB . VAL D 1 115 ? 25.642 -0.657 3.080 1.00 5.54 ? 115 VAL D CB 1 ATOM 12146 C CG1 . VAL D 1 115 ? 25.068 -0.161 1.766 1.00 8.38 ? 115 VAL D CG1 1 ATOM 12147 C CG2 . VAL D 1 115 ? 24.510 -0.754 4.169 1.00 7.76 ? 115 VAL D CG2 1 ATOM 12148 H H . VAL D 1 115 ? 26.810 -1.937 4.819 1.00 7.53 ? 115 VAL D H 1 ATOM 12149 H HA . VAL D 1 115 ? 25.714 -2.667 2.565 1.00 7.37 ? 115 VAL D HA 1 ATOM 12150 H HB . VAL D 1 115 ? 26.295 0.006 3.388 1.00 6.64 ? 115 VAL D HB 1 ATOM 12151 H HG11 . VAL D 1 115 ? 24.628 0.679 1.915 1.00 10.05 ? 115 VAL D HG11 1 ATOM 12152 H HG12 . VAL D 1 115 ? 25.783 -0.050 1.135 1.00 10.05 ? 115 VAL D HG12 1 ATOM 12153 H HG13 . VAL D 1 115 ? 24.438 -0.807 1.437 1.00 10.05 ? 115 VAL D HG13 1 ATOM 12154 H HG21 . VAL D 1 115 ? 24.085 0.103 4.256 1.00 9.30 ? 115 VAL D HG21 1 ATOM 12155 H HG22 . VAL D 1 115 ? 23.867 -1.412 3.893 1.00 9.30 ? 115 VAL D HG22 1 ATOM 12156 H HG23 . VAL D 1 115 ? 24.903 -1.012 5.006 1.00 9.30 ? 115 VAL D HG23 1 ATOM 12157 N N . LYS D 1 116 ? 27.235 -2.443 0.674 1.00 7.37 ? 116 LYS D N 1 ATOM 12158 C CA . LYS D 1 116 ? 28.183 -2.267 -0.417 1.00 7.92 ? 116 LYS D CA 1 ATOM 12159 C C . LYS D 1 116 ? 28.278 -0.826 -0.885 1.00 8.27 ? 116 LYS D C 1 ATOM 12160 O O . LYS D 1 116 ? 27.265 -0.106 -0.911 1.00 9.40 ? 116 LYS D O 1 ATOM 12161 C CB . LYS D 1 116 ? 27.757 -3.154 -1.604 1.00 8.62 ? 116 LYS D CB 1 ATOM 12162 C CG . LYS D 1 116 ? 28.050 -4.639 -1.423 1.00 11.50 ? 116 LYS D CG 1 ATOM 12163 C CD . LYS D 1 116 ? 27.419 -5.413 -2.630 1.00 16.25 ? 116 LYS D CD 1 ATOM 12164 C CE . LYS D 1 116 ? 27.750 -6.882 -2.696 1.00 19.33 ? 116 LYS D CE 1 ATOM 12165 N NZ . LYS D 1 116 ? 27.298 -7.659 -1.473 1.00 14.64 ? 116 LYS D NZ 1 ATOM 12166 H H . LYS D 1 116 ? 26.553 -2.931 0.483 1.00 8.83 ? 116 LYS D H 1 ATOM 12167 H HA . LYS D 1 116 ? 29.073 -2.554 -0.122 1.00 9.50 ? 116 LYS D HA 1 ATOM 12168 H HB2 . LYS D 1 116 ? 26.800 -3.057 -1.736 1.00 10.34 ? 116 LYS D HB2 1 ATOM 12169 H HB3 . LYS D 1 116 ? 28.227 -2.857 -2.398 1.00 10.34 ? 116 LYS D HB3 1 ATOM 12170 H HG2 . LYS D 1 116 ? 29.008 -4.789 -1.420 1.00 13.79 ? 116 LYS D HG2 1 ATOM 12171 H HG3 . LYS D 1 116 ? 27.647 -4.958 -0.600 1.00 13.79 ? 116 LYS D HG3 1 ATOM 12172 H HD2 . LYS D 1 116 ? 26.454 -5.333 -2.575 1.00 19.49 ? 116 LYS D HD2 1 ATOM 12173 H HD3 . LYS D 1 116 ? 27.732 -5.006 -3.453 1.00 19.49 ? 116 LYS D HD3 1 ATOM 12174 H HE2 . LYS D 1 116 ? 27.314 -7.267 -3.471 1.00 23.19 ? 116 LYS D HE2 1 ATOM 12175 H HE3 . LYS D 1 116 ? 28.712 -6.983 -2.774 1.00 23.19 ? 116 LYS D HE3 1 ATOM 12176 H HZ1 . LYS D 1 116 ? 27.722 -7.309 -0.686 1.00 17.55 ? 116 LYS D HZ1 1 ATOM 12177 H HZ2 . LYS D 1 116 ? 26.346 -7.588 -1.372 1.00 17.55 ? 116 LYS D HZ2 1 ATOM 12178 H HZ3 . LYS D 1 116 ? 27.534 -8.585 -1.568 1.00 17.55 ? 116 LYS D HZ3 1 ATOM 12179 N N . LYS D 1 117 ? 29.488 -0.404 -1.274 1.00 7.78 ? 117 LYS D N 1 ATOM 12180 C CA . LYS D 1 117 ? 29.692 0.886 -1.909 1.00 7.63 ? 117 LYS D CA 1 ATOM 12181 C C . LYS D 1 117 ? 30.533 0.662 -3.162 1.00 10.38 ? 117 LYS D C 1 ATOM 12182 O O . LYS D 1 117 ? 31.005 -0.459 -3.409 1.00 11.94 ? 117 LYS D O 1 ATOM 12183 C CB . LYS D 1 117 ? 30.384 1.840 -0.944 1.00 10.02 ? 117 LYS D CB 1 ATOM 12184 C CG . LYS D 1 117 ? 29.622 2.062 0.397 1.00 8.30 ? 117 LYS D CG 1 ATOM 12185 C CD . LYS D 1 117 ? 28.332 2.852 0.205 1.00 9.32 ? 117 LYS D CD 1 ATOM 12186 C CE . LYS D 1 117 ? 27.389 2.773 1.420 1.00 9.63 ? 117 LYS D CE 1 ATOM 12187 N NZ . LYS D 1 117 ? 27.966 3.480 2.601 1.00 9.72 ? 117 LYS D NZ 1 ATOM 12188 H H . LYS D 1 117 ? 30.211 -0.859 -1.174 1.00 9.33 ? 117 LYS D H 1 ATOM 12189 H HA . LYS D 1 117 ? 28.829 1.270 -2.171 1.00 9.14 ? 117 LYS D HA 1 ATOM 12190 H HB2 . LYS D 1 117 ? 31.260 1.482 -0.729 1.00 12.01 ? 117 LYS D HB2 1 ATOM 12191 H HB3 . LYS D 1 117 ? 30.480 2.703 -1.375 1.00 12.01 ? 117 LYS D HB3 1 ATOM 12192 H HG2 . LYS D 1 117 ? 29.393 1.201 0.779 1.00 9.95 ? 117 LYS D HG2 1 ATOM 12193 H HG3 . LYS D 1 117 ? 30.190 2.558 1.007 1.00 9.95 ? 117 LYS D HG3 1 ATOM 12194 H HD2 . LYS D 1 117 ? 28.553 3.785 0.057 1.00 11.18 ? 117 LYS D HD2 1 ATOM 12195 H HD3 . LYS D 1 117 ? 27.858 2.498 -0.564 1.00 11.18 ? 117 LYS D HD3 1 ATOM 12196 H HE2 . LYS D 1 117 ? 26.543 3.192 1.198 1.00 11.54 ? 117 LYS D HE2 1 ATOM 12197 H HE3 . LYS D 1 117 ? 27.251 1.843 1.660 1.00 11.54 ? 117 LYS D HE3 1 ATOM 12198 H HZ1 . LYS D 1 117 ? 28.805 3.081 2.844 1.00 11.65 ? 117 LYS D HZ1 1 ATOM 12199 H HZ2 . LYS D 1 117 ? 28.110 4.405 2.391 1.00 11.65 ? 117 LYS D HZ2 1 ATOM 12200 H HZ3 . LYS D 1 117 ? 27.364 3.418 3.346 1.00 11.65 ? 117 LYS D HZ3 1 ATOM 12201 N N . GLY D 1 118 ? 30.723 1.686 -3.971 1.00 8.42 ? 118 GLY D N 1 ATOM 12202 C CA . GLY D 1 118 ? 31.433 1.512 -5.216 1.00 8.61 ? 118 GLY D CA 1 ATOM 12203 C C . GLY D 1 118 ? 32.314 2.688 -5.537 1.00 8.82 ? 118 GLY D C 1 ATOM 12204 O O . GLY D 1 118 ? 31.938 3.844 -5.321 1.00 11.87 ? 118 GLY D O 1 ATOM 12205 H H . GLY D 1 118 ? 30.451 2.488 -3.822 1.00 10.10 ? 118 GLY D H 1 ATOM 12206 H HA2 . GLY D 1 118 ? 31.987 0.717 -5.165 1.00 10.32 ? 118 GLY D HA2 1 ATOM 12207 H HA3 . GLY D 1 118 ? 30.796 1.397 -5.939 1.00 10.32 ? 118 GLY D HA3 1 ATOM 12208 N N . LEU D 1 119 ? 33.468 2.356 -6.094 1.00 7.59 ? 119 LEU D N 1 ATOM 12209 C CA . LEU D 1 119 ? 34.457 3.369 -6.482 1.00 8.74 ? 119 LEU D CA 1 ATOM 12210 C C . LEU D 1 119 ? 35.409 2.791 -7.514 1.00 8.85 ? 119 LEU D C 1 ATOM 12211 O O . LEU D 1 119 ? 35.656 1.601 -7.571 1.00 9.56 ? 119 LEU D O 1 ATOM 12212 C CB . LEU D 1 119 ? 35.248 3.884 -5.287 1.00 9.81 ? 119 LEU D CB 1 ATOM 12213 C CG . LEU D 1 119 ? 36.297 2.965 -4.646 1.00 9.64 ? 119 LEU D CG 1 ATOM 12214 C CD1 . LEU D 1 119 ? 37.120 3.715 -3.584 1.00 11.16 ? 119 LEU D CD1 1 ATOM 12215 C CD2 . LEU D 1 119 ? 35.674 1.698 -4.013 1.00 9.49 ? 119 LEU D CD2 1 ATOM 12216 H H . LEU D 1 119 ? 33.710 1.548 -6.262 1.00 9.09 ? 119 LEU D H 1 ATOM 12217 H HA . LEU D 1 119 ? 33.993 4.130 -6.889 1.00 10.48 ? 119 LEU D HA 1 ATOM 12218 H HB2 . LEU D 1 119 ? 35.713 4.688 -5.565 1.00 11.76 ? 119 LEU D HB2 1 ATOM 12219 H HB3 . LEU D 1 119 ? 34.614 4.113 -4.589 1.00 11.76 ? 119 LEU D HB3 1 ATOM 12220 H HG . LEU D 1 119 ? 36.911 2.672 -5.338 1.00 11.56 ? 119 LEU D HG 1 ATOM 12221 H HD11 . LEU D 1 119 ? 37.765 3.112 -3.206 1.00 13.38 ? 119 LEU D HD11 1 ATOM 12222 H HD12 . LEU D 1 119 ? 37.569 4.454 -4.001 1.00 13.38 ? 119 LEU D HD12 1 ATOM 12223 H HD13 . LEU D 1 119 ? 36.529 4.035 -2.899 1.00 13.38 ? 119 LEU D HD13 1 ATOM 12224 H HD21 . LEU D 1 119 ? 36.373 1.164 -3.630 1.00 11.38 ? 119 LEU D HD21 1 ATOM 12225 H HD22 . LEU D 1 119 ? 35.053 1.964 -3.331 1.00 11.38 ? 119 LEU D HD22 1 ATOM 12226 H HD23 . LEU D 1 119 ? 35.217 1.200 -4.696 1.00 11.38 ? 119 LEU D HD23 1 ATOM 12227 N N . ARG D 1 120 ? 35.945 3.679 -8.345 1.00 10.18 ? 120 ARG D N 1 ATOM 12228 C CA . ARG D 1 120 ? 37.039 3.332 -9.241 1.00 10.23 ? 120 ARG D CA 1 ATOM 12229 C C . ARG D 1 120 ? 36.726 2.188 -10.178 1.00 11.30 ? 120 ARG D C 1 ATOM 12230 O O . ARG D 1 120 ? 37.615 1.397 -10.529 1.00 11.02 ? 120 ARG D O 1 ATOM 12231 C CB . ARG D 1 120 ? 38.326 3.061 -8.436 1.00 10.01 ? 120 ARG D CB 1 ATOM 12232 C CG . ARG D 1 120 ? 38.936 4.315 -7.876 1.00 12.78 ? 120 ARG D CG 1 ATOM 12233 C CD . ARG D 1 120 ? 39.502 5.119 -9.041 1.00 19.81 ? 120 ARG D CD 1 ATOM 12234 N NE . ARG D 1 120 ? 40.601 5.959 -8.636 1.00 18.76 ? 120 ARG D NE 1 ATOM 12235 C CZ . ARG D 1 120 ? 41.304 6.702 -9.487 1.00 17.32 ? 120 ARG D CZ 1 ATOM 12236 N NH1 . ARG D 1 120 ? 40.995 6.741 -10.779 1.00 18.76 ? 120 ARG D NH1 1 ATOM 12237 N NH2 . ARG D 1 120 ? 42.298 7.434 -9.028 1.00 17.10 ? 120 ARG D NH2 1 ATOM 12238 H H . ARG D 1 120 ? 35.689 4.498 -8.409 1.00 12.20 ? 120 ARG D H 1 ATOM 12239 H HA . ARG D 1 120 ? 37.219 4.113 -9.804 1.00 12.26 ? 120 ARG D HA 1 ATOM 12240 H HB2 . ARG D 1 120 ? 38.117 2.472 -7.694 1.00 12.01 ? 120 ARG D HB2 1 ATOM 12241 H HB3 . ARG D 1 120 ? 38.980 2.643 -9.018 1.00 12.01 ? 120 ARG D HB3 1 ATOM 12242 H HG2 . ARG D 1 120 ? 38.257 4.844 -7.428 1.00 15.33 ? 120 ARG D HG2 1 ATOM 12243 H HG3 . ARG D 1 120 ? 39.658 4.090 -7.268 1.00 15.33 ? 120 ARG D HG3 1 ATOM 12244 H HD2 . ARG D 1 120 ? 39.823 4.509 -9.723 1.00 23.76 ? 120 ARG D HD2 1 ATOM 12245 H HD3 . ARG D 1 120 ? 38.805 5.688 -9.404 1.00 23.76 ? 120 ARG D HD3 1 ATOM 12246 H HE . ARG D 1 120 ? 40.945 5.854 -7.735 1.00 22.50 ? 120 ARG D HE 1 ATOM 12247 H HH11 . ARG D 1 120 ? 40.345 6.264 -11.080 1.00 22.50 ? 120 ARG D HH11 1 ATOM 12248 H HH12 . ARG D 1 120 ? 41.453 7.231 -11.317 1.00 22.50 ? 120 ARG D HH12 1 ATOM 12249 H HH21 . ARG D 1 120 ? 42.494 7.416 -8.191 1.00 20.51 ? 120 ARG D HH21 1 ATOM 12250 H HH22 . ARG D 1 120 ? 42.753 7.927 -9.565 1.00 20.51 ? 120 ARG D HH22 1 ATOM 12251 N N . GLN D 1 121 ? 35.479 2.116 -10.644 1.00 11.57 ? 121 GLN D N 1 ATOM 12252 C CA . GLN D 1 121 ? 35.136 1.110 -11.639 1.00 11.61 ? 121 GLN D CA 1 ATOM 12253 C C . GLN D 1 121 ? 36.086 1.215 -12.852 1.00 11.67 ? 121 GLN D C 1 ATOM 12254 O O . GLN D 1 121 ? 36.287 2.308 -13.408 1.00 15.10 ? 121 GLN D O 1 ATOM 12255 C CB . GLN D 1 121 ? 33.698 1.265 -12.094 1.00 13.35 ? 121 GLN D CB 1 ATOM 12256 C CG . GLN D 1 121 ? 33.263 0.223 -13.058 1.00 12.97 ? 121 GLN D CG 1 ATOM 12257 C CD . GLN D 1 121 ? 31.808 0.342 -13.430 1.00 17.79 ? 121 GLN D CD 1 ATOM 12258 O OE1 . GLN D 1 121 ? 31.245 1.444 -13.442 1.00 18.63 ? 121 GLN D OE1 1 ATOM 12259 N NE2 . GLN D 1 121 ? 31.194 -0.781 -13.755 1.00 15.08 ? 121 GLN D NE2 1 ATOM 12260 H H . GLN D 1 121 ? 34.830 2.626 -10.404 1.00 13.87 ? 121 GLN D H 1 ATOM 12261 H HA . GLN D 1 121 ? 35.239 0.218 -11.245 1.00 13.92 ? 121 GLN D HA 1 ATOM 12262 H HB2 . GLN D 1 121 ? 33.117 1.213 -11.319 1.00 16.01 ? 121 GLN D HB2 1 ATOM 12263 H HB3 . GLN D 1 121 ? 33.596 2.128 -12.524 1.00 16.01 ? 121 GLN D HB3 1 ATOM 12264 H HG2 . GLN D 1 121 ? 33.788 0.306 -13.870 1.00 15.55 ? 121 GLN D HG2 1 ATOM 12265 H HG3 . GLN D 1 121 ? 33.401 -0.651 -12.661 1.00 15.55 ? 121 GLN D HG3 1 ATOM 12266 H HE21 . GLN D 1 121 ? 30.363 -0.768 -13.976 1.00 18.08 ? 121 GLN D HE21 1 ATOM 12267 H HE22 . GLN D 1 121 ? 31.625 -1.525 -13.747 1.00 18.08 ? 121 GLN D HE22 1 ATOM 12268 N N . GLY D 1 122 ? 36.658 0.081 -13.207 1.00 11.99 ? 122 GLY D N 1 ATOM 12269 C CA . GLY D 1 122 ? 37.566 -0.012 -14.357 1.00 12.82 ? 122 GLY D CA 1 ATOM 12270 C C . GLY D 1 122 ? 39.024 0.293 -14.065 1.00 13.02 ? 122 GLY D C 1 ATOM 12271 O O . GLY D 1 122 ? 39.894 0.139 -14.966 1.00 16.69 ? 122 GLY D O 1 ATOM 12272 H H . GLY D 1 122 ? 36.540 -0.666 -12.798 1.00 14.38 ? 122 GLY D H 1 ATOM 12273 H HA2 . GLY D 1 122 ? 37.518 -0.909 -14.721 1.00 15.38 ? 122 GLY D HA2 1 ATOM 12274 H HA3 . GLY D 1 122 ? 37.266 0.605 -15.042 1.00 15.38 ? 122 GLY D HA3 1 ATOM 12275 N N . TYR D 1 123 ? 39.344 0.691 -12.843 1.00 12.87 ? 123 TYR D N 1 ATOM 12276 C CA . TYR D 1 123 ? 40.700 1.044 -12.415 1.00 12.52 ? 123 TYR D CA 1 ATOM 12277 C C . TYR D 1 123 ? 41.485 -0.207 -12.081 1.00 14.92 ? 123 TYR D C 1 ATOM 12278 O O . TYR D 1 123 ? 40.884 -1.225 -11.725 1.00 14.57 ? 123 TYR D O 1 ATOM 12279 C CB . TYR D 1 123 ? 40.601 1.942 -11.168 1.00 14.63 ? 123 TYR D CB 1 ATOM 12280 C CG . TYR D 1 123 ? 41.887 2.490 -10.636 1.00 15.05 ? 123 TYR D CG 1 ATOM 12281 C CD1 . TYR D 1 123 ? 42.546 3.520 -11.294 1.00 17.31 ? 123 TYR D CD1 1 ATOM 12282 C CD2 . TYR D 1 123 ? 42.457 1.994 -9.478 1.00 12.17 ? 123 TYR D CD2 1 ATOM 12283 C CE1 . TYR D 1 123 ? 43.727 4.007 -10.831 1.00 17.94 ? 123 TYR D CE1 1 ATOM 12284 C CE2 . TYR D 1 123 ? 43.625 2.489 -8.981 1.00 13.70 ? 123 TYR D CE2 1 ATOM 12285 C CZ . TYR D 1 123 ? 44.275 3.495 -9.668 1.00 18.47 ? 123 TYR D CZ 1 ATOM 12286 O OH . TYR D 1 123 ? 45.465 3.985 -9.216 1.00 19.76 ? 123 TYR D OH 1 ATOM 12287 H H . TYR D 1 123 ? 38.767 0.770 -12.211 1.00 15.44 ? 123 TYR D H 1 ATOM 12288 H HA . TYR D 1 123 ? 41.162 1.533 -13.127 1.00 15.01 ? 123 TYR D HA 1 ATOM 12289 H HB2 . TYR D 1 123 ? 40.034 2.699 -11.383 1.00 17.55 ? 123 TYR D HB2 1 ATOM 12290 H HB3 . TYR D 1 123 ? 40.192 1.427 -10.455 1.00 17.55 ? 123 TYR D HB3 1 ATOM 12291 H HD1 . TYR D 1 123 ? 42.190 3.860 -12.083 1.00 20.76 ? 123 TYR D HD1 1 ATOM 12292 H HD2 . TYR D 1 123 ? 42.024 1.312 -9.018 1.00 14.59 ? 123 TYR D HD2 1 ATOM 12293 H HE1 . TYR D 1 123 ? 44.161 4.689 -11.290 1.00 21.51 ? 123 TYR D HE1 1 ATOM 12294 H HE2 . TYR D 1 123 ? 43.998 2.130 -8.208 1.00 16.43 ? 123 TYR D HE2 1 ATOM 12295 H HH . TYR D 1 123 ? 46.021 3.383 -9.180 1.00 23.70 ? 123 TYR D HH 1 ATOM 12296 N N . PHE D 1 124 ? 42.814 -0.122 -12.147 1.00 14.44 ? 124 PHE D N 1 ATOM 12297 C CA . PHE D 1 124 ? 43.681 -1.194 -11.710 1.00 11.43 ? 124 PHE D CA 1 ATOM 12298 C C . PHE D 1 124 ? 44.571 -0.647 -10.611 1.00 14.01 ? 124 PHE D C 1 ATOM 12299 O O . PHE D 1 124 ? 45.264 0.388 -10.789 1.00 15.35 ? 124 PHE D O 1 ATOM 12300 C CB . PHE D 1 124 ? 44.575 -1.679 -12.862 1.00 19.37 ? 124 PHE D CB 1 ATOM 12301 C CG . PHE D 1 124 ? 43.837 -2.409 -13.951 1.00 29.71 ? 124 PHE D CG 1 ATOM 12302 C CD1 . PHE D 1 124 ? 44.022 -3.766 -14.135 1.00 44.11 ? 124 PHE D CD1 1 ATOM 12303 C CD2 . PHE D 1 124 ? 43.000 -1.734 -14.813 1.00 41.12 ? 124 PHE D CD2 1 ATOM 12304 C CE1 . PHE D 1 124 ? 43.367 -4.438 -15.152 1.00 48.83 ? 124 PHE D CE1 1 ATOM 12305 C CE2 . PHE D 1 124 ? 42.334 -2.404 -15.827 1.00 43.18 ? 124 PHE D CE2 1 ATOM 12306 C CZ . PHE D 1 124 ? 42.518 -3.759 -15.989 1.00 46.74 ? 124 PHE D CZ 1 ATOM 12307 H H . PHE D 1 124 ? 43.237 0.563 -12.449 1.00 17.32 ? 124 PHE D H 1 ATOM 12308 H HA . PHE D 1 124 ? 43.155 -1.945 -11.363 1.00 13.71 ? 124 PHE D HA 1 ATOM 12309 H HB2 . PHE D 1 124 ? 45.010 -0.910 -13.264 1.00 23.23 ? 124 PHE D HB2 1 ATOM 12310 H HB3 . PHE D 1 124 ? 45.245 -2.283 -12.504 1.00 23.23 ? 124 PHE D HB3 1 ATOM 12311 H HD1 . PHE D 1 124 ? 44.594 -4.233 -13.569 1.00 52.92 ? 124 PHE D HD1 1 ATOM 12312 H HD2 . PHE D 1 124 ? 42.869 -0.819 -14.704 1.00 49.33 ? 124 PHE D HD2 1 ATOM 12313 H HE1 . PHE D 1 124 ? 43.489 -5.354 -15.257 1.00 58.58 ? 124 PHE D HE1 1 ATOM 12314 H HE2 . PHE D 1 124 ? 41.762 -1.940 -16.395 1.00 51.81 ? 124 PHE D HE2 1 ATOM 12315 H HZ . PHE D 1 124 ? 42.075 -4.211 -16.670 1.00 56.07 ? 124 PHE D HZ 1 ATOM 12316 N N . VAL D 1 125 ? 44.542 -1.310 -9.449 1.00 14.48 ? 125 VAL D N 1 ATOM 12317 C CA . VAL D 1 125 ? 45.440 -0.955 -8.358 1.00 13.04 ? 125 VAL D CA 1 ATOM 12318 C C . VAL D 1 125 ? 46.868 -1.267 -8.792 1.00 13.23 ? 125 VAL D C 1 ATOM 12319 O O . VAL D 1 125 ? 47.161 -2.365 -9.235 1.00 15.05 ? 125 VAL D O 1 ATOM 12320 C CB . VAL D 1 125 ? 45.069 -1.738 -7.085 1.00 11.65 ? 125 VAL D CB 1 ATOM 12321 C CG1 . VAL D 1 125 ? 46.124 -1.624 -6.009 1.00 14.76 ? 125 VAL D CG1 1 ATOM 12322 C CG2 . VAL D 1 125 ? 43.749 -1.253 -6.565 1.00 15.80 ? 125 VAL D CG2 1 ATOM 12323 H H . VAL D 1 125 ? 44.013 -1.965 -9.273 1.00 17.37 ? 125 VAL D H 1 ATOM 12324 H HA . VAL D 1 125 ? 45.370 0.004 -8.170 1.00 15.64 ? 125 VAL D HA 1 ATOM 12325 H HB . VAL D 1 125 ? 44.972 -2.686 -7.313 1.00 13.97 ? 125 VAL D HB 1 ATOM 12326 H HG11 . VAL D 1 125 ? 45.843 -2.128 -5.242 1.00 17.70 ? 125 VAL D HG11 1 ATOM 12327 H HG12 . VAL D 1 125 ? 46.952 -1.974 -6.346 1.00 17.70 ? 125 VAL D HG12 1 ATOM 12328 H HG13 . VAL D 1 125 ? 46.230 -0.700 -5.773 1.00 17.70 ? 125 VAL D HG13 1 ATOM 12329 H HG21 . VAL D 1 125 ? 43.526 -1.746 -5.772 1.00 18.95 ? 125 VAL D HG21 1 ATOM 12330 H HG22 . VAL D 1 125 ? 43.819 -0.318 -6.360 1.00 18.95 ? 125 VAL D HG22 1 ATOM 12331 H HG23 . VAL D 1 125 ? 43.078 -1.392 -7.237 1.00 18.95 ? 125 VAL D HG23 1 ATOM 12332 N N . GLU D 1 126 ? 47.741 -0.286 -8.678 1.00 12.82 ? 126 GLU D N 1 ATOM 12333 C CA . GLU D 1 126 ? 49.086 -0.443 -9.181 1.00 13.23 ? 126 GLU D CA 1 ATOM 12334 C C . GLU D 1 126 ? 49.885 -1.458 -8.388 1.00 14.00 ? 126 GLU D C 1 ATOM 12335 O O . GLU D 1 126 ? 49.617 -1.710 -7.204 1.00 14.82 ? 126 GLU D O 1 ATOM 12336 C CB . GLU D 1 126 ? 49.818 0.894 -9.129 1.00 16.40 ? 126 GLU D CB 1 ATOM 12337 C CG . GLU D 1 126 ? 50.181 1.459 -10.466 1.00 35.94 ? 126 GLU D CG 1 ATOM 12338 C CD . GLU D 1 126 ? 50.890 0.439 -11.464 1.00 29.36 ? 126 GLU D CD 1 ATOM 12339 O OE1 . GLU D 1 126 ? 51.873 -0.337 -11.207 1.00 33.71 ? 126 GLU D OE1 1 ATOM 12340 O OE2 . GLU D 1 126 ? 50.447 0.379 -12.627 1.00 41.87 ? 126 GLU D OE2 1 ATOM 12341 H H . GLU D 1 126 ? 47.580 0.478 -8.316 1.00 15.37 ? 126 GLU D H 1 ATOM 12342 H HA . GLU D 1 126 ? 49.051 -0.740 -10.115 1.00 15.86 ? 126 GLU D HA 1 ATOM 12343 H HB2 . GLU D 1 126 ? 49.250 1.540 -8.681 1.00 19.67 ? 126 GLU D HB2 1 ATOM 12344 H HB3 . GLU D 1 126 ? 50.639 0.778 -8.626 1.00 19.67 ? 126 GLU D HB3 1 ATOM 12345 H HG2 . GLU D 1 126 ? 49.371 1.774 -10.897 1.00 43.11 ? 126 GLU D HG2 1 ATOM 12346 H HG3 . GLU D 1 126 ? 50.787 2.204 -10.331 1.00 43.11 ? 126 GLU D HG3 1 ATOM 12347 N N . ALA D 1 127 ? 50.850 -2.080 -9.066 1.00 17.44 ? 127 ALA D N 1 ATOM 12348 C CA . ALA D 1 127 ? 51.747 -3.037 -8.454 1.00 16.57 ? 127 ALA D CA 1 ATOM 12349 C C . ALA D 1 127 ? 53.012 -2.394 -7.857 1.00 12.66 ? 127 ALA D C 1 ATOM 12350 O O . ALA D 1 127 ? 53.164 -1.167 -7.774 1.00 14.67 ? 127 ALA D O 1 ATOM 12351 C CB . ALA D 1 127 ? 52.150 -4.077 -9.500 1.00 25.27 ? 127 ALA D CB 1 ATOM 12352 H H . ALA D 1 127 ? 51.002 -1.954 -9.903 1.00 20.92 ? 127 ALA D H 1 ATOM 12353 H HA . ALA D 1 127 ? 51.274 -3.501 -7.732 1.00 19.88 ? 127 ALA D HA 1 ATOM 12354 H HB1 . ALA D 1 127 ? 52.745 -4.713 -9.096 1.00 30.32 ? 127 ALA D HB1 1 ATOM 12355 H HB2 . ALA D 1 127 ? 51.361 -4.523 -9.818 1.00 30.32 ? 127 ALA D HB2 1 ATOM 12356 H HB3 . ALA D 1 127 ? 52.590 -3.633 -10.228 1.00 30.32 ? 127 ALA D HB3 1 ATOM 12357 N N . GLN D 1 128 ? 53.908 -3.276 -7.432 1.00 13.80 ? 128 GLN D N 1 ATOM 12358 C CA . GLN D 1 128 ? 55.122 -2.897 -6.734 1.00 12.97 ? 128 GLN D CA 1 ATOM 12359 C C . GLN D 1 128 ? 54.833 -1.970 -5.550 1.00 13.77 ? 128 GLN D C 1 ATOM 12360 O O . GLN D 1 128 ? 55.408 -0.899 -5.420 1.00 15.38 ? 128 GLN D O 1 ATOM 12361 C CB . GLN D 1 128 ? 56.166 -2.277 -7.698 1.00 14.59 ? 128 GLN D CB 1 ATOM 12362 C CG . GLN D 1 128 ? 56.615 -3.273 -8.764 1.00 22.75 ? 128 GLN D CG 1 ATOM 12363 C CD . GLN D 1 128 ? 57.690 -2.725 -9.690 1.00 41.93 ? 128 GLN D CD 1 ATOM 12364 O OE1 . GLN D 1 128 ? 57.899 -1.512 -9.784 1.00 50.20 ? 128 GLN D OE1 1 ATOM 12365 N NE2 . GLN D 1 128 ? 58.375 -3.626 -10.385 1.00 45.56 ? 128 GLN D NE2 1 ATOM 12366 H H . GLN D 1 128 ? 53.829 -4.125 -7.540 1.00 16.54 ? 128 GLN D H 1 ATOM 12367 H HA . GLN D 1 128 ? 55.523 -3.712 -6.366 1.00 15.55 ? 128 GLN D HA 1 ATOM 12368 H HB2 . GLN D 1 128 ? 55.772 -1.512 -8.145 1.00 17.50 ? 128 GLN D HB2 1 ATOM 12369 H HB3 . GLN D 1 128 ? 56.946 -2.004 -7.190 1.00 17.50 ? 128 GLN D HB3 1 ATOM 12370 H HG2 . GLN D 1 128 ? 56.974 -4.061 -8.326 1.00 27.29 ? 128 GLN D HG2 1 ATOM 12371 H HG3 . GLN D 1 128 ? 55.850 -3.517 -9.307 1.00 27.29 ? 128 GLN D HG3 1 ATOM 12372 H HE21 . GLN D 1 128 ? 58.994 -3.372 -10.924 1.00 54.66 ? 128 GLN D HE21 1 ATOM 12373 H HE22 . GLN D 1 128 ? 58.198 -4.463 -10.295 1.00 54.66 ? 128 GLN D HE22 1 ATOM 12374 N N . PRO D 1 129 ? 53.950 -2.425 -4.646 1.00 11.69 ? 129 PRO D N 1 ATOM 12375 C CA . PRO D 1 129 ? 53.629 -1.624 -3.472 1.00 11.96 ? 129 PRO D CA 1 ATOM 12376 C C . PRO D 1 129 ? 54.665 -1.666 -2.373 1.00 11.02 ? 129 PRO D C 1 ATOM 12377 O O . PRO D 1 129 ? 55.501 -2.586 -2.300 1.00 15.17 ? 129 PRO D O 1 ATOM 12378 C CB . PRO D 1 129 ? 52.354 -2.308 -2.953 1.00 11.25 ? 129 PRO D CB 1 ATOM 12379 C CG . PRO D 1 129 ? 52.615 -3.738 -3.233 1.00 12.59 ? 129 PRO D CG 1 ATOM 12380 C CD . PRO D 1 129 ? 53.256 -3.720 -4.623 1.00 13.85 ? 129 PRO D CD 1 ATOM 12381 H HA . PRO D 1 129 ? 53.435 -0.695 -3.719 1.00 14.34 ? 129 PRO D HA 1 ATOM 12382 H HB2 . PRO D 1 129 ? 52.255 -2.150 -2.001 1.00 13.49 ? 129 PRO D HB2 1 ATOM 12383 H HB3 . PRO D 1 129 ? 51.581 -1.990 -3.445 1.00 13.49 ? 129 PRO D HB3 1 ATOM 12384 H HG2 . PRO D 1 129 ? 53.227 -4.099 -2.572 1.00 15.10 ? 129 PRO D HG2 1 ATOM 12385 H HG3 . PRO D 1 129 ? 51.780 -4.232 -3.241 1.00 15.10 ? 129 PRO D HG3 1 ATOM 12386 H HD2 . PRO D 1 129 ? 53.892 -4.447 -4.714 1.00 16.61 ? 129 PRO D HD2 1 ATOM 12387 H HD3 . PRO D 1 129 ? 52.574 -3.752 -5.312 1.00 16.61 ? 129 PRO D HD3 1 ATOM 12388 N N . LYS D 1 130 ? 54.600 -0.654 -1.519 1.00 10.30 ? 130 LYS D N 1 ATOM 12389 C CA A LYS D 1 130 ? 55.091 -0.795 -0.160 0.55 10.12 ? 130 LYS D CA 1 ATOM 12390 C CA B LYS D 1 130 ? 55.089 -0.699 -0.150 0.45 10.19 ? 130 LYS D CA 1 ATOM 12391 C C . LYS D 1 130 ? 53.839 -0.871 0.718 1.00 8.35 ? 130 LYS D C 1 ATOM 12392 O O . LYS D 1 130 ? 52.888 -0.094 0.589 1.00 8.45 ? 130 LYS D O 1 ATOM 12393 C CB A LYS D 1 130 ? 56.041 0.329 0.260 0.55 9.52 ? 130 LYS D CB 1 ATOM 12394 C CB B LYS D 1 130 ? 55.784 0.608 0.222 0.45 13.63 ? 130 LYS D CB 1 ATOM 12395 C CG A LYS D 1 130 ? 57.368 0.346 -0.511 0.55 11.97 ? 130 LYS D CG 1 ATOM 12396 C CG B LYS D 1 130 ? 57.048 0.909 -0.563 0.45 18.34 ? 130 LYS D CG 1 ATOM 12397 C CD A LYS D 1 130 ? 58.354 -0.688 -0.024 0.55 19.95 ? 130 LYS D CD 1 ATOM 12398 C CD B LYS D 1 130 ? 58.134 -0.040 -0.161 0.45 16.09 ? 130 LYS D CD 1 ATOM 12399 C CE A LYS D 1 130 ? 59.696 -0.491 -0.729 0.55 28.13 ? 130 LYS D CE 1 ATOM 12400 C CE B LYS D 1 130 ? 59.479 0.422 -0.728 0.45 19.88 ? 130 LYS D CE 1 ATOM 12401 N NZ A LYS D 1 130 ? 60.245 0.869 -0.412 0.55 29.48 ? 130 LYS D NZ 1 ATOM 12402 N NZ B LYS D 1 130 ? 60.605 -0.319 -0.082 0.45 21.69 ? 130 LYS D NZ 1 ATOM 12403 H H A LYS D 1 130 ? 54.278 0.122 -1.702 0.55 12.35 ? 130 LYS D H 1 ATOM 12404 H H B LYS D 1 130 ? 54.259 0.109 -1.724 0.45 12.35 ? 130 LYS D H 1 ATOM 12405 H HA A LYS D 1 130 ? 55.572 -1.645 -0.079 0.55 12.13 ? 130 LYS D HA 1 ATOM 12406 H HA B LYS D 1 130 ? 55.698 -1.455 -0.017 0.45 12.22 ? 130 LYS D HA 1 ATOM 12407 H HB2 A LYS D 1 130 ? 55.601 1.181 0.110 0.55 11.41 ? 130 LYS D HB2 1 ATOM 12408 H HB2 B LYS D 1 130 ? 55.166 1.340 0.073 0.45 16.34 ? 130 LYS D HB2 1 ATOM 12409 H HB3 A LYS D 1 130 ? 56.247 0.227 1.202 0.55 11.41 ? 130 LYS D HB3 1 ATOM 12410 H HB3 B LYS D 1 130 ? 56.025 0.573 1.161 0.45 16.34 ? 130 LYS D HB3 1 ATOM 12411 H HG2 A LYS D 1 130 ? 57.190 0.170 -1.448 0.55 14.35 ? 130 LYS D HG2 1 ATOM 12412 H HG2 B LYS D 1 130 ? 56.876 0.799 -1.511 0.45 22.00 ? 130 LYS D HG2 1 ATOM 12413 H HG3 A LYS D 1 130 ? 57.778 1.219 -0.411 0.55 14.35 ? 130 LYS D HG3 1 ATOM 12414 H HG3 B LYS D 1 130 ? 57.342 1.814 -0.372 0.45 22.00 ? 130 LYS D HG3 1 ATOM 12415 H HD2 A LYS D 1 130 ? 58.487 -0.587 0.931 0.55 23.93 ? 130 LYS D HD2 1 ATOM 12416 H HD2 B LYS D 1 130 ? 58.200 -0.065 0.807 0.45 19.30 ? 130 LYS D HD2 1 ATOM 12417 H HD3 A LYS D 1 130 ? 58.023 -1.576 -0.231 0.55 23.93 ? 130 LYS D HD3 1 ATOM 12418 H HD3 B LYS D 1 130 ? 57.939 -0.923 -0.512 0.45 19.30 ? 130 LYS D HD3 1 ATOM 12419 H HE2 A LYS D 1 130 ? 60.327 -1.159 -0.418 0.55 33.74 ? 130 LYS D HE2 1 ATOM 12420 H HE2 B LYS D 1 130 ? 59.504 0.247 -1.682 0.45 23.84 ? 130 LYS D HE2 1 ATOM 12421 H HE3 A LYS D 1 130 ? 59.572 -0.559 -1.688 0.55 33.74 ? 130 LYS D HE3 1 ATOM 12422 H HE3 B LYS D 1 130 ? 59.595 1.369 -0.554 0.45 23.84 ? 130 LYS D HE3 1 ATOM 12423 H HZ1 A LYS D 1 130 ? 59.633 1.547 -0.709 0.55 35.36 ? 130 LYS D HZ1 1 ATOM 12424 H HZ1 B LYS D 1 130 ? 61.443 -0.023 -0.444 0.45 26.01 ? 130 LYS D HZ1 1 ATOM 12425 H HZ2 A LYS D 1 130 ? 60.373 0.959 0.535 0.55 35.36 ? 130 LYS D HZ2 1 ATOM 12426 H HZ2 B LYS D 1 130 ? 60.601 -0.161 0.865 0.45 26.01 ? 130 LYS D HZ2 1 ATOM 12427 H HZ3 A LYS D 1 130 ? 61.088 0.994 -0.854 0.55 35.36 ? 130 LYS D HZ3 1 ATOM 12428 H HZ3 B LYS D 1 130 ? 60.512 -1.261 -0.241 0.45 26.01 ? 130 LYS D HZ3 1 ATOM 12429 N N . ILE D 1 131 ? 53.842 -1.899 1.558 1.00 9.59 ? 131 ILE D N 1 ATOM 12430 C CA . ILE D 1 131 ? 52.707 -2.245 2.400 1.00 8.77 ? 131 ILE D CA 1 ATOM 12431 C C . ILE D 1 131 ? 53.134 -2.159 3.845 1.00 8.87 ? 131 ILE D C 1 ATOM 12432 O O . ILE D 1 131 ? 54.125 -2.786 4.268 1.00 10.07 ? 131 ILE D O 1 ATOM 12433 C CB . ILE D 1 131 ? 52.203 -3.647 2.109 1.00 9.47 ? 131 ILE D CB 1 ATOM 12434 C CG1 . ILE D 1 131 ? 51.815 -3.774 0.630 1.00 10.60 ? 131 ILE D CG1 1 ATOM 12435 C CG2 . ILE D 1 131 ? 51.024 -4.001 3.032 1.00 8.78 ? 131 ILE D CG2 1 ATOM 12436 C CD1 . ILE D 1 131 ? 51.393 -5.214 0.236 1.00 13.16 ? 131 ILE D CD1 1 ATOM 12437 H H . ILE D 1 131 ? 54.513 -2.427 1.659 1.00 11.49 ? 131 ILE D H 1 ATOM 12438 H HA . ILE D 1 131 ? 51.976 -1.610 2.249 1.00 10.51 ? 131 ILE D HA 1 ATOM 12439 H HB . ILE D 1 131 ? 52.924 -4.271 2.287 1.00 11.35 ? 131 ILE D HB 1 ATOM 12440 H HG12 . ILE D 1 131 ? 51.068 -3.183 0.449 1.00 12.70 ? 131 ILE D HG12 1 ATOM 12441 H HG13 . ILE D 1 131 ? 52.576 -3.525 0.083 1.00 12.70 ? 131 ILE D HG13 1 ATOM 12442 H HG21 . ILE D 1 131 ? 50.724 -4.890 2.829 1.00 10.52 ? 131 ILE D HG21 1 ATOM 12443 H HG22 . ILE D 1 131 ? 51.318 -3.954 3.945 1.00 10.52 ? 131 ILE D HG22 1 ATOM 12444 H HG23 . ILE D 1 131 ? 50.313 -3.373 2.884 1.00 10.52 ? 131 ILE D HG23 1 ATOM 12445 H HD11 . ILE D 1 131 ? 51.164 -5.227 -0.696 1.00 15.77 ? 131 ILE D HD11 1 ATOM 12446 H HD12 . ILE D 1 131 ? 52.126 -5.811 0.402 1.00 15.77 ? 131 ILE D HD12 1 ATOM 12447 H HD13 . ILE D 1 131 ? 50.634 -5.472 0.764 1.00 15.77 ? 131 ILE D HD13 1 ATOM 12448 N N . VAL D 1 132 ? 52.426 -1.330 4.613 1.00 7.07 ? 132 VAL D N 1 ATOM 12449 C CA . VAL D 1 132 ? 52.800 -1.022 5.964 1.00 8.09 ? 132 VAL D CA 1 ATOM 12450 C C . VAL D 1 132 ? 51.640 -1.252 6.921 1.00 7.92 ? 132 VAL D C 1 ATOM 12451 O O . VAL D 1 132 ? 50.486 -0.846 6.648 1.00 8.93 ? 132 VAL D O 1 ATOM 12452 C CB . VAL D 1 132 ? 53.276 0.451 6.094 1.00 8.58 ? 132 VAL D CB 1 ATOM 12453 C CG1 . VAL D 1 132 ? 53.555 0.842 7.529 1.00 10.41 ? 132 VAL D CG1 1 ATOM 12454 C CG2 . VAL D 1 132 ? 54.544 0.670 5.240 1.00 9.16 ? 132 VAL D CG2 1 ATOM 12455 H H . VAL D 1 132 ? 51.710 -0.931 4.355 1.00 8.47 ? 132 VAL D H 1 ATOM 12456 H HA . VAL D 1 132 ? 53.539 -1.606 6.235 1.00 9.69 ? 132 VAL D HA 1 ATOM 12457 H HB . VAL D 1 132 ? 52.575 1.043 5.750 1.00 10.29 ? 132 VAL D HB 1 ATOM 12458 H HG11 . VAL D 1 132 ? 53.845 1.757 7.552 1.00 12.48 ? 132 VAL D HG11 1 ATOM 12459 H HG12 . VAL D 1 132 ? 52.751 0.739 8.042 1.00 12.48 ? 132 VAL D HG12 1 ATOM 12460 H HG13 . VAL D 1 132 ? 54.243 0.271 7.879 1.00 12.48 ? 132 VAL D HG13 1 ATOM 12461 H HG21 . VAL D 1 132 ? 54.826 1.584 5.330 1.00 10.98 ? 132 VAL D HG21 1 ATOM 12462 H HG22 . VAL D 1 132 ? 55.236 0.082 5.552 1.00 10.98 ? 132 VAL D HG22 1 ATOM 12463 H HG23 . VAL D 1 132 ? 54.340 0.479 4.322 1.00 10.98 ? 132 VAL D HG23 1 ATOM 12464 N N . LEU D 1 133 ? 51.954 -1.924 8.033 1.00 8.52 ? 133 LEU D N 1 ATOM 12465 C CA . LEU D 1 133 ? 51.075 -1.986 9.210 1.00 8.58 ? 133 LEU D CA 1 ATOM 12466 C C . LEU D 1 133 ? 51.676 -1.095 10.287 1.00 7.86 ? 133 LEU D C 1 ATOM 12467 O O . LEU D 1 133 ? 52.894 -1.038 10.462 1.00 8.82 ? 133 LEU D O 1 ATOM 12468 C CB . LEU D 1 133 ? 51.014 -3.404 9.785 1.00 8.54 ? 133 LEU D CB 1 ATOM 12469 C CG . LEU D 1 133 ? 50.545 -4.532 8.882 1.00 7.65 ? 133 LEU D CG 1 ATOM 12470 C CD1 . LEU D 1 133 ? 50.556 -5.847 9.681 1.00 11.33 ? 133 LEU D CD1 1 ATOM 12471 C CD2 . LEU D 1 133 ? 49.174 -4.280 8.301 1.00 10.39 ? 133 LEU D CD2 1 ATOM 12472 H H . LEU D 1 133 ? 52.688 -2.363 8.132 1.00 10.21 ? 133 LEU D H 1 ATOM 12473 H HA . LEU D 1 133 ? 50.172 -1.677 8.989 1.00 10.28 ? 133 LEU D HA 1 ATOM 12474 H HB2 . LEU D 1 133 ? 51.905 -3.639 10.087 1.00 10.24 ? 133 LEU D HB2 1 ATOM 12475 H HB3 . LEU D 1 133 ? 50.416 -3.388 10.548 1.00 10.24 ? 133 LEU D HB3 1 ATOM 12476 H HG . LEU D 1 133 ? 51.168 -4.626 8.145 1.00 9.16 ? 133 LEU D HG 1 ATOM 12477 H HD11 . LEU D 1 133 ? 50.260 -6.561 9.112 1.00 13.58 ? 133 LEU D HD11 1 ATOM 12478 H HD12 . LEU D 1 133 ? 51.451 -6.020 9.985 1.00 13.58 ? 133 LEU D HD12 1 ATOM 12479 H HD13 . LEU D 1 133 ? 49.966 -5.760 10.433 1.00 13.58 ? 133 LEU D HD13 1 ATOM 12480 H HD21 . LEU D 1 133 ? 48.930 -5.022 7.742 1.00 12.46 ? 133 LEU D HD21 1 ATOM 12481 H HD22 . LEU D 1 133 ? 48.543 -4.190 9.019 1.00 12.46 ? 133 LEU D HD22 1 ATOM 12482 H HD23 . LEU D 1 133 ? 49.198 -3.473 7.782 1.00 12.46 ? 133 LEU D HD23 1 ATOM 12483 N N . GLY D 1 134 ? 50.812 -0.424 11.046 1.00 7.32 ? 134 GLY D N 1 ATOM 12484 C CA . GLY D 1 134 ? 51.242 0.387 12.165 1.00 7.93 ? 134 GLY D CA 1 ATOM 12485 C C . GLY D 1 134 ? 51.301 1.882 11.905 1.00 7.28 ? 134 GLY D C 1 ATOM 12486 O O . GLY D 1 134 ? 51.218 2.677 12.847 1.00 8.33 ? 134 GLY D O 1 ATOM 12487 H H . GLY D 1 134 ? 49.961 -0.427 10.927 1.00 8.77 ? 134 GLY D H 1 ATOM 12488 H HA2 . GLY D 1 134 ? 50.638 0.239 12.909 1.00 9.51 ? 134 GLY D HA2 1 ATOM 12489 H HA3 . GLY D 1 134 ? 52.128 0.099 12.437 1.00 9.51 ? 134 GLY D HA3 1 ATOM 12490 N N . GLN D 1 135 ? 51.465 2.245 10.641 1.00 8.68 ? 135 GLN D N 1 ATOM 12491 C CA . GLN D 1 135 ? 51.532 3.662 10.259 1.00 9.08 ? 135 GLN D CA 1 ATOM 12492 C C . GLN D 1 135 ? 50.811 3.822 8.931 1.00 8.97 ? 135 GLN D C 1 ATOM 12493 O O . GLN D 1 135 ? 50.660 2.867 8.176 1.00 9.68 ? 135 GLN D O 1 ATOM 12494 C CB . GLN D 1 135 ? 52.985 4.111 10.096 1.00 8.79 ? 135 GLN D CB 1 ATOM 12495 C CG . GLN D 1 135 ? 53.883 3.957 11.327 1.00 9.50 ? 135 GLN D CG 1 ATOM 12496 C CD . GLN D 1 135 ? 53.529 4.907 12.451 1.00 9.38 ? 135 GLN D CD 1 ATOM 12497 O OE1 . GLN D 1 135 ? 52.926 5.981 12.243 1.00 10.19 ? 135 GLN D OE1 1 ATOM 12498 N NE2 . GLN D 1 135 ? 53.901 4.529 13.662 1.00 8.38 ? 135 GLN D NE2 1 ATOM 12499 H H . GLN D 1 135 ? 51.540 1.698 9.982 1.00 10.41 ? 135 GLN D H 1 ATOM 12500 H HA . GLN D 1 135 ? 51.093 4.218 10.936 1.00 10.89 ? 135 GLN D HA 1 ATOM 12501 H HB2 . GLN D 1 135 ? 53.385 3.592 9.381 1.00 10.54 ? 135 GLN D HB2 1 ATOM 12502 H HB3 . GLN D 1 135 ? 52.987 5.050 9.852 1.00 10.54 ? 135 GLN D HB3 1 ATOM 12503 H HG2 . GLN D 1 135 ? 53.799 3.052 11.666 1.00 11.39 ? 135 GLN D HG2 1 ATOM 12504 H HG3 . GLN D 1 135 ? 54.801 4.130 11.069 1.00 11.39 ? 135 GLN D HG3 1 ATOM 12505 H HE21 . GLN D 1 135 ? 53.727 5.028 14.340 1.00 10.04 ? 135 GLN D HE21 1 ATOM 12506 H HE22 . GLN D 1 135 ? 54.316 3.784 13.771 1.00 10.04 ? 135 GLN D HE22 1 ATOM 12507 N N . GLU D 1 136 ? 50.371 5.041 8.659 1.00 8.03 ? 136 GLU D N 1 ATOM 12508 C CA . GLU D 1 136 ? 49.797 5.413 7.385 1.00 7.60 ? 136 GLU D CA 1 ATOM 12509 C C . GLU D 1 136 ? 50.876 6.091 6.536 1.00 8.94 ? 136 GLU D C 1 ATOM 12510 O O . GLU D 1 136 ? 51.537 7.053 7.012 1.00 10.24 ? 136 GLU D O 1 ATOM 12511 C CB . GLU D 1 136 ? 48.660 6.402 7.667 1.00 9.88 ? 136 GLU D CB 1 ATOM 12512 C CG . GLU D 1 136 ? 47.567 6.481 6.607 1.00 9.85 ? 136 GLU D CG 1 ATOM 12513 C CD . GLU D 1 136 ? 47.982 7.200 5.340 1.00 8.99 ? 136 GLU D CD 1 ATOM 12514 O OE1 . GLU D 1 136 ? 48.527 8.322 5.471 1.00 9.65 ? 136 GLU D OE1 1 ATOM 12515 O OE2 . GLU D 1 136 ? 47.749 6.705 4.218 1.00 8.91 ? 136 GLU D OE2 1 ATOM 12516 H H . GLU D 1 136 ? 50.396 5.691 9.221 1.00 9.63 ? 136 GLU D H 1 ATOM 12517 H HA . GLU D 1 136 ? 49.447 4.627 6.915 1.00 9.11 ? 136 GLU D HA 1 ATOM 12518 H HB2 . GLU D 1 136 ? 48.237 6.150 8.502 1.00 11.84 ? 136 GLU D HB2 1 ATOM 12519 H HB3 . GLU D 1 136 ? 49.043 7.289 7.754 1.00 11.84 ? 136 GLU D HB3 1 ATOM 12520 H HG2 . GLU D 1 136 ? 47.304 5.580 6.363 1.00 11.81 ? 136 GLU D HG2 1 ATOM 12521 H HG3 . GLU D 1 136 ? 46.806 6.955 6.980 1.00 11.81 ? 136 GLU D HG3 1 ATOM 12522 N N . GLN D 1 137 ? 51.094 5.601 5.327 1.00 7.63 ? 137 GLN D N 1 ATOM 12523 C CA . GLN D 1 137 ? 52.143 6.170 4.452 1.00 6.69 ? 137 GLN D CA 1 ATOM 12524 C C . GLN D 1 137 ? 51.573 7.374 3.739 1.00 8.91 ? 137 GLN D C 1 ATOM 12525 O O . GLN D 1 137 ? 50.477 7.322 3.235 1.00 8.48 ? 137 GLN D O 1 ATOM 12526 C CB . GLN D 1 137 ? 52.535 5.189 3.378 1.00 8.51 ? 137 GLN D CB 1 ATOM 12527 C CG . GLN D 1 137 ? 53.244 3.949 3.849 1.00 9.21 ? 137 GLN D CG 1 ATOM 12528 C CD . GLN D 1 137 ? 53.425 2.955 2.720 1.00 12.20 ? 137 GLN D CD 1 ATOM 12529 O OE1 . GLN D 1 137 ? 54.360 3.044 1.916 1.00 13.72 ? 137 GLN D OE1 1 ATOM 12530 N NE2 . GLN D 1 137 ? 52.500 2.023 2.601 1.00 8.57 ? 137 GLN D NE2 1 ATOM 12531 H H . GLN D 1 137 ? 50.660 4.945 4.979 1.00 9.15 ? 137 GLN D H 1 ATOM 12532 H HA . GLN D 1 137 ? 52.932 6.431 4.971 1.00 8.01 ? 137 GLN D HA 1 ATOM 12533 H HB2 . GLN D 1 137 ? 51.731 4.904 2.916 1.00 10.20 ? 137 GLN D HB2 1 ATOM 12534 H HB3 . GLN D 1 137 ? 53.124 5.639 2.753 1.00 10.20 ? 137 GLN D HB3 1 ATOM 12535 H HG2 . GLN D 1 137 ? 54.122 4.190 4.186 1.00 11.04 ? 137 GLN D HG2 1 ATOM 12536 H HG3 . GLN D 1 137 ? 52.721 3.525 4.547 1.00 11.04 ? 137 GLN D HG3 1 ATOM 12537 H HE21 . GLN D 1 137 ? 52.558 1.436 1.976 1.00 10.28 ? 137 GLN D HE21 1 ATOM 12538 H HE22 . GLN D 1 137 ? 51.838 2.003 3.150 1.00 10.28 ? 137 GLN D HE22 1 ATOM 12539 N N . ASP D 1 138 ? 52.385 8.438 3.610 1.00 9.07 ? 138 ASP D N 1 ATOM 12540 C CA . ASP D 1 138 ? 52.112 9.508 2.627 1.00 9.47 ? 138 ASP D CA 1 ATOM 12541 C C . ASP D 1 138 ? 53.158 9.562 1.515 1.00 11.41 ? 138 ASP D C 1 ATOM 12542 O O . ASP D 1 138 ? 52.967 10.277 0.536 1.00 11.56 ? 138 ASP D O 1 ATOM 12543 C CB . ASP D 1 138 ? 51.990 10.874 3.306 1.00 11.12 ? 138 ASP D CB 1 ATOM 12544 C CG . ASP D 1 138 ? 50.712 11.038 4.028 1.00 9.46 ? 138 ASP D CG 1 ATOM 12545 O OD1 . ASP D 1 138 ? 49.741 10.289 3.731 1.00 9.99 ? 138 ASP D OD1 1 ATOM 12546 O OD2 . ASP D 1 138 ? 50.631 11.933 4.916 1.00 13.03 ? 138 ASP D OD2 1 ATOM 12547 H H . ASP D 1 138 ? 53.097 8.563 4.076 1.00 10.88 ? 138 ASP D H 1 ATOM 12548 H HA . ASP D 1 138 ? 51.249 9.318 2.203 1.00 11.35 ? 138 ASP D HA 1 ATOM 12549 H HB2 . ASP D 1 138 ? 52.712 10.974 3.947 1.00 13.33 ? 138 ASP D HB2 1 ATOM 12550 H HB3 . ASP D 1 138 ? 52.046 11.569 2.632 1.00 13.33 ? 138 ASP D HB3 1 ATOM 12551 N N . SER D 1 139 ? 54.237 8.796 1.630 1.00 9.85 ? 139 SER D N 1 ATOM 12552 C CA . SER D 1 139 ? 55.191 8.605 0.522 1.00 11.77 ? 139 SER D CA 1 ATOM 12553 C C . SER D 1 139 ? 55.327 7.131 0.163 1.00 13.23 ? 139 SER D C 1 ATOM 12554 O O . SER D 1 139 ? 54.590 6.280 0.668 1.00 11.41 ? 139 SER D O 1 ATOM 12555 C CB . SER D 1 139 ? 56.544 9.160 0.926 1.00 12.42 ? 139 SER D CB 1 ATOM 12556 O OG . SER D 1 139 ? 57.161 8.346 1.917 1.00 13.86 ? 139 SER D OG 1 ATOM 12557 H H . SER D 1 139 ? 54.448 8.366 2.345 1.00 11.80 ? 139 SER D H 1 ATOM 12558 H HA . SER D 1 139 ? 54.878 9.092 -0.269 1.00 14.11 ? 139 SER D HA 1 ATOM 12559 H HB2 . SER D 1 139 ? 57.117 9.191 0.144 1.00 14.89 ? 139 SER D HB2 1 ATOM 12560 H HB3 . SER D 1 139 ? 56.423 10.054 1.283 1.00 14.89 ? 139 SER D HB3 1 ATOM 12561 H HG . SER D 1 139 ? 57.890 8.660 2.124 1.00 16.62 ? 139 SER D HG 1 ATOM 12562 N N . TYR D 1 140 ? 56.267 6.790 -0.710 1.00 12.64 ? 140 TYR D N 1 ATOM 12563 C CA . TYR D 1 140 ? 56.487 5.412 -1.072 1.00 11.43 ? 140 TYR D CA 1 ATOM 12564 C C . TYR D 1 140 ? 57.347 4.787 0.003 1.00 13.05 ? 140 TYR D C 1 ATOM 12565 O O . TYR D 1 140 ? 58.588 4.849 -0.034 1.00 14.93 ? 140 TYR D O 1 ATOM 12566 C CB . TYR D 1 140 ? 57.106 5.317 -2.447 1.00 11.30 ? 140 TYR D CB 1 ATOM 12567 C CG . TYR D 1 140 ? 57.281 3.904 -2.982 1.00 12.05 ? 140 TYR D CG 1 ATOM 12568 C CD1 . TYR D 1 140 ? 56.188 3.063 -3.168 1.00 13.80 ? 140 TYR D CD1 1 ATOM 12569 C CD2 . TYR D 1 140 ? 58.526 3.429 -3.365 1.00 12.44 ? 140 TYR D CD2 1 ATOM 12570 C CE1 . TYR D 1 140 ? 56.331 1.792 -3.690 1.00 12.71 ? 140 TYR D CE1 1 ATOM 12571 C CE2 . TYR D 1 140 ? 58.677 2.151 -3.893 1.00 14.38 ? 140 TYR D CE2 1 ATOM 12572 C CZ . TYR D 1 140 ? 57.583 1.343 -4.054 1.00 13.59 ? 140 TYR D CZ 1 ATOM 12573 O OH . TYR D 1 140 ? 57.770 0.097 -4.575 1.00 16.41 ? 140 TYR D OH 1 ATOM 12574 H H . TYR D 1 140 ? 56.789 7.347 -1.106 1.00 15.16 ? 140 TYR D H 1 ATOM 12575 H HA . TYR D 1 140 ? 55.628 4.941 -1.089 1.00 13.70 ? 140 TYR D HA 1 ATOM 12576 H HB2 . TYR D 1 140 ? 56.541 5.798 -3.072 1.00 13.55 ? 140 TYR D HB2 1 ATOM 12577 H HB3 . TYR D 1 140 ? 57.983 5.730 -2.419 1.00 13.55 ? 140 TYR D HB3 1 ATOM 12578 H HD1 . TYR D 1 140 ? 55.341 3.363 -2.932 1.00 16.55 ? 140 TYR D HD1 1 ATOM 12579 H HD2 . TYR D 1 140 ? 59.273 3.974 -3.267 1.00 14.92 ? 140 TYR D HD2 1 ATOM 12580 H HE1 . TYR D 1 140 ? 55.587 1.243 -3.798 1.00 15.23 ? 140 TYR D HE1 1 ATOM 12581 H HE2 . TYR D 1 140 ? 59.520 1.846 -4.136 1.00 17.24 ? 140 TYR D HE2 1 ATOM 12582 H HH . TYR D 1 140 ? 57.340 0.015 -5.268 1.00 19.68 ? 140 TYR D HH 1 ATOM 12583 N N . GLY D 1 141 ? 56.681 4.298 1.042 1.00 10.34 ? 141 GLY D N 1 ATOM 12584 C CA . GLY D 1 141 ? 57.340 3.630 2.140 1.00 13.21 ? 141 GLY D CA 1 ATOM 12585 C C . GLY D 1 141 ? 57.485 4.442 3.411 1.00 13.66 ? 141 GLY D C 1 ATOM 12586 O O . GLY D 1 141 ? 58.027 3.934 4.403 1.00 19.37 ? 141 GLY D O 1 ATOM 12587 H H . GLY D 1 141 ? 55.827 4.346 1.131 1.00 12.40 ? 141 GLY D H 1 ATOM 12588 H HA2 . GLY D 1 141 ? 56.844 2.825 2.358 1.00 15.84 ? 141 GLY D HA2 1 ATOM 12589 H HA3 . GLY D 1 141 ? 58.228 3.364 1.855 1.00 15.84 ? 141 GLY D HA3 1 ATOM 12590 N N . GLY D 1 142 ? 56.985 5.680 3.434 1.00 11.16 ? 142 GLY D N 1 ATOM 12591 C CA . GLY D 1 142 ? 57.237 6.574 4.545 1.00 11.17 ? 142 GLY D CA 1 ATOM 12592 C C . GLY D 1 142 ? 56.297 7.742 4.719 1.00 11.06 ? 142 GLY D C 1 ATOM 12593 O O . GLY D 1 142 ? 55.124 7.661 4.358 1.00 10.93 ? 142 GLY D O 1 ATOM 12594 H H . GLY D 1 142 ? 56.497 6.019 2.812 1.00 13.38 ? 142 GLY D H 1 ATOM 12595 H HA2 . GLY D 1 142 ? 57.214 6.058 5.366 1.00 13.40 ? 142 GLY D HA2 1 ATOM 12596 H HA3 . GLY D 1 142 ? 58.133 6.934 4.451 1.00 13.40 ? 142 GLY D HA3 1 ATOM 12597 N N . LYS D 1 143 ? 56.824 8.821 5.277 1.00 13.17 ? 143 LYS D N 1 ATOM 12598 C CA . LYS D 1 143 ? 56.071 10.020 5.607 1.00 10.91 ? 143 LYS D CA 1 ATOM 12599 C C . LYS D 1 143 ? 54.856 9.659 6.447 1.00 11.17 ? 143 LYS D C 1 ATOM 12600 O O . LYS D 1 143 ? 53.710 9.945 6.097 1.00 12.72 ? 143 LYS D O 1 ATOM 12601 C CB . LYS D 1 143 ? 55.681 10.841 4.383 1.00 14.88 ? 143 LYS D CB 1 ATOM 12602 C CG . LYS D 1 143 ? 56.844 11.543 3.692 1.00 26.55 ? 143 LYS D CG 1 ATOM 12603 C CD . LYS D 1 143 ? 56.307 12.553 2.698 1.00 41.11 ? 143 LYS D CD 1 ATOM 12604 C CE . LYS D 1 143 ? 55.446 13.594 3.410 1.00 37.11 ? 143 LYS D CE 1 ATOM 12605 N NZ . LYS D 1 143 ? 56.274 14.344 4.394 1.00 42.02 ? 143 LYS D NZ 1 ATOM 12606 H H . LYS D 1 143 ? 57.656 8.884 5.483 1.00 15.79 ? 143 LYS D H 1 ATOM 12607 H HA . LYS D 1 143 ? 56.642 10.591 6.162 1.00 13.08 ? 143 LYS D HA 1 ATOM 12608 H HB2 . LYS D 1 143 ? 55.267 10.251 3.734 1.00 17.85 ? 143 LYS D HB2 1 ATOM 12609 H HB3 . LYS D 1 143 ? 55.047 11.522 4.656 1.00 17.85 ? 143 LYS D HB3 1 ATOM 12610 H HG2 . LYS D 1 143 ? 57.380 12.012 4.351 1.00 31.85 ? 143 LYS D HG2 1 ATOM 12611 H HG3 . LYS D 1 143 ? 57.381 10.892 3.214 1.00 31.85 ? 143 LYS D HG3 1 ATOM 12612 H HD2 . LYS D 1 143 ? 57.047 13.008 2.267 1.00 49.32 ? 143 LYS D HD2 1 ATOM 12613 H HD3 . LYS D 1 143 ? 55.758 12.098 2.040 1.00 49.32 ? 143 LYS D HD3 1 ATOM 12614 H HE2 . LYS D 1 143 ? 55.092 14.223 2.761 1.00 44.52 ? 143 LYS D HE2 1 ATOM 12615 H HE3 . LYS D 1 143 ? 54.725 13.152 3.885 1.00 44.52 ? 143 LYS D HE3 1 ATOM 12616 H HZ1 . LYS D 1 143 ? 56.996 14.788 3.943 1.00 50.41 ? 143 LYS D HZ1 1 ATOM 12617 H HZ2 . LYS D 1 143 ? 55.736 14.999 4.843 1.00 50.41 ? 143 LYS D HZ2 1 ATOM 12618 H HZ3 . LYS D 1 143 ? 56.637 13.739 5.045 1.00 50.41 ? 143 LYS D HZ3 1 ATOM 12619 N N . PHE D 1 144 ? 55.169 9.056 7.575 1.00 11.35 ? 144 PHE D N 1 ATOM 12620 C CA . PHE D 1 144 ? 54.174 8.661 8.576 1.00 10.43 ? 144 PHE D CA 1 ATOM 12621 C C . PHE D 1 144 ? 53.645 9.840 9.387 1.00 12.43 ? 144 PHE D C 1 ATOM 12622 O O . PHE D 1 144 ? 54.224 10.946 9.372 1.00 13.46 ? 144 PHE D O 1 ATOM 12623 C CB . PHE D 1 144 ? 54.786 7.610 9.508 1.00 9.92 ? 144 PHE D CB 1 ATOM 12624 C CG . PHE D 1 144 ? 55.371 6.416 8.811 1.00 10.18 ? 144 PHE D CG 1 ATOM 12625 C CD1 . PHE D 1 144 ? 54.744 5.842 7.732 1.00 10.51 ? 144 PHE D CD1 1 ATOM 12626 C CD2 . PHE D 1 144 ? 56.524 5.821 9.288 1.00 12.52 ? 144 PHE D CD2 1 ATOM 12627 C CE1 . PHE D 1 144 ? 55.272 4.726 7.110 1.00 11.14 ? 144 PHE D CE1 1 ATOM 12628 C CE2 . PHE D 1 144 ? 57.066 4.712 8.667 1.00 15.34 ? 144 PHE D CE2 1 ATOM 12629 C CZ . PHE D 1 144 ? 56.429 4.156 7.576 1.00 11.80 ? 144 PHE D CZ 1 ATOM 12630 H H . PHE D 1 144 ? 55.974 8.854 7.798 1.00 13.61 ? 144 PHE D H 1 ATOM 12631 H HA . PHE D 1 144 ? 53.412 8.248 8.118 1.00 12.50 ? 144 PHE D HA 1 ATOM 12632 H HB2 . PHE D 1 144 ? 55.495 8.027 10.021 1.00 11.90 ? 144 PHE D HB2 1 ATOM 12633 H HB3 . PHE D 1 144 ? 54.095 7.289 10.109 1.00 11.90 ? 144 PHE D HB3 1 ATOM 12634 H HD1 . PHE D 1 144 ? 53.958 6.218 7.406 1.00 12.60 ? 144 PHE D HD1 1 ATOM 12635 H HD2 . PHE D 1 144 ? 56.959 6.192 10.022 1.00 15.01 ? 144 PHE D HD2 1 ATOM 12636 H HE1 . PHE D 1 144 ? 54.842 4.360 6.372 1.00 13.35 ? 144 PHE D HE1 1 ATOM 12637 H HE2 . PHE D 1 144 ? 57.850 4.333 8.992 1.00 18.39 ? 144 PHE D HE2 1 ATOM 12638 H HZ . PHE D 1 144 ? 56.787 3.408 7.154 1.00 14.15 ? 144 PHE D HZ 1 ATOM 12639 N N . ASP D 1 145 ? 52.556 9.603 10.127 1.00 10.42 ? 145 ASP D N 1 ATOM 12640 C CA . ASP D 1 145 ? 51.884 10.618 10.912 1.00 10.92 ? 145 ASP D CA 1 ATOM 12641 C C . ASP D 1 145 ? 51.427 9.976 12.237 1.00 11.62 ? 145 ASP D C 1 ATOM 12642 O O . ASP D 1 145 ? 50.582 9.070 12.251 1.00 10.87 ? 145 ASP D O 1 ATOM 12643 C CB . ASP D 1 145 ? 50.693 11.139 10.108 1.00 10.92 ? 145 ASP D CB 1 ATOM 12644 C CG . ASP D 1 145 ? 49.855 12.179 10.854 1.00 13.08 ? 145 ASP D CG 1 ATOM 12645 O OD1 . ASP D 1 145 ? 49.993 12.322 12.090 1.00 14.24 ? 145 ASP D OD1 1 ATOM 12646 O OD2 . ASP D 1 145 ? 49.007 12.822 10.175 1.00 14.83 ? 145 ASP D OD2 1 ATOM 12647 H H . ASP D 1 145 ? 52.183 8.830 10.185 1.00 12.49 ? 145 ASP D H 1 ATOM 12648 H HA . ASP D 1 145 ? 52.495 11.360 11.105 1.00 13.09 ? 145 ASP D HA 1 ATOM 12649 H HB2 . ASP D 1 145 ? 51.022 11.551 9.294 1.00 13.10 ? 145 ASP D HB2 1 ATOM 12650 H HB3 . ASP D 1 145 ? 50.113 10.393 9.888 1.00 13.10 ? 145 ASP D HB3 1 ATOM 12651 N N . ARG D 1 146 ? 51.976 10.408 13.362 1.00 11.51 ? 146 ARG D N 1 ATOM 12652 C CA . ARG D 1 146 ? 51.664 9.832 14.658 1.00 11.83 ? 146 ARG D CA 1 ATOM 12653 C C . ARG D 1 146 ? 50.159 9.787 14.944 1.00 12.26 ? 146 ARG D C 1 ATOM 12654 O O . ARG D 1 146 ? 49.669 8.828 15.560 1.00 10.71 ? 146 ARG D O 1 ATOM 12655 C CB . ARG D 1 146 ? 52.377 10.668 15.741 1.00 19.00 ? 146 ARG D CB 1 ATOM 12656 C CG . ARG D 1 146 ? 52.191 10.221 17.118 1.00 21.38 ? 146 ARG D CG 1 ATOM 12657 C CD . ARG D 1 146 ? 52.856 11.264 18.052 1.00 23.80 ? 146 ARG D CD 1 ATOM 12658 N NE . ARG D 1 146 ? 52.723 10.792 19.414 1.00 28.79 ? 146 ARG D NE 1 ATOM 12659 C CZ . ARG D 1 146 ? 53.711 10.282 20.139 1.00 31.05 ? 146 ARG D CZ 1 ATOM 12660 N NH1 . ARG D 1 146 ? 54.942 10.212 19.648 1.00 30.17 ? 146 ARG D NH1 1 ATOM 12661 N NH2 . ARG D 1 146 ? 53.455 9.865 21.371 1.00 37.45 ? 146 ARG D NH2 1 ATOM 12662 H H . ARG D 1 146 ? 52.547 11.051 13.401 1.00 13.80 ? 146 ARG D H 1 ATOM 12663 H HA . ARG D 1 146 ? 52.012 8.916 14.697 1.00 14.18 ? 146 ARG D HA 1 ATOM 12664 H HB2 . ARG D 1 146 ? 53.330 10.654 15.559 1.00 22.78 ? 146 ARG D HB2 1 ATOM 12665 H HB3 . ARG D 1 146 ? 52.051 11.580 15.686 1.00 22.78 ? 146 ARG D HB3 1 ATOM 12666 H HG2 . ARG D 1 146 ? 51.244 10.172 17.324 1.00 25.64 ? 146 ARG D HG2 1 ATOM 12667 H HG3 . ARG D 1 146 ? 52.620 9.362 17.248 1.00 25.64 ? 146 ARG D HG3 1 ATOM 12668 H HD2 . ARG D 1 146 ? 53.798 11.346 17.838 1.00 28.54 ? 146 ARG D HD2 1 ATOM 12669 H HD3 . ARG D 1 146 ? 52.405 12.118 17.970 1.00 28.54 ? 146 ARG D HD3 1 ATOM 12670 H HE . ARG D 1 146 ? 51.848 10.853 19.827 1.00 34.53 ? 146 ARG D HE 1 ATOM 12671 H HH11 . ARG D 1 146 ? 55.102 10.481 18.847 1.00 36.20 ? 146 ARG D HH11 1 ATOM 12672 H HH12 . ARG D 1 146 ? 55.578 9.886 20.127 1.00 36.20 ? 146 ARG D HH12 1 ATOM 12673 H HH21 . ARG D 1 146 ? 52.658 9.921 21.687 1.00 44.93 ? 146 ARG D HH21 1 ATOM 12674 H HH22 . ARG D 1 146 ? 54.089 9.545 21.857 1.00 44.93 ? 146 ARG D HH22 1 ATOM 12675 N N . SER D 1 147 ? 49.412 10.789 14.484 1.00 11.79 ? 147 SER D N 1 ATOM 12676 C CA . SER D 1 147 ? 47.988 10.853 14.748 1.00 11.17 ? 147 SER D CA 1 ATOM 12677 C C . SER D 1 147 ? 47.172 9.847 13.944 1.00 9.99 ? 147 SER D C 1 ATOM 12678 O O . SER D 1 147 ? 45.955 9.751 14.141 1.00 12.07 ? 147 SER D O 1 ATOM 12679 C CB . SER D 1 147 ? 47.456 12.282 14.510 1.00 14.36 ? 147 SER D CB 1 ATOM 12680 O OG . SER D 1 147 ? 47.442 12.648 13.133 1.00 15.73 ? 147 SER D OG 1 ATOM 12681 H H . SER D 1 147 ? 49.713 11.445 14.015 1.00 14.14 ? 147 SER D H 1 ATOM 12682 H HA . SER D 1 147 ? 47.846 10.646 15.695 1.00 13.39 ? 147 SER D HA 1 ATOM 12683 H HB2 . SER D 1 147 ? 46.550 12.335 14.853 1.00 17.22 ? 147 SER D HB2 1 ATOM 12684 H HB3 . SER D 1 147 ? 48.023 12.906 14.989 1.00 17.22 ? 147 SER D HB3 1 ATOM 12685 H HG . SER D 1 147 ? 47.724 12.029 12.675 1.00 18.86 ? 147 SER D HG 1 ATOM 12686 N N . GLN D 1 148 ? 47.846 9.098 13.048 1.00 9.75 ? 148 GLN D N 1 ATOM 12687 C CA . GLN D 1 148 ? 47.187 8.044 12.273 1.00 8.31 ? 148 GLN D CA 1 ATOM 12688 C C . GLN D 1 148 ? 47.775 6.671 12.589 1.00 9.91 ? 148 GLN D C 1 ATOM 12689 O O . GLN D 1 148 ? 47.388 5.684 11.947 1.00 9.16 ? 148 GLN D O 1 ATOM 12690 C CB . GLN D 1 148 ? 47.366 8.283 10.769 1.00 8.67 ? 148 GLN D CB 1 ATOM 12691 C CG . GLN D 1 148 ? 46.752 9.610 10.317 1.00 9.53 ? 148 GLN D CG 1 ATOM 12692 C CD . GLN D 1 148 ? 46.883 9.842 8.825 1.00 9.38 ? 148 GLN D CD 1 ATOM 12693 O OE1 . GLN D 1 148 ? 47.989 9.889 8.298 1.00 11.04 ? 148 GLN D OE1 1 ATOM 12694 N NE2 . GLN D 1 148 ? 45.753 9.933 8.130 1.00 13.52 ? 148 GLN D NE2 1 ATOM 12695 H H . GLN D 1 148 ? 48.684 9.185 12.877 1.00 11.69 ? 148 GLN D H 1 ATOM 12696 H HA . GLN D 1 148 ? 46.229 8.031 12.479 1.00 9.97 ? 148 GLN D HA 1 ATOM 12697 H HB2 . GLN D 1 148 ? 48.313 8.302 10.560 1.00 10.40 ? 148 GLN D HB2 1 ATOM 12698 H HB3 . GLN D 1 148 ? 46.931 7.567 10.280 1.00 10.40 ? 148 GLN D HB3 1 ATOM 12699 H HG2 . GLN D 1 148 ? 45.808 9.613 10.538 1.00 11.43 ? 148 GLN D HG2 1 ATOM 12700 H HG3 . GLN D 1 148 ? 47.202 10.338 10.773 1.00 11.43 ? 148 GLN D HG3 1 ATOM 12701 H HE21 . GLN D 1 148 ? 45.781 10.064 7.281 1.00 16.22 ? 148 GLN D HE21 1 ATOM 12702 H HE22 . GLN D 1 148 ? 44.996 9.861 8.531 1.00 16.22 ? 148 GLN D HE22 1 ATOM 12703 N N . SER D 1 149 ? 48.690 6.598 13.539 1.00 8.17 ? 149 SER D N 1 ATOM 12704 C CA . SER D 1 149 ? 49.365 5.340 13.877 1.00 8.09 ? 149 SER D CA 1 ATOM 12705 C C . SER D 1 149 ? 48.379 4.367 14.496 1.00 8.49 ? 149 SER D C 1 ATOM 12706 O O . SER D 1 149 ? 47.442 4.756 15.176 1.00 9.16 ? 149 SER D O 1 ATOM 12707 C CB . SER D 1 149 ? 50.558 5.580 14.822 1.00 9.96 ? 149 SER D CB 1 ATOM 12708 O OG . SER D 1 149 ? 50.201 6.149 16.059 1.00 10.40 ? 149 SER D OG 1 ATOM 12709 H H . SER D 1 149 ? 48.948 7.268 14.013 1.00 9.79 ? 149 SER D H 1 ATOM 12710 H HA . SER D 1 149 ? 49.711 4.935 13.055 1.00 9.69 ? 149 SER D HA 1 ATOM 12711 H HB2 . SER D 1 149 ? 50.990 4.728 14.991 1.00 11.94 ? 149 SER D HB2 1 ATOM 12712 H HB3 . SER D 1 149 ? 51.182 6.176 14.380 1.00 11.94 ? 149 SER D HB3 1 ATOM 12713 H HG . SER D 1 149 ? 49.390 6.269 16.089 1.00 12.47 ? 149 SER D HG 1 ATOM 12714 N N . PHE D 1 150 ? 48.639 3.084 14.284 1.00 7.90 ? 150 PHE D N 1 ATOM 12715 C CA . PHE D 1 150 ? 47.838 2.048 14.892 1.00 7.54 ? 150 PHE D CA 1 ATOM 12716 C C . PHE D 1 150 ? 48.535 1.588 16.165 1.00 8.31 ? 150 PHE D C 1 ATOM 12717 O O . PHE D 1 150 ? 49.697 1.189 16.141 1.00 9.67 ? 150 PHE D O 1 ATOM 12718 C CB . PHE D 1 150 ? 47.686 0.843 13.948 1.00 7.78 ? 150 PHE D CB 1 ATOM 12719 C CG . PHE D 1 150 ? 46.951 -0.312 14.561 1.00 6.62 ? 150 PHE D CG 1 ATOM 12720 C CD1 . PHE D 1 150 ? 45.577 -0.306 14.669 1.00 9.01 ? 150 PHE D CD1 1 ATOM 12721 C CD2 . PHE D 1 150 ? 47.673 -1.366 15.097 1.00 7.61 ? 150 PHE D CD2 1 ATOM 12722 C CE1 . PHE D 1 150 ? 44.905 -1.394 15.263 1.00 7.27 ? 150 PHE D CE1 1 ATOM 12723 C CE2 . PHE D 1 150 ? 47.001 -2.442 15.695 1.00 8.25 ? 150 PHE D CE2 1 ATOM 12724 C CZ . PHE D 1 150 ? 45.623 -2.438 15.755 1.00 8.31 ? 150 PHE D CZ 1 ATOM 12725 H H . PHE D 1 150 ? 49.278 2.791 13.789 1.00 9.47 ? 150 PHE D H 1 ATOM 12726 H HA . PHE D 1 150 ? 46.950 2.396 15.118 1.00 9.04 ? 150 PHE D HA 1 ATOM 12727 H HB2 . PHE D 1 150 ? 47.194 1.123 13.159 1.00 9.32 ? 150 PHE D HB2 1 ATOM 12728 H HB3 . PHE D 1 150 ? 48.568 0.532 13.692 1.00 9.32 ? 150 PHE D HB3 1 ATOM 12729 H HD1 . PHE D 1 150 ? 45.089 0.403 14.316 1.00 10.80 ? 150 PHE D HD1 1 ATOM 12730 H HD2 . PHE D 1 150 ? 48.602 -1.371 15.041 1.00 9.11 ? 150 PHE D HD2 1 ATOM 12731 H HE1 . PHE D 1 150 ? 43.976 -1.398 15.315 1.00 8.71 ? 150 PHE D HE1 1 ATOM 12732 H HE2 . PHE D 1 150 ? 47.481 -3.162 16.035 1.00 9.89 ? 150 PHE D HE2 1 ATOM 12733 H HZ . PHE D 1 150 ? 45.180 -3.150 16.158 1.00 9.96 ? 150 PHE D HZ 1 ATOM 12734 N N . VAL D 1 151 ? 47.796 1.574 17.269 1.00 7.44 ? 151 VAL D N 1 ATOM 12735 C CA . VAL D 1 151 ? 48.266 1.092 18.576 1.00 7.08 ? 151 VAL D CA 1 ATOM 12736 C C . VAL D 1 151 ? 47.355 -0.055 18.960 1.00 7.84 ? 151 VAL D C 1 ATOM 12737 O O . VAL D 1 151 ? 46.145 0.091 18.939 1.00 8.58 ? 151 VAL D O 1 ATOM 12738 C CB . VAL D 1 151 ? 48.224 2.171 19.661 1.00 7.21 ? 151 VAL D CB 1 ATOM 12739 C CG1 . VAL D 1 151 ? 48.829 1.647 20.958 1.00 8.05 ? 151 VAL D CG1 1 ATOM 12740 C CG2 . VAL D 1 151 ? 48.993 3.415 19.183 1.00 10.21 ? 151 VAL D CG2 1 ATOM 12741 H H . VAL D 1 151 ? 46.981 1.850 17.291 1.00 8.92 ? 151 VAL D H 1 ATOM 12742 H HA . VAL D 1 151 ? 49.184 0.756 18.497 1.00 8.49 ? 151 VAL D HA 1 ATOM 12743 H HB . VAL D 1 151 ? 47.293 2.427 19.832 1.00 8.64 ? 151 VAL D HB 1 ATOM 12744 H HG11 . VAL D 1 151 ? 48.791 2.339 21.622 1.00 9.64 ? 151 VAL D HG11 1 ATOM 12745 H HG12 . VAL D 1 151 ? 48.325 0.883 21.251 1.00 9.64 ? 151 VAL D HG12 1 ATOM 12746 H HG13 . VAL D 1 151 ? 49.741 1.395 20.797 1.00 9.64 ? 151 VAL D HG13 1 ATOM 12747 H HG21 . VAL D 1 151 ? 48.961 4.086 19.870 1.00 12.25 ? 151 VAL D HG21 1 ATOM 12748 H HG22 . VAL D 1 151 ? 49.905 3.170 19.007 1.00 12.25 ? 151 VAL D HG22 1 ATOM 12749 H HG23 . VAL D 1 151 ? 48.583 3.747 18.381 1.00 12.25 ? 151 VAL D HG23 1 ATOM 12750 N N . GLY D 1 152 ? 47.926 -1.221 19.197 1.00 7.31 ? 152 GLY D N 1 ATOM 12751 C CA . GLY D 1 152 ? 47.132 -2.401 19.492 1.00 7.44 ? 152 GLY D CA 1 ATOM 12752 C C . GLY D 1 152 ? 47.712 -3.629 18.814 1.00 7.30 ? 152 GLY D C 1 ATOM 12753 O O . GLY D 1 152 ? 48.902 -3.711 18.564 1.00 7.77 ? 152 GLY D O 1 ATOM 12754 H H . GLY D 1 152 ? 48.775 -1.358 19.193 1.00 8.76 ? 152 GLY D H 1 ATOM 12755 H HA2 . GLY D 1 152 ? 47.113 -2.553 20.450 1.00 8.92 ? 152 GLY D HA2 1 ATOM 12756 H HA3 . GLY D 1 152 ? 46.223 -2.272 19.178 1.00 8.92 ? 152 GLY D HA3 1 ATOM 12757 N N . GLU D 1 153 ? 46.847 -4.586 18.526 1.00 5.85 ? 153 GLU D N 1 ATOM 12758 C CA . GLU D 1 153 ? 47.273 -5.900 18.070 1.00 6.50 ? 153 GLU D CA 1 ATOM 12759 C C . GLU D 1 153 ? 46.613 -6.261 16.750 1.00 6.54 ? 153 GLU D C 1 ATOM 12760 O O . GLU D 1 153 ? 45.454 -5.995 16.538 1.00 7.35 ? 153 GLU D O 1 ATOM 12761 C CB . GLU D 1 153 ? 46.940 -6.959 19.121 1.00 6.95 ? 153 GLU D CB 1 ATOM 12762 C CG . GLU D 1 153 ? 47.419 -6.540 20.510 1.00 6.74 ? 153 GLU D CG 1 ATOM 12763 C CD . GLU D 1 153 ? 47.162 -7.589 21.584 1.00 8.27 ? 153 GLU D CD 1 ATOM 12764 O OE1 . GLU D 1 153 ? 47.307 -8.797 21.279 1.00 9.74 ? 153 GLU D OE1 1 ATOM 12765 O OE2 . GLU D 1 153 ? 46.809 -7.197 22.732 1.00 10.13 ? 153 GLU D OE2 1 ATOM 12766 H H . GLU D 1 153 ? 45.993 -4.499 18.587 1.00 7.01 ? 153 GLU D H 1 ATOM 12767 H HA . GLU D 1 153 ? 48.244 -5.896 17.937 1.00 7.79 ? 153 GLU D HA 1 ATOM 12768 H HB2 . GLU D 1 153 ? 45.979 -7.084 19.156 1.00 8.32 ? 153 GLU D HB2 1 ATOM 12769 H HB3 . GLU D 1 153 ? 47.379 -7.792 18.887 1.00 8.32 ? 153 GLU D HB3 1 ATOM 12770 H HG2 . GLU D 1 153 ? 48.374 -6.377 20.476 1.00 8.08 ? 153 GLU D HG2 1 ATOM 12771 H HG3 . GLU D 1 153 ? 46.955 -5.729 20.769 1.00 8.08 ? 153 GLU D HG3 1 ATOM 12772 N N . ILE D 1 154 ? 47.395 -6.826 15.826 1.00 6.63 ? 154 ILE D N 1 ATOM 12773 C CA . ILE D 1 154 ? 46.880 -7.300 14.531 1.00 6.72 ? 154 ILE D CA 1 ATOM 12774 C C . ILE D 1 154 ? 47.361 -8.719 14.273 1.00 7.26 ? 154 ILE D C 1 ATOM 12775 O O . ILE D 1 154 ? 48.527 -9.036 14.520 1.00 10.22 ? 154 ILE D O 1 ATOM 12776 C CB . ILE D 1 154 ? 47.358 -6.443 13.352 1.00 9.86 ? 154 ILE D CB 1 ATOM 12777 C CG1 . ILE D 1 154 ? 46.704 -5.084 13.387 1.00 11.16 ? 154 ILE D CG1 1 ATOM 12778 C CG2 . ILE D 1 154 ? 47.048 -7.111 11.971 1.00 11.39 ? 154 ILE D CG2 1 ATOM 12779 C CD1 . ILE D 1 154 ? 47.361 -4.051 12.438 1.00 13.00 ? 154 ILE D CD1 1 ATOM 12780 H H . ILE D 1 154 ? 48.241 -6.948 15.924 1.00 7.94 ? 154 ILE D H 1 ATOM 12781 H HA . ILE D 1 154 ? 45.901 -7.297 14.544 1.00 8.05 ? 154 ILE D HA 1 ATOM 12782 H HB . ILE D 1 154 ? 48.318 -6.324 13.428 1.00 11.82 ? 154 ILE D HB 1 ATOM 12783 H HG12 . ILE D 1 154 ? 45.775 -5.177 13.127 1.00 13.38 ? 154 ILE D HG12 1 ATOM 12784 H HG13 . ILE D 1 154 ? 46.759 -4.734 14.290 1.00 13.38 ? 154 ILE D HG13 1 ATOM 12785 H HG21 . ILE D 1 154 ? 47.365 -6.538 11.269 1.00 13.66 ? 154 ILE D HG21 1 ATOM 12786 H HG22 . ILE D 1 154 ? 47.494 -7.960 11.928 1.00 13.66 ? 154 ILE D HG22 1 ATOM 12787 H HG23 . ILE D 1 154 ? 46.099 -7.235 11.890 1.00 13.66 ? 154 ILE D HG23 1 ATOM 12788 H HD11 . ILE D 1 154 ? 46.894 -3.216 12.514 1.00 15.58 ? 154 ILE D HD11 1 ATOM 12789 H HD12 . ILE D 1 154 ? 48.281 -3.937 12.689 1.00 15.58 ? 154 ILE D HD12 1 ATOM 12790 H HD13 . ILE D 1 154 ? 47.306 -4.376 11.536 1.00 15.58 ? 154 ILE D HD13 1 ATOM 12791 N N . GLY D 1 155 ? 46.441 -9.571 13.848 1.00 7.42 ? 155 GLY D N 1 ATOM 12792 C CA . GLY D 1 155 ? 46.803 -10.942 13.469 1.00 9.16 ? 155 GLY D CA 1 ATOM 12793 C C . GLY D 1 155 ? 45.966 -11.497 12.355 1.00 7.94 ? 155 GLY D C 1 ATOM 12794 O O . GLY D 1 155 ? 45.089 -10.851 11.812 1.00 8.39 ? 155 GLY D O 1 ATOM 12795 H H . GLY D 1 155 ? 45.604 -9.389 13.768 1.00 8.89 ? 155 GLY D H 1 ATOM 12796 H HA2 . GLY D 1 155 ? 47.732 -10.961 13.189 1.00 10.99 ? 155 GLY D HA2 1 ATOM 12797 H HA3 . GLY D 1 155 ? 46.706 -11.523 14.240 1.00 10.99 ? 155 GLY D HA3 1 ATOM 12798 N N . ASP D 1 156 ? 46.276 -12.749 11.980 1.00 8.59 ? 156 ASP D N 1 ATOM 12799 C CA . ASP D 1 156 ? 45.483 -13.509 11.024 1.00 9.07 ? 156 ASP D CA 1 ATOM 12800 C C . ASP D 1 156 ? 45.259 -12.729 9.723 1.00 7.53 ? 156 ASP D C 1 ATOM 12801 O O . ASP D 1 156 ? 44.130 -12.632 9.231 1.00 8.57 ? 156 ASP D O 1 ATOM 12802 C CB . ASP D 1 156 ? 44.152 -13.941 11.656 1.00 8.14 ? 156 ASP D CB 1 ATOM 12803 C CG . ASP D 1 156 ? 44.309 -15.051 12.648 1.00 15.89 ? 156 ASP D CG 1 ATOM 12804 O OD1 . ASP D 1 156 ? 45.355 -15.741 12.673 1.00 16.72 ? 156 ASP D OD1 1 ATOM 12805 O OD2 . ASP D 1 156 ? 43.349 -15.276 13.422 1.00 16.22 ? 156 ASP D OD2 1 ATOM 12806 H H . ASP D 1 156 ? 46.958 -13.181 12.277 1.00 10.29 ? 156 ASP D H 1 ATOM 12807 H HA . ASP D 1 156 ? 45.975 -14.324 10.793 1.00 10.88 ? 156 ASP D HA 1 ATOM 12808 H HB2 . ASP D 1 156 ? 43.760 -13.182 12.116 1.00 9.76 ? 156 ASP D HB2 1 ATOM 12809 H HB3 . ASP D 1 156 ? 43.555 -14.248 10.956 1.00 9.76 ? 156 ASP D HB3 1 ATOM 12810 N N . LEU D 1 157 ? 46.331 -12.159 9.177 1.00 6.95 ? 157 LEU D N 1 ATOM 12811 C CA . LEU D 1 157 ? 46.191 -11.344 7.985 1.00 7.21 ? 157 LEU D CA 1 ATOM 12812 C C . LEU D 1 157 ? 46.417 -12.167 6.731 1.00 6.97 ? 157 LEU D C 1 ATOM 12813 O O . LEU D 1 157 ? 47.446 -12.856 6.598 1.00 8.67 ? 157 LEU D O 1 ATOM 12814 C CB . LEU D 1 157 ? 47.120 -10.118 8.039 1.00 8.57 ? 157 LEU D CB 1 ATOM 12815 C CG . LEU D 1 157 ? 46.938 -9.106 6.924 1.00 10.03 ? 157 LEU D CG 1 ATOM 12816 C CD1 . LEU D 1 157 ? 47.291 -7.709 7.430 1.00 10.04 ? 157 LEU D CD1 1 ATOM 12817 C CD2 . LEU D 1 157 ? 47.792 -9.431 5.683 1.00 9.69 ? 157 LEU D CD2 1 ATOM 12818 H H . LEU D 1 157 ? 47.134 -12.230 9.475 1.00 8.33 ? 157 LEU D H 1 ATOM 12819 H HA . LEU D 1 157 ? 45.270 -11.009 7.950 1.00 8.64 ? 157 LEU D HA 1 ATOM 12820 H HB2 . LEU D 1 157 ? 46.968 -9.655 8.878 1.00 10.27 ? 157 LEU D HB2 1 ATOM 12821 H HB3 . LEU D 1 157 ? 48.039 -10.427 8.002 1.00 10.27 ? 157 LEU D HB3 1 ATOM 12822 H HG . LEU D 1 157 ? 46.006 -9.100 6.653 1.00 12.02 ? 157 LEU D HG 1 ATOM 12823 H HD11 . LEU D 1 157 ? 47.172 -7.079 6.716 1.00 12.04 ? 157 LEU D HD11 1 ATOM 12824 H HD12 . LEU D 1 157 ? 46.712 -7.488 8.163 1.00 12.04 ? 157 LEU D HD12 1 ATOM 12825 H HD13 . LEU D 1 157 ? 48.206 -7.705 7.722 1.00 12.04 ? 157 LEU D HD13 1 ATOM 12826 H HD21 . LEU D 1 157 ? 47.637 -8.761 5.013 1.00 11.61 ? 157 LEU D HD21 1 ATOM 12827 H HD22 . LEU D 1 157 ? 48.718 -9.435 5.934 1.00 11.61 ? 157 LEU D HD22 1 ATOM 12828 H HD23 . LEU D 1 157 ? 47.539 -10.294 5.347 1.00 11.61 ? 157 LEU D HD23 1 ATOM 12829 N N . TYR D 1 158 ? 45.476 -12.082 5.823 1.00 8.23 ? 158 TYR D N 1 ATOM 12830 C CA . TYR D 1 158 ? 45.538 -12.768 4.534 1.00 6.63 ? 158 TYR D CA 1 ATOM 12831 C C . TYR D 1 158 ? 45.061 -11.846 3.414 1.00 7.90 ? 158 TYR D C 1 ATOM 12832 O O . TYR D 1 158 ? 44.104 -11.071 3.609 1.00 8.93 ? 158 TYR D O 1 ATOM 12833 C CB . TYR D 1 158 ? 44.609 -13.987 4.587 1.00 8.93 ? 158 TYR D CB 1 ATOM 12834 C CG . TYR D 1 158 ? 45.012 -15.002 5.641 1.00 8.79 ? 158 TYR D CG 1 ATOM 12835 C CD1 . TYR D 1 158 ? 44.520 -14.932 6.920 1.00 9.50 ? 158 TYR D CD1 1 ATOM 12836 C CD2 . TYR D 1 158 ? 45.895 -16.049 5.333 1.00 9.76 ? 158 TYR D CD2 1 ATOM 12837 C CE1 . TYR D 1 158 ? 44.908 -15.841 7.883 1.00 11.24 ? 158 TYR D CE1 1 ATOM 12838 C CE2 . TYR D 1 158 ? 46.258 -16.940 6.270 1.00 10.53 ? 158 TYR D CE2 1 ATOM 12839 C CZ . TYR D 1 158 ? 45.781 -16.854 7.530 1.00 12.32 ? 158 TYR D CZ 1 ATOM 12840 O OH . TYR D 1 158 ? 46.188 -17.785 8.452 1.00 14.36 ? 158 TYR D OH 1 ATOM 12841 H H . TYR D 1 158 ? 44.760 -11.618 5.924 1.00 9.86 ? 158 TYR D H 1 ATOM 12842 H HA . TYR D 1 158 ? 46.453 -13.063 4.346 1.00 7.94 ? 158 TYR D HA 1 ATOM 12843 H HB2 . TYR D 1 158 ? 43.708 -13.688 4.790 1.00 10.71 ? 158 TYR D HB2 1 ATOM 12844 H HB3 . TYR D 1 158 ? 44.623 -14.431 3.725 1.00 10.71 ? 158 TYR D HB3 1 ATOM 12845 H HD1 . TYR D 1 158 ? 43.941 -14.241 7.150 1.00 11.39 ? 158 TYR D HD1 1 ATOM 12846 H HD2 . TYR D 1 158 ? 46.240 -16.122 4.473 1.00 11.70 ? 158 TYR D HD2 1 ATOM 12847 H HE1 . TYR D 1 158 ? 44.575 -15.785 8.749 1.00 13.48 ? 158 TYR D HE1 1 ATOM 12848 H HE2 . TYR D 1 158 ? 46.849 -17.622 6.049 1.00 12.63 ? 158 TYR D HE2 1 ATOM 12849 H HH . TYR D 1 158 ? 45.538 -18.191 8.746 1.00 17.22 ? 158 TYR D HH 1 ATOM 12850 N N . MET D 1 159 ? 45.642 -11.970 2.213 1.00 8.30 ? 159 MET D N 1 ATOM 12851 C CA . MET D 1 159 ? 45.217 -11.223 1.062 1.00 8.59 ? 159 MET D CA 1 ATOM 12852 C C . MET D 1 159 ? 45.250 -12.104 -0.179 1.00 9.56 ? 159 MET D C 1 ATOM 12853 O O . MET D 1 159 ? 46.245 -12.800 -0.426 1.00 9.20 ? 159 MET D O 1 ATOM 12854 C CB . MET D 1 159 ? 46.083 -9.962 0.849 1.00 9.55 ? 159 MET D CB 1 ATOM 12855 C CG . MET D 1 159 ? 45.552 -8.975 -0.147 1.00 7.50 ? 159 MET D CG 1 ATOM 12856 S SD . MET D 1 159 ? 46.632 -7.543 -0.225 1.00 12.27 ? 159 MET D SD 1 ATOM 12857 C CE . MET D 1 159 ? 45.848 -6.584 -1.548 1.00 13.77 ? 159 MET D CE 1 ATOM 12858 H H . MET D 1 159 ? 46.301 -12.499 2.054 1.00 9.94 ? 159 MET D H 1 ATOM 12859 H HA . MET D 1 159 ? 44.295 -10.925 1.208 1.00 10.30 ? 159 MET D HA 1 ATOM 12860 H HB2 . MET D 1 159 ? 46.167 -9.502 1.699 1.00 11.45 ? 159 MET D HB2 1 ATOM 12861 H HB3 . MET D 1 159 ? 46.960 -10.241 0.544 1.00 11.45 ? 159 MET D HB3 1 ATOM 12862 H HG2 . MET D 1 159 ? 45.519 -9.385 -1.025 1.00 8.99 ? 159 MET D HG2 1 ATOM 12863 H HG3 . MET D 1 159 ? 44.669 -8.680 0.125 1.00 8.99 ? 159 MET D HG3 1 ATOM 12864 H HE1 . MET D 1 159 ? 46.348 -5.776 -1.685 1.00 16.51 ? 159 MET D HE1 1 ATOM 12865 H HE2 . MET D 1 159 ? 45.844 -7.108 -2.353 1.00 16.51 ? 159 MET D HE2 1 ATOM 12866 H HE3 . MET D 1 159 ? 44.948 -6.374 -1.289 1.00 16.51 ? 159 MET D HE3 1 ATOM 12867 N N . TRP D 1 160 ? 44.143 -12.053 -0.890 1.00 8.28 ? 160 TRP D N 1 ATOM 12868 C CA . TRP D 1 160 ? 43.871 -12.848 -2.096 1.00 8.76 ? 160 TRP D CA 1 ATOM 12869 C C . TRP D 1 160 ? 43.725 -11.926 -3.298 1.00 10.52 ? 160 TRP D C 1 ATOM 12870 O O . TRP D 1 160 ? 43.206 -10.802 -3.162 1.00 9.90 ? 160 TRP D O 1 ATOM 12871 C CB . TRP D 1 160 ? 42.564 -13.625 -1.978 1.00 10.01 ? 160 TRP D CB 1 ATOM 12872 C CG . TRP D 1 160 ? 42.469 -14.648 -0.906 1.00 9.92 ? 160 TRP D CG 1 ATOM 12873 C CD1 . TRP D 1 160 ? 42.660 -15.996 -1.071 1.00 11.27 ? 160 TRP D CD1 1 ATOM 12874 C CD2 . TRP D 1 160 ? 42.177 -14.461 0.490 1.00 9.39 ? 160 TRP D CD2 1 ATOM 12875 N NE1 . TRP D 1 160 ? 42.471 -16.644 0.113 1.00 11.89 ? 160 TRP D NE1 1 ATOM 12876 C CE2 . TRP D 1 160 ? 42.135 -15.744 1.092 1.00 12.13 ? 160 TRP D CE2 1 ATOM 12877 C CE3 . TRP D 1 160 ? 41.852 -13.347 1.270 1.00 10.98 ? 160 TRP D CE3 1 ATOM 12878 C CZ2 . TRP D 1 160 ? 41.870 -15.925 2.462 1.00 12.60 ? 160 TRP D CZ2 1 ATOM 12879 C CZ3 . TRP D 1 160 ? 41.589 -13.522 2.610 1.00 11.17 ? 160 TRP D CZ3 1 ATOM 12880 C CH2 . TRP D 1 160 ? 41.581 -14.810 3.200 1.00 10.71 ? 160 TRP D CH2 1 ATOM 12881 H H . TRP D 1 160 ? 43.488 -11.535 -0.687 1.00 9.93 ? 160 TRP D H 1 ATOM 12882 H HA . TRP D 1 160 ? 44.605 -13.476 -2.259 1.00 10.50 ? 160 TRP D HA 1 ATOM 12883 H HB2 . TRP D 1 160 ? 41.849 -12.988 -1.825 1.00 12.00 ? 160 TRP D HB2 1 ATOM 12884 H HB3 . TRP D 1 160 ? 42.410 -14.081 -2.820 1.00 12.00 ? 160 TRP D HB3 1 ATOM 12885 H HD1 . TRP D 1 160 ? 42.871 -16.410 -1.877 1.00 13.52 ? 160 TRP D HD1 1 ATOM 12886 H HE1 . TRP D 1 160 ? 42.534 -17.494 0.226 1.00 14.25 ? 160 TRP D HE1 1 ATOM 12887 H HE3 . TRP D 1 160 ? 41.839 -12.496 0.894 1.00 13.17 ? 160 TRP D HE3 1 ATOM 12888 H HZ2 . TRP D 1 160 ? 41.885 -16.771 2.849 1.00 15.11 ? 160 TRP D HZ2 1 ATOM 12889 H HZ3 . TRP D 1 160 ? 41.385 -12.781 3.133 1.00 13.39 ? 160 TRP D HZ3 1 ATOM 12890 H HH2 . TRP D 1 160 ? 41.405 -14.896 4.109 1.00 12.85 ? 160 TRP D HH2 1 ATOM 12891 N N . ASP D 1 161 ? 44.134 -12.369 -4.488 1.00 11.72 ? 161 ASP D N 1 ATOM 12892 C CA . ASP D 1 161 ? 43.880 -11.603 -5.710 1.00 10.66 ? 161 ASP D CA 1 ATOM 12893 C C . ASP D 1 161 ? 42.529 -11.886 -6.367 1.00 12.33 ? 161 ASP D C 1 ATOM 12894 O O . ASP D 1 161 ? 42.353 -11.769 -7.602 1.00 13.85 ? 161 ASP D O 1 ATOM 12895 C CB . ASP D 1 161 ? 45.045 -11.796 -6.699 1.00 13.40 ? 161 ASP D CB 1 ATOM 12896 C CG . ASP D 1 161 ? 45.014 -13.136 -7.400 1.00 17.73 ? 161 ASP D CG 1 ATOM 12897 O OD1 . ASP D 1 161 ? 44.299 -14.059 -6.978 1.00 13.59 ? 161 ASP D OD1 1 ATOM 12898 O OD2 . ASP D 1 161 ? 45.756 -13.226 -8.408 1.00 20.99 ? 161 ASP D OD2 1 ATOM 12899 H H . ASP D 1 161 ? 44.558 -13.106 -4.615 1.00 14.05 ? 161 ASP D H 1 ATOM 12900 H HA . ASP D 1 161 ? 43.876 -10.653 -5.466 1.00 12.78 ? 161 ASP D HA 1 ATOM 12901 H HB2 . ASP D 1 161 ? 45.000 -11.103 -7.377 1.00 16.07 ? 161 ASP D HB2 1 ATOM 12902 H HB3 . ASP D 1 161 ? 45.883 -11.731 -6.215 1.00 16.07 ? 161 ASP D HB3 1 ATOM 12903 N N . SER D 1 162 ? 41.518 -12.196 -5.547 1.00 11.28 ? 162 SER D N 1 ATOM 12904 C CA . SER D 1 162 ? 40.182 -12.455 -6.038 1.00 11.65 ? 162 SER D CA 1 ATOM 12905 C C . SER D 1 162 ? 39.191 -11.954 -4.998 1.00 11.36 ? 162 SER D C 1 ATOM 12906 O O . SER D 1 162 ? 39.593 -11.671 -3.875 1.00 10.68 ? 162 SER D O 1 ATOM 12907 C CB . SER D 1 162 ? 39.962 -13.953 -6.281 1.00 13.84 ? 162 SER D CB 1 ATOM 12908 O OG . SER D 1 162 ? 40.092 -14.714 -5.099 1.00 16.46 ? 162 SER D OG 1 ATOM 12909 H H . SER D 1 162 ? 41.593 -12.261 -4.693 1.00 13.52 ? 162 SER D H 1 ATOM 12910 H HA . SER D 1 162 ? 40.034 -11.971 -6.878 1.00 13.97 ? 162 SER D HA 1 ATOM 12911 H HB2 . SER D 1 162 ? 39.069 -14.083 -6.637 1.00 16.60 ? 162 SER D HB2 1 ATOM 12912 H HB3 . SER D 1 162 ? 40.618 -14.264 -6.924 1.00 16.60 ? 162 SER D HB3 1 ATOM 12913 H HG . SER D 1 162 ? 39.969 -15.508 -5.262 1.00 19.74 ? 162 SER D HG 1 ATOM 12914 N N . VAL D 1 163 ? 37.935 -11.869 -5.372 1.00 11.82 ? 163 VAL D N 1 ATOM 12915 C CA . VAL D 1 163 ? 36.868 -11.485 -4.452 1.00 9.61 ? 163 VAL D CA 1 ATOM 12916 C C . VAL D 1 163 ? 36.270 -12.732 -3.798 1.00 12.21 ? 163 VAL D C 1 ATOM 12917 O O . VAL D 1 163 ? 35.685 -13.581 -4.475 1.00 14.08 ? 163 VAL D O 1 ATOM 12918 C CB . VAL D 1 163 ? 35.732 -10.755 -5.190 1.00 10.87 ? 163 VAL D CB 1 ATOM 12919 C CG1 . VAL D 1 163 ? 34.564 -10.467 -4.241 1.00 12.61 ? 163 VAL D CG1 1 ATOM 12920 C CG2 . VAL D 1 163 ? 36.270 -9.468 -5.846 1.00 13.76 ? 163 VAL D CG2 1 ATOM 12921 H H . VAL D 1 163 ? 37.660 -12.031 -6.170 1.00 14.18 ? 163 VAL D H 1 ATOM 12922 H HA . VAL D 1 163 ? 37.223 -10.897 -3.753 1.00 11.52 ? 163 VAL D HA 1 ATOM 12923 H HB . VAL D 1 163 ? 35.398 -11.337 -5.905 1.00 13.03 ? 163 VAL D HB 1 ATOM 12924 H HG11 . VAL D 1 163 ? 33.871 -10.013 -4.726 1.00 15.12 ? 163 VAL D HG11 1 ATOM 12925 H HG12 . VAL D 1 163 ? 34.230 -11.298 -3.895 1.00 15.12 ? 163 VAL D HG12 1 ATOM 12926 H HG13 . VAL D 1 163 ? 34.876 -9.914 -3.521 1.00 15.12 ? 163 VAL D HG13 1 ATOM 12927 H HG21 . VAL D 1 163 ? 35.550 -9.026 -6.302 1.00 16.50 ? 163 VAL D HG21 1 ATOM 12928 H HG22 . VAL D 1 163 ? 36.627 -8.896 -5.163 1.00 16.50 ? 163 VAL D HG22 1 ATOM 12929 H HG23 . VAL D 1 163 ? 36.959 -9.702 -6.472 1.00 16.50 ? 163 VAL D HG23 1 ATOM 12930 N N . LEU D 1 164 ? 36.425 -12.884 -2.488 1.00 10.63 ? 164 LEU D N 1 ATOM 12931 C CA . LEU D 1 164 ? 35.926 -14.068 -1.821 1.00 12.00 ? 164 LEU D CA 1 ATOM 12932 C C . LEU D 1 164 ? 34.427 -14.031 -1.740 1.00 9.70 ? 164 LEU D C 1 ATOM 12933 O O . LEU D 1 164 ? 33.822 -13.015 -1.391 1.00 11.43 ? 164 LEU D O 1 ATOM 12934 C CB . LEU D 1 164 ? 36.513 -14.189 -0.428 1.00 11.50 ? 164 LEU D CB 1 ATOM 12935 C CG . LEU D 1 164 ? 38.015 -14.380 -0.243 1.00 14.83 ? 164 LEU D CG 1 ATOM 12936 C CD1 . LEU D 1 164 ? 38.362 -14.615 1.230 1.00 13.19 ? 164 LEU D CD1 1 ATOM 12937 C CD2 . LEU D 1 164 ? 38.546 -15.520 -1.095 1.00 16.15 ? 164 LEU D CD2 1 ATOM 12938 H H . LEU D 1 164 ? 36.814 -12.318 -1.970 1.00 12.74 ? 164 LEU D H 1 ATOM 12939 H HA . LEU D 1 164 ? 36.187 -14.862 -2.333 1.00 14.39 ? 164 LEU D HA 1 ATOM 12940 H HB2 . LEU D 1 164 ? 36.277 -13.383 0.057 1.00 13.79 ? 164 LEU D HB2 1 ATOM 12941 H HB3 . LEU D 1 164 ? 36.085 -14.947 0.002 1.00 13.79 ? 164 LEU D HB3 1 ATOM 12942 H HG . LEU D 1 164 ? 38.467 -13.569 -0.525 1.00 17.78 ? 164 LEU D HG 1 ATOM 12943 H HD11 . LEU D 1 164 ? 39.311 -14.730 1.312 1.00 15.82 ? 164 LEU D HD11 1 ATOM 12944 H HD12 . LEU D 1 164 ? 38.079 -13.854 1.742 1.00 15.82 ? 164 LEU D HD12 1 ATOM 12945 H HD13 . LEU D 1 164 ? 37.908 -15.403 1.536 1.00 15.82 ? 164 LEU D HD13 1 ATOM 12946 H HD21 . LEU D 1 164 ? 39.491 -15.605 -0.949 1.00 19.37 ? 164 LEU D HD21 1 ATOM 12947 H HD22 . LEU D 1 164 ? 38.101 -16.332 -0.842 1.00 19.37 ? 164 LEU D HD22 1 ATOM 12948 H HD23 . LEU D 1 164 ? 38.374 -15.326 -2.019 1.00 19.37 ? 164 LEU D HD23 1 ATOM 12949 N N . PRO D 1 165 ? 33.780 -15.193 -1.959 1.00 12.18 ? 165 PRO D N 1 ATOM 12950 C CA . PRO D 1 165 ? 32.361 -15.344 -1.685 1.00 13.33 ? 165 PRO D CA 1 ATOM 12951 C C . PRO D 1 165 ? 32.122 -15.448 -0.178 1.00 11.07 ? 165 PRO D C 1 ATOM 12952 O O . PRO D 1 165 ? 33.069 -15.699 0.589 1.00 11.13 ? 165 PRO D O 1 ATOM 12953 C CB . PRO D 1 165 ? 32.025 -16.655 -2.412 1.00 13.69 ? 165 PRO D CB 1 ATOM 12954 C CG . PRO D 1 165 ? 33.253 -17.442 -2.270 1.00 14.90 ? 165 PRO D CG 1 ATOM 12955 C CD . PRO D 1 165 ? 34.394 -16.432 -2.438 1.00 14.41 ? 165 PRO D CD 1 ATOM 12956 H HA . PRO D 1 165 ? 31.845 -14.602 -2.064 1.00 15.98 ? 165 PRO D HA 1 ATOM 12957 H HB2 . PRO D 1 165 ? 31.277 -17.094 -1.977 1.00 16.42 ? 165 PRO D HB2 1 ATOM 12958 H HB3 . PRO D 1 165 ? 31.831 -16.477 -3.346 1.00 16.42 ? 165 PRO D HB3 1 ATOM 12959 H HG2 . PRO D 1 165 ? 33.282 -17.849 -1.390 1.00 17.87 ? 165 PRO D HG2 1 ATOM 12960 H HG3 . PRO D 1 165 ? 33.290 -18.119 -2.964 1.00 17.87 ? 165 PRO D HG3 1 ATOM 12961 H HD2 . PRO D 1 165 ? 35.151 -16.676 -1.882 1.00 17.28 ? 165 PRO D HD2 1 ATOM 12962 H HD3 . PRO D 1 165 ? 34.644 -16.351 -3.372 1.00 17.28 ? 165 PRO D HD3 1 ATOM 12963 N N . PRO D 1 166 ? 30.881 -15.249 0.252 1.00 11.29 ? 166 PRO D N 1 ATOM 12964 C CA . PRO D 1 166 ? 30.566 -15.236 1.683 1.00 12.09 ? 166 PRO D CA 1 ATOM 12965 C C . PRO D 1 166 ? 31.085 -16.441 2.459 1.00 9.06 ? 166 PRO D C 1 ATOM 12966 O O . PRO D 1 166 ? 31.561 -16.294 3.564 1.00 11.36 ? 166 PRO D O 1 ATOM 12967 C CB . PRO D 1 166 ? 29.026 -15.165 1.720 1.00 13.25 ? 166 PRO D CB 1 ATOM 12968 C CG . PRO D 1 166 ? 28.687 -14.465 0.444 1.00 13.06 ? 166 PRO D CG 1 ATOM 12969 C CD . PRO D 1 166 ? 29.700 -14.913 -0.572 1.00 12.40 ? 166 PRO D CD 1 ATOM 12970 H HA . PRO D 1 166 ? 30.927 -14.422 2.092 1.00 14.50 ? 166 PRO D HA 1 ATOM 12971 H HB2 . PRO D 1 166 ? 28.651 -16.059 1.737 1.00 15.89 ? 166 PRO D HB2 1 ATOM 12972 H HB3 . PRO D 1 166 ? 28.735 -14.649 2.488 1.00 15.89 ? 166 PRO D HB3 1 ATOM 12973 H HG2 . PRO D 1 166 ? 27.793 -14.717 0.165 1.00 15.66 ? 166 PRO D HG2 1 ATOM 12974 H HG3 . PRO D 1 166 ? 28.743 -13.506 0.577 1.00 15.66 ? 166 PRO D HG3 1 ATOM 12975 H HD2 . PRO D 1 166 ? 29.381 -15.699 -1.044 1.00 14.87 ? 166 PRO D HD2 1 ATOM 12976 H HD3 . PRO D 1 166 ? 29.908 -14.190 -1.184 1.00 14.87 ? 166 PRO D HD3 1 ATOM 12977 N N . GLU D 1 167 ? 30.971 -17.638 1.880 1.00 10.59 ? 167 GLU D N 1 ATOM 12978 C CA . GLU D 1 167 ? 31.397 -18.819 2.601 1.00 11.07 ? 167 GLU D CA 1 ATOM 12979 C C . GLU D 1 167 ? 32.904 -18.806 2.907 1.00 10.36 ? 167 GLU D C 1 ATOM 12980 O O . GLU D 1 167 ? 33.325 -19.250 3.967 1.00 12.43 ? 167 GLU D O 1 ATOM 12981 C CB . GLU D 1 167 ? 30.944 -20.088 1.851 1.00 15.61 ? 167 GLU D CB 1 ATOM 12982 C CG . GLU D 1 167 ? 31.504 -20.237 0.481 1.00 19.09 ? 167 GLU D CG 1 ATOM 12983 C CD . GLU D 1 167 ? 30.634 -19.647 -0.672 1.00 29.19 ? 167 GLU D CD 1 ATOM 12984 O OE1 . GLU D 1 167 ? 30.841 -20.168 -1.798 1.00 30.11 ? 167 GLU D OE1 1 ATOM 12985 O OE2 . GLU D 1 167 ? 29.782 -18.700 -0.500 1.00 19.22 ? 167 GLU D OE2 1 ATOM 12986 H H . GLU D 1 167 ? 30.659 -17.783 1.092 1.00 12.70 ? 167 GLU D H 1 ATOM 12987 H HA . GLU D 1 167 ? 30.935 -18.823 3.466 1.00 13.28 ? 167 GLU D HA 1 ATOM 12988 H HB2 . GLU D 1 167 ? 31.216 -20.865 2.365 1.00 18.72 ? 167 GLU D HB2 1 ATOM 12989 H HB3 . GLU D 1 167 ? 29.977 -20.072 1.772 1.00 18.72 ? 167 GLU D HB3 1 ATOM 12990 H HG2 . GLU D 1 167 ? 32.365 -19.792 0.453 1.00 22.89 ? 167 GLU D HG2 1 ATOM 12991 H HG3 . GLU D 1 167 ? 31.623 -21.183 0.300 1.00 22.89 ? 167 GLU D HG3 1 ATOM 12992 N N . ASN D 1 168 ? 33.704 -18.202 2.030 1.00 10.01 ? 168 ASN D N 1 ATOM 12993 C CA . ASN D 1 168 ? 35.132 -18.134 2.263 1.00 10.64 ? 168 ASN D CA 1 ATOM 12994 C C . ASN D 1 168 ? 35.484 -17.006 3.260 1.00 9.69 ? 168 ASN D C 1 ATOM 12995 O O . ASN D 1 168 ? 36.469 -17.104 4.015 1.00 10.61 ? 168 ASN D O 1 ATOM 12996 C CB . ASN D 1 168 ? 35.924 -17.943 0.971 1.00 11.73 ? 168 ASN D CB 1 ATOM 12997 C CG . ASN D 1 168 ? 35.849 -19.126 -0.019 1.00 15.54 ? 168 ASN D CG 1 ATOM 12998 O OD1 . ASN D 1 168 ? 36.253 -18.948 -1.159 1.00 23.86 ? 168 ASN D OD1 1 ATOM 12999 N ND2 . ASN D 1 168 ? 35.411 -20.289 0.406 1.00 14.48 ? 168 ASN D ND2 1 ATOM 13000 H H . ASN D 1 168 ? 33.442 -17.828 1.301 1.00 12.00 ? 168 ASN D H 1 ATOM 13001 H HA . ASN D 1 168 ? 35.421 -18.981 2.663 1.00 12.76 ? 168 ASN D HA 1 ATOM 13002 H HB2 . ASN D 1 168 ? 35.585 -17.157 0.515 1.00 14.06 ? 168 ASN D HB2 1 ATOM 13003 H HB3 . ASN D 1 168 ? 36.857 -17.810 1.199 1.00 14.06 ? 168 ASN D HB3 1 ATOM 13004 H HD21 . ASN D 1 168 ? 35.358 -21.048 -0.211 1.00 17.36 ? 168 ASN D HD21 1 ATOM 13005 H HD22 . ASN D 1 168 ? 35.138 -20.397 1.341 1.00 17.36 ? 168 ASN D HD22 1 ATOM 13006 N N . ILE D 1 169 ? 34.677 -15.946 3.272 1.00 10.01 ? 169 ILE D N 1 ATOM 13007 C CA A ILE D 1 169 ? 34.769 -14.905 4.307 0.49 10.09 ? 169 ILE D CA 1 ATOM 13008 C CA B ILE D 1 169 ? 34.868 -14.941 4.312 0.51 9.18 ? 169 ILE D CA 1 ATOM 13009 C C . ILE D 1 169 ? 34.526 -15.506 5.680 1.00 8.90 ? 169 ILE D C 1 ATOM 13010 O O . ILE D 1 169 ? 35.262 -15.286 6.622 1.00 10.65 ? 169 ILE D O 1 ATOM 13011 C CB A ILE D 1 169 ? 33.700 -13.783 4.052 0.49 10.99 ? 169 ILE D CB 1 ATOM 13012 C CB B ILE D 1 169 ? 34.047 -13.683 4.014 0.51 9.71 ? 169 ILE D CB 1 ATOM 13013 C CG1 A ILE D 1 169 ? 33.983 -13.033 2.732 0.49 12.45 ? 169 ILE D CG1 1 ATOM 13014 C CG1 B ILE D 1 169 ? 34.483 -13.095 2.677 0.51 9.33 ? 169 ILE D CG1 1 ATOM 13015 C CG2 A ILE D 1 169 ? 33.592 -12.813 5.244 0.49 6.95 ? 169 ILE D CG2 1 ATOM 13016 C CG2 B ILE D 1 169 ? 34.204 -12.650 5.120 0.51 8.78 ? 169 ILE D CG2 1 ATOM 13017 C CD1 A ILE D 1 169 ? 35.168 -12.060 2.753 0.49 13.49 ? 169 ILE D CD1 1 ATOM 13018 C CD1 B ILE D 1 169 ? 33.516 -12.080 2.152 0.51 12.07 ? 169 ILE D CD1 1 ATOM 13019 H H A ILE D 1 169 ? 34.061 -15.802 2.689 0.49 12.00 ? 169 ILE D H 1 ATOM 13020 H H B ILE D 1 169 ? 34.040 -15.790 2.716 0.51 12.00 ? 169 ILE D H 1 ATOM 13021 H HA A ILE D 1 169 ? 35.662 -14.500 4.293 0.49 12.10 ? 169 ILE D HA 1 ATOM 13022 H HA B ILE D 1 169 ? 35.813 -14.682 4.326 0.51 11.00 ? 169 ILE D HA 1 ATOM 13023 H HB A ILE D 1 169 ? 32.839 -14.221 3.957 0.49 13.18 ? 169 ILE D HB 1 ATOM 13024 H HB B ILE D 1 169 ? 33.112 -13.931 3.953 0.51 11.63 ? 169 ILE D HB 1 ATOM 13025 H HG12 A ILE D 1 169 ? 34.161 -13.689 2.040 0.49 14.93 ? 169 ILE D HG12 1 ATOM 13026 H HG12 B ILE D 1 169 ? 35.344 -12.661 2.787 0.51 11.18 ? 169 ILE D HG12 1 ATOM 13027 H HG13 A ILE D 1 169 ? 33.193 -12.521 2.496 0.49 14.93 ? 169 ILE D HG13 1 ATOM 13028 H HG13 B ILE D 1 169 ? 34.553 -13.810 2.025 0.51 11.18 ? 169 ILE D HG13 1 ATOM 13029 H HG21 A ILE D 1 169 ? 32.929 -12.147 5.045 0.49 8.32 ? 169 ILE D HG21 1 ATOM 13030 H HG21 B ILE D 1 169 ? 33.678 -11.877 4.902 0.51 10.52 ? 169 ILE D HG21 1 ATOM 13031 H HG22 A ILE D 1 169 ? 33.336 -13.307 6.026 0.49 8.32 ? 169 ILE D HG22 1 ATOM 13032 H HG22 B ILE D 1 169 ? 33.901 -13.029 5.948 0.51 10.52 ? 169 ILE D HG22 1 ATOM 13033 H HG23 A ILE D 1 169 ? 34.445 -12.395 5.384 0.49 8.32 ? 169 ILE D HG23 1 ATOM 13034 H HG23 B ILE D 1 169 ? 35.130 -12.407 5.191 0.51 10.52 ? 169 ILE D HG23 1 ATOM 13035 H HD11 A ILE D 1 169 ? 35.252 -11.652 1.888 0.49 16.18 ? 169 ILE D HD11 1 ATOM 13036 H HD11 B ILE D 1 169 ? 33.840 -11.746 1.312 0.51 14.48 ? 169 ILE D HD11 1 ATOM 13037 H HD12 A ILE D 1 169 ? 35.007 -11.387 3.419 0.49 16.18 ? 169 ILE D HD12 1 ATOM 13038 H HD12 B ILE D 1 169 ? 32.660 -12.498 2.030 0.51 14.48 ? 169 ILE D HD12 1 ATOM 13039 H HD13 A ILE D 1 169 ? 35.968 -12.546 2.966 0.49 16.18 ? 169 ILE D HD13 1 ATOM 13040 H HD13 B ILE D 1 169 ? 33.443 -11.362 2.784 0.51 14.48 ? 169 ILE D HD13 1 ATOM 13041 N N . LEU D 1 170 ? 33.428 -16.259 5.808 1.00 10.45 ? 170 LEU D N 1 ATOM 13042 C CA . LEU D 1 170 ? 33.099 -16.879 7.079 1.00 11.14 ? 170 LEU D CA 1 ATOM 13043 C C . LEU D 1 170 ? 34.186 -17.866 7.501 1.00 9.32 ? 170 LEU D C 1 ATOM 13044 O O . LEU D 1 170 ? 34.531 -17.913 8.677 1.00 12.10 ? 170 LEU D O 1 ATOM 13045 C CB . LEU D 1 170 ? 31.716 -17.553 7.050 1.00 13.83 ? 170 LEU D CB 1 ATOM 13046 C CG . LEU D 1 170 ? 30.519 -16.632 7.321 1.00 28.85 ? 170 LEU D CG 1 ATOM 13047 C CD1 . LEU D 1 170 ? 30.491 -15.348 6.463 1.00 36.83 ? 170 LEU D CD1 1 ATOM 13048 C CD2 . LEU D 1 170 ? 29.229 -17.436 7.164 1.00 27.18 ? 170 LEU D CD2 1 ATOM 13049 H H . LEU D 1 170 ? 32.867 -16.421 5.176 1.00 12.53 ? 170 LEU D H 1 ATOM 13050 H HA . LEU D 1 170 ? 33.065 -16.176 7.761 1.00 13.35 ? 170 LEU D HA 1 ATOM 13051 H HB2 . LEU D 1 170 ? 31.585 -17.947 6.173 1.00 16.58 ? 170 LEU D HB2 1 ATOM 13052 H HB3 . LEU D 1 170 ? 31.702 -18.252 7.723 1.00 16.58 ? 170 LEU D HB3 1 ATOM 13053 H HG . LEU D 1 170 ? 30.565 -16.349 8.248 1.00 34.61 ? 170 LEU D HG 1 ATOM 13054 H HD11 . LEU D 1 170 ? 29.715 -14.833 6.696 1.00 44.19 ? 170 LEU D HD11 1 ATOM 13055 H HD12 . LEU D 1 170 ? 31.286 -14.839 6.636 1.00 44.19 ? 170 LEU D HD12 1 ATOM 13056 H HD13 . LEU D 1 170 ? 30.455 -15.593 5.535 1.00 44.19 ? 170 LEU D HD13 1 ATOM 13057 H HD21 . LEU D 1 170 ? 28.480 -16.860 7.334 1.00 32.60 ? 170 LEU D HD21 1 ATOM 13058 H HD22 . LEU D 1 170 ? 29.182 -17.779 6.269 1.00 32.60 ? 170 LEU D HD22 1 ATOM 13059 H HD23 . LEU D 1 170 ? 29.234 -18.161 7.794 1.00 32.60 ? 170 LEU D HD23 1 ATOM 13060 N N . SER D 1 171 ? 34.758 -18.614 6.555 1.00 11.36 ? 171 SER D N 1 ATOM 13061 C CA . SER D 1 171 ? 35.865 -19.493 6.882 1.00 11.21 ? 171 SER D CA 1 ATOM 13062 C C . SER D 1 171 ? 37.030 -18.734 7.480 1.00 9.10 ? 171 SER D C 1 ATOM 13063 O O . SER D 1 171 ? 37.622 -19.126 8.480 1.00 11.26 ? 171 SER D O 1 ATOM 13064 C CB . SER D 1 171 ? 36.347 -20.241 5.647 1.00 14.90 ? 171 SER D CB 1 ATOM 13065 O OG . SER D 1 171 ? 35.349 -21.148 5.216 1.00 19.33 ? 171 SER D OG 1 ATOM 13066 H H . SER D 1 171 ? 34.522 -18.628 5.728 1.00 13.62 ? 171 SER D H 1 ATOM 13067 H HA . SER D 1 171 ? 35.565 -20.154 7.540 1.00 13.44 ? 171 SER D HA 1 ATOM 13068 H HB2 . SER D 1 171 ? 36.528 -19.604 4.938 1.00 17.87 ? 171 SER D HB2 1 ATOM 13069 H HB3 . SER D 1 171 ? 37.153 -20.735 5.867 1.00 17.87 ? 171 SER D HB3 1 ATOM 13070 H HG . SER D 1 171 ? 34.696 -21.103 5.710 1.00 23.18 ? 171 SER D HG 1 ATOM 13071 N N . ALA D 1 172 ? 37.373 -17.594 6.892 1.00 9.22 ? 172 ALA D N 1 ATOM 13072 C CA . ALA D 1 172 ? 38.443 -16.791 7.447 1.00 10.64 ? 172 ALA D CA 1 ATOM 13073 C C . ALA D 1 172 ? 38.062 -16.296 8.852 1.00 10.16 ? 172 ALA D C 1 ATOM 13074 O O . ALA D 1 172 ? 38.863 -16.387 9.802 1.00 10.47 ? 172 ALA D O 1 ATOM 13075 C CB . ALA D 1 172 ? 38.760 -15.619 6.519 1.00 9.51 ? 172 ALA D CB 1 ATOM 13076 H H . ALA D 1 172 ? 37.007 -17.272 6.184 1.00 11.05 ? 172 ALA D H 1 ATOM 13077 H HA . ALA D 1 172 ? 39.250 -17.342 7.527 1.00 12.75 ? 172 ALA D HA 1 ATOM 13078 H HB1 . ALA D 1 172 ? 39.470 -15.100 6.904 1.00 11.40 ? 172 ALA D HB1 1 ATOM 13079 H HB2 . ALA D 1 172 ? 39.030 -15.963 5.665 1.00 11.40 ? 172 ALA D HB2 1 ATOM 13080 H HB3 . ALA D 1 172 ? 37.973 -15.078 6.421 1.00 11.40 ? 172 ALA D HB3 1 ATOM 13081 N N . TYR D 1 173 ? 36.842 -15.781 8.992 1.00 9.57 ? 173 TYR D N 1 ATOM 13082 C CA . TYR D 1 173 ? 36.377 -15.321 10.309 1.00 9.42 ? 173 TYR D CA 1 ATOM 13083 C C . TYR D 1 173 ? 36.509 -16.426 11.367 1.00 11.26 ? 173 TYR D C 1 ATOM 13084 O O . TYR D 1 173 ? 36.900 -16.169 12.514 1.00 12.66 ? 173 TYR D O 1 ATOM 13085 C CB . TYR D 1 173 ? 34.940 -14.800 10.184 1.00 10.34 ? 173 TYR D CB 1 ATOM 13086 C CG . TYR D 1 173 ? 34.275 -14.408 11.482 1.00 11.20 ? 173 TYR D CG 1 ATOM 13087 C CD1 . TYR D 1 173 ? 34.878 -13.524 12.374 1.00 11.31 ? 173 TYR D CD1 1 ATOM 13088 C CD2 . TYR D 1 173 ? 33.046 -14.914 11.787 1.00 14.75 ? 173 TYR D CD2 1 ATOM 13089 C CE1 . TYR D 1 173 ? 34.260 -13.185 13.567 1.00 13.19 ? 173 TYR D CE1 1 ATOM 13090 C CE2 . TYR D 1 173 ? 32.417 -14.565 12.974 1.00 17.30 ? 173 TYR D CE2 1 ATOM 13091 C CZ . TYR D 1 173 ? 33.043 -13.714 13.840 1.00 15.86 ? 173 TYR D CZ 1 ATOM 13092 O OH . TYR D 1 173 ? 32.391 -13.375 15.014 1.00 22.03 ? 173 TYR D OH 1 ATOM 13093 H H . TYR D 1 173 ? 36.272 -15.685 8.355 1.00 11.48 ? 173 TYR D H 1 ATOM 13094 H HA . TYR D 1 173 ? 36.939 -14.571 10.594 1.00 11.29 ? 173 TYR D HA 1 ATOM 13095 H HB2 . TYR D 1 173 ? 34.947 -14.017 9.612 1.00 12.40 ? 173 TYR D HB2 1 ATOM 13096 H HB3 . TYR D 1 173 ? 34.397 -15.493 9.777 1.00 12.40 ? 173 TYR D HB3 1 ATOM 13097 H HD1 . TYR D 1 173 ? 35.719 -13.179 12.179 1.00 13.56 ? 173 TYR D HD1 1 ATOM 13098 H HD2 . TYR D 1 173 ? 32.629 -15.500 11.198 1.00 17.69 ? 173 TYR D HD2 1 ATOM 13099 H HE1 . TYR D 1 173 ? 34.668 -12.598 14.163 1.00 15.82 ? 173 TYR D HE1 1 ATOM 13100 H HE2 . TYR D 1 173 ? 31.582 -14.917 13.183 1.00 20.75 ? 173 TYR D HE2 1 ATOM 13101 H HH . TYR D 1 173 ? 32.257 -14.047 15.464 1.00 26.42 ? 173 TYR D HH 1 ATOM 13102 N N . GLN D 1 174 ? 36.170 -17.645 10.979 1.00 11.64 ? 174 GLN D N 1 ATOM 13103 C CA . GLN D 1 174 ? 36.172 -18.760 11.930 1.00 12.36 ? 174 GLN D CA 1 ATOM 13104 C C . GLN D 1 174 ? 37.560 -19.360 12.170 1.00 16.81 ? 174 GLN D C 1 ATOM 13105 O O . GLN D 1 174 ? 37.722 -20.247 13.019 1.00 18.69 ? 174 GLN D O 1 ATOM 13106 C CB . GLN D 1 174 ? 35.255 -19.852 11.415 1.00 15.02 ? 174 GLN D CB 1 ATOM 13107 C CG . GLN D 1 174 ? 33.789 -19.482 11.361 1.00 18.36 ? 174 GLN D CG 1 ATOM 13108 C CD . GLN D 1 174 ? 32.980 -20.431 10.464 1.00 25.13 ? 174 GLN D CD 1 ATOM 13109 O OE1 . GLN D 1 174 ? 33.528 -21.386 9.869 1.00 26.57 ? 174 GLN D OE1 1 ATOM 13110 N NE2 . GLN D 1 174 ? 31.690 -20.148 10.332 1.00 33.28 ? 174 GLN D NE2 1 ATOM 13111 H H . GLN D 1 174 ? 35.935 -17.859 10.179 1.00 13.96 ? 174 GLN D H 1 ATOM 13112 H HA . GLN D 1 174 ? 35.822 -18.447 12.790 1.00 14.82 ? 174 GLN D HA 1 ATOM 13113 H HB2 . GLN D 1 174 ? 35.530 -20.087 10.515 1.00 18.01 ? 174 GLN D HB2 1 ATOM 13114 H HB3 . GLN D 1 174 ? 35.340 -20.625 11.994 1.00 18.01 ? 174 GLN D HB3 1 ATOM 13115 H HG2 . GLN D 1 174 ? 33.418 -19.524 12.256 1.00 22.02 ? 174 GLN D HG2 1 ATOM 13116 H HG3 . GLN D 1 174 ? 33.702 -18.584 11.006 1.00 22.02 ? 174 GLN D HG3 1 ATOM 13117 H HE21 . GLN D 1 174 ? 31.188 -20.646 9.842 1.00 39.92 ? 174 GLN D HE21 1 ATOM 13118 H HE22 . GLN D 1 174 ? 31.355 -19.467 10.737 1.00 39.92 ? 174 GLN D HE22 1 ATOM 13119 N N . GLY D 1 175 ? 38.567 -18.913 11.436 1.00 12.97 ? 175 GLY D N 1 ATOM 13120 C CA . GLY D 1 175 ? 39.922 -19.357 11.676 1.00 13.50 ? 175 GLY D CA 1 ATOM 13121 C C . GLY D 1 175 ? 40.412 -20.463 10.767 1.00 13.91 ? 175 GLY D C 1 ATOM 13122 O O . GLY D 1 175 ? 41.483 -21.021 11.021 1.00 14.85 ? 175 GLY D O 1 ATOM 13123 H H . GLY D 1 175 ? 38.489 -18.350 10.791 1.00 15.55 ? 175 GLY D H 1 ATOM 13124 H HA2 . GLY D 1 175 ? 40.521 -18.601 11.575 1.00 16.19 ? 175 GLY D HA2 1 ATOM 13125 H HA3 . GLY D 1 175 ? 39.990 -19.672 12.591 1.00 16.19 ? 175 GLY D HA3 1 ATOM 13126 N N . THR D 1 176 ? 39.657 -20.754 9.716 1.00 12.92 ? 176 THR D N 1 ATOM 13127 C CA . THR D 1 176 ? 40.091 -21.706 8.684 1.00 13.14 ? 176 THR D CA 1 ATOM 13128 C C . THR D 1 176 ? 40.064 -21.078 7.277 1.00 13.00 ? 176 THR D C 1 ATOM 13129 O O . THR D 1 176 ? 39.338 -21.514 6.385 1.00 13.90 ? 176 THR D O 1 ATOM 13130 C CB . THR D 1 176 ? 39.209 -22.957 8.720 1.00 14.94 ? 176 THR D CB 1 ATOM 13131 O OG1 . THR D 1 176 ? 37.835 -22.580 8.563 1.00 18.39 ? 176 THR D OG1 1 ATOM 13132 C CG2 . THR D 1 176 ? 39.380 -23.681 10.056 1.00 24.91 ? 176 THR D CG2 1 ATOM 13133 H H . THR D 1 176 ? 38.881 -20.413 9.571 1.00 15.50 ? 176 THR D H 1 ATOM 13134 H HA . THR D 1 176 ? 41.012 -21.981 8.873 1.00 15.76 ? 176 THR D HA 1 ATOM 13135 H HB . THR D 1 176 ? 39.467 -23.559 8.005 1.00 17.92 ? 176 THR D HB 1 ATOM 13136 H HG1 . THR D 1 176 ? 37.358 -23.246 8.582 1.00 22.05 ? 176 THR D HG1 1 ATOM 13137 H HG21 . THR D 1 176 ? 38.827 -24.465 10.077 1.00 29.88 ? 176 THR D HG21 1 ATOM 13138 H HG22 . THR D 1 176 ? 40.296 -23.943 10.172 1.00 29.88 ? 176 THR D HG22 1 ATOM 13139 H HG23 . THR D 1 176 ? 39.127 -23.101 10.778 1.00 29.88 ? 176 THR D HG23 1 ATOM 13140 N N . PRO D 1 177 ? 40.877 -20.036 7.053 1.00 11.64 ? 177 PRO D N 1 ATOM 13141 C CA . PRO D 1 177 ? 40.873 -19.368 5.753 1.00 10.56 ? 177 PRO D CA 1 ATOM 13142 C C . PRO D 1 177 ? 41.356 -20.259 4.612 1.00 13.04 ? 177 PRO D C 1 ATOM 13143 O O . PRO D 1 177 ? 42.159 -21.169 4.827 1.00 13.40 ? 177 PRO D O 1 ATOM 13144 C CB . PRO D 1 177 ? 41.849 -18.198 5.952 1.00 11.10 ? 177 PRO D CB 1 ATOM 13145 C CG . PRO D 1 177 ? 42.744 -18.643 7.038 1.00 11.92 ? 177 PRO D CG 1 ATOM 13146 C CD . PRO D 1 177 ? 41.861 -19.447 7.966 1.00 12.64 ? 177 PRO D CD 1 ATOM 13147 H HA . PRO D 1 177 ? 39.981 -19.020 5.546 1.00 12.66 ? 177 PRO D HA 1 ATOM 13148 H HB2 . PRO D 1 177 ? 42.348 -18.043 5.135 1.00 13.30 ? 177 PRO D HB2 1 ATOM 13149 H HB3 . PRO D 1 177 ? 41.359 -17.402 6.213 1.00 13.30 ? 177 PRO D HB3 1 ATOM 13150 H HG2 . PRO D 1 177 ? 43.453 -19.196 6.673 1.00 14.29 ? 177 PRO D HG2 1 ATOM 13151 H HG3 . PRO D 1 177 ? 43.112 -17.871 7.497 1.00 14.29 ? 177 PRO D HG3 1 ATOM 13152 H HD2 . PRO D 1 177 ? 42.374 -20.143 8.406 1.00 15.16 ? 177 PRO D HD2 1 ATOM 13153 H HD3 . PRO D 1 177 ? 41.423 -18.866 8.608 1.00 15.16 ? 177 PRO D HD3 1 ATOM 13154 N N . LEU D 1 178 ? 40.883 -19.957 3.418 1.00 11.77 ? 178 LEU D N 1 ATOM 13155 C CA . LEU D 1 178 ? 41.420 -20.546 2.211 1.00 11.62 ? 178 LEU D CA 1 ATOM 13156 C C . LEU D 1 178 ? 42.838 -20.057 2.011 1.00 14.83 ? 178 LEU D C 1 ATOM 13157 O O . LEU D 1 178 ? 43.228 -19.009 2.506 1.00 15.19 ? 178 LEU D O 1 ATOM 13158 C CB . LEU D 1 178 ? 40.574 -20.167 1.022 1.00 15.20 ? 178 LEU D CB 1 ATOM 13159 C CG . LEU D 1 178 ? 39.250 -20.872 0.954 1.00 13.47 ? 178 LEU D CG 1 ATOM 13160 C CD1 . LEU D 1 178 ? 38.495 -20.315 -0.235 1.00 32.64 ? 178 LEU D CD1 1 ATOM 13161 C CD2 . LEU D 1 178 ? 39.375 -22.408 0.852 1.00 16.24 ? 178 LEU D CD2 1 ATOM 13162 H H . LEU D 1 178 ? 40.238 -19.404 3.279 1.00 14.11 ? 178 LEU D H 1 ATOM 13163 H HA . LEU D 1 178 ? 41.431 -21.522 2.293 1.00 13.93 ? 178 LEU D HA 1 ATOM 13164 H HB2 . LEU D 1 178 ? 40.399 -19.214 1.057 1.00 18.23 ? 178 LEU D HB2 1 ATOM 13165 H HB3 . LEU D 1 178 ? 41.064 -20.381 0.212 1.00 18.23 ? 178 LEU D HB3 1 ATOM 13166 H HG . LEU D 1 178 ? 38.743 -20.666 1.754 1.00 16.15 ? 178 LEU D HG 1 ATOM 13167 H HD11 . LEU D 1 178 ? 37.643 -20.753 -0.297 1.00 39.15 ? 178 LEU D HD11 1 ATOM 13168 H HD12 . LEU D 1 178 ? 38.369 -19.371 -0.111 1.00 39.15 ? 178 LEU D HD12 1 ATOM 13169 H HD13 . LEU D 1 178 ? 39.005 -20.475 -1.032 1.00 39.15 ? 178 LEU D HD13 1 ATOM 13170 H HD21 . LEU D 1 178 ? 38.496 -22.791 0.813 1.00 19.47 ? 178 LEU D HD21 1 ATOM 13171 H HD22 . LEU D 1 178 ? 39.865 -22.629 0.057 1.00 19.47 ? 178 LEU D HD22 1 ATOM 13172 H HD23 . LEU D 1 178 ? 39.841 -22.735 1.626 1.00 19.47 ? 178 LEU D HD23 1 ATOM 13173 N N . PRO D 1 179 ? 43.655 -20.832 1.314 1.00 10.75 ? 179 PRO D N 1 ATOM 13174 C CA . PRO D 1 179 ? 44.989 -20.381 0.953 1.00 10.21 ? 179 PRO D CA 1 ATOM 13175 C C . PRO D 1 179 ? 44.989 -19.048 0.242 1.00 11.17 ? 179 PRO D C 1 ATOM 13176 O O . PRO D 1 179 ? 44.156 -18.841 -0.654 1.00 12.00 ? 179 PRO D O 1 ATOM 13177 C CB . PRO D 1 179 ? 45.448 -21.443 -0.065 1.00 17.57 ? 179 PRO D CB 1 ATOM 13178 C CG . PRO D 1 179 ? 44.574 -22.565 0.143 1.00 16.09 ? 179 PRO D CG 1 ATOM 13179 C CD . PRO D 1 179 ? 43.295 -22.122 0.702 1.00 11.91 ? 179 PRO D CD 1 ATOM 13180 H HA . PRO D 1 179 ? 45.589 -20.363 1.728 1.00 12.24 ? 179 PRO D HA 1 ATOM 13181 H HB2 . PRO D 1 179 ? 45.352 -21.096 -0.965 1.00 21.07 ? 179 PRO D HB2 1 ATOM 13182 H HB3 . PRO D 1 179 ? 46.370 -21.689 0.112 1.00 21.07 ? 179 PRO D HB3 1 ATOM 13183 H HG2 . PRO D 1 179 ? 44.424 -23.003 -0.709 1.00 19.29 ? 179 PRO D HG2 1 ATOM 13184 H HG3 . PRO D 1 179 ? 45.002 -23.182 0.757 1.00 19.29 ? 179 PRO D HG3 1 ATOM 13185 H HD2 . PRO D 1 179 ? 42.640 -21.995 -0.003 1.00 14.28 ? 179 PRO D HD2 1 ATOM 13186 H HD3 . PRO D 1 179 ? 42.982 -22.745 1.376 1.00 14.28 ? 179 PRO D HD3 1 ATOM 13187 N N . ALA D 1 180 ? 45.916 -18.169 0.632 1.00 9.96 ? 180 ALA D N 1 ATOM 13188 C CA . ALA D 1 180 ? 45.958 -16.807 0.101 1.00 10.66 ? 180 ALA D CA 1 ATOM 13189 C C . ALA D 1 180 ? 47.235 -16.531 -0.669 1.00 11.60 ? 180 ALA D C 1 ATOM 13190 O O . ALA D 1 180 ? 48.317 -16.895 -0.214 1.00 17.46 ? 180 ALA D O 1 ATOM 13191 C CB . ALA D 1 180 ? 45.804 -15.796 1.239 1.00 11.68 ? 180 ALA D CB 1 ATOM 13192 H H . ALA D 1 180 ? 46.533 -18.339 1.205 1.00 11.94 ? 180 ALA D H 1 ATOM 13193 H HA . ALA D 1 180 ? 45.205 -16.684 -0.514 1.00 12.78 ? 180 ALA D HA 1 ATOM 13194 H HB1 . ALA D 1 180 ? 45.834 -14.909 0.875 1.00 14.00 ? 180 ALA D HB1 1 ATOM 13195 H HB2 . ALA D 1 180 ? 44.962 -15.943 1.676 1.00 14.00 ? 180 ALA D HB2 1 ATOM 13196 H HB3 . ALA D 1 180 ? 46.523 -15.918 1.864 1.00 14.00 ? 180 ALA D HB3 1 ATOM 13197 N N . ASN D 1 181 ? 47.102 -15.911 -1.823 1.00 9.46 ? 181 ASN D N 1 ATOM 13198 C CA . ASN D 1 181 ? 48.213 -15.819 -2.755 1.00 11.35 ? 181 ASN D CA 1 ATOM 13199 C C . ASN D 1 181 ? 48.920 -14.497 -2.866 1.00 14.49 ? 181 ASN D C 1 ATOM 13200 O O . ASN D 1 181 ? 49.897 -14.370 -3.615 1.00 18.71 ? 181 ASN D O 1 ATOM 13201 C CB . ASN D 1 181 ? 47.785 -16.308 -4.145 1.00 12.65 ? 181 ASN D CB 1 ATOM 13202 C CG . ASN D 1 181 ? 46.661 -15.508 -4.757 1.00 16.37 ? 181 ASN D CG 1 ATOM 13203 O OD1 . ASN D 1 181 ? 46.104 -14.588 -4.135 1.00 13.17 ? 181 ASN D OD1 1 ATOM 13204 N ND2 . ASN D 1 181 ? 46.289 -15.875 -5.972 1.00 17.67 ? 181 ASN D ND2 1 ATOM 13205 H H . ASN D 1 181 ? 46.379 -15.532 -2.094 1.00 11.34 ? 181 ASN D H 1 ATOM 13206 H HA . ASN D 1 181 ? 48.891 -16.455 -2.444 1.00 13.61 ? 181 ASN D HA 1 ATOM 13207 H HB2 . ASN D 1 181 ? 48.547 -16.254 -4.743 1.00 15.17 ? 181 ASN D HB2 1 ATOM 13208 H HB3 . ASN D 1 181 ? 47.489 -17.229 -4.074 1.00 15.17 ? 181 ASN D HB3 1 ATOM 13209 H HD21 . ASN D 1 181 ? 45.565 -15.397 -6.428 1.00 21.19 ? 181 ASN D HD21 1 ATOM 13210 H HD22 . ASN D 1 181 ? 46.738 -16.624 -6.416 1.00 21.19 ? 181 ASN D HD22 1 ATOM 13211 N N . ILE D 1 182 ? 48.448 -13.488 -2.146 1.00 9.74 ? 182 ILE D N 1 ATOM 13212 C CA . ILE D 1 182 ? 49.217 -12.234 -2.060 1.00 10.54 ? 182 ILE D CA 1 ATOM 13213 C C . ILE D 1 182 ? 49.966 -12.101 -0.727 1.00 13.21 ? 182 ILE D C 1 ATOM 13214 O O . ILE D 1 182 ? 51.168 -11.860 -0.690 1.00 14.04 ? 182 ILE D O 1 ATOM 13215 C CB . ILE D 1 182 ? 48.328 -11.015 -2.294 1.00 10.96 ? 182 ILE D CB 1 ATOM 13216 C CG1 . ILE D 1 182 ? 47.659 -11.106 -3.671 1.00 11.59 ? 182 ILE D CG1 1 ATOM 13217 C CG2 . ILE D 1 182 ? 49.173 -9.730 -2.189 1.00 14.99 ? 182 ILE D CG2 1 ATOM 13218 C CD1 . ILE D 1 182 ? 46.685 -9.951 -3.980 1.00 15.74 ? 182 ILE D CD1 1 ATOM 13219 H H . ILE D 1 182 ? 47.708 -13.493 -1.708 1.00 11.68 ? 182 ILE D H 1 ATOM 13220 H HA . ILE D 1 182 ? 49.891 -12.240 -2.771 1.00 12.64 ? 182 ILE D HA 1 ATOM 13221 H HB . ILE D 1 182 ? 47.639 -10.994 -1.612 1.00 13.15 ? 182 ILE D HB 1 ATOM 13222 H HG12 . ILE D 1 182 ? 48.349 -11.101 -4.353 1.00 13.90 ? 182 ILE D HG12 1 ATOM 13223 H HG13 . ILE D 1 182 ? 47.158 -11.936 -3.719 1.00 13.90 ? 182 ILE D HG13 1 ATOM 13224 H HG21 . ILE D 1 182 ? 48.605 -8.970 -2.338 1.00 17.98 ? 182 ILE D HG21 1 ATOM 13225 H HG22 . ILE D 1 182 ? 49.560 -9.683 -1.312 1.00 17.98 ? 182 ILE D HG22 1 ATOM 13226 H HG23 . ILE D 1 182 ? 49.866 -9.757 -2.852 1.00 17.98 ? 182 ILE D HG23 1 ATOM 13227 H HD11 . ILE D 1 182 ? 46.312 -10.083 -4.855 1.00 18.87 ? 182 ILE D HD11 1 ATOM 13228 H HD12 . ILE D 1 182 ? 45.986 -9.949 -3.323 1.00 18.87 ? 182 ILE D HD12 1 ATOM 13229 H HD13 . ILE D 1 182 ? 47.166 -9.121 -3.951 1.00 18.87 ? 182 ILE D HD13 1 ATOM 13230 N N . LEU D 1 183 ? 49.228 -12.269 0.377 1.00 9.84 ? 183 LEU D N 1 ATOM 13231 C CA . LEU D 1 183 ? 49.825 -12.294 1.702 1.00 7.77 ? 183 LEU D CA 1 ATOM 13232 C C . LEU D 1 183 ? 49.181 -13.427 2.482 1.00 9.09 ? 183 LEU D C 1 ATOM 13233 O O . LEU D 1 183 ? 47.968 -13.638 2.424 1.00 9.84 ? 183 LEU D O 1 ATOM 13234 C CB . LEU D 1 183 ? 49.549 -10.983 2.484 1.00 8.46 ? 183 LEU D CB 1 ATOM 13235 C CG . LEU D 1 183 ? 50.211 -9.740 1.872 1.00 12.22 ? 183 LEU D CG 1 ATOM 13236 C CD1 . LEU D 1 183 ? 49.603 -8.463 2.483 1.00 10.55 ? 183 LEU D CD1 1 ATOM 13237 C CD2 . LEU D 1 183 ? 51.719 -9.766 2.040 1.00 13.19 ? 183 LEU D CD2 1 ATOM 13238 H H . LEU D 1 183 ? 48.374 -12.370 0.378 1.00 11.80 ? 183 LEU D H 1 ATOM 13239 H HA . LEU D 1 183 ? 50.792 -12.444 1.642 1.00 9.31 ? 183 LEU D HA 1 ATOM 13240 H HB2 . LEU D 1 183 ? 48.592 -10.828 2.505 1.00 10.14 ? 183 LEU D HB2 1 ATOM 13241 H HB3 . LEU D 1 183 ? 49.886 -11.082 3.388 1.00 10.14 ? 183 LEU D HB3 1 ATOM 13242 H HG . LEU D 1 183 ? 50.023 -9.728 0.921 1.00 14.65 ? 183 LEU D HG 1 ATOM 13243 H HD11 . LEU D 1 183 ? 50.027 -7.696 2.090 1.00 12.64 ? 183 LEU D HD11 1 ATOM 13244 H HD12 . LEU D 1 183 ? 48.661 -8.447 2.298 1.00 12.64 ? 183 LEU D HD12 1 ATOM 13245 H HD13 . LEU D 1 183 ? 49.751 -8.469 3.431 1.00 12.64 ? 183 LEU D HD13 1 ATOM 13246 H HD21 . LEU D 1 183 ? 52.091 -8.974 1.645 1.00 15.82 ? 183 LEU D HD21 1 ATOM 13247 H HD22 . LEU D 1 183 ? 51.929 -9.794 2.976 1.00 15.82 ? 183 LEU D HD22 1 ATOM 13248 H HD23 . LEU D 1 183 ? 52.069 -10.546 1.602 1.00 15.82 ? 183 LEU D HD23 1 ATOM 13249 N N . ASP D 1 184 ? 49.997 -14.177 3.227 1.00 11.22 ? 184 ASP D N 1 ATOM 13250 C CA . ASP D 1 184 ? 49.488 -15.305 4.001 1.00 9.61 ? 184 ASP D CA 1 ATOM 13251 C C . ASP D 1 184 ? 50.182 -15.371 5.331 1.00 11.22 ? 184 ASP D C 1 ATOM 13252 O O . ASP D 1 184 ? 51.400 -15.500 5.439 1.00 11.27 ? 184 ASP D O 1 ATOM 13253 C CB . ASP D 1 184 ? 49.663 -16.632 3.217 1.00 15.07 ? 184 ASP D CB 1 ATOM 13254 C CG . ASP D 1 184 ? 48.805 -17.790 3.795 1.00 18.33 ? 184 ASP D CG 1 ATOM 13255 O OD1 . ASP D 1 184 ? 49.131 -18.160 4.929 1.00 14.50 ? 184 ASP D OD1 1 ATOM 13256 O OD2 . ASP D 1 184 ? 47.791 -18.307 3.151 1.00 18.98 ? 184 ASP D OD2 1 ATOM 13257 H H . ASP D 1 184 ? 50.845 -14.053 3.298 1.00 13.45 ? 184 ASP D H 1 ATOM 13258 H HA . ASP D 1 184 ? 48.530 -15.174 4.165 1.00 11.52 ? 184 ASP D HA 1 ATOM 13259 H HB2 . ASP D 1 184 ? 49.396 -16.492 2.295 1.00 18.07 ? 184 ASP D HB2 1 ATOM 13260 H HB3 . ASP D 1 184 ? 50.594 -16.901 3.256 1.00 18.07 ? 184 ASP D HB3 1 ATOM 13261 N N . TRP D 1 185 ? 49.385 -15.273 6.399 1.00 9.86 ? 185 TRP D N 1 ATOM 13262 C CA . TRP D 1 185 ? 49.883 -15.221 7.756 1.00 9.28 ? 185 TRP D CA 1 ATOM 13263 C C . TRP D 1 185 ? 50.744 -16.436 8.134 1.00 10.72 ? 185 TRP D C 1 ATOM 13264 O O . TRP D 1 185 ? 51.553 -16.352 9.023 1.00 10.23 ? 185 TRP D O 1 ATOM 13265 C CB . TRP D 1 185 ? 48.673 -15.110 8.700 1.00 9.69 ? 185 TRP D CB 1 ATOM 13266 C CG . TRP D 1 185 ? 48.968 -14.610 10.070 1.00 8.83 ? 185 TRP D CG 1 ATOM 13267 C CD1 . TRP D 1 185 ? 48.834 -15.285 11.263 1.00 8.62 ? 185 TRP D CD1 1 ATOM 13268 C CD2 . TRP D 1 185 ? 49.427 -13.299 10.409 1.00 8.40 ? 185 TRP D CD2 1 ATOM 13269 N NE1 . TRP D 1 185 ? 49.194 -14.453 12.322 1.00 10.00 ? 185 TRP D NE1 1 ATOM 13270 C CE2 . TRP D 1 185 ? 49.567 -13.241 11.821 1.00 8.99 ? 185 TRP D CE2 1 ATOM 13271 C CE3 . TRP D 1 185 ? 49.709 -12.156 9.665 1.00 9.31 ? 185 TRP D CE3 1 ATOM 13272 C CZ2 . TRP D 1 185 ? 50.009 -12.087 12.491 1.00 8.73 ? 185 TRP D CZ2 1 ATOM 13273 C CZ3 . TRP D 1 185 ? 50.152 -10.998 10.349 1.00 11.44 ? 185 TRP D CZ3 1 ATOM 13274 C CH2 . TRP D 1 185 ? 50.296 -10.989 11.738 1.00 10.97 ? 185 TRP D CH2 1 ATOM 13275 H H . TRP D 1 185 ? 48.527 -15.236 6.351 1.00 11.82 ? 185 TRP D H 1 ATOM 13276 H HA . TRP D 1 185 ? 50.429 -14.415 7.865 1.00 11.12 ? 185 TRP D HA 1 ATOM 13277 H HB2 . TRP D 1 185 ? 48.028 -14.504 8.302 1.00 11.61 ? 185 TRP D HB2 1 ATOM 13278 H HB3 . TRP D 1 185 ? 48.275 -15.990 8.792 1.00 11.61 ? 185 TRP D HB3 1 ATOM 13279 H HD1 . TRP D 1 185 ? 48.561 -16.170 11.347 1.00 10.34 ? 185 TRP D HD1 1 ATOM 13280 H HE1 . TRP D 1 185 ? 49.211 -14.679 13.152 1.00 11.99 ? 185 TRP D HE1 1 ATOM 13281 H HE3 . TRP D 1 185 ? 49.637 -12.163 8.738 1.00 11.16 ? 185 TRP D HE3 1 ATOM 13282 H HZ2 . TRP D 1 185 ? 50.088 -12.070 13.417 1.00 10.47 ? 185 TRP D HZ2 1 ATOM 13283 H HZ3 . TRP D 1 185 ? 50.368 -10.236 9.863 1.00 13.71 ? 185 TRP D HZ3 1 ATOM 13284 H HH2 . TRP D 1 185 ? 50.583 -10.211 12.160 1.00 13.15 ? 185 TRP D HH2 1 ATOM 13285 N N . GLN D 1 186 ? 50.494 -17.561 7.472 1.00 11.25 ? 186 GLN D N 1 ATOM 13286 C CA . GLN D 1 186 ? 51.249 -18.787 7.773 1.00 11.20 ? 186 GLN D CA 1 ATOM 13287 C C . GLN D 1 186 ? 52.571 -18.881 6.994 1.00 13.61 ? 186 GLN D C 1 ATOM 13288 O O . GLN D 1 186 ? 53.310 -19.844 7.178 1.00 14.56 ? 186 GLN D O 1 ATOM 13289 C CB . GLN D 1 186 ? 50.406 -20.010 7.430 1.00 14.31 ? 186 GLN D CB 1 ATOM 13290 C CG . GLN D 1 186 ? 49.125 -20.143 8.258 1.00 15.61 ? 186 GLN D CG 1 ATOM 13291 C CD . GLN D 1 186 ? 48.570 -21.587 8.270 1.00 26.41 ? 186 GLN D CD 1 ATOM 13292 O OE1 . GLN D 1 186 ? 48.530 -22.247 7.251 1.00 24.58 ? 186 GLN D OE1 1 ATOM 13293 N NE2 . GLN D 1 186 ? 48.162 -22.066 9.437 1.00 31.84 ? 186 GLN D NE2 1 ATOM 13294 H H . GLN D 1 186 ? 49.903 -17.647 6.852 1.00 13.49 ? 186 GLN D H 1 ATOM 13295 H HA . GLN D 1 186 ? 51.454 -18.814 8.731 1.00 13.43 ? 186 GLN D HA 1 ATOM 13296 H HB2 . GLN D 1 186 ? 50.150 -19.958 6.496 1.00 17.16 ? 186 GLN D HB2 1 ATOM 13297 H HB3 . GLN D 1 186 ? 50.939 -20.806 7.580 1.00 17.16 ? 186 GLN D HB3 1 ATOM 13298 H HG2 . GLN D 1 186 ? 49.312 -19.886 9.175 1.00 18.72 ? 186 GLN D HG2 1 ATOM 13299 H HG3 . GLN D 1 186 ? 48.444 -19.563 7.883 1.00 18.72 ? 186 GLN D HG3 1 ATOM 13300 H HE21 . GLN D 1 186 ? 47.847 -22.865 9.487 1.00 38.20 ? 186 GLN D HE21 1 ATOM 13301 H HE22 . GLN D 1 186 ? 48.212 -21.578 10.143 1.00 38.20 ? 186 GLN D HE22 1 ATOM 13302 N N . ALA D 1 187 ? 52.842 -17.931 6.104 1.00 12.08 ? 187 ALA D N 1 ATOM 13303 C CA . ALA D 1 187 ? 54.079 -17.883 5.337 1.00 13.55 ? 187 ALA D CA 1 ATOM 13304 C C . ALA D 1 187 ? 54.333 -16.438 4.972 1.00 12.42 ? 187 ALA D C 1 ATOM 13305 O O . ALA D 1 187 ? 54.261 -16.034 3.804 1.00 12.93 ? 187 ALA D O 1 ATOM 13306 C CB . ALA D 1 187 ? 53.956 -18.771 4.080 1.00 15.91 ? 187 ALA D CB 1 ATOM 13307 H H . ALA D 1 187 ? 52.306 -17.284 5.923 1.00 14.48 ? 187 ALA D H 1 ATOM 13308 H HA . ALA D 1 187 ? 54.824 -18.209 5.884 1.00 16.25 ? 187 ALA D HA 1 ATOM 13309 H HB1 . ALA D 1 187 ? 54.779 -18.728 3.586 1.00 19.08 ? 187 ALA D HB1 1 ATOM 13310 H HB2 . ALA D 1 187 ? 53.784 -19.675 4.352 1.00 19.08 ? 187 ALA D HB2 1 ATOM 13311 H HB3 . ALA D 1 187 ? 53.232 -18.448 3.539 1.00 19.08 ? 187 ALA D HB3 1 ATOM 13312 N N . LEU D 1 188 ? 54.555 -15.633 6.006 1.00 12.87 ? 188 LEU D N 1 ATOM 13313 C CA . LEU D 1 188 ? 54.639 -14.176 5.851 1.00 11.80 ? 188 LEU D CA 1 ATOM 13314 C C . LEU D 1 188 ? 56.082 -13.699 5.809 1.00 12.59 ? 188 LEU D C 1 ATOM 13315 O O . LEU D 1 188 ? 56.898 -14.109 6.625 1.00 13.77 ? 188 LEU D O 1 ATOM 13316 C CB . LEU D 1 188 ? 53.918 -13.504 7.022 1.00 11.81 ? 188 LEU D CB 1 ATOM 13317 C CG . LEU D 1 188 ? 53.558 -12.017 6.836 1.00 10.37 ? 188 LEU D CG 1 ATOM 13318 C CD1 . LEU D 1 188 ? 52.399 -11.884 5.889 1.00 15.02 ? 188 LEU D CD1 1 ATOM 13319 C CD2 . LEU D 1 188 ? 53.167 -11.386 8.188 1.00 11.33 ? 188 LEU D CD2 1 ATOM 13320 H H . LEU D 1 188 ? 54.661 -15.904 6.815 1.00 15.43 ? 188 LEU D H 1 ATOM 13321 H HA . LEU D 1 188 ? 54.198 -13.908 5.018 1.00 14.15 ? 188 LEU D HA 1 ATOM 13322 H HB2 . LEU D 1 188 ? 53.091 -13.983 7.185 1.00 14.16 ? 188 LEU D HB2 1 ATOM 13323 H HB3 . LEU D 1 188 ? 54.487 -13.567 7.805 1.00 14.16 ? 188 LEU D HB3 1 ATOM 13324 H HG . LEU D 1 188 ? 54.318 -11.536 6.472 1.00 12.44 ? 188 LEU D HG 1 ATOM 13325 H HD11 . LEU D 1 188 ? 52.187 -10.954 5.784 1.00 18.02 ? 188 LEU D HD11 1 ATOM 13326 H HD12 . LEU D 1 188 ? 52.644 -12.263 5.041 1.00 18.02 ? 188 LEU D HD12 1 ATOM 13327 H HD13 . LEU D 1 188 ? 51.644 -12.354 6.251 1.00 18.02 ? 188 LEU D HD13 1 ATOM 13328 H HD21 . LEU D 1 188 ? 52.947 -10.462 8.049 1.00 13.59 ? 188 LEU D HD21 1 ATOM 13329 H HD22 . LEU D 1 188 ? 52.408 -11.854 8.543 1.00 13.59 ? 188 LEU D HD22 1 ATOM 13330 H HD23 . LEU D 1 188 ? 53.910 -11.459 8.792 1.00 13.59 ? 188 LEU D HD23 1 ATOM 13331 N N . ASN D 1 189 ? 56.369 -12.825 4.852 1.00 11.52 ? 189 ASN D N 1 ATOM 13332 C CA . ASN D 1 189 ? 57.643 -12.155 4.747 1.00 12.61 ? 189 ASN D CA 1 ATOM 13333 C C . ASN D 1 189 ? 57.443 -10.724 5.199 1.00 10.17 ? 189 ASN D C 1 ATOM 13334 O O . ASN D 1 189 ? 56.665 -10.000 4.606 1.00 13.01 ? 189 ASN D O 1 ATOM 13335 C CB . ASN D 1 189 ? 58.148 -12.212 3.316 1.00 14.72 ? 189 ASN D CB 1 ATOM 13336 C CG . ASN D 1 189 ? 58.684 -13.597 2.957 1.00 27.20 ? 189 ASN D CG 1 ATOM 13337 O OD1 . ASN D 1 189 ? 59.468 -14.189 3.715 1.00 27.25 ? 189 ASN D OD1 1 ATOM 13338 N ND2 . ASN D 1 189 ? 58.263 -14.120 1.812 1.00 37.62 ? 189 ASN D ND2 1 ATOM 13339 H H . ASN D 1 189 ? 55.815 -12.600 4.234 1.00 13.81 ? 189 ASN D H 1 ATOM 13340 H HA . ASN D 1 189 ? 58.299 -12.587 5.334 1.00 15.13 ? 189 ASN D HA 1 ATOM 13341 H HB2 . ASN D 1 189 ? 57.418 -12.004 2.712 1.00 17.65 ? 189 ASN D HB2 1 ATOM 13342 H HB3 . ASN D 1 189 ? 58.867 -11.571 3.206 1.00 17.65 ? 189 ASN D HB3 1 ATOM 13343 H HD21 . ASN D 1 189 ? 58.575 -15.006 1.534 1.00 45.13 ? 189 ASN D HD21 1 ATOM 13344 H HD22 . ASN D 1 189 ? 57.638 -13.620 1.246 1.00 45.13 ? 189 ASN D HD22 1 ATOM 13345 N N . TYR D 1 190 ? 58.100 -10.369 6.286 1.00 12.04 ? 190 TYR D N 1 ATOM 13346 C CA . TYR D 1 190 ? 57.885 -9.074 6.919 1.00 12.90 ? 190 TYR D CA 1 ATOM 13347 C C . TYR D 1 190 ? 59.157 -8.506 7.510 1.00 11.95 ? 190 TYR D C 1 ATOM 13348 O O . TYR D 1 190 ? 60.150 -9.224 7.708 1.00 13.66 ? 190 TYR D O 1 ATOM 13349 C CB . TYR D 1 190 ? 56.813 -9.189 8.031 1.00 13.13 ? 190 TYR D CB 1 ATOM 13350 C CG . TYR D 1 190 ? 57.246 -10.074 9.183 1.00 10.14 ? 190 TYR D CG 1 ATOM 13351 C CD1 . TYR D 1 190 ? 57.979 -9.557 10.235 1.00 11.00 ? 190 TYR D CD1 1 ATOM 13352 C CD2 . TYR D 1 190 ? 56.943 -11.428 9.186 1.00 14.18 ? 190 TYR D CD2 1 ATOM 13353 C CE1 . TYR D 1 190 ? 58.398 -10.382 11.277 1.00 14.39 ? 190 TYR D CE1 1 ATOM 13354 C CE2 . TYR D 1 190 ? 57.348 -12.242 10.203 1.00 14.82 ? 190 TYR D CE2 1 ATOM 13355 C CZ . TYR D 1 190 ? 58.078 -11.728 11.231 1.00 14.03 ? 190 TYR D CZ 1 ATOM 13356 O OH . TYR D 1 190 ? 58.490 -12.565 12.236 1.00 20.71 ? 190 TYR D OH 1 ATOM 13357 H H . TYR D 1 190 ? 58.683 -10.862 6.684 1.00 14.43 ? 190 TYR D H 1 ATOM 13358 H HA . TYR D 1 190 ? 57.556 -8.443 6.246 1.00 15.47 ? 190 TYR D HA 1 ATOM 13359 H HB2 . TYR D 1 190 ? 56.630 -8.304 8.385 1.00 15.74 ? 190 TYR D HB2 1 ATOM 13360 H HB3 . TYR D 1 190 ? 56.004 -9.567 7.652 1.00 15.74 ? 190 TYR D HB3 1 ATOM 13361 H HD1 . TYR D 1 190 ? 58.198 -8.653 10.244 1.00 13.19 ? 190 TYR D HD1 1 ATOM 13362 H HD2 . TYR D 1 190 ? 56.458 -11.788 8.479 1.00 17.00 ? 190 TYR D HD2 1 ATOM 13363 H HE1 . TYR D 1 190 ? 58.897 -10.038 11.983 1.00 17.26 ? 190 TYR D HE1 1 ATOM 13364 H HE2 . TYR D 1 190 ? 57.142 -13.149 10.184 1.00 17.78 ? 190 TYR D HE2 1 ATOM 13365 H HH . TYR D 1 190 ? 58.180 -12.316 12.953 1.00 24.84 ? 190 TYR D HH 1 ATOM 13366 N N . GLU D 1 191 ? 59.138 -7.198 7.780 1.00 12.65 ? 191 GLU D N 1 ATOM 13367 C CA . GLU D 1 191 ? 60.201 -6.516 8.475 1.00 11.77 ? 191 GLU D CA 1 ATOM 13368 C C . GLU D 1 191 ? 59.649 -5.678 9.614 1.00 11.80 ? 191 GLU D C 1 ATOM 13369 O O . GLU D 1 191 ? 58.845 -4.752 9.389 1.00 12.66 ? 191 GLU D O 1 ATOM 13370 C CB . GLU D 1 191 ? 60.923 -5.567 7.511 1.00 12.82 ? 191 GLU D CB 1 ATOM 13371 C CG . GLU D 1 191 ? 61.483 -6.266 6.288 1.00 18.10 ? 191 GLU D CG 1 ATOM 13372 C CD . GLU D 1 191 ? 61.999 -5.322 5.222 1.00 26.76 ? 191 GLU D CD 1 ATOM 13373 O OE1 . GLU D 1 191 ? 61.564 -4.153 5.150 1.00 19.87 ? 191 GLU D OE1 1 ATOM 13374 O OE2 . GLU D 1 191 ? 62.852 -5.777 4.423 1.00 26.74 ? 191 GLU D OE2 1 ATOM 13375 H H . GLU D 1 191 ? 58.491 -6.677 7.557 1.00 15.17 ? 191 GLU D H 1 ATOM 13376 H HA . GLU D 1 191 ? 60.843 -7.164 8.833 1.00 14.11 ? 191 GLU D HA 1 ATOM 13377 H HB2 . GLU D 1 191 ? 60.297 -4.891 7.208 1.00 15.38 ? 191 GLU D HB2 1 ATOM 13378 H HB3 . GLU D 1 191 ? 61.662 -5.147 7.979 1.00 15.38 ? 191 GLU D HB3 1 ATOM 13379 H HG2 . GLU D 1 191 ? 62.220 -6.833 6.563 1.00 21.71 ? 191 GLU D HG2 1 ATOM 13380 H HG3 . GLU D 1 191 ? 60.783 -6.807 5.890 1.00 21.71 ? 191 GLU D HG3 1 ATOM 13381 N N . ILE D 1 192 ? 60.101 -5.943 10.823 1.00 10.28 ? 192 ILE D N 1 ATOM 13382 C CA . ILE D 1 192 ? 59.758 -5.105 11.961 1.00 10.64 ? 192 ILE D CA 1 ATOM 13383 C C . ILE D 1 192 ? 60.703 -3.914 12.024 1.00 11.20 ? 192 ILE D C 1 ATOM 13384 O O . ILE D 1 192 ? 61.946 -4.088 11.933 1.00 12.87 ? 192 ILE D O 1 ATOM 13385 C CB . ILE D 1 192 ? 59.799 -5.906 13.281 1.00 9.65 ? 192 ILE D CB 1 ATOM 13386 C CG1 . ILE D 1 192 ? 58.567 -6.816 13.354 1.00 13.64 ? 192 ILE D CG1 1 ATOM 13387 C CG2 . ILE D 1 192 ? 59.898 -4.996 14.472 1.00 11.03 ? 192 ILE D CG2 1 ATOM 13388 C CD1 . ILE D 1 192 ? 58.576 -7.742 14.545 1.00 15.89 ? 192 ILE D CD1 1 ATOM 13389 H H . ILE D 1 192 ? 60.613 -6.606 11.016 1.00 12.33 ? 192 ILE D H 1 ATOM 13390 H HA . ILE D 1 192 ? 58.847 -4.764 11.842 1.00 12.75 ? 192 ILE D HA 1 ATOM 13391 H HB . ILE D 1 192 ? 60.589 -6.469 13.267 1.00 11.57 ? 192 ILE D HB 1 ATOM 13392 H HG12 . ILE D 1 192 ? 57.771 -6.264 13.412 1.00 16.35 ? 192 ILE D HG12 1 ATOM 13393 H HG13 . ILE D 1 192 ? 58.532 -7.362 12.553 1.00 16.35 ? 192 ILE D HG13 1 ATOM 13394 H HG21 . ILE D 1 192 ? 59.921 -5.529 15.271 1.00 13.22 ? 192 ILE D HG21 1 ATOM 13395 H HG22 . ILE D 1 192 ? 60.701 -4.475 14.402 1.00 13.22 ? 192 ILE D HG22 1 ATOM 13396 H HG23 . ILE D 1 192 ? 59.132 -4.417 14.487 1.00 13.22 ? 192 ILE D HG23 1 ATOM 13397 H HD11 . ILE D 1 192 ? 57.781 -8.279 14.528 1.00 19.05 ? 192 ILE D HD11 1 ATOM 13398 H HD12 . ILE D 1 192 ? 59.353 -8.304 14.497 1.00 19.05 ? 192 ILE D HD12 1 ATOM 13399 H HD13 . ILE D 1 192 ? 58.600 -7.216 15.348 1.00 19.05 ? 192 ILE D HD13 1 ATOM 13400 N N . ARG D 1 193 ? 60.139 -2.718 12.191 1.00 11.99 ? 193 ARG D N 1 ATOM 13401 C CA . ARG D 1 193 ? 60.904 -1.512 12.370 1.00 12.18 ? 193 ARG D CA 1 ATOM 13402 C C . ARG D 1 193 ? 60.414 -0.813 13.623 1.00 12.37 ? 193 ARG D C 1 ATOM 13403 O O . ARG D 1 193 ? 59.217 -0.584 13.802 1.00 14.15 ? 193 ARG D O 1 ATOM 13404 C CB . ARG D 1 193 ? 60.746 -0.599 11.151 1.00 14.45 ? 193 ARG D CB 1 ATOM 13405 C CG . ARG D 1 193 ? 61.317 -1.183 9.868 1.00 16.33 ? 193 ARG D CG 1 ATOM 13406 C CD . ARG D 1 193 ? 62.812 -1.382 9.959 1.00 20.96 ? 193 ARG D CD 1 ATOM 13407 N NE . ARG D 1 193 ? 63.359 -1.936 8.720 1.00 21.78 ? 193 ARG D NE 1 ATOM 13408 C CZ . ARG D 1 193 ? 63.736 -3.202 8.560 1.00 24.99 ? 193 ARG D CZ 1 ATOM 13409 N NH1 . ARG D 1 193 ? 63.647 -4.083 9.558 1.00 21.48 ? 193 ARG D NH1 1 ATOM 13410 N NH2 . ARG D 1 193 ? 64.232 -3.596 7.389 1.00 28.01 ? 193 ARG D NH2 1 ATOM 13411 H H . ARG D 1 193 ? 59.289 -2.589 12.202 1.00 14.38 ? 193 ARG D H 1 ATOM 13412 H HA . ARG D 1 193 ? 61.852 -1.733 12.480 1.00 14.60 ? 193 ARG D HA 1 ATOM 13413 H HB2 . ARG D 1 193 ? 59.802 -0.432 11.006 1.00 17.33 ? 193 ARG D HB2 1 ATOM 13414 H HB3 . ARG D 1 193 ? 61.205 0.238 11.326 1.00 17.33 ? 193 ARG D HB3 1 ATOM 13415 H HG2 . ARG D 1 193 ? 60.907 -2.046 9.700 1.00 19.59 ? 193 ARG D HG2 1 ATOM 13416 H HG3 . ARG D 1 193 ? 61.136 -0.577 9.133 1.00 19.59 ? 193 ARG D HG3 1 ATOM 13417 H HD2 . ARG D 1 193 ? 63.238 -0.526 10.123 1.00 25.14 ? 193 ARG D HD2 1 ATOM 13418 H HD3 . ARG D 1 193 ? 63.009 -1.999 10.680 1.00 25.14 ? 193 ARG D HD3 1 ATOM 13419 H HE . ARG D 1 193 ? 63.453 -1.338 7.962 1.00 26.12 ? 193 ARG D HE 1 ATOM 13420 H HH11 . ARG D 1 193 ? 63.332 -3.839 10.320 1.00 25.77 ? 193 ARG D HH11 1 ATOM 13421 H HH12 . ARG D 1 193 ? 63.897 -4.897 9.436 1.00 25.77 ? 193 ARG D HH12 1 ATOM 13422 H HH21 . ARG D 1 193 ? 64.295 -3.036 6.739 1.00 33.60 ? 193 ARG D HH21 1 ATOM 13423 H HH22 . ARG D 1 193 ? 64.477 -4.412 7.278 1.00 33.60 ? 193 ARG D HH22 1 ATOM 13424 N N . GLY D 1 194 ? 61.308 -0.514 14.537 1.00 12.97 ? 194 GLY D N 1 ATOM 13425 C CA . GLY D 1 194 ? 60.907 0.097 15.774 1.00 12.41 ? 194 GLY D CA 1 ATOM 13426 C C . GLY D 1 194 ? 60.315 -0.920 16.730 1.00 10.60 ? 194 GLY D C 1 ATOM 13427 O O . GLY D 1 194 ? 60.660 -2.098 16.745 1.00 13.14 ? 194 GLY D O 1 ATOM 13428 H H . GLY D 1 194 ? 62.153 -0.655 14.465 1.00 15.55 ? 194 GLY D H 1 ATOM 13429 H HA2 . GLY D 1 194 ? 61.675 0.511 16.197 1.00 14.88 ? 194 GLY D HA2 1 ATOM 13430 H HA3 . GLY D 1 194 ? 60.242 0.781 15.598 1.00 14.88 ? 194 GLY D HA3 1 ATOM 13431 N N . TYR D 1 195 ? 59.440 -0.393 17.575 1.00 10.60 ? 195 TYR D N 1 ATOM 13432 C CA . TYR D 1 195 ? 58.869 -1.163 18.680 1.00 10.42 ? 195 TYR D CA 1 ATOM 13433 C C . TYR D 1 195 ? 57.607 -1.916 18.268 1.00 8.06 ? 195 TYR D C 1 ATOM 13434 O O . TYR D 1 195 ? 56.503 -1.390 18.360 1.00 9.49 ? 195 TYR D O 1 ATOM 13435 C CB . TYR D 1 195 ? 58.576 -0.214 19.858 1.00 9.51 ? 195 TYR D CB 1 ATOM 13436 C CG . TYR D 1 195 ? 58.204 -0.854 21.183 1.00 8.04 ? 195 TYR D CG 1 ATOM 13437 C CD1 . TYR D 1 195 ? 58.721 -2.092 21.561 1.00 11.70 ? 195 TYR D CD1 1 ATOM 13438 C CD2 . TYR D 1 195 ? 57.417 -0.172 22.101 1.00 9.64 ? 195 TYR D CD2 1 ATOM 13439 C CE1 . TYR D 1 195 ? 58.382 -2.639 22.799 1.00 8.50 ? 195 TYR D CE1 1 ATOM 13440 C CE2 . TYR D 1 195 ? 57.116 -0.701 23.320 1.00 10.02 ? 195 TYR D CE2 1 ATOM 13441 C CZ . TYR D 1 195 ? 57.593 -1.924 23.663 1.00 8.79 ? 195 TYR D CZ 1 ATOM 13442 O OH . TYR D 1 195 ? 57.285 -2.458 24.888 1.00 10.15 ? 195 TYR D OH 1 ATOM 13443 H H . TYR D 1 195 ? 59.154 0.417 17.531 1.00 12.71 ? 195 TYR D H 1 ATOM 13444 H HA . TYR D 1 195 ? 59.529 -1.823 18.981 1.00 12.49 ? 195 TYR D HA 1 ATOM 13445 H HB2 . TYR D 1 195 ? 59.367 0.326 20.014 1.00 11.40 ? 195 TYR D HB2 1 ATOM 13446 H HB3 . TYR D 1 195 ? 57.840 0.364 19.603 1.00 11.40 ? 195 TYR D HB3 1 ATOM 13447 H HD1 . TYR D 1 195 ? 59.255 -2.572 20.970 1.00 14.03 ? 195 TYR D HD1 1 ATOM 13448 H HD2 . TYR D 1 195 ? 57.089 0.670 21.879 1.00 11.56 ? 195 TYR D HD2 1 ATOM 13449 H HE1 . TYR D 1 195 ? 58.713 -3.471 23.049 1.00 10.19 ? 195 TYR D HE1 1 ATOM 13450 H HE2 . TYR D 1 195 ? 56.571 -0.231 23.910 1.00 12.02 ? 195 TYR D HE2 1 ATOM 13451 H HH . TYR D 1 195 ? 57.972 -2.596 25.314 1.00 12.17 ? 195 TYR D HH 1 ATOM 13452 N N . VAL D 1 196 ? 57.789 -3.152 17.816 1.00 8.66 ? 196 VAL D N 1 ATOM 13453 C CA . VAL D 1 196 ? 56.700 -4.045 17.492 1.00 9.02 ? 196 VAL D CA 1 ATOM 13454 C C . VAL D 1 196 ? 57.129 -5.390 18.044 1.00 10.22 ? 196 VAL D C 1 ATOM 13455 O O . VAL D 1 196 ? 58.270 -5.820 17.829 1.00 11.68 ? 196 VAL D O 1 ATOM 13456 C CB . VAL D 1 196 ? 56.478 -4.194 15.980 1.00 8.63 ? 196 VAL D CB 1 ATOM 13457 C CG1 . VAL D 1 196 ? 55.206 -5.023 15.715 1.00 10.38 ? 196 VAL D CG1 1 ATOM 13458 C CG2 . VAL D 1 196 ? 56.355 -2.812 15.301 1.00 11.14 ? 196 VAL D CG2 1 ATOM 13459 H H . VAL D 1 196 ? 58.565 -3.501 17.687 1.00 10.39 ? 196 VAL D H 1 ATOM 13460 H HA . VAL D 1 196 ? 55.870 -3.756 17.925 1.00 10.82 ? 196 VAL D HA 1 ATOM 13461 H HB . VAL D 1 196 ? 57.241 -4.665 15.585 1.00 10.34 ? 196 VAL D HB 1 ATOM 13462 H HG11 . VAL D 1 196 ? 55.081 -5.108 14.767 1.00 12.44 ? 196 VAL D HG11 1 ATOM 13463 H HG12 . VAL D 1 196 ? 55.312 -5.891 16.111 1.00 12.44 ? 196 VAL D HG12 1 ATOM 13464 H HG13 . VAL D 1 196 ? 54.454 -4.574 16.107 1.00 12.44 ? 196 VAL D HG13 1 ATOM 13465 H HG21 . VAL D 1 196 ? 56.218 -2.938 14.359 1.00 13.35 ? 196 VAL D HG21 1 ATOM 13466 H HG22 . VAL D 1 196 ? 55.610 -2.343 15.681 1.00 13.35 ? 196 VAL D HG22 1 ATOM 13467 H HG23 . VAL D 1 196 ? 57.165 -2.318 15.450 1.00 13.35 ? 196 VAL D HG23 1 ATOM 13468 N N . ILE D 1 197 ? 56.243 -6.033 18.802 1.00 8.42 ? 197 ILE D N 1 ATOM 13469 C CA . ILE D 1 197 ? 56.552 -7.273 19.512 1.00 8.73 ? 197 ILE D CA 1 ATOM 13470 C C . ILE D 1 197 ? 55.586 -8.362 19.033 1.00 8.64 ? 197 ILE D C 1 ATOM 13471 O O . ILE D 1 197 ? 54.387 -8.131 18.913 1.00 9.35 ? 197 ILE D O 1 ATOM 13472 C CB . ILE D 1 197 ? 56.358 -7.061 21.030 1.00 9.02 ? 197 ILE D CB 1 ATOM 13473 C CG1 . ILE D 1 197 ? 57.229 -5.925 21.571 1.00 9.38 ? 197 ILE D CG1 1 ATOM 13474 C CG2 . ILE D 1 197 ? 56.644 -8.366 21.801 1.00 11.33 ? 197 ILE D CG2 1 ATOM 13475 C CD1 . ILE D 1 197 ? 58.736 -6.159 21.431 1.00 11.33 ? 197 ILE D CD1 1 ATOM 13476 H H . ILE D 1 197 ? 55.436 -5.762 18.924 1.00 10.10 ? 197 ILE D H 1 ATOM 13477 H HA . ILE D 1 197 ? 57.475 -7.551 19.334 1.00 10.47 ? 197 ILE D HA 1 ATOM 13478 H HB . ILE D 1 197 ? 55.430 -6.822 21.181 1.00 10.81 ? 197 ILE D HB 1 ATOM 13479 H HG12 . ILE D 1 197 ? 57.012 -5.111 21.091 1.00 11.25 ? 197 ILE D HG12 1 ATOM 13480 H HG13 . ILE D 1 197 ? 57.036 -5.809 22.515 1.00 11.25 ? 197 ILE D HG13 1 ATOM 13481 H HG21 . ILE D 1 197 ? 56.517 -8.208 22.739 1.00 13.58 ? 197 ILE D HG21 1 ATOM 13482 H HG22 . ILE D 1 197 ? 56.039 -9.046 21.497 1.00 13.58 ? 197 ILE D HG22 1 ATOM 13483 H HG23 . ILE D 1 197 ? 57.550 -8.635 21.633 1.00 13.58 ? 197 ILE D HG23 1 ATOM 13484 H HD11 . ILE D 1 197 ? 59.204 -5.403 21.793 1.00 13.58 ? 197 ILE D HD11 1 ATOM 13485 H HD12 . ILE D 1 197 ? 58.974 -6.954 21.913 1.00 13.58 ? 197 ILE D HD12 1 ATOM 13486 H HD13 . ILE D 1 197 ? 58.950 -6.262 20.501 1.00 13.58 ? 197 ILE D HD13 1 ATOM 13487 N N . ILE D 1 198 ? 56.095 -9.546 18.740 1.00 9.50 ? 198 ILE D N 1 ATOM 13488 C CA . ILE D 1 198 ? 55.255 -10.672 18.389 1.00 8.00 ? 198 ILE D CA 1 ATOM 13489 C C . ILE D 1 198 ? 54.887 -11.433 19.665 1.00 10.25 ? 198 ILE D C 1 ATOM 13490 O O . ILE D 1 198 ? 55.767 -11.798 20.448 1.00 12.00 ? 198 ILE D O 1 ATOM 13491 C CB . ILE D 1 198 ? 55.966 -11.589 17.389 1.00 9.25 ? 198 ILE D CB 1 ATOM 13492 C CG1 . ILE D 1 198 ? 56.219 -10.816 16.097 1.00 10.15 ? 198 ILE D CG1 1 ATOM 13493 C CG2 . ILE D 1 198 ? 55.114 -12.831 17.126 1.00 10.50 ? 198 ILE D CG2 1 ATOM 13494 C CD1 . ILE D 1 198 ? 57.136 -11.573 15.123 1.00 12.79 ? 198 ILE D CD1 1 ATOM 13495 H H . ILE D 1 198 ? 56.936 -9.724 18.738 1.00 11.39 ? 198 ILE D H 1 ATOM 13496 H HA . ILE D 1 198 ? 54.429 -10.345 17.975 1.00 9.59 ? 198 ILE D HA 1 ATOM 13497 H HB . ILE D 1 198 ? 56.817 -11.864 17.763 1.00 11.09 ? 198 ILE D HB 1 ATOM 13498 H HG12 . ILE D 1 198 ? 55.372 -10.659 15.651 1.00 12.16 ? 198 ILE D HG12 1 ATOM 13499 H HG13 . ILE D 1 198 ? 56.642 -9.970 16.312 1.00 12.16 ? 198 ILE D HG13 1 ATOM 13500 H HG21 . ILE D 1 198 ? 55.571 -13.395 16.499 1.00 12.59 ? 198 ILE D HG21 1 ATOM 13501 H HG22 . ILE D 1 198 ? 54.983 -13.299 17.954 1.00 12.59 ? 198 ILE D HG22 1 ATOM 13502 H HG23 . ILE D 1 198 ? 54.268 -12.558 16.766 1.00 12.59 ? 198 ILE D HG23 1 ATOM 13503 H HD11 . ILE D 1 198 ? 57.259 -11.042 14.333 1.00 15.34 ? 198 ILE D HD11 1 ATOM 13504 H HD12 . ILE D 1 198 ? 57.982 -11.729 15.549 1.00 15.34 ? 198 ILE D HD12 1 ATOM 13505 H HD13 . ILE D 1 198 ? 56.725 -12.410 14.895 1.00 15.34 ? 198 ILE D HD13 1 ATOM 13506 N N . LYS D 1 199 ? 53.577 -11.613 19.885 1.00 9.25 ? 199 LYS D N 1 ATOM 13507 C CA . LYS D 1 199 ? 53.061 -12.332 21.038 1.00 9.10 ? 199 LYS D CA 1 ATOM 13508 C C . LYS D 1 199 ? 52.010 -13.330 20.605 1.00 8.66 ? 199 LYS D C 1 ATOM 13509 O O . LYS D 1 199 ? 51.414 -13.196 19.555 1.00 8.88 ? 199 LYS D O 1 ATOM 13510 C CB . LYS D 1 199 ? 52.418 -11.359 22.058 1.00 9.66 ? 199 LYS D CB 1 ATOM 13511 C CG . LYS D 1 199 ? 53.442 -10.544 22.822 1.00 10.29 ? 199 LYS D CG 1 ATOM 13512 C CD . LYS D 1 199 ? 54.212 -11.439 23.769 1.00 17.16 ? 199 LYS D CD 1 ATOM 13513 C CE . LYS D 1 199 ? 55.109 -10.675 24.721 1.00 18.10 ? 199 LYS D CE 1 ATOM 13514 N NZ . LYS D 1 199 ? 55.778 -11.675 25.593 1.00 30.54 ? 199 LYS D NZ 1 ATOM 13515 H H . LYS D 1 199 ? 52.960 -11.318 19.363 1.00 11.09 ? 199 LYS D H 1 ATOM 13516 H HA . LYS D 1 199 ? 53.790 -12.815 21.480 1.00 10.91 ? 199 LYS D HA 1 ATOM 13517 H HB2 . LYS D 1 199 ? 51.838 -10.742 21.584 1.00 11.58 ? 199 LYS D HB2 1 ATOM 13518 H HB3 . LYS D 1 199 ? 51.903 -11.870 22.701 1.00 11.58 ? 199 LYS D HB3 1 ATOM 13519 H HG2 . LYS D 1 199 ? 54.068 -10.143 22.199 1.00 12.34 ? 199 LYS D HG2 1 ATOM 13520 H HG3 . LYS D 1 199 ? 52.992 -9.860 23.341 1.00 12.34 ? 199 LYS D HG3 1 ATOM 13521 H HD2 . LYS D 1 199 ? 53.582 -11.951 24.299 1.00 20.58 ? 199 LYS D HD2 1 ATOM 13522 H HD3 . LYS D 1 199 ? 54.771 -12.038 23.250 1.00 20.58 ? 199 LYS D HD3 1 ATOM 13523 H HE2 . LYS D 1 199 ? 55.784 -10.186 24.225 1.00 21.71 ? 199 LYS D HE2 1 ATOM 13524 H HE3 . LYS D 1 199 ? 54.579 -10.078 25.272 1.00 21.71 ? 199 LYS D HE3 1 ATOM 13525 H HZ1 . LYS D 1 199 ? 56.359 -11.232 26.215 1.00 36.64 ? 199 LYS D HZ1 1 ATOM 13526 H HZ2 . LYS D 1 199 ? 55.121 -12.175 26.082 1.00 36.64 ? 199 LYS D HZ2 1 ATOM 13527 H HZ3 . LYS D 1 199 ? 56.297 -12.281 25.058 1.00 36.64 ? 199 LYS D HZ3 1 ATOM 13528 N N . PRO D 1 200 ? 51.675 -14.282 21.487 1.00 10.42 ? 200 PRO D N 1 ATOM 13529 C CA . PRO D 1 200 ? 50.511 -15.129 21.209 1.00 8.41 ? 200 PRO D CA 1 ATOM 13530 C C . PRO D 1 200 ? 49.242 -14.335 21.153 1.00 9.27 ? 200 PRO D C 1 ATOM 13531 O O . PRO D 1 200 ? 49.133 -13.362 21.907 1.00 10.08 ? 200 PRO D O 1 ATOM 13532 C CB . PRO D 1 200 ? 50.478 -16.072 22.414 1.00 11.14 ? 200 PRO D CB 1 ATOM 13533 C CG . PRO D 1 200 ? 51.922 -16.106 22.910 1.00 15.61 ? 200 PRO D CG 1 ATOM 13534 C CD . PRO D 1 200 ? 52.405 -14.672 22.698 1.00 13.63 ? 200 PRO D CD 1 ATOM 13535 H HA . PRO D 1 200 ? 50.632 -15.640 20.381 1.00 10.07 ? 200 PRO D HA 1 ATOM 13536 H HB2 . PRO D 1 200 ? 49.888 -15.714 23.096 1.00 13.36 ? 200 PRO D HB2 1 ATOM 13537 H HB3 . PRO D 1 200 ? 50.188 -16.954 22.134 1.00 13.36 ? 200 PRO D HB3 1 ATOM 13538 H HG2 . PRO D 1 200 ? 51.945 -16.345 23.850 1.00 18.72 ? 200 PRO D HG2 1 ATOM 13539 H HG3 . PRO D 1 200 ? 52.441 -16.730 22.379 1.00 18.72 ? 200 PRO D HG3 1 ATOM 13540 H HD2 . PRO D 1 200 ? 52.149 -14.111 23.446 1.00 16.34 ? 200 PRO D HD2 1 ATOM 13541 H HD3 . PRO D 1 200 ? 53.362 -14.652 22.542 1.00 16.34 ? 200 PRO D HD3 1 ATOM 13542 N N . LEU D 1 201 ? 48.306 -14.778 20.335 1.00 10.70 ? 201 LEU D N 1 ATOM 13543 C CA . LEU D 1 201 ? 46.954 -14.252 20.271 1.00 10.65 ? 201 LEU D CA 1 ATOM 13544 C C . LEU D 1 201 ? 46.166 -14.806 21.433 1.00 12.25 ? 201 LEU D C 1 ATOM 13545 O O . LEU D 1 201 ? 45.930 -16.028 21.507 1.00 16.50 ? 201 LEU D O 1 ATOM 13546 C CB . LEU D 1 201 ? 46.335 -14.724 18.964 1.00 12.73 ? 201 LEU D CB 1 ATOM 13547 C CG . LEU D 1 201 ? 44.850 -14.494 18.762 1.00 14.39 ? 201 LEU D CG 1 ATOM 13548 C CD1 . LEU D 1 201 ? 44.569 -13.050 18.786 1.00 12.68 ? 201 LEU D CD1 1 ATOM 13549 C CD2 . LEU D 1 201 ? 44.375 -15.085 17.415 1.00 19.02 ? 201 LEU D CD2 1 ATOM 13550 H H . LEU D 1 201 ? 48.438 -15.418 19.777 1.00 12.83 ? 201 LEU D H 1 ATOM 13551 H HA . LEU D 1 201 ? 46.957 -13.273 20.305 1.00 12.77 ? 201 LEU D HA 1 ATOM 13552 H HB2 . LEU D 1 201 ? 46.792 -14.273 18.237 1.00 15.26 ? 201 LEU D HB2 1 ATOM 13553 H HB3 . LEU D 1 201 ? 46.486 -15.679 18.889 1.00 15.26 ? 201 LEU D HB3 1 ATOM 13554 H HG . LEU D 1 201 ? 44.353 -14.919 19.479 1.00 17.25 ? 201 LEU D HG 1 ATOM 13555 H HD11 . LEU D 1 201 ? 43.627 -12.913 18.658 1.00 15.20 ? 201 LEU D HD11 1 ATOM 13556 H HD12 . LEU D 1 201 ? 44.839 -12.694 19.635 1.00 15.20 ? 201 LEU D HD12 1 ATOM 13557 H HD13 . LEU D 1 201 ? 45.061 -12.625 18.080 1.00 15.20 ? 201 LEU D HD13 1 ATOM 13558 H HD21 . LEU D 1 201 ? 43.433 -14.924 17.317 1.00 22.81 ? 201 LEU D HD21 1 ATOM 13559 H HD22 . LEU D 1 201 ? 44.856 -14.660 16.701 1.00 22.81 ? 201 LEU D HD22 1 ATOM 13560 H HD23 . LEU D 1 201 ? 44.547 -16.029 17.410 1.00 22.81 ? 201 LEU D HD23 1 ATOM 13561 N N . VAL D 1 202 ? 45.766 -13.935 22.357 1.00 8.96 ? 202 VAL D N 1 ATOM 13562 C CA . VAL D 1 202 ? 45.032 -14.433 23.526 1.00 9.92 ? 202 VAL D CA 1 ATOM 13563 C C . VAL D 1 202 ? 43.571 -13.990 23.570 1.00 11.64 ? 202 VAL D C 1 ATOM 13564 O O . VAL D 1 202 ? 42.815 -14.432 24.461 1.00 12.18 ? 202 VAL D O 1 ATOM 13565 C CB . VAL D 1 202 ? 45.685 -13.994 24.842 1.00 11.34 ? 202 VAL D CB 1 ATOM 13566 C CG1 . VAL D 1 202 ? 47.142 -14.454 24.935 1.00 15.87 ? 202 VAL D CG1 1 ATOM 13567 C CG2 . VAL D 1 202 ? 45.570 -12.478 25.032 1.00 10.39 ? 202 VAL D CG2 1 ATOM 13568 H H . VAL D 1 202 ? 45.898 -13.086 22.338 1.00 10.75 ? 202 VAL D H 1 ATOM 13569 H HA . VAL D 1 202 ? 45.042 -15.413 23.504 1.00 11.89 ? 202 VAL D HA 1 ATOM 13570 H HB . VAL D 1 202 ? 45.200 -14.417 25.581 1.00 13.59 ? 202 VAL D HB 1 ATOM 13571 H HG11 . VAL D 1 202 ? 47.509 -14.159 25.771 1.00 19.03 ? 202 VAL D HG11 1 ATOM 13572 H HG12 . VAL D 1 202 ? 47.170 -15.412 24.884 1.00 19.03 ? 202 VAL D HG12 1 ATOM 13573 H HG13 . VAL D 1 202 ? 47.636 -14.073 24.206 1.00 19.03 ? 202 VAL D HG13 1 ATOM 13574 H HG21 . VAL D 1 202 ? 45.987 -12.235 25.862 1.00 12.46 ? 202 VAL D HG21 1 ATOM 13575 H HG22 . VAL D 1 202 ? 46.011 -12.037 24.302 1.00 12.46 ? 202 VAL D HG22 1 ATOM 13576 H HG23 . VAL D 1 202 ? 44.641 -12.235 25.048 1.00 12.46 ? 202 VAL D HG23 1 ATOM 13577 N N . TRP D 1 203 ? 43.144 -13.189 22.606 1.00 10.20 ? 203 TRP D N 1 ATOM 13578 C CA . TRP D 1 203 ? 41.829 -12.601 22.609 1.00 10.50 ? 203 TRP D CA 1 ATOM 13579 C C . TRP D 1 203 ? 40.888 -13.164 21.564 1.00 14.14 ? 203 TRP D C 1 ATOM 13580 O O . TRP D 1 203 ? 39.745 -12.718 21.473 1.00 23.51 ? 203 TRP D O 1 ATOM 13581 C CB . TRP D 1 203 ? 41.928 -11.093 22.453 1.00 11.41 ? 203 TRP D CB 1 ATOM 13582 C CG . TRP D 1 203 ? 42.917 -10.591 21.467 1.00 8.30 ? 203 TRP D CG 1 ATOM 13583 C CD1 . TRP D 1 203 ? 44.212 -10.235 21.713 1.00 8.53 ? 203 TRP D CD1 1 ATOM 13584 C CD2 . TRP D 1 203 ? 42.695 -10.323 20.066 1.00 7.46 ? 203 TRP D CD2 1 ATOM 13585 N NE1 . TRP D 1 203 ? 44.809 -9.771 20.568 1.00 9.18 ? 203 TRP D NE1 1 ATOM 13586 C CE2 . TRP D 1 203 ? 43.885 -9.782 19.551 1.00 8.03 ? 203 TRP D CE2 1 ATOM 13587 C CE3 . TRP D 1 203 ? 41.582 -10.431 19.225 1.00 9.78 ? 203 TRP D CE3 1 ATOM 13588 C CZ2 . TRP D 1 203 ? 44.021 -9.419 18.208 1.00 7.58 ? 203 TRP D CZ2 1 ATOM 13589 C CZ3 . TRP D 1 203 ? 41.738 -10.057 17.885 1.00 9.85 ? 203 TRP D CZ3 1 ATOM 13590 C CH2 . TRP D 1 203 ? 42.927 -9.563 17.420 1.00 8.57 ? 203 TRP D CH2 1 ATOM 13591 H H . TRP D 1 203 ? 43.616 -12.969 21.922 1.00 12.23 ? 203 TRP D H 1 ATOM 13592 H HA . TRP D 1 203 ? 41.422 -12.774 23.484 1.00 12.59 ? 203 TRP D HA 1 ATOM 13593 H HB2 . TRP D 1 203 ? 41.059 -10.758 22.182 1.00 13.68 ? 203 TRP D HB2 1 ATOM 13594 H HB3 . TRP D 1 203 ? 42.164 -10.714 23.314 1.00 13.68 ? 203 TRP D HB3 1 ATOM 13595 H HD1 . TRP D 1 203 ? 44.634 -10.306 22.539 1.00 10.22 ? 203 TRP D HD1 1 ATOM 13596 H HE1 . TRP D 1 203 ? 45.622 -9.499 20.503 1.00 11.00 ? 203 TRP D HE1 1 ATOM 13597 H HE3 . TRP D 1 203 ? 40.772 -10.759 19.540 1.00 11.72 ? 203 TRP D HE3 1 ATOM 13598 H HZ2 . TRP D 1 203 ? 44.825 -9.095 17.871 1.00 9.09 ? 203 TRP D HZ2 1 ATOM 13599 H HZ3 . TRP D 1 203 ? 41.017 -10.131 17.303 1.00 11.81 ? 203 TRP D HZ3 1 ATOM 13600 H HH2 . TRP D 1 203 ? 42.992 -9.328 16.522 1.00 10.27 ? 203 TRP D HH2 1 ATOM 13601 N N . VAL D 1 204 ? 41.387 -14.058 20.739 1.00 17.71 ? 204 VAL D N 1 ATOM 13602 C CA . VAL D 1 204 ? 40.519 -15.003 20.042 1.00 39.27 ? 204 VAL D CA 1 ATOM 13603 C C . VAL D 1 204 ? 40.765 -16.361 20.681 1.00 59.94 ? 204 VAL D C 1 ATOM 13604 O O . VAL D 1 204 ? 39.810 -17.044 21.066 1.00 61.91 ? 204 VAL D O 1 ATOM 13605 C CB . VAL D 1 204 ? 40.849 -15.097 18.536 1.00 33.10 ? 204 VAL D CB 1 ATOM 13606 C CG1 . VAL D 1 204 ? 39.986 -16.162 17.837 1.00 44.24 ? 204 VAL D CG1 1 ATOM 13607 C CG2 . VAL D 1 204 ? 40.644 -13.792 17.903 1.00 23.62 ? 204 VAL D CG2 1 ATOM 13608 O OXT . VAL D 1 204 ? 41.934 -16.775 20.834 1.00 49.84 ? 204 VAL D OXT 1 ATOM 13609 H H . VAL D 1 204 ? 42.223 -14.145 20.558 1.00 21.24 ? 204 VAL D H 1 ATOM 13610 H HA . VAL D 1 204 ? 39.578 -14.754 20.157 1.00 47.12 ? 204 VAL D HA 1 ATOM 13611 H HB . VAL D 1 204 ? 41.791 -15.346 18.427 1.00 39.71 ? 204 VAL D HB 1 ATOM 13612 H HG11 . VAL D 1 204 ? 40.219 -16.190 16.907 1.00 53.08 ? 204 VAL D HG11 1 ATOM 13613 H HG12 . VAL D 1 204 ? 40.154 -17.015 18.244 1.00 53.08 ? 204 VAL D HG12 1 ATOM 13614 H HG13 . VAL D 1 204 ? 39.060 -15.927 17.937 1.00 53.08 ? 204 VAL D HG13 1 ATOM 13615 H HG21 . VAL D 1 204 ? 40.852 -13.862 16.969 1.00 28.33 ? 204 VAL D HG21 1 ATOM 13616 H HG22 . VAL D 1 204 ? 39.727 -13.531 18.017 1.00 28.33 ? 204 VAL D HG22 1 ATOM 13617 H HG23 . VAL D 1 204 ? 41.222 -13.149 18.320 1.00 28.33 ? 204 VAL D HG23 1 ATOM 13618 N N . HIS E 1 1 ? 52.173 -14.120 57.068 1.00 30.75 ? 1 HIS E N 1 ATOM 13619 C CA . HIS E 1 1 ? 51.592 -15.316 57.693 1.00 35.31 ? 1 HIS E CA 1 ATOM 13620 C C . HIS E 1 1 ? 50.263 -15.070 58.408 1.00 25.83 ? 1 HIS E C 1 ATOM 13621 O O . HIS E 1 1 ? 50.046 -15.545 59.522 1.00 23.47 ? 1 HIS E O 1 ATOM 13622 C CB . HIS E 1 1 ? 52.627 -15.915 58.629 1.00 47.27 ? 1 HIS E CB 1 ATOM 13623 C CG . HIS E 1 1 ? 53.842 -16.383 57.901 1.00 57.53 ? 1 HIS E CG 1 ATOM 13624 N ND1 . HIS E 1 1 ? 53.897 -17.606 57.267 1.00 62.60 ? 1 HIS E ND1 1 ATOM 13625 C CD2 . HIS E 1 1 ? 55.022 -15.768 57.643 1.00 70.58 ? 1 HIS E CD2 1 ATOM 13626 C CE1 . HIS E 1 1 ? 55.076 -17.741 56.683 1.00 78.08 ? 1 HIS E CE1 1 ATOM 13627 N NE2 . HIS E 1 1 ? 55.777 -16.641 56.896 1.00 81.22 ? 1 HIS E NE2 1 ATOM 13628 H H1 . HIS E 1 1 ? 52.888 -14.381 56.483 1.00 36.89 ? 1 HIS E H1 1 ATOM 13629 H H2 . HIS E 1 1 ? 51.497 -13.662 56.564 1.00 36.89 ? 1 HIS E H2 1 ATOM 13630 H H3 . HIS E 1 1 ? 52.515 -13.537 57.750 1.00 36.89 ? 1 HIS E H3 1 ATOM 13631 H HA . HIS E 1 1 ? 51.422 -15.976 56.989 1.00 42.36 ? 1 HIS E HA 1 ATOM 13632 H HB2 . HIS E 1 1 ? 52.900 -15.243 59.272 1.00 56.71 ? 1 HIS E HB2 1 ATOM 13633 H HB3 . HIS E 1 1 ? 52.238 -16.677 59.087 1.00 56.71 ? 1 HIS E HB3 1 ATOM 13634 H HD2 . HIS E 1 1 ? 55.281 -14.924 57.936 1.00 84.68 ? 1 HIS E HD2 1 ATOM 13635 H HE1 . HIS E 1 1 ? 55.363 -18.485 56.203 1.00 93.68 ? 1 HIS E HE1 1 ATOM 13636 H HE2 . HIS E 1 1 ? 56.576 -16.495 56.614 1.00 97.45 ? 1 HIS E HE2 1 ATOM 13637 N N . THR E 1 2 ? 49.365 -14.340 57.747 1.00 15.03 ? 2 THR E N 1 ATOM 13638 C CA . THR E 1 2 ? 47.952 -14.399 58.065 1.00 11.32 ? 2 THR E CA 1 ATOM 13639 C C . THR E 1 2 ? 47.184 -14.930 56.867 1.00 9.75 ? 2 THR E C 1 ATOM 13640 O O . THR E 1 2 ? 47.421 -14.551 55.727 1.00 10.30 ? 2 THR E O 1 ATOM 13641 C CB . THR E 1 2 ? 47.397 -13.039 58.411 1.00 13.55 ? 2 THR E CB 1 ATOM 13642 O OG1 . THR E 1 2 ? 48.162 -12.500 59.513 1.00 21.35 ? 2 THR E OG1 1 ATOM 13643 C CG2 . THR E 1 2 ? 45.914 -13.101 58.775 1.00 15.97 ? 2 THR E CG2 1 ATOM 13644 H H . THR E 1 2 ? 49.557 -13.800 57.105 1.00 18.02 ? 2 THR E H 1 ATOM 13645 H HA . THR E 1 2 ? 47.808 -15.001 58.824 1.00 13.57 ? 2 THR E HA 1 ATOM 13646 H HB . THR E 1 2 ? 47.493 -12.453 57.644 1.00 16.25 ? 2 THR E HB 1 ATOM 13647 H HG1 . THR E 1 2 ? 48.951 -12.431 59.299 1.00 25.60 ? 2 THR E HG1 1 ATOM 13648 H HG21 . THR E 1 2 ? 45.592 -12.223 58.989 1.00 19.15 ? 2 THR E HG21 1 ATOM 13649 H HG22 . THR E 1 2 ? 45.410 -13.447 58.034 1.00 19.15 ? 2 THR E HG22 1 ATOM 13650 H HG23 . THR E 1 2 ? 45.787 -13.675 59.534 1.00 19.15 ? 2 THR E HG23 1 ATOM 13651 N N . ASP E 1 3 ? 46.281 -15.847 57.137 1.00 9.37 ? 3 ASP E N 1 ATOM 13652 C CA . ASP E 1 3 ? 45.400 -16.399 56.106 1.00 7.49 ? 3 ASP E CA 1 ATOM 13653 C C . ASP E 1 3 ? 44.134 -15.585 55.998 1.00 7.72 ? 3 ASP E C 1 ATOM 13654 O O . ASP E 1 3 ? 43.268 -15.608 56.901 1.00 9.32 ? 3 ASP E O 1 ATOM 13655 C CB . ASP E 1 3 ? 45.067 -17.858 56.465 1.00 8.89 ? 3 ASP E CB 1 ATOM 13656 C CG . ASP E 1 3 ? 44.132 -18.524 55.481 1.00 11.79 ? 3 ASP E CG 1 ATOM 13657 O OD1 . ASP E 1 3 ? 43.871 -17.953 54.416 1.00 9.02 ? 3 ASP E OD1 1 ATOM 13658 O OD2 . ASP E 1 3 ? 43.661 -19.648 55.782 1.00 11.19 ? 3 ASP E OD2 1 ATOM 13659 H H . ASP E 1 3 ? 46.148 -16.177 57.920 1.00 11.23 ? 3 ASP E H 1 ATOM 13660 H HA . ASP E 1 3 ? 45.857 -16.385 55.239 1.00 8.98 ? 3 ASP E HA 1 ATOM 13661 H HB2 . ASP E 1 3 ? 45.890 -18.371 56.487 1.00 10.66 ? 3 ASP E HB2 1 ATOM 13662 H HB3 . ASP E 1 3 ? 44.643 -17.878 57.338 1.00 10.66 ? 3 ASP E HB3 1 ATOM 13663 N N . LEU E 1 4 ? 44.033 -14.817 54.913 1.00 6.66 ? 4 LEU E N 1 ATOM 13664 C CA . LEU E 1 4 ? 42.853 -13.976 54.685 1.00 6.71 ? 4 LEU E CA 1 ATOM 13665 C C . LEU E 1 4 ? 41.834 -14.615 53.739 1.00 7.83 ? 4 LEU E C 1 ATOM 13666 O O . LEU E 1 4 ? 40.970 -13.935 53.220 1.00 7.01 ? 4 LEU E O 1 ATOM 13667 C CB . LEU E 1 4 ? 43.296 -12.614 54.139 1.00 7.70 ? 4 LEU E CB 1 ATOM 13668 C CG . LEU E 1 4 ? 44.036 -11.784 55.195 1.00 9.31 ? 4 LEU E CG 1 ATOM 13669 C CD1 . LEU E 1 4 ? 44.500 -10.483 54.542 1.00 11.37 ? 4 LEU E CD1 1 ATOM 13670 C CD2 . LEU E 1 4 ? 43.282 -11.474 56.449 1.00 10.42 ? 4 LEU E CD2 1 ATOM 13671 H H . LEU E 1 4 ? 44.629 -14.765 54.295 1.00 7.98 ? 4 LEU E H 1 ATOM 13672 H HA . LEU E 1 4 ? 42.407 -13.822 55.544 1.00 8.05 ? 4 LEU E HA 1 ATOM 13673 H HB2 . LEU E 1 4 ? 43.894 -12.752 53.388 1.00 9.23 ? 4 LEU E HB2 1 ATOM 13674 H HB3 . LEU E 1 4 ? 42.514 -12.115 53.856 1.00 9.23 ? 4 LEU E HB3 1 ATOM 13675 H HG . LEU E 1 4 ? 44.833 -12.272 55.456 1.00 11.16 ? 4 LEU E HG 1 ATOM 13676 H HD11 . LEU E 1 4 ? 44.966 -9.955 55.195 1.00 13.64 ? 4 LEU E HD11 1 ATOM 13677 H HD12 . LEU E 1 4 ? 45.087 -10.692 53.811 1.00 13.64 ? 4 LEU E HD12 1 ATOM 13678 H HD13 . LEU E 1 4 ? 43.733 -10.004 54.220 1.00 13.64 ? 4 LEU E HD13 1 ATOM 13679 H HD21 . LEU E 1 4 ? 43.843 -10.954 57.030 1.00 12.49 ? 4 LEU E HD21 1 ATOM 13680 H HD22 . LEU E 1 4 ? 42.493 -10.977 56.224 1.00 12.49 ? 4 LEU E HD22 1 ATOM 13681 H HD23 . LEU E 1 4 ? 43.039 -12.297 56.879 1.00 12.49 ? 4 LEU E HD23 1 ATOM 13682 N N . SER E 1 5 ? 41.902 -15.936 53.527 1.00 8.23 ? 5 SER E N 1 ATOM 13683 C CA . SER E 1 5 ? 40.923 -16.606 52.680 1.00 7.23 ? 5 SER E CA 1 ATOM 13684 C C . SER E 1 5 ? 39.522 -16.225 53.083 1.00 8.16 ? 5 SER E C 1 ATOM 13685 O O . SER E 1 5 ? 39.182 -16.275 54.269 1.00 8.65 ? 5 SER E O 1 ATOM 13686 C CB . SER E 1 5 ? 41.054 -18.129 52.820 1.00 7.83 ? 5 SER E CB 1 ATOM 13687 O OG . SER E 1 5 ? 42.330 -18.581 52.422 1.00 9.30 ? 5 SER E OG 1 ATOM 13688 H H . SER E 1 5 ? 42.500 -16.457 53.860 1.00 9.87 ? 5 SER E H 1 ATOM 13689 H HA . SER E 1 5 ? 41.064 -16.358 51.742 1.00 8.66 ? 5 SER E HA 1 ATOM 13690 H HB2 . SER E 1 5 ? 40.911 -18.371 53.748 1.00 9.39 ? 5 SER E HB2 1 ATOM 13691 H HB3 . SER E 1 5 ? 40.384 -18.553 52.262 1.00 9.39 ? 5 SER E HB3 1 ATOM 13692 H HG . SER E 1 5 ? 42.378 -19.395 52.505 1.00 11.15 ? 5 SER E HG 1 ATOM 13693 N N . GLY E 1 6 ? 38.702 -15.848 52.099 1.00 8.10 ? 6 GLY E N 1 ATOM 13694 C CA . GLY E 1 6 ? 37.337 -15.500 52.349 1.00 8.27 ? 6 GLY E CA 1 ATOM 13695 C C . GLY E 1 6 ? 37.081 -14.150 52.990 1.00 6.41 ? 6 GLY E C 1 ATOM 13696 O O . GLY E 1 6 ? 35.955 -13.878 53.383 1.00 9.44 ? 6 GLY E O 1 ATOM 13697 H H . GLY E 1 6 ? 38.932 -15.791 51.273 1.00 9.71 ? 6 GLY E H 1 ATOM 13698 H HA2 . GLY E 1 6 ? 36.855 -15.519 51.508 1.00 9.92 ? 6 GLY E HA2 1 ATOM 13699 H HA3 . GLY E 1 6 ? 36.948 -16.175 52.927 1.00 9.92 ? 6 GLY E HA3 1 ATOM 13700 N N . LYS E 1 7 ? 38.124 -13.339 53.092 1.00 6.23 ? 7 LYS E N 1 ATOM 13701 C CA A LYS E 1 7 ? 38.077 -12.040 53.761 0.65 7.30 ? 7 LYS E CA 1 ATOM 13702 C CA B LYS E 1 7 ? 38.002 -12.030 53.724 0.35 7.29 ? 7 LYS E CA 1 ATOM 13703 C C . LYS E 1 7 ? 38.563 -10.937 52.825 1.00 6.44 ? 7 LYS E C 1 ATOM 13704 O O . LYS E 1 7 ? 39.335 -11.198 51.904 1.00 7.85 ? 7 LYS E O 1 ATOM 13705 C CB A LYS E 1 7 ? 38.979 -12.071 54.997 0.65 7.40 ? 7 LYS E CB 1 ATOM 13706 C CB B LYS E 1 7 ? 38.716 -12.006 55.080 0.35 8.54 ? 7 LYS E CB 1 ATOM 13707 C CG A LYS E 1 7 ? 38.521 -13.162 55.979 0.65 9.36 ? 7 LYS E CG 1 ATOM 13708 C CG B LYS E 1 7 ? 38.083 -12.961 56.112 0.35 7.98 ? 7 LYS E CG 1 ATOM 13709 C CD A LYS E 1 7 ? 39.344 -13.256 57.233 0.65 12.10 ? 7 LYS E CD 1 ATOM 13710 C CD B LYS E 1 7 ? 38.825 -12.953 57.411 0.35 8.83 ? 7 LYS E CD 1 ATOM 13711 C CE A LYS E 1 7 ? 38.774 -14.372 58.154 0.65 17.04 ? 7 LYS E CE 1 ATOM 13712 C CE B LYS E 1 7 ? 38.343 -14.078 58.328 0.35 15.73 ? 7 LYS E CE 1 ATOM 13713 N NZ A LYS E 1 7 ? 39.429 -14.370 59.473 0.65 20.55 ? 7 LYS E NZ 1 ATOM 13714 N NZ B LYS E 1 7 ? 36.871 -14.306 58.250 0.35 24.76 ? 7 LYS E NZ 1 ATOM 13715 H H A LYS E 1 7 ? 38.900 -13.523 52.769 0.65 7.46 ? 7 LYS E H 1 ATOM 13716 H H B LYS E 1 7 ? 38.914 -13.520 52.803 0.35 7.46 ? 7 LYS E H 1 ATOM 13717 H HA A LYS E 1 7 ? 37.159 -11.840 54.040 0.65 8.75 ? 7 LYS E HA 1 ATOM 13718 H HA B LYS E 1 7 ? 37.054 -11.838 53.879 0.35 8.74 ? 7 LYS E HA 1 ATOM 13719 H HB2 A LYS E 1 7 ? 39.890 -12.265 54.726 0.65 8.87 ? 7 LYS E HB2 1 ATOM 13720 H HB2 B LYS E 1 7 ? 39.641 -12.273 54.954 0.35 10.24 ? 7 LYS E HB2 1 ATOM 13721 H HB3 A LYS E 1 7 ? 38.935 -11.214 55.449 0.65 8.87 ? 7 LYS E HB3 1 ATOM 13722 H HB3 B LYS E 1 7 ? 38.677 -11.107 55.441 0.35 10.24 ? 7 LYS E HB3 1 ATOM 13723 H HG2 A LYS E 1 7 ? 37.605 -12.980 56.241 0.65 11.22 ? 7 LYS E HG2 1 ATOM 13724 H HG2 B LYS E 1 7 ? 37.169 -12.684 56.284 0.35 9.57 ? 7 LYS E HG2 1 ATOM 13725 H HG3 A LYS E 1 7 ? 38.568 -14.022 55.531 0.65 11.22 ? 7 LYS E HG3 1 ATOM 13726 H HG3 B LYS E 1 7 ? 38.098 -13.865 55.761 0.35 9.57 ? 7 LYS E HG3 1 ATOM 13727 H HD2 A LYS E 1 7 ? 40.260 -13.480 57.006 0.65 14.51 ? 7 LYS E HD2 1 ATOM 13728 H HD2 B LYS E 1 7 ? 39.771 -13.082 57.241 0.35 10.58 ? 7 LYS E HD2 1 ATOM 13729 H HD3 A LYS E 1 7 ? 39.307 -12.412 57.710 0.65 14.51 ? 7 LYS E HD3 1 ATOM 13730 H HD3 B LYS E 1 7 ? 38.675 -12.107 57.861 0.35 10.58 ? 7 LYS E HD3 1 ATOM 13731 H HE2 A LYS E 1 7 ? 37.824 -14.224 58.286 0.65 20.43 ? 7 LYS E HE2 1 ATOM 13732 H HE2 B LYS E 1 7 ? 38.788 -14.903 58.076 0.35 18.86 ? 7 LYS E HE2 1 ATOM 13733 H HE3 A LYS E 1 7 ? 38.925 -15.237 57.740 0.65 20.43 ? 7 LYS E HE3 1 ATOM 13734 H HE3 B LYS E 1 7 ? 38.563 -13.852 59.246 0.35 18.86 ? 7 LYS E HE3 1 ATOM 13735 H HZ1 A LYS E 1 7 ? 39.061 -15.066 60.022 0.65 24.64 ? 7 LYS E HZ1 1 ATOM 13736 H HZ1 B LYS E 1 7 ? 36.623 -14.542 57.353 0.35 29.70 ? 7 LYS E HZ1 1 ATOM 13737 H HZ2 A LYS E 1 7 ? 40.372 -14.519 59.371 0.65 24.64 ? 7 LYS E HZ2 1 ATOM 13738 H HZ2 B LYS E 1 7 ? 36.617 -15.019 58.841 0.35 29.70 ? 7 LYS E HZ2 1 ATOM 13739 H HZ3 A LYS E 1 7 ? 39.291 -13.525 59.906 0.65 24.64 ? 7 LYS E HZ3 1 ATOM 13740 H HZ3 B LYS E 1 7 ? 36.401 -13.508 58.504 0.35 29.70 ? 7 LYS E HZ3 1 ATOM 13741 N N . VAL E 1 8 ? 38.121 -9.715 53.107 1.00 6.00 ? 8 VAL E N 1 ATOM 13742 C CA . VAL E 1 8 ? 38.567 -8.499 52.420 1.00 6.08 ? 8 VAL E CA 1 ATOM 13743 C C . VAL E 1 8 ? 39.041 -7.487 53.444 1.00 5.87 ? 8 VAL E C 1 ATOM 13744 O O . VAL E 1 8 ? 38.672 -7.518 54.605 1.00 7.03 ? 8 VAL E O 1 ATOM 13745 C CB . VAL E 1 8 ? 37.431 -7.843 51.617 1.00 7.18 ? 8 VAL E CB 1 ATOM 13746 C CG1 . VAL E 1 8 ? 36.990 -8.735 50.466 1.00 8.42 ? 8 VAL E CG1 1 ATOM 13747 C CG2 . VAL E 1 8 ? 36.222 -7.564 52.485 1.00 9.07 ? 8 VAL E CG2 1 ATOM 13748 H H . VAL E 1 8 ? 37.537 -9.557 53.718 1.00 7.19 ? 8 VAL E H 1 ATOM 13749 H HA . VAL E 1 8 ? 39.307 -8.709 51.813 1.00 7.28 ? 8 VAL E HA 1 ATOM 13750 H HB . VAL E 1 8 ? 37.746 -6.993 51.245 1.00 8.60 ? 8 VAL E HB 1 ATOM 13751 H HG11 . VAL E 1 8 ? 36.283 -8.298 49.986 1.00 10.09 ? 8 VAL E HG11 1 ATOM 13752 H HG12 . VAL E 1 8 ? 37.738 -8.885 49.883 1.00 10.09 ? 8 VAL E HG12 1 ATOM 13753 H HG13 . VAL E 1 8 ? 36.679 -9.571 50.821 1.00 10.09 ? 8 VAL E HG13 1 ATOM 13754 H HG21 . VAL E 1 8 ? 35.539 -7.156 51.947 1.00 10.87 ? 8 VAL E HG21 1 ATOM 13755 H HG22 . VAL E 1 8 ? 35.901 -8.392 52.850 1.00 10.87 ? 8 VAL E HG22 1 ATOM 13756 H HG23 . VAL E 1 8 ? 36.478 -6.970 53.195 1.00 10.87 ? 8 VAL E HG23 1 ATOM 13757 N N . PHE E 1 9 ? 39.902 -6.582 52.981 1.00 5.15 ? 9 PHE E N 1 ATOM 13758 C CA . PHE E 1 9 ? 40.089 -5.298 53.676 1.00 5.60 ? 9 PHE E CA 1 ATOM 13759 C C . PHE E 1 9 ? 39.004 -4.341 53.234 1.00 6.18 ? 9 PHE E C 1 ATOM 13760 O O . PHE E 1 9 ? 38.732 -4.193 52.031 1.00 6.35 ? 9 PHE E O 1 ATOM 13761 C CB . PHE E 1 9 ? 41.426 -4.643 53.314 1.00 6.83 ? 9 PHE E CB 1 ATOM 13762 C CG . PHE E 1 9 ? 42.644 -5.361 53.788 1.00 6.44 ? 9 PHE E CG 1 ATOM 13763 C CD1 . PHE E 1 9 ? 42.846 -5.566 55.151 1.00 7.51 ? 9 PHE E CD1 1 ATOM 13764 C CD2 . PHE E 1 9 ? 43.581 -5.814 52.890 1.00 8.24 ? 9 PHE E CD2 1 ATOM 13765 C CE1 . PHE E 1 9 ? 43.971 -6.229 55.598 1.00 8.67 ? 9 PHE E CE1 1 ATOM 13766 C CE2 . PHE E 1 9 ? 44.764 -6.458 53.343 1.00 7.66 ? 9 PHE E CE2 1 ATOM 13767 C CZ . PHE E 1 9 ? 44.923 -6.696 54.680 1.00 7.99 ? 9 PHE E CZ 1 ATOM 13768 H H . PHE E 1 9 ? 40.387 -6.680 52.277 1.00 6.17 ? 9 PHE E H 1 ATOM 13769 H HA . PHE E 1 9 ? 40.039 -5.423 54.647 1.00 6.70 ? 9 PHE E HA 1 ATOM 13770 H HB2 . PHE E 1 9 ? 41.484 -4.578 52.348 1.00 8.18 ? 9 PHE E HB2 1 ATOM 13771 H HB3 . PHE E 1 9 ? 41.445 -3.753 53.699 1.00 8.18 ? 9 PHE E HB3 1 ATOM 13772 H HD1 . PHE E 1 9 ? 42.209 -5.274 55.762 1.00 9.00 ? 9 PHE E HD1 1 ATOM 13773 H HD2 . PHE E 1 9 ? 43.461 -5.658 51.981 1.00 9.87 ? 9 PHE E HD2 1 ATOM 13774 H HE1 . PHE E 1 9 ? 44.095 -6.371 56.508 1.00 10.39 ? 9 PHE E HE1 1 ATOM 13775 H HE2 . PHE E 1 9 ? 45.388 -6.778 52.732 1.00 9.18 ? 9 PHE E HE2 1 ATOM 13776 H HZ . PHE E 1 9 ? 45.689 -7.125 54.987 1.00 9.58 ? 9 PHE E HZ 1 ATOM 13777 N N . VAL E 1 10 ? 38.337 -3.730 54.204 1.00 5.28 ? 10 VAL E N 1 ATOM 13778 C CA . VAL E 1 10 ? 37.347 -2.703 53.946 1.00 7.01 ? 10 VAL E CA 1 ATOM 13779 C C . VAL E 1 10 ? 37.922 -1.364 54.390 1.00 5.23 ? 10 VAL E C 1 ATOM 13780 O O . VAL E 1 10 ? 38.291 -1.199 55.550 1.00 6.52 ? 10 VAL E O 1 ATOM 13781 C CB . VAL E 1 10 ? 36.011 -2.920 54.720 1.00 6.83 ? 10 VAL E CB 1 ATOM 13782 C CG1 . VAL E 1 10 ? 34.982 -1.883 54.305 1.00 7.08 ? 10 VAL E CG1 1 ATOM 13783 C CG2 . VAL E 1 10 ? 35.496 -4.348 54.548 1.00 7.69 ? 10 VAL E CG2 1 ATOM 13784 H H . VAL E 1 10 ? 38.446 -3.900 55.040 1.00 6.32 ? 10 VAL E H 1 ATOM 13785 H HA . VAL E 1 10 ? 37.153 -2.662 52.986 1.00 8.40 ? 10 VAL E HA 1 ATOM 13786 H HB . VAL E 1 10 ? 36.186 -2.788 55.675 1.00 8.18 ? 10 VAL E HB 1 ATOM 13787 H HG11 . VAL E 1 10 ? 34.170 -2.036 54.794 1.00 8.49 ? 10 VAL E HG11 1 ATOM 13788 H HG12 . VAL E 1 10 ? 35.323 -1.008 54.503 1.00 8.49 ? 10 VAL E HG12 1 ATOM 13789 H HG13 . VAL E 1 10 ? 34.817 -1.966 53.363 1.00 8.49 ? 10 VAL E HG13 1 ATOM 13790 H HG21 . VAL E 1 10 ? 34.676 -4.444 55.036 1.00 9.21 ? 10 VAL E HG21 1 ATOM 13791 H HG22 . VAL E 1 10 ? 35.344 -4.514 53.614 1.00 9.21 ? 10 VAL E HG22 1 ATOM 13792 H HG23 . VAL E 1 10 ? 36.154 -4.960 54.886 1.00 9.21 ? 10 VAL E HG23 1 ATOM 13793 N N . PHE E 1 11 ? 38.038 -0.452 53.426 1.00 5.73 ? 11 PHE E N 1 ATOM 13794 C CA . PHE E 1 11 ? 38.423 0.945 53.675 1.00 5.70 ? 11 PHE E CA 1 ATOM 13795 C C . PHE E 1 11 ? 37.133 1.726 53.664 1.00 5.62 ? 11 PHE E C 1 ATOM 13796 O O . PHE E 1 11 ? 36.594 2.031 52.590 1.00 5.98 ? 11 PHE E O 1 ATOM 13797 C CB . PHE E 1 11 ? 39.352 1.416 52.535 1.00 5.37 ? 11 PHE E CB 1 ATOM 13798 C CG . PHE E 1 11 ? 40.587 0.567 52.388 1.00 5.40 ? 11 PHE E CG 1 ATOM 13799 C CD1 . PHE E 1 11 ? 40.575 -0.603 51.639 1.00 6.62 ? 11 PHE E CD1 1 ATOM 13800 C CD2 . PHE E 1 11 ? 41.782 0.934 53.007 1.00 7.72 ? 11 PHE E CD2 1 ATOM 13801 C CE1 . PHE E 1 11 ? 41.718 -1.407 51.539 1.00 7.13 ? 11 PHE E CE1 1 ATOM 13802 C CE2 . PHE E 1 11 ? 42.908 0.129 52.918 1.00 8.39 ? 11 PHE E CE2 1 ATOM 13803 C CZ . PHE E 1 11 ? 42.877 -1.024 52.171 1.00 8.04 ? 11 PHE E CZ 1 ATOM 13804 H H . PHE E 1 11 ? 37.894 -0.620 52.595 1.00 6.87 ? 11 PHE E H 1 ATOM 13805 H HA . PHE E 1 11 ? 38.871 1.041 54.541 1.00 6.83 ? 11 PHE E HA 1 ATOM 13806 H HB2 . PHE E 1 11 ? 38.864 1.382 51.697 1.00 6.43 ? 11 PHE E HB2 1 ATOM 13807 H HB3 . PHE E 1 11 ? 39.635 2.326 52.716 1.00 6.43 ? 11 PHE E HB3 1 ATOM 13808 H HD1 . PHE E 1 11 ? 39.789 -0.871 51.220 1.00 7.93 ? 11 PHE E HD1 1 ATOM 13809 H HD2 . PHE E 1 11 ? 41.811 1.705 53.527 1.00 9.25 ? 11 PHE E HD2 1 ATOM 13810 H HE1 . PHE E 1 11 ? 41.697 -2.187 51.034 1.00 8.54 ? 11 PHE E HE1 1 ATOM 13811 H HE2 . PHE E 1 11 ? 43.698 0.390 53.334 1.00 10.06 ? 11 PHE E HE2 1 ATOM 13812 H HZ . PHE E 1 11 ? 43.642 -1.547 52.094 1.00 9.64 ? 11 PHE E HZ 1 ATOM 13813 N N . PRO E 1 12 ? 36.540 1.935 54.854 1.00 6.55 ? 12 PRO E N 1 ATOM 13814 C CA . PRO E 1 12 ? 35.117 2.324 54.872 1.00 5.77 ? 12 PRO E CA 1 ATOM 13815 C C . PRO E 1 12 ? 34.791 3.788 54.669 1.00 7.05 ? 12 PRO E C 1 ATOM 13816 O O . PRO E 1 12 ? 33.613 4.163 54.613 1.00 7.12 ? 12 PRO E O 1 ATOM 13817 C CB . PRO E 1 12 ? 34.634 1.874 56.280 1.00 7.88 ? 12 PRO E CB 1 ATOM 13818 C CG . PRO E 1 12 ? 35.782 1.054 56.859 1.00 8.95 ? 12 PRO E CG 1 ATOM 13819 C CD . PRO E 1 12 ? 37.019 1.652 56.216 1.00 6.79 ? 12 PRO E CD 1 ATOM 13820 H HA . PRO E 1 12 ? 34.631 1.804 54.198 1.00 6.91 ? 12 PRO E HA 1 ATOM 13821 H HB2 . PRO E 1 12 ? 34.460 2.655 56.829 1.00 9.45 ? 12 PRO E HB2 1 ATOM 13822 H HB3 . PRO E 1 12 ? 33.835 1.331 56.192 1.00 9.45 ? 12 PRO E HB3 1 ATOM 13823 H HG2 . PRO E 1 12 ? 35.808 1.157 57.823 1.00 10.72 ? 12 PRO E HG2 1 ATOM 13824 H HG3 . PRO E 1 12 ? 35.679 0.122 56.612 1.00 10.72 ? 12 PRO E HG3 1 ATOM 13825 H HD2 . PRO E 1 12 ? 37.278 2.472 56.666 1.00 8.13 ? 12 PRO E HD2 1 ATOM 13826 H HD3 . PRO E 1 12 ? 37.743 1.006 56.197 1.00 8.13 ? 12 PRO E HD3 1 ATOM 13827 N N . ARG E 1 13 ? 35.821 4.609 54.585 1.00 6.38 ? 13 ARG E N 1 ATOM 13828 C CA . ARG E 1 13 ? 35.642 6.051 54.404 1.00 8.09 ? 13 ARG E CA 1 ATOM 13829 C C . ARG E 1 13 ? 36.816 6.645 53.638 1.00 6.78 ? 13 ARG E C 1 ATOM 13830 O O . ARG E 1 13 ? 37.902 6.076 53.599 1.00 8.72 ? 13 ARG E O 1 ATOM 13831 C CB . ARG E 1 13 ? 35.529 6.768 55.768 1.00 8.26 ? 13 ARG E CB 1 ATOM 13832 C CG . ARG E 1 13 ? 36.880 6.694 56.477 1.00 14.24 ? 13 ARG E CG 1 ATOM 13833 C CD . ARG E 1 13 ? 37.091 7.578 57.652 1.00 13.71 ? 13 ARG E CD 1 ATOM 13834 N NE . ARG E 1 13 ? 38.386 7.355 58.227 1.00 10.38 ? 13 ARG E NE 1 ATOM 13835 C CZ . ARG E 1 13 ? 38.784 7.802 59.406 1.00 12.57 ? 13 ARG E CZ 1 ATOM 13836 N NH1 . ARG E 1 13 ? 37.983 8.544 60.124 1.00 14.68 ? 13 ARG E NH1 1 ATOM 13837 N NH2 . ARG E 1 13 ? 40.007 7.510 59.840 1.00 12.84 ? 13 ARG E NH2 1 ATOM 13838 H H . ARG E 1 13 ? 36.643 4.362 54.630 1.00 7.65 ? 13 ARG E H 1 ATOM 13839 H HA . ARG E 1 13 ? 34.821 6.218 53.895 1.00 9.70 ? 13 ARG E HA 1 ATOM 13840 H HB2 . ARG E 1 13 ? 35.298 7.700 55.631 1.00 9.90 ? 13 ARG E HB2 1 ATOM 13841 H HB3 . ARG E 1 13 ? 34.863 6.326 56.317 1.00 9.90 ? 13 ARG E HB3 1 ATOM 13842 H HG2 . ARG E 1 13 ? 37.008 5.782 56.782 1.00 17.08 ? 13 ARG E HG2 1 ATOM 13843 H HG3 . ARG E 1 13 ? 37.570 6.912 55.831 1.00 17.08 ? 13 ARG E HG3 1 ATOM 13844 H HD2 . ARG E 1 13 ? 37.036 8.505 57.373 1.00 16.44 ? 13 ARG E HD2 1 ATOM 13845 H HD3 . ARG E 1 13 ? 36.420 7.387 58.326 1.00 16.44 ? 13 ARG E HD3 1 ATOM 13846 H HE . ARG E 1 13 ? 39.020 6.835 57.710 1.00 12.45 ? 13 ARG E HE 1 ATOM 13847 H HH11 . ARG E 1 13 ? 37.192 8.725 59.838 1.00 17.60 ? 13 ARG E HH11 1 ATOM 13848 H HH12 . ARG E 1 13 ? 38.242 8.842 60.889 1.00 17.60 ? 13 ARG E HH12 1 ATOM 13849 H HH21 . ARG E 1 13 ? 40.531 7.028 59.357 1.00 15.39 ? 13 ARG E HH21 1 ATOM 13850 H HH22 . ARG E 1 13 ? 40.277 7.809 60.600 1.00 15.39 ? 13 ARG E HH22 1 ATOM 13851 N N . GLU E 1 14 ? 36.579 7.822 53.071 1.00 6.64 ? 14 GLU E N 1 ATOM 13852 C CA . GLU E 1 14 ? 37.646 8.634 52.490 1.00 6.65 ? 14 GLU E CA 1 ATOM 13853 C C . GLU E 1 14 ? 38.474 9.304 53.569 1.00 7.36 ? 14 GLU E C 1 ATOM 13854 O O . GLU E 1 14 ? 37.939 9.868 54.530 1.00 7.67 ? 14 GLU E O 1 ATOM 13855 C CB . GLU E 1 14 ? 37.080 9.711 51.583 1.00 7.12 ? 14 GLU E CB 1 ATOM 13856 C CG . GLU E 1 14 ? 38.178 10.502 50.899 1.00 7.84 ? 14 GLU E CG 1 ATOM 13857 C CD . GLU E 1 14 ? 37.643 11.360 49.776 1.00 10.00 ? 14 GLU E CD 1 ATOM 13858 O OE1 . GLU E 1 14 ? 36.939 10.834 48.853 1.00 11.03 ? 14 GLU E OE1 1 ATOM 13859 O OE2 . GLU E 1 14 ? 37.986 12.592 49.773 1.00 12.02 ? 14 GLU E OE2 1 ATOM 13860 H H . GLU E 1 14 ? 35.799 8.179 53.009 1.00 7.96 ? 14 GLU E H 1 ATOM 13861 H HA . GLU E 1 14 ? 38.236 8.061 51.958 1.00 7.97 ? 14 GLU E HA 1 ATOM 13862 H HB2 . GLU E 1 14 ? 36.533 9.296 50.897 1.00 8.54 ? 14 GLU E HB2 1 ATOM 13863 H HB3 . GLU E 1 14 ? 36.547 10.326 52.110 1.00 8.54 ? 14 GLU E HB3 1 ATOM 13864 H HG2 . GLU E 1 14 ? 38.602 11.084 51.548 1.00 9.40 ? 14 GLU E HG2 1 ATOM 13865 H HG3 . GLU E 1 14 ? 38.828 9.887 50.525 1.00 9.40 ? 14 GLU E HG3 1 ATOM 13866 N N . SER E 1 15 ? 39.795 9.244 53.388 1.00 7.05 ? 15 SER E N 1 ATOM 13867 C CA . SER E 1 15 ? 40.748 9.804 54.335 1.00 6.83 ? 15 SER E CA 1 ATOM 13868 C C . SER E 1 15 ? 42.056 10.009 53.631 1.00 6.62 ? 15 SER E C 1 ATOM 13869 O O . SER E 1 15 ? 42.262 9.520 52.527 1.00 6.97 ? 15 SER E O 1 ATOM 13870 C CB . SER E 1 15 ? 40.970 8.868 55.518 1.00 7.76 ? 15 SER E CB 1 ATOM 13871 O OG . SER E 1 15 ? 41.802 7.777 55.127 1.00 8.06 ? 15 SER E OG 1 ATOM 13872 H H . SER E 1 15 ? 40.167 8.875 52.707 1.00 8.45 ? 15 SER E H 1 ATOM 13873 H HA . SER E 1 15 ? 40.424 10.667 54.667 1.00 8.19 ? 15 SER E HA 1 ATOM 13874 H HB2 . SER E 1 15 ? 41.404 9.358 56.234 1.00 9.30 ? 15 SER E HB2 1 ATOM 13875 H HB3 . SER E 1 15 ? 40.114 8.524 55.817 1.00 9.30 ? 15 SER E HB3 1 ATOM 13876 H HG . SER E 1 15 ? 42.009 7.852 54.337 1.00 9.66 ? 15 SER E HG 1 ATOM 13877 N N . VAL E 1 16 ? 42.996 10.703 54.299 1.00 7.29 ? 16 VAL E N 1 ATOM 13878 C CA A VAL E 1 16 ? 44.378 10.804 53.858 0.75 8.69 ? 16 VAL E CA 1 ATOM 13879 C CA B VAL E 1 16 ? 44.348 10.776 53.793 0.25 9.20 ? 16 VAL E CA 1 ATOM 13880 C C . VAL E 1 16 ? 45.191 9.633 54.365 1.00 10.55 ? 16 VAL E C 1 ATOM 13881 O O . VAL E 1 16 ? 46.088 9.149 53.678 1.00 15.20 ? 16 VAL E O 1 ATOM 13882 C CB A VAL E 1 16 ? 45.062 12.097 54.378 0.75 10.60 ? 16 VAL E CB 1 ATOM 13883 C CB B VAL E 1 16 ? 44.991 12.158 54.059 0.25 10.00 ? 16 VAL E CB 1 ATOM 13884 C CG1 A VAL E 1 16 ? 46.451 12.235 53.796 0.75 10.55 ? 16 VAL E CG1 1 ATOM 13885 C CG1 B VAL E 1 16 ? 44.243 13.234 53.300 0.25 10.81 ? 16 VAL E CG1 1 ATOM 13886 C CG2 A VAL E 1 16 ? 44.261 13.285 54.026 0.75 10.22 ? 16 VAL E CG2 1 ATOM 13887 C CG2 B VAL E 1 16 ? 44.974 12.480 55.523 0.25 9.34 ? 16 VAL E CG2 1 ATOM 13888 H H A VAL E 1 16 ? 42.842 11.131 55.029 0.75 8.74 ? 16 VAL E H 1 ATOM 13889 H H B VAL E 1 16 ? 42.865 11.129 55.035 0.25 8.74 ? 16 VAL E H 1 ATOM 13890 H HA A VAL E 1 16 ? 44.410 10.806 52.878 0.75 10.42 ? 16 VAL E HA 1 ATOM 13891 H HA B VAL E 1 16 ? 44.317 10.654 52.821 0.25 11.03 ? 16 VAL E HA 1 ATOM 13892 H HB A VAL E 1 16 ? 45.139 12.054 55.354 0.75 12.70 ? 16 VAL E HB 1 ATOM 13893 H HB B VAL E 1 16 ? 45.922 12.151 53.753 0.25 11.99 ? 16 VAL E HB 1 ATOM 13894 H HG11 A VAL E 1 16 ? 46.852 13.040 54.132 0.75 12.65 ? 16 VAL E HG11 1 ATOM 13895 H HG11 B VAL E 1 16 ? 44.655 14.084 53.476 0.25 12.96 ? 16 VAL E HG11 1 ATOM 13896 H HG12 A VAL E 1 16 ? 46.976 11.474 54.056 0.75 12.65 ? 16 VAL E HG12 1 ATOM 13897 H HG12 B VAL E 1 16 ? 44.284 13.039 52.361 0.25 12.96 ? 16 VAL E HG12 1 ATOM 13898 H HG13 A VAL E 1 16 ? 46.386 12.276 52.839 0.75 12.65 ? 16 VAL E HG13 1 ATOM 13899 H HG13 B VAL E 1 16 ? 43.329 13.246 53.593 0.25 12.96 ? 16 VAL E HG13 1 ATOM 13900 H HG21 A VAL E 1 16 ? 44.704 14.070 54.357 0.75 12.25 ? 16 VAL E HG21 1 ATOM 13901 H HG21 B VAL E 1 16 ? 45.378 13.340 55.659 0.25 11.20 ? 16 VAL E HG21 1 ATOM 13902 H HG22 A VAL E 1 16 ? 44.179 13.334 53.070 0.75 12.25 ? 16 VAL E HG22 1 ATOM 13903 H HG22 B VAL E 1 16 ? 44.064 12.493 55.829 0.25 11.20 ? 16 VAL E HG22 1 ATOM 13904 H HG23 A VAL E 1 16 ? 43.392 13.206 54.426 0.75 12.25 ? 16 VAL E HG23 1 ATOM 13905 H HG23 B VAL E 1 16 ? 45.469 11.807 55.996 0.25 11.20 ? 16 VAL E HG23 1 ATOM 13906 N N . THR E 1 17 ? 44.860 9.137 55.557 1.00 9.57 ? 17 THR E N 1 ATOM 13907 C CA . THR E 1 17 ? 45.783 8.232 56.222 1.00 10.01 ? 17 THR E CA 1 ATOM 13908 C C . THR E 1 17 ? 45.367 6.786 56.459 1.00 8.65 ? 17 THR E C 1 ATOM 13909 O O . THR E 1 17 ? 46.194 5.998 56.867 1.00 10.82 ? 17 THR E O 1 ATOM 13910 C CB . THR E 1 17 ? 46.207 8.812 57.577 1.00 15.60 ? 17 THR E CB 1 ATOM 13911 O OG1 . THR E 1 17 ? 45.041 9.188 58.303 1.00 16.46 ? 17 THR E OG1 1 ATOM 13912 C CG2 . THR E 1 17 ? 47.098 10.064 57.370 1.00 17.77 ? 17 THR E CG2 1 ATOM 13913 H H . THR E 1 17 ? 44.132 9.302 55.985 1.00 11.47 ? 17 THR E H 1 ATOM 13914 H HA . THR E 1 17 ? 46.593 8.195 55.672 1.00 12.00 ? 17 THR E HA 1 ATOM 13915 H HB . THR E 1 17 ? 46.707 8.149 58.078 1.00 18.71 ? 17 THR E HB 1 ATOM 13916 H HG1 . THR E 1 17 ? 44.562 8.534 58.423 1.00 19.74 ? 17 THR E HG1 1 ATOM 13917 H HG21 . THR E 1 17 ? 47.360 10.424 58.220 1.00 21.31 ? 17 THR E HG21 1 ATOM 13918 H HG22 . THR E 1 17 ? 47.885 9.828 56.874 1.00 21.31 ? 17 THR E HG22 1 ATOM 13919 H HG23 . THR E 1 17 ? 46.613 10.735 56.884 1.00 21.31 ? 17 THR E HG23 1 ATOM 13920 N N . ASP E 1 18 ? 44.117 6.408 56.175 1.00 7.77 ? 18 ASP E N 1 ATOM 13921 C CA . ASP E 1 18 ? 43.732 5.000 56.353 1.00 7.99 ? 18 ASP E CA 1 ATOM 13922 C C . ASP E 1 18 ? 44.419 4.178 55.259 1.00 6.95 ? 18 ASP E C 1 ATOM 13923 O O . ASP E 1 18 ? 44.282 4.488 54.070 1.00 6.59 ? 18 ASP E O 1 ATOM 13924 C CB . ASP E 1 18 ? 42.211 4.773 56.214 1.00 6.22 ? 18 ASP E CB 1 ATOM 13925 C CG . ASP E 1 18 ? 41.379 5.594 57.179 1.00 7.72 ? 18 ASP E CG 1 ATOM 13926 O OD1 . ASP E 1 18 ? 41.864 5.898 58.301 1.00 9.70 ? 18 ASP E OD1 1 ATOM 13927 O OD2 . ASP E 1 18 ? 40.201 5.865 56.831 1.00 9.25 ? 18 ASP E OD2 1 ATOM 13928 H H . ASP E 1 18 ? 43.492 6.925 55.888 1.00 9.32 ? 18 ASP E H 1 ATOM 13929 H HA . ASP E 1 18 ? 44.026 4.677 57.230 1.00 9.57 ? 18 ASP E HA 1 ATOM 13930 H HB2 . ASP E 1 18 ? 41.941 5.011 55.314 1.00 7.45 ? 18 ASP E HB2 1 ATOM 13931 H HB3 . ASP E 1 18 ? 42.019 3.837 56.379 1.00 7.45 ? 18 ASP E HB3 1 ATOM 13932 N N . HIS E 1 19 ? 45.156 3.135 55.640 1.00 6.89 ? 19 HIS E N 1 ATOM 13933 C CA . HIS E 1 19 ? 45.860 2.314 54.657 1.00 8.24 ? 19 HIS E CA 1 ATOM 13934 C C . HIS E 1 19 ? 46.315 1.007 55.251 1.00 7.70 ? 19 HIS E C 1 ATOM 13935 O O . HIS E 1 19 ? 46.308 0.834 56.457 1.00 7.61 ? 19 HIS E O 1 ATOM 13936 C CB . HIS E 1 19 ? 47.052 3.073 54.029 1.00 7.70 ? 19 HIS E CB 1 ATOM 13937 C CG . HIS E 1 19 ? 48.193 3.348 54.961 1.00 7.96 ? 19 HIS E CG 1 ATOM 13938 N ND1 . HIS E 1 19 ? 48.156 4.344 55.926 1.00 8.90 ? 19 HIS E ND1 1 ATOM 13939 C CD2 . HIS E 1 19 ? 49.420 2.771 55.062 1.00 9.98 ? 19 HIS E CD2 1 ATOM 13940 C CE1 . HIS E 1 19 ? 49.332 4.382 56.549 1.00 9.45 ? 19 HIS E CE1 1 ATOM 13941 N NE2 . HIS E 1 19 ? 50.107 3.435 56.051 1.00 12.53 ? 19 HIS E NE2 1 ATOM 13942 H H . HIS E 1 19 ? 45.263 2.883 56.456 1.00 8.26 ? 19 HIS E H 1 ATOM 13943 H HA . HIS E 1 19 ? 45.236 2.101 53.931 1.00 9.88 ? 19 HIS E HA 1 ATOM 13944 H HB2 . HIS E 1 19 ? 47.398 2.548 53.291 1.00 9.23 ? 19 HIS E HB2 1 ATOM 13945 H HB3 . HIS E 1 19 ? 46.734 3.928 53.698 1.00 9.23 ? 19 HIS E HB3 1 ATOM 13946 H HD1 . HIS E 1 19 ? 47.498 4.880 56.066 1.00 10.67 ? 19 HIS E HD1 1 ATOM 13947 H HD2 . HIS E 1 19 ? 49.746 2.075 54.538 1.00 11.97 ? 19 HIS E HD2 1 ATOM 13948 H HE1 . HIS E 1 19 ? 49.555 4.951 57.250 1.00 11.32 ? 19 HIS E HE1 1 ATOM 13949 N N . VAL E 1 20 ? 46.775 0.121 54.362 1.00 7.31 ? 20 VAL E N 1 ATOM 13950 C CA . VAL E 1 20 ? 47.412 -1.152 54.731 1.00 6.47 ? 20 VAL E CA 1 ATOM 13951 C C . VAL E 1 20 ? 48.767 -1.196 54.087 1.00 6.66 ? 20 VAL E C 1 ATOM 13952 O O . VAL E 1 20 ? 48.899 -0.971 52.884 1.00 8.03 ? 20 VAL E O 1 ATOM 13953 C CB . VAL E 1 20 ? 46.589 -2.353 54.280 1.00 7.65 ? 20 VAL E CB 1 ATOM 13954 C CG1 . VAL E 1 20 ? 47.296 -3.646 54.681 1.00 9.77 ? 20 VAL E CG1 1 ATOM 13955 C CG2 . VAL E 1 20 ? 45.198 -2.305 54.866 1.00 8.26 ? 20 VAL E CG2 1 ATOM 13956 H H . VAL E 1 20 ? 46.727 0.239 53.512 1.00 8.76 ? 20 VAL E H 1 ATOM 13957 H HA . VAL E 1 20 ? 47.525 -1.196 55.704 1.00 7.75 ? 20 VAL E HA 1 ATOM 13958 H HB . VAL E 1 20 ? 46.509 -2.340 53.303 1.00 9.17 ? 20 VAL E HB 1 ATOM 13959 H HG11 . VAL E 1 20 ? 46.768 -4.393 54.392 1.00 11.71 ? 20 VAL E HG11 1 ATOM 13960 H HG12 . VAL E 1 20 ? 48.159 -3.672 54.262 1.00 11.71 ? 20 VAL E HG12 1 ATOM 13961 H HG13 . VAL E 1 20 ? 47.394 -3.664 55.636 1.00 11.71 ? 20 VAL E HG13 1 ATOM 13962 H HG21 . VAL E 1 20 ? 44.706 -3.072 54.564 1.00 9.90 ? 20 VAL E HG21 1 ATOM 13963 H HG22 . VAL E 1 20 ? 45.262 -2.313 55.824 1.00 9.90 ? 20 VAL E HG22 1 ATOM 13964 H HG23 . VAL E 1 20 ? 44.763 -1.501 54.573 1.00 9.90 ? 20 VAL E HG23 1 ATOM 13965 N N . ASN E 1 21 ? 49.801 -1.448 54.899 1.00 7.36 ? 21 ASN E N 1 ATOM 13966 C CA . ASN E 1 21 ? 51.098 -1.789 54.349 1.00 7.22 ? 21 ASN E CA 1 ATOM 13967 C C . ASN E 1 21 ? 51.230 -3.268 54.100 1.00 8.13 ? 21 ASN E C 1 ATOM 13968 O O . ASN E 1 21 ? 50.874 -4.050 54.960 1.00 9.17 ? 21 ASN E O 1 ATOM 13969 C CB . ASN E 1 21 ? 52.202 -1.403 55.328 1.00 8.66 ? 21 ASN E CB 1 ATOM 13970 C CG . ASN E 1 21 ? 52.189 0.091 55.672 1.00 10.29 ? 21 ASN E CG 1 ATOM 13971 O OD1 . ASN E 1 21 ? 51.955 0.960 54.828 1.00 10.55 ? 21 ASN E OD1 1 ATOM 13972 N ND2 . ASN E 1 21 ? 52.494 0.387 56.931 1.00 11.31 ? 21 ASN E ND2 1 ATOM 13973 H H . ASN E 1 21 ? 49.770 -1.427 55.758 1.00 8.82 ? 21 ASN E H 1 ATOM 13974 H HA . ASN E 1 21 ? 51.239 -1.310 53.505 1.00 8.66 ? 21 ASN E HA 1 ATOM 13975 H HB2 . ASN E 1 21 ? 52.084 -1.902 56.151 1.00 10.38 ? 21 ASN E HB2 1 ATOM 13976 H HB3 . ASN E 1 21 ? 53.063 -1.613 54.933 1.00 10.38 ? 21 ASN E HB3 1 ATOM 13977 H HD21 . ASN E 1 21 ? 52.506 1.322 57.225 1.00 13.56 ? 21 ASN E HD21 1 ATOM 13978 H HD22 . ASN E 1 21 ? 52.707 -0.329 57.565 1.00 13.56 ? 21 ASN E HD22 1 ATOM 13979 N N . LEU E 1 22 ? 51.725 -3.645 52.926 1.00 7.66 ? 22 LEU E N 1 ATOM 13980 C CA . LEU E 1 22 ? 51.956 -5.046 52.589 1.00 7.98 ? 22 LEU E CA 1 ATOM 13981 C C . LEU E 1 22 ? 53.459 -5.275 52.631 1.00 8.02 ? 22 LEU E C 1 ATOM 13982 O O . LEU E 1 22 ? 54.232 -4.566 51.984 1.00 10.04 ? 22 LEU E O 1 ATOM 13983 C CB . LEU E 1 22 ? 51.410 -5.388 51.216 1.00 7.80 ? 22 LEU E CB 1 ATOM 13984 C CG . LEU E 1 22 ? 49.922 -5.117 51.014 1.00 8.85 ? 22 LEU E CG 1 ATOM 13985 C CD1 . LEU E 1 22 ? 49.493 -5.569 49.611 1.00 10.47 ? 22 LEU E CD1 1 ATOM 13986 C CD2 . LEU E 1 22 ? 49.057 -5.862 52.062 1.00 8.19 ? 22 LEU E CD2 1 ATOM 13987 H H . LEU E 1 22 ? 51.939 -3.099 52.297 1.00 9.18 ? 22 LEU E H 1 ATOM 13988 H HA . LEU E 1 22 ? 51.528 -5.624 53.254 1.00 9.56 ? 22 LEU E HA 1 ATOM 13989 H HB2 . LEU E 1 22 ? 51.893 -4.867 50.555 1.00 9.34 ? 22 LEU E HB2 1 ATOM 13990 H HB3 . LEU E 1 22 ? 51.558 -6.333 51.054 1.00 9.34 ? 22 LEU E HB3 1 ATOM 13991 H HG . LEU E 1 22 ? 49.753 -4.166 51.095 1.00 10.61 ? 22 LEU E HG 1 ATOM 13992 H HD11 . LEU E 1 22 ? 48.556 -5.392 49.499 1.00 12.56 ? 22 LEU E HD11 1 ATOM 13993 H HD12 . LEU E 1 22 ? 49.999 -5.080 48.958 1.00 12.56 ? 22 LEU E HD12 1 ATOM 13994 H HD13 . LEU E 1 22 ? 49.662 -6.509 49.520 1.00 12.56 ? 22 LEU E HD13 1 ATOM 13995 H HD21 . LEU E 1 22 ? 48.132 -5.665 51.900 1.00 9.82 ? 22 LEU E HD21 1 ATOM 13996 H HD22 . LEU E 1 22 ? 49.211 -6.806 51.980 1.00 9.82 ? 22 LEU E HD22 1 ATOM 13997 H HD23 . LEU E 1 22 ? 49.307 -5.564 52.940 1.00 9.82 ? 22 LEU E HD23 1 ATOM 13998 N N . ILE E 1 23 ? 53.864 -6.292 53.370 1.00 9.72 ? 23 ILE E N 1 ATOM 13999 C CA A ILE E 1 23 ? 55.269 -6.529 53.642 0.51 12.68 ? 23 ILE E CA 1 ATOM 14000 C CA B ILE E 1 23 ? 55.264 -6.539 53.660 0.49 12.83 ? 23 ILE E CA 1 ATOM 14001 C C . ILE E 1 23 ? 55.755 -7.746 52.878 1.00 11.36 ? 23 ILE E C 1 ATOM 14002 O O . ILE E 1 23 ? 55.170 -8.825 52.949 1.00 13.29 ? 23 ILE E O 1 ATOM 14003 C CB A ILE E 1 23 ? 55.479 -6.754 55.139 0.51 13.58 ? 23 ILE E CB 1 ATOM 14004 C CB B ILE E 1 23 ? 55.431 -6.821 55.157 0.49 13.27 ? 23 ILE E CB 1 ATOM 14005 C CG1 A ILE E 1 23 ? 55.040 -5.517 55.936 0.51 16.37 ? 23 ILE E CG1 1 ATOM 14006 C CG1 B ILE E 1 23 ? 54.729 -5.744 55.997 0.49 17.34 ? 23 ILE E CG1 1 ATOM 14007 C CG2 A ILE E 1 23 ? 56.941 -7.107 55.419 0.51 16.10 ? 23 ILE E CG2 1 ATOM 14008 C CG2 B ILE E 1 23 ? 56.909 -6.945 55.515 0.49 16.10 ? 23 ILE E CG2 1 ATOM 14009 C CD1 A ILE E 1 23 ? 54.694 -5.816 57.404 0.51 21.07 ? 23 ILE E CD1 1 ATOM 14010 C CD1 B ILE E 1 23 ? 55.264 -4.355 55.786 0.49 17.13 ? 23 ILE E CD1 1 ATOM 14011 H H A ILE E 1 23 ? 53.337 -6.868 53.730 0.51 11.66 ? 23 ILE E H 1 ATOM 14012 H H B ILE E 1 23 ? 53.333 -6.868 53.724 0.49 11.66 ? 23 ILE E H 1 ATOM 14013 H HA A ILE E 1 23 ? 55.796 -5.751 53.364 0.51 15.21 ? 23 ILE E HA 1 ATOM 14014 H HA B ILE E 1 23 ? 55.803 -5.757 53.418 0.49 15.38 ? 23 ILE E HA 1 ATOM 14015 H HB A ILE E 1 23 ? 54.928 -7.503 55.413 0.51 16.28 ? 23 ILE E HB 1 ATOM 14016 H HB B ILE E 1 23 ? 55.006 -7.672 55.349 0.49 15.91 ? 23 ILE E HB 1 ATOM 14017 H HG12 A ILE E 1 23 ? 55.760 -4.867 55.928 0.51 19.63 ? 23 ILE E HG12 1 ATOM 14018 H HG12 B ILE E 1 23 ? 53.787 -5.735 55.768 0.49 20.80 ? 23 ILE E HG12 1 ATOM 14019 H HG13 A ILE E 1 23 ? 54.251 -5.139 55.517 0.51 19.63 ? 23 ILE E HG13 1 ATOM 14020 H HG13 B ILE E 1 23 ? 54.837 -5.962 56.936 0.49 20.80 ? 23 ILE E HG13 1 ATOM 14021 H HG21 A ILE E 1 23 ? 57.054 -7.245 56.362 0.51 19.31 ? 23 ILE E HG21 1 ATOM 14022 H HG21 B ILE E 1 23 ? 56.988 -7.121 56.455 0.49 19.30 ? 23 ILE E HG21 1 ATOM 14023 H HG22 A ILE E 1 23 ? 57.166 -7.909 54.942 0.51 19.31 ? 23 ILE E HG22 1 ATOM 14024 H HG22 B ILE E 1 23 ? 57.292 -7.668 55.012 0.49 19.30 ? 23 ILE E HG22 1 ATOM 14025 H HG23 A ILE E 1 23 ? 57.499 -6.383 55.124 0.51 19.31 ? 23 ILE E HG23 1 ATOM 14026 H HG23 B ILE E 1 23 ? 57.353 -6.122 55.297 0.49 19.30 ? 23 ILE E HG23 1 ATOM 14027 H HD11 A ILE E 1 23 ? 54.430 -5.000 57.835 0.51 25.27 ? 23 ILE E HD11 1 ATOM 14028 H HD11 B ILE E 1 23 ? 54.776 -3.745 56.344 0.49 20.54 ? 23 ILE E HD11 1 ATOM 14029 H HD12 A ILE E 1 23 ? 53.973 -6.450 57.433 0.51 25.27 ? 23 ILE E HD12 1 ATOM 14030 H HD12 B ILE E 1 23 ? 56.195 -4.340 56.020 0.49 20.54 ? 23 ILE E HD12 1 ATOM 14031 H HD13 A ILE E 1 23 ? 55.468 -6.181 57.839 0.51 25.27 ? 23 ILE E HD13 1 ATOM 14032 H HD13 B ILE E 1 23 ? 55.154 -4.115 54.863 0.49 20.54 ? 23 ILE E HD13 1 ATOM 14033 N N . THR E 1 24 ? 56.825 -7.547 52.117 1.00 17.44 ? 24 THR E N 1 ATOM 14034 C CA . THR E 1 24 ? 57.440 -8.636 51.390 1.00 19.90 ? 24 THR E CA 1 ATOM 14035 C C . THR E 1 24 ? 58.958 -8.439 51.551 1.00 18.95 ? 24 THR E C 1 ATOM 14036 O O . THR E 1 24 ? 59.449 -7.303 51.514 1.00 24.71 ? 24 THR E O 1 ATOM 14037 C CB . THR E 1 24 ? 56.995 -8.613 49.916 1.00 20.45 ? 24 THR E CB 1 ATOM 14038 O OG1 . THR E 1 24 ? 57.517 -9.753 49.196 1.00 24.58 ? 24 THR E OG1 1 ATOM 14039 C CG2 . THR E 1 24 ? 57.472 -7.350 49.255 1.00 26.69 ? 24 THR E CG2 1 ATOM 14040 H H . THR E 1 24 ? 57.212 -6.787 52.007 1.00 20.92 ? 24 THR E H 1 ATOM 14041 H HA . THR E 1 24 ? 57.184 -9.494 51.789 1.00 23.87 ? 24 THR E HA 1 ATOM 14042 H HB . THR E 1 24 ? 56.026 -8.627 49.876 1.00 24.53 ? 24 THR E HB 1 ATOM 14043 H HG1 . THR E 1 24 ? 57.246 -10.448 49.537 1.00 29.49 ? 24 THR E HG1 1 ATOM 14044 H HG21 . THR E 1 24 ? 57.195 -7.336 48.336 1.00 32.02 ? 24 THR E HG21 1 ATOM 14045 H HG22 . THR E 1 24 ? 57.104 -6.586 49.704 1.00 32.02 ? 24 THR E HG22 1 ATOM 14046 H HG23 . THR E 1 24 ? 58.430 -7.302 49.292 1.00 32.02 ? 24 THR E HG23 1 ATOM 14047 N N . PRO E 1 25 ? 59.696 -9.528 51.751 1.00 27.45 ? 25 PRO E N 1 ATOM 14048 C CA . PRO E 1 25 ? 61.164 -9.457 51.802 1.00 35.73 ? 25 PRO E CA 1 ATOM 14049 C C . PRO E 1 25 ? 61.771 -9.440 50.398 1.00 35.89 ? 25 PRO E C 1 ATOM 14050 O O . PRO E 1 25 ? 62.575 -10.307 50.044 1.00 35.50 ? 25 PRO E O 1 ATOM 14051 C CB . PRO E 1 25 ? 61.526 -10.760 52.508 1.00 29.75 ? 25 PRO E CB 1 ATOM 14052 C CG . PRO E 1 25 ? 60.466 -11.723 51.984 1.00 31.22 ? 25 PRO E CG 1 ATOM 14053 C CD . PRO E 1 25 ? 59.197 -10.904 51.935 1.00 26.64 ? 25 PRO E CD 1 ATOM 14054 H HA . PRO E 1 25 ? 61.471 -8.686 52.322 1.00 42.87 ? 25 PRO E HA 1 ATOM 14055 H HB2 . PRO E 1 25 ? 62.417 -11.044 52.250 1.00 35.69 ? 25 PRO E HB2 1 ATOM 14056 H HB3 . PRO E 1 25 ? 61.456 -10.650 53.469 1.00 35.69 ? 25 PRO E HB3 1 ATOM 14057 H HG2 . PRO E 1 25 ? 60.711 -12.031 51.098 1.00 37.45 ? 25 PRO E HG2 1 ATOM 14058 H HG3 . PRO E 1 25 ? 60.370 -12.470 52.595 1.00 37.45 ? 25 PRO E HG3 1 ATOM 14059 H HD2 . PRO E 1 25 ? 58.651 -11.170 51.179 1.00 31.96 ? 25 PRO E HD2 1 ATOM 14060 H HD3 . PRO E 1 25 ? 58.712 -10.980 52.771 1.00 31.96 ? 25 PRO E HD3 1 ATOM 14061 N N . LEU E 1 26 ? 61.383 -8.468 49.588 1.00 21.14 ? 26 LEU E N 1 ATOM 14062 C CA . LEU E 1 26 ? 61.840 -8.452 48.220 1.00 15.22 ? 26 LEU E CA 1 ATOM 14063 C C . LEU E 1 26 ? 63.117 -7.663 48.062 1.00 25.80 ? 26 LEU E C 1 ATOM 14064 O O . LEU E 1 26 ? 63.114 -6.433 48.168 1.00 27.70 ? 26 LEU E O 1 ATOM 14065 C CB . LEU E 1 26 ? 60.746 -7.860 47.306 1.00 26.24 ? 26 LEU E CB 1 ATOM 14066 C CG . LEU E 1 26 ? 61.080 -7.872 45.807 1.00 32.21 ? 26 LEU E CG 1 ATOM 14067 C CD1 . LEU E 1 26 ? 61.260 -9.318 45.288 1.00 33.47 ? 26 LEU E CD1 1 ATOM 14068 C CD2 . LEU E 1 26 ? 59.996 -7.136 45.040 1.00 40.66 ? 26 LEU E CD2 1 ATOM 14069 H H . LEU E 1 26 ? 60.863 -7.818 49.806 1.00 25.35 ? 26 LEU E H 1 ATOM 14070 H HA . LEU E 1 26 ? 62.013 -9.372 47.930 1.00 18.25 ? 26 LEU E HA 1 ATOM 14071 H HB2 . LEU E 1 26 ? 59.930 -8.371 47.428 1.00 31.48 ? 26 LEU E HB2 1 ATOM 14072 H HB3 . LEU E 1 26 ? 60.593 -6.937 47.564 1.00 31.48 ? 26 LEU E HB3 1 ATOM 14073 H HG . LEU E 1 26 ? 61.916 -7.400 45.668 1.00 38.64 ? 26 LEU E HG 1 ATOM 14074 H HD11 . LEU E 1 26 ? 61.468 -9.290 44.351 1.00 40.15 ? 26 LEU E HD11 1 ATOM 14075 H HD12 . LEU E 1 26 ? 61.978 -9.735 45.770 1.00 40.15 ? 26 LEU E HD12 1 ATOM 14076 H HD13 . LEU E 1 26 ? 60.444 -9.804 45.428 1.00 40.15 ? 26 LEU E HD13 1 ATOM 14077 H HD21 . LEU E 1 26 ? 60.213 -7.148 44.105 1.00 48.78 ? 26 LEU E HD21 1 ATOM 14078 H HD22 . LEU E 1 26 ? 59.156 -7.575 45.188 1.00 48.78 ? 26 LEU E HD22 1 ATOM 14079 H HD23 . LEU E 1 26 ? 59.953 -6.230 45.354 1.00 48.78 ? 26 LEU E HD23 1 ATOM 14080 N N . GLU E 1 27 ? 64.198 -8.394 47.788 1.00 25.25 ? 27 GLU E N 1 ATOM 14081 C CA . GLU E 1 27 ? 65.527 -7.835 47.721 1.00 31.18 ? 27 GLU E CA 1 ATOM 14082 C C . GLU E 1 27 ? 66.051 -7.730 46.290 1.00 22.85 ? 27 GLU E C 1 ATOM 14083 O O . GLU E 1 27 ? 66.939 -6.923 46.010 1.00 33.80 ? 27 GLU E O 1 ATOM 14084 C CB . GLU E 1 27 ? 66.442 -8.730 48.565 1.00 33.76 ? 27 GLU E CB 1 ATOM 14085 C CG . GLU E 1 27 ? 65.740 -9.285 49.803 1.00 46.47 ? 27 GLU E CG 1 ATOM 14086 C CD . GLU E 1 27 ? 66.632 -10.185 50.635 1.00 66.75 ? 27 GLU E CD 1 ATOM 14087 O OE1 . GLU E 1 27 ? 67.867 -9.979 50.621 1.00 70.19 ? 27 GLU E OE1 1 ATOM 14088 O OE2 . GLU E 1 27 ? 66.094 -11.098 51.304 1.00 71.62 ? 27 GLU E OE2 1 ATOM 14089 H H . GLU E 1 27 ? 64.176 -9.240 47.634 1.00 30.29 ? 27 GLU E H 1 ATOM 14090 H HA . GLU E 1 27 ? 65.522 -6.938 48.115 1.00 37.41 ? 27 GLU E HA 1 ATOM 14091 H HB2 . GLU E 1 27 ? 66.737 -9.480 48.025 1.00 40.50 ? 27 GLU E HB2 1 ATOM 14092 H HB3 . GLU E 1 27 ? 67.207 -8.212 48.860 1.00 40.50 ? 27 GLU E HB3 1 ATOM 14093 H HG2 . GLU E 1 27 ? 65.455 -8.545 50.362 1.00 55.75 ? 27 GLU E HG2 1 ATOM 14094 H HG3 . GLU E 1 27 ? 64.969 -9.803 49.522 1.00 55.75 ? 27 GLU E HG3 1 ATOM 14095 N N . LYS E 1 28 ? 65.488 -8.528 45.384 1.00 21.56 ? 28 LYS E N 1 ATOM 14096 C CA . LYS E 1 28 ? 65.948 -8.551 43.999 1.00 22.65 ? 28 LYS E CA 1 ATOM 14097 C C . LYS E 1 28 ? 65.018 -7.732 43.114 1.00 17.00 ? 28 LYS E C 1 ATOM 14098 O O . LYS E 1 28 ? 63.835 -7.963 43.119 1.00 22.32 ? 28 LYS E O 1 ATOM 14099 C CB . LYS E 1 28 ? 65.984 -9.994 43.479 1.00 35.09 ? 28 LYS E CB 1 ATOM 14100 C CG . LYS E 1 28 ? 67.079 -10.857 44.137 1.00 48.44 ? 28 LYS E CG 1 ATOM 14101 C CD . LYS E 1 28 ? 66.628 -12.308 44.369 1.00 56.33 ? 28 LYS E CD 1 ATOM 14102 C CE . LYS E 1 28 ? 66.842 -13.206 43.154 1.00 52.32 ? 28 LYS E CE 1 ATOM 14103 N NZ . LYS E 1 28 ? 66.627 -14.655 43.514 1.00 39.82 ? 28 LYS E NZ 1 ATOM 14104 H H . LYS E 1 28 ? 64.837 -9.066 45.547 1.00 25.86 ? 28 LYS E H 1 ATOM 14105 H HA . LYS E 1 28 ? 66.850 -8.173 43.943 1.00 27.17 ? 28 LYS E HA 1 ATOM 14106 H HB2 . LYS E 1 28 ? 65.128 -10.413 43.657 1.00 42.09 ? 28 LYS E HB2 1 ATOM 14107 H HB3 . LYS E 1 28 ? 66.151 -9.978 42.524 1.00 42.09 ? 28 LYS E HB3 1 ATOM 14108 H HG2 . LYS E 1 28 ? 67.859 -10.874 43.560 1.00 58.12 ? 28 LYS E HG2 1 ATOM 14109 H HG3 . LYS E 1 28 ? 67.311 -10.474 44.997 1.00 58.12 ? 28 LYS E HG3 1 ATOM 14110 H HD2 . LYS E 1 28 ? 67.134 -12.680 45.108 1.00 67.59 ? 28 LYS E HD2 1 ATOM 14111 H HD3 . LYS E 1 28 ? 65.682 -12.313 44.581 1.00 67.59 ? 28 LYS E HD3 1 ATOM 14112 H HE2 . LYS E 1 28 ? 66.208 -12.966 42.460 1.00 62.77 ? 28 LYS E HE2 1 ATOM 14113 H HE3 . LYS E 1 28 ? 67.751 -13.103 42.832 1.00 62.77 ? 28 LYS E HE3 1 ATOM 14114 H HZ1 . LYS E 1 28 ? 66.764 -15.209 42.742 1.00 47.77 ? 28 LYS E HZ1 1 ATOM 14115 H HZ2 . LYS E 1 28 ? 67.245 -14.918 44.200 1.00 47.77 ? 28 LYS E HZ2 1 ATOM 14116 H HZ3 . LYS E 1 28 ? 65.731 -14.784 43.835 1.00 47.77 ? 28 LYS E HZ3 1 ATOM 14117 N N . PRO E 1 29 ? 65.575 -6.819 42.325 1.00 18.78 ? 29 PRO E N 1 ATOM 14118 C CA . PRO E 1 29 ? 64.744 -6.077 41.376 1.00 16.01 ? 29 PRO E CA 1 ATOM 14119 C C . PRO E 1 29 ? 63.969 -7.037 40.482 1.00 19.33 ? 29 PRO E C 1 ATOM 14120 O O . PRO E 1 29 ? 64.419 -8.145 40.170 1.00 20.26 ? 29 PRO E O 1 ATOM 14121 C CB . PRO E 1 29 ? 65.746 -5.283 40.582 1.00 17.38 ? 29 PRO E CB 1 ATOM 14122 C CG . PRO E 1 29 ? 66.886 -5.053 41.547 1.00 28.22 ? 29 PRO E CG 1 ATOM 14123 C CD . PRO E 1 29 ? 66.968 -6.350 42.308 1.00 22.16 ? 29 PRO E CD 1 ATOM 14124 H HA . PRO E 1 29 ? 64.127 -5.474 41.841 1.00 19.20 ? 29 PRO E HA 1 ATOM 14125 H HB2 . PRO E 1 29 ? 66.041 -5.798 39.815 1.00 20.84 ? 29 PRO E HB2 1 ATOM 14126 H HB3 . PRO E 1 29 ? 65.353 -4.441 40.304 1.00 20.84 ? 29 PRO E HB3 1 ATOM 14127 H HG2 . PRO E 1 29 ? 67.706 -4.884 41.058 1.00 33.85 ? 29 PRO E HG2 1 ATOM 14128 H HG3 . PRO E 1 29 ? 66.674 -4.315 42.140 1.00 33.85 ? 29 PRO E HG3 1 ATOM 14129 H HD2 . PRO E 1 29 ? 67.533 -6.983 41.838 1.00 26.58 ? 29 PRO E HD2 1 ATOM 14130 H HD3 . PRO E 1 29 ? 67.284 -6.194 43.212 1.00 26.58 ? 29 PRO E HD3 1 ATOM 14131 N N . LEU E 1 30 ? 62.787 -6.600 40.076 1.00 14.70 ? 30 LEU E N 1 ATOM 14132 C CA . LEU E 1 30 ? 61.874 -7.426 39.326 1.00 12.44 ? 30 LEU E CA 1 ATOM 14133 C C . LEU E 1 30 ? 62.007 -7.176 37.845 1.00 13.13 ? 30 LEU E C 1 ATOM 14134 O O . LEU E 1 30 ? 61.869 -6.045 37.382 1.00 12.97 ? 30 LEU E O 1 ATOM 14135 C CB . LEU E 1 30 ? 60.431 -7.116 39.718 1.00 13.40 ? 30 LEU E CB 1 ATOM 14136 C CG . LEU E 1 30 ? 59.953 -7.460 41.104 1.00 21.41 ? 30 LEU E CG 1 ATOM 14137 C CD1 . LEU E 1 30 ? 58.618 -6.791 41.325 1.00 18.76 ? 30 LEU E CD1 1 ATOM 14138 C CD2 . LEU E 1 30 ? 59.867 -8.971 41.216 1.00 23.02 ? 30 LEU E CD2 1 ATOM 14139 H H . LEU E 1 30 ? 62.489 -5.808 40.230 1.00 17.63 ? 30 LEU E H 1 ATOM 14140 H HA . LEU E 1 30 ? 62.056 -8.372 39.506 1.00 14.92 ? 30 LEU E HA 1 ATOM 14141 H HB2 . LEU E 1 30 ? 60.295 -6.162 39.607 1.00 16.07 ? 30 LEU E HB2 1 ATOM 14142 H HB3 . LEU E 1 30 ? 59.851 -7.588 39.100 1.00 16.07 ? 30 LEU E HB3 1 ATOM 14143 H HG . LEU E 1 30 ? 60.584 -7.130 41.762 1.00 25.68 ? 30 LEU E HG 1 ATOM 14144 H HD11 . LEU E 1 30 ? 58.305 -7.005 42.207 1.00 22.50 ? 30 LEU E HD11 1 ATOM 14145 H HD12 . LEU E 1 30 ? 58.726 -5.842 41.236 1.00 22.50 ? 30 LEU E HD12 1 ATOM 14146 H HD13 . LEU E 1 30 ? 57.996 -7.113 40.669 1.00 22.50 ? 30 LEU E HD13 1 ATOM 14147 H HD21 . LEU E 1 30 ? 59.563 -9.201 42.097 1.00 27.61 ? 30 LEU E HD21 1 ATOM 14148 H HD22 . LEU E 1 30 ? 59.248 -9.298 40.560 1.00 27.61 ? 30 LEU E HD22 1 ATOM 14149 H HD23 . LEU E 1 30 ? 60.738 -9.345 41.062 1.00 27.61 ? 30 LEU E HD23 1 ATOM 14150 N N . GLN E 1 31 ? 62.175 -8.252 37.115 1.00 10.75 ? 31 GLN E N 1 ATOM 14151 C CA . GLN E 1 31 ? 62.200 -8.245 35.698 1.00 10.74 ? 31 GLN E CA 1 ATOM 14152 C C . GLN E 1 31 ? 60.829 -8.569 35.123 1.00 11.24 ? 31 GLN E C 1 ATOM 14153 O O . GLN E 1 31 ? 60.462 -8.115 34.050 1.00 13.90 ? 31 GLN E O 1 ATOM 14154 C CB . GLN E 1 31 ? 63.214 -9.294 35.232 1.00 17.70 ? 31 GLN E CB 1 ATOM 14155 C CG . GLN E 1 31 ? 63.749 -9.013 33.883 1.00 24.29 ? 31 GLN E CG 1 ATOM 14156 C CD . GLN E 1 31 ? 64.892 -9.943 33.475 1.00 30.90 ? 31 GLN E CD 1 ATOM 14157 O OE1 . GLN E 1 31 ? 65.391 -10.750 34.268 1.00 21.47 ? 31 GLN E OE1 1 ATOM 14158 N NE2 . GLN E 1 31 ? 65.292 -9.839 32.222 1.00 27.86 ? 31 GLN E NE2 1 ATOM 14159 H H . GLN E 1 31 ? 62.281 -9.037 37.448 1.00 12.89 ? 31 GLN E H 1 ATOM 14160 H HA . GLN E 1 31 ? 62.482 -7.365 35.373 1.00 12.88 ? 31 GLN E HA 1 ATOM 14161 H HB2 . GLN E 1 31 ? 63.959 -9.311 35.852 1.00 21.22 ? 31 GLN E HB2 1 ATOM 14162 H HB3 . GLN E 1 31 ? 62.782 -10.163 35.208 1.00 21.22 ? 31 GLN E HB3 1 ATOM 14163 H HG2 . GLN E 1 31 ? 63.035 -9.117 33.235 1.00 29.13 ? 31 GLN E HG2 1 ATOM 14164 H HG3 . GLN E 1 31 ? 64.084 -8.103 33.862 1.00 29.13 ? 31 GLN E HG3 1 ATOM 14165 H HE21 . GLN E 1 31 ? 65.931 -10.335 31.932 1.00 33.42 ? 31 GLN E HE21 1 ATOM 14166 H HE22 . GLN E 1 31 ? 64.913 -9.274 31.696 1.00 33.42 ? 31 GLN E HE22 1 ATOM 14167 N N . ASN E 1 32 ? 60.104 -9.418 35.849 1.00 9.60 ? 32 ASN E N 1 ATOM 14168 C CA . ASN E 1 32 ? 58.781 -9.925 35.460 1.00 9.58 ? 32 ASN E CA 1 ATOM 14169 C C . ASN E 1 32 ? 57.903 -9.903 36.697 1.00 8.30 ? 32 ASN E C 1 ATOM 14170 O O . ASN E 1 32 ? 58.342 -10.216 37.785 1.00 8.77 ? 32 ASN E O 1 ATOM 14171 C CB . ASN E 1 32 ? 58.801 -11.380 34.971 1.00 10.51 ? 32 ASN E CB 1 ATOM 14172 C CG . ASN E 1 32 ? 59.875 -11.643 33.959 1.00 18.13 ? 32 ASN E CG 1 ATOM 14173 O OD1 . ASN E 1 32 ? 59.825 -11.044 32.880 1.00 19.38 ? 32 ASN E OD1 1 ATOM 14174 N ND2 . ASN E 1 32 ? 60.876 -12.495 34.317 1.00 23.58 ? 32 ASN E ND2 1 ATOM 14175 H H . ASN E 1 32 ? 60.368 -9.730 36.606 1.00 11.51 ? 32 ASN E H 1 ATOM 14176 H HA . ASN E 1 32 ? 58.385 -9.354 34.769 1.00 11.48 ? 32 ASN E HA 1 ATOM 14177 H HB2 . ASN E 1 32 ? 58.955 -11.965 35.729 1.00 12.60 ? 32 ASN E HB2 1 ATOM 14178 H HB3 . ASN E 1 32 ? 57.947 -11.586 34.561 1.00 12.60 ? 32 ASN E HB3 1 ATOM 14179 N N . PHE E 1 33 ? 56.633 -9.545 36.538 1.00 7.47 ? 33 PHE E N 1 ATOM 14180 C CA . PHE E 1 33 ? 55.686 -9.782 37.630 1.00 6.65 ? 33 PHE E CA 1 ATOM 14181 C C . PHE E 1 33 ? 54.257 -9.918 37.095 1.00 7.04 ? 33 PHE E C 1 ATOM 14182 O O . PHE E 1 33 ? 53.936 -9.507 35.982 1.00 6.92 ? 33 PHE E O 1 ATOM 14183 C CB . PHE E 1 33 ? 55.711 -8.691 38.728 1.00 8.27 ? 33 PHE E CB 1 ATOM 14184 C CG . PHE E 1 33 ? 55.120 -7.398 38.296 1.00 6.86 ? 33 PHE E CG 1 ATOM 14185 C CD1 . PHE E 1 33 ? 53.754 -7.189 38.410 1.00 7.82 ? 33 PHE E CD1 1 ATOM 14186 C CD2 . PHE E 1 33 ? 55.879 -6.451 37.695 1.00 8.94 ? 33 PHE E CD2 1 ATOM 14187 C CE1 . PHE E 1 33 ? 53.176 -6.017 37.941 1.00 8.64 ? 33 PHE E CE1 1 ATOM 14188 C CE2 . PHE E 1 33 ? 55.325 -5.240 37.257 1.00 9.05 ? 33 PHE E CE2 1 ATOM 14189 C CZ . PHE E 1 33 ? 53.977 -5.041 37.359 1.00 8.91 ? 33 PHE E CZ 1 ATOM 14190 H H . PHE E 1 33 ? 56.301 -9.176 35.836 1.00 8.95 ? 33 PHE E H 1 ATOM 14191 H HA . PHE E 1 33 ? 55.919 -10.632 38.058 1.00 7.97 ? 33 PHE E HA 1 ATOM 14192 H HB2 . PHE E 1 33 ? 55.208 -9.007 39.495 1.00 9.91 ? 33 PHE E HB2 1 ATOM 14193 H HB3 . PHE E 1 33 ? 56.632 -8.526 38.984 1.00 9.91 ? 33 PHE E HB3 1 ATOM 14194 H HD1 . PHE E 1 33 ? 53.217 -7.850 38.783 1.00 9.37 ? 33 PHE E HD1 1 ATOM 14195 H HD2 . PHE E 1 33 ? 56.795 -6.587 37.615 1.00 10.71 ? 33 PHE E HD2 1 ATOM 14196 H HE1 . PHE E 1 33 ? 52.262 -5.874 38.040 1.00 10.36 ? 33 PHE E HE1 1 ATOM 14197 H HE2 . PHE E 1 33 ? 55.865 -4.596 36.860 1.00 10.85 ? 33 PHE E HE2 1 ATOM 14198 H HZ . PHE E 1 33 ? 53.601 -4.240 37.073 1.00 10.68 ? 33 PHE E HZ 1 ATOM 14199 N N . THR E 1 34 ? 53.407 -10.501 37.946 1.00 6.27 ? 34 THR E N 1 ATOM 14200 C CA . THR E 1 34 ? 51.964 -10.479 37.758 1.00 6.22 ? 34 THR E CA 1 ATOM 14201 C C . THR E 1 34 ? 51.365 -10.150 39.111 1.00 6.27 ? 34 THR E C 1 ATOM 14202 O O . THR E 1 34 ? 51.823 -10.644 40.148 1.00 7.27 ? 34 THR E O 1 ATOM 14203 C CB . THR E 1 34 ? 51.389 -11.841 37.290 1.00 6.93 ? 34 THR E CB 1 ATOM 14204 O OG1 . THR E 1 34 ? 52.032 -12.266 36.080 1.00 7.64 ? 34 THR E OG1 1 ATOM 14205 C CG2 . THR E 1 34 ? 49.914 -11.723 36.963 1.00 7.08 ? 34 THR E CG2 1 ATOM 14206 H H . THR E 1 34 ? 53.654 -10.923 38.654 1.00 7.51 ? 34 THR E H 1 ATOM 14207 H HA . THR E 1 34 ? 51.714 -9.783 37.115 1.00 7.45 ? 34 THR E HA 1 ATOM 14208 H HB . THR E 1 34 ? 51.508 -12.509 37.983 1.00 8.31 ? 34 THR E HB 1 ATOM 14209 H HG1 . THR E 1 34 ? 52.838 -12.349 36.205 1.00 9.15 ? 34 THR E HG1 1 ATOM 14210 H HG21 . THR E 1 34 ? 49.574 -12.573 36.675 1.00 8.48 ? 34 THR E HG21 1 ATOM 14211 H HG22 . THR E 1 34 ? 49.428 -11.439 37.740 1.00 8.48 ? 34 THR E HG22 1 ATOM 14212 H HG23 . THR E 1 34 ? 49.784 -11.081 36.261 1.00 8.48 ? 34 THR E HG23 1 ATOM 14213 N N . LEU E 1 35 ? 50.318 -9.331 39.101 1.00 5.96 ? 35 LEU E N 1 ATOM 14214 C CA . LEU E 1 35 ? 49.588 -8.920 40.293 1.00 5.76 ? 35 LEU E CA 1 ATOM 14215 C C . LEU E 1 35 ? 48.100 -9.118 40.004 1.00 5.91 ? 35 LEU E C 1 ATOM 14216 O O . LEU E 1 35 ? 47.601 -8.630 38.996 1.00 7.80 ? 35 LEU E O 1 ATOM 14217 C CB . LEU E 1 35 ? 49.847 -7.435 40.534 1.00 6.30 ? 35 LEU E CB 1 ATOM 14218 C CG . LEU E 1 35 ? 48.991 -6.789 41.610 1.00 8.38 ? 35 LEU E CG 1 ATOM 14219 C CD1 . LEU E 1 35 ? 49.328 -7.323 43.004 1.00 9.75 ? 35 LEU E CD1 1 ATOM 14220 C CD2 . LEU E 1 35 ? 49.195 -5.252 41.620 1.00 11.64 ? 35 LEU E CD2 1 ATOM 14221 H H . LEU E 1 35 ? 49.999 -8.986 38.381 1.00 7.14 ? 35 LEU E H 1 ATOM 14222 H HA . LEU E 1 35 ? 49.856 -9.445 41.076 1.00 6.90 ? 35 LEU E HA 1 ATOM 14223 H HB2 . LEU E 1 35 ? 50.775 -7.323 40.794 1.00 7.55 ? 35 LEU E HB2 1 ATOM 14224 H HB3 . LEU E 1 35 ? 49.683 -6.956 39.706 1.00 7.55 ? 35 LEU E HB3 1 ATOM 14225 H HG . LEU E 1 35 ? 48.056 -6.972 41.430 1.00 10.04 ? 35 LEU E HG 1 ATOM 14226 H HD11 . LEU E 1 35 ? 48.765 -6.888 43.649 1.00 11.68 ? 35 LEU E HD11 1 ATOM 14227 H HD12 . LEU E 1 35 ? 49.175 -8.270 43.021 1.00 11.68 ? 35 LEU E HD12 1 ATOM 14228 H HD13 . LEU E 1 35 ? 50.250 -7.136 43.196 1.00 11.68 ? 35 LEU E HD13 1 ATOM 14229 H HD21 . LEU E 1 35 ? 48.645 -4.869 42.307 1.00 13.95 ? 35 LEU E HD21 1 ATOM 14230 H HD22 . LEU E 1 35 ? 50.120 -5.061 41.795 1.00 13.95 ? 35 LEU E HD22 1 ATOM 14231 H HD23 . LEU E 1 35 ? 48.944 -4.899 40.763 1.00 13.95 ? 35 LEU E HD23 1 ATOM 14232 N N . CYS E 1 36 ? 47.400 -9.843 40.863 1.00 6.27 ? 36 CYS E N 1 ATOM 14233 C CA . CYS E 1 36 ? 45.929 -10.068 40.721 1.00 8.18 ? 36 CYS E CA 1 ATOM 14234 C C . CYS E 1 36 ? 45.261 -9.689 42.032 1.00 7.01 ? 36 CYS E C 1 ATOM 14235 O O . CYS E 1 36 ? 45.831 -9.899 43.116 1.00 7.76 ? 36 CYS E O 1 ATOM 14236 C CB . CYS E 1 36 ? 45.552 -11.539 40.380 1.00 12.58 ? 36 CYS E CB 1 ATOM 14237 S SG . CYS E 1 36 ? 46.184 -12.247 38.807 1.00 13.43 ? 36 CYS E SG 1 ATOM 14238 H H . CYS E 1 36 ? 47.741 -10.228 41.553 1.00 7.52 ? 36 CYS E H 1 ATOM 14239 H HA . CYS E 1 36 ? 45.578 -9.487 40.015 1.00 9.81 ? 36 CYS E HA 1 ATOM 14240 H HB2 . CYS E 1 36 ? 45.880 -12.105 41.096 1.00 15.09 ? 36 CYS E HB2 1 ATOM 14241 H HB3 . CYS E 1 36 ? 44.584 -11.599 40.347 1.00 15.09 ? 36 CYS E HB3 1 ATOM 14242 N N . PHE E 1 37 ? 44.040 -9.163 41.961 1.00 5.92 ? 37 PHE E N 1 ATOM 14243 C CA . PHE E 1 37 ? 43.246 -8.932 43.172 1.00 6.39 ? 37 PHE E CA 1 ATOM 14244 C C . PHE E 1 37 ? 41.826 -8.630 42.737 1.00 6.53 ? 37 PHE E C 1 ATOM 14245 O O . PHE E 1 37 ? 41.564 -8.389 41.540 1.00 6.73 ? 37 PHE E O 1 ATOM 14246 C CB . PHE E 1 37 ? 43.812 -7.760 44.005 1.00 6.65 ? 37 PHE E CB 1 ATOM 14247 C CG . PHE E 1 37 ? 43.992 -6.492 43.215 1.00 7.13 ? 37 PHE E CG 1 ATOM 14248 C CD1 . PHE E 1 37 ? 45.129 -6.277 42.504 1.00 9.46 ? 37 PHE E CD1 1 ATOM 14249 C CD2 . PHE E 1 37 ? 42.976 -5.547 43.136 1.00 8.25 ? 37 PHE E CD2 1 ATOM 14250 C CE1 . PHE E 1 37 ? 45.279 -5.102 41.706 1.00 10.09 ? 37 PHE E CE1 1 ATOM 14251 C CE2 . PHE E 1 37 ? 43.147 -4.391 42.395 1.00 11.67 ? 37 PHE E CE2 1 ATOM 14252 C CZ . PHE E 1 37 ? 44.264 -4.182 41.693 1.00 10.28 ? 37 PHE E CZ 1 ATOM 14253 H H . PHE E 1 37 ? 43.649 -8.931 41.231 1.00 7.09 ? 37 PHE E H 1 ATOM 14254 H HA . PHE E 1 37 ? 43.242 -9.741 43.725 1.00 7.65 ? 37 PHE E HA 1 ATOM 14255 H HB2 . PHE E 1 37 ? 43.203 -7.572 44.735 1.00 7.96 ? 37 PHE E HB2 1 ATOM 14256 H HB3 . PHE E 1 37 ? 44.679 -8.017 44.357 1.00 7.96 ? 37 PHE E HB3 1 ATOM 14257 H HD1 . PHE E 1 37 ? 45.808 -6.913 42.518 1.00 11.34 ? 37 PHE E HD1 1 ATOM 14258 H HD2 . PHE E 1 37 ? 42.191 -5.674 43.619 1.00 9.88 ? 37 PHE E HD2 1 ATOM 14259 H HE1 . PHE E 1 37 ? 46.066 -4.946 41.235 1.00 12.10 ? 37 PHE E HE1 1 ATOM 14260 H HE2 . PHE E 1 37 ? 42.462 -3.763 42.362 1.00 13.99 ? 37 PHE E HE2 1 ATOM 14261 H HZ . PHE E 1 37 ? 44.355 -3.402 41.194 1.00 12.32 ? 37 PHE E HZ 1 ATOM 14262 N N . ARG E 1 38 ? 40.905 -8.635 43.699 1.00 5.86 ? 38 ARG E N 1 ATOM 14263 C CA . ARG E 1 38 ? 39.527 -8.249 43.457 1.00 4.59 ? 38 ARG E CA 1 ATOM 14264 C C . ARG E 1 38 ? 39.241 -6.968 44.201 1.00 7.21 ? 38 ARG E C 1 ATOM 14265 O O . ARG E 1 38 ? 39.738 -6.764 45.314 1.00 7.73 ? 38 ARG E O 1 ATOM 14266 C CB . ARG E 1 38 ? 38.523 -9.283 43.990 1.00 10.55 ? 38 ARG E CB 1 ATOM 14267 C CG . ARG E 1 38 ? 38.635 -10.605 43.466 1.00 18.02 ? 38 ARG E CG 1 ATOM 14268 C CD . ARG E 1 38 ? 37.559 -11.484 44.155 1.00 13.84 ? 38 ARG E CD 1 ATOM 14269 N NE . ARG E 1 38 ? 38.031 -12.767 43.822 1.00 12.88 ? 38 ARG E NE 1 ATOM 14270 C CZ . ARG E 1 38 ? 37.828 -13.358 42.669 1.00 10.92 ? 38 ARG E CZ 1 ATOM 14271 N NH1 . ARG E 1 38 ? 37.058 -12.794 41.741 1.00 12.70 ? 38 ARG E NH1 1 ATOM 14272 N NH2 . ARG E 1 38 ? 38.367 -14.542 42.454 1.00 17.92 ? 38 ARG E NH2 1 ATOM 14273 H H . ARG E 1 38 ? 41.061 -8.863 44.514 1.00 7.02 ? 38 ARG E H 1 ATOM 14274 H HA . ARG E 1 38 ? 39.374 -8.111 42.499 1.00 5.49 ? 38 ARG E HA 1 ATOM 14275 H HB2 . ARG E 1 38 ? 38.632 -9.344 44.952 1.00 12.65 ? 38 ARG E HB2 1 ATOM 14276 H HB3 . ARG E 1 38 ? 37.627 -8.968 43.789 1.00 12.65 ? 38 ARG E HB3 1 ATOM 14277 H HG2 . ARG E 1 38 ? 38.471 -10.597 42.510 1.00 21.61 ? 38 ARG E HG2 1 ATOM 14278 H HG3 . ARG E 1 38 ? 39.512 -10.967 43.666 1.00 21.61 ? 38 ARG E HG3 1 ATOM 14279 H HD2 . ARG E 1 38 ? 37.566 -11.362 45.117 1.00 16.60 ? 38 ARG E HD2 1 ATOM 14280 H HD3 . ARG E 1 38 ? 36.682 -11.337 43.767 1.00 16.60 ? 38 ARG E HD3 1 ATOM 14281 H HE . ARG E 1 38 ? 38.542 -13.247 44.492 1.00 15.45 ? 38 ARG E HE 1 ATOM 14282 H HH11 . ARG E 1 38 ? 36.716 -12.017 41.880 1.00 15.22 ? 38 ARG E HH11 1 ATOM 14283 H HH12 . ARG E 1 38 ? 36.920 -13.196 40.994 1.00 15.22 ? 38 ARG E HH12 1 ATOM 14284 H HH21 . ARG E 1 38 ? 38.849 -14.912 43.063 1.00 21.49 ? 38 ARG E HH21 1 ATOM 14285 H HH22 . ARG E 1 38 ? 38.216 -14.955 41.715 1.00 21.49 ? 38 ARG E HH22 1 ATOM 14286 N N . ALA E 1 39 ? 38.419 -6.105 43.613 1.00 6.65 ? 39 ALA E N 1 ATOM 14287 C CA . ALA E 1 39 ? 38.088 -4.845 44.262 1.00 6.31 ? 39 ALA E CA 1 ATOM 14288 C C . ALA E 1 39 ? 36.626 -4.509 44.041 1.00 7.39 ? 39 ALA E C 1 ATOM 14289 O O . ALA E 1 39 ? 36.013 -4.843 42.996 1.00 7.66 ? 39 ALA E O 1 ATOM 14290 C CB . ALA E 1 39 ? 38.965 -3.702 43.707 1.00 7.31 ? 39 ALA E CB 1 ATOM 14291 H H . ALA E 1 39 ? 38.044 -6.225 42.849 1.00 7.97 ? 39 ALA E H 1 ATOM 14292 H HA . ALA E 1 39 ? 38.248 -4.921 45.226 1.00 7.56 ? 39 ALA E HA 1 ATOM 14293 H HB1 . ALA E 1 39 ? 38.728 -2.884 44.150 1.00 8.76 ? 39 ALA E HB1 1 ATOM 14294 H HB2 . ALA E 1 39 ? 39.888 -3.908 43.872 1.00 8.76 ? 39 ALA E HB2 1 ATOM 14295 H HB3 . ALA E 1 39 ? 38.811 -3.620 42.763 1.00 8.76 ? 39 ALA E HB3 1 ATOM 14296 N N . TYR E 1 40 ? 36.046 -3.780 44.982 1.00 4.53 ? 40 TYR E N 1 ATOM 14297 C CA . TYR E 1 40 ? 34.656 -3.345 44.876 1.00 4.54 ? 40 TYR E CA 1 ATOM 14298 C C . TYR E 1 40 ? 34.586 -1.944 45.493 1.00 5.47 ? 40 TYR E C 1 ATOM 14299 O O . TYR E 1 40 ? 34.793 -1.765 46.705 1.00 6.53 ? 40 TYR E O 1 ATOM 14300 C CB . TYR E 1 40 ? 33.755 -4.339 45.587 1.00 4.80 ? 40 TYR E CB 1 ATOM 14301 C CG . TYR E 1 40 ? 32.265 -4.147 45.406 1.00 4.83 ? 40 TYR E CG 1 ATOM 14302 C CD1 . TYR E 1 40 ? 31.717 -3.458 44.303 1.00 6.34 ? 40 TYR E CD1 1 ATOM 14303 C CD2 . TYR E 1 40 ? 31.372 -4.685 46.337 1.00 4.56 ? 40 TYR E CD2 1 ATOM 14304 C CE1 . TYR E 1 40 ? 30.295 -3.316 44.175 1.00 4.86 ? 40 TYR E CE1 1 ATOM 14305 C CE2 . TYR E 1 40 ? 29.993 -4.555 46.212 1.00 5.25 ? 40 TYR E CE2 1 ATOM 14306 C CZ . TYR E 1 40 ? 29.460 -3.882 45.143 1.00 5.04 ? 40 TYR E CZ 1 ATOM 14307 O OH . TYR E 1 40 ? 28.107 -3.775 44.996 1.00 7.11 ? 40 TYR E OH 1 ATOM 14308 H H . TYR E 1 40 ? 36.439 -3.519 45.701 1.00 5.42 ? 40 TYR E H 1 ATOM 14309 H HA . TYR E 1 40 ? 34.392 -3.292 43.934 1.00 5.43 ? 40 TYR E HA 1 ATOM 14310 H HB2 . TYR E 1 40 ? 33.972 -5.228 45.266 1.00 5.75 ? 40 TYR E HB2 1 ATOM 14311 H HB3 . TYR E 1 40 ? 33.938 -4.288 46.538 1.00 5.75 ? 40 TYR E HB3 1 ATOM 14312 H HD1 . TYR E 1 40 ? 32.279 -3.087 43.662 1.00 7.59 ? 40 TYR E HD1 1 ATOM 14313 H HD2 . TYR E 1 40 ? 31.713 -5.150 47.067 1.00 5.45 ? 40 TYR E HD2 1 ATOM 14314 H HE1 . TYR E 1 40 ? 29.932 -2.868 43.445 1.00 5.82 ? 40 TYR E HE1 1 ATOM 14315 H HE2 . TYR E 1 40 ? 29.431 -4.934 46.849 1.00 6.29 ? 40 TYR E HE2 1 ATOM 14316 H HH . TYR E 1 40 ? 27.786 -3.375 45.636 1.00 8.52 ? 40 TYR E HH 1 ATOM 14317 N N . SER E 1 41 ? 34.328 -0.954 44.629 1.00 5.89 ? 41 SER E N 1 ATOM 14318 C CA . SER E 1 41 ? 34.268 0.444 45.041 1.00 5.53 ? 41 SER E CA 1 ATOM 14319 C C . SER E 1 41 ? 33.174 1.131 44.272 1.00 6.60 ? 41 SER E C 1 ATOM 14320 O O . SER E 1 41 ? 32.970 0.809 43.086 1.00 8.57 ? 41 SER E O 1 ATOM 14321 C CB . SER E 1 41 ? 35.601 1.138 44.743 1.00 6.40 ? 41 SER E CB 1 ATOM 14322 O OG . SER E 1 41 ? 35.534 2.548 45.026 1.00 6.62 ? 41 SER E OG 1 ATOM 14323 H H . SER E 1 41 ? 34.184 -1.074 43.789 1.00 7.05 ? 41 SER E H 1 ATOM 14324 H HA . SER E 1 41 ? 34.077 0.508 46.001 1.00 6.63 ? 41 SER E HA 1 ATOM 14325 H HB2 . SER E 1 41 ? 36.293 0.739 45.294 1.00 7.67 ? 41 SER E HB2 1 ATOM 14326 H HB3 . SER E 1 41 ? 35.815 1.015 43.804 1.00 7.67 ? 41 SER E HB3 1 ATOM 14327 H HG . SER E 1 41 ? 34.787 2.744 45.301 1.00 7.93 ? 41 SER E HG 1 ATOM 14328 N N . ASP E 1 42 ? 32.492 2.102 44.888 1.00 5.37 ? 42 ASP E N 1 ATOM 14329 C CA . ASP E 1 42 ? 31.557 2.942 44.159 1.00 6.82 ? 42 ASP E CA 1 ATOM 14330 C C . ASP E 1 42 ? 32.016 4.379 43.993 1.00 7.80 ? 42 ASP E C 1 ATOM 14331 O O . ASP E 1 42 ? 31.227 5.261 43.675 1.00 9.09 ? 42 ASP E O 1 ATOM 14332 C CB . ASP E 1 42 ? 30.112 2.821 44.666 1.00 7.47 ? 42 ASP E CB 1 ATOM 14333 C CG . ASP E 1 42 ? 29.925 3.194 46.120 1.00 7.83 ? 42 ASP E CG 1 ATOM 14334 O OD1 . ASP E 1 42 ? 30.771 3.937 46.672 1.00 9.81 ? 42 ASP E OD1 1 ATOM 14335 O OD2 . ASP E 1 42 ? 28.859 2.787 46.704 1.00 8.66 ? 42 ASP E OD2 1 ATOM 14336 H H . ASP E 1 42 ? 32.556 2.289 45.725 1.00 6.43 ? 42 ASP E H 1 ATOM 14337 H HA . ASP E 1 42 ? 31.533 2.582 43.248 1.00 8.18 ? 42 ASP E HA 1 ATOM 14338 H HB2 . ASP E 1 42 ? 29.548 3.407 44.138 1.00 8.95 ? 42 ASP E HB2 1 ATOM 14339 H HB3 . ASP E 1 42 ? 29.822 1.902 44.558 1.00 8.95 ? 42 ASP E HB3 1 ATOM 14340 N N . LEU E 1 43 ? 33.330 4.584 44.077 1.00 6.54 ? 43 LEU E N 1 ATOM 14341 C CA . LEU E 1 43 ? 33.928 5.871 43.709 1.00 6.20 ? 43 LEU E CA 1 ATOM 14342 C C . LEU E 1 43 ? 33.857 6.063 42.198 1.00 6.20 ? 43 LEU E C 1 ATOM 14343 O O . LEU E 1 43 ? 34.130 5.164 41.418 1.00 8.63 ? 43 LEU E O 1 ATOM 14344 C CB . LEU E 1 43 ? 35.389 5.895 44.120 1.00 6.37 ? 43 LEU E CB 1 ATOM 14345 C CG . LEU E 1 43 ? 35.727 5.978 45.619 1.00 7.28 ? 43 LEU E CG 1 ATOM 14346 C CD1 . LEU E 1 43 ? 37.226 5.794 45.804 1.00 8.27 ? 43 LEU E CD1 1 ATOM 14347 C CD2 . LEU E 1 43 ? 35.283 7.301 46.243 1.00 8.86 ? 43 LEU E CD2 1 ATOM 14348 H H . LEU E 1 43 ? 33.898 3.996 44.342 1.00 7.83 ? 43 LEU E H 1 ATOM 14349 H HA . LEU E 1 43 ? 33.454 6.606 44.153 1.00 7.43 ? 43 LEU E HA 1 ATOM 14350 H HB2 . LEU E 1 43 ? 35.805 5.086 43.784 1.00 7.63 ? 43 LEU E HB2 1 ATOM 14351 H HB3 . LEU E 1 43 ? 35.804 6.663 43.696 1.00 7.63 ? 43 LEU E HB3 1 ATOM 14352 H HG . LEU E 1 43 ? 35.275 5.258 46.087 1.00 8.72 ? 43 LEU E HG 1 ATOM 14353 H HD11 . LEU E 1 43 ? 37.434 5.847 46.739 1.00 9.91 ? 43 LEU E HD11 1 ATOM 14354 H HD12 . LEU E 1 43 ? 37.479 4.935 45.459 1.00 9.91 ? 43 LEU E HD12 1 ATOM 14355 H HD13 . LEU E 1 43 ? 37.686 6.488 45.326 1.00 9.91 ? 43 LEU E HD13 1 ATOM 14356 H HD21 . LEU E 1 43 ? 35.517 7.301 47.174 1.00 10.62 ? 43 LEU E HD21 1 ATOM 14357 H HD22 . LEU E 1 43 ? 35.728 8.023 45.794 1.00 10.62 ? 43 LEU E HD22 1 ATOM 14358 H HD23 . LEU E 1 43 ? 34.332 7.390 46.144 1.00 10.62 ? 43 LEU E HD23 1 ATOM 14359 N N . SER E 1 44 ? 33.595 7.309 41.797 1.00 10.25 ? 44 SER E N 1 ATOM 14360 C CA . SER E 1 44 ? 33.745 7.699 40.400 1.00 9.26 ? 44 SER E CA 1 ATOM 14361 C C . SER E 1 44 ? 35.013 8.487 40.133 1.00 8.89 ? 44 SER E C 1 ATOM 14362 O O . SER E 1 44 ? 35.482 8.519 38.984 1.00 12.32 ? 44 SER E O 1 ATOM 14363 C CB . SER E 1 44 ? 32.551 8.541 39.932 1.00 15.04 ? 44 SER E CB 1 ATOM 14364 O OG . SER E 1 44 ? 31.363 7.777 39.898 1.00 20.87 ? 44 SER E OG 1 ATOM 14365 H H . SER E 1 44 ? 33.330 7.942 42.314 1.00 12.29 ? 44 SER E H 1 ATOM 14366 H HA . SER E 1 44 ? 33.775 6.890 39.849 1.00 11.10 ? 44 SER E HA 1 ATOM 14367 H HB2 . SER E 1 44 ? 32.429 9.282 40.546 1.00 18.04 ? 44 SER E HB2 1 ATOM 14368 H HB3 . SER E 1 44 ? 32.733 8.877 39.041 1.00 18.04 ? 44 SER E HB3 1 ATOM 14369 H HG . SER E 1 44 ? 31.517 7.008 40.136 1.00 25.03 ? 44 SER E HG 1 ATOM 14370 N N . ARG E 1 45 ? 35.549 9.143 41.156 1.00 8.62 ? 45 ARG E N 1 ATOM 14371 C CA . ARG E 1 45 ? 36.782 9.849 40.993 1.00 7.26 ? 45 ARG E CA 1 ATOM 14372 C C . ARG E 1 45 ? 37.922 8.858 40.846 1.00 8.43 ? 45 ARG E C 1 ATOM 14373 O O . ARG E 1 45 ? 37.755 7.659 41.025 1.00 9.72 ? 45 ARG E O 1 ATOM 14374 C CB . ARG E 1 45 ? 37.059 10.759 42.188 1.00 8.62 ? 45 ARG E CB 1 ATOM 14375 C CG . ARG E 1 45 ? 37.238 10.043 43.509 1.00 8.96 ? 45 ARG E CG 1 ATOM 14376 C CD . ARG E 1 45 ? 37.979 10.941 44.549 1.00 8.69 ? 45 ARG E CD 1 ATOM 14377 N NE . ARG E 1 45 ? 37.943 10.373 45.893 1.00 8.39 ? 45 ARG E NE 1 ATOM 14378 C CZ . ARG E 1 45 ? 38.674 9.331 46.290 1.00 6.06 ? 45 ARG E CZ 1 ATOM 14379 N NH1 . ARG E 1 45 ? 39.546 8.767 45.461 1.00 7.54 ? 45 ARG E NH1 1 ATOM 14380 N NH2 . ARG E 1 45 ? 38.503 8.855 47.514 1.00 7.70 ? 45 ARG E NH2 1 ATOM 14381 H H . ARG E 1 45 ? 35.211 9.186 41.946 1.00 10.33 ? 45 ARG E H 1 ATOM 14382 H HA . ARG E 1 45 ? 36.741 10.400 40.184 1.00 8.71 ? 45 ARG E HA 1 ATOM 14383 H HB2 . ARG E 1 45 ? 37.872 11.258 42.014 1.00 10.33 ? 45 ARG E HB2 1 ATOM 14384 H HB3 . ARG E 1 45 ? 36.315 11.373 42.287 1.00 10.33 ? 45 ARG E HB3 1 ATOM 14385 H HG2 . ARG E 1 45 ? 36.367 9.815 43.870 1.00 10.74 ? 45 ARG E HG2 1 ATOM 14386 H HG3 . ARG E 1 45 ? 37.764 9.240 43.369 1.00 10.74 ? 45 ARG E HG3 1 ATOM 14387 H HD2 . ARG E 1 45 ? 38.908 11.032 44.285 1.00 10.41 ? 45 ARG E HD2 1 ATOM 14388 H HD3 . ARG E 1 45 ? 37.554 11.812 44.577 1.00 10.41 ? 45 ARG E HD3 1 ATOM 14389 H HE . ARG E 1 45 ? 37.348 10.782 46.541 1.00 10.05 ? 45 ARG E HE 1 ATOM 14390 H HH11 . ARG E 1 45 ? 39.636 9.069 44.661 1.00 9.04 ? 45 ARG E HH11 1 ATOM 14391 H HH12 . ARG E 1 45 ? 40.020 8.100 45.724 1.00 9.04 ? 45 ARG E HH12 1 ATOM 14392 H HH21 . ARG E 1 45 ? 37.946 9.234 48.049 1.00 9.23 ? 45 ARG E HH21 1 ATOM 14393 H HH22 . ARG E 1 45 ? 38.988 8.201 47.792 1.00 9.23 ? 45 ARG E HH22 1 ATOM 14394 N N . ALA E 1 46 ? 39.093 9.354 40.492 1.00 9.46 ? 46 ALA E N 1 ATOM 14395 C CA . ALA E 1 46 ? 40.259 8.521 40.350 1.00 9.20 ? 46 ALA E CA 1 ATOM 14396 C C . ALA E 1 46 ? 40.702 7.947 41.684 1.00 7.77 ? 46 ALA E C 1 ATOM 14397 O O . ALA E 1 46 ? 40.509 8.533 42.743 1.00 9.30 ? 46 ALA E O 1 ATOM 14398 C CB . ALA E 1 46 ? 41.394 9.338 39.766 1.00 12.11 ? 46 ALA E CB 1 ATOM 14399 H H . ALA E 1 46 ? 39.236 10.186 40.327 1.00 11.33 ? 46 ALA E H 1 ATOM 14400 H HA . ALA E 1 46 ? 40.061 7.780 39.740 1.00 11.03 ? 46 ALA E HA 1 ATOM 14401 H HB1 . ALA E 1 46 ? 42.167 8.777 39.674 1.00 14.51 ? 46 ALA E HB1 1 ATOM 14402 H HB2 . ALA E 1 46 ? 41.127 9.673 38.906 1.00 14.51 ? 46 ALA E HB2 1 ATOM 14403 H HB3 . ALA E 1 46 ? 41.588 10.069 40.357 1.00 14.51 ? 46 ALA E HB3 1 ATOM 14404 N N . TYR E 1 47 ? 41.361 6.799 41.631 1.00 7.02 ? 47 TYR E N 1 ATOM 14405 C CA . TYR E 1 47 ? 41.926 6.204 42.831 1.00 7.92 ? 47 TYR E CA 1 ATOM 14406 C C . TYR E 1 47 ? 43.020 5.215 42.508 1.00 6.51 ? 47 TYR E C 1 ATOM 14407 O O . TYR E 1 47 ? 43.063 4.599 41.445 1.00 7.92 ? 47 TYR E O 1 ATOM 14408 C CB . TYR E 1 47 ? 40.869 5.540 43.702 1.00 8.00 ? 47 TYR E CB 1 ATOM 14409 C CG . TYR E 1 47 ? 39.973 4.551 43.037 1.00 6.90 ? 47 TYR E CG 1 ATOM 14410 C CD1 . TYR E 1 47 ? 38.746 4.942 42.552 1.00 8.31 ? 47 TYR E CD1 1 ATOM 14411 C CD2 . TYR E 1 47 ? 40.355 3.217 42.906 1.00 6.67 ? 47 TYR E CD2 1 ATOM 14412 C CE1 . TYR E 1 47 ? 37.844 4.036 41.957 1.00 7.36 ? 47 TYR E CE1 1 ATOM 14413 C CE2 . TYR E 1 47 ? 39.473 2.289 42.348 1.00 7.78 ? 47 TYR E CE2 1 ATOM 14414 C CZ . TYR E 1 47 ? 38.228 2.691 41.886 1.00 6.36 ? 47 TYR E CZ 1 ATOM 14415 O OH . TYR E 1 47 ? 37.359 1.765 41.335 1.00 9.67 ? 47 TYR E OH 1 ATOM 14416 H H . TYR E 1 47 ? 41.495 6.345 40.913 1.00 8.41 ? 47 TYR E H 1 ATOM 14417 H HA . TYR E 1 47 ? 42.331 6.919 43.364 1.00 9.49 ? 47 TYR E HA 1 ATOM 14418 H HB2 . TYR E 1 47 ? 41.321 5.075 44.424 1.00 9.59 ? 47 TYR E HB2 1 ATOM 14419 H HB3 . TYR E 1 47 ? 40.304 6.234 44.074 1.00 9.59 ? 47 TYR E HB3 1 ATOM 14420 H HD1 . TYR E 1 47 ? 38.492 5.833 42.642 1.00 9.96 ? 47 TYR E HD1 1 ATOM 14421 H HD2 . TYR E 1 47 ? 41.170 2.931 43.251 1.00 7.99 ? 47 TYR E HD2 1 ATOM 14422 H HE1 . TYR E 1 47 ? 37.007 4.313 41.661 1.00 8.82 ? 47 TYR E HE1 1 ATOM 14423 H HE2 . TYR E 1 47 ? 39.722 1.396 42.284 1.00 9.32 ? 47 TYR E HE2 1 ATOM 14424 H HH . TYR E 1 47 ? 37.192 1.965 40.557 1.00 11.59 ? 47 TYR E HH 1 ATOM 14425 N N . SER E 1 48 ? 43.928 5.077 43.459 1.00 6.47 ? 48 SER E N 1 ATOM 14426 C CA . SER E 1 48 ? 44.966 4.064 43.427 1.00 5.44 ? 48 SER E CA 1 ATOM 14427 C C . SER E 1 48 ? 44.489 2.725 43.959 1.00 6.28 ? 48 SER E C 1 ATOM 14428 O O . SER E 1 48 ? 43.863 2.650 45.020 1.00 8.29 ? 48 SER E O 1 ATOM 14429 C CB . SER E 1 48 ? 46.162 4.537 44.284 1.00 8.43 ? 48 SER E CB 1 ATOM 14430 O OG . SER E 1 48 ? 47.198 3.615 44.277 1.00 9.45 ? 48 SER E OG 1 ATOM 14431 H H . SER E 1 48 ? 43.964 5.577 44.158 1.00 7.75 ? 48 SER E H 1 ATOM 14432 H HA . SER E 1 48 ? 45.274 3.941 42.505 1.00 6.51 ? 48 SER E HA 1 ATOM 14433 H HB2 . SER E 1 48 ? 46.489 5.378 43.928 1.00 10.10 ? 48 SER E HB2 1 ATOM 14434 H HB3 . SER E 1 48 ? 45.861 4.663 45.198 1.00 10.10 ? 48 SER E HB3 1 ATOM 14435 H HG . SER E 1 48 ? 47.819 3.888 44.738 1.00 11.33 ? 48 SER E HG 1 ATOM 14436 N N . LEU E 1 49 ? 44.826 1.678 43.210 1.00 5.46 ? 49 LEU E N 1 ATOM 14437 C CA . LEU E 1 49 ? 44.547 0.322 43.623 1.00 6.74 ? 49 LEU E CA 1 ATOM 14438 C C . LEU E 1 49 ? 45.720 -0.350 44.327 1.00 4.96 ? 49 LEU E C 1 ATOM 14439 O O . LEU E 1 49 ? 45.535 -1.072 45.285 1.00 7.48 ? 49 LEU E O 1 ATOM 14440 C CB . LEU E 1 49 ? 44.098 -0.506 42.389 1.00 7.48 ? 49 LEU E CB 1 ATOM 14441 C CG . LEU E 1 49 ? 42.678 -0.150 41.899 1.00 9.22 ? 49 LEU E CG 1 ATOM 14442 C CD1 . LEU E 1 49 ? 42.462 -0.592 40.454 1.00 14.11 ? 49 LEU E CD1 1 ATOM 14443 C CD2 . LEU E 1 49 ? 41.662 -0.720 42.877 1.00 11.33 ? 49 LEU E CD2 1 ATOM 14444 H H . LEU E 1 49 ? 45.222 1.736 42.449 1.00 6.54 ? 49 LEU E H 1 ATOM 14445 H HA . LEU E 1 49 ? 43.797 0.339 44.254 1.00 8.08 ? 49 LEU E HA 1 ATOM 14446 H HB2 . LEU E 1 49 ? 44.715 -0.341 41.658 1.00 8.96 ? 49 LEU E HB2 1 ATOM 14447 H HB3 . LEU E 1 49 ? 44.106 -1.447 42.621 1.00 8.96 ? 49 LEU E HB3 1 ATOM 14448 H HG . LEU E 1 49 ? 42.584 0.815 41.920 1.00 11.05 ? 49 LEU E HG 1 ATOM 14449 H HD11 . LEU E 1 49 ? 41.571 -0.355 40.185 1.00 16.92 ? 49 LEU E HD11 1 ATOM 14450 H HD12 . LEU E 1 49 ? 43.103 -0.149 39.893 1.00 16.92 ? 49 LEU E HD12 1 ATOM 14451 H HD13 . LEU E 1 49 ? 42.579 -1.543 40.398 1.00 16.92 ? 49 LEU E HD13 1 ATOM 14452 H HD21 . LEU E 1 49 ? 40.779 -0.499 42.573 1.00 13.58 ? 49 LEU E HD21 1 ATOM 14453 H HD22 . LEU E 1 49 ? 41.767 -1.674 42.915 1.00 13.58 ? 49 LEU E HD22 1 ATOM 14454 H HD23 . LEU E 1 49 ? 41.816 -0.339 43.744 1.00 13.58 ? 49 LEU E HD23 1 ATOM 14455 N N . PHE E 1 50 ? 46.933 -0.105 43.855 1.00 5.39 ? 50 PHE E N 1 ATOM 14456 C CA . PHE E 1 50 ? 48.132 -0.754 44.391 1.00 6.64 ? 50 PHE E CA 1 ATOM 14457 C C . PHE E 1 50 ? 49.317 0.154 44.155 1.00 5.91 ? 50 PHE E C 1 ATOM 14458 O O . PHE E 1 50 ? 49.612 0.464 43.005 1.00 6.20 ? 50 PHE E O 1 ATOM 14459 C CB . PHE E 1 50 ? 48.359 -2.097 43.678 1.00 6.94 ? 50 PHE E CB 1 ATOM 14460 C CG . PHE E 1 50 ? 49.531 -2.907 44.165 1.00 6.58 ? 50 PHE E CG 1 ATOM 14461 C CD1 . PHE E 1 50 ? 49.357 -3.895 45.129 1.00 7.78 ? 50 PHE E CD1 1 ATOM 14462 C CD2 . PHE E 1 50 ? 50.787 -2.726 43.614 1.00 7.29 ? 50 PHE E CD2 1 ATOM 14463 C CE1 . PHE E 1 50 ? 50.423 -4.686 45.514 1.00 7.57 ? 50 PHE E CE1 1 ATOM 14464 C CE2 . PHE E 1 50 ? 51.876 -3.559 44.002 1.00 8.27 ? 50 PHE E CE2 1 ATOM 14465 C CZ . PHE E 1 50 ? 51.661 -4.517 44.947 1.00 7.62 ? 50 PHE E CZ 1 ATOM 14466 H H . PHE E 1 50 ? 47.096 0.442 43.212 1.00 6.46 ? 50 PHE E H 1 ATOM 14467 H HA . PHE E 1 50 ? 48.031 -0.911 45.353 1.00 7.96 ? 50 PHE E HA 1 ATOM 14468 H HB2 . PHE E 1 50 ? 47.564 -2.641 43.789 1.00 8.31 ? 50 PHE E HB2 1 ATOM 14469 H HB3 . PHE E 1 50 ? 48.501 -1.922 42.734 1.00 8.31 ? 50 PHE E HB3 1 ATOM 14470 H HD1 . PHE E 1 50 ? 48.515 -4.041 45.497 1.00 9.32 ? 50 PHE E HD1 1 ATOM 14471 H HD2 . PHE E 1 50 ? 50.908 -2.092 42.945 1.00 8.74 ? 50 PHE E HD2 1 ATOM 14472 H HE1 . PHE E 1 50 ? 50.300 -5.340 46.163 1.00 9.07 ? 50 PHE E HE1 1 ATOM 14473 H HE2 . PHE E 1 50 ? 52.723 -3.431 43.639 1.00 9.91 ? 50 PHE E HE2 1 ATOM 14474 H HZ . PHE E 1 50 ? 52.374 -5.035 45.243 1.00 9.13 ? 50 PHE E HZ 1 ATOM 14475 N N . SER E 1 51 ? 49.971 0.581 45.241 1.00 5.26 ? 51 SER E N 1 ATOM 14476 C CA . SER E 1 51 ? 51.041 1.601 45.187 1.00 5.58 ? 51 SER E CA 1 ATOM 14477 C C . SER E 1 51 ? 52.346 1.044 45.728 1.00 6.29 ? 51 SER E C 1 ATOM 14478 O O . SER E 1 51 ? 52.419 0.658 46.911 1.00 6.99 ? 51 SER E O 1 ATOM 14479 C CB . SER E 1 51 ? 50.587 2.800 46.027 1.00 6.16 ? 51 SER E CB 1 ATOM 14480 O OG . SER E 1 51 ? 51.627 3.765 46.178 1.00 7.23 ? 51 SER E OG 1 ATOM 14481 H H . SER E 1 51 ? 49.813 0.294 46.036 1.00 6.30 ? 51 SER E H 1 ATOM 14482 H HA . SER E 1 51 ? 51.179 1.894 44.262 1.00 6.68 ? 51 SER E HA 1 ATOM 14483 H HB2 . SER E 1 51 ? 49.831 3.221 45.589 1.00 7.38 ? 51 SER E HB2 1 ATOM 14484 H HB3 . SER E 1 51 ? 50.323 2.484 46.906 1.00 7.38 ? 51 SER E HB3 1 ATOM 14485 H HG . SER E 1 51 ? 52.302 3.514 45.786 1.00 8.66 ? 51 SER E HG 1 ATOM 14486 N N . TYR E 1 52 ? 53.368 0.981 44.867 1.00 5.78 ? 52 TYR E N 1 ATOM 14487 C CA . TYR E 1 52 ? 54.670 0.416 45.204 1.00 7.76 ? 52 TYR E CA 1 ATOM 14488 C C . TYR E 1 52 ? 55.706 1.473 44.860 1.00 6.63 ? 52 TYR E C 1 ATOM 14489 O O . TYR E 1 52 ? 55.883 1.852 43.713 1.00 7.50 ? 52 TYR E O 1 ATOM 14490 C CB . TYR E 1 52 ? 54.821 -0.879 44.394 1.00 9.71 ? 52 TYR E CB 1 ATOM 14491 C CG . TYR E 1 52 ? 56.133 -1.641 44.335 1.00 8.27 ? 52 TYR E CG 1 ATOM 14492 C CD1 . TYR E 1 52 ? 56.125 -3.003 44.586 1.00 8.45 ? 52 TYR E CD1 1 ATOM 14493 C CD2 . TYR E 1 52 ? 57.305 -1.039 43.888 1.00 8.09 ? 52 TYR E CD2 1 ATOM 14494 C CE1 . TYR E 1 52 ? 57.260 -3.756 44.447 1.00 7.84 ? 52 TYR E CE1 1 ATOM 14495 C CE2 . TYR E 1 52 ? 58.463 -1.800 43.721 1.00 8.46 ? 52 TYR E CE2 1 ATOM 14496 C CZ . TYR E 1 52 ? 58.429 -3.134 44.005 1.00 9.13 ? 52 TYR E CZ 1 ATOM 14497 O OH . TYR E 1 52 ? 59.580 -3.915 43.887 1.00 11.93 ? 52 TYR E OH 1 ATOM 14498 H H . TYR E 1 52 ? 53.324 1.269 44.058 1.00 6.93 ? 52 TYR E H 1 ATOM 14499 H HA . TYR E 1 52 ? 54.717 0.211 46.161 1.00 9.30 ? 52 TYR E HA 1 ATOM 14500 H HB2 . TYR E 1 52 ? 54.164 -1.505 44.735 1.00 11.63 ? 52 TYR E HB2 1 ATOM 14501 H HB3 . TYR E 1 52 ? 54.593 -0.668 43.475 1.00 11.63 ? 52 TYR E HB3 1 ATOM 14502 H HD1 . TYR E 1 52 ? 55.335 -3.413 44.855 1.00 10.12 ? 52 TYR E HD1 1 ATOM 14503 H HD2 . TYR E 1 52 ? 57.309 -0.135 43.671 1.00 9.70 ? 52 TYR E HD2 1 ATOM 14504 H HE1 . TYR E 1 52 ? 57.252 -4.666 44.639 1.00 9.40 ? 52 TYR E HE1 1 ATOM 14505 H HE2 . TYR E 1 52 ? 59.255 -1.397 43.450 1.00 10.14 ? 52 TYR E HE2 1 ATOM 14506 H HH . TYR E 1 52 ? 60.170 -3.619 44.374 1.00 14.30 ? 52 TYR E HH 1 ATOM 14507 N N . ASN E 1 53 ? 56.332 2.019 45.898 1.00 8.18 ? 53 ASN E N 1 ATOM 14508 C CA . ASN E 1 53 ? 57.369 3.051 45.774 1.00 8.73 ? 53 ASN E CA 1 ATOM 14509 C C . ASN E 1 53 ? 58.680 2.520 46.355 1.00 9.56 ? 53 ASN E C 1 ATOM 14510 O O . ASN E 1 53 ? 58.677 1.650 47.232 1.00 9.93 ? 53 ASN E O 1 ATOM 14511 C CB . ASN E 1 53 ? 56.959 4.321 46.534 1.00 9.02 ? 53 ASN E CB 1 ATOM 14512 C CG . ASN E 1 53 ? 56.102 5.255 45.717 1.00 9.31 ? 53 ASN E CG 1 ATOM 14513 O OD1 . ASN E 1 53 ? 55.537 4.877 44.677 1.00 8.29 ? 53 ASN E OD1 1 ATOM 14514 N ND2 . ASN E 1 53 ? 55.999 6.506 46.164 1.00 8.26 ? 53 ASN E ND2 1 ATOM 14515 H H . ASN E 1 53 ? 56.170 1.802 46.714 1.00 9.81 ? 53 ASN E H 1 ATOM 14516 H HA . ASN E 1 53 ? 57.507 3.275 44.830 1.00 10.47 ? 53 ASN E HA 1 ATOM 14517 H HB2 . ASN E 1 53 ? 56.455 4.066 47.323 1.00 10.81 ? 53 ASN E HB2 1 ATOM 14518 H HB3 . ASN E 1 53 ? 57.760 4.802 46.795 1.00 10.81 ? 53 ASN E HB3 1 ATOM 14519 H HD21 . ASN E 1 53 ? 55.456 7.158 45.674 1.00 9.91 ? 53 ASN E HD21 1 ATOM 14520 H HD22 . ASN E 1 53 ? 56.468 6.774 46.982 1.00 9.91 ? 53 ASN E HD22 1 ATOM 14521 N N . THR E 1 54 ? 59.808 3.072 45.894 1.00 8.09 ? 54 THR E N 1 ATOM 14522 C CA . THR E 1 54 ? 61.077 2.667 46.487 1.00 10.45 ? 54 THR E CA 1 ATOM 14523 C C . THR E 1 54 ? 61.777 3.970 46.859 1.00 10.61 ? 54 THR E C 1 ATOM 14524 O O . THR E 1 54 ? 61.321 5.047 46.529 1.00 12.39 ? 54 THR E O 1 ATOM 14525 C CB . THR E 1 54 ? 61.920 1.763 45.529 1.00 10.46 ? 54 THR E CB 1 ATOM 14526 O OG1 . THR E 1 54 ? 62.264 2.511 44.366 1.00 12.76 ? 54 THR E OG1 1 ATOM 14527 C CG2 . THR E 1 54 ? 61.164 0.506 45.113 1.00 10.16 ? 54 THR E CG2 1 ATOM 14528 H H . THR E 1 54 ? 59.863 3.657 45.266 1.00 9.70 ? 54 THR E H 1 ATOM 14529 H HA . THR E 1 54 ? 60.905 2.165 47.310 1.00 12.53 ? 54 THR E HA 1 ATOM 14530 H HB . THR E 1 54 ? 62.732 1.489 45.983 1.00 12.54 ? 54 THR E HB 1 ATOM 14531 H HG1 . THR E 1 54 ? 62.705 3.169 44.577 1.00 15.29 ? 54 THR E HG1 1 ATOM 14532 H HG21 . THR E 1 54 ? 61.708 -0.025 44.527 1.00 12.18 ? 54 THR E HG21 1 ATOM 14533 H HG22 . THR E 1 54 ? 60.941 -0.014 45.888 1.00 12.18 ? 54 THR E HG22 1 ATOM 14534 H HG23 . THR E 1 54 ? 60.355 0.747 44.655 1.00 12.18 ? 54 THR E HG23 1 ATOM 14535 N N . GLN E 1 55 ? 62.911 3.875 47.558 1.00 13.53 ? 55 GLN E N 1 ATOM 14536 C CA . GLN E 1 55 ? 63.524 5.095 48.071 1.00 15.85 ? 55 GLN E CA 1 ATOM 14537 C C . GLN E 1 55 ? 63.964 5.986 46.918 1.00 14.63 ? 55 GLN E C 1 ATOM 14538 O O . GLN E 1 55 ? 64.705 5.540 46.038 1.00 15.70 ? 55 GLN E O 1 ATOM 14539 C CB . GLN E 1 55 ? 64.721 4.774 48.944 1.00 18.19 ? 55 GLN E CB 1 ATOM 14540 C CG . GLN E 1 55 ? 65.397 6.015 49.502 1.00 21.53 ? 55 GLN E CG 1 ATOM 14541 C CD . GLN E 1 55 ? 64.478 6.837 50.421 1.00 25.98 ? 55 GLN E CD 1 ATOM 14542 O OE1 . GLN E 1 55 ? 63.953 6.327 51.401 1.00 29.23 ? 55 GLN E OE1 1 ATOM 14543 N NE2 . GLN E 1 55 ? 64.296 8.114 50.102 1.00 35.46 ? 55 GLN E NE2 1 ATOM 14544 H H . GLN E 1 55 ? 63.329 3.146 47.741 1.00 16.23 ? 55 GLN E H 1 ATOM 14545 H HA . GLN E 1 55 ? 62.870 5.586 48.611 1.00 19.01 ? 55 GLN E HA 1 ATOM 14546 H HB2 . GLN E 1 55 ? 64.429 4.230 49.692 1.00 21.81 ? 55 GLN E HB2 1 ATOM 14547 H HB3 . GLN E 1 55 ? 65.375 4.288 48.417 1.00 21.81 ? 55 GLN E HB3 1 ATOM 14548 H HG2 . GLN E 1 55 ? 66.173 5.746 50.018 1.00 25.82 ? 55 GLN E HG2 1 ATOM 14549 H HG3 . GLN E 1 55 ? 65.669 6.584 48.765 1.00 25.82 ? 55 GLN E HG3 1 ATOM 14550 H HE21 . GLN E 1 55 ? 63.790 8.611 50.588 1.00 42.54 ? 55 GLN E HE21 1 ATOM 14551 H HE22 . GLN E 1 55 ? 64.685 8.444 49.409 1.00 42.54 ? 55 GLN E HE22 1 ATOM 14552 N N . GLY E 1 56 ? 63.489 7.219 46.934 1.00 14.18 ? 56 GLY E N 1 ATOM 14553 C CA . GLY E 1 56 ? 63.781 8.143 45.861 1.00 15.80 ? 56 GLY E CA 1 ATOM 14554 C C . GLY E 1 56 ? 62.996 7.979 44.568 1.00 15.43 ? 56 GLY E C 1 ATOM 14555 O O . GLY E 1 56 ? 63.209 8.733 43.616 1.00 15.86 ? 56 GLY E O 1 ATOM 14556 H H . GLY E 1 56 ? 62.994 7.544 47.557 1.00 17.00 ? 56 GLY E H 1 ATOM 14557 H HA2 . GLY E 1 56 ? 63.625 9.045 46.182 1.00 18.94 ? 56 GLY E HA2 1 ATOM 14558 H HA3 . GLY E 1 56 ? 64.722 8.069 45.640 1.00 18.94 ? 56 GLY E HA3 1 ATOM 14559 N N . ARG E 1 57 ? 62.057 7.027 44.538 1.00 13.15 ? 57 ARG E N 1 ATOM 14560 C CA . ARG E 1 57 ? 61.339 6.708 43.295 1.00 11.53 ? 57 ARG E CA 1 ATOM 14561 C C . ARG E 1 57 ? 59.834 6.613 43.501 1.00 8.59 ? 57 ARG E C 1 ATOM 14562 O O . ARG E 1 57 ? 59.346 5.640 44.122 1.00 11.94 ? 57 ARG E O 1 ATOM 14563 C CB . ARG E 1 57 ? 61.859 5.416 42.667 1.00 12.08 ? 57 ARG E CB 1 ATOM 14564 C CG . ARG E 1 57 ? 63.371 5.482 42.382 1.00 11.99 ? 57 ARG E CG 1 ATOM 14565 C CD . ARG E 1 57 ? 63.856 4.280 41.615 1.00 12.25 ? 57 ARG E CD 1 ATOM 14566 N NE . ARG E 1 57 ? 63.422 4.288 40.248 1.00 12.06 ? 57 ARG E NE 1 ATOM 14567 C CZ . ARG E 1 57 ? 64.009 4.945 39.248 1.00 12.59 ? 57 ARG E CZ 1 ATOM 14568 N NH1 . ARG E 1 57 ? 65.068 5.722 39.490 1.00 17.48 ? 57 ARG E NH1 1 ATOM 14569 N NH2 . ARG E 1 57 ? 63.525 4.862 38.016 1.00 13.55 ? 57 ARG E NH2 1 ATOM 14570 H H . ARG E 1 57 ? 61.818 6.554 45.215 1.00 15.77 ? 57 ARG E H 1 ATOM 14571 H HA . ARG E 1 57 ? 61.501 7.431 42.653 1.00 13.82 ? 57 ARG E HA 1 ATOM 14572 H HB2 . ARG E 1 57 ? 61.698 4.678 43.276 1.00 14.48 ? 57 ARG E HB2 1 ATOM 14573 H HB3 . ARG E 1 57 ? 61.399 5.263 41.826 1.00 14.48 ? 57 ARG E HB3 1 ATOM 14574 H HG2 . ARG E 1 57 ? 63.561 6.274 41.855 1.00 14.37 ? 57 ARG E HG2 1 ATOM 14575 H HG3 . ARG E 1 57 ? 63.852 5.518 43.224 1.00 14.37 ? 57 ARG E HG3 1 ATOM 14576 H HD2 . ARG E 1 57 ? 64.826 4.270 41.622 1.00 14.69 ? 57 ARG E HD2 1 ATOM 14577 H HD3 . ARG E 1 57 ? 63.512 3.476 42.035 1.00 14.69 ? 57 ARG E HD3 1 ATOM 14578 H HE . ARG E 1 57 ? 62.631 3.769 40.033 1.00 14.46 ? 57 ARG E HE 1 ATOM 14579 H HH11 . ARG E 1 57 ? 65.387 5.778 40.286 1.00 20.96 ? 57 ARG E HH11 1 ATOM 14580 H HH12 . ARG E 1 57 ? 65.441 6.153 38.845 1.00 20.96 ? 57 ARG E HH12 1 ATOM 14581 H HH21 . ARG E 1 57 ? 62.837 4.372 37.856 1.00 16.25 ? 57 ARG E HH21 1 ATOM 14582 H HH22 . ARG E 1 57 ? 63.898 5.301 37.378 1.00 16.25 ? 57 ARG E HH22 1 ATOM 14583 N N . ASP E 1 58 ? 59.131 7.615 43.033 1.00 9.64 ? 58 ASP E N 1 ATOM 14584 C CA . ASP E 1 58 ? 57.654 7.630 43.065 1.00 10.01 ? 58 ASP E CA 1 ATOM 14585 C C . ASP E 1 58 ? 57.130 6.835 41.879 1.00 9.17 ? 58 ASP E C 1 ATOM 14586 O O . ASP E 1 58 ? 57.697 6.825 40.802 1.00 9.75 ? 58 ASP E O 1 ATOM 14587 C CB . ASP E 1 58 ? 57.120 9.063 42.971 1.00 8.84 ? 58 ASP E CB 1 ATOM 14588 C CG . ASP E 1 58 ? 55.619 9.170 43.240 1.00 8.94 ? 58 ASP E CG 1 ATOM 14589 O OD1 . ASP E 1 58 ? 55.149 8.384 44.092 1.00 9.00 ? 58 ASP E OD1 1 ATOM 14590 O OD2 . ASP E 1 58 ? 54.959 10.068 42.670 1.00 12.20 ? 58 ASP E OD2 1 ATOM 14591 H H . ASP E 1 58 ? 59.476 8.320 42.681 1.00 11.55 ? 58 ASP E H 1 ATOM 14592 H HA . ASP E 1 58 ? 57.331 7.220 43.894 1.00 12.00 ? 58 ASP E HA 1 ATOM 14593 H HB2 . ASP E 1 58 ? 57.580 9.613 43.625 1.00 10.60 ? 58 ASP E HB2 1 ATOM 14594 H HB3 . ASP E 1 58 ? 57.287 9.403 42.078 1.00 10.60 ? 58 ASP E HB3 1 ATOM 14595 N N . ASN E 1 59 ? 55.985 6.194 42.087 1.00 7.59 ? 59 ASN E N 1 ATOM 14596 C CA . ASN E 1 59 ? 55.269 5.489 41.047 1.00 7.98 ? 59 ASN E CA 1 ATOM 14597 C C . ASN E 1 59 ? 56.157 4.450 40.385 1.00 7.49 ? 59 ASN E C 1 ATOM 14598 O O . ASN E 1 59 ? 56.153 4.304 39.169 1.00 7.65 ? 59 ASN E O 1 ATOM 14599 C CB . ASN E 1 59 ? 54.644 6.446 40.017 1.00 8.53 ? 59 ASN E CB 1 ATOM 14600 C CG . ASN E 1 59 ? 53.763 7.492 40.653 1.00 8.12 ? 59 ASN E CG 1 ATOM 14601 O OD1 . ASN E 1 59 ? 53.370 7.363 41.815 1.00 8.51 ? 59 ASN E OD1 1 ATOM 14602 N ND2 . ASN E 1 59 ? 53.412 8.516 39.891 1.00 10.39 ? 59 ASN E ND2 1 ATOM 14603 H H . ASN E 1 59 ? 55.594 6.156 42.853 1.00 9.10 ? 59 ASN E H 1 ATOM 14604 H HA . ASN E 1 59 ? 54.529 5.004 41.468 1.00 9.56 ? 59 ASN E HA 1 ATOM 14605 H HB2 . ASN E 1 59 ? 55.354 6.903 39.538 1.00 10.23 ? 59 ASN E HB2 1 ATOM 14606 H HB3 . ASN E 1 59 ? 54.102 5.934 39.397 1.00 10.23 ? 59 ASN E HB3 1 ATOM 14607 H HD21 . ASN E 1 59 ? 52.841 9.224 40.255 1.00 12.46 ? 59 ASN E HD21 1 ATOM 14608 H HD22 . ASN E 1 59 ? 53.725 8.567 38.964 1.00 12.46 ? 59 ASN E HD22 1 ATOM 14609 N N . GLU E 1 60 ? 56.914 3.731 41.200 1.00 7.19 ? 60 GLU E N 1 ATOM 14610 C CA . GLU E 1 60 ? 57.783 2.702 40.707 1.00 6.49 ? 60 GLU E CA 1 ATOM 14611 C C . GLU E 1 60 ? 57.000 1.546 40.115 1.00 8.11 ? 60 GLU E C 1 ATOM 14612 O O . GLU E 1 60 ? 57.362 1.017 39.061 1.00 7.46 ? 60 GLU E O 1 ATOM 14613 C CB . GLU E 1 60 ? 58.724 2.250 41.822 1.00 8.04 ? 60 GLU E CB 1 ATOM 14614 C CG . GLU E 1 60 ? 59.813 1.253 41.392 1.00 9.06 ? 60 GLU E CG 1 ATOM 14615 C CD . GLU E 1 60 ? 60.794 1.782 40.355 1.00 7.88 ? 60 GLU E CD 1 ATOM 14616 O OE1 . GLU E 1 60 ? 60.851 3.000 40.153 1.00 9.65 ? 60 GLU E OE1 1 ATOM 14617 O OE2 . GLU E 1 60 ? 61.488 0.930 39.765 1.00 10.09 ? 60 GLU E OE2 1 ATOM 14618 H H . GLU E 1 60 ? 56.936 3.829 42.054 1.00 8.62 ? 60 GLU E H 1 ATOM 14619 H HA . GLU E 1 60 ? 58.336 3.079 39.991 1.00 7.78 ? 60 GLU E HA 1 ATOM 14620 H HB2 . GLU E 1 60 ? 59.171 3.032 42.184 1.00 9.64 ? 60 GLU E HB2 1 ATOM 14621 H HB3 . GLU E 1 60 ? 58.197 1.826 42.517 1.00 9.64 ? 60 GLU E HB3 1 ATOM 14622 H HG2 . GLU E 1 60 ? 60.324 0.997 42.176 1.00 10.87 ? 60 GLU E HG2 1 ATOM 14623 H HG3 . GLU E 1 60 ? 59.382 0.469 41.015 1.00 10.87 ? 60 GLU E HG3 1 ATOM 14624 N N . LEU E 1 61 ? 55.914 1.164 40.788 1.00 7.10 ? 61 LEU E N 1 ATOM 14625 C CA . LEU E 1 61 ? 54.951 0.206 40.238 1.00 5.58 ? 61 LEU E CA 1 ATOM 14626 C C . LEU E 1 61 ? 53.620 0.654 40.816 1.00 7.05 ? 61 LEU E C 1 ATOM 14627 O O . LEU E 1 61 ? 53.411 0.621 42.011 1.00 8.59 ? 61 LEU E O 1 ATOM 14628 C CB . LEU E 1 61 ? 55.337 -1.227 40.626 1.00 8.14 ? 61 LEU E CB 1 ATOM 14629 C CG . LEU E 1 61 ? 54.614 -2.395 39.956 1.00 7.94 ? 61 LEU E CG 1 ATOM 14630 C CD1 . LEU E 1 61 ? 55.278 -3.647 40.518 1.00 8.93 ? 61 LEU E CD1 1 ATOM 14631 C CD2 . LEU E 1 61 ? 53.129 -2.383 40.240 1.00 10.66 ? 61 LEU E CD2 1 ATOM 14632 H H . LEU E 1 61 ? 55.709 1.448 41.574 1.00 8.51 ? 61 LEU E H 1 ATOM 14633 H HA . LEU E 1 61 ? 54.920 0.280 39.261 1.00 6.68 ? 61 LEU E HA 1 ATOM 14634 H HB2 . LEU E 1 61 ? 56.282 -1.339 40.437 1.00 9.76 ? 61 LEU E HB2 1 ATOM 14635 H HB3 . LEU E 1 61 ? 55.194 -1.322 41.581 1.00 9.76 ? 61 LEU E HB3 1 ATOM 14636 H HG . LEU E 1 61 ? 54.754 -2.366 38.996 1.00 9.51 ? 61 LEU E HG 1 ATOM 14637 H HD11 . LEU E 1 61 ? 54.863 -4.421 40.131 1.00 10.70 ? 61 LEU E HD11 1 ATOM 14638 H HD12 . LEU E 1 61 ? 56.212 -3.630 40.297 1.00 10.70 ? 61 LEU E HD12 1 ATOM 14639 H HD13 . LEU E 1 61 ? 55.167 -3.657 41.472 1.00 10.70 ? 61 LEU E HD13 1 ATOM 14640 H HD21 . LEU E 1 61 ? 52.721 -3.132 39.800 1.00 12.78 ? 61 LEU E HD21 1 ATOM 14641 H HD22 . LEU E 1 61 ? 52.993 -2.446 41.188 1.00 12.78 ? 61 LEU E HD22 1 ATOM 14642 H HD23 . LEU E 1 61 ? 52.754 -1.564 39.909 1.00 12.78 ? 61 LEU E HD23 1 ATOM 14643 N N . LEU E 1 62 ? 52.734 1.147 39.971 1.00 6.10 ? 62 LEU E N 1 ATOM 14644 C CA . LEU E 1 62 ? 51.471 1.684 40.441 1.00 5.74 ? 62 LEU E CA 1 ATOM 14645 C C . LEU E 1 62 ? 50.350 1.196 39.513 1.00 5.21 ? 62 LEU E C 1 ATOM 14646 O O . LEU E 1 62 ? 50.411 1.300 38.280 1.00 6.03 ? 62 LEU E O 1 ATOM 14647 C CB . LEU E 1 62 ? 51.502 3.221 40.473 1.00 7.16 ? 62 LEU E CB 1 ATOM 14648 C CG . LEU E 1 62 ? 50.198 3.984 40.692 1.00 7.19 ? 62 LEU E CG 1 ATOM 14649 C CD1 . LEU E 1 62 ? 49.638 3.688 42.080 1.00 7.42 ? 62 LEU E CD1 1 ATOM 14650 C CD2 . LEU E 1 62 ? 50.401 5.477 40.523 1.00 7.32 ? 62 LEU E CD2 1 ATOM 14651 H H . LEU E 1 62 ? 52.838 1.183 39.118 1.00 7.31 ? 62 LEU E H 1 ATOM 14652 H HA . LEU E 1 62 ? 51.291 1.356 41.347 1.00 6.88 ? 62 LEU E HA 1 ATOM 14653 H HB2 . LEU E 1 62 ? 52.104 3.488 41.185 1.00 8.57 ? 62 LEU E HB2 1 ATOM 14654 H HB3 . LEU E 1 62 ? 51.863 3.525 39.626 1.00 8.57 ? 62 LEU E HB3 1 ATOM 14655 H HG . LEU E 1 62 ? 49.545 3.692 40.036 1.00 8.62 ? 62 LEU E HG 1 ATOM 14656 H HD11 . LEU E 1 62 ? 48.820 4.176 42.197 1.00 8.89 ? 62 LEU E HD11 1 ATOM 14657 H HD12 . LEU E 1 62 ? 49.471 2.746 42.155 1.00 8.89 ? 62 LEU E HD12 1 ATOM 14658 H HD13 . LEU E 1 62 ? 50.280 3.961 42.740 1.00 8.89 ? 62 LEU E HD13 1 ATOM 14659 H HD21 . LEU E 1 62 ? 49.564 5.924 40.667 1.00 8.78 ? 62 LEU E HD21 1 ATOM 14660 H HD22 . LEU E 1 62 ? 51.048 5.778 41.165 1.00 8.78 ? 62 LEU E HD22 1 ATOM 14661 H HD23 . LEU E 1 62 ? 50.716 5.650 39.633 1.00 8.78 ? 62 LEU E HD23 1 ATOM 14662 N N . VAL E 1 63 ? 49.283 0.682 40.119 1.00 5.50 ? 63 VAL E N 1 ATOM 14663 C CA . VAL E 1 63 ? 48.068 0.342 39.387 1.00 5.99 ? 63 VAL E CA 1 ATOM 14664 C C . VAL E 1 63 ? 46.998 1.343 39.824 1.00 5.17 ? 63 VAL E C 1 ATOM 14665 O O . VAL E 1 63 ? 46.678 1.462 41.004 1.00 6.74 ? 63 VAL E O 1 ATOM 14666 C CB . VAL E 1 63 ? 47.600 -1.104 39.696 1.00 6.22 ? 63 VAL E CB 1 ATOM 14667 C CG1 . VAL E 1 63 ? 46.341 -1.438 38.888 1.00 8.17 ? 63 VAL E CG1 1 ATOM 14668 C CG2 . VAL E 1 63 ? 48.693 -2.099 39.401 1.00 10.38 ? 63 VAL E CG2 1 ATOM 14669 H H . VAL E 1 63 ? 49.238 0.520 40.962 1.00 6.58 ? 63 VAL E H 1 ATOM 14670 H HA . VAL E 1 63 ? 48.218 0.433 38.423 1.00 7.17 ? 63 VAL E HA 1 ATOM 14671 H HB . VAL E 1 63 ? 47.377 -1.172 40.648 1.00 7.45 ? 63 VAL E HB 1 ATOM 14672 H HG11 . VAL E 1 63 ? 46.067 -2.335 39.092 1.00 9.79 ? 63 VAL E HG11 1 ATOM 14673 H HG12 . VAL E 1 63 ? 45.645 -0.820 39.125 1.00 9.79 ? 63 VAL E HG12 1 ATOM 14674 H HG13 . VAL E 1 63 ? 46.541 -1.361 37.952 1.00 9.79 ? 63 VAL E HG13 1 ATOM 14675 H HG21 . VAL E 1 63 ? 48.374 -2.982 39.601 1.00 12.44 ? 63 VAL E HG21 1 ATOM 14676 H HG22 . VAL E 1 63 ? 48.928 -2.038 38.472 1.00 12.44 ? 63 VAL E HG22 1 ATOM 14677 H HG23 . VAL E 1 63 ? 49.457 -1.895 39.946 1.00 12.44 ? 63 VAL E HG23 1 ATOM 14678 N N . TYR E 1 64 ? 46.482 2.075 38.861 1.00 6.12 ? 64 TYR E N 1 ATOM 14679 C CA . TYR E 1 64 ? 45.664 3.260 39.128 1.00 6.39 ? 64 TYR E CA 1 ATOM 14680 C C . TYR E 1 64 ? 44.441 3.216 38.251 1.00 6.83 ? 64 TYR E C 1 ATOM 14681 O O . TYR E 1 64 ? 44.511 2.857 37.090 1.00 8.45 ? 64 TYR E O 1 ATOM 14682 C CB . TYR E 1 64 ? 46.506 4.489 38.773 1.00 6.27 ? 64 TYR E CB 1 ATOM 14683 C CG . TYR E 1 64 ? 45.996 5.805 39.312 1.00 6.41 ? 64 TYR E CG 1 ATOM 14684 C CD1 . TYR E 1 64 ? 46.175 6.119 40.652 1.00 8.15 ? 64 TYR E CD1 1 ATOM 14685 C CD2 . TYR E 1 64 ? 45.359 6.729 38.505 1.00 9.88 ? 64 TYR E CD2 1 ATOM 14686 C CE1 . TYR E 1 64 ? 45.713 7.309 41.159 1.00 8.07 ? 64 TYR E CE1 1 ATOM 14687 C CE2 . TYR E 1 64 ? 44.914 7.922 39.027 1.00 10.31 ? 64 TYR E CE2 1 ATOM 14688 C CZ . TYR E 1 64 ? 45.119 8.197 40.355 1.00 8.99 ? 64 TYR E CZ 1 ATOM 14689 O OH . TYR E 1 64 ? 44.687 9.416 40.894 1.00 11.52 ? 64 TYR E OH 1 ATOM 14690 H H . TYR E 1 64 ? 46.588 1.912 38.023 1.00 7.34 ? 64 TYR E H 1 ATOM 14691 H HA . TYR E 1 64 ? 45.399 3.297 40.071 1.00 7.66 ? 64 TYR E HA 1 ATOM 14692 H HB2 . TYR E 1 64 ? 47.401 4.359 39.123 1.00 7.51 ? 64 TYR E HB2 1 ATOM 14693 H HB3 . TYR E 1 64 ? 46.544 4.566 37.807 1.00 7.51 ? 64 TYR E HB3 1 ATOM 14694 H HD1 . TYR E 1 64 ? 46.598 5.512 41.215 1.00 9.77 ? 64 TYR E HD1 1 ATOM 14695 H HD2 . TYR E 1 64 ? 45.233 6.544 37.602 1.00 11.85 ? 64 TYR E HD2 1 ATOM 14696 H HE1 . TYR E 1 64 ? 45.851 7.515 42.055 1.00 9.67 ? 64 TYR E HE1 1 ATOM 14697 H HE2 . TYR E 1 64 ? 44.496 8.547 38.479 1.00 12.36 ? 64 TYR E HE2 1 ATOM 14698 H HH . TYR E 1 64 ? 43.877 9.496 40.794 1.00 13.82 ? 64 TYR E HH 1 ATOM 14699 N N . LYS E 1 65 ? 43.311 3.636 38.776 1.00 7.01 ? 65 LYS E N 1 ATOM 14700 C CA . LYS E 1 65 ? 42.024 3.703 38.067 1.00 6.69 ? 65 LYS E CA 1 ATOM 14701 C C . LYS E 1 65 ? 41.699 5.184 37.850 1.00 8.63 ? 65 LYS E C 1 ATOM 14702 O O . LYS E 1 65 ? 41.250 5.865 38.761 1.00 9.50 ? 65 LYS E O 1 ATOM 14703 C CB . LYS E 1 65 ? 40.945 3.017 38.890 1.00 9.09 ? 65 LYS E CB 1 ATOM 14704 C CG . LYS E 1 65 ? 39.629 2.868 38.156 1.00 10.50 ? 65 LYS E CG 1 ATOM 14705 C CD . LYS E 1 65 ? 39.678 1.628 37.352 1.00 17.02 ? 65 LYS E CD 1 ATOM 14706 C CE . LYS E 1 65 ? 38.385 1.420 36.551 1.00 14.81 ? 65 LYS E CE 1 ATOM 14707 N NZ . LYS E 1 65 ? 37.191 1.457 37.408 1.00 15.82 ? 65 LYS E NZ 1 ATOM 14708 H H . LYS E 1 65 ? 43.250 3.905 39.590 1.00 8.40 ? 65 LYS E H 1 ATOM 14709 H HA . LYS E 1 65 ? 42.095 3.258 37.196 1.00 8.02 ? 65 LYS E HA 1 ATOM 14710 H HB2 . LYS E 1 65 ? 41.253 2.129 39.132 1.00 10.90 ? 65 LYS E HB2 1 ATOM 14711 H HB3 . LYS E 1 65 ? 40.782 3.539 39.691 1.00 10.90 ? 65 LYS E HB3 1 ATOM 14712 H HG2 . LYS E 1 65 ? 38.902 2.799 38.794 1.00 12.59 ? 65 LYS E HG2 1 ATOM 14713 H HG3 . LYS E 1 65 ? 39.497 3.622 37.561 1.00 12.59 ? 65 LYS E HG3 1 ATOM 14714 H HD2 . LYS E 1 65 ? 40.417 1.682 36.725 1.00 20.41 ? 65 LYS E HD2 1 ATOM 14715 H HD3 . LYS E 1 65 ? 39.794 0.868 37.943 1.00 20.41 ? 65 LYS E HD3 1 ATOM 14716 H HE2 . LYS E 1 65 ? 38.304 2.124 35.889 1.00 17.76 ? 65 LYS E HE2 1 ATOM 14717 H HE3 . LYS E 1 65 ? 38.416 0.554 36.115 1.00 17.76 ? 65 LYS E HE3 1 ATOM 14718 H HZ1 . LYS E 1 65 ? 37.241 0.765 38.071 1.00 18.97 ? 65 LYS E HZ1 1 ATOM 14719 H HZ2 . LYS E 1 65 ? 37.130 2.308 37.848 1.00 18.97 ? 65 LYS E HZ2 1 ATOM 14720 H HZ3 . LYS E 1 65 ? 36.402 1.324 36.877 1.00 18.97 ? 65 LYS E HZ3 1 ATOM 14721 N N A GLU E 1 66 ? 41.927 5.780 36.675 0.45 12.28 ? 66 GLU E N 1 ATOM 14722 N N B GLU E 1 66 ? 41.846 5.536 36.569 0.55 12.31 ? 66 GLU E N 1 ATOM 14723 C CA A GLU E 1 66 ? 41.600 7.225 36.571 0.45 12.38 ? 66 GLU E CA 1 ATOM 14724 C CA B GLU E 1 66 ? 41.697 6.875 36.039 0.55 13.20 ? 66 GLU E CA 1 ATOM 14725 C C A GLU E 1 66 ? 40.079 7.458 36.422 0.45 9.81 ? 66 GLU E C 1 ATOM 14726 C C B GLU E 1 66 ? 40.253 7.395 36.170 0.55 10.26 ? 66 GLU E C 1 ATOM 14727 O O A GLU E 1 66 ? 39.571 8.497 36.902 0.45 10.20 ? 66 GLU E O 1 ATOM 14728 O O B GLU E 1 66 ? 39.994 8.527 36.598 0.55 12.76 ? 66 GLU E O 1 ATOM 14729 C CB A GLU E 1 66 ? 42.395 7.938 35.451 0.45 8.73 ? 66 GLU E CB 1 ATOM 14730 C CB B GLU E 1 66 ? 42.110 6.845 34.552 0.55 6.54 ? 66 GLU E CB 1 ATOM 14731 C CG A GLU E 1 66 ? 41.985 9.381 35.164 0.45 13.77 ? 66 GLU E CG 1 ATOM 14732 C CG B GLU E 1 66 ? 43.562 6.423 34.247 0.55 10.29 ? 66 GLU E CG 1 ATOM 14733 C CD A GLU E 1 66 ? 42.312 10.307 36.257 0.45 9.42 ? 66 GLU E CD 1 ATOM 14734 C CD B GLU E 1 66 ? 44.662 7.314 34.887 0.55 13.02 ? 66 GLU E CD 1 ATOM 14735 O OE1 A GLU E 1 66 ? 41.527 11.257 36.482 0.45 26.84 ? 66 GLU E OE1 1 ATOM 14736 O OE1 B GLU E 1 66 ? 44.276 8.391 35.397 0.55 12.32 ? 66 GLU E OE1 1 ATOM 14737 O OE2 A GLU E 1 66 ? 43.350 10.149 36.919 0.45 18.28 ? 66 GLU E OE2 1 ATOM 14738 O OE2 B GLU E 1 66 ? 45.900 6.967 34.876 0.55 10.40 ? 66 GLU E OE2 1 ATOM 14739 H H A GLU E 1 66 ? 42.245 5.411 35.967 0.45 14.72 ? 66 GLU E H 1 ATOM 14740 H H B GLU E 1 66 ? 42.046 4.967 35.956 0.55 14.76 ? 66 GLU E H 1 ATOM 14741 H HA A GLU E 1 66 ? 41.866 7.649 37.414 0.45 14.85 ? 66 GLU E HA 1 ATOM 14742 H HA B GLU E 1 66 ? 42.295 7.487 36.518 0.55 15.83 ? 66 GLU E HA 1 ATOM 14743 H HB2 A GLU E 1 66 ? 43.333 7.946 35.700 0.45 10.46 ? 66 GLU E HB2 1 ATOM 14744 H HB2 B GLU E 1 66 ? 41.527 6.223 34.088 0.55 7.83 ? 66 GLU E HB2 1 ATOM 14745 H HB3 A GLU E 1 66 ? 42.284 7.435 34.629 0.45 10.46 ? 66 GLU E HB3 1 ATOM 14746 H HB3 B GLU E 1 66 ? 41.986 7.734 34.185 0.55 7.83 ? 66 GLU E HB3 1 ATOM 14747 H HG2 A GLU E 1 66 ? 42.445 9.686 34.367 0.45 16.51 ? 66 GLU E HG2 1 ATOM 14748 H HG2 B GLU E 1 66 ? 43.694 5.519 34.573 0.55 12.33 ? 66 GLU E HG2 1 ATOM 14749 H HG3 A GLU E 1 66 ? 41.025 9.413 35.024 0.45 16.51 ? 66 GLU E HG3 1 ATOM 14750 H HG3 B GLU E 1 66 ? 43.693 6.444 33.287 0.55 12.33 ? 66 GLU E HG3 1 ATOM 14751 N N . ARG E 1 67 ? 39.352 6.506 35.821 1.00 10.24 ? 67 ARG E N 1 ATOM 14752 C CA . ARG E 1 67 ? 37.919 6.699 35.640 1.00 9.02 ? 67 ARG E CA 1 ATOM 14753 C C . ARG E 1 67 ? 37.305 5.376 35.238 1.00 9.92 ? 67 ARG E C 1 ATOM 14754 O O . ARG E 1 67 ? 38.033 4.409 34.916 1.00 9.75 ? 67 ARG E O 1 ATOM 14755 C CB . ARG E 1 67 ? 37.623 7.771 34.585 1.00 11.26 ? 67 ARG E CB 1 ATOM 14756 C CG . ARG E 1 67 ? 38.223 7.463 33.219 1.00 13.77 ? 67 ARG E CG 1 ATOM 14757 C CD . ARG E 1 67 ? 37.973 8.596 32.178 1.00 15.47 ? 67 ARG E CD 1 ATOM 14758 N NE . ARG E 1 67 ? 38.525 9.838 32.687 1.00 18.06 ? 67 ARG E NE 1 ATOM 14759 C CZ . ARG E 1 67 ? 39.781 10.217 32.542 1.00 21.84 ? 67 ARG E CZ 1 ATOM 14760 N NH1 . ARG E 1 67 ? 40.170 11.376 33.068 1.00 27.86 ? 67 ARG E NH1 1 ATOM 14761 N NH2 . ARG E 1 67 ? 40.653 9.468 31.876 1.00 23.07 ? 67 ARG E NH2 1 ATOM 14762 H H A ARG E 1 67 ? 39.659 5.762 35.519 0.45 12.28 ? 67 ARG E H 1 ATOM 14763 H H B ARG E 1 67 ? 39.571 5.689 35.666 0.55 12.28 ? 67 ARG E H 1 ATOM 14764 H HA . ARG E 1 67 ? 37.518 6.981 36.489 1.00 10.81 ? 67 ARG E HA 1 ATOM 14765 H HB2 . ARG E 1 67 ? 36.663 7.848 34.478 1.00 13.50 ? 67 ARG E HB2 1 ATOM 14766 H HB3 . ARG E 1 67 ? 37.990 8.617 34.887 1.00 13.50 ? 67 ARG E HB3 1 ATOM 14767 H HG2 . ARG E 1 67 ? 39.181 7.349 33.314 1.00 16.51 ? 67 ARG E HG2 1 ATOM 14768 H HG3 . ARG E 1 67 ? 37.824 6.648 32.877 1.00 16.51 ? 67 ARG E HG3 1 ATOM 14769 H HD2 . ARG E 1 67 ? 38.416 8.377 31.343 1.00 18.55 ? 67 ARG E HD2 1 ATOM 14770 H HD3 . ARG E 1 67 ? 37.020 8.711 32.041 1.00 18.55 ? 67 ARG E HD3 1 ATOM 14771 H HE . ARG E 1 67 ? 37.929 10.433 33.168 1.00 21.66 ? 67 ARG E HE 1 ATOM 14772 H HH11 . ARG E 1 67 ? 39.606 11.864 33.496 1.00 33.42 ? 67 ARG E HH11 1 ATOM 14773 H HH12 . ARG E 1 67 ? 40.983 11.639 32.975 1.00 33.42 ? 67 ARG E HH12 1 ATOM 14774 H HH21 . ARG E 1 67 ? 40.404 8.717 31.538 1.00 27.68 ? 67 ARG E HH21 1 ATOM 14775 H HH22 . ARG E 1 67 ? 41.467 9.731 31.788 1.00 27.68 ? 67 ARG E HH22 1 ATOM 14776 N N . VAL E 1 68 ? 35.986 5.295 35.207 1.00 9.41 ? 68 VAL E N 1 ATOM 14777 C CA . VAL E 1 68 ? 35.317 4.070 34.854 1.00 8.62 ? 68 VAL E CA 1 ATOM 14778 C C . VAL E 1 68 ? 35.871 3.574 33.490 1.00 9.20 ? 68 VAL E C 1 ATOM 14779 O O . VAL E 1 68 ? 36.070 4.374 32.542 1.00 12.04 ? 68 VAL E O 1 ATOM 14780 C CB . VAL E 1 68 ? 33.773 4.220 34.837 1.00 12.16 ? 68 VAL E CB 1 ATOM 14781 C CG1 . VAL E 1 68 ? 33.355 5.326 33.836 1.00 15.41 ? 68 VAL E CG1 1 ATOM 14782 C CG2 . VAL E 1 68 ? 33.121 2.912 34.530 1.00 15.85 ? 68 VAL E CG2 1 ATOM 14783 H H . VAL E 1 68 ? 35.454 5.947 35.389 1.00 11.28 ? 68 VAL E H 1 ATOM 14784 H HA . VAL E 1 68 ? 35.538 3.392 35.526 1.00 10.34 ? 68 VAL E HA 1 ATOM 14785 H HB . VAL E 1 68 ? 33.475 4.499 35.728 1.00 14.58 ? 68 VAL E HB 1 ATOM 14786 H HG11 . VAL E 1 68 ? 32.398 5.404 33.838 1.00 18.48 ? 68 VAL E HG11 1 ATOM 14787 H HG12 . VAL E 1 68 ? 33.753 6.157 34.105 1.00 18.48 ? 68 VAL E HG12 1 ATOM 14788 H HG13 . VAL E 1 68 ? 33.662 5.085 32.958 1.00 18.48 ? 68 VAL E HG13 1 ATOM 14789 H HG21 . VAL E 1 68 ? 32.168 3.031 34.525 1.00 19.01 ? 68 VAL E HG21 1 ATOM 14790 H HG22 . VAL E 1 68 ? 33.418 2.610 33.669 1.00 19.01 ? 68 VAL E HG22 1 ATOM 14791 H HG23 . VAL E 1 68 ? 33.368 2.275 35.204 1.00 19.01 ? 68 VAL E HG23 1 ATOM 14792 N N . GLY E 1 69 ? 36.181 2.277 33.437 1.00 8.41 ? 69 GLY E N 1 ATOM 14793 C CA . GLY E 1 69 ? 36.592 1.659 32.182 1.00 9.73 ? 69 GLY E CA 1 ATOM 14794 C C . GLY E 1 69 ? 38.047 1.871 31.795 1.00 9.58 ? 69 GLY E C 1 ATOM 14795 O O . GLY E 1 69 ? 38.386 1.526 30.674 1.00 11.01 ? 69 GLY E O 1 ATOM 14796 H H . GLY E 1 69 ? 36.161 1.740 34.109 1.00 10.08 ? 69 GLY E H 1 ATOM 14797 H HA2 . GLY E 1 69 ? 36.436 0.703 32.238 1.00 11.67 ? 69 GLY E HA2 1 ATOM 14798 H HA3 . GLY E 1 69 ? 36.040 2.010 31.465 1.00 11.67 ? 69 GLY E HA3 1 ATOM 14799 N N . GLU E 1 70 ? 38.861 2.471 32.650 1.00 7.58 ? 70 GLU E N 1 ATOM 14800 C CA . GLU E 1 70 ? 40.227 2.790 32.282 1.00 8.36 ? 70 GLU E CA 1 ATOM 14801 C C . GLU E 1 70 ? 41.205 2.432 33.382 1.00 7.84 ? 70 GLU E C 1 ATOM 14802 O O . GLU E 1 70 ? 41.116 2.986 34.490 1.00 10.60 ? 70 GLU E O 1 ATOM 14803 C CB . GLU E 1 70 ? 40.367 4.298 31.955 1.00 10.51 ? 70 GLU E CB 1 ATOM 14804 C CG . GLU E 1 70 ? 39.522 4.707 30.778 1.00 15.34 ? 70 GLU E CG 1 ATOM 14805 C CD . GLU E 1 70 ? 39.831 6.137 30.281 1.00 20.89 ? 70 GLU E CD 1 ATOM 14806 O OE1 . GLU E 1 70 ? 40.771 6.771 30.789 1.00 18.90 ? 70 GLU E OE1 1 ATOM 14807 O OE2 . GLU E 1 70 ? 39.116 6.604 29.364 1.00 28.20 ? 70 GLU E OE2 1 ATOM 14808 H H . GLU E 1 70 ? 38.645 2.703 33.449 1.00 9.08 ? 70 GLU E H 1 ATOM 14809 H HA . GLU E 1 70 ? 40.470 2.281 31.481 1.00 10.03 ? 70 GLU E HA 1 ATOM 14810 H HB2 . GLU E 1 70 ? 40.084 4.817 32.724 1.00 12.60 ? 70 GLU E HB2 1 ATOM 14811 H HB3 . GLU E 1 70 ? 41.294 4.492 31.744 1.00 12.60 ? 70 GLU E HB3 1 ATOM 14812 H HG2 . GLU E 1 70 ? 39.686 4.093 30.044 1.00 18.39 ? 70 GLU E HG2 1 ATOM 14813 H HG3 . GLU E 1 70 ? 38.587 4.674 31.034 1.00 18.39 ? 70 GLU E HG3 1 ATOM 14814 N N . TYR E 1 71 ? 42.144 1.541 33.051 1.00 7.05 ? 71 TYR E N 1 ATOM 14815 C CA . TYR E 1 71 ? 43.133 1.042 33.997 1.00 6.50 ? 71 TYR E CA 1 ATOM 14816 C C . TYR E 1 71 ? 44.517 1.454 33.546 1.00 6.65 ? 71 TYR E C 1 ATOM 14817 O O . TYR E 1 71 ? 44.867 1.280 32.382 1.00 7.67 ? 71 TYR E O 1 ATOM 14818 C CB . TYR E 1 71 ? 43.066 -0.490 34.121 1.00 8.61 ? 71 TYR E CB 1 ATOM 14819 C CG . TYR E 1 71 ? 41.765 -0.949 34.740 1.00 9.00 ? 71 TYR E CG 1 ATOM 14820 C CD1 . TYR E 1 71 ? 40.623 -1.140 33.962 1.00 8.69 ? 71 TYR E CD1 1 ATOM 14821 C CD2 . TYR E 1 71 ? 41.677 -1.104 36.092 1.00 10.85 ? 71 TYR E CD2 1 ATOM 14822 C CE1 . TYR E 1 71 ? 39.424 -1.512 34.549 1.00 7.48 ? 71 TYR E CE1 1 ATOM 14823 C CE2 . TYR E 1 71 ? 40.489 -1.490 36.685 1.00 11.86 ? 71 TYR E CE2 1 ATOM 14824 C CZ . TYR E 1 71 ? 39.393 -1.678 35.909 1.00 9.03 ? 71 TYR E CZ 1 ATOM 14825 O OH . TYR E 1 71 ? 38.232 -2.042 36.546 1.00 11.40 ? 71 TYR E OH 1 ATOM 14826 H H . TYR E 1 71 ? 42.226 1.206 32.263 1.00 8.45 ? 71 TYR E H 1 ATOM 14827 H HA . TYR E 1 71 ? 42.966 1.432 34.880 1.00 7.79 ? 71 TYR E HA 1 ATOM 14828 H HB2 . TYR E 1 71 ? 43.137 -0.885 33.238 1.00 10.32 ? 71 TYR E HB2 1 ATOM 14829 H HB3 . TYR E 1 71 ? 43.794 -0.797 34.684 1.00 10.32 ? 71 TYR E HB3 1 ATOM 14830 H HD1 . TYR E 1 71 ? 40.666 -1.015 33.041 1.00 10.42 ? 71 TYR E HD1 1 ATOM 14831 H HD2 . TYR E 1 71 ? 42.431 -0.969 36.620 1.00 13.01 ? 71 TYR E HD2 1 ATOM 14832 H HE1 . TYR E 1 71 ? 38.663 -1.652 34.033 1.00 8.96 ? 71 TYR E HE1 1 ATOM 14833 H HE2 . TYR E 1 71 ? 40.438 -1.603 37.606 1.00 14.22 ? 71 TYR E HE2 1 ATOM 14834 H HH . TYR E 1 71 ? 37.972 -2.766 36.263 1.00 13.66 ? 71 TYR E HH 1 ATOM 14835 N N . SER E 1 72 ? 45.315 1.974 34.474 1.00 5.80 ? 72 SER E N 1 ATOM 14836 C CA . SER E 1 72 ? 46.699 2.346 34.173 1.00 5.49 ? 72 SER E CA 1 ATOM 14837 C C . SER E 1 72 ? 47.699 1.568 34.994 1.00 5.43 ? 72 SER E C 1 ATOM 14838 O O . SER E 1 72 ? 47.480 1.299 36.175 1.00 6.23 ? 72 SER E O 1 ATOM 14839 C CB . SER E 1 72 ? 46.953 3.828 34.428 1.00 9.46 ? 72 SER E CB 1 ATOM 14840 O OG . SER E 1 72 ? 46.106 4.613 33.621 1.00 10.58 ? 72 SER E OG 1 ATOM 14841 H H . SER E 1 72 ? 45.080 2.123 35.287 1.00 6.95 ? 72 SER E H 1 ATOM 14842 H HA . SER E 1 72 ? 46.878 2.167 33.227 1.00 6.57 ? 72 SER E HA 1 ATOM 14843 H HB2 . SER E 1 72 ? 46.776 4.025 35.361 1.00 11.34 ? 72 SER E HB2 1 ATOM 14844 H HB3 . SER E 1 72 ? 47.877 4.033 34.214 1.00 11.34 ? 72 SER E HB3 1 ATOM 14845 H HG . SER E 1 72 ? 46.245 5.409 33.760 1.00 12.69 ? 72 SER E HG 1 ATOM 14846 N N . LEU E 1 73 ? 48.846 1.278 34.373 1.00 6.04 ? 73 LEU E N 1 ATOM 14847 C CA . LEU E 1 73 ? 50.022 0.724 35.042 1.00 6.49 ? 73 LEU E CA 1 ATOM 14848 C C . LEU E 1 73 ? 51.172 1.708 34.841 1.00 5.25 ? 73 LEU E C 1 ATOM 14849 O O . LEU E 1 73 ? 51.447 2.153 33.738 1.00 7.00 ? 73 LEU E O 1 ATOM 14850 C CB . LEU E 1 73 ? 50.422 -0.626 34.464 1.00 5.99 ? 73 LEU E CB 1 ATOM 14851 C CG . LEU E 1 73 ? 51.710 -1.198 35.025 1.00 7.02 ? 73 LEU E CG 1 ATOM 14852 C CD1 . LEU E 1 73 ? 51.521 -1.625 36.448 1.00 8.80 ? 73 LEU E CD1 1 ATOM 14853 C CD2 . LEU E 1 73 ? 52.163 -2.374 34.153 1.00 8.46 ? 73 LEU E CD2 1 ATOM 14854 H H . LEU E 1 73 ? 48.968 1.399 33.531 1.00 7.23 ? 73 LEU E H 1 ATOM 14855 H HA . LEU E 1 73 ? 49.849 0.624 36.001 1.00 7.78 ? 73 LEU E HA 1 ATOM 14856 H HB2 . LEU E 1 73 ? 49.713 -1.263 34.646 1.00 7.17 ? 73 LEU E HB2 1 ATOM 14857 H HB3 . LEU E 1 73 ? 50.536 -0.531 33.505 1.00 7.17 ? 73 LEU E HB3 1 ATOM 14858 H HG . LEU E 1 73 ? 52.401 -0.518 35.000 1.00 8.41 ? 73 LEU E HG 1 ATOM 14859 H HD11 . LEU E 1 73 ? 52.348 -1.983 36.779 1.00 10.54 ? 73 LEU E HD11 1 ATOM 14860 H HD12 . LEU E 1 73 ? 51.261 -0.863 36.971 1.00 10.54 ? 73 LEU E HD12 1 ATOM 14861 H HD13 . LEU E 1 73 ? 50.836 -2.296 36.485 1.00 10.54 ? 73 LEU E HD13 1 ATOM 14862 H HD21 . LEU E 1 73 ? 52.978 -2.733 34.513 1.00 10.14 ? 73 LEU E HD21 1 ATOM 14863 H HD22 . LEU E 1 73 ? 51.479 -3.048 34.158 1.00 10.14 ? 73 LEU E HD22 1 ATOM 14864 H HD23 . LEU E 1 73 ? 52.309 -2.061 33.258 1.00 10.14 ? 73 LEU E HD23 1 ATOM 14865 N N . TYR E 1 74 ? 51.821 2.034 35.945 1.00 5.31 ? 74 TYR E N 1 ATOM 14866 C CA . TYR E 1 74 ? 53.067 2.784 35.920 1.00 6.08 ? 74 TYR E CA 1 ATOM 14867 C C . TYR E 1 74 ? 54.218 1.860 36.286 1.00 6.47 ? 74 TYR E C 1 ATOM 14868 O O . TYR E 1 74 ? 54.144 1.100 37.270 1.00 7.35 ? 74 TYR E O 1 ATOM 14869 C CB . TYR E 1 74 ? 53.023 3.936 36.935 1.00 6.66 ? 74 TYR E CB 1 ATOM 14870 C CG . TYR E 1 74 ? 52.022 5.036 36.715 1.00 8.54 ? 74 TYR E CG 1 ATOM 14871 C CD1 . TYR E 1 74 ? 50.672 4.820 36.824 1.00 9.00 ? 74 TYR E CD1 1 ATOM 14872 C CD2 . TYR E 1 74 ? 52.473 6.317 36.418 1.00 9.80 ? 74 TYR E CD2 1 ATOM 14873 C CE1 . TYR E 1 74 ? 49.753 5.854 36.630 1.00 9.78 ? 74 TYR E CE1 1 ATOM 14874 C CE2 . TYR E 1 74 ? 51.558 7.361 36.250 1.00 12.74 ? 74 TYR E CE2 1 ATOM 14875 C CZ . TYR E 1 74 ? 50.222 7.104 36.346 1.00 13.15 ? 74 TYR E CZ 1 ATOM 14876 O OH . TYR E 1 74 ? 49.266 8.099 36.145 1.00 19.27 ? 74 TYR E OH 1 ATOM 14877 H H . TYR E 1 74 ? 51.557 1.830 36.737 1.00 6.36 ? 74 TYR E H 1 ATOM 14878 H HA . TYR E 1 74 ? 53.221 3.151 35.024 1.00 7.28 ? 74 TYR E HA 1 ATOM 14879 H HB2 . TYR E 1 74 ? 52.837 3.556 37.808 1.00 7.99 ? 74 TYR E HB2 1 ATOM 14880 H HB3 . TYR E 1 74 ? 53.900 4.352 36.951 1.00 7.99 ? 74 TYR E HB3 1 ATOM 14881 H HD1 . TYR E 1 74 ? 50.362 3.965 37.019 1.00 10.79 ? 74 TYR E HD1 1 ATOM 14882 H HD2 . TYR E 1 74 ? 53.385 6.486 36.360 1.00 11.75 ? 74 TYR E HD2 1 ATOM 14883 H HE1 . TYR E 1 74 ? 48.839 5.695 36.696 1.00 11.73 ? 74 TYR E HE1 1 ATOM 14884 H HE2 . TYR E 1 74 ? 51.857 8.215 36.037 1.00 15.28 ? 74 TYR E HE2 1 ATOM 14885 H HH . TYR E 1 74 ? 49.342 8.412 35.391 1.00 23.11 ? 74 TYR E HH 1 ATOM 14886 N N . ILE E 1 75 ? 55.281 1.968 35.508 1.00 6.90 ? 75 ILE E N 1 ATOM 14887 C CA . ILE E 1 75 ? 56.552 1.321 35.792 1.00 7.43 ? 75 ILE E CA 1 ATOM 14888 C C . ILE E 1 75 ? 57.644 2.387 35.764 1.00 7.88 ? 75 ILE E C 1 ATOM 14889 O O . ILE E 1 75 ? 57.863 3.014 34.748 1.00 7.50 ? 75 ILE E O 1 ATOM 14890 C CB . ILE E 1 75 ? 56.876 0.250 34.728 1.00 6.55 ? 75 ILE E CB 1 ATOM 14891 C CG1 . ILE E 1 75 ? 55.802 -0.857 34.683 1.00 7.51 ? 75 ILE E CG1 1 ATOM 14892 C CG2 . ILE E 1 75 ? 58.262 -0.332 34.963 1.00 8.35 ? 75 ILE E CG2 1 ATOM 14893 C CD1 . ILE E 1 75 ? 55.751 -1.749 35.926 1.00 9.33 ? 75 ILE E CD1 1 ATOM 14894 H H . ILE E 1 75 ? 55.292 2.428 34.781 1.00 8.27 ? 75 ILE E H 1 ATOM 14895 H HA . ILE E 1 75 ? 56.530 0.902 36.678 1.00 8.91 ? 75 ILE E HA 1 ATOM 14896 H HB . ILE E 1 75 ? 56.884 0.688 33.863 1.00 7.85 ? 75 ILE E HB 1 ATOM 14897 H HG12 . ILE E 1 75 ? 54.932 -0.440 34.585 1.00 9.00 ? 75 ILE E HG12 1 ATOM 14898 H HG13 . ILE E 1 75 ? 55.978 -1.428 33.919 1.00 9.00 ? 75 ILE E HG13 1 ATOM 14899 H HG21 . ILE E 1 75 ? 58.440 -0.994 34.290 1.00 10.01 ? 75 ILE E HG21 1 ATOM 14900 H HG22 . ILE E 1 75 ? 58.911 0.373 34.908 1.00 10.01 ? 75 ILE E HG22 1 ATOM 14901 H HG23 . ILE E 1 75 ? 58.288 -0.735 35.834 1.00 10.01 ? 75 ILE E HG23 1 ATOM 14902 H HD11 . ILE E 1 75 ? 55.059 -2.405 35.811 1.00 11.18 ? 75 ILE E HD11 1 ATOM 14903 H HD12 . ILE E 1 75 ? 56.600 -2.184 36.033 1.00 11.18 ? 75 ILE E HD12 1 ATOM 14904 H HD13 . ILE E 1 75 ? 55.563 -1.205 36.694 1.00 11.18 ? 75 ILE E HD13 1 ATOM 14905 N N . GLY E 1 76 ? 58.314 2.596 36.888 1.00 7.46 ? 76 GLY E N 1 ATOM 14906 C CA . GLY E 1 76 ? 59.352 3.626 36.915 1.00 7.89 ? 76 GLY E CA 1 ATOM 14907 C C . GLY E 1 76 ? 58.846 4.972 36.450 1.00 8.43 ? 76 GLY E C 1 ATOM 14908 O O . GLY E 1 76 ? 59.552 5.669 35.705 1.00 9.22 ? 76 GLY E O 1 ATOM 14909 H H . GLY E 1 76 ? 58.197 2.173 37.627 1.00 8.94 ? 76 GLY E H 1 ATOM 14910 H HA2 . GLY E 1 76 ? 59.689 3.721 37.820 1.00 9.46 ? 76 GLY E HA2 1 ATOM 14911 H HA3 . GLY E 1 76 ? 60.087 3.359 36.341 1.00 9.46 ? 76 GLY E HA3 1 ATOM 14912 N N . ARG E 1 77 ? 57.650 5.374 36.883 1.00 9.95 ? 77 ARG E N 1 ATOM 14913 C CA . ARG E 1 77 ? 57.039 6.665 36.564 1.00 8.70 ? 77 ARG E CA 1 ATOM 14914 C C . ARG E 1 77 ? 56.383 6.711 35.189 1.00 8.87 ? 77 ARG E C 1 ATOM 14915 O O . ARG E 1 77 ? 55.556 7.608 34.930 1.00 12.84 ? 77 ARG E O 1 ATOM 14916 C CB . ARG E 1 77 ? 58.009 7.881 36.612 1.00 13.82 ? 77 ARG E CB 1 ATOM 14917 C CG . ARG E 1 77 ? 58.835 8.018 37.855 1.00 18.05 ? 77 ARG E CG 1 ATOM 14918 C CD . ARG E 1 77 ? 59.863 9.213 37.726 1.00 22.87 ? 77 ARG E CD 1 ATOM 14919 N NE . ARG E 1 77 ? 60.475 9.321 36.398 1.00 21.66 ? 77 ARG E NE 1 ATOM 14920 C CZ . ARG E 1 77 ? 61.625 8.757 36.012 1.00 26.86 ? 77 ARG E CZ 1 ATOM 14921 N NH1 . ARG E 1 77 ? 62.071 8.909 34.767 1.00 33.07 ? 77 ARG E NH1 1 ATOM 14922 N NH2 . ARG E 1 77 ? 62.340 8.054 36.854 1.00 18.99 ? 77 ARG E NH2 1 ATOM 14923 H H . ARG E 1 77 ? 57.151 4.890 37.389 1.00 11.92 ? 77 ARG E H 1 ATOM 14924 H HA . ARG E 1 77 ? 56.335 6.834 37.224 1.00 10.42 ? 77 ARG E HA 1 ATOM 14925 H HB2 . ARG E 1 77 ? 58.622 7.811 35.864 1.00 16.57 ? 77 ARG E HB2 1 ATOM 14926 H HB3 . ARG E 1 77 ? 57.484 8.692 36.523 1.00 16.57 ? 77 ARG E HB3 1 ATOM 14927 H HG2 . ARG E 1 77 ? 58.252 8.197 38.609 1.00 21.64 ? 77 ARG E HG2 1 ATOM 14928 H HG3 . ARG E 1 77 ? 59.335 7.200 38.000 1.00 21.64 ? 77 ARG E HG3 1 ATOM 14929 H HD2 . ARG E 1 77 ? 59.400 10.045 37.909 1.00 27.44 ? 77 ARG E HD2 1 ATOM 14930 H HD3 . ARG E 1 77 ? 60.575 9.084 38.372 1.00 27.44 ? 77 ARG E HD3 1 ATOM 14931 H HE . ARG E 1 77 ? 60.003 9.852 35.737 1.00 25.98 ? 77 ARG E HE 1 ATOM 14932 H HH11 . ARG E 1 77 ? 61.619 9.373 34.202 1.00 39.67 ? 77 ARG E HH11 1 ATOM 14933 H HH12 . ARG E 1 77 ? 62.818 8.553 34.531 1.00 39.67 ? 77 ARG E HH12 1 ATOM 14934 H HH21 . ARG E 1 77 ? 62.065 7.940 37.661 1.00 22.78 ? 77 ARG E HH21 1 ATOM 14935 H HH22 . ARG E 1 77 ? 63.080 7.699 36.598 1.00 22.78 ? 77 ARG E HH22 1 ATOM 14936 N N . HIS E 1 78 ? 56.757 5.830 34.268 1.00 8.03 ? 78 HIS E N 1 ATOM 14937 C CA . HIS E 1 78 ? 56.168 5.842 32.935 1.00 8.42 ? 78 HIS E CA 1 ATOM 14938 C C . HIS E 1 78 ? 54.803 5.132 33.023 1.00 8.17 ? 78 HIS E C 1 ATOM 14939 O O . HIS E 1 78 ? 54.651 4.256 33.861 1.00 8.83 ? 78 HIS E O 1 ATOM 14940 C CB . HIS E 1 78 ? 57.030 5.107 31.926 1.00 8.04 ? 78 HIS E CB 1 ATOM 14941 C CG . HIS E 1 78 ? 58.361 5.737 31.655 1.00 10.84 ? 78 HIS E CG 1 ATOM 14942 N ND1 . HIS E 1 78 ? 59.120 5.385 30.555 1.00 15.11 ? 78 HIS E ND1 1 ATOM 14943 C CD2 . HIS E 1 78 ? 59.091 6.630 32.360 1.00 11.73 ? 78 HIS E CD2 1 ATOM 14944 C CE1 . HIS E 1 78 ? 60.261 6.059 30.585 1.00 14.85 ? 78 HIS E CE1 1 ATOM 14945 N NE2 . HIS E 1 78 ? 60.251 6.851 31.648 1.00 14.36 ? 78 HIS E NE2 1 ATOM 14946 H H . HIS E 1 78 ? 57.349 5.217 34.388 1.00 9.63 ? 78 HIS E H 1 ATOM 14947 H HA . HIS E 1 78 ? 56.032 6.764 32.633 1.00 10.10 ? 78 HIS E HA 1 ATOM 14948 H HB2 . HIS E 1 78 ? 57.193 4.209 32.255 1.00 9.63 ? 78 HIS E HB2 1 ATOM 14949 H HB3 . HIS E 1 78 ? 56.551 5.063 31.084 1.00 9.63 ? 78 HIS E HB3 1 ATOM 14950 H HD1 . HIS E 1 78 ? 58.892 4.814 29.952 1.00 18.12 ? 78 HIS E HD1 1 ATOM 14951 H HD2 . HIS E 1 78 ? 58.834 7.058 33.145 1.00 14.06 ? 78 HIS E HD2 1 ATOM 14952 H HE1 . HIS E 1 78 ? 60.933 6.020 29.943 1.00 17.81 ? 78 HIS E HE1 1 ATOM 14953 N N . LYS E 1 79 ? 53.843 5.466 32.165 1.00 7.85 ? 79 LYS E N 1 ATOM 14954 C CA . LYS E 1 79 ? 52.556 4.817 32.282 1.00 9.85 ? 79 LYS E CA 1 ATOM 14955 C C . LYS E 1 79 ? 51.994 4.347 30.945 1.00 10.53 ? 79 LYS E C 1 ATOM 14956 O O . LYS E 1 79 ? 52.316 4.846 29.869 1.00 9.89 ? 79 LYS E O 1 ATOM 14957 C CB . LYS E 1 79 ? 51.573 5.717 32.998 1.00 19.33 ? 79 LYS E CB 1 ATOM 14958 C CG . LYS E 1 79 ? 50.921 6.664 32.122 1.00 17.26 ? 79 LYS E CG 1 ATOM 14959 C CD . LYS E 1 79 ? 49.748 7.275 32.918 1.00 31.24 ? 79 LYS E CD 1 ATOM 14960 C CE . LYS E 1 79 ? 48.896 8.268 32.188 1.00 44.79 ? 79 LYS E CE 1 ATOM 14961 N NZ . LYS E 1 79 ? 47.837 8.738 33.158 1.00 40.82 ? 79 LYS E NZ 1 ATOM 14962 H H . LYS E 1 79 ? 53.911 6.044 31.532 1.00 9.40 ? 79 LYS E H 1 ATOM 14963 H HA . LYS E 1 79 ? 52.671 4.018 32.839 1.00 11.81 ? 79 LYS E HA 1 ATOM 14964 H HB2 . LYS E 1 79 ? 50.886 5.169 33.408 1.00 23.18 ? 79 LYS E HB2 1 ATOM 14965 H HB3 . LYS E 1 79 ? 52.046 6.219 33.680 1.00 23.18 ? 79 LYS E HB3 1 ATOM 14966 H HG2 . LYS E 1 79 ? 51.538 7.369 31.872 1.00 20.70 ? 79 LYS E HG2 1 ATOM 14967 H HG3 . LYS E 1 79 ? 50.571 6.210 31.339 1.00 20.70 ? 79 LYS E HG3 1 ATOM 14968 H HD2 . LYS E 1 79 ? 49.168 6.554 33.206 1.00 37.48 ? 79 LYS E HD2 1 ATOM 14969 H HD3 . LYS E 1 79 ? 50.112 7.726 33.696 1.00 37.48 ? 79 LYS E HD3 1 ATOM 14970 H HE2 . LYS E 1 79 ? 49.431 9.028 31.909 1.00 53.74 ? 79 LYS E HE2 1 ATOM 14971 H HE3 . LYS E 1 79 ? 48.466 7.845 31.428 1.00 53.74 ? 79 LYS E HE3 1 ATOM 14972 H HZ1 . LYS E 1 79 ? 47.308 7.992 33.452 1.00 48.98 ? 79 LYS E HZ1 1 ATOM 14973 H HZ2 . LYS E 1 79 ? 48.250 9.147 33.922 1.00 48.98 ? 79 LYS E HZ2 1 ATOM 14974 H HZ3 . LYS E 1 79 ? 47.263 9.379 32.732 1.00 48.98 ? 79 LYS E HZ3 1 ATOM 14975 N N . VAL E 1 80 ? 51.157 3.328 31.058 1.00 7.43 ? 80 VAL E N 1 ATOM 14976 C CA . VAL E 1 80 ? 50.270 2.893 29.990 1.00 6.28 ? 80 VAL E CA 1 ATOM 14977 C C . VAL E 1 80 ? 48.859 2.779 30.539 1.00 6.38 ? 80 VAL E C 1 ATOM 14978 O O . VAL E 1 80 ? 48.668 2.611 31.761 1.00 7.15 ? 80 VAL E O 1 ATOM 14979 C CB . VAL E 1 80 ? 50.680 1.536 29.383 1.00 7.31 ? 80 VAL E CB 1 ATOM 14980 C CG1 . VAL E 1 80 ? 52.049 1.671 28.635 1.00 10.15 ? 80 VAL E CG1 1 ATOM 14981 C CG2 . VAL E 1 80 ? 50.720 0.443 30.440 1.00 7.98 ? 80 VAL E CG2 1 ATOM 14982 H H . VAL E 1 80 ? 51.081 2.855 31.772 1.00 8.90 ? 80 VAL E H 1 ATOM 14983 H HA . VAL E 1 80 ? 50.270 3.563 29.275 1.00 7.53 ? 80 VAL E HA 1 ATOM 14984 H HB . VAL E 1 80 ? 50.008 1.277 28.719 1.00 8.76 ? 80 VAL E HB 1 ATOM 14985 H HG11 . VAL E 1 80 ? 52.288 0.818 28.265 1.00 12.16 ? 80 VAL E HG11 1 ATOM 14986 H HG12 . VAL E 1 80 ? 51.959 2.319 27.933 1.00 12.16 ? 80 VAL E HG12 1 ATOM 14987 H HG13 . VAL E 1 80 ? 52.719 1.956 29.261 1.00 12.16 ? 80 VAL E HG13 1 ATOM 14988 H HG21 . VAL E 1 80 ? 50.978 -0.383 30.025 1.00 9.56 ? 80 VAL E HG21 1 ATOM 14989 H HG22 . VAL E 1 80 ? 51.358 0.685 31.115 1.00 9.56 ? 80 VAL E HG22 1 ATOM 14990 H HG23 . VAL E 1 80 ? 49.847 0.355 30.830 1.00 9.56 ? 80 VAL E HG23 1 ATOM 14991 N N . THR E 1 81 ? 47.880 2.888 29.644 1.00 6.46 ? 81 THR E N 1 ATOM 14992 C CA . THR E 1 81 ? 46.478 2.784 30.025 1.00 7.06 ? 81 THR E CA 1 ATOM 14993 C C . THR E 1 81 ? 45.748 1.951 28.991 1.00 7.27 ? 81 THR E C 1 ATOM 14994 O O . THR E 1 81 ? 45.982 2.113 27.788 1.00 8.91 ? 81 THR E O 1 ATOM 14995 C CB . THR E 1 81 ? 45.845 4.187 30.022 1.00 8.69 ? 81 THR E CB 1 ATOM 14996 O OG1 . THR E 1 81 ? 46.593 5.058 30.900 1.00 9.86 ? 81 THR E OG1 1 ATOM 14997 C CG2 . THR E 1 81 ? 44.377 4.185 30.458 1.00 10.57 ? 81 THR E CG2 1 ATOM 14998 H H . THR E 1 81 ? 48.005 3.024 28.804 1.00 7.74 ? 81 THR E H 1 ATOM 14999 H HA . THR E 1 81 ? 46.384 2.376 30.911 1.00 8.46 ? 81 THR E HA 1 ATOM 15000 H HB . THR E 1 81 ? 45.884 4.544 29.121 1.00 10.42 ? 81 THR E HB 1 ATOM 15001 H HG1 . THR E 1 81 ? 46.585 4.761 31.664 1.00 11.81 ? 81 THR E HG1 1 ATOM 15002 H HG21 . THR E 1 81 ? 44.029 5.079 30.440 1.00 12.68 ? 81 THR E HG21 1 ATOM 15003 H HG22 . THR E 1 81 ? 43.860 3.636 29.864 1.00 12.68 ? 81 THR E HG22 1 ATOM 15004 H HG23 . THR E 1 81 ? 44.301 3.838 31.350 1.00 12.68 ? 81 THR E HG23 1 ATOM 15005 N N . SER E 1 82 ? 44.867 1.078 29.441 1.00 7.93 ? 82 SER E N 1 ATOM 15006 C CA . SER E 1 82 ? 43.978 0.333 28.559 1.00 6.47 ? 82 SER E CA 1 ATOM 15007 C C . SER E 1 82 ? 42.527 0.414 29.033 1.00 7.71 ? 82 SER E C 1 ATOM 15008 O O . SER E 1 82 ? 42.241 0.628 30.227 1.00 8.53 ? 82 SER E O 1 ATOM 15009 C CB . SER E 1 82 ? 44.452 -1.093 28.357 1.00 11.14 ? 82 SER E CB 1 ATOM 15010 O OG . SER E 1 82 ? 45.569 -1.065 27.459 1.00 13.35 ? 82 SER E OG 1 ATOM 15011 H H . SER E 1 82 ? 44.759 0.892 30.274 1.00 9.50 ? 82 SER E H 1 ATOM 15012 H HA . SER E 1 82 ? 44.008 0.763 27.679 1.00 7.75 ? 82 SER E HA 1 ATOM 15013 H HB2 . SER E 1 82 ? 44.728 -1.467 29.208 1.00 13.36 ? 82 SER E HB2 1 ATOM 15014 H HB3 . SER E 1 82 ? 43.736 -1.620 27.969 1.00 13.36 ? 82 SER E HB3 1 ATOM 15015 H HG . SER E 1 82 ? 45.846 -1.826 27.332 1.00 16.01 ? 82 SER E HG 1 ATOM 15016 N N A LYS E 1 83 ? 41.607 0.244 28.090 0.48 7.00 ? 83 LYS E N 1 ATOM 15017 N N B LYS E 1 83 ? 41.620 0.271 28.063 0.52 7.09 ? 83 LYS E N 1 ATOM 15018 C CA A LYS E 1 83 ? 40.187 0.458 28.345 0.48 6.70 ? 83 LYS E CA 1 ATOM 15019 C CA B LYS E 1 83 ? 40.182 0.495 28.233 0.52 7.23 ? 83 LYS E CA 1 ATOM 15020 C C A LYS E 1 83 ? 39.385 -0.810 28.220 0.48 7.06 ? 83 LYS E C 1 ATOM 15021 C C B LYS E 1 83 ? 39.409 -0.829 28.258 0.52 7.21 ? 83 LYS E C 1 ATOM 15022 O O A LYS E 1 83 ? 39.758 -1.750 27.494 0.48 6.96 ? 83 LYS E O 1 ATOM 15023 O O B LYS E 1 83 ? 39.839 -1.848 27.682 0.52 7.37 ? 83 LYS E O 1 ATOM 15024 C CB A LYS E 1 83 ? 39.648 1.488 27.368 0.48 7.24 ? 83 LYS E CB 1 ATOM 15025 C CB B LYS E 1 83 ? 39.666 1.373 27.079 0.52 8.02 ? 83 LYS E CB 1 ATOM 15026 C CG A LYS E 1 83 ? 40.290 2.832 27.516 0.48 8.62 ? 83 LYS E CG 1 ATOM 15027 C CG B LYS E 1 83 ? 40.367 2.732 26.872 0.52 11.20 ? 83 LYS E CG 1 ATOM 15028 C CD A LYS E 1 83 ? 39.693 3.845 26.539 0.48 9.75 ? 83 LYS E CD 1 ATOM 15029 C CD B LYS E 1 83 ? 39.690 3.543 25.699 0.52 13.69 ? 83 LYS E CD 1 ATOM 15030 C CE A LYS E 1 83 ? 40.375 5.204 26.648 0.48 13.83 ? 83 LYS E CE 1 ATOM 15031 C CE B LYS E 1 83 ? 40.488 4.822 25.234 0.52 15.63 ? 83 LYS E CE 1 ATOM 15032 N NZ A LYS E 1 83 ? 39.614 6.261 25.921 0.48 18.44 ? 83 LYS E NZ 1 ATOM 15033 N NZ B LYS E 1 83 ? 40.099 5.497 23.872 0.52 14.52 ? 83 LYS E NZ 1 ATOM 15034 H H A LYS E 1 83 ? 41.782 0.003 27.283 0.48 8.39 ? 83 LYS E H 1 ATOM 15035 H H B LYS E 1 83 ? 41.826 0.035 27.263 0.52 8.50 ? 83 LYS E H 1 ATOM 15036 H HA A LYS E 1 83 ? 40.071 0.806 29.253 0.48 8.03 ? 83 LYS E HA 1 ATOM 15037 H HA B LYS E 1 83 ? 40.021 0.965 29.078 0.52 8.67 ? 83 LYS E HA 1 ATOM 15038 H HB2 A LYS E 1 83 ? 39.808 1.178 26.463 0.48 8.68 ? 83 LYS E HB2 1 ATOM 15039 H HB2 B LYS E 1 83 ? 39.762 0.873 26.253 0.52 9.61 ? 83 LYS E HB2 1 ATOM 15040 H HB3 A LYS E 1 83 ? 38.695 1.594 27.517 0.48 8.68 ? 83 LYS E HB3 1 ATOM 15041 H HB3 B LYS E 1 83 ? 38.726 1.556 27.235 0.52 9.61 ? 83 LYS E HB3 1 ATOM 15042 H HG2 A LYS E 1 83 ? 40.147 3.159 28.418 0.48 10.33 ? 83 LYS E HG2 1 ATOM 15043 H HG2 B LYS E 1 83 ? 40.298 3.256 27.686 0.52 13.42 ? 83 LYS E HG2 1 ATOM 15044 H HG3 A LYS E 1 83 ? 41.240 2.756 27.332 0.48 10.33 ? 83 LYS E HG3 1 ATOM 15045 H HG3 B LYS E 1 83 ? 41.297 2.583 26.644 0.52 13.42 ? 83 LYS E HG3 1 ATOM 15046 H HD2 A LYS E 1 83 ? 39.806 3.519 25.633 0.48 11.69 ? 83 LYS E HD2 1 ATOM 15047 H HD2 B LYS E 1 83 ? 39.600 2.958 24.931 0.52 16.42 ? 83 LYS E HD2 1 ATOM 15048 H HD3 A LYS E 1 83 ? 38.750 3.962 26.738 0.48 11.69 ? 83 LYS E HD3 1 ATOM 15049 H HD3 B LYS E 1 83 ? 38.813 3.835 25.991 0.52 16.42 ? 83 LYS E HD3 1 ATOM 15050 H HE2 A LYS E 1 83 ? 40.433 5.459 27.582 0.48 16.58 ? 83 LYS E HE2 1 ATOM 15051 H HE2 B LYS E 1 83 ? 40.388 5.499 25.921 0.52 18.74 ? 83 LYS E HE2 1 ATOM 15052 H HE3 A LYS E 1 83 ? 41.263 5.147 26.260 0.48 16.58 ? 83 LYS E HE3 1 ATOM 15053 H HE3 B LYS E 1 83 ? 41.425 4.578 25.167 0.52 18.74 ? 83 LYS E HE3 1 ATOM 15054 H HZ1 A LYS E 1 83 ? 40.064 7.105 26.004 0.48 22.12 ? 83 LYS E HZ1 1 ATOM 15055 H HZ1 B LYS E 1 83 ? 39.183 5.783 23.898 0.52 17.41 ? 83 LYS E HZ1 1 ATOM 15056 H HZ2 A LYS E 1 83 ? 39.546 6.035 24.990 0.48 22.12 ? 83 LYS E HZ2 1 ATOM 15057 H HZ2 B LYS E 1 83 ? 40.659 6.259 23.711 0.52 17.41 ? 83 LYS E HZ2 1 ATOM 15058 H HZ3 A LYS E 1 83 ? 38.731 6.341 26.288 0.48 22.12 ? 83 LYS E HZ3 1 ATOM 15059 H HZ3 B LYS E 1 83 ? 40.209 4.871 23.152 0.52 17.41 ? 83 LYS E HZ3 1 ATOM 15060 N N . VAL E 1 84 ? 38.266 -0.813 28.925 1.00 7.24 ? 84 VAL E N 1 ATOM 15061 C CA . VAL E 1 84 ? 37.394 -1.988 28.978 1.00 7.50 ? 84 VAL E CA 1 ATOM 15062 C C . VAL E 1 84 ? 35.966 -1.509 29.151 1.00 7.49 ? 84 VAL E C 1 ATOM 15063 O O . VAL E 1 84 ? 35.710 -0.482 29.775 1.00 8.89 ? 84 VAL E O 1 ATOM 15064 C CB . VAL E 1 84 ? 37.806 -2.959 30.097 1.00 7.91 ? 84 VAL E CB 1 ATOM 15065 C CG1 . VAL E 1 84 ? 37.595 -2.346 31.449 1.00 11.21 ? 84 VAL E CG1 1 ATOM 15066 C CG2 . VAL E 1 84 ? 37.078 -4.284 29.984 1.00 10.39 ? 84 VAL E CG2 1 ATOM 15067 H H A VAL E 1 84 ? 37.982 -0.145 29.387 0.48 8.68 ? 84 VAL E H 1 ATOM 15068 H H B VAL E 1 84 ? 37.966 -0.134 29.359 0.52 8.68 ? 84 VAL E H 1 ATOM 15069 H HA . VAL E 1 84 ? 37.452 -2.467 28.125 1.00 8.98 ? 84 VAL E HA 1 ATOM 15070 H HB . VAL E 1 84 ? 38.764 -3.144 30.007 1.00 9.48 ? 84 VAL E HB 1 ATOM 15071 H HG11 . VAL E 1 84 ? 37.861 -2.976 32.122 1.00 13.45 ? 84 VAL E HG11 1 ATOM 15072 H HG12 . VAL E 1 84 ? 38.127 -1.549 31.516 1.00 13.45 ? 84 VAL E HG12 1 ATOM 15073 H HG13 . VAL E 1 84 ? 36.666 -2.129 31.551 1.00 13.45 ? 84 VAL E HG13 1 ATOM 15074 H HG21 . VAL E 1 84 ? 37.362 -4.858 30.698 1.00 12.46 ? 84 VAL E HG21 1 ATOM 15075 H HG22 . VAL E 1 84 ? 36.133 -4.126 30.046 1.00 12.46 ? 84 VAL E HG22 1 ATOM 15076 H HG23 . VAL E 1 84 ? 37.288 -4.684 29.137 1.00 12.46 ? 84 VAL E HG23 1 ATOM 15077 N N . ILE E 1 85 ? 35.023 -2.305 28.636 1.00 8.67 ? 85 ILE E N 1 ATOM 15078 C CA . ILE E 1 85 ? 33.627 -2.126 28.941 1.00 9.71 ? 85 ILE E CA 1 ATOM 15079 C C . ILE E 1 85 ? 33.335 -2.724 30.318 1.00 8.38 ? 85 ILE E C 1 ATOM 15080 O O . ILE E 1 85 ? 33.595 -3.915 30.563 1.00 10.73 ? 85 ILE E O 1 ATOM 15081 C CB . ILE E 1 85 ? 32.791 -2.856 27.896 1.00 11.40 ? 85 ILE E CB 1 ATOM 15082 C CG1 . ILE E 1 85 ? 33.012 -2.232 26.515 1.00 16.45 ? 85 ILE E CG1 1 ATOM 15083 C CG2 . ILE E 1 85 ? 31.349 -2.822 28.268 1.00 12.41 ? 85 ILE E CG2 1 ATOM 15084 C CD1 . ILE E 1 85 ? 32.478 -3.116 25.383 1.00 14.61 ? 85 ILE E CD1 1 ATOM 15085 H H . ILE E 1 85 ? 35.182 -2.961 28.102 1.00 10.39 ? 85 ILE E H 1 ATOM 15086 H HA . ILE E 1 85 ? 33.394 -1.174 28.941 1.00 11.64 ? 85 ILE E HA 1 ATOM 15087 H HB . ILE E 1 85 ? 33.079 -3.782 27.864 1.00 13.67 ? 85 ILE E HB 1 ATOM 15088 H HG12 . ILE E 1 85 ? 32.551 -1.380 26.475 1.00 19.73 ? 85 ILE E HG12 1 ATOM 15089 H HG13 . ILE E 1 85 ? 33.963 -2.104 26.374 1.00 19.73 ? 85 ILE E HG13 1 ATOM 15090 H HG21 . ILE E 1 85 ? 30.842 -3.286 27.597 1.00 14.88 ? 85 ILE E HG21 1 ATOM 15091 H HG22 . ILE E 1 85 ? 31.236 -3.251 29.119 1.00 14.88 ? 85 ILE E HG22 1 ATOM 15092 H HG23 . ILE E 1 85 ? 31.062 -1.907 28.321 1.00 14.88 ? 85 ILE E HG23 1 ATOM 15093 H HD11 . ILE E 1 85 ? 32.641 -2.680 24.544 1.00 17.52 ? 85 ILE E HD11 1 ATOM 15094 H HD12 . ILE E 1 85 ? 32.931 -3.962 25.407 1.00 17.52 ? 85 ILE E HD12 1 ATOM 15095 H HD13 . ILE E 1 85 ? 31.535 -3.246 25.508 1.00 17.52 ? 85 ILE E HD13 1 ATOM 15096 N N A GLU E 1 86 ? 32.792 -1.913 31.229 0.73 11.12 ? 86 GLU E N 1 ATOM 15097 N N B GLU E 1 86 ? 32.784 -1.900 31.201 0.27 10.40 ? 86 GLU E N 1 ATOM 15098 C CA A GLU E 1 86 ? 32.415 -2.422 32.555 0.73 10.65 ? 86 GLU E CA 1 ATOM 15099 C CA B GLU E 1 86 ? 32.382 -2.364 32.517 0.27 11.00 ? 86 GLU E CA 1 ATOM 15100 C C A GLU E 1 86 ? 31.207 -1.628 33.060 0.73 10.12 ? 86 GLU E C 1 ATOM 15101 C C B GLU E 1 86 ? 31.087 -1.678 32.931 0.27 9.59 ? 86 GLU E C 1 ATOM 15102 O O A GLU E 1 86 ? 31.021 -0.461 32.728 0.73 12.63 ? 86 GLU E O 1 ATOM 15103 O O B GLU E 1 86 ? 30.700 -0.636 32.402 0.27 10.48 ? 86 GLU E O 1 ATOM 15104 C CB A GLU E 1 86 ? 33.578 -2.356 33.572 0.73 16.00 ? 86 GLU E CB 1 ATOM 15105 C CB B GLU E 1 86 ? 33.472 -2.100 33.565 0.27 15.32 ? 86 GLU E CB 1 ATOM 15106 C CG A GLU E 1 86 ? 34.159 -0.949 33.742 0.73 16.32 ? 86 GLU E CG 1 ATOM 15107 C CG B GLU E 1 86 ? 34.356 -3.300 33.884 0.27 12.87 ? 86 GLU E CG 1 ATOM 15108 C CD A GLU E 1 86 ? 35.329 -0.869 34.765 0.73 18.01 ? 86 GLU E CD 1 ATOM 15109 C CD B GLU E 1 86 ? 35.304 -3.027 35.041 0.27 10.77 ? 86 GLU E CD 1 ATOM 15110 O OE1 A GLU E 1 86 ? 35.980 -1.911 35.010 0.73 10.78 ? 86 GLU E OE1 1 ATOM 15111 O OE1 B GLU E 1 86 ? 36.266 -2.272 34.838 0.27 9.84 ? 86 GLU E OE1 1 ATOM 15112 O OE2 A GLU E 1 86 ? 35.551 0.244 35.342 0.73 10.13 ? 86 GLU E OE2 1 ATOM 15113 O OE2 B GLU E 1 86 ? 35.088 -3.544 36.153 0.27 9.93 ? 86 GLU E OE2 1 ATOM 15114 H H A GLU E 1 86 ? 32.633 -1.076 31.109 0.73 13.33 ? 86 GLU E H 1 ATOM 15115 H H B GLU E 1 86 ? 32.633 -1.065 31.060 0.27 12.47 ? 86 GLU E H 1 ATOM 15116 H HA A GLU E 1 86 ? 32.145 -3.360 32.469 0.73 12.77 ? 86 GLU E HA 1 ATOM 15117 H HA B GLU E 1 86 ? 32.219 -3.329 32.481 0.27 13.19 ? 86 GLU E HA 1 ATOM 15118 H HB2 A GLU E 1 86 ? 33.256 -2.652 34.437 0.73 19.19 ? 86 GLU E HB2 1 ATOM 15119 H HB2 B GLU E 1 86 ? 34.047 -1.390 33.240 0.27 18.37 ? 86 GLU E HB2 1 ATOM 15120 H HB3 A GLU E 1 86 ? 34.293 -2.939 33.270 0.73 19.19 ? 86 GLU E HB3 1 ATOM 15121 H HB3 B GLU E 1 86 ? 33.046 -1.823 34.391 0.27 18.37 ? 86 GLU E HB3 1 ATOM 15122 H HG2 A GLU E 1 86 ? 34.494 -0.643 32.885 0.73 19.57 ? 86 GLU E HG2 1 ATOM 15123 H HG2 B GLU E 1 86 ? 33.794 -4.053 34.125 0.27 15.43 ? 86 GLU E HG2 1 ATOM 15124 H HG3 A GLU E 1 86 ? 33.456 -0.356 34.050 0.73 19.57 ? 86 GLU E HG3 1 ATOM 15125 H HG3 B GLU E 1 86 ? 34.888 -3.518 33.103 0.27 15.43 ? 86 GLU E HG3 1 ATOM 15126 N N . LYS E 1 87 ? 30.418 -2.324 33.870 1.00 12.44 ? 87 LYS E N 1 ATOM 15127 C CA . LYS E 1 87 ? 29.273 -1.742 34.588 1.00 12.68 ? 87 LYS E CA 1 ATOM 15128 C C . LYS E 1 87 ? 29.802 -0.954 35.778 1.00 12.57 ? 87 LYS E C 1 ATOM 15129 O O . LYS E 1 87 ? 30.908 -1.199 36.238 1.00 13.78 ? 87 LYS E O 1 ATOM 15130 C CB . LYS E 1 87 ? 28.367 -2.856 35.077 1.00 16.13 ? 87 LYS E CB 1 ATOM 15131 C CG . LYS E 1 87 ? 27.730 -3.674 33.969 1.00 23.84 ? 87 LYS E CG 1 ATOM 15132 C CD . LYS E 1 87 ? 26.730 -4.688 34.539 1.00 29.41 ? 87 LYS E CD 1 ATOM 15133 C CE . LYS E 1 87 ? 26.062 -5.503 33.437 1.00 45.84 ? 87 LYS E CE 1 ATOM 15134 N NZ . LYS E 1 87 ? 27.037 -6.416 32.762 1.00 54.47 ? 87 LYS E NZ 1 ATOM 15135 H H A LYS E 1 87 ? 30.524 -3.163 34.029 0.70 14.92 ? 87 LYS E H 1 ATOM 15136 H H B LYS E 1 87 ? 30.606 -3.125 34.123 0.30 14.92 ? 87 LYS E H 1 ATOM 15137 H HA . LYS E 1 87 ? 28.767 -1.144 33.999 1.00 15.20 ? 87 LYS E HA 1 ATOM 15138 H HB2 . LYS E 1 87 ? 28.887 -3.461 35.629 1.00 19.35 ? 87 LYS E HB2 1 ATOM 15139 H HB3 . LYS E 1 87 ? 27.652 -2.466 35.604 1.00 19.35 ? 87 LYS E HB3 1 ATOM 15140 H HG2 . LYS E 1 87 ? 27.255 -3.082 33.364 1.00 28.60 ? 87 LYS E HG2 1 ATOM 15141 H HG3 . LYS E 1 87 ? 28.420 -4.161 33.491 1.00 28.60 ? 87 LYS E HG3 1 ATOM 15142 H HD2 . LYS E 1 87 ? 27.197 -5.300 35.129 1.00 35.28 ? 87 LYS E HD2 1 ATOM 15143 H HD3 . LYS E 1 87 ? 26.038 -4.214 35.027 1.00 35.28 ? 87 LYS E HD3 1 ATOM 15144 H HE2 . LYS E 1 87 ? 25.356 -6.044 33.823 1.00 54.99 ? 87 LYS E HE2 1 ATOM 15145 H HE3 . LYS E 1 87 ? 25.697 -4.901 32.770 1.00 54.99 ? 87 LYS E HE3 1 ATOM 15146 H HZ1 . LYS E 1 87 ? 26.594 -6.917 32.074 1.00 65.35 ? 87 LYS E HZ1 1 ATOM 15147 H HZ2 . LYS E 1 87 ? 27.747 -5.903 32.367 1.00 65.35 ? 87 LYS E HZ2 1 ATOM 15148 H HZ3 . LYS E 1 87 ? 27.411 -7.026 33.401 1.00 65.35 ? 87 LYS E HZ3 1 ATOM 15149 N N . PHE E 1 88 ? 28.999 -0.018 36.282 1.00 12.40 ? 88 PHE E N 1 ATOM 15150 C CA . PHE E 1 88 ? 29.384 0.776 37.436 1.00 9.44 ? 88 PHE E CA 1 ATOM 15151 C C . PHE E 1 88 ? 28.164 1.047 38.314 1.00 8.79 ? 88 PHE E C 1 ATOM 15152 O O . PHE E 1 88 ? 27.122 1.498 37.793 1.00 11.41 ? 88 PHE E O 1 ATOM 15153 C CB . PHE E 1 88 ? 29.939 2.140 37.024 1.00 11.42 ? 88 PHE E CB 1 ATOM 15154 C CG . PHE E 1 88 ? 30.116 3.054 38.194 1.00 9.81 ? 88 PHE E CG 1 ATOM 15155 C CD1 . PHE E 1 88 ? 31.204 2.895 39.024 1.00 11.46 ? 88 PHE E CD1 1 ATOM 15156 C CD2 . PHE E 1 88 ? 29.169 4.002 38.516 1.00 12.10 ? 88 PHE E CD2 1 ATOM 15157 C CE1 . PHE E 1 88 ? 31.364 3.689 40.152 1.00 14.30 ? 88 PHE E CE1 1 ATOM 15158 C CE2 . PHE E 1 88 ? 29.306 4.796 39.659 1.00 14.09 ? 88 PHE E CE2 1 ATOM 15159 C CZ . PHE E 1 88 ? 30.410 4.630 40.473 1.00 12.65 ? 88 PHE E CZ 1 ATOM 15160 H H . PHE E 1 88 ? 28.222 0.175 35.968 1.00 14.87 ? 88 PHE E H 1 ATOM 15161 H HA . PHE E 1 88 ? 30.060 0.300 37.963 1.00 11.31 ? 88 PHE E HA 1 ATOM 15162 H HB2 . PHE E 1 88 ? 30.804 2.017 36.603 1.00 13.69 ? 88 PHE E HB2 1 ATOM 15163 H HB3 . PHE E 1 88 ? 29.323 2.559 36.404 1.00 13.69 ? 88 PHE E HB3 1 ATOM 15164 H HD1 . PHE E 1 88 ? 31.842 2.248 38.825 1.00 13.74 ? 88 PHE E HD1 1 ATOM 15165 H HD2 . PHE E 1 88 ? 28.415 4.096 37.980 1.00 14.51 ? 88 PHE E HD2 1 ATOM 15166 H HE1 . PHE E 1 88 ? 32.110 3.579 40.696 1.00 17.15 ? 88 PHE E HE1 1 ATOM 15167 H HE2 . PHE E 1 88 ? 28.669 5.444 39.858 1.00 16.89 ? 88 PHE E HE2 1 ATOM 15168 H HZ . PHE E 1 88 ? 30.527 5.177 41.216 1.00 15.17 ? 88 PHE E HZ 1 ATOM 15169 N N . PRO E 1 89 ? 28.260 0.781 39.620 1.00 7.53 ? 89 PRO E N 1 ATOM 15170 C CA . PRO E 1 89 ? 29.370 0.102 40.300 1.00 8.76 ? 89 PRO E CA 1 ATOM 15171 C C . PRO E 1 89 ? 29.308 -1.387 40.062 1.00 8.68 ? 89 PRO E C 1 ATOM 15172 O O . PRO E 1 89 ? 28.240 -1.935 39.852 1.00 10.78 ? 89 PRO E O 1 ATOM 15173 C CB . PRO E 1 89 ? 29.108 0.360 41.794 1.00 11.11 ? 89 PRO E CB 1 ATOM 15174 C CG . PRO E 1 89 ? 27.970 1.248 41.863 1.00 12.40 ? 89 PRO E CG 1 ATOM 15175 C CD . PRO E 1 89 ? 27.256 1.267 40.578 1.00 8.60 ? 89 PRO E CD 1 ATOM 15176 H HA . PRO E 1 89 ? 30.240 0.465 40.031 1.00 10.50 ? 89 PRO E HA 1 ATOM 15177 H HB2 . PRO E 1 89 ? 28.911 -0.480 42.237 1.00 13.32 ? 89 PRO E HB2 1 ATOM 15178 H HB3 . PRO E 1 89 ? 29.888 0.778 42.191 1.00 13.32 ? 89 PRO E HB3 1 ATOM 15179 H HG2 . PRO E 1 89 ? 27.374 0.935 42.563 1.00 14.87 ? 89 PRO E HG2 1 ATOM 15180 H HG3 . PRO E 1 89 ? 28.284 2.140 42.076 1.00 14.87 ? 89 PRO E HG3 1 ATOM 15181 H HD2 . PRO E 1 89 ? 26.495 0.666 40.605 1.00 10.31 ? 89 PRO E HD2 1 ATOM 15182 H HD3 . PRO E 1 89 ? 26.986 2.172 40.355 1.00 10.31 ? 89 PRO E HD3 1 ATOM 15183 N N . ALA E 1 90 ? 30.462 -2.044 40.161 1.00 7.84 ? 90 ALA E N 1 ATOM 15184 C CA . ALA E 1 90 ? 30.503 -3.479 40.054 1.00 8.79 ? 90 ALA E CA 1 ATOM 15185 C C . ALA E 1 90 ? 31.779 -4.019 40.645 1.00 7.25 ? 90 ALA E C 1 ATOM 15186 O O . ALA E 1 90 ? 32.834 -3.424 40.475 1.00 8.63 ? 90 ALA E O 1 ATOM 15187 C CB . ALA E 1 90 ? 30.405 -3.920 38.604 1.00 11.65 ? 90 ALA E CB 1 ATOM 15188 H H . ALA E 1 90 ? 31.228 -1.675 40.289 1.00 9.40 ? 90 ALA E H 1 ATOM 15189 H HA . ALA E 1 90 ? 29.747 -3.863 40.546 1.00 10.54 ? 90 ALA E HA 1 ATOM 15190 H HB1 . ALA E 1 90 ? 30.435 -4.879 38.567 1.00 13.97 ? 90 ALA E HB1 1 ATOM 15191 H HB2 . ALA E 1 90 ? 29.577 -3.603 38.236 1.00 13.97 ? 90 ALA E HB2 1 ATOM 15192 H HB3 . ALA E 1 90 ? 31.144 -3.550 38.115 1.00 13.97 ? 90 ALA E HB3 1 ATOM 15193 N N . PRO E 1 91 ? 31.705 -5.156 41.318 1.00 5.73 ? 91 PRO E N 1 ATOM 15194 C CA . PRO E 1 91 ? 32.938 -5.868 41.648 1.00 5.26 ? 91 PRO E CA 1 ATOM 15195 C C . PRO E 1 91 ? 33.781 -6.173 40.414 1.00 6.54 ? 91 PRO E C 1 ATOM 15196 O O . PRO E 1 91 ? 33.234 -6.383 39.316 1.00 8.87 ? 91 PRO E O 1 ATOM 15197 C CB . PRO E 1 91 ? 32.451 -7.182 42.263 1.00 7.84 ? 91 PRO E CB 1 ATOM 15198 C CG . PRO E 1 91 ? 31.060 -6.902 42.720 1.00 8.15 ? 91 PRO E CG 1 ATOM 15199 C CD . PRO E 1 91 ? 30.525 -5.949 41.710 1.00 7.32 ? 91 PRO E CD 1 ATOM 15200 H HA . PRO E 1 91 ? 33.468 -5.368 42.303 1.00 6.30 ? 91 PRO E HA 1 ATOM 15201 H HB2 . PRO E 1 91 ? 32.457 -7.881 41.590 1.00 9.39 ? 91 PRO E HB2 1 ATOM 15202 H HB3 . PRO E 1 91 ? 33.016 -7.422 43.014 1.00 9.39 ? 91 PRO E HB3 1 ATOM 15203 H HG2 . PRO E 1 91 ? 30.544 -7.723 42.726 1.00 9.77 ? 91 PRO E HG2 1 ATOM 15204 H HG3 . PRO E 1 91 ? 31.078 -6.497 43.601 1.00 9.77 ? 91 PRO E HG3 1 ATOM 15205 H HD2 . PRO E 1 91 ? 30.174 -6.431 40.944 1.00 8.77 ? 91 PRO E HD2 1 ATOM 15206 H HD3 . PRO E 1 91 ? 29.852 -5.377 42.109 1.00 8.77 ? 91 PRO E HD3 1 ATOM 15207 N N . VAL E 1 92 ? 35.093 -6.201 40.604 1.00 6.31 ? 92 VAL E N 1 ATOM 15208 C CA . VAL E 1 92 ? 35.992 -6.483 39.484 1.00 6.48 ? 92 VAL E CA 1 ATOM 15209 C C . VAL E 1 92 ? 37.111 -7.386 39.972 1.00 6.36 ? 92 VAL E C 1 ATOM 15210 O O . VAL E 1 92 ? 37.567 -7.312 41.137 1.00 7.85 ? 92 VAL E O 1 ATOM 15211 C CB . VAL E 1 92 ? 36.547 -5.196 38.873 1.00 8.35 ? 92 VAL E CB 1 ATOM 15212 C CG1 . VAL E 1 92 ? 37.460 -4.507 39.813 1.00 8.67 ? 92 VAL E CG1 1 ATOM 15213 C CG2 . VAL E 1 92 ? 37.193 -5.466 37.512 1.00 10.10 ? 92 VAL E CG2 1 ATOM 15214 H H . VAL E 1 92 ? 35.487 -6.064 41.356 1.00 7.56 ? 92 VAL E H 1 ATOM 15215 H HA . VAL E 1 92 ? 35.496 -6.962 38.787 1.00 7.76 ? 92 VAL E HA 1 ATOM 15216 H HB . VAL E 1 92 ? 35.793 -4.590 38.714 1.00 10.01 ? 92 VAL E HB 1 ATOM 15217 H HG11 . VAL E 1 92 ? 37.788 -3.706 39.399 1.00 10.39 ? 92 VAL E HG11 1 ATOM 15218 H HG12 . VAL E 1 92 ? 36.976 -4.288 40.613 1.00 10.39 ? 92 VAL E HG12 1 ATOM 15219 H HG13 . VAL E 1 92 ? 38.192 -5.092 40.023 1.00 10.39 ? 92 VAL E HG13 1 ATOM 15220 H HG21 . VAL E 1 92 ? 37.530 -4.640 37.157 1.00 12.10 ? 92 VAL E HG21 1 ATOM 15221 H HG22 . VAL E 1 92 ? 37.913 -6.091 37.627 1.00 12.10 ? 92 VAL E HG22 1 ATOM 15222 H HG23 . VAL E 1 92 ? 36.533 -5.832 36.920 1.00 12.10 ? 92 VAL E HG23 1 ATOM 15223 N N . HIS E 1 93 ? 37.584 -8.231 39.059 1.00 6.32 ? 93 HIS E N 1 ATOM 15224 C CA . HIS E 1 93 ? 38.816 -8.972 39.257 1.00 4.77 ? 93 HIS E CA 1 ATOM 15225 C C . HIS E 1 93 ? 39.826 -8.395 38.272 1.00 5.60 ? 93 HIS E C 1 ATOM 15226 O O . HIS E 1 93 ? 39.565 -8.308 37.086 1.00 6.89 ? 93 HIS E O 1 ATOM 15227 C CB . HIS E 1 93 ? 38.639 -10.476 38.993 1.00 5.90 ? 93 HIS E CB 1 ATOM 15228 C CG . HIS E 1 93 ? 39.868 -11.247 39.276 1.00 5.92 ? 93 HIS E CG 1 ATOM 15229 N ND1 . HIS E 1 93 ? 40.755 -11.606 38.290 1.00 7.39 ? 93 HIS E ND1 1 ATOM 15230 C CD2 . HIS E 1 93 ? 40.377 -11.690 40.446 1.00 7.15 ? 93 HIS E CD2 1 ATOM 15231 C CE1 . HIS E 1 93 ? 41.783 -12.222 38.855 1.00 6.92 ? 93 HIS E CE1 1 ATOM 15232 N NE2 . HIS E 1 93 ? 41.572 -12.299 40.161 1.00 7.71 ? 93 HIS E NE2 1 ATOM 15233 H H . HIS E 1 93 ? 37.200 -8.392 38.306 1.00 7.57 ? 93 HIS E H 1 ATOM 15234 H HA . HIS E 1 93 ? 39.147 -8.842 40.170 1.00 5.71 ? 93 HIS E HA 1 ATOM 15235 H HB2 . HIS E 1 93 ? 37.931 -10.817 39.562 1.00 7.07 ? 93 HIS E HB2 1 ATOM 15236 H HB3 . HIS E 1 93 ? 38.408 -10.610 38.060 1.00 7.07 ? 93 HIS E HB3 1 ATOM 15237 H HD2 . HIS E 1 93 ? 39.997 -11.585 41.289 1.00 8.57 ? 93 HIS E HD2 1 ATOM 15238 H HE1 . HIS E 1 93 ? 42.510 -12.585 38.403 1.00 8.30 ? 93 HIS E HE1 1 ATOM 15239 H HE2 . HIS E 1 93 ? 42.091 -12.680 40.732 1.00 9.24 ? 93 HIS E HE2 1 ATOM 15240 N N . ILE E 1 94 ? 40.983 -7.988 38.790 1.00 5.10 ? 94 ILE E N 1 ATOM 15241 C CA . ILE E 1 94 ? 42.013 -7.316 37.993 1.00 6.71 ? 94 ILE E CA 1 ATOM 15242 C C . ILE E 1 94 ? 43.289 -8.124 38.071 1.00 7.77 ? 94 ILE E C 1 ATOM 15243 O O . ILE E 1 94 ? 43.725 -8.488 39.165 1.00 9.41 ? 94 ILE E O 1 ATOM 15244 C CB . ILE E 1 94 ? 42.298 -5.937 38.556 1.00 7.36 ? 94 ILE E CB 1 ATOM 15245 C CG1 . ILE E 1 94 ? 41.065 -5.072 38.443 1.00 10.48 ? 94 ILE E CG1 1 ATOM 15246 C CG2 . ILE E 1 94 ? 43.458 -5.225 37.820 1.00 12.20 ? 94 ILE E CG2 1 ATOM 15247 C CD1 . ILE E 1 94 ? 41.070 -3.799 39.329 1.00 14.31 ? 94 ILE E CD1 1 ATOM 15248 H H . ILE E 1 94 ? 41.200 -8.091 39.616 1.00 6.11 ? 94 ILE E H 1 ATOM 15249 H HA . ILE E 1 94 ? 41.730 -7.238 37.058 1.00 8.04 ? 94 ILE E HA 1 ATOM 15250 H HB . ILE E 1 94 ? 42.532 -6.026 39.493 1.00 8.82 ? 94 ILE E HB 1 ATOM 15251 H HG12 . ILE E 1 94 ? 40.973 -4.785 37.521 1.00 12.57 ? 94 ILE E HG12 1 ATOM 15252 H HG13 . ILE E 1 94 ? 40.293 -5.601 38.697 1.00 12.57 ? 94 ILE E HG13 1 ATOM 15253 H HG21 . ILE E 1 94 ? 43.595 -4.361 38.216 1.00 14.63 ? 94 ILE E HG21 1 ATOM 15254 H HG22 . ILE E 1 94 ? 44.254 -5.754 37.906 1.00 14.63 ? 94 ILE E HG22 1 ATOM 15255 H HG23 . ILE E 1 94 ? 43.227 -5.128 36.893 1.00 14.63 ? 94 ILE E HG23 1 ATOM 15256 H HD11 . ILE E 1 94 ? 40.251 -3.318 39.189 1.00 17.16 ? 94 ILE E HD11 1 ATOM 15257 H HD12 . ILE E 1 94 ? 41.143 -4.060 40.250 1.00 17.16 ? 94 ILE E HD12 1 ATOM 15258 H HD13 . ILE E 1 94 ? 41.818 -3.250 39.083 1.00 17.16 ? 94 ILE E HD13 1 ATOM 15259 N N . CYS E 1 95 ? 43.890 -8.424 36.922 1.00 6.99 ? 95 CYS E N 1 ATOM 15260 C CA . CYS E 1 95 ? 45.249 -8.971 36.891 1.00 6.68 ? 95 CYS E CA 1 ATOM 15261 C C . CYS E 1 95 ? 46.040 -8.065 35.956 1.00 7.12 ? 95 CYS E C 1 ATOM 15262 O O . CYS E 1 95 ? 45.522 -7.627 34.909 1.00 8.28 ? 95 CYS E O 1 ATOM 15263 C CB . CYS E 1 95 ? 45.258 -10.358 36.325 1.00 10.13 ? 95 CYS E CB 1 ATOM 15264 S SG . CYS E 1 95 ? 44.820 -11.775 37.392 1.00 17.91 ? 95 CYS E SG 1 ATOM 15265 H H . CYS E 1 95 ? 43.535 -8.322 36.146 1.00 8.38 ? 95 CYS E H 1 ATOM 15266 H HA . CYS E 1 95 ? 45.653 -8.968 37.784 1.00 8.01 ? 95 CYS E HA 1 ATOM 15267 H HB2 . CYS E 1 95 ? 44.638 -10.373 35.579 1.00 12.15 ? 95 CYS E HB2 1 ATOM 15268 H HB3 . CYS E 1 95 ? 46.152 -10.531 35.990 1.00 12.15 ? 95 CYS E HB3 1 ATOM 15269 N N . VAL E 1 96 ? 47.287 -7.790 36.309 1.00 5.33 ? 96 VAL E N 1 ATOM 15270 C CA . VAL E 1 96 ? 48.175 -7.106 35.411 1.00 5.95 ? 96 VAL E CA 1 ATOM 15271 C C . VAL E 1 96 ? 49.548 -7.765 35.500 1.00 7.77 ? 96 VAL E C 1 ATOM 15272 O O . VAL E 1 96 ? 50.059 -8.075 36.573 1.00 7.65 ? 96 VAL E O 1 ATOM 15273 C CB . VAL E 1 96 ? 48.215 -5.594 35.738 1.00 7.35 ? 96 VAL E CB 1 ATOM 15274 C CG1 . VAL E 1 96 ? 48.691 -5.360 37.163 1.00 11.98 ? 96 VAL E CG1 1 ATOM 15275 C CG2 . VAL E 1 96 ? 49.028 -4.816 34.675 1.00 9.26 ? 96 VAL E CG2 1 ATOM 15276 H H . VAL E 1 96 ? 47.637 -7.993 37.068 1.00 6.39 ? 96 VAL E H 1 ATOM 15277 H HA . VAL E 1 96 ? 47.846 -7.209 34.493 1.00 7.12 ? 96 VAL E HA 1 ATOM 15278 H HB . VAL E 1 96 ? 47.297 -5.256 35.691 1.00 8.81 ? 96 VAL E HB 1 ATOM 15279 H HG11 . VAL E 1 96 ? 48.706 -4.415 37.336 1.00 14.37 ? 96 VAL E HG11 1 ATOM 15280 H HG12 . VAL E 1 96 ? 48.088 -5.795 37.769 1.00 14.37 ? 96 VAL E HG12 1 ATOM 15281 H HG13 . VAL E 1 96 ? 49.574 -5.724 37.261 1.00 14.37 ? 96 VAL E HG13 1 ATOM 15282 H HG21 . VAL E 1 96 ? 49.034 -3.884 34.907 1.00 11.11 ? 96 VAL E HG21 1 ATOM 15283 H HG22 . VAL E 1 96 ? 49.926 -5.155 34.660 1.00 11.11 ? 96 VAL E HG22 1 ATOM 15284 H HG23 . VAL E 1 96 ? 48.617 -4.938 33.817 1.00 11.11 ? 96 VAL E HG23 1 ATOM 15285 N N . SER E 1 97 ? 50.147 -7.977 34.341 1.00 6.92 ? 97 SER E N 1 ATOM 15286 C CA . SER E 1 97 ? 51.517 -8.472 34.275 1.00 5.61 ? 97 SER E CA 1 ATOM 15287 C C . SER E 1 97 ? 52.387 -7.521 33.461 1.00 6.18 ? 97 SER E C 1 ATOM 15288 O O . SER E 1 97 ? 51.896 -6.758 32.626 1.00 7.13 ? 97 SER E O 1 ATOM 15289 C CB . SER E 1 97 ? 51.597 -9.859 33.651 1.00 9.41 ? 97 SER E CB 1 ATOM 15290 O OG . SER E 1 97 ? 51.274 -9.812 32.288 1.00 9.23 ? 97 SER E OG 1 ATOM 15291 H H . SER E 1 97 ? 49.783 -7.843 33.573 1.00 8.30 ? 97 SER E H 1 ATOM 15292 H HA . SER E 1 97 ? 51.885 -8.523 35.182 1.00 6.72 ? 97 SER E HA 1 ATOM 15293 H HB2 . SER E 1 97 ? 52.500 -10.199 33.750 1.00 11.28 ? 97 SER E HB2 1 ATOM 15294 H HB3 . SER E 1 97 ? 50.971 -10.446 34.104 1.00 11.28 ? 97 SER E HB3 1 ATOM 15295 H HG . SER E 1 97 ? 51.320 -10.563 31.963 1.00 11.06 ? 97 SER E HG 1 ATOM 15296 N N . TRP E 1 98 ? 53.688 -7.592 33.739 1.00 7.48 ? 98 TRP E N 1 ATOM 15297 C CA . TRP E 1 98 ? 54.660 -6.840 32.952 1.00 6.70 ? 98 TRP E CA 1 ATOM 15298 C C . TRP E 1 98 ? 55.937 -7.649 32.799 1.00 6.89 ? 98 TRP E C 1 ATOM 15299 O O . TRP E 1 98 ? 56.368 -8.331 33.741 1.00 8.16 ? 98 TRP E O 1 ATOM 15300 C CB . TRP E 1 98 ? 54.910 -5.477 33.598 1.00 5.96 ? 98 TRP E CB 1 ATOM 15301 C CG . TRP E 1 98 ? 55.947 -4.667 32.919 1.00 6.30 ? 98 TRP E CG 1 ATOM 15302 C CD1 . TRP E 1 98 ? 55.804 -3.891 31.805 1.00 7.48 ? 98 TRP E CD1 1 ATOM 15303 C CD2 . TRP E 1 98 ? 57.313 -4.542 33.337 1.00 6.77 ? 98 TRP E CD2 1 ATOM 15304 N NE1 . TRP E 1 98 ? 56.996 -3.298 31.499 1.00 10.20 ? 98 TRP E NE1 1 ATOM 15305 C CE2 . TRP E 1 98 ? 57.939 -3.684 32.411 1.00 7.07 ? 98 TRP E CE2 1 ATOM 15306 C CE3 . TRP E 1 98 ? 58.061 -5.071 34.385 1.00 8.47 ? 98 TRP E CE3 1 ATOM 15307 C CZ2 . TRP E 1 98 ? 59.301 -3.341 32.512 1.00 10.58 ? 98 TRP E CZ2 1 ATOM 15308 C CZ3 . TRP E 1 98 ? 59.436 -4.720 34.478 1.00 9.25 ? 98 TRP E CZ3 1 ATOM 15309 C CH2 . TRP E 1 98 ? 60.010 -3.878 33.551 1.00 10.25 ? 98 TRP E CH2 1 ATOM 15310 H H . TRP E 1 98 ? 54.030 -8.064 34.371 1.00 8.96 ? 98 TRP E H 1 ATOM 15311 H HA . TRP E 1 98 ? 54.293 -6.686 32.057 1.00 8.03 ? 98 TRP E HA 1 ATOM 15312 H HB2 . TRP E 1 98 ? 54.083 -4.970 33.584 1.00 7.14 ? 98 TRP E HB2 1 ATOM 15313 H HB3 . TRP E 1 98 ? 55.196 -5.614 34.514 1.00 7.14 ? 98 TRP E HB3 1 ATOM 15314 H HD1 . TRP E 1 98 ? 55.015 -3.786 31.324 1.00 8.96 ? 98 TRP E HD1 1 ATOM 15315 H HE1 . TRP E 1 98 ? 57.135 -2.776 30.829 1.00 12.23 ? 98 TRP E HE1 1 ATOM 15316 H HE3 . TRP E 1 98 ? 57.673 -5.647 35.004 1.00 10.15 ? 98 TRP E HE3 1 ATOM 15317 H HZ2 . TRP E 1 98 ? 59.702 -2.767 31.899 1.00 12.69 ? 98 TRP E HZ2 1 ATOM 15318 H HZ3 . TRP E 1 98 ? 59.954 -5.067 35.168 1.00 11.08 ? 98 TRP E HZ3 1 ATOM 15319 H HH2 . TRP E 1 98 ? 60.911 -3.662 33.639 1.00 12.29 ? 98 TRP E HH2 1 ATOM 15320 N N . GLU E 1 99 ? 56.506 -7.558 31.603 1.00 8.62 ? 99 GLU E N 1 ATOM 15321 C CA . GLU E 1 99 ? 57.668 -8.337 31.196 1.00 9.73 ? 99 GLU E CA 1 ATOM 15322 C C . GLU E 1 99 ? 58.743 -7.346 30.728 1.00 6.99 ? 99 GLU E C 1 ATOM 15323 O O . GLU E 1 99 ? 58.556 -6.711 29.692 1.00 9.67 ? 99 GLU E O 1 ATOM 15324 C CB . GLU E 1 99 ? 57.251 -9.220 30.013 1.00 10.23 ? 99 GLU E CB 1 ATOM 15325 C CG . GLU E 1 99 ? 58.282 -10.206 29.587 1.00 16.77 ? 99 GLU E CG 1 ATOM 15326 C CD . GLU E 1 99 ? 57.756 -11.036 28.467 1.00 18.45 ? 99 GLU E CD 1 ATOM 15327 O OE1 . GLU E 1 99 ? 57.405 -10.479 27.398 1.00 13.49 ? 99 GLU E OE1 1 ATOM 15328 O OE2 . GLU E 1 99 ? 57.676 -12.263 28.664 1.00 26.02 ? 99 GLU E OE2 1 ATOM 15329 H H . GLU E 1 99 ? 56.224 -7.029 30.986 1.00 10.33 ? 99 GLU E H 1 ATOM 15330 H HA . GLU E 1 99 ? 58.007 -8.888 31.933 1.00 11.66 ? 99 GLU E HA 1 ATOM 15331 H HB2 . GLU E 1 99 ? 56.455 -9.715 30.261 1.00 12.27 ? 99 GLU E HB2 1 ATOM 15332 H HB3 . GLU E 1 99 ? 57.058 -8.649 29.253 1.00 12.27 ? 99 GLU E HB3 1 ATOM 15333 H HG2 . GLU E 1 99 ? 59.073 -9.736 29.278 1.00 20.11 ? 99 GLU E HG2 1 ATOM 15334 H HG3 . GLU E 1 99 ? 58.500 -10.790 30.329 1.00 20.11 ? 99 GLU E HG3 1 ATOM 15335 N N . SER E 1 100 ? 59.857 -7.232 31.443 1.00 8.35 ? 100 SER E N 1 ATOM 15336 C CA . SER E 1 100 ? 60.918 -6.315 31.018 1.00 8.49 ? 100 SER E CA 1 ATOM 15337 C C . SER E 1 100 ? 61.420 -6.571 29.599 1.00 8.03 ? 100 SER E C 1 ATOM 15338 O O . SER E 1 100 ? 61.704 -5.621 28.840 1.00 9.39 ? 100 SER E O 1 ATOM 15339 C CB . SER E 1 100 ? 62.095 -6.397 31.973 1.00 10.32 ? 100 SER E CB 1 ATOM 15340 O OG . SER E 1 100 ? 63.140 -5.539 31.517 1.00 11.50 ? 100 SER E OG 1 ATOM 15341 H H . SER E 1 100 ? 60.026 -7.665 32.166 1.00 10.01 ? 100 SER E H 1 ATOM 15342 H HA . SER E 1 100 ? 60.571 -5.399 31.049 1.00 10.18 ? 100 SER E HA 1 ATOM 15343 H HB2 . SER E 1 100 ? 61.810 -6.113 32.856 1.00 12.37 ? 100 SER E HB2 1 ATOM 15344 H HB3 . SER E 1 100 ? 62.420 -7.310 32.002 1.00 12.37 ? 100 SER E HB3 1 ATOM 15345 H HG . SER E 1 100 ? 63.779 -5.578 32.029 1.00 13.79 ? 100 SER E HG 1 ATOM 15346 N N . SER E 1 101 ? 61.618 -7.829 29.228 1.00 8.75 ? 101 SER E N 1 ATOM 15347 C CA . SER E 1 101 ? 62.289 -8.095 27.952 1.00 8.54 ? 101 SER E CA 1 ATOM 15348 C C . SER E 1 101 ? 61.566 -7.530 26.745 1.00 8.99 ? 101 SER E C 1 ATOM 15349 O O . SER E 1 101 ? 62.207 -7.050 25.800 1.00 10.57 ? 101 SER E O 1 ATOM 15350 C CB . SER E 1 101 ? 62.490 -9.592 27.796 1.00 14.22 ? 101 SER E CB 1 ATOM 15351 O OG . SER E 1 101 ? 61.263 -10.261 27.811 1.00 18.00 ? 101 SER E OG 1 ATOM 15352 H H . SER E 1 101 ? 61.385 -8.526 29.675 1.00 10.49 ? 101 SER E H 1 ATOM 15353 H HA . SER E 1 101 ? 63.177 -7.682 27.979 1.00 10.24 ? 101 SER E HA 1 ATOM 15354 H HB2 . SER E 1 101 ? 62.933 -9.766 26.951 1.00 17.05 ? 101 SER E HB2 1 ATOM 15355 H HB3 . SER E 1 101 ? 63.035 -9.916 28.530 1.00 17.05 ? 101 SER E HB3 1 ATOM 15356 H HG . SER E 1 101 ? 61.382 -11.068 27.727 1.00 21.59 ? 101 SER E HG 1 ATOM 15357 N N . SER E 1 102 ? 60.244 -7.526 26.779 1.00 8.80 ? 102 SER E N 1 ATOM 15358 C CA . SER E 1 102 ? 59.435 -6.942 25.721 1.00 8.67 ? 102 SER E CA 1 ATOM 15359 C C . SER E 1 102 ? 58.852 -5.577 26.070 1.00 8.02 ? 102 SER E C 1 ATOM 15360 O O . SER E 1 102 ? 58.402 -4.868 25.169 1.00 9.84 ? 102 SER E O 1 ATOM 15361 C CB . SER E 1 102 ? 58.262 -7.864 25.413 1.00 9.51 ? 102 SER E CB 1 ATOM 15362 O OG . SER E 1 102 ? 57.424 -7.995 26.557 1.00 9.87 ? 102 SER E OG 1 ATOM 15363 H H . SER E 1 102 ? 59.780 -7.864 27.419 1.00 10.54 ? 102 SER E H 1 ATOM 15364 H HA . SER E 1 102 ? 59.977 -6.849 24.911 1.00 10.39 ? 102 SER E HA 1 ATOM 15365 H HB2 . SER E 1 102 ? 57.746 -7.488 24.682 1.00 11.40 ? 102 SER E HB2 1 ATOM 15366 H HB3 . SER E 1 102 ? 58.602 -8.738 25.166 1.00 11.40 ? 102 SER E HB3 1 ATOM 15367 H HG . SER E 1 102 ? 56.794 -8.492 26.387 1.00 11.83 ? 102 SER E HG 1 ATOM 15368 N N . GLY E 1 103 ? 58.805 -5.261 27.363 1.00 7.51 ? 103 GLY E N 1 ATOM 15369 C CA . GLY E 1 103 ? 58.092 -4.103 27.883 1.00 7.20 ? 103 GLY E CA 1 ATOM 15370 C C . GLY E 1 103 ? 56.576 -4.299 27.951 1.00 6.29 ? 103 GLY E C 1 ATOM 15371 O O . GLY E 1 103 ? 55.863 -3.384 28.314 1.00 6.87 ? 103 GLY E O 1 ATOM 15372 H H . GLY E 1 103 ? 59.194 -5.721 27.977 1.00 9.01 ? 103 GLY E H 1 ATOM 15373 H HA2 . GLY E 1 103 ? 58.413 -3.905 28.776 1.00 8.62 ? 103 GLY E HA2 1 ATOM 15374 H HA3 . GLY E 1 103 ? 58.274 -3.336 27.317 1.00 8.62 ? 103 GLY E HA3 1 ATOM 15375 N N . ILE E 1 104 ? 56.073 -5.465 27.561 1.00 7.42 ? 104 ILE E N 1 ATOM 15376 C CA . ILE E 1 104 ? 54.625 -5.644 27.446 1.00 7.74 ? 104 ILE E CA 1 ATOM 15377 C C . ILE E 1 104 ? 53.907 -5.736 28.797 1.00 6.49 ? 104 ILE E C 1 ATOM 15378 O O . ILE E 1 104 ? 54.283 -6.505 29.684 1.00 7.93 ? 104 ILE E O 1 ATOM 15379 C CB . ILE E 1 104 ? 54.290 -6.872 26.595 1.00 9.31 ? 104 ILE E CB 1 ATOM 15380 C CG1 . ILE E 1 104 ? 54.747 -6.671 25.150 1.00 10.39 ? 104 ILE E CG1 1 ATOM 15381 C CG2 . ILE E 1 104 ? 52.782 -7.183 26.633 1.00 9.64 ? 104 ILE E CG2 1 ATOM 15382 C CD1 . ILE E 1 104 ? 54.110 -5.564 24.402 1.00 10.50 ? 104 ILE E CD1 1 ATOM 15383 H H . ILE E 1 104 ? 56.538 -6.160 27.360 1.00 8.89 ? 104 ILE E H 1 ATOM 15384 H HA . ILE E 1 104 ? 54.260 -4.863 26.980 1.00 9.27 ? 104 ILE E HA 1 ATOM 15385 H HB . ILE E 1 104 ? 54.767 -7.634 26.961 1.00 11.16 ? 104 ILE E HB 1 ATOM 15386 H HG12 . ILE E 1 104 ? 55.702 -6.502 25.155 1.00 12.46 ? 104 ILE E HG12 1 ATOM 15387 H HG13 . ILE E 1 104 ? 54.569 -7.489 24.660 1.00 12.46 ? 104 ILE E HG13 1 ATOM 15388 H HG21 . ILE E 1 104 ? 52.609 -7.956 26.091 1.00 11.55 ? 104 ILE E HG21 1 ATOM 15389 H HG22 . ILE E 1 104 ? 52.522 -7.354 27.541 1.00 11.55 ? 104 ILE E HG22 1 ATOM 15390 H HG23 . ILE E 1 104 ? 52.299 -6.427 26.291 1.00 11.55 ? 104 ILE E HG23 1 ATOM 15391 H HD11 . ILE E 1 104 ? 54.474 -5.537 23.515 1.00 12.59 ? 104 ILE E HD11 1 ATOM 15392 H HD12 . ILE E 1 104 ? 53.163 -5.718 24.363 1.00 12.59 ? 104 ILE E HD12 1 ATOM 15393 H HD13 . ILE E 1 104 ? 54.289 -4.738 24.856 1.00 12.59 ? 104 ILE E HD13 1 ATOM 15394 N N . ALA E 1 105 ? 52.863 -4.913 28.906 1.00 7.25 ? 105 ALA E N 1 ATOM 15395 C CA . ALA E 1 105 ? 51.934 -4.930 30.040 1.00 7.71 ? 105 ALA E CA 1 ATOM 15396 C C . ALA E 1 105 ? 50.595 -5.515 29.584 1.00 7.07 ? 105 ALA E C 1 ATOM 15397 O O . ALA E 1 105 ? 50.006 -5.062 28.593 1.00 8.46 ? 105 ALA E O 1 ATOM 15398 C CB . ALA E 1 105 ? 51.724 -3.490 30.570 1.00 8.69 ? 105 ALA E CB 1 ATOM 15399 H H . ALA E 1 105 ? 52.666 -4.318 28.318 1.00 8.69 ? 105 ALA E H 1 ATOM 15400 H HA . ALA E 1 105 ? 52.296 -5.485 30.762 1.00 9.24 ? 105 ALA E HA 1 ATOM 15401 H HB1 . ALA E 1 105 ? 51.115 -3.516 31.311 1.00 10.42 ? 105 ALA E HB1 1 ATOM 15402 H HB2 . ALA E 1 105 ? 52.570 -3.135 30.853 1.00 10.42 ? 105 ALA E HB2 1 ATOM 15403 H HB3 . ALA E 1 105 ? 51.360 -2.948 29.865 1.00 10.42 ? 105 ALA E HB3 1 ATOM 15404 N N . GLU E 1 106 ? 50.094 -6.495 30.345 1.00 7.57 ? 106 GLU E N 1 ATOM 15405 C CA . GLU E 1 106 ? 48.821 -7.143 30.041 1.00 8.22 ? 106 GLU E CA 1 ATOM 15406 C C . GLU E 1 106 ? 47.856 -6.938 31.200 1.00 8.69 ? 106 GLU E C 1 ATOM 15407 O O . GLU E 1 106 ? 48.099 -7.484 32.268 1.00 9.61 ? 106 GLU E O 1 ATOM 15408 C CB . GLU E 1 106 ? 48.953 -8.667 29.916 1.00 10.70 ? 106 GLU E CB 1 ATOM 15409 C CG . GLU E 1 106 ? 49.787 -9.158 28.824 1.00 11.33 ? 106 GLU E CG 1 ATOM 15410 C CD . GLU E 1 106 ? 49.741 -10.690 28.698 1.00 15.35 ? 106 GLU E CD 1 ATOM 15411 O OE1 . GLU E 1 106 ? 49.000 -11.380 29.470 1.00 14.76 ? 106 GLU E OE1 1 ATOM 15412 O OE2 . GLU E 1 106 ? 50.487 -11.194 27.813 1.00 16.60 ? 106 GLU E OE2 1 ATOM 15413 H H . GLU E 1 106 ? 50.480 -6.803 31.049 1.00 9.07 ? 106 GLU E H 1 ATOM 15414 H HA . GLU E 1 106 ? 48.433 -6.777 29.219 1.00 9.86 ? 106 GLU E HA 1 ATOM 15415 H HB2 . GLU E 1 106 ? 49.331 -9.008 30.742 1.00 12.83 ? 106 GLU E HB2 1 ATOM 15416 H HB3 . GLU E 1 106 ? 48.067 -9.040 29.790 1.00 12.83 ? 106 GLU E HB3 1 ATOM 15417 H HG2 . GLU E 1 106 ? 49.474 -8.777 27.989 1.00 13.59 ? 106 GLU E HG2 1 ATOM 15418 H HG3 . GLU E 1 106 ? 50.707 -8.896 28.985 1.00 13.59 ? 106 GLU E HG3 1 ATOM 15419 N N . PHE E 1 107 ? 46.788 -6.169 31.002 1.00 6.82 ? 107 PHE E N 1 ATOM 15420 C CA . PHE E 1 107 ? 45.662 -6.161 31.909 1.00 6.11 ? 107 PHE E CA 1 ATOM 15421 C C . PHE E 1 107 ? 44.658 -7.205 31.524 1.00 6.71 ? 107 PHE E C 1 ATOM 15422 O O . PHE E 1 107 ? 44.361 -7.384 30.347 1.00 6.88 ? 107 PHE E O 1 ATOM 15423 C CB . PHE E 1 107 ? 44.931 -4.808 31.907 1.00 6.95 ? 107 PHE E CB 1 ATOM 15424 C CG . PHE E 1 107 ? 45.557 -3.773 32.844 1.00 7.54 ? 107 PHE E CG 1 ATOM 15425 C CD1 . PHE E 1 107 ? 45.300 -3.810 34.208 1.00 6.88 ? 107 PHE E CD1 1 ATOM 15426 C CD2 . PHE E 1 107 ? 46.298 -2.724 32.356 1.00 7.61 ? 107 PHE E CD2 1 ATOM 15427 C CE1 . PHE E 1 107 ? 45.853 -2.854 35.064 1.00 7.50 ? 107 PHE E CE1 1 ATOM 15428 C CE2 . PHE E 1 107 ? 46.835 -1.760 33.225 1.00 7.67 ? 107 PHE E CE2 1 ATOM 15429 C CZ . PHE E 1 107 ? 46.603 -1.835 34.550 1.00 8.03 ? 107 PHE E CZ 1 ATOM 15430 H H . PHE E 1 107 ? 46.698 -5.635 30.334 1.00 8.17 ? 107 PHE E H 1 ATOM 15431 H HA . PHE E 1 107 ? 45.973 -6.346 32.820 1.00 7.32 ? 107 PHE E HA 1 ATOM 15432 H HB2 . PHE E 1 107 ? 44.948 -4.444 31.008 1.00 8.32 ? 107 PHE E HB2 1 ATOM 15433 H HB3 . PHE E 1 107 ? 44.013 -4.947 32.188 1.00 8.32 ? 107 PHE E HB3 1 ATOM 15434 H HD1 . PHE E 1 107 ? 44.793 -4.505 34.562 1.00 8.25 ? 107 PHE E HD1 1 ATOM 15435 H HD2 . PHE E 1 107 ? 46.465 -2.664 31.443 1.00 9.12 ? 107 PHE E HD2 1 ATOM 15436 H HE1 . PHE E 1 107 ? 45.693 -2.899 35.979 1.00 8.99 ? 107 PHE E HE1 1 ATOM 15437 H HE2 . PHE E 1 107 ? 47.355 -1.068 32.885 1.00 9.19 ? 107 PHE E HE2 1 ATOM 15438 H HZ . PHE E 1 107 ? 46.966 -1.196 35.119 1.00 9.63 ? 107 PHE E HZ 1 ATOM 15439 N N . TRP E 1 108 ? 44.093 -7.853 32.544 1.00 5.31 ? 108 TRP E N 1 ATOM 15440 C CA . TRP E 1 108 ? 42.988 -8.789 32.354 1.00 5.75 ? 108 TRP E CA 1 ATOM 15441 C C . TRP E 1 108 ? 41.916 -8.398 33.364 1.00 5.62 ? 108 TRP E C 1 ATOM 15442 O O . TRP E 1 108 ? 42.193 -8.295 34.553 1.00 7.04 ? 108 TRP E O 1 ATOM 15443 C CB . TRP E 1 108 ? 43.450 -10.226 32.669 1.00 6.92 ? 108 TRP E CB 1 ATOM 15444 C CG . TRP E 1 108 ? 44.448 -10.775 31.716 1.00 7.07 ? 108 TRP E CG 1 ATOM 15445 C CD1 . TRP E 1 108 ? 45.762 -10.412 31.601 1.00 11.43 ? 108 TRP E CD1 1 ATOM 15446 C CD2 . TRP E 1 108 ? 44.215 -11.790 30.735 1.00 6.76 ? 108 TRP E CD2 1 ATOM 15447 N NE1 . TRP E 1 108 ? 46.369 -11.159 30.591 1.00 12.22 ? 108 TRP E NE1 1 ATOM 15448 C CE2 . TRP E 1 108 ? 45.432 -12.000 30.049 1.00 8.80 ? 108 TRP E CE2 1 ATOM 15449 C CE3 . TRP E 1 108 ? 43.104 -12.570 30.392 1.00 7.85 ? 108 TRP E CE3 1 ATOM 15450 C CZ2 . TRP E 1 108 ? 45.546 -12.946 29.015 1.00 10.45 ? 108 TRP E CZ2 1 ATOM 15451 C CZ3 . TRP E 1 108 ? 43.229 -13.511 29.346 1.00 10.00 ? 108 TRP E CZ3 1 ATOM 15452 C CH2 . TRP E 1 108 ? 44.444 -13.682 28.695 1.00 11.59 ? 108 TRP E CH2 1 ATOM 15453 H H . TRP E 1 108 ? 44.336 -7.765 33.364 1.00 6.37 ? 108 TRP E H 1 ATOM 15454 H HA . TRP E 1 108 ? 42.630 -8.738 31.443 1.00 6.89 ? 108 TRP E HA 1 ATOM 15455 H HB2 . TRP E 1 108 ? 43.850 -10.237 33.553 1.00 8.29 ? 108 TRP E HB2 1 ATOM 15456 H HB3 . TRP E 1 108 ? 42.676 -10.811 32.654 1.00 8.29 ? 108 TRP E HB3 1 ATOM 15457 H HD1 . TRP E 1 108 ? 46.183 -9.756 32.108 1.00 13.70 ? 108 TRP E HD1 1 ATOM 15458 H HE1 . TRP E 1 108 ? 47.186 -11.085 30.333 1.00 14.65 ? 108 TRP E HE1 1 ATOM 15459 H HE3 . TRP E 1 108 ? 42.288 -12.443 30.819 1.00 9.41 ? 108 TRP E HE3 1 ATOM 15460 H HZ2 . TRP E 1 108 ? 46.355 -13.081 28.576 1.00 12.53 ? 108 TRP E HZ2 1 ATOM 15461 H HZ3 . TRP E 1 108 ? 42.494 -14.022 29.094 1.00 11.98 ? 108 TRP E HZ3 1 ATOM 15462 H HH2 . TRP E 1 108 ? 44.505 -14.311 28.013 1.00 13.89 ? 108 TRP E HH2 1 ATOM 15463 N N . ILE E 1 109 ? 40.702 -8.136 32.890 1.00 5.21 ? 109 ILE E N 1 ATOM 15464 C CA . ILE E 1 109 ? 39.621 -7.642 33.722 1.00 5.48 ? 109 ILE E CA 1 ATOM 15465 C C . ILE E 1 109 ? 38.516 -8.684 33.677 1.00 7.45 ? 109 ILE E C 1 ATOM 15466 O O . ILE E 1 109 ? 37.998 -8.973 32.588 1.00 8.55 ? 109 ILE E O 1 ATOM 15467 C CB . ILE E 1 109 ? 39.117 -6.294 33.172 1.00 6.18 ? 109 ILE E CB 1 ATOM 15468 C CG1 . ILE E 1 109 ? 40.225 -5.250 33.184 1.00 8.73 ? 109 ILE E CG1 1 ATOM 15469 C CG2 . ILE E 1 109 ? 37.875 -5.805 33.948 1.00 10.96 ? 109 ILE E CG2 1 ATOM 15470 C CD1 . ILE E 1 109 ? 40.839 -4.964 34.552 1.00 11.30 ? 109 ILE E CD1 1 ATOM 15471 H H . ILE E 1 109 ? 40.478 -8.240 32.066 1.00 6.23 ? 109 ILE E H 1 ATOM 15472 H HA . ILE E 1 109 ? 39.925 -7.526 34.646 1.00 6.57 ? 109 ILE E HA 1 ATOM 15473 H HB . ILE E 1 109 ? 38.852 -6.433 32.249 1.00 7.40 ? 109 ILE E HB 1 ATOM 15474 H HG12 . ILE E 1 109 ? 40.939 -5.553 32.602 1.00 10.47 ? 109 ILE E HG12 1 ATOM 15475 H HG13 . ILE E 1 109 ? 39.864 -4.415 32.847 1.00 10.47 ? 109 ILE E HG13 1 ATOM 15476 H HG21 . ILE E 1 109 ? 37.589 -4.965 33.581 1.00 13.14 ? 109 ILE E HG21 1 ATOM 15477 H HG22 . ILE E 1 109 ? 37.176 -6.457 33.861 1.00 13.14 ? 109 ILE E HG22 1 ATOM 15478 H HG23 . ILE E 1 109 ? 38.108 -5.695 34.873 1.00 13.14 ? 109 ILE E HG23 1 ATOM 15479 H HD11 . ILE E 1 109 ? 41.523 -4.297 34.454 1.00 13.55 ? 109 ILE E HD11 1 ATOM 15480 H HD12 . ILE E 1 109 ? 40.152 -4.645 35.142 1.00 13.55 ? 109 ILE E HD12 1 ATOM 15481 H HD13 . ILE E 1 109 ? 41.219 -5.774 34.899 1.00 13.55 ? 109 ILE E HD13 1 ATOM 15482 N N . ASN E 1 110 ? 38.164 -9.263 34.817 1.00 6.33 ? 110 ASN E N 1 ATOM 15483 C CA . ASN E 1 110 ? 37.181 -10.356 34.851 1.00 7.25 ? 110 ASN E CA 1 ATOM 15484 C C . ASN E 1 110 ? 37.520 -11.423 33.823 1.00 8.18 ? 110 ASN E C 1 ATOM 15485 O O . ASN E 1 110 ? 36.630 -11.937 33.151 1.00 11.53 ? 110 ASN E O 1 ATOM 15486 C CB . ASN E 1 110 ? 35.766 -9.818 34.658 1.00 9.86 ? 110 ASN E CB 1 ATOM 15487 C CG . ASN E 1 110 ? 35.377 -8.836 35.719 1.00 11.98 ? 110 ASN E CG 1 ATOM 15488 O OD1 . ASN E 1 110 ? 35.771 -8.967 36.890 1.00 9.70 ? 110 ASN E OD1 1 ATOM 15489 N ND2 . ASN E 1 110 ? 34.600 -7.840 35.337 1.00 16.56 ? 110 ASN E ND2 1 ATOM 15490 H H . ASN E 1 110 ? 38.476 -9.046 35.589 1.00 7.59 ? 110 ASN E H 1 ATOM 15491 H HA . ASN E 1 110 ? 37.216 -10.778 35.735 1.00 8.69 ? 110 ASN E HA 1 ATOM 15492 H HB2 . ASN E 1 110 ? 35.712 -9.369 33.799 1.00 11.82 ? 110 ASN E HB2 1 ATOM 15493 H HB3 . ASN E 1 110 ? 35.139 -10.557 34.687 1.00 11.82 ? 110 ASN E HB3 1 ATOM 15494 H HD21 . ASN E 1 110 ? 34.312 -7.166 35.987 1.00 19.86 ? 110 ASN E HD21 1 ATOM 15495 H HD22 . ASN E 1 110 ? 34.312 -7.775 34.403 1.00 19.86 ? 110 ASN E HD22 1 ATOM 15496 N N . GLY E 1 111 ? 38.779 -11.777 33.736 1.00 7.72 ? 111 GLY E N 1 ATOM 15497 C CA . GLY E 1 111 ? 39.240 -12.855 32.885 1.00 10.49 ? 111 GLY E CA 1 ATOM 15498 C C . GLY E 1 111 ? 39.328 -12.517 31.403 1.00 9.85 ? 111 GLY E C 1 ATOM 15499 O O . GLY E 1 111 ? 39.674 -13.399 30.589 1.00 15.30 ? 111 GLY E O 1 ATOM 15500 H H . GLY E 1 111 ? 39.413 -11.396 34.175 1.00 9.25 ? 111 GLY E H 1 ATOM 15501 H HA2 . GLY E 1 111 ? 40.121 -13.133 33.180 1.00 12.57 ? 111 GLY E HA2 1 ATOM 15502 H HA3 . GLY E 1 111 ? 38.640 -13.611 32.983 1.00 12.57 ? 111 GLY E HA3 1 ATOM 15503 N N . THR E 1 112 ? 39.086 -11.269 31.036 1.00 9.04 ? 112 THR E N 1 ATOM 15504 C CA A THR E 1 112 ? 39.096 -10.776 29.641 0.62 8.29 ? 112 THR E CA 1 ATOM 15505 C CA B THR E 1 112 ? 39.223 -10.916 29.647 0.38 10.72 ? 112 THR E CA 1 ATOM 15506 C C . THR E 1 112 ? 40.379 -9.970 29.425 1.00 8.26 ? 112 THR E C 1 ATOM 15507 O O . THR E 1 112 ? 40.627 -9.012 30.165 1.00 8.48 ? 112 THR E O 1 ATOM 15508 C CB A THR E 1 112 ? 37.921 -9.819 29.374 0.62 10.30 ? 112 THR E CB 1 ATOM 15509 C CB B THR E 1 112 ? 37.962 -10.360 29.103 0.38 10.28 ? 112 THR E CB 1 ATOM 15510 O OG1 A THR E 1 112 ? 36.674 -10.521 29.471 0.62 14.62 ? 112 THR E OG1 1 ATOM 15511 O OG1 B THR E 1 112 ? 37.709 -9.079 29.683 0.38 9.91 ? 112 THR E OG1 1 ATOM 15512 C CG2 A THR E 1 112 ? 38.014 -9.173 27.959 0.62 11.71 ? 112 THR E CG2 1 ATOM 15513 C CG2 B THR E 1 112 ? 36.820 -11.303 29.429 0.38 6.87 ? 112 THR E CG2 1 ATOM 15514 H H A THR E 1 112 ? 38.902 -10.647 31.601 0.62 10.84 ? 112 THR E H 1 ATOM 15515 H H B THR E 1 112 ? 38.847 -10.629 31.558 0.38 10.84 ? 112 THR E H 1 ATOM 15516 H HA A THR E 1 112 ? 39.064 -11.524 29.008 0.62 9.93 ? 112 THR E HA 1 ATOM 15517 H HA B THR E 1 112 ? 39.419 -11.733 29.143 0.38 12.86 ? 112 THR E HA 1 ATOM 15518 H HB A THR E 1 112 ? 37.936 -9.107 30.032 0.62 12.35 ? 112 THR E HB 1 ATOM 15519 H HB B THR E 1 112 ? 38.030 -10.275 28.139 0.38 12.32 ? 112 THR E HB 1 ATOM 15520 H HG1 A THR E 1 112 ? 36.589 -10.839 30.222 0.62 17.54 ? 112 THR E HG1 1 ATOM 15521 H HG1 B THR E 1 112 ? 37.642 -9.148 30.497 0.38 11.87 ? 112 THR E HG1 1 ATOM 15522 H HG21 A THR E 1 112 ? 37.271 -8.582 27.818 0.62 14.05 ? 112 THR E HG21 1 ATOM 15523 H HG21 B THR E 1 112 ? 35.996 -10.953 29.081 0.38 8.23 ? 112 THR E HG21 1 ATOM 15524 H HG22 A THR E 1 112 ? 38.830 -8.673 27.879 0.62 14.05 ? 112 THR E HG22 1 ATOM 15525 H HG22 B THR E 1 112 ? 36.983 -12.164 29.037 0.38 8.23 ? 112 THR E HG22 1 ATOM 15526 H HG23 A THR E 1 112 ? 38.000 -9.857 27.285 0.62 14.05 ? 112 THR E HG23 1 ATOM 15527 H HG23 B THR E 1 112 ? 36.739 -11.404 30.380 0.38 8.23 ? 112 THR E HG23 1 ATOM 15528 N N . PRO E 1 113 ? 41.156 -10.290 28.397 1.00 6.79 ? 113 PRO E N 1 ATOM 15529 C CA . PRO E 1 113 ? 42.363 -9.525 28.126 1.00 6.26 ? 113 PRO E CA 1 ATOM 15530 C C . PRO E 1 113 ? 42.096 -8.185 27.477 1.00 7.15 ? 113 PRO E C 1 ATOM 15531 O O . PRO E 1 113 ? 41.286 -8.083 26.546 1.00 8.43 ? 113 PRO E O 1 ATOM 15532 C CB . PRO E 1 113 ? 43.145 -10.412 27.176 1.00 7.31 ? 113 PRO E CB 1 ATOM 15533 C CG . PRO E 1 113 ? 42.092 -11.157 26.420 1.00 7.72 ? 113 PRO E CG 1 ATOM 15534 C CD . PRO E 1 113 ? 40.993 -11.409 27.443 1.00 8.47 ? 113 PRO E CD 1 ATOM 15535 H HA . PRO E 1 113 ? 42.879 -9.394 28.949 1.00 7.50 ? 113 PRO E HA 1 ATOM 15536 H HB2 . PRO E 1 113 ? 43.678 -9.865 26.578 1.00 8.76 ? 113 PRO E HB2 1 ATOM 15537 H HB3 . PRO E 1 113 ? 43.705 -11.022 27.681 1.00 8.76 ? 113 PRO E HB3 1 ATOM 15538 H HG2 . PRO E 1 113 ? 41.765 -10.611 25.689 1.00 9.26 ? 113 PRO E HG2 1 ATOM 15539 H HG3 . PRO E 1 113 ? 42.455 -11.994 26.091 1.00 9.26 ? 113 PRO E HG3 1 ATOM 15540 H HD2 . PRO E 1 113 ? 40.121 -11.369 27.019 1.00 10.16 ? 113 PRO E HD2 1 ATOM 15541 H HD3 . PRO E 1 113 ? 41.133 -12.258 27.890 1.00 10.16 ? 113 PRO E HD3 1 ATOM 15542 N N . LEU E 1 114 ? 42.665 -7.137 28.043 1.00 6.11 ? 114 LEU E N 1 ATOM 15543 C CA . LEU E 1 114 ? 42.652 -5.808 27.412 1.00 7.35 ? 114 LEU E CA 1 ATOM 15544 C C . LEU E 1 114 ? 43.714 -5.759 26.324 1.00 5.77 ? 114 LEU E C 1 ATOM 15545 O O . LEU E 1 114 ? 44.572 -6.652 26.212 1.00 7.26 ? 114 LEU E O 1 ATOM 15546 C CB . LEU E 1 114 ? 42.863 -4.710 28.454 1.00 6.08 ? 114 LEU E CB 1 ATOM 15547 C CG . LEU E 1 114 ? 41.949 -4.718 29.673 1.00 9.35 ? 114 LEU E CG 1 ATOM 15548 C CD1 . LEU E 1 114 ? 41.979 -3.339 30.354 1.00 7.80 ? 114 LEU E CD1 1 ATOM 15549 C CD2 . LEU E 1 114 ? 40.553 -5.156 29.391 1.00 11.46 ? 114 LEU E CD2 1 ATOM 15550 H H . LEU E 1 114 ? 43.072 -7.159 28.800 1.00 7.31 ? 114 LEU E H 1 ATOM 15551 H HA . LEU E 1 114 ? 41.779 -5.662 26.991 1.00 8.80 ? 114 LEU E HA 1 ATOM 15552 H HB2 . LEU E 1 114 ? 43.773 -4.777 28.781 1.00 7.28 ? 114 LEU E HB2 1 ATOM 15553 H HB3 . LEU E 1 114 ? 42.744 -3.853 28.016 1.00 7.28 ? 114 LEU E HB3 1 ATOM 15554 H HG . LEU E 1 114 ? 42.315 -5.352 30.310 1.00 11.21 ? 114 LEU E HG 1 ATOM 15555 H HD11 . LEU E 1 114 ? 41.401 -3.356 31.120 1.00 9.34 ? 114 LEU E HD11 1 ATOM 15556 H HD12 . LEU E 1 114 ? 42.879 -3.145 30.627 1.00 9.34 ? 114 LEU E HD12 1 ATOM 15557 H HD13 . LEU E 1 114 ? 41.677 -2.675 29.729 1.00 9.34 ? 114 LEU E HD13 1 ATOM 15558 H HD21 . LEU E 1 114 ? 40.048 -5.133 30.207 1.00 13.74 ? 114 LEU E HD21 1 ATOM 15559 H HD22 . LEU E 1 114 ? 40.163 -4.561 28.747 1.00 13.74 ? 114 LEU E HD22 1 ATOM 15560 H HD23 . LEU E 1 114 ? 40.571 -6.051 29.043 1.00 13.74 ? 114 LEU E HD23 1 ATOM 15561 N N . VAL E 1 115 ? 43.711 -4.692 25.546 1.00 6.36 ? 115 VAL E N 1 ATOM 15562 C CA . VAL E 1 115 ? 44.730 -4.501 24.520 1.00 5.96 ? 115 VAL E CA 1 ATOM 15563 C C . VAL E 1 115 ? 46.088 -4.362 25.199 1.00 6.30 ? 115 VAL E C 1 ATOM 15564 O O . VAL E 1 115 ? 46.234 -3.614 26.177 1.00 7.26 ? 115 VAL E O 1 ATOM 15565 C CB . VAL E 1 115 ? 44.447 -3.223 23.709 1.00 6.33 ? 115 VAL E CB 1 ATOM 15566 C CG1 . VAL E 1 115 ? 45.554 -2.990 22.700 1.00 6.64 ? 115 VAL E CG1 1 ATOM 15567 C CG2 . VAL E 1 115 ? 43.095 -3.295 23.016 1.00 7.44 ? 115 VAL E CG2 1 ATOM 15568 H H . VAL E 1 115 ? 43.131 -4.059 25.589 1.00 7.62 ? 115 VAL E H 1 ATOM 15569 H HA . VAL E 1 115 ? 44.749 -5.271 23.914 1.00 7.14 ? 115 VAL E HA 1 ATOM 15570 H HB . VAL E 1 115 ? 44.431 -2.457 24.320 1.00 7.58 ? 115 VAL E HB 1 ATOM 15571 H HG11 . VAL E 1 115 ? 45.361 -2.190 22.205 1.00 7.96 ? 115 VAL E HG11 1 ATOM 15572 H HG12 . VAL E 1 115 ? 46.387 -2.893 23.168 1.00 7.96 ? 115 VAL E HG12 1 ATOM 15573 H HG13 . VAL E 1 115 ? 45.597 -3.742 22.105 1.00 7.96 ? 115 VAL E HG13 1 ATOM 15574 H HG21 . VAL E 1 115 ? 42.955 -2.484 22.522 1.00 8.92 ? 115 VAL E HG21 1 ATOM 15575 H HG22 . VAL E 1 115 ? 43.090 -4.047 22.419 1.00 8.92 ? 115 VAL E HG22 1 ATOM 15576 H HG23 . VAL E 1 115 ? 42.409 -3.398 23.679 1.00 8.92 ? 115 VAL E HG23 1 ATOM 15577 N N . LYS E 1 116 ? 47.073 -5.124 24.751 1.00 6.68 ? 116 LYS E N 1 ATOM 15578 C CA . LYS E 1 116 ? 48.424 -5.008 25.288 1.00 6.14 ? 116 LYS E CA 1 ATOM 15579 C C . LYS E 1 116 ? 49.013 -3.633 25.028 1.00 8.52 ? 116 LYS E C 1 ATOM 15580 O O . LYS E 1 116 ? 48.781 -3.058 23.955 1.00 8.77 ? 116 LYS E O 1 ATOM 15581 C CB . LYS E 1 116 ? 49.330 -6.067 24.649 1.00 7.76 ? 116 LYS E CB 1 ATOM 15582 C CG . LYS E 1 116 ? 49.137 -7.463 25.171 1.00 9.00 ? 116 LYS E CG 1 ATOM 15583 C CD . LYS E 1 116 ? 49.934 -8.436 24.270 1.00 11.92 ? 116 LYS E CD 1 ATOM 15584 C CE . LYS E 1 116 ? 50.181 -9.777 24.871 1.00 13.27 ? 116 LYS E CE 1 ATOM 15585 N NZ . LYS E 1 116 ? 48.957 -10.598 25.005 1.00 12.90 ? 116 LYS E NZ 1 ATOM 15586 H H . LYS E 1 116 ? 46.988 -5.718 24.135 1.00 8.01 ? 116 LYS E H 1 ATOM 15587 H HA . LYS E 1 116 ? 48.405 -5.159 26.256 1.00 7.36 ? 116 LYS E HA 1 ATOM 15588 H HB2 . LYS E 1 116 ? 49.159 -6.085 23.694 1.00 9.31 ? 116 LYS E HB2 1 ATOM 15589 H HB3 . LYS E 1 116 ? 50.255 -5.820 24.809 1.00 9.31 ? 116 LYS E HB3 1 ATOM 15590 H HG2 . LYS E 1 116 ? 49.476 -7.526 26.078 1.00 10.79 ? 116 LYS E HG2 1 ATOM 15591 H HG3 . LYS E 1 116 ? 48.197 -7.701 25.136 1.00 10.79 ? 116 LYS E HG3 1 ATOM 15592 H HD2 . LYS E 1 116 ? 49.440 -8.570 23.446 1.00 14.30 ? 116 LYS E HD2 1 ATOM 15593 H HD3 . LYS E 1 116 ? 50.797 -8.039 24.072 1.00 14.30 ? 116 LYS E HD3 1 ATOM 15594 H HE2 . LYS E 1 116 ? 50.805 -10.263 24.310 1.00 15.91 ? 116 LYS E HE2 1 ATOM 15595 H HE3 . LYS E 1 116 ? 50.558 -9.659 25.757 1.00 15.91 ? 116 LYS E HE3 1 ATOM 15596 H HZ1 . LYS E 1 116 ? 48.563 -10.743 24.141 1.00 15.47 ? 116 LYS E HZ1 1 ATOM 15597 H HZ2 . LYS E 1 116 ? 49.172 -11.447 25.396 1.00 15.47 ? 116 LYS E HZ2 1 ATOM 15598 H HZ3 . LYS E 1 116 ? 48.320 -10.148 25.566 1.00 15.47 ? 116 LYS E HZ3 1 ATOM 15599 N N . LYS E 1 117 ? 49.809 -3.122 25.981 1.00 7.01 ? 117 LYS E N 1 ATOM 15600 C CA . LYS E 1 117 ? 50.577 -1.904 25.776 1.00 6.26 ? 117 LYS E CA 1 ATOM 15601 C C . LYS E 1 117 ? 52.007 -2.200 26.221 1.00 7.92 ? 117 LYS E C 1 ATOM 15602 O O . LYS E 1 117 ? 52.299 -3.297 26.706 1.00 11.04 ? 117 LYS E O 1 ATOM 15603 C CB . LYS E 1 117 ? 49.995 -0.753 26.590 1.00 8.74 ? 117 LYS E CB 1 ATOM 15604 C CG . LYS E 1 117 ? 48.534 -0.437 26.222 1.00 8.60 ? 117 LYS E CG 1 ATOM 15605 C CD . LYS E 1 117 ? 48.367 0.161 24.830 1.00 10.13 ? 117 LYS E CD 1 ATOM 15606 C CE . LYS E 1 117 ? 46.929 0.159 24.336 1.00 9.70 ? 117 LYS E CE 1 ATOM 15607 N NZ . LYS E 1 117 ? 46.005 0.984 25.197 1.00 11.22 ? 117 LYS E NZ 1 ATOM 15608 H H . LYS E 1 117 ? 49.916 -3.474 26.758 1.00 8.40 ? 117 LYS E H 1 ATOM 15609 H HA . LYS E 1 117 ? 50.579 -1.660 24.827 1.00 7.50 ? 117 LYS E HA 1 ATOM 15610 H HB2 . LYS E 1 117 ? 50.023 -0.987 27.531 1.00 10.48 ? 117 LYS E HB2 1 ATOM 15611 H HB3 . LYS E 1 117 ? 50.523 0.045 26.431 1.00 10.48 ? 117 LYS E HB3 1 ATOM 15612 H HG2 . LYS E 1 117 ? 48.019 -1.258 26.256 1.00 10.30 ? 117 LYS E HG2 1 ATOM 15613 H HG3 . LYS E 1 117 ? 48.181 0.200 26.862 1.00 10.30 ? 117 LYS E HG3 1 ATOM 15614 H HD2 . LYS E 1 117 ? 48.675 1.080 24.845 1.00 12.15 ? 117 LYS E HD2 1 ATOM 15615 H HD3 . LYS E 1 117 ? 48.898 -0.355 24.202 1.00 12.15 ? 117 LYS E HD3 1 ATOM 15616 H HE2 . LYS E 1 117 ? 46.905 0.524 23.437 1.00 11.63 ? 117 LYS E HE2 1 ATOM 15617 H HE3 . LYS E 1 117 ? 46.599 -0.753 24.331 1.00 11.63 ? 117 LYS E HE3 1 ATOM 15618 H HZ1 . LYS E 1 117 ? 45.999 0.641 26.093 1.00 13.45 ? 117 LYS E HZ1 1 ATOM 15619 H HZ2 . LYS E 1 117 ? 46.301 1.897 25.213 1.00 13.45 ? 117 LYS E HZ2 1 ATOM 15620 H HZ3 . LYS E 1 117 ? 45.112 0.952 24.845 1.00 13.45 ? 117 LYS E HZ3 1 ATOM 15621 N N . GLY E 1 118 ? 52.927 -1.281 25.995 1.00 8.31 ? 118 GLY E N 1 ATOM 15622 C CA . GLY E 1 118 ? 54.301 -1.554 26.337 1.00 8.20 ? 118 GLY E CA 1 ATOM 15623 C C . GLY E 1 118 ? 55.005 -0.320 26.844 1.00 7.55 ? 118 GLY E C 1 ATOM 15624 O O . GLY E 1 118 ? 54.787 0.784 26.357 1.00 9.50 ? 118 GLY E O 1 ATOM 15625 H H . GLY E 1 118 ? 52.783 -0.506 25.651 1.00 9.96 ? 118 GLY E H 1 ATOM 15626 H HA2 . GLY E 1 118 ? 54.337 -2.236 27.026 1.00 9.82 ? 118 GLY E HA2 1 ATOM 15627 H HA3 . GLY E 1 118 ? 54.773 -1.879 25.554 1.00 9.82 ? 118 GLY E HA3 1 ATOM 15628 N N . LEU E 1 119 ? 55.899 -0.556 27.780 1.00 6.39 ? 119 LEU E N 1 ATOM 15629 C CA . LEU E 1 119 ? 56.710 0.481 28.403 1.00 6.75 ? 119 LEU E CA 1 ATOM 15630 C C . LEU E 1 119 ? 57.925 -0.104 29.108 1.00 8.23 ? 119 LEU E C 1 ATOM 15631 O O . LEU E 1 119 ? 57.939 -1.274 29.531 1.00 8.37 ? 119 LEU E O 1 ATOM 15632 C CB . LEU E 1 119 ? 55.902 1.266 29.428 1.00 8.01 ? 119 LEU E CB 1 ATOM 15633 C CG . LEU E 1 119 ? 55.524 0.624 30.772 1.00 6.51 ? 119 LEU E CG 1 ATOM 15634 C CD1 . LEU E 1 119 ? 54.885 1.627 31.741 1.00 8.40 ? 119 LEU E CD1 1 ATOM 15635 C CD2 . LEU E 1 119 ? 54.588 -0.629 30.629 1.00 8.83 ? 119 LEU E CD2 1 ATOM 15636 H H . LEU E 1 119 ? 56.065 -1.342 28.088 1.00 7.66 ? 119 LEU E H 1 ATOM 15637 H HA . LEU E 1 119 ? 57.023 1.105 27.714 1.00 8.09 ? 119 LEU E HA 1 ATOM 15638 H HB2 . LEU E 1 119 ? 56.404 2.068 29.640 1.00 9.60 ? 119 LEU E HB2 1 ATOM 15639 H HB3 . LEU E 1 119 ? 55.069 1.524 29.004 1.00 9.60 ? 119 LEU E HB3 1 ATOM 15640 H HG . LEU E 1 119 ? 56.343 0.315 31.190 1.00 7.80 ? 119 LEU E HG 1 ATOM 15641 H HD11 . LEU E 1 119 ? 54.670 1.175 32.560 1.00 10.07 ? 119 LEU E HD11 1 ATOM 15642 H HD12 . LEU E 1 119 ? 55.509 2.336 31.912 1.00 10.07 ? 119 LEU E HD12 1 ATOM 15643 H HD13 . LEU E 1 119 ? 54.087 1.981 31.343 1.00 10.07 ? 119 LEU E HD13 1 ATOM 15644 H HD21 . LEU E 1 119 ? 54.395 -0.975 31.504 1.00 10.59 ? 119 LEU E HD21 1 ATOM 15645 H HD22 . LEU E 1 119 ? 53.775 -0.363 30.195 1.00 10.59 ? 119 LEU E HD22 1 ATOM 15646 H HD23 . LEU E 1 119 ? 55.037 -1.296 30.105 1.00 10.59 ? 119 LEU E HD23 1 ATOM 15647 N N . ARG E 1 120 ? 58.959 0.721 29.240 1.00 8.70 ? 120 ARG E N 1 ATOM 15648 C CA . ARG E 1 120 ? 60.114 0.362 30.038 1.00 7.38 ? 120 ARG E CA 1 ATOM 15649 C C . ARG E 1 120 ? 60.796 -0.940 29.626 1.00 7.06 ? 120 ARG E C 1 ATOM 15650 O O . ARG E 1 120 ? 61.312 -1.671 30.469 1.00 8.37 ? 120 ARG E O 1 ATOM 15651 C CB . ARG E 1 120 ? 59.677 0.362 31.512 1.00 7.78 ? 120 ARG E CB 1 ATOM 15652 C CG . ARG E 1 120 ? 59.480 1.771 32.050 1.00 9.40 ? 120 ARG E CG 1 ATOM 15653 C CD . ARG E 1 120 ? 60.832 2.411 32.179 1.00 13.99 ? 120 ARG E CD 1 ATOM 15654 N NE . ARG E 1 120 ? 60.803 3.473 33.142 1.00 11.06 ? 120 ARG E NE 1 ATOM 15655 C CZ . ARG E 1 120 ? 61.832 4.300 33.319 1.00 11.03 ? 120 ARG E CZ 1 ATOM 15656 N NH1 . ARG E 1 120 ? 61.771 5.236 34.231 1.00 12.78 ? 120 ARG E NH1 1 ATOM 15657 N NH2 . ARG E 1 120 ? 62.916 4.195 32.552 1.00 13.68 ? 120 ARG E NH2 1 ATOM 15658 H H . ARG E 1 120 ? 59.013 1.497 28.874 1.00 10.43 ? 120 ARG E H 1 ATOM 15659 H HA . ARG E 1 120 ? 60.780 1.074 29.938 1.00 8.85 ? 120 ARG E HA 1 ATOM 15660 H HB2 . ARG E 1 120 ? 58.835 -0.113 31.595 1.00 9.33 ? 120 ARG E HB2 1 ATOM 15661 H HB3 . ARG E 1 120 ? 60.360 -0.073 32.047 1.00 9.33 ? 120 ARG E HB3 1 ATOM 15662 H HG2 . ARG E 1 120 ? 58.944 2.289 31.430 1.00 11.27 ? 120 ARG E HG2 1 ATOM 15663 H HG3 . ARG E 1 120 ? 59.063 1.736 32.925 1.00 11.27 ? 120 ARG E HG3 1 ATOM 15664 H HD2 . ARG E 1 120 ? 61.476 1.748 32.473 1.00 16.77 ? 120 ARG E HD2 1 ATOM 15665 H HD3 . ARG E 1 120 ? 61.096 2.782 31.322 1.00 16.77 ? 120 ARG E HD3 1 ATOM 15666 H HE . ARG E 1 120 ? 60.122 3.441 33.832 1.00 13.26 ? 120 ARG E HE 1 ATOM 15667 H HH11 . ARG E 1 120 ? 61.068 5.315 34.720 1.00 15.32 ? 120 ARG E HH11 1 ATOM 15668 H HH12 . ARG E 1 120 ? 62.428 5.782 34.331 1.00 15.32 ? 120 ARG E HH12 1 ATOM 15669 H HH21 . ARG E 1 120 ? 62.963 3.577 31.957 1.00 16.41 ? 120 ARG E HH21 1 ATOM 15670 H HH22 . ARG E 1 120 ? 63.575 4.735 32.664 1.00 16.41 ? 120 ARG E HH22 1 ATOM 15671 N N . GLN E 1 121 ? 60.848 -1.218 28.336 1.00 8.24 ? 121 GLN E N 1 ATOM 15672 C CA . GLN E 1 121 ? 61.541 -2.411 27.888 1.00 7.85 ? 121 GLN E CA 1 ATOM 15673 C C . GLN E 1 121 ? 62.980 -2.373 28.407 1.00 9.62 ? 121 GLN E C 1 ATOM 15674 O O . GLN E 1 121 ? 63.684 -1.358 28.225 1.00 10.21 ? 121 GLN E O 1 ATOM 15675 C CB . GLN E 1 121 ? 61.509 -2.477 26.357 1.00 8.62 ? 121 GLN E CB 1 ATOM 15676 C CG . GLN E 1 121 ? 62.241 -3.688 25.784 1.00 10.25 ? 121 GLN E CG 1 ATOM 15677 C CD . GLN E 1 121 ? 62.127 -3.755 24.288 1.00 10.62 ? 121 GLN E CD 1 ATOM 15678 O OE1 . GLN E 1 121 ? 62.160 -2.717 23.594 1.00 13.74 ? 121 GLN E OE1 1 ATOM 15679 N NE2 . GLN E 1 121 ? 61.989 -4.968 23.758 1.00 11.85 ? 121 GLN E NE2 1 ATOM 15680 H H . GLN E 1 121 ? 60.497 -0.744 27.710 1.00 9.87 ? 121 GLN E H 1 ATOM 15681 H HA . GLN E 1 121 ? 61.097 -3.207 28.247 1.00 9.41 ? 121 GLN E HA 1 ATOM 15682 H HB2 . GLN E 1 121 ? 60.585 -2.521 26.065 1.00 10.34 ? 121 GLN E HB2 1 ATOM 15683 H HB3 . GLN E 1 121 ? 61.930 -1.679 26.000 1.00 10.34 ? 121 GLN E HB3 1 ATOM 15684 H HG2 . GLN E 1 121 ? 63.181 -3.631 26.014 1.00 12.29 ? 121 GLN E HG2 1 ATOM 15685 H HG3 . GLN E 1 121 ? 61.855 -4.498 26.154 1.00 12.29 ? 121 GLN E HG3 1 ATOM 15686 H HE21 . GLN E 1 121 ? 61.920 -5.060 22.906 1.00 14.21 ? 121 GLN E HE21 1 ATOM 15687 H HE22 . GLN E 1 121 ? 61.970 -5.660 24.269 1.00 14.21 ? 121 GLN E HE22 1 ATOM 15688 N N . GLY E 1 122 ? 63.410 -3.458 29.021 1.00 9.14 ? 122 GLY E N 1 ATOM 15689 C CA . GLY E 1 122 ? 64.787 -3.542 29.508 1.00 8.24 ? 122 GLY E CA 1 ATOM 15690 C C . GLY E 1 122 ? 65.004 -3.067 30.921 1.00 9.82 ? 122 GLY E C 1 ATOM 15691 O O . GLY E 1 122 ? 66.073 -3.339 31.499 1.00 10.44 ? 122 GLY E O 1 ATOM 15692 H H . GLY E 1 122 ? 62.935 -4.159 29.171 1.00 10.96 ? 122 GLY E H 1 ATOM 15693 H HA2 . GLY E 1 122 ? 65.081 -4.465 29.457 1.00 9.88 ? 122 GLY E HA2 1 ATOM 15694 H HA3 . GLY E 1 122 ? 65.357 -3.015 28.927 1.00 9.88 ? 122 GLY E HA3 1 ATOM 15695 N N . TYR E 1 123 ? 64.030 -2.369 31.512 1.00 8.94 ? 123 TYR E N 1 ATOM 15696 C CA . TYR E 1 123 ? 64.111 -1.845 32.854 1.00 7.12 ? 123 TYR E CA 1 ATOM 15697 C C . TYR E 1 123 ? 63.914 -2.948 33.895 1.00 9.24 ? 123 TYR E C 1 ATOM 15698 O O . TYR E 1 123 ? 63.331 -4.003 33.623 1.00 10.89 ? 123 TYR E O 1 ATOM 15699 C CB . TYR E 1 123 ? 62.971 -0.808 32.984 1.00 10.04 ? 123 TYR E CB 1 ATOM 15700 C CG . TYR E 1 123 ? 62.889 -0.035 34.290 1.00 10.00 ? 123 TYR E CG 1 ATOM 15701 C CD1 . TYR E 1 123 ? 63.840 0.914 34.609 1.00 9.19 ? 123 TYR E CD1 1 ATOM 15702 C CD2 . TYR E 1 123 ? 61.888 -0.276 35.229 1.00 9.05 ? 123 TYR E CD2 1 ATOM 15703 C CE1 . TYR E 1 123 ? 63.769 1.629 35.787 1.00 9.40 ? 123 TYR E CE1 1 ATOM 15704 C CE2 . TYR E 1 123 ? 61.824 0.421 36.399 1.00 8.14 ? 123 TYR E CE2 1 ATOM 15705 C CZ . TYR E 1 123 ? 62.754 1.382 36.684 1.00 8.27 ? 123 TYR E CZ 1 ATOM 15706 O OH . TYR E 1 123 ? 62.765 2.070 37.868 1.00 11.45 ? 123 TYR E OH 1 ATOM 15707 H H . TYR E 1 123 ? 63.283 -2.185 31.127 1.00 10.72 ? 123 TYR E H 1 ATOM 15708 H HA . TYR E 1 123 ? 64.974 -1.405 33.001 1.00 8.54 ? 123 TYR E HA 1 ATOM 15709 H HB2 . TYR E 1 123 ? 63.073 -0.157 32.272 1.00 12.03 ? 123 TYR E HB2 1 ATOM 15710 H HB3 . TYR E 1 123 ? 62.127 -1.272 32.874 1.00 12.03 ? 123 TYR E HB3 1 ATOM 15711 H HD1 . TYR E 1 123 ? 64.519 1.101 34.002 1.00 11.01 ? 123 TYR E HD1 1 ATOM 15712 H HD2 . TYR E 1 123 ? 61.237 -0.914 35.044 1.00 10.85 ? 123 TYR E HD2 1 ATOM 15713 H HE1 . TYR E 1 123 ? 64.419 2.264 35.984 1.00 11.27 ? 123 TYR E HE1 1 ATOM 15714 H HE2 . TYR E 1 123 ? 61.143 0.242 37.007 1.00 9.76 ? 123 TYR E HE2 1 ATOM 15715 H HH . TYR E 1 123 ? 62.809 1.545 38.497 1.00 13.73 ? 123 TYR E HH 1 ATOM 15716 N N . PHE E 1 124 ? 64.407 -2.714 35.101 1.00 8.83 ? 124 PHE E N 1 ATOM 15717 C CA . PHE E 1 124 ? 64.082 -3.557 36.228 1.00 10.12 ? 124 PHE E CA 1 ATOM 15718 C C . PHE E 1 124 ? 63.407 -2.726 37.306 1.00 11.91 ? 124 PHE E C 1 ATOM 15719 O O . PHE E 1 124 ? 63.916 -1.675 37.720 1.00 11.81 ? 124 PHE E O 1 ATOM 15720 C CB . PHE E 1 124 ? 65.340 -4.192 36.851 1.00 12.47 ? 124 PHE E CB 1 ATOM 15721 C CG . PHE E 1 124 ? 65.935 -5.350 36.062 1.00 15.02 ? 124 PHE E CG 1 ATOM 15722 C CD1 . PHE E 1 124 ? 66.467 -5.167 34.817 1.00 17.08 ? 124 PHE E CD1 1 ATOM 15723 C CD2 . PHE E 1 124 ? 66.005 -6.622 36.630 1.00 20.33 ? 124 PHE E CD2 1 ATOM 15724 C CE1 . PHE E 1 124 ? 67.059 -6.239 34.108 1.00 18.51 ? 124 PHE E CE1 1 ATOM 15725 C CE2 . PHE E 1 124 ? 66.569 -7.711 35.940 1.00 19.87 ? 124 PHE E CE2 1 ATOM 15726 C CZ . PHE E 1 124 ? 67.098 -7.509 34.666 1.00 18.70 ? 124 PHE E CZ 1 ATOM 15727 H H . PHE E 1 124 ? 64.939 -2.065 35.290 1.00 10.58 ? 124 PHE E H 1 ATOM 15728 H HA . PHE E 1 124 ? 63.472 -4.270 35.947 1.00 12.13 ? 124 PHE E HA 1 ATOM 15729 H HB2 . PHE E 1 124 ? 66.024 -3.509 36.928 1.00 14.95 ? 124 PHE E HB2 1 ATOM 15730 H HB3 . PHE E 1 124 ? 65.113 -4.526 37.733 1.00 14.95 ? 124 PHE E HB3 1 ATOM 15731 H HD1 . PHE E 1 124 ? 66.448 -4.321 34.432 1.00 20.49 ? 124 PHE E HD1 1 ATOM 15732 H HD2 . PHE E 1 124 ? 65.650 -6.759 37.478 1.00 24.39 ? 124 PHE E HD2 1 ATOM 15733 H HE1 . PHE E 1 124 ? 67.400 -6.098 33.255 1.00 22.20 ? 124 PHE E HE1 1 ATOM 15734 H HE2 . PHE E 1 124 ? 66.593 -8.554 36.331 1.00 23.83 ? 124 PHE E HE2 1 ATOM 15735 H HZ . PHE E 1 124 ? 67.477 -8.217 34.197 1.00 22.43 ? 124 PHE E HZ 1 ATOM 15736 N N . VAL E 1 125 ? 62.260 -3.215 37.779 1.00 11.18 ? 125 VAL E N 1 ATOM 15737 C CA . VAL E 1 125 ? 61.590 -2.528 38.894 1.00 10.98 ? 125 VAL E CA 1 ATOM 15738 C C . VAL E 1 125 ? 62.440 -2.661 40.147 1.00 11.03 ? 125 VAL E C 1 ATOM 15739 O O . VAL E 1 125 ? 62.853 -3.761 40.491 1.00 10.82 ? 125 VAL E O 1 ATOM 15740 C CB . VAL E 1 125 ? 60.187 -3.120 39.123 1.00 12.19 ? 125 VAL E CB 1 ATOM 15741 C CG1 . VAL E 1 125 ? 59.544 -2.543 40.344 1.00 11.39 ? 125 VAL E CG1 1 ATOM 15742 C CG2 . VAL E 1 125 ? 59.306 -2.880 37.898 1.00 15.64 ? 125 VAL E CG2 1 ATOM 15743 H H . VAL E 1 125 ? 61.859 -3.917 37.487 1.00 13.40 ? 125 VAL E H 1 ATOM 15744 H HA . VAL E 1 125 ? 61.495 -1.576 38.682 1.00 13.17 ? 125 VAL E HA 1 ATOM 15745 H HB . VAL E 1 125 ? 60.267 -4.088 39.253 1.00 14.62 ? 125 VAL E HB 1 ATOM 15746 H HG11 . VAL E 1 125 ? 58.674 -2.935 40.453 1.00 13.65 ? 125 VAL E HG11 1 ATOM 15747 H HG12 . VAL E 1 125 ? 60.091 -2.740 41.107 1.00 13.65 ? 125 VAL E HG12 1 ATOM 15748 H HG13 . VAL E 1 125 ? 59.464 -1.593 40.234 1.00 13.65 ? 125 VAL E HG13 1 ATOM 15749 H HG21 . VAL E 1 125 ? 58.437 -3.255 38.059 1.00 18.75 ? 125 VAL E HG21 1 ATOM 15750 H HG22 . VAL E 1 125 ? 59.232 -1.935 37.747 1.00 18.75 ? 125 VAL E HG22 1 ATOM 15751 H HG23 . VAL E 1 125 ? 59.709 -3.302 37.136 1.00 18.75 ? 125 VAL E HG23 1 ATOM 15752 N N . GLU E 1 126 ? 62.672 -1.541 40.817 1.00 10.30 ? 126 GLU E N 1 ATOM 15753 C CA . GLU E 1 126 ? 63.560 -1.526 41.970 1.00 11.11 ? 126 GLU E CA 1 ATOM 15754 C C . GLU E 1 126 ? 62.978 -2.296 43.140 1.00 10.28 ? 126 GLU E C 1 ATOM 15755 O O . GLU E 1 126 ? 61.758 -2.392 43.306 1.00 12.10 ? 126 GLU E O 1 ATOM 15756 C CB . GLU E 1 126 ? 63.850 -0.084 42.360 1.00 12.74 ? 126 GLU E CB 1 ATOM 15757 C CG . GLU E 1 126 ? 64.890 0.052 43.450 1.00 14.37 ? 126 GLU E CG 1 ATOM 15758 C CD . GLU E 1 126 ? 66.204 -0.653 43.067 1.00 22.85 ? 126 GLU E CD 1 ATOM 15759 O OE1 . GLU E 1 126 ? 66.459 -1.779 43.563 1.00 28.16 ? 126 GLU E OE1 1 ATOM 15760 O OE2 . GLU E 1 126 ? 66.951 -0.084 42.242 1.00 24.36 ? 126 GLU E OE2 1 ATOM 15761 H H . GLU E 1 126 ? 62.328 -0.777 40.626 1.00 12.35 ? 126 GLU E H 1 ATOM 15762 H HA . GLU E 1 126 ? 64.409 -1.949 41.723 1.00 13.32 ? 126 GLU E HA 1 ATOM 15763 H HB2 . GLU E 1 126 ? 64.173 0.392 41.579 1.00 15.28 ? 126 GLU E HB2 1 ATOM 15764 H HB3 . GLU E 1 126 ? 63.030 0.324 42.679 1.00 15.28 ? 126 GLU E HB3 1 ATOM 15765 H HG2 . GLU E 1 126 ? 65.081 0.992 43.595 1.00 17.24 ? 126 GLU E HG2 1 ATOM 15766 H HG3 . GLU E 1 126 ? 64.555 -0.353 44.265 1.00 17.24 ? 126 GLU E HG3 1 ATOM 15767 N N . ALA E 1 127 ? 63.864 -2.863 43.953 1.00 13.16 ? 127 ALA E N 1 ATOM 15768 C CA . ALA E 1 127 ? 63.453 -3.651 45.087 1.00 14.17 ? 127 ALA E CA 1 ATOM 15769 C C . ALA E 1 127 ? 63.378 -2.808 46.354 1.00 11.98 ? 127 ALA E C 1 ATOM 15770 O O . ALA E 1 127 ? 63.457 -1.574 46.308 1.00 14.68 ? 127 ALA E O 1 ATOM 15771 C CB . ALA E 1 127 ? 64.404 -4.856 45.273 1.00 23.19 ? 127 ALA E CB 1 ATOM 15772 H H . ALA E 1 127 ? 64.717 -2.799 43.860 1.00 15.78 ? 127 ALA E H 1 ATOM 15773 H HA . ALA E 1 127 ? 62.556 -4.005 44.913 1.00 16.99 ? 127 ALA E HA 1 ATOM 15774 H HB1 . ALA E 1 127 ? 64.114 -5.368 46.032 1.00 27.82 ? 127 ALA E HB1 1 ATOM 15775 H HB2 . ALA E 1 127 ? 64.379 -5.399 44.482 1.00 27.82 ? 127 ALA E HB2 1 ATOM 15776 H HB3 . ALA E 1 127 ? 65.296 -4.530 45.419 1.00 27.82 ? 127 ALA E HB3 1 ATOM 15777 N N . GLN E 1 128 ? 63.221 -3.505 47.488 1.00 14.11 ? 128 GLN E N 1 ATOM 15778 C CA . GLN E 1 128 ? 63.027 -2.861 48.795 1.00 12.83 ? 128 GLN E CA 1 ATOM 15779 C C . GLN E 1 128 ? 61.901 -1.848 48.772 1.00 11.20 ? 128 GLN E C 1 ATOM 15780 O O . GLN E 1 128 ? 62.049 -0.696 49.123 1.00 13.09 ? 128 GLN E O 1 ATOM 15781 C CB . GLN E 1 128 ? 64.319 -2.198 49.303 1.00 15.63 ? 128 GLN E CB 1 ATOM 15782 C CG . GLN E 1 128 ? 65.458 -3.207 49.578 1.00 19.28 ? 128 GLN E CG 1 ATOM 15783 C CD . GLN E 1 128 ? 66.809 -2.544 49.820 1.00 52.54 ? 128 GLN E CD 1 ATOM 15784 O OE1 . GLN E 1 128 ? 66.962 -1.329 49.662 1.00 62.36 ? 128 GLN E OE1 1 ATOM 15785 N NE2 . GLN E 1 128 ? 67.802 -3.350 50.192 1.00 65.92 ? 128 GLN E NE2 1 ATOM 15786 H H . GLN E 1 128 ? 63.223 -4.364 47.526 1.00 16.92 ? 128 GLN E H 1 ATOM 15787 H HA . GLN E 1 128 ? 62.781 -3.553 49.444 1.00 15.38 ? 128 GLN E HA 1 ATOM 15788 H HB2 . GLN E 1 128 ? 64.633 -1.569 48.635 1.00 18.74 ? 128 GLN E HB2 1 ATOM 15789 H HB3 . GLN E 1 128 ? 64.128 -1.732 50.132 1.00 18.74 ? 128 GLN E HB3 1 ATOM 15790 H HG2 . GLN E 1 128 ? 65.235 -3.726 50.366 1.00 23.13 ? 128 GLN E HG2 1 ATOM 15791 H HG3 . GLN E 1 128 ? 65.548 -3.795 48.811 1.00 23.13 ? 128 GLN E HG3 1 ATOM 15792 H HE21 . GLN E 1 128 ? 68.585 -3.027 50.342 1.00 79.09 ? 128 GLN E HE21 1 ATOM 15793 H HE22 . GLN E 1 128 ? 67.660 -4.193 50.283 1.00 79.09 ? 128 GLN E HE22 1 ATOM 15794 N N . PRO E 1 129 ? 60.719 -2.315 48.354 1.00 11.99 ? 129 PRO E N 1 ATOM 15795 C CA . PRO E 1 129 ? 59.612 -1.378 48.229 1.00 11.57 ? 129 PRO E CA 1 ATOM 15796 C C . PRO E 1 129 ? 58.862 -1.111 49.528 1.00 10.49 ? 129 PRO E C 1 ATOM 15797 O O . PRO E 1 129 ? 58.962 -1.885 50.494 1.00 14.15 ? 129 PRO E O 1 ATOM 15798 C CB . PRO E 1 129 ? 58.649 -2.146 47.300 1.00 10.81 ? 129 PRO E CB 1 ATOM 15799 C CG . PRO E 1 129 ? 58.817 -3.558 47.729 1.00 10.88 ? 129 PRO E CG 1 ATOM 15800 C CD . PRO E 1 129 ? 60.339 -3.651 47.899 1.00 10.62 ? 129 PRO E CD 1 ATOM 15801 H HA . PRO E 1 129 ? 59.894 -0.538 47.812 1.00 13.87 ? 129 PRO E HA 1 ATOM 15802 H HB2 . PRO E 1 129 ? 57.738 -1.845 47.442 1.00 12.96 ? 129 PRO E HB2 1 ATOM 15803 H HB3 . PRO E 1 129 ? 58.916 -2.029 46.375 1.00 12.96 ? 129 PRO E HB3 1 ATOM 15804 H HG2 . PRO E 1 129 ? 58.358 -3.711 48.570 1.00 13.05 ? 129 PRO E HG2 1 ATOM 15805 H HG3 . PRO E 1 129 ? 58.501 -4.160 47.038 1.00 13.05 ? 129 PRO E HG3 1 ATOM 15806 H HD2 . PRO E 1 129 ? 60.564 -4.313 48.571 1.00 12.74 ? 129 PRO E HD2 1 ATOM 15807 H HD3 . PRO E 1 129 ? 60.761 -3.850 47.049 1.00 12.74 ? 129 PRO E HD3 1 ATOM 15808 N N . LYS E 1 130 ? 58.086 -0.035 49.540 1.00 10.35 ? 130 LYS E N 1 ATOM 15809 C CA . LYS E 1 130 ? 56.963 0.092 50.454 1.00 9.36 ? 130 LYS E CA 1 ATOM 15810 C C . LYS E 1 130 ? 55.737 -0.081 49.572 1.00 6.63 ? 130 LYS E C 1 ATOM 15811 O O . LYS E 1 130 ? 55.627 0.563 48.522 1.00 7.72 ? 130 LYS E O 1 ATOM 15812 C CB . LYS E 1 130 ? 56.955 1.427 51.177 1.00 10.41 ? 130 LYS E CB 1 ATOM 15813 C CG . LYS E 1 130 ? 58.073 1.471 52.238 1.00 14.65 ? 130 LYS E CG 1 ATOM 15814 C CD . LYS E 1 130 ? 58.008 2.604 53.199 1.00 26.98 ? 130 LYS E CD 1 ATOM 15815 C CE . LYS E 1 130 ? 59.081 2.397 54.299 1.00 27.48 ? 130 LYS E CE 1 ATOM 15816 N NZ . LYS E 1 130 ? 58.905 1.111 55.044 1.00 33.92 ? 130 LYS E NZ 1 ATOM 15817 H H . LYS E 1 130 ? 58.192 0.643 49.022 1.00 12.41 ? 130 LYS E H 1 ATOM 15818 H HA . LYS E 1 130 ? 56.985 -0.630 51.117 1.00 11.22 ? 130 LYS E HA 1 ATOM 15819 H HB2 . LYS E 1 130 ? 57.109 2.141 50.539 1.00 12.49 ? 130 LYS E HB2 1 ATOM 15820 H HB3 . LYS E 1 130 ? 56.103 1.549 51.623 1.00 12.49 ? 130 LYS E HB3 1 ATOM 15821 H HG2 . LYS E 1 130 ? 58.038 0.651 52.754 1.00 17.57 ? 130 LYS E HG2 1 ATOM 15822 H HG3 . LYS E 1 130 ? 58.927 1.528 51.781 1.00 17.57 ? 130 LYS E HG3 1 ATOM 15823 H HD2 . LYS E 1 130 ? 58.191 3.437 52.737 1.00 32.36 ? 130 LYS E HD2 1 ATOM 15824 H HD3 . LYS E 1 130 ? 57.133 2.628 53.617 1.00 32.36 ? 130 LYS E HD3 1 ATOM 15825 H HE2 . LYS E 1 130 ? 59.959 2.387 53.887 1.00 32.97 ? 130 LYS E HE2 1 ATOM 15826 H HE3 . LYS E 1 130 ? 59.022 3.125 54.938 1.00 32.97 ? 130 LYS E HE3 1 ATOM 15827 H HZ1 . LYS E 1 130 ? 58.966 0.369 54.438 1.00 40.69 ? 130 LYS E HZ1 1 ATOM 15828 H HZ2 . LYS E 1 130 ? 59.587 1.024 55.714 1.00 40.69 ? 130 LYS E HZ2 1 ATOM 15829 H HZ3 . LYS E 1 130 ? 58.045 1.094 55.471 1.00 40.69 ? 130 LYS E HZ3 1 ATOM 15830 N N . ILE E 1 131 ? 54.854 -0.981 49.981 1.00 6.82 ? 131 ILE E N 1 ATOM 15831 C CA . ILE E 1 131 ? 53.644 -1.310 49.217 1.00 7.02 ? 131 ILE E CA 1 ATOM 15832 C C . ILE E 1 131 ? 52.422 -0.958 50.048 1.00 7.73 ? 131 ILE E C 1 ATOM 15833 O O . ILE E 1 131 ? 52.301 -1.405 51.200 1.00 7.86 ? 131 ILE E O 1 ATOM 15834 C CB . ILE E 1 131 ? 53.634 -2.821 48.898 1.00 6.82 ? 131 ILE E CB 1 ATOM 15835 C CG1 . ILE E 1 131 ? 54.886 -3.198 48.117 1.00 9.76 ? 131 ILE E CG1 1 ATOM 15836 C CG2 . ILE E 1 131 ? 52.383 -3.151 48.096 1.00 9.41 ? 131 ILE E CG2 1 ATOM 15837 C CD1 . ILE E 1 131 ? 55.011 -4.714 47.823 1.00 10.03 ? 131 ILE E CD1 1 ATOM 15838 H H . ILE E 1 131 ? 54.930 -1.427 50.713 1.00 8.17 ? 131 ILE E H 1 ATOM 15839 H HA . ILE E 1 131 ? 53.623 -0.803 48.379 1.00 8.41 ? 131 ILE E HA 1 ATOM 15840 H HB . ILE E 1 131 ? 53.618 -3.320 49.730 1.00 8.17 ? 131 ILE E HB 1 ATOM 15841 H HG12 . ILE E 1 131 ? 54.875 -2.732 47.266 1.00 11.70 ? 131 ILE E HG12 1 ATOM 15842 H HG13 . ILE E 1 131 ? 55.665 -2.930 48.628 1.00 11.70 ? 131 ILE E HG13 1 ATOM 15843 H HG21 . ILE E 1 131 ? 52.378 -4.091 47.899 1.00 11.28 ? 131 ILE E HG21 1 ATOM 15844 H HG22 . ILE E 1 131 ? 51.609 -2.921 48.616 1.00 11.28 ? 131 ILE E HG22 1 ATOM 15845 H HG23 . ILE E 1 131 ? 52.393 -2.645 47.281 1.00 11.28 ? 131 ILE E HG23 1 ATOM 15846 H HD11 . ILE E 1 131 ? 55.820 -4.870 47.330 1.00 12.03 ? 131 ILE E HD11 1 ATOM 15847 H HD12 . ILE E 1 131 ? 55.036 -5.192 48.655 1.00 12.03 ? 131 ILE E HD12 1 ATOM 15848 H HD13 . ILE E 1 131 ? 54.253 -4.995 47.306 1.00 12.03 ? 131 ILE E HD13 1 ATOM 15849 N N . VAL E 1 132 ? 51.536 -0.152 49.455 1.00 6.09 ? 132 VAL E N 1 ATOM 15850 C CA . VAL E 1 132 ? 50.381 0.356 50.177 1.00 6.64 ? 132 VAL E CA 1 ATOM 15851 C C . VAL E 1 132 ? 49.092 0.091 49.435 1.00 6.61 ? 132 VAL E C 1 ATOM 15852 O O . VAL E 1 132 ? 49.014 0.305 48.210 1.00 7.32 ? 132 VAL E O 1 ATOM 15853 C CB . VAL E 1 132 ? 50.532 1.868 50.419 1.00 7.62 ? 132 VAL E CB 1 ATOM 15854 C CG1 . VAL E 1 132 ? 49.300 2.488 51.033 1.00 9.89 ? 132 VAL E CG1 1 ATOM 15855 C CG2 . VAL E 1 132 ? 51.738 2.087 51.291 1.00 8.80 ? 132 VAL E CG2 1 ATOM 15856 H H . VAL E 1 132 ? 51.587 0.111 48.638 1.00 7.29 ? 132 VAL E H 1 ATOM 15857 H HA . VAL E 1 132 ? 50.327 -0.088 51.049 1.00 7.96 ? 132 VAL E HA 1 ATOM 15858 H HB . VAL E 1 132 ? 50.696 2.312 49.561 1.00 9.14 ? 132 VAL E HB 1 ATOM 15859 H HG11 . VAL E 1 132 ? 49.453 3.427 51.160 1.00 11.85 ? 132 VAL E HG11 1 ATOM 15860 H HG12 . VAL E 1 132 ? 48.556 2.354 50.441 1.00 11.85 ? 132 VAL E HG12 1 ATOM 15861 H HG13 . VAL E 1 132 ? 49.126 2.067 51.878 1.00 11.85 ? 132 VAL E HG13 1 ATOM 15862 H HG21 . VAL E 1 132 ? 51.842 3.028 51.449 1.00 10.55 ? 132 VAL E HG21 1 ATOM 15863 H HG22 . VAL E 1 132 ? 51.608 1.627 52.124 1.00 10.55 ? 132 VAL E HG22 1 ATOM 15864 H HG23 . VAL E 1 132 ? 52.513 1.741 50.843 1.00 10.55 ? 132 VAL E HG23 1 ATOM 15865 N N . LEU E 1 133 ? 48.099 -0.405 50.174 1.00 6.47 ? 133 LEU E N 1 ATOM 15866 C CA . LEU E 1 133 ? 46.711 -0.391 49.732 1.00 5.87 ? 133 LEU E CA 1 ATOM 15867 C C . LEU E 1 133 ? 45.960 0.728 50.438 1.00 6.32 ? 133 LEU E C 1 ATOM 15868 O O . LEU E 1 133 ? 46.176 0.972 51.631 1.00 6.84 ? 133 LEU E O 1 ATOM 15869 C CB . LEU E 1 133 ? 46.001 -1.695 50.086 1.00 6.90 ? 133 LEU E CB 1 ATOM 15870 C CG . LEU E 1 133 ? 46.614 -2.945 49.509 1.00 6.67 ? 133 LEU E CG 1 ATOM 15871 C CD1 . LEU E 1 133 ? 45.813 -4.175 49.966 1.00 8.27 ? 133 LEU E CD1 1 ATOM 15872 C CD2 . LEU E 1 133 ? 46.728 -2.948 48.011 1.00 8.64 ? 133 LEU E CD2 1 ATOM 15873 H H . LEU E 1 133 ? 48.209 -0.762 50.949 1.00 7.75 ? 133 LEU E H 1 ATOM 15874 H HA . LEU E 1 133 ? 46.665 -0.250 48.764 1.00 7.03 ? 133 LEU E HA 1 ATOM 15875 H HB2 . LEU E 1 133 ? 45.998 -1.791 51.051 1.00 8.27 ? 133 LEU E HB2 1 ATOM 15876 H HB3 . LEU E 1 133 ? 45.087 -1.643 49.763 1.00 8.27 ? 133 LEU E HB3 1 ATOM 15877 H HG . LEU E 1 133 ? 47.511 -3.036 49.866 1.00 7.99 ? 133 LEU E HG 1 ATOM 15878 H HD11 . LEU E 1 133 ? 46.212 -4.964 49.593 1.00 9.91 ? 133 LEU E HD11 1 ATOM 15879 H HD12 . LEU E 1 133 ? 45.831 -4.220 50.925 1.00 9.91 ? 133 LEU E HD12 1 ATOM 15880 H HD13 . LEU E 1 133 ? 44.907 -4.089 49.659 1.00 9.91 ? 133 LEU E HD13 1 ATOM 15881 H HD21 . LEU E 1 133 ? 47.126 -3.776 47.730 1.00 10.35 ? 133 LEU E HD21 1 ATOM 15882 H HD22 . LEU E 1 133 ? 45.851 -2.861 47.631 1.00 10.35 ? 133 LEU E HD22 1 ATOM 15883 H HD23 . LEU E 1 133 ? 47.279 -2.211 47.739 1.00 10.35 ? 133 LEU E HD23 1 ATOM 15884 N N . GLY E 1 134 ? 45.031 1.364 49.717 1.00 5.98 ? 134 GLY E N 1 ATOM 15885 C CA . GLY E 1 134 ? 44.143 2.357 50.320 1.00 5.13 ? 134 GLY E CA 1 ATOM 15886 C C . GLY E 1 134 ? 44.537 3.784 50.052 1.00 6.03 ? 134 GLY E C 1 ATOM 15887 O O . GLY E 1 134 ? 43.687 4.683 50.118 1.00 6.93 ? 134 GLY E O 1 ATOM 15888 H H . GLY E 1 134 ? 44.896 1.236 48.877 1.00 7.16 ? 134 GLY E H 1 ATOM 15889 H HA2 . GLY E 1 134 ? 43.244 2.224 49.983 1.00 6.15 ? 134 GLY E HA2 1 ATOM 15890 H HA3 . GLY E 1 134 ? 44.127 2.225 51.281 1.00 6.15 ? 134 GLY E HA3 1 ATOM 15891 N N . GLN E 1 135 ? 45.825 3.994 49.786 1.00 6.36 ? 135 GLN E N 1 ATOM 15892 C CA . GLN E 1 135 ? 46.339 5.313 49.436 1.00 6.49 ? 135 GLN E CA 1 ATOM 15893 C C . GLN E 1 135 ? 47.398 5.203 48.343 1.00 5.72 ? 135 GLN E C 1 ATOM 15894 O O . GLN E 1 135 ? 47.997 4.139 48.137 1.00 6.43 ? 135 GLN E O 1 ATOM 15895 C CB . GLN E 1 135 ? 46.971 5.970 50.685 1.00 6.88 ? 135 GLN E CB 1 ATOM 15896 C CG . GLN E 1 135 ? 46.050 6.110 51.901 1.00 6.79 ? 135 GLN E CG 1 ATOM 15897 C CD . GLN E 1 135 ? 44.941 7.138 51.735 1.00 7.64 ? 135 GLN E CD 1 ATOM 15898 O OE1 . GLN E 1 135 ? 44.987 8.010 50.852 1.00 8.02 ? 135 GLN E OE1 1 ATOM 15899 N NE2 . GLN E 1 135 ? 43.910 7.020 52.550 1.00 8.51 ? 135 GLN E NE2 1 ATOM 15900 H H . GLN E 1 135 ? 46.426 3.380 49.801 1.00 7.62 ? 135 GLN E H 1 ATOM 15901 H HA . GLN E 1 135 ? 45.609 5.882 49.114 1.00 7.77 ? 135 GLN E HA 1 ATOM 15902 H HB2 . GLN E 1 135 ? 47.734 5.436 50.959 1.00 8.25 ? 135 GLN E HB2 1 ATOM 15903 H HB3 . GLN E 1 135 ? 47.271 6.860 50.444 1.00 8.25 ? 135 GLN E HB3 1 ATOM 15904 H HG2 . GLN E 1 135 ? 45.632 5.251 52.074 1.00 8.14 ? 135 GLN E HG2 1 ATOM 15905 H HG3 . GLN E 1 135 ? 46.584 6.373 52.666 1.00 8.14 ? 135 GLN E HG3 1 ATOM 15906 H HE21 . GLN E 1 135 ? 43.256 7.575 52.498 1.00 10.20 ? 135 GLN E HE21 1 ATOM 15907 H HE22 . GLN E 1 135 ? 43.893 6.387 53.132 1.00 10.20 ? 135 GLN E HE22 1 ATOM 15908 N N . GLU E 1 136 ? 47.663 6.323 47.685 1.00 6.06 ? 136 GLU E N 1 ATOM 15909 C CA . GLU E 1 136 ? 48.690 6.463 46.671 1.00 5.50 ? 136 GLU E CA 1 ATOM 15910 C C . GLU E 1 136 ? 49.876 7.172 47.339 1.00 6.69 ? 136 GLU E C 1 ATOM 15911 O O . GLU E 1 136 ? 49.712 8.263 47.898 1.00 8.34 ? 136 GLU E O 1 ATOM 15912 C CB . GLU E 1 136 ? 48.142 7.310 45.535 1.00 6.62 ? 136 GLU E CB 1 ATOM 15913 C CG . GLU E 1 136 ? 48.815 7.110 44.157 1.00 6.56 ? 136 GLU E CG 1 ATOM 15914 C CD . GLU E 1 136 ? 50.168 7.755 44.040 1.00 8.29 ? 136 GLU E CD 1 ATOM 15915 O OE1 . GLU E 1 136 ? 50.264 8.957 44.386 1.00 7.94 ? 136 GLU E OE1 1 ATOM 15916 O OE2 . GLU E 1 136 ? 51.116 7.112 43.580 1.00 8.13 ? 136 GLU E OE2 1 ATOM 15917 H H . GLU E 1 136 ? 47.232 7.055 47.820 1.00 7.26 ? 136 GLU E H 1 ATOM 15918 H HA . GLU E 1 136 ? 48.970 5.588 46.332 1.00 6.59 ? 136 GLU E HA 1 ATOM 15919 H HB2 . GLU E 1 136 ? 47.200 7.105 45.429 1.00 7.93 ? 136 GLU E HB2 1 ATOM 15920 H HB3 . GLU E 1 136 ? 48.244 8.244 45.774 1.00 7.93 ? 136 GLU E HB3 1 ATOM 15921 H HG2 . GLU E 1 136 ? 48.926 6.160 43.998 1.00 7.85 ? 136 GLU E HG2 1 ATOM 15922 H HG3 . GLU E 1 136 ? 48.244 7.493 43.473 1.00 7.85 ? 136 GLU E HG3 1 ATOM 15923 N N . GLN E 1 137 ? 51.026 6.525 47.333 1.00 6.97 ? 137 GLN E N 1 ATOM 15924 C CA . GLN E 1 137 ? 52.243 7.138 47.904 1.00 6.32 ? 137 GLN E CA 1 ATOM 15925 C C . GLN E 1 137 ? 52.835 8.183 46.958 1.00 8.54 ? 137 GLN E C 1 ATOM 15926 O O . GLN E 1 137 ? 52.950 7.940 45.772 1.00 7.65 ? 137 GLN E O 1 ATOM 15927 C CB . GLN E 1 137 ? 53.333 6.097 48.144 1.00 7.28 ? 137 GLN E CB 1 ATOM 15928 C CG . GLN E 1 137 ? 52.995 5.043 49.162 1.00 8.93 ? 137 GLN E CG 1 ATOM 15929 C CD . GLN E 1 137 ? 54.016 3.961 49.145 1.00 8.17 ? 137 GLN E CD 1 ATOM 15930 O OE1 . GLN E 1 137 ? 55.057 4.043 49.802 1.00 11.27 ? 137 GLN E OE1 1 ATOM 15931 N NE2 . GLN E 1 137 ? 53.754 2.904 48.380 1.00 6.94 ? 137 GLN E NE2 1 ATOM 15932 H H . GLN E 1 137 ? 51.143 5.737 47.010 1.00 8.35 ? 137 GLN E H 1 ATOM 15933 H HA . GLN E 1 137 ? 52.027 7.571 48.756 1.00 7.58 ? 137 GLN E HA 1 ATOM 15934 H HB2 . GLN E 1 137 ? 53.518 5.646 47.306 1.00 8.72 ? 137 GLN E HB2 1 ATOM 15935 H HB3 . GLN E 1 137 ? 54.132 6.553 48.451 1.00 8.72 ? 137 GLN E HB3 1 ATOM 15936 H HG2 . GLN E 1 137 ? 52.981 5.439 50.047 1.00 10.71 ? 137 GLN E HG2 1 ATOM 15937 H HG3 . GLN E 1 137 ? 52.131 4.654 48.950 1.00 10.71 ? 137 GLN E HG3 1 ATOM 15938 H HE21 . GLN E 1 137 ? 54.315 2.254 48.338 1.00 8.31 ? 137 GLN E HE21 1 ATOM 15939 H HE22 . GLN E 1 137 ? 53.023 2.872 47.927 1.00 8.31 ? 137 GLN E HE22 1 ATOM 15940 N N . ASP E 1 138 ? 53.324 9.298 47.524 1.00 8.13 ? 138 ASP E N 1 ATOM 15941 C CA . ASP E 1 138 ? 54.237 10.190 46.805 1.00 8.55 ? 138 ASP E CA 1 ATOM 15942 C C . ASP E 1 138 ? 55.630 10.205 47.452 1.00 11.33 ? 138 ASP E C 1 ATOM 15943 O O . ASP E 1 138 ? 56.539 10.821 46.902 1.00 13.17 ? 138 ASP E O 1 ATOM 15944 C CB . ASP E 1 138 ? 53.696 11.610 46.696 1.00 8.50 ? 138 ASP E CB 1 ATOM 15945 C CG . ASP E 1 138 ? 52.525 11.713 45.749 1.00 8.66 ? 138 ASP E CG 1 ATOM 15946 O OD1 . ASP E 1 138 ? 52.405 10.848 44.827 1.00 8.64 ? 138 ASP E OD1 1 ATOM 15947 O OD2 . ASP E 1 138 ? 51.713 12.655 45.837 1.00 10.35 ? 138 ASP E OD2 1 ATOM 15948 H H . ASP E 1 138 ? 53.140 9.557 48.323 1.00 9.75 ? 138 ASP E H 1 ATOM 15949 H HA . ASP E 1 138 ? 54.344 9.849 45.892 1.00 10.24 ? 138 ASP E HA 1 ATOM 15950 H HB2 . ASP E 1 138 ? 53.401 11.904 47.572 1.00 10.18 ? 138 ASP E HB2 1 ATOM 15951 H HB3 . ASP E 1 138 ? 54.399 12.193 46.369 1.00 10.18 ? 138 ASP E HB3 1 ATOM 15952 N N . SER E 1 139 ? 55.817 9.565 48.599 1.00 10.20 ? 139 SER E N 1 ATOM 15953 C CA . SER E 1 139 ? 57.137 9.416 49.196 1.00 9.39 ? 139 SER E CA 1 ATOM 15954 C C . SER E 1 139 ? 57.369 7.936 49.462 1.00 12.26 ? 139 SER E C 1 ATOM 15955 O O . SER E 1 139 ? 56.534 7.078 49.109 1.00 12.67 ? 139 SER E O 1 ATOM 15956 C CB . SER E 1 139 ? 57.193 10.202 50.500 1.00 12.39 ? 139 SER E CB 1 ATOM 15957 O OG . SER E 1 139 ? 56.409 9.563 51.501 1.00 13.43 ? 139 SER E OG 1 ATOM 15958 H H . SER E 1 139 ? 55.186 9.203 49.058 1.00 12.23 ? 139 SER E H 1 ATOM 15959 H HA . SER E 1 139 ? 57.827 9.749 48.585 1.00 11.25 ? 139 SER E HA 1 ATOM 15960 H HB2 . SER E 1 139 ? 58.114 10.250 50.801 1.00 14.86 ? 139 SER E HB2 1 ATOM 15961 H HB3 . SER E 1 139 ? 56.846 11.095 50.347 1.00 14.86 ? 139 SER E HB3 1 ATOM 15962 H HG . SER E 1 139 ? 56.443 9.991 52.199 1.00 16.11 ? 139 SER E HG 1 ATOM 15963 N N . TYR E 1 140 ? 58.464 7.578 50.122 1.00 10.89 ? 140 TYR E N 1 ATOM 15964 C CA . TYR E 1 140 ? 58.733 6.220 50.460 1.00 10.58 ? 140 TYR E CA 1 ATOM 15965 C C . TYR E 1 140 ? 57.941 5.892 51.709 1.00 14.01 ? 140 TYR E C 1 ATOM 15966 O O . TYR E 1 140 ? 58.375 6.139 52.862 1.00 14.09 ? 140 TYR E O 1 ATOM 15967 C CB . TYR E 1 140 ? 60.238 6.018 50.671 1.00 12.02 ? 140 TYR E CB 1 ATOM 15968 C CG . TYR E 1 140 ? 60.661 4.600 50.900 1.00 11.88 ? 140 TYR E CG 1 ATOM 15969 C CD1 . TYR E 1 140 ? 60.413 3.598 49.952 1.00 11.34 ? 140 TYR E CD1 1 ATOM 15970 C CD2 . TYR E 1 140 ? 61.387 4.234 52.037 1.00 13.84 ? 140 TYR E CD2 1 ATOM 15971 C CE1 . TYR E 1 140 ? 60.816 2.280 50.147 1.00 13.05 ? 140 TYR E CE1 1 ATOM 15972 C CE2 . TYR E 1 140 ? 61.822 2.919 52.227 1.00 15.44 ? 140 TYR E CE2 1 ATOM 15973 C CZ . TYR E 1 140 ? 61.549 1.940 51.282 1.00 14.91 ? 140 TYR E CZ 1 ATOM 15974 O OH . TYR E 1 140 ? 61.976 0.650 51.488 1.00 14.80 ? 140 TYR E OH 1 ATOM 15975 H H . TYR E 1 140 ? 59.071 8.128 50.384 1.00 13.05 ? 140 TYR E H 1 ATOM 15976 H HA . TYR E 1 140 ? 58.435 5.633 49.734 1.00 12.68 ? 140 TYR E HA 1 ATOM 15977 H HB2 . TYR E 1 140 ? 60.706 6.339 49.884 1.00 14.41 ? 140 TYR E HB2 1 ATOM 15978 H HB3 . TYR E 1 140 ? 60.513 6.534 51.445 1.00 14.41 ? 140 TYR E HB3 1 ATOM 15979 H HD1 . TYR E 1 140 ? 59.933 3.813 49.185 1.00 13.60 ? 140 TYR E HD1 1 ATOM 15980 H HD2 . TYR E 1 140 ? 61.592 4.879 52.674 1.00 16.60 ? 140 TYR E HD2 1 ATOM 15981 H HE1 . TYR E 1 140 ? 60.633 1.636 49.501 1.00 15.65 ? 140 TYR E HE1 1 ATOM 15982 H HE2 . TYR E 1 140 ? 62.297 2.698 52.995 1.00 18.52 ? 140 TYR E HE2 1 ATOM 15983 H HH . TYR E 1 140 ? 62.465 0.415 50.873 1.00 17.74 ? 140 TYR E HH 1 ATOM 15984 N N . GLY E 1 141 ? 56.718 5.412 51.483 1.00 10.50 ? 141 GLY E N 1 ATOM 15985 C CA . GLY E 1 141 ? 55.838 5.023 52.566 1.00 11.05 ? 141 GLY E CA 1 ATOM 15986 C C . GLY E 1 141 ? 54.774 6.027 52.976 1.00 13.07 ? 141 GLY E C 1 ATOM 15987 O O . GLY E 1 141 ? 54.016 5.769 53.912 1.00 16.81 ? 141 GLY E O 1 ATOM 15988 H H . GLY E 1 141 ? 56.377 5.304 50.701 1.00 12.59 ? 141 GLY E H 1 ATOM 15989 H HA2 . GLY E 1 141 ? 55.384 4.203 52.315 1.00 13.25 ? 141 GLY E HA2 1 ATOM 15990 H HA3 . GLY E 1 141 ? 56.378 4.833 53.349 1.00 13.25 ? 141 GLY E HA3 1 ATOM 15991 N N . GLY E 1 142 ? 54.681 7.164 52.318 1.00 10.26 ? 142 GLY E N 1 ATOM 15992 C CA . GLY E 1 142 ? 53.755 8.209 52.709 1.00 12.01 ? 142 GLY E CA 1 ATOM 15993 C C . GLY E 1 142 ? 53.448 9.266 51.661 1.00 10.48 ? 142 GLY E C 1 ATOM 15994 O O . GLY E 1 142 ? 53.434 8.975 50.450 1.00 10.53 ? 142 GLY E O 1 ATOM 15995 H H . GLY E 1 142 ? 55.153 7.360 51.626 1.00 12.30 ? 142 GLY E H 1 ATOM 15996 H HA2 . GLY E 1 142 ? 52.915 7.798 52.966 1.00 14.40 ? 142 GLY E HA2 1 ATOM 15997 H HA3 . GLY E 1 142 ? 54.112 8.663 53.488 1.00 14.40 ? 142 GLY E HA3 1 ATOM 15998 N N . LYS E 1 143 ? 53.175 10.479 52.131 1.00 11.13 ? 143 LYS E N 1 ATOM 15999 C CA . LYS E 1 143 ? 52.735 11.586 51.317 1.00 10.21 ? 143 LYS E CA 1 ATOM 16000 C C . LYS E 1 143 ? 51.514 11.210 50.467 1.00 10.49 ? 143 LYS E C 1 ATOM 16001 O O . LYS E 1 143 ? 51.532 11.245 49.244 1.00 10.55 ? 143 LYS E O 1 ATOM 16002 C CB . LYS E 1 143 ? 53.881 12.164 50.477 1.00 11.58 ? 143 LYS E CB 1 ATOM 16003 C CG . LYS E 1 143 ? 54.836 13.031 51.300 1.00 23.44 ? 143 LYS E CG 1 ATOM 16004 C CD . LYS E 1 143 ? 55.816 13.807 50.411 1.00 35.31 ? 143 LYS E CD 1 ATOM 16005 C CE . LYS E 1 143 ? 55.169 14.372 49.128 1.00 38.41 ? 143 LYS E CE 1 ATOM 16006 N NZ . LYS E 1 143 ? 54.323 15.590 49.326 1.00 52.68 ? 143 LYS E NZ 1 ATOM 16007 H H . LYS E 1 143 ? 53.245 10.685 52.963 1.00 13.35 ? 143 LYS E H 1 ATOM 16008 H HA . LYS E 1 143 ? 52.445 12.301 51.922 1.00 12.24 ? 143 LYS E HA 1 ATOM 16009 H HB2 . LYS E 1 143 ? 54.392 11.433 50.095 1.00 13.89 ? 143 LYS E HB2 1 ATOM 16010 H HB3 . LYS E 1 143 ? 53.509 12.714 49.770 1.00 13.89 ? 143 LYS E HB3 1 ATOM 16011 H HG2 . LYS E 1 143 ? 54.321 13.673 51.814 1.00 28.12 ? 143 LYS E HG2 1 ATOM 16012 H HG3 . LYS E 1 143 ? 55.351 12.463 51.894 1.00 28.12 ? 143 LYS E HG3 1 ATOM 16013 H HD2 . LYS E 1 143 ? 56.174 14.554 50.917 1.00 42.36 ? 143 LYS E HD2 1 ATOM 16014 H HD3 . LYS E 1 143 ? 56.535 13.214 50.145 1.00 42.36 ? 143 LYS E HD3 1 ATOM 16015 H HE2 . LYS E 1 143 ? 55.874 14.605 48.504 1.00 46.08 ? 143 LYS E HE2 1 ATOM 16016 H HE3 . LYS E 1 143 ? 54.605 13.685 48.739 1.00 46.08 ? 143 LYS E HE3 1 ATOM 16017 H HZ1 . LYS E 1 143 ? 54.852 16.300 49.695 1.00 63.21 ? 143 LYS E HZ1 1 ATOM 16018 H HZ2 . LYS E 1 143 ? 53.959 15.877 48.485 1.00 63.21 ? 143 LYS E HZ2 1 ATOM 16019 H HZ3 . LYS E 1 143 ? 53.601 15.393 49.927 1.00 63.21 ? 143 LYS E HZ3 1 ATOM 16020 N N . PHE E 1 144 ? 50.471 10.864 51.210 1.00 9.56 ? 144 PHE E N 1 ATOM 16021 C CA . PHE E 1 144 ? 49.211 10.430 50.638 1.00 7.87 ? 144 PHE E CA 1 ATOM 16022 C C . PHE E 1 144 ? 48.368 11.614 50.179 1.00 10.02 ? 144 PHE E C 1 ATOM 16023 O O . PHE E 1 144 ? 48.662 12.776 50.463 1.00 11.22 ? 144 PHE E O 1 ATOM 16024 C CB . PHE E 1 144 ? 48.472 9.577 51.673 1.00 8.17 ? 144 PHE E CB 1 ATOM 16025 C CG . PHE E 1 144 ? 49.250 8.402 52.200 1.00 8.07 ? 144 PHE E CG 1 ATOM 16026 C CD1 . PHE E 1 144 ? 49.923 7.539 51.339 1.00 9.23 ? 144 PHE E CD1 1 ATOM 16027 C CD2 . PHE E 1 144 ? 49.213 8.087 53.564 1.00 9.96 ? 144 PHE E CD2 1 ATOM 16028 C CE1 . PHE E 1 144 ? 50.588 6.416 51.845 1.00 9.71 ? 144 PHE E CE1 1 ATOM 16029 C CE2 . PHE E 1 144 ? 49.885 6.976 54.058 1.00 11.19 ? 144 PHE E CE2 1 ATOM 16030 C CZ . PHE E 1 144 ? 50.563 6.140 53.190 1.00 10.84 ? 144 PHE E CZ 1 ATOM 16031 H H . PHE E 1 144 ? 50.472 10.874 52.070 1.00 11.46 ? 144 PHE E H 1 ATOM 16032 H HA . PHE E 1 144 ? 49.392 9.867 49.857 1.00 9.43 ? 144 PHE E HA 1 ATOM 16033 H HB2 . PHE E 1 144 ? 48.243 10.140 52.429 1.00 9.79 ? 144 PHE E HB2 1 ATOM 16034 H HB3 . PHE E 1 144 ? 47.661 9.233 51.266 1.00 9.79 ? 144 PHE E HB3 1 ATOM 16035 H HD1 . PHE E 1 144 ? 49.938 7.714 50.425 1.00 11.06 ? 144 PHE E HD1 1 ATOM 16036 H HD2 . PHE E 1 144 ? 48.752 8.643 54.150 1.00 11.94 ? 144 PHE E HD2 1 ATOM 16037 H HE1 . PHE E 1 144 ? 51.056 5.857 51.268 1.00 11.64 ? 144 PHE E HE1 1 ATOM 16038 H HE2 . PHE E 1 144 ? 49.871 6.790 54.969 1.00 13.42 ? 144 PHE E HE2 1 ATOM 16039 H HZ . PHE E 1 144 ? 51.021 5.401 53.521 1.00 13.00 ? 144 PHE E HZ 1 ATOM 16040 N N . ASP E 1 145 ? 47.268 11.322 49.492 1.00 7.89 ? 145 ASP E N 1 ATOM 16041 C CA . ASP E 1 145 ? 46.390 12.326 48.898 1.00 7.17 ? 145 ASP E CA 1 ATOM 16042 C C . ASP E 1 145 ? 44.966 11.790 48.941 1.00 8.92 ? 145 ASP E C 1 ATOM 16043 O O . ASP E 1 145 ? 44.645 10.802 48.282 1.00 8.13 ? 145 ASP E O 1 ATOM 16044 C CB . ASP E 1 145 ? 46.819 12.588 47.455 1.00 7.53 ? 145 ASP E CB 1 ATOM 16045 C CG . ASP E 1 145 ? 45.898 13.499 46.686 1.00 11.71 ? 145 ASP E CG 1 ATOM 16046 O OD1 . ASP E 1 145 ? 44.801 13.877 47.164 1.00 9.94 ? 145 ASP E OD1 1 ATOM 16047 O OD2 . ASP E 1 145 ? 46.304 13.866 45.538 1.00 11.27 ? 145 ASP E OD2 1 ATOM 16048 H H . ASP E 1 145 ? 47.000 10.517 49.351 1.00 9.45 ? 145 ASP E H 1 ATOM 16049 H HA . ASP E 1 145 ? 46.437 13.162 49.407 1.00 8.60 ? 145 ASP E HA 1 ATOM 16050 H HB2 . ASP E 1 145 ? 47.699 12.997 47.461 1.00 9.02 ? 145 ASP E HB2 1 ATOM 16051 H HB3 . ASP E 1 145 ? 46.856 11.741 46.983 1.00 9.02 ? 145 ASP E HB3 1 ATOM 16052 N N . ARG E 1 146 ? 44.102 12.375 49.751 1.00 7.47 ? 146 ARG E N 1 ATOM 16053 C CA . ARG E 1 146 ? 42.794 11.732 49.914 1.00 6.57 ? 146 ARG E CA 1 ATOM 16054 C C . ARG E 1 146 ? 42.013 11.677 48.597 1.00 6.58 ? 146 ARG E C 1 ATOM 16055 O O . ARG E 1 146 ? 41.109 10.820 48.468 1.00 6.56 ? 146 ARG E O 1 ATOM 16056 C CB . ARG E 1 146 ? 41.922 12.383 51.016 1.00 9.88 ? 146 ARG E CB 1 ATOM 16057 C CG . ARG E 1 146 ? 41.550 13.812 50.743 1.00 9.34 ? 146 ARG E CG 1 ATOM 16058 C CD . ARG E 1 146 ? 40.735 14.338 51.938 1.00 9.89 ? 146 ARG E CD 1 ATOM 16059 N NE . ARG E 1 146 ? 39.397 13.773 51.980 1.00 8.10 ? 146 ARG E NE 1 ATOM 16060 C CZ . ARG E 1 146 ? 38.574 13.742 53.040 1.00 10.85 ? 146 ARG E CZ 1 ATOM 16061 N NH1 . ARG E 1 146 ? 37.360 13.249 52.940 1.00 11.76 ? 146 ARG E NH1 1 ATOM 16062 N NH2 . ARG E 1 146 ? 38.988 14.221 54.206 1.00 14.68 ? 146 ARG E NH2 1 ATOM 16063 H H . ARG E 1 146 ? 44.228 13.099 50.197 1.00 8.95 ? 146 ARG E H 1 ATOM 16064 H HA . ARG E 1 146 ? 42.950 10.804 50.189 1.00 7.87 ? 146 ARG E HA 1 ATOM 16065 H HB2 . ARG E 1 146 ? 41.100 11.875 51.103 1.00 11.84 ? 146 ARG E HB2 1 ATOM 16066 H HB3 . ARG E 1 146 ? 42.412 12.360 51.853 1.00 11.84 ? 146 ARG E HB3 1 ATOM 16067 H HG2 . ARG E 1 146 ? 42.351 14.350 50.649 1.00 11.20 ? 146 ARG E HG2 1 ATOM 16068 H HG3 . ARG E 1 146 ? 41.003 13.864 49.943 1.00 11.20 ? 146 ARG E HG3 1 ATOM 16069 H HD2 . ARG E 1 146 ? 41.189 14.100 52.762 1.00 11.85 ? 146 ARG E HD2 1 ATOM 16070 H HD3 . ARG E 1 146 ? 40.653 15.302 51.868 1.00 11.85 ? 146 ARG E HD3 1 ATOM 16071 H HE . ARG E 1 146 ? 39.064 13.378 51.159 1.00 9.71 ? 146 ARG E HE 1 ATOM 16072 H HH11 . ARG E 1 146 ? 37.088 12.926 52.190 1.00 14.10 ? 146 ARG E HH11 1 ATOM 16073 H HH12 . ARG E 1 146 ? 36.851 13.215 53.632 1.00 14.10 ? 146 ARG E HH12 1 ATOM 16074 H HH21 . ARG E 1 146 ? 39.775 14.559 54.277 1.00 17.60 ? 146 ARG E HH21 1 ATOM 16075 H HH22 . ARG E 1 146 ? 38.466 14.197 54.889 1.00 17.60 ? 146 ARG E HH22 1 ATOM 16076 N N . SER E 1 147 ? 42.291 12.560 47.642 1.00 6.94 ? 147 SER E N 1 ATOM 16077 C CA A SER E 1 147 ? 41.605 12.513 46.353 0.67 7.87 ? 147 SER E CA 1 ATOM 16078 C CA B SER E 1 147 ? 41.632 12.525 46.342 0.33 7.87 ? 147 SER E CA 1 ATOM 16079 C C . SER E 1 147 ? 42.009 11.322 45.486 1.00 7.10 ? 147 SER E C 1 ATOM 16080 O O . SER E 1 147 ? 41.419 11.122 44.431 1.00 7.86 ? 147 SER E O 1 ATOM 16081 C CB A SER E 1 147 ? 41.800 13.824 45.569 0.67 9.36 ? 147 SER E CB 1 ATOM 16082 C CB B SER E 1 147 ? 41.962 13.792 45.563 0.33 8.89 ? 147 SER E CB 1 ATOM 16083 O OG A SER E 1 147 ? 43.118 13.983 45.065 0.67 10.99 ? 147 SER E OG 1 ATOM 16084 O OG B SER E 1 147 ? 41.426 14.925 46.210 0.33 9.75 ? 147 SER E OG 1 ATOM 16085 H H A SER E 1 147 ? 42.869 13.193 47.714 0.67 8.32 ? 147 SER E H 1 ATOM 16086 H H B SER E 1 147 ? 42.864 13.196 47.725 0.33 8.32 ? 147 SER E H 1 ATOM 16087 H HA A SER E 1 147 ? 40.644 12.424 46.528 0.67 9.44 ? 147 SER E HA 1 ATOM 16088 H HA B SER E 1 147 ? 40.662 12.501 46.480 0.33 9.43 ? 147 SER E HA 1 ATOM 16089 H HB2 A SER E 1 147 ? 41.181 13.831 44.822 0.67 11.22 ? 147 SER E HB2 1 ATOM 16090 H HB2 B SER E 1 147 ? 42.926 13.887 45.507 0.33 10.66 ? 147 SER E HB2 1 ATOM 16091 H HB3 A SER E 1 147 ? 41.604 14.568 46.160 0.67 11.22 ? 147 SER E HB3 1 ATOM 16092 H HB3 B SER E 1 147 ? 41.582 13.726 44.673 0.33 10.66 ? 147 SER E HB3 1 ATOM 16093 H HG A SER E 1 147 ? 43.579 13.338 45.275 0.67 13.17 ? 147 SER E HG 1 ATOM 16094 H HG B SER E 1 147 ? 41.607 15.603 45.786 0.33 11.69 ? 147 SER E HG 1 ATOM 16095 N N . GLN E 1 148 ? 42.995 10.561 45.940 1.00 6.43 ? 148 GLN E N 1 ATOM 16096 C CA . GLN E 1 148 ? 43.432 9.330 45.259 1.00 5.96 ? 148 GLN E CA 1 ATOM 16097 C C . GLN E 1 148 ? 43.183 8.092 46.149 1.00 6.15 ? 148 GLN E C 1 ATOM 16098 O O . GLN E 1 148 ? 43.610 6.999 45.796 1.00 7.73 ? 148 GLN E O 1 ATOM 16099 C CB . GLN E 1 148 ? 44.919 9.397 44.943 1.00 6.16 ? 148 GLN E CB 1 ATOM 16100 C CG . GLN E 1 148 ? 45.287 10.590 44.068 1.00 8.14 ? 148 GLN E CG 1 ATOM 16101 C CD . GLN E 1 148 ? 46.754 10.617 43.736 1.00 7.44 ? 148 GLN E CD 1 ATOM 16102 O OE1 . GLN E 1 148 ? 47.599 10.775 44.615 1.00 7.88 ? 148 GLN E OE1 1 ATOM 16103 N NE2 . GLN E 1 148 ? 47.066 10.413 42.457 1.00 11.76 ? 148 GLN E NE2 1 ATOM 16104 H H . GLN E 1 148 ? 43.441 10.732 46.655 1.00 7.70 ? 148 GLN E H 1 ATOM 16105 H HA . GLN E 1 148 ? 42.936 9.222 44.420 1.00 7.14 ? 148 GLN E HA 1 ATOM 16106 H HB2 . GLN E 1 148 ? 45.415 9.470 45.774 1.00 7.38 ? 148 GLN E HB2 1 ATOM 16107 H HB3 . GLN E 1 148 ? 45.178 8.589 44.473 1.00 7.38 ? 148 GLN E HB3 1 ATOM 16108 H HG2 . GLN E 1 148 ? 44.790 10.539 43.237 1.00 9.76 ? 148 GLN E HG2 1 ATOM 16109 H HG3 . GLN E 1 148 ? 45.068 11.409 44.539 1.00 9.76 ? 148 GLN E HG3 1 ATOM 16110 H HE21 . GLN E 1 148 ? 47.889 10.418 42.209 1.00 14.10 ? 148 GLN E HE21 1 ATOM 16111 H HE22 . GLN E 1 148 ? 46.444 10.276 41.879 1.00 14.10 ? 148 GLN E HE22 1 ATOM 16112 N N . SER E 1 149 ? 42.579 8.255 47.326 1.00 5.55 ? 149 SER E N 1 ATOM 16113 C CA . SER E 1 149 ? 42.373 7.165 48.263 1.00 5.78 ? 149 SER E CA 1 ATOM 16114 C C . SER E 1 149 ? 41.367 6.180 47.684 1.00 5.16 ? 149 SER E C 1 ATOM 16115 O O . SER E 1 149 ? 40.448 6.540 46.954 1.00 7.50 ? 149 SER E O 1 ATOM 16116 C CB . SER E 1 149 ? 41.900 7.716 49.612 1.00 8.37 ? 149 SER E CB 1 ATOM 16117 O OG . SER E 1 149 ? 40.617 8.330 49.559 1.00 7.23 ? 149 SER E OG 1 ATOM 16118 H H . SER E 1 149 ? 42.274 9.008 47.606 1.00 6.64 ? 149 SER E H 1 ATOM 16119 H HA . SER E 1 149 ? 43.220 6.694 48.403 1.00 6.92 ? 149 SER E HA 1 ATOM 16120 H HB2 . SER E 1 149 ? 41.863 6.984 50.247 1.00 10.03 ? 149 SER E HB2 1 ATOM 16121 H HB3 . SER E 1 149 ? 42.543 8.376 49.917 1.00 10.03 ? 149 SER E HB3 1 ATOM 16122 H HG . SER E 1 149 ? 40.320 8.294 48.796 1.00 8.67 ? 149 SER E HG 1 ATOM 16123 N N . PHE E 1 150 ? 41.548 4.937 48.071 1.00 6.42 ? 150 PHE E N 1 ATOM 16124 C CA . PHE E 1 150 ? 40.621 3.866 47.686 1.00 5.79 ? 150 PHE E CA 1 ATOM 16125 C C . PHE E 1 150 ? 39.637 3.656 48.816 1.00 5.58 ? 150 PHE E C 1 ATOM 16126 O O . PHE E 1 150 ? 40.036 3.395 49.964 1.00 6.96 ? 150 PHE E O 1 ATOM 16127 C CB . PHE E 1 150 ? 41.403 2.572 47.395 1.00 6.36 ? 150 PHE E CB 1 ATOM 16128 C CG . PHE E 1 150 ? 40.491 1.408 47.117 1.00 6.66 ? 150 PHE E CG 1 ATOM 16129 C CD1 . PHE E 1 150 ? 39.935 1.254 45.854 1.00 7.27 ? 150 PHE E CD1 1 ATOM 16130 C CD2 . PHE E 1 150 ? 40.107 0.555 48.132 1.00 5.58 ? 150 PHE E CD2 1 ATOM 16131 C CE1 . PHE E 1 150 ? 39.052 0.192 45.595 1.00 6.93 ? 150 PHE E CE1 1 ATOM 16132 C CE2 . PHE E 1 150 ? 39.208 -0.484 47.884 1.00 6.85 ? 150 PHE E CE2 1 ATOM 16133 C CZ . PHE E 1 150 ? 38.693 -0.645 46.614 1.00 6.70 ? 150 PHE E CZ 1 ATOM 16134 H H . PHE E 1 150 ? 42.202 4.673 48.563 1.00 7.69 ? 150 PHE E H 1 ATOM 16135 H HA . PHE E 1 150 ? 40.128 4.126 46.880 1.00 6.94 ? 150 PHE E HA 1 ATOM 16136 H HB2 . PHE E 1 150 ? 41.965 2.709 46.616 1.00 7.62 ? 150 PHE E HB2 1 ATOM 16137 H HB3 . PHE E 1 150 ? 41.949 2.351 48.166 1.00 7.62 ? 150 PHE E HB3 1 ATOM 16138 H HD1 . PHE E 1 150 ? 40.180 1.831 45.166 1.00 8.72 ? 150 PHE E HD1 1 ATOM 16139 H HD2 . PHE E 1 150 ? 40.449 0.673 48.989 1.00 6.68 ? 150 PHE E HD2 1 ATOM 16140 H HE1 . PHE E 1 150 ? 38.695 0.076 44.745 1.00 8.30 ? 150 PHE E HE1 1 ATOM 16141 H HE2 . PHE E 1 150 ? 38.971 -1.072 48.564 1.00 8.21 ? 150 PHE E HE2 1 ATOM 16142 H HZ . PHE E 1 150 ? 38.111 -1.349 46.442 1.00 8.03 ? 150 PHE E HZ 1 ATOM 16143 N N . VAL E 1 151 ? 38.341 3.808 48.525 1.00 5.40 ? 151 VAL E N 1 ATOM 16144 C CA . VAL E 1 151 ? 37.258 3.594 49.483 1.00 5.54 ? 151 VAL E CA 1 ATOM 16145 C C . VAL E 1 151 ? 36.500 2.421 48.922 1.00 6.30 ? 151 VAL E C 1 ATOM 16146 O O . VAL E 1 151 ? 36.067 2.433 47.755 1.00 7.10 ? 151 VAL E O 1 ATOM 16147 C CB . VAL E 1 151 ? 36.361 4.816 49.597 1.00 6.12 ? 151 VAL E CB 1 ATOM 16148 C CG1 . VAL E 1 151 ? 35.231 4.532 50.607 1.00 6.29 ? 151 VAL E CG1 1 ATOM 16149 C CG2 . VAL E 1 151 ? 37.191 6.017 49.989 1.00 9.34 ? 151 VAL E CG2 1 ATOM 16150 H H . VAL E 1 151 ? 38.058 4.043 47.748 1.00 6.47 ? 151 VAL E H 1 ATOM 16151 H HA . VAL E 1 151 ? 37.617 3.364 50.365 1.00 6.63 ? 151 VAL E HA 1 ATOM 16152 H HB . VAL E 1 151 ? 35.953 4.999 48.725 1.00 7.33 ? 151 VAL E HB 1 ATOM 16153 H HG11 . VAL E 1 151 ? 34.670 5.308 50.674 1.00 7.54 ? 151 VAL E HG11 1 ATOM 16154 H HG12 . VAL E 1 151 ? 34.718 3.782 50.299 1.00 7.54 ? 151 VAL E HG12 1 ATOM 16155 H HG13 . VAL E 1 151 ? 35.620 4.335 51.463 1.00 7.54 ? 151 VAL E HG13 1 ATOM 16156 H HG21 . VAL E 1 151 ? 36.617 6.783 50.059 1.00 11.20 ? 151 VAL E HG21 1 ATOM 16157 H HG22 . VAL E 1 151 ? 37.610 5.843 50.835 1.00 11.20 ? 151 VAL E HG22 1 ATOM 16158 H HG23 . VAL E 1 151 ? 37.859 6.167 49.317 1.00 11.20 ? 151 VAL E HG23 1 ATOM 16159 N N . GLY E 1 152 ? 36.369 1.366 49.708 1.00 5.86 ? 152 GLY E N 1 ATOM 16160 C CA . GLY E 1 152 ? 35.748 0.157 49.226 1.00 6.87 ? 152 GLY E CA 1 ATOM 16161 C C . GLY E 1 152 ? 36.455 -1.063 49.773 1.00 5.54 ? 152 GLY E C 1 ATOM 16162 O O . GLY E 1 152 ? 37.062 -1.040 50.836 1.00 6.52 ? 152 GLY E O 1 ATOM 16163 H H . GLY E 1 152 ? 36.632 1.329 50.526 1.00 7.02 ? 152 GLY E H 1 ATOM 16164 H HA2 . GLY E 1 152 ? 34.819 0.131 49.503 1.00 8.23 ? 152 GLY E HA2 1 ATOM 16165 H HA3 . GLY E 1 152 ? 35.786 0.132 48.257 1.00 8.23 ? 152 GLY E HA3 1 ATOM 16166 N N . GLU E 1 153 ? 36.369 -2.154 49.021 1.00 4.65 ? 153 GLU E N 1 ATOM 16167 C CA . GLU E 1 153 ? 36.839 -3.462 49.527 1.00 4.95 ? 153 GLU E CA 1 ATOM 16168 C C . GLU E 1 153 ? 37.847 -4.079 48.564 1.00 5.59 ? 153 GLU E C 1 ATOM 16169 O O . GLU E 1 153 ? 37.663 -4.001 47.347 1.00 6.08 ? 153 GLU E O 1 ATOM 16170 C CB . GLU E 1 153 ? 35.650 -4.413 49.702 1.00 5.47 ? 153 GLU E CB 1 ATOM 16171 C CG . GLU E 1 153 ? 34.524 -3.776 50.519 1.00 5.74 ? 153 GLU E CG 1 ATOM 16172 C CD . GLU E 1 153 ? 33.343 -4.684 50.743 1.00 7.83 ? 153 GLU E CD 1 ATOM 16173 O OE1 . GLU E 1 153 ? 33.582 -5.896 50.916 1.00 8.40 ? 153 GLU E OE1 1 ATOM 16174 O OE2 . GLU E 1 153 ? 32.196 -4.162 50.731 1.00 8.68 ? 153 GLU E OE2 1 ATOM 16175 H H . GLU E 1 153 ? 36.048 -2.175 48.224 1.00 5.56 ? 153 GLU E H 1 ATOM 16176 H HA . GLU E 1 153 ? 37.273 -3.341 50.397 1.00 5.92 ? 153 GLU E HA 1 ATOM 16177 H HB2 . GLU E 1 153 ? 35.296 -4.645 48.829 1.00 6.55 ? 153 GLU E HB2 1 ATOM 16178 H HB3 . GLU E 1 153 ? 35.946 -5.212 50.166 1.00 6.55 ? 153 GLU E HB3 1 ATOM 16179 H HG2 . GLU E 1 153 ? 34.873 -3.524 51.388 1.00 6.88 ? 153 GLU E HG2 1 ATOM 16180 H HG3 . GLU E 1 153 ? 34.206 -2.987 50.052 1.00 6.88 ? 153 GLU E HG3 1 ATOM 16181 N N . ILE E 1 154 ? 38.890 -4.704 49.109 1.00 5.99 ? 154 ILE E N 1 ATOM 16182 C CA . ILE E 1 154 ? 39.904 -5.413 48.319 1.00 5.39 ? 154 ILE E CA 1 ATOM 16183 C C . ILE E 1 154 ? 40.143 -6.788 48.906 1.00 7.48 ? 154 ILE E C 1 ATOM 16184 O O . ILE E 1 154 ? 40.334 -6.945 50.116 1.00 7.81 ? 154 ILE E O 1 ATOM 16185 C CB . ILE E 1 154 ? 41.229 -4.646 48.277 1.00 7.48 ? 154 ILE E CB 1 ATOM 16186 C CG1 . ILE E 1 154 ? 41.081 -3.390 47.443 1.00 10.37 ? 154 ILE E CG1 1 ATOM 16187 C CG2 . ILE E 1 154 ? 42.371 -5.515 47.701 1.00 10.07 ? 154 ILE E CG2 1 ATOM 16188 C CD1 . ILE E 1 154 ? 42.342 -2.450 47.524 1.00 13.82 ? 154 ILE E CD1 1 ATOM 16189 H H . ILE E 1 154 ? 39.037 -4.734 49.956 1.00 7.17 ? 154 ILE E H 1 ATOM 16190 H HA . ILE E 1 154 ? 39.582 -5.522 47.400 1.00 6.46 ? 154 ILE E HA 1 ATOM 16191 H HB . ILE E 1 154 ? 41.465 -4.389 49.183 1.00 8.97 ? 154 ILE E HB 1 ATOM 16192 H HG12 . ILE E 1 154 ? 40.953 -3.641 46.515 1.00 12.43 ? 154 ILE E HG12 1 ATOM 16193 H HG13 . ILE E 1 154 ? 40.313 -2.890 47.761 1.00 12.43 ? 154 ILE E HG13 1 ATOM 16194 H HG21 . ILE E 1 154 ? 43.181 -5.000 47.692 1.00 12.07 ? 154 ILE E HG21 1 ATOM 16195 H HG22 . ILE E 1 154 ? 42.482 -6.291 48.255 1.00 12.07 ? 154 ILE E HG22 1 ATOM 16196 H HG23 . ILE E 1 154 ? 42.140 -5.780 46.808 1.00 12.07 ? 154 ILE E HG23 1 ATOM 16197 H HD11 . ILE E 1 154 ? 42.189 -1.675 46.978 1.00 16.57 ? 154 ILE E HD11 1 ATOM 16198 H HD12 . ILE E 1 154 ? 42.477 -2.186 48.437 1.00 16.57 ? 154 ILE E HD12 1 ATOM 16199 H HD13 . ILE E 1 154 ? 43.110 -2.929 47.204 1.00 16.57 ? 154 ILE E HD13 1 ATOM 16200 N N . GLY E 1 155 ? 40.208 -7.792 48.027 1.00 7.09 ? 155 GLY E N 1 ATOM 16201 C CA . GLY E 1 155 ? 40.478 -9.149 48.465 1.00 9.31 ? 155 GLY E CA 1 ATOM 16202 C C . GLY E 1 155 ? 41.268 -9.939 47.456 1.00 6.12 ? 155 GLY E C 1 ATOM 16203 O O . GLY E 1 155 ? 41.573 -9.473 46.365 1.00 6.73 ? 155 GLY E O 1 ATOM 16204 H H . GLY E 1 155 ? 40.099 -7.708 47.178 1.00 8.50 ? 155 GLY E H 1 ATOM 16205 H HA2 . GLY E 1 155 ? 40.978 -9.126 49.296 1.00 11.16 ? 155 GLY E HA2 1 ATOM 16206 H HA3 . GLY E 1 155 ? 39.639 -9.609 48.626 1.00 11.16 ? 155 GLY E HA3 1 ATOM 16207 N N . ASP E 1 156 ? 41.627 -11.163 47.865 1.00 6.76 ? 156 ASP E N 1 ATOM 16208 C CA . ASP E 1 156 ? 42.240 -12.159 46.976 1.00 6.62 ? 156 ASP E CA 1 ATOM 16209 C C . ASP E 1 156 ? 43.420 -11.600 46.190 1.00 6.32 ? 156 ASP E C 1 ATOM 16210 O O . ASP E 1 156 ? 43.526 -11.746 44.964 1.00 6.23 ? 156 ASP E O 1 ATOM 16211 C CB . ASP E 1 156 ? 41.155 -12.698 46.031 1.00 6.93 ? 156 ASP E CB 1 ATOM 16212 C CG . ASP E 1 156 ? 40.200 -13.625 46.694 1.00 9.84 ? 156 ASP E CG 1 ATOM 16213 O OD1 . ASP E 1 156 ? 40.506 -14.171 47.768 1.00 13.61 ? 156 ASP E OD1 1 ATOM 16214 O OD2 . ASP E 1 156 ? 39.107 -13.761 46.112 1.00 11.39 ? 156 ASP E OD2 1 ATOM 16215 H H . ASP E 1 156 ? 41.524 -11.444 48.671 1.00 8.11 ? 156 ASP E H 1 ATOM 16216 H HA . ASP E 1 156 ? 42.567 -12.908 47.517 1.00 7.94 ? 156 ASP E HA 1 ATOM 16217 H HB2 . ASP E 1 156 ? 40.647 -11.950 45.678 1.00 8.31 ? 156 ASP E HB2 1 ATOM 16218 H HB3 . ASP E 1 156 ? 41.582 -13.179 45.305 1.00 8.31 ? 156 ASP E HB3 1 ATOM 16219 N N . LEU E 1 157 ? 44.339 -10.960 46.915 1.00 5.27 ? 157 LEU E N 1 ATOM 16220 C CA . LEU E 1 157 ? 45.494 -10.368 46.289 1.00 4.94 ? 157 LEU E CA 1 ATOM 16221 C C . LEU E 1 157 ? 46.697 -11.321 46.279 1.00 5.96 ? 157 LEU E C 1 ATOM 16222 O O . LEU E 1 157 ? 47.044 -11.935 47.317 1.00 6.68 ? 157 LEU E O 1 ATOM 16223 C CB . LEU E 1 157 ? 45.880 -9.056 46.976 1.00 6.93 ? 157 LEU E CB 1 ATOM 16224 C CG . LEU E 1 157 ? 46.975 -8.226 46.331 1.00 6.12 ? 157 LEU E CG 1 ATOM 16225 C CD1 . LEU E 1 157 ? 46.737 -6.747 46.569 1.00 9.53 ? 157 LEU E CD1 1 ATOM 16226 C CD2 . LEU E 1 157 ? 48.337 -8.611 46.862 1.00 9.13 ? 157 LEU E CD2 1 ATOM 16227 H H . LEU E 1 157 ? 44.308 -10.860 47.769 1.00 6.32 ? 157 LEU E H 1 ATOM 16228 H HA . LEU E 1 157 ? 45.272 -10.161 45.357 1.00 5.91 ? 157 LEU E HA 1 ATOM 16229 H HB2 . LEU E 1 157 ? 45.088 -8.497 47.021 1.00 8.31 ? 157 LEU E HB2 1 ATOM 16230 H HB3 . LEU E 1 157 ? 46.174 -9.264 47.877 1.00 8.31 ? 157 LEU E HB3 1 ATOM 16231 H HG . LEU E 1 157 ? 46.969 -8.382 45.374 1.00 7.33 ? 157 LEU E HG 1 ATOM 16232 H HD11 . LEU E 1 157 ? 47.443 -6.247 46.151 1.00 11.43 ? 157 LEU E HD11 1 ATOM 16233 H HD12 . LEU E 1 157 ? 45.891 -6.502 46.187 1.00 11.43 ? 157 LEU E HD12 1 ATOM 16234 H HD13 . LEU E 1 157 ? 46.732 -6.580 47.514 1.00 11.43 ? 157 LEU E HD13 1 ATOM 16235 H HD21 . LEU E 1 157 ? 49.003 -8.068 46.434 1.00 10.95 ? 157 LEU E HD21 1 ATOM 16236 H HD22 . LEU E 1 157 ? 48.355 -8.465 47.811 1.00 10.95 ? 157 LEU E HD22 1 ATOM 16237 H HD23 . LEU E 1 157 ? 48.497 -9.537 46.670 1.00 10.95 ? 157 LEU E HD23 1 ATOM 16238 N N . TYR E 1 158 ? 47.323 -11.375 45.107 1.00 5.08 ? 158 TYR E N 1 ATOM 16239 C CA . TYR E 1 158 ? 48.491 -12.222 44.860 1.00 6.78 ? 158 TYR E CA 1 ATOM 16240 C C . TYR E 1 158 ? 49.465 -11.478 43.982 1.00 7.47 ? 158 TYR E C 1 ATOM 16241 O O . TYR E 1 158 ? 49.042 -10.787 43.060 1.00 7.35 ? 158 TYR E O 1 ATOM 16242 C CB . TYR E 1 158 ? 48.090 -13.506 44.126 1.00 6.38 ? 158 TYR E CB 1 ATOM 16243 C CG . TYR E 1 158 ? 47.122 -14.348 44.899 1.00 7.10 ? 158 TYR E CG 1 ATOM 16244 C CD1 . TYR E 1 158 ? 47.575 -15.332 45.787 1.00 7.54 ? 158 TYR E CD1 1 ATOM 16245 C CD2 . TYR E 1 158 ? 45.749 -14.170 44.789 1.00 5.90 ? 158 TYR E CD2 1 ATOM 16246 C CE1 . TYR E 1 158 ? 46.707 -16.073 46.527 1.00 8.83 ? 158 TYR E CE1 1 ATOM 16247 C CE2 . TYR E 1 158 ? 44.865 -14.935 45.560 1.00 7.24 ? 158 TYR E CE2 1 ATOM 16248 C CZ . TYR E 1 158 ? 45.359 -15.874 46.422 1.00 7.41 ? 158 TYR E CZ 1 ATOM 16249 O OH . TYR E 1 158 ? 44.416 -16.589 47.144 1.00 8.98 ? 158 TYR E OH 1 ATOM 16250 H H . TYR E 1 158 ? 47.084 -10.918 44.419 1.00 6.09 ? 158 TYR E H 1 ATOM 16251 H HA . TYR E 1 158 ? 48.928 -12.455 45.706 1.00 8.12 ? 158 TYR E HA 1 ATOM 16252 H HB2 . TYR E 1 158 ? 47.673 -13.270 43.283 1.00 7.64 ? 158 TYR E HB2 1 ATOM 16253 H HB3 . TYR E 1 158 ? 48.885 -14.038 43.965 1.00 7.64 ? 158 TYR E HB3 1 ATOM 16254 H HD1 . TYR E 1 158 ? 48.489 -15.466 45.888 1.00 9.04 ? 158 TYR E HD1 1 ATOM 16255 H HD2 . TYR E 1 158 ? 45.415 -13.514 44.220 1.00 7.07 ? 158 TYR E HD2 1 ATOM 16256 H HE1 . TYR E 1 158 ? 47.034 -16.714 47.115 1.00 10.59 ? 158 TYR E HE1 1 ATOM 16257 H HE2 . TYR E 1 158 ? 43.947 -14.804 45.486 1.00 8.67 ? 158 TYR E HE2 1 ATOM 16258 H HH . TYR E 1 158 ? 44.537 -16.480 47.948 1.00 10.77 ? 158 TYR E HH 1 ATOM 16259 N N . MET E 1 159 ? 50.760 -11.684 44.224 1.00 6.99 ? 159 MET E N 1 ATOM 16260 C CA . MET E 1 159 ? 51.788 -11.114 43.340 1.00 6.41 ? 159 MET E CA 1 ATOM 16261 C C . MET E 1 159 ? 52.877 -12.154 43.143 1.00 6.87 ? 159 MET E C 1 ATOM 16262 O O . MET E 1 159 ? 53.375 -12.708 44.140 1.00 7.80 ? 159 MET E O 1 ATOM 16263 C CB . MET E 1 159 ? 52.351 -9.819 43.914 1.00 7.24 ? 159 MET E CB 1 ATOM 16264 C CG . MET E 1 159 ? 53.257 -9.096 42.917 1.00 8.11 ? 159 MET E CG 1 ATOM 16265 S SD . MET E 1 159 ? 53.849 -7.547 43.646 1.00 10.72 ? 159 MET E SD 1 ATOM 16266 C CE . MET E 1 159 ? 54.865 -6.901 42.333 1.00 11.95 ? 159 MET E CE 1 ATOM 16267 H H . MET E 1 159 ? 51.070 -12.143 44.882 1.00 8.38 ? 159 MET E H 1 ATOM 16268 H HA . MET E 1 159 ? 51.382 -10.909 42.471 1.00 7.68 ? 159 MET E HA 1 ATOM 16269 H HB2 . MET E 1 159 ? 51.618 -9.226 44.141 1.00 8.68 ? 159 MET E HB2 1 ATOM 16270 H HB3 . MET E 1 159 ? 52.875 -10.022 44.705 1.00 8.68 ? 159 MET E HB3 1 ATOM 16271 H HG2 . MET E 1 159 ? 54.023 -9.653 42.708 1.00 9.71 ? 159 MET E HG2 1 ATOM 16272 H HG3 . MET E 1 159 ? 52.756 -8.888 42.113 1.00 9.71 ? 159 MET E HG3 1 ATOM 16273 H HE1 . MET E 1 159 ? 55.241 -6.063 42.612 1.00 14.33 ? 159 MET E HE1 1 ATOM 16274 H HE2 . MET E 1 159 ? 55.567 -7.528 42.144 1.00 14.33 ? 159 MET E HE2 1 ATOM 16275 H HE3 . MET E 1 159 ? 54.322 -6.773 41.552 1.00 14.33 ? 159 MET E HE3 1 ATOM 16276 N N . TRP E 1 160 ? 53.180 -12.438 41.869 1.00 7.47 ? 160 TRP E N 1 ATOM 16277 C CA . TRP E 1 160 ? 54.182 -13.419 41.448 1.00 7.32 ? 160 TRP E CA 1 ATOM 16278 C C . TRP E 1 160 ? 55.311 -12.720 40.729 1.00 9.28 ? 160 TRP E C 1 ATOM 16279 O O . TRP E 1 160 ? 55.099 -11.718 40.050 1.00 9.34 ? 160 TRP E O 1 ATOM 16280 C CB . TRP E 1 160 ? 53.541 -14.398 40.473 1.00 7.94 ? 160 TRP E CB 1 ATOM 16281 C CG . TRP E 1 160 ? 52.376 -15.206 40.910 1.00 7.63 ? 160 TRP E CG 1 ATOM 16282 C CD1 . TRP E 1 160 ? 52.400 -16.482 41.358 1.00 9.62 ? 160 TRP E CD1 1 ATOM 16283 C CD2 . TRP E 1 160 ? 50.993 -14.815 40.912 1.00 5.64 ? 160 TRP E CD2 1 ATOM 16284 N NE1 . TRP E 1 160 ? 51.141 -16.940 41.609 1.00 8.09 ? 160 TRP E NE1 1 ATOM 16285 C CE2 . TRP E 1 160 ? 50.242 -15.944 41.327 1.00 6.90 ? 160 TRP E CE2 1 ATOM 16286 C CE3 . TRP E 1 160 ? 50.298 -13.662 40.539 1.00 6.75 ? 160 TRP E CE3 1 ATOM 16287 C CZ2 . TRP E 1 160 ? 48.853 -15.931 41.416 1.00 7.25 ? 160 TRP E CZ2 1 ATOM 16288 C CZ3 . TRP E 1 160 ? 48.921 -13.657 40.614 1.00 7.24 ? 160 TRP E CZ3 1 ATOM 16289 C CH2 . TRP E 1 160 ? 48.204 -14.775 41.047 1.00 6.23 ? 160 TRP E CH2 1 ATOM 16290 H H . TRP E 1 160 ? 52.796 -12.054 41.202 1.00 8.95 ? 160 TRP E H 1 ATOM 16291 H HA . TRP E 1 160 ? 54.535 -13.907 42.221 1.00 8.77 ? 160 TRP E HA 1 ATOM 16292 H HB2 . TRP E 1 160 ? 53.252 -13.892 39.698 1.00 9.52 ? 160 TRP E HB2 1 ATOM 16293 H HB3 . TRP E 1 160 ? 54.226 -15.027 40.198 1.00 9.52 ? 160 TRP E HB3 1 ATOM 16294 H HD1 . TRP E 1 160 ? 53.174 -16.986 41.467 1.00 11.53 ? 160 TRP E HD1 1 ATOM 16295 H HE1 . TRP E 1 160 ? 50.944 -17.724 41.904 1.00 9.69 ? 160 TRP E HE1 1 ATOM 16296 H HE3 . TRP E 1 160 ? 50.755 -12.920 40.214 1.00 8.09 ? 160 TRP E HE3 1 ATOM 16297 H HZ2 . TRP E 1 160 ? 48.383 -16.669 41.730 1.00 8.68 ? 160 TRP E HZ2 1 ATOM 16298 H HZ3 . TRP E 1 160 ? 48.458 -12.885 40.381 1.00 8.68 ? 160 TRP E HZ3 1 ATOM 16299 H HH2 . TRP E 1 160 ? 47.279 -14.724 41.126 1.00 7.47 ? 160 TRP E HH2 1 ATOM 16300 N N . ASP E 1 161 ? 56.517 -13.278 40.830 1.00 9.26 ? 161 ASP E N 1 ATOM 16301 C CA . ASP E 1 161 ? 57.666 -12.722 40.118 1.00 9.08 ? 161 ASP E CA 1 ATOM 16302 C C . ASP E 1 161 ? 57.842 -13.311 38.713 1.00 10.84 ? 161 ASP E C 1 ATOM 16303 O O . ASP E 1 161 ? 58.975 -13.426 38.215 1.00 12.32 ? 161 ASP E O 1 ATOM 16304 C CB . ASP E 1 161 ? 58.955 -12.918 40.944 1.00 11.38 ? 161 ASP E CB 1 ATOM 16305 C CG . ASP E 1 161 ? 59.434 -14.346 40.966 1.00 14.45 ? 161 ASP E CG 1 ATOM 16306 O OD1 . ASP E 1 161 ? 58.710 -15.289 40.618 1.00 14.20 ? 161 ASP E OD1 1 ATOM 16307 O OD2 . ASP E 1 161 ? 60.639 -14.493 41.336 1.00 22.28 ? 161 ASP E OD2 1 ATOM 16308 H H . ASP E 1 161 ? 56.695 -13.974 41.302 1.00 11.10 ? 161 ASP E H 1 ATOM 16309 H HA . ASP E 1 161 ? 57.528 -11.758 40.015 1.00 10.89 ? 161 ASP E HA 1 ATOM 16310 H HB2 . ASP E 1 161 ? 59.660 -12.372 40.562 1.00 13.65 ? 161 ASP E HB2 1 ATOM 16311 H HB3 . ASP E 1 161 ? 58.786 -12.645 41.860 1.00 13.65 ? 161 ASP E HB3 1 ATOM 16312 N N . SER E 1 162 ? 56.739 -13.640 38.052 1.00 9.28 ? 162 SER E N 1 ATOM 16313 C CA . SER E 1 162 ? 56.718 -14.126 36.683 1.00 10.19 ? 162 SER E CA 1 ATOM 16314 C C . SER E 1 162 ? 55.468 -13.613 35.982 1.00 9.68 ? 162 SER E C 1 ATOM 16315 O O . SER E 1 162 ? 54.589 -13.070 36.648 1.00 9.44 ? 162 SER E O 1 ATOM 16316 C CB . SER E 1 162 ? 56.756 -15.651 36.671 1.00 12.92 ? 162 SER E CB 1 ATOM 16317 O OG . SER E 1 162 ? 55.595 -16.153 37.302 1.00 14.91 ? 162 SER E OG 1 ATOM 16318 H H . SER E 1 162 ? 55.953 -13.585 38.396 1.00 11.13 ? 162 SER E H 1 ATOM 16319 H HA . SER E 1 162 ? 57.504 -13.790 36.203 1.00 12.22 ? 162 SER E HA 1 ATOM 16320 H HB2 . SER E 1 162 ? 56.783 -15.964 35.753 1.00 15.49 ? 162 SER E HB2 1 ATOM 16321 H HB3 . SER E 1 162 ? 57.540 -15.956 37.153 1.00 15.49 ? 162 SER E HB3 1 ATOM 16322 H HG . SER E 1 162 ? 55.607 -16.973 37.301 1.00 17.88 ? 162 SER E HG 1 ATOM 16323 N N . VAL E 1 163 ? 55.422 -13.749 34.661 1.00 9.68 ? 163 VAL E N 1 ATOM 16324 C CA . VAL E 1 163 ? 54.264 -13.418 33.844 1.00 8.32 ? 163 VAL E CA 1 ATOM 16325 C C . VAL E 1 163 ? 53.359 -14.632 33.731 1.00 9.68 ? 163 VAL E C 1 ATOM 16326 O O . VAL E 1 163 ? 53.712 -15.629 33.062 1.00 13.43 ? 163 VAL E O 1 ATOM 16327 C CB . VAL E 1 163 ? 54.689 -12.988 32.443 1.00 9.59 ? 163 VAL E CB 1 ATOM 16328 C CG1 . VAL E 1 163 ? 53.464 -12.655 31.586 1.00 11.32 ? 163 VAL E CG1 1 ATOM 16329 C CG2 . VAL E 1 163 ? 55.604 -11.792 32.516 1.00 13.55 ? 163 VAL E CG2 1 ATOM 16330 H H . VAL E 1 163 ? 56.082 -14.046 34.197 1.00 11.60 ? 163 VAL E H 1 ATOM 16331 H HA . VAL E 1 163 ? 53.761 -12.687 34.260 1.00 9.98 ? 163 VAL E HA 1 ATOM 16332 H HB . VAL E 1 163 ? 55.175 -13.722 32.012 1.00 11.50 ? 163 VAL E HB 1 ATOM 16333 H HG11 . VAL E 1 163 ? 53.758 -12.387 30.712 1.00 13.57 ? 163 VAL E HG11 1 ATOM 16334 H HG12 . VAL E 1 163 ? 52.907 -13.434 31.521 1.00 13.57 ? 163 VAL E HG12 1 ATOM 16335 H HG13 . VAL E 1 163 ? 52.978 -11.939 32.002 1.00 13.57 ? 163 VAL E HG13 1 ATOM 16336 H HG21 . VAL E 1 163 ? 55.859 -11.539 31.625 1.00 16.25 ? 163 VAL E HG21 1 ATOM 16337 H HG22 . VAL E 1 163 ? 55.139 -11.068 32.942 1.00 16.25 ? 163 VAL E HG22 1 ATOM 16338 H HG23 . VAL E 1 163 ? 56.384 -12.026 33.025 1.00 16.25 ? 163 VAL E HG23 1 ATOM 16339 N N . LEU E 1 164 ? 52.191 -14.572 34.362 1.00 9.48 ? 164 LEU E N 1 ATOM 16340 C CA . LEU E 1 164 ? 51.287 -15.712 34.297 1.00 9.15 ? 164 LEU E CA 1 ATOM 16341 C C . LEU E 1 164 ? 50.695 -15.853 32.900 1.00 7.92 ? 164 LEU E C 1 ATOM 16342 O O . LEU E 1 164 ? 50.247 -14.884 32.289 1.00 10.25 ? 164 LEU E O 1 ATOM 16343 C CB . LEU E 1 164 ? 50.140 -15.557 35.285 1.00 11.75 ? 164 LEU E CB 1 ATOM 16344 C CG . LEU E 1 164 ? 50.459 -15.517 36.768 1.00 17.49 ? 164 LEU E CG 1 ATOM 16345 C CD1 . LEU E 1 164 ? 49.165 -15.565 37.580 1.00 15.55 ? 164 LEU E CD1 1 ATOM 16346 C CD2 . LEU E 1 164 ? 51.347 -16.659 37.124 1.00 16.95 ? 164 LEU E CD2 1 ATOM 16347 H H . LEU E 1 164 ? 51.906 -13.904 34.821 1.00 11.36 ? 164 LEU E H 1 ATOM 16348 H HA . LEU E 1 164 ? 51.777 -16.533 34.513 1.00 10.97 ? 164 LEU E HA 1 ATOM 16349 H HB2 . LEU E 1 164 ? 49.678 -14.730 35.076 1.00 14.09 ? 164 LEU E HB2 1 ATOM 16350 H HB3 . LEU E 1 164 ? 49.531 -16.300 35.150 1.00 14.09 ? 164 LEU E HB3 1 ATOM 16351 H HG . LEU E 1 164 ? 50.922 -14.690 36.977 1.00 20.98 ? 164 LEU E HG 1 ATOM 16352 H HD11 . LEU E 1 164 ? 49.383 -15.539 38.515 1.00 18.65 ? 164 LEU E HD11 1 ATOM 16353 H HD12 . LEU E 1 164 ? 48.623 -14.808 37.348 1.00 18.65 ? 164 LEU E HD12 1 ATOM 16354 H HD13 . LEU E 1 164 ? 48.698 -16.379 37.375 1.00 18.65 ? 164 LEU E HD13 1 ATOM 16355 H HD21 . LEU E 1 164 ? 51.541 -16.622 38.063 1.00 20.33 ? 164 LEU E HD21 1 ATOM 16356 H HD22 . LEU E 1 164 ? 50.897 -17.481 36.914 1.00 20.33 ? 164 LEU E HD22 1 ATOM 16357 H HD23 . LEU E 1 164 ? 52.160 -16.591 36.618 1.00 20.33 ? 164 LEU E HD23 1 ATOM 16358 N N . PRO E 1 165 ? 50.658 -17.092 32.388 1.00 9.38 ? 165 PRO E N 1 ATOM 16359 C CA . PRO E 1 165 ? 49.929 -17.368 31.160 1.00 10.15 ? 165 PRO E CA 1 ATOM 16360 C C . PRO E 1 165 ? 48.426 -17.305 31.356 1.00 8.28 ? 165 PRO E C 1 ATOM 16361 O O . PRO E 1 165 ? 47.938 -17.308 32.505 1.00 8.95 ? 165 PRO E O 1 ATOM 16362 C CB . PRO E 1 165 ? 50.319 -18.817 30.857 1.00 11.43 ? 165 PRO E CB 1 ATOM 16363 C CG . PRO E 1 165 ? 50.561 -19.413 32.164 1.00 13.78 ? 165 PRO E CG 1 ATOM 16364 C CD . PRO E 1 165 ? 51.219 -18.307 32.992 1.00 12.14 ? 165 PRO E CD 1 ATOM 16365 H HA . PRO E 1 165 ? 50.209 -16.776 30.431 1.00 12.17 ? 165 PRO E HA 1 ATOM 16366 H HB2 . PRO E 1 165 ? 49.589 -19.267 30.404 1.00 13.71 ? 165 PRO E HB2 1 ATOM 16367 H HB3 . PRO E 1 165 ? 51.124 -18.835 30.316 1.00 13.71 ? 165 PRO E HB3 1 ATOM 16368 H HG2 . PRO E 1 165 ? 49.718 -19.683 32.561 1.00 16.52 ? 165 PRO E HG2 1 ATOM 16369 H HG3 . PRO E 1 165 ? 51.157 -20.173 32.072 1.00 16.52 ? 165 PRO E HG3 1 ATOM 16370 H HD2 . PRO E 1 165 ? 50.958 -18.377 33.924 1.00 14.56 ? 165 PRO E HD2 1 ATOM 16371 H HD3 . PRO E 1 165 ? 52.183 -18.327 32.885 1.00 14.56 ? 165 PRO E HD3 1 ATOM 16372 N N . PRO E 1 166 ? 47.655 -17.217 30.269 1.00 9.90 ? 166 PRO E N 1 ATOM 16373 C CA . PRO E 1 166 ? 46.198 -17.062 30.389 1.00 9.51 ? 166 PRO E CA 1 ATOM 16374 C C . PRO E 1 166 ? 45.529 -18.062 31.305 1.00 9.11 ? 166 PRO E C 1 ATOM 16375 O O . PRO E 1 166 ? 44.674 -17.715 32.080 1.00 10.40 ? 166 PRO E O 1 ATOM 16376 C CB . PRO E 1 166 ? 45.705 -17.187 28.935 1.00 10.89 ? 166 PRO E CB 1 ATOM 16377 C CG . PRO E 1 166 ? 46.872 -16.592 28.140 1.00 10.81 ? 166 PRO E CG 1 ATOM 16378 C CD . PRO E 1 166 ? 48.101 -17.128 28.859 1.00 10.62 ? 166 PRO E CD 1 ATOM 16379 H HA . PRO E 1 166 ? 45.991 -16.160 30.711 1.00 11.39 ? 166 PRO E HA 1 ATOM 16380 H HB2 . PRO E 1 166 ? 45.565 -18.119 28.708 1.00 13.05 ? 166 PRO E HB2 1 ATOM 16381 H HB3 . PRO E 1 166 ? 44.895 -16.668 28.811 1.00 13.05 ? 166 PRO E HB3 1 ATOM 16382 H HG2 . PRO E 1 166 ? 46.842 -16.905 27.223 1.00 12.96 ? 166 PRO E HG2 1 ATOM 16383 H HG3 . PRO E 1 166 ? 46.841 -15.624 28.180 1.00 12.96 ? 166 PRO E HG3 1 ATOM 16384 H HD2 . PRO E 1 166 ? 48.334 -18.007 28.522 1.00 12.73 ? 166 PRO E HD2 1 ATOM 16385 H HD3 . PRO E 1 166 ? 48.840 -16.506 28.776 1.00 12.73 ? 166 PRO E HD3 1 ATOM 16386 N N . GLU E 1 167 ? 45.944 -19.315 31.246 1.00 9.18 ? 167 GLU E N 1 ATOM 16387 C CA . GLU E 1 167 ? 45.260 -20.286 32.065 1.00 11.28 ? 167 GLU E CA 1 ATOM 16388 C C . GLU E 1 167 ? 45.404 -19.994 33.563 1.00 9.51 ? 167 GLU E C 1 ATOM 16389 O O . GLU E 1 167 ? 44.485 -20.259 34.321 1.00 9.98 ? 167 GLU E O 1 ATOM 16390 C CB . GLU E 1 167 ? 45.712 -21.704 31.693 1.00 13.65 ? 167 GLU E CB 1 ATOM 16391 C CG . GLU E 1 167 ? 47.181 -21.986 31.814 1.00 18.32 ? 167 GLU E CG 1 ATOM 16392 C CD . GLU E 1 167 ? 48.024 -21.642 30.541 1.00 25.28 ? 167 GLU E CD 1 ATOM 16393 O OE1 . GLU E 1 167 ? 49.121 -22.268 30.484 1.00 31.81 ? 167 GLU E OE1 1 ATOM 16394 O OE2 . GLU E 1 167 ? 47.647 -20.829 29.598 1.00 17.27 ? 167 GLU E OE2 1 ATOM 16395 H H . GLU E 1 167 ? 46.588 -19.616 30.763 1.00 11.01 ? 167 GLU E H 1 ATOM 16396 H HA . GLU E 1 167 ? 44.303 -20.231 31.859 1.00 13.52 ? 167 GLU E HA 1 ATOM 16397 H HB2 . GLU E 1 167 ? 45.249 -22.332 32.270 1.00 16.37 ? 167 GLU E HB2 1 ATOM 16398 H HB3 . GLU E 1 167 ? 45.462 -21.870 30.771 1.00 16.37 ? 167 GLU E HB3 1 ATOM 16399 H HG2 . GLU E 1 167 ? 47.536 -21.464 32.550 1.00 21.98 ? 167 GLU E HG2 1 ATOM 16400 H HG3 . GLU E 1 167 ? 47.300 -22.931 31.998 1.00 21.98 ? 167 GLU E HG3 1 ATOM 16401 N N . ASN E 1 168 ? 46.565 -19.491 33.980 1.00 9.29 ? 168 ASN E N 1 ATOM 16402 C CA . ASN E 1 168 ? 46.785 -19.180 35.368 1.00 7.90 ? 168 ASN E CA 1 ATOM 16403 C C . ASN E 1 168 ? 46.037 -17.895 35.776 1.00 9.88 ? 168 ASN E C 1 ATOM 16404 O O . ASN E 1 168 ? 45.652 -17.748 36.942 1.00 9.30 ? 168 ASN E O 1 ATOM 16405 C CB . ASN E 1 168 ? 48.268 -18.972 35.687 1.00 9.21 ? 168 ASN E CB 1 ATOM 16406 C CG . ASN E 1 168 ? 49.162 -20.224 35.515 1.00 12.23 ? 168 ASN E CG 1 ATOM 16407 O OD1 . ASN E 1 168 ? 50.387 -20.086 35.444 1.00 15.61 ? 168 ASN E OD1 1 ATOM 16408 N ND2 . ASN E 1 168 ? 48.575 -21.408 35.474 1.00 15.23 ? 168 ASN E ND2 1 ATOM 16409 H H . ASN E 1 168 ? 47.237 -19.324 33.469 1.00 11.13 ? 168 ASN E H 1 ATOM 16410 H HA . ASN E 1 168 ? 46.452 -19.918 35.921 1.00 9.47 ? 168 ASN E HA 1 ATOM 16411 H HB2 . ASN E 1 168 ? 48.615 -18.283 35.099 1.00 11.04 ? 168 ASN E HB2 1 ATOM 16412 H HB3 . ASN E 1 168 ? 48.347 -18.682 36.609 1.00 11.04 ? 168 ASN E HB3 1 ATOM 16413 H HD21 . ASN E 1 168 ? 49.114 -22.219 35.366 1.00 18.26 ? 168 ASN E HD21 1 ATOM 16414 H HD22 . ASN E 1 168 ? 47.600 -21.475 35.552 1.00 18.26 ? 168 ASN E HD22 1 ATOM 16415 N N A ILE E 1 169 ? 45.811 -16.982 34.834 0.59 8.68 ? 169 ILE E N 1 ATOM 16416 N N B ILE E 1 169 ? 45.905 -16.963 34.828 0.41 8.23 ? 169 ILE E N 1 ATOM 16417 C CA A ILE E 1 169 ? 44.977 -15.798 35.130 0.59 6.35 ? 169 ILE E CA 1 ATOM 16418 C CA B ILE E 1 169 ? 45.077 -15.766 35.025 0.41 8.23 ? 169 ILE E CA 1 ATOM 16419 C C A ILE E 1 169 ? 43.509 -16.211 35.316 0.59 8.30 ? 169 ILE E C 1 ATOM 16420 C C B ILE E 1 169 ? 43.650 -16.198 35.322 0.41 6.86 ? 169 ILE E C 1 ATOM 16421 O O A ILE E 1 169 ? 42.839 -15.765 36.252 0.59 7.63 ? 169 ILE E O 1 ATOM 16422 O O B ILE E 1 169 ? 43.074 -15.788 36.327 0.41 8.73 ? 169 ILE E O 1 ATOM 16423 C CB A ILE E 1 169 ? 45.157 -14.728 34.028 0.59 8.81 ? 169 ILE E CB 1 ATOM 16424 C CB B ILE E 1 169 ? 45.107 -14.843 33.769 0.41 8.30 ? 169 ILE E CB 1 ATOM 16425 C CG1 A ILE E 1 169 ? 46.600 -14.255 34.009 0.59 9.67 ? 169 ILE E CG1 1 ATOM 16426 C CG1 B ILE E 1 169 ? 46.485 -14.187 33.618 0.41 10.29 ? 169 ILE E CG1 1 ATOM 16427 C CG2 A ILE E 1 169 ? 44.228 -13.535 34.242 0.59 8.03 ? 169 ILE E CG2 1 ATOM 16428 C CG2 B ILE E 1 169 ? 43.979 -13.807 33.833 0.41 7.48 ? 169 ILE E CG2 1 ATOM 16429 C CD1 A ILE E 1 169 ? 46.916 -13.499 32.769 0.59 12.75 ? 169 ILE E CD1 1 ATOM 16430 C CD1 B ILE E 1 169 ? 46.866 -13.207 34.742 0.41 11.14 ? 169 ILE E CD1 1 ATOM 16431 H H A ILE E 1 169 ? 46.117 -17.015 34.031 0.59 10.40 ? 169 ILE E H 1 ATOM 16432 H H B ILE E 1 169 ? 46.286 -17.000 34.057 0.41 9.86 ? 169 ILE E H 1 ATOM 16433 H HA A ILE E 1 169 ? 45.282 -15.406 35.974 0.59 7.61 ? 169 ILE E HA 1 ATOM 16434 H HA B ILE E 1 169 ? 45.415 -15.258 35.792 0.41 9.87 ? 169 ILE E HA 1 ATOM 16435 H HB A ILE E 1 169 ? 44.952 -15.129 33.169 0.59 10.56 ? 169 ILE E HB 1 ATOM 16436 H HB B ILE E 1 169 ? 44.956 -15.399 32.989 0.41 9.95 ? 169 ILE E HB 1 ATOM 16437 H HG12 A ILE E 1 169 ? 46.755 -13.671 34.768 0.59 11.59 ? 169 ILE E HG12 1 ATOM 16438 H HG12 B ILE E 1 169 ? 47.158 -14.884 33.597 0.41 12.33 ? 169 ILE E HG12 1 ATOM 16439 H HG13 A ILE E 1 169 ? 47.189 -15.024 34.053 0.59 11.59 ? 169 ILE E HG13 1 ATOM 16440 H HG13 B ILE E 1 169 ? 46.501 -13.694 32.783 0.41 12.33 ? 169 ILE E HG13 1 ATOM 16441 H HG21 A ILE E 1 169 ? 44.372 -12.897 33.539 0.59 9.62 ? 169 ILE E HG21 1 ATOM 16442 H HG21 B ILE E 1 169 ? 44.020 -13.253 33.051 0.41 8.96 ? 169 ILE E HG21 1 ATOM 16443 H HG22 A ILE E 1 169 ? 43.318 -13.841 34.226 0.59 9.62 ? 169 ILE E HG22 1 ATOM 16444 H HG22 B ILE E 1 169 ? 43.136 -14.265 33.867 0.41 8.96 ? 169 ILE E HG22 1 ATOM 16445 H HG23 A ILE E 1 169 ? 44.424 -13.136 35.093 0.59 9.62 ? 169 ILE E HG23 1 ATOM 16446 H HG23 B ILE E 1 169 ? 44.092 -13.270 34.621 0.41 8.96 ? 169 ILE E HG23 1 ATOM 16447 H HD11 A ILE E 1 169 ? 47.834 -13.220 32.799 0.59 15.29 ? 169 ILE E HD11 1 ATOM 16448 H HD11 B ILE E 1 169 ? 47.738 -12.849 34.562 0.41 13.36 ? 169 ILE E HD11 1 ATOM 16449 H HD12 A ILE E 1 169 ? 46.771 -14.069 32.011 0.59 15.29 ? 169 ILE E HD12 1 ATOM 16450 H HD12 B ILE E 1 169 ? 46.220 -12.497 34.770 0.41 13.36 ? 169 ILE E HD12 1 ATOM 16451 H HD13 A ILE E 1 169 ? 46.341 -12.731 32.717 0.59 15.29 ? 169 ILE E HD13 1 ATOM 16452 H HD13 B ILE E 1 169 ? 46.872 -13.678 35.579 0.41 13.36 ? 169 ILE E HD13 1 ATOM 16453 N N A LEU E 1 170 ? 42.997 -17.088 34.452 0.59 7.75 ? 170 LEU E N 1 ATOM 16454 N N B LEU E 1 170 ? 43.085 -17.047 34.460 0.41 9.78 ? 170 LEU E N 1 ATOM 16455 C CA A LEU E 1 170 ? 41.641 -17.549 34.628 0.59 10.01 ? 170 LEU E CA 1 ATOM 16456 C CA B LEU E 1 170 ? 41.716 -17.498 34.634 0.41 9.32 ? 170 LEU E CA 1 ATOM 16457 C C A LEU E 1 170 ? 41.507 -18.322 35.932 0.59 9.12 ? 170 LEU E C 1 ATOM 16458 C C B LEU E 1 170 ? 41.535 -18.290 35.928 0.41 9.39 ? 170 LEU E C 1 ATOM 16459 O O A LEU E 1 170 ? 40.488 -18.202 36.612 0.59 10.16 ? 170 LEU E O 1 ATOM 16460 O O B LEU E 1 170 ? 40.497 -18.177 36.579 0.41 10.04 ? 170 LEU E O 1 ATOM 16461 C CB A LEU E 1 170 ? 41.202 -18.384 33.420 0.59 12.59 ? 170 LEU E CB 1 ATOM 16462 C CB B LEU E 1 170 ? 41.262 -18.319 33.418 0.41 13.16 ? 170 LEU E CB 1 ATOM 16463 C CG A LEU E 1 170 ? 41.163 -17.521 32.154 0.59 16.47 ? 170 LEU E CG 1 ATOM 16464 C CG B LEU E 1 170 ? 40.579 -17.487 32.323 0.41 18.29 ? 170 LEU E CG 1 ATOM 16465 C CD1 A LEU E 1 170 ? 40.686 -18.357 30.973 0.59 23.67 ? 170 LEU E CD1 1 ATOM 16466 C CD1 B LEU E 1 170 ? 41.491 -16.396 31.754 0.41 19.77 ? 170 LEU E CD1 1 ATOM 16467 C CD2 A LEU E 1 170 ? 40.267 -16.286 32.306 0.59 19.46 ? 170 LEU E CD2 1 ATOM 16468 C CD2 B LEU E 1 170 ? 40.083 -18.409 31.215 0.41 20.50 ? 170 LEU E CD2 1 ATOM 16469 H H A LEU E 1 170 ? 43.411 -17.420 33.774 0.59 9.29 ? 170 LEU E H 1 ATOM 16470 H H B LEU E 1 170 ? 43.479 -17.373 33.768 0.41 11.73 ? 170 LEU E H 1 ATOM 16471 H HA A LEU E 1 170 ? 41.049 -16.770 34.682 0.59 12.00 ? 170 LEU E HA 1 ATOM 16472 H HA B LEU E 1 170 ? 41.136 -16.710 34.689 0.41 11.17 ? 170 LEU E HA 1 ATOM 16473 H HB2 A LEU E 1 170 ? 41.834 -19.106 33.280 0.59 15.10 ? 170 LEU E HB2 1 ATOM 16474 H HB2 B LEU E 1 170 ? 42.038 -18.747 33.023 0.41 15.78 ? 170 LEU E HB2 1 ATOM 16475 H HB3 A LEU E 1 170 ? 40.312 -18.737 33.578 0.59 15.10 ? 170 LEU E HB3 1 ATOM 16476 H HB3 B LEU E 1 170 ? 40.631 -18.993 33.715 0.41 15.78 ? 170 LEU E HB3 1 ATOM 16477 H HG A LEU E 1 170 ? 42.061 -17.213 31.957 0.59 19.75 ? 170 LEU E HG 1 ATOM 16478 H HG B LEU E 1 170 ? 39.804 -17.049 32.708 0.41 21.93 ? 170 LEU E HG 1 ATOM 16479 H HD11 A LEU E 1 170 ? 40.666 -17.805 30.188 0.59 28.40 ? 170 LEU E HD11 1 ATOM 16480 H HD11 B LEU E 1 170 ? 41.012 -15.911 31.078 0.41 23.71 ? 170 LEU E HD11 1 ATOM 16481 H HD12 A LEU E 1 170 ? 41.292 -19.089 30.844 0.59 28.40 ? 170 LEU E HD12 1 ATOM 16482 H HD12 B LEU E 1 170 ? 41.747 -15.802 32.463 0.41 23.71 ? 170 LEU E HD12 1 ATOM 16483 H HD13 A LEU E 1 170 ? 39.805 -18.690 31.162 0.59 28.40 ? 170 LEU E HD13 1 ATOM 16484 H HD13 B LEU E 1 170 ? 42.270 -16.807 31.373 0.41 23.71 ? 170 LEU E HD13 1 ATOM 16485 H HD21 A LEU E 1 170 ? 40.282 -15.787 31.486 0.59 23.34 ? 170 LEU E HD21 1 ATOM 16486 H HD21 B LEU E 1 170 ? 39.657 -17.880 30.536 0.41 24.59 ? 170 LEU E HD21 1 ATOM 16487 H HD22 A LEU E 1 170 ? 39.371 -16.573 32.499 0.59 23.34 ? 170 LEU E HD22 1 ATOM 16488 H HD22 B LEU E 1 170 ? 40.832 -18.880 30.843 0.41 24.59 ? 170 LEU E HD22 1 ATOM 16489 H HD23 A LEU E 1 170 ? 40.600 -15.745 33.025 0.59 23.34 ? 170 LEU E HD23 1 ATOM 16490 H HD23 B LEU E 1 170 ? 39.454 -19.033 31.586 0.41 24.59 ? 170 LEU E HD23 1 ATOM 16491 N N . SER E 1 171 ? 42.548 -19.062 36.306 1.00 9.23 ? 171 SER E N 1 ATOM 16492 C CA . SER E 1 171 ? 42.515 -19.784 37.592 1.00 10.03 ? 171 SER E CA 1 ATOM 16493 C C . SER E 1 171 ? 42.404 -18.808 38.745 1.00 8.98 ? 171 SER E C 1 ATOM 16494 O O . SER E 1 171 ? 41.630 -19.014 39.668 1.00 11.29 ? 171 SER E O 1 ATOM 16495 C CB . SER E 1 171 ? 43.741 -20.650 37.766 1.00 13.16 ? 171 SER E CB 1 ATOM 16496 O OG . SER E 1 171 ? 43.623 -21.743 36.896 1.00 15.29 ? 171 SER E OG 1 ATOM 16497 H H A SER E 1 171 ? 43.271 -19.165 35.853 0.59 11.07 ? 171 SER E H 1 ATOM 16498 H H B SER E 1 171 ? 43.264 -19.188 35.847 0.41 11.07 ? 171 SER E H 1 ATOM 16499 H HA . SER E 1 171 ? 41.727 -20.366 37.611 1.00 12.02 ? 171 SER E HA 1 ATOM 16500 H HB2 . SER E 1 171 ? 44.534 -20.140 37.540 1.00 15.78 ? 171 SER E HB2 1 ATOM 16501 H HB3 . SER E 1 171 ? 43.787 -20.967 38.682 1.00 15.78 ? 171 SER E HB3 1 ATOM 16502 H HG . SER E 1 171 ? 44.277 -22.232 36.970 1.00 18.34 ? 171 SER E HG 1 ATOM 16503 N N . ALA E 1 172 ? 43.139 -17.705 38.697 1.00 8.98 ? 172 ALA E N 1 ATOM 16504 C CA . ALA E 1 172 ? 42.999 -16.711 39.744 1.00 8.39 ? 172 ALA E CA 1 ATOM 16505 C C . ALA E 1 172 ? 41.590 -16.113 39.768 1.00 8.62 ? 172 ALA E C 1 ATOM 16506 O O . ALA E 1 172 ? 40.996 -15.939 40.824 1.00 9.66 ? 172 ALA E O 1 ATOM 16507 C CB . ALA E 1 172 ? 44.030 -15.630 39.612 1.00 9.34 ? 172 ALA E CB 1 ATOM 16508 H H . ALA E 1 172 ? 43.712 -17.513 38.085 1.00 10.76 ? 172 ALA E H 1 ATOM 16509 H HA . ALA E 1 172 ? 43.145 -17.150 40.607 1.00 10.06 ? 172 ALA E HA 1 ATOM 16510 H HB1 . ALA E 1 172 ? 43.906 -14.992 40.320 1.00 11.20 ? 172 ALA E HB1 1 ATOM 16511 H HB2 . ALA E 1 172 ? 44.904 -16.022 39.675 1.00 11.20 ? 172 ALA E HB2 1 ATOM 16512 H HB3 . ALA E 1 172 ? 43.924 -15.199 38.761 1.00 11.20 ? 172 ALA E HB3 1 ATOM 16513 N N . TYR E 1 173 ? 41.074 -15.783 38.592 1.00 9.24 ? 173 TYR E N 1 ATOM 16514 C CA . TYR E 1 173 ? 39.754 -15.173 38.484 1.00 9.14 ? 173 TYR E CA 1 ATOM 16515 C C . TYR E 1 173 ? 38.651 -16.079 39.030 1.00 7.94 ? 173 TYR E C 1 ATOM 16516 O O . TYR E 1 173 ? 37.788 -15.643 39.794 1.00 9.98 ? 173 TYR E O 1 ATOM 16517 C CB . TYR E 1 173 ? 39.498 -14.831 36.993 1.00 7.99 ? 173 TYR E CB 1 ATOM 16518 C CG . TYR E 1 173 ? 38.099 -14.340 36.677 1.00 8.88 ? 173 TYR E CG 1 ATOM 16519 C CD1 . TYR E 1 173 ? 37.507 -13.382 37.444 1.00 9.28 ? 173 TYR E CD1 1 ATOM 16520 C CD2 . TYR E 1 173 ? 37.386 -14.861 35.597 1.00 11.12 ? 173 TYR E CD2 1 ATOM 16521 C CE1 . TYR E 1 173 ? 36.214 -12.934 37.186 1.00 11.31 ? 173 TYR E CE1 1 ATOM 16522 C CE2 . TYR E 1 173 ? 36.101 -14.397 35.319 1.00 13.09 ? 173 TYR E CE2 1 ATOM 16523 C CZ . TYR E 1 173 ? 35.549 -13.447 36.116 1.00 11.35 ? 173 TYR E CZ 1 ATOM 16524 O OH . TYR E 1 173 ? 34.262 -12.998 35.806 1.00 17.87 ? 173 TYR E OH 1 ATOM 16525 H H . TYR E 1 173 ? 41.469 -15.901 37.838 1.00 11.08 ? 173 TYR E H 1 ATOM 16526 H HA . TYR E 1 173 ? 39.743 -14.337 38.995 1.00 10.95 ? 173 TYR E HA 1 ATOM 16527 H HB2 . TYR E 1 173 ? 40.119 -14.136 36.726 1.00 9.58 ? 173 TYR E HB2 1 ATOM 16528 H HB3 . TYR E 1 173 ? 39.655 -15.628 36.463 1.00 9.58 ? 173 TYR E HB3 1 ATOM 16529 H HD1 . TYR E 1 173 ? 37.968 -13.038 38.175 1.00 11.12 ? 173 TYR E HD1 1 ATOM 16530 H HD2 . TYR E 1 173 ? 37.773 -15.509 35.054 1.00 13.33 ? 173 TYR E HD2 1 ATOM 16531 H HE1 . TYR E 1 173 ? 35.826 -12.273 37.713 1.00 13.57 ? 173 TYR E HE1 1 ATOM 16532 H HE2 . TYR E 1 173 ? 35.625 -14.738 34.596 1.00 15.70 ? 173 TYR E HE2 1 ATOM 16533 H HH . TYR E 1 173 ? 33.732 -13.624 35.832 1.00 21.44 ? 173 TYR E HH 1 ATOM 16534 N N . GLN E 1 174 ? 38.667 -17.338 38.628 1.00 9.89 ? 174 GLN E N 1 ATOM 16535 C CA . GLN E 1 174 ? 37.503 -18.168 38.948 1.00 11.45 ? 174 GLN E CA 1 ATOM 16536 C C . GLN E 1 174 ? 37.852 -19.585 39.316 1.00 18.66 ? 174 GLN E C 1 ATOM 16537 O O . GLN E 1 174 ? 36.940 -20.400 39.543 1.00 20.91 ? 174 GLN E O 1 ATOM 16538 C CB . GLN E 1 174 ? 36.531 -18.208 37.746 1.00 15.58 ? 174 GLN E CB 1 ATOM 16539 C CG . GLN E 1 174 ? 35.622 -16.986 37.641 1.00 26.50 ? 174 GLN E CG 1 ATOM 16540 C CD . GLN E 1 174 ? 34.676 -17.080 36.435 1.00 37.70 ? 174 GLN E CD 1 ATOM 16541 O OE1 . GLN E 1 174 ? 35.009 -17.695 35.411 1.00 32.27 ? 174 GLN E OE1 1 ATOM 16542 N NE2 . GLN E 1 174 ? 33.496 -16.468 36.558 1.00 39.55 ? 174 GLN E NE2 1 ATOM 16543 H H . GLN E 1 174 ? 39.298 -17.725 38.191 1.00 11.85 ? 174 GLN E H 1 ATOM 16544 H HA . GLN E 1 174 ? 37.028 -17.769 39.707 1.00 13.73 ? 174 GLN E HA 1 ATOM 16545 H HB2 . GLN E 1 174 ? 37.049 -18.262 36.928 1.00 18.68 ? 174 GLN E HB2 1 ATOM 16546 H HB3 . GLN E 1 174 ? 35.964 -18.991 37.828 1.00 18.68 ? 174 GLN E HB3 1 ATOM 16547 H HG2 . GLN E 1 174 ? 35.083 -16.920 38.445 1.00 31.79 ? 174 GLN E HG2 1 ATOM 16548 H HG3 . GLN E 1 174 ? 36.168 -16.191 37.538 1.00 31.79 ? 174 GLN E HG3 1 ATOM 16549 H HE21 . GLN E 1 174 ? 32.930 -16.491 35.911 1.00 47.45 ? 174 GLN E HE21 1 ATOM 16550 H HE22 . GLN E 1 174 ? 33.301 -16.051 37.285 1.00 47.45 ? 174 GLN E HE22 1 ATOM 16551 N N . GLY E 1 175 ? 39.132 -19.914 39.371 1.00 15.36 ? 175 GLY E N 1 ATOM 16552 C CA . GLY E 1 175 ? 39.541 -21.247 39.784 1.00 15.73 ? 175 GLY E CA 1 ATOM 16553 C C . GLY E 1 175 ? 40.395 -21.141 41.046 1.00 18.88 ? 175 GLY E C 1 ATOM 16554 O O . GLY E 1 175 ? 40.155 -20.321 41.961 1.00 16.11 ? 175 GLY E O 1 ATOM 16555 H H . GLY E 1 175 ? 39.782 -19.386 39.176 1.00 18.42 ? 175 GLY E H 1 ATOM 16556 H HA2 . GLY E 1 175 ? 38.761 -21.792 39.972 1.00 18.87 ? 175 GLY E HA2 1 ATOM 16557 H HA3 . GLY E 1 175 ? 40.061 -21.669 39.082 1.00 18.87 ? 175 GLY E HA3 1 ATOM 16558 N N . THR E 1 176 ? 41.444 -21.946 41.101 1.00 14.10 ? 176 THR E N 1 ATOM 16559 C CA . THR E 1 176 ? 42.328 -21.834 42.231 1.00 11.23 ? 176 THR E CA 1 ATOM 16560 C C . THR E 1 176 ? 43.551 -21.024 41.802 1.00 12.04 ? 176 THR E C 1 ATOM 16561 O O . THR E 1 176 ? 44.278 -21.470 40.929 1.00 12.26 ? 176 THR E O 1 ATOM 16562 C CB . THR E 1 176 ? 42.773 -23.274 42.684 1.00 14.28 ? 176 THR E CB 1 ATOM 16563 O OG1 . THR E 1 176 ? 41.601 -24.058 42.944 1.00 16.60 ? 176 THR E OG1 1 ATOM 16564 C CG2 . THR E 1 176 ? 43.681 -23.258 43.967 1.00 21.50 ? 176 THR E CG2 1 ATOM 16565 H H . THR E 1 176 ? 41.657 -22.542 40.518 1.00 16.91 ? 176 THR E H 1 ATOM 16566 H HA . THR E 1 176 ? 41.879 -21.380 42.975 1.00 13.46 ? 176 THR E HA 1 ATOM 16567 H HB . THR E 1 176 ? 43.277 -23.689 41.966 1.00 17.13 ? 176 THR E HB 1 ATOM 16568 H HG1 . THR E 1 176 ? 41.143 -24.113 42.265 1.00 19.90 ? 176 THR E HG1 1 ATOM 16569 H HG21 . THR E 1 176 ? 43.928 -24.154 44.205 1.00 25.78 ? 176 THR E HG21 1 ATOM 16570 H HG22 . THR E 1 176 ? 44.478 -22.749 43.798 1.00 25.78 ? 176 THR E HG22 1 ATOM 16571 H HG23 . THR E 1 176 ? 43.206 -22.859 44.700 1.00 25.78 ? 176 THR E HG23 1 ATOM 16572 N N . PRO E 1 177 ? 43.820 -19.857 42.443 1.00 8.68 ? 177 PRO E N 1 ATOM 16573 C CA . PRO E 1 177 ? 45.067 -19.172 42.065 1.00 7.49 ? 177 PRO E CA 1 ATOM 16574 C C . PRO E 1 177 ? 46.296 -20.022 42.357 1.00 9.15 ? 177 PRO E C 1 ATOM 16575 O O . PRO E 1 177 ? 46.292 -20.756 43.356 1.00 10.55 ? 177 PRO E O 1 ATOM 16576 C CB . PRO E 1 177 ? 45.102 -17.933 42.954 1.00 10.29 ? 177 PRO E CB 1 ATOM 16577 C CG . PRO E 1 177 ? 44.065 -18.152 44.026 1.00 16.30 ? 177 PRO E CG 1 ATOM 16578 C CD . PRO E 1 177 ? 43.056 -19.120 43.478 1.00 11.04 ? 177 PRO E CD 1 ATOM 16579 H HA . PRO E 1 177 ? 45.053 -18.910 41.121 1.00 8.97 ? 177 PRO E HA 1 ATOM 16580 H HB2 . PRO E 1 177 ? 45.984 -17.842 43.348 1.00 12.33 ? 177 PRO E HB2 1 ATOM 16581 H HB3 . PRO E 1 177 ? 44.884 -17.149 42.425 1.00 12.33 ? 177 PRO E HB3 1 ATOM 16582 H HG2 . PRO E 1 177 ? 44.492 -18.522 44.814 1.00 19.55 ? 177 PRO E HG2 1 ATOM 16583 H HG3 . PRO E 1 177 ? 43.640 -17.307 44.238 1.00 19.55 ? 177 PRO E HG3 1 ATOM 16584 H HD2 . PRO E 1 177 ? 42.755 -19.726 44.173 1.00 13.24 ? 177 PRO E HD2 1 ATOM 16585 H HD3 . PRO E 1 177 ? 42.313 -18.643 43.075 1.00 13.24 ? 177 PRO E HD3 1 ATOM 16586 N N . LEU E 1 178 ? 47.310 -19.930 41.509 1.00 9.25 ? 178 LEU E N 1 ATOM 16587 C CA . LEU E 1 178 ? 48.580 -20.533 41.821 1.00 9.49 ? 178 LEU E CA 1 ATOM 16588 C C . LEU E 1 178 ? 49.164 -19.831 43.027 1.00 11.45 ? 178 LEU E C 1 ATOM 16589 O O . LEU E 1 178 ? 49.158 -18.606 43.101 1.00 10.48 ? 178 LEU E O 1 ATOM 16590 C CB . LEU E 1 178 ? 49.534 -20.364 40.641 1.00 12.65 ? 178 LEU E CB 1 ATOM 16591 C CG . LEU E 1 178 ? 49.305 -21.313 39.489 1.00 19.97 ? 178 LEU E CG 1 ATOM 16592 C CD1 . LEU E 1 178 ? 50.408 -21.056 38.496 1.00 27.29 ? 178 LEU E CD1 1 ATOM 16593 C CD2 . LEU E 1 178 ? 49.337 -22.749 39.984 1.00 29.28 ? 178 LEU E CD2 1 ATOM 16594 H H . LEU E 1 178 ? 47.283 -19.524 40.751 1.00 11.09 ? 178 LEU E H 1 ATOM 16595 H HA . LEU E 1 178 ? 48.469 -21.486 42.018 1.00 11.37 ? 178 LEU E HA 1 ATOM 16596 H HB2 . LEU E 1 178 ? 49.442 -19.461 40.298 1.00 15.17 ? 178 LEU E HB2 1 ATOM 16597 H HB3 . LEU E 1 178 ? 50.441 -20.501 40.957 1.00 15.17 ? 178 LEU E HB3 1 ATOM 16598 H HG . LEU E 1 178 ? 48.448 -21.136 39.070 1.00 23.95 ? 178 LEU E HG 1 ATOM 16599 H HD11 . LEU E 1 178 ? 50.295 -21.644 37.746 1.00 32.74 ? 178 LEU E HD11 1 ATOM 16600 H HD12 . LEU E 1 178 ? 50.360 -20.142 38.207 1.00 32.74 ? 178 LEU E HD12 1 ATOM 16601 H HD13 . LEU E 1 178 ? 51.253 -21.222 38.919 1.00 32.74 ? 178 LEU E HD13 1 ATOM 16602 H HD21 . LEU E 1 178 ? 49.191 -23.338 39.240 1.00 35.12 ? 178 LEU E HD21 1 ATOM 16603 H HD22 . LEU E 1 178 ? 50.195 -22.924 40.377 1.00 35.12 ? 178 LEU E HD22 1 ATOM 16604 H HD23 . LEU E 1 178 ? 48.646 -22.869 40.638 1.00 35.12 ? 178 LEU E HD23 1 ATOM 16605 N N . PRO E 1 179 ? 49.717 -20.571 43.997 1.00 9.21 ? 179 PRO E N 1 ATOM 16606 C CA . PRO E 1 179 ? 50.409 -19.901 45.087 1.00 7.34 ? 179 PRO E CA 1 ATOM 16607 C C . PRO E 1 179 ? 51.461 -18.917 44.596 1.00 7.60 ? 179 PRO E C 1 ATOM 16608 O O . PRO E 1 179 ? 52.133 -19.179 43.597 1.00 10.01 ? 179 PRO E O 1 ATOM 16609 C CB . PRO E 1 179 ? 51.049 -21.051 45.860 1.00 12.31 ? 179 PRO E CB 1 ATOM 16610 C CG . PRO E 1 179 ? 50.159 -22.236 45.537 1.00 12.75 ? 179 PRO E CG 1 ATOM 16611 C CD . PRO E 1 179 ? 49.692 -22.052 44.146 1.00 12.18 ? 179 PRO E CD 1 ATOM 16612 H HA . PRO E 1 179 ? 49.769 -19.435 45.665 1.00 8.79 ? 179 PRO E HA 1 ATOM 16613 H HB2 . PRO E 1 179 ? 51.954 -21.200 45.544 1.00 14.76 ? 179 PRO E HB2 1 ATOM 16614 H HB3 . PRO E 1 179 ? 51.039 -20.858 46.811 1.00 14.76 ? 179 PRO E HB3 1 ATOM 16615 H HG2 . PRO E 1 179 ? 50.672 -23.055 45.616 1.00 15.29 ? 179 PRO E HG2 1 ATOM 16616 H HG3 . PRO E 1 179 ? 49.405 -22.248 46.147 1.00 15.29 ? 179 PRO E HG3 1 ATOM 16617 H HD2 . PRO E 1 179 ? 50.308 -22.468 43.522 1.00 14.60 ? 179 PRO E HD2 1 ATOM 16618 H HD3 . PRO E 1 179 ? 48.790 -22.391 44.041 1.00 14.60 ? 179 PRO E HD3 1 ATOM 16619 N N . ALA E 1 180 ? 51.578 -17.784 45.291 1.00 8.26 ? 180 ALA E N 1 ATOM 16620 C CA . ALA E 1 180 ? 52.346 -16.651 44.835 1.00 7.45 ? 180 ALA E CA 1 ATOM 16621 C C . ALA E 1 180 ? 53.516 -16.373 45.764 1.00 9.61 ? 180 ALA E C 1 ATOM 16622 O O . ALA E 1 180 ? 53.419 -16.545 46.987 1.00 12.87 ? 180 ALA E O 1 ATOM 16623 C CB . ALA E 1 180 ? 51.402 -15.425 44.745 1.00 9.93 ? 180 ALA E CB 1 ATOM 16624 H H . ALA E 1 180 ? 51.204 -17.654 46.055 1.00 9.90 ? 180 ALA E H 1 ATOM 16625 H HA . ALA E 1 180 ? 52.700 -16.836 43.940 1.00 8.92 ? 180 ALA E HA 1 ATOM 16626 H HB1 . ALA E 1 180 ? 51.905 -14.665 44.442 1.00 11.91 ? 180 ALA E HB1 1 ATOM 16627 H HB2 . ALA E 1 180 ? 50.696 -15.620 44.124 1.00 11.91 ? 180 ALA E HB2 1 ATOM 16628 H HB3 . ALA E 1 180 ? 51.034 -15.249 45.614 1.00 11.91 ? 180 ALA E HB3 1 ATOM 16629 N N . ASN E 1 181 ? 54.632 -15.974 45.151 1.00 9.87 ? 181 ASN E N 1 ATOM 16630 C CA . ASN E 1 181 ? 55.868 -15.829 45.879 1.00 10.27 ? 181 ASN E CA 1 ATOM 16631 C C . ASN E 1 181 ? 56.284 -14.449 46.327 1.00 12.34 ? 181 ASN E C 1 ATOM 16632 O O . ASN E 1 181 ? 57.245 -14.318 47.113 1.00 18.15 ? 181 ASN E O 1 ATOM 16633 C CB . ASN E 1 181 ? 56.987 -16.563 45.136 1.00 9.75 ? 181 ASN E CB 1 ATOM 16634 C CG . ASN E 1 181 ? 57.270 -16.006 43.782 1.00 14.80 ? 181 ASN E CG 1 ATOM 16635 O OD1 . ASN E 1 181 ? 56.613 -15.089 43.311 1.00 11.13 ? 181 ASN E OD1 1 ATOM 16636 N ND2 . ASN E 1 181 ? 58.244 -16.595 43.114 1.00 17.64 ? 181 ASN E ND2 1 ATOM 16637 H H . ASN E 1 181 ? 54.689 -15.784 44.314 1.00 11.84 ? 181 ASN E H 1 ATOM 16638 H HA . ASN E 1 181 ? 55.745 -16.332 46.712 1.00 12.31 ? 181 ASN E HA 1 ATOM 16639 H HB2 . ASN E 1 181 ? 57.802 -16.503 45.658 1.00 11.69 ? 181 ASN E HB2 1 ATOM 16640 H HB3 . ASN E 1 181 ? 56.733 -17.493 45.027 1.00 11.69 ? 181 ASN E HB3 1 ATOM 16641 H HD21 . ASN E 1 181 ? 58.484 -16.280 42.217 1.00 21.16 ? 181 ASN E HD21 1 ATOM 16642 H HD22 . ASN E 1 181 ? 58.727 -17.348 43.514 1.00 21.16 ? 181 ASN E HD22 1 ATOM 16643 N N . ILE E 1 182 ? 55.584 -13.394 45.899 1.00 8.87 ? 182 ILE E N 1 ATOM 16644 C CA . ILE E 1 182 ? 55.871 -12.071 46.415 1.00 10.13 ? 182 ILE E CA 1 ATOM 16645 C C . ILE E 1 182 ? 54.859 -11.649 47.484 1.00 9.26 ? 182 ILE E C 1 ATOM 16646 O O . ILE E 1 182 ? 55.223 -11.244 48.592 1.00 11.57 ? 182 ILE E O 1 ATOM 16647 C CB . ILE E 1 182 ? 55.957 -10.997 45.301 1.00 11.21 ? 182 ILE E CB 1 ATOM 16648 C CG1 . ILE E 1 182 ? 57.025 -11.391 44.276 1.00 10.71 ? 182 ILE E CG1 1 ATOM 16649 C CG2 . ILE E 1 182 ? 56.297 -9.640 45.897 1.00 14.08 ? 182 ILE E CG2 1 ATOM 16650 C CD1 . ILE E 1 182 ? 57.086 -10.459 43.037 1.00 12.72 ? 182 ILE E CD1 1 ATOM 16651 H H . ILE E 1 182 ? 54.950 -13.425 45.320 1.00 10.63 ? 182 ILE E H 1 ATOM 16652 H HA . ILE E 1 182 ? 56.749 -12.101 46.849 1.00 12.15 ? 182 ILE E HA 1 ATOM 16653 H HB . ILE E 1 182 ? 55.098 -10.938 44.854 1.00 13.44 ? 182 ILE E HB 1 ATOM 16654 H HG12 . ILE E 1 182 ? 57.894 -11.369 44.707 1.00 12.84 ? 182 ILE E HG12 1 ATOM 16655 H HG13 . ILE E 1 182 ? 56.838 -12.290 43.961 1.00 12.84 ? 182 ILE E HG13 1 ATOM 16656 H HG21 . ILE E 1 182 ? 56.344 -8.992 45.190 1.00 16.89 ? 182 ILE E HG21 1 ATOM 16657 H HG22 . ILE E 1 182 ? 55.611 -9.393 46.522 1.00 16.89 ? 182 ILE E HG22 1 ATOM 16658 H HG23 . ILE E 1 182 ? 57.143 -9.699 46.345 1.00 16.89 ? 182 ILE E HG23 1 ATOM 16659 H HD11 . ILE E 1 182 ? 57.775 -10.771 42.446 1.00 15.26 ? 182 ILE E HD11 1 ATOM 16660 H HD12 . ILE E 1 182 ? 56.237 -10.478 42.590 1.00 15.26 ? 182 ILE E HD12 1 ATOM 16661 H HD13 . ILE E 1 182 ? 57.283 -9.566 43.328 1.00 15.26 ? 182 ILE E HD13 1 ATOM 16662 N N . LEU E 1 183 ? 53.565 -11.769 47.137 1.00 8.03 ? 183 LEU E N 1 ATOM 16663 C CA . LEU E 1 183 ? 52.458 -11.531 48.066 1.00 7.33 ? 183 LEU E CA 1 ATOM 16664 C C . LEU E 1 183 ? 51.412 -12.629 47.839 1.00 7.64 ? 183 LEU E C 1 ATOM 16665 O O . LEU E 1 183 ? 51.120 -12.994 46.701 1.00 7.80 ? 183 LEU E O 1 ATOM 16666 C CB . LEU E 1 183 ? 51.780 -10.173 47.805 1.00 7.59 ? 183 LEU E CB 1 ATOM 16667 C CG . LEU E 1 183 ? 52.678 -8.971 48.046 1.00 8.75 ? 183 LEU E CG 1 ATOM 16668 C CD1 . LEU E 1 183 ? 52.026 -7.718 47.477 1.00 8.79 ? 183 LEU E CD1 1 ATOM 16669 C CD2 . LEU E 1 183 ? 53.030 -8.812 49.539 1.00 10.39 ? 183 LEU E CD2 1 ATOM 16670 H H . LEU E 1 183 ? 53.304 -11.993 46.349 1.00 9.63 ? 183 LEU E H 1 ATOM 16671 H HA . LEU E 1 183 ? 52.774 -11.566 48.993 1.00 8.78 ? 183 LEU E HA 1 ATOM 16672 H HB2 . LEU E 1 183 ? 51.488 -10.144 46.881 1.00 9.09 ? 183 LEU E HB2 1 ATOM 16673 H HB3 . LEU E 1 183 ? 51.013 -10.091 48.393 1.00 9.09 ? 183 LEU E HB3 1 ATOM 16674 H HG . LEU E 1 183 ? 53.509 -9.109 47.565 1.00 10.49 ? 183 LEU E HG 1 ATOM 16675 H HD11 . LEU E 1 183 ? 52.603 -6.967 47.635 1.00 10.53 ? 183 LEU E HD11 1 ATOM 16676 H HD12 . LEU E 1 183 ? 51.893 -7.836 46.533 1.00 10.53 ? 183 LEU E HD12 1 ATOM 16677 H HD13 . LEU E 1 183 ? 51.182 -7.580 47.912 1.00 10.53 ? 183 LEU E HD13 1 ATOM 16678 H HD21 . LEU E 1 183 ? 53.597 -8.045 49.647 1.00 12.45 ? 183 LEU E HD21 1 ATOM 16679 H HD22 . LEU E 1 183 ? 52.220 -8.695 50.040 1.00 12.45 ? 183 LEU E HD22 1 ATOM 16680 H HD23 . LEU E 1 183 ? 53.488 -9.602 49.838 1.00 12.45 ? 183 LEU E HD23 1 ATOM 16681 N N . ASP E 1 184 ? 50.886 -13.177 48.925 1.00 7.45 ? 184 ASP E N 1 ATOM 16682 C CA . ASP E 1 184 ? 49.902 -14.255 48.827 1.00 6.88 ? 184 ASP E CA 1 ATOM 16683 C C . ASP E 1 184 ? 48.857 -14.106 49.925 1.00 7.67 ? 184 ASP E C 1 ATOM 16684 O O . ASP E 1 184 ? 49.183 -14.002 51.116 1.00 8.03 ? 184 ASP E O 1 ATOM 16685 C CB . ASP E 1 184 ? 50.637 -15.600 48.934 1.00 7.75 ? 184 ASP E CB 1 ATOM 16686 C CG . ASP E 1 184 ? 49.722 -16.790 48.690 1.00 10.52 ? 184 ASP E CG 1 ATOM 16687 O OD1 . ASP E 1 184 ? 49.873 -17.530 47.711 1.00 11.47 ? 184 ASP E OD1 1 ATOM 16688 O OD2 . ASP E 1 184 ? 48.862 -17.030 49.519 1.00 12.05 ? 184 ASP E OD2 1 ATOM 16689 H H . ASP E 1 184 ? 51.078 -12.946 49.731 1.00 8.93 ? 184 ASP E H 1 ATOM 16690 H HA . ASP E 1 184 ? 49.452 -14.213 47.958 1.00 8.24 ? 184 ASP E HA 1 ATOM 16691 H HB2 . ASP E 1 184 ? 51.347 -15.626 48.274 1.00 9.29 ? 184 ASP E HB2 1 ATOM 16692 H HB3 . ASP E 1 184 ? 51.010 -15.686 49.826 1.00 9.29 ? 184 ASP E HB3 1 ATOM 16693 N N . TRP E 1 185 ? 47.579 -14.086 49.503 1.00 7.13 ? 185 TRP E N 1 ATOM 16694 C CA . TRP E 1 185 ? 46.461 -13.850 50.381 1.00 7.17 ? 185 TRP E CA 1 ATOM 16695 C C . TRP E 1 185 ? 46.308 -14.874 51.499 1.00 7.03 ? 185 TRP E C 1 ATOM 16696 O O . TRP E 1 185 ? 45.724 -14.562 52.521 1.00 7.72 ? 185 TRP E O 1 ATOM 16697 C CB . TRP E 1 185 ? 45.178 -13.772 49.517 1.00 6.37 ? 185 TRP E CB 1 ATOM 16698 C CG . TRP E 1 185 ? 44.046 -12.991 50.138 1.00 6.26 ? 185 TRP E CG 1 ATOM 16699 C CD1 . TRP E 1 185 ? 42.825 -13.465 50.537 1.00 6.56 ? 185 TRP E CD1 1 ATOM 16700 C CD2 . TRP E 1 185 ? 44.034 -11.583 50.413 1.00 6.65 ? 185 TRP E CD2 1 ATOM 16701 N NE1 . TRP E 1 185 ? 42.044 -12.420 50.987 1.00 7.19 ? 185 TRP E NE1 1 ATOM 16702 C CE2 . TRP E 1 185 ? 42.791 -11.269 50.958 1.00 6.88 ? 185 TRP E CE2 1 ATOM 16703 C CE3 . TRP E 1 185 ? 44.964 -10.558 50.241 1.00 6.84 ? 185 TRP E CE3 1 ATOM 16704 C CZ2 . TRP E 1 185 ? 42.439 -9.973 51.336 1.00 6.76 ? 185 TRP E CZ2 1 ATOM 16705 C CZ3 . TRP E 1 185 ? 44.597 -9.261 50.600 1.00 7.67 ? 185 TRP E CZ3 1 ATOM 16706 C CH2 . TRP E 1 185 ? 43.377 -8.994 51.163 1.00 7.57 ? 185 TRP E CH2 1 ATOM 16707 H H . TRP E 1 185 ? 47.347 -14.212 48.684 1.00 8.55 ? 185 TRP E H 1 ATOM 16708 H HA . TRP E 1 185 ? 46.582 -12.974 50.805 1.00 8.59 ? 185 TRP E HA 1 ATOM 16709 H HB2 . TRP E 1 185 ? 45.398 -13.348 48.673 1.00 7.64 ? 185 TRP E HB2 1 ATOM 16710 H HB3 . TRP E 1 185 ? 44.858 -14.674 49.356 1.00 7.64 ? 185 TRP E HB3 1 ATOM 16711 H HD1 . TRP E 1 185 ? 42.543 -14.347 50.458 1.00 7.86 ? 185 TRP E HD1 1 ATOM 16712 H HE1 . TRP E 1 185 ? 41.254 -12.495 51.318 1.00 8.61 ? 185 TRP E HE1 1 ATOM 16713 H HE3 . TRP E 1 185 ? 45.800 -10.731 49.870 1.00 8.20 ? 185 TRP E HE3 1 ATOM 16714 H HZ2 . TRP E 1 185 ? 41.603 -9.784 51.698 1.00 8.10 ? 185 TRP E HZ2 1 ATOM 16715 H HZ3 . TRP E 1 185 ? 45.217 -8.573 50.511 1.00 9.19 ? 185 TRP E HZ3 1 ATOM 16716 H HH2 . TRP E 1 185 ? 43.169 -8.119 51.402 1.00 9.07 ? 185 TRP E HH2 1 ATOM 16717 N N . GLN E 1 186 ? 46.820 -16.096 51.274 1.00 7.38 ? 186 GLN E N 1 ATOM 16718 C CA . GLN E 1 186 ? 46.763 -17.147 52.299 1.00 6.86 ? 186 GLN E CA 1 ATOM 16719 C C . GLN E 1 186 ? 47.895 -17.027 53.329 1.00 8.81 ? 186 GLN E C 1 ATOM 16720 O O . GLN E 1 186 ? 47.883 -17.750 54.360 1.00 10.26 ? 186 GLN E O 1 ATOM 16721 C CB . GLN E 1 186 ? 46.821 -18.543 51.629 1.00 7.49 ? 186 GLN E CB 1 ATOM 16722 C CG . GLN E 1 186 ? 45.512 -19.047 51.127 1.00 7.42 ? 186 GLN E CG 1 ATOM 16723 C CD . GLN E 1 186 ? 44.937 -18.250 49.985 1.00 8.10 ? 186 GLN E CD 1 ATOM 16724 O OE1 . GLN E 1 186 ? 45.567 -18.126 48.940 1.00 8.15 ? 186 GLN E OE1 1 ATOM 16725 N NE2 . GLN E 1 186 ? 43.762 -17.699 50.178 1.00 9.15 ? 186 GLN E NE2 1 ATOM 16726 H H . GLN E 1 186 ? 47.201 -16.337 50.542 1.00 8.85 ? 186 GLN E H 1 ATOM 16727 H HA . GLN E 1 186 ? 45.911 -17.078 52.778 1.00 8.22 ? 186 GLN E HA 1 ATOM 16728 H HB2 . GLN E 1 186 ? 47.427 -18.499 50.873 1.00 8.98 ? 186 GLN E HB2 1 ATOM 16729 H HB3 . GLN E 1 186 ? 47.153 -19.184 52.277 1.00 8.98 ? 186 GLN E HB3 1 ATOM 16730 H HG2 . GLN E 1 186 ? 45.627 -19.960 50.822 1.00 8.89 ? 186 GLN E HG2 1 ATOM 16731 H HG3 . GLN E 1 186 ? 44.871 -19.024 51.855 1.00 8.89 ? 186 GLN E HG3 1 ATOM 16732 H HE21 . GLN E 1 186 ? 43.397 -17.235 49.552 1.00 10.97 ? 186 GLN E HE21 1 ATOM 16733 H HE22 . GLN E 1 186 ? 43.358 -17.801 50.930 1.00 10.97 ? 186 GLN E HE22 1 ATOM 16734 N N . ALA E 1 187 ? 48.848 -16.142 53.101 1.00 8.89 ? 187 ALA E N 1 ATOM 16735 C CA . ALA E 1 187 ? 49.975 -15.970 54.021 1.00 7.18 ? 187 ALA E CA 1 ATOM 16736 C C . ALA E 1 187 ? 50.521 -14.585 53.866 1.00 9.19 ? 187 ALA E C 1 ATOM 16737 O O . ALA E 1 187 ? 51.651 -14.391 53.427 1.00 10.26 ? 187 ALA E O 1 ATOM 16738 C CB . ALA E 1 187 ? 51.046 -16.990 53.721 1.00 11.24 ? 187 ALA E CB 1 ATOM 16739 H H . ALA E 1 187 ? 48.872 -15.621 52.417 1.00 10.66 ? 187 ALA E H 1 ATOM 16740 H HA . ALA E 1 187 ? 49.673 -16.090 54.946 1.00 8.60 ? 187 ALA E HA 1 ATOM 16741 H HB1 . ALA E 1 187 ? 51.776 -16.865 54.331 1.00 13.47 ? 187 ALA E HB1 1 ATOM 16742 H HB2 . ALA E 1 187 ? 50.677 -17.870 53.827 1.00 13.47 ? 187 ALA E HB2 1 ATOM 16743 H HB3 . ALA E 1 187 ? 51.348 -16.868 52.818 1.00 13.47 ? 187 ALA E HB3 1 ATOM 16744 N N . LEU E 1 188 ? 49.686 -13.637 54.237 1.00 9.74 ? 188 LEU E N 1 ATOM 16745 C CA . LEU E 1 188 ? 49.975 -12.225 54.021 1.00 8.02 ? 188 LEU E CA 1 ATOM 16746 C C . LEU E 1 188 ? 50.523 -11.581 55.295 1.00 7.09 ? 188 LEU E C 1 ATOM 16747 O O . LEU E 1 188 ? 49.936 -11.717 56.370 1.00 9.74 ? 188 LEU E O 1 ATOM 16748 C CB . LEU E 1 188 ? 48.678 -11.524 53.564 1.00 9.10 ? 188 LEU E CB 1 ATOM 16749 C CG . LEU E 1 188 ? 48.916 -10.118 52.957 1.00 8.91 ? 188 LEU E CG 1 ATOM 16750 C CD1 . LEU E 1 188 ? 49.594 -10.214 51.603 1.00 11.82 ? 188 LEU E CD1 1 ATOM 16751 C CD2 . LEU E 1 188 ? 47.625 -9.334 52.824 1.00 10.46 ? 188 LEU E CD2 1 ATOM 16752 H H . LEU E 1 188 ? 48.931 -13.782 54.622 1.00 11.68 ? 188 LEU E H 1 ATOM 16753 H HA . LEU E 1 188 ? 50.645 -12.132 53.313 1.00 9.61 ? 188 LEU E HA 1 ATOM 16754 H HB2 . LEU E 1 188 ? 48.248 -12.071 52.888 1.00 10.90 ? 188 LEU E HB2 1 ATOM 16755 H HB3 . LEU E 1 188 ? 48.090 -11.422 54.329 1.00 10.90 ? 188 LEU E HB3 1 ATOM 16756 H HG . LEU E 1 188 ? 49.504 -9.621 53.547 1.00 10.68 ? 188 LEU E HG 1 ATOM 16757 H HD11 . LEU E 1 188 ? 49.726 -9.329 51.257 1.00 14.18 ? 188 LEU E HD11 1 ATOM 16758 H HD12 . LEU E 1 188 ? 50.440 -10.655 51.708 1.00 14.18 ? 188 LEU E HD12 1 ATOM 16759 H HD13 . LEU E 1 188 ? 49.033 -10.718 51.009 1.00 14.18 ? 188 LEU E HD13 1 ATOM 16760 H HD21 . LEU E 1 188 ? 47.820 -8.474 52.446 1.00 12.54 ? 188 LEU E HD21 1 ATOM 16761 H HD22 . LEU E 1 188 ? 47.025 -9.816 52.251 1.00 12.54 ? 188 LEU E HD22 1 ATOM 16762 H HD23 . LEU E 1 188 ? 47.233 -9.229 53.694 1.00 12.54 ? 188 LEU E HD23 1 ATOM 16763 N N A ASN E 1 189 ? 51.615 -10.836 55.131 0.43 8.50 ? 189 ASN E N 1 ATOM 16764 N N B ASN E 1 189 ? 51.623 -10.848 55.155 0.57 8.82 ? 189 ASN E N 1 ATOM 16765 C CA A ASN E 1 189 ? 52.177 -10.008 56.187 0.43 8.98 ? 189 ASN E CA 1 ATOM 16766 C CA B ASN E 1 189 ? 52.121 -10.024 56.241 0.57 8.64 ? 189 ASN E CA 1 ATOM 16767 C C A ASN E 1 189 ? 51.744 -8.573 55.937 0.43 9.27 ? 189 ASN E C 1 ATOM 16768 C C B ASN E 1 189 ? 51.730 -8.594 55.942 0.57 9.44 ? 189 ASN E C 1 ATOM 16769 O O A ASN E 1 189 ? 52.139 -7.973 54.945 0.43 10.12 ? 189 ASN E O 1 ATOM 16770 O O B ASN E 1 189 ? 52.119 -8.038 54.922 0.57 9.98 ? 189 ASN E O 1 ATOM 16771 C CB A ASN E 1 189 ? 53.701 -10.103 56.158 0.43 10.93 ? 189 ASN E CB 1 ATOM 16772 C CB B ASN E 1 189 ? 53.631 -10.165 56.374 0.57 10.09 ? 189 ASN E CB 1 ATOM 16773 C CG A ASN E 1 189 ? 54.342 -9.583 57.426 0.43 12.11 ? 189 ASN E CG 1 ATOM 16774 C CG B ASN E 1 189 ? 54.039 -11.504 56.969 0.57 12.79 ? 189 ASN E CG 1 ATOM 16775 O OD1 A ASN E 1 189 ? 53.658 -9.283 58.400 0.43 15.94 ? 189 ASN E OD1 1 ATOM 16776 O OD1 B ASN E 1 189 ? 53.516 -11.917 58.007 0.57 16.01 ? 189 ASN E OD1 1 ATOM 16777 N ND2 A ASN E 1 189 ? 55.664 -9.501 57.429 0.43 14.79 ? 189 ASN E ND2 1 ATOM 16778 N ND2 B ASN E 1 189 ? 54.952 -12.190 56.311 0.57 26.64 ? 189 ASN E ND2 1 ATOM 16779 H H A ASN E 1 189 ? 52.057 -10.795 54.395 0.43 10.19 ? 189 ASN E H 1 ATOM 16780 H H B ASN E 1 189 ? 52.098 -10.813 54.438 0.57 10.57 ? 189 ASN E H 1 ATOM 16781 H HA A ASN E 1 189 ? 51.848 -10.301 57.063 0.43 10.77 ? 189 ASN E HA 1 ATOM 16782 H HA B ASN E 1 189 ? 51.703 -10.297 57.084 0.57 10.35 ? 189 ASN E HA 1 ATOM 16783 H HB2 A ASN E 1 189 ? 53.958 -11.032 56.051 0.43 13.10 ? 189 ASN E HB2 1 ATOM 16784 H HB2 B ASN E 1 189 ? 54.036 -10.090 55.496 0.57 12.09 ? 189 ASN E HB2 1 ATOM 16785 H HB3 A ASN E 1 189 ? 54.037 -9.578 55.415 0.43 13.10 ? 189 ASN E HB3 1 ATOM 16786 H HB3 B ASN E 1 189 ? 53.965 -9.463 56.955 0.57 12.09 ? 189 ASN E HB3 1 ATOM 16787 H HD21 A ASN E 1 189 ? 56.133 -9.170 58.223 0.43 17.73 ? 189 ASN E HD21 1 ATOM 16788 H HD21 B ASN E 1 189 ? 55.251 -13.059 56.650 0.57 31.96 ? 189 ASN E HD21 1 ATOM 16789 H HD22 A ASN E 1 189 ? 56.173 -9.770 56.636 0.43 17.73 ? 189 ASN E HD22 1 ATOM 16790 H HD22 B ASN E 1 189 ? 55.332 -11.830 55.482 0.57 31.96 ? 189 ASN E HD22 1 ATOM 16791 N N . TYR E 1 190 ? 50.903 -8.034 56.811 1.00 10.70 ? 190 TYR E N 1 ATOM 16792 C CA . TYR E 1 190 ? 50.362 -6.696 56.587 1.00 10.01 ? 190 TYR E CA 1 ATOM 16793 C C . TYR E 1 190 ? 50.328 -5.892 57.871 1.00 11.15 ? 190 TYR E C 1 ATOM 16794 O O . TYR E 1 190 ? 50.427 -6.440 58.973 1.00 12.36 ? 190 TYR E O 1 ATOM 16795 C CB . TYR E 1 190 ? 48.941 -6.775 55.966 1.00 11.83 ? 190 TYR E CB 1 ATOM 16796 C CG . TYR E 1 190 ? 47.937 -7.436 56.863 1.00 9.74 ? 190 TYR E CG 1 ATOM 16797 C CD1 . TYR E 1 190 ? 47.223 -6.691 57.778 1.00 10.13 ? 190 TYR E CD1 1 ATOM 16798 C CD2 . TYR E 1 190 ? 47.723 -8.816 56.834 1.00 11.36 ? 190 TYR E CD2 1 ATOM 16799 C CE1 . TYR E 1 190 ? 46.328 -7.296 58.655 1.00 11.37 ? 190 TYR E CE1 1 ATOM 16800 C CE2 . TYR E 1 190 ? 46.840 -9.407 57.664 1.00 12.75 ? 190 TYR E CE2 1 ATOM 16801 C CZ . TYR E 1 190 ? 46.150 -8.666 58.594 1.00 13.34 ? 190 TYR E CZ 1 ATOM 16802 O OH . TYR E 1 190 ? 45.253 -9.277 59.459 1.00 16.41 ? 190 TYR E OH 1 ATOM 16803 H H A TYR E 1 190 ? 50.632 -8.414 57.533 0.44 12.83 ? 190 TYR E H 1 ATOM 16804 H H B TYR E 1 190 ? 50.637 -8.404 57.540 0.56 12.83 ? 190 TYR E H 1 ATOM 16805 H HA . TYR E 1 190 ? 50.941 -6.224 55.953 1.00 12.00 ? 190 TYR E HA 1 ATOM 16806 H HB2 . TYR E 1 190 ? 48.629 -5.876 55.780 1.00 14.18 ? 190 TYR E HB2 1 ATOM 16807 H HB3 . TYR E 1 190 ? 48.986 -7.285 55.142 1.00 14.18 ? 190 TYR E HB3 1 ATOM 16808 H HD1 . TYR E 1 190 ? 47.366 -5.773 57.832 1.00 12.15 ? 190 TYR E HD1 1 ATOM 16809 H HD2 . TYR E 1 190 ? 48.196 -9.337 56.226 1.00 13.63 ? 190 TYR E HD2 1 ATOM 16810 H HE1 . TYR E 1 190 ? 45.854 -6.787 59.272 1.00 13.63 ? 190 TYR E HE1 1 ATOM 16811 H HE2 . TYR E 1 190 ? 46.723 -10.329 57.630 1.00 15.29 ? 190 TYR E HE2 1 ATOM 16812 H HH . TYR E 1 190 ? 45.644 -9.826 59.926 1.00 19.68 ? 190 TYR E HH 1 ATOM 16813 N N . GLU E 1 191 ? 50.129 -4.584 57.731 1.00 9.29 ? 191 GLU E N 1 ATOM 16814 C CA . GLU E 1 191 ? 49.957 -3.671 58.842 1.00 10.17 ? 191 GLU E CA 1 ATOM 16815 C C . GLU E 1 191 ? 48.777 -2.773 58.527 1.00 10.21 ? 191 GLU E C 1 ATOM 16816 O O . GLU E 1 191 ? 48.826 -2.042 57.548 1.00 10.49 ? 191 GLU E O 1 ATOM 16817 C CB . GLU E 1 191 ? 51.189 -2.790 59.057 1.00 11.89 ? 191 GLU E CB 1 ATOM 16818 C CG . GLU E 1 191 ? 52.454 -3.569 59.355 1.00 15.84 ? 191 GLU E CG 1 ATOM 16819 C CD . GLU E 1 191 ? 53.706 -2.723 59.332 1.00 18.57 ? 191 GLU E CD 1 ATOM 16820 O OE1 . GLU E 1 191 ? 53.739 -1.673 58.674 1.00 16.47 ? 191 GLU E OE1 1 ATOM 16821 O OE2 . GLU E 1 191 ? 54.711 -3.169 59.965 1.00 22.57 ? 191 GLU E OE2 1 ATOM 16822 H H . GLU E 1 191 ? 50.089 -4.193 56.966 1.00 11.14 ? 191 GLU E H 1 ATOM 16823 H HA . GLU E 1 191 ? 49.770 -4.170 59.664 1.00 12.20 ? 191 GLU E HA 1 ATOM 16824 H HB2 . GLU E 1 191 ? 51.344 -2.269 58.254 1.00 14.26 ? 191 GLU E HB2 1 ATOM 16825 H HB3 . GLU E 1 191 ? 51.022 -2.197 59.806 1.00 14.26 ? 191 GLU E HB3 1 ATOM 16826 H HG2 . GLU E 1 191 ? 52.377 -3.963 60.238 1.00 19.00 ? 191 GLU E HG2 1 ATOM 16827 H HG3 . GLU E 1 191 ? 52.555 -4.268 58.690 1.00 19.00 ? 191 GLU E HG3 1 ATOM 16828 N N . ILE E 1 192 ? 47.734 -2.806 59.348 1.00 9.03 ? 192 ILE E N 1 ATOM 16829 C CA . ILE E 1 192 ? 46.621 -1.864 59.250 1.00 8.11 ? 192 ILE E CA 1 ATOM 16830 C C . ILE E 1 192 ? 47.002 -0.567 59.938 1.00 8.60 ? 192 ILE E C 1 ATOM 16831 O O . ILE E 1 192 ? 47.520 -0.578 61.081 1.00 10.23 ? 192 ILE E O 1 ATOM 16832 C CB . ILE E 1 192 ? 45.317 -2.436 59.836 1.00 8.62 ? 192 ILE E CB 1 ATOM 16833 C CG1 . ILE E 1 192 ? 44.765 -3.526 58.874 1.00 10.02 ? 192 ILE E CG1 1 ATOM 16834 C CG2 . ILE E 1 192 ? 44.312 -1.321 60.096 1.00 9.11 ? 192 ILE E CG2 1 ATOM 16835 C CD1 . ILE E 1 192 ? 43.634 -4.328 59.442 1.00 12.43 ? 192 ILE E CD1 1 ATOM 16836 H H . ILE E 1 192 ? 47.645 -3.377 59.986 1.00 10.82 ? 192 ILE E H 1 ATOM 16837 H HA . ILE E 1 192 ? 46.460 -1.664 58.304 1.00 9.72 ? 192 ILE E HA 1 ATOM 16838 H HB . ILE E 1 192 ? 45.526 -2.858 60.684 1.00 10.33 ? 192 ILE E HB 1 ATOM 16839 H HG12 . ILE E 1 192 ? 44.445 -3.095 58.066 1.00 12.01 ? 192 ILE E HG12 1 ATOM 16840 H HG13 . ILE E 1 192 ? 45.483 -4.140 58.656 1.00 12.01 ? 192 ILE E HG13 1 ATOM 16841 H HG21 . ILE E 1 192 ? 43.510 -1.702 60.460 1.00 10.92 ? 192 ILE E HG21 1 ATOM 16842 H HG22 . ILE E 1 192 ? 44.691 -0.698 60.720 1.00 10.92 ? 192 ILE E HG22 1 ATOM 16843 H HG23 . ILE E 1 192 ? 44.117 -0.877 59.267 1.00 10.92 ? 192 ILE E HG23 1 ATOM 16844 H HD11 . ILE E 1 192 ? 43.352 -4.975 58.791 1.00 14.90 ? 192 ILE E HD11 1 ATOM 16845 H HD12 . ILE E 1 192 ? 43.935 -4.774 60.237 1.00 14.90 ? 192 ILE E HD12 1 ATOM 16846 H HD13 . ILE E 1 192 ? 42.907 -3.737 59.653 1.00 14.90 ? 192 ILE E HD13 1 ATOM 16847 N N . ARG E 1 193 ? 46.741 0.553 59.268 1.00 9.01 ? 193 ARG E N 1 ATOM 16848 C CA . ARG E 1 193 ? 46.961 1.879 59.826 1.00 9.68 ? 193 ARG E CA 1 ATOM 16849 C C . ARG E 1 193 ? 45.664 2.657 59.647 1.00 9.88 ? 193 ARG E C 1 ATOM 16850 O O . ARG E 1 193 ? 45.136 2.834 58.536 1.00 10.94 ? 193 ARG E O 1 ATOM 16851 C CB . ARG E 1 193 ? 48.155 2.568 59.141 1.00 11.47 ? 193 ARG E CB 1 ATOM 16852 C CG . ARG E 1 193 ? 49.485 1.860 59.404 1.00 11.63 ? 193 ARG E CG 1 ATOM 16853 C CD . ARG E 1 193 ? 49.920 2.032 60.864 1.00 15.21 ? 193 ARG E CD 1 ATOM 16854 N NE . ARG E 1 193 ? 51.193 1.353 61.148 1.00 17.32 ? 193 ARG E NE 1 ATOM 16855 C CZ . ARG E 1 193 ? 51.287 0.136 61.675 1.00 15.73 ? 193 ARG E CZ 1 ATOM 16856 N NH1 . ARG E 1 193 ? 50.210 -0.564 61.975 1.00 18.04 ? 193 ARG E NH1 1 ATOM 16857 N NH2 . ARG E 1 193 ? 52.483 -0.410 61.894 1.00 21.72 ? 193 ARG E NH2 1 ATOM 16858 H H . ARG E 1 193 ? 46.427 0.567 58.467 1.00 10.80 ? 193 ARG E H 1 ATOM 16859 H HA . ARG E 1 193 ? 47.151 1.805 60.785 1.00 11.61 ? 193 ARG E HA 1 ATOM 16860 H HB2 . ARG E 1 193 ? 48.006 2.578 58.182 1.00 13.75 ? 193 ARG E HB2 1 ATOM 16861 H HB3 . ARG E 1 193 ? 48.229 3.476 59.474 1.00 13.75 ? 193 ARG E HB3 1 ATOM 16862 H HG2 . ARG E 1 193 ? 49.385 0.912 59.225 1.00 13.95 ? 193 ARG E HG2 1 ATOM 16863 H HG3 . ARG E 1 193 ? 50.170 2.240 58.834 1.00 13.95 ? 193 ARG E HG3 1 ATOM 16864 H HD2 . ARG E 1 193 ? 50.034 2.977 61.053 1.00 18.24 ? 193 ARG E HD2 1 ATOM 16865 H HD3 . ARG E 1 193 ? 49.241 1.655 61.445 1.00 18.24 ? 193 ARG E HD3 1 ATOM 16866 H HE . ARG E 1 193 ? 52.013 1.797 60.882 1.00 20.77 ? 193 ARG E HE 1 ATOM 16867 H HH11 . ARG E 1 193 ? 49.429 -0.231 61.839 1.00 21.63 ? 193 ARG E HH11 1 ATOM 16868 H HH12 . ARG E 1 193 ? 50.289 -1.350 62.314 1.00 21.63 ? 193 ARG E HH12 1 ATOM 16869 H HH21 . ARG E 1 193 ? 53.197 0.030 61.704 1.00 26.06 ? 193 ARG E HH21 1 ATOM 16870 H HH22 . ARG E 1 193 ? 52.540 -1.198 62.234 1.00 26.06 ? 193 ARG E HH22 1 ATOM 16871 N N . GLY E 1 194 ? 45.103 3.109 60.752 1.00 9.58 ? 194 GLY E N 1 ATOM 16872 C CA . GLY E 1 194 ? 43.888 3.870 60.703 1.00 8.44 ? 194 GLY E CA 1 ATOM 16873 C C . GLY E 1 194 ? 42.666 2.974 60.553 1.00 7.26 ? 194 GLY E C 1 ATOM 16874 O O . GLY E 1 194 ? 42.632 1.820 61.068 1.00 10.05 ? 194 GLY E O 1 ATOM 16875 H H . GLY E 1 194 ? 45.413 2.984 61.545 1.00 11.48 ? 194 GLY E H 1 ATOM 16876 H HA2 . GLY E 1 194 ? 43.795 4.386 61.519 1.00 10.12 ? 194 GLY E HA2 1 ATOM 16877 H HA3 . GLY E 1 194 ? 43.917 4.482 59.951 1.00 10.12 ? 194 GLY E HA3 1 ATOM 16878 N N . TYR E 1 195 ? 41.660 3.507 59.875 1.00 6.63 ? 195 TYR E N 1 ATOM 16879 C CA . TYR E 1 195 ? 40.352 2.832 59.817 1.00 6.66 ? 195 TYR E CA 1 ATOM 16880 C C . TYR E 1 195 ? 40.248 1.878 58.637 1.00 7.43 ? 195 TYR E C 1 ATOM 16881 O O . TYR E 1 195 ? 39.862 2.270 57.542 1.00 8.00 ? 195 TYR E O 1 ATOM 16882 C CB . TYR E 1 195 ? 39.247 3.872 59.739 1.00 8.53 ? 195 TYR E CB 1 ATOM 16883 C CG . TYR E 1 195 ? 37.824 3.369 59.900 1.00 7.98 ? 195 TYR E CG 1 ATOM 16884 C CD1 . TYR E 1 195 ? 37.536 2.270 60.685 1.00 8.29 ? 195 TYR E CD1 1 ATOM 16885 C CD2 . TYR E 1 195 ? 36.768 4.065 59.341 1.00 8.49 ? 195 TYR E CD2 1 ATOM 16886 C CE1 . TYR E 1 195 ? 36.216 1.862 60.877 1.00 8.53 ? 195 TYR E CE1 1 ATOM 16887 C CE2 . TYR E 1 195 ? 35.470 3.667 59.520 1.00 8.56 ? 195 TYR E CE2 1 ATOM 16888 C CZ . TYR E 1 195 ? 35.187 2.573 60.288 1.00 8.92 ? 195 TYR E CZ 1 ATOM 16889 O OH . TYR E 1 195 ? 33.847 2.203 60.455 1.00 9.14 ? 195 TYR E OH 1 ATOM 16890 H H . TYR E 1 195 ? 41.697 4.249 59.441 1.00 7.95 ? 195 TYR E H 1 ATOM 16891 H HA . TYR E 1 195 ? 40.223 2.313 60.639 1.00 7.98 ? 195 TYR E HA 1 ATOM 16892 H HB2 . TYR E 1 195 ? 39.400 4.528 60.437 1.00 10.23 ? 195 TYR E HB2 1 ATOM 16893 H HB3 . TYR E 1 195 ? 39.302 4.306 58.873 1.00 10.23 ? 195 TYR E HB3 1 ATOM 16894 H HD1 . TYR E 1 195 ? 38.228 1.800 61.091 1.00 9.94 ? 195 TYR E HD1 1 ATOM 16895 H HD2 . TYR E 1 195 ? 36.943 4.819 58.827 1.00 10.17 ? 195 TYR E HD2 1 ATOM 16896 H HE1 . TYR E 1 195 ? 36.029 1.113 61.397 1.00 10.22 ? 195 TYR E HE1 1 ATOM 16897 H HE2 . TYR E 1 195 ? 34.779 4.148 59.125 1.00 10.26 ? 195 TYR E HE2 1 ATOM 16898 H HH . TYR E 1 195 ? 33.648 2.223 61.251 1.00 10.95 ? 195 TYR E HH 1 ATOM 16899 N N . VAL E 1 196 ? 40.652 0.637 58.882 1.00 7.59 ? 196 VAL E N 1 ATOM 16900 C CA . VAL E 1 196 ? 40.551 -0.432 57.889 1.00 6.32 ? 196 VAL E CA 1 ATOM 16901 C C . VAL E 1 196 ? 40.061 -1.635 58.667 1.00 8.22 ? 196 VAL E C 1 ATOM 16902 O O . VAL E 1 196 ? 40.599 -1.940 59.733 1.00 9.00 ? 196 VAL E O 1 ATOM 16903 C CB . VAL E 1 196 ? 41.894 -0.797 57.227 1.00 8.56 ? 196 VAL E CB 1 ATOM 16904 C CG1 . VAL E 1 196 ? 41.667 -1.818 56.103 1.00 8.71 ? 196 VAL E CG1 1 ATOM 16905 C CG2 . VAL E 1 196 ? 42.607 0.472 56.688 1.00 9.42 ? 196 VAL E CG2 1 ATOM 16906 H H . VAL E 1 196 ? 40.994 0.382 59.629 1.00 9.09 ? 196 VAL E H 1 ATOM 16907 H HA . VAL E 1 196 ? 39.896 -0.200 57.198 1.00 7.57 ? 196 VAL E HA 1 ATOM 16908 H HB . VAL E 1 196 ? 42.477 -1.211 57.897 1.00 10.26 ? 196 VAL E HB 1 ATOM 16909 H HG11 . VAL E 1 196 ? 42.512 -2.034 55.702 1.00 10.43 ? 196 VAL E HG11 1 ATOM 16910 H HG12 . VAL E 1 196 ? 41.269 -2.608 56.475 1.00 10.43 ? 196 VAL E HG12 1 ATOM 16911 H HG13 . VAL E 1 196 ? 41.081 -1.434 55.446 1.00 10.43 ? 196 VAL E HG13 1 ATOM 16912 H HG21 . VAL E 1 196 ? 43.438 0.213 56.283 1.00 11.29 ? 196 VAL E HG21 1 ATOM 16913 H HG22 . VAL E 1 196 ? 42.043 0.895 56.038 1.00 11.29 ? 196 VAL E HG22 1 ATOM 16914 H HG23 . VAL E 1 196 ? 42.772 1.071 57.420 1.00 11.29 ? 196 VAL E HG23 1 ATOM 16915 N N . ILE E 1 197 ? 38.987 -2.267 58.184 1.00 7.29 ? 197 ILE E N 1 ATOM 16916 C CA . ILE E 1 197 ? 38.335 -3.354 58.903 1.00 7.80 ? 197 ILE E CA 1 ATOM 16917 C C . ILE E 1 197 ? 38.386 -4.618 58.037 1.00 7.17 ? 197 ILE E C 1 ATOM 16918 O O . ILE E 1 197 ? 38.100 -4.560 56.842 1.00 8.87 ? 197 ILE E O 1 ATOM 16919 C CB . ILE E 1 197 ? 36.873 -3.015 59.186 1.00 7.16 ? 197 ILE E CB 1 ATOM 16920 C CG1 . ILE E 1 197 ? 36.701 -1.697 59.967 1.00 8.44 ? 197 ILE E CG1 1 ATOM 16921 C CG2 . ILE E 1 197 ? 36.174 -4.205 59.903 1.00 10.64 ? 197 ILE E CG2 1 ATOM 16922 C CD1 . ILE E 1 197 ? 37.266 -1.754 61.418 1.00 10.42 ? 197 ILE E CD1 1 ATOM 16923 H H . ILE E 1 197 ? 38.616 -2.079 57.431 1.00 8.73 ? 197 ILE E H 1 ATOM 16924 H HA . ILE E 1 197 ? 38.797 -3.524 59.750 1.00 9.34 ? 197 ILE E HA 1 ATOM 16925 H HB . ILE E 1 197 ? 36.434 -2.899 58.329 1.00 8.58 ? 197 ILE E HB 1 ATOM 16926 H HG12 . ILE E 1 197 ? 37.167 -0.990 59.494 1.00 10.11 ? 197 ILE E HG12 1 ATOM 16927 H HG13 . ILE E 1 197 ? 35.756 -1.488 60.024 1.00 10.11 ? 197 ILE E HG13 1 ATOM 16928 H HG21 . ILE E 1 197 ? 35.258 -3.972 60.072 1.00 12.76 ? 197 ILE E HG21 1 ATOM 16929 H HG22 . ILE E 1 197 ? 36.217 -4.979 59.337 1.00 12.76 ? 197 ILE E HG22 1 ATOM 16930 H HG23 . ILE E 1 197 ? 36.626 -4.379 60.732 1.00 12.76 ? 197 ILE E HG23 1 ATOM 16931 H HD11 . ILE E 1 197 ? 37.125 -0.903 61.841 1.00 12.49 ? 197 ILE E HD11 1 ATOM 16932 H HD12 . ILE E 1 197 ? 36.807 -2.442 61.905 1.00 12.49 ? 197 ILE E HD12 1 ATOM 16933 H HD13 . ILE E 1 197 ? 38.205 -1.949 61.380 1.00 12.49 ? 197 ILE E HD13 1 ATOM 16934 N N . ILE E 1 198 ? 38.721 -5.757 58.618 1.00 8.84 ? 198 ILE E N 1 ATOM 16935 C CA . ILE E 1 198 ? 38.681 -7.019 57.887 1.00 7.38 ? 198 ILE E CA 1 ATOM 16936 C C . ILE E 1 198 ? 37.303 -7.660 58.062 1.00 7.08 ? 198 ILE E C 1 ATOM 16937 O O . ILE E 1 198 ? 36.813 -7.751 59.182 1.00 9.55 ? 198 ILE E O 1 ATOM 16938 C CB . ILE E 1 198 ? 39.773 -7.983 58.380 1.00 9.50 ? 198 ILE E CB 1 ATOM 16939 C CG1 . ILE E 1 198 ? 41.144 -7.407 58.069 1.00 9.89 ? 198 ILE E CG1 1 ATOM 16940 C CG2 . ILE E 1 198 ? 39.556 -9.392 57.743 1.00 10.80 ? 198 ILE E CG2 1 ATOM 16941 C CD1 . ILE E 1 198 ? 42.293 -8.198 58.721 1.00 12.14 ? 198 ILE E CD1 1 ATOM 16942 H H . ILE E 1 198 ? 38.977 -5.831 59.436 1.00 10.60 ? 198 ILE E H 1 ATOM 16943 H HA . ILE E 1 198 ? 38.825 -6.849 56.933 1.00 8.84 ? 198 ILE E HA 1 ATOM 16944 H HB . ILE E 1 198 ? 39.691 -8.070 59.343 1.00 11.39 ? 198 ILE E HB 1 ATOM 16945 H HG12 . ILE E 1 198 ? 41.280 -7.419 57.109 1.00 11.85 ? 198 ILE E HG12 1 ATOM 16946 H HG13 . ILE E 1 198 ? 41.184 -6.496 58.398 1.00 11.85 ? 198 ILE E HG13 1 ATOM 16947 H HG21 . ILE E 1 198 ? 40.242 -9.986 58.056 1.00 12.95 ? 198 ILE E HG21 1 ATOM 16948 H HG22 . ILE E 1 198 ? 38.693 -9.722 58.003 1.00 12.95 ? 198 ILE E HG22 1 ATOM 16949 H HG23 . ILE E 1 198 ? 39.602 -9.313 56.787 1.00 12.95 ? 198 ILE E HG23 1 ATOM 16950 H HD11 . ILE E 1 198 ? 43.127 -7.785 58.487 1.00 14.56 ? 198 ILE E HD11 1 ATOM 16951 H HD12 . ILE E 1 198 ? 42.177 -8.188 59.674 1.00 14.56 ? 198 ILE E HD12 1 ATOM 16952 H HD13 . ILE E 1 198 ? 42.272 -9.102 58.398 1.00 14.56 ? 198 ILE E HD13 1 ATOM 16953 N N . LYS E 1 199 ? 36.648 -7.998 56.944 1.00 6.91 ? 199 LYS E N 1 ATOM 16954 C CA . LYS E 1 199 ? 35.308 -8.564 56.940 1.00 7.40 ? 199 LYS E CA 1 ATOM 16955 C C . LYS E 1 199 ? 35.267 -9.736 55.967 1.00 8.31 ? 199 LYS E C 1 ATOM 16956 O O . LYS E 1 199 ? 36.079 -9.838 55.072 1.00 7.13 ? 199 LYS E O 1 ATOM 16957 C CB . LYS E 1 199 ? 34.272 -7.519 56.482 1.00 7.11 ? 199 LYS E CB 1 ATOM 16958 C CG . LYS E 1 199 ? 33.938 -6.479 57.575 1.00 9.65 ? 199 LYS E CG 1 ATOM 16959 C CD . LYS E 1 199 ? 33.098 -7.114 58.683 1.00 15.88 ? 199 LYS E CD 1 ATOM 16960 C CE . LYS E 1 199 ? 32.680 -6.150 59.768 1.00 16.54 ? 199 LYS E CE 1 ATOM 16961 N NZ . LYS E 1 199 ? 32.108 -7.005 60.852 1.00 24.08 ? 199 LYS E NZ 1 ATOM 16962 H H . LYS E 1 199 ? 36.977 -7.902 56.156 1.00 8.28 ? 199 LYS E H 1 ATOM 16963 H HA . LYS E 1 199 ? 35.072 -8.880 57.837 1.00 8.87 ? 199 LYS E HA 1 ATOM 16964 H HB2 . LYS E 1 199 ? 34.623 -7.043 55.713 1.00 8.52 ? 199 LYS E HB2 1 ATOM 16965 H HB3 . LYS E 1 199 ? 33.450 -7.975 56.242 1.00 8.52 ? 199 LYS E HB3 1 ATOM 16966 H HG2 . LYS E 1 199 ? 34.761 -6.147 57.967 1.00 11.56 ? 199 LYS E HG2 1 ATOM 16967 H HG3 . LYS E 1 199 ? 33.430 -5.751 57.184 1.00 11.56 ? 199 LYS E HG3 1 ATOM 16968 H HD2 . LYS E 1 199 ? 32.292 -7.484 58.290 1.00 19.05 ? 199 LYS E HD2 1 ATOM 16969 H HD3 . LYS E 1 199 ? 33.614 -7.822 59.099 1.00 19.05 ? 199 LYS E HD3 1 ATOM 16970 H HE2 . LYS E 1 199 ? 33.450 -5.668 60.109 1.00 19.83 ? 199 LYS E HE2 1 ATOM 16971 H HE3 . LYS E 1 199 ? 31.997 -5.544 59.440 1.00 19.83 ? 199 LYS E HE3 1 ATOM 16972 H HZ1 . LYS E 1 199 ? 31.818 -6.456 61.584 1.00 28.89 ? 199 LYS E HZ1 1 ATOM 16973 H HZ2 . LYS E 1 199 ? 31.358 -7.501 60.516 1.00 28.89 ? 199 LYS E HZ2 1 ATOM 16974 H HZ3 . LYS E 1 199 ? 32.773 -7.621 61.168 1.00 28.89 ? 199 LYS E HZ3 1 ATOM 16975 N N . PRO E 1 200 ? 34.261 -10.605 56.090 1.00 7.65 ? 200 PRO E N 1 ATOM 16976 C CA . PRO E 1 200 ? 34.074 -11.640 55.086 1.00 7.77 ? 200 PRO E CA 1 ATOM 16977 C C . PRO E 1 200 ? 33.796 -11.035 53.725 1.00 6.70 ? 200 PRO E C 1 ATOM 16978 O O . PRO E 1 200 ? 33.167 -9.972 53.618 1.00 8.33 ? 200 PRO E O 1 ATOM 16979 C CB . PRO E 1 200 ? 32.815 -12.377 55.551 1.00 7.97 ? 200 PRO E CB 1 ATOM 16980 C CG . PRO E 1 200 ? 32.730 -12.096 56.993 1.00 10.27 ? 200 PRO E CG 1 ATOM 16981 C CD . PRO E 1 200 ? 33.279 -10.685 57.183 1.00 10.81 ? 200 PRO E CD 1 ATOM 16982 H HA . PRO E 1 200 ? 34.840 -12.251 55.046 1.00 9.32 ? 200 PRO E HA 1 ATOM 16983 H HB2 . PRO E 1 200 ? 32.039 -12.028 55.086 1.00 9.55 ? 200 PRO E HB2 1 ATOM 16984 H HB3 . PRO E 1 200 ? 32.913 -13.329 55.391 1.00 9.55 ? 200 PRO E HB3 1 ATOM 16985 H HG2 . PRO E 1 200 ? 31.805 -12.143 57.279 1.00 12.31 ? 200 PRO E HG2 1 ATOM 16986 H HG3 . PRO E 1 200 ? 33.269 -12.739 57.480 1.00 12.31 ? 200 PRO E HG3 1 ATOM 16987 H HD2 . PRO E 1 200 ? 32.578 -10.025 57.065 1.00 12.96 ? 200 PRO E HD2 1 ATOM 16988 H HD3 . PRO E 1 200 ? 33.716 -10.599 58.045 1.00 12.96 ? 200 PRO E HD3 1 ATOM 16989 N N . LEU E 1 201 ? 34.257 -11.728 52.689 1.00 6.82 ? 201 LEU E N 1 ATOM 16990 C CA . LEU E 1 201 ? 33.973 -11.423 51.278 1.00 7.28 ? 201 LEU E CA 1 ATOM 16991 C C . LEU E 1 201 ? 32.552 -11.895 50.989 1.00 10.15 ? 201 LEU E C 1 ATOM 16992 O O . LEU E 1 201 ? 32.259 -13.114 51.091 1.00 13.06 ? 201 LEU E O 1 ATOM 16993 C CB . LEU E 1 201 ? 34.976 -12.144 50.362 1.00 8.25 ? 201 LEU E CB 1 ATOM 16994 C CG . LEU E 1 201 ? 34.647 -12.116 48.878 1.00 10.02 ? 201 LEU E CG 1 ATOM 16995 C CD1 . LEU E 1 201 ? 34.735 -10.710 48.362 1.00 9.12 ? 201 LEU E CD1 1 ATOM 16996 C CD2 . LEU E 1 201 ? 35.555 -13.020 48.087 1.00 12.94 ? 201 LEU E CD2 1 ATOM 16997 H H . LEU E 1 201 ? 34.764 -12.416 52.779 1.00 8.17 ? 201 LEU E H 1 ATOM 16998 H HA . LEU E 1 201 ? 34.030 -10.457 51.122 1.00 8.72 ? 201 LEU E HA 1 ATOM 16999 H HB2 . LEU E 1 201 ? 35.846 -11.731 50.474 1.00 9.89 ? 201 LEU E HB2 1 ATOM 17000 H HB3 . LEU E 1 201 ? 35.023 -13.075 50.632 1.00 9.89 ? 201 LEU E HB3 1 ATOM 17001 H HG . LEU E 1 201 ? 33.736 -12.424 48.752 1.00 12.01 ? 201 LEU E HG 1 ATOM 17002 H HD11 . LEU E 1 201 ? 34.525 -10.707 47.426 1.00 10.93 ? 201 LEU E HD11 1 ATOM 17003 H HD12 . LEU E 1 201 ? 34.107 -10.162 48.841 1.00 10.93 ? 201 LEU E HD12 1 ATOM 17004 H HD13 . LEU E 1 201 ? 35.627 -10.382 48.499 1.00 10.93 ? 201 LEU E HD13 1 ATOM 17005 H HD21 . LEU E 1 201 ? 35.312 -12.971 47.160 1.00 15.52 ? 201 LEU E HD21 1 ATOM 17006 H HD22 . LEU E 1 201 ? 36.463 -12.730 48.205 1.00 15.52 ? 201 LEU E HD22 1 ATOM 17007 H HD23 . LEU E 1 201 ? 35.454 -13.920 48.406 1.00 15.52 ? 201 LEU E HD23 1 ATOM 17008 N N . VAL E 1 202 ? 31.643 -10.970 50.679 1.00 7.14 ? 202 VAL E N 1 ATOM 17009 C CA . VAL E 1 202 ? 30.244 -11.386 50.455 1.00 7.87 ? 202 VAL E CA 1 ATOM 17010 C C . VAL E 1 202 ? 29.772 -11.194 49.029 1.00 7.32 ? 202 VAL E C 1 ATOM 17011 O O . VAL E 1 202 ? 28.651 -11.598 48.678 1.00 10.31 ? 202 VAL E O 1 ATOM 17012 C CB . VAL E 1 202 ? 29.240 -10.697 51.418 1.00 7.23 ? 202 VAL E CB 1 ATOM 17013 C CG1 . VAL E 1 202 ? 29.658 -10.909 52.846 1.00 11.51 ? 202 VAL E CG1 1 ATOM 17014 C CG2 . VAL E 1 202 ? 29.093 -9.205 51.111 1.00 9.77 ? 202 VAL E CG2 1 ATOM 17015 H H . VAL E 1 202 ? 31.794 -10.127 50.593 1.00 8.55 ? 202 VAL E H 1 ATOM 17016 H HA . VAL E 1 202 ? 30.192 -12.347 50.638 1.00 9.43 ? 202 VAL E HA 1 ATOM 17017 H HB . VAL E 1 202 ? 28.360 -11.111 51.302 1.00 8.66 ? 202 VAL E HB 1 ATOM 17018 H HG11 . VAL E 1 202 ? 29.025 -10.476 53.424 1.00 13.80 ? 202 VAL E HG11 1 ATOM 17019 H HG12 . VAL E 1 202 ? 29.677 -11.851 53.029 1.00 13.80 ? 202 VAL E HG12 1 ATOM 17020 H HG13 . VAL E 1 202 ? 30.531 -10.533 52.975 1.00 13.80 ? 202 VAL E HG13 1 ATOM 17021 H HG21 . VAL E 1 202 ? 28.466 -8.820 51.727 1.00 11.71 ? 202 VAL E HG21 1 ATOM 17022 H HG22 . VAL E 1 202 ? 29.949 -8.781 51.206 1.00 11.71 ? 202 VAL E HG22 1 ATOM 17023 H HG23 . VAL E 1 202 ? 28.774 -9.102 50.211 1.00 11.71 ? 202 VAL E HG23 1 ATOM 17024 N N . TRP E 1 203 ? 30.614 -10.581 48.208 1.00 7.70 ? 203 TRP E N 1 ATOM 17025 C CA . TRP E 1 203 ? 30.284 -10.271 46.841 1.00 8.83 ? 203 TRP E CA 1 ATOM 17026 C C . TRP E 1 203 ? 31.062 -11.191 45.938 1.00 11.74 ? 203 TRP E C 1 ATOM 17027 O O . TRP E 1 203 ? 31.957 -11.916 46.377 1.00 18.39 ? 203 TRP E O 1 ATOM 17028 C CB . TRP E 1 203 ? 30.570 -8.799 46.575 1.00 10.81 ? 203 TRP E CB 1 ATOM 17029 C CG . TRP E 1 203 ? 31.855 -8.243 47.143 1.00 9.14 ? 203 TRP E CG 1 ATOM 17030 C CD1 . TRP E 1 203 ? 32.023 -7.662 48.351 1.00 8.64 ? 203 TRP E CD1 1 ATOM 17031 C CD2 . TRP E 1 203 ? 33.135 -8.153 46.482 1.00 6.30 ? 203 TRP E CD2 1 ATOM 17032 N NE1 . TRP E 1 203 ? 33.298 -7.229 48.511 1.00 8.69 ? 203 TRP E NE1 1 ATOM 17033 C CE2 . TRP E 1 203 ? 34.013 -7.533 47.381 1.00 6.52 ? 203 TRP E CE2 1 ATOM 17034 C CE3 . TRP E 1 203 ? 33.631 -8.586 45.239 1.00 8.41 ? 203 TRP E CE3 1 ATOM 17035 C CZ2 . TRP E 1 203 ? 35.342 -7.275 47.075 1.00 7.13 ? 203 TRP E CZ2 1 ATOM 17036 C CZ3 . TRP E 1 203 ? 34.947 -8.331 44.925 1.00 8.69 ? 203 TRP E CZ3 1 ATOM 17037 C CH2 . TRP E 1 203 ? 35.791 -7.680 45.845 1.00 8.76 ? 203 TRP E CH2 1 ATOM 17038 H H . TRP E 1 203 ? 31.405 -10.330 48.434 1.00 9.23 ? 203 TRP E H 1 ATOM 17039 H HA . TRP E 1 203 ? 29.328 -10.430 46.694 1.00 10.58 ? 203 TRP E HA 1 ATOM 17040 H HB2 . TRP E 1 203 ? 30.600 -8.666 45.615 1.00 12.97 ? 203 TRP E HB2 1 ATOM 17041 H HB3 . TRP E 1 203 ? 29.842 -8.278 46.947 1.00 12.97 ? 203 TRP E HB3 1 ATOM 17042 H HD1 . TRP E 1 203 ? 31.350 -7.564 48.986 1.00 10.36 ? 203 TRP E HD1 1 ATOM 17043 H HE1 . TRP E 1 203 ? 33.610 -6.839 49.211 1.00 10.41 ? 203 TRP E HE1 1 ATOM 17044 H HE3 . TRP E 1 203 ? 33.066 -8.986 44.618 1.00 10.08 ? 203 TRP E HE3 1 ATOM 17045 H HZ2 . TRP E 1 203 ? 35.908 -6.863 47.687 1.00 8.55 ? 203 TRP E HZ2 1 ATOM 17046 H HZ3 . TRP E 1 203 ? 35.283 -8.596 44.099 1.00 10.42 ? 203 TRP E HZ3 1 ATOM 17047 H HH2 . TRP E 1 203 ? 36.684 -7.545 45.623 1.00 10.50 ? 203 TRP E HH2 1 ATOM 17048 N N . VAL E 1 204 ? 30.739 -11.212 44.665 1.00 20.80 ? 204 VAL E N 1 ATOM 17049 C CA . VAL E 1 204 ? 31.334 -12.327 43.919 1.00 31.85 ? 204 VAL E CA 1 ATOM 17050 C C . VAL E 1 204 ? 32.744 -11.980 43.406 1.00 47.96 ? 204 VAL E C 1 ATOM 17051 O O . VAL E 1 204 ? 33.760 -12.301 44.079 1.00 43.71 ? 204 VAL E O 1 ATOM 17052 C CB . VAL E 1 204 ? 30.375 -12.896 42.848 1.00 44.94 ? 204 VAL E CB 1 ATOM 17053 C CG1 . VAL E 1 204 ? 31.085 -13.915 41.957 1.00 43.43 ? 204 VAL E CG1 1 ATOM 17054 C CG2 . VAL E 1 204 ? 29.191 -13.549 43.545 1.00 44.02 ? 204 VAL E CG2 1 ATOM 17055 O OXT . VAL E 1 204 ? 32.893 -11.359 42.352 1.00 35.24 ? 204 VAL E OXT 1 ATOM 17056 H H . VAL E 1 204 ? 30.235 -10.664 44.235 1.00 24.95 ? 204 VAL E H 1 ATOM 17057 H HA . VAL E 1 204 ? 31.464 -13.054 44.563 1.00 38.21 ? 204 VAL E HA 1 ATOM 17058 H HB . VAL E 1 204 ? 30.042 -12.167 42.284 1.00 53.92 ? 204 VAL E HB 1 ATOM 17059 H HG11 . VAL E 1 204 ? 30.463 -14.247 41.306 1.00 52.11 ? 204 VAL E HG11 1 ATOM 17060 H HG12 . VAL E 1 204 ? 31.822 -13.484 41.517 1.00 52.11 ? 204 VAL E HG12 1 ATOM 17061 H HG13 . VAL E 1 204 ? 31.405 -14.637 42.503 1.00 52.11 ? 204 VAL E HG13 1 ATOM 17062 H HG21 . VAL E 1 204 ? 28.595 -13.904 42.882 1.00 52.81 ? 204 VAL E HG21 1 ATOM 17063 H HG22 . VAL E 1 204 ? 29.512 -14.257 44.109 1.00 52.81 ? 204 VAL E HG22 1 ATOM 17064 H HG23 . VAL E 1 204 ? 28.738 -12.889 44.075 1.00 52.81 ? 204 VAL E HG23 1 HETATM 17065 C CA . OPE F 2 . ? 17.695 14.194 56.252 1.00 24.40 ? 700 OPE A CA 1 HETATM 17066 C CB . OPE F 2 . ? 18.006 13.620 54.894 1.00 20.12 ? 700 OPE A CB 1 HETATM 17067 O O1 . OPE F 2 . ? 15.483 17.288 56.838 1.00 23.25 ? 700 OPE A O1 1 HETATM 17068 O O2 . OPE F 2 . ? 17.973 17.348 57.268 1.00 29.69 ? 700 OPE A O2 1 HETATM 17069 O O3 . OPE F 2 . ? 16.561 15.696 58.548 1.00 19.00 ? 700 OPE A O3 1 HETATM 17070 O O4 . OPE F 2 . ? 16.968 15.358 55.994 1.00 26.41 ? 700 OPE A O4 1 HETATM 17071 N N . OPE F 2 . ? 18.816 14.611 54.152 1.00 28.04 ? 700 OPE A N 1 HETATM 17072 P P . OPE F 2 . ? 16.690 16.359 57.242 1.00 24.46 ? 700 OPE A P 1 HETATM 17073 CA CA . CA G 3 . ? 13.302 16.860 57.480 1.00 19.33 ? 205 CA A CA 1 HETATM 17074 C C1 . NAG H 4 . ? 27.163 -7.151 67.914 1.00 29.30 ? 207 NAG A C1 1 HETATM 17075 C C2 . NAG H 4 . ? 27.199 -7.977 69.198 1.00 39.08 ? 207 NAG A C2 1 HETATM 17076 C C3 . NAG H 4 . ? 28.517 -8.728 69.370 1.00 47.29 ? 207 NAG A C3 1 HETATM 17077 C C4 . NAG H 4 . ? 28.809 -9.550 68.122 1.00 51.65 ? 207 NAG A C4 1 HETATM 17078 C C5 . NAG H 4 . ? 28.714 -8.657 66.886 1.00 48.16 ? 207 NAG A C5 1 HETATM 17079 C C6 . NAG H 4 . ? 28.890 -9.454 65.597 1.00 44.29 ? 207 NAG A C6 1 HETATM 17080 C C7 . NAG H 4 . ? 25.856 -7.123 71.001 1.00 40.51 ? 207 NAG A C7 1 HETATM 17081 C C8 . NAG H 4 . ? 25.681 -6.021 71.992 1.00 54.00 ? 207 NAG A C8 1 HETATM 17082 N N2 . NAG H 4 . ? 26.981 -7.101 70.311 1.00 35.11 ? 207 NAG A N2 1 HETATM 17083 O O3 . NAG H 4 . ? 28.416 -9.554 70.499 1.00 39.42 ? 207 NAG A O3 1 HETATM 17084 O O4 . NAG H 4 . ? 30.103 -10.130 68.195 1.00 65.38 ? 207 NAG A O4 1 HETATM 17085 O O5 . NAG H 4 . ? 27.453 -8.003 66.811 1.00 40.27 ? 207 NAG A O5 1 HETATM 17086 O O6 . NAG H 4 . ? 30.264 -9.477 65.250 1.00 61.13 ? 207 NAG A O6 1 HETATM 17087 O O7 . NAG H 4 . ? 24.979 -7.981 70.878 1.00 37.25 ? 207 NAG A O7 1 HETATM 17088 H H2 . NAG H 4 . ? 26.386 -8.702 69.163 1.00 46.88 ? 207 NAG A H2 1 HETATM 17089 H H3 . NAG H 4 . ? 29.311 -7.997 69.525 1.00 56.74 ? 207 NAG A H3 1 HETATM 17090 H H4 . NAG H 4 . ? 28.060 -10.339 68.048 1.00 61.97 ? 207 NAG A H4 1 HETATM 17091 H H5 . NAG H 4 . ? 29.507 -7.912 66.940 1.00 57.78 ? 207 NAG A H5 1 HETATM 17092 H H61 . NAG H 4 . ? 28.288 -9.005 64.807 1.00 53.13 ? 207 NAG A H61 1 HETATM 17093 H H62 . NAG H 4 . ? 28.537 -10.474 65.749 1.00 53.13 ? 207 NAG A H62 1 HETATM 17094 H H81 . NAG H 4 . ? 25.574 -6.445 72.991 1.00 64.79 ? 207 NAG A H81 1 HETATM 17095 H H82 . NAG H 4 . ? 24.789 -5.447 71.743 1.00 64.79 ? 207 NAG A H82 1 HETATM 17096 H H83 . NAG H 4 . ? 26.553 -5.368 71.966 1.00 64.79 ? 207 NAG A H83 1 HETATM 17097 H HN2 . NAG H 4 . ? 27.715 -6.455 70.564 1.00 42.12 ? 207 NAG A HN2 1 HETATM 17098 H HO3 . NAG H 4 . ? 27.529 -9.449 70.902 1.00 47.29 ? 207 NAG A HO3 1 HETATM 17099 H HO4 . NAG H 4 . ? 30.529 -9.873 69.039 1.00 78.44 ? 207 NAG A HO4 1 HETATM 17100 H HO6 . NAG H 4 . ? 30.778 -8.977 65.918 1.00 73.35 ? 207 NAG A HO6 1 HETATM 17101 CA CA . CA I 3 . ? 15.194 14.710 60.168 1.00 19.28 ? 206 CA A CA 1 HETATM 17102 C CA . OPE J 2 . ? -7.462 17.033 30.955 1.00 12.06 ? 1700 OPE B CA 1 HETATM 17103 C CB . OPE J 2 . ? -6.116 16.326 30.882 1.00 10.67 ? 1700 OPE B CB 1 HETATM 17104 O O1 . OPE J 2 . ? -9.893 18.582 30.426 1.00 9.12 ? 1700 OPE B O1 1 HETATM 17105 O O2 . OPE J 2 . ? -8.574 19.703 28.602 1.00 9.78 ? 1700 OPE B O2 1 HETATM 17106 O O3 . OPE J 2 . ? -8.087 20.229 31.023 1.00 13.87 ? 1700 OPE B O3 1 HETATM 17107 O O4 . OPE J 2 . ? -7.472 18.015 29.921 1.00 10.86 ? 1700 OPE B O4 1 HETATM 17108 N N . OPE J 2 . ? -5.016 17.282 31.123 1.00 14.73 ? 1700 OPE B N 1 HETATM 17109 P P . OPE J 2 . ? -8.600 19.186 30.015 1.00 10.95 ? 1700 OPE B P 1 HETATM 17110 CA CA . CA K 3 . ? -11.888 17.672 29.680 1.00 7.83 ? 205 CA B CA 1 HETATM 17111 C C1 . NAG L 4 . ? -16.361 -2.008 46.249 1.00 19.72 ? 207 NAG B C1 1 HETATM 17112 C C2 . NAG L 4 . ? -17.605 -2.697 46.795 1.00 23.63 ? 207 NAG B C2 1 HETATM 17113 C C3 . NAG L 4 . ? -17.283 -3.403 48.120 1.00 38.46 ? 207 NAG B C3 1 HETATM 17114 C C4 . NAG L 4 . ? -16.085 -4.343 47.968 1.00 41.34 ? 207 NAG B C4 1 HETATM 17115 C C5 . NAG L 4 . ? -14.917 -3.607 47.333 1.00 40.99 ? 207 NAG B C5 1 HETATM 17116 C C6 . NAG L 4 . ? -13.781 -4.574 47.020 1.00 42.33 ? 207 NAG B C6 1 HETATM 17117 C C7 . NAG L 4 . ? -19.819 -1.675 46.346 1.00 32.04 ? 207 NAG B C7 1 HETATM 17118 C C8 . NAG L 4 . ? -20.233 -2.817 45.466 1.00 27.98 ? 207 NAG B C8 1 HETATM 17119 N N2 . NAG L 4 . ? -18.665 -1.725 46.999 1.00 23.09 ? 207 NAG B N2 1 HETATM 17120 O O3 . NAG L 4 . ? -18.409 -4.117 48.585 1.00 33.55 ? 207 NAG B O3 1 HETATM 17121 O O4 . NAG L 4 . ? -15.643 -4.871 49.213 1.00 47.88 ? 207 NAG B O4 1 HETATM 17122 O O5 . NAG L 4 . ? -15.328 -2.990 46.115 1.00 25.79 ? 207 NAG B O5 1 HETATM 17123 O O6 . NAG L 4 . ? -12.842 -3.884 46.229 1.00 48.03 ? 207 NAG B O6 1 HETATM 17124 O O7 . NAG L 4 . ? -20.582 -0.712 46.461 1.00 45.34 ? 207 NAG B O7 1 HETATM 17125 H H2 . NAG L 4 . ? -17.942 -3.429 46.061 1.00 28.34 ? 207 NAG B H2 1 HETATM 17126 H H3 . NAG L 4 . ? -17.005 -2.646 48.854 1.00 46.13 ? 207 NAG B H3 1 HETATM 17127 H H4 . NAG L 4 . ? -16.373 -5.162 47.308 1.00 49.60 ? 207 NAG B H4 1 HETATM 17128 H H5 . NAG L 4 . ? -14.551 -2.867 48.044 1.00 49.18 ? 207 NAG B H5 1 HETATM 17129 H H61 . NAG L 4 . ? -14.183 -5.459 46.528 1.00 50.79 ? 207 NAG B H61 1 HETATM 17130 H H62 . NAG L 4 . ? -13.309 -4.892 47.949 1.00 50.79 ? 207 NAG B H62 1 HETATM 17131 H H81 . NAG L 4 . ? -20.359 -2.461 44.444 1.00 33.56 ? 207 NAG B H81 1 HETATM 17132 H H82 . NAG L 4 . ? -21.175 -3.230 45.826 1.00 33.56 ? 207 NAG B H82 1 HETATM 17133 H H83 . NAG L 4 . ? -19.465 -3.591 45.489 1.00 33.56 ? 207 NAG B H83 1 HETATM 17134 H HN2 . NAG L 4 . ? -18.497 -1.025 47.708 1.00 27.69 ? 207 NAG B HN2 1 HETATM 17135 H HO3 . NAG L 4 . ? -19.151 -4.003 47.955 1.00 40.25 ? 207 NAG B HO3 1 HETATM 17136 H HO4 . NAG L 4 . ? -16.206 -4.520 49.934 1.00 57.44 ? 207 NAG B HO4 1 HETATM 17137 H HO6 . NAG L 4 . ? -13.152 -2.966 46.080 1.00 57.62 ? 207 NAG B HO6 1 HETATM 17138 CA CA . CA M 3 . ? -9.869 19.292 26.764 1.00 8.15 ? 206 CA B CA 1 HETATM 17139 C CA . OPE N 2 . ? 8.665 14.248 -0.987 1.00 12.51 ? 2700 OPE C CA 1 HETATM 17140 C CB . OPE N 2 . ? 9.181 13.693 0.336 1.00 12.59 ? 2700 OPE C CB 1 HETATM 17141 O O1 . OPE N 2 . ? 8.584 15.474 -3.671 1.00 10.85 ? 2700 OPE C O1 1 HETATM 17142 O O2 . OPE N 2 . ? 10.826 16.574 -3.104 1.00 12.07 ? 2700 OPE C O2 1 HETATM 17143 O O3 . OPE N 2 . ? 8.674 17.352 -2.052 1.00 14.92 ? 2700 OPE C O3 1 HETATM 17144 O O4 . OPE N 2 . ? 9.723 15.146 -1.395 1.00 12.51 ? 2700 OPE C O4 1 HETATM 17145 N N . OPE N 2 . ? 9.325 14.799 1.334 1.00 16.94 ? 2700 OPE C N 1 HETATM 17146 P P . OPE N 2 . ? 9.452 16.157 -2.636 1.00 12.45 ? 2700 OPE C P 1 HETATM 17147 CA CA . CA O 3 . ? 12.117 15.768 -4.881 1.00 10.90 ? 205 CA C CA 1 HETATM 17148 CA CA . CA P 3 . ? 8.601 14.266 -5.664 1.00 9.76 ? 206 CA C CA 1 HETATM 17149 C C1 . NAG Q 4 . ? -10.271 -3.083 -3.196 1.00 21.97 ? 207 NAG C C1 1 HETATM 17150 C C2 . NAG Q 4 . ? -11.026 -3.847 -4.285 1.00 23.96 ? 207 NAG C C2 1 HETATM 17151 C C3 . NAG Q 4 . ? -12.534 -3.862 -4.038 1.00 30.45 ? 207 NAG C C3 1 HETATM 17152 C C4 . NAG Q 4 . ? -12.839 -4.279 -2.613 1.00 34.84 ? 207 NAG C C4 1 HETATM 17153 C C5 . NAG Q 4 . ? -12.024 -3.404 -1.662 1.00 37.68 ? 207 NAG C C5 1 HETATM 17154 C C6 . NAG Q 4 . ? -12.289 -3.748 -0.203 1.00 39.08 ? 207 NAG C C6 1 HETATM 17155 C C7 . NAG Q 4 . ? -10.379 -3.868 -6.655 1.00 30.83 ? 207 NAG C C7 1 HETATM 17156 C C8 . NAG Q 4 . ? -10.094 -5.334 -6.571 1.00 22.58 ? 207 NAG C C8 1 HETATM 17157 N N2 . NAG Q 4 . ? -10.762 -3.212 -5.559 1.00 23.94 ? 207 NAG C N2 1 HETATM 17158 O O3 . NAG Q 4 . ? -13.158 -4.736 -4.952 1.00 32.33 ? 207 NAG C O3 1 HETATM 17159 O O4 . NAG Q 4 . ? -14.229 -4.136 -2.336 1.00 36.88 ? 207 NAG C O4 1 HETATM 17160 O O5 . NAG Q 4 . ? -10.640 -3.593 -1.927 1.00 22.45 ? 207 NAG C O5 1 HETATM 17161 O O6 . NAG Q 4 . ? -11.792 -5.051 0.054 1.00 38.31 ? 207 NAG C O6 1 HETATM 17162 O O7 . NAG Q 4 . ? -10.252 -3.303 -7.747 1.00 43.27 ? 207 NAG C O7 1 HETATM 17163 H H2 . NAG Q 4 . ? -10.641 -4.866 -4.319 1.00 28.74 ? 207 NAG C H2 1 HETATM 17164 H H3 . NAG Q 4 . ? -12.915 -2.851 -4.184 1.00 36.52 ? 207 NAG C H3 1 HETATM 17165 H H4 . NAG Q 4 . ? -12.549 -5.322 -2.491 1.00 41.80 ? 207 NAG C H4 1 HETATM 17166 H H5 . NAG Q 4 . ? -12.306 -2.364 -1.827 1.00 45.21 ? 207 NAG C H5 1 HETATM 17167 H H61 . NAG Q 4 . ? -13.358 -3.674 -0.001 1.00 46.89 ? 207 NAG C H61 1 HETATM 17168 H H62 . NAG Q 4 . ? -11.776 -3.031 0.438 1.00 46.89 ? 207 NAG C H62 1 HETATM 17169 H H81 . NAG Q 4 . ? -9.060 -5.520 -6.860 1.00 27.09 ? 207 NAG C H81 1 HETATM 17170 H H82 . NAG Q 4 . ? -10.762 -5.872 -7.244 1.00 27.09 ? 207 NAG C H82 1 HETATM 17171 H H83 . NAG Q 4 . ? -10.254 -5.677 -5.549 1.00 27.09 ? 207 NAG C H83 1 HETATM 17172 H HN2 . NAG Q 4 . ? -10.878 -2.210 -5.608 1.00 28.71 ? 207 NAG C HN2 1 HETATM 17173 H HO3 . NAG Q 4 . ? -12.480 -5.135 -5.538 1.00 38.78 ? 207 NAG C HO3 1 HETATM 17174 H HO4 . NAG Q 4 . ? -14.688 -3.798 -3.133 1.00 44.24 ? 207 NAG C HO4 1 HETATM 17175 H HO6 . NAG Q 4 . ? -11.398 -5.418 -0.766 1.00 45.96 ? 207 NAG C HO6 1 HETATM 17176 C CA . OPE R 2 . ? 43.918 9.207 4.558 1.00 19.68 ? 3700 OPE D CA 1 HETATM 17177 C CB . OPE R 2 . ? 42.801 8.972 5.542 1.00 16.47 ? 3700 OPE D CB 1 HETATM 17178 O O1 . OPE R 2 . ? 46.924 11.295 5.468 1.00 15.19 ? 3700 OPE D O1 1 HETATM 17179 O O2 . OPE R 2 . ? 45.251 12.124 3.663 1.00 23.12 ? 3700 OPE D O2 1 HETATM 17180 O O3 . OPE R 2 . ? 46.537 9.883 3.429 1.00 12.13 ? 3700 OPE D O3 1 HETATM 17181 O O4 . OPE R 2 . ? 44.760 10.128 5.213 1.00 18.10 ? 3700 OPE D O4 1 HETATM 17182 N N . OPE R 2 . ? 42.158 10.288 5.750 1.00 21.91 ? 3700 OPE D N 1 HETATM 17183 P P . OPE R 2 . ? 45.969 10.827 4.384 1.00 17.68 ? 3700 OPE D P 1 HETATM 17184 CA CA . CA S 3 . ? 48.941 10.537 6.210 1.00 9.82 ? 205 CA D CA 1 HETATM 17185 C C1 . NAG T 4 . ? 38.582 -10.038 -11.661 1.00 16.89 ? 207 NAG D C1 1 HETATM 17186 C C2 . NAG T 4 . ? 39.213 -11.072 -12.603 1.00 17.35 ? 207 NAG D C2 1 HETATM 17187 C C3 . NAG T 4 . ? 38.450 -11.254 -13.912 1.00 25.44 ? 207 NAG D C3 1 HETATM 17188 C C4 . NAG T 4 . ? 36.974 -11.486 -13.646 1.00 29.12 ? 207 NAG D C4 1 HETATM 17189 C C5 . NAG T 4 . ? 36.491 -10.371 -12.709 1.00 38.42 ? 207 NAG D C5 1 HETATM 17190 C C6 . NAG T 4 . ? 34.995 -10.488 -12.399 1.00 36.12 ? 207 NAG D C6 1 HETATM 17191 C C7 . NAG T 4 . ? 41.594 -11.439 -12.597 1.00 27.94 ? 207 NAG D C7 1 HETATM 17192 C C8 . NAG T 4 . ? 42.946 -10.864 -12.899 1.00 32.57 ? 207 NAG D C8 1 HETATM 17193 N N2 . NAG T 4 . ? 40.565 -10.668 -12.877 1.00 20.88 ? 207 NAG D N2 1 HETATM 17194 O O3 . NAG T 4 . ? 39.020 -12.337 -14.614 1.00 31.03 ? 207 NAG D O3 1 HETATM 17195 O O4 . NAG T 4 . ? 36.239 -11.464 -14.876 1.00 29.77 ? 207 NAG D O4 1 HETATM 17196 O O5 . NAG T 4 . ? 37.235 -10.387 -11.492 1.00 22.25 ? 207 NAG D O5 1 HETATM 17197 O O6 . NAG T 4 . ? 34.720 -11.736 -11.791 1.00 42.45 ? 207 NAG D O6 1 HETATM 17198 O O7 . NAG T 4 . ? 41.461 -12.553 -12.108 1.00 30.04 ? 207 NAG D O7 1 HETATM 17199 H H2 . NAG T 4 . ? 39.235 -12.034 -12.091 1.00 20.80 ? 207 NAG D H2 1 HETATM 17200 H H3 . NAG T 4 . ? 38.556 -10.343 -14.500 1.00 30.52 ? 207 NAG D H3 1 HETATM 17201 H H4 . NAG T 4 . ? 36.861 -12.461 -13.173 1.00 34.94 ? 207 NAG D H4 1 HETATM 17202 H H5 . NAG T 4 . ? 36.666 -9.412 -13.197 1.00 46.09 ? 207 NAG D H5 1 HETATM 17203 H H61 . NAG T 4 . ? 34.424 -10.382 -13.321 1.00 43.33 ? 207 NAG D H61 1 HETATM 17204 H H62 . NAG T 4 . ? 34.699 -9.683 -11.727 1.00 43.33 ? 207 NAG D H62 1 HETATM 17205 H H81 . NAG T 4 . ? 43.459 -11.501 -13.620 1.00 39.07 ? 207 NAG D H81 1 HETATM 17206 H H82 . NAG T 4 . ? 43.531 -10.809 -11.981 1.00 39.07 ? 207 NAG D H82 1 HETATM 17207 H H83 . NAG T 4 . ? 42.830 -9.863 -13.317 1.00 39.07 ? 207 NAG D H83 1 HETATM 17208 H HN2 . NAG T 4 . ? 40.717 -9.763 -13.298 1.00 25.04 ? 207 NAG D HN2 1 HETATM 17209 H HO3 . NAG T 4 . ? 39.764 -12.708 -14.095 1.00 37.23 ? 207 NAG D HO3 1 HETATM 17210 H HO4 . NAG T 4 . ? 36.854 -11.303 -15.621 1.00 35.71 ? 207 NAG D HO4 1 HETATM 17211 H HO6 . NAG T 4 . ? 35.552 -12.247 -11.704 1.00 50.93 ? 207 NAG D HO6 1 HETATM 17212 CA CA . CA U 3 . ? 48.420 8.589 2.839 1.00 8.92 ? 206 CA D CA 1 HETATM 17213 C CA . OPE V 2 . ? 49.861 9.016 39.895 1.00 17.51 ? 4700 OPE E CA 1 HETATM 17214 C CB . OPE V 2 . ? 48.585 8.686 39.162 1.00 14.54 ? 4700 OPE E CB 1 HETATM 17215 O O1 . OPE V 2 . ? 51.843 10.109 41.762 1.00 10.74 ? 4700 OPE E O1 1 HETATM 17216 O O2 . OPE V 2 . ? 50.062 11.724 42.504 1.00 11.79 ? 4700 OPE E O2 1 HETATM 17217 O O3 . OPE V 2 . ? 51.213 12.022 40.259 1.00 17.96 ? 4700 OPE E O3 1 HETATM 17218 O O4 . OPE V 2 . ? 49.547 10.151 40.698 1.00 15.87 ? 4700 OPE E O4 1 HETATM 17219 N N . OPE V 2 . ? 48.172 9.822 38.311 1.00 20.03 ? 4700 OPE E N 1 HETATM 17220 P P . OPE V 2 . ? 50.756 11.025 41.347 1.00 14.22 ? 4700 OPE E P 1 HETATM 17221 CA CA . CA W 3 . ? 49.934 11.252 44.744 1.00 8.24 ? 205 CA E CA 1 HETATM 17222 C C1 . NAG X 4 . ? 61.982 -12.821 33.406 1.00 25.10 ? 207 NAG E C1 1 HETATM 17223 C C2 . NAG X 4 . ? 63.044 -13.644 34.163 1.00 28.24 ? 207 NAG E C2 1 HETATM 17224 C C3 . NAG X 4 . ? 64.212 -14.044 33.270 1.00 36.02 ? 207 NAG E C3 1 HETATM 17225 C C4 . NAG X 4 . ? 63.733 -14.705 31.992 1.00 40.67 ? 207 NAG E C4 1 HETATM 17226 C C5 . NAG X 4 . ? 62.542 -13.965 31.430 1.00 42.34 ? 207 NAG E C5 1 HETATM 17227 C C6 . NAG X 4 . ? 61.979 -14.747 30.256 1.00 43.38 ? 207 NAG E C6 1 HETATM 17228 C C7 . NAG X 4 . ? 63.712 -13.418 36.507 1.00 35.43 ? 207 NAG E C7 1 HETATM 17229 C C8 . NAG X 4 . ? 64.509 -12.579 37.469 1.00 36.50 ? 207 NAG E C8 1 HETATM 17230 N N2 . NAG X 4 . ? 63.636 -12.925 35.270 1.00 27.84 ? 207 NAG E N2 1 HETATM 17231 O O3 . NAG X 4 . ? 65.045 -14.963 33.947 1.00 37.42 ? 207 NAG E O3 1 HETATM 17232 O O4 . NAG X 4 . ? 64.755 -14.669 31.007 1.00 45.46 ? 207 NAG E O4 1 HETATM 17233 O O5 . NAG X 4 . ? 61.564 -13.741 32.419 1.00 28.64 ? 207 NAG E O5 1 HETATM 17234 O O6 . NAG X 4 . ? 60.769 -15.395 30.622 1.00 45.55 ? 207 NAG E O6 1 HETATM 17235 O O7 . NAG X 4 . ? 63.180 -14.474 36.852 1.00 34.72 ? 207 NAG E O7 1 HETATM 17236 H H2 . NAG X 4 . ? 62.568 -14.546 34.550 1.00 33.87 ? 207 NAG E H2 1 HETATM 17237 H H3 . NAG X 4 . ? 64.782 -13.146 33.029 1.00 43.22 ? 207 NAG E H3 1 HETATM 17238 H H4 . NAG X 4 . ? 63.481 -15.742 32.216 1.00 48.79 ? 207 NAG E H4 1 HETATM 17239 H H5 . NAG X 4 . ? 62.882 -12.996 31.064 1.00 50.80 ? 207 NAG E H5 1 HETATM 17240 H H61 . NAG X 4 . ? 62.710 -15.486 29.927 1.00 52.04 ? 207 NAG E H61 1 HETATM 17241 H H62 . NAG X 4 . ? 61.791 -14.069 29.424 1.00 52.04 ? 207 NAG E H62 1 HETATM 17242 H H81 . NAG X 4 . ? 65.347 -13.162 37.852 1.00 43.79 ? 207 NAG E H81 1 HETATM 17243 H H82 . NAG X 4 . ? 63.871 -12.273 38.298 1.00 43.79 ? 207 NAG E H82 1 HETATM 17244 H H83 . NAG X 4 . ? 64.886 -11.696 36.954 1.00 43.79 ? 207 NAG E H83 1 HETATM 17245 H HN2 . NAG X 4 . ? 64.006 -12.004 35.084 1.00 33.39 ? 207 NAG E HN2 1 HETATM 17246 H HO3 . NAG X 4 . ? 64.682 -15.136 34.841 1.00 44.89 ? 207 NAG E HO3 1 HETATM 17247 H HO4 . NAG X 4 . ? 65.546 -14.222 31.373 1.00 54.54 ? 207 NAG E HO4 1 HETATM 17248 H HO6 . NAG X 4 . ? 60.561 -15.194 31.558 1.00 54.65 ? 207 NAG E HO6 1 HETATM 17249 CA CA . CA Y 3 . ? 52.765 8.890 43.546 1.00 8.30 ? 206 CA E CA 1 HETATM 17250 O O . HOH Z 5 . ? 28.220 -6.245 52.467 1.00 17.13 ? 208 HOH A O 1 HETATM 17251 O O . HOH Z 5 . ? 5.396 -17.457 59.195 1.00 17.88 ? 209 HOH A O 1 HETATM 17252 O O . HOH Z 5 . ? 11.891 2.826 46.703 1.00 14.91 ? 210 HOH A O 1 HETATM 17253 O O . HOH Z 5 . ? 11.368 2.962 41.909 1.00 13.54 ? 211 HOH A O 1 HETATM 17254 O O . HOH Z 5 . ? 14.260 2.338 45.409 1.00 16.34 ? 212 HOH A O 1 HETATM 17255 O O . HOH Z 5 . ? 11.374 5.934 43.653 1.00 16.60 ? 213 HOH A O 1 HETATM 17256 O O . HOH Z 5 . ? 14.491 2.840 41.272 1.00 18.91 ? 214 HOH A O 1 HETATM 17257 O O . HOH Z 5 . ? 27.812 9.581 47.294 1.00 27.15 ? 215 HOH A O 1 HETATM 17258 O O . HOH Z 5 . ? 30.683 7.010 49.955 1.00 16.91 ? 216 HOH A O 1 HETATM 17259 O O . HOH Z 5 . ? 5.176 6.733 44.198 1.00 10.26 ? 217 HOH A O 1 HETATM 17260 O O . HOH Z 5 . ? 4.566 9.408 43.535 1.00 12.89 ? 218 HOH A O 1 HETATM 17261 O O . HOH Z 5 . ? 4.697 14.029 44.092 1.00 30.19 ? 219 HOH A O 1 HETATM 17262 O O . HOH Z 5 . ? 3.149 11.873 44.298 1.00 15.58 ? 220 HOH A O 1 HETATM 17263 O O . HOH Z 5 . ? 0.852 -1.829 43.129 1.00 11.61 ? 221 HOH A O 1 HETATM 17264 O O . HOH Z 5 . ? 14.756 -2.420 42.118 1.00 18.37 ? 222 HOH A O 1 HETATM 17265 O O . HOH Z 5 . ? 15.693 -2.574 39.536 1.00 19.86 ? 223 HOH A O 1 HETATM 17266 O O . HOH Z 5 . ? 11.239 5.191 33.541 1.00 23.85 ? 224 HOH A O 1 HETATM 17267 O O . HOH Z 5 . ? 14.620 10.724 60.929 1.00 16.64 ? 225 HOH A O 1 HETATM 17268 O O . HOH Z 5 . ? 10.931 16.609 58.088 1.00 20.54 ? 226 HOH A O 1 HETATM 17269 O O . HOH Z 5 . ? 12.993 18.920 56.297 1.00 21.40 ? 227 HOH A O 1 HETATM 17270 O O . HOH Z 5 . ? 23.488 -8.324 68.501 1.00 21.77 ? 228 HOH A O 1 HETATM 17271 O O . HOH Z 5 . ? 27.020 -4.337 59.291 1.00 11.49 ? 229 HOH A O 1 HETATM 17272 O O . HOH Z 5 . ? 25.373 -9.133 65.347 1.00 20.19 ? 230 HOH A O 1 HETATM 17273 O O . HOH Z 5 . ? 8.871 -16.050 57.340 1.00 23.14 ? 231 HOH A O 1 HETATM 17274 O O . HOH Z 5 . ? 2.947 -15.923 56.705 1.00 27.71 ? 232 HOH A O 1 HETATM 17275 O O . HOH Z 5 . ? 0.630 12.682 45.221 1.00 19.66 ? 233 HOH A O 1 HETATM 17276 O O . HOH Z 5 . ? -1.112 15.328 47.361 1.00 28.20 ? 234 HOH A O 1 HETATM 17277 O O . HOH Z 5 . ? 10.643 1.712 44.389 1.00 10.44 ? 235 HOH A O 1 HETATM 17278 O O . HOH Z 5 . ? -1.393 10.815 44.597 1.00 15.73 ? 236 HOH A O 1 HETATM 17279 O O . HOH Z 5 . ? 12.663 -6.518 44.435 1.00 23.31 ? 237 HOH A O 1 HETATM 17280 O O . HOH Z 5 . ? 19.210 -3.270 41.639 1.00 22.89 ? 238 HOH A O 1 HETATM 17281 O O . HOH Z 5 . ? 6.299 20.650 53.992 1.00 25.96 ? 239 HOH A O 1 HETATM 17282 O O . HOH Z 5 . ? 22.110 -4.606 69.378 1.00 20.34 ? 240 HOH A O 1 HETATM 17283 O O . HOH Z 5 . ? 26.557 -11.587 60.744 1.00 31.02 ? 241 HOH A O 1 HETATM 17284 O O . HOH Z 5 . ? 0.691 -12.072 64.478 1.00 21.67 ? 242 HOH A O 1 HETATM 17285 O O . HOH Z 5 . ? 30.953 -9.025 55.480 1.00 22.69 ? 243 HOH A O 1 HETATM 17286 O O . HOH Z 5 . ? 18.004 -7.122 49.596 1.00 8.25 ? 244 HOH A O 1 HETATM 17287 O O . HOH Z 5 . ? 15.842 -12.936 57.565 1.00 12.46 ? 249 HOH A O 1 HETATM 17288 O O . HOH Z 5 . ? 8.377 14.121 55.692 1.00 14.64 ? 271 HOH A O 1 HETATM 17289 O O . HOH Z 5 . ? 5.626 10.244 41.023 1.00 16.26 ? 278 HOH A O 1 HETATM 17290 O O . HOH Z 5 . ? 18.539 -10.514 66.240 1.00 16.04 ? 283 HOH A O 1 HETATM 17291 O O . HOH Z 5 . ? 29.747 7.059 52.484 1.00 14.21 ? 286 HOH A O 1 HETATM 17292 O O . HOH Z 5 . ? 0.040 -3.837 46.237 1.00 13.24 ? 295 HOH A O 1 HETATM 17293 O O . HOH Z 5 . ? 11.940 -8.362 54.019 1.00 10.58 ? 296 HOH A O 1 HETATM 17294 O O . HOH Z 5 . ? 26.895 -4.061 51.889 1.00 16.21 ? 305 HOH A O 1 HETATM 17295 O O . HOH Z 5 . ? 13.820 0.841 42.966 1.00 16.51 ? 307 HOH A O 1 HETATM 17296 O O . HOH Z 5 . ? 10.288 7.635 56.840 1.00 16.17 ? 308 HOH A O 1 HETATM 17297 O O . HOH Z 5 . ? 9.296 13.148 42.125 1.00 14.62 ? 310 HOH A O 1 HETATM 17298 O O . HOH Z 5 . ? 8.791 5.908 54.588 1.00 16.15 ? 312 HOH A O 1 HETATM 17299 O O . HOH Z 5 . ? 28.901 -4.091 67.655 1.00 14.92 ? 314 HOH A O 1 HETATM 17300 O O . HOH Z 5 . ? 31.380 8.629 62.033 1.00 16.05 ? 318 HOH A O 1 HETATM 17301 O O . HOH Z 5 . ? 6.865 -6.256 65.810 1.00 13.20 ? 329 HOH A O 1 HETATM 17302 O O . HOH Z 5 . ? 26.753 -0.399 52.346 1.00 14.96 ? 334 HOH A O 1 HETATM 17303 O O . HOH Z 5 . ? 25.369 -2.182 41.200 1.00 20.01 ? 338 HOH A O 1 HETATM 17304 O O . HOH Z 5 . ? 6.264 0.874 37.299 1.00 12.32 ? 345 HOH A O 1 HETATM 17305 O O . HOH Z 5 . ? 19.412 -18.238 52.135 1.00 23.49 ? 347 HOH A O 1 HETATM 17306 O O . HOH Z 5 . ? -6.566 0.272 55.629 1.00 18.04 ? 350 HOH A O 1 HETATM 17307 O O . HOH Z 5 . ? 24.146 -7.564 57.081 1.00 16.45 ? 353 HOH A O 1 HETATM 17308 O O . HOH Z 5 . ? 28.375 6.834 47.467 1.00 19.78 ? 359 HOH A O 1 HETATM 17309 O O . HOH Z 5 . ? 18.571 -18.224 56.132 1.00 19.50 ? 364 HOH A O 1 HETATM 17310 O O . HOH Z 5 . ? 2.286 11.660 52.153 1.00 17.02 ? 366 HOH A O 1 HETATM 17311 O O . HOH Z 5 . ? -3.367 -10.693 62.323 1.00 20.25 ? 375 HOH A O 1 HETATM 17312 O O . HOH Z 5 . ? -1.933 -11.093 56.581 1.00 20.14 ? 376 HOH A O 1 HETATM 17313 O O . HOH Z 5 . ? 4.298 -10.315 52.544 1.00 23.56 ? 377 HOH A O 1 HETATM 17314 O O . HOH Z 5 . ? 4.440 -7.079 52.283 1.00 22.14 ? 378 HOH A O 1 HETATM 17315 O O . HOH Z 5 . ? -2.633 -11.460 53.075 1.00 25.96 ? 379 HOH A O 1 HETATM 17316 O O . HOH Z 5 . ? -0.291 9.087 51.614 1.00 14.81 ? 380 HOH A O 1 HETATM 17317 O O . HOH Z 5 . ? 3.521 9.588 53.152 1.00 16.50 ? 381 HOH A O 1 HETATM 17318 O O . HOH Z 5 . ? -0.481 17.587 53.659 1.00 25.00 ? 382 HOH A O 1 HETATM 17319 O O . HOH Z 5 . ? 1.899 10.543 65.274 1.00 23.83 ? 383 HOH A O 1 HETATM 17320 O O . HOH Z 5 . ? 5.412 9.409 65.779 1.00 33.13 ? 384 HOH A O 1 HETATM 17321 O O . HOH Z 5 . ? 5.467 -3.994 69.683 1.00 26.07 ? 385 HOH A O 1 HETATM 17322 O O . HOH Z 5 . ? 16.129 10.229 41.071 1.00 21.41 ? 386 HOH A O 1 HETATM 17323 O O . HOH Z 5 . ? 16.369 13.147 43.661 1.00 21.69 ? 387 HOH A O 1 HETATM 17324 O O . HOH Z 5 . ? 15.180 15.723 45.601 1.00 27.19 ? 388 HOH A O 1 HETATM 17325 O O . HOH Z 5 . ? 14.928 9.434 45.324 1.00 17.89 ? 389 HOH A O 1 HETATM 17326 O O . HOH Z 5 . ? 19.324 16.608 66.795 1.00 31.31 ? 390 HOH A O 1 HETATM 17327 O O . HOH Z 5 . ? 29.626 9.538 53.990 1.00 26.54 ? 391 HOH A O 1 HETATM 17328 O O . HOH Z 5 . ? 20.890 2.959 39.325 1.00 23.61 ? 392 HOH A O 1 HETATM 17329 O O . HOH Z 5 . ? 17.692 -4.205 39.403 1.00 30.47 ? 393 HOH A O 1 HETATM 17330 O O . HOH Z 5 . ? 12.313 -5.009 40.869 1.00 25.21 ? 394 HOH A O 1 HETATM 17331 O O . HOH Z 5 . ? 30.533 -0.854 70.248 1.00 25.10 ? 395 HOH A O 1 HETATM 17332 O O . HOH Z 5 . ? 34.262 -5.482 65.258 1.00 29.09 ? 396 HOH A O 1 HETATM 17333 O O . HOH Z 5 . ? 36.315 -3.604 64.374 1.00 29.15 ? 397 HOH A O 1 HETATM 17334 O O . HOH Z 5 . ? 29.009 -6.174 58.947 1.00 17.81 ? 398 HOH A O 1 HETATM 17335 O O . HOH Z 5 . ? 26.214 -9.977 56.136 1.00 22.29 ? 399 HOH A O 1 HETATM 17336 O O . HOH Z 5 . ? 20.578 -5.025 42.979 1.00 23.67 ? 400 HOH A O 1 HETATM 17337 O O . HOH Z 5 . ? 20.077 -7.940 42.475 1.00 29.13 ? 401 HOH A O 1 HETATM 17338 O O . HOH Z 5 . ? 24.044 -12.210 46.920 1.00 26.45 ? 402 HOH A O 1 HETATM 17339 O O . HOH Z 5 . ? 27.670 -7.045 44.453 1.00 19.87 ? 404 HOH A O 1 HETATM 17340 O O . HOH Z 5 . ? 27.082 6.430 72.167 1.00 22.46 ? 407 HOH A O 1 HETATM 17341 O O . HOH Z 5 . ? 10.474 -10.592 53.280 1.00 18.67 ? 408 HOH A O 1 HETATM 17342 O O . HOH Z 5 . ? 22.146 -12.377 63.295 1.00 31.00 ? 409 HOH A O 1 HETATM 17343 O O . HOH Z 5 . ? 15.074 -19.255 53.825 1.00 29.04 ? 410 HOH A O 1 HETATM 17344 O O . HOH Z 5 . ? 9.870 -12.987 60.385 1.00 25.62 ? 411 HOH A O 1 HETATM 17345 O O . HOH Z 5 . ? 7.103 -13.669 63.731 1.00 24.33 ? 412 HOH A O 1 HETATM 17346 O O . HOH Z 5 . ? 11.491 -12.151 67.523 1.00 20.24 ? 413 HOH A O 1 HETATM 17347 O O . HOH Z 5 . ? 9.177 -7.822 67.044 1.00 22.53 ? 414 HOH A O 1 HETATM 17348 O O . HOH Z 5 . ? -1.301 -2.609 65.787 1.00 27.55 ? 415 HOH A O 1 HETATM 17349 O O . HOH Z 5 . ? -4.097 2.595 63.309 1.00 20.81 ? 416 HOH A O 1 HETATM 17350 O O . HOH Z 5 . ? -5.351 -0.976 60.495 1.00 25.32 ? 417 HOH A O 1 HETATM 17351 O O . HOH Z 5 . ? -6.397 2.826 56.775 1.00 22.62 ? 418 HOH A O 1 HETATM 17352 O O . HOH Z 5 . ? 2.856 -10.191 44.900 1.00 34.31 ? 419 HOH A O 1 HETATM 17353 O O . HOH Z 5 . ? -1.108 -11.155 43.790 1.00 32.33 ? 420 HOH A O 1 HETATM 17354 O O . HOH Z 5 . ? -0.342 -9.795 41.600 1.00 22.07 ? 421 HOH A O 1 HETATM 17355 O O . HOH Z 5 . ? 2.986 -8.715 39.901 1.00 26.82 ? 422 HOH A O 1 HETATM 17356 O O . HOH Z 5 . ? 15.975 18.579 54.485 1.00 30.84 ? 605 HOH A O 1 HETATM 17357 O O . HOH Z 5 . ? 0.329 -15.406 57.326 1.00 20.57 ? 615 HOH A O 1 HETATM 17358 O O . HOH Z 5 . ? 5.587 -6.641 39.776 1.00 25.71 ? 617 HOH A O 1 HETATM 17359 O O . HOH Z 5 . ? 5.695 -3.717 66.023 1.00 20.76 ? 624 HOH A O 1 HETATM 17360 O O . HOH Z 5 . ? 6.870 4.912 67.115 1.00 24.39 ? 638 HOH A O 1 HETATM 17361 O O . HOH Z 5 . ? -1.816 -14.923 60.799 1.00 20.16 ? 643 HOH A O 1 HETATM 17362 O O . HOH Z 5 . ? 6.622 -10.840 55.135 1.00 24.38 ? 657 HOH A O 1 HETATM 17363 O O . HOH Z 5 . ? 15.146 2.222 34.304 1.00 26.26 ? 670 HOH A O 1 HETATM 17364 O O . HOH Z 5 . ? 30.647 8.051 67.313 1.00 25.84 ? 682 HOH A O 1 HETATM 17365 O O . HOH Z 5 . ? 24.286 4.396 41.073 1.00 24.03 ? 684 HOH A O 1 HETATM 17366 O O . HOH Z 5 . ? 21.334 16.658 68.475 1.00 26.80 ? 696 HOH A O 1 HETATM 17367 O O . HOH Z 5 . ? 10.448 -6.551 45.986 1.00 34.20 ? 701 HOH A O 1 HETATM 17368 O O . HOH Z 5 . ? 13.388 -13.837 67.670 1.00 37.14 ? 711 HOH A O 1 HETATM 17369 O O . HOH Z 5 . ? 34.940 -0.426 68.630 1.00 32.87 ? 724 HOH A O 1 HETATM 17370 O O . HOH Z 5 . ? 28.185 12.587 57.563 1.00 30.68 ? 735 HOH A O 1 HETATM 17371 O O . HOH Z 5 . ? 13.153 16.294 48.030 1.00 31.79 ? 740 HOH A O 1 HETATM 17372 O O . HOH Z 5 . ? 20.216 14.181 51.696 1.00 34.63 ? 752 HOH A O 1 HETATM 17373 O O . HOH Z 5 . ? 22.009 -18.258 50.768 1.00 30.96 ? 753 HOH A O 1 HETATM 17374 O O . HOH Z 5 . ? 23.958 -16.460 51.109 1.00 32.34 ? 763 HOH A O 1 HETATM 17375 O O . HOH Z 5 . ? 13.694 -4.082 38.334 1.00 29.82 ? 766 HOH A O 1 HETATM 17376 O O . HOH Z 5 . ? 13.652 8.869 73.282 1.00 34.93 ? 815 HOH A O 1 HETATM 17377 O O . HOH Z 5 . ? -5.278 10.271 61.710 1.00 32.43 ? 819 HOH A O 1 HETATM 17378 O O . HOH Z 5 . ? 6.805 12.591 40.955 1.00 30.74 ? 822 HOH A O 1 HETATM 17379 O O . HOH Z 5 . ? 21.527 -4.465 38.858 1.00 40.50 ? 826 HOH A O 1 HETATM 17380 O O . HOH Z 5 . ? 13.560 -18.871 50.750 1.00 38.66 ? 830 HOH A O 1 HETATM 17381 O O . HOH Z 5 . ? -1.404 -10.872 48.883 1.00 39.43 ? 838 HOH A O 1 HETATM 17382 O O . HOH Z 5 . ? 13.783 14.319 67.516 1.00 26.16 ? 839 HOH A O 1 HETATM 17383 O O . HOH Z 5 . ? 18.952 15.903 44.071 1.00 48.26 ? 840 HOH A O 1 HETATM 17384 O O . HOH Z 5 . ? 13.719 5.064 42.469 1.00 37.02 ? 841 HOH A O 1 HETATM 17385 O O . HOH Z 5 . ? 14.895 7.213 43.840 1.00 28.12 ? 842 HOH A O 1 HETATM 17386 O O . HOH Z 5 . ? 14.260 8.955 39.348 1.00 27.88 ? 843 HOH A O 1 HETATM 17387 O O . HOH Z 5 . ? 15.430 8.272 36.870 1.00 29.38 ? 844 HOH A O 1 HETATM 17388 O O . HOH Z 5 . ? 20.816 8.848 39.921 1.00 32.49 ? 845 HOH A O 1 HETATM 17389 O O . HOH Z 5 . ? 21.755 14.889 59.747 1.00 27.49 ? 846 HOH A O 1 HETATM 17390 O O . HOH Z 5 . ? 18.360 17.890 60.040 1.00 37.51 ? 847 HOH A O 1 HETATM 17391 O O . HOH Z 5 . ? 29.962 9.507 58.024 1.00 32.63 ? 848 HOH A O 1 HETATM 17392 O O . HOH Z 5 . ? 27.266 10.353 52.096 1.00 31.19 ? 849 HOH A O 1 HETATM 17393 O O . HOH Z 5 . ? 17.564 3.849 36.164 1.00 32.28 ? 850 HOH A O 1 HETATM 17394 O O . HOH Z 5 . ? 9.646 -1.797 36.874 1.00 31.84 ? 851 HOH A O 1 HETATM 17395 O O . HOH Z 5 . ? 13.160 15.846 69.827 1.00 35.78 ? 852 HOH A O 1 HETATM 17396 O O . HOH Z 5 . ? 11.102 21.614 52.695 1.00 49.07 ? 853 HOH A O 1 HETATM 17397 O O . HOH Z 5 . ? 20.394 -14.708 62.594 1.00 43.22 ? 854 HOH A O 1 HETATM 17398 O O . HOH Z 5 . ? -3.614 14.429 46.812 1.00 29.18 ? 911 HOH A O 1 HETATM 17399 O O . HOH Z 5 . ? -5.566 14.680 48.634 1.00 31.24 ? 912 HOH A O 1 HETATM 17400 O O . HOH Z 5 . ? 17.544 16.615 52.975 1.00 35.91 ? 923 HOH A O 1 HETATM 17401 O O . HOH Z 5 . ? 31.829 7.770 57.255 1.00 30.51 ? 925 HOH A O 1 HETATM 17402 O O . HOH Z 5 . ? 1.699 -13.355 66.610 1.00 20.76 ? 934 HOH A O 1 HETATM 17403 O O . HOH Z 5 . ? 23.119 18.055 67.053 1.00 29.69 ? 935 HOH A O 1 HETATM 17404 O O . HOH Z 5 . ? 30.778 11.060 59.834 1.00 28.20 ? 943 HOH A O 1 HETATM 17405 O O . HOH Z 5 . ? 28.348 -8.166 39.962 1.00 33.70 ? 956 HOH A O 1 HETATM 17406 O O . HOH Z 5 . ? -1.771 16.408 50.940 1.00 35.39 ? 964 HOH A O 1 HETATM 17407 O O . HOH Z 5 . ? 10.234 -3.964 76.625 1.00 42.15 ? 965 HOH A O 1 HETATM 17408 O O . HOH Z 5 . ? 12.444 7.706 33.513 1.00 32.99 ? 975 HOH A O 1 HETATM 17409 O O . HOH Z 5 . ? 18.925 -3.501 37.137 1.00 34.54 ? 986 HOH A O 1 HETATM 17410 O O . HOH Z 5 . ? 29.201 -4.464 70.319 1.00 36.62 ? 989 HOH A O 1 HETATM 17411 O O . HOH Z 5 . ? 27.091 -6.135 42.000 1.00 28.90 ? 993 HOH A O 1 HETATM 17412 O O . HOH Z 5 . ? -5.837 -5.761 52.547 1.00 26.37 ? 994 HOH A O 1 HETATM 17413 O O . HOH Z 5 . ? -6.578 7.428 59.351 1.00 31.21 ? 1001 HOH A O 1 HETATM 17414 O O . HOH Z 5 . ? 7.187 16.551 45.024 1.00 30.95 ? 1003 HOH A O 1 HETATM 17415 O O . HOH Z 5 . ? 8.974 18.476 46.249 1.00 34.74 ? 1004 HOH A O 1 HETATM 17416 O O . HOH Z 5 . ? 7.129 18.860 47.927 1.00 43.58 ? 1005 HOH A O 1 HETATM 17417 O O . HOH Z 5 . ? 14.660 16.195 66.363 1.00 35.80 ? 1007 HOH A O 1 HETATM 17418 O O . HOH Z 5 . ? 10.677 17.097 69.723 1.00 33.06 ? 1008 HOH A O 1 HETATM 17419 O O . HOH Z 5 . ? 22.493 -4.648 41.224 1.00 33.43 ? 1009 HOH A O 1 HETATM 17420 O O . HOH Z 5 . ? 18.773 -5.663 41.248 1.00 36.51 ? 1010 HOH A O 1 HETATM 17421 O O . HOH Z 5 . ? 19.513 0.654 34.918 1.00 35.75 ? 1011 HOH A O 1 HETATM 17422 O O . HOH Z 5 . ? 33.019 -0.995 70.489 1.00 38.59 ? 1013 HOH A O 1 HETATM 17423 O O . HOH Z 5 . ? 16.835 -11.672 41.950 1.00 39.84 ? 1014 HOH A O 1 HETATM 17424 O O . HOH Z 5 . ? 22.596 -14.279 45.412 1.00 45.79 ? 1015 HOH A O 1 HETATM 17425 O O . HOH Z 5 . ? 34.098 6.516 65.846 1.00 31.34 ? 1017 HOH A O 1 HETATM 17426 O O . HOH Z 5 . ? 24.469 7.155 72.401 1.00 28.13 ? 1018 HOH A O 1 HETATM 17427 O O . HOH Z 5 . ? 23.663 9.716 71.507 1.00 29.14 ? 1019 HOH A O 1 HETATM 17428 O O . HOH Z 5 . ? 3.589 21.530 53.151 1.00 36.16 ? 1020 HOH A O 1 HETATM 17429 O O . HOH Z 5 . ? 15.651 -15.041 64.463 1.00 33.80 ? 1022 HOH A O 1 HETATM 17430 O O . HOH Z 5 . ? 18.207 -14.384 64.400 1.00 39.76 ? 1023 HOH A O 1 HETATM 17431 O O . HOH Z 5 . ? 17.270 -19.362 51.060 1.00 41.19 ? 1024 HOH A O 1 HETATM 17432 O O . HOH Z 5 . ? -4.767 -4.904 59.568 1.00 37.19 ? 1025 HOH A O 1 HETATM 17433 O O . HOH Z 5 . ? -4.629 -6.191 57.664 1.00 35.98 ? 1026 HOH A O 1 HETATM 17434 O O . HOH Z 5 . ? -6.334 -5.679 55.491 1.00 36.43 ? 1027 HOH A O 1 HETATM 17435 O O . HOH Z 5 . ? -5.972 1.253 61.430 1.00 35.93 ? 1028 HOH A O 1 HETATM 17436 O O . HOH Z 5 . ? -3.786 -2.519 64.768 1.00 40.39 ? 1029 HOH A O 1 HETATM 17437 O O . HOH Z 5 . ? 32.133 8.603 55.193 1.00 30.60 ? 1201 HOH A O 1 HETATM 17438 O O . HOH Z 5 . ? 28.983 11.623 55.079 1.00 33.46 ? 1202 HOH A O 1 HETATM 17439 O O . HOH Z 5 . ? 30.735 11.544 52.949 1.00 30.65 ? 1203 HOH A O 1 HETATM 17440 O O . HOH Z 5 . ? 2.372 17.373 59.750 1.00 34.07 ? 1266 HOH A O 1 HETATM 17441 O O . HOH Z 5 . ? -1.543 13.094 60.522 1.00 35.84 ? 1267 HOH A O 1 HETATM 17442 O O . HOH Z 5 . ? 7.399 5.096 69.725 1.00 37.54 ? 1268 HOH A O 1 HETATM 17443 O O . HOH Z 5 . ? 4.560 -3.244 71.853 1.00 41.51 ? 1269 HOH A O 1 HETATM 17444 O O . HOH Z 5 . ? 6.540 -6.764 69.645 1.00 31.87 ? 1270 HOH A O 1 HETATM 17445 O O . HOH Z 5 . ? 13.512 -5.674 71.117 1.00 34.46 ? 1271 HOH A O 1 HETATM 17446 O O . HOH Z 5 . ? 15.019 -4.239 75.037 1.00 43.24 ? 1272 HOH A O 1 HETATM 17447 O O . HOH Z 5 . ? 22.492 -3.476 71.708 1.00 41.38 ? 1273 HOH A O 1 HETATM 17448 O O . HOH Z 5 . ? 13.717 -7.894 42.633 1.00 46.79 ? 1277 HOH A O 1 HETATM 17449 O O . HOH Z 5 . ? 16.816 -7.278 40.597 1.00 40.25 ? 1278 HOH A O 1 HETATM 17450 O O . HOH Z 5 . ? 18.254 -9.840 42.548 1.00 45.44 ? 1279 HOH A O 1 HETATM 17451 O O . HOH Z 5 . ? 34.057 6.801 59.089 1.00 38.14 ? 1280 HOH A O 1 HETATM 17452 O O . HOH Z 5 . ? 28.477 8.786 72.154 1.00 43.44 ? 1281 HOH A O 1 HETATM 17453 O O . HOH Z 5 . ? 3.352 6.039 69.420 1.00 43.83 ? 1282 HOH A O 1 HETATM 17454 O O . HOH Z 5 . ? 7.349 20.888 49.362 1.00 42.57 ? 1283 HOH A O 1 HETATM 17455 O O . HOH Z 5 . ? 5.090 19.366 46.500 1.00 37.72 ? 1284 HOH A O 1 HETATM 17456 O O . HOH Z 5 . ? 0.069 15.737 44.997 1.00 40.97 ? 1285 HOH A O 1 HETATM 17457 O O . HOH Z 5 . ? 7.137 -14.713 55.225 1.00 36.03 ? 1286 HOH A O 1 HETATM 17458 O O . HOH Z 5 . ? 8.834 -18.870 57.369 1.00 36.65 ? 1288 HOH A O 1 HETATM 17459 O O . HOH Z 5 . ? 4.943 -17.723 56.583 1.00 32.59 ? 1289 HOH A O 1 HETATM 17460 O O . HOH Z 5 . ? 15.607 -11.164 66.088 1.00 21.85 ? 1290 HOH A O 1 HETATM 17461 O O . HOH Z 5 . ? 7.970 -13.277 61.671 1.00 38.59 ? 1291 HOH A O 1 HETATM 17462 O O . HOH Z 5 . ? -6.909 2.926 59.584 1.00 32.53 ? 1292 HOH A O 1 HETATM 17463 O O . HOH Z 5 . ? -8.162 -1.719 52.613 1.00 38.97 ? 1293 HOH A O 1 HETATM 17464 O O . HOH Z 5 . ? -6.758 5.181 60.889 1.00 44.14 ? 1314 HOH A O 1 HETATM 17465 O O . HOH Z 5 . ? 4.605 18.011 60.903 1.00 27.68 ? 1380 HOH A O 1 HETATM 17466 O O . HOH Z 5 . ? 11.268 20.792 59.570 1.00 35.37 ? 1398 HOH A O 1 HETATM 17467 O O . HOH Z 5 . ? 28.152 -16.057 56.418 1.00 36.55 ? 1399 HOH A O 1 HETATM 17468 O O . HOH Z 5 . ? -0.377 -11.068 39.196 1.00 32.96 ? 1406 HOH A O 1 HETATM 17469 O O . HOH Z 5 . ? -2.406 -13.987 56.755 1.00 38.42 ? 1407 HOH A O 1 HETATM 17470 O O . HOH Z 5 . ? 14.404 16.807 43.090 1.00 38.33 ? 1427 HOH A O 1 HETATM 17471 O O . HOH Z 5 . ? 26.350 12.540 68.958 1.00 32.68 ? 1429 HOH A O 1 HETATM 17472 O O . HOH Z 5 . ? 33.228 8.710 64.022 1.00 35.50 ? 1437 HOH A O 1 HETATM 17473 O O . HOH Z 5 . ? 6.766 -11.260 50.530 1.00 33.55 ? 1441 HOH A O 1 HETATM 17474 O O . HOH Z 5 . ? 15.052 -12.215 70.798 1.00 30.07 ? 1443 HOH A O 1 HETATM 17475 O O . HOH Z 5 . ? 13.957 -18.817 56.932 1.00 40.08 ? 1445 HOH A O 1 HETATM 17476 O O . HOH Z 5 . ? 17.298 15.560 49.999 1.00 35.76 ? 1447 HOH A O 1 HETATM 17477 O O . HOH Z 5 . ? 31.838 1.850 72.544 1.00 40.20 ? 1454 HOH A O 1 HETATM 17478 O O . HOH Z 5 . ? 5.481 -8.660 68.026 1.00 29.72 ? 1457 HOH A O 1 HETATM 17479 O O . HOH Z 5 . ? 39.194 2.264 63.925 1.00 24.04 ? 1459 HOH A O 1 HETATM 17480 O O . HOH Z 5 . ? 20.989 12.053 66.205 1.00 20.84 ? 1463 HOH A O 1 HETATM 17481 O O . HOH Z 5 . ? 22.074 -5.776 55.570 1.00 33.54 ? 1465 HOH A O 1 HETATM 17482 O O . HOH Z 5 . ? 25.893 11.310 71.453 1.00 39.53 ? 1467 HOH A O 1 HETATM 17483 O O . HOH Z 5 . ? 5.116 19.096 64.144 1.00 41.14 ? 1468 HOH A O 1 HETATM 17484 O O . HOH Z 5 . ? 11.759 18.179 46.198 1.00 37.51 ? 1469 HOH A O 1 HETATM 17485 O O . HOH Z 5 . ? 3.985 -13.721 52.800 1.00 41.07 ? 1470 HOH A O 1 HETATM 17486 O O . HOH Z 5 . ? 16.158 -6.787 71.392 1.00 48.64 ? 1471 HOH A O 1 HETATM 17487 O O . HOH Z 5 . ? 10.195 -12.407 46.679 1.00 44.55 ? 1473 HOH A O 1 HETATM 17488 O O . HOH Z 5 . ? 11.012 -8.924 70.879 1.00 32.44 ? 1474 HOH A O 1 HETATM 17489 O O . HOH Z 5 . ? -1.105 -0.233 67.779 1.00 46.35 ? 1475 HOH A O 1 HETATM 17490 O O . HOH Z 5 . ? -0.870 2.113 69.419 1.00 44.74 ? 1476 HOH A O 1 HETATM 17491 O O . HOH Z 5 . ? 1.489 -10.968 48.157 1.00 37.94 ? 1478 HOH A O 1 HETATM 17492 O O . HOH AA 5 . ? 3.379 3.437 21.893 1.00 12.38 ? 208 HOH B O 1 HETATM 17493 O O . HOH AA 5 . ? -8.543 0.101 43.026 1.00 11.74 ? 209 HOH B O 1 HETATM 17494 O O . HOH AA 5 . ? 2.935 9.965 15.371 1.00 11.84 ? 210 HOH B O 1 HETATM 17495 O O . HOH AA 5 . ? -9.341 10.504 17.012 1.00 8.21 ? 211 HOH B O 1 HETATM 17496 O O . HOH AA 5 . ? -4.877 -3.896 13.564 1.00 11.16 ? 212 HOH B O 1 HETATM 17497 O O . HOH AA 5 . ? 4.236 3.337 39.121 1.00 9.82 ? 213 HOH B O 1 HETATM 17498 O O . HOH AA 5 . ? 2.262 10.753 41.836 1.00 15.87 ? 214 HOH B O 1 HETATM 17499 O O . HOH AA 5 . ? 3.193 13.433 18.706 1.00 9.72 ? 215 HOH B O 1 HETATM 17500 O O . HOH AA 5 . ? -0.935 18.045 23.296 1.00 20.57 ? 216 HOH B O 1 HETATM 17501 O O . HOH AA 5 . ? -1.749 -2.480 42.274 1.00 18.88 ? 217 HOH B O 1 HETATM 17502 O O . HOH AA 5 . ? 8.433 10.252 29.958 1.00 29.96 ? 218 HOH B O 1 HETATM 17503 O O . HOH AA 5 . ? -21.828 -0.891 25.113 1.00 22.68 ? 219 HOH B O 1 HETATM 17504 O O . HOH AA 5 . ? -2.567 10.176 9.927 1.00 13.58 ? 220 HOH B O 1 HETATM 17505 O O . HOH AA 5 . ? 5.038 3.524 24.819 1.00 17.38 ? 221 HOH B O 1 HETATM 17506 O O . HOH AA 5 . ? -9.182 9.449 13.072 1.00 12.67 ? 222 HOH B O 1 HETATM 17507 O O . HOH AA 5 . ? -0.494 6.820 16.387 1.00 8.61 ? 223 HOH B O 1 HETATM 17508 O O . HOH AA 5 . ? -13.036 13.673 29.888 1.00 9.31 ? 224 HOH B O 1 HETATM 17509 O O . HOH AA 5 . ? 0.165 9.262 15.288 1.00 10.99 ? 225 HOH B O 1 HETATM 17510 O O . HOH AA 5 . ? -9.884 15.809 21.847 1.00 8.42 ? 226 HOH B O 1 HETATM 17511 O O . HOH AA 5 . ? 5.719 10.559 18.007 1.00 19.46 ? 227 HOH B O 1 HETATM 17512 O O . HOH AA 5 . ? -7.538 -3.651 40.121 1.00 18.95 ? 228 HOH B O 1 HETATM 17513 O O . HOH AA 5 . ? -5.535 13.884 43.482 1.00 22.59 ? 229 HOH B O 1 HETATM 17514 O O . HOH AA 5 . ? -3.934 12.228 45.185 1.00 25.07 ? 230 HOH B O 1 HETATM 17515 O O . HOH AA 5 . ? -25.174 13.284 33.100 1.00 12.98 ? 231 HOH B O 1 HETATM 17516 O O . HOH AA 5 . ? -8.730 21.181 25.756 1.00 11.00 ? 232 HOH B O 1 HETATM 17517 O O . HOH AA 5 . ? -8.756 12.398 15.307 1.00 10.92 ? 233 HOH B O 1 HETATM 17518 O O . HOH AA 5 . ? -11.257 18.758 24.847 1.00 9.01 ? 234 HOH B O 1 HETATM 17519 O O . HOH AA 5 . ? -11.887 20.514 33.769 1.00 21.17 ? 235 HOH B O 1 HETATM 17520 O O . HOH AA 5 . ? 4.586 8.239 23.510 1.00 17.15 ? 236 HOH B O 1 HETATM 17521 O O . HOH AA 5 . ? 2.830 1.834 24.926 1.00 15.39 ? 237 HOH B O 1 HETATM 17522 O O . HOH AA 5 . ? 0.333 19.376 21.420 1.00 25.27 ? 238 HOH B O 1 HETATM 17523 O O . HOH AA 5 . ? 1.318 17.302 24.692 1.00 21.37 ? 239 HOH B O 1 HETATM 17524 O O . HOH AA 5 . ? -2.545 -4.872 31.996 1.00 9.37 ? 240 HOH B O 1 HETATM 17525 O O . HOH AA 5 . ? -2.194 17.865 27.784 1.00 19.14 ? 241 HOH B O 1 HETATM 17526 O O . HOH AA 5 . ? -1.825 3.168 40.015 1.00 15.10 ? 242 HOH B O 1 HETATM 17527 O O . HOH AA 5 . ? -1.578 -0.454 40.506 1.00 15.52 ? 243 HOH B O 1 HETATM 17528 O O . HOH AA 5 . ? 5.554 -3.940 39.429 1.00 23.21 ? 244 HOH B O 1 HETATM 17529 O O . HOH AA 5 . ? 10.635 4.343 25.868 1.00 36.04 ? 245 HOH B O 1 HETATM 17530 O O . HOH AA 5 . ? 2.735 8.484 25.303 1.00 19.86 ? 246 HOH B O 1 HETATM 17531 O O . HOH AA 5 . ? 3.817 -1.597 26.060 1.00 16.50 ? 247 HOH B O 1 HETATM 17532 O O . HOH AA 5 . ? 7.094 9.465 23.041 1.00 17.43 ? 248 HOH B O 1 HETATM 17533 O O . HOH AA 5 . ? -8.669 13.776 46.068 1.00 24.41 ? 249 HOH B O 1 HETATM 17534 O O . HOH AA 5 . ? -8.506 10.037 48.464 1.00 21.10 ? 250 HOH B O 1 HETATM 17535 O O . HOH AA 5 . ? -4.270 19.181 29.158 1.00 17.20 ? 251 HOH B O 1 HETATM 17536 O O . HOH AA 5 . ? -9.883 18.490 35.917 1.00 14.95 ? 252 HOH B O 1 HETATM 17537 O O . HOH AA 5 . ? 6.119 11.206 25.006 1.00 12.17 ? 253 HOH B O 1 HETATM 17538 O O . HOH AA 5 . ? -16.658 20.646 35.355 1.00 13.49 ? 254 HOH B O 1 HETATM 17539 O O . HOH AA 5 . ? 8.283 -0.217 17.585 1.00 19.08 ? 255 HOH B O 1 HETATM 17540 O O . HOH AA 5 . ? 3.814 9.866 38.939 1.00 18.90 ? 256 HOH B O 1 HETATM 17541 O O . HOH AA 5 . ? 1.457 14.553 12.560 1.00 24.46 ? 257 HOH B O 1 HETATM 17542 O O . HOH AA 5 . ? 0.680 2.400 22.226 1.00 10.44 ? 258 HOH B O 1 HETATM 17543 O O . HOH AA 5 . ? -9.214 7.572 23.040 1.00 9.51 ? 259 HOH B O 1 HETATM 17544 O O . HOH AA 5 . ? -10.837 9.610 24.892 1.00 8.63 ? 260 HOH B O 1 HETATM 17545 O O . HOH AA 5 . ? -0.785 11.641 13.953 1.00 12.62 ? 262 HOH B O 1 HETATM 17546 O O . HOH AA 5 . ? 1.851 6.657 22.203 1.00 10.80 ? 281 HOH B O 1 HETATM 17547 O O . HOH AA 5 . ? -15.461 0.506 9.559 1.00 15.41 ? 289 HOH B O 1 HETATM 17548 O O . HOH AA 5 . ? -8.748 -6.250 27.848 1.00 12.74 ? 298 HOH B O 1 HETATM 17549 O O . HOH AA 5 . ? -1.121 3.971 23.938 1.00 13.95 ? 304 HOH B O 1 HETATM 17550 O O . HOH AA 5 . ? -2.542 12.443 11.903 1.00 13.30 ? 306 HOH B O 1 HETATM 17551 O O . HOH AA 5 . ? -21.344 -3.260 26.360 1.00 12.93 ? 315 HOH B O 1 HETATM 17552 O O . HOH AA 5 . ? -21.139 12.496 19.207 1.00 13.53 ? 316 HOH B O 1 HETATM 17553 O O . HOH AA 5 . ? -0.464 10.986 41.866 1.00 14.79 ? 320 HOH B O 1 HETATM 17554 O O . HOH AA 5 . ? 1.481 10.913 25.550 1.00 14.31 ? 326 HOH B O 1 HETATM 17555 O O . HOH AA 5 . ? 0.852 3.611 25.909 1.00 14.83 ? 327 HOH B O 1 HETATM 17556 O O . HOH AA 5 . ? -19.376 17.692 30.802 1.00 12.27 ? 331 HOH B O 1 HETATM 17557 O O . HOH AA 5 . ? -5.764 16.821 41.275 1.00 19.74 ? 332 HOH B O 1 HETATM 17558 O O . HOH AA 5 . ? 6.012 0.332 16.016 1.00 11.84 ? 340 HOH B O 1 HETATM 17559 O O . HOH AA 5 . ? -15.794 1.486 47.307 1.00 14.65 ? 346 HOH B O 1 HETATM 17560 O O . HOH AA 5 . ? -21.333 12.007 42.931 1.00 19.50 ? 349 HOH B O 1 HETATM 17561 O O . HOH AA 5 . ? -16.025 -9.948 15.670 1.00 19.76 ? 351 HOH B O 1 HETATM 17562 O O . HOH AA 5 . ? -15.934 19.607 19.624 1.00 15.42 ? 363 HOH B O 1 HETATM 17563 O O . HOH AA 5 . ? -24.961 10.251 39.821 1.00 19.78 ? 373 HOH B O 1 HETATM 17564 O O . HOH AA 5 . ? 1.547 -9.359 37.600 1.00 34.04 ? 423 HOH B O 1 HETATM 17565 O O . HOH AA 5 . ? -18.183 -7.344 14.152 1.00 30.70 ? 424 HOH B O 1 HETATM 17566 O O . HOH AA 5 . ? -12.262 -9.232 22.552 1.00 28.43 ? 425 HOH B O 1 HETATM 17567 O O . HOH AA 5 . ? -9.521 -5.991 19.978 1.00 18.15 ? 426 HOH B O 1 HETATM 17568 O O . HOH AA 5 . ? -10.343 18.413 12.611 1.00 12.97 ? 427 HOH B O 1 HETATM 17569 O O . HOH AA 5 . ? -21.711 7.772 25.360 1.00 18.09 ? 428 HOH B O 1 HETATM 17570 O O . HOH AA 5 . ? -22.721 5.528 28.006 1.00 28.73 ? 429 HOH B O 1 HETATM 17571 O O . HOH AA 5 . ? -25.777 5.121 31.734 1.00 18.05 ? 430 HOH B O 1 HETATM 17572 O O . HOH AA 5 . ? -24.638 5.554 34.285 1.00 14.72 ? 431 HOH B O 1 HETATM 17573 O O . HOH AA 5 . ? -22.155 4.992 35.282 1.00 15.36 ? 432 HOH B O 1 HETATM 17574 O O . HOH AA 5 . ? -19.730 0.746 41.298 1.00 17.42 ? 433 HOH B O 1 HETATM 17575 O O . HOH AA 5 . ? -28.257 -0.597 35.698 1.00 17.05 ? 434 HOH B O 1 HETATM 17576 O O . HOH AA 5 . ? -18.543 -3.145 43.232 1.00 20.44 ? 435 HOH B O 1 HETATM 17577 O O . HOH AA 5 . ? -15.260 -4.585 43.894 1.00 22.78 ? 436 HOH B O 1 HETATM 17578 O O . HOH AA 5 . ? 3.731 14.441 25.786 1.00 15.95 ? 437 HOH B O 1 HETATM 17579 O O . HOH AA 5 . ? 1.111 15.733 29.676 1.00 18.63 ? 438 HOH B O 1 HETATM 17580 O O . HOH AA 5 . ? -2.400 16.692 31.851 1.00 18.67 ? 439 HOH B O 1 HETATM 17581 O O . HOH AA 5 . ? -23.805 15.387 36.322 1.00 24.15 ? 440 HOH B O 1 HETATM 17582 O O . HOH AA 5 . ? -21.451 19.704 30.442 1.00 16.60 ? 441 HOH B O 1 HETATM 17583 O O . HOH AA 5 . ? -17.901 20.131 31.121 1.00 19.26 ? 442 HOH B O 1 HETATM 17584 O O . HOH AA 5 . ? -21.441 22.851 35.500 1.00 18.40 ? 443 HOH B O 1 HETATM 17585 O O . HOH AA 5 . ? -15.117 19.375 41.410 1.00 13.05 ? 444 HOH B O 1 HETATM 17586 O O . HOH AA 5 . ? -0.489 13.872 38.969 1.00 25.61 ? 445 HOH B O 1 HETATM 17587 O O . HOH AA 5 . ? 8.152 0.093 35.518 1.00 18.97 ? 446 HOH B O 1 HETATM 17588 O O . HOH AA 5 . ? 6.571 -1.866 26.090 1.00 18.09 ? 447 HOH B O 1 HETATM 17589 O O . HOH AA 5 . ? 11.816 2.394 23.373 1.00 23.55 ? 448 HOH B O 1 HETATM 17590 O O . HOH AA 5 . ? 11.428 4.781 18.878 1.00 24.26 ? 449 HOH B O 1 HETATM 17591 O O . HOH AA 5 . ? -17.374 5.064 49.280 1.00 23.97 ? 450 HOH B O 1 HETATM 17592 O O . HOH AA 5 . ? -11.804 0.346 51.778 1.00 26.59 ? 451 HOH B O 1 HETATM 17593 O O . HOH AA 5 . ? -7.634 -1.496 45.078 1.00 20.22 ? 452 HOH B O 1 HETATM 17594 O O . HOH AA 5 . ? -20.164 11.876 45.550 1.00 20.89 ? 453 HOH B O 1 HETATM 17595 O O . HOH AA 5 . ? -27.668 8.667 30.120 1.00 32.26 ? 454 HOH B O 1 HETATM 17596 O O . HOH AA 5 . ? -19.028 20.314 20.758 1.00 28.44 ? 455 HOH B O 1 HETATM 17597 O O . HOH AA 5 . ? -4.993 20.816 25.487 1.00 20.44 ? 456 HOH B O 1 HETATM 17598 O O . HOH AA 5 . ? -6.071 20.870 28.040 1.00 15.58 ? 457 HOH B O 1 HETATM 17599 O O . HOH AA 5 . ? -18.319 -6.145 38.074 1.00 16.09 ? 458 HOH B O 1 HETATM 17600 O O . HOH AA 5 . ? -9.341 -14.914 36.356 1.00 24.53 ? 459 HOH B O 1 HETATM 17601 O O . HOH AA 5 . ? -5.326 -15.368 35.779 1.00 24.71 ? 460 HOH B O 1 HETATM 17602 O O . HOH AA 5 . ? -8.688 -8.745 26.609 1.00 23.57 ? 461 HOH B O 1 HETATM 17603 O O . HOH AA 5 . ? -11.118 -9.939 33.459 1.00 16.02 ? 462 HOH B O 1 HETATM 17604 O O . HOH AA 5 . ? -21.847 3.866 14.043 1.00 18.63 ? 463 HOH B O 1 HETATM 17605 O O . HOH AA 5 . ? -19.832 -0.247 12.591 1.00 25.76 ? 464 HOH B O 1 HETATM 17606 O O . HOH AA 5 . ? -18.473 8.149 9.810 1.00 26.97 ? 465 HOH B O 1 HETATM 17607 O O . HOH AA 5 . ? -0.962 -10.433 12.746 1.00 21.71 ? 466 HOH B O 1 HETATM 17608 O O . HOH AA 5 . ? -9.158 20.948 33.295 1.00 24.54 ? 606 HOH B O 1 HETATM 17609 O O . HOH AA 5 . ? -5.372 18.800 34.721 1.00 31.64 ? 607 HOH B O 1 HETATM 17610 O O . HOH AA 5 . ? -8.664 21.794 18.274 1.00 13.49 ? 612 HOH B O 1 HETATM 17611 O O . HOH AA 5 . ? -22.369 20.300 28.038 1.00 16.83 ? 614 HOH B O 1 HETATM 17612 O O . HOH AA 5 . ? 3.078 12.537 16.009 1.00 21.50 ? 618 HOH B O 1 HETATM 17613 O O . HOH AA 5 . ? 8.727 4.342 29.868 1.00 22.93 ? 625 HOH B O 1 HETATM 17614 O O . HOH AA 5 . ? -20.551 12.086 22.584 1.00 24.94 ? 628 HOH B O 1 HETATM 17615 O O . HOH AA 5 . ? -26.736 -2.472 33.500 1.00 21.53 ? 630 HOH B O 1 HETATM 17616 O O . HOH AA 5 . ? 9.729 8.802 23.340 1.00 23.98 ? 635 HOH B O 1 HETATM 17617 O O . HOH AA 5 . ? -17.740 21.997 33.220 1.00 16.64 ? 637 HOH B O 1 HETATM 17618 O O . HOH AA 5 . ? -20.440 14.789 41.722 1.00 27.19 ? 639 HOH B O 1 HETATM 17619 O O . HOH AA 5 . ? -12.376 23.046 25.164 1.00 21.15 ? 644 HOH B O 1 HETATM 17620 O O . HOH AA 5 . ? -16.450 3.035 9.790 1.00 21.15 ? 645 HOH B O 1 HETATM 17621 O O . HOH AA 5 . ? 0.623 13.798 14.967 1.00 20.46 ? 647 HOH B O 1 HETATM 17622 O O . HOH AA 5 . ? -23.342 -0.915 18.255 1.00 24.57 ? 648 HOH B O 1 HETATM 17623 O O . HOH AA 5 . ? -10.855 16.894 10.383 1.00 27.03 ? 658 HOH B O 1 HETATM 17624 O O . HOH AA 5 . ? 0.595 -5.576 25.310 1.00 26.23 ? 671 HOH B O 1 HETATM 17625 O O . HOH AA 5 . ? -14.289 13.998 47.414 1.00 31.71 ? 691 HOH B O 1 HETATM 17626 O O . HOH AA 5 . ? 2.767 -6.824 17.243 1.00 28.87 ? 697 HOH B O 1 HETATM 17627 O O . HOH AA 5 . ? 8.371 6.508 33.403 1.00 29.40 ? 703 HOH B O 1 HETATM 17628 O O . HOH AA 5 . ? -20.145 11.063 11.275 1.00 27.85 ? 705 HOH B O 1 HETATM 17629 O O . HOH AA 5 . ? -1.095 14.594 11.306 1.00 33.58 ? 706 HOH B O 1 HETATM 17630 O O . HOH AA 5 . ? -25.312 13.099 36.038 1.00 27.52 ? 710 HOH B O 1 HETATM 17631 O O . HOH AA 5 . ? -26.075 0.054 25.615 1.00 26.37 ? 712 HOH B O 1 HETATM 17632 O O . HOH AA 5 . ? -6.004 -5.972 42.142 1.00 25.50 ? 713 HOH B O 1 HETATM 17633 O O . HOH AA 5 . ? -6.673 17.854 38.700 1.00 33.39 ? 718 HOH B O 1 HETATM 17634 O O . HOH AA 5 . ? -17.375 -10.940 27.228 1.00 23.82 ? 723 HOH B O 1 HETATM 17635 O O . HOH AA 5 . ? 1.792 -8.973 15.196 1.00 27.74 ? 731 HOH B O 1 HETATM 17636 O O . HOH AA 5 . ? -22.018 -4.272 28.882 1.00 30.44 ? 733 HOH B O 1 HETATM 17637 O O . HOH AA 5 . ? -14.094 21.974 20.222 1.00 26.37 ? 738 HOH B O 1 HETATM 17638 O O . HOH AA 5 . ? -3.833 20.692 16.776 1.00 27.24 ? 743 HOH B O 1 HETATM 17639 O O . HOH AA 5 . ? -6.265 -10.251 9.806 1.00 24.52 ? 746 HOH B O 1 HETATM 17640 O O . HOH AA 5 . ? -19.079 3.478 10.252 1.00 31.35 ? 756 HOH B O 1 HETATM 17641 O O . HOH AA 5 . ? 4.072 -4.441 23.629 1.00 23.03 ? 759 HOH B O 1 HETATM 17642 O O . HOH AA 5 . ? 3.990 12.442 37.546 1.00 30.97 ? 761 HOH B O 1 HETATM 17643 O O . HOH AA 5 . ? 2.342 13.063 39.923 1.00 28.57 ? 768 HOH B O 1 HETATM 17644 O O . HOH AA 5 . ? 8.567 9.320 33.382 1.00 29.67 ? 777 HOH B O 1 HETATM 17645 O O . HOH AA 5 . ? -0.283 19.302 18.807 1.00 27.85 ? 780 HOH B O 1 HETATM 17646 O O . HOH AA 5 . ? -20.805 -6.078 40.652 1.00 32.68 ? 789 HOH B O 1 HETATM 17647 O O . HOH AA 5 . ? 4.974 15.310 19.254 1.00 29.06 ? 794 HOH B O 1 HETATM 17648 O O . HOH AA 5 . ? -1.767 13.726 41.755 1.00 30.56 ? 817 HOH B O 1 HETATM 17649 O O . HOH AA 5 . ? -20.669 2.075 12.148 1.00 33.10 ? 823 HOH B O 1 HETATM 17650 O O . HOH AA 5 . ? -21.650 22.900 27.464 1.00 33.27 ? 824 HOH B O 1 HETATM 17651 O O . HOH AA 5 . ? -10.274 -10.150 25.108 1.00 29.22 ? 825 HOH B O 1 HETATM 17652 O O . HOH AA 5 . ? -17.742 -5.677 44.260 1.00 35.25 ? 827 HOH B O 1 HETATM 17653 O O . HOH AA 5 . ? 0.289 15.697 16.749 1.00 27.85 ? 828 HOH B O 1 HETATM 17654 O O . HOH AA 5 . ? -19.900 -8.672 34.596 1.00 25.54 ? 829 HOH B O 1 HETATM 17655 O O . HOH AA 5 . ? -12.911 -10.978 14.050 1.00 28.85 ? 855 HOH B O 1 HETATM 17656 O O . HOH AA 5 . ? 8.296 -2.851 17.564 1.00 36.73 ? 856 HOH B O 1 HETATM 17657 O O . HOH AA 5 . ? -18.290 2.557 48.326 1.00 30.44 ? 857 HOH B O 1 HETATM 17658 O O . HOH AA 5 . ? -25.104 19.682 27.825 1.00 28.23 ? 858 HOH B O 1 HETATM 17659 O O . HOH AA 5 . ? -2.397 18.513 17.575 1.00 27.02 ? 859 HOH B O 1 HETATM 17660 O O . HOH AA 5 . ? -10.611 -5.105 46.304 1.00 37.36 ? 860 HOH B O 1 HETATM 17661 O O . HOH AA 5 . ? -5.909 -16.967 29.772 1.00 36.72 ? 861 HOH B O 1 HETATM 17662 O O . HOH AA 5 . ? -22.929 -9.088 20.645 1.00 23.77 ? 862 HOH B O 1 HETATM 17663 O O . HOH AA 5 . ? -5.876 -10.447 12.619 1.00 35.10 ? 863 HOH B O 1 HETATM 17664 O O . HOH AA 5 . ? -1.559 19.174 32.395 1.00 37.78 ? 905 HOH B O 1 HETATM 17665 O O . HOH AA 5 . ? -13.423 22.671 22.460 1.00 33.61 ? 907 HOH B O 1 HETATM 17666 O O . HOH AA 5 . ? -8.536 -16.595 32.437 1.00 36.44 ? 917 HOH B O 1 HETATM 17667 O O . HOH AA 5 . ? -19.723 23.971 33.518 1.00 24.50 ? 924 HOH B O 1 HETATM 17668 O O . HOH AA 5 . ? 10.474 9.859 34.943 1.00 34.12 ? 927 HOH B O 1 HETATM 17669 O O . HOH AA 5 . ? 3.714 5.709 24.257 1.00 23.27 ? 932 HOH B O 1 HETATM 17670 O O . HOH AA 5 . ? -22.030 -8.774 16.079 1.00 21.40 ? 933 HOH B O 1 HETATM 17671 O O . HOH AA 5 . ? -20.667 22.389 31.133 1.00 32.98 ? 939 HOH B O 1 HETATM 17672 O O . HOH AA 5 . ? -10.108 2.172 53.274 1.00 26.66 ? 941 HOH B O 1 HETATM 17673 O O . HOH AA 5 . ? 8.093 12.753 25.905 1.00 32.97 ? 952 HOH B O 1 HETATM 17674 O O . HOH AA 5 . ? 3.765 17.853 23.213 1.00 31.36 ? 960 HOH B O 1 HETATM 17675 O O . HOH AA 5 . ? -19.511 -12.322 26.671 1.00 36.92 ? 963 HOH B O 1 HETATM 17676 O O . HOH AA 5 . ? -14.320 -8.116 40.702 1.00 36.89 ? 966 HOH B O 1 HETATM 17677 O O . HOH AA 5 . ? -5.689 -12.201 44.686 1.00 39.27 ? 967 HOH B O 1 HETATM 17678 O O . HOH AA 5 . ? -12.786 -14.878 39.198 1.00 31.20 ? 968 HOH B O 1 HETATM 17679 O O . HOH AA 5 . ? -15.763 -12.756 28.208 1.00 37.20 ? 969 HOH B O 1 HETATM 17680 O O . HOH AA 5 . ? -25.193 7.142 29.837 1.00 30.21 ? 972 HOH B O 1 HETATM 17681 O O . HOH AA 5 . ? -15.389 23.023 32.680 1.00 29.34 ? 980 HOH B O 1 HETATM 17682 O O . HOH AA 5 . ? -28.280 6.383 31.278 1.00 22.92 ? 982 HOH B O 1 HETATM 17683 O O . HOH AA 5 . ? -8.531 11.040 51.506 1.00 36.24 ? 987 HOH B O 1 HETATM 17684 O O . HOH AA 5 . ? -4.685 -9.641 45.756 1.00 31.34 ? 988 HOH B O 1 HETATM 17685 O O . HOH AA 5 . ? 3.035 18.866 20.911 1.00 35.06 ? 996 HOH B O 1 HETATM 17686 O O . HOH AA 5 . ? -28.933 7.944 37.544 1.00 23.16 ? 998 HOH B O 1 HETATM 17687 O O . HOH AA 5 . ? -8.451 8.551 55.014 1.00 34.91 ? 1002 HOH B O 1 HETATM 17688 O O . HOH AA 5 . ? 7.635 -3.394 37.911 1.00 32.72 ? 1012 HOH B O 1 HETATM 17689 O O . HOH AA 5 . ? -8.396 4.345 56.747 1.00 39.71 ? 1030 HOH B O 1 HETATM 17690 O O . HOH AA 5 . ? -5.460 -6.976 45.291 1.00 27.91 ? 1031 HOH B O 1 HETATM 17691 O O . HOH AA 5 . ? -4.054 -4.526 46.036 1.00 25.82 ? 1032 HOH B O 1 HETATM 17692 O O . HOH AA 5 . ? -18.049 -13.623 21.215 1.00 49.83 ? 1033 HOH B O 1 HETATM 17693 O O . HOH AA 5 . ? -20.718 -13.163 17.712 1.00 38.54 ? 1034 HOH B O 1 HETATM 17694 O O . HOH AA 5 . ? -6.484 -10.617 16.682 1.00 38.18 ? 1035 HOH B O 1 HETATM 17695 O O . HOH AA 5 . ? -4.892 14.849 10.250 1.00 33.82 ? 1036 HOH B O 1 HETATM 17696 O O . HOH AA 5 . ? -7.708 18.308 11.422 1.00 32.88 ? 1037 HOH B O 1 HETATM 17697 O O . HOH AA 5 . ? -5.468 17.066 11.056 1.00 42.70 ? 1038 HOH B O 1 HETATM 17698 O O . HOH AA 5 . ? -14.266 13.881 10.646 1.00 37.02 ? 1039 HOH B O 1 HETATM 17699 O O . HOH AA 5 . ? -23.778 2.924 42.922 1.00 39.33 ? 1041 HOH B O 1 HETATM 17700 O O . HOH AA 5 . ? -23.689 10.467 42.377 1.00 34.42 ? 1042 HOH B O 1 HETATM 17701 O O . HOH AA 5 . ? -1.933 -5.362 23.840 1.00 28.17 ? 1043 HOH B O 1 HETATM 17702 O O . HOH AA 5 . ? 4.990 16.435 34.947 1.00 46.91 ? 1044 HOH B O 1 HETATM 17703 O O . HOH AA 5 . ? 7.295 13.743 34.660 1.00 41.72 ? 1045 HOH B O 1 HETATM 17704 O O . HOH AA 5 . ? 9.611 11.702 28.265 1.00 46.12 ? 1046 HOH B O 1 HETATM 17705 O O . HOH AA 5 . ? 0.783 14.255 35.553 1.00 32.99 ? 1047 HOH B O 1 HETATM 17706 O O . HOH AA 5 . ? 2.408 16.392 32.989 1.00 42.75 ? 1048 HOH B O 1 HETATM 17707 O O . HOH AA 5 . ? 7.479 -2.430 32.928 1.00 37.78 ? 1050 HOH B O 1 HETATM 17708 O O . HOH AA 5 . ? 8.035 -2.572 35.252 1.00 43.20 ? 1051 HOH B O 1 HETATM 17709 O O . HOH AA 5 . ? 6.855 -3.842 24.118 1.00 30.43 ? 1052 HOH B O 1 HETATM 17710 O O . HOH AA 5 . ? 7.283 -2.107 19.656 1.00 35.73 ? 1053 HOH B O 1 HETATM 17711 O O . HOH AA 5 . ? -14.569 5.640 52.939 1.00 34.44 ? 1054 HOH B O 1 HETATM 17712 O O . HOH AA 5 . ? 4.751 -3.139 32.050 1.00 36.38 ? 1056 HOH B O 1 HETATM 17713 O O . HOH AA 5 . ? -16.753 12.989 48.237 1.00 35.96 ? 1057 HOH B O 1 HETATM 17714 O O . HOH AA 5 . ? -24.054 7.731 26.714 1.00 27.08 ? 1058 HOH B O 1 HETATM 17715 O O . HOH AA 5 . ? -24.865 10.870 19.947 1.00 38.08 ? 1060 HOH B O 1 HETATM 17716 O O . HOH AA 5 . ? -21.083 20.329 23.398 1.00 31.79 ? 1061 HOH B O 1 HETATM 17717 O O . HOH AA 5 . ? -19.820 16.473 19.846 1.00 34.99 ? 1062 HOH B O 1 HETATM 17718 O O . HOH AA 5 . ? -2.449 19.524 25.270 1.00 27.01 ? 1063 HOH B O 1 HETATM 17719 O O . HOH AA 5 . ? -19.277 -8.607 37.341 1.00 34.98 ? 1064 HOH B O 1 HETATM 17720 O O . HOH AA 5 . ? -11.346 -6.823 44.324 1.00 39.23 ? 1065 HOH B O 1 HETATM 17721 O O . HOH AA 5 . ? -12.251 -15.908 32.056 1.00 38.57 ? 1066 HOH B O 1 HETATM 17722 O O . HOH AA 5 . ? -12.849 -14.709 28.125 1.00 32.99 ? 1068 HOH B O 1 HETATM 17723 O O . HOH AA 5 . ? -13.640 -13.572 25.774 1.00 40.26 ? 1069 HOH B O 1 HETATM 17724 O O . HOH AA 5 . ? -24.481 -3.403 29.821 1.00 36.03 ? 1071 HOH B O 1 HETATM 17725 O O . HOH AA 5 . ? -25.526 2.252 18.504 1.00 38.35 ? 1072 HOH B O 1 HETATM 17726 O O . HOH AA 5 . ? -15.569 6.495 8.748 1.00 36.41 ? 1073 HOH B O 1 HETATM 17727 O O . HOH AA 5 . ? -7.756 -4.423 5.044 1.00 28.22 ? 1075 HOH B O 1 HETATM 17728 O O . HOH AA 5 . ? -7.719 -6.149 6.993 1.00 40.94 ? 1077 HOH B O 1 HETATM 17729 O O . HOH AA 5 . ? 11.815 7.475 19.568 1.00 33.66 ? 1100 HOH B O 1 HETATM 17730 O O . HOH AA 5 . ? 10.811 9.211 20.765 1.00 34.79 ? 1101 HOH B O 1 HETATM 17731 O O . HOH AA 5 . ? 10.908 6.637 24.687 1.00 33.98 ? 1102 HOH B O 1 HETATM 17732 O O . HOH AA 5 . ? -16.833 -12.726 15.952 1.00 40.75 ? 1294 HOH B O 1 HETATM 17733 O O . HOH AA 5 . ? -8.152 -11.005 19.335 1.00 36.35 ? 1295 HOH B O 1 HETATM 17734 O O . HOH AA 5 . ? -3.435 -11.531 12.576 1.00 39.64 ? 1296 HOH B O 1 HETATM 17735 O O . HOH AA 5 . ? -8.583 15.453 10.120 1.00 33.99 ? 1297 HOH B O 1 HETATM 17736 O O . HOH AA 5 . ? -1.478 16.707 9.873 1.00 31.28 ? 1298 HOH B O 1 HETATM 17737 O O . HOH AA 5 . ? -26.400 7.737 26.081 1.00 44.02 ? 1299 HOH B O 1 HETATM 17738 O O . HOH AA 5 . ? -29.602 4.809 29.666 1.00 34.83 ? 1300 HOH B O 1 HETATM 17739 O O . HOH AA 5 . ? 5.557 15.786 21.987 1.00 33.86 ? 1301 HOH B O 1 HETATM 17740 O O . HOH AA 5 . ? 7.402 15.067 23.739 1.00 44.31 ? 1302 HOH B O 1 HETATM 17741 O O . HOH AA 5 . ? 7.098 15.114 27.394 1.00 44.76 ? 1303 HOH B O 1 HETATM 17742 O O . HOH AA 5 . ? -27.684 13.798 31.845 1.00 31.76 ? 1305 HOH B O 1 HETATM 17743 O O . HOH AA 5 . ? -27.813 16.473 30.016 1.00 39.33 ? 1306 HOH B O 1 HETATM 17744 O O . HOH AA 5 . ? 7.223 -3.211 28.324 1.00 35.66 ? 1307 HOH B O 1 HETATM 17745 O O . HOH AA 5 . ? -17.765 0.308 49.117 1.00 32.44 ? 1308 HOH B O 1 HETATM 17746 O O . HOH AA 5 . ? -15.223 -1.151 49.388 1.00 41.39 ? 1309 HOH B O 1 HETATM 17747 O O . HOH AA 5 . ? -14.222 -3.120 51.174 1.00 47.62 ? 1310 HOH B O 1 HETATM 17748 O O . HOH AA 5 . ? -14.650 8.475 53.046 1.00 38.70 ? 1312 HOH B O 1 HETATM 17749 O O . HOH AA 5 . ? -9.059 6.105 55.453 1.00 45.94 ? 1313 HOH B O 1 HETATM 17750 O O . HOH AA 5 . ? 2.513 -6.389 23.694 1.00 40.30 ? 1315 HOH B O 1 HETATM 17751 O O . HOH AA 5 . ? 5.685 -4.357 29.963 1.00 33.43 ? 1316 HOH B O 1 HETATM 17752 O O . HOH AA 5 . ? -10.679 14.000 47.676 1.00 39.03 ? 1317 HOH B O 1 HETATM 17753 O O . HOH AA 5 . ? -12.442 12.775 49.230 1.00 37.53 ? 1318 HOH B O 1 HETATM 17754 O O . HOH AA 5 . ? -27.438 9.171 40.054 1.00 29.55 ? 1319 HOH B O 1 HETATM 17755 O O . HOH AA 5 . ? -9.396 23.402 21.901 1.00 44.29 ? 1320 HOH B O 1 HETATM 17756 O O . HOH AA 5 . ? -6.305 22.709 17.294 1.00 32.22 ? 1321 HOH B O 1 HETATM 17757 O O . HOH AA 5 . ? -21.993 -8.507 38.540 1.00 45.34 ? 1322 HOH B O 1 HETATM 17758 O O . HOH AA 5 . ? -8.463 -17.160 37.724 1.00 39.02 ? 1323 HOH B O 1 HETATM 17759 O O . HOH AA 5 . ? -11.881 -11.817 22.004 1.00 44.32 ? 1324 HOH B O 1 HETATM 17760 O O . HOH AA 5 . ? -16.647 -15.364 28.529 1.00 47.74 ? 1325 HOH B O 1 HETATM 17761 O O . HOH AA 5 . ? -24.317 5.476 14.582 1.00 39.04 ? 1326 HOH B O 1 HETATM 17762 O O . HOH AA 5 . ? -3.195 20.946 30.820 1.00 42.39 ? 1363 HOH B O 1 HETATM 17763 O O . HOH AA 5 . ? -2.696 22.548 22.915 1.00 36.42 ? 1364 HOH B O 1 HETATM 17764 O O . HOH AA 5 . ? -6.071 22.917 20.183 1.00 41.73 ? 1365 HOH B O 1 HETATM 17765 O O . HOH AA 5 . ? -5.895 23.483 23.056 1.00 43.00 ? 1366 HOH B O 1 HETATM 17766 O O . HOH AA 5 . ? -8.349 22.881 30.407 1.00 40.87 ? 1367 HOH B O 1 HETATM 17767 O O . HOH AA 5 . ? -9.762 23.587 24.984 1.00 40.62 ? 1368 HOH B O 1 HETATM 17768 O O . HOH AA 5 . ? -14.670 24.514 21.270 1.00 37.05 ? 1370 HOH B O 1 HETATM 17769 O O . HOH AA 5 . ? -11.869 21.848 30.391 1.00 30.99 ? 1374 HOH B O 1 HETATM 17770 O O . HOH AA 5 . ? -18.740 23.005 28.840 1.00 41.60 ? 1376 HOH B O 1 HETATM 17771 O O . HOH AA 5 . ? -7.243 12.673 48.043 1.00 34.36 ? 1379 HOH B O 1 HETATM 17772 O O . HOH AA 5 . ? -2.625 -13.006 39.426 1.00 28.87 ? 1382 HOH B O 1 HETATM 17773 O O . HOH AA 5 . ? -28.425 1.134 26.083 1.00 27.23 ? 1386 HOH B O 1 HETATM 17774 O O . HOH AA 5 . ? -14.719 -0.072 6.983 1.00 37.14 ? 1388 HOH B O 1 HETATM 17775 O O . HOH AA 5 . ? -7.285 10.899 56.109 1.00 40.43 ? 1391 HOH B O 1 HETATM 17776 O O . HOH AA 5 . ? -3.547 18.183 12.129 1.00 34.94 ? 1395 HOH B O 1 HETATM 17777 O O . HOH AA 5 . ? -5.808 19.631 32.493 1.00 31.02 ? 1396 HOH B O 1 HETATM 17778 O O . HOH AA 5 . ? -7.314 -10.327 22.100 1.00 29.97 ? 1397 HOH B O 1 HETATM 17779 O O . HOH AA 5 . ? 9.969 -2.718 28.374 1.00 36.66 ? 1416 HOH B O 1 HETATM 17780 O O . HOH AA 5 . ? -11.436 -2.417 50.398 1.00 37.78 ? 1435 HOH B O 1 HETATM 17781 O O . HOH AA 5 . ? -20.796 9.911 23.877 1.00 33.26 ? 1446 HOH B O 1 HETATM 17782 O O . HOH AA 5 . ? 5.592 -1.863 30.126 1.00 31.38 ? 1452 HOH B O 1 HETATM 17783 O O . HOH AA 5 . ? -21.346 -8.865 29.262 1.00 31.75 ? 1456 HOH B O 1 HETATM 17784 O O . HOH AA 5 . ? -18.381 -11.773 34.624 1.00 33.87 ? 1458 HOH B O 1 HETATM 17785 O O . HOH AA 5 . ? 1.288 4.737 46.931 1.00 35.67 ? 1462 HOH B O 1 HETATM 17786 O O . HOH AA 5 . ? -15.819 -5.294 10.644 1.00 29.24 ? 1479 HOH B O 1 HETATM 17787 O O . HOH AA 5 . ? -12.958 -5.941 10.407 1.00 29.11 ? 1480 HOH B O 1 HETATM 17788 O O . HOH AA 5 . ? -24.550 9.006 21.825 1.00 41.26 ? 1481 HOH B O 1 HETATM 17789 O O . HOH AA 5 . ? -25.610 8.894 23.979 1.00 47.24 ? 1482 HOH B O 1 HETATM 17790 O O . HOH AA 5 . ? -21.302 -1.195 42.560 1.00 44.28 ? 1483 HOH B O 1 HETATM 17791 O O . HOH AA 5 . ? 1.050 -7.037 21.319 1.00 28.00 ? 1484 HOH B O 1 HETATM 17792 O O . HOH AA 5 . ? 7.791 -6.122 36.002 1.00 39.74 ? 1485 HOH B O 1 HETATM 17793 O O . HOH AA 5 . ? -21.671 13.750 21.536 1.00 34.33 ? 1486 HOH B O 1 HETATM 17794 O O . HOH AA 5 . ? -2.962 -11.370 24.568 1.00 43.17 ? 1487 HOH B O 1 HETATM 17795 O O . HOH AA 5 . ? -16.052 -15.012 26.004 1.00 45.08 ? 1488 HOH B O 1 HETATM 17796 O O . HOH AA 5 . ? -23.066 -6.516 28.836 1.00 39.15 ? 1489 HOH B O 1 HETATM 17797 O O . HOH AA 5 . ? -14.867 -14.225 21.134 1.00 44.25 ? 1490 HOH B O 1 HETATM 17798 O O . HOH AA 5 . ? -23.542 -0.529 15.841 1.00 44.23 ? 1491 HOH B O 1 HETATM 17799 O O . HOH BA 5 . ? -5.973 -2.503 5.698 1.00 14.48 ? 208 HOH C O 1 HETATM 17800 O O . HOH BA 5 . ? 12.843 5.971 -5.105 1.00 9.99 ? 209 HOH C O 1 HETATM 17801 O O . HOH BA 5 . ? -1.601 -3.215 10.574 1.00 13.63 ? 210 HOH C O 1 HETATM 17802 O O . HOH BA 5 . ? -0.404 15.256 4.170 1.00 13.17 ? 211 HOH C O 1 HETATM 17803 O O . HOH BA 5 . ? 19.104 6.098 9.192 1.00 18.89 ? 212 HOH C O 1 HETATM 17804 O O . HOH BA 5 . ? -1.420 -5.152 4.550 1.00 13.29 ? 213 HOH C O 1 HETATM 17805 O O . HOH BA 5 . ? 2.062 15.667 2.252 1.00 19.41 ? 214 HOH C O 1 HETATM 17806 O O . HOH BA 5 . ? 20.371 7.363 11.185 1.00 19.14 ? 215 HOH C O 1 HETATM 17807 O O . HOH BA 5 . ? 14.970 3.912 -3.872 1.00 10.92 ? 216 HOH C O 1 HETATM 17808 O O . HOH BA 5 . ? -3.103 -7.062 6.873 1.00 22.41 ? 217 HOH C O 1 HETATM 17809 O O . HOH BA 5 . ? 15.334 1.384 7.081 1.00 15.07 ? 218 HOH C O 1 HETATM 17810 O O . HOH BA 5 . ? 17.679 1.616 10.644 1.00 17.33 ? 219 HOH C O 1 HETATM 17811 O O . HOH BA 5 . ? 24.488 4.592 -7.044 1.00 12.88 ? 220 HOH C O 1 HETATM 17812 O O . HOH BA 5 . ? -4.226 11.652 7.082 1.00 25.84 ? 221 HOH C O 1 HETATM 17813 O O . HOH BA 5 . ? 8.197 -5.540 -14.074 1.00 19.57 ? 222 HOH C O 1 HETATM 17814 O O . HOH BA 5 . ? 26.111 -6.132 1.605 1.00 9.92 ? 223 HOH C O 1 HETATM 17815 O O . HOH BA 5 . ? 16.506 -3.434 13.211 1.00 17.10 ? 224 HOH C O 1 HETATM 17816 O O . HOH BA 5 . ? -3.146 15.322 4.399 1.00 18.85 ? 225 HOH C O 1 HETATM 17817 O O . HOH BA 5 . ? 16.784 6.395 7.901 1.00 19.18 ? 226 HOH C O 1 HETATM 17818 O O . HOH BA 5 . ? 17.068 12.345 8.279 1.00 17.48 ? 227 HOH C O 1 HETATM 17819 O O . HOH BA 5 . ? 13.499 17.619 -4.404 1.00 13.53 ? 228 HOH C O 1 HETATM 17820 O O . HOH BA 5 . ? 12.197 17.963 -1.182 1.00 18.37 ? 229 HOH C O 1 HETATM 17821 O O . HOH BA 5 . ? 3.214 -12.497 0.055 1.00 11.19 ? 230 HOH C O 1 HETATM 17822 O O . HOH BA 5 . ? 11.563 16.473 1.246 1.00 21.03 ? 231 HOH C O 1 HETATM 17823 O O . HOH BA 5 . ? 28.373 7.935 -1.738 1.00 15.74 ? 232 HOH C O 1 HETATM 17824 O O . HOH BA 5 . ? 29.181 10.068 -4.801 1.00 22.93 ? 233 HOH C O 1 HETATM 17825 O O . HOH BA 5 . ? 26.223 10.205 1.426 1.00 20.70 ? 234 HOH C O 1 HETATM 17826 O O . HOH BA 5 . ? 0.256 12.609 8.410 1.00 20.61 ? 235 HOH C O 1 HETATM 17827 O O . HOH BA 5 . ? 23.618 10.443 5.675 1.00 10.38 ? 236 HOH C O 1 HETATM 17828 O O . HOH BA 5 . ? 30.166 8.197 6.085 1.00 25.14 ? 237 HOH C O 1 HETATM 17829 O O . HOH BA 5 . ? 3.522 15.791 -1.609 1.00 14.02 ? 238 HOH C O 1 HETATM 17830 O O . HOH BA 5 . ? 20.792 6.027 -6.191 1.00 11.54 ? 239 HOH C O 1 HETATM 17831 O O . HOH BA 5 . ? 25.358 2.833 14.624 1.00 24.41 ? 240 HOH C O 1 HETATM 17832 O O . HOH BA 5 . ? 0.354 -1.345 9.943 1.00 12.04 ? 241 HOH C O 1 HETATM 17833 O O . HOH BA 5 . ? 24.105 3.290 2.290 1.00 9.60 ? 242 HOH C O 1 HETATM 17834 O O . HOH BA 5 . ? -6.144 12.688 2.950 1.00 28.61 ? 243 HOH C O 1 HETATM 17835 O O . HOH BA 5 . ? 16.323 8.577 6.537 1.00 14.66 ? 244 HOH C O 1 HETATM 17836 O O . HOH BA 5 . ? 0.229 10.100 9.741 1.00 13.13 ? 245 HOH C O 1 HETATM 17837 O O . HOH BA 5 . ? 18.613 -0.182 5.896 1.00 9.25 ? 246 HOH C O 1 HETATM 17838 O O . HOH BA 5 . ? 18.310 9.289 10.659 1.00 14.50 ? 247 HOH C O 1 HETATM 17839 O O . HOH BA 5 . ? 4.380 9.292 13.099 1.00 16.53 ? 248 HOH C O 1 HETATM 17840 O O . HOH BA 5 . ? 17.593 14.773 5.470 1.00 23.55 ? 249 HOH C O 1 HETATM 17841 O O . HOH BA 5 . ? 13.417 14.965 -6.732 1.00 11.34 ? 250 HOH C O 1 HETATM 17842 O O . HOH BA 5 . ? 9.509 14.503 4.171 1.00 18.77 ? 251 HOH C O 1 HETATM 17843 O O . HOH BA 5 . ? -5.796 -5.078 9.132 1.00 24.57 ? 252 HOH C O 1 HETATM 17844 O O . HOH BA 5 . ? 24.421 -8.128 -1.157 1.00 11.39 ? 253 HOH C O 1 HETATM 17845 O O . HOH BA 5 . ? 3.812 2.822 14.442 1.00 8.40 ? 254 HOH C O 1 HETATM 17846 O O . HOH BA 5 . ? -4.261 -1.256 3.960 1.00 10.47 ? 255 HOH C O 1 HETATM 17847 O O . HOH BA 5 . ? -0.055 13.437 -6.890 1.00 11.19 ? 256 HOH C O 1 HETATM 17848 O O . HOH BA 5 . ? -1.391 -2.267 13.215 1.00 9.75 ? 257 HOH C O 1 HETATM 17849 O O . HOH BA 5 . ? 16.540 11.793 -5.979 1.00 9.29 ? 258 HOH C O 1 HETATM 17850 O O . HOH BA 5 . ? 7.762 10.277 -6.089 1.00 11.42 ? 259 HOH C O 1 HETATM 17851 O O . HOH BA 5 . ? 7.745 -6.698 6.964 1.00 8.65 ? 260 HOH C O 1 HETATM 17852 O O . HOH BA 5 . ? 29.861 5.592 -2.192 1.00 13.92 ? 261 HOH C O 1 HETATM 17853 O O . HOH BA 5 . ? 25.571 5.657 2.220 1.00 12.75 ? 263 HOH C O 1 HETATM 17854 O O . HOH BA 5 . ? 0.916 2.155 8.994 1.00 12.16 ? 269 HOH C O 1 HETATM 17855 O O . HOH BA 5 . ? -3.155 -9.124 -5.601 1.00 16.68 ? 270 HOH C O 1 HETATM 17856 O O . HOH BA 5 . ? 19.360 4.002 6.411 1.00 12.41 ? 272 HOH C O 1 HETATM 17857 O O . HOH BA 5 . ? 9.552 -9.128 -0.064 1.00 12.28 ? 274 HOH C O 1 HETATM 17858 O O . HOH BA 5 . ? 22.772 7.764 -6.326 1.00 12.61 ? 275 HOH C O 1 HETATM 17859 O O . HOH BA 5 . ? 26.020 -2.479 9.180 1.00 11.72 ? 287 HOH C O 1 HETATM 17860 O O . HOH BA 5 . ? 16.535 1.275 4.538 1.00 12.65 ? 292 HOH C O 1 HETATM 17861 O O . HOH BA 5 . ? 18.377 -14.922 -10.064 1.00 17.17 ? 294 HOH C O 1 HETATM 17862 O O . HOH BA 5 . ? 0.770 -18.930 7.937 1.00 14.64 ? 303 HOH C O 1 HETATM 17863 O O . HOH BA 5 . ? 15.703 -3.431 10.597 1.00 14.80 ? 311 HOH C O 1 HETATM 17864 O O . HOH BA 5 . ? 7.247 -7.734 -12.741 1.00 12.87 ? 321 HOH C O 1 HETATM 17865 O O . HOH BA 5 . ? 2.663 -17.293 6.685 1.00 15.45 ? 322 HOH C O 1 HETATM 17866 O O . HOH BA 5 . ? 5.012 13.965 -12.314 1.00 16.30 ? 323 HOH C O 1 HETATM 17867 O O . HOH BA 5 . ? 8.792 3.161 -14.911 1.00 17.54 ? 324 HOH C O 1 HETATM 17868 O O . HOH BA 5 . ? 19.077 -2.064 -18.079 1.00 19.13 ? 328 HOH C O 1 HETATM 17869 O O . HOH BA 5 . ? 19.915 1.008 8.143 1.00 12.07 ? 333 HOH C O 1 HETATM 17870 O O . HOH BA 5 . ? 26.805 7.748 0.603 1.00 14.62 ? 336 HOH C O 1 HETATM 17871 O O . HOH BA 5 . ? -2.706 12.661 5.045 1.00 16.43 ? 339 HOH C O 1 HETATM 17872 O O . HOH BA 5 . ? -7.514 -5.940 -1.195 1.00 18.34 ? 341 HOH C O 1 HETATM 17873 O O . HOH BA 5 . ? 16.745 -0.221 8.867 1.00 15.48 ? 342 HOH C O 1 HETATM 17874 O O . HOH BA 5 . ? 26.414 6.578 4.799 1.00 13.07 ? 352 HOH C O 1 HETATM 17875 O O . HOH BA 5 . ? 1.047 10.269 12.310 1.00 15.34 ? 356 HOH C O 1 HETATM 17876 O O . HOH BA 5 . ? 25.239 -2.678 11.824 1.00 17.13 ? 358 HOH C O 1 HETATM 17877 O O . HOH BA 5 . ? 15.062 -7.824 7.883 1.00 23.29 ? 360 HOH C O 1 HETATM 17878 O O . HOH BA 5 . ? 15.206 7.194 -16.974 1.00 15.53 ? 361 HOH C O 1 HETATM 17879 O O . HOH BA 5 . ? -10.714 -0.214 -1.538 1.00 14.91 ? 369 HOH C O 1 HETATM 17880 O O . HOH BA 5 . ? 25.207 -5.334 -12.941 1.00 16.45 ? 372 HOH C O 1 HETATM 17881 O O . HOH BA 5 . ? 11.534 -13.295 -1.715 1.00 19.30 ? 374 HOH C O 1 HETATM 17882 O O . HOH BA 5 . ? 16.426 -14.276 -15.603 1.00 13.96 ? 467 HOH C O 1 HETATM 17883 O O . HOH BA 5 . ? 16.811 -9.980 -3.192 1.00 16.27 ? 468 HOH C O 1 HETATM 17884 O O . HOH BA 5 . ? 14.902 -13.681 0.147 1.00 23.20 ? 469 HOH C O 1 HETATM 17885 O O . HOH BA 5 . ? 25.504 13.052 -9.628 1.00 21.95 ? 470 HOH C O 1 HETATM 17886 O O . HOH BA 5 . ? 20.580 17.381 -6.705 1.00 19.98 ? 471 HOH C O 1 HETATM 17887 O O . HOH BA 5 . ? 17.034 14.807 -12.883 1.00 19.00 ? 472 HOH C O 1 HETATM 17888 O O . HOH BA 5 . ? 19.509 13.528 -13.046 1.00 23.70 ? 473 HOH C O 1 HETATM 17889 O O . HOH BA 5 . ? -4.151 -2.469 -15.213 1.00 42.90 ? 474 HOH C O 1 HETATM 17890 O O . HOH BA 5 . ? -6.355 -2.326 -6.957 1.00 21.10 ? 475 HOH C O 1 HETATM 17891 O O . HOH BA 5 . ? -7.884 -5.564 -4.870 1.00 21.88 ? 476 HOH C O 1 HETATM 17892 O O . HOH BA 5 . ? -3.020 -12.175 -0.811 1.00 31.68 ? 477 HOH C O 1 HETATM 17893 O O . HOH BA 5 . ? 24.829 7.752 8.258 1.00 18.96 ? 478 HOH C O 1 HETATM 17894 O O . HOH BA 5 . ? 18.017 15.035 2.582 1.00 21.72 ? 479 HOH C O 1 HETATM 17895 O O . HOH BA 5 . ? 14.932 17.597 -0.927 1.00 23.12 ? 480 HOH C O 1 HETATM 17896 O O . HOH BA 5 . ? 13.448 15.253 2.963 1.00 21.29 ? 481 HOH C O 1 HETATM 17897 O O . HOH BA 5 . ? 15.800 7.685 -3.842 1.00 17.75 ? 482 HOH C O 1 HETATM 17898 O O . HOH BA 5 . ? -1.712 11.373 -14.086 1.00 20.01 ? 483 HOH C O 1 HETATM 17899 O O . HOH BA 5 . ? 0.726 8.955 -16.613 1.00 18.55 ? 484 HOH C O 1 HETATM 17900 O O . HOH BA 5 . ? 4.567 15.420 -14.798 1.00 19.87 ? 485 HOH C O 1 HETATM 17901 O O . HOH BA 5 . ? 4.421 16.769 -11.587 1.00 24.01 ? 486 HOH C O 1 HETATM 17902 O O . HOH BA 5 . ? 6.902 15.687 -16.327 1.00 20.29 ? 487 HOH C O 1 HETATM 17903 O O . HOH BA 5 . ? -5.989 11.763 -9.426 1.00 20.19 ? 488 HOH C O 1 HETATM 17904 O O . HOH BA 5 . ? -7.500 9.471 -9.374 1.00 20.33 ? 489 HOH C O 1 HETATM 17905 O O . HOH BA 5 . ? -9.677 9.497 -7.506 1.00 19.56 ? 490 HOH C O 1 HETATM 17906 O O . HOH BA 5 . ? 17.855 -6.567 10.417 1.00 26.08 ? 491 HOH C O 1 HETATM 17907 O O . HOH BA 5 . ? 18.807 -9.653 7.153 1.00 26.30 ? 492 HOH C O 1 HETATM 17908 O O . HOH BA 5 . ? -12.743 3.426 -3.035 1.00 24.21 ? 493 HOH C O 1 HETATM 17909 O O . HOH BA 5 . ? -8.636 9.146 4.450 1.00 19.78 ? 494 HOH C O 1 HETATM 17910 O O . HOH BA 5 . ? -11.490 10.238 5.320 1.00 28.78 ? 495 HOH C O 1 HETATM 17911 O O . HOH BA 5 . ? -14.879 8.253 6.779 1.00 25.51 ? 496 HOH C O 1 HETATM 17912 O O . HOH BA 5 . ? 3.658 -10.077 13.215 1.00 25.99 ? 497 HOH C O 1 HETATM 17913 O O . HOH BA 5 . ? 8.710 -10.661 13.010 1.00 34.55 ? 498 HOH C O 1 HETATM 17914 O O . HOH BA 5 . ? -1.972 8.996 -15.642 1.00 27.91 ? 499 HOH C O 1 HETATM 17915 O O . HOH BA 5 . ? 22.669 15.746 1.268 1.00 34.38 ? 500 HOH C O 1 HETATM 17916 O O . HOH BA 5 . ? 13.106 -13.067 -4.635 1.00 25.58 ? 501 HOH C O 1 HETATM 17917 O O . HOH BA 5 . ? 16.052 -13.024 -3.035 1.00 20.99 ? 502 HOH C O 1 HETATM 17918 O O . HOH BA 5 . ? -4.560 -9.945 -0.827 1.00 24.26 ? 503 HOH C O 1 HETATM 17919 O O . HOH BA 5 . ? -3.554 -13.564 7.708 1.00 17.16 ? 504 HOH C O 1 HETATM 17920 O O . HOH BA 5 . ? 8.173 -19.147 4.479 1.00 20.54 ? 505 HOH C O 1 HETATM 17921 O O . HOH BA 5 . ? 7.552 -17.705 -2.970 1.00 23.68 ? 506 HOH C O 1 HETATM 17922 O O . HOH BA 5 . ? 3.743 -10.717 -12.103 1.00 19.47 ? 507 HOH C O 1 HETATM 17923 O O . HOH BA 5 . ? 22.994 4.575 -18.276 1.00 34.35 ? 508 HOH C O 1 HETATM 17924 O O . HOH BA 5 . ? 24.736 -2.819 -14.042 1.00 23.15 ? 509 HOH C O 1 HETATM 17925 O O . HOH BA 5 . ? 21.534 -13.665 2.070 1.00 31.47 ? 510 HOH C O 1 HETATM 17926 O O . HOH BA 5 . ? 6.879 17.921 -4.166 1.00 20.90 ? 608 HOH C O 1 HETATM 17927 O O . HOH BA 5 . ? 3.991 18.679 -0.580 1.00 19.92 ? 609 HOH C O 1 HETATM 17928 O O . HOH BA 5 . ? 10.819 -11.676 0.234 1.00 20.51 ? 613 HOH C O 1 HETATM 17929 O O . HOH BA 5 . ? -8.987 11.969 -1.445 1.00 21.63 ? 620 HOH C O 1 HETATM 17930 O O . HOH BA 5 . ? 3.031 12.313 11.575 1.00 21.24 ? 629 HOH C O 1 HETATM 17931 O O . HOH BA 5 . ? 14.216 -6.414 -17.449 1.00 25.45 ? 636 HOH C O 1 HETATM 17932 O O . HOH BA 5 . ? 23.088 -9.859 7.544 1.00 26.61 ? 640 HOH C O 1 HETATM 17933 O O . HOH BA 5 . ? 21.190 0.908 16.696 1.00 23.50 ? 646 HOH C O 1 HETATM 17934 O O . HOH BA 5 . ? 17.225 -14.860 -1.410 1.00 26.67 ? 650 HOH C O 1 HETATM 17935 O O . HOH BA 5 . ? -7.509 13.995 -8.439 1.00 26.05 ? 662 HOH C O 1 HETATM 17936 O O . HOH BA 5 . ? -3.912 15.498 -12.509 1.00 22.83 ? 665 HOH C O 1 HETATM 17937 O O . HOH BA 5 . ? 5.402 -3.577 18.164 1.00 31.93 ? 667 HOH C O 1 HETATM 17938 O O . HOH BA 5 . ? 5.477 11.812 12.547 1.00 20.71 ? 668 HOH C O 1 HETATM 17939 O O . HOH BA 5 . ? 26.012 -14.310 3.042 1.00 19.71 ? 669 HOH C O 1 HETATM 17940 O O . HOH BA 5 . ? 17.959 3.566 8.918 1.00 23.31 ? 674 HOH C O 1 HETATM 17941 O O . HOH BA 5 . ? -15.194 4.718 0.889 1.00 29.84 ? 675 HOH C O 1 HETATM 17942 O O . HOH BA 5 . ? 13.173 19.017 -8.215 1.00 22.58 ? 679 HOH C O 1 HETATM 17943 O O . HOH BA 5 . ? 3.117 12.651 8.664 1.00 22.95 ? 680 HOH C O 1 HETATM 17944 O O . HOH BA 5 . ? -5.953 -7.808 8.474 1.00 30.18 ? 687 HOH C O 1 HETATM 17945 O O . HOH BA 5 . ? 3.444 -4.330 16.761 1.00 25.04 ? 688 HOH C O 1 HETATM 17946 O O . HOH BA 5 . ? 20.791 7.071 13.908 1.00 28.21 ? 689 HOH C O 1 HETATM 17947 O O . HOH BA 5 . ? 14.076 3.369 15.599 1.00 21.44 ? 695 HOH C O 1 HETATM 17948 O O . HOH BA 5 . ? -1.496 17.433 -10.385 1.00 22.64 ? 698 HOH C O 1 HETATM 17949 O O . HOH BA 5 . ? 20.964 -6.103 -16.042 1.00 27.95 ? 700 HOH C O 1 HETATM 17950 O O . HOH BA 5 . ? -0.972 -11.767 -7.604 1.00 28.97 ? 709 HOH C O 1 HETATM 17951 O O . HOH BA 5 . ? -15.852 5.066 6.511 1.00 37.87 ? 722 HOH C O 1 HETATM 17952 O O . HOH BA 5 . ? 31.620 -9.984 -6.554 1.00 29.36 ? 726 HOH C O 1 HETATM 17953 O O . HOH BA 5 . ? 18.327 -5.584 12.931 1.00 30.85 ? 732 HOH C O 1 HETATM 17954 O O . HOH BA 5 . ? -14.345 6.502 -4.669 1.00 32.06 ? 741 HOH C O 1 HETATM 17955 O O . HOH BA 5 . ? 14.553 9.320 14.451 1.00 32.33 ? 742 HOH C O 1 HETATM 17956 O O . HOH BA 5 . ? 31.761 8.339 -8.413 1.00 29.18 ? 748 HOH C O 1 HETATM 17957 O O . HOH BA 5 . ? 20.822 -15.812 -7.335 1.00 26.97 ? 750 HOH C O 1 HETATM 17958 O O . HOH BA 5 . ? 31.185 8.709 -5.721 1.00 23.13 ? 757 HOH C O 1 HETATM 17959 O O . HOH BA 5 . ? 5.398 13.350 14.807 1.00 31.03 ? 758 HOH C O 1 HETATM 17960 O O . HOH BA 5 . ? 24.731 -12.574 6.181 1.00 27.57 ? 762 HOH C O 1 HETATM 17961 O O . HOH BA 5 . ? 10.693 5.789 15.912 1.00 25.59 ? 765 HOH C O 1 HETATM 17962 O O . HOH BA 5 . ? -8.729 -7.453 -3.059 1.00 28.10 ? 769 HOH C O 1 HETATM 17963 O O . HOH BA 5 . ? 19.237 -12.740 -13.018 1.00 25.33 ? 772 HOH C O 1 HETATM 17964 O O . HOH BA 5 . ? 25.384 -15.906 0.935 1.00 31.52 ? 774 HOH C O 1 HETATM 17965 O O . HOH BA 5 . ? 19.990 15.558 6.837 1.00 33.46 ? 784 HOH C O 1 HETATM 17966 O O . HOH BA 5 . ? 21.339 -3.713 -17.423 1.00 33.95 ? 786 HOH C O 1 HETATM 17967 O O . HOH BA 5 . ? 15.754 -16.297 -17.108 1.00 27.19 ? 787 HOH C O 1 HETATM 17968 O O . HOH BA 5 . ? 11.988 7.100 -15.319 1.00 24.19 ? 788 HOH C O 1 HETATM 17969 O O . HOH BA 5 . ? 11.220 8.769 15.664 1.00 35.04 ? 791 HOH C O 1 HETATM 17970 O O . HOH BA 5 . ? -6.370 -8.436 3.420 1.00 24.81 ? 792 HOH C O 1 HETATM 17971 O O . HOH BA 5 . ? 22.057 -14.962 -2.849 1.00 33.70 ? 793 HOH C O 1 HETATM 17972 O O . HOH BA 5 . ? -1.153 -14.211 -4.674 1.00 28.03 ? 797 HOH C O 1 HETATM 17973 O O . HOH BA 5 . ? -8.846 -3.995 0.012 1.00 28.79 ? 810 HOH C O 1 HETATM 17974 O O . HOH BA 5 . ? 0.964 9.011 -19.399 1.00 30.97 ? 812 HOH C O 1 HETATM 17975 O O . HOH BA 5 . ? 24.323 13.649 1.676 1.00 32.67 ? 816 HOH C O 1 HETATM 17976 O O . HOH BA 5 . ? 30.233 8.400 3.327 1.00 28.78 ? 820 HOH C O 1 HETATM 17977 O O . HOH BA 5 . ? 29.422 10.587 -1.810 1.00 34.46 ? 834 HOH C O 1 HETATM 17978 O O . HOH BA 5 . ? 27.776 11.230 -8.180 1.00 38.65 ? 864 HOH C O 1 HETATM 17979 O O . HOH BA 5 . ? -9.736 1.337 -11.140 1.00 33.39 ? 865 HOH C O 1 HETATM 17980 O O . HOH BA 5 . ? -7.860 -1.087 -8.845 1.00 34.39 ? 866 HOH C O 1 HETATM 17981 O O . HOH BA 5 . ? -14.178 1.890 5.120 1.00 31.43 ? 867 HOH C O 1 HETATM 17982 O O . HOH BA 5 . ? 12.440 -5.555 13.869 1.00 32.98 ? 868 HOH C O 1 HETATM 17983 O O . HOH BA 5 . ? 5.781 0.895 -17.136 1.00 47.46 ? 869 HOH C O 1 HETATM 17984 O O . HOH BA 5 . ? 10.241 4.585 -16.480 1.00 33.07 ? 871 HOH C O 1 HETATM 17985 O O . HOH BA 5 . ? 20.185 18.633 -4.195 1.00 32.67 ? 872 HOH C O 1 HETATM 17986 O O . HOH BA 5 . ? 4.645 -8.285 -12.940 1.00 31.26 ? 873 HOH C O 1 HETATM 17987 O O . HOH BA 5 . ? 6.643 -10.318 -15.549 1.00 28.80 ? 874 HOH C O 1 HETATM 17988 O O . HOH BA 5 . ? 13.338 -3.392 -19.757 1.00 33.94 ? 875 HOH C O 1 HETATM 17989 O O . HOH BA 5 . ? 24.467 8.058 -13.506 1.00 40.23 ? 876 HOH C O 1 HETATM 17990 O O . HOH BA 5 . ? 10.326 9.832 17.843 1.00 30.37 ? 910 HOH C O 1 HETATM 17991 O O . HOH BA 5 . ? 9.507 19.888 -2.834 1.00 30.79 ? 913 HOH C O 1 HETATM 17992 O O . HOH BA 5 . ? 23.838 12.732 7.010 1.00 36.92 ? 916 HOH C O 1 HETATM 17993 O O . HOH BA 5 . ? 13.420 -15.570 -1.164 1.00 32.57 ? 918 HOH C O 1 HETATM 17994 O O . HOH BA 5 . ? -4.053 12.736 -14.204 1.00 36.73 ? 919 HOH C O 1 HETATM 17995 O O . HOH BA 5 . ? 6.217 -19.740 6.375 1.00 29.58 ? 920 HOH C O 1 HETATM 17996 O O . HOH BA 5 . ? 5.701 -16.095 -5.550 1.00 35.20 ? 921 HOH C O 1 HETATM 17997 O O . HOH BA 5 . ? 12.510 13.705 6.839 1.00 20.35 ? 928 HOH C O 1 HETATM 17998 O O . HOH BA 5 . ? -12.315 0.447 -3.932 1.00 27.01 ? 938 HOH C O 1 HETATM 17999 O O . HOH BA 5 . ? 24.833 -11.241 -9.535 1.00 29.21 ? 946 HOH C O 1 HETATM 18000 O O . HOH BA 5 . ? 23.755 -2.770 -16.623 1.00 39.40 ? 947 HOH C O 1 HETATM 18001 O O . HOH BA 5 . ? 11.735 15.550 -16.437 1.00 29.62 ? 955 HOH C O 1 HETATM 18002 O O . HOH BA 5 . ? -13.487 -0.689 3.368 1.00 32.06 ? 957 HOH C O 1 HETATM 18003 O O . HOH BA 5 . ? -3.738 18.035 -11.753 1.00 28.81 ? 961 HOH C O 1 HETATM 18004 O O . HOH BA 5 . ? 12.421 -3.133 13.529 1.00 28.08 ? 976 HOH C O 1 HETATM 18005 O O . HOH BA 5 . ? 15.794 16.494 1.676 1.00 28.66 ? 977 HOH C O 1 HETATM 18006 O O . HOH BA 5 . ? 18.036 -18.152 -16.561 1.00 36.55 ? 992 HOH C O 1 HETATM 18007 O O . HOH BA 5 . ? 16.784 -17.873 -10.087 1.00 34.67 ? 997 HOH C O 1 HETATM 18008 O O . HOH BA 5 . ? -15.370 11.003 7.843 1.00 39.22 ? 1040 HOH C O 1 HETATM 18009 O O . HOH BA 5 . ? -8.433 -6.212 3.239 1.00 42.42 ? 1076 HOH C O 1 HETATM 18010 O O . HOH BA 5 . ? 13.104 -18.524 -9.478 1.00 31.08 ? 1079 HOH C O 1 HETATM 18011 O O . HOH BA 5 . ? 23.066 -15.944 -11.621 1.00 38.43 ? 1080 HOH C O 1 HETATM 18012 O O . HOH BA 5 . ? 23.703 -11.029 -12.092 1.00 33.98 ? 1081 HOH C O 1 HETATM 18013 O O . HOH BA 5 . ? 25.885 14.187 -12.121 1.00 37.51 ? 1082 HOH C O 1 HETATM 18014 O O . HOH BA 5 . ? 6.626 3.086 -16.656 1.00 35.00 ? 1083 HOH C O 1 HETATM 18015 O O . HOH BA 5 . ? 6.316 -5.031 -17.639 1.00 31.71 ? 1084 HOH C O 1 HETATM 18016 O O . HOH BA 5 . ? 1.541 1.631 -17.927 1.00 40.97 ? 1085 HOH C O 1 HETATM 18017 O O . HOH BA 5 . ? 5.992 1.365 -14.778 1.00 30.45 ? 1086 HOH C O 1 HETATM 18018 O O . HOH BA 5 . ? 28.158 9.845 6.790 1.00 36.52 ? 1087 HOH C O 1 HETATM 18019 O O . HOH BA 5 . ? 21.163 13.498 8.672 1.00 37.09 ? 1089 HOH C O 1 HETATM 18020 O O . HOH BA 5 . ? -2.432 15.258 -14.633 1.00 32.51 ? 1090 HOH C O 1 HETATM 18021 O O . HOH BA 5 . ? 16.326 13.735 12.137 1.00 39.37 ? 1092 HOH C O 1 HETATM 18022 O O . HOH BA 5 . ? 18.175 11.250 12.503 1.00 35.39 ? 1093 HOH C O 1 HETATM 18023 O O . HOH BA 5 . ? 19.552 5.197 15.664 1.00 29.93 ? 1094 HOH C O 1 HETATM 18024 O O . HOH BA 5 . ? 23.535 7.469 13.991 1.00 38.25 ? 1095 HOH C O 1 HETATM 18025 O O . HOH BA 5 . ? 25.321 5.666 14.495 1.00 38.69 ? 1096 HOH C O 1 HETATM 18026 O O . HOH BA 5 . ? 1.398 16.996 4.512 1.00 34.23 ? 1097 HOH C O 1 HETATM 18027 O O . HOH BA 5 . ? 7.735 12.440 11.376 1.00 31.75 ? 1098 HOH C O 1 HETATM 18028 O O . HOH BA 5 . ? 9.717 13.029 14.396 1.00 44.47 ? 1099 HOH C O 1 HETATM 18029 O O . HOH BA 5 . ? 14.678 -4.274 14.713 1.00 35.26 ? 1103 HOH C O 1 HETATM 18030 O O . HOH BA 5 . ? 15.410 -3.632 17.276 1.00 36.10 ? 1104 HOH C O 1 HETATM 18031 O O . HOH BA 5 . ? 22.920 -4.443 11.742 1.00 32.15 ? 1105 HOH C O 1 HETATM 18032 O O . HOH BA 5 . ? 22.541 -3.193 18.897 1.00 36.72 ? 1107 HOH C O 1 HETATM 18033 O O . HOH BA 5 . ? 23.170 -5.437 16.981 1.00 34.96 ? 1108 HOH C O 1 HETATM 18034 O O . HOH BA 5 . ? 10.298 -4.374 13.682 1.00 37.15 ? 1110 HOH C O 1 HETATM 18035 O O . HOH BA 5 . ? -7.958 7.933 -11.652 1.00 39.24 ? 1112 HOH C O 1 HETATM 18036 O O . HOH BA 5 . ? 16.683 7.105 -19.326 1.00 37.61 ? 1113 HOH C O 1 HETATM 18037 O O . HOH BA 5 . ? 10.131 19.581 -5.381 1.00 36.58 ? 1114 HOH C O 1 HETATM 18038 O O . HOH BA 5 . ? 15.456 14.590 -15.255 1.00 30.15 ? 1116 HOH C O 1 HETATM 18039 O O . HOH BA 5 . ? 19.251 11.737 -15.197 1.00 37.11 ? 1117 HOH C O 1 HETATM 18040 O O . HOH BA 5 . ? 21.205 15.394 -14.095 1.00 32.50 ? 1118 HOH C O 1 HETATM 18041 O O . HOH BA 5 . ? 13.614 -15.507 -3.984 1.00 36.22 ? 1119 HOH C O 1 HETATM 18042 O O . HOH BA 5 . ? -3.215 -11.690 -6.260 1.00 35.96 ? 1120 HOH C O 1 HETATM 18043 O O . HOH BA 5 . ? -4.243 -12.816 10.387 1.00 35.17 ? 1121 HOH C O 1 HETATM 18044 O O . HOH BA 5 . ? 12.698 -18.726 2.906 1.00 42.62 ? 1122 HOH C O 1 HETATM 18045 O O . HOH BA 5 . ? 2.196 -14.042 -10.826 1.00 40.09 ? 1123 HOH C O 1 HETATM 18046 O O . HOH BA 5 . ? 4.448 -13.950 -8.853 1.00 38.30 ? 1125 HOH C O 1 HETATM 18047 O O . HOH BA 5 . ? 12.942 -1.298 -21.412 1.00 38.80 ? 1126 HOH C O 1 HETATM 18048 O O . HOH BA 5 . ? 18.087 -0.721 -20.461 1.00 41.78 ? 1127 HOH C O 1 HETATM 18049 O O . HOH BA 5 . ? 24.608 2.155 -16.690 1.00 35.32 ? 1128 HOH C O 1 HETATM 18050 O O . HOH BA 5 . ? 29.220 -11.029 -8.072 1.00 33.72 ? 1129 HOH C O 1 HETATM 18051 O O . HOH BA 5 . ? 29.698 -11.290 -5.528 1.00 39.34 ? 1130 HOH C O 1 HETATM 18052 O O . HOH BA 5 . ? 24.968 11.091 3.471 1.00 37.15 ? 1327 HOH C O 1 HETATM 18053 O O . HOH BA 5 . ? 3.389 2.783 -16.920 1.00 43.22 ? 1328 HOH C O 1 HETATM 18054 O O . HOH BA 5 . ? -1.418 -5.779 -12.825 1.00 42.99 ? 1329 HOH C O 1 HETATM 18055 O O . HOH BA 5 . ? -13.466 -3.226 3.712 1.00 45.99 ? 1330 HOH C O 1 HETATM 18056 O O . HOH BA 5 . ? -7.762 11.773 5.634 1.00 37.98 ? 1331 HOH C O 1 HETATM 18057 O O . HOH BA 5 . ? -10.184 11.868 0.606 1.00 36.70 ? 1332 HOH C O 1 HETATM 18058 O O . HOH BA 5 . ? 23.181 17.532 -7.641 1.00 31.67 ? 1334 HOH C O 1 HETATM 18059 O O . HOH BA 5 . ? 14.030 -13.783 5.064 1.00 40.26 ? 1335 HOH C O 1 HETATM 18060 O O . HOH BA 5 . ? 13.491 -13.434 7.611 1.00 38.66 ? 1336 HOH C O 1 HETATM 18061 O O . HOH BA 5 . ? 10.653 -20.066 4.636 1.00 37.51 ? 1337 HOH C O 1 HETATM 18062 O O . HOH BA 5 . ? 6.666 -14.992 -7.464 1.00 36.40 ? 1338 HOH C O 1 HETATM 18063 O O . HOH BA 5 . ? 8.596 18.232 0.637 1.00 45.08 ? 1371 HOH C O 1 HETATM 18064 O O . HOH BA 5 . ? 6.436 16.532 1.741 1.00 32.74 ? 1372 HOH C O 1 HETATM 18065 O O . HOH BA 5 . ? 7.202 21.376 -3.070 1.00 36.12 ? 1373 HOH C O 1 HETATM 18066 O O . HOH BA 5 . ? 27.180 -14.843 -2.842 1.00 28.65 ? 1377 HOH C O 1 HETATM 18067 O O . HOH BA 5 . ? 15.881 -8.104 5.276 1.00 28.09 ? 1378 HOH C O 1 HETATM 18068 O O . HOH BA 5 . ? 20.923 -10.675 -13.236 1.00 34.48 ? 1385 HOH C O 1 HETATM 18069 O O . HOH BA 5 . ? 4.452 -17.388 9.028 1.00 33.04 ? 1387 HOH C O 1 HETATM 18070 O O . HOH BA 5 . ? 20.337 -14.776 -0.541 1.00 36.73 ? 1390 HOH C O 1 HETATM 18071 O O . HOH BA 5 . ? 23.566 -6.793 -14.831 1.00 32.38 ? 1393 HOH C O 1 HETATM 18072 O O . HOH BA 5 . ? 5.005 -3.804 -19.837 1.00 37.88 ? 1394 HOH C O 1 HETATM 18073 O O . HOH BA 5 . ? -11.253 -4.296 3.937 1.00 37.88 ? 1403 HOH C O 1 HETATM 18074 O O . HOH BA 5 . ? 26.171 9.125 5.220 1.00 32.77 ? 1404 HOH C O 1 HETATM 18075 O O . HOH BA 5 . ? 5.113 -5.685 20.600 1.00 33.17 ? 1405 HOH C O 1 HETATM 18076 O O . HOH BA 5 . ? 27.307 -15.573 4.942 1.00 32.04 ? 1408 HOH C O 1 HETATM 18077 O O . HOH BA 5 . ? 6.268 14.781 -18.989 1.00 33.04 ? 1411 HOH C O 1 HETATM 18078 O O . HOH BA 5 . ? 20.361 16.224 3.203 1.00 32.39 ? 1414 HOH C O 1 HETATM 18079 O O . HOH BA 5 . ? 26.434 0.548 -13.938 1.00 32.98 ? 1415 HOH C O 1 HETATM 18080 O O . HOH BA 5 . ? 3.488 -18.752 4.567 1.00 25.33 ? 1418 HOH C O 1 HETATM 18081 O O . HOH BA 5 . ? 25.334 15.685 -8.063 1.00 38.35 ? 1420 HOH C O 1 HETATM 18082 O O . HOH BA 5 . ? -0.620 -13.931 -9.863 1.00 36.12 ? 1428 HOH C O 1 HETATM 18083 O O . HOH BA 5 . ? 24.727 -14.884 -1.480 1.00 32.02 ? 1440 HOH C O 1 HETATM 18084 O O . HOH BA 5 . ? 6.994 12.840 8.396 1.00 30.22 ? 1444 HOH C O 1 HETATM 18085 O O . HOH BA 5 . ? -11.760 11.031 1.938 1.00 34.90 ? 1460 HOH C O 1 HETATM 18086 O O . HOH BA 5 . ? 11.659 6.734 -17.923 1.00 37.07 ? 1492 HOH C O 1 HETATM 18087 O O . HOH BA 5 . ? 11.770 9.450 -18.860 1.00 44.62 ? 1493 HOH C O 1 HETATM 18088 O O . HOH BA 5 . ? 20.234 12.886 11.075 1.00 40.33 ? 1494 HOH C O 1 HETATM 18089 O O . HOH BA 5 . ? 9.627 14.768 8.652 1.00 42.78 ? 1495 HOH C O 1 HETATM 18090 O O . HOH BA 5 . ? 6.085 15.704 7.032 1.00 43.53 ? 1496 HOH C O 1 HETATM 18091 O O . HOH BA 5 . ? 16.682 -2.092 19.029 1.00 35.26 ? 1497 HOH C O 1 HETATM 18092 O O . HOH BA 5 . ? 17.003 0.579 18.806 1.00 39.80 ? 1498 HOH C O 1 HETATM 18093 O O . HOH BA 5 . ? -12.199 10.843 -2.122 1.00 41.85 ? 1499 HOH C O 1 HETATM 18094 O O . HOH BA 5 . ? -12.050 8.721 -6.574 1.00 38.45 ? 1500 HOH C O 1 HETATM 18095 O O . HOH BA 5 . ? 7.924 18.122 -16.466 1.00 41.86 ? 1501 HOH C O 1 HETATM 18096 O O . HOH BA 5 . ? -6.678 -2.746 -10.138 1.00 44.86 ? 1502 HOH C O 1 HETATM 18097 O O . HOH BA 5 . ? -3.955 -10.584 -11.817 1.00 36.41 ? 1503 HOH C O 1 HETATM 18098 O O . HOH BA 5 . ? 1.530 -3.980 4.378 1.00 28.89 ? 1504 HOH C O 1 HETATM 18099 O O . HOH BA 5 . ? 7.513 -18.924 10.504 1.00 32.19 ? 1506 HOH C O 1 HETATM 18100 O O . HOH BA 5 . ? 21.628 8.327 -15.471 1.00 33.69 ? 1508 HOH C O 1 HETATM 18101 O O . HOH BA 5 . ? 27.583 4.711 -14.777 1.00 39.87 ? 1509 HOH C O 1 HETATM 18102 O O . HOH BA 5 . ? 27.735 -7.851 -10.903 1.00 34.33 ? 1510 HOH C O 1 HETATM 18103 O O . HOH BA 5 . ? 25.552 -17.688 6.112 1.00 43.44 ? 1512 HOH C O 1 HETATM 18104 O O . HOH BA 5 . ? 30.779 8.424 -13.204 1.00 44.75 ? 1517 HOH C O 1 HETATM 18105 O O . HOH CA 5 . ? 51.148 6.985 10.587 1.00 9.17 ? 208 HOH D O 1 HETATM 18106 O O . HOH CA 5 . ? 50.627 4.958 23.528 1.00 14.70 ? 209 HOH D O 1 HETATM 18107 O O . HOH CA 5 . ? 38.962 5.227 14.867 1.00 16.57 ? 210 HOH D O 1 HETATM 18108 O O . HOH CA 5 . ? 52.631 9.434 -2.016 1.00 18.98 ? 211 HOH D O 1 HETATM 18109 O O . HOH CA 5 . ? 30.945 5.801 0.450 1.00 13.55 ? 212 HOH D O 1 HETATM 18110 O O . HOH CA 5 . ? 54.478 -11.816 2.912 1.00 21.53 ? 213 HOH D O 1 HETATM 18111 O O . HOH CA 5 . ? 53.147 3.591 16.868 1.00 11.54 ? 214 HOH D O 1 HETATM 18112 O O . HOH CA 5 . ? 47.944 4.863 22.756 1.00 14.70 ? 215 HOH D O 1 HETATM 18113 O O . HOH CA 5 . ? 45.809 2.883 22.443 1.00 12.88 ? 216 HOH D O 1 HETATM 18114 O O . HOH CA 5 . ? 29.011 5.777 5.493 1.00 18.97 ? 217 HOH D O 1 HETATM 18115 O O . HOH CA 5 . ? 35.113 -0.851 18.211 1.00 18.51 ? 218 HOH D O 1 HETATM 18116 O O . HOH CA 5 . ? 48.674 0.953 8.244 1.00 9.02 ? 219 HOH D O 1 HETATM 18117 O O . HOH CA 5 . ? 51.290 2.770 25.157 1.00 12.06 ? 220 HOH D O 1 HETATM 18118 O O . HOH CA 5 . ? 33.896 -6.677 -3.997 1.00 10.72 ? 221 HOH D O 1 HETATM 18119 O O . HOH CA 5 . ? 34.526 -10.480 8.998 1.00 9.11 ? 222 HOH D O 1 HETATM 18120 O O . HOH CA 5 . ? 55.542 8.374 -3.961 1.00 18.16 ? 223 HOH D O 1 HETATM 18121 O O . HOH CA 5 . ? 28.757 6.287 2.058 1.00 14.96 ? 224 HOH D O 1 HETATM 18122 O O . HOH CA 5 . ? 48.227 4.448 2.475 1.00 9.91 ? 225 HOH D O 1 HETATM 18123 O O . HOH CA 5 . ? 45.054 0.361 21.496 1.00 8.36 ? 226 HOH D O 1 HETATM 18124 O O . HOH CA 5 . ? 37.552 -1.793 15.034 1.00 15.38 ? 227 HOH D O 1 HETATM 18125 O O . HOH CA 5 . ? 31.593 -7.822 -4.949 1.00 16.60 ? 228 HOH D O 1 HETATM 18126 O O . HOH CA 5 . ? 34.013 -10.273 -0.613 1.00 17.33 ? 229 HOH D O 1 HETATM 18127 O O . HOH CA 5 . ? 51.074 9.649 6.967 1.00 10.88 ? 230 HOH D O 1 HETATM 18128 O O . HOH CA 5 . ? 29.867 -5.540 2.184 1.00 13.58 ? 231 HOH D O 1 HETATM 18129 O O . HOH CA 5 . ? 27.029 -0.453 6.271 1.00 8.86 ? 232 HOH D O 1 HETATM 18130 O O . HOH CA 5 . ? 31.869 6.326 -4.341 1.00 21.85 ? 233 HOH D O 1 HETATM 18131 O O . HOH CA 5 . ? 39.734 1.123 18.163 1.00 12.95 ? 234 HOH D O 1 HETATM 18132 O O . HOH CA 5 . ? 49.098 12.587 7.424 1.00 13.18 ? 235 HOH D O 1 HETATM 18133 O O . HOH CA 5 . ? 53.773 6.767 23.058 1.00 25.64 ? 236 HOH D O 1 HETATM 18134 O O . HOH CA 5 . ? 37.959 9.281 15.522 1.00 21.13 ? 237 HOH D O 1 HETATM 18135 O O . HOH CA 5 . ? 37.635 3.263 16.274 1.00 22.84 ? 238 HOH D O 1 HETATM 18136 O O . HOH CA 5 . ? 38.032 10.173 10.695 1.00 20.18 ? 239 HOH D O 1 HETATM 18137 O O . HOH CA 5 . ? 57.996 8.684 -2.355 1.00 18.01 ? 240 HOH D O 1 HETATM 18138 O O . HOH CA 5 . ? 34.426 7.488 -4.031 1.00 22.78 ? 241 HOH D O 1 HETATM 18139 O O . HOH CA 5 . ? 36.760 10.075 -2.717 1.00 18.81 ? 242 HOH D O 1 HETATM 18140 O O . HOH CA 5 . ? 52.279 1.693 15.302 1.00 10.41 ? 243 HOH D O 1 HETATM 18141 O O . HOH CA 5 . ? 33.230 8.518 2.547 1.00 26.99 ? 244 HOH D O 1 HETATM 18142 O O . HOH CA 5 . ? 55.143 -16.957 1.403 1.00 29.10 ? 245 HOH D O 1 HETATM 18143 O O . HOH CA 5 . ? 31.813 -5.591 18.623 1.00 17.88 ? 246 HOH D O 1 HETATM 18144 O O . HOH CA 5 . ? 36.175 -3.071 17.126 1.00 15.23 ? 247 HOH D O 1 HETATM 18145 O O . HOH CA 5 . ? 45.462 -8.738 24.527 1.00 10.41 ? 248 HOH D O 1 HETATM 18146 O O . HOH CA 5 . ? 31.040 -11.937 -1.190 1.00 19.95 ? 249 HOH D O 1 HETATM 18147 O O . HOH CA 5 . ? 56.710 11.888 9.252 1.00 35.01 ? 250 HOH D O 1 HETATM 18148 O O . HOH CA 5 . ? 31.172 -2.189 1.966 1.00 13.81 ? 251 HOH D O 1 HETATM 18149 O O . HOH CA 5 . ? 45.689 13.103 7.135 1.00 19.04 ? 252 HOH D O 1 HETATM 18150 O O . HOH CA 5 . ? 54.586 -13.065 27.981 1.00 32.55 ? 253 HOH D O 1 HETATM 18151 O O . HOH CA 5 . ? 28.496 -7.472 0.782 1.00 16.14 ? 254 HOH D O 1 HETATM 18152 O O . HOH CA 5 . ? 35.607 6.639 -8.107 1.00 21.47 ? 255 HOH D O 1 HETATM 18153 O O . HOH CA 5 . ? 41.455 -13.653 8.838 1.00 10.69 ? 256 HOH D O 1 HETATM 18154 O O . HOH CA 5 . ? 43.142 12.035 7.564 1.00 24.72 ? 257 HOH D O 1 HETATM 18155 O O . HOH CA 5 . ? 48.589 3.065 11.111 1.00 17.56 ? 258 HOH D O 1 HETATM 18156 O O . HOH CA 5 . ? 35.939 -4.008 26.357 1.00 18.64 ? 259 HOH D O 1 HETATM 18157 O O . HOH CA 5 . ? 42.332 7.789 21.050 1.00 10.60 ? 260 HOH D O 1 HETATM 18158 O O . HOH CA 5 . ? 47.980 -0.735 10.887 1.00 10.83 ? 261 HOH D O 1 HETATM 18159 O O . HOH CA 5 . ? 47.505 -11.228 22.439 1.00 11.46 ? 262 HOH D O 1 HETATM 18160 O O . HOH CA 5 . ? 39.618 -3.219 17.850 1.00 9.42 ? 263 HOH D O 1 HETATM 18161 O O . HOH CA 5 . ? 43.770 4.310 23.910 1.00 13.66 ? 266 HOH D O 1 HETATM 18162 O O . HOH CA 5 . ? 39.145 -17.592 3.325 1.00 11.45 ? 268 HOH D O 1 HETATM 18163 O O . HOH CA 5 . ? 52.804 -14.068 2.426 1.00 14.26 ? 277 HOH D O 1 HETATM 18164 O O . HOH CA 5 . ? 35.778 6.766 17.899 1.00 15.29 ? 279 HOH D O 1 HETATM 18165 O O . HOH CA 5 . ? 34.037 -5.897 17.116 1.00 16.92 ? 284 HOH D O 1 HETATM 18166 O O . HOH CA 5 . ? 54.195 0.472 18.786 1.00 11.47 ? 288 HOH D O 1 HETATM 18167 O O . HOH CA 5 . ? 53.565 6.906 -2.477 1.00 13.80 ? 290 HOH D O 1 HETATM 18168 O O . HOH CA 5 . ? 37.054 -7.029 -11.928 1.00 15.33 ? 291 HOH D O 1 HETATM 18169 O O . HOH CA 5 . ? 37.982 -1.505 19.613 1.00 12.65 ? 293 HOH D O 1 HETATM 18170 O O . HOH CA 5 . ? 60.626 0.948 6.566 1.00 16.51 ? 317 HOH D O 1 HETATM 18171 O O . HOH CA 5 . ? 55.609 1.293 -7.159 1.00 16.28 ? 344 HOH D O 1 HETATM 18172 O O . HOH CA 5 . ? 58.023 9.114 8.528 1.00 16.11 ? 354 HOH D O 1 HETATM 18173 O O . HOH CA 5 . ? 40.288 -2.129 15.304 1.00 12.94 ? 367 HOH D O 1 HETATM 18174 O O . HOH CA 5 . ? 57.901 -20.295 10.833 1.00 20.80 ? 511 HOH D O 1 HETATM 18175 O O . HOH CA 5 . ? 53.247 -19.869 14.716 1.00 19.77 ? 512 HOH D O 1 HETATM 18176 O O . HOH CA 5 . ? 46.724 -14.105 14.800 1.00 18.89 ? 513 HOH D O 1 HETATM 18177 O O . HOH CA 5 . ? 58.942 8.126 10.968 1.00 21.89 ? 514 HOH D O 1 HETATM 18178 O O . HOH CA 5 . ? 56.830 -12.377 -0.098 1.00 30.48 ? 515 HOH D O 1 HETATM 18179 O O . HOH CA 5 . ? 52.099 -10.376 -9.653 1.00 36.58 ? 516 HOH D O 1 HETATM 18180 O O . HOH CA 5 . ? 43.393 -9.319 -9.391 1.00 19.88 ? 517 HOH D O 1 HETATM 18181 O O . HOH CA 5 . ? 37.399 -12.356 -8.144 1.00 21.12 ? 518 HOH D O 1 HETATM 18182 O O . HOH CA 5 . ? 40.667 -12.466 -9.606 1.00 21.19 ? 519 HOH D O 1 HETATM 18183 O O . HOH CA 5 . ? 42.769 -15.430 -5.036 1.00 18.79 ? 520 HOH D O 1 HETATM 18184 O O . HOH CA 5 . ? 41.947 -19.960 -2.145 1.00 23.91 ? 521 HOH D O 1 HETATM 18185 O O . HOH CA 5 . ? 38.747 -11.319 16.045 1.00 25.86 ? 522 HOH D O 1 HETATM 18186 O O . HOH CA 5 . ? 35.891 -10.861 16.181 1.00 25.49 ? 523 HOH D O 1 HETATM 18187 O O . HOH CA 5 . ? 34.496 -8.869 19.571 1.00 22.91 ? 524 HOH D O 1 HETATM 18188 O O . HOH CA 5 . ? 41.049 11.359 14.615 1.00 23.42 ? 525 HOH D O 1 HETATM 18189 O O . HOH CA 5 . ? 46.703 6.644 -5.572 1.00 12.56 ? 526 HOH D O 1 HETATM 18190 O O . HOH CA 5 . ? 49.325 10.460 -4.966 1.00 19.90 ? 527 HOH D O 1 HETATM 18191 O O . HOH CA 5 . ? 46.116 11.293 -0.567 1.00 31.20 ? 528 HOH D O 1 HETATM 18192 O O . HOH CA 5 . ? 39.302 10.791 -1.132 1.00 33.07 ? 529 HOH D O 1 HETATM 18193 O O . HOH CA 5 . ? 31.069 6.849 15.627 1.00 36.95 ? 530 HOH D O 1 HETATM 18194 O O . HOH CA 5 . ? 52.748 3.686 -8.979 1.00 21.60 ? 532 HOH D O 1 HETATM 18195 O O . HOH CA 5 . ? 53.949 1.125 -9.423 1.00 28.43 ? 533 HOH D O 1 HETATM 18196 O O . HOH CA 5 . ? 58.274 1.030 -8.007 1.00 26.94 ? 534 HOH D O 1 HETATM 18197 O O . HOH CA 5 . ? 43.200 10.225 -0.479 1.00 19.64 ? 535 HOH D O 1 HETATM 18198 O O . HOH CA 5 . ? 27.935 3.241 12.956 1.00 24.71 ? 536 HOH D O 1 HETATM 18199 O O . HOH CA 5 . ? 30.381 -0.388 23.522 1.00 25.23 ? 537 HOH D O 1 HETATM 18200 O O . HOH CA 5 . ? 33.920 1.714 26.512 1.00 19.63 ? 538 HOH D O 1 HETATM 18201 O O . HOH CA 5 . ? 38.182 -3.901 -14.823 1.00 22.09 ? 539 HOH D O 1 HETATM 18202 O O . HOH CA 5 . ? 27.035 -13.591 7.384 1.00 27.35 ? 540 HOH D O 1 HETATM 18203 O O . HOH CA 5 . ? 46.413 1.711 -12.678 1.00 25.40 ? 541 HOH D O 1 HETATM 18204 O O . HOH CA 5 . ? 48.058 -0.171 -13.571 1.00 37.04 ? 542 HOH D O 1 HETATM 18205 O O . HOH CA 5 . ? 43.913 1.938 -14.099 1.00 23.07 ? 543 HOH D O 1 HETATM 18206 O O . HOH CA 5 . ? 53.561 12.823 13.367 1.00 19.55 ? 544 HOH D O 1 HETATM 18207 O O . HOH CA 5 . ? 43.398 -17.895 10.590 1.00 21.15 ? 545 HOH D O 1 HETATM 18208 O O . HOH CA 5 . ? 41.571 -16.193 9.790 1.00 19.72 ? 546 HOH D O 1 HETATM 18209 O O . HOH CA 5 . ? 46.394 -17.693 11.101 1.00 29.39 ? 547 HOH D O 1 HETATM 18210 O O . HOH CA 5 . ? 46.090 -20.302 7.137 1.00 24.89 ? 548 HOH D O 1 HETATM 18211 O O . HOH CA 5 . ? 45.480 -19.848 4.337 1.00 21.13 ? 549 HOH D O 1 HETATM 18212 O O . HOH CA 5 . ? 34.558 -21.741 2.654 1.00 21.26 ? 550 HOH D O 1 HETATM 18213 O O . HOH CA 5 . ? 36.078 -23.467 6.552 1.00 36.62 ? 551 HOH D O 1 HETATM 18214 O O . HOH CA 5 . ? 32.014 -21.192 5.495 1.00 23.49 ? 552 HOH D O 1 HETATM 18215 O O . HOH CA 5 . ? 35.709 -23.230 10.196 1.00 26.26 ? 553 HOH D O 1 HETATM 18216 O O . HOH CA 5 . ? 42.538 -22.821 7.111 1.00 20.27 ? 554 HOH D O 1 HETATM 18217 O O . HOH CA 5 . ? 42.958 -23.804 3.943 1.00 24.52 ? 555 HOH D O 1 HETATM 18218 O O . HOH CA 5 . ? 53.055 -22.483 6.054 1.00 31.32 ? 556 HOH D O 1 HETATM 18219 O O . HOH CA 5 . ? 54.773 -24.060 10.469 1.00 23.51 ? 557 HOH D O 1 HETATM 18220 O O . HOH CA 5 . ? 59.866 -12.659 7.489 1.00 29.27 ? 558 HOH D O 1 HETATM 18221 O O . HOH CA 5 . ? 62.121 -8.039 11.246 1.00 19.68 ? 559 HOH D O 1 HETATM 18222 O O . HOH CA 5 . ? 60.254 -7.811 17.879 1.00 21.13 ? 560 HOH D O 1 HETATM 18223 O O . HOH CA 5 . ? 62.982 -3.322 16.063 1.00 29.48 ? 561 HOH D O 1 HETATM 18224 O O . HOH CA 5 . ? 60.478 3.205 16.308 1.00 34.05 ? 562 HOH D O 1 HETATM 18225 O O . HOH CA 5 . ? 59.019 -9.955 18.920 1.00 18.02 ? 563 HOH D O 1 HETATM 18226 O O . HOH CA 5 . ? 55.166 -15.212 20.387 1.00 31.80 ? 564 HOH D O 1 HETATM 18227 O O . HOH CA 5 . ? 43.510 -16.463 26.247 1.00 18.34 ? 566 HOH D O 1 HETATM 18228 O O . HOH CA 5 . ? 40.267 -14.503 25.724 1.00 23.43 ? 567 HOH D O 1 HETATM 18229 O O . HOH CA 5 . ? 39.417 10.371 6.712 1.00 27.93 ? 610 HOH D O 1 HETATM 18230 O O . HOH CA 5 . ? 56.333 -3.514 1.600 1.00 17.31 ? 619 HOH D O 1 HETATM 18231 O O . HOH CA 5 . ? 57.642 8.573 17.685 1.00 22.61 ? 621 HOH D O 1 HETATM 18232 O O . HOH CA 5 . ? 29.229 1.135 16.155 1.00 20.68 ? 641 HOH D O 1 HETATM 18233 O O . HOH CA 5 . ? 38.702 -11.856 24.298 1.00 24.54 ? 642 HOH D O 1 HETATM 18234 O O . HOH CA 5 . ? 47.171 8.855 -7.104 1.00 27.21 ? 654 HOH D O 1 HETATM 18235 O O . HOH CA 5 . ? 58.934 -0.169 26.143 1.00 23.78 ? 656 HOH D O 1 HETATM 18236 O O . HOH CA 5 . ? 33.046 -13.928 -5.284 1.00 29.49 ? 663 HOH D O 1 HETATM 18237 O O . HOH CA 5 . ? 32.515 8.024 -0.262 1.00 26.20 ? 678 HOH D O 1 HETATM 18238 O O . HOH CA 5 . ? 42.784 -17.498 14.512 1.00 27.65 ? 685 HOH D O 1 HETATM 18239 O O . HOH CA 5 . ? 28.109 -9.899 -3.197 1.00 27.28 ? 692 HOH D O 1 HETATM 18240 O O . HOH CA 5 . ? 35.063 -5.910 24.504 1.00 29.85 ? 715 HOH D O 1 HETATM 18241 O O . HOH CA 5 . ? 40.222 -23.942 4.497 1.00 36.74 ? 716 HOH D O 1 HETATM 18242 O O . HOH CA 5 . ? 45.030 -18.173 -3.100 1.00 27.43 ? 717 HOH D O 1 HETATM 18243 O O . HOH CA 5 . ? 32.961 3.197 -9.417 1.00 23.69 ? 725 HOH D O 1 HETATM 18244 O O . HOH CA 5 . ? 42.956 -15.547 -8.812 1.00 36.29 ? 734 HOH D O 1 HETATM 18245 O O . HOH CA 5 . ? 60.025 5.172 6.430 1.00 29.51 ? 737 HOH D O 1 HETATM 18246 O O . HOH CA 5 . ? 32.300 -7.487 20.681 1.00 29.30 ? 739 HOH D O 1 HETATM 18247 O O . HOH CA 5 . ? 37.555 -12.183 20.158 1.00 28.69 ? 749 HOH D O 1 HETATM 18248 O O . HOH CA 5 . ? 41.865 11.193 10.017 1.00 23.63 ? 751 HOH D O 1 HETATM 18249 O O . HOH CA 5 . ? 59.042 10.954 -1.476 1.00 30.37 ? 760 HOH D O 1 HETATM 18250 O O . HOH CA 5 . ? 47.150 7.314 22.178 1.00 21.56 ? 764 HOH D O 1 HETATM 18251 O O . HOH CA 5 . ? 34.921 -11.236 -8.902 1.00 27.52 ? 771 HOH D O 1 HETATM 18252 O O . HOH CA 5 . ? 48.500 10.424 -8.631 1.00 35.68 ? 782 HOH D O 1 HETATM 18253 O O . HOH CA 5 . ? 28.181 -18.096 3.772 1.00 29.81 ? 790 HOH D O 1 HETATM 18254 O O . HOH CA 5 . ? 46.188 13.255 9.796 1.00 32.37 ? 795 HOH D O 1 HETATM 18255 O O . HOH CA 5 . ? 57.985 4.648 24.650 1.00 28.34 ? 799 HOH D O 1 HETATM 18256 O O . HOH CA 5 . ? 60.457 -11.465 13.956 1.00 26.11 ? 800 HOH D O 1 HETATM 18257 O O . HOH CA 5 . ? 59.754 8.934 2.439 1.00 28.96 ? 802 HOH D O 1 HETATM 18258 O O . HOH CA 5 . ? 46.117 -17.214 14.530 1.00 27.46 ? 803 HOH D O 1 HETATM 18259 O O . HOH CA 5 . ? 41.162 10.338 21.418 1.00 30.29 ? 804 HOH D O 1 HETATM 18260 O O . HOH CA 5 . ? 46.473 10.348 20.123 1.00 35.95 ? 807 HOH D O 1 HETATM 18261 O O . HOH CA 5 . ? 35.329 -23.013 -1.122 1.00 30.90 ? 821 HOH D O 1 HETATM 18262 O O . HOH CA 5 . ? 43.890 11.413 14.248 1.00 27.91 ? 832 HOH D O 1 HETATM 18263 O O . HOH CA 5 . ? 51.503 -20.170 17.877 1.00 26.25 ? 833 HOH D O 1 HETATM 18264 O O . HOH CA 5 . ? 57.238 -15.630 18.466 1.00 34.58 ? 837 HOH D O 1 HETATM 18265 O O . HOH CA 5 . ? 56.474 -18.055 14.266 1.00 32.19 ? 877 HOH D O 1 HETATM 18266 O O . HOH CA 5 . ? 56.818 6.895 20.857 1.00 34.03 ? 878 HOH D O 1 HETATM 18267 O O . HOH CA 5 . ? 35.850 5.283 20.294 1.00 23.68 ? 879 HOH D O 1 HETATM 18268 O O . HOH CA 5 . ? 51.926 9.673 -9.903 1.00 30.05 ? 880 HOH D O 1 HETATM 18269 O O . HOH CA 5 . ? 34.109 8.785 18.102 1.00 34.92 ? 881 HOH D O 1 HETATM 18270 O O . HOH CA 5 . ? 30.035 -5.592 14.895 1.00 26.24 ? 882 HOH D O 1 HETATM 18271 O O . HOH CA 5 . ? 33.885 -2.336 -16.150 1.00 30.92 ? 883 HOH D O 1 HETATM 18272 O O . HOH CA 5 . ? 44.407 12.604 11.517 1.00 31.89 ? 884 HOH D O 1 HETATM 18273 O O . HOH CA 5 . ? 43.456 -22.971 10.930 1.00 35.41 ? 885 HOH D O 1 HETATM 18274 O O . HOH CA 5 . ? 56.013 -20.436 6.832 1.00 23.07 ? 886 HOH D O 1 HETATM 18275 O O . HOH CA 5 . ? 64.252 -0.912 13.804 1.00 29.91 ? 887 HOH D O 1 HETATM 18276 O O . HOH CA 5 . ? 46.973 12.527 1.996 1.00 31.96 ? 906 HOH D O 1 HETATM 18277 O O . HOH CA 5 . ? 41.714 14.043 6.265 1.00 46.86 ? 908 HOH D O 1 HETATM 18278 O O . HOH CA 5 . ? 37.271 3.521 18.496 1.00 24.77 ? 914 HOH D O 1 HETATM 18279 O O . HOH CA 5 . ? 36.948 0.931 17.777 1.00 29.70 ? 915 HOH D O 1 HETATM 18280 O O . HOH CA 5 . ? 44.788 -22.375 8.316 1.00 26.60 ? 922 HOH D O 1 HETATM 18281 O O . HOH CA 5 . ? 48.720 14.040 4.025 1.00 28.03 ? 931 HOH D O 1 HETATM 18282 O O . HOH CA 5 . ? 33.276 5.202 21.574 1.00 26.76 ? 937 HOH D O 1 HETATM 18283 O O . HOH CA 5 . ? 28.728 2.059 -14.393 1.00 29.47 ? 942 HOH D O 1 HETATM 18284 O O . HOH CA 5 . ? 46.522 12.438 17.847 1.00 31.80 ? 945 HOH D O 1 HETATM 18285 O O . HOH CA 5 . ? 41.796 -17.250 28.101 1.00 28.79 ? 948 HOH D O 1 HETATM 18286 O O . HOH CA 5 . ? 43.067 -18.092 -4.988 1.00 31.60 ? 951 HOH D O 1 HETATM 18287 O O . HOH CA 5 . ? 45.198 -18.519 25.300 1.00 28.31 ? 954 HOH D O 1 HETATM 18288 O O . HOH CA 5 . ? 44.188 12.832 16.478 1.00 30.65 ? 958 HOH D O 1 HETATM 18289 O O . HOH CA 5 . ? 50.622 7.839 -11.329 1.00 33.11 ? 973 HOH D O 1 HETATM 18290 O O . HOH CA 5 . ? 47.766 -23.370 11.765 1.00 41.64 ? 978 HOH D O 1 HETATM 18291 O O . HOH CA 5 . ? 28.601 -12.676 -3.193 1.00 30.54 ? 979 HOH D O 1 HETATM 18292 O O . HOH CA 5 . ? 48.383 -21.881 16.159 1.00 34.46 ? 995 HOH D O 1 HETATM 18293 O O . HOH CA 5 . ? 26.376 7.344 12.443 1.00 33.44 ? 1088 HOH D O 1 HETATM 18294 O O . HOH CA 5 . ? 23.525 -6.274 9.883 1.00 33.65 ? 1106 HOH D O 1 HETATM 18295 O O . HOH CA 5 . ? 32.702 -12.416 -7.378 1.00 38.40 ? 1131 HOH D O 1 HETATM 18296 O O . HOH CA 5 . ? 38.270 -13.825 -10.005 1.00 37.56 ? 1132 HOH D O 1 HETATM 18297 O O . HOH CA 5 . ? 37.216 -15.858 -5.059 1.00 31.22 ? 1133 HOH D O 1 HETATM 18298 O O . HOH CA 5 . ? 39.011 -17.150 -4.476 1.00 36.53 ? 1134 HOH D O 1 HETATM 18299 O O . HOH CA 5 . ? 37.211 -18.293 -3.549 1.00 33.79 ? 1135 HOH D O 1 HETATM 18300 O O . HOH CA 5 . ? 45.970 -20.179 12.190 1.00 38.24 ? 1136 HOH D O 1 HETATM 18301 O O . HOH CA 5 . ? 46.031 -20.776 15.167 1.00 38.28 ? 1137 HOH D O 1 HETATM 18302 O O . HOH CA 5 . ? 55.489 5.435 24.762 1.00 31.70 ? 1139 HOH D O 1 HETATM 18303 O O . HOH CA 5 . ? 59.105 6.529 18.952 1.00 40.05 ? 1140 HOH D O 1 HETATM 18304 O O . HOH CA 5 . ? 56.899 -1.086 3.309 1.00 32.69 ? 1141 HOH D O 1 HETATM 18305 O O . HOH CA 5 . ? 58.442 -2.603 2.421 1.00 40.90 ? 1142 HOH D O 1 HETATM 18306 O O . HOH CA 5 . ? 60.991 -2.735 2.551 1.00 40.79 ? 1143 HOH D O 1 HETATM 18307 O O . HOH CA 5 . ? 56.661 -6.171 -1.466 1.00 40.32 ? 1144 HOH D O 1 HETATM 18308 O O . HOH CA 5 . ? 56.576 -5.881 -5.538 1.00 40.52 ? 1145 HOH D O 1 HETATM 18309 O O . HOH CA 5 . ? 52.289 -11.355 -4.742 1.00 41.19 ? 1146 HOH D O 1 HETATM 18310 O O . HOH CA 5 . ? 51.178 -16.289 -0.493 1.00 38.73 ? 1147 HOH D O 1 HETATM 18311 O O . HOH CA 5 . ? 48.972 -19.809 -0.525 1.00 33.82 ? 1148 HOH D O 1 HETATM 18312 O O . HOH CA 5 . ? 46.476 -6.517 -14.310 1.00 32.72 ? 1149 HOH D O 1 HETATM 18313 O O . HOH CA 5 . ? 45.597 -10.353 -10.497 1.00 36.55 ? 1150 HOH D O 1 HETATM 18314 O O . HOH CA 5 . ? 46.573 -15.539 -9.630 1.00 36.76 ? 1151 HOH D O 1 HETATM 18315 O O . HOH CA 5 . ? 44.950 -17.490 -9.111 1.00 45.76 ? 1152 HOH D O 1 HETATM 18316 O O . HOH CA 5 . ? 44.713 -8.456 -11.554 1.00 38.34 ? 1153 HOH D O 1 HETATM 18317 O O . HOH CA 5 . ? 42.710 12.890 18.750 1.00 42.43 ? 1155 HOH D O 1 HETATM 18318 O O . HOH CA 5 . ? 59.907 7.608 -3.664 1.00 27.02 ? 1156 HOH D O 1 HETATM 18319 O O . HOH CA 5 . ? 51.992 5.071 -11.491 1.00 37.29 ? 1157 HOH D O 1 HETATM 18320 O O . HOH CA 5 . ? 49.623 12.452 -3.862 1.00 33.47 ? 1158 HOH D O 1 HETATM 18321 O O . HOH CA 5 . ? 31.198 3.600 21.391 1.00 33.16 ? 1159 HOH D O 1 HETATM 18322 O O . HOH CA 5 . ? 29.246 -6.972 12.955 1.00 32.29 ? 1160 HOH D O 1 HETATM 18323 O O . HOH CA 5 . ? 29.553 -8.092 15.311 1.00 35.88 ? 1161 HOH D O 1 HETATM 18324 O O . HOH CA 5 . ? 29.644 -6.429 17.411 1.00 32.63 ? 1162 HOH D O 1 HETATM 18325 O O . HOH CA 5 . ? 28.747 -9.925 13.668 1.00 37.74 ? 1163 HOH D O 1 HETATM 18326 O O . HOH CA 5 . ? 29.931 -13.826 15.412 1.00 40.85 ? 1164 HOH D O 1 HETATM 18327 O O . HOH CA 5 . ? 33.924 -12.768 16.983 1.00 44.50 ? 1165 HOH D O 1 HETATM 18328 O O . HOH CA 5 . ? 36.000 -15.684 15.461 1.00 46.00 ? 1166 HOH D O 1 HETATM 18329 O O . HOH CA 5 . ? 35.303 -11.265 18.613 1.00 43.49 ? 1167 HOH D O 1 HETATM 18330 O O . HOH CA 5 . ? 41.636 11.531 2.456 1.00 41.40 ? 1168 HOH D O 1 HETATM 18331 O O . HOH CA 5 . ? 27.318 -5.430 18.893 1.00 43.24 ? 1169 HOH D O 1 HETATM 18332 O O . HOH CA 5 . ? 39.421 -0.746 -17.414 1.00 36.51 ? 1170 HOH D O 1 HETATM 18333 O O . HOH CA 5 . ? 40.507 4.226 -14.449 1.00 40.30 ? 1171 HOH D O 1 HETATM 18334 O O . HOH CA 5 . ? 35.898 6.442 -10.767 1.00 40.63 ? 1172 HOH D O 1 HETATM 18335 O O . HOH CA 5 . ? 51.084 14.145 14.126 1.00 39.79 ? 1174 HOH D O 1 HETATM 18336 O O . HOH CA 5 . ? 56.293 11.772 17.427 1.00 32.41 ? 1175 HOH D O 1 HETATM 18337 O O . HOH CA 5 . ? 29.112 -20.417 5.157 1.00 35.52 ? 1177 HOH D O 1 HETATM 18338 O O . HOH CA 5 . ? 33.078 -22.694 7.591 1.00 39.75 ? 1178 HOH D O 1 HETATM 18339 O O . HOH CA 5 . ? 52.774 -14.369 -0.115 1.00 32.57 ? 1180 HOH D O 1 HETATM 18340 O O . HOH CA 5 . ? 51.639 -19.104 0.819 1.00 33.99 ? 1181 HOH D O 1 HETATM 18341 O O . HOH CA 5 . ? 61.743 -10.251 5.474 1.00 38.10 ? 1182 HOH D O 1 HETATM 18342 O O . HOH CA 5 . ? 64.207 -7.144 9.086 1.00 42.55 ? 1183 HOH D O 1 HETATM 18343 O O . HOH CA 5 . ? 63.712 -5.451 13.113 1.00 40.25 ? 1184 HOH D O 1 HETATM 18344 O O . HOH CA 5 . ? 62.139 -8.031 16.128 1.00 35.29 ? 1185 HOH D O 1 HETATM 18345 O O . HOH CA 5 . ? 62.048 -9.614 13.523 1.00 33.30 ? 1186 HOH D O 1 HETATM 18346 O O . HOH CA 5 . ? 62.429 0.098 19.337 1.00 31.25 ? 1187 HOH D O 1 HETATM 18347 O O . HOH CA 5 . ? 60.881 -4.288 18.657 1.00 31.80 ? 1189 HOH D O 1 HETATM 18348 O O . HOH CA 5 . ? 62.901 3.107 14.886 1.00 40.39 ? 1190 HOH D O 1 HETATM 18349 O O . HOH CA 5 . ? 58.159 -12.009 20.618 1.00 37.11 ? 1191 HOH D O 1 HETATM 18350 O O . HOH CA 5 . ? 57.540 -11.772 22.761 1.00 35.29 ? 1192 HOH D O 1 HETATM 18351 O O . HOH CA 5 . ? 57.419 -15.608 15.790 1.00 42.41 ? 1194 HOH D O 1 HETATM 18352 O O . HOH CA 5 . ? 55.328 -14.580 25.168 1.00 34.27 ? 1195 HOH D O 1 HETATM 18353 O O . HOH CA 5 . ? 53.485 -22.497 14.608 1.00 40.48 ? 1339 HOH D O 1 HETATM 18354 O O . HOH CA 5 . ? 59.386 -10.117 -3.186 1.00 47.40 ? 1340 HOH D O 1 HETATM 18355 O O . HOH CA 5 . ? 58.774 -11.968 -1.592 1.00 45.22 ? 1341 HOH D O 1 HETATM 18356 O O . HOH CA 5 . ? 48.240 -9.327 -9.859 1.00 46.29 ? 1342 HOH D O 1 HETATM 18357 O O . HOH CA 5 . ? 48.384 -11.499 -8.239 1.00 49.80 ? 1343 HOH D O 1 HETATM 18358 O O . HOH CA 5 . ? 29.000 6.619 12.956 1.00 40.49 ? 1344 HOH D O 1 HETATM 18359 O O . HOH CA 5 . ? 29.949 10.124 11.428 1.00 46.47 ? 1345 HOH D O 1 HETATM 18360 O O . HOH CA 5 . ? 36.739 12.926 13.786 1.00 49.39 ? 1346 HOH D O 1 HETATM 18361 O O . HOH CA 5 . ? 31.462 -10.180 -10.566 1.00 34.18 ? 1348 HOH D O 1 HETATM 18362 O O . HOH CA 5 . ? 59.852 -0.706 -6.990 1.00 42.78 ? 1349 HOH D O 1 HETATM 18363 O O . HOH CA 5 . ? 36.243 -23.763 12.886 1.00 42.52 ? 1350 HOH D O 1 HETATM 18364 O O . HOH CA 5 . ? 31.210 4.076 -12.090 1.00 34.14 ? 1383 HOH D O 1 HETATM 18365 O O . HOH CA 5 . ? 58.088 0.862 3.968 1.00 27.31 ? 1400 HOH D O 1 HETATM 18366 O O . HOH CA 5 . ? 52.587 13.508 5.599 1.00 33.57 ? 1401 HOH D O 1 HETATM 18367 O O . HOH CA 5 . ? 26.926 -18.195 1.187 1.00 34.98 ? 1402 HOH D O 1 HETATM 18368 O O . HOH CA 5 . ? 24.208 -7.297 7.567 1.00 22.87 ? 1410 HOH D O 1 HETATM 18369 O O . HOH CA 5 . ? 44.462 8.931 -10.127 1.00 29.96 ? 1412 HOH D O 1 HETATM 18370 O O . HOH CA 5 . ? 43.700 6.855 23.327 1.00 36.22 ? 1422 HOH D O 1 HETATM 18371 O O . HOH CA 5 . ? 55.452 12.970 15.422 1.00 33.57 ? 1425 HOH D O 1 HETATM 18372 O O . HOH CA 5 . ? 28.311 -1.271 -14.876 1.00 32.65 ? 1432 HOH D O 1 HETATM 18373 O O . HOH CA 5 . ? 38.843 5.402 -12.313 1.00 31.91 ? 1434 HOH D O 1 HETATM 18374 O O . HOH CA 5 . ? 44.608 10.147 -7.896 1.00 34.91 ? 1438 HOH D O 1 HETATM 18375 O O . HOH CA 5 . ? 31.420 -7.011 -12.963 1.00 32.61 ? 1442 HOH D O 1 HETATM 18376 O O . HOH CA 5 . ? 51.560 -16.455 -4.309 1.00 34.48 ? 1448 HOH D O 1 HETATM 18377 O O . HOH CA 5 . ? 50.574 -23.726 11.441 1.00 33.95 ? 1450 HOH D O 1 HETATM 18378 O O . HOH CA 5 . ? 60.669 5.796 10.488 1.00 32.38 ? 1451 HOH D O 1 HETATM 18379 O O . HOH CA 5 . ? 30.165 -19.240 -4.025 1.00 36.25 ? 1453 HOH D O 1 HETATM 18380 O O . HOH CA 5 . ? 53.674 -11.793 -11.603 1.00 51.23 ? 1513 HOH D O 1 HETATM 18381 O O . HOH CA 5 . ? 55.691 -4.096 -11.949 1.00 49.52 ? 1514 HOH D O 1 HETATM 18382 O O . HOH CA 5 . ? 38.564 -6.929 -14.199 1.00 30.68 ? 1515 HOH D O 1 HETATM 18383 O O . HOH CA 5 . ? 60.328 -1.247 -4.623 1.00 44.93 ? 1519 HOH D O 1 HETATM 18384 O O . HOH CA 5 . ? 61.708 -4.703 0.662 1.00 48.30 ? 1521 HOH D O 1 HETATM 18385 O O . HOH CA 5 . ? 54.527 13.426 10.801 1.00 39.14 ? 1522 HOH D O 1 HETATM 18386 O O . HOH CA 5 . ? 47.885 -18.486 -6.954 1.00 39.51 ? 1523 HOH D O 1 HETATM 18387 O O . HOH CA 5 . ? 27.592 -17.920 -1.703 1.00 44.16 ? 1524 HOH D O 1 HETATM 18388 O O . HOH CA 5 . ? 35.252 -9.027 1.924 1.00 30.89 ? 1525 HOH D O 1 HETATM 18389 O O . HOH CA 5 . ? 65.698 -2.372 5.241 1.00 53.12 ? 1526 HOH D O 1 HETATM 18390 O O . HOH CA 5 . ? 65.805 -1.956 12.228 1.00 45.65 ? 1527 HOH D O 1 HETATM 18391 O O . HOH CA 5 . ? 63.615 -5.872 15.483 1.00 38.96 ? 1528 HOH D O 1 HETATM 18392 O O . HOH CA 5 . ? 61.926 2.757 18.285 1.00 46.98 ? 1529 HOH D O 1 HETATM 18393 O O . HOH DA 5 . ? 43.970 3.846 26.624 1.00 20.18 ? 208 HOH E O 1 HETATM 18394 O O . HOH DA 5 . ? 47.010 3.843 25.255 1.00 15.42 ? 209 HOH E O 1 HETATM 18395 O O . HOH DA 5 . ? 34.746 2.443 41.252 1.00 11.86 ? 210 HOH E O 1 HETATM 18396 O O . HOH DA 5 . ? 30.907 6.791 46.393 1.00 14.48 ? 211 HOH E O 1 HETATM 18397 O O . HOH DA 5 . ? 32.391 -8.178 51.771 1.00 9.23 ? 212 HOH E O 1 HETATM 18398 O O . HOH DA 5 . ? 32.869 5.584 48.111 1.00 11.95 ? 213 HOH E O 1 HETATM 18399 O O . HOH DA 5 . ? 33.419 7.723 49.775 1.00 14.91 ? 214 HOH E O 1 HETATM 18400 O O . HOH DA 5 . ? 34.240 10.074 48.628 1.00 19.31 ? 215 HOH E O 1 HETATM 18401 O O . HOH DA 5 . ? 33.366 2.854 47.477 1.00 8.62 ? 216 HOH E O 1 HETATM 18402 O O . HOH DA 5 . ? 36.916 -1.171 38.739 1.00 13.48 ? 217 HOH E O 1 HETATM 18403 O O . HOH DA 5 . ? 41.909 -2.445 25.945 1.00 7.58 ? 218 HOH E O 1 HETATM 18404 O O . HOH DA 5 . ? 53.348 -10.703 28.018 1.00 16.64 ? 219 HOH E O 1 HETATM 18405 O O . HOH DA 5 . ? 32.078 6.490 53.951 1.00 15.54 ? 220 HOH E O 1 HETATM 18406 O O . HOH DA 5 . ? 53.007 -10.460 52.688 1.00 18.87 ? 221 HOH E O 1 HETATM 18407 O O . HOH DA 5 . ? 39.587 -5.815 61.467 1.00 16.65 ? 222 HOH E O 1 HETATM 18408 O O . HOH DA 5 . ? 63.897 1.254 48.557 1.00 17.83 ? 223 HOH E O 1 HETATM 18409 O O . HOH DA 5 . ? 35.954 13.968 55.467 1.00 12.02 ? 224 HOH E O 1 HETATM 18410 O O . HOH DA 5 . ? 48.911 13.460 44.894 1.00 10.09 ? 225 HOH E O 1 HETATM 18411 O O . HOH DA 5 . ? 49.778 10.753 47.124 1.00 9.37 ? 226 HOH E O 1 HETATM 18412 O O . HOH DA 5 . ? 52.589 3.376 57.386 1.00 12.42 ? 227 HOH E O 1 HETATM 18413 O O . HOH DA 5 . ? 38.668 -4.168 26.244 1.00 11.13 ? 228 HOH E O 1 HETATM 18414 O O . HOH DA 5 . ? 54.861 4.783 28.705 1.00 22.69 ? 229 HOH E O 1 HETATM 18415 O O . HOH DA 5 . ? 38.117 5.928 38.940 1.00 14.34 ? 230 HOH E O 1 HETATM 18416 O O . HOH DA 5 . ? 33.887 4.618 38.633 1.00 21.04 ? 231 HOH E O 1 HETATM 18417 O O . HOH DA 5 . ? 33.772 8.310 52.483 1.00 14.42 ? 232 HOH E O 1 HETATM 18418 O O . HOH DA 5 . ? 34.823 12.965 51.624 1.00 23.23 ? 233 HOH E O 1 HETATM 18419 O O . HOH DA 5 . ? 44.856 14.982 50.890 1.00 12.06 ? 234 HOH E O 1 HETATM 18420 O O . HOH DA 5 . ? 30.489 7.642 42.570 1.00 24.76 ? 235 HOH E O 1 HETATM 18421 O O . HOH DA 5 . ? 36.462 4.015 38.244 1.00 20.31 ? 236 HOH E O 1 HETATM 18422 O O . HOH DA 5 . ? 49.192 3.444 26.907 1.00 11.68 ? 237 HOH E O 1 HETATM 18423 O O . HOH DA 5 . ? 46.909 -9.773 26.678 1.00 13.30 ? 238 HOH E O 1 HETATM 18424 O O . HOH DA 5 . ? 33.415 -5.505 36.748 1.00 16.45 ? 239 HOH E O 1 HETATM 18425 O O . HOH DA 5 . ? 49.863 -12.073 31.954 1.00 15.21 ? 240 HOH E O 1 HETATM 18426 O O . HOH DA 5 . ? 50.227 -15.487 26.122 1.00 25.32 ? 241 HOH E O 1 HETATM 18427 O O . HOH DA 5 . ? 34.661 15.533 53.620 1.00 10.93 ? 242 HOH E O 1 HETATM 18428 O O . HOH DA 5 . ? 43.228 13.284 41.293 1.00 30.17 ? 243 HOH E O 1 HETATM 18429 O O . HOH DA 5 . ? 51.897 14.653 47.608 1.00 20.48 ? 244 HOH E O 1 HETATM 18430 O O . HOH DA 5 . ? 61.591 -10.133 30.988 1.00 11.63 ? 245 HOH E O 1 HETATM 18431 O O . HOH DA 5 . ? 45.222 16.174 48.530 1.00 17.05 ? 246 HOH E O 1 HETATM 18432 O O . HOH DA 5 . ? 34.542 -9.980 39.148 1.00 20.70 ? 247 HOH E O 1 HETATM 18433 O O . HOH DA 5 . ? 39.183 -9.446 24.762 1.00 22.53 ? 248 HOH E O 1 HETATM 18434 O O . HOH DA 5 . ? 65.111 -7.257 30.661 1.00 21.14 ? 249 HOH E O 1 HETATM 18435 O O . HOH DA 5 . ? 55.437 -2.125 52.620 1.00 14.39 ? 250 HOH E O 1 HETATM 18436 O O . HOH DA 5 . ? 60.212 -14.572 36.029 1.00 20.82 ? 251 HOH E O 1 HETATM 18437 O O . HOH DA 5 . ? 46.260 8.642 48.649 1.00 7.07 ? 252 HOH E O 1 HETATM 18438 O O . HOH DA 5 . ? 34.705 -1.796 41.818 1.00 8.25 ? 253 HOH E O 1 HETATM 18439 O O . HOH DA 5 . ? 41.652 4.272 52.008 1.00 7.59 ? 254 HOH E O 1 HETATM 18440 O O . HOH DA 5 . ? 33.582 9.690 43.528 1.00 12.45 ? 255 HOH E O 1 HETATM 18441 O O . HOH DA 5 . ? 44.334 0.679 47.052 1.00 9.80 ? 256 HOH E O 1 HETATM 18442 O O . HOH DA 5 . ? 34.464 7.429 36.572 1.00 15.22 ? 257 HOH E O 1 HETATM 18443 O O . HOH DA 5 . ? 29.966 -5.654 50.310 1.00 9.22 ? 258 HOH E O 1 HETATM 18444 O O . HOH DA 5 . ? 47.102 2.071 46.575 1.00 8.10 ? 259 HOH E O 1 HETATM 18445 O O . HOH DA 5 . ? 50.464 11.512 54.113 1.00 15.04 ? 260 HOH E O 1 HETATM 18446 O O . HOH DA 5 . ? 27.907 0.243 46.321 1.00 7.94 ? 261 HOH E O 1 HETATM 18447 O O . HOH DA 5 . ? 59.935 5.538 39.674 1.00 11.09 ? 262 HOH E O 1 HETATM 18448 O O . HOH DA 5 . ? 53.236 -9.087 30.297 1.00 10.76 ? 263 HOH E O 1 HETATM 18449 O O . HOH DA 5 . ? 52.646 -12.917 51.274 1.00 11.65 ? 264 HOH E O 1 HETATM 18450 O O . HOH DA 5 . ? 35.590 11.028 55.333 1.00 13.21 ? 265 HOH E O 1 HETATM 18451 O O . HOH DA 5 . ? 40.875 -10.977 35.508 1.00 7.60 ? 266 HOH E O 1 HETATM 18452 O O . HOH DA 5 . ? 38.888 3.803 55.255 1.00 10.36 ? 267 HOH E O 1 HETATM 18453 O O . HOH DA 5 . ? 52.689 4.757 43.943 1.00 9.43 ? 268 HOH E O 1 HETATM 18454 O O . HOH DA 5 . ? 58.753 3.577 28.486 1.00 14.70 ? 273 HOH E O 1 HETATM 18455 O O . HOH DA 5 . ? 47.142 -4.165 28.825 1.00 11.31 ? 276 HOH E O 1 HETATM 18456 O O . HOH DA 5 . ? 54.532 9.159 37.117 1.00 13.92 ? 280 HOH E O 1 HETATM 18457 O O . HOH DA 5 . ? 34.311 -2.233 38.393 1.00 14.45 ? 282 HOH E O 1 HETATM 18458 O O . HOH DA 5 . ? 46.269 -7.652 28.206 1.00 11.37 ? 285 HOH E O 1 HETATM 18459 O O . HOH DA 5 . ? 32.743 -0.143 40.521 1.00 10.71 ? 297 HOH E O 1 HETATM 18460 O O . HOH DA 5 . ? 33.172 0.011 37.286 1.00 17.39 ? 299 HOH E O 1 HETATM 18461 O O . HOH DA 5 . ? 45.875 -16.871 59.891 1.00 17.98 ? 300 HOH E O 1 HETATM 18462 O O . HOH DA 5 . ? 42.933 -13.096 42.536 1.00 10.12 ? 301 HOH E O 1 HETATM 18463 O O . HOH DA 5 . ? 47.014 -17.879 39.399 1.00 11.19 ? 302 HOH E O 1 HETATM 18464 O O . HOH DA 5 . ? 40.586 12.599 42.251 1.00 14.47 ? 309 HOH E O 1 HETATM 18465 O O . HOH DA 5 . ? 26.506 -1.789 43.678 1.00 10.84 ? 313 HOH E O 1 HETATM 18466 O O . HOH DA 5 . ? 40.579 6.424 53.146 1.00 8.81 ? 319 HOH E O 1 HETATM 18467 O O . HOH DA 5 . ? 41.423 -15.311 43.492 1.00 18.10 ? 325 HOH E O 1 HETATM 18468 O O . HOH DA 5 . ? 40.942 -3.429 61.993 1.00 18.50 ? 330 HOH E O 1 HETATM 18469 O O . HOH DA 5 . ? 40.623 -16.528 56.661 1.00 18.56 ? 335 HOH E O 1 HETATM 18470 O O . HOH DA 5 . ? 59.284 7.078 47.044 1.00 15.17 ? 337 HOH E O 1 HETATM 18471 O O . HOH DA 5 . ? 61.228 -11.004 38.205 1.00 17.06 ? 343 HOH E O 1 HETATM 18472 O O . HOH DA 5 . ? 37.434 -1.032 41.461 1.00 12.14 ? 348 HOH E O 1 HETATM 18473 O O . HOH DA 5 . ? 34.691 12.969 49.013 1.00 39.27 ? 355 HOH E O 1 HETATM 18474 O O . HOH DA 5 . ? 43.732 -20.517 58.345 1.00 14.92 ? 357 HOH E O 1 HETATM 18475 O O . HOH DA 5 . ? 33.152 4.581 62.024 1.00 14.80 ? 362 HOH E O 1 HETATM 18476 O O . HOH DA 5 . ? 64.998 3.230 44.908 1.00 18.69 ? 365 HOH E O 1 HETATM 18477 O O . HOH DA 5 . ? 43.331 16.621 52.616 1.00 13.63 ? 368 HOH E O 1 HETATM 18478 O O . HOH DA 5 . ? 60.402 9.768 41.420 1.00 17.52 ? 370 HOH E O 1 HETATM 18479 O O . HOH DA 5 . ? 41.201 -16.403 49.276 1.00 16.42 ? 371 HOH E O 1 HETATM 18480 O O . HOH DA 5 . ? 27.176 -13.550 50.052 1.00 19.95 ? 403 HOH E O 1 HETATM 18481 O O . HOH DA 5 . ? 27.842 -9.780 44.340 1.00 21.95 ? 405 HOH E O 1 HETATM 18482 O O . HOH DA 5 . ? 26.749 -11.846 46.599 1.00 26.91 ? 406 HOH E O 1 HETATM 18483 O O . HOH DA 5 . ? 50.277 -12.921 24.511 1.00 22.38 ? 565 HOH E O 1 HETATM 18484 O O . HOH DA 5 . ? 49.086 -17.880 56.867 1.00 18.69 ? 568 HOH E O 1 HETATM 18485 O O . HOH DA 5 . ? 44.894 -21.613 54.319 1.00 15.52 ? 569 HOH E O 1 HETATM 18486 O O . HOH DA 5 . ? 38.995 -11.916 49.327 1.00 16.87 ? 570 HOH E O 1 HETATM 18487 O O . HOH DA 5 . ? 37.221 -15.657 46.039 1.00 18.07 ? 571 HOH E O 1 HETATM 18488 O O . HOH DA 5 . ? 42.518 11.944 56.806 1.00 14.96 ? 572 HOH E O 1 HETATM 18489 O O . HOH DA 5 . ? 43.909 7.145 59.566 1.00 20.93 ? 573 HOH E O 1 HETATM 18490 O O . HOH DA 5 . ? 35.465 -10.115 41.745 1.00 19.79 ? 574 HOH E O 1 HETATM 18491 O O . HOH DA 5 . ? 32.161 6.213 37.526 1.00 21.97 ? 575 HOH E O 1 HETATM 18492 O O . HOH DA 5 . ? 39.347 12.210 39.788 1.00 18.07 ? 576 HOH E O 1 HETATM 18493 O O . HOH DA 5 . ? 37.426 9.927 37.454 1.00 16.04 ? 577 HOH E O 1 HETATM 18494 O O . HOH DA 5 . ? 44.143 11.455 39.272 1.00 16.97 ? 578 HOH E O 1 HETATM 18495 O O . HOH DA 5 . ? 61.287 8.665 48.339 1.00 19.86 ? 579 HOH E O 1 HETATM 18496 O O . HOH DA 5 . ? 60.658 9.396 50.900 1.00 17.49 ? 580 HOH E O 1 HETATM 18497 O O . HOH DA 5 . ? 61.632 7.618 39.645 1.00 18.87 ? 581 HOH E O 1 HETATM 18498 O O . HOH DA 5 . ? 46.286 9.844 36.216 1.00 22.83 ? 582 HOH E O 1 HETATM 18499 O O . HOH DA 5 . ? 35.110 6.654 31.588 1.00 34.11 ? 583 HOH E O 1 HETATM 18500 O O . HOH DA 5 . ? 54.478 7.899 30.553 1.00 18.62 ? 584 HOH E O 1 HETATM 18501 O O . HOH DA 5 . ? 31.352 -5.004 35.119 1.00 18.79 ? 585 HOH E O 1 HETATM 18502 O O . HOH DA 5 . ? 31.118 -7.801 38.388 1.00 22.84 ? 586 HOH E O 1 HETATM 18503 O O . HOH DA 5 . ? 31.811 -6.255 32.808 1.00 28.26 ? 587 HOH E O 1 HETATM 18504 O O . HOH DA 5 . ? 26.772 0.522 34.434 1.00 23.67 ? 588 HOH E O 1 HETATM 18505 O O . HOH DA 5 . ? 60.741 -10.726 25.028 1.00 29.02 ? 589 HOH E O 1 HETATM 18506 O O . HOH DA 5 . ? 39.906 -15.143 28.516 1.00 26.22 ? 590 HOH E O 1 HETATM 18507 O O . HOH DA 5 . ? 63.156 1.200 28.588 1.00 20.88 ? 591 HOH E O 1 HETATM 18508 O O . HOH DA 5 . ? 67.818 -5.129 30.567 1.00 21.46 ? 592 HOH E O 1 HETATM 18509 O O . HOH DA 5 . ? 65.442 2.091 38.987 1.00 18.47 ? 593 HOH E O 1 HETATM 18510 O O . HOH DA 5 . ? 53.456 10.906 55.022 1.00 30.96 ? 594 HOH E O 1 HETATM 18511 O O . HOH DA 5 . ? 41.757 -16.589 45.985 1.00 16.14 ? 595 HOH E O 1 HETATM 18512 O O . HOH DA 5 . ? 46.011 -22.725 35.884 1.00 18.16 ? 596 HOH E O 1 HETATM 18513 O O . HOH DA 5 . ? 42.072 -23.500 38.430 1.00 19.68 ? 597 HOH E O 1 HETATM 18514 O O . HOH DA 5 . ? 46.111 -23.286 40.419 1.00 22.19 ? 598 HOH E O 1 HETATM 18515 O O . HOH DA 5 . ? 42.384 -22.133 33.842 1.00 21.25 ? 599 HOH E O 1 HETATM 18516 O O . HOH DA 5 . ? 43.039 -19.846 29.308 1.00 26.20 ? 600 HOH E O 1 HETATM 18517 O O . HOH DA 5 . ? 54.813 -18.538 43.289 1.00 21.20 ? 601 HOH E O 1 HETATM 18518 O O . HOH DA 5 . ? 52.604 -18.824 48.623 1.00 24.72 ? 602 HOH E O 1 HETATM 18519 O O . HOH DA 5 . ? 54.223 -15.260 53.710 1.00 28.11 ? 603 HOH E O 1 HETATM 18520 O O . HOH DA 5 . ? 47.848 -4.550 61.687 1.00 16.86 ? 604 HOH E O 1 HETATM 18521 O O . HOH DA 5 . ? 46.947 12.043 39.477 1.00 27.96 ? 611 HOH E O 1 HETATM 18522 O O . HOH DA 5 . ? 40.660 -18.962 46.669 1.00 19.62 ? 616 HOH E O 1 HETATM 18523 O O . HOH DA 5 . ? 38.729 -14.819 49.412 1.00 24.65 ? 622 HOH E O 1 HETATM 18524 O O . HOH DA 5 . ? 56.495 -16.623 39.860 1.00 19.37 ? 623 HOH E O 1 HETATM 18525 O O . HOH DA 5 . ? 50.102 -9.970 59.001 1.00 22.33 ? 626 HOH E O 1 HETATM 18526 O O . HOH DA 5 . ? 44.376 -7.961 61.565 1.00 23.38 ? 627 HOH E O 1 HETATM 18527 O O . HOH DA 5 . ? 66.271 7.087 41.651 1.00 21.02 ? 632 HOH E O 1 HETATM 18528 O O . HOH DA 5 . ? 66.097 -0.629 38.945 1.00 22.94 ? 633 HOH E O 1 HETATM 18529 O O . HOH DA 5 . ? 39.235 -17.989 41.937 1.00 19.37 ? 634 HOH E O 1 HETATM 18530 O O . HOH DA 5 . ? 47.935 13.562 41.603 1.00 23.16 ? 649 HOH E O 1 HETATM 18531 O O . HOH DA 5 . ? 66.110 -4.103 26.228 1.00 25.12 ? 651 HOH E O 1 HETATM 18532 O O . HOH DA 5 . ? 37.019 -7.948 24.625 1.00 29.37 ? 652 HOH E O 1 HETATM 18533 O O . HOH DA 5 . ? 49.560 -14.103 29.641 1.00 28.03 ? 653 HOH E O 1 HETATM 18534 O O . HOH DA 5 . ? 52.960 -21.295 42.120 1.00 21.76 ? 655 HOH E O 1 HETATM 18535 O O . HOH DA 5 . ? 43.868 0.835 63.195 1.00 24.37 ? 659 HOH E O 1 HETATM 18536 O O . HOH DA 5 . ? 33.563 11.048 53.055 1.00 21.76 ? 661 HOH E O 1 HETATM 18537 O O . HOH DA 5 . ? 54.131 2.436 54.102 1.00 21.78 ? 664 HOH E O 1 HETATM 18538 O O . HOH DA 5 . ? 36.383 2.272 28.350 1.00 23.94 ? 666 HOH E O 1 HETATM 18539 O O . HOH DA 5 . ? 36.671 13.547 39.799 1.00 24.85 ? 672 HOH E O 1 HETATM 18540 O O . HOH DA 5 . ? 47.890 -18.461 59.186 1.00 22.27 ? 673 HOH E O 1 HETATM 18541 O O . HOH DA 5 . ? 30.004 6.144 35.738 1.00 25.40 ? 676 HOH E O 1 HETATM 18542 O O . HOH DA 5 . ? 33.353 12.142 42.330 1.00 27.50 ? 677 HOH E O 1 HETATM 18543 O O . HOH DA 5 . ? 45.991 -20.164 59.410 1.00 25.10 ? 681 HOH E O 1 HETATM 18544 O O . HOH DA 5 . ? 47.415 15.425 52.176 1.00 24.93 ? 683 HOH E O 1 HETATM 18545 O O . HOH DA 5 . ? 50.574 5.799 27.717 1.00 25.90 ? 686 HOH E O 1 HETATM 18546 O O . HOH DA 5 . ? 70.323 -5.512 31.590 1.00 29.10 ? 690 HOH E O 1 HETATM 18547 O O . HOH DA 5 . ? 47.348 -20.504 54.875 1.00 26.77 ? 693 HOH E O 1 HETATM 18548 O O . HOH DA 5 . ? 33.100 -14.125 33.386 1.00 35.63 ? 694 HOH E O 1 HETATM 18549 O O . HOH DA 5 . ? 34.091 10.716 45.987 1.00 27.27 ? 699 HOH E O 1 HETATM 18550 O O . HOH DA 5 . ? 64.896 -6.655 25.592 1.00 27.42 ? 702 HOH E O 1 HETATM 18551 O O . HOH DA 5 . ? 54.118 3.376 26.234 1.00 25.62 ? 704 HOH E O 1 HETATM 18552 O O . HOH DA 5 . ? 34.435 1.868 38.635 1.00 24.70 ? 707 HOH E O 1 HETATM 18553 O O . HOH DA 5 . ? 64.092 2.030 30.905 1.00 18.18 ? 708 HOH E O 1 HETATM 18554 O O . HOH DA 5 . ? 35.811 -7.698 31.119 1.00 25.89 ? 714 HOH E O 1 HETATM 18555 O O . HOH DA 5 . ? 56.921 10.564 53.920 1.00 29.19 ? 719 HOH E O 1 HETATM 18556 O O . HOH DA 5 . ? 29.297 -11.386 56.425 1.00 27.14 ? 720 HOH E O 1 HETATM 18557 O O . HOH DA 5 . ? 25.155 3.345 38.293 1.00 21.92 ? 721 HOH E O 1 HETATM 18558 O O . HOH DA 5 . ? 49.752 15.587 46.374 1.00 27.63 ? 727 HOH E O 1 HETATM 18559 O O . HOH DA 5 . ? 43.394 -3.889 63.182 1.00 28.14 ? 728 HOH E O 1 HETATM 18560 O O . HOH DA 5 . ? 52.849 7.308 56.230 1.00 34.08 ? 729 HOH E O 1 HETATM 18561 O O . HOH DA 5 . ? 50.528 -19.218 50.808 1.00 26.11 ? 730 HOH E O 1 HETATM 18562 O O . HOH DA 5 . ? 39.612 -18.550 58.096 1.00 24.83 ? 736 HOH E O 1 HETATM 18563 O O . HOH DA 5 . ? 40.240 -25.199 40.728 1.00 25.94 ? 744 HOH E O 1 HETATM 18564 O O . HOH DA 5 . ? 57.829 -14.611 33.328 1.00 24.08 ? 747 HOH E O 1 HETATM 18565 O O . HOH DA 5 . ? 47.022 5.993 59.739 1.00 25.88 ? 754 HOH E O 1 HETATM 18566 O O . HOH DA 5 . ? 33.404 0.873 30.772 1.00 22.12 ? 755 HOH E O 1 HETATM 18567 O O . HOH DA 5 . ? 54.944 -5.912 60.419 1.00 33.98 ? 767 HOH E O 1 HETATM 18568 O O . HOH DA 5 . ? 33.971 -15.703 54.053 1.00 23.77 ? 770 HOH E O 1 HETATM 18569 O O . HOH DA 5 . ? 58.822 9.607 45.812 1.00 29.14 ? 773 HOH E O 1 HETATM 18570 O O . HOH DA 5 . ? 46.692 2.975 63.274 1.00 27.37 ? 775 HOH E O 1 HETATM 18571 O O . HOH DA 5 . ? 29.650 -13.923 55.530 1.00 28.36 ? 776 HOH E O 1 HETATM 18572 O O . HOH DA 5 . ? 62.008 0.177 24.088 1.00 32.06 ? 778 HOH E O 1 HETATM 18573 O O . HOH DA 5 . ? 66.780 2.468 41.367 1.00 24.22 ? 779 HOH E O 1 HETATM 18574 O O . HOH DA 5 . ? 36.792 -16.421 55.903 1.00 22.51 ? 781 HOH E O 1 HETATM 18575 O O . HOH DA 5 . ? 29.544 -8.407 60.325 1.00 27.57 ? 783 HOH E O 1 HETATM 18576 O O . HOH DA 5 . ? 34.075 12.056 39.742 1.00 33.35 ? 785 HOH E O 1 HETATM 18577 O O . HOH DA 5 . ? 41.632 -7.620 62.191 1.00 29.35 ? 796 HOH E O 1 HETATM 18578 O O . HOH DA 5 . ? 31.607 9.207 45.563 1.00 33.42 ? 798 HOH E O 1 HETATM 18579 O O . HOH DA 5 . ? 45.496 -5.695 62.647 1.00 32.12 ? 801 HOH E O 1 HETATM 18580 O O . HOH DA 5 . ? 62.208 -5.705 20.856 1.00 32.26 ? 805 HOH E O 1 HETATM 18581 O O . HOH DA 5 . ? 56.436 11.011 38.403 1.00 26.35 ? 806 HOH E O 1 HETATM 18582 O O . HOH DA 5 . ? 52.969 -20.579 35.631 1.00 25.31 ? 808 HOH E O 1 HETATM 18583 O O . HOH DA 5 . ? 65.368 1.641 51.085 1.00 29.26 ? 809 HOH E O 1 HETATM 18584 O O . HOH DA 5 . ? 36.886 -16.467 48.548 1.00 25.19 ? 811 HOH E O 1 HETATM 18585 O O . HOH DA 5 . ? 34.805 -16.206 42.037 1.00 32.98 ? 813 HOH E O 1 HETATM 18586 O O . HOH DA 5 . ? 50.045 -24.014 35.479 1.00 29.93 ? 814 HOH E O 1 HETATM 18587 O O . HOH DA 5 . ? 43.891 6.506 27.480 1.00 28.07 ? 818 HOH E O 1 HETATM 18588 O O . HOH DA 5 . ? 60.956 -8.638 23.037 1.00 31.07 ? 831 HOH E O 1 HETATM 18589 O O . HOH DA 5 . ? 28.512 -15.361 51.707 1.00 31.98 ? 835 HOH E O 1 HETATM 18590 O O . HOH DA 5 . ? 67.061 -9.143 39.472 1.00 38.06 ? 836 HOH E O 1 HETATM 18591 O O . HOH DA 5 . ? 42.374 -14.175 59.163 1.00 26.96 ? 888 HOH E O 1 HETATM 18592 O O . HOH DA 5 . ? 56.443 -10.925 54.081 1.00 28.14 ? 889 HOH E O 1 HETATM 18593 O O . HOH DA 5 . ? 61.897 -5.784 50.897 1.00 34.68 ? 890 HOH E O 1 HETATM 18594 O O . HOH DA 5 . ? 66.662 -1.211 46.390 1.00 39.73 ? 892 HOH E O 1 HETATM 18595 O O . HOH DA 5 . ? 65.958 1.417 46.749 1.00 28.10 ? 893 HOH E O 1 HETATM 18596 O O . HOH DA 5 . ? 65.005 4.317 52.575 1.00 33.89 ? 894 HOH E O 1 HETATM 18597 O O . HOH DA 5 . ? 62.480 8.322 52.747 1.00 30.43 ? 895 HOH E O 1 HETATM 18598 O O . HOH DA 5 . ? 60.668 10.735 44.525 1.00 34.25 ? 896 HOH E O 1 HETATM 18599 O O . HOH DA 5 . ? 48.252 6.542 29.169 1.00 30.96 ? 898 HOH E O 1 HETATM 18600 O O . HOH DA 5 . ? 34.500 -5.782 32.361 1.00 25.59 ? 899 HOH E O 1 HETATM 18601 O O . HOH DA 5 . ? 26.822 -4.190 39.899 1.00 27.98 ? 900 HOH E O 1 HETATM 18602 O O . HOH DA 5 . ? 49.784 14.095 52.583 1.00 31.44 ? 901 HOH E O 1 HETATM 18603 O O . HOH DA 5 . ? 45.469 13.955 42.982 1.00 29.76 ? 902 HOH E O 1 HETATM 18604 O O . HOH DA 5 . ? 53.861 -16.494 30.546 1.00 24.24 ? 903 HOH E O 1 HETATM 18605 O O . HOH DA 5 . ? 56.037 -0.780 57.163 1.00 37.02 ? 904 HOH E O 1 HETATM 18606 O O . HOH DA 5 . ? 58.456 11.436 40.276 1.00 32.42 ? 909 HOH E O 1 HETATM 18607 O O . HOH DA 5 . ? 54.212 -14.618 49.364 1.00 30.69 ? 926 HOH E O 1 HETATM 18608 O O . HOH DA 5 . ? 47.765 16.722 48.142 1.00 22.20 ? 929 HOH E O 1 HETATM 18609 O O . HOH DA 5 . ? 46.521 -24.445 38.074 1.00 35.59 ? 944 HOH E O 1 HETATM 18610 O O . HOH DA 5 . ? 62.106 3.327 27.876 1.00 30.01 ? 950 HOH E O 1 HETATM 18611 O O . HOH DA 5 . ? 35.300 -14.548 40.118 1.00 28.30 ? 953 HOH E O 1 HETATM 18612 O O . HOH DA 5 . ? 35.067 6.437 62.357 1.00 39.88 ? 959 HOH E O 1 HETATM 18613 O O . HOH DA 5 . ? 31.358 -14.844 53.096 1.00 29.13 ? 962 HOH E O 1 HETATM 18614 O O . HOH DA 5 . ? 34.829 -10.471 31.367 1.00 32.62 ? 970 HOH E O 1 HETATM 18615 O O . HOH DA 5 . ? 51.069 14.274 50.350 1.00 39.09 ? 971 HOH E O 1 HETATM 18616 O O . HOH DA 5 . ? 54.423 -18.096 35.604 1.00 30.60 ? 981 HOH E O 1 HETATM 18617 O O . HOH DA 5 . ? 62.020 5.822 27.782 1.00 26.16 ? 983 HOH E O 1 HETATM 18618 O O . HOH DA 5 . ? 35.004 -14.883 44.569 1.00 24.27 ? 990 HOH E O 1 HETATM 18619 O O . HOH DA 5 . ? 63.609 8.928 40.512 1.00 36.33 ? 999 HOH E O 1 HETATM 18620 O O . HOH DA 5 . ? 24.754 -14.076 49.118 1.00 31.61 ? 1016 HOH E O 1 HETATM 18621 O O . HOH DA 5 . ? 62.300 -2.616 20.755 1.00 30.96 ? 1188 HOH E O 1 HETATM 18622 O O . HOH DA 5 . ? 60.028 -10.329 21.477 1.00 38.09 ? 1193 HOH E O 1 HETATM 18623 O O . HOH DA 5 . ? 50.338 -18.459 60.483 1.00 44.74 ? 1196 HOH E O 1 HETATM 18624 O O . HOH DA 5 . ? 51.821 -19.199 56.634 1.00 43.02 ? 1197 HOH E O 1 HETATM 18625 O O . HOH DA 5 . ? 43.201 -11.467 60.058 1.00 35.69 ? 1198 HOH E O 1 HETATM 18626 O O . HOH DA 5 . ? 38.775 -11.579 60.669 1.00 29.95 ? 1199 HOH E O 1 HETATM 18627 O O . HOH DA 5 . ? 38.100 -16.555 60.745 1.00 41.07 ? 1200 HOH E O 1 HETATM 18628 O O . HOH DA 5 . ? 55.484 -0.534 54.567 1.00 27.31 ? 1207 HOH E O 1 HETATM 18629 O O . HOH DA 5 . ? 64.050 -11.073 46.549 1.00 39.67 ? 1210 HOH E O 1 HETATM 18630 O O . HOH DA 5 . ? 68.653 -3.180 43.995 1.00 38.98 ? 1211 HOH E O 1 HETATM 18631 O O . HOH DA 5 . ? 62.707 -11.924 40.180 1.00 43.30 ? 1212 HOH E O 1 HETATM 18632 O O . HOH DA 5 . ? 40.862 13.194 38.035 1.00 37.99 ? 1213 HOH E O 1 HETATM 18633 O O . HOH DA 5 . ? 47.002 13.859 37.079 1.00 47.32 ? 1214 HOH E O 1 HETATM 18634 O O . HOH DA 5 . ? 61.426 10.939 46.742 1.00 36.81 ? 1215 HOH E O 1 HETATM 18635 O O . HOH DA 5 . ? 66.590 6.619 44.093 1.00 33.93 ? 1216 HOH E O 1 HETATM 18636 O O . HOH DA 5 . ? 43.550 10.958 31.949 1.00 42.07 ? 1218 HOH E O 1 HETATM 18637 O O . HOH DA 5 . ? 39.501 8.973 28.319 1.00 41.99 ? 1220 HOH E O 1 HETATM 18638 O O . HOH DA 5 . ? 46.492 6.291 26.764 1.00 33.26 ? 1221 HOH E O 1 HETATM 18639 O O . HOH DA 5 . ? 56.212 7.414 28.582 1.00 40.09 ? 1222 HOH E O 1 HETATM 18640 O O . HOH DA 5 . ? 36.606 5.884 25.794 1.00 36.98 ? 1223 HOH E O 1 HETATM 18641 O O . HOH DA 5 . ? 29.622 1.885 32.895 1.00 42.03 ? 1224 HOH E O 1 HETATM 18642 O O . HOH DA 5 . ? 29.511 4.336 34.066 1.00 36.96 ? 1225 HOH E O 1 HETATM 18643 O O . HOH DA 5 . ? 27.121 3.648 33.939 1.00 44.82 ? 1226 HOH E O 1 HETATM 18644 O O . HOH DA 5 . ? 27.907 7.257 37.142 1.00 36.76 ? 1227 HOH E O 1 HETATM 18645 O O . HOH DA 5 . ? 26.001 5.711 37.395 1.00 35.74 ? 1228 HOH E O 1 HETATM 18646 O O . HOH DA 5 . ? 66.000 -7.831 28.156 1.00 38.75 ? 1229 HOH E O 1 HETATM 18647 O O . HOH DA 5 . ? 61.180 -12.549 28.770 1.00 41.97 ? 1230 HOH E O 1 HETATM 18648 O O . HOH DA 5 . ? 33.604 -8.132 32.469 1.00 32.09 ? 1232 HOH E O 1 HETATM 18649 O O . HOH DA 5 . ? 36.380 -12.306 27.057 1.00 37.10 ? 1233 HOH E O 1 HETATM 18650 O O . HOH DA 5 . ? 42.564 14.610 57.321 1.00 25.36 ? 1234 HOH E O 1 HETATM 18651 O O . HOH DA 5 . ? 67.874 -11.543 53.264 1.00 52.59 ? 1235 HOH E O 1 HETATM 18652 O O . HOH DA 5 . ? 66.587 9.366 47.888 1.00 36.05 ? 1236 HOH E O 1 HETATM 18653 O O . HOH DA 5 . ? 60.596 12.047 51.030 1.00 40.78 ? 1237 HOH E O 1 HETATM 18654 O O . HOH DA 5 . ? 58.557 13.087 52.742 1.00 38.76 ? 1238 HOH E O 1 HETATM 18655 O O . HOH DA 5 . ? 36.186 11.344 33.511 1.00 37.14 ? 1239 HOH E O 1 HETATM 18656 O O . HOH DA 5 . ? 37.058 5.305 28.431 1.00 36.44 ? 1240 HOH E O 1 HETATM 18657 O O . HOH DA 5 . ? 56.800 9.588 31.016 1.00 40.36 ? 1241 HOH E O 1 HETATM 18658 O O . HOH DA 5 . ? 32.011 -9.824 39.349 1.00 37.15 ? 1242 HOH E O 1 HETATM 18659 O O . HOH DA 5 . ? 51.772 14.427 43.352 1.00 33.85 ? 1243 HOH E O 1 HETATM 18660 O O . HOH DA 5 . ? 54.726 3.925 55.680 1.00 31.79 ? 1244 HOH E O 1 HETATM 18661 O O . HOH DA 5 . ? 45.640 16.269 44.502 1.00 35.24 ? 1245 HOH E O 1 HETATM 18662 O O . HOH DA 5 . ? 54.179 -19.372 30.603 1.00 38.03 ? 1246 HOH E O 1 HETATM 18663 O O . HOH DA 5 . ? 55.028 -18.005 33.438 1.00 33.80 ? 1247 HOH E O 1 HETATM 18664 O O . HOH DA 5 . ? 52.306 -15.009 28.684 1.00 39.28 ? 1248 HOH E O 1 HETATM 18665 O O . HOH DA 5 . ? 45.084 -20.707 27.458 1.00 42.34 ? 1249 HOH E O 1 HETATM 18666 O O . HOH DA 5 . ? 49.027 -20.391 27.112 1.00 39.70 ? 1250 HOH E O 1 HETATM 18667 O O . HOH DA 5 . ? 45.867 -24.758 34.080 1.00 36.78 ? 1251 HOH E O 1 HETATM 18668 O O . HOH DA 5 . ? 37.038 -18.164 33.950 1.00 38.53 ? 1252 HOH E O 1 HETATM 18669 O O . HOH DA 5 . ? 38.104 -20.519 35.039 1.00 44.57 ? 1253 HOH E O 1 HETATM 18670 O O . HOH DA 5 . ? 37.391 -23.657 41.587 1.00 37.97 ? 1254 HOH E O 1 HETATM 18671 O O . HOH DA 5 . ? 37.831 -21.587 43.378 1.00 28.32 ? 1255 HOH E O 1 HETATM 18672 O O . HOH DA 5 . ? 41.308 -21.009 45.945 1.00 28.11 ? 1256 HOH E O 1 HETATM 18673 O O . HOH DA 5 . ? 34.503 -19.686 40.475 1.00 35.23 ? 1257 HOH E O 1 HETATM 18674 O O . HOH DA 5 . ? 53.177 -18.197 51.098 1.00 38.87 ? 1258 HOH E O 1 HETATM 18675 O O . HOH DA 5 . ? 50.062 -6.385 61.731 1.00 43.86 ? 1259 HOH E O 1 HETATM 18676 O O . HOH DA 5 . ? 40.554 0.182 62.440 1.00 32.51 ? 1260 HOH E O 1 HETATM 18677 O O . HOH DA 5 . ? 37.509 -5.967 63.225 1.00 35.31 ? 1261 HOH E O 1 HETATM 18678 O O . HOH DA 5 . ? 35.581 -7.707 61.509 1.00 36.26 ? 1262 HOH E O 1 HETATM 18679 O O . HOH DA 5 . ? 34.844 -16.892 50.016 1.00 29.81 ? 1263 HOH E O 1 HETATM 18680 O O . HOH DA 5 . ? 32.741 -15.507 49.896 1.00 39.17 ? 1264 HOH E O 1 HETATM 18681 O O . HOH DA 5 . ? 27.312 -14.685 46.137 1.00 46.71 ? 1265 HOH E O 1 HETATM 18682 O O . HOH DA 5 . ? 34.204 9.713 57.315 1.00 26.61 ? 1351 HOH E O 1 HETATM 18683 O O . HOH DA 5 . ? 66.603 -6.371 50.153 1.00 52.24 ? 1352 HOH E O 1 HETATM 18684 O O . HOH DA 5 . ? 62.937 -2.205 53.273 1.00 44.23 ? 1353 HOH E O 1 HETATM 18685 O O . HOH DA 5 . ? 65.192 10.442 43.604 1.00 38.09 ? 1355 HOH E O 1 HETATM 18686 O O . HOH DA 5 . ? 35.762 -14.212 31.500 1.00 36.21 ? 1356 HOH E O 1 HETATM 18687 O O . HOH DA 5 . ? 57.049 5.231 28.026 1.00 43.09 ? 1357 HOH E O 1 HETATM 18688 O O . HOH DA 5 . ? 50.373 -23.860 32.497 1.00 43.91 ? 1359 HOH E O 1 HETATM 18689 O O . HOH DA 5 . ? 58.324 -16.249 48.681 1.00 34.09 ? 1361 HOH E O 1 HETATM 18690 O O . HOH DA 5 . ? 53.082 -7.612 60.050 1.00 40.68 ? 1362 HOH E O 1 HETATM 18691 O O . HOH DA 5 . ? 42.103 -21.820 31.027 1.00 31.00 ? 1375 HOH E O 1 HETATM 18692 O O . HOH DA 5 . ? 44.462 -1.513 64.145 1.00 34.81 ? 1381 HOH E O 1 HETATM 18693 O O . HOH DA 5 . ? 49.709 6.334 59.396 1.00 37.53 ? 1384 HOH E O 1 HETATM 18694 O O . HOH DA 5 . ? 36.164 -11.506 59.030 1.00 28.67 ? 1389 HOH E O 1 HETATM 18695 O O . HOH DA 5 . ? 29.494 -6.636 36.413 1.00 29.02 ? 1392 HOH E O 1 HETATM 18696 O O . HOH DA 5 . ? 67.111 4.161 43.199 1.00 24.45 ? 1409 HOH E O 1 HETATM 18697 O O . HOH DA 5 . ? 61.035 -3.292 51.515 1.00 35.99 ? 1413 HOH E O 1 HETATM 18698 O O . HOH DA 5 . ? 67.719 -5.343 27.891 1.00 32.72 ? 1417 HOH E O 1 HETATM 18699 O O . HOH DA 5 . ? 51.347 -21.955 28.991 1.00 41.08 ? 1419 HOH E O 1 HETATM 18700 O O . HOH DA 5 . ? 29.929 -5.492 31.111 1.00 34.20 ? 1421 HOH E O 1 HETATM 18701 O O . HOH DA 5 . ? 58.143 -4.993 52.504 1.00 36.93 ? 1423 HOH E O 1 HETATM 18702 O O . HOH DA 5 . ? 33.060 -14.194 39.019 1.00 40.92 ? 1424 HOH E O 1 HETATM 18703 O O . HOH DA 5 . ? 65.369 -1.412 25.588 1.00 31.63 ? 1426 HOH E O 1 HETATM 18704 O O . HOH DA 5 . ? 32.939 14.370 48.096 1.00 41.68 ? 1430 HOH E O 1 HETATM 18705 O O . HOH DA 5 . ? 49.221 -17.830 25.451 1.00 28.42 ? 1431 HOH E O 1 HETATM 18706 O O . HOH DA 5 . ? 43.988 -25.323 38.780 1.00 27.94 ? 1433 HOH E O 1 HETATM 18707 O O . HOH DA 5 . ? 55.971 -19.165 40.900 1.00 32.92 ? 1436 HOH E O 1 HETATM 18708 O O . HOH DA 5 . ? 31.295 -14.116 48.037 1.00 32.85 ? 1439 HOH E O 1 HETATM 18709 O O . HOH DA 5 . ? 50.233 -3.450 62.714 1.00 39.86 ? 1449 HOH E O 1 HETATM 18710 O O . HOH DA 5 . ? 48.968 -8.758 61.222 1.00 41.17 ? 1455 HOH E O 1 HETATM 18711 O O . HOH DA 5 . ? 33.768 9.324 34.951 1.00 34.60 ? 1461 HOH E O 1 HETATM 18712 O O . HOH DA 5 . ? 34.357 -6.126 62.952 1.00 44.00 ? 1466 HOH E O 1 HETATM 18713 O O . HOH DA 5 . ? 29.954 -9.538 58.290 1.00 37.81 ? 1472 HOH E O 1 HETATM 18714 O O . HOH DA 5 . ? 58.031 -2.778 53.150 1.00 38.70 ? 1531 HOH E O 1 HETATM 18715 O O . HOH DA 5 . ? 63.966 -6.621 52.093 1.00 49.18 ? 1532 HOH E O 1 HETATM 18716 O O . HOH DA 5 . ? 64.101 3.642 55.110 1.00 44.52 ? 1534 HOH E O 1 HETATM 18717 O O . HOH DA 5 . ? 34.294 8.979 32.356 1.00 41.18 ? 1536 HOH E O 1 HETATM 18718 O O . HOH DA 5 . ? 68.178 -4.291 46.434 1.00 50.75 ? 1537 HOH E 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 . HIS A 1 ? 0.3917 0.4346 0.3927 -0.0036 0.0043 0.0106 1 HIS A N 2 C CA . HIS A 1 ? 0.5745 0.6191 0.5764 -0.0036 0.0046 0.0114 1 HIS A CA 3 C C . HIS A 1 ? 0.5038 0.5468 0.5068 -0.0034 0.0045 0.0112 1 HIS A C 4 O O . HIS A 1 ? 0.3854 0.4299 0.3893 -0.0035 0.0047 0.0119 1 HIS A O 5 C CB . HIS A 1 ? 0.5322 0.5793 0.5332 -0.0031 0.0053 0.0108 1 HIS A CB 6 C CG . HIS A 1 ? 0.9169 0.9667 0.9187 -0.0033 0.0056 0.0120 1 HIS A CG 7 N ND1 . HIS A 1 ? 0.9577 1.0078 0.9608 -0.0041 0.0052 0.0137 1 HIS A ND1 8 C CD2 . HIS A 1 ? 1.0045 1.0566 1.0060 -0.0029 0.0062 0.0118 1 HIS A CD2 9 C CE1 . HIS A 1 ? 1.0100 1.0628 1.0137 -0.0042 0.0056 0.0145 1 HIS A CE1 10 N NE2 . HIS A 1 ? 1.0477 1.1017 1.0504 -0.0034 0.0063 0.0134 1 HIS A NE2 20 N N . THR A 2 ? 0.2343 0.2746 0.2374 -0.0032 0.0041 0.0104 2 THR A N 21 C CA . THR A 2 ? 0.1811 0.2200 0.1854 -0.0032 0.0039 0.0104 2 THR A CA 22 C C . THR A 2 ? 0.1623 0.1986 0.1671 -0.0036 0.0033 0.0107 2 THR A C 23 O O . THR A 2 ? 0.1500 0.1847 0.1540 -0.0035 0.0031 0.0100 2 THR A O 24 C CB . THR A 2 ? 0.2673 0.3053 0.2711 -0.0024 0.0043 0.0089 2 THR A CB 25 O OG1 . THR A 2 ? 0.3587 0.3990 0.3619 -0.0019 0.0049 0.0086 2 THR A OG1 26 C CG2 . THR A 2 ? 0.2485 0.2851 0.2534 -0.0024 0.0040 0.0090 2 THR A CG2 34 N N . ASP A 3 ? 0.1603 0.1961 0.1665 -0.0041 0.0030 0.0117 3 ASP A N 35 C CA . ASP A 3 ? 0.1384 0.1717 0.1452 -0.0045 0.0024 0.0119 3 ASP A CA 36 C C . ASP A 3 ? 0.1513 0.1828 0.1582 -0.0040 0.0023 0.0109 3 ASP A C 37 O O . ASP A 3 ? 0.1549 0.1866 0.1627 -0.0040 0.0023 0.0111 3 ASP A O 38 C CB . ASP A 3 ? 0.1574 0.1912 0.1655 -0.0053 0.0020 0.0135 3 ASP A CB 39 C CG . ASP A 3 ? 0.1939 0.2252 0.2027 -0.0056 0.0014 0.0137 3 ASP A CG 40 O OD1 . ASP A 3 ? 0.1417 0.1709 0.1500 -0.0053 0.0013 0.0127 3 ASP A OD1 41 O OD2 . ASP A 3 ? 0.1879 0.2192 0.1979 -0.0063 0.0011 0.0150 3 ASP A OD2 46 N N . LEU A 4 ? 0.1079 0.1375 0.1140 -0.0036 0.0023 0.0097 4 LEU A N 47 C CA . LEU A 4 ? 0.1307 0.1584 0.1368 -0.0031 0.0022 0.0087 4 LEU A CA 48 C C . LEU A 4 ? 0.1201 0.1456 0.1270 -0.0035 0.0017 0.0089 4 LEU A C 49 O O . LEU A 4 ? 0.1135 0.1371 0.1202 -0.0031 0.0015 0.0081 4 LEU A O 50 C CB . LEU A 4 ? 0.1086 0.1355 0.1134 -0.0025 0.0025 0.0072 4 LEU A CB 51 C CG . LEU A 4 ? 0.1167 0.1455 0.1207 -0.0019 0.0031 0.0067 4 LEU A CG 52 C CD1 . LEU A 4 ? 0.1633 0.1910 0.1660 -0.0013 0.0033 0.0052 4 LEU A CD1 53 C CD2 . LEU A 4 ? 0.1518 0.1814 0.1565 -0.0016 0.0033 0.0067 4 LEU A CD2 65 N N . SER A 5 ? 0.1172 0.1427 0.1248 -0.0042 0.0013 0.0101 5 SER A N 66 C CA . SER A 5 ? 0.1140 0.1374 0.1224 -0.0045 0.0008 0.0103 5 SER A CA 67 C C . SER A 5 ? 0.1039 0.1264 0.1129 -0.0043 0.0007 0.0099 5 SER A C 68 O O . SER A 5 ? 0.1412 0.1651 0.1508 -0.0043 0.0009 0.0103 5 SER A O 69 C CB . SER A 5 ? 0.1522 0.1762 0.1617 -0.0053 0.0004 0.0118 5 SER A CB 70 O OG . SER A 5 ? 0.1639 0.1884 0.1730 -0.0055 0.0004 0.0124 5 SER A OG 76 N N . GLY A 6 ? 0.1215 0.1418 0.1303 -0.0041 0.0005 0.0091 6 GLY A N 77 C CA . GLY A 6 ? 0.1346 0.1539 0.1439 -0.0039 0.0003 0.0087 6 GLY A CA 78 C C . GLY A 6 ? 0.1331 0.1527 0.1417 -0.0032 0.0007 0.0077 6 GLY A C 79 O O . GLY A 6 ? 0.1422 0.1613 0.1513 -0.0030 0.0006 0.0074 6 GLY A O 83 N N . LYS A 7 ? 0.1260 0.1464 0.1336 -0.0027 0.0011 0.0072 7 LYS A N 84 C CA . LYS A 7 ? 0.1142 0.1351 0.1212 -0.0020 0.0016 0.0062 7 LYS A CA 85 C C . LYS A 7 ? 0.1084 0.1279 0.1141 -0.0016 0.0017 0.0051 7 LYS A C 86 O O . LYS A 7 ? 0.1319 0.1508 0.1373 -0.0018 0.0016 0.0052 7 LYS A O 87 C CB . LYS A 7 ? 0.1382 0.1617 0.1451 -0.0019 0.0020 0.0065 7 LYS A CB 88 C CG . LYS A 7 ? 0.1811 0.2061 0.1892 -0.0024 0.0019 0.0077 7 LYS A CG 89 C CD . LYS A 7 ? 0.2468 0.2746 0.2549 -0.0022 0.0024 0.0080 7 LYS A CD 90 C CE . LYS A 7 ? 0.3767 0.4060 0.3861 -0.0026 0.0024 0.0089 7 LYS A CE 91 N NZ . LYS A 7 ? 0.5058 0.5351 0.5161 -0.0035 0.0019 0.0102 7 LYS A NZ 105 N N . VAL A 8 ? 0.1040 0.1231 0.1092 -0.0009 0.0020 0.0041 8 VAL A N 106 C CA . VAL A 8 ? 0.0806 0.0984 0.0847 -0.0004 0.0022 0.0030 8 VAL A CA 107 C C . VAL A 8 ? 0.0959 0.1148 0.0993 0.0003 0.0027 0.0023 8 VAL A C 108 O O . VAL A 8 ? 0.1200 0.1403 0.1239 0.0006 0.0029 0.0025 8 VAL A O 109 C CB . VAL A 8 ? 0.1354 0.1508 0.1394 -0.0001 0.0019 0.0024 8 VAL A CB 110 C CG1 . VAL A 8 ? 0.1832 0.1972 0.1876 -0.0007 0.0015 0.0028 8 VAL A CG1 111 C CG2 . VAL A 8 ? 0.1284 0.1438 0.1330 0.0002 0.0020 0.0023 8 VAL A CG2 121 N N . PHE A 9 ? 0.0921 0.1105 0.0944 0.0006 0.0029 0.0014 9 PHE A N 122 C CA . PHE A 9 ? 0.0890 0.1077 0.0906 0.0014 0.0034 0.0004 9 PHE A CA 123 C C . PHE A 9 ? 0.0971 0.1136 0.0986 0.0018 0.0033 -0.0004 9 PHE A C 124 O O . PHE A 9 ? 0.1055 0.1201 0.1067 0.0016 0.0030 -0.0006 9 PHE A O 125 C CB . PHE A 9 ? 0.0974 0.1164 0.0978 0.0015 0.0037 -0.0003 9 PHE A CB 126 C CG . PHE A 9 ? 0.1195 0.1407 0.1197 0.0012 0.0039 0.0003 9 PHE A CG 127 C CD1 . PHE A 9 ? 0.1362 0.1597 0.1369 0.0014 0.0042 0.0006 9 PHE A CD1 128 C CD2 . PHE A 9 ? 0.1290 0.1504 0.1287 0.0007 0.0037 0.0004 9 PHE A CD2 129 C CE1 . PHE A 9 ? 0.1547 0.1804 0.1551 0.0011 0.0044 0.0012 9 PHE A CE1 130 C CE2 . PHE A 9 ? 0.1176 0.1412 0.1171 0.0004 0.0039 0.0009 9 PHE A CE2 131 C CZ . PHE A 9 ? 0.1474 0.1732 0.1473 0.0006 0.0042 0.0014 9 PHE A CZ 141 N N . VAL A 10 ? 0.0944 0.1111 0.0961 0.0025 0.0036 -0.0007 10 VAL A N 142 C CA . VAL A 10 ? 0.1033 0.1181 0.1048 0.0030 0.0035 -0.0014 10 VAL A CA 143 C C . VAL A 10 ? 0.1052 0.1200 0.1058 0.0038 0.0040 -0.0025 10 VAL A C 144 O O . VAL A 10 ? 0.1091 0.1256 0.1097 0.0042 0.0044 -0.0026 10 VAL A O 145 C CB . VAL A 10 ? 0.1041 0.1193 0.1066 0.0032 0.0034 -0.0010 10 VAL A CB 146 C CG1 . VAL A 10 ? 0.1307 0.1439 0.1330 0.0038 0.0033 -0.0017 10 VAL A CG1 147 C CG2 . VAL A 10 ? 0.1249 0.1404 0.1283 0.0025 0.0030 0.0001 10 VAL A CG2 157 N N . PHE A 11 ? 0.1032 0.1161 0.1030 0.0039 0.0040 -0.0033 11 PHE A N 158 C CA . PHE A 11 ? 0.1179 0.1301 0.1168 0.0046 0.0044 -0.0044 11 PHE A CA 159 C C . PHE A 11 ? 0.1235 0.1341 0.1227 0.0052 0.0043 -0.0047 11 PHE A C 160 O O . PHE A 11 ? 0.1192 0.1279 0.1182 0.0050 0.0040 -0.0049 11 PHE A O 161 C CB . PHE A 11 ? 0.1327 0.1437 0.1306 0.0043 0.0044 -0.0050 11 PHE A CB 162 C CG . PHE A 11 ? 0.1111 0.1237 0.1087 0.0038 0.0044 -0.0047 11 PHE A CG 163 C CD1 . PHE A 11 ? 0.1331 0.1460 0.1313 0.0030 0.0040 -0.0038 11 PHE A CD1 164 C CD2 . PHE A 11 ? 0.1428 0.1567 0.1397 0.0040 0.0048 -0.0052 11 PHE A CD2 165 C CE1 . PHE A 11 ? 0.1508 0.1652 0.1488 0.0025 0.0040 -0.0033 11 PHE A CE1 166 C CE2 . PHE A 11 ? 0.1770 0.1925 0.1736 0.0035 0.0048 -0.0048 11 PHE A CE2 167 C CZ . PHE A 11 ? 0.1656 0.1814 0.1628 0.0027 0.0044 -0.0038 11 PHE A CZ 177 N N . PRO A 12 ? 0.1232 0.1347 0.1228 0.0058 0.0046 -0.0047 12 PRO A N 178 C CA . PRO A 12 ? 0.1138 0.1241 0.1140 0.0061 0.0043 -0.0045 12 PRO A CA 179 C C . PRO A 12 ? 0.1228 0.1312 0.1223 0.0069 0.0045 -0.0055 12 PRO A C 180 O O . PRO A 12 ? 0.1355 0.1430 0.1355 0.0072 0.0043 -0.0054 12 PRO A O 181 C CB . PRO A 12 ? 0.1313 0.1437 0.1324 0.0065 0.0045 -0.0040 12 PRO A CB 182 C CG . PRO A 12 ? 0.1278 0.1425 0.1289 0.0061 0.0047 -0.0037 12 PRO A CG 183 C CD . PRO A 12 ? 0.1301 0.1440 0.1300 0.0061 0.0049 -0.0045 12 PRO A CD 191 N N . ARG A 13 ? 0.1220 0.1300 0.1207 0.0071 0.0049 -0.0063 13 ARG A N 192 C CA . ARG A 13 ? 0.1495 0.1557 0.1475 0.0078 0.0051 -0.0072 13 ARG A CA 193 C C . ARG A 13 ? 0.1534 0.1586 0.1504 0.0076 0.0052 -0.0081 13 ARG A C 194 O O . ARG A 13 ? 0.1719 0.1783 0.1686 0.0072 0.0053 -0.0081 13 ARG A O 195 C CB . ARG A 13 ? 0.1520 0.1592 0.1502 0.0088 0.0055 -0.0076 13 ARG A CB 196 C CG . ARG A 13 ? 0.1881 0.1969 0.1858 0.0090 0.0060 -0.0081 13 ARG A CG 197 C CD . ARG A 13 ? 0.1988 0.2086 0.1965 0.0101 0.0065 -0.0085 13 ARG A CD 198 N NE . ARG A 13 ? 0.2097 0.2212 0.2069 0.0101 0.0069 -0.0089 13 ARG A NE 199 C CZ . ARG A 13 ? 0.2528 0.2658 0.2500 0.0109 0.0074 -0.0093 13 ARG A CZ 200 N NH1 . ARG A 13 ? 0.3044 0.3173 0.3021 0.0118 0.0076 -0.0094 13 ARG A NH1 201 N NH2 . ARG A 13 ? 0.2377 0.2522 0.2343 0.0109 0.0078 -0.0097 13 ARG A NH2 215 N N . GLU A 14 ? 0.1655 0.1686 0.1620 0.0080 0.0052 -0.0088 14 GLU A N 216 C CA . GLU A 14 ? 0.1430 0.1450 0.1385 0.0079 0.0054 -0.0097 14 GLU A CA 217 C C . GLU A 14 ? 0.1612 0.1642 0.1562 0.0086 0.0059 -0.0105 14 GLU A C 218 O O . GLU A 14 ? 0.2041 0.2073 0.1994 0.0095 0.0062 -0.0106 14 GLU A O 219 C CB . GLU A 14 ? 0.2248 0.2242 0.2200 0.0080 0.0053 -0.0101 14 GLU A CB 220 C CG . GLU A 14 ? 0.2371 0.2352 0.2313 0.0078 0.0054 -0.0111 14 GLU A CG 221 C CD . GLU A 14 ? 0.3379 0.3334 0.3319 0.0078 0.0052 -0.0113 14 GLU A CD 222 O OE1 . GLU A 14 ? 0.4431 0.4373 0.4367 0.0085 0.0054 -0.0120 14 GLU A OE1 223 O OE2 . GLU A 14 ? 0.2486 0.2434 0.2428 0.0072 0.0048 -0.0108 14 GLU A OE2 230 N N . SER A 15 ? 0.1779 0.1815 0.1722 0.0083 0.0061 -0.0110 15 SER A N 231 C CA . SER A 15 ? 0.1735 0.1781 0.1671 0.0089 0.0066 -0.0118 15 SER A CA 232 C C . SER A 15 ? 0.1868 0.1912 0.1794 0.0084 0.0066 -0.0126 15 SER A C 233 O O . SER A 15 ? 0.2109 0.2148 0.2034 0.0076 0.0062 -0.0123 15 SER A O 234 C CB . SER A 15 ? 0.2162 0.2236 0.2104 0.0091 0.0068 -0.0112 15 SER A CB 235 O OG . SER A 15 ? 0.2030 0.2119 0.1970 0.0082 0.0066 -0.0107 15 SER A OG 241 N N . VAL A 16 ? 0.1925 0.1975 0.1844 0.0090 0.0071 -0.0135 16 VAL A N 242 C CA . VAL A 16 ? 0.2365 0.2419 0.2274 0.0085 0.0071 -0.0142 16 VAL A CA 243 C C . VAL A 16 ? 0.2116 0.2199 0.2025 0.0085 0.0074 -0.0140 16 VAL A C 244 O O . VAL A 16 ? 0.3284 0.3374 0.3184 0.0083 0.0075 -0.0146 16 VAL A O 245 C CB . VAL A 16 ? 0.2896 0.2931 0.2796 0.0091 0.0074 -0.0157 16 VAL A CB 246 C CG1 . VAL A 16 ? 0.3004 0.3050 0.2904 0.0102 0.0080 -0.0163 16 VAL A CG1 247 C CG2 . VAL A 16 ? 0.3215 0.3249 0.3105 0.0084 0.0073 -0.0164 16 VAL A CG2 257 N N . THR A 17 ? 0.2166 0.2265 0.2083 0.0088 0.0075 -0.0131 17 THR A N 258 C CA . THR A 17 ? 0.2615 0.2743 0.2533 0.0088 0.0078 -0.0127 17 THR A CA 259 C C . THR A 17 ? 0.2053 0.2199 0.1979 0.0080 0.0075 -0.0113 17 THR A C 260 O O . THR A 17 ? 0.2472 0.2639 0.2395 0.0077 0.0076 -0.0110 17 THR A O 261 C CB . THR A 17 ? 0.3181 0.3320 0.3104 0.0099 0.0083 -0.0129 17 THR A CB 262 O OG1 . THR A 17 ? 0.4126 0.4257 0.4060 0.0101 0.0080 -0.0121 17 THR A OG1 263 C CG2 . THR A 17 ? 0.4776 0.4903 0.4690 0.0108 0.0087 -0.0143 17 THR A CG2 271 N N . ASP A 18 ? 0.1984 0.2122 0.1920 0.0078 0.0071 -0.0104 18 ASP A N 272 C CA . ASP A 18 ? 0.1732 0.1887 0.1677 0.0072 0.0068 -0.0091 18 ASP A CA 273 C C . ASP A 18 ? 0.1921 0.2077 0.1862 0.0062 0.0064 -0.0087 18 ASP A C 274 O O . ASP A 18 ? 0.1971 0.2107 0.1909 0.0058 0.0061 -0.0089 18 ASP A O 275 C CB . ASP A 18 ? 0.1735 0.1881 0.1691 0.0072 0.0065 -0.0083 18 ASP A CB 276 C CG . ASP A 18 ? 0.1752 0.1893 0.1710 0.0081 0.0068 -0.0087 18 ASP A CG 277 O OD1 . ASP A 18 ? 0.2011 0.2166 0.1967 0.0088 0.0073 -0.0091 18 ASP A OD1 278 O OD2 . ASP A 18 ? 0.1862 0.1987 0.1826 0.0082 0.0065 -0.0084 18 ASP A OD2 283 N N . HIS A 19 ? 0.1790 0.1969 0.1732 0.0057 0.0065 -0.0080 19 HIS A N 284 C CA . HIS A 19 ? 0.1700 0.1882 0.1639 0.0048 0.0061 -0.0075 19 HIS A CA 285 C C . HIS A 19 ? 0.1659 0.1867 0.1603 0.0044 0.0061 -0.0063 19 HIS A C 286 O O . HIS A 19 ? 0.1758 0.1984 0.1706 0.0048 0.0065 -0.0061 19 HIS A O 287 C CB . HIS A 19 ? 0.1869 0.2046 0.1795 0.0047 0.0062 -0.0086 19 HIS A CB 288 C CG . HIS A 19 ? 0.1880 0.2076 0.1799 0.0052 0.0067 -0.0092 19 HIS A CG 289 N ND1 . HIS A 19 ? 0.2371 0.2566 0.2286 0.0061 0.0072 -0.0102 19 HIS A ND1 290 C CD2 . HIS A 19 ? 0.2055 0.2271 0.1967 0.0048 0.0068 -0.0091 19 HIS A CD2 291 C CE1 . HIS A 19 ? 0.2400 0.2614 0.2307 0.0063 0.0076 -0.0107 19 HIS A CE1 292 N NE2 . HIS A 19 ? 0.2292 0.2520 0.2197 0.0055 0.0074 -0.0100 19 HIS A NE2 300 N N . VAL A 20 ? 0.1309 0.1519 0.1254 0.0035 0.0057 -0.0056 20 VAL A N 301 C CA . VAL A 20 ? 0.1378 0.1611 0.1326 0.0030 0.0057 -0.0045 20 VAL A CA 302 C C . VAL A 20 ? 0.1642 0.1883 0.1581 0.0025 0.0056 -0.0047 20 VAL A C 303 O O . VAL A 20 ? 0.1603 0.1828 0.1538 0.0022 0.0053 -0.0050 20 VAL A O 304 C CB . VAL A 20 ? 0.1451 0.1682 0.1412 0.0024 0.0052 -0.0032 20 VAL A CB 305 C CG1 . VAL A 20 ? 0.1830 0.2086 0.1795 0.0018 0.0052 -0.0020 20 VAL A CG1 306 C CG2 . VAL A 20 ? 0.1435 0.1660 0.1405 0.0028 0.0052 -0.0029 20 VAL A CG2 316 N N . ASN A 21 ? 0.1332 0.1597 0.1266 0.0026 0.0060 -0.0046 21 ASN A N 317 C CA . ASN A 21 ? 0.1377 0.1653 0.1303 0.0021 0.0059 -0.0046 21 ASN A CA 318 C C . ASN A 21 ? 0.1420 0.1709 0.1354 0.0013 0.0055 -0.0029 21 ASN A C 319 O O . ASN A 21 ? 0.1533 0.1837 0.1475 0.0013 0.0056 -0.0019 21 ASN A O 320 C CB . ASN A 21 ? 0.1591 0.1888 0.1507 0.0025 0.0064 -0.0053 21 ASN A CB 321 C CG . ASN A 21 ? 0.1903 0.2187 0.1810 0.0033 0.0068 -0.0069 21 ASN A CG 322 O OD1 . ASN A 21 ? 0.2132 0.2393 0.2036 0.0033 0.0066 -0.0078 21 ASN A OD1 323 N ND2 . ASN A 21 ? 0.2163 0.2463 0.2068 0.0040 0.0074 -0.0073 21 ASN A ND2 330 N N . LEU A 22 ? 0.1508 0.1791 0.1440 0.0007 0.0051 -0.0027 22 LEU A N 331 C CA . LEU A 22 ? 0.1379 0.1673 0.1318 -0.0001 0.0047 -0.0011 22 LEU A CA 332 C C . LEU A 22 ? 0.1644 0.1959 0.1574 -0.0003 0.0048 -0.0010 22 LEU A C 333 O O . LEU A 22 ? 0.1947 0.2258 0.1866 -0.0004 0.0047 -0.0020 22 LEU A O 334 C CB . LEU A 22 ? 0.1378 0.1652 0.1323 -0.0005 0.0041 -0.0008 22 LEU A CB 335 C CG . LEU A 22 ? 0.1260 0.1511 0.1212 -0.0003 0.0040 -0.0009 22 LEU A CG 336 C CD1 . LEU A 22 ? 0.1576 0.1808 0.1533 -0.0007 0.0035 -0.0005 22 LEU A CD1 337 C CD2 . LEU A 22 ? 0.1907 0.2168 0.1871 -0.0002 0.0041 0.0000 22 LEU A CD2 349 N N . ILE A 23 ? 0.1656 0.1995 0.1590 -0.0006 0.0049 0.0001 23 ILE A N 350 C CA . ILE A 23 ? 0.1756 0.2119 0.1680 -0.0008 0.0050 0.0003 23 ILE A CA 351 C C . ILE A 23 ? 0.1700 0.2070 0.1629 -0.0016 0.0046 0.0017 23 ILE A C 352 O O . ILE A 23 ? 0.2089 0.2460 0.2030 -0.0020 0.0043 0.0031 23 ILE A O 353 C CB . ILE A 23 ? 0.2511 0.2900 0.2437 -0.0005 0.0056 0.0008 23 ILE A CB 354 C CG1 . ILE A 23 ? 0.2931 0.3314 0.2854 0.0003 0.0061 -0.0005 23 ILE A CG1 355 C CG2 . ILE A 23 ? 0.2429 0.2844 0.2345 -0.0007 0.0058 0.0009 23 ILE A CG2 356 C CD1 . ILE A 23 ? 0.3877 0.4246 0.3788 0.0008 0.0062 -0.0023 23 ILE A CD1 368 N N . THR A 24 ? 0.2442 0.2815 0.2361 -0.0019 0.0044 0.0013 24 THR A N 369 C CA . THR A 24 ? 0.2280 0.2660 0.2202 -0.0026 0.0039 0.0026 24 THR A CA 370 C C . THR A 24 ? 0.2512 0.2918 0.2423 -0.0027 0.0040 0.0027 24 THR A C 371 O O . THR A 24 ? 0.2659 0.3068 0.2557 -0.0024 0.0043 0.0013 24 THR A O 372 C CB . THR A 24 ? 0.2703 0.3060 0.2627 -0.0028 0.0034 0.0023 24 THR A CB 373 O OG1 . THR A 24 ? 0.2484 0.2849 0.2410 -0.0035 0.0029 0.0035 24 THR A OG1 374 C CG2 . THR A 24 ? 0.2894 0.3243 0.2805 -0.0026 0.0035 0.0006 24 THR A CG2 382 N N . PRO A 25 ? 0.3513 0.3937 0.3428 -0.0033 0.0038 0.0042 25 PRO A N 383 C CA . PRO A 25 ? 0.4981 0.5431 0.4885 -0.0035 0.0039 0.0044 25 PRO A CA 384 C C . PRO A 25 ? 0.4843 0.5288 0.4740 -0.0039 0.0034 0.0040 25 PRO A C 385 O O . PRO A 25 ? 0.4368 0.4834 0.4254 -0.0041 0.0034 0.0041 25 PRO A O 386 C CB . PRO A 25 ? 0.4638 0.5107 0.4552 -0.0039 0.0038 0.0064 25 PRO A CB 387 C CG . PRO A 25 ? 0.4374 0.4821 0.4303 -0.0042 0.0034 0.0073 25 PRO A CG 388 C CD . PRO A 25 ? 0.3486 0.3908 0.3417 -0.0037 0.0035 0.0059 25 PRO A CD 396 N N . LEU A 26 ? 0.3896 0.4316 0.3797 -0.0039 0.0031 0.0036 26 LEU A N 397 C CA . LEU A 26 ? 0.3086 0.3501 0.2982 -0.0043 0.0026 0.0033 26 LEU A CA 398 C C . LEU A 26 ? 0.3835 0.4259 0.3713 -0.0042 0.0028 0.0018 26 LEU A C 399 O O . LEU A 26 ? 0.4894 0.5308 0.4766 -0.0037 0.0032 0.0003 26 LEU A O 400 C CB . LEU A 26 ? 0.3151 0.3536 0.3053 -0.0042 0.0023 0.0027 26 LEU A CB 401 C CG . LEU A 26 ? 0.3239 0.3616 0.3136 -0.0046 0.0018 0.0023 26 LEU A CG 402 C CD1 . LEU A 26 ? 0.3146 0.3531 0.3051 -0.0051 0.0013 0.0040 26 LEU A CD1 403 C CD2 . LEU A 26 ? 0.3711 0.4058 0.3610 -0.0044 0.0017 0.0012 26 LEU A CD2 415 N N . GLU A 27 ? 0.4169 0.4612 0.4040 -0.0046 0.0026 0.0022 27 GLU A N 416 C CA . GLU A 27 ? 0.4900 0.5353 0.4753 -0.0045 0.0027 0.0008 27 GLU A CA 417 C C . GLU A 27 ? 0.6178 0.6629 0.6026 -0.0050 0.0022 0.0004 27 GLU A C 418 O O . GLU A 27 ? 0.6138 0.6595 0.5972 -0.0050 0.0022 -0.0009 27 GLU A O 419 C CB . GLU A 27 ? 0.5772 0.6258 0.5619 -0.0045 0.0031 0.0014 27 GLU A CB 420 C CG . GLU A 27 ? 0.6493 0.6997 0.6348 -0.0050 0.0028 0.0035 27 GLU A CG 421 C CD . GLU A 27 ? 0.9378 0.9915 0.9226 -0.0050 0.0032 0.0042 27 GLU A CD 422 O OE1 . GLU A 27 ? 0.9695 1.0244 0.9528 -0.0047 0.0035 0.0029 27 GLU A OE1 423 O OE2 . GLU A 27 ? 0.9272 0.9823 0.9129 -0.0052 0.0031 0.0060 27 GLU A OE2 430 N N . LYS A 28 ? 0.4620 0.5062 0.4479 -0.0054 0.0017 0.0016 28 LYS A N 431 C CA . LYS A 28 ? 0.3503 0.3943 0.3359 -0.0058 0.0011 0.0014 28 LYS A CA 432 C C . LYS A 28 ? 0.3604 0.4012 0.3464 -0.0058 0.0009 0.0005 28 LYS A C 433 O O . LYS A 28 ? 0.3250 0.3641 0.3122 -0.0055 0.0010 0.0008 28 LYS A O 434 C CB . LYS A 28 ? 0.4203 0.4655 0.4068 -0.0063 0.0006 0.0033 28 LYS A CB 435 C CG . LYS A 28 ? 0.6907 0.7390 0.6766 -0.0064 0.0008 0.0044 28 LYS A CG 436 C CD . LYS A 28 ? 0.6583 0.7080 0.6451 -0.0068 0.0003 0.0064 28 LYS A CD 437 C CE . LYS A 28 ? 0.7224 0.7754 0.7083 -0.0070 0.0004 0.0072 28 LYS A CE 438 N NZ . LYS A 28 ? 0.7542 0.8086 0.7408 -0.0074 0.0000 0.0092 28 LYS A NZ 452 N N . PRO A 29 ? 0.3565 0.3969 0.3418 -0.0060 0.0006 -0.0006 29 PRO A N 453 C CA . PRO A 29 ? 0.2925 0.3300 0.2782 -0.0060 0.0004 -0.0014 29 PRO A CA 454 C C . PRO A 29 ? 0.2834 0.3199 0.2708 -0.0062 0.0001 0.0000 29 PRO A C 455 O O . PRO A 29 ? 0.2931 0.3310 0.2809 -0.0065 -0.0003 0.0015 29 PRO A O 456 C CB . PRO A 29 ? 0.2859 0.3238 0.2706 -0.0064 0.0001 -0.0025 29 PRO A CB 457 C CG . PRO A 29 ? 0.4093 0.4497 0.3926 -0.0064 0.0004 -0.0030 29 PRO A CG 458 C CD . PRO A 29 ? 0.4028 0.4451 0.3866 -0.0063 0.0005 -0.0012 29 PRO A CD 466 N N . LEU A 30 ? 0.2067 0.2406 0.1948 -0.0060 0.0001 -0.0005 30 LEU A N 467 C CA . LEU A 30 ? 0.2123 0.2449 0.2018 -0.0060 -0.0002 0.0007 30 LEU A CA 468 C C . LEU A 30 ? 0.1875 0.2190 0.1772 -0.0064 -0.0007 0.0005 30 LEU A C 469 O O . LEU A 30 ? 0.2119 0.2421 0.2010 -0.0064 -0.0006 -0.0009 30 LEU A O 470 C CB . LEU A 30 ? 0.2505 0.2808 0.2407 -0.0056 0.0001 0.0003 30 LEU A CB 471 C CG . LEU A 30 ? 0.2910 0.3218 0.2815 -0.0052 0.0005 0.0008 30 LEU A CG 472 C CD1 . LEU A 30 ? 0.2980 0.3264 0.2892 -0.0048 0.0007 0.0002 30 LEU A CD1 473 C CD2 . LEU A 30 ? 0.3318 0.3640 0.3234 -0.0054 0.0003 0.0027 30 LEU A CD2 485 N N . GLN A 31 ? 0.1775 0.2096 0.1680 -0.0066 -0.0011 0.0018 31 GLN A N 486 C CA . GLN A 31 ? 0.1764 0.2076 0.1675 -0.0069 -0.0015 0.0019 31 GLN A CA 487 C C . GLN A 31 ? 0.1678 0.1968 0.1602 -0.0067 -0.0016 0.0024 31 GLN A C 488 O O . GLN A 31 ? 0.1953 0.2228 0.1880 -0.0068 -0.0018 0.0020 31 GLN A O 489 C CB . GLN A 31 ? 0.2447 0.2780 0.2359 -0.0073 -0.0020 0.0030 31 GLN A CB 490 C CG . GLN A 31 ? 0.4313 0.4671 0.4211 -0.0075 -0.0019 0.0027 31 GLN A CG 491 C CD . GLN A 31 ? 0.5675 0.6051 0.5572 -0.0080 -0.0025 0.0035 31 GLN A CD 492 O OE1 . GLN A 31 ? 0.5786 0.6155 0.5685 -0.0082 -0.0028 0.0032 31 GLN A OE1 493 N NE2 . GLN A 31 ? 0.6517 0.6918 0.6411 -0.0081 -0.0025 0.0045 31 GLN A NE2 502 N N . ASN A 32 ? 0.1305 0.1594 0.1237 -0.0064 -0.0014 0.0034 32 ASN A N 503 C CA . ASN A 32 ? 0.1249 0.1519 0.1194 -0.0063 -0.0014 0.0040 32 ASN A CA 504 C C . ASN A 32 ? 0.1183 0.1447 0.1130 -0.0059 -0.0010 0.0039 32 ASN A C 505 O O . ASN A 32 ? 0.1309 0.1589 0.1253 -0.0058 -0.0008 0.0042 32 ASN A O 506 C CB . ASN A 32 ? 0.1244 0.1522 0.1200 -0.0064 -0.0018 0.0057 32 ASN A CB 507 C CG . ASN A 32 ? 0.1584 0.1873 0.1541 -0.0068 -0.0023 0.0061 32 ASN A CG 508 O OD1 . ASN A 32 ? 0.1805 0.2084 0.1759 -0.0069 -0.0024 0.0053 32 ASN A OD1 509 N ND2 . ASN A 32 ? 0.2122 0.2430 0.2082 -0.0069 -0.0025 0.0075 32 ASN A ND2 514 N N . PHE A 33 ? 0.1027 0.1269 0.0980 -0.0056 -0.0009 0.0035 33 PHE A N 515 C CA . PHE A 33 ? 0.0906 0.1143 0.0864 -0.0053 -0.0006 0.0037 33 PHE A CA 516 C C . PHE A 33 ? 0.0655 0.0869 0.0623 -0.0051 -0.0007 0.0038 33 PHE A C 517 O O . PHE A 33 ? 0.0834 0.1035 0.0804 -0.0051 -0.0009 0.0034 33 PHE A O 518 C CB . PHE A 33 ? 0.1028 0.1264 0.0975 -0.0050 -0.0001 0.0024 33 PHE A CB 519 C CG . PHE A 33 ? 0.1062 0.1278 0.1005 -0.0048 0.0000 0.0010 33 PHE A CG 520 C CD1 . PHE A 33 ? 0.1326 0.1523 0.1275 -0.0044 0.0001 0.0007 33 PHE A CD1 521 C CD2 . PHE A 33 ? 0.1262 0.1479 0.1196 -0.0050 -0.0001 0.0000 33 PHE A CD2 522 C CE1 . PHE A 33 ? 0.1568 0.1746 0.1513 -0.0043 0.0002 -0.0005 33 PHE A CE1 523 C CE2 . PHE A 33 ? 0.1240 0.1437 0.1170 -0.0048 0.0000 -0.0013 33 PHE A CE2 524 C CZ . PHE A 33 ? 0.1196 0.1374 0.1132 -0.0045 0.0002 -0.0014 33 PHE A CZ 534 N N . THR A 34 ? 0.0811 0.1022 0.0786 -0.0049 -0.0005 0.0043 34 THR A N 535 C CA . THR A 34 ? 0.0686 0.0876 0.0669 -0.0047 -0.0005 0.0042 34 THR A CA 536 C C . THR A 34 ? 0.0866 0.1056 0.0847 -0.0043 -0.0001 0.0038 34 THR A C 537 O O . THR A 34 ? 0.0982 0.1188 0.0963 -0.0044 0.0000 0.0044 34 THR A O 538 C CB . THR A 34 ? 0.0773 0.0959 0.0768 -0.0048 -0.0008 0.0055 34 THR A CB 539 O OG1 . THR A 34 ? 0.0914 0.1103 0.0911 -0.0051 -0.0012 0.0060 34 THR A OG1 540 C CG2 . THR A 34 ? 0.1013 0.1177 0.1015 -0.0046 -0.0008 0.0053 34 THR A CG2 548 N N . LEU A 35 ? 0.0709 0.0880 0.0690 -0.0040 0.0000 0.0029 35 LEU A N 549 C CA . LEU A 35 ? 0.0824 0.0993 0.0804 -0.0037 0.0004 0.0025 35 LEU A CA 550 C C . LEU A 35 ? 0.0870 0.1019 0.0859 -0.0035 0.0003 0.0026 35 LEU A C 551 O O . LEU A 35 ? 0.0935 0.1068 0.0924 -0.0035 0.0001 0.0021 35 LEU A O 552 C CB . LEU A 35 ? 0.1094 0.1260 0.1063 -0.0034 0.0007 0.0011 35 LEU A CB 553 C CG . LEU A 35 ? 0.1109 0.1267 0.1077 -0.0029 0.0010 0.0004 35 LEU A CG 554 C CD1 . LEU A 35 ? 0.1349 0.1526 0.1318 -0.0028 0.0013 0.0010 35 LEU A CD1 555 C CD2 . LEU A 35 ? 0.1478 0.1628 0.1435 -0.0026 0.0013 -0.0010 35 LEU A CD2 567 N N . CYS A 36 ? 0.0934 0.1086 0.0931 -0.0034 0.0003 0.0033 36 CYS A N 568 C CA . CYS A 36 ? 0.0951 0.1085 0.0955 -0.0033 0.0002 0.0033 36 CYS A CA 569 C C . CYS A 36 ? 0.1150 0.1287 0.1154 -0.0030 0.0005 0.0030 36 CYS A C 570 O O . CYS A 36 ? 0.1081 0.1235 0.1084 -0.0029 0.0008 0.0033 36 CYS A O 571 C CB . CYS A 36 ? 0.1746 0.1880 0.1762 -0.0036 -0.0001 0.0046 36 CYS A CB 572 S SG . CYS A 36 ? 0.1773 0.1904 0.1793 -0.0039 -0.0005 0.0052 36 CYS A SG 577 N N . PHE A 37 ? 0.0985 0.1105 0.0991 -0.0027 0.0006 0.0025 37 PHE A N 578 C CA . PHE A 37 ? 0.0810 0.0930 0.0818 -0.0023 0.0008 0.0023 37 PHE A CA 579 C C . PHE A 37 ? 0.0929 0.1030 0.0941 -0.0021 0.0007 0.0019 37 PHE A C 580 O O . PHE A 37 ? 0.0999 0.1085 0.1011 -0.0022 0.0005 0.0017 37 PHE A O 581 C CB . PHE A 37 ? 0.0961 0.1088 0.0959 -0.0019 0.0012 0.0013 37 PHE A CB 582 C CG . PHE A 37 ? 0.1031 0.1146 0.1021 -0.0017 0.0013 0.0002 37 PHE A CG 583 C CD1 . PHE A 37 ? 0.1228 0.1325 0.1217 -0.0013 0.0014 -0.0005 37 PHE A CD1 584 C CD2 . PHE A 37 ? 0.1369 0.1488 0.1352 -0.0020 0.0013 0.0000 37 PHE A CD2 585 C CE1 . PHE A 37 ? 0.1568 0.1653 0.1550 -0.0012 0.0015 -0.0015 37 PHE A CE1 586 C CE2 . PHE A 37 ? 0.1534 0.1640 0.1509 -0.0018 0.0013 -0.0011 37 PHE A CE2 587 C CZ . PHE A 37 ? 0.1462 0.1551 0.1437 -0.0015 0.0014 -0.0018 37 PHE A CZ 597 N N . ARG A 38 ? 0.0962 0.1063 0.0979 -0.0019 0.0008 0.0020 38 ARG A N 598 C CA . ARG A 38 ? 0.0961 0.1044 0.0981 -0.0017 0.0006 0.0017 38 ARG A CA 599 C C . ARG A 38 ? 0.0973 0.1054 0.0987 -0.0011 0.0010 0.0008 38 ARG A C 600 O O . ARG A 38 ? 0.1358 0.1453 0.1370 -0.0009 0.0013 0.0007 38 ARG A O 601 C CB . ARG A 38 ? 0.1525 0.1612 0.1556 -0.0019 0.0004 0.0026 38 ARG A CB 602 C CG . ARG A 38 ? 0.2933 0.3004 0.2970 -0.0021 0.0000 0.0029 38 ARG A CG 603 C CD . ARG A 38 ? 0.2059 0.2135 0.2107 -0.0024 -0.0002 0.0038 38 ARG A CD 604 N NE . ARG A 38 ? 0.1881 0.1967 0.1935 -0.0029 -0.0004 0.0048 38 ARG A NE 605 C CZ . ARG A 38 ? 0.1729 0.1806 0.1786 -0.0032 -0.0007 0.0052 38 ARG A CZ 606 N NH1 . ARG A 38 ? 0.1822 0.1881 0.1879 -0.0030 -0.0008 0.0047 38 ARG A NH1 607 N NH2 . ARG A 38 ? 0.2416 0.2502 0.2478 -0.0036 -0.0008 0.0062 38 ARG A NH2 621 N N . ALA A 39 ? 0.0898 0.0961 0.0909 -0.0009 0.0010 0.0001 39 ALA A N 622 C CA . ALA A 39 ? 0.1000 0.1059 0.1006 -0.0003 0.0013 -0.0008 39 ALA A CA 623 C C . ALA A 39 ? 0.0949 0.0992 0.0958 -0.0001 0.0011 -0.0010 39 ALA A C 624 O O . ALA A 39 ? 0.1071 0.1102 0.1083 -0.0003 0.0009 -0.0008 39 ALA A O 625 C CB . ALA A 39 ? 0.1127 0.1181 0.1122 -0.0002 0.0015 -0.0017 39 ALA A CB 631 N N . TYR A 40 ? 0.0946 0.0989 0.0953 0.0005 0.0014 -0.0014 40 TYR A N 632 C CA . TYR A 40 ? 0.0997 0.1026 0.1007 0.0007 0.0013 -0.0016 40 TYR A CA 633 C C . TYR A 40 ? 0.1014 0.1040 0.1018 0.0014 0.0016 -0.0024 40 TYR A C 634 O O . TYR A 40 ? 0.1128 0.1166 0.1133 0.0017 0.0019 -0.0025 40 TYR A O 635 C CB . TYR A 40 ? 0.0881 0.0917 0.0901 0.0006 0.0010 -0.0009 40 TYR A CB 636 C CG . TYR A 40 ? 0.0721 0.0744 0.0743 0.0008 0.0008 -0.0010 40 TYR A CG 637 C CD1 . TYR A 40 ? 0.0911 0.0916 0.0929 0.0009 0.0007 -0.0014 40 TYR A CD1 638 C CD2 . TYR A 40 ? 0.0824 0.0854 0.0854 0.0008 0.0007 -0.0005 40 TYR A CD2 639 C CE1 . TYR A 40 ? 0.1077 0.1071 0.1098 0.0011 0.0005 -0.0015 40 TYR A CE1 640 C CE2 . TYR A 40 ? 0.0995 0.1014 0.1027 0.0009 0.0004 -0.0006 40 TYR A CE2 641 C CZ . TYR A 40 ? 0.1020 0.1021 0.1047 0.0011 0.0004 -0.0011 40 TYR A CZ 642 O OH . TYR A 40 ? 0.1221 0.1213 0.1251 0.0012 0.0001 -0.0011 40 TYR A OH 652 N N . SER A 41 ? 0.1072 0.1081 0.1071 0.0016 0.0016 -0.0030 41 SER A N 653 C CA . SER A 41 ? 0.0977 0.0979 0.0969 0.0022 0.0019 -0.0039 41 SER A CA 654 C C . SER A 41 ? 0.1100 0.1083 0.1091 0.0023 0.0018 -0.0041 41 SER A C 655 O O . SER A 41 ? 0.1342 0.1316 0.1333 0.0019 0.0016 -0.0040 41 SER A O 656 C CB . SER A 41 ? 0.1115 0.1117 0.1098 0.0021 0.0022 -0.0045 41 SER A CB 657 O OG . SER A 41 ? 0.1272 0.1265 0.1249 0.0027 0.0025 -0.0053 41 SER A OG 663 N N . ASP A 42 ? 0.0935 0.0911 0.0923 0.0029 0.0020 -0.0045 42 ASP A N 664 C CA . ASP A 42 ? 0.1025 0.0983 0.1011 0.0031 0.0019 -0.0048 42 ASP A CA 665 C C . ASP A 42 ? 0.1158 0.1106 0.1136 0.0035 0.0022 -0.0056 42 ASP A C 666 O O . ASP A 42 ? 0.1317 0.1251 0.1293 0.0039 0.0022 -0.0059 42 ASP A O 667 C CB . ASP A 42 ? 0.1267 0.1224 0.1259 0.0035 0.0017 -0.0045 42 ASP A CB 668 C CG . ASP A 42 ? 0.1196 0.1163 0.1189 0.0041 0.0020 -0.0046 42 ASP A CG 669 O OD1 . ASP A 42 ? 0.1385 0.1355 0.1374 0.0044 0.0023 -0.0051 42 ASP A OD1 670 O OD2 . ASP A 42 ? 0.1357 0.1329 0.1357 0.0042 0.0018 -0.0041 42 ASP A OD2 675 N N . LEU A 43 ? 0.1075 0.1030 0.1049 0.0034 0.0024 -0.0060 43 LEU A N 676 C CA . LEU A 43 ? 0.1344 0.1287 0.1310 0.0036 0.0027 -0.0069 43 LEU A CA 677 C C . LEU A 43 ? 0.1212 0.1141 0.1176 0.0031 0.0025 -0.0069 43 LEU A C 678 O O . LEU A 43 ? 0.1567 0.1500 0.1533 0.0026 0.0022 -0.0065 43 LEU A O 679 C CB . LEU A 43 ? 0.1382 0.1336 0.1343 0.0036 0.0029 -0.0073 43 LEU A CB 680 C CG . LEU A 43 ? 0.1398 0.1366 0.1359 0.0041 0.0032 -0.0074 43 LEU A CG 681 C CD1 . LEU A 43 ? 0.1333 0.1313 0.1289 0.0039 0.0034 -0.0077 43 LEU A CD1 682 C CD2 . LEU A 43 ? 0.1552 0.1510 0.1511 0.0049 0.0035 -0.0080 43 LEU A CD2 694 N N . SER A 44 ? 0.1839 0.1751 0.1798 0.0034 0.0026 -0.0074 44 SER A N 695 C CA . SER A 44 ? 0.1995 0.1894 0.1951 0.0029 0.0025 -0.0076 44 SER A CA 696 C C . SER A 44 ? 0.1662 0.1558 0.1611 0.0027 0.0027 -0.0083 44 SER A C 697 O O . SER A 44 ? 0.2288 0.2179 0.2235 0.0022 0.0025 -0.0084 44 SER A O 698 C CB . SER A 44 ? 0.2466 0.2348 0.2421 0.0033 0.0025 -0.0077 44 SER A CB 699 O OG . SER A 44 ? 0.3404 0.3287 0.3364 0.0032 0.0022 -0.0070 44 SER A OG 705 N N . ARG A 45 ? 0.1453 0.1351 0.1398 0.0032 0.0029 -0.0089 45 ARG A N 706 C CA . ARG A 45 ? 0.1578 0.1474 0.1516 0.0030 0.0031 -0.0097 45 ARG A CA 707 C C . ARG A 45 ? 0.1818 0.1731 0.1755 0.0025 0.0030 -0.0095 45 ARG A C 708 O O . ARG A 45 ? 0.1682 0.1609 0.1626 0.0023 0.0028 -0.0087 45 ARG A O 709 C CB . ARG A 45 ? 0.1666 0.1562 0.1600 0.0037 0.0035 -0.0104 45 ARG A CB 710 C CG . ARG A 45 ? 0.1455 0.1370 0.1392 0.0041 0.0036 -0.0101 45 ARG A CG 711 C CD . ARG A 45 ? 0.1905 0.1822 0.1836 0.0046 0.0040 -0.0110 45 ARG A CD 712 N NE . ARG A 45 ? 0.1919 0.1852 0.1853 0.0052 0.0042 -0.0107 45 ARG A NE 713 C CZ . ARG A 45 ? 0.1566 0.1521 0.1502 0.0050 0.0042 -0.0104 45 ARG A CZ 714 N NH1 . ARG A 45 ? 0.1492 0.1452 0.1425 0.0042 0.0040 -0.0104 45 ARG A NH1 715 N NH2 . ARG A 45 ? 0.1724 0.1693 0.1664 0.0055 0.0044 -0.0102 45 ARG A NH2 729 N N . ALA A 46 ? 0.1853 0.1766 0.1784 0.0022 0.0031 -0.0101 46 ALA A N 730 C CA . ALA A 46 ? 0.2028 0.1957 0.1958 0.0016 0.0030 -0.0100 46 ALA A CA 731 C C . ALA A 46 ? 0.1802 0.1748 0.1732 0.0020 0.0032 -0.0100 46 ALA A C 732 O O . ALA A 46 ? 0.1848 0.1793 0.1777 0.0027 0.0035 -0.0104 46 ALA A O 733 C CB . ALA A 46 ? 0.2130 0.2053 0.2053 0.0013 0.0030 -0.0108 46 ALA A CB 739 N N . TYR A 47 ? 0.1419 0.1383 0.1351 0.0016 0.0030 -0.0094 47 TYR A N 740 C CA . TYR A 47 ? 0.1511 0.1493 0.1443 0.0019 0.0032 -0.0093 47 TYR A CA 741 C C . TYR A 47 ? 0.1375 0.1376 0.1307 0.0013 0.0031 -0.0089 47 TYR A C 742 O O . TYR A 47 ? 0.1303 0.1303 0.1238 0.0007 0.0027 -0.0084 47 TYR A O 743 C CB . TYR A 47 ? 0.1579 0.1568 0.1519 0.0023 0.0033 -0.0086 47 TYR A CB 744 C CG . TYR A 47 ? 0.1371 0.1358 0.1319 0.0019 0.0029 -0.0076 47 TYR A CG 745 C CD1 . TYR A 47 ? 0.1252 0.1255 0.1205 0.0015 0.0027 -0.0068 47 TYR A CD1 746 C CD2 . TYR A 47 ? 0.1093 0.1064 0.1044 0.0021 0.0028 -0.0075 47 TYR A CD2 747 C CE1 . TYR A 47 ? 0.1259 0.1260 0.1220 0.0012 0.0024 -0.0060 47 TYR A CE1 748 C CE2 . TYR A 47 ? 0.1231 0.1201 0.1190 0.0018 0.0024 -0.0067 47 TYR A CE2 749 C CZ . TYR A 47 ? 0.1424 0.1409 0.1388 0.0013 0.0023 -0.0060 47 TYR A CZ 750 O OH . TYR A 47 ? 0.1698 0.1679 0.1668 0.0011 0.0019 -0.0052 47 TYR A OH 760 N N . SER A 48 ? 0.1445 0.1462 0.1373 0.0015 0.0033 -0.0092 48 SER A N 761 C CA A SER A 48 ? 0.1360 0.1396 0.1287 0.0010 0.0032 -0.0087 48 SER A CA 762 C CA B SER A 48 ? 0.1445 0.1481 0.1372 0.0010 0.0032 -0.0087 48 SER A CA 763 C C . SER A 48 ? 0.1532 0.1582 0.1468 0.0009 0.0031 -0.0075 48 SER A C 764 O O . SER A 48 ? 0.1658 0.1711 0.1598 0.0014 0.0033 -0.0073 48 SER A O 765 C CB A SER A 48 ? 0.1621 0.1669 0.1540 0.0013 0.0035 -0.0095 48 SER A CB 766 C CB B SER A 48 ? 0.1552 0.1600 0.1470 0.0012 0.0035 -0.0095 48 SER A CB 767 O OG A SER A 48 ? 0.1473 0.1542 0.1391 0.0008 0.0034 -0.0090 48 SER A OG 768 O OG B SER A 48 ? 0.2119 0.2174 0.2038 0.0018 0.0039 -0.0095 48 SER A OG 779 N N . LEU A 49 ? 0.1381 0.1439 0.1321 0.0003 0.0028 -0.0067 49 LEU A N 780 C CA . LEU A 49 ? 0.1065 0.1137 0.1014 0.0002 0.0026 -0.0055 49 LEU A CA 781 C C . LEU A 49 ? 0.1093 0.1187 0.1039 0.0000 0.0027 -0.0052 49 LEU A C 782 O O . LEU A 49 ? 0.1379 0.1487 0.1331 0.0001 0.0028 -0.0045 49 LEU A O 783 C CB . LEU A 49 ? 0.1354 0.1418 0.1309 -0.0003 0.0022 -0.0048 49 LEU A CB 784 C CG . LEU A 49 ? 0.1430 0.1475 0.1390 -0.0001 0.0021 -0.0048 49 LEU A CG 785 C CD1 . LEU A 49 ? 0.2165 0.2200 0.2127 -0.0006 0.0017 -0.0044 49 LEU A CD1 786 C CD2 . LEU A 49 ? 0.1777 0.1825 0.1745 0.0002 0.0021 -0.0042 49 LEU A CD2 798 N N . PHE A 50 ? 0.1052 0.1153 0.0991 -0.0003 0.0027 -0.0056 50 PHE A N 799 C CA . PHE A 50 ? 0.1075 0.1199 0.1010 -0.0005 0.0028 -0.0052 50 PHE A CA 800 C C . PHE A 50 ? 0.1251 0.1377 0.1174 -0.0006 0.0029 -0.0063 50 PHE A C 801 O O . PHE A 50 ? 0.1173 0.1289 0.1094 -0.0009 0.0027 -0.0067 50 PHE A O 802 C CB . PHE A 50 ? 0.0937 0.1067 0.0878 -0.0011 0.0024 -0.0041 50 PHE A CB 803 C CG . PHE A 50 ? 0.1083 0.1239 0.1023 -0.0014 0.0024 -0.0034 50 PHE A CG 804 C CD1 . PHE A 50 ? 0.1164 0.1335 0.1111 -0.0014 0.0025 -0.0025 50 PHE A CD1 805 C CD2 . PHE A 50 ? 0.1239 0.1402 0.1171 -0.0018 0.0023 -0.0037 50 PHE A CD2 806 C CE1 . PHE A 50 ? 0.1127 0.1320 0.1072 -0.0017 0.0025 -0.0018 50 PHE A CE1 807 C CE2 . PHE A 50 ? 0.1377 0.1564 0.1308 -0.0021 0.0023 -0.0030 50 PHE A CE2 808 C CZ . PHE A 50 ? 0.1314 0.1515 0.1251 -0.0020 0.0024 -0.0020 50 PHE A CZ 818 N N . SER A 51 ? 0.1340 0.1479 0.1257 -0.0002 0.0033 -0.0069 51 SER A N 819 C CA . SER A 51 ? 0.1593 0.1732 0.1497 -0.0002 0.0035 -0.0081 51 SER A CA 820 C C . SER A 51 ? 0.1669 0.1834 0.1568 -0.0004 0.0035 -0.0078 51 SER A C 821 O O . SER A 51 ? 0.1774 0.1956 0.1674 -0.0001 0.0038 -0.0075 51 SER A O 822 C CB . SER A 51 ? 0.1943 0.2072 0.1844 0.0006 0.0039 -0.0091 51 SER A CB 823 O OG . SER A 51 ? 0.1874 0.2003 0.1763 0.0007 0.0041 -0.0104 51 SER A OG 829 N N . TYR A 52 ? 0.1678 0.1848 0.1571 -0.0010 0.0033 -0.0080 52 TYR A N 830 C CA . TYR A 52 ? 0.1663 0.1857 0.1550 -0.0012 0.0033 -0.0076 52 TYR A CA 831 C C . TYR A 52 ? 0.2210 0.2403 0.2084 -0.0013 0.0033 -0.0090 52 TYR A C 832 O O . TYR A 52 ? 0.2089 0.2271 0.1961 -0.0018 0.0030 -0.0094 52 TYR A O 833 C CB . TYR A 52 ? 0.1734 0.1936 0.1629 -0.0019 0.0028 -0.0063 52 TYR A CB 834 C CG . TYR A 52 ? 0.1345 0.1571 0.1236 -0.0024 0.0026 -0.0056 52 TYR A CG 835 C CD1 . TYR A 52 ? 0.1645 0.1887 0.1543 -0.0026 0.0025 -0.0041 52 TYR A CD1 836 C CD2 . TYR A 52 ? 0.2049 0.2281 0.1929 -0.0027 0.0025 -0.0065 52 TYR A CD2 837 C CE1 . TYR A 52 ? 0.1862 0.2125 0.1758 -0.0030 0.0023 -0.0034 52 TYR A CE1 838 C CE2 . TYR A 52 ? 0.1683 0.1936 0.1559 -0.0031 0.0023 -0.0058 52 TYR A CE2 839 C CZ . TYR A 52 ? 0.1800 0.2070 0.1684 -0.0033 0.0022 -0.0043 52 TYR A CZ 840 O OH . TYR A 52 ? 0.2316 0.2608 0.2196 -0.0037 0.0020 -0.0035 52 TYR A OH 850 N N . ASN A 53 ? 0.2270 0.2473 0.2136 -0.0009 0.0038 -0.0099 53 ASN A N 851 C CA . ASN A 53 ? 0.2879 0.3080 0.2732 -0.0009 0.0039 -0.0114 53 ASN A CA 852 C C . ASN A 53 ? 0.2732 0.2961 0.2576 -0.0011 0.0040 -0.0112 53 ASN A C 853 O O . ASN A 53 ? 0.2837 0.3085 0.2686 -0.0009 0.0042 -0.0102 53 ASN A O 854 C CB . ASN A 53 ? 0.2983 0.3169 0.2832 -0.0001 0.0044 -0.0127 53 ASN A CB 855 C CG . ASN A 53 ? 0.2986 0.3143 0.2837 -0.0001 0.0042 -0.0133 53 ASN A CG 856 O OD1 . ASN A 53 ? 0.2704 0.2851 0.2561 -0.0007 0.0037 -0.0127 53 ASN A OD1 857 N ND2 . ASN A 53 ? 0.2664 0.2807 0.2510 0.0004 0.0045 -0.0147 53 ASN A ND2 864 N N . THR A 54 ? 0.2787 0.3021 0.2621 -0.0014 0.0038 -0.0121 54 THR A N 865 C CA . THR A 54 ? 0.3131 0.3392 0.2955 -0.0016 0.0040 -0.0121 54 THR A CA 866 C C . THR A 54 ? 0.2924 0.3182 0.2735 -0.0013 0.0043 -0.0140 54 THR A C 867 O O . THR A 54 ? 0.3766 0.4000 0.3575 -0.0011 0.0043 -0.0151 54 THR A O 868 C CB . THR A 54 ? 0.3585 0.3859 0.3409 -0.0024 0.0034 -0.0113 54 THR A CB 869 O OG1 . THR A 54 ? 0.3082 0.3340 0.2902 -0.0028 0.0031 -0.0122 54 THR A OG1 870 C CG2 . THR A 54 ? 0.2938 0.3215 0.2776 -0.0027 0.0031 -0.0094 54 THR A CG2 878 N N . GLN A 55 ? 0.4440 0.4720 0.4240 -0.0012 0.0045 -0.0143 55 GLN A N 879 C CA . GLN A 55 ? 0.4351 0.4628 0.4137 -0.0008 0.0049 -0.0162 55 GLN A CA 880 C C . GLN A 55 ? 0.3126 0.3389 0.2906 -0.0014 0.0045 -0.0173 55 GLN A C 881 O O . GLN A 55 ? 0.3610 0.3884 0.3386 -0.0021 0.0040 -0.0169 55 GLN A O 882 C CB . GLN A 55 ? 0.5459 0.5767 0.5235 -0.0006 0.0053 -0.0163 55 GLN A CB 883 C CG . GLN A 55 ? 0.5922 0.6229 0.5682 -0.0003 0.0056 -0.0183 55 GLN A CG 884 C CD . GLN A 55 ? 0.5983 0.6267 0.5744 0.0006 0.0060 -0.0196 55 GLN A CD 885 O OE1 . GLN A 55 ? 0.6667 0.6929 0.6421 0.0005 0.0059 -0.0210 55 GLN A OE1 886 N NE2 . GLN A 55 ? 0.4222 0.4509 0.3991 0.0013 0.0065 -0.0191 55 GLN A NE2 895 N N . GLY A 56 ? 0.4081 0.4319 0.3859 -0.0010 0.0046 -0.0186 56 GLY A N 896 C CA . GLY A 56 ? 0.4460 0.4680 0.4231 -0.0015 0.0043 -0.0197 56 GLY A CA 897 C C . GLY A 56 ? 0.4715 0.4914 0.4497 -0.0020 0.0038 -0.0191 56 GLY A C 898 O O . GLY A 56 ? 0.3965 0.4145 0.3744 -0.0023 0.0036 -0.0200 56 GLY A O 902 N N . ARG A 57 ? 0.4342 0.4544 0.4138 -0.0019 0.0037 -0.0175 57 ARG A N 903 C CA A ARG A 57 ? 0.3242 0.3426 0.3047 -0.0024 0.0033 -0.0167 57 ARG A CA 904 C CA B ARG A 57 ? 0.3263 0.3448 0.3069 -0.0024 0.0033 -0.0167 57 ARG A CA 905 C C . ARG A 57 ? 0.3120 0.3288 0.2938 -0.0018 0.0035 -0.0161 57 ARG A C 906 O O . ARG A 57 ? 0.3384 0.3563 0.3208 -0.0015 0.0037 -0.0151 57 ARG A O 907 C CB A ARG A 57 ? 0.3191 0.3394 0.3001 -0.0031 0.0028 -0.0153 57 ARG A CB 908 C CB B ARG A 57 ? 0.3121 0.3325 0.2932 -0.0030 0.0028 -0.0151 57 ARG A CB 909 C CG A ARG A 57 ? 0.3515 0.3736 0.3313 -0.0037 0.0025 -0.0158 57 ARG A CG 910 C CG B ARG A 57 ? 0.3361 0.3582 0.3162 -0.0037 0.0025 -0.0155 57 ARG A CG 911 C CD A ARG A 57 ? 0.3339 0.3576 0.3142 -0.0044 0.0020 -0.0144 57 ARG A CD 912 C CD B ARG A 57 ? 0.2816 0.3019 0.2610 -0.0041 0.0023 -0.0170 57 ARG A CD 913 N NE A ARG A 57 ? 0.3631 0.3851 0.3443 -0.0049 0.0015 -0.0141 57 ARG A NE 914 N NE B ARG A 57 ? 0.4270 0.4488 0.4056 -0.0049 0.0019 -0.0172 57 ARG A NE 915 C CZ A ARG A 57 ? 0.3974 0.4188 0.3782 -0.0055 0.0012 -0.0148 57 ARG A CZ 916 C CZ B ARG A 57 ? 0.4609 0.4822 0.4399 -0.0056 0.0013 -0.0169 57 ARG A CZ 917 N NH1 A ARG A 57 ? 0.4695 0.4917 0.4489 -0.0058 0.0011 -0.0160 57 ARG A NH1 918 N NH1 B ARG A 57 ? 0.4360 0.4554 0.4162 -0.0057 0.0012 -0.0163 57 ARG A NH1 919 N NH2 A ARG A 57 ? 0.3425 0.3625 0.3242 -0.0059 0.0008 -0.0143 57 ARG A NH2 920 N NH2 B ARG A 57 ? 0.4312 0.4541 0.4094 -0.0063 0.0009 -0.0171 57 ARG A NH2 947 N N . ASP A 58 ? 0.2871 0.3012 0.2690 -0.0018 0.0034 -0.0167 58 ASP A N 948 C CA . ASP A 58 ? 0.2730 0.2853 0.2561 -0.0014 0.0035 -0.0161 58 ASP A CA 949 C C . ASP A 58 ? 0.2647 0.2768 0.2489 -0.0020 0.0030 -0.0149 58 ASP A C 950 O O . ASP A 58 ? 0.3012 0.3134 0.2851 -0.0027 0.0026 -0.0149 58 ASP A O 951 C CB . ASP A 58 ? 0.3359 0.3455 0.3187 -0.0011 0.0037 -0.0174 58 ASP A CB 952 C CG . ASP A 58 ? 0.3372 0.3451 0.3210 -0.0005 0.0039 -0.0169 58 ASP A CG 953 O OD1 . ASP A 58 ? 0.3101 0.3192 0.2945 0.0000 0.0041 -0.0161 58 ASP A OD1 954 O OD2 . ASP A 58 ? 0.3044 0.3100 0.2884 -0.0004 0.0038 -0.0174 58 ASP A OD2 959 N N . ASN A 59 ? 0.2377 0.2492 0.2229 -0.0016 0.0031 -0.0139 59 ASN A N 960 C CA . ASN A 59 ? 0.2565 0.2674 0.2428 -0.0021 0.0027 -0.0127 59 ASN A CA 961 C C . ASN A 59 ? 0.1982 0.2110 0.1845 -0.0027 0.0023 -0.0119 59 ASN A C 962 O O . ASN A 59 ? 0.2375 0.2498 0.2241 -0.0033 0.0019 -0.0116 59 ASN A O 963 C CB . ASN A 59 ? 0.2261 0.2344 0.2124 -0.0023 0.0025 -0.0134 59 ASN A CB 964 C CG . ASN A 59 ? 0.2226 0.2290 0.2090 -0.0016 0.0029 -0.0141 59 ASN A CG 965 O OD1 . ASN A 59 ? 0.2336 0.2404 0.2201 -0.0009 0.0032 -0.0140 59 ASN A OD1 966 N ND2 . ASN A 59 ? 0.2347 0.2389 0.2211 -0.0017 0.0028 -0.0147 59 ASN A ND2 973 N N . GLU A 60 ? 0.2145 0.2296 0.2005 -0.0027 0.0024 -0.0114 60 GLU A N 974 C CA . GLU A 60 ? 0.1587 0.1759 0.1447 -0.0033 0.0021 -0.0106 60 GLU A CA 975 C C . GLU A 60 ? 0.1428 0.1598 0.1301 -0.0035 0.0018 -0.0091 60 GLU A C 976 O O . GLU A 60 ? 0.1575 0.1747 0.1451 -0.0040 0.0013 -0.0086 60 GLU A O 977 C CB . GLU A 60 ? 0.1733 0.1931 0.1586 -0.0032 0.0023 -0.0104 60 GLU A CB 978 C CG . GLU A 60 ? 0.1911 0.2130 0.1764 -0.0038 0.0019 -0.0095 60 GLU A CG 979 C CD . GLU A 60 ? 0.2125 0.2345 0.1969 -0.0044 0.0015 -0.0103 60 GLU A CD 980 O OE1 . GLU A 60 ? 0.2452 0.2655 0.2290 -0.0044 0.0016 -0.0117 60 GLU A OE1 981 O OE2 . GLU A 60 ? 0.2516 0.2754 0.2360 -0.0049 0.0012 -0.0095 60 GLU A OE2 988 N N . LEU A 61 ? 0.1346 0.1513 0.1227 -0.0030 0.0020 -0.0084 61 LEU A N 989 C CA . LEU A 61 ? 0.1181 0.1340 0.1075 -0.0032 0.0017 -0.0072 61 LEU A CA 990 C C . LEU A 61 ? 0.1561 0.1703 0.1459 -0.0026 0.0020 -0.0076 61 LEU A C 991 O O . LEU A 61 ? 0.1769 0.1917 0.1666 -0.0021 0.0024 -0.0077 61 LEU A O 992 C CB . LEU A 61 ? 0.1537 0.1717 0.1437 -0.0033 0.0016 -0.0058 61 LEU A CB 993 C CG . LEU A 61 ? 0.2349 0.2527 0.2261 -0.0035 0.0013 -0.0044 61 LEU A CG 994 C CD1 . LEU A 61 ? 0.1713 0.1916 0.1627 -0.0037 0.0012 -0.0032 61 LEU A CD1 995 C CD2 . LEU A 61 ? 0.2830 0.2993 0.2751 -0.0031 0.0014 -0.0042 61 LEU A CD2 1007 N N . LEU A 62 ? 0.1022 0.1143 0.0925 -0.0026 0.0019 -0.0077 62 LEU A N 1008 C CA . LEU A 62 ? 0.1089 0.1193 0.0996 -0.0020 0.0021 -0.0079 62 LEU A CA 1009 C C . LEU A 62 ? 0.0970 0.1061 0.0887 -0.0022 0.0018 -0.0072 62 LEU A C 1010 O O . LEU A 62 ? 0.1090 0.1172 0.1008 -0.0026 0.0015 -0.0072 62 LEU A O 1011 C CB . LEU A 62 ? 0.1408 0.1497 0.1307 -0.0018 0.0023 -0.0094 62 LEU A CB 1012 C CG . LEU A 62 ? 0.1355 0.1423 0.1257 -0.0012 0.0025 -0.0097 62 LEU A CG 1013 C CD1 . LEU A 62 ? 0.1970 0.2045 0.1875 -0.0006 0.0029 -0.0095 62 LEU A CD1 1014 C CD2 . LEU A 62 ? 0.1586 0.1637 0.1479 -0.0011 0.0027 -0.0111 62 LEU A CD2 1026 N N . VAL A 63 ? 0.0909 0.0997 0.0834 -0.0018 0.0019 -0.0065 63 VAL A N 1027 C CA . VAL A 63 ? 0.0995 0.1069 0.0929 -0.0018 0.0017 -0.0060 63 VAL A CA 1028 C C . VAL A 63 ? 0.0968 0.1024 0.0901 -0.0013 0.0020 -0.0066 63 VAL A C 1029 O O . VAL A 63 ? 0.1131 0.1191 0.1064 -0.0008 0.0023 -0.0068 63 VAL A O 1030 C CB . VAL A 63 ? 0.0886 0.0969 0.0829 -0.0019 0.0016 -0.0047 63 VAL A CB 1031 C CG1 . VAL A 63 ? 0.1089 0.1157 0.1041 -0.0019 0.0013 -0.0042 63 VAL A CG1 1032 C CG2 . VAL A 63 ? 0.1336 0.1437 0.1280 -0.0024 0.0013 -0.0039 63 VAL A CG2 1042 N N . TYR A 64 ? 0.1036 0.1074 0.0969 -0.0014 0.0018 -0.0070 64 TYR A N 1043 C CA . TYR A 64 ? 0.1067 0.1087 0.0998 -0.0010 0.0021 -0.0078 64 TYR A CA 1044 C C . TYR A 64 ? 0.1118 0.1121 0.1055 -0.0010 0.0019 -0.0075 64 TYR A C 1045 O O . TYR A 64 ? 0.1313 0.1314 0.1253 -0.0014 0.0016 -0.0071 64 TYR A O 1046 C CB . TYR A 64 ? 0.1336 0.1349 0.1258 -0.0011 0.0022 -0.0090 64 TYR A CB 1047 C CG . TYR A 64 ? 0.1407 0.1404 0.1324 -0.0005 0.0025 -0.0099 64 TYR A CG 1048 C CD1 . TYR A 64 ? 0.1710 0.1713 0.1624 0.0000 0.0028 -0.0104 64 TYR A CD1 1049 C CD2 . TYR A 64 ? 0.2202 0.2179 0.2119 -0.0006 0.0024 -0.0103 64 TYR A CD2 1050 C CE1 . TYR A 64 ? 0.2195 0.2184 0.2105 0.0006 0.0031 -0.0112 64 TYR A CE1 1051 C CE2 . TYR A 64 ? 0.2231 0.2193 0.2144 -0.0001 0.0027 -0.0111 64 TYR A CE2 1052 C CZ . TYR A 64 ? 0.2317 0.2285 0.2227 0.0005 0.0030 -0.0115 64 TYR A CZ 1053 O OH . TYR A 64 ? 0.3003 0.2956 0.2909 0.0011 0.0033 -0.0123 64 TYR A OH 1063 N N . LYS A 65 ? 0.1122 0.1115 0.1062 -0.0005 0.0021 -0.0075 65 LYS A N 1064 C CA . LYS A 65 ? 0.1107 0.1085 0.1053 -0.0004 0.0019 -0.0072 65 LYS A CA 1065 C C . LYS A 65 ? 0.1274 0.1234 0.1214 -0.0002 0.0021 -0.0081 65 LYS A C 1066 O O . LYS A 65 ? 0.1495 0.1450 0.1433 0.0003 0.0023 -0.0086 65 LYS A O 1067 C CB . LYS A 65 ? 0.1390 0.1370 0.1342 -0.0001 0.0019 -0.0066 65 LYS A CB 1068 C CG . LYS A 65 ? 0.2094 0.2060 0.2051 -0.0001 0.0017 -0.0062 65 LYS A CG 1069 C CD . LYS A 65 ? 0.3991 0.3960 0.3957 0.0000 0.0016 -0.0054 65 LYS A CD 1070 C CE . LYS A 65 ? 0.2375 0.2331 0.2345 -0.0002 0.0013 -0.0051 65 LYS A CE 1071 N NZ . LYS A 65 ? 0.3632 0.3584 0.3607 0.0001 0.0013 -0.0048 65 LYS A NZ 1085 N N . GLU A 66 ? 0.1985 0.1936 0.1924 -0.0007 0.0019 -0.0083 66 GLU A N 1086 C CA . GLU A 66 ? 0.2851 0.2784 0.2785 -0.0006 0.0020 -0.0091 66 GLU A CA 1087 C C . GLU A 66 ? 0.1968 0.1886 0.1905 -0.0002 0.0021 -0.0089 66 GLU A C 1088 O O . GLU A 66 ? 0.2347 0.2253 0.2281 0.0002 0.0023 -0.0095 66 GLU A O 1089 C CB . GLU A 66 ? 0.2959 0.2889 0.2893 -0.0013 0.0018 -0.0090 66 GLU A CB 1090 C CG . GLU A 66 ? 0.3258 0.3203 0.3190 -0.0018 0.0016 -0.0090 66 GLU A CG 1091 C CD . GLU A 66 ? 0.3627 0.3574 0.3549 -0.0018 0.0018 -0.0100 66 GLU A CD 1092 O OE1 . GLU A 66 ? 0.3692 0.3626 0.3611 -0.0014 0.0020 -0.0107 66 GLU A OE1 1093 O OE2 . GLU A 66 ? 0.3051 0.3012 0.2971 -0.0022 0.0017 -0.0101 66 GLU A OE2 1100 N N . ARG A 67 ? 0.1646 0.1565 0.1590 -0.0002 0.0019 -0.0081 67 ARG A N 1101 C CA . ARG A 67 ? 0.1575 0.1481 0.1522 0.0001 0.0019 -0.0079 67 ARG A CA 1102 C C . ARG A 67 ? 0.1837 0.1749 0.1792 -0.0001 0.0017 -0.0070 67 ARG A C 1103 O O . ARG A 67 ? 0.1572 0.1496 0.1529 -0.0005 0.0015 -0.0066 67 ARG A O 1104 C CB . ARG A 67 ? 0.1738 0.1626 0.1682 -0.0001 0.0019 -0.0083 67 ARG A CB 1105 C CG . ARG A 67 ? 0.1866 0.1757 0.1811 -0.0008 0.0017 -0.0081 67 ARG A CG 1106 C CD . ARG A 67 ? 0.2367 0.2241 0.2310 -0.0010 0.0017 -0.0085 67 ARG A CD 1107 N NE . ARG A 67 ? 0.2799 0.2665 0.2735 -0.0009 0.0020 -0.0093 67 ARG A NE 1108 C CZ . ARG A 67 ? 0.3094 0.2964 0.3025 -0.0012 0.0020 -0.0099 67 ARG A CZ 1109 N NH1 . ARG A 67 ? 0.3855 0.3738 0.3788 -0.0018 0.0018 -0.0097 67 ARG A NH1 1110 N NH2 . ARG A 67 ? 0.4477 0.4338 0.4403 -0.0011 0.0022 -0.0107 67 ARG A NH2 1124 N N . VAL A 68 ? 0.1675 0.1579 0.1634 0.0002 0.0016 -0.0067 68 VAL A N 1125 C CA . VAL A 68 ? 0.1432 0.1340 0.1397 0.0000 0.0014 -0.0059 68 VAL A CA 1126 C C . VAL A 68 ? 0.1531 0.1441 0.1498 -0.0005 0.0012 -0.0057 68 VAL A C 1127 O O . VAL A 68 ? 0.1795 0.1696 0.1759 -0.0007 0.0012 -0.0061 68 VAL A O 1128 C CB A VAL A 68 ? 0.1756 0.1654 0.1724 0.0003 0.0013 -0.0058 68 VAL A CB 1129 C CB B VAL A 68 ? 0.1725 0.1622 0.1693 0.0004 0.0013 -0.0058 68 VAL A CB 1130 C CG1 A VAL A 68 ? 0.2085 0.1984 0.2060 0.0001 0.0011 -0.0051 68 VAL A CG1 1131 C CG1 B VAL A 68 ? 0.1763 0.1646 0.1727 0.0003 0.0014 -0.0061 68 VAL A CG1 1132 C CG2 A VAL A 68 ? 0.2196 0.2097 0.2165 0.0009 0.0014 -0.0057 68 VAL A CG2 1133 C CG2 B VAL A 68 ? 0.1878 0.1780 0.1853 0.0002 0.0011 -0.0051 68 VAL A CG2 1150 N N . GLY A 69 ? 0.1467 0.1388 0.1440 -0.0008 0.0010 -0.0051 69 GLY A N 1151 C CA . GLY A 69 ? 0.1458 0.1382 0.1434 -0.0012 0.0008 -0.0048 69 GLY A CA 1152 C C . GLY A 69 ? 0.1465 0.1397 0.1437 -0.0016 0.0008 -0.0050 69 GLY A C 1153 O O . GLY A 69 ? 0.1653 0.1585 0.1627 -0.0020 0.0006 -0.0048 69 GLY A O 1157 N N . GLU A 70 ? 0.1219 0.1156 0.1185 -0.0015 0.0009 -0.0055 70 GLU A N 1158 C CA . GLU A 70 ? 0.1191 0.1134 0.1152 -0.0019 0.0009 -0.0058 70 GLU A CA 1159 C C . GLU A 70 ? 0.1090 0.1049 0.1049 -0.0019 0.0010 -0.0059 70 GLU A C 1160 O O . GLU A 70 ? 0.1345 0.1303 0.1300 -0.0015 0.0012 -0.0063 70 GLU A O 1161 C CB . GLU A 70 ? 0.1480 0.1411 0.1434 -0.0020 0.0011 -0.0067 70 GLU A CB 1162 C CG . GLU A 70 ? 0.2108 0.2025 0.2064 -0.0021 0.0010 -0.0067 70 GLU A CG 1163 C CD . GLU A 70 ? 0.2717 0.2623 0.2667 -0.0023 0.0012 -0.0075 70 GLU A CD 1164 O OE1 . GLU A 70 ? 0.2726 0.2634 0.2671 -0.0023 0.0013 -0.0081 70 GLU A OE1 1165 O OE2 . GLU A 70 ? 0.3740 0.3635 0.3692 -0.0024 0.0012 -0.0074 70 GLU A OE2 1172 N N . TYR A 71 ? 0.0858 0.0830 0.0818 -0.0022 0.0008 -0.0054 71 TYR A N 1173 C CA . TYR A 71 ? 0.0984 0.0973 0.0942 -0.0023 0.0008 -0.0053 71 TYR A CA 1174 C C . TYR A 71 ? 0.0983 0.0980 0.0935 -0.0027 0.0008 -0.0057 71 TYR A C 1175 O O . TYR A 71 ? 0.1032 0.1029 0.0986 -0.0031 0.0006 -0.0055 71 TYR A O 1176 C CB . TYR A 71 ? 0.1206 0.1207 0.1173 -0.0023 0.0006 -0.0042 71 TYR A CB 1177 C CG . TYR A 71 ? 0.1340 0.1335 0.1312 -0.0020 0.0007 -0.0039 71 TYR A CG 1178 C CD1 . TYR A 71 ? 0.1168 0.1151 0.1146 -0.0019 0.0006 -0.0036 71 TYR A CD1 1179 C CD2 . TYR A 71 ? 0.1439 0.1443 0.1411 -0.0017 0.0008 -0.0038 71 TYR A CD2 1180 C CE1 . TYR A 71 ? 0.1237 0.1214 0.1218 -0.0016 0.0006 -0.0033 71 TYR A CE1 1181 C CE2 . TYR A 71 ? 0.1498 0.1496 0.1475 -0.0014 0.0009 -0.0034 71 TYR A CE2 1182 C CZ . TYR A 71 ? 0.1394 0.1380 0.1376 -0.0014 0.0007 -0.0032 71 TYR A CZ 1183 O OH . TYR A 71 ? 0.1520 0.1501 0.1507 -0.0011 0.0007 -0.0030 71 TYR A OH 1193 N N . SER A 72 ? 0.0923 0.0928 0.0868 -0.0025 0.0010 -0.0063 72 SER A N 1194 C CA . SER A 72 ? 0.1051 0.1064 0.0989 -0.0029 0.0009 -0.0068 72 SER A CA 1195 C C . SER A 72 ? 0.0876 0.0910 0.0812 -0.0030 0.0009 -0.0065 72 SER A C 1196 O O . SER A 72 ? 0.1043 0.1083 0.0979 -0.0026 0.0011 -0.0063 72 SER A O 1197 C CB . SER A 72 ? 0.1391 0.1393 0.1320 -0.0028 0.0012 -0.0080 72 SER A CB 1198 O OG . SER A 72 ? 0.1516 0.1499 0.1447 -0.0028 0.0011 -0.0083 72 SER A OG 1204 N N . LEU A 73 ? 0.0855 0.0901 0.0789 -0.0035 0.0007 -0.0064 73 LEU A N 1205 C CA . LEU A 73 ? 0.0847 0.0913 0.0776 -0.0036 0.0007 -0.0062 73 LEU A CA 1206 C C . LEU A 73 ? 0.0887 0.0956 0.0807 -0.0039 0.0007 -0.0073 73 LEU A C 1207 O O . LEU A 73 ? 0.0964 0.1028 0.0883 -0.0043 0.0005 -0.0075 73 LEU A O 1208 C CB . LEU A 73 ? 0.0952 0.1032 0.0888 -0.0039 0.0004 -0.0051 73 LEU A CB 1209 C CG . LEU A 73 ? 0.0932 0.1036 0.0864 -0.0042 0.0003 -0.0048 73 LEU A CG 1210 C CD1 . LEU A 73 ? 0.1227 0.1339 0.1158 -0.0038 0.0006 -0.0045 73 LEU A CD1 1211 C CD2 . LEU A 73 ? 0.1016 0.1131 0.0954 -0.0046 -0.0001 -0.0036 73 LEU A CD2 1223 N N . TYR A 74 ? 0.0879 0.0956 0.0790 -0.0036 0.0010 -0.0079 74 TYR A N 1224 C CA . TYR A 74 ? 0.0891 0.0975 0.0792 -0.0039 0.0010 -0.0088 74 TYR A CA 1225 C C . TYR A 74 ? 0.1157 0.1266 0.1056 -0.0042 0.0009 -0.0083 74 TYR A C 1226 O O . TYR A 74 ? 0.1192 0.1312 0.1093 -0.0039 0.0010 -0.0076 74 TYR A O 1227 C CB . TYR A 74 ? 0.1233 0.1309 0.1125 -0.0034 0.0014 -0.0100 74 TYR A CB 1228 C CG . TYR A 74 ? 0.1350 0.1402 0.1244 -0.0032 0.0015 -0.0107 74 TYR A CG 1229 C CD1 . TYR A 74 ? 0.1295 0.1335 0.1196 -0.0028 0.0016 -0.0102 74 TYR A CD1 1230 C CD2 . TYR A 74 ? 0.1829 0.1869 0.1714 -0.0034 0.0016 -0.0119 74 TYR A CD2 1231 C CE1 . TYR A 74 ? 0.1665 0.1682 0.1566 -0.0025 0.0018 -0.0108 74 TYR A CE1 1232 C CE2 . TYR A 74 ? 0.2136 0.2153 0.2022 -0.0032 0.0017 -0.0125 74 TYR A CE2 1233 C CZ . TYR A 74 ? 0.2227 0.2234 0.2121 -0.0027 0.0018 -0.0119 74 TYR A CZ 1234 O OH . TYR A 74 ? 0.2862 0.2846 0.2756 -0.0025 0.0020 -0.0125 74 TYR A OH 1244 N N . ILE A 75 ? 0.1163 0.1280 0.1056 -0.0047 0.0006 -0.0085 75 ILE A N 1245 C CA . ILE A 75 ? 0.1250 0.1392 0.1139 -0.0050 0.0005 -0.0082 75 ILE A CA 1246 C C . ILE A 75 ? 0.1307 0.1450 0.1183 -0.0053 0.0005 -0.0095 75 ILE A C 1247 O O . ILE A 75 ? 0.1455 0.1590 0.1330 -0.0057 0.0002 -0.0101 75 ILE A O 1248 C CB . ILE A 75 ? 0.1250 0.1403 0.1146 -0.0055 0.0000 -0.0070 75 ILE A CB 1249 C CG1 . ILE A 75 ? 0.1545 0.1695 0.1453 -0.0052 0.0000 -0.0056 75 ILE A CG1 1250 C CG2 . ILE A 75 ? 0.1631 0.1810 0.1521 -0.0058 -0.0001 -0.0067 75 ILE A CG2 1251 C CD1 . ILE A 75 ? 0.2032 0.2194 0.1942 -0.0049 0.0002 -0.0049 75 ILE A CD1 1263 N N . GLY A 76 ? 0.1645 0.1799 0.1513 -0.0050 0.0008 -0.0102 76 GLY A N 1264 C CA . GLY A 76 ? 0.1695 0.1850 0.1550 -0.0052 0.0008 -0.0115 76 GLY A CA 1265 C C . GLY A 76 ? 0.1517 0.1648 0.1370 -0.0053 0.0008 -0.0127 76 GLY A C 1266 O O . GLY A 76 ? 0.1637 0.1767 0.1485 -0.0058 0.0006 -0.0134 76 GLY A O 1270 N N . ARG A 77 ? 0.1632 0.1744 0.1490 -0.0047 0.0011 -0.0128 77 ARG A N 1271 C CA . ARG A 77 ? 0.1830 0.1917 0.1686 -0.0047 0.0012 -0.0139 77 ARG A CA 1272 C C . ARG A 77 ? 0.1826 0.1900 0.1690 -0.0052 0.0009 -0.0135 77 ARG A C 1273 O O . ARG A 77 ? 0.3129 0.3182 0.2993 -0.0051 0.0010 -0.0141 77 ARG A O 1274 C CB . ARG A 77 ? 0.3336 0.3423 0.3179 -0.0049 0.0013 -0.0154 77 ARG A CB 1275 C CG . ARG A 77 ? 0.5171 0.5264 0.5007 -0.0042 0.0018 -0.0161 77 ARG A CG 1276 C CD . ARG A 77 ? 0.6555 0.6625 0.6392 -0.0036 0.0021 -0.0167 77 ARG A CD 1277 N NE . ARG A 77 ? 0.7506 0.7557 0.7338 -0.0038 0.0021 -0.0179 77 ARG A NE 1278 C CZ . ARG A 77 ? 0.6282 0.6326 0.6104 -0.0035 0.0024 -0.0193 77 ARG A CZ 1279 N NH1 . ARG A 77 ? 0.4146 0.4203 0.3962 -0.0030 0.0027 -0.0196 77 ARG A NH1 1280 N NH2 . ARG A 77 ? 0.6983 0.7008 0.6801 -0.0039 0.0023 -0.0204 77 ARG A NH2 1294 N N . HIS A 78 ? 0.1431 0.1517 0.1301 -0.0056 0.0005 -0.0124 78 HIS A N 1295 C CA . HIS A 78 ? 0.1469 0.1544 0.1346 -0.0060 0.0002 -0.0119 78 HIS A CA 1296 C C . HIS A 78 ? 0.1350 0.1418 0.1238 -0.0055 0.0003 -0.0109 78 HIS A C 1297 O O . HIS A 78 ? 0.1428 0.1506 0.1318 -0.0051 0.0005 -0.0102 78 HIS A O 1298 C CB . HIS A 78 ? 0.1605 0.1698 0.1485 -0.0066 -0.0003 -0.0112 78 HIS A CB 1299 C CG . HIS A 78 ? 0.1493 0.1596 0.1363 -0.0072 -0.0005 -0.0121 78 HIS A CG 1300 N ND1 . HIS A 78 ? 0.2099 0.2217 0.1971 -0.0079 -0.0010 -0.0116 78 HIS A ND1 1301 C CD2 . HIS A 78 ? 0.2098 0.2200 0.1956 -0.0072 -0.0003 -0.0134 78 HIS A CD2 1302 C CE1 . HIS A 78 ? 0.2051 0.2175 0.1912 -0.0083 -0.0011 -0.0127 78 HIS A CE1 1303 N NE2 . HIS A 78 ? 0.1892 0.2007 0.1744 -0.0079 -0.0007 -0.0138 78 HIS A NE2 1311 N N . LYS A 79 ? 0.1517 0.1568 0.1412 -0.0056 0.0002 -0.0107 79 LYS A N 1312 C CA . LYS A 79 ? 0.1398 0.1442 0.1302 -0.0051 0.0004 -0.0098 79 LYS A CA 1313 C C . LYS A 79 ? 0.1444 0.1483 0.1358 -0.0054 0.0001 -0.0090 79 LYS A C 1314 O O . LYS A 79 ? 0.1555 0.1590 0.1468 -0.0059 -0.0002 -0.0093 79 LYS A O 1315 C CB . LYS A 79 ? 0.2638 0.2663 0.2542 -0.0046 0.0007 -0.0104 79 LYS A CB 1316 C CG . LYS A 79 ? 0.3041 0.3046 0.2942 -0.0048 0.0007 -0.0111 79 LYS A CG 1317 C CD . LYS A 79 ? 0.3215 0.3202 0.3115 -0.0042 0.0011 -0.0117 79 LYS A CD 1318 C CE . LYS A 79 ? 0.3289 0.3270 0.3198 -0.0037 0.0012 -0.0109 79 LYS A CE 1319 N NZ . LYS A 79 ? 0.4887 0.4847 0.4795 -0.0033 0.0014 -0.0114 79 LYS A NZ 1333 N N . VAL A 80 ? 0.1191 0.1231 0.1113 -0.0051 0.0001 -0.0080 80 VAL A N 1334 C CA . VAL A 80 ? 0.0964 0.0996 0.0896 -0.0052 -0.0001 -0.0073 80 VAL A CA 1335 C C . VAL A 80 ? 0.0907 0.0926 0.0843 -0.0046 0.0001 -0.0070 80 VAL A C 1336 O O . VAL A 80 ? 0.1194 0.1217 0.1129 -0.0042 0.0004 -0.0070 80 VAL A O 1337 C CB . VAL A 80 ? 0.1137 0.1185 0.1076 -0.0054 -0.0004 -0.0062 80 VAL A CB 1338 C CG1 . VAL A 80 ? 0.1684 0.1744 0.1618 -0.0060 -0.0007 -0.0064 80 VAL A CG1 1339 C CG2 . VAL A 80 ? 0.1323 0.1384 0.1263 -0.0051 -0.0004 -0.0054 80 VAL A CG2 1349 N N . THR A 81 ? 0.1075 0.1081 0.1017 -0.0046 0.0001 -0.0068 81 THR A N 1350 C CA . THR A 81 ? 0.1052 0.1045 0.0998 -0.0041 0.0003 -0.0066 81 THR A CA 1351 C C . THR A 81 ? 0.1087 0.1077 0.1042 -0.0042 0.0001 -0.0057 81 THR A C 1352 O O . THR A 81 ? 0.1178 0.1168 0.1136 -0.0046 -0.0001 -0.0057 81 THR A O 1353 C CB . THR A 81 ? 0.1251 0.1225 0.1193 -0.0040 0.0005 -0.0075 81 THR A CB 1354 O OG1 . THR A 81 ? 0.1606 0.1582 0.1540 -0.0039 0.0007 -0.0083 81 THR A OG1 1355 C CG2 . THR A 81 ? 0.1284 0.1246 0.1230 -0.0034 0.0007 -0.0072 81 THR A CG2 1363 N N . SER A 82 ? 0.0886 0.0876 0.0847 -0.0038 0.0001 -0.0051 82 SER A N 1364 C CA . SER A 82 ? 0.0887 0.0872 0.0857 -0.0038 -0.0001 -0.0044 82 SER A CA 1365 C C . SER A 82 ? 0.0951 0.0923 0.0923 -0.0033 0.0001 -0.0044 82 SER A C 1366 O O . SER A 82 ? 0.1033 0.1004 0.1003 -0.0030 0.0003 -0.0046 82 SER A O 1367 C CB . SER A 82 ? 0.1842 0.1841 0.1819 -0.0039 -0.0003 -0.0034 82 SER A CB 1368 O OG . SER A 82 ? 0.1848 0.1857 0.1824 -0.0044 -0.0005 -0.0034 82 SER A OG 1374 N N . LYS A 83 ? 0.0937 0.0899 0.0914 -0.0033 0.0000 -0.0041 83 LYS A N 1375 C CA . LYS A 83 ? 0.0945 0.0894 0.0924 -0.0029 0.0002 -0.0041 83 LYS A CA 1376 C C . LYS A 83 ? 0.0946 0.0896 0.0933 -0.0027 0.0000 -0.0034 83 LYS A C 1377 O O . LYS A 83 ? 0.0988 0.0946 0.0981 -0.0029 -0.0002 -0.0028 83 LYS A O 1378 C CB . LYS A 83 ? 0.1018 0.0954 0.0996 -0.0030 0.0003 -0.0045 83 LYS A CB 1379 C CG . LYS A 83 ? 0.1501 0.1432 0.1471 -0.0032 0.0004 -0.0053 83 LYS A CG 1380 C CD . LYS A 83 ? 0.2621 0.2539 0.2590 -0.0033 0.0005 -0.0057 83 LYS A CD 1381 C CE . LYS A 83 ? 0.3454 0.3367 0.3416 -0.0035 0.0006 -0.0065 83 LYS A CE 1382 N NZ . LYS A 83 ? 0.3535 0.3432 0.3495 -0.0035 0.0008 -0.0069 83 LYS A NZ 1396 N N . VAL A 84 ? 0.0967 0.0909 0.0955 -0.0024 0.0001 -0.0034 84 VAL A N 1397 C CA . VAL A 84 ? 0.0981 0.0922 0.0976 -0.0022 0.0000 -0.0028 84 VAL A CA 1398 C C . VAL A 84 ? 0.1022 0.0949 0.1016 -0.0019 0.0001 -0.0030 84 VAL A C 1399 O O . VAL A 84 ? 0.1256 0.1178 0.1246 -0.0017 0.0003 -0.0035 84 VAL A O 1400 C CB . VAL A 84 ? 0.1075 0.1028 0.1073 -0.0022 -0.0001 -0.0023 84 VAL A CB 1401 C CG1 . VAL A 84 ? 0.1173 0.1126 0.1167 -0.0019 0.0001 -0.0026 84 VAL A CG1 1402 C CG2 . VAL A 84 ? 0.1615 0.1569 0.1622 -0.0021 -0.0003 -0.0015 84 VAL A CG2 1412 N N . ILE A 85 ? 0.1125 0.1049 0.1126 -0.0018 0.0000 -0.0026 85 ILE A N 1413 C CA . ILE A 85 ? 0.1058 0.0971 0.1059 -0.0015 0.0000 -0.0027 85 ILE A CA 1414 C C . ILE A 85 ? 0.1112 0.1030 0.1115 -0.0013 -0.0001 -0.0025 85 ILE A C 1415 O O . ILE A 85 ? 0.1415 0.1341 0.1423 -0.0014 -0.0002 -0.0019 85 ILE A O 1416 C CB . ILE A 85 ? 0.1309 0.1215 0.1315 -0.0014 -0.0001 -0.0024 85 ILE A CB 1417 C CG1 . ILE A 85 ? 0.2071 0.1974 0.2076 -0.0016 -0.0001 -0.0026 85 ILE A CG1 1418 C CG2 . ILE A 85 ? 0.1861 0.1758 0.1867 -0.0011 -0.0001 -0.0025 85 ILE A CG2 1419 C CD1 . ILE A 85 ? 0.1904 0.1804 0.1915 -0.0016 -0.0002 -0.0023 85 ILE A CD1 1431 N N . GLU A 86 ? 0.1442 0.1356 0.1441 -0.0010 0.0001 -0.0029 86 GLU A N 1432 C CA . GLU A 86 ? 0.1527 0.1447 0.1528 -0.0008 0.0001 -0.0026 86 GLU A CA 1433 C C . GLU A 86 ? 0.1590 0.1500 0.1589 -0.0004 0.0002 -0.0030 86 GLU A C 1434 O O . GLU A 86 ? 0.2005 0.1906 0.1998 -0.0003 0.0003 -0.0035 86 GLU A O 1435 C CB . GLU A 86 ? 0.2251 0.2184 0.2251 -0.0009 0.0002 -0.0026 86 GLU A CB 1436 C CG . GLU A 86 ? 0.2661 0.2590 0.2652 -0.0007 0.0004 -0.0033 86 GLU A CG 1437 C CD . GLU A 86 ? 0.2659 0.2602 0.2647 -0.0007 0.0006 -0.0034 86 GLU A CD 1438 O OE1 . GLU A 86 ? 0.1742 0.1698 0.1735 -0.0010 0.0004 -0.0029 86 GLU A OE1 1439 O OE2 . GLU A 86 ? 0.2085 0.2025 0.2067 -0.0005 0.0008 -0.0041 86 GLU A OE2 1446 N N . LYS A 87 ? 0.1658 0.1571 0.1660 -0.0003 0.0000 -0.0027 87 LYS A N 1447 C CA . LYS A 87 ? 0.1931 0.1838 0.1932 0.0001 0.0001 -0.0029 87 LYS A CA 1448 C C . LYS A 87 ? 0.1630 0.1543 0.1627 0.0004 0.0003 -0.0032 87 LYS A C 1449 O O . LYS A 87 ? 0.1818 0.1742 0.1816 0.0002 0.0004 -0.0031 87 LYS A O 1450 C CB . LYS A 87 ? 0.2160 0.2070 0.2167 0.0001 -0.0002 -0.0025 87 LYS A CB 1451 C CG . LYS A 87 ? 0.2784 0.2687 0.2796 -0.0001 -0.0004 -0.0022 87 LYS A CG 1452 C CD . LYS A 87 ? 0.3825 0.3728 0.3842 -0.0001 -0.0007 -0.0019 87 LYS A CD 1453 C CE . LYS A 87 ? 0.6463 0.6359 0.6483 -0.0003 -0.0009 -0.0018 87 LYS A CE 1454 N NZ . LYS A 87 ? 0.7863 0.7765 0.7889 -0.0006 -0.0010 -0.0014 87 LYS A NZ 1468 N N . PHE A 88 ? 0.1690 0.1596 0.1684 0.0008 0.0004 -0.0035 88 PHE A N 1469 C CA . PHE A 88 ? 0.1441 0.1352 0.1433 0.0011 0.0006 -0.0038 88 PHE A CA 1470 C C . PHE A 88 ? 0.1246 0.1155 0.1238 0.0015 0.0006 -0.0038 88 PHE A C 1471 O O . PHE A 88 ? 0.1578 0.1475 0.1569 0.0017 0.0006 -0.0039 88 PHE A O 1472 C CB . PHE A 88 ? 0.1557 0.1460 0.1541 0.0012 0.0009 -0.0044 88 PHE A CB 1473 C CG . PHE A 88 ? 0.1499 0.1404 0.1480 0.0017 0.0012 -0.0048 88 PHE A CG 1474 C CD1 . PHE A 88 ? 0.1753 0.1670 0.1733 0.0017 0.0013 -0.0049 88 PHE A CD1 1475 C CD2 . PHE A 88 ? 0.1440 0.1335 0.1418 0.0022 0.0013 -0.0050 88 PHE A CD2 1476 C CE1 . PHE A 88 ? 0.1709 0.1629 0.1687 0.0022 0.0016 -0.0052 88 PHE A CE1 1477 C CE2 . PHE A 88 ? 0.1655 0.1552 0.1631 0.0027 0.0015 -0.0054 88 PHE A CE2 1478 C CZ . PHE A 88 ? 0.1518 0.1429 0.1494 0.0027 0.0017 -0.0055 88 PHE A CZ 1488 N N . PRO A 89 ? 0.1250 0.1170 0.1245 0.0017 0.0007 -0.0036 89 PRO A N 1489 C CA . PRO A 89 ? 0.1269 0.1204 0.1267 0.0015 0.0007 -0.0034 89 PRO A CA 1490 C C . PRO A 89 ? 0.1437 0.1379 0.1442 0.0011 0.0004 -0.0028 89 PRO A C 1491 O O . PRO A 89 ? 0.1582 0.1519 0.1591 0.0010 0.0002 -0.0025 89 PRO A O 1492 C CB . PRO A 89 ? 0.1518 0.1462 0.1518 0.0020 0.0008 -0.0034 89 PRO A CB 1493 C CG . PRO A 89 ? 0.1876 0.1809 0.1874 0.0024 0.0008 -0.0037 89 PRO A CG 1494 C CD . PRO A 89 ? 0.1183 0.1102 0.1179 0.0022 0.0007 -0.0037 89 PRO A CD 1502 N N . ALA A 90 ? 0.1419 0.1372 0.1425 0.0008 0.0004 -0.0025 90 ALA A N 1503 C CA . ALA A 90 ? 0.1163 0.1123 0.1177 0.0003 0.0002 -0.0018 90 ALA A CA 1504 C C . ALA A 90 ? 0.1134 0.1110 0.1149 0.0001 0.0003 -0.0015 90 ALA A C 1505 O O . ALA A 90 ? 0.1392 0.1370 0.1401 0.0001 0.0005 -0.0018 90 ALA A O 1506 C CB . ALA A 90 ? 0.1759 0.1710 0.1774 0.0000 0.0000 -0.0017 90 ALA A CB 1512 N N . PRO A 91 ? 0.1023 0.1009 0.1045 -0.0002 0.0001 -0.0008 91 PRO A N 1513 C CA . PRO A 91 ? 0.1238 0.1238 0.1261 -0.0005 0.0001 -0.0004 91 PRO A CA 1514 C C . PRO A 91 ? 0.1130 0.1128 0.1152 -0.0008 0.0001 -0.0003 91 PRO A C 1515 O O . PRO A 91 ? 0.1264 0.1250 0.1287 -0.0009 -0.0002 -0.0002 91 PRO A O 1516 C CB . PRO A 91 ? 0.1591 0.1599 0.1624 -0.0008 -0.0001 0.0005 91 PRO A CB 1517 C CG . PRO A 91 ? 0.1513 0.1514 0.1549 -0.0005 -0.0002 0.0003 91 PRO A CG 1518 C CD . PRO A 91 ? 0.1206 0.1191 0.1236 -0.0003 -0.0002 -0.0004 91 PRO A CD 1526 N N . VAL A 92 ? 0.0965 0.0974 0.0984 -0.0009 0.0002 -0.0002 92 VAL A N 1527 C CA . VAL A 92 ? 0.1045 0.1054 0.1062 -0.0013 0.0001 -0.0001 92 VAL A CA 1528 C C . VAL A 92 ? 0.1032 0.1058 0.1051 -0.0016 0.0001 0.0006 92 VAL A C 1529 O O . VAL A 92 ? 0.1175 0.1215 0.1194 -0.0015 0.0003 0.0006 92 VAL A O 1530 C CB . VAL A 92 ? 0.0994 0.0997 0.1003 -0.0011 0.0003 -0.0009 92 VAL A CB 1531 C CG1 . VAL A 92 ? 0.1281 0.1293 0.1283 -0.0009 0.0006 -0.0013 92 VAL A CG1 1532 C CG2 . VAL A 92 ? 0.1255 0.1256 0.1263 -0.0014 0.0002 -0.0008 92 VAL A CG2 1542 N N . HIS A 93 ? 0.0953 0.0980 0.0976 -0.0019 -0.0001 0.0012 93 HIS A N 1543 C CA . HIS A 93 ? 0.0892 0.0935 0.0916 -0.0023 -0.0002 0.0018 93 HIS A CA 1544 C C . HIS A 93 ? 0.0994 0.1037 0.1012 -0.0023 -0.0001 0.0014 93 HIS A C 1545 O O . HIS A 93 ? 0.0933 0.0964 0.0951 -0.0024 -0.0003 0.0012 93 HIS A O 1546 C CB . HIS A 93 ? 0.0983 0.1028 0.1017 -0.0026 -0.0005 0.0028 93 HIS A CB 1547 C CG . HIS A 93 ? 0.0895 0.0958 0.0931 -0.0029 -0.0005 0.0036 93 HIS A CG 1548 N ND1 . HIS A 93 ? 0.0929 0.0994 0.0964 -0.0032 -0.0007 0.0040 93 HIS A ND1 1549 C CD2 . HIS A 93 ? 0.1072 0.1151 0.1109 -0.0030 -0.0004 0.0041 93 HIS A CD2 1550 C CE1 . HIS A 93 ? 0.0935 0.1017 0.0971 -0.0034 -0.0007 0.0047 93 HIS A CE1 1551 N NE2 . HIS A 93 ? 0.1208 0.1299 0.1245 -0.0033 -0.0005 0.0048 93 HIS A NE2 1559 N N . ILE A 94 ? 0.0824 0.0880 0.0836 -0.0023 0.0001 0.0012 94 ILE A N 1560 C CA . ILE A 94 ? 0.0817 0.0874 0.0821 -0.0024 0.0001 0.0007 94 ILE A CA 1561 C C . ILE A 94 ? 0.1152 0.1227 0.1156 -0.0028 0.0000 0.0014 94 ILE A C 1562 O O . ILE A 94 ? 0.1227 0.1316 0.1231 -0.0028 0.0002 0.0017 94 ILE A O 1563 C CB . ILE A 94 ? 0.1039 0.1095 0.1033 -0.0021 0.0005 -0.0004 94 ILE A CB 1564 C CG1 . ILE A 94 ? 0.1383 0.1421 0.1377 -0.0018 0.0006 -0.0010 94 ILE A CG1 1565 C CG2 . ILE A 94 ? 0.1518 0.1576 0.1504 -0.0023 0.0005 -0.0009 94 ILE A CG2 1566 C CD1 . ILE A 94 ? 0.1774 0.1812 0.1761 -0.0013 0.0009 -0.0019 94 ILE A CD1 1578 N N . CYS A 95 ? 0.0864 0.0939 0.0869 -0.0031 -0.0002 0.0016 95 CYS A N 1579 C CA . CYS A 95 ? 0.1043 0.1135 0.1046 -0.0034 -0.0003 0.0022 95 CYS A CA 1580 C C . CYS A 95 ? 0.1070 0.1161 0.1066 -0.0035 -0.0003 0.0015 95 CYS A C 1581 O O . CYS A 95 ? 0.1127 0.1203 0.1123 -0.0035 -0.0004 0.0010 95 CYS A O 1582 C CB . CYS A 95 ? 0.1307 0.1403 0.1319 -0.0037 -0.0006 0.0034 95 CYS A CB 1583 S SG . CYS A 95 ? 0.2464 0.2566 0.2486 -0.0037 -0.0007 0.0045 95 CYS A SG 1588 N N . VAL A 96 ? 0.0813 0.0919 0.0802 -0.0036 -0.0002 0.0013 96 VAL A N 1589 C CA . VAL A 96 ? 0.0882 0.0990 0.0864 -0.0039 -0.0003 0.0008 96 VAL A CA 1590 C C . VAL A 96 ? 0.0977 0.1105 0.0957 -0.0042 -0.0005 0.0014 96 VAL A C 1591 O O . VAL A 96 ? 0.0950 0.1093 0.0927 -0.0042 -0.0003 0.0017 96 VAL A O 1592 C CB . VAL A 96 ? 0.1150 0.1250 0.1122 -0.0037 0.0000 -0.0006 96 VAL A CB 1593 C CG1 . VAL A 96 ? 0.1700 0.1813 0.1665 -0.0035 0.0003 -0.0009 96 VAL A CG1 1594 C CG2 . VAL A 96 ? 0.1573 0.1672 0.1540 -0.0039 -0.0002 -0.0012 96 VAL A CG2 1604 N N . SER A 97 ? 0.1090 0.1221 0.1071 -0.0045 -0.0008 0.0017 97 SER A N 1605 C CA . SER A 97 ? 0.0943 0.1095 0.0922 -0.0048 -0.0009 0.0022 97 SER A CA 1606 C C . SER A 97 ? 0.0895 0.1048 0.0865 -0.0050 -0.0010 0.0014 97 SER A C 1607 O O . SER A 97 ? 0.1017 0.1155 0.0987 -0.0050 -0.0010 0.0007 97 SER A O 1608 C CB . SER A 97 ? 0.1143 0.1300 0.1132 -0.0050 -0.0013 0.0036 97 SER A CB 1609 O OG . SER A 97 ? 0.1119 0.1264 0.1112 -0.0050 -0.0015 0.0036 97 SER A OG 1615 N N . TRP A 98 ? 0.0954 0.1126 0.0918 -0.0053 -0.0011 0.0015 98 TRP A N 1616 C CA . TRP A 98 ? 0.0943 0.1121 0.0900 -0.0056 -0.0012 0.0008 98 TRP A CA 1617 C C . TRP A 98 ? 0.1104 0.1304 0.1059 -0.0059 -0.0015 0.0016 98 TRP A C 1618 O O . TRP A 98 ? 0.1079 0.1294 0.1034 -0.0059 -0.0014 0.0023 98 TRP A O 1619 C CB . TRP A 98 ? 0.0896 0.1070 0.0840 -0.0055 -0.0009 -0.0006 98 TRP A CB 1620 C CG . TRP A 98 ? 0.0954 0.1133 0.0889 -0.0059 -0.0011 -0.0015 98 TRP A CG 1621 C CD1 . TRP A 98 ? 0.1221 0.1388 0.1157 -0.0061 -0.0012 -0.0021 98 TRP A CD1 1622 C CD2 . TRP A 98 ? 0.1189 0.1387 0.1115 -0.0061 -0.0011 -0.0018 98 TRP A CD2 1623 N NE1 . TRP A 98 ? 0.1389 0.1566 0.1315 -0.0065 -0.0014 -0.0028 98 TRP A NE1 1624 C CE2 . TRP A 98 ? 0.1311 0.1507 0.1231 -0.0065 -0.0013 -0.0026 98 TRP A CE2 1625 C CE3 . TRP A 98 ? 0.1651 0.1869 0.1572 -0.0061 -0.0010 -0.0014 98 TRP A CE3 1626 C CZ2 . TRP A 98 ? 0.1705 0.1918 0.1614 -0.0068 -0.0014 -0.0032 98 TRP A CZ2 1627 C CZ3 . TRP A 98 ? 0.1780 0.2015 0.1690 -0.0064 -0.0010 -0.0019 98 TRP A CZ3 1628 C CH2 . TRP A 98 ? 0.1825 0.2058 0.1730 -0.0068 -0.0013 -0.0028 98 TRP A CH2 1639 N N . GLU A 99 ? 0.1057 0.1260 0.1012 -0.0063 -0.0018 0.0017 99 GLU A N 1640 C CA . GLU A 99 ? 0.1118 0.1342 0.1073 -0.0066 -0.0022 0.0025 99 GLU A CA 1641 C C . GLU A 99 ? 0.1289 0.1521 0.1234 -0.0070 -0.0023 0.0015 99 GLU A C 1642 O O . GLU A 99 ? 0.1351 0.1572 0.1297 -0.0071 -0.0025 0.0009 99 GLU A O 1643 C CB . GLU A 99 ? 0.1597 0.1818 0.1565 -0.0066 -0.0025 0.0036 99 GLU A CB 1644 C CG . GLU A 99 ? 0.2344 0.2585 0.2313 -0.0069 -0.0029 0.0047 99 GLU A CG 1645 C CD . GLU A 99 ? 0.2419 0.2653 0.2401 -0.0068 -0.0032 0.0057 99 GLU A CD 1646 O OE1 . GLU A 99 ? 0.3306 0.3547 0.3297 -0.0067 -0.0034 0.0070 99 GLU A OE1 1647 O OE2 . GLU A 99 ? 0.1885 0.2108 0.1870 -0.0069 -0.0033 0.0051 99 GLU A OE2 1654 N N . SER A 100 ? 0.1240 0.1490 0.1174 -0.0071 -0.0023 0.0012 100 SER A N 1655 C CA . SER A 100 ? 0.1271 0.1528 0.1194 -0.0075 -0.0024 0.0002 100 SER A CA 1656 C C . SER A 100 ? 0.1441 0.1704 0.1369 -0.0079 -0.0029 0.0007 100 SER A C 1657 O O . SER A 100 ? 0.1516 0.1774 0.1440 -0.0083 -0.0031 -0.0003 100 SER A O 1658 C CB . SER A 100 ? 0.1462 0.1742 0.1375 -0.0077 -0.0023 0.0001 100 SER A CB 1659 O OG . SER A 100 ? 0.1558 0.1846 0.1461 -0.0081 -0.0026 -0.0009 100 SER A OG 1665 N N . SER A 101 ? 0.1094 0.1368 0.1031 -0.0080 -0.0032 0.0022 101 SER A N 1666 C CA . SER A 101 ? 0.1387 0.1672 0.1328 -0.0083 -0.0037 0.0027 101 SER A CA 1667 C C . SER A 101 ? 0.1553 0.1820 0.1499 -0.0084 -0.0038 0.0022 101 SER A C 1668 O O . SER A 101 ? 0.1563 0.1836 0.1507 -0.0088 -0.0041 0.0018 101 SER A O 1669 C CB . SER A 101 ? 0.1947 0.2244 0.1898 -0.0082 -0.0040 0.0045 101 SER A CB 1670 O OG . SER A 101 ? 0.2241 0.2522 0.2204 -0.0078 -0.0038 0.0052 101 SER A OG 1676 N N . SER A 102 ? 0.1300 0.1546 0.1254 -0.0080 -0.0035 0.0021 102 SER A N 1677 C CA . SER A 102 ? 0.1034 0.1262 0.0993 -0.0080 -0.0036 0.0017 102 SER A CA 1678 C C . SER A 102 ? 0.1035 0.1244 0.0987 -0.0079 -0.0032 0.0002 102 SER A C 1679 O O . SER A 102 ? 0.1129 0.1325 0.1084 -0.0081 -0.0032 -0.0004 102 SER A O 1680 C CB . SER A 102 ? 0.1061 0.1278 0.1034 -0.0076 -0.0035 0.0027 102 SER A CB 1681 O OG . SER A 102 ? 0.1280 0.1486 0.1253 -0.0072 -0.0032 0.0027 102 SER A OG 1687 N N . GLY A 103 ? 0.0915 0.1122 0.0860 -0.0077 -0.0029 -0.0003 103 GLY A N 1688 C CA . GLY A 103 ? 0.0853 0.1041 0.0793 -0.0075 -0.0025 -0.0016 103 GLY A CA 1689 C C . GLY A 103 ? 0.0870 0.1038 0.0818 -0.0071 -0.0022 -0.0013 103 GLY A C 1690 O O . GLY A 103 ? 0.1010 0.1163 0.0956 -0.0069 -0.0019 -0.0022 103 GLY A O 1694 N N . ILE A 104 ? 0.0981 0.1151 0.0941 -0.0069 -0.0024 -0.0001 104 ILE A N 1695 C CA . ILE A 104 ? 0.1004 0.1155 0.0972 -0.0065 -0.0022 0.0001 104 ILE A CA 1696 C C . ILE A 104 ? 0.0989 0.1133 0.0955 -0.0061 -0.0019 0.0001 104 ILE A C 1697 O O . ILE A 104 ? 0.1016 0.1174 0.0983 -0.0060 -0.0018 0.0007 104 ILE A O 1698 C CB . ILE A 104 ? 0.1046 0.1199 0.1026 -0.0064 -0.0025 0.0014 104 ILE A CB 1699 C CG1 . ILE A 104 ? 0.1193 0.1349 0.1176 -0.0068 -0.0028 0.0015 104 ILE A CG1 1700 C CG2 . ILE A 104 ? 0.1113 0.1247 0.1101 -0.0060 -0.0023 0.0017 104 ILE A CG2 1701 C CD1 . ILE A 104 ? 0.1227 0.1365 0.1209 -0.0068 -0.0027 0.0005 104 ILE A CD1 1713 N N . ALA A 105 ? 0.0953 0.1079 0.0920 -0.0059 -0.0016 -0.0007 105 ALA A N 1714 C CA . ALA A 105 ? 0.0930 0.1047 0.0896 -0.0054 -0.0013 -0.0008 105 ALA A CA 1715 C C . ALA A 105 ? 0.1171 0.1274 0.1148 -0.0052 -0.0013 -0.0002 105 ALA A C 1716 O O . ALA A 105 ? 0.1106 0.1196 0.1085 -0.0052 -0.0014 -0.0005 105 ALA A O 1717 C CB . ALA A 105 ? 0.1322 0.1428 0.1279 -0.0053 -0.0010 -0.0021 105 ALA A CB 1723 N N . GLU A 106 ? 0.0946 0.1051 0.0929 -0.0049 -0.0013 0.0006 106 GLU A N 1724 C CA . GLU A 106 ? 0.1065 0.1156 0.1057 -0.0047 -0.0013 0.0011 106 GLU A CA 1725 C C . GLU A 106 ? 0.1161 0.1244 0.1153 -0.0043 -0.0010 0.0008 106 GLU A C 1726 O O . GLU A 106 ? 0.1361 0.1454 0.1352 -0.0043 -0.0009 0.0013 106 GLU A O 1727 C CB . GLU A 106 ? 0.1617 0.1717 0.1618 -0.0047 -0.0016 0.0024 106 GLU A CB 1728 C CG . GLU A 106 ? 0.1969 0.2080 0.1974 -0.0050 -0.0019 0.0030 106 GLU A CG 1729 C CD . GLU A 106 ? 0.2846 0.2961 0.2861 -0.0049 -0.0021 0.0044 106 GLU A CD 1730 O OE1 . GLU A 106 ? 0.2571 0.2696 0.2590 -0.0051 -0.0024 0.0050 106 GLU A OE1 1731 O OE2 . GLU A 106 ? 0.2066 0.2175 0.2087 -0.0047 -0.0020 0.0049 106 GLU A OE2 1738 N N . PHE A 107 ? 0.0926 0.0992 0.0918 -0.0041 -0.0009 0.0002 107 PHE A N 1739 C CA . PHE A 107 ? 0.0879 0.0935 0.0872 -0.0038 -0.0007 0.0001 107 PHE A CA 1740 C C . PHE A 107 ? 0.0845 0.0893 0.0848 -0.0036 -0.0008 0.0008 107 PHE A C 1741 O O . PHE A 107 ? 0.0917 0.0959 0.0925 -0.0037 -0.0010 0.0010 107 PHE A O 1742 C CB . PHE A 107 ? 0.1018 0.1058 0.1005 -0.0035 -0.0004 -0.0010 107 PHE A CB 1743 C CG . PHE A 107 ? 0.1186 0.1230 0.1163 -0.0034 -0.0001 -0.0019 107 PHE A CG 1744 C CD1 . PHE A 107 ? 0.1093 0.1142 0.1069 -0.0032 0.0001 -0.0019 107 PHE A CD1 1745 C CD2 . PHE A 107 ? 0.1196 0.1239 0.1165 -0.0036 -0.0001 -0.0027 107 PHE A CD2 1746 C CE1 . PHE A 107 ? 0.1144 0.1195 0.1111 -0.0030 0.0004 -0.0027 107 PHE A CE1 1747 C CE2 . PHE A 107 ? 0.1206 0.1251 0.1167 -0.0035 0.0002 -0.0035 107 PHE A CE2 1748 C CZ . PHE A 107 ? 0.1098 0.1147 0.1057 -0.0032 0.0004 -0.0036 107 PHE A CZ 1758 N N . TRP A 108 ? 0.0793 0.0843 0.0800 -0.0035 -0.0008 0.0013 108 TRP A N 1759 C CA . TRP A 108 ? 0.0723 0.0764 0.0739 -0.0034 -0.0009 0.0018 108 TRP A CA 1760 C C . TRP A 108 ? 0.0758 0.0791 0.0773 -0.0031 -0.0007 0.0014 108 TRP A C 1761 O O . TRP A 108 ? 0.0956 0.0998 0.0968 -0.0030 -0.0005 0.0014 108 TRP A O 1762 C CB . TRP A 108 ? 0.0902 0.0954 0.0925 -0.0035 -0.0011 0.0030 108 TRP A CB 1763 C CG . TRP A 108 ? 0.0982 0.1043 0.1008 -0.0038 -0.0014 0.0036 108 TRP A CG 1764 C CD1 . TRP A 108 ? 0.1386 0.1461 0.1406 -0.0040 -0.0014 0.0035 108 TRP A CD1 1765 C CD2 . TRP A 108 ? 0.0984 0.1041 0.1019 -0.0038 -0.0016 0.0043 108 TRP A CD2 1766 N NE1 . TRP A 108 ? 0.1480 0.1560 0.1506 -0.0042 -0.0017 0.0042 108 TRP A NE1 1767 C CE2 . TRP A 108 ? 0.1213 0.1282 0.1248 -0.0040 -0.0018 0.0048 108 TRP A CE2 1768 C CE3 . TRP A 108 ? 0.1085 0.1130 0.1128 -0.0037 -0.0018 0.0047 108 TRP A CE3 1769 C CZ2 . TRP A 108 ? 0.1306 0.1375 0.1349 -0.0041 -0.0021 0.0056 108 TRP A CZ2 1770 C CZ3 . TRP A 108 ? 0.1440 0.1483 0.1491 -0.0037 -0.0020 0.0054 108 TRP A CZ3 1771 C CH2 . TRP A 108 ? 0.1444 0.1500 0.1496 -0.0039 -0.0022 0.0059 108 TRP A CH2 1782 N N . ILE A 109 ? 0.0730 0.0747 0.0747 -0.0029 -0.0007 0.0011 109 ILE A N 1783 C CA . ILE A 109 ? 0.0837 0.0845 0.0853 -0.0026 -0.0006 0.0007 109 ILE A CA 1784 C C . ILE A 109 ? 0.0869 0.0871 0.0895 -0.0025 -0.0008 0.0013 109 ILE A C 1785 O O . ILE A 109 ? 0.1088 0.1080 0.1117 -0.0025 -0.0009 0.0014 109 ILE A O 1786 C CB . ILE A 109 ? 0.0948 0.0943 0.0958 -0.0024 -0.0004 -0.0003 109 ILE A CB 1787 C CG1 . ILE A 109 ? 0.1297 0.1298 0.1299 -0.0024 -0.0002 -0.0009 109 ILE A CG1 1788 C CG2 . ILE A 109 ? 0.1219 0.1205 0.1229 -0.0020 -0.0002 -0.0006 109 ILE A CG2 1789 C CD1 . ILE A 109 ? 0.1318 0.1330 0.1315 -0.0023 0.0000 -0.0011 109 ILE A CD1 1801 N N . ASN A 110 ? 0.0981 0.0987 0.1009 -0.0025 -0.0008 0.0016 110 ASN A N 1802 C CA . ASN A 110 ? 0.1164 0.1165 0.1202 -0.0025 -0.0010 0.0022 110 ASN A CA 1803 C C . ASN A 110 ? 0.1159 0.1160 0.1203 -0.0028 -0.0013 0.0029 110 ASN A C 1804 O O . ASN A 110 ? 0.1611 0.1600 0.1660 -0.0027 -0.0014 0.0030 110 ASN A O 1805 C CB . ASN A 110 ? 0.1383 0.1369 0.1420 -0.0023 -0.0010 0.0016 110 ASN A CB 1806 C CG . ASN A 110 ? 0.1588 0.1573 0.1619 -0.0020 -0.0007 0.0011 110 ASN A CG 1807 O OD1 . ASN A 110 ? 0.1545 0.1542 0.1576 -0.0020 -0.0006 0.0012 110 ASN A OD1 1808 N ND2 . ASN A 110 ? 0.2072 0.2045 0.2100 -0.0017 -0.0006 0.0004 110 ASN A ND2 1815 N N . GLY A 111 ? 0.0957 0.0971 0.1001 -0.0030 -0.0013 0.0034 111 GLY A N 1816 C CA . GLY A 111 ? 0.1270 0.1286 0.1321 -0.0032 -0.0016 0.0042 111 GLY A CA 1817 C C . GLY A 111 ? 0.1534 0.1542 0.1583 -0.0031 -0.0016 0.0039 111 GLY A C 1818 O O . GLY A 111 ? 0.1953 0.1961 0.2009 -0.0032 -0.0018 0.0045 111 GLY A O 1822 N N . THR A 112 ? 0.1155 0.1156 0.1198 -0.0030 -0.0014 0.0030 112 THR A N 1823 C CA . THR A 112 ? 0.1213 0.1207 0.1254 -0.0029 -0.0014 0.0027 112 THR A CA 1824 C C . THR A 112 ? 0.0974 0.0978 0.1008 -0.0031 -0.0013 0.0023 112 THR A C 1825 O O . THR A 112 ? 0.1053 0.1059 0.1080 -0.0031 -0.0011 0.0017 112 THR A O 1826 C CB . THR A 112 ? 0.1805 0.1784 0.1844 -0.0027 -0.0013 0.0019 112 THR A CB 1827 O OG1 . THR A 112 ? 0.4013 0.3991 0.4044 -0.0026 -0.0011 0.0012 112 THR A OG1 1828 C CG2 . THR A 112 ? 0.1629 0.1598 0.1674 -0.0025 -0.0014 0.0021 112 THR A CG2 1836 N N . PRO A 113 ? 0.0813 0.0823 0.0851 -0.0032 -0.0015 0.0027 113 PRO A N 1837 C CA . PRO A 113 ? 0.0839 0.0858 0.0869 -0.0034 -0.0014 0.0024 113 PRO A CA 1838 C C . PRO A 113 ? 0.0776 0.0786 0.0800 -0.0034 -0.0013 0.0014 113 PRO A C 1839 O O . PRO A 113 ? 0.0938 0.0936 0.0965 -0.0033 -0.0013 0.0012 113 PRO A O 1840 C CB . PRO A 113 ? 0.0797 0.0825 0.0833 -0.0036 -0.0017 0.0031 113 PRO A CB 1841 C CG . PRO A 113 ? 0.0985 0.1002 0.1030 -0.0034 -0.0018 0.0035 113 PRO A CG 1842 C CD . PRO A 113 ? 0.0879 0.0887 0.0926 -0.0032 -0.0017 0.0034 113 PRO A CD 1850 N N . LEU A 114 ? 0.0589 0.0603 0.0604 -0.0035 -0.0011 0.0007 114 LEU A N 1851 C CA . LEU A 114 ? 0.0647 0.0653 0.0656 -0.0036 -0.0010 -0.0001 114 LEU A CA 1852 C C . LEU A 114 ? 0.0742 0.0757 0.0751 -0.0039 -0.0011 0.0000 114 LEU A C 1853 O O . LEU A 114 ? 0.0840 0.0868 0.0853 -0.0041 -0.0013 0.0007 114 LEU A O 1854 C CB . LEU A 114 ? 0.0709 0.0715 0.0709 -0.0035 -0.0007 -0.0009 114 LEU A CB 1855 C CG . LEU A 114 ? 0.1135 0.1135 0.1135 -0.0032 -0.0005 -0.0010 114 LEU A CG 1856 C CD1 . LEU A 114 ? 0.0910 0.0904 0.0901 -0.0030 -0.0003 -0.0020 114 LEU A CD1 1857 C CD2 . LEU A 114 ? 0.1360 0.1347 0.1366 -0.0029 -0.0006 -0.0008 114 LEU A CD2 1869 N N . VAL A 115 ? 0.0636 0.0645 0.0642 -0.0040 -0.0010 -0.0007 115 VAL A N 1870 C CA . VAL A 115 ? 0.0697 0.0714 0.0702 -0.0044 -0.0012 -0.0007 115 VAL A CA 1871 C C . VAL A 115 ? 0.0612 0.0644 0.0611 -0.0047 -0.0013 -0.0008 115 VAL A C 1872 O O . VAL A 115 ? 0.0888 0.0919 0.0879 -0.0046 -0.0011 -0.0015 115 VAL A O 1873 C CB . VAL A 115 ? 0.0818 0.0825 0.0820 -0.0045 -0.0011 -0.0014 115 VAL A CB 1874 C CG1 . VAL A 115 ? 0.0827 0.0844 0.0829 -0.0050 -0.0013 -0.0014 115 VAL A CG1 1875 C CG2 . VAL A 115 ? 0.0928 0.0921 0.0935 -0.0042 -0.0010 -0.0013 115 VAL A CG2 1885 N N . LYS A 116 ? 0.0757 0.0804 0.0758 -0.0049 -0.0015 -0.0002 116 LYS A N 1886 C CA . LYS A 116 ? 0.0752 0.0815 0.0747 -0.0052 -0.0016 -0.0003 116 LYS A CA 1887 C C . LYS A 116 ? 0.0876 0.0937 0.0862 -0.0055 -0.0016 -0.0013 116 LYS A C 1888 O O . LYS A 116 ? 0.1122 0.1177 0.1110 -0.0057 -0.0016 -0.0016 116 LYS A O 1889 C CB . LYS A 116 ? 0.0919 0.0999 0.0920 -0.0054 -0.0020 0.0007 116 LYS A CB 1890 C CG . LYS A 116 ? 0.1239 0.1324 0.1247 -0.0052 -0.0021 0.0018 116 LYS A CG 1891 C CD . LYS A 116 ? 0.1794 0.1893 0.1810 -0.0053 -0.0024 0.0028 116 LYS A CD 1892 C CE . LYS A 116 ? 0.2832 0.2939 0.2853 -0.0052 -0.0026 0.0040 116 LYS A CE 1893 N NZ . LYS A 116 ? 0.1954 0.2046 0.1984 -0.0048 -0.0025 0.0043 116 LYS A NZ 1907 N N . LYS A 117 ? 0.0951 0.1020 0.0929 -0.0057 -0.0015 -0.0018 117 LYS A N 1908 C CA . LYS A 117 ? 0.0883 0.0952 0.0853 -0.0060 -0.0014 -0.0028 117 LYS A CA 1909 C C . LYS A 117 ? 0.1030 0.1119 0.0994 -0.0063 -0.0016 -0.0027 117 LYS A C 1910 O O . LYS A 117 ? 0.1411 0.1513 0.1378 -0.0062 -0.0017 -0.0019 117 LYS A O 1911 C CB . LYS A 117 ? 0.1051 0.1105 0.1013 -0.0058 -0.0011 -0.0038 117 LYS A CB 1912 C CG . LYS A 117 ? 0.1060 0.1095 0.1027 -0.0055 -0.0009 -0.0039 117 LYS A CG 1913 C CD . LYS A 117 ? 0.1363 0.1391 0.1333 -0.0058 -0.0010 -0.0041 117 LYS A CD 1914 C CE . LYS A 117 ? 0.1271 0.1282 0.1247 -0.0055 -0.0009 -0.0039 117 LYS A CE 1915 N NZ . LYS A 117 ? 0.1293 0.1289 0.1263 -0.0051 -0.0006 -0.0046 117 LYS A NZ 1929 N N . GLY A 118 ? 0.0845 0.0939 0.0801 -0.0067 -0.0017 -0.0036 118 GLY A N 1930 C CA . GLY A 118 ? 0.0969 0.1082 0.0919 -0.0071 -0.0019 -0.0035 118 GLY A CA 1931 C C . GLY A 118 ? 0.1111 0.1223 0.1049 -0.0073 -0.0017 -0.0048 118 GLY A C 1932 O O . GLY A 118 ? 0.1210 0.1309 0.1145 -0.0074 -0.0017 -0.0057 118 GLY A O 1936 N N . LEU A 119 ? 0.1125 0.1253 0.1056 -0.0073 -0.0017 -0.0048 119 LEU A N 1937 C CA . LEU A 119 ? 0.0919 0.1048 0.0838 -0.0074 -0.0016 -0.0061 119 LEU A CA 1938 C C . LEU A 119 ? 0.1030 0.1183 0.0943 -0.0075 -0.0017 -0.0058 119 LEU A C 1939 O O . LEU A 119 ? 0.1101 0.1265 0.1018 -0.0073 -0.0017 -0.0047 119 LEU A O 1940 C CB . LEU A 119 ? 0.1070 0.1183 0.0984 -0.0069 -0.0011 -0.0068 119 LEU A CB 1941 C CG . LEU A 119 ? 0.0980 0.1098 0.0895 -0.0064 -0.0008 -0.0064 119 LEU A CG 1942 C CD1 . LEU A 119 ? 0.1182 0.1285 0.1092 -0.0059 -0.0004 -0.0073 119 LEU A CD1 1943 C CD2 . LEU A 119 ? 0.1243 0.1361 0.1171 -0.0061 -0.0009 -0.0050 119 LEU A CD2 1955 N N . ARG A 120 ? 0.1060 0.1219 0.0962 -0.0079 -0.0017 -0.0068 120 ARG A N 1956 C CA . ARG A 120 ? 0.0925 0.1105 0.0819 -0.0080 -0.0017 -0.0069 120 ARG A CA 1957 C C . ARG A 120 ? 0.1181 0.1383 0.1079 -0.0082 -0.0021 -0.0055 120 ARG A C 1958 O O . ARG A 120 ? 0.1294 0.1514 0.1189 -0.0081 -0.0021 -0.0050 120 ARG A O 1959 C CB . ARG A 120 ? 0.1376 0.1555 0.1266 -0.0074 -0.0013 -0.0070 120 ARG A CB 1960 C CG . ARG A 120 ? 0.1493 0.1657 0.1374 -0.0072 -0.0009 -0.0086 120 ARG A CG 1961 C CD . ARG A 120 ? 0.1962 0.2138 0.1831 -0.0076 -0.0011 -0.0096 120 ARG A CD 1962 N NE . ARG A 120 ? 0.2165 0.2332 0.2024 -0.0073 -0.0006 -0.0110 120 ARG A NE 1963 C CZ . ARG A 120 ? 0.1657 0.1830 0.1503 -0.0076 -0.0007 -0.0121 120 ARG A CZ 1964 N NH1 . ARG A 120 ? 0.2152 0.2341 0.1994 -0.0082 -0.0011 -0.0121 120 ARG A NH1 1965 N NH2 . ARG A 120 ? 0.1963 0.2127 0.1802 -0.0072 -0.0003 -0.0133 120 ARG A NH2 1979 N N . GLN A 121 ? 0.1213 0.1416 0.1118 -0.0085 -0.0025 -0.0050 121 GLN A N 1980 C CA . GLN A 121 ? 0.1223 0.1446 0.1133 -0.0088 -0.0029 -0.0037 121 GLN A CA 1981 C C . GLN A 121 ? 0.1497 0.1743 0.1395 -0.0091 -0.0030 -0.0041 121 GLN A C 1982 O O . GLN A 121 ? 0.1480 0.1726 0.1370 -0.0095 -0.0031 -0.0053 121 GLN A O 1983 C CB . GLN A 121 ? 0.1457 0.1680 0.1376 -0.0091 -0.0033 -0.0033 121 GLN A CB 1984 C CG . GLN A 121 ? 0.1352 0.1595 0.1276 -0.0093 -0.0037 -0.0020 121 GLN A CG 1985 C CD . GLN A 121 ? 0.1708 0.1950 0.1641 -0.0096 -0.0041 -0.0015 121 GLN A CD 1986 O OE1 . GLN A 121 ? 0.1772 0.2005 0.1704 -0.0099 -0.0042 -0.0025 121 GLN A OE1 1987 N NE2 . GLN A 121 ? 0.1699 0.1952 0.1643 -0.0095 -0.0043 -0.0001 121 GLN A NE2 1996 N N . GLY A 122 ? 0.1316 0.1581 0.1215 -0.0090 -0.0031 -0.0030 122 GLY A N 1997 C CA . GLY A 122 ? 0.1250 0.1539 0.1138 -0.0092 -0.0032 -0.0032 122 GLY A CA 1998 C C . GLY A 122 ? 0.1522 0.1813 0.1398 -0.0089 -0.0028 -0.0040 122 GLY A C 1999 O O . GLY A 122 ? 0.1891 0.2204 0.1759 -0.0091 -0.0028 -0.0041 122 GLY A O 2003 N N . TYR A 123 ? 0.1429 0.1699 0.1306 -0.0085 -0.0023 -0.0047 123 TYR A N 2004 C CA . TYR A 123 ? 0.1354 0.1624 0.1221 -0.0082 -0.0018 -0.0057 123 TYR A CA 2005 C C . TYR A 123 ? 0.1737 0.2020 0.1607 -0.0078 -0.0016 -0.0046 123 TYR A C 2006 O O . TYR A 123 ? 0.1699 0.1983 0.1580 -0.0077 -0.0017 -0.0032 123 TYR A O 2007 C CB . TYR A 123 ? 0.1586 0.1828 0.1455 -0.0078 -0.0015 -0.0067 123 TYR A CB 2008 C CG . TYR A 123 ? 0.1854 0.2092 0.1713 -0.0074 -0.0009 -0.0078 123 TYR A CG 2009 C CD1 . TYR A 123 ? 0.1884 0.2122 0.1730 -0.0075 -0.0009 -0.0093 123 TYR A CD1 2010 C CD2 . TYR A 123 ? 0.1775 0.2006 0.1638 -0.0067 -0.0005 -0.0075 123 TYR A CD2 2011 C CE1 . TYR A 123 ? 0.1868 0.2101 0.1706 -0.0071 -0.0004 -0.0104 123 TYR A CE1 2012 C CE2 . TYR A 123 ? 0.1837 0.2064 0.1693 -0.0063 -0.0001 -0.0085 123 TYR A CE2 2013 C CZ . TYR A 123 ? 0.1879 0.2107 0.1722 -0.0064 0.0000 -0.0100 123 TYR A CZ 2014 O OH . TYR A 123 ? 0.2257 0.2480 0.2092 -0.0059 0.0005 -0.0111 123 TYR A OH 2024 N N . PHE A 124 ? 0.1771 0.2066 0.1630 -0.0076 -0.0013 -0.0052 124 PHE A N 2025 C CA . PHE A 124 ? 0.2018 0.2326 0.1880 -0.0072 -0.0010 -0.0042 124 PHE A CA 2026 C C . PHE A 124 ? 0.2094 0.2388 0.1953 -0.0066 -0.0004 -0.0052 124 PHE A C 2027 O O . PHE A 124 ? 0.2242 0.2532 0.2088 -0.0065 -0.0002 -0.0067 124 PHE A O 2028 C CB . PHE A 124 ? 0.2493 0.2829 0.2345 -0.0074 -0.0010 -0.0040 124 PHE A CB 2029 C CG . PHE A 124 ? 0.2898 0.3252 0.2753 -0.0079 -0.0016 -0.0027 124 PHE A CG 2030 C CD1 . PHE A 124 ? 0.3972 0.4324 0.3827 -0.0084 -0.0020 -0.0030 124 PHE A CD1 2031 C CD2 . PHE A 124 ? 0.4768 0.5142 0.4627 -0.0078 -0.0016 -0.0012 124 PHE A CD2 2032 C CE1 . PHE A 124 ? 0.4659 0.5029 0.4517 -0.0088 -0.0025 -0.0018 124 PHE A CE1 2033 C CE2 . PHE A 124 ? 0.5482 0.5873 0.5344 -0.0082 -0.0021 0.0000 124 PHE A CE2 2034 C CZ . PHE A 124 ? 0.5196 0.5586 0.5058 -0.0087 -0.0026 -0.0003 124 PHE A CZ 2044 N N . VAL A 125 ? 0.2323 0.2607 0.2191 -0.0062 -0.0001 -0.0045 125 VAL A N 2045 C CA . VAL A 125 ? 0.2141 0.2414 0.2008 -0.0056 0.0004 -0.0053 125 VAL A CA 2046 C C . VAL A 125 ? 0.2188 0.2482 0.2045 -0.0054 0.0007 -0.0054 125 VAL A C 2047 O O . VAL A 125 ? 0.2252 0.2567 0.2111 -0.0055 0.0007 -0.0042 125 VAL A O 2048 C CB . VAL A 125 ? 0.1954 0.2214 0.1834 -0.0053 0.0005 -0.0043 125 VAL A CB 2049 C CG1 . VAL A 125 ? 0.2394 0.2647 0.2272 -0.0046 0.0010 -0.0049 125 VAL A CG1 2050 C CG2 . VAL A 125 ? 0.2136 0.2373 0.2023 -0.0054 0.0002 -0.0044 125 VAL A CG2 2060 N N . GLU A 126 ? 0.2626 0.2917 0.2473 -0.0051 0.0011 -0.0069 126 GLU A N 2061 C CA A GLU A 126 ? 0.3030 0.3343 0.2867 -0.0049 0.0015 -0.0072 126 GLU A CA 2062 C CA B GLU A 126 ? 0.2995 0.3307 0.2832 -0.0049 0.0015 -0.0073 126 GLU A CA 2063 C C . GLU A 126 ? 0.3773 0.4094 0.3617 -0.0044 0.0018 -0.0062 126 GLU A C 2064 O O . GLU A 126 ? 0.2919 0.3224 0.2773 -0.0041 0.0019 -0.0058 126 GLU A O 2065 C CB A GLU A 126 ? 0.3362 0.3668 0.3186 -0.0046 0.0018 -0.0091 126 GLU A CB 2066 C CB B GLU A 126 ? 0.3105 0.3407 0.2930 -0.0045 0.0018 -0.0092 126 GLU A CB 2067 C CG A GLU A 126 ? 0.4106 0.4426 0.3916 -0.0051 0.0016 -0.0099 126 GLU A CG 2068 C CG B GLU A 126 ? 0.3552 0.3834 0.3373 -0.0049 0.0015 -0.0104 126 GLU A CG 2069 C CD A GLU A 126 ? 0.4126 0.4478 0.3933 -0.0054 0.0014 -0.0088 126 GLU A CD 2070 C CD B GLU A 126 ? 0.4336 0.4626 0.4142 -0.0052 0.0015 -0.0117 126 GLU A CD 2071 O OE1 A GLU A 126 ? 0.3352 0.3720 0.3159 -0.0050 0.0018 -0.0082 126 GLU A OE1 2072 O OE1 B GLU A 126 ? 0.4988 0.5299 0.4790 -0.0057 0.0011 -0.0112 126 GLU A OE1 2073 O OE2 A GLU A 126 ? 0.4940 0.5301 0.4745 -0.0060 0.0009 -0.0084 126 GLU A OE2 2074 O OE2 B GLU A 126 ? 0.3655 0.3930 0.3454 -0.0050 0.0017 -0.0133 126 GLU A OE2 2087 N N . ALA A 127 ? 0.3579 0.3926 0.3418 -0.0044 0.0020 -0.0057 127 ALA A N 2088 C CA . ALA A 127 ? 0.4278 0.4636 0.4123 -0.0041 0.0024 -0.0046 127 ALA A CA 2089 C C . ALA A 127 ? 0.2372 0.2732 0.2209 -0.0034 0.0030 -0.0058 127 ALA A C 2090 O O . ALA A 127 ? 0.3115 0.3463 0.2943 -0.0032 0.0032 -0.0075 127 ALA A O 2091 C CB . ALA A 127 ? 0.5334 0.5720 0.5179 -0.0044 0.0022 -0.0032 127 ALA A CB 2097 N N . GLN A 128 ? 0.3473 0.3849 0.3313 -0.0031 0.0034 -0.0050 128 GLN A N 2098 C CA . GLN A 128 ? 0.3984 0.4364 0.3821 -0.0024 0.0040 -0.0058 128 GLN A CA 2099 C C . GLN A 128 ? 0.3386 0.3737 0.3227 -0.0019 0.0042 -0.0068 128 GLN A C 2100 O O . GLN A 128 ? 0.2885 0.3227 0.2717 -0.0015 0.0045 -0.0084 128 GLN A O 2101 C CB . GLN A 128 ? 0.4556 0.4951 0.4376 -0.0022 0.0044 -0.0071 128 GLN A CB 2102 C CG . GLN A 128 ? 0.5515 0.5938 0.5327 -0.0028 0.0041 -0.0064 128 GLN A CG 2103 C CD . GLN A 128 ? 0.6981 0.7426 0.6802 -0.0029 0.0042 -0.0045 128 GLN A CD 2104 O OE1 . GLN A 128 ? 0.8335 0.8771 0.8170 -0.0031 0.0039 -0.0031 128 GLN A OE1 2105 N NE2 . GLN A 128 ? 0.7882 0.8355 0.7694 -0.0029 0.0045 -0.0043 128 GLN A NE2 2114 N N . PRO A 129 ? 0.2467 0.2801 0.2321 -0.0020 0.0039 -0.0059 129 PRO A N 2115 C CA . PRO A 129 ? 0.2437 0.2743 0.2295 -0.0016 0.0041 -0.0068 129 PRO A CA 2116 C C . PRO A 129 ? 0.1640 0.1948 0.1502 -0.0008 0.0046 -0.0070 129 PRO A C 2117 O O . PRO A 129 ? 0.2885 0.3213 0.2750 -0.0007 0.0048 -0.0061 129 PRO A O 2118 C CB . PRO A 129 ? 0.2168 0.2461 0.2040 -0.0019 0.0036 -0.0056 129 PRO A CB 2119 C CG . PRO A 129 ? 0.2347 0.2663 0.2225 -0.0023 0.0035 -0.0039 129 PRO A CG 2120 C CD . PRO A 129 ? 0.2831 0.3171 0.2697 -0.0025 0.0036 -0.0041 129 PRO A CD 2128 N N . LYS A 130 ? 0.2185 0.2471 0.2046 -0.0003 0.0048 -0.0082 130 LYS A N 2129 C CA . LYS A 130 ? 0.2192 0.2472 0.2060 0.0003 0.0051 -0.0081 130 LYS A CA 2130 C C . LYS A 130 ? 0.1963 0.2220 0.1843 0.0001 0.0048 -0.0075 130 LYS A C 2131 O O . LYS A 130 ? 0.2036 0.2273 0.1913 0.0000 0.0045 -0.0083 130 LYS A O 2132 C CB . LYS A 130 ? 0.2756 0.3027 0.2616 0.0011 0.0056 -0.0097 130 LYS A CB 2133 C CG . LYS A 130 ? 0.4344 0.4640 0.4195 0.0014 0.0061 -0.0101 130 LYS A CG 2134 C CD . LYS A 130 ? 0.4965 0.5253 0.4811 0.0024 0.0067 -0.0116 130 LYS A CD 2135 C CE . LYS A 130 ? 0.6806 0.7121 0.6648 0.0029 0.0073 -0.0116 130 LYS A CE 2136 N NZ . LYS A 130 ? 0.6902 0.7240 0.6733 0.0024 0.0073 -0.0116 130 LYS A NZ 2150 N N . ILE A 131 ? 0.1879 0.2140 0.1771 0.0001 0.0047 -0.0063 131 ILE A N 2151 C CA . ILE A 131 ? 0.1332 0.1573 0.1235 -0.0001 0.0043 -0.0056 131 ILE A CA 2152 C C . ILE A 131 ? 0.1370 0.1601 0.1279 0.0006 0.0046 -0.0058 131 ILE A C 2153 O O . ILE A 131 ? 0.1587 0.1834 0.1500 0.0009 0.0049 -0.0053 131 ILE A O 2154 C CB . ILE A 131 ? 0.1360 0.1612 0.1271 -0.0007 0.0040 -0.0040 131 ILE A CB 2155 C CG1 . ILE A 131 ? 0.1698 0.1962 0.1604 -0.0013 0.0037 -0.0037 131 ILE A CG1 2156 C CG2 . ILE A 131 ? 0.1367 0.1599 0.1290 -0.0008 0.0036 -0.0034 131 ILE A CG2 2157 C CD1 . ILE A 131 ? 0.1702 0.1975 0.1616 -0.0019 0.0033 -0.0021 131 ILE A CD1 2169 N N . VAL A 132 ? 0.1502 0.1709 0.1412 0.0008 0.0045 -0.0065 132 VAL A N 2170 C CA . VAL A 132 ? 0.1380 0.1576 0.1295 0.0015 0.0048 -0.0068 132 VAL A CA 2171 C C . VAL A 132 ? 0.1525 0.1701 0.1450 0.0013 0.0044 -0.0063 132 VAL A C 2172 O O . VAL A 132 ? 0.1599 0.1759 0.1523 0.0009 0.0041 -0.0064 132 VAL A O 2173 C CB . VAL A 132 ? 0.1730 0.1913 0.1636 0.0021 0.0051 -0.0084 132 VAL A CB 2174 C CG1 . VAL A 132 ? 0.1977 0.2147 0.1888 0.0028 0.0053 -0.0087 132 VAL A CG1 2175 C CG2 . VAL A 132 ? 0.1986 0.2188 0.1881 0.0023 0.0055 -0.0091 132 VAL A CG2 2185 N N . LEU A 133 ? 0.1319 0.1497 0.1253 0.0016 0.0045 -0.0056 133 LEU A N 2186 C CA A LEU A 133 ? 0.1316 0.1474 0.1258 0.0016 0.0042 -0.0053 133 LEU A CA 2187 C CA B LEU A 133 ? 0.1377 0.1536 0.1320 0.0016 0.0042 -0.0053 133 LEU A CA 2188 C C . LEU A 133 ? 0.1444 0.1592 0.1386 0.0024 0.0046 -0.0062 133 LEU A C 2189 O O . LEU A 133 ? 0.1638 0.1800 0.1579 0.0030 0.0050 -0.0064 133 LEU A O 2190 C CB A LEU A 133 ? 0.1495 0.1664 0.1450 0.0014 0.0040 -0.0039 133 LEU A CB 2191 C CB B LEU A 133 ? 0.1428 0.1594 0.1382 0.0013 0.0040 -0.0040 133 LEU A CB 2192 C CG A LEU A 133 ? 0.1305 0.1485 0.1264 0.0006 0.0037 -0.0029 133 LEU A CG 2193 C CG B LEU A 133 ? 0.1422 0.1597 0.1380 0.0006 0.0036 -0.0029 133 LEU A CG 2194 C CD1 A LEU A 133 ? 0.1423 0.1607 0.1393 0.0004 0.0035 -0.0016 133 LEU A CD1 2195 C CD1 B LEU A 133 ? 0.1040 0.1236 0.0990 0.0004 0.0038 -0.0030 133 LEU A CD1 2196 C CD2 A LEU A 133 ? 0.1546 0.1709 0.1503 0.0001 0.0033 -0.0029 133 LEU A CD2 2197 C CD2 B LEU A 133 ? 0.1307 0.1488 0.1277 0.0003 0.0034 -0.0016 133 LEU A CD2 2220 N N . GLY A 134 ? 0.1508 0.1633 0.1451 0.0026 0.0044 -0.0065 134 GLY A N 2221 C CA . GLY A 134 ? 0.1430 0.1544 0.1374 0.0034 0.0047 -0.0071 134 GLY A CA 2222 C C . GLY A 134 ? 0.1681 0.1780 0.1616 0.0037 0.0048 -0.0085 134 GLY A C 2223 O O . GLY A 134 ? 0.1877 0.1960 0.1812 0.0042 0.0049 -0.0089 134 GLY A O 2227 N N . GLN A 135 ? 0.1758 0.1863 0.1684 0.0035 0.0049 -0.0090 135 GLN A N 2228 C CA . GLN A 135 ? 0.1623 0.1714 0.1538 0.0037 0.0051 -0.0104 135 GLN A CA 2229 C C . GLN A 135 ? 0.1805 0.1895 0.1714 0.0030 0.0048 -0.0106 135 GLN A C 2230 O O . GLN A 135 ? 0.2079 0.2185 0.1988 0.0024 0.0046 -0.0098 135 GLN A O 2231 C CB . GLN A 135 ? 0.1811 0.1913 0.1720 0.0044 0.0056 -0.0112 135 GLN A CB 2232 C CG . GLN A 135 ? 0.1902 0.2008 0.1818 0.0052 0.0060 -0.0110 135 GLN A CG 2233 C CD . GLN A 135 ? 0.1820 0.1902 0.1738 0.0058 0.0060 -0.0115 135 GLN A CD 2234 O OE1 . GLN A 135 ? 0.2170 0.2232 0.2082 0.0057 0.0059 -0.0123 135 GLN A OE1 2235 N NE2 . GLN A 135 ? 0.1717 0.1801 0.1643 0.0063 0.0061 -0.0110 135 GLN A NE2 2244 N N . GLU A 136 ? 0.2044 0.2116 0.1946 0.0030 0.0048 -0.0116 136 GLU A N 2245 C CA . GLU A 136 ? 0.1619 0.1690 0.1514 0.0024 0.0046 -0.0120 136 GLU A CA 2246 C C . GLU A 136 ? 0.2031 0.2110 0.1914 0.0026 0.0050 -0.0132 136 GLU A C 2247 O O . GLU A 136 ? 0.2088 0.2158 0.1968 0.0033 0.0053 -0.0142 136 GLU A O 2248 C CB . GLU A 136 ? 0.2124 0.2169 0.2019 0.0022 0.0044 -0.0125 136 GLU A CB 2249 C CG . GLU A 136 ? 0.1976 0.2020 0.1869 0.0013 0.0040 -0.0123 136 GLU A CG 2250 C CD . GLU A 136 ? 0.2366 0.2413 0.2247 0.0011 0.0040 -0.0134 136 GLU A CD 2251 O OE1 . GLU A 136 ? 0.2487 0.2521 0.2362 0.0015 0.0043 -0.0146 136 GLU A OE1 2252 O OE2 . GLU A 136 ? 0.2270 0.2331 0.2149 0.0005 0.0038 -0.0132 136 GLU A OE2 2259 N N . GLN A 137 ? 0.2086 0.2184 0.1965 0.0022 0.0049 -0.0130 137 GLN A N 2260 C CA . GLN A 137 ? 0.2171 0.2279 0.2038 0.0024 0.0052 -0.0141 137 GLN A CA 2261 C C . GLN A 137 ? 0.2158 0.2250 0.2016 0.0021 0.0051 -0.0153 137 GLN A C 2262 O O . GLN A 137 ? 0.2354 0.2440 0.2214 0.0013 0.0046 -0.0150 137 GLN A O 2263 C CB . GLN A 137 ? 0.2371 0.2507 0.2236 0.0019 0.0052 -0.0135 137 GLN A CB 2264 C CG . GLN A 137 ? 0.2563 0.2718 0.2435 0.0022 0.0053 -0.0123 137 GLN A CG 2265 C CD . GLN A 137 ? 0.3008 0.3189 0.2879 0.0016 0.0052 -0.0116 137 GLN A CD 2266 O OE1 . GLN A 137 ? 0.2655 0.2853 0.2517 0.0018 0.0055 -0.0121 137 GLN A OE1 2267 N NE2 . GLN A 137 ? 0.2137 0.2319 0.2015 0.0010 0.0047 -0.0104 137 GLN A NE2 2276 N N . ASP A 138 ? 0.2521 0.2608 0.2371 0.0026 0.0054 -0.0166 138 ASP A N 2277 C CA . ASP A 138 ? 0.3010 0.3085 0.2850 0.0022 0.0053 -0.0179 138 ASP A CA 2278 C C . ASP A 138 ? 0.3525 0.3620 0.3354 0.0022 0.0055 -0.0187 138 ASP A C 2279 O O . ASP A 138 ? 0.3503 0.3594 0.3323 0.0018 0.0054 -0.0197 138 ASP A O 2280 C CB . ASP A 138 ? 0.2947 0.2994 0.2785 0.0026 0.0055 -0.0189 138 ASP A CB 2281 C CG . ASP A 138 ? 0.3210 0.3237 0.3057 0.0023 0.0051 -0.0183 138 ASP A CG 2282 O OD1 . ASP A 138 ? 0.2665 0.2698 0.2517 0.0016 0.0047 -0.0173 138 ASP A OD1 2283 O OD2 . ASP A 138 ? 0.3205 0.3210 0.3053 0.0028 0.0052 -0.0188 138 ASP A OD2 2288 N N . SER A 139 ? 0.3186 0.3303 0.3015 0.0026 0.0058 -0.0182 139 SER A N 2289 C CA . SER A 139 ? 0.3453 0.3593 0.3272 0.0026 0.0061 -0.0187 139 SER A CA 2290 C C . SER A 139 ? 0.4322 0.4490 0.4145 0.0023 0.0060 -0.0172 139 SER A C 2291 O O . SER A 139 ? 0.3564 0.3731 0.3399 0.0020 0.0057 -0.0159 139 SER A O 2292 C CB . SER A 139 ? 0.3466 0.3608 0.3280 0.0036 0.0067 -0.0198 139 SER A CB 2293 O OG . SER A 139 ? 0.3529 0.3683 0.3352 0.0042 0.0070 -0.0188 139 SER A OG 2299 N N . TYR A 140 ? 0.3107 0.3299 0.2922 0.0023 0.0062 -0.0175 140 TYR A N 2300 C CA . TYR A 140 ? 0.2876 0.3095 0.2695 0.0020 0.0062 -0.0160 140 TYR A CA 2301 C C . TYR A 140 ? 0.4172 0.4400 0.3999 0.0027 0.0066 -0.0154 140 TYR A C 2302 O O . TYR A 140 ? 0.4001 0.4247 0.3823 0.0033 0.0071 -0.0157 140 TYR A O 2303 C CB . TYR A 140 ? 0.2991 0.3234 0.2797 0.0017 0.0062 -0.0165 140 TYR A CB 2304 C CG . TYR A 140 ? 0.3293 0.3565 0.3103 0.0013 0.0061 -0.0149 140 TYR A CG 2305 C CD1 . TYR A 140 ? 0.2905 0.3176 0.2725 0.0005 0.0056 -0.0135 140 TYR A CD1 2306 C CD2 . TYR A 140 ? 0.2891 0.3190 0.2695 0.0016 0.0065 -0.0149 140 TYR A CD2 2307 C CE1 . TYR A 140 ? 0.2814 0.3109 0.2637 0.0002 0.0054 -0.0121 140 TYR A CE1 2308 C CE2 . TYR A 140 ? 0.4115 0.4440 0.3922 0.0011 0.0064 -0.0135 140 TYR A CE2 2309 C CZ . TYR A 140 ? 0.3719 0.4042 0.3536 0.0004 0.0059 -0.0120 140 TYR A CZ 2310 O OH . TYR A 140 ? 0.3859 0.4207 0.3679 0.0000 0.0058 -0.0105 140 TYR A OH 2320 N N . GLY A 141 ? 0.3284 0.3499 0.3124 0.0028 0.0064 -0.0145 141 GLY A N 2321 C CA . GLY A 141 ? 0.3349 0.3572 0.3199 0.0034 0.0067 -0.0137 141 GLY A CA 2322 C C . GLY A 141 ? 0.3528 0.3730 0.3382 0.0042 0.0070 -0.0144 141 GLY A C 2323 O O . GLY A 141 ? 0.4387 0.4594 0.4250 0.0047 0.0072 -0.0137 141 GLY A O 2327 N N . GLY A 142 ? 0.3310 0.3487 0.3158 0.0043 0.0069 -0.0156 142 GLY A N 2328 C CA . GLY A 142 ? 0.3172 0.3330 0.3022 0.0051 0.0072 -0.0163 142 GLY A CA 2329 C C . GLY A 142 ? 0.3490 0.3618 0.3339 0.0049 0.0070 -0.0171 142 GLY A C 2330 O O . GLY A 142 ? 0.3006 0.3126 0.2856 0.0041 0.0065 -0.0167 142 GLY A O 2334 N N . LYS A 143 ? 0.3425 0.3537 0.3269 0.0057 0.0073 -0.0183 143 LYS A N 2335 C CA . LYS A 143 ? 0.3404 0.3486 0.3247 0.0056 0.0071 -0.0191 143 LYS A CA 2336 C C . LYS A 143 ? 0.3450 0.3518 0.3304 0.0053 0.0067 -0.0180 143 LYS A C 2337 O O . LYS A 143 ? 0.3099 0.3154 0.2953 0.0046 0.0063 -0.0179 143 LYS A O 2338 C CB . LYS A 143 ? 0.4193 0.4270 0.4026 0.0049 0.0068 -0.0199 143 LYS A CB 2339 C CG . LYS A 143 ? 0.5842 0.5921 0.5662 0.0053 0.0072 -0.0215 143 LYS A CG 2340 C CD . LYS A 143 ? 0.6784 0.6834 0.6600 0.0056 0.0073 -0.0228 143 LYS A CD 2341 C CE . LYS A 143 ? 0.7866 0.7917 0.7668 0.0058 0.0075 -0.0245 143 LYS A CE 2342 N NZ . LYS A 143 ? 0.8088 0.8145 0.7883 0.0047 0.0071 -0.0248 143 LYS A NZ 2356 N N . PHE A 144 ? 0.2829 0.2901 0.2693 0.0059 0.0068 -0.0171 144 PHE A N 2357 C CA . PHE A 144 ? 0.2541 0.2601 0.2416 0.0057 0.0065 -0.0161 144 PHE A CA 2358 C C . PHE A 144 ? 0.2870 0.2901 0.2745 0.0060 0.0065 -0.0167 144 PHE A C 2359 O O . PHE A 144 ? 0.3109 0.3129 0.2977 0.0065 0.0068 -0.0179 144 PHE A O 2360 C CB . PHE A 144 ? 0.2012 0.2088 0.1896 0.0061 0.0067 -0.0150 144 PHE A CB 2361 C CG . PHE A 144 ? 0.2252 0.2357 0.2137 0.0058 0.0067 -0.0144 144 PHE A CG 2362 C CD1 . PHE A 144 ? 0.2317 0.2431 0.2199 0.0049 0.0064 -0.0140 144 PHE A CD1 2363 C CD2 . PHE A 144 ? 0.2366 0.2490 0.2255 0.0064 0.0071 -0.0140 144 PHE A CD2 2364 C CE1 . PHE A 144 ? 0.2206 0.2347 0.2087 0.0046 0.0064 -0.0132 144 PHE A CE1 2365 C CE2 . PHE A 144 ? 0.2659 0.2811 0.2548 0.0061 0.0072 -0.0133 144 PHE A CE2 2366 C CZ . PHE A 144 ? 0.2470 0.2630 0.2356 0.0052 0.0068 -0.0129 144 PHE A CZ 2376 N N . ASP A 145 ? 0.2270 0.2289 0.2153 0.0057 0.0061 -0.0159 145 ASP A N 2377 C CA . ASP A 145 ? 0.2438 0.2430 0.2322 0.0059 0.0060 -0.0163 145 ASP A CA 2378 C C . ASP A 145 ? 0.2645 0.2634 0.2540 0.0060 0.0059 -0.0152 145 ASP A C 2379 O O . ASP A 145 ? 0.2293 0.2288 0.2193 0.0054 0.0055 -0.0142 145 ASP A O 2380 C CB . ASP A 145 ? 0.2572 0.2551 0.2452 0.0050 0.0056 -0.0165 145 ASP A CB 2381 C CG . ASP A 145 ? 0.2871 0.2822 0.2752 0.0050 0.0055 -0.0167 145 ASP A CG 2382 O OD1 . ASP A 145 ? 0.2797 0.2740 0.2685 0.0057 0.0056 -0.0165 145 ASP A OD1 2383 O OD2 . ASP A 145 ? 0.3267 0.3206 0.3145 0.0044 0.0053 -0.0171 145 ASP A OD2 2388 N N . ARG A 146 ? 0.2369 0.2351 0.2268 0.0069 0.0061 -0.0153 146 ARG A N 2389 C CA . ARG A 146 ? 0.2428 0.2409 0.2336 0.0071 0.0060 -0.0143 146 ARG A CA 2390 C C . ARG A 146 ? 0.2589 0.2555 0.2501 0.0064 0.0055 -0.0137 146 ARG A C 2391 O O . ARG A 146 ? 0.2208 0.2180 0.2128 0.0062 0.0053 -0.0127 146 ARG A O 2392 C CB . ARG A 146 ? 0.3241 0.3212 0.3151 0.0082 0.0063 -0.0147 146 ARG A CB 2393 C CG . ARG A 146 ? 0.4391 0.4350 0.4309 0.0083 0.0061 -0.0139 146 ARG A CG 2394 C CD . ARG A 146 ? 0.5062 0.5009 0.4980 0.0094 0.0064 -0.0144 146 ARG A CD 2395 N NE . ARG A 146 ? 0.5181 0.5147 0.5102 0.0101 0.0068 -0.0145 146 ARG A NE 2396 C CZ . ARG A 146 ? 0.5874 0.5849 0.5804 0.0106 0.0068 -0.0137 146 ARG A CZ 2397 N NH1 . ARG A 146 ? 0.4834 0.4801 0.4770 0.0105 0.0064 -0.0129 146 ARG A NH1 2398 N NH2 . ARG A 146 ? 0.5381 0.5374 0.5313 0.0113 0.0072 -0.0138 146 ARG A NH2 2412 N N . SER A 147 ? 0.2192 0.2140 0.2098 0.0061 0.0054 -0.0143 147 SER A N 2413 C CA . SER A 147 ? 0.2589 0.2522 0.2498 0.0055 0.0050 -0.0138 147 SER A CA 2414 C C . SER A 147 ? 0.2013 0.1958 0.1925 0.0046 0.0046 -0.0131 147 SER A C 2415 O O . SER A 147 ? 0.2228 0.2163 0.2143 0.0041 0.0043 -0.0126 147 SER A O 2416 C CB . SER A 147 ? 0.2725 0.2636 0.2629 0.0054 0.0050 -0.0147 147 SER A CB 2417 O OG . SER A 147 ? 0.2979 0.2892 0.2875 0.0048 0.0050 -0.0153 147 SER A OG 2423 N N . GLN A 148 ? 0.1925 0.1890 0.1835 0.0044 0.0047 -0.0131 148 GLN A N 2424 C CA . GLN A 148 ? 0.1554 0.1532 0.1466 0.0036 0.0044 -0.0123 148 GLN A CA 2425 C C . GLN A 148 ? 0.1840 0.1839 0.1759 0.0037 0.0044 -0.0113 148 GLN A C 2426 O O . GLN A 148 ? 0.1636 0.1648 0.1558 0.0031 0.0042 -0.0106 148 GLN A O 2427 C CB . GLN A 148 ? 0.1919 0.1905 0.1823 0.0031 0.0044 -0.0128 148 GLN A CB 2428 C CG . GLN A 148 ? 0.2535 0.2502 0.2432 0.0029 0.0043 -0.0138 148 GLN A CG 2429 C CD . GLN A 148 ? 0.2354 0.2330 0.2243 0.0024 0.0043 -0.0144 148 GLN A CD 2430 O OE1 . GLN A 148 ? 0.2544 0.2533 0.2428 0.0027 0.0046 -0.0150 148 GLN A OE1 2431 N NE2 . GLN A 148 ? 0.2825 0.2795 0.2713 0.0016 0.0039 -0.0143 148 GLN A NE2 2440 N N . SER A 149 ? 0.1563 0.1566 0.1485 0.0044 0.0047 -0.0113 149 SER A N 2441 C CA . SER A 149 ? 0.1523 0.1547 0.1452 0.0046 0.0047 -0.0105 149 SER A CA 2442 C C . SER A 149 ? 0.1641 0.1664 0.1579 0.0041 0.0043 -0.0094 149 SER A C 2443 O O . SER A 149 ? 0.1669 0.1674 0.1609 0.0041 0.0041 -0.0093 149 SER A O 2444 C CB . SER A 149 ? 0.1899 0.1926 0.1829 0.0055 0.0051 -0.0107 149 SER A CB 2445 O OG . SER A 149 ? 0.1874 0.1884 0.1808 0.0059 0.0051 -0.0107 149 SER A OG 2451 N N . PHE A 150 ? 0.1431 0.1472 0.1373 0.0038 0.0042 -0.0085 150 PHE A N 2452 C CA . PHE A 150 ? 0.1411 0.1453 0.1363 0.0034 0.0039 -0.0075 150 PHE A CA 2453 C C . PHE A 150 ? 0.1469 0.1516 0.1428 0.0040 0.0040 -0.0070 150 PHE A C 2454 O O . PHE A 150 ? 0.1668 0.1733 0.1628 0.0043 0.0043 -0.0070 150 PHE A O 2455 C CB . PHE A 150 ? 0.1184 0.1243 0.1139 0.0027 0.0037 -0.0067 150 PHE A CB 2456 C CG . PHE A 150 ? 0.1131 0.1190 0.1095 0.0024 0.0033 -0.0056 150 PHE A CG 2457 C CD1 . PHE A 150 ? 0.1187 0.1231 0.1153 0.0020 0.0029 -0.0054 150 PHE A CD1 2458 C CD2 . PHE A 150 ? 0.1093 0.1167 0.1065 0.0024 0.0033 -0.0048 150 PHE A CD2 2459 C CE1 . PHE A 150 ? 0.1352 0.1395 0.1327 0.0016 0.0026 -0.0045 150 PHE A CE1 2460 C CE2 . PHE A 150 ? 0.1270 0.1343 0.1252 0.0021 0.0030 -0.0039 150 PHE A CE2 2461 C CZ . PHE A 150 ? 0.1325 0.1382 0.1308 0.0017 0.0026 -0.0038 150 PHE A CZ 2471 N N . VAL A 151 ? 0.1195 0.1229 0.1159 0.0040 0.0038 -0.0068 151 VAL A N 2472 C CA . VAL A 151 ? 0.1186 0.1225 0.1158 0.0044 0.0038 -0.0063 151 VAL A CA 2473 C C . VAL A 151 ? 0.1288 0.1327 0.1268 0.0038 0.0033 -0.0053 151 VAL A C 2474 O O . VAL A 151 ? 0.1279 0.1303 0.1258 0.0035 0.0030 -0.0053 151 VAL A O 2475 C CB . VAL A 151 ? 0.1322 0.1344 0.1293 0.0051 0.0039 -0.0068 151 VAL A CB 2476 C CG1 . VAL A 151 ? 0.1556 0.1585 0.1535 0.0056 0.0038 -0.0063 151 VAL A CG1 2477 C CG2 . VAL A 151 ? 0.1459 0.1478 0.1422 0.0057 0.0043 -0.0079 151 VAL A CG2 2487 N N . GLY A 152 ? 0.1197 0.1253 0.1185 0.0037 0.0033 -0.0046 152 GLY A N 2488 C CA . GLY A 152 ? 0.1339 0.1395 0.1334 0.0031 0.0028 -0.0037 152 GLY A CA 2489 C C . GLY A 152 ? 0.1029 0.1107 0.1029 0.0027 0.0028 -0.0029 152 GLY A C 2490 O O . GLY A 152 ? 0.1150 0.1244 0.1149 0.0030 0.0031 -0.0030 152 GLY A O 2494 N N . GLU A 153 ? 0.0946 0.1023 0.0950 0.0020 0.0024 -0.0022 153 GLU A N 2495 C CA . GLU A 153 ? 0.1037 0.1133 0.1048 0.0015 0.0024 -0.0013 153 GLU A CA 2496 C C . GLU A 153 ? 0.1065 0.1162 0.1073 0.0009 0.0022 -0.0010 153 GLU A C 2497 O O . GLU A 153 ? 0.1081 0.1162 0.1088 0.0007 0.0020 -0.0012 153 GLU A O 2498 C CB . GLU A 153 ? 0.0958 0.1052 0.0979 0.0013 0.0020 -0.0005 153 GLU A CB 2499 C CG . GLU A 153 ? 0.1102 0.1195 0.1126 0.0018 0.0021 -0.0008 153 GLU A CG 2500 C CD . GLU A 153 ? 0.1288 0.1381 0.1322 0.0015 0.0017 0.0000 153 GLU A CD 2501 O OE1 . GLU A 153 ? 0.1228 0.1332 0.1269 0.0010 0.0015 0.0008 153 GLU A OE1 2502 O OE2 . GLU A 153 ? 0.1335 0.1418 0.1371 0.0018 0.0016 -0.0003 153 GLU A OE2 2509 N N . ILE A 154 ? 0.1086 0.1202 0.1094 0.0007 0.0023 -0.0006 154 ILE A N 2510 C CA . ILE A 154 ? 0.0901 0.1020 0.0907 0.0001 0.0022 -0.0001 154 ILE A CA 2511 C C . ILE A 154 ? 0.1128 0.1266 0.1142 -0.0003 0.0021 0.0010 154 ILE A C 2512 O O . ILE A 154 ? 0.1232 0.1386 0.1248 -0.0001 0.0023 0.0012 154 ILE A O 2513 C CB . ILE A 154 ? 0.1288 0.1413 0.1284 0.0003 0.0025 -0.0009 154 ILE A CB 2514 C CG1 . ILE A 154 ? 0.1770 0.1876 0.1759 0.0006 0.0025 -0.0019 154 ILE A CG1 2515 C CG2 . ILE A 154 ? 0.1613 0.1748 0.1607 -0.0003 0.0023 -0.0003 154 ILE A CG2 2516 C CD1 . ILE A 154 ? 0.2304 0.2414 0.2281 0.0008 0.0028 -0.0028 154 ILE A CD1 2528 N N . GLY A 155 ? 0.0963 0.1098 0.0982 -0.0009 0.0017 0.0017 155 GLY A N 2529 C CA . GLY A 155 ? 0.1187 0.1338 0.1214 -0.0014 0.0016 0.0029 155 GLY A CA 2530 C C . GLY A 155 ? 0.1053 0.1204 0.1080 -0.0019 0.0013 0.0035 155 GLY A C 2531 O O . GLY A 155 ? 0.1009 0.1148 0.1030 -0.0019 0.0012 0.0030 155 GLY A O 2535 N N . ASP A 156 ? 0.0962 0.1125 0.0996 -0.0024 0.0011 0.0046 156 ASP A N 2536 C CA . ASP A 156 ? 0.0946 0.1109 0.0983 -0.0029 0.0008 0.0054 156 ASP A CA 2537 C C . ASP A 156 ? 0.0947 0.1112 0.0973 -0.0029 0.0009 0.0049 156 ASP A C 2538 O O . ASP A 156 ? 0.1002 0.1156 0.1028 -0.0030 0.0006 0.0049 156 ASP A O 2539 C CB . ASP A 156 ? 0.0948 0.1091 0.0992 -0.0031 0.0004 0.0056 156 ASP A CB 2540 C CG . ASP A 156 ? 0.1780 0.1922 0.1835 -0.0033 0.0002 0.0063 156 ASP A CG 2541 O OD1 . ASP A 156 ? 0.1985 0.2145 0.2044 -0.0034 0.0003 0.0069 156 ASP A OD1 2542 O OD2 . ASP A 156 ? 0.1952 0.2077 0.2011 -0.0033 -0.0001 0.0061 156 ASP A OD2 2547 N N . LEU A 157 ? 0.0760 0.0941 0.0779 -0.0026 0.0013 0.0045 157 LEU A N 2548 C CA . LEU A 157 ? 0.0721 0.0905 0.0730 -0.0026 0.0014 0.0039 157 LEU A CA 2549 C C . LEU A 157 ? 0.1093 0.1296 0.1102 -0.0031 0.0013 0.0049 157 LEU A C 2550 O O . LEU A 157 ? 0.1080 0.1301 0.1091 -0.0032 0.0014 0.0056 157 LEU A O 2551 C CB . LEU A 157 ? 0.1064 0.1252 0.1062 -0.0021 0.0018 0.0028 157 LEU A CB 2552 C CG . LEU A 157 ? 0.1025 0.1213 0.1012 -0.0021 0.0019 0.0019 157 LEU A CG 2553 C CD1 . LEU A 157 ? 0.1286 0.1464 0.1264 -0.0015 0.0022 0.0005 157 LEU A CD1 2554 C CD2 . LEU A 157 ? 0.1324 0.1536 0.1305 -0.0023 0.0020 0.0024 157 LEU A CD2 2566 N N . TYR A 158 ? 0.0787 0.0985 0.0792 -0.0033 0.0010 0.0050 158 TYR A N 2567 C CA . TYR A 158 ? 0.0756 0.0970 0.0761 -0.0037 0.0008 0.0059 158 TYR A CA 2568 C C . TYR A 158 ? 0.0984 0.1198 0.0980 -0.0038 0.0008 0.0052 158 TYR A C 2569 O O . TYR A 158 ? 0.1167 0.1362 0.1160 -0.0036 0.0007 0.0044 158 TYR A O 2570 C CB . TYR A 158 ? 0.1028 0.1236 0.1045 -0.0041 0.0004 0.0071 158 TYR A CB 2571 C CG . TYR A 158 ? 0.1019 0.1227 0.1047 -0.0042 0.0004 0.0079 158 TYR A CG 2572 C CD1 . TYR A 158 ? 0.0968 0.1157 0.1001 -0.0040 0.0003 0.0075 158 TYR A CD1 2573 C CD2 . TYR A 158 ? 0.1306 0.1533 0.1338 -0.0045 0.0004 0.0090 158 TYR A CD2 2574 C CE1 . TYR A 158 ? 0.1005 0.1195 0.1048 -0.0042 0.0003 0.0081 158 TYR A CE1 2575 C CE2 . TYR A 158 ? 0.1192 0.1420 0.1234 -0.0047 0.0004 0.0097 158 TYR A CE2 2576 C CZ . TYR A 158 ? 0.1073 0.1282 0.1120 -0.0045 0.0003 0.0092 158 TYR A CZ 2577 O OH . TYR A 158 ? 0.1468 0.1679 0.1525 -0.0047 0.0003 0.0099 158 TYR A OH 2587 N N . MET A 159 ? 0.0904 0.1138 0.0894 -0.0039 0.0009 0.0055 159 MET A N 2588 C CA . MET A 159 ? 0.0961 0.1197 0.0941 -0.0041 0.0008 0.0049 159 MET A CA 2589 C C . MET A 159 ? 0.1050 0.1305 0.1031 -0.0045 0.0005 0.0061 159 MET A C 2590 O O . MET A 159 ? 0.1044 0.1318 0.1025 -0.0046 0.0007 0.0068 159 MET A O 2591 C CB . MET A 159 ? 0.1037 0.1278 0.1005 -0.0037 0.0012 0.0036 159 MET A CB 2592 C CG . MET A 159 ? 0.1222 0.1460 0.1180 -0.0039 0.0010 0.0028 159 MET A CG 2593 S SD . MET A 159 ? 0.1406 0.1646 0.1349 -0.0035 0.0015 0.0011 159 MET A SD 2594 C CE . MET A 159 ? 0.1555 0.1791 0.1489 -0.0038 0.0012 0.0003 159 MET A CE 2604 N N . TRP A 160 ? 0.0943 0.1193 0.0926 -0.0048 0.0002 0.0064 160 TRP A N 2605 C CA . TRP A 160 ? 0.0832 0.1096 0.0816 -0.0051 -0.0001 0.0076 160 TRP A CA 2606 C C . TRP A 160 ? 0.1096 0.1368 0.1070 -0.0053 -0.0002 0.0069 160 TRP A C 2607 O O . TRP A 160 ? 0.1152 0.1409 0.1121 -0.0051 -0.0003 0.0058 160 TRP A O 2608 C CB . TRP A 160 ? 0.1062 0.1313 0.1058 -0.0053 -0.0006 0.0085 160 TRP A CB 2609 C CG . TRP A 160 ? 0.1191 0.1433 0.1199 -0.0053 -0.0006 0.0093 160 TRP A CG 2610 C CD1 . TRP A 160 ? 0.1115 0.1367 0.1133 -0.0056 -0.0007 0.0108 160 TRP A CD1 2611 C CD2 . TRP A 160 ? 0.0881 0.1102 0.0894 -0.0050 -0.0005 0.0087 160 TRP A CD2 2612 N NE1 . TRP A 160 ? 0.1040 0.1278 0.1067 -0.0055 -0.0008 0.0110 160 TRP A NE1 2613 C CE2 . TRP A 160 ? 0.1154 0.1374 0.1179 -0.0052 -0.0007 0.0098 160 TRP A CE2 2614 C CE3 . TRP A 160 ? 0.0964 0.1168 0.0973 -0.0047 -0.0004 0.0073 160 TRP A CE3 2615 C CZ2 . TRP A 160 ? 0.0955 0.1157 0.0987 -0.0050 -0.0007 0.0096 160 TRP A CZ2 2616 C CZ3 . TRP A 160 ? 0.1052 0.1238 0.1068 -0.0045 -0.0004 0.0072 160 TRP A CZ3 2617 C CH2 . TRP A 160 ? 0.1110 0.1296 0.1137 -0.0047 -0.0005 0.0083 160 TRP A CH2 2628 N N . ASP A 161 ? 0.1264 0.1558 0.1234 -0.0055 -0.0003 0.0077 161 ASP A N 2629 C CA . ASP A 161 ? 0.1289 0.1592 0.1250 -0.0057 -0.0005 0.0071 161 ASP A CA 2630 C C . ASP A 161 ? 0.1261 0.1558 0.1227 -0.0060 -0.0010 0.0078 161 ASP A C 2631 O O . ASP A 161 ? 0.1489 0.1800 0.1450 -0.0062 -0.0012 0.0080 161 ASP A O 2632 C CB . ASP A 161 ? 0.1299 0.1630 0.1251 -0.0059 -0.0004 0.0075 161 ASP A CB 2633 C CG . ASP A 161 ? 0.1620 0.1966 0.1580 -0.0062 -0.0006 0.0094 161 ASP A CG 2634 O OD1 . ASP A 161 ? 0.1636 0.1972 0.1608 -0.0063 -0.0009 0.0104 161 ASP A OD1 2635 O OD2 . ASP A 161 ? 0.2617 0.2987 0.2569 -0.0064 -0.0006 0.0098 161 ASP A OD2 2640 N N . SER A 162 ? 0.1111 0.1389 0.1089 -0.0059 -0.0012 0.0081 162 SER A N 2641 C CA . SER A 162 ? 0.1105 0.1376 0.1090 -0.0060 -0.0016 0.0087 162 SER A CA 2642 C C . SER A 162 ? 0.1188 0.1433 0.1178 -0.0058 -0.0016 0.0079 162 SER A C 2643 O O . SER A 162 ? 0.1270 0.1503 0.1259 -0.0056 -0.0013 0.0072 162 SER A O 2644 C CB . SER A 162 ? 0.1447 0.1725 0.1443 -0.0062 -0.0019 0.0105 162 SER A CB 2645 O OG . SER A 162 ? 0.1601 0.1867 0.1606 -0.0061 -0.0018 0.0109 162 SER A OG 2651 N N . VAL A 163 ? 0.1276 0.1513 0.1270 -0.0059 -0.0020 0.0081 163 VAL A N 2652 C CA . VAL A 163 ? 0.1117 0.1330 0.1117 -0.0057 -0.0020 0.0076 163 VAL A CA 2653 C C . VAL A 163 ? 0.1298 0.1502 0.1311 -0.0056 -0.0022 0.0087 163 VAL A C 2654 O O . VAL A 163 ? 0.1437 0.1646 0.1457 -0.0057 -0.0025 0.0098 163 VAL A O 2655 C CB . VAL A 163 ? 0.1078 0.1287 0.1076 -0.0058 -0.0023 0.0072 163 VAL A CB 2656 C CG1 . VAL A 163 ? 0.1455 0.1641 0.1460 -0.0056 -0.0023 0.0067 163 VAL A CG1 2657 C CG2 . VAL A 163 ? 0.1703 0.1919 0.1688 -0.0059 -0.0021 0.0059 163 VAL A CG2 2667 N N . LEU A 164 ? 0.1291 0.1481 0.1308 -0.0054 -0.0019 0.0084 164 LEU A N 2668 C CA . LEU A 164 ? 0.1306 0.1486 0.1335 -0.0053 -0.0021 0.0094 164 LEU A CA 2669 C C . LEU A 164 ? 0.1024 0.1189 0.1061 -0.0052 -0.0024 0.0094 164 LEU A C 2670 O O . LEU A 164 ? 0.1316 0.1468 0.1349 -0.0051 -0.0023 0.0083 164 LEU A O 2671 C CB . LEU A 164 ? 0.1255 0.1426 0.1286 -0.0052 -0.0018 0.0090 164 LEU A CB 2672 C CG . LEU A 164 ? 0.1786 0.1971 0.1813 -0.0052 -0.0016 0.0091 164 LEU A CG 2673 C CD1 . LEU A 164 ? 0.1491 0.1664 0.1523 -0.0050 -0.0014 0.0089 164 LEU A CD1 2674 C CD2 . LEU A 164 ? 0.1924 0.2128 0.1955 -0.0055 -0.0017 0.0105 164 LEU A CD2 2686 N N . PRO A 165 ? 0.1416 0.1580 0.1464 -0.0053 -0.0027 0.0106 165 PRO A N 2687 C CA . PRO A 165 ? 0.1476 0.1623 0.1531 -0.0051 -0.0028 0.0106 165 PRO A CA 2688 C C . PRO A 165 ? 0.1231 0.1358 0.1291 -0.0049 -0.0027 0.0101 165 PRO A C 2689 O O . PRO A 165 ? 0.1177 0.1304 0.1235 -0.0049 -0.0025 0.0101 165 PRO A O 2690 C CB . PRO A 165 ? 0.1534 0.1688 0.1600 -0.0052 -0.0032 0.0122 165 PRO A CB 2691 C CG . PRO A 165 ? 0.1616 0.1782 0.1682 -0.0054 -0.0031 0.0129 165 PRO A CG 2692 C CD . PRO A 165 ? 0.1653 0.1831 0.1706 -0.0055 -0.0028 0.0120 165 PRO A CD 2700 N N . PRO A 166 ? 0.1279 0.1390 0.1342 -0.0047 -0.0028 0.0098 166 PRO A N 2701 C CA . PRO A 166 ? 0.1228 0.1320 0.1294 -0.0044 -0.0027 0.0092 166 PRO A CA 2702 C C . PRO A 166 ? 0.1218 0.1308 0.1292 -0.0045 -0.0027 0.0099 166 PRO A C 2703 O O . PRO A 166 ? 0.1364 0.1446 0.1436 -0.0044 -0.0026 0.0094 166 PRO A O 2704 C CB . PRO A 166 ? 0.1315 0.1395 0.1387 -0.0042 -0.0028 0.0091 166 PRO A CB 2705 C CG . PRO A 166 ? 0.1309 0.1399 0.1376 -0.0043 -0.0029 0.0090 166 PRO A CG 2706 C CD . PRO A 166 ? 0.1367 0.1478 0.1432 -0.0046 -0.0030 0.0098 166 PRO A CD 2714 N N . GLU A 167 ? 0.1172 0.1267 0.1254 -0.0046 -0.0030 0.0112 167 GLU A N 2715 C CA . GLU A 167 ? 0.1464 0.1555 0.1554 -0.0048 -0.0031 0.0119 167 GLU A CA 2716 C C . GLU A 167 ? 0.1268 0.1370 0.1353 -0.0049 -0.0028 0.0118 167 GLU A C 2717 O O . GLU A 167 ? 0.1445 0.1541 0.1534 -0.0050 -0.0028 0.0118 167 GLU A O 2718 C CB . GLU A 167 ? 0.2186 0.2281 0.2286 -0.0049 -0.0034 0.0133 167 GLU A CB 2719 C CG . GLU A 167 ? 0.2631 0.2747 0.2728 -0.0051 -0.0035 0.0141 167 GLU A CG 2720 C CD . GLU A 167 ? 0.3731 0.3849 0.3827 -0.0049 -0.0036 0.0140 167 GLU A CD 2721 O OE1 . GLU A 167 ? 0.2008 0.2117 0.2101 -0.0047 -0.0035 0.0129 167 GLU A OE1 2722 O OE2 . GLU A 167 ? 0.4059 0.4189 0.4159 -0.0050 -0.0038 0.0151 167 GLU A OE2 2729 N N . ASN A 168 ? 0.1239 0.1360 0.1316 -0.0051 -0.0027 0.0117 168 ASN A N 2730 C CA . ASN A 168 ? 0.1053 0.1186 0.1125 -0.0052 -0.0024 0.0117 168 ASN A CA 2731 C C . ASN A 168 ? 0.1209 0.1334 0.1273 -0.0050 -0.0021 0.0103 168 ASN A C 2732 O O . ASN A 168 ? 0.1146 0.1273 0.1209 -0.0050 -0.0019 0.0102 168 ASN A O 2733 C CB . ASN A 168 ? 0.1243 0.1398 0.1307 -0.0054 -0.0023 0.0121 168 ASN A CB 2734 C CG . ASN A 168 ? 0.1908 0.2075 0.1980 -0.0056 -0.0026 0.0135 168 ASN A CG 2735 O OD1 . ASN A 168 ? 0.2213 0.2396 0.2278 -0.0058 -0.0027 0.0138 168 ASN A OD1 2736 N ND2 . ASN A 168 ? 0.2001 0.2159 0.2084 -0.0057 -0.0029 0.0145 168 ASN A ND2 2743 N N . ILE A 169 ? 0.1065 0.1179 0.1123 -0.0047 -0.0021 0.0093 169 ILE A N 2744 C CA . ILE A 169 ? 0.1230 0.1333 0.1283 -0.0045 -0.0018 0.0081 169 ILE A CA 2745 C C . ILE A 169 ? 0.0975 0.1063 0.1036 -0.0044 -0.0019 0.0081 169 ILE A C 2746 O O . ILE A 169 ? 0.1210 0.1296 0.1268 -0.0042 -0.0017 0.0076 169 ILE A O 2747 C CB . ILE A 169 ? 0.1308 0.1403 0.1354 -0.0043 -0.0018 0.0071 169 ILE A CB 2748 C CG1 . ILE A 169 ? 0.1559 0.1671 0.1596 -0.0045 -0.0017 0.0070 169 ILE A CG1 2749 C CG2 . ILE A 169 ? 0.1400 0.1481 0.1441 -0.0040 -0.0015 0.0060 169 ILE A CG2 2750 C CD1 . ILE A 169 ? 0.2360 0.2468 0.2393 -0.0044 -0.0018 0.0063 169 ILE A CD1 2762 N N . LEU A 170 ? 0.1205 0.1282 0.1274 -0.0044 -0.0021 0.0086 170 LEU A N 2763 C CA . LEU A 170 ? 0.1363 0.1424 0.1438 -0.0043 -0.0022 0.0086 170 LEU A CA 2764 C C . LEU A 170 ? 0.1301 0.1370 0.1382 -0.0045 -0.0023 0.0093 170 LEU A C 2765 O O . LEU A 170 ? 0.1473 0.1535 0.1555 -0.0045 -0.0022 0.0089 170 LEU A O 2766 C CB . LEU A 170 ? 0.1666 0.1715 0.1750 -0.0042 -0.0025 0.0089 170 LEU A CB 2767 C CG . LEU A 170 ? 0.2560 0.2599 0.2640 -0.0040 -0.0025 0.0081 170 LEU A CG 2768 C CD1 . LEU A 170 ? 0.2946 0.2971 0.3035 -0.0038 -0.0027 0.0085 170 LEU A CD1 2769 C CD2 . LEU A 170 ? 0.3895 0.3925 0.3968 -0.0037 -0.0022 0.0069 170 LEU A CD2 2781 N N . SER A 171 ? 0.1332 0.1417 0.1416 -0.0048 -0.0023 0.0103 171 SER A N 2782 C CA . SER A 171 ? 0.1274 0.1368 0.1363 -0.0051 -0.0023 0.0111 171 SER A CA 2783 C C . SER A 171 ? 0.1334 0.1435 0.1415 -0.0050 -0.0020 0.0103 171 SER A C 2784 O O . SER A 171 ? 0.1526 0.1625 0.1612 -0.0051 -0.0020 0.0104 171 SER A O 2785 C CB . SER A 171 ? 0.1806 0.1918 0.1898 -0.0054 -0.0024 0.0123 171 SER A CB 2786 O OG . SER A 171 ? 0.2171 0.2275 0.2271 -0.0055 -0.0028 0.0132 171 SER A OG 2792 N N . ALA A 172 ? 0.1241 0.1351 0.1312 -0.0048 -0.0017 0.0096 172 ALA A N 2793 C CA . ALA A 172 ? 0.1177 0.1293 0.1241 -0.0046 -0.0014 0.0088 172 ALA A CA 2794 C C . ALA A 172 ? 0.1213 0.1311 0.1278 -0.0043 -0.0013 0.0079 172 ALA A C 2795 O O . ALA A 172 ? 0.1231 0.1331 0.1297 -0.0043 -0.0012 0.0078 172 ALA A O 2796 C CB . ALA A 172 ? 0.1162 0.1287 0.1214 -0.0045 -0.0011 0.0081 172 ALA A CB 2802 N N . TYR A 173 ? 0.1170 0.1252 0.1233 -0.0041 -0.0014 0.0074 173 TYR A N 2803 C CA . TYR A 173 ? 0.1211 0.1276 0.1274 -0.0039 -0.0014 0.0065 173 TYR A CA 2804 C C . TYR A 173 ? 0.1394 0.1454 0.1466 -0.0040 -0.0016 0.0071 173 TYR A C 2805 O O . TYR A 173 ? 0.1489 0.1545 0.1561 -0.0039 -0.0015 0.0066 173 TYR A O 2806 C CB . TYR A 173 ? 0.1252 0.1302 0.1313 -0.0037 -0.0015 0.0061 173 TYR A CB 2807 C CG . TYR A 173 ? 0.1180 0.1212 0.1241 -0.0035 -0.0016 0.0054 173 TYR A CG 2808 C CD1 . TYR A 173 ? 0.1521 0.1551 0.1577 -0.0032 -0.0013 0.0046 173 TYR A CD1 2809 C CD2 . TYR A 173 ? 0.1710 0.1728 0.1777 -0.0035 -0.0018 0.0055 173 TYR A CD2 2810 C CE1 . TYR A 173 ? 0.1663 0.1677 0.1719 -0.0030 -0.0014 0.0040 173 TYR A CE1 2811 C CE2 . TYR A 173 ? 0.1743 0.1745 0.1809 -0.0032 -0.0018 0.0048 173 TYR A CE2 2812 C CZ . TYR A 173 ? 0.1750 0.1752 0.1811 -0.0030 -0.0016 0.0041 173 TYR A CZ 2813 O OH . TYR A 173 ? 0.2453 0.2439 0.2513 -0.0027 -0.0016 0.0034 173 TYR A OH 2823 N N . GLN A 174 ? 0.1375 0.1436 0.1456 -0.0043 -0.0019 0.0081 174 GLN A N 2824 C CA . GLN A 174 ? 0.1531 0.1585 0.1622 -0.0046 -0.0022 0.0086 174 GLN A CA 2825 C C . GLN A 174 ? 0.1980 0.2048 0.2074 -0.0049 -0.0021 0.0092 174 GLN A C 2826 O O . GLN A 174 ? 0.2668 0.2732 0.2770 -0.0051 -0.0023 0.0096 174 GLN A O 2827 C CB . GLN A 174 ? 0.2119 0.2167 0.2218 -0.0048 -0.0025 0.0095 174 GLN A CB 2828 C CG . GLN A 174 ? 0.2523 0.2554 0.2622 -0.0045 -0.0026 0.0089 174 GLN A CG 2829 C CD . GLN A 174 ? 0.3749 0.3777 0.3854 -0.0047 -0.0029 0.0097 174 GLN A CD 2830 O OE1 . GLN A 174 ? 0.4029 0.4066 0.4141 -0.0050 -0.0030 0.0108 174 GLN A OE1 2831 N NE2 . GLN A 174 ? 0.4670 0.4686 0.4773 -0.0044 -0.0029 0.0092 174 GLN A NE2 2840 N N . GLY A 175 ? 0.1531 0.1617 0.1620 -0.0048 -0.0018 0.0093 175 GLY A N 2841 C CA . GLY A 175 ? 0.1999 0.2101 0.2090 -0.0050 -0.0017 0.0098 175 GLY A CA 2842 C C . GLY A 175 ? 0.1671 0.1789 0.1769 -0.0055 -0.0018 0.0111 175 GLY A C 2843 O O . GLY A 175 ? 0.2165 0.2296 0.2267 -0.0058 -0.0017 0.0117 175 GLY A O 2847 N N . THR A 176 ? 0.1435 0.1552 0.1533 -0.0056 -0.0019 0.0116 176 THR A N 2848 C CA . THR A 176 ? 0.1784 0.1918 0.1886 -0.0060 -0.0020 0.0129 176 THR A CA 2849 C C . THR A 176 ? 0.1634 0.1780 0.1726 -0.0059 -0.0018 0.0128 176 THR A C 2850 O O . THR A 176 ? 0.1738 0.1884 0.1833 -0.0060 -0.0020 0.0135 176 THR A O 2851 C CB . THR A 176 ? 0.2428 0.2551 0.2540 -0.0063 -0.0024 0.0139 176 THR A CB 2852 O OG1 . THR A 176 ? 0.2796 0.2903 0.2908 -0.0061 -0.0026 0.0134 176 THR A OG1 2853 C CG2 . THR A 176 ? 0.2589 0.2704 0.2712 -0.0066 -0.0026 0.0141 176 THR A CG2 2861 N N . PRO A 177 ? 0.1522 0.1678 0.1604 -0.0056 -0.0014 0.0120 177 PRO A N 2862 C CA . PRO A 177 ? 0.1406 0.1573 0.1478 -0.0055 -0.0013 0.0118 177 PRO A CA 2863 C C . PRO A 177 ? 0.1360 0.1547 0.1435 -0.0059 -0.0014 0.0130 177 PRO A C 2864 O O . PRO A 177 ? 0.1849 0.2047 0.1930 -0.0062 -0.0013 0.0139 177 PRO A O 2865 C CB . PRO A 177 ? 0.1481 0.1655 0.1543 -0.0052 -0.0009 0.0107 177 PRO A CB 2866 C CG . PRO A 177 ? 0.1878 0.2055 0.1947 -0.0052 -0.0008 0.0109 177 PRO A CG 2867 C CD . PRO A 177 ? 0.1792 0.1951 0.1871 -0.0054 -0.0011 0.0113 177 PRO A CD 2875 N N A LEU A 178 ? 0.1711 0.1903 0.1781 -0.0059 -0.0014 0.0132 178 LEU A N 2876 N N B LEU A 178 ? 0.1710 0.1902 0.1779 -0.0059 -0.0014 0.0132 178 LEU A N 2877 C CA A LEU A 178 ? 0.1675 0.1889 0.1744 -0.0062 -0.0015 0.0143 178 LEU A CA 2878 C CA B LEU A 178 ? 0.1650 0.1864 0.1719 -0.0062 -0.0014 0.0143 178 LEU A CA 2879 C C A LEU A 178 ? 0.1486 0.1720 0.1546 -0.0061 -0.0010 0.0139 178 LEU A C 2880 C C B LEU A 178 ? 0.1572 0.1806 0.1632 -0.0061 -0.0010 0.0139 178 LEU A C 2881 O O A LEU A 178 ? 0.1701 0.1932 0.1752 -0.0058 -0.0007 0.0126 178 LEU A O 2882 O O B LEU A 178 ? 0.1720 0.1950 0.1771 -0.0058 -0.0007 0.0126 178 LEU A O 2883 C CB A LEU A 178 ? 0.1893 0.2108 0.1958 -0.0062 -0.0017 0.0144 178 LEU A CB 2884 C CB B LEU A 178 ? 0.1797 0.2013 0.1861 -0.0062 -0.0016 0.0143 178 LEU A CB 2885 C CG A LEU A 178 ? 0.2879 0.3081 0.2954 -0.0063 -0.0021 0.0152 178 LEU A CG 2886 C CG B LEU A 178 ? 0.2801 0.3004 0.2876 -0.0063 -0.0021 0.0151 178 LEU A CG 2887 C CD1 A LEU A 178 ? 0.3109 0.3286 0.3190 -0.0061 -0.0022 0.0145 178 LEU A CD1 2888 C CD1 B LEU A 178 ? 0.3132 0.3310 0.3212 -0.0060 -0.0022 0.0144 178 LEU A CD1 2889 C CD2 A LEU A 178 ? 0.3599 0.3807 0.3668 -0.0062 -0.0023 0.0152 178 LEU A CD2 2890 C CD2 B LEU A 178 ? 0.3638 0.3847 0.3706 -0.0062 -0.0022 0.0150 178 LEU A CD2 2913 N N . PRO A 179 ? 0.1446 0.1701 0.1508 -0.0064 -0.0010 0.0150 179 PRO A N 2914 C CA . PRO A 179 ? 0.1121 0.1396 0.1172 -0.0063 -0.0005 0.0147 179 PRO A CA 2915 C C . PRO A 179 ? 0.1137 0.1416 0.1175 -0.0061 -0.0004 0.0136 179 PRO A C 2916 O O . PRO A 179 ? 0.1420 0.1696 0.1457 -0.0061 -0.0007 0.0138 179 PRO A O 2917 C CB . PRO A 179 ? 0.1850 0.2147 0.1907 -0.0068 -0.0006 0.0163 179 PRO A CB 2918 C CG . PRO A 179 ? 0.2618 0.2902 0.2688 -0.0071 -0.0010 0.0175 179 PRO A CG 2919 C CD . PRO A 179 ? 0.2300 0.2560 0.2372 -0.0069 -0.0013 0.0167 179 PRO A CD 2927 N N . ALA A 180 ? 0.1210 0.1497 0.1238 -0.0058 0.0000 0.0125 180 ALA A N 2928 C CA . ALA A 180 ? 0.1048 0.1334 0.1063 -0.0055 0.0002 0.0112 180 ALA A CA 2929 C C . ALA A 180 ? 0.1396 0.1706 0.1400 -0.0054 0.0005 0.0109 180 ALA A C 2930 O O . ALA A 180 ? 0.1482 0.1803 0.1486 -0.0053 0.0009 0.0108 180 ALA A O 2931 C CB . ALA A 180 ? 0.1274 0.1541 0.1288 -0.0051 0.0003 0.0098 180 ALA A CB 2937 N N . ASN A 181 ? 0.0990 0.1309 0.0985 -0.0055 0.0004 0.0108 181 ASN A N 2938 C CA . ASN A 181 ? 0.1125 0.1471 0.1111 -0.0056 0.0007 0.0108 181 ASN A CA 2939 C C . ASN A 181 ? 0.1482 0.1831 0.1454 -0.0052 0.0011 0.0092 181 ASN A C 2940 O O . ASN A 181 ? 0.1859 0.2229 0.1822 -0.0052 0.0014 0.0091 181 ASN A O 2941 C CB . ASN A 181 ? 0.1262 0.1622 0.1246 -0.0060 0.0004 0.0118 181 ASN A CB 2942 C CG . ASN A 181 ? 0.1683 0.2031 0.1663 -0.0060 0.0000 0.0112 181 ASN A CG 2943 O OD1 . ASN A 181 ? 0.1465 0.1795 0.1443 -0.0057 0.0001 0.0099 181 ASN A OD1 2944 N ND2 . ASN A 181 ? 0.1887 0.2245 0.1867 -0.0063 -0.0003 0.0121 181 ASN A ND2 2951 N N . ILE A 182 ? 0.1051 0.1378 0.1020 -0.0048 0.0011 0.0078 182 ILE A N 2952 C CA . ILE A 182 ? 0.0953 0.1281 0.0910 -0.0044 0.0016 0.0063 182 ILE A CA 2953 C C . ILE A 182 ? 0.1068 0.1391 0.1029 -0.0040 0.0020 0.0058 182 ILE A C 2954 O O . ILE A 182 ? 0.1293 0.1631 0.1248 -0.0037 0.0024 0.0054 182 ILE A O 2955 C CB . ILE A 182 ? 0.1111 0.1421 0.1061 -0.0044 0.0014 0.0050 182 ILE A CB 2956 C CG1 . ILE A 182 ? 0.1404 0.1724 0.1351 -0.0048 0.0010 0.0054 182 ILE A CG1 2957 C CG2 . ILE A 182 ? 0.1471 0.1781 0.1409 -0.0039 0.0018 0.0033 182 ILE A CG2 2958 C CD1 . ILE A 182 ? 0.1597 0.1900 0.1540 -0.0048 0.0008 0.0043 182 ILE A CD1 2970 N N . LEU A 183 ? 0.0950 0.1252 0.0920 -0.0039 0.0018 0.0059 183 LEU A N 2971 C CA . LEU A 183 ? 0.1014 0.1311 0.0990 -0.0036 0.0021 0.0056 183 LEU A CA 2972 C C . LEU A 183 ? 0.0951 0.1238 0.0941 -0.0038 0.0017 0.0068 183 LEU A C 2973 O O . LEU A 183 ? 0.0936 0.1209 0.0931 -0.0041 0.0013 0.0071 183 LEU A O 2974 C CB . LEU A 183 ? 0.1108 0.1385 0.1078 -0.0031 0.0022 0.0041 183 LEU A CB 2975 C CG . LEU A 183 ? 0.1295 0.1577 0.1251 -0.0027 0.0026 0.0027 183 LEU A CG 2976 C CD1 . LEU A 183 ? 0.1430 0.1689 0.1383 -0.0023 0.0026 0.0014 183 LEU A CD1 2977 C CD2 . LEU A 183 ? 0.1468 0.1771 0.1421 -0.0024 0.0031 0.0026 183 LEU A CD2 2989 N N . ASP A 184 ? 0.1008 0.1303 0.1006 -0.0038 0.0019 0.0075 184 ASP A N 2990 C CA . ASP A 184 ? 0.0958 0.1245 0.0970 -0.0042 0.0016 0.0086 184 ASP A CA 2991 C C . ASP A 184 ? 0.1198 0.1483 0.1215 -0.0039 0.0018 0.0084 184 ASP A C 2992 O O . ASP A 184 ? 0.1045 0.1349 0.1062 -0.0038 0.0022 0.0086 184 ASP A O 2993 C CB . ASP A 184 ? 0.1380 0.1686 0.1397 -0.0047 0.0014 0.0102 184 ASP A CB 2994 C CG . ASP A 184 ? 0.1919 0.2215 0.1951 -0.0051 0.0010 0.0114 184 ASP A CG 2995 O OD1 . ASP A 184 ? 0.1536 0.1821 0.1575 -0.0051 0.0010 0.0113 184 ASP A OD1 2996 O OD2 . ASP A 184 ? 0.1987 0.2285 0.2022 -0.0056 0.0007 0.0125 184 ASP A OD2 3001 N N . TRP A 185 ? 0.1032 0.1295 0.1055 -0.0038 0.0016 0.0081 185 TRP A N 3002 C CA . TRP A 185 ? 0.0931 0.1190 0.0960 -0.0035 0.0018 0.0078 185 TRP A CA 3003 C C . TRP A 185 ? 0.1117 0.1392 0.1156 -0.0039 0.0018 0.0091 185 TRP A C 3004 O O . TRP A 185 ? 0.1103 0.1384 0.1146 -0.0036 0.0020 0.0089 185 TRP A O 3005 C CB . TRP A 185 ? 0.0990 0.1223 0.1024 -0.0035 0.0014 0.0075 185 TRP A CB 3006 C CG . TRP A 185 ? 0.1143 0.1367 0.1179 -0.0030 0.0016 0.0067 185 TRP A CG 3007 C CD1 . TRP A 185 ? 0.1171 0.1389 0.1218 -0.0031 0.0014 0.0072 185 TRP A CD1 3008 C CD2 . TRP A 185 ? 0.1153 0.1374 0.1180 -0.0024 0.0020 0.0055 185 TRP A CD2 3009 N NE1 . TRP A 185 ? 0.1132 0.1344 0.1177 -0.0026 0.0016 0.0063 185 TRP A NE1 3010 C CE2 . TRP A 185 ? 0.0971 0.1185 0.1005 -0.0021 0.0020 0.0052 185 TRP A CE2 3011 C CE3 . TRP A 185 ? 0.1322 0.1547 0.1338 -0.0020 0.0023 0.0045 185 TRP A CE3 3012 C CZ2 . TRP A 185 ? 0.1237 0.1446 0.1265 -0.0014 0.0023 0.0041 185 TRP A CZ2 3013 C CZ3 . TRP A 185 ? 0.1154 0.1373 0.1164 -0.0014 0.0026 0.0033 185 TRP A CZ3 3014 C CH2 . TRP A 185 ? 0.1307 0.1517 0.1323 -0.0011 0.0026 0.0032 185 TRP A CH2 3025 N N . GLN A 186 ? 0.1060 0.1343 0.1105 -0.0044 0.0015 0.0104 186 GLN A N 3026 C CA . GLN A 186 ? 0.1170 0.1467 0.1225 -0.0049 0.0015 0.0117 186 GLN A CA 3027 C C . GLN A 186 ? 0.1494 0.1819 0.1545 -0.0050 0.0019 0.0122 186 GLN A C 3028 O O . GLN A 186 ? 0.1528 0.1869 0.1587 -0.0053 0.0019 0.0134 186 GLN A O 3029 C CB . GLN A 186 ? 0.1081 0.1369 0.1146 -0.0055 0.0010 0.0129 186 GLN A CB 3030 C CG . GLN A 186 ? 0.1245 0.1506 0.1316 -0.0054 0.0006 0.0124 186 GLN A CG 3031 C CD . GLN A 186 ? 0.1516 0.1766 0.1596 -0.0059 0.0001 0.0135 186 GLN A CD 3032 O OE1 . GLN A 186 ? 0.2048 0.2279 0.2126 -0.0059 -0.0002 0.0130 186 GLN A OE1 3033 N NE2 . GLN A 186 ? 0.1394 0.1654 0.1483 -0.0065 -0.0001 0.0148 186 GLN A NE2 3042 N N . ALA A 187 ? 0.1416 0.1749 0.1454 -0.0046 0.0022 0.0113 187 ALA A N 3043 C CA . ALA A 187 ? 0.1316 0.1677 0.1348 -0.0045 0.0026 0.0116 187 ALA A CA 3044 C C . ALA A 187 ? 0.1229 0.1590 0.1245 -0.0039 0.0030 0.0100 187 ALA A C 3045 O O . ALA A 187 ? 0.1388 0.1758 0.1395 -0.0040 0.0030 0.0098 187 ALA A O 3046 C CB . ALA A 187 ? 0.1538 0.1912 0.1571 -0.0051 0.0024 0.0129 187 ALA A CB 3052 N N . LEU A 188 ? 0.1258 0.1611 0.1274 -0.0034 0.0032 0.0089 188 LEU A N 3053 C CA . LEU A 188 ? 0.1030 0.1376 0.1033 -0.0027 0.0035 0.0073 188 LEU A CA 3054 C C . LEU A 188 ? 0.1324 0.1691 0.1321 -0.0022 0.0042 0.0068 188 LEU A C 3055 O O . LEU A 188 ? 0.1527 0.1905 0.1531 -0.0021 0.0044 0.0072 188 LEU A O 3056 C CB . LEU A 188 ? 0.1318 0.1637 0.1324 -0.0024 0.0034 0.0064 188 LEU A CB 3057 C CG . LEU A 188 ? 0.1470 0.1776 0.1465 -0.0018 0.0035 0.0048 188 LEU A CG 3058 C CD1 . LEU A 188 ? 0.1749 0.2044 0.1739 -0.0022 0.0032 0.0047 188 LEU A CD1 3059 C CD2 . LEU A 188 ? 0.1404 0.1688 0.1402 -0.0014 0.0035 0.0040 188 LEU A CD2 3071 N N . ASN A 189 ? 0.1356 0.1728 0.1339 -0.0019 0.0044 0.0058 189 ASN A N 3072 C CA . ASN A 189 ? 0.1432 0.1819 0.1406 -0.0013 0.0050 0.0049 189 ASN A CA 3073 C C . ASN A 189 ? 0.1676 0.2043 0.1643 -0.0007 0.0052 0.0032 189 ASN A C 3074 O O . ASN A 189 ? 0.1780 0.2133 0.1740 -0.0007 0.0049 0.0024 189 ASN A O 3075 C CB . ASN A 189 ? 0.1600 0.2011 0.1564 -0.0015 0.0052 0.0051 189 ASN A CB 3076 C CG . ASN A 189 ? 0.2633 0.3068 0.2605 -0.0021 0.0052 0.0068 189 ASN A CG 3077 O OD1 . ASN A 189 ? 0.3435 0.3882 0.3415 -0.0020 0.0055 0.0073 189 ASN A OD1 3078 N ND2 . ASN A 189 ? 0.3872 0.4313 0.3842 -0.0027 0.0049 0.0077 189 ASN A ND2 3085 N N . TYR A 190 ? 0.1499 0.1864 0.1469 -0.0001 0.0055 0.0026 190 TYR A N 3086 C CA . TYR A 190 ? 0.1657 0.2002 0.1622 0.0006 0.0056 0.0012 190 TYR A CA 3087 C C . TYR A 190 ? 0.1751 0.2107 0.1713 0.0014 0.0062 0.0004 190 TYR A C 3088 O O . TYR A 190 ? 0.1721 0.2099 0.1687 0.0014 0.0066 0.0011 190 TYR A O 3089 C CB . TYR A 190 ? 0.1411 0.1732 0.1387 0.0005 0.0052 0.0014 190 TYR A CB 3090 C CG . TYR A 190 ? 0.1322 0.1650 0.1310 0.0005 0.0052 0.0023 190 TYR A CG 3091 C CD1 . TYR A 190 ? 0.1532 0.1868 0.1530 -0.0002 0.0049 0.0038 190 TYR A CD1 3092 C CD2 . TYR A 190 ? 0.1451 0.1778 0.1442 0.0012 0.0056 0.0016 190 TYR A CD2 3093 C CE1 . TYR A 190 ? 0.1972 0.2316 0.1983 -0.0003 0.0049 0.0046 190 TYR A CE1 3094 C CE2 . TYR A 190 ? 0.1798 0.2134 0.1800 0.0012 0.0056 0.0025 190 TYR A CE2 3095 C CZ . TYR A 190 ? 0.1859 0.2203 0.1872 0.0004 0.0052 0.0039 190 TYR A CZ 3096 O OH . TYR A 190 ? 0.2458 0.2811 0.2483 0.0003 0.0053 0.0047 190 TYR A OH 3106 N N . GLU A 191 ? 0.1570 0.1910 0.1525 0.0020 0.0064 -0.0011 191 GLU A N 3107 C CA . GLU A 191 ? 0.1361 0.1706 0.1313 0.0030 0.0070 -0.0020 191 GLU A CA 3108 C C . GLU A 191 ? 0.1599 0.1918 0.1554 0.0034 0.0069 -0.0028 191 GLU A C 3109 O O . GLU A 191 ? 0.1798 0.2095 0.1746 0.0035 0.0067 -0.0037 191 GLU A O 3110 C CB . GLU A 191 ? 0.1915 0.2268 0.1852 0.0034 0.0074 -0.0032 191 GLU A CB 3111 C CG . GLU A 191 ? 0.2402 0.2783 0.2335 0.0029 0.0076 -0.0026 191 GLU A CG 3112 C CD . GLU A 191 ? 0.3569 0.3956 0.3486 0.0032 0.0079 -0.0038 191 GLU A CD 3113 O OE1 . GLU A 191 ? 0.2948 0.3313 0.2857 0.0036 0.0079 -0.0052 191 GLU A OE1 3114 O OE2 . GLU A 191 ? 0.3878 0.4290 0.3789 0.0031 0.0082 -0.0035 191 GLU A OE2 3121 N N . ILE A 192 ? 0.1561 0.1882 0.1526 0.0038 0.0070 -0.0025 192 ILE A N 3122 C CA . ILE A 192 ? 0.1518 0.1816 0.1485 0.0044 0.0070 -0.0032 192 ILE A CA 3123 C C . ILE A 192 ? 0.1511 0.1809 0.1469 0.0054 0.0075 -0.0046 192 ILE A C 3124 O O . ILE A 192 ? 0.1832 0.2152 0.1788 0.0058 0.0080 -0.0047 192 ILE A O 3125 C CB . ILE A 192 ? 0.1533 0.1833 0.1514 0.0044 0.0068 -0.0023 192 ILE A CB 3126 C CG1 . ILE A 192 ? 0.1835 0.2124 0.1824 0.0035 0.0062 -0.0013 192 ILE A CG1 3127 C CG2 . ILE A 192 ? 0.1690 0.1974 0.1673 0.0052 0.0069 -0.0031 192 ILE A CG2 3128 C CD1 . ILE A 192 ? 0.2095 0.2391 0.2099 0.0033 0.0060 -0.0002 192 ILE A CD1 3140 N N . ARG A 193 ? 0.1616 0.1889 0.1568 0.0057 0.0075 -0.0057 193 ARG A N 3141 C CA . ARG A 193 ? 0.1763 0.2032 0.1707 0.0067 0.0080 -0.0071 193 ARG A CA 3142 C C . ARG A 193 ? 0.1854 0.2099 0.1803 0.0072 0.0078 -0.0075 193 ARG A C 3143 O O . ARG A 193 ? 0.2277 0.2500 0.2226 0.0069 0.0074 -0.0076 193 ARG A O 3144 C CB . ARG A 193 ? 0.1995 0.2257 0.1925 0.0066 0.0080 -0.0082 193 ARG A CB 3145 C CG . ARG A 193 ? 0.2122 0.2409 0.2046 0.0062 0.0082 -0.0079 193 ARG A CG 3146 C CD . ARG A 193 ? 0.2794 0.3106 0.2716 0.0069 0.0089 -0.0082 193 ARG A CD 3147 N NE . ARG A 193 ? 0.2915 0.3253 0.2831 0.0065 0.0090 -0.0078 193 ARG A NE 3148 C CZ . ARG A 193 ? 0.3422 0.3784 0.3346 0.0060 0.0091 -0.0064 193 ARG A CZ 3149 N NH1 . ARG A 193 ? 0.3213 0.3576 0.3150 0.0059 0.0089 -0.0053 193 ARG A NH1 3150 N NH2 . ARG A 193 ? 0.3558 0.3943 0.3475 0.0057 0.0092 -0.0061 193 ARG A NH2 3164 N N . GLY A 194 ? 0.1685 0.1936 0.1639 0.0081 0.0082 -0.0077 194 GLY A N 3165 C CA . GLY A 194 ? 0.1853 0.2084 0.1812 0.0086 0.0081 -0.0080 194 GLY A CA 3166 C C . GLY A 194 ? 0.1445 0.1675 0.1416 0.0082 0.0076 -0.0068 194 GLY A C 3167 O O . GLY A 194 ? 0.1879 0.2129 0.1858 0.0077 0.0076 -0.0057 194 GLY A O 3171 N N . TYR A 195 ? 0.1305 0.1511 0.1279 0.0083 0.0073 -0.0069 195 TYR A N 3172 C CA . TYR A 195 ? 0.1252 0.1456 0.1238 0.0080 0.0069 -0.0059 195 TYR A CA 3173 C C . TYR A 195 ? 0.1251 0.1446 0.1238 0.0069 0.0063 -0.0052 195 TYR A C 3174 O O . TYR A 195 ? 0.1392 0.1564 0.1377 0.0067 0.0060 -0.0055 195 TYR A O 3175 C CB . TYR A 195 ? 0.1492 0.1675 0.1480 0.0087 0.0069 -0.0065 195 TYR A CB 3176 C CG . TYR A 195 ? 0.1456 0.1637 0.1455 0.0086 0.0065 -0.0056 195 TYR A CG 3177 C CD1 . TYR A 195 ? 0.1514 0.1718 0.1524 0.0083 0.0064 -0.0046 195 TYR A CD1 3178 C CD2 . TYR A 195 ? 0.1307 0.1465 0.1306 0.0088 0.0062 -0.0059 195 TYR A CD2 3179 C CE1 . TYR A 195 ? 0.1213 0.1415 0.1233 0.0082 0.0061 -0.0039 195 TYR A CE1 3180 C CE2 . TYR A 195 ? 0.1536 0.1693 0.1546 0.0088 0.0059 -0.0051 195 TYR A CE2 3181 C CZ . TYR A 195 ? 0.1125 0.1304 0.1145 0.0085 0.0058 -0.0042 195 TYR A CZ 3182 O OH . TYR A 195 ? 0.1408 0.1587 0.1438 0.0084 0.0054 -0.0035 195 TYR A OH 3192 N N . VAL A 196 ? 0.1387 0.1601 0.1379 0.0062 0.0062 -0.0042 196 VAL A N 3193 C CA . VAL A 196 ? 0.1290 0.1499 0.1286 0.0052 0.0057 -0.0034 196 VAL A CA 3194 C C . VAL A 196 ? 0.1532 0.1760 0.1540 0.0049 0.0056 -0.0022 196 VAL A C 3195 O O . VAL A 196 ? 0.1635 0.1887 0.1645 0.0051 0.0059 -0.0019 196 VAL A O 3196 C CB . VAL A 196 ? 0.1322 0.1536 0.1310 0.0047 0.0057 -0.0034 196 VAL A CB 3197 C CG1 . VAL A 196 ? 0.1471 0.1676 0.1463 0.0038 0.0051 -0.0026 196 VAL A CG1 3198 C CG2 . VAL A 196 ? 0.1620 0.1819 0.1595 0.0051 0.0059 -0.0047 196 VAL A CG2 3208 N N . ILE A 197 ? 0.1180 0.1398 0.1196 0.0044 0.0051 -0.0015 197 ILE A N 3209 C CA . ILE A 197 ? 0.1099 0.1332 0.1128 0.0040 0.0049 -0.0003 197 ILE A CA 3210 C C . ILE A 197 ? 0.1211 0.1441 0.1244 0.0030 0.0044 0.0006 197 ILE A C 3211 O O . ILE A 197 ? 0.1369 0.1579 0.1400 0.0027 0.0040 0.0004 197 ILE A O 3212 C CB . ILE A 197 ? 0.1458 0.1682 0.1495 0.0044 0.0047 -0.0004 197 ILE A CB 3213 C CG1 . ILE A 197 ? 0.1345 0.1569 0.1378 0.0055 0.0051 -0.0013 197 ILE A CG1 3214 C CG2 . ILE A 197 ? 0.1517 0.1755 0.1566 0.0039 0.0044 0.0008 197 ILE A CG2 3215 C CD1 . ILE A 197 ? 0.1339 0.1591 0.1374 0.0059 0.0057 -0.0011 197 ILE A CD1 3227 N N . ILE A 198 ? 0.1203 0.1453 0.1243 0.0025 0.0044 0.0016 198 ILE A N 3228 C CA . ILE A 198 ? 0.1026 0.1274 0.1072 0.0016 0.0039 0.0026 198 ILE A CA 3229 C C . ILE A 198 ? 0.1413 0.1656 0.1470 0.0013 0.0035 0.0032 198 ILE A C 3230 O O . ILE A 198 ? 0.1520 0.1778 0.1586 0.0014 0.0036 0.0036 198 ILE A O 3231 C CB . ILE A 198 ? 0.0983 0.1255 0.1031 0.0011 0.0040 0.0035 198 ILE A CB 3232 C CG1 . ILE A 198 ? 0.1424 0.1700 0.1459 0.0013 0.0044 0.0028 198 ILE A CG1 3233 C CG2 . ILE A 198 ? 0.1439 0.1707 0.1494 0.0001 0.0035 0.0046 198 ILE A CG2 3234 C CD1 . ILE A 198 ? 0.1894 0.2196 0.1929 0.0009 0.0046 0.0036 198 ILE A CD1 3246 N N . LYS A 199 ? 0.1104 0.1327 0.1164 0.0008 0.0029 0.0033 199 LYS A N 3247 C CA . LYS A 199 ? 0.1000 0.1215 0.1069 0.0005 0.0025 0.0038 199 LYS A CA 3248 C C . LYS A 199 ? 0.1025 0.1232 0.1099 -0.0003 0.0020 0.0046 199 LYS A C 3249 O O . LYS A 199 ? 0.1018 0.1219 0.1086 -0.0006 0.0020 0.0045 199 LYS A O 3250 C CB . LYS A 199 ? 0.1234 0.1429 0.1301 0.0011 0.0024 0.0029 199 LYS A CB 3251 C CG . LYS A 199 ? 0.1645 0.1846 0.1710 0.0019 0.0028 0.0024 199 LYS A CG 3252 C CD . LYS A 199 ? 0.1987 0.2203 0.2065 0.0018 0.0026 0.0031 199 LYS A CD 3253 C CE . LYS A 199 ? 0.1898 0.2122 0.1976 0.0027 0.0030 0.0026 199 LYS A CE 3254 N NZ . LYS A 199 ? 0.3125 0.3366 0.3216 0.0024 0.0028 0.0034 199 LYS A NZ 3268 N N . PRO A 200 ? 0.1102 0.1308 0.1187 -0.0008 0.0016 0.0052 200 PRO A N 3269 C CA . PRO A 200 ? 0.1141 0.1334 0.1230 -0.0015 0.0011 0.0058 200 PRO A CA 3270 C C . PRO A 200 ? 0.1109 0.1277 0.1189 -0.0013 0.0009 0.0050 200 PRO A C 3271 O O . PRO A 200 ? 0.1406 0.1564 0.1482 -0.0008 0.0010 0.0042 200 PRO A O 3272 C CB . PRO A 200 ? 0.1569 0.1762 0.1669 -0.0019 0.0007 0.0064 200 PRO A CB 3273 C CG . PRO A 200 ? 0.2046 0.2262 0.2151 -0.0016 0.0010 0.0065 200 PRO A CG 3274 C CD . PRO A 200 ? 0.1520 0.1735 0.1613 -0.0007 0.0015 0.0055 200 PRO A CD 3282 N N . LEU A 201 ? 0.1229 0.1389 0.1309 -0.0018 0.0007 0.0053 201 LEU A N 3283 C CA . LEU A 201 ? 0.1423 0.1561 0.1498 -0.0017 0.0004 0.0047 201 LEU A CA 3284 C C . LEU A 201 ? 0.1890 0.2014 0.1972 -0.0020 0.0000 0.0049 201 LEU A C 3285 O O . LEU A 201 ? 0.2172 0.2298 0.2263 -0.0026 -0.0004 0.0057 201 LEU A O 3286 C CB . LEU A 201 ? 0.1641 0.1778 0.1714 -0.0022 0.0003 0.0052 201 LEU A CB 3287 C CG . LEU A 201 ? 0.2193 0.2308 0.2264 -0.0023 0.0000 0.0049 201 LEU A CG 3288 C CD1 . LEU A 201 ? 0.2005 0.2109 0.2066 -0.0017 0.0003 0.0038 201 LEU A CD1 3289 C CD2 . LEU A 201 ? 0.2494 0.2611 0.2566 -0.0028 -0.0001 0.0056 201 LEU A CD2 3301 N N . VAL A 202 ? 0.1333 0.1444 0.1412 -0.0015 -0.0001 0.0041 202 VAL A N 3302 C CA . VAL A 202 ? 0.1297 0.1396 0.1382 -0.0018 -0.0005 0.0042 202 VAL A CA 3303 C C . VAL A 202 ? 0.1235 0.1312 0.1315 -0.0017 -0.0007 0.0037 202 VAL A C 3304 O O . VAL A 202 ? 0.1407 0.1473 0.1492 -0.0019 -0.0011 0.0037 202 VAL A O 3305 C CB . VAL A 202 ? 0.1327 0.1429 0.1413 -0.0013 -0.0004 0.0039 202 VAL A CB 3306 C CG1 . VAL A 202 ? 0.1639 0.1765 0.1731 -0.0013 -0.0002 0.0044 202 VAL A CG1 3307 C CG2 . VAL A 202 ? 0.1410 0.1504 0.1487 -0.0005 -0.0001 0.0029 202 VAL A CG2 3317 N N . TRP A 203 ? 0.1146 0.1217 0.1217 -0.0015 -0.0005 0.0033 203 TRP A N 3318 C CA . TRP A 203 ? 0.1363 0.1414 0.1429 -0.0014 -0.0006 0.0027 203 TRP A CA 3319 C C . TRP A 203 ? 0.1912 0.1957 0.1979 -0.0018 -0.0008 0.0031 203 TRP A C 3320 O O . TRP A 203 ? 0.2777 0.2807 0.2841 -0.0018 -0.0009 0.0027 203 TRP A O 3321 C CB . TRP A 203 ? 0.1542 0.1587 0.1597 -0.0008 -0.0003 0.0018 203 TRP A CB 3322 C CG . TRP A 203 ? 0.1191 0.1250 0.1242 -0.0006 0.0001 0.0017 203 TRP A CG 3323 C CD1 . TRP A 203 ? 0.1275 0.1347 0.1325 -0.0002 0.0005 0.0016 203 TRP A CD1 3324 C CD2 . TRP A 203 ? 0.1099 0.1160 0.1145 -0.0007 0.0003 0.0016 203 TRP A CD2 3325 N NE1 . TRP A 203 ? 0.1169 0.1250 0.1213 -0.0001 0.0008 0.0014 203 TRP A NE1 3326 C CE2 . TRP A 203 ? 0.1066 0.1141 0.1107 -0.0004 0.0007 0.0014 203 TRP A CE2 3327 C CE3 . TRP A 203 ? 0.1392 0.1444 0.1436 -0.0010 0.0001 0.0017 203 TRP A CE3 3328 C CZ2 . TRP A 203 ? 0.1326 0.1406 0.1360 -0.0005 0.0009 0.0013 203 TRP A CZ2 3329 C CZ3 . TRP A 203 ? 0.1386 0.1444 0.1424 -0.0011 0.0003 0.0016 203 TRP A CZ3 3330 C CH2 . TRP A 203 ? 0.1623 0.1695 0.1656 -0.0008 0.0007 0.0014 203 TRP A CH2 3341 N N . VAL A 204 ? 0.2246 0.2302 0.2318 -0.0023 -0.0009 0.0039 204 VAL A N 3342 C CA . VAL A 204 ? 0.3625 0.3673 0.3700 -0.0027 -0.0012 0.0043 204 VAL A CA 3343 C C . VAL A 204 ? 0.5699 0.5739 0.5784 -0.0031 -0.0016 0.0047 204 VAL A C 3344 O O . VAL A 204 ? 0.6546 0.6570 0.6631 -0.0031 -0.0018 0.0045 204 VAL A O 3345 C CB . VAL A 204 ? 0.3822 0.3884 0.3899 -0.0030 -0.0011 0.0050 204 VAL A CB 3346 C CG1 . VAL A 204 ? 0.2657 0.2722 0.2723 -0.0027 -0.0007 0.0045 204 VAL A CG1 3347 C CG2 . VAL A 204 ? 0.5985 0.6064 0.6069 -0.0033 -0.0011 0.0058 204 VAL A CG2 3348 O OXT . VAL A 204 ? 0.6048 0.6096 0.6140 -0.0033 -0.0017 0.0051 204 VAL A OXT 3358 N N . HIS B 1 ? 0.4545 0.4846 0.4753 0.0015 -0.0095 0.0054 1 HIS B N 3359 C CA . HIS B 1 ? 0.4608 0.4918 0.4824 0.0003 -0.0104 0.0055 1 HIS B CA 3360 C C . HIS B 1 ? 0.4083 0.4371 0.4287 -0.0001 -0.0110 0.0049 1 HIS B C 3361 O O . HIS B 1 ? 0.3505 0.3798 0.3712 -0.0009 -0.0118 0.0049 1 HIS B O 3362 C CB . HIS B 1 ? 0.5001 0.5339 0.5228 0.0007 -0.0108 0.0061 1 HIS B CB 3363 C CG . HIS B 1 ? 0.8111 0.8473 0.8350 0.0011 -0.0102 0.0067 1 HIS B CG 3364 N ND1 . HIS B 1 ? 0.7784 0.8157 0.8024 0.0025 -0.0097 0.0069 1 HIS B ND1 3365 C CD2 . HIS B 1 ? 0.8930 0.9306 0.9180 0.0003 -0.0101 0.0071 1 HIS B CD2 3366 C CE1 . HIS B 1 ? 0.7406 0.7799 0.7657 0.0026 -0.0092 0.0074 1 HIS B CE1 3367 N NE2 . HIS B 1 ? 0.8250 0.8646 0.8508 0.0012 -0.0095 0.0076 1 HIS B NE2 3377 N N . THR B 2 ? 0.2424 0.2686 0.2614 0.0004 -0.0106 0.0044 2 THR B N 3378 C CA . THR B 2 ? 0.2027 0.2268 0.2205 -0.0001 -0.0110 0.0038 2 THR B CA 3379 C C . THR B 2 ? 0.1642 0.1862 0.1815 -0.0007 -0.0107 0.0034 2 THR B C 3380 O O . THR B 2 ? 0.1714 0.1927 0.1884 -0.0002 -0.0100 0.0035 2 THR B O 3381 C CB . THR B 2 ? 0.2393 0.2623 0.2558 0.0011 -0.0108 0.0035 2 THR B CB 3382 O OG1 . THR B 2 ? 0.3422 0.3672 0.3593 0.0016 -0.0111 0.0039 2 THR B OG1 3383 C CG2 . THR B 2 ? 0.2132 0.2339 0.2284 0.0007 -0.0112 0.0028 2 THR B CG2 3391 N N . ASP B 3 ? 0.1357 0.1566 0.1529 -0.0017 -0.0113 0.0031 3 ASP B N 3392 C CA . ASP B 3 ? 0.1253 0.1443 0.1421 -0.0023 -0.0110 0.0028 3 ASP B CA 3393 C C . ASP B 3 ? 0.1457 0.1622 0.1608 -0.0018 -0.0109 0.0021 3 ASP B C 3394 O O . ASP B 3 ? 0.1636 0.1793 0.1781 -0.0021 -0.0115 0.0016 3 ASP B O 3395 C CB . ASP B 3 ? 0.1406 0.1596 0.1581 -0.0037 -0.0117 0.0027 3 ASP B CB 3396 C CG . ASP B 3 ? 0.2068 0.2238 0.2241 -0.0043 -0.0116 0.0024 3 ASP B CG 3397 O OD1 . ASP B 3 ? 0.1801 0.1955 0.1964 -0.0037 -0.0110 0.0022 3 ASP B OD1 3398 O OD2 . ASP B 3 ? 0.2778 0.2948 0.2958 -0.0054 -0.0120 0.0025 3 ASP B OD2 3403 N N . LEU B 4 ? 0.1096 0.1249 0.1240 -0.0011 -0.0102 0.0020 4 LEU B N 3404 C CA . LEU B 4 ? 0.1217 0.1348 0.1346 -0.0006 -0.0100 0.0014 4 LEU B CA 3405 C C . LEU B 4 ? 0.1434 0.1544 0.1559 -0.0013 -0.0099 0.0010 4 LEU B C 3406 O O . LEU B 4 ? 0.1180 0.1272 0.1293 -0.0009 -0.0096 0.0006 4 LEU B O 3407 C CB . LEU B 4 ? 0.1340 0.1468 0.1463 0.0006 -0.0093 0.0015 4 LEU B CB 3408 C CG . LEU B 4 ? 0.1269 0.1414 0.1394 0.0014 -0.0094 0.0018 4 LEU B CG 3409 C CD1 . LEU B 4 ? 0.1565 0.1706 0.1685 0.0026 -0.0086 0.0019 4 LEU B CD1 3410 C CD2 . LEU B 4 ? 0.1504 0.1645 0.1622 0.0014 -0.0100 0.0016 4 LEU B CD2 3422 N N . SER B 5 ? 0.1540 0.1654 0.1674 -0.0023 -0.0102 0.0012 5 SER B N 3423 C CA . SER B 5 ? 0.1370 0.1465 0.1501 -0.0029 -0.0102 0.0008 5 SER B CA 3424 C C . SER B 5 ? 0.1107 0.1183 0.1224 -0.0028 -0.0104 0.0001 5 SER B C 3425 O O . SER B 5 ? 0.1540 0.1620 0.1656 -0.0029 -0.0110 -0.0001 5 SER B O 3426 C CB . SER B 5 ? 0.1821 0.1921 0.1963 -0.0041 -0.0108 0.0010 5 SER B CB 3427 O OG . SER B 5 ? 0.2359 0.2475 0.2513 -0.0044 -0.0105 0.0017 5 SER B OG 3433 N N . GLY B 6 ? 0.1412 0.1470 0.1521 -0.0025 -0.0099 -0.0002 6 GLY B N 3434 C CA . GLY B 6 ? 0.1454 0.1493 0.1551 -0.0024 -0.0101 -0.0009 6 GLY B CA 3435 C C . GLY B 6 ? 0.1364 0.1402 0.1450 -0.0015 -0.0099 -0.0010 6 GLY B C 3436 O O . GLY B 6 ? 0.1530 0.1555 0.1606 -0.0014 -0.0101 -0.0016 6 GLY B O 3440 N N . LYS B 7 ? 0.1295 0.1346 0.1384 -0.0008 -0.0096 -0.0006 7 LYS B N 3441 C CA . LYS B 7 ? 0.1330 0.1381 0.1411 0.0001 -0.0095 -0.0006 7 LYS B CA 3442 C C . LYS B 7 ? 0.1251 0.1300 0.1330 0.0010 -0.0087 -0.0004 7 LYS B C 3443 O O . LYS B 7 ? 0.1246 0.1299 0.1331 0.0009 -0.0083 -0.0001 7 LYS B O 3444 C CB . LYS B 7 ? 0.1173 0.1244 0.1260 0.0003 -0.0100 -0.0003 7 LYS B CB 3445 C CG . LYS B 7 ? 0.1726 0.1801 0.1815 -0.0006 -0.0108 -0.0005 7 LYS B CG 3446 C CD . LYS B 7 ? 0.2444 0.2540 0.2539 -0.0005 -0.0113 -0.0002 7 LYS B CD 3447 C CE . LYS B 7 ? 0.3848 0.3948 0.3947 -0.0015 -0.0122 -0.0005 7 LYS B CE 3448 N NZ . LYS B 7 ? 0.5888 0.5968 0.5976 -0.0019 -0.0123 -0.0012 7 LYS B NZ 3462 N N . VAL B 8 ? 0.1092 0.1133 0.1160 0.0018 -0.0085 -0.0005 8 VAL B N 3463 C CA . VAL B 8 ? 0.0993 0.1031 0.1058 0.0026 -0.0078 -0.0003 8 VAL B CA 3464 C C . VAL B 8 ? 0.1045 0.1091 0.1107 0.0035 -0.0078 -0.0001 8 VAL B C 3465 O O . VAL B 8 ? 0.1086 0.1135 0.1145 0.0035 -0.0083 -0.0001 8 VAL B O 3466 C CB . VAL B 8 ? 0.1096 0.1112 0.1149 0.0028 -0.0074 -0.0007 8 VAL B CB 3467 C CG1 . VAL B 8 ? 0.1589 0.1597 0.1644 0.0021 -0.0072 -0.0009 8 VAL B CG1 3468 C CG2 . VAL B 8 ? 0.1153 0.1160 0.1196 0.0029 -0.0077 -0.0011 8 VAL B CG2 3478 N N . PHE B 9 ? 0.0851 0.0899 0.0914 0.0043 -0.0073 0.0002 9 PHE B N 3479 C CA . PHE B 9 ? 0.0884 0.0933 0.0942 0.0053 -0.0071 0.0004 9 PHE B CA 3480 C C . PHE B 9 ? 0.0954 0.0982 0.0999 0.0056 -0.0068 0.0001 9 PHE B C 3481 O O . PHE B 9 ? 0.0966 0.0983 0.1009 0.0055 -0.0063 -0.0002 9 PHE B O 3482 C CB . PHE B 9 ? 0.0901 0.0960 0.0965 0.0061 -0.0067 0.0007 9 PHE B CB 3483 C CG . PHE B 9 ? 0.0907 0.0989 0.0984 0.0059 -0.0069 0.0011 9 PHE B CG 3484 C CD1 . PHE B 9 ? 0.1024 0.1119 0.1104 0.0059 -0.0076 0.0014 9 PHE B CD1 3485 C CD2 . PHE B 9 ? 0.1002 0.1093 0.1087 0.0058 -0.0066 0.0013 9 PHE B CD2 3486 C CE1 . PHE B 9 ? 0.1167 0.1285 0.1260 0.0057 -0.0078 0.0018 9 PHE B CE1 3487 C CE2 . PHE B 9 ? 0.1178 0.1292 0.1276 0.0057 -0.0068 0.0017 9 PHE B CE2 3488 C CZ . PHE B 9 ? 0.1045 0.1172 0.1147 0.0057 -0.0074 0.0020 9 PHE B CZ 3498 N N . VAL B 10 ? 0.0878 0.0901 0.0915 0.0059 -0.0070 0.0001 10 VAL B N 3499 C CA . VAL B 10 ? 0.0819 0.0825 0.0845 0.0063 -0.0067 -0.0001 10 VAL B CA 3500 C C . VAL B 10 ? 0.0744 0.0751 0.0768 0.0074 -0.0064 0.0003 10 VAL B C 3501 O O . VAL B 10 ? 0.0966 0.0985 0.0992 0.0078 -0.0068 0.0006 10 VAL B O 3502 C CB . VAL B 10 ? 0.1075 0.1074 0.1092 0.0060 -0.0071 -0.0004 10 VAL B CB 3503 C CG1 . VAL B 10 ? 0.1124 0.1104 0.1129 0.0063 -0.0067 -0.0006 10 VAL B CG1 3504 C CG2 . VAL B 10 ? 0.1280 0.1279 0.1300 0.0050 -0.0075 -0.0008 10 VAL B CG2 3514 N N . PHE B 11 ? 0.0784 0.0780 0.0805 0.0078 -0.0058 0.0002 11 PHE B N 3515 C CA . PHE B 11 ? 0.0863 0.0856 0.0881 0.0088 -0.0054 0.0005 11 PHE B CA 3516 C C . PHE B 11 ? 0.1090 0.1064 0.1095 0.0089 -0.0053 0.0004 11 PHE B C 3517 O O . PHE B 11 ? 0.0963 0.0923 0.0964 0.0087 -0.0049 0.0001 11 PHE B O 3518 C CB . PHE B 11 ? 0.0995 0.0985 0.1017 0.0092 -0.0048 0.0005 11 PHE B CB 3519 C CG . PHE B 11 ? 0.0825 0.0834 0.0859 0.0091 -0.0049 0.0006 11 PHE B CG 3520 C CD1 . PHE B 11 ? 0.1080 0.1092 0.1118 0.0082 -0.0050 0.0004 11 PHE B CD1 3521 C CD2 . PHE B 11 ? 0.0902 0.0925 0.0943 0.0098 -0.0049 0.0010 11 PHE B CD2 3522 C CE1 . PHE B 11 ? 0.1050 0.1080 0.1100 0.0080 -0.0050 0.0005 11 PHE B CE1 3523 C CE2 . PHE B 11 ? 0.0933 0.0975 0.0985 0.0096 -0.0050 0.0011 11 PHE B CE2 3524 C CZ . PHE B 11 ? 0.1038 0.1082 0.1094 0.0087 -0.0050 0.0009 11 PHE B CZ 3534 N N . PRO B 12 ? 0.0862 0.0837 0.0862 0.0090 -0.0057 0.0006 12 PRO B N 3535 C CA . PRO B 12 ? 0.1059 0.1020 0.1048 0.0088 -0.0057 0.0004 12 PRO B CA 3536 C C . PRO B 12 ? 0.1030 0.0976 0.1011 0.0095 -0.0052 0.0006 12 PRO B C 3537 O O . PRO B 12 ? 0.1077 0.1011 0.1049 0.0093 -0.0051 0.0004 12 PRO B O 3538 C CB . PRO B 12 ? 0.1279 0.1249 0.1265 0.0086 -0.0064 0.0005 12 PRO B CB 3539 C CG . PRO B 12 ? 0.1044 0.1034 0.1041 0.0086 -0.0068 0.0007 12 PRO B CG 3540 C CD . PRO B 12 ? 0.1007 0.0999 0.1011 0.0092 -0.0063 0.0009 12 PRO B CD 3548 N N . ARG B 13 ? 0.1039 0.0986 0.1024 0.0103 -0.0049 0.0009 13 ARG B N 3549 C CA . ARG B 13 ? 0.1136 0.1070 0.1115 0.0109 -0.0045 0.0011 13 ARG B CA 3550 C C . ARG B 13 ? 0.1314 0.1247 0.1299 0.0116 -0.0040 0.0012 13 ARG B C 3551 O O . ARG B 13 ? 0.1798 0.1745 0.1792 0.0118 -0.0041 0.0013 13 ARG B O 3552 C CB . ARG B 13 ? 0.1677 0.1614 0.1651 0.0115 -0.0048 0.0017 13 ARG B CB 3553 C CG . ARG B 13 ? 0.2971 0.2927 0.2954 0.0119 -0.0052 0.0020 13 ARG B CG 3554 C CD . ARG B 13 ? 0.3937 0.3894 0.3919 0.0129 -0.0052 0.0027 13 ARG B CD 3555 N NE . ARG B 13 ? 0.1962 0.1937 0.1954 0.0135 -0.0054 0.0031 13 ARG B NE 3556 C CZ . ARG B 13 ? 0.4322 0.4309 0.4315 0.0140 -0.0059 0.0036 13 ARG B CZ 3557 N NH1 . ARG B 13 ? 0.5326 0.5310 0.5311 0.0140 -0.0062 0.0039 13 ARG B NH1 3558 N NH2 . ARG B 13 ? 0.4700 0.4704 0.4704 0.0145 -0.0060 0.0039 13 ARG B NH2 3572 N N . GLU B 14 ? 0.1135 0.1051 0.1114 0.0119 -0.0035 0.0012 14 GLU B N 3573 C CA . GLU B 14 ? 0.1089 0.1002 0.1073 0.0126 -0.0030 0.0012 14 GLU B CA 3574 C C . GLU B 14 ? 0.1194 0.1115 0.1181 0.0136 -0.0032 0.0018 14 GLU B C 3575 O O . GLU B 14 ? 0.1450 0.1368 0.1431 0.0138 -0.0034 0.0022 14 GLU B O 3576 C CB . GLU B 14 ? 0.2208 0.2101 0.2185 0.0126 -0.0025 0.0010 14 GLU B CB 3577 C CG . GLU B 14 ? 0.3325 0.3209 0.3303 0.0133 -0.0020 0.0010 14 GLU B CG 3578 C CD . GLU B 14 ? 0.2842 0.2705 0.2812 0.0131 -0.0016 0.0007 14 GLU B CD 3579 O OE1 . GLU B 14 ? 0.3690 0.3542 0.3654 0.0133 -0.0016 0.0011 14 GLU B OE1 3580 O OE2 . GLU B 14 ? 0.2511 0.2372 0.2482 0.0125 -0.0014 0.0002 14 GLU B OE2 3587 N N . SER B 15 ? 0.1119 0.1049 0.1114 0.0141 -0.0030 0.0018 15 SER B N 3588 C CA . SER B 15 ? 0.1212 0.1150 0.1212 0.0151 -0.0031 0.0023 15 SER B CA 3589 C C . SER B 15 ? 0.1216 0.1159 0.1224 0.0157 -0.0027 0.0021 15 SER B C 3590 O O . SER B 15 ? 0.1098 0.1041 0.1108 0.0152 -0.0024 0.0016 15 SER B O 3591 C CB . SER B 15 ? 0.1207 0.1166 0.1212 0.0150 -0.0038 0.0027 15 SER B CB 3592 O OG . SER B 15 ? 0.1298 0.1273 0.1312 0.0147 -0.0038 0.0025 15 SER B OG 3598 N N . VAL B 16 ? 0.1044 0.0993 0.1056 0.0168 -0.0026 0.0026 16 VAL B N 3599 C CA . VAL B 16 ? 0.1116 0.1073 0.1137 0.0174 -0.0023 0.0024 16 VAL B CA 3600 C C . VAL B 16 ? 0.1476 0.1460 0.1508 0.0176 -0.0027 0.0028 16 VAL B C 3601 O O . VAL B 16 ? 0.1879 0.1873 0.1919 0.0183 -0.0024 0.0028 16 VAL B O 3602 C CB . VAL B 16 ? 0.1283 0.1227 0.1303 0.0186 -0.0018 0.0026 16 VAL B CB 3603 C CG1 . VAL B 16 ? 0.1746 0.1697 0.1769 0.0194 -0.0022 0.0034 16 VAL B CG1 3604 C CG2 . VAL B 16 ? 0.1766 0.1713 0.1792 0.0191 -0.0013 0.0022 16 VAL B CG2 3614 N N . THR B 17 ? 0.1034 0.1029 0.1066 0.0169 -0.0033 0.0030 17 THR B N 3615 C CA A THR B 17 ? 0.1116 0.1135 0.1157 0.0170 -0.0038 0.0034 17 THR B CA 3616 C CA B THR B 17 ? 0.1057 0.1077 0.1099 0.0170 -0.0037 0.0033 17 THR B CA 3617 C C . THR B 17 ? 0.1278 0.1311 0.1323 0.0158 -0.0042 0.0031 17 THR B C 3618 O O . THR B 17 ? 0.1662 0.1714 0.1717 0.0158 -0.0043 0.0033 17 THR B O 3619 C CB A THR B 17 ? 0.1285 0.1307 0.1323 0.0173 -0.0043 0.0040 17 THR B CB 3620 C CB B THR B 17 ? 0.1869 0.1895 0.1910 0.0176 -0.0042 0.0041 17 THR B CB 3621 O OG1 A THR B 17 ? 0.1286 0.1297 0.1322 0.0184 -0.0040 0.0044 17 THR B OG1 3622 O OG1 B THR B 17 ? 0.2697 0.2712 0.2729 0.0171 -0.0045 0.0041 17 THR B OG1 3623 C CG2 A THR B 17 ? 0.1471 0.1519 0.1518 0.0173 -0.0049 0.0044 17 THR B CG2 3624 C CG2 B THR B 17 ? 0.1499 0.1519 0.1542 0.0189 -0.0038 0.0044 17 THR B CG2 3639 N N . ASP B 18 ? 0.1010 0.1031 0.1047 0.0149 -0.0044 0.0028 18 ASP B N 3640 C CA . ASP B 18 ? 0.1048 0.1081 0.1088 0.0138 -0.0048 0.0027 18 ASP B CA 3641 C C . ASP B 18 ? 0.0983 0.1023 0.1031 0.0134 -0.0045 0.0023 18 ASP B C 3642 O O . ASP B 18 ? 0.0873 0.0899 0.0917 0.0133 -0.0040 0.0019 18 ASP B O 3643 C CB . ASP B 18 ? 0.1120 0.1139 0.1150 0.0130 -0.0050 0.0024 18 ASP B CB 3644 C CG . ASP B 18 ? 0.1136 0.1147 0.1157 0.0134 -0.0053 0.0027 18 ASP B CG 3645 O OD1 . ASP B 18 ? 0.1402 0.1424 0.1426 0.0141 -0.0056 0.0033 18 ASP B OD1 3646 O OD2 . ASP B 18 ? 0.1507 0.1501 0.1518 0.0130 -0.0052 0.0025 18 ASP B OD2 3651 N N . HIS B 19 ? 0.0948 0.1009 0.1006 0.0131 -0.0049 0.0025 19 HIS B N 3652 C CA . HIS B 19 ? 0.0873 0.0942 0.0938 0.0127 -0.0046 0.0022 19 HIS B CA 3653 C C . HIS B 19 ? 0.0866 0.0957 0.0941 0.0120 -0.0051 0.0025 19 HIS B C 3654 O O . HIS B 19 ? 0.1076 0.1179 0.1153 0.0121 -0.0057 0.0028 19 HIS B O 3655 C CB . HIS B 19 ? 0.0997 0.1069 0.1066 0.0136 -0.0039 0.0022 19 HIS B CB 3656 C CG . HIS B 19 ? 0.1052 0.1143 0.1130 0.0145 -0.0040 0.0027 19 HIS B CG 3657 N ND1 . HIS B 19 ? 0.1246 0.1335 0.1323 0.0154 -0.0041 0.0031 19 HIS B ND1 3658 C CD2 . HIS B 19 ? 0.1121 0.1235 0.1212 0.0147 -0.0040 0.0030 19 HIS B CD2 3659 C CE1 . HIS B 19 ? 0.1224 0.1333 0.1311 0.0161 -0.0042 0.0035 19 HIS B CE1 3660 N NE2 . HIS B 19 ? 0.1624 0.1749 0.1720 0.0157 -0.0041 0.0034 19 HIS B NE2 3668 N N . VAL B 20 ? 0.0859 0.0957 0.0940 0.0114 -0.0049 0.0023 20 VAL B N 3669 C CA . VAL B 20 ? 0.0815 0.0935 0.0907 0.0108 -0.0053 0.0025 20 VAL B CA 3670 C C . VAL B 20 ? 0.0875 0.1009 0.0976 0.0112 -0.0048 0.0026 20 VAL B C 3671 O O . VAL B 20 ? 0.0995 0.1120 0.1094 0.0113 -0.0042 0.0023 20 VAL B O 3672 C CB . VAL B 20 ? 0.0858 0.0974 0.0949 0.0095 -0.0056 0.0023 20 VAL B CB 3673 C CG1 . VAL B 20 ? 0.1185 0.1324 0.1289 0.0088 -0.0061 0.0026 20 VAL B CG1 3674 C CG2 . VAL B 20 ? 0.0990 0.1094 0.1072 0.0091 -0.0061 0.0021 20 VAL B CG2 3684 N N . ASN B 21 ? 0.0864 0.1022 0.0976 0.0115 -0.0050 0.0031 21 ASN B N 3685 C CA . ASN B 21 ? 0.0782 0.0957 0.0905 0.0118 -0.0046 0.0032 21 ASN B CA 3686 C C . ASN B 21 ? 0.0933 0.1121 0.1063 0.0106 -0.0049 0.0033 21 ASN B C 3687 O O . ASN B 21 ? 0.1163 0.1359 0.1297 0.0099 -0.0056 0.0036 21 ASN B O 3688 C CB . ASN B 21 ? 0.1145 0.1340 0.1276 0.0127 -0.0047 0.0038 21 ASN B CB 3689 C CG . ASN B 21 ? 0.1386 0.1570 0.1511 0.0140 -0.0044 0.0038 21 ASN B CG 3690 O OD1 . ASN B 21 ? 0.1480 0.1645 0.1597 0.0144 -0.0039 0.0034 21 ASN B OD1 3691 N ND2 . ASN B 21 ? 0.1785 0.1981 0.1915 0.0146 -0.0048 0.0042 21 ASN B ND2 3698 N N . LEU B 22 ? 0.0986 0.1174 0.1118 0.0103 -0.0044 0.0032 22 LEU B N 3699 C CA . LEU B 22 ? 0.1187 0.1389 0.1328 0.0092 -0.0046 0.0034 22 LEU B CA 3700 C C . LEU B 22 ? 0.1040 0.1268 0.1193 0.0096 -0.0043 0.0038 22 LEU B C 3701 O O . LEU B 22 ? 0.1262 0.1491 0.1414 0.0105 -0.0037 0.0037 22 LEU B O 3702 C CB . LEU B 22 ? 0.0918 0.1104 0.1053 0.0085 -0.0043 0.0030 22 LEU B CB 3703 C CG . LEU B 22 ? 0.0943 0.1103 0.1065 0.0082 -0.0045 0.0025 22 LEU B CG 3704 C CD1 . LEU B 22 ? 0.0969 0.1117 0.1087 0.0075 -0.0041 0.0022 22 LEU B CD1 3705 C CD2 . LEU B 22 ? 0.1486 0.1647 0.1609 0.0074 -0.0053 0.0026 22 LEU B CD2 3717 N N . ILE B 23 ? 0.0981 0.1231 0.1146 0.0090 -0.0048 0.0042 23 ILE B N 3718 C CA . ILE B 23 ? 0.1149 0.1426 0.1327 0.0094 -0.0046 0.0047 23 ILE B CA 3719 C C . ILE B 23 ? 0.1195 0.1485 0.1382 0.0083 -0.0046 0.0049 23 ILE B C 3720 O O . ILE B 23 ? 0.1458 0.1749 0.1648 0.0071 -0.0052 0.0051 23 ILE B O 3721 C CB . ILE B 23 ? 0.1375 0.1670 0.1562 0.0095 -0.0052 0.0052 23 ILE B CB 3722 C CG1 . ILE B 23 ? 0.1936 0.2218 0.2114 0.0106 -0.0053 0.0050 23 ILE B CG1 3723 C CG2 . ILE B 23 ? 0.1763 0.2089 0.1964 0.0099 -0.0050 0.0057 23 ILE B CG2 3724 C CD1 . ILE B 23 ? 0.3165 0.3461 0.3348 0.0106 -0.0061 0.0054 23 ILE B CD1 3736 N N . THR B 24 ? 0.1369 0.1667 0.1558 0.0087 -0.0039 0.0050 24 THR B N 3737 C CA . THR B 24 ? 0.1548 0.1862 0.1746 0.0078 -0.0038 0.0053 24 THR B CA 3738 C C . THR B 24 ? 0.1172 0.1518 0.1384 0.0083 -0.0036 0.0059 24 THR B C 3739 O O . THR B 24 ? 0.1841 0.2194 0.2054 0.0095 -0.0032 0.0058 24 THR B O 3740 C CB . THR B 24 ? 0.1445 0.1747 0.1635 0.0078 -0.0031 0.0050 24 THR B CB 3741 O OG1 . THR B 24 ? 0.1412 0.1731 0.1612 0.0069 -0.0030 0.0054 24 THR B OG1 3742 C CG2 . THR B 24 ? 0.1869 0.2172 0.2056 0.0092 -0.0023 0.0047 24 THR B CG2 3750 N N . PRO B 25 ? 0.2065 0.2430 0.2289 0.0072 -0.0040 0.0064 25 PRO B N 3751 C CA . PRO B 25 ? 0.2325 0.2723 0.2564 0.0075 -0.0038 0.0070 25 PRO B CA 3752 C C . PRO B 25 ? 0.2712 0.3121 0.2954 0.0075 -0.0031 0.0072 25 PRO B C 3753 O O . PRO B 25 ? 0.2436 0.2872 0.2689 0.0079 -0.0028 0.0076 25 PRO B O 3754 C CB . PRO B 25 ? 0.2849 0.3260 0.3098 0.0062 -0.0047 0.0076 25 PRO B CB 3755 C CG . PRO B 25 ? 0.2007 0.2395 0.2248 0.0050 -0.0049 0.0073 25 PRO B CG 3756 C CD . PRO B 25 ? 0.2530 0.2889 0.2755 0.0057 -0.0047 0.0065 25 PRO B CD 3764 N N . LEU B 26 ? 0.2119 0.2507 0.2351 0.0070 -0.0028 0.0068 26 LEU B N 3765 C CA . LEU B 26 ? 0.1994 0.2393 0.2227 0.0070 -0.0022 0.0069 26 LEU B CA 3766 C C . LEU B 26 ? 0.3299 0.3696 0.3527 0.0085 -0.0014 0.0065 26 LEU B C 3767 O O . LEU B 26 ? 0.6724 0.7096 0.6939 0.0091 -0.0013 0.0058 26 LEU B O 3768 C CB . LEU B 26 ? 0.2500 0.2879 0.2725 0.0060 -0.0021 0.0067 26 LEU B CB 3769 C CG . LEU B 26 ? 0.3417 0.3802 0.3641 0.0060 -0.0014 0.0067 26 LEU B CG 3770 C CD1 . LEU B 26 ? 0.3258 0.3628 0.3478 0.0047 -0.0017 0.0068 26 LEU B CD1 3771 C CD2 . LEU B 26 ? 0.3110 0.3481 0.3321 0.0073 -0.0007 0.0060 26 LEU B CD2 3783 N N . GLU B 27 ? 0.1666 0.2089 0.1902 0.0092 -0.0009 0.0068 27 GLU B N 3784 C CA . GLU B 27 ? 0.2030 0.2451 0.2261 0.0107 -0.0002 0.0063 27 GLU B CA 3785 C C . GLU B 27 ? 0.2461 0.2893 0.2691 0.0109 0.0006 0.0062 27 GLU B C 3786 O O . GLU B 27 ? 0.2956 0.3418 0.3198 0.0108 0.0008 0.0068 27 GLU B O 3787 C CB . GLU B 27 ? 0.1899 0.2340 0.2139 0.0118 -0.0003 0.0066 27 GLU B CB 3788 C CG . GLU B 27 ? 0.2539 0.2977 0.2774 0.0134 0.0005 0.0060 27 GLU B CG 3789 C CD . GLU B 27 ? 0.1886 0.2349 0.2133 0.0145 0.0006 0.0064 27 GLU B CD 3790 O OE1 . GLU B 27 ? 0.2337 0.2824 0.2592 0.0150 0.0012 0.0066 27 GLU B OE1 3791 O OE2 . GLU B 27 ? 0.2161 0.2622 0.2410 0.0148 0.0000 0.0066 27 GLU B OE2 3798 N N . LYS B 28 ? 0.1635 0.2046 0.1852 0.0111 0.0010 0.0056 28 LYS B N 3799 C CA . LYS B 28 ? 0.1701 0.2120 0.1916 0.0112 0.0017 0.0054 28 LYS B CA 3800 C C . LYS B 28 ? 0.1857 0.2247 0.2055 0.0117 0.0021 0.0045 28 LYS B C 3801 O O . LYS B 28 ? 0.1740 0.2104 0.1930 0.0114 0.0017 0.0042 28 LYS B O 3802 C CB . LYS B 28 ? 0.2203 0.2633 0.2423 0.0098 0.0016 0.0060 28 LYS B CB 3803 C CG . LYS B 28 ? 0.3269 0.3677 0.3483 0.0086 0.0010 0.0060 28 LYS B CG 3804 C CD . LYS B 28 ? 0.4929 0.5351 0.5149 0.0075 0.0011 0.0066 28 LYS B CD 3805 C CE . LYS B 28 ? 0.4398 0.4801 0.4614 0.0061 0.0005 0.0067 28 LYS B CE 3806 N NZ . LYS B 28 ? 0.3918 0.4335 0.4138 0.0052 0.0007 0.0073 28 LYS B NZ 3820 N N . PRO B 29 ? 0.1353 0.1748 0.1547 0.0124 0.0029 0.0041 29 PRO B N 3821 C CA . PRO B 29 ? 0.1205 0.1573 0.1383 0.0126 0.0032 0.0033 29 PRO B CA 3822 C C . PRO B 29 ? 0.1453 0.1811 0.1627 0.0112 0.0029 0.0035 29 PRO B C 3823 O O . PRO B 29 ? 0.1837 0.2213 0.2020 0.0102 0.0027 0.0042 29 PRO B O 3824 C CB . PRO B 29 ? 0.1695 0.2077 0.1871 0.0135 0.0041 0.0029 29 PRO B CB 3825 C CG . PRO B 29 ? 0.2097 0.2512 0.2287 0.0139 0.0043 0.0035 29 PRO B CG 3826 C CD . PRO B 29 ? 0.1794 0.2219 0.1996 0.0129 0.0035 0.0044 29 PRO B CD 3834 N N . LEU B 30 ? 0.1359 0.1689 0.1520 0.0111 0.0028 0.0029 30 LEU B N 3835 C CA . LEU B 30 ? 0.1374 0.1692 0.1531 0.0099 0.0026 0.0030 30 LEU B CA 3836 C C . LEU B 30 ? 0.1159 0.1474 0.1307 0.0099 0.0032 0.0026 30 LEU B C 3837 O O . LEU B 30 ? 0.1344 0.1644 0.1481 0.0107 0.0036 0.0018 30 LEU B O 3838 C CB . LEU B 30 ? 0.1378 0.1668 0.1528 0.0095 0.0020 0.0027 30 LEU B CB 3839 C CG . LEU B 30 ? 0.1755 0.2046 0.1912 0.0095 0.0014 0.0031 30 LEU B CG 3840 C CD1 . LEU B 30 ? 0.1981 0.2243 0.2129 0.0092 0.0009 0.0027 30 LEU B CD1 3841 C CD2 . LEU B 30 ? 0.2621 0.2930 0.2790 0.0084 0.0009 0.0039 30 LEU B CD2 3853 N N . GLN B 31 ? 0.1551 0.1880 0.1703 0.0090 0.0032 0.0031 31 GLN B N 3854 C CA . GLN B 31 ? 0.1501 0.1827 0.1644 0.0088 0.0036 0.0028 31 GLN B CA 3855 C C . GLN B 31 ? 0.1376 0.1681 0.1513 0.0078 0.0032 0.0028 31 GLN B C 3856 O O . GLN B 31 ? 0.1620 0.1910 0.1746 0.0079 0.0034 0.0023 31 GLN B O 3857 C CB . GLN B 31 ? 0.1888 0.2243 0.2038 0.0085 0.0040 0.0034 31 GLN B CB 3858 C CG . GLN B 31 ? 0.2668 0.3046 0.2824 0.0095 0.0045 0.0034 31 GLN B CG 3859 C CD . GLN B 31 ? 0.4138 0.4548 0.4304 0.0091 0.0048 0.0042 31 GLN B CD 3860 O OE1 . GLN B 31 ? 0.3719 0.4133 0.3880 0.0087 0.0052 0.0042 31 GLN B OE1 3861 N NE2 . GLN B 31 ? 0.4152 0.4583 0.4331 0.0091 0.0047 0.0049 31 GLN B NE2 3870 N N . ASN B 32 ? 0.1146 0.1448 0.1290 0.0069 0.0025 0.0034 32 ASN B N 3871 C CA . ASN B 32 ? 0.1162 0.1444 0.1302 0.0059 0.0020 0.0035 32 ASN B CA 3872 C C . ASN B 32 ? 0.0873 0.1141 0.1015 0.0058 0.0014 0.0035 32 ASN B C 3873 O O . ASN B 32 ? 0.1153 0.1435 0.1305 0.0059 0.0011 0.0039 32 ASN B O 3874 C CB . ASN B 32 ? 0.1272 0.1568 0.1420 0.0047 0.0018 0.0044 32 ASN B CB 3875 C CG . ASN B 32 ? 0.1739 0.2050 0.1884 0.0047 0.0024 0.0045 32 ASN B CG 3876 O OD1 . ASN B 32 ? 0.1593 0.1897 0.1729 0.0052 0.0028 0.0039 32 ASN B OD1 3877 N ND2 . ASN B 32 ? 0.2137 0.2472 0.2294 0.0041 0.0024 0.0054 32 ASN B ND2 3882 N N . PHE B 33 ? 0.0970 0.1213 0.1104 0.0055 0.0011 0.0031 33 PHE B N 3883 C CA . PHE B 33 ? 0.0891 0.1122 0.1027 0.0051 0.0004 0.0032 33 PHE B CA 3884 C C . PHE B 33 ? 0.0745 0.0953 0.0874 0.0045 0.0001 0.0030 33 PHE B C 3885 O O . PHE B 33 ? 0.0964 0.1161 0.1084 0.0046 0.0004 0.0026 33 PHE B O 3886 C CB . PHE B 33 ? 0.0994 0.1219 0.1128 0.0061 0.0004 0.0028 33 PHE B CB 3887 C CG . PHE B 33 ? 0.0953 0.1156 0.1074 0.0068 0.0007 0.0020 33 PHE B CG 3888 C CD1 . PHE B 33 ? 0.1048 0.1228 0.1163 0.0065 0.0003 0.0017 33 PHE B CD1 3889 C CD2 . PHE B 33 ? 0.0983 0.1188 0.1099 0.0078 0.0013 0.0015 33 PHE B CD2 3890 C CE1 . PHE B 33 ? 0.1064 0.1223 0.1167 0.0071 0.0005 0.0010 33 PHE B CE1 3891 C CE2 . PHE B 33 ? 0.1002 0.1186 0.1106 0.0083 0.0016 0.0007 33 PHE B CE2 3892 C CZ . PHE B 33 ? 0.1075 0.1236 0.1174 0.0080 0.0011 0.0005 33 PHE B CZ 3902 N N . THR B 34 ? 0.0778 0.0978 0.0911 0.0039 -0.0005 0.0032 34 THR B N 3903 C CA . THR B 34 ? 0.0770 0.0946 0.0895 0.0034 -0.0009 0.0029 34 THR B CA 3904 C C . THR B 34 ? 0.0831 0.0998 0.0956 0.0036 -0.0014 0.0027 34 THR B C 3905 O O . THR B 34 ? 0.0951 0.1131 0.1086 0.0034 -0.0017 0.0031 34 THR B O 3906 C CB . THR B 34 ? 0.0852 0.1026 0.0981 0.0022 -0.0012 0.0034 34 THR B CB 3907 O OG1 . THR B 34 ? 0.1099 0.1285 0.1229 0.0021 -0.0008 0.0037 34 THR B OG1 3908 C CG2 . THR B 34 ? 0.1050 0.1200 0.1172 0.0019 -0.0015 0.0030 34 THR B CG2 3916 N N . LEU B 35 ? 0.0825 0.0970 0.0940 0.0039 -0.0014 0.0021 35 LEU B N 3917 C CA . LEU B 35 ? 0.0809 0.0943 0.0922 0.0041 -0.0019 0.0019 35 LEU B CA 3918 C C . LEU B 35 ? 0.0867 0.0979 0.0973 0.0035 -0.0022 0.0017 35 LEU B C 3919 O O . LEU B 35 ? 0.0911 0.1011 0.1009 0.0036 -0.0018 0.0013 35 LEU B O 3920 C CB . LEU B 35 ? 0.0919 0.1048 0.1026 0.0052 -0.0015 0.0015 35 LEU B CB 3921 C CG . LEU B 35 ? 0.0881 0.0994 0.0982 0.0055 -0.0019 0.0012 35 LEU B CG 3922 C CD1 . LEU B 35 ? 0.1195 0.1322 0.1305 0.0054 -0.0024 0.0016 35 LEU B CD1 3923 C CD2 . LEU B 35 ? 0.1207 0.1312 0.1301 0.0066 -0.0014 0.0007 35 LEU B CD2 3935 N N . CYS B 36 ? 0.0878 0.0987 0.0988 0.0029 -0.0028 0.0018 36 CYS B N 3936 C CA . CYS B 36 ? 0.1077 0.1166 0.1181 0.0024 -0.0031 0.0016 36 CYS B CA 3937 C C . CYS B 36 ? 0.0900 0.0982 0.1001 0.0026 -0.0035 0.0013 36 CYS B C 3938 O O . CYS B 36 ? 0.1026 0.1120 0.1133 0.0027 -0.0038 0.0016 36 CYS B O 3939 C CB . CYS B 36 ? 0.1652 0.1744 0.1763 0.0013 -0.0035 0.0020 36 CYS B CB 3940 S SG . CYS B 36 ? 0.1965 0.2065 0.2080 0.0009 -0.0030 0.0023 36 CYS B SG 3945 N N . PHE B 37 ? 0.0896 0.0958 0.0988 0.0027 -0.0036 0.0009 37 PHE B N 3946 C CA . PHE B 37 ? 0.0763 0.0816 0.0851 0.0028 -0.0040 0.0007 37 PHE B CA 3947 C C . PHE B 37 ? 0.0915 0.0946 0.0993 0.0026 -0.0040 0.0002 37 PHE B C 3948 O O . PHE B 37 ? 0.0957 0.0981 0.1032 0.0026 -0.0036 0.0001 37 PHE B O 3949 C CB . PHE B 37 ? 0.1146 0.1204 0.1232 0.0037 -0.0038 0.0006 37 PHE B CB 3950 C CG . PHE B 37 ? 0.0972 0.1022 0.1051 0.0045 -0.0032 0.0003 37 PHE B CG 3951 C CD1 . PHE B 37 ? 0.1151 0.1182 0.1218 0.0048 -0.0031 -0.0001 37 PHE B CD1 3952 C CD2 . PHE B 37 ? 0.1331 0.1391 0.1412 0.0049 -0.0027 0.0004 37 PHE B CD2 3953 C CE1 . PHE B 37 ? 0.1494 0.1517 0.1556 0.0055 -0.0026 -0.0004 37 PHE B CE1 3954 C CE2 . PHE B 37 ? 0.1335 0.1386 0.1408 0.0055 -0.0022 0.0001 37 PHE B CE2 3955 C CZ . PHE B 37 ? 0.1321 0.1353 0.1385 0.0058 -0.0021 -0.0003 37 PHE B CZ 3965 N N . ARG B 38 ? 0.0930 0.0954 0.1005 0.0025 -0.0044 0.0000 38 ARG B N 3966 C CA . ARG B 38 ? 0.1036 0.1040 0.1102 0.0024 -0.0045 -0.0004 38 ARG B CA 3967 C C . ARG B 38 ? 0.1012 0.1010 0.1070 0.0032 -0.0043 -0.0006 38 ARG B C 3968 O O . ARG B 38 ? 0.1086 0.1092 0.1145 0.0036 -0.0046 -0.0004 38 ARG B O 3969 C CB . ARG B 38 ? 0.1398 0.1398 0.1465 0.0017 -0.0050 -0.0005 38 ARG B CB 3970 C CG . ARG B 38 ? 0.2141 0.2144 0.2216 0.0009 -0.0052 -0.0003 38 ARG B CG 3971 C CD . ARG B 38 ? 0.2161 0.2156 0.2236 0.0002 -0.0058 -0.0005 38 ARG B CD 3972 N NE . ARG B 38 ? 0.2070 0.2074 0.2156 -0.0005 -0.0060 -0.0001 38 ARG B NE 3973 C CZ . ARG B 38 ? 0.2285 0.2285 0.2373 -0.0010 -0.0058 0.0000 38 ARG B CZ 3974 N NH1 . ARG B 38 ? 0.2273 0.2259 0.2354 -0.0007 -0.0055 -0.0002 38 ARG B NH1 3975 N NH2 . ARG B 38 ? 0.2730 0.2739 0.2829 -0.0017 -0.0061 0.0005 38 ARG B NH2 3989 N N . ALA B 39 ? 0.0946 0.0928 0.0995 0.0035 -0.0040 -0.0009 39 ALA B N 3990 C CA . ALA B 39 ? 0.0948 0.0922 0.0988 0.0042 -0.0039 -0.0011 39 ALA B CA 3991 C C . ALA B 39 ? 0.1063 0.1020 0.1095 0.0040 -0.0039 -0.0015 39 ALA B C 3992 O O . ALA B 39 ? 0.0950 0.0899 0.0980 0.0036 -0.0037 -0.0016 39 ALA B O 3993 C CB . ALA B 39 ? 0.1114 0.1089 0.1153 0.0049 -0.0033 -0.0011 39 ALA B CB 3999 N N . TYR B 40 ? 0.0838 0.0788 0.0862 0.0044 -0.0040 -0.0015 40 TYR B N 4000 C CA . TYR B 40 ? 0.0997 0.0931 0.1012 0.0043 -0.0039 -0.0018 40 TYR B CA 4001 C C . TYR B 40 ? 0.0954 0.0883 0.0962 0.0051 -0.0038 -0.0018 40 TYR B C 4002 O O . TYR B 40 ? 0.0950 0.0885 0.0958 0.0053 -0.0041 -0.0016 40 TYR B O 4003 C CB . TYR B 40 ? 0.0973 0.0906 0.0988 0.0038 -0.0045 -0.0020 40 TYR B CB 4004 C CG . TYR B 40 ? 0.0747 0.0665 0.0754 0.0036 -0.0044 -0.0023 40 TYR B CG 4005 C CD1 . TYR B 40 ? 0.0847 0.0754 0.0849 0.0037 -0.0040 -0.0025 40 TYR B CD1 4006 C CD2 . TYR B 40 ? 0.0992 0.0908 0.0996 0.0033 -0.0049 -0.0025 40 TYR B CD2 4007 C CE1 . TYR B 40 ? 0.0941 0.0836 0.0936 0.0035 -0.0039 -0.0028 40 TYR B CE1 4008 C CE2 . TYR B 40 ? 0.0952 0.0856 0.0949 0.0032 -0.0048 -0.0029 40 TYR B CE2 4009 C CZ . TYR B 40 ? 0.0969 0.0863 0.0961 0.0033 -0.0044 -0.0030 40 TYR B CZ 4010 O OH . TYR B 40 ? 0.1094 0.0976 0.1079 0.0032 -0.0043 -0.0033 40 TYR B OH 4020 N N . SER B 41 ? 0.0854 0.0772 0.0857 0.0053 -0.0033 -0.0019 41 SER B N 4021 C CA . SER B 41 ? 0.0813 0.0723 0.0809 0.0060 -0.0030 -0.0019 41 SER B CA 4022 C C . SER B 41 ? 0.1120 0.1015 0.1109 0.0059 -0.0027 -0.0021 41 SER B C 4023 O O . SER B 41 ? 0.1322 0.1214 0.1312 0.0055 -0.0025 -0.0023 41 SER B O 4024 C CB . SER B 41 ? 0.1016 0.0932 0.1016 0.0066 -0.0027 -0.0017 41 SER B CB 4025 O OG . SER B 41 ? 0.1070 0.0977 0.1064 0.0073 -0.0024 -0.0017 41 SER B OG 4031 N N . ASP B 42 ? 0.0792 0.0678 0.0773 0.0063 -0.0027 -0.0021 42 ASP B N 4032 C CA . ASP B 42 ? 0.0892 0.0764 0.0867 0.0062 -0.0023 -0.0023 42 ASP B CA 4033 C C . ASP B 42 ? 0.0892 0.0757 0.0863 0.0069 -0.0019 -0.0021 42 ASP B C 4034 O O . ASP B 42 ? 0.1080 0.0933 0.1045 0.0069 -0.0016 -0.0022 42 ASP B O 4035 C CB . ASP B 42 ? 0.0983 0.0848 0.0951 0.0060 -0.0025 -0.0023 42 ASP B CB 4036 C CG . ASP B 42 ? 0.1251 0.1118 0.1215 0.0063 -0.0028 -0.0021 42 ASP B CG 4037 O OD1 . ASP B 42 ? 0.1171 0.1041 0.1136 0.0069 -0.0027 -0.0018 42 ASP B OD1 4038 O OD2 . ASP B 42 ? 0.1206 0.1072 0.1165 0.0060 -0.0030 -0.0022 42 ASP B OD2 4043 N N . LEU B 43 ? 0.0936 0.0808 0.0912 0.0073 -0.0018 -0.0020 43 LEU B N 4044 C CA . LEU B 43 ? 0.0972 0.0836 0.0945 0.0079 -0.0014 -0.0020 43 LEU B CA 4045 C C . LEU B 43 ? 0.0945 0.0802 0.0917 0.0076 -0.0010 -0.0023 43 LEU B C 4046 O O . LEU B 43 ? 0.1141 0.1005 0.1118 0.0072 -0.0010 -0.0025 43 LEU B O 4047 C CB . LEU B 43 ? 0.1027 0.0902 0.1006 0.0085 -0.0014 -0.0018 43 LEU B CB 4048 C CG . LEU B 43 ? 0.0978 0.0861 0.0958 0.0090 -0.0017 -0.0014 43 LEU B CG 4049 C CD1 . LEU B 43 ? 0.1065 0.0962 0.1054 0.0095 -0.0017 -0.0013 43 LEU B CD1 4050 C CD2 . LEU B 43 ? 0.1043 0.0915 0.1017 0.0095 -0.0016 -0.0012 43 LEU B CD2 4062 N N . SER B 44 ? 0.1219 0.1064 0.1186 0.0079 -0.0006 -0.0024 44 SER B N 4063 C CA . SER B 44 ? 0.1174 0.1011 0.1140 0.0077 -0.0002 -0.0028 44 SER B CA 4064 C C . SER B 44 ? 0.1182 0.1020 0.1151 0.0083 0.0001 -0.0029 44 SER B C 4065 O O . SER B 44 ? 0.1481 0.1319 0.1451 0.0081 0.0003 -0.0032 44 SER B O 4066 C CB . SER B 44 ? 0.1491 0.1314 0.1451 0.0075 0.0000 -0.0029 44 SER B CB 4067 O OG . SER B 44 ? 0.2114 0.1937 0.2072 0.0069 -0.0002 -0.0029 44 SER B OG 4073 N N . ARG B 45 ? 0.1148 0.0986 0.1116 0.0090 0.0000 -0.0026 45 ARG B N 4074 C CA . ARG B 45 ? 0.0941 0.0779 0.0912 0.0097 0.0003 -0.0027 45 ARG B CA 4075 C C . ARG B 45 ? 0.1205 0.1060 0.1183 0.0097 0.0003 -0.0028 45 ARG B C 4076 O O . ARG B 45 ? 0.1356 0.1222 0.1337 0.0093 -0.0001 -0.0026 45 ARG B O 4077 C CB . ARG B 45 ? 0.1247 0.1081 0.1216 0.0105 0.0003 -0.0023 45 ARG B CB 4078 C CG . ARG B 45 ? 0.1090 0.0937 0.1063 0.0107 -0.0002 -0.0019 45 ARG B CG 4079 C CD . ARG B 45 ? 0.1272 0.1119 0.1246 0.0116 -0.0002 -0.0015 45 ARG B CD 4080 N NE . ARG B 45 ? 0.1251 0.1109 0.1227 0.0118 -0.0006 -0.0010 45 ARG B NE 4081 C CZ . ARG B 45 ? 0.1092 0.0968 0.1076 0.0118 -0.0009 -0.0009 45 ARG B CZ 4082 N NH1 . ARG B 45 ? 0.1068 0.0953 0.1057 0.0118 -0.0007 -0.0012 45 ARG B NH1 4083 N NH2 . ARG B 45 ? 0.1211 0.1096 0.1196 0.0119 -0.0014 -0.0005 45 ARG B NH2 4097 N N . ALA B 46 ? 0.1223 0.1080 0.1203 0.0103 0.0006 -0.0030 46 ALA B N 4098 C CA . ALA B 46 ? 0.1347 0.1221 0.1334 0.0104 0.0006 -0.0030 46 ALA B CA 4099 C C . ALA B 46 ? 0.1253 0.1140 0.1246 0.0108 0.0002 -0.0025 46 ALA B C 4100 O O . ALA B 46 ? 0.1235 0.1118 0.1226 0.0113 0.0001 -0.0022 46 ALA B O 4101 C CB . ALA B 46 ? 0.1462 0.1335 0.1450 0.0111 0.0010 -0.0034 46 ALA B CB 4107 N N . TYR B 47 ? 0.1097 0.1002 0.1097 0.0106 0.0001 -0.0024 47 TYR B N 4108 C CA . TYR B 47 ? 0.1063 0.0983 0.1069 0.0109 -0.0003 -0.0020 47 TYR B CA 4109 C C . TYR B 47 ? 0.1011 0.0950 0.1026 0.0108 -0.0003 -0.0019 47 TYR B C 4110 O O . TYR B 47 ? 0.1158 0.1100 0.1174 0.0102 -0.0001 -0.0022 47 TYR B O 4111 C CB . TYR B 47 ? 0.1180 0.1101 0.1186 0.0103 -0.0008 -0.0017 47 TYR B CB 4112 C CG . TYR B 47 ? 0.1009 0.0929 0.1014 0.0093 -0.0010 -0.0018 47 TYR B CG 4113 C CD1 . TYR B 47 ? 0.0999 0.0934 0.1011 0.0088 -0.0012 -0.0017 47 TYR B CD1 4114 C CD2 . TYR B 47 ? 0.0970 0.0874 0.0967 0.0089 -0.0009 -0.0021 47 TYR B CD2 4115 C CE1 . TYR B 47 ? 0.1135 0.1068 0.1146 0.0080 -0.0014 -0.0018 47 TYR B CE1 4116 C CE2 . TYR B 47 ? 0.0984 0.0887 0.0981 0.0081 -0.0011 -0.0022 47 TYR B CE2 4117 C CZ . TYR B 47 ? 0.0973 0.0891 0.0978 0.0076 -0.0013 -0.0021 47 TYR B CZ 4118 O OH . TYR B 47 ? 0.1374 0.1290 0.1378 0.0068 -0.0015 -0.0022 47 TYR B OH 4128 N N . SER B 48 ? 0.0899 0.0853 0.0921 0.0113 -0.0004 -0.0016 48 SER B N 4129 C CA . SER B 48 ? 0.0845 0.0819 0.0875 0.0112 -0.0005 -0.0014 48 SER B CA 4130 C C . SER B 48 ? 0.0942 0.0926 0.0977 0.0103 -0.0010 -0.0011 48 SER B C 4131 O O . SER B 48 ? 0.1100 0.1082 0.1133 0.0102 -0.0015 -0.0009 48 SER B O 4132 C CB . SER B 48 ? 0.1215 0.1202 0.1252 0.0121 -0.0004 -0.0012 48 SER B CB 4133 O OG . SER B 48 ? 0.1251 0.1259 0.1297 0.0120 -0.0004 -0.0010 48 SER B OG 4139 N N . LEU B 49 ? 0.0718 0.0712 0.0757 0.0097 -0.0010 -0.0012 49 LEU B N 4140 C CA . LEU B 49 ? 0.0920 0.0925 0.0965 0.0089 -0.0015 -0.0009 49 LEU B CA 4141 C C . LEU B 49 ? 0.0747 0.0775 0.0804 0.0091 -0.0017 -0.0004 49 LEU B C 4142 O O . LEU B 49 ? 0.1032 0.1069 0.1093 0.0087 -0.0022 -0.0001 49 LEU B O 4143 C CB . LEU B 49 ? 0.1035 0.1037 0.1080 0.0080 -0.0014 -0.0010 49 LEU B CB 4144 C CG . LEU B 49 ? 0.1305 0.1288 0.1341 0.0077 -0.0014 -0.0013 49 LEU B CG 4145 C CD1 . LEU B 49 ? 0.1842 0.1822 0.1877 0.0071 -0.0012 -0.0015 49 LEU B CD1 4146 C CD2 . LEU B 49 ? 0.1458 0.1438 0.1493 0.0072 -0.0020 -0.0012 49 LEU B CD2 4158 N N . PHE B 50 ? 0.0692 0.0730 0.0752 0.0096 -0.0012 -0.0005 50 PHE B N 4159 C CA . PHE B 50 ? 0.0658 0.0720 0.0730 0.0097 -0.0013 -0.0001 50 PHE B CA 4160 C C . PHE B 50 ? 0.0701 0.0769 0.0773 0.0108 -0.0007 -0.0002 50 PHE B C 4161 O O . PHE B 50 ? 0.0882 0.0945 0.0951 0.0109 -0.0003 -0.0006 50 PHE B O 4162 C CB . PHE B 50 ? 0.0809 0.0882 0.0886 0.0088 -0.0014 0.0001 50 PHE B CB 4163 C CG . PHE B 50 ? 0.0715 0.0814 0.0804 0.0088 -0.0015 0.0006 50 PHE B CG 4164 C CD1 . PHE B 50 ? 0.0865 0.0978 0.0958 0.0093 -0.0010 0.0006 50 PHE B CD1 4165 C CD2 . PHE B 50 ? 0.0804 0.0913 0.0900 0.0082 -0.0021 0.0010 50 PHE B CD2 4166 C CE1 . PHE B 50 ? 0.1059 0.1196 0.1164 0.0093 -0.0010 0.0010 50 PHE B CE1 4167 C CE2 . PHE B 50 ? 0.0882 0.1016 0.0990 0.0081 -0.0022 0.0015 50 PHE B CE2 4168 C CZ . PHE B 50 ? 0.0874 0.1021 0.0986 0.0086 -0.0016 0.0015 50 PHE B CZ 4178 N N . SER B 51 ? 0.0655 0.0731 0.0732 0.0116 -0.0008 0.0001 51 SER B N 4179 C CA . SER B 51 ? 0.0818 0.0897 0.0895 0.0127 -0.0003 -0.0001 51 SER B CA 4180 C C . SER B 51 ? 0.0769 0.0876 0.0859 0.0130 -0.0003 0.0003 51 SER B C 4181 O O . SER B 51 ? 0.0925 0.1043 0.1021 0.0130 -0.0008 0.0008 51 SER B O 4182 C CB . SER B 51 ? 0.0757 0.0822 0.0829 0.0135 -0.0004 -0.0001 51 SER B CB 4183 O OG . SER B 51 ? 0.0800 0.0869 0.0874 0.0147 0.0000 -0.0002 51 SER B OG 4189 N N . TYR B 52 ? 0.0786 0.0903 0.0878 0.0133 0.0002 0.0001 52 TYR B N 4190 C CA . TYR B 52 ? 0.0775 0.0919 0.0879 0.0136 0.0003 0.0005 52 TYR B CA 4191 C C . TYR B 52 ? 0.0734 0.0879 0.0837 0.0149 0.0010 0.0002 52 TYR B C 4192 O O . TYR B 52 ? 0.0909 0.1046 0.1006 0.0150 0.0015 -0.0004 52 TYR B O 4193 C CB . TYR B 52 ? 0.0896 0.1053 0.1004 0.0126 0.0003 0.0007 52 TYR B CB 4194 C CG . TYR B 52 ? 0.0789 0.0973 0.0908 0.0126 0.0005 0.0010 52 TYR B CG 4195 C CD1 . TYR B 52 ? 0.0946 0.1147 0.1074 0.0116 0.0001 0.0016 52 TYR B CD1 4196 C CD2 . TYR B 52 ? 0.0903 0.1097 0.1023 0.0136 0.0012 0.0008 52 TYR B CD2 4197 C CE1 . TYR B 52 ? 0.1038 0.1265 0.1177 0.0116 0.0003 0.0020 52 TYR B CE1 4198 C CE2 . TYR B 52 ? 0.1027 0.1248 0.1157 0.0136 0.0014 0.0011 52 TYR B CE2 4199 C CZ . TYR B 52 ? 0.1205 0.1442 0.1344 0.0126 0.0010 0.0018 52 TYR B CZ 4200 O OH . TYR B 52 ? 0.1409 0.1673 0.1559 0.0124 0.0012 0.0022 52 TYR B OH 4210 N N . ASN B 53 ? 0.0801 0.0954 0.0909 0.0159 0.0010 0.0004 53 ASN B N 4211 C CA . ASN B 53 ? 0.0933 0.1088 0.1042 0.0172 0.0015 0.0001 53 ASN B CA 4212 C C . ASN B 53 ? 0.0806 0.0991 0.0928 0.0177 0.0016 0.0006 53 ASN B C 4213 O O . ASN B 53 ? 0.0990 0.1191 0.1120 0.0172 0.0011 0.0012 53 ASN B O 4214 C CB . ASN B 53 ? 0.0895 0.1031 0.0998 0.0181 0.0015 0.0001 53 ASN B CB 4215 C CG . ASN B 53 ? 0.0851 0.0959 0.0942 0.0181 0.0017 -0.0005 53 ASN B CG 4216 O OD1 . ASN B 53 ? 0.1070 0.1170 0.1155 0.0172 0.0018 -0.0009 53 ASN B OD1 4217 N ND2 . ASN B 53 ? 0.0851 0.0943 0.0937 0.0190 0.0018 -0.0007 53 ASN B ND2 4224 N N . THR B 54 ? 0.0926 0.1119 0.1050 0.0186 0.0023 0.0003 54 THR B N 4225 C CA . THR B 54 ? 0.0892 0.1114 0.1028 0.0193 0.0024 0.0007 54 THR B CA 4226 C C . THR B 54 ? 0.0874 0.1092 0.1011 0.0209 0.0028 0.0005 54 THR B C 4227 O O . THR B 54 ? 0.1092 0.1284 0.1219 0.0214 0.0030 0.0000 54 THR B O 4228 C CB . THR B 54 ? 0.1034 0.1275 0.1175 0.0189 0.0029 0.0006 54 THR B CB 4229 O OG1 . THR B 54 ? 0.1469 0.1697 0.1600 0.0193 0.0035 -0.0002 54 THR B OG1 4230 C CG2 . THR B 54 ? 0.1258 0.1504 0.1400 0.0173 0.0024 0.0010 54 THR B CG2 4238 N N . GLN B 55 ? 0.1185 0.1427 0.1333 0.0217 0.0030 0.0009 55 GLN B N 4239 C CA . GLN B 55 ? 0.1299 0.1539 0.1449 0.0233 0.0033 0.0008 55 GLN B CA 4240 C C . GLN B 55 ? 0.0950 0.1173 0.1091 0.0241 0.0040 -0.0001 55 GLN B C 4241 O O . GLN B 55 ? 0.1416 0.1651 0.1558 0.0240 0.0046 -0.0005 55 GLN B O 4242 C CB . GLN B 55 ? 0.1549 0.1821 0.1713 0.0240 0.0033 0.0013 55 GLN B CB 4243 C CG . GLN B 55 ? 0.2197 0.2468 0.2365 0.0257 0.0036 0.0013 55 GLN B CG 4244 C CD . GLN B 55 ? 0.2799 0.3048 0.2962 0.0261 0.0032 0.0015 55 GLN B CD 4245 O OE1 . GLN B 55 ? 0.3542 0.3796 0.3709 0.0254 0.0024 0.0022 55 GLN B OE1 4246 N NE2 . GLN B 55 ? 0.4657 0.4883 0.4812 0.0271 0.0036 0.0010 55 GLN B NE2 4255 N N . GLY B 56 ? 0.1011 0.1208 0.1143 0.0248 0.0041 -0.0005 56 GLY B N 4256 C CA . GLY B 56 ? 0.1098 0.1276 0.1222 0.0255 0.0048 -0.0014 56 GLY B CA 4257 C C . GLY B 56 ? 0.1231 0.1393 0.1343 0.0245 0.0049 -0.0021 56 GLY B C 4258 O O . GLY B 56 ? 0.1539 0.1687 0.1644 0.0250 0.0055 -0.0029 56 GLY B O 4262 N N . ARG B 57 ? 0.1045 0.1208 0.1156 0.0230 0.0044 -0.0017 57 ARG B N 4263 C CA A ARG B 57 ? 0.0979 0.1129 0.1081 0.0220 0.0045 -0.0022 57 ARG B CA 4264 C CA B ARG B 57 ? 0.1043 0.1194 0.1145 0.0220 0.0045 -0.0022 57 ARG B CA 4265 C C . ARG B 57 ? 0.1070 0.1200 0.1165 0.0209 0.0039 -0.0020 57 ARG B C 4266 O O . ARG B 57 ? 0.1379 0.1520 0.1479 0.0200 0.0034 -0.0014 57 ARG B O 4267 C CB A ARG B 57 ? 0.1027 0.1201 0.1134 0.0213 0.0047 -0.0021 57 ARG B CB 4268 C CB B ARG B 57 ? 0.1222 0.1399 0.1330 0.0211 0.0046 -0.0020 57 ARG B CB 4269 C CG A ARG B 57 ? 0.1176 0.1366 0.1286 0.0223 0.0055 -0.0026 57 ARG B CG 4270 C CG B ARG B 57 ? 0.1430 0.1630 0.1544 0.0220 0.0052 -0.0021 57 ARG B CG 4271 C CD A ARG B 57 ? 0.2059 0.2229 0.2156 0.0226 0.0060 -0.0036 57 ARG B CD 4272 C CD B ARG B 57 ? 0.1874 0.2064 0.1979 0.0223 0.0059 -0.0031 57 ARG B CD 4273 N NE A ARG B 57 ? 0.3028 0.3211 0.3127 0.0236 0.0068 -0.0042 57 ARG B NE 4274 N NE B ARG B 57 ? 0.3077 0.3294 0.3188 0.0227 0.0065 -0.0032 57 ARG B NE 4275 C CZ A ARG B 57 ? 0.3771 0.3984 0.3879 0.0239 0.0071 -0.0039 57 ARG B CZ 4276 C CZ B ARG B 57 ? 0.3643 0.3866 0.3756 0.0241 0.0071 -0.0036 57 ARG B CZ 4277 N NH1 A ARG B 57 ? 0.3777 0.4012 0.3895 0.0230 0.0067 -0.0030 57 ARG B NH1 4278 N NH1 B ARG B 57 ? 0.4128 0.4332 0.4238 0.0252 0.0072 -0.0040 57 ARG B NH1 4279 N NH2 A ARG B 57 ? 0.3501 0.3722 0.3609 0.0249 0.0078 -0.0045 57 ARG B NH2 4280 N NH2 B ARG B 57 ? 0.3137 0.3385 0.3255 0.0244 0.0076 -0.0037 57 ARG B NH2 4307 N N . ASP B 58 ? 0.0943 0.1046 0.1027 0.0210 0.0040 -0.0026 58 ASP B N 4308 C CA . ASP B 58 ? 0.1124 0.1207 0.1201 0.0201 0.0036 -0.0025 58 ASP B CA 4309 C C . ASP B 58 ? 0.0924 0.1006 0.0996 0.0188 0.0036 -0.0028 58 ASP B C 4310 O O . ASP B 58 ? 0.1092 0.1180 0.1162 0.0189 0.0041 -0.0032 58 ASP B O 4311 C CB . ASP B 58 ? 0.1227 0.1281 0.1295 0.0206 0.0037 -0.0030 58 ASP B CB 4312 C CG . ASP B 58 ? 0.1060 0.1094 0.1121 0.0198 0.0032 -0.0027 58 ASP B CG 4313 O OD1 . ASP B 58 ? 0.1020 0.1064 0.1086 0.0192 0.0027 -0.0021 58 ASP B OD1 4314 O OD2 . ASP B 58 ? 0.1238 0.1248 0.1289 0.0197 0.0034 -0.0032 58 ASP B OD2 4319 N N . ASN B 59 ? 0.0982 0.1057 0.1052 0.0178 0.0030 -0.0024 59 ASN B N 4320 C CA . ASN B 59 ? 0.0948 0.1019 0.1012 0.0166 0.0030 -0.0026 59 ASN B CA 4321 C C . ASN B 59 ? 0.0915 0.1009 0.0985 0.0162 0.0032 -0.0026 59 ASN B C 4322 O O . ASN B 59 ? 0.0960 0.1052 0.1026 0.0159 0.0035 -0.0030 59 ASN B O 4323 C CB . ASN B 59 ? 0.1074 0.1120 0.1127 0.0166 0.0033 -0.0034 59 ASN B CB 4324 C CG . ASN B 59 ? 0.0989 0.1012 0.1036 0.0169 0.0031 -0.0034 59 ASN B CG 4325 O OD1 . ASN B 59 ? 0.0960 0.0985 0.1011 0.0169 0.0026 -0.0028 59 ASN B OD1 4326 N ND2 . ASN B 59 ? 0.1170 0.1171 0.1208 0.0171 0.0034 -0.0040 59 ASN B ND2 4333 N N . GLU B 60 ? 0.0834 0.0951 0.0915 0.0163 0.0030 -0.0020 60 GLU B N 4334 C CA . GLU B 60 ? 0.0879 0.1021 0.0968 0.0160 0.0032 -0.0018 60 GLU B CA 4335 C C . GLU B 60 ? 0.0815 0.0957 0.0903 0.0146 0.0029 -0.0015 60 GLU B C 4336 O O . GLU B 60 ? 0.0945 0.1096 0.1032 0.0141 0.0032 -0.0016 60 GLU B O 4337 C CB . GLU B 60 ? 0.0986 0.1153 0.1087 0.0165 0.0031 -0.0011 60 GLU B CB 4338 C CG . GLU B 60 ? 0.0903 0.1098 0.1013 0.0163 0.0034 -0.0009 60 GLU B CG 4339 C CD . GLU B 60 ? 0.1146 0.1345 0.1252 0.0170 0.0042 -0.0015 60 GLU B CD 4340 O OE1 . GLU B 60 ? 0.1250 0.1432 0.1348 0.0179 0.0045 -0.0022 60 GLU B OE1 4341 O OE2 . GLU B 60 ? 0.1199 0.1418 0.1309 0.0166 0.0044 -0.0013 60 GLU B OE2 4348 N N . LEU B 61 ? 0.0880 0.1013 0.0967 0.0139 0.0023 -0.0012 61 LEU B N 4349 C CA . LEU B 61 ? 0.0885 0.1012 0.0970 0.0126 0.0019 -0.0010 61 LEU B CA 4350 C C . LEU B 61 ? 0.1004 0.1110 0.1083 0.0124 0.0015 -0.0011 61 LEU B C 4351 O O . LEU B 61 ? 0.1145 0.1253 0.1228 0.0126 0.0011 -0.0007 61 LEU B O 4352 C CB . LEU B 61 ? 0.0971 0.1122 0.1067 0.0119 0.0016 -0.0003 61 LEU B CB 4353 C CG . LEU B 61 ? 0.0967 0.1118 0.1063 0.0106 0.0013 0.0000 61 LEU B CG 4354 C CD1 . LEU B 61 ? 0.1130 0.1305 0.1239 0.0100 0.0010 0.0007 61 LEU B CD1 4355 C CD2 . LEU B 61 ? 0.1348 0.1478 0.1439 0.0100 0.0007 -0.0001 61 LEU B CD2 4367 N N . LEU B 62 ? 0.0783 0.0868 0.0852 0.0121 0.0016 -0.0015 62 LEU B N 4368 C CA . LEU B 62 ? 0.0675 0.0739 0.0737 0.0119 0.0012 -0.0016 62 LEU B CA 4369 C C . LEU B 62 ? 0.0877 0.0928 0.0933 0.0109 0.0011 -0.0017 62 LEU B C 4370 O O . LEU B 62 ? 0.0957 0.1004 0.1008 0.0108 0.0014 -0.0021 62 LEU B O 4371 C CB . LEU B 62 ? 0.0821 0.0868 0.0876 0.0129 0.0016 -0.0021 62 LEU B CB 4372 C CG . LEU B 62 ? 0.0792 0.0815 0.0839 0.0128 0.0013 -0.0022 62 LEU B CG 4373 C CD1 . LEU B 62 ? 0.1003 0.1027 0.1053 0.0127 0.0008 -0.0017 62 LEU B CD1 4374 C CD2 . LEU B 62 ? 0.0987 0.0994 0.1028 0.0137 0.0018 -0.0027 62 LEU B CD2 4386 N N . VAL B 63 ? 0.0734 0.0780 0.0791 0.0103 0.0005 -0.0014 63 VAL B N 4387 C CA . VAL B 63 ? 0.0816 0.0848 0.0867 0.0094 0.0004 -0.0016 63 VAL B CA 4388 C C . VAL B 63 ? 0.0931 0.0941 0.0974 0.0096 0.0003 -0.0018 63 VAL B C 4389 O O . VAL B 63 ? 0.0977 0.0986 0.1021 0.0099 -0.0001 -0.0016 63 VAL B O 4390 C CB . VAL B 63 ? 0.0754 0.0794 0.0811 0.0084 -0.0002 -0.0011 63 VAL B CB 4391 C CG1 . VAL B 63 ? 0.0897 0.0923 0.0949 0.0076 -0.0003 -0.0013 63 VAL B CG1 4392 C CG2 . VAL B 63 ? 0.1064 0.1126 0.1130 0.0082 -0.0001 -0.0008 63 VAL B CG2 4402 N N . TYR B 64 ? 0.0736 0.0731 0.0771 0.0096 0.0006 -0.0023 64 TYR B N 4403 C CA . TYR B 64 ? 0.0920 0.0894 0.0946 0.0100 0.0006 -0.0025 64 TYR B CA 4404 C C . TYR B 64 ? 0.1068 0.1028 0.1088 0.0093 0.0006 -0.0028 64 TYR B C 4405 O O . TYR B 64 ? 0.1074 0.1034 0.1093 0.0088 0.0008 -0.0030 64 TYR B O 4406 C CB . TYR B 64 ? 0.1148 0.1117 0.1171 0.0109 0.0011 -0.0030 64 TYR B CB 4407 C CG . TYR B 64 ? 0.0966 0.0917 0.0983 0.0115 0.0012 -0.0031 64 TYR B CG 4408 C CD1 . TYR B 64 ? 0.1105 0.1059 0.1126 0.0121 0.0010 -0.0027 64 TYR B CD1 4409 C CD2 . TYR B 64 ? 0.1296 0.1228 0.1305 0.0114 0.0014 -0.0035 64 TYR B CD2 4410 C CE1 . TYR B 64 ? 0.1112 0.1050 0.1128 0.0126 0.0010 -0.0027 64 TYR B CE1 4411 C CE2 . TYR B 64 ? 0.1226 0.1141 0.1229 0.0119 0.0015 -0.0036 64 TYR B CE2 4412 C CZ . TYR B 64 ? 0.1216 0.1134 0.1223 0.0125 0.0013 -0.0032 64 TYR B CZ 4413 O OH . TYR B 64 ? 0.1531 0.1433 0.1533 0.0131 0.0013 -0.0031 64 TYR B OH 4423 N N . LYS B 65 ? 0.0896 0.0843 0.0912 0.0091 0.0003 -0.0027 65 LYS B N 4424 C CA . LYS B 65 ? 0.0916 0.0848 0.0925 0.0085 0.0003 -0.0029 65 LYS B CA 4425 C C . LYS B 65 ? 0.1080 0.0994 0.1081 0.0089 0.0006 -0.0033 65 LYS B C 4426 O O . LYS B 65 ? 0.1206 0.1112 0.1205 0.0093 0.0005 -0.0032 65 LYS B O 4427 C CB . LYS B 65 ? 0.1272 0.1201 0.1282 0.0080 -0.0002 -0.0026 65 LYS B CB 4428 C CG . LYS B 65 ? 0.1333 0.1251 0.1338 0.0073 -0.0003 -0.0028 65 LYS B CG 4429 C CD . LYS B 65 ? 0.1617 0.1544 0.1626 0.0066 -0.0004 -0.0027 65 LYS B CD 4430 C CE . LYS B 65 ? 0.1812 0.1727 0.1817 0.0060 -0.0004 -0.0029 65 LYS B CE 4431 N NZ . LYS B 65 ? 0.1956 0.1863 0.1958 0.0058 -0.0007 -0.0028 65 LYS B NZ 4445 N N . GLU B 66 ? 0.1469 0.1379 0.1468 0.0087 0.0009 -0.0037 66 GLU B N 4446 C CA . GLU B 66 ? 0.1626 0.1519 0.1617 0.0091 0.0013 -0.0041 66 GLU B CA 4447 C C . GLU B 66 ? 0.1289 0.1165 0.1274 0.0087 0.0011 -0.0041 66 GLU B C 4448 O O . GLU B 66 ? 0.1540 0.1403 0.1521 0.0091 0.0013 -0.0042 66 GLU B O 4449 C CB . GLU B 66 ? 0.1622 0.1516 0.1611 0.0088 0.0016 -0.0046 66 GLU B CB 4450 C CG . GLU B 66 ? 0.1798 0.1709 0.1792 0.0092 0.0018 -0.0046 66 GLU B CG 4451 C CD . GLU B 66 ? 0.1619 0.1531 0.1614 0.0102 0.0021 -0.0048 66 GLU B CD 4452 O OE1 . GLU B 66 ? 0.1818 0.1715 0.1809 0.0106 0.0022 -0.0049 66 GLU B OE1 4453 O OE2 . GLU B 66 ? 0.1894 0.1821 0.1894 0.0106 0.0023 -0.0048 66 GLU B OE2 4460 N N . ARG B 67 ? 0.1275 0.1153 0.1260 0.0080 0.0009 -0.0040 67 ARG B N 4461 C CA . ARG B 67 ? 0.1225 0.1090 0.1205 0.0075 0.0008 -0.0040 67 ARG B CA 4462 C C . ARG B 67 ? 0.1535 0.1407 0.1519 0.0067 0.0005 -0.0039 67 ARG B C 4463 O O . ARG B 67 ? 0.1220 0.1106 0.1209 0.0066 0.0005 -0.0038 67 ARG B O 4464 C CB . ARG B 67 ? 0.1320 0.1171 0.1294 0.0074 0.0012 -0.0044 67 ARG B CB 4465 C CG . ARG B 67 ? 0.1800 0.1657 0.1775 0.0071 0.0014 -0.0048 67 ARG B CG 4466 C CD . ARG B 67 ? 0.2419 0.2263 0.2388 0.0070 0.0017 -0.0053 67 ARG B CD 4467 N NE . ARG B 67 ? 0.2876 0.2710 0.2842 0.0077 0.0019 -0.0055 67 ARG B NE 4468 C CZ . ARG B 67 ? 0.3237 0.3074 0.3204 0.0083 0.0022 -0.0057 67 ARG B CZ 4469 N NH1 . ARG B 67 ? 0.3752 0.3604 0.3722 0.0083 0.0023 -0.0059 67 ARG B NH1 4470 N NH2 . ARG B 67 ? 0.4136 0.3962 0.4100 0.0089 0.0024 -0.0059 67 ARG B NH2 4484 N N . VAL B 68 ? 0.1320 0.1184 0.1301 0.0063 0.0004 -0.0038 68 VAL B N 4485 C CA . VAL B 68 ? 0.1152 0.1021 0.1136 0.0056 0.0001 -0.0037 68 VAL B CA 4486 C C . VAL B 68 ? 0.1212 0.1087 0.1198 0.0053 0.0003 -0.0039 68 VAL B C 4487 O O . VAL B 68 ? 0.1547 0.1417 0.1529 0.0053 0.0006 -0.0042 68 VAL B O 4488 C CB A VAL B 68 ? 0.1579 0.1436 0.1558 0.0052 0.0001 -0.0037 68 VAL B CB 4489 C CB B VAL B 68 ? 0.1422 0.1278 0.1400 0.0053 0.0000 -0.0037 68 VAL B CB 4490 C CG1 A VAL B 68 ? 0.1581 0.1440 0.1562 0.0045 0.0000 -0.0038 68 VAL B CG1 4491 C CG1 B VAL B 68 ? 0.1640 0.1486 0.1614 0.0052 0.0004 -0.0040 68 VAL B CG1 4492 C CG2 A VAL B 68 ? 0.1378 0.1232 0.1356 0.0053 -0.0002 -0.0035 68 VAL B CG2 4493 C CG2 B VAL B 68 ? 0.1747 0.1609 0.1730 0.0046 -0.0002 -0.0036 68 VAL B CG2 4510 N N . GLY B 69 ? 0.1216 0.1104 0.1208 0.0049 0.0001 -0.0036 69 GLY B N 4511 C CA . GLY B 69 ? 0.1452 0.1348 0.1447 0.0045 0.0002 -0.0036 69 GLY B CA 4512 C C . GLY B 69 ? 0.1534 0.1440 0.1531 0.0049 0.0005 -0.0038 69 GLY B C 4513 O O . GLY B 69 ? 0.1681 0.1593 0.1678 0.0046 0.0006 -0.0038 69 GLY B O 4517 N N . GLU B 70 ? 0.1107 0.1014 0.1103 0.0056 0.0006 -0.0038 70 GLU B N 4518 C CA . GLU B 70 ? 0.1156 0.1072 0.1153 0.0060 0.0009 -0.0040 70 GLU B CA 4519 C C . GLU B 70 ? 0.1042 0.0970 0.1045 0.0065 0.0008 -0.0037 70 GLU B C 4520 O O . GLU B 70 ? 0.1302 0.1225 0.1305 0.0070 0.0007 -0.0036 70 GLU B O 4521 C CB . GLU B 70 ? 0.1520 0.1424 0.1511 0.0065 0.0013 -0.0045 70 GLU B CB 4522 C CG . GLU B 70 ? 0.1910 0.1802 0.1895 0.0061 0.0014 -0.0048 70 GLU B CG 4523 C CD . GLU B 70 ? 0.2750 0.2631 0.2728 0.0065 0.0018 -0.0054 70 GLU B CD 4524 O OE1 . GLU B 70 ? 0.2557 0.2437 0.2535 0.0072 0.0019 -0.0055 70 GLU B OE1 4525 O OE2 . GLU B 70 ? 0.3470 0.3342 0.3444 0.0061 0.0019 -0.0057 70 GLU B OE2 4532 N N . TYR B 71 ? 0.0969 0.0914 0.0978 0.0064 0.0008 -0.0035 71 TYR B N 4533 C CA . TYR B 71 ? 0.0853 0.0812 0.0869 0.0067 0.0007 -0.0032 71 TYR B CA 4534 C C . TYR B 71 ? 0.0736 0.0706 0.0753 0.0073 0.0012 -0.0034 71 TYR B C 4535 O O . TYR B 71 ? 0.1093 0.1068 0.1109 0.0070 0.0014 -0.0036 71 TYR B O 4536 C CB . TYR B 71 ? 0.1006 0.0979 0.1030 0.0061 0.0004 -0.0026 71 TYR B CB 4537 C CG . TYR B 71 ? 0.1131 0.1094 0.1154 0.0056 -0.0001 -0.0025 71 TYR B CG 4538 C CD1 . TYR B 71 ? 0.1257 0.1223 0.1284 0.0057 -0.0004 -0.0022 71 TYR B CD1 4539 C CD2 . TYR B 71 ? 0.1036 0.0989 0.1056 0.0050 -0.0001 -0.0026 71 TYR B CD2 4540 C CE1 . TYR B 71 ? 0.1312 0.1270 0.1338 0.0053 -0.0008 -0.0021 71 TYR B CE1 4541 C CE2 . TYR B 71 ? 0.1120 0.1065 0.1140 0.0046 -0.0005 -0.0024 71 TYR B CE2 4542 C CZ . TYR B 71 ? 0.1363 0.1310 0.1385 0.0048 -0.0008 -0.0022 71 TYR B CZ 4543 O OH . TYR B 71 ? 0.1560 0.1499 0.1581 0.0044 -0.0012 -0.0022 71 TYR B OH 4553 N N . SER B 72 ? 0.0876 0.0850 0.0895 0.0081 0.0013 -0.0033 72 SER B N 4554 C CA . SER B 72 ? 0.0879 0.0864 0.0900 0.0087 0.0017 -0.0036 72 SER B CA 4555 C C . SER B 72 ? 0.0898 0.0903 0.0927 0.0089 0.0016 -0.0031 72 SER B C 4556 O O . SER B 72 ? 0.0953 0.0960 0.0987 0.0089 0.0012 -0.0027 72 SER B O 4557 C CB . SER B 72 ? 0.1072 0.1044 0.1087 0.0096 0.0020 -0.0040 72 SER B CB 4558 O OG . SER B 72 ? 0.1281 0.1235 0.1288 0.0094 0.0022 -0.0045 72 SER B OG 4564 N N . LEU B 73 ? 0.0819 0.0839 0.0851 0.0091 0.0019 -0.0032 73 LEU B N 4565 C CA . LEU B 73 ? 0.0973 0.1015 0.1015 0.0094 0.0020 -0.0028 73 LEU B CA 4566 C C . LEU B 73 ? 0.0879 0.0924 0.0919 0.0104 0.0025 -0.0032 73 LEU B C 4567 O O . LEU B 73 ? 0.1032 0.1075 0.1067 0.0105 0.0029 -0.0037 73 LEU B O 4568 C CB . LEU B 73 ? 0.1070 0.1129 0.1117 0.0087 0.0019 -0.0023 73 LEU B CB 4569 C CG . LEU B 73 ? 0.0993 0.1077 0.1051 0.0090 0.0020 -0.0019 73 LEU B CG 4570 C CD1 . LEU B 73 ? 0.1256 0.1345 0.1321 0.0090 0.0015 -0.0014 73 LEU B CD1 4571 C CD2 . LEU B 73 ? 0.1119 0.1221 0.1182 0.0084 0.0021 -0.0015 73 LEU B CD2 4583 N N . TYR B 74 ? 0.0800 0.0851 0.0845 0.0112 0.0025 -0.0031 74 TYR B N 4584 C CA . TYR B 74 ? 0.0804 0.0863 0.0850 0.0122 0.0030 -0.0034 74 TYR B CA 4585 C C . TYR B 74 ? 0.0689 0.0774 0.0744 0.0123 0.0030 -0.0029 74 TYR B C 4586 O O . TYR B 74 ? 0.0859 0.0955 0.0922 0.0120 0.0026 -0.0023 74 TYR B O 4587 C CB . TYR B 74 ? 0.1022 0.1070 0.1067 0.0132 0.0030 -0.0035 74 TYR B CB 4588 C CG . TYR B 74 ? 0.1150 0.1171 0.1185 0.0134 0.0031 -0.0040 74 TYR B CG 4589 C CD1 . TYR B 74 ? 0.1176 0.1182 0.1207 0.0126 0.0027 -0.0039 74 TYR B CD1 4590 C CD2 . TYR B 74 ? 0.1212 0.1224 0.1242 0.0143 0.0035 -0.0046 74 TYR B CD2 4591 C CE1 . TYR B 74 ? 0.1191 0.1174 0.1214 0.0128 0.0027 -0.0043 74 TYR B CE1 4592 C CE2 . TYR B 74 ? 0.1437 0.1424 0.1459 0.0144 0.0036 -0.0050 74 TYR B CE2 4593 C CZ . TYR B 74 ? 0.1316 0.1290 0.1334 0.0136 0.0032 -0.0049 74 TYR B CZ 4594 O OH . TYR B 74 ? 0.1691 0.1641 0.1701 0.0137 0.0032 -0.0052 74 TYR B OH 4604 N N . ILE B 75 ? 0.0902 0.1000 0.0957 0.0127 0.0036 -0.0032 75 ILE B N 4605 C CA . ILE B 75 ? 0.0894 0.1019 0.0959 0.0130 0.0038 -0.0028 75 ILE B CA 4606 C C . ILE B 75 ? 0.1067 0.1193 0.1130 0.0142 0.0044 -0.0034 75 ILE B C 4607 O O . ILE B 75 ? 0.1044 0.1163 0.1099 0.0145 0.0048 -0.0041 75 ILE B O 4608 C CB . ILE B 75 ? 0.0880 0.1021 0.0947 0.0122 0.0039 -0.0026 75 ILE B CB 4609 C CG1 . ILE B 75 ? 0.0950 0.1088 0.1018 0.0109 0.0033 -0.0020 75 ILE B CG1 4610 C CG2 . ILE B 75 ? 0.1138 0.1307 0.1214 0.0126 0.0042 -0.0023 75 ILE B CG2 4611 C CD1 . ILE B 75 ? 0.1157 0.1307 0.1236 0.0106 0.0028 -0.0013 75 ILE B CD1 4623 N N . GLY B 76 ? 0.0859 0.0995 0.0929 0.0151 0.0044 -0.0032 76 GLY B N 4624 C CA . GLY B 76 ? 0.1046 0.1185 0.1115 0.0163 0.0050 -0.0037 76 GLY B CA 4625 C C . GLY B 76 ? 0.0961 0.1074 0.1020 0.0168 0.0052 -0.0046 76 GLY B C 4626 O O . GLY B 76 ? 0.1153 0.1265 0.1206 0.0174 0.0058 -0.0053 76 GLY B O 4630 N N . ARG B 77 ? 0.0944 0.1035 0.0998 0.0166 0.0048 -0.0045 77 ARG B N 4631 C CA . ARG B 77 ? 0.0949 0.1013 0.0993 0.0170 0.0050 -0.0052 77 ARG B CA 4632 C C . ARG B 77 ? 0.1769 0.1820 0.1804 0.0163 0.0051 -0.0058 77 ARG B C 4633 O O . ARG B 77 ? 0.2615 0.2642 0.2641 0.0163 0.0051 -0.0063 77 ARG B O 4634 C CB . ARG B 77 ? 0.1167 0.1229 0.1212 0.0185 0.0055 -0.0057 77 ARG B CB 4635 C CG . ARG B 77 ? 0.1334 0.1401 0.1387 0.0191 0.0052 -0.0051 77 ARG B CG 4636 C CD . ARG B 77 ? 0.1131 0.1214 0.1190 0.0204 0.0057 -0.0052 77 ARG B CD 4637 N NE . ARG B 77 ? 0.1149 0.1260 0.1215 0.0203 0.0059 -0.0051 77 ARG B NE 4638 C CZ . ARG B 77 ? 0.0909 0.1042 0.0984 0.0197 0.0056 -0.0042 77 ARG B CZ 4639 N NH1 . ARG B 77 ? 0.1179 0.1310 0.1258 0.0192 0.0050 -0.0035 77 ARG B NH1 4640 N NH2 . ARG B 77 ? 0.1121 0.1279 0.1201 0.0195 0.0059 -0.0041 77 ARG B NH2 4654 N N . HIS B 78 ? 0.1063 0.1129 0.1099 0.0155 0.0052 -0.0057 78 HIS B N 4655 C CA . HIS B 78 ? 0.0936 0.0990 0.0962 0.0147 0.0052 -0.0062 78 HIS B CA 4656 C C . HIS B 78 ? 0.1131 0.1179 0.1158 0.0136 0.0046 -0.0056 78 HIS B C 4657 O O . HIS B 78 ? 0.1154 0.1213 0.1188 0.0134 0.0042 -0.0049 78 HIS B O 4658 C CB . HIS B 78 ? 0.1036 0.1111 0.1062 0.0145 0.0056 -0.0063 78 HIS B CB 4659 C CG . HIS B 78 ? 0.1176 0.1261 0.1202 0.0156 0.0062 -0.0069 78 HIS B CG 4660 N ND1 . HIS B 78 ? 0.1846 0.1945 0.1869 0.0155 0.0066 -0.0072 78 HIS B ND1 4661 C CD2 . HIS B 78 ? 0.1370 0.1453 0.1398 0.0168 0.0065 -0.0071 78 HIS B CD2 4662 C CE1 . HIS B 78 ? 0.1553 0.1659 0.1576 0.0166 0.0071 -0.0078 78 HIS B CE1 4663 N NE2 . HIS B 78 ? 0.1882 0.1977 0.1908 0.0174 0.0071 -0.0077 78 HIS B NE2 4671 N N . LYS B 79 ? 0.1077 0.1108 0.1095 0.0130 0.0046 -0.0060 79 LYS B N 4672 C CA . LYS B 79 ? 0.1039 0.1063 0.1058 0.0120 0.0040 -0.0055 79 LYS B CA 4673 C C . LYS B 79 ? 0.1245 0.1266 0.1258 0.0111 0.0040 -0.0056 79 LYS B C 4674 O O . LYS B 79 ? 0.1441 0.1459 0.1447 0.0112 0.0044 -0.0063 79 LYS B O 4675 C CB . LYS B 79 ? 0.1995 0.1996 0.2010 0.0122 0.0038 -0.0055 79 LYS B CB 4676 C CG . LYS B 79 ? 0.1739 0.1719 0.1744 0.0122 0.0040 -0.0063 79 LYS B CG 4677 C CD . LYS B 79 ? 0.2041 0.1999 0.2042 0.0125 0.0038 -0.0063 79 LYS B CD 4678 C CE . LYS B 79 ? 0.2048 0.2000 0.2050 0.0117 0.0033 -0.0058 79 LYS B CE 4679 N NZ . LYS B 79 ? 0.2475 0.2405 0.2473 0.0119 0.0032 -0.0058 79 LYS B NZ 4693 N N . VAL B 80 ? 0.1069 0.1092 0.1086 0.0103 0.0036 -0.0050 80 VAL B N 4694 C CA . VAL B 80 ? 0.0939 0.0956 0.0951 0.0093 0.0034 -0.0051 80 VAL B CA 4695 C C . VAL B 80 ? 0.0863 0.0865 0.0874 0.0088 0.0029 -0.0048 80 VAL B C 4696 O O . VAL B 80 ? 0.0967 0.0969 0.0984 0.0090 0.0027 -0.0044 80 VAL B O 4697 C CB . VAL B 80 ? 0.1017 0.1055 0.1035 0.0087 0.0034 -0.0045 80 VAL B CB 4698 C CG1 . VAL B 80 ? 0.1285 0.1339 0.1302 0.0091 0.0039 -0.0049 80 VAL B CG1 4699 C CG2 . VAL B 80 ? 0.1051 0.1101 0.1079 0.0084 0.0030 -0.0037 80 VAL B CG2 4709 N N . THR B 81 ? 0.1032 0.1022 0.1038 0.0082 0.0029 -0.0050 81 THR B N 4710 C CA . THR B 81 ? 0.1048 0.1023 0.1052 0.0077 0.0025 -0.0048 81 THR B CA 4711 C C . THR B 81 ? 0.1068 0.1045 0.1072 0.0068 0.0023 -0.0046 81 THR B C 4712 O O . THR B 81 ? 0.1347 0.1325 0.1347 0.0066 0.0025 -0.0049 81 THR B O 4713 C CB . THR B 81 ? 0.1187 0.1140 0.1184 0.0081 0.0026 -0.0053 81 THR B CB 4714 O OG1 . THR B 81 ? 0.1364 0.1316 0.1361 0.0090 0.0028 -0.0055 81 THR B OG1 4715 C CG2 . THR B 81 ? 0.1340 0.1281 0.1336 0.0076 0.0022 -0.0051 81 THR B CG2 4723 N N . SER B 82 ? 0.1045 0.1021 0.1053 0.0062 0.0019 -0.0041 82 SER B N 4724 C CA . SER B 82 ? 0.1082 0.1056 0.1090 0.0054 0.0017 -0.0039 82 SER B CA 4725 C C . SER B 82 ? 0.1057 0.1016 0.1063 0.0051 0.0013 -0.0038 82 SER B C 4726 O O . SER B 82 ? 0.1263 0.1217 0.1271 0.0054 0.0011 -0.0037 82 SER B O 4727 C CB . SER B 82 ? 0.1628 0.1621 0.1644 0.0049 0.0015 -0.0033 82 SER B CB 4728 O OG . SER B 82 ? 0.1806 0.1812 0.1821 0.0051 0.0019 -0.0034 82 SER B OG 4734 N N . LYS B 83 ? 0.1081 0.1034 0.1085 0.0045 0.0013 -0.0038 83 LYS B N 4735 C CA . LYS B 83 ? 0.1028 0.0966 0.1029 0.0043 0.0010 -0.0039 83 LYS B CA 4736 C C . LYS B 83 ? 0.1062 0.1003 0.1068 0.0036 0.0007 -0.0033 83 LYS B C 4737 O O . LYS B 83 ? 0.1130 0.1082 0.1140 0.0032 0.0006 -0.0030 83 LYS B O 4738 C CB . LYS B 83 ? 0.1080 0.1007 0.1074 0.0042 0.0013 -0.0043 83 LYS B CB 4739 C CG . LYS B 83 ? 0.1747 0.1666 0.1734 0.0048 0.0016 -0.0049 83 LYS B CG 4740 C CD . LYS B 83 ? 0.2181 0.2089 0.2162 0.0045 0.0018 -0.0054 83 LYS B CD 4741 C CE . LYS B 83 ? 0.4386 0.4293 0.4362 0.0050 0.0022 -0.0060 83 LYS B CE 4742 N NZ . LYS B 83 ? 0.4762 0.4662 0.4732 0.0046 0.0023 -0.0065 83 LYS B NZ 4756 N N . VAL B 84 ? 0.1020 0.0950 0.1025 0.0034 0.0004 -0.0033 84 VAL B N 4757 C CA . VAL B 84 ? 0.1088 0.1019 0.1098 0.0029 0.0001 -0.0029 84 VAL B CA 4758 C C . VAL B 84 ? 0.1004 0.0919 0.1009 0.0028 -0.0001 -0.0031 84 VAL B C 4759 O O . VAL B 84 ? 0.1274 0.1179 0.1275 0.0031 0.0000 -0.0033 84 VAL B O 4760 C CB . VAL B 84 ? 0.1133 0.1072 0.1150 0.0028 -0.0002 -0.0025 84 VAL B CB 4761 C CG1 . VAL B 84 ? 0.1672 0.1604 0.1687 0.0033 -0.0004 -0.0026 84 VAL B CG1 4762 C CG2 . VAL B 84 ? 0.1479 0.1420 0.1502 0.0022 -0.0006 -0.0021 84 VAL B CG2 4772 N N . ILE B 85 ? 0.1175 0.1089 0.1183 0.0022 -0.0002 -0.0029 85 ILE B N 4773 C CA . ILE B 85 ? 0.1296 0.1197 0.1301 0.0021 -0.0004 -0.0030 85 ILE B CA 4774 C C . ILE B 85 ? 0.1071 0.0971 0.1079 0.0021 -0.0007 -0.0028 85 ILE B C 4775 O O . ILE B 85 ? 0.1523 0.1431 0.1538 0.0018 -0.0010 -0.0025 85 ILE B O 4776 C CB . ILE B 85 ? 0.1394 0.1294 0.1401 0.0016 -0.0005 -0.0028 85 ILE B CB 4777 C CG1 . ILE B 85 ? 0.1644 0.1544 0.1647 0.0015 -0.0002 -0.0030 85 ILE B CG1 4778 C CG2 . ILE B 85 ? 0.1697 0.1585 0.1702 0.0015 -0.0006 -0.0029 85 ILE B CG2 4779 C CD1 . ILE B 85 ? 0.2036 0.1940 0.2043 0.0010 -0.0002 -0.0028 85 ILE B CD1 4791 N N . GLU B 86 ? 0.1587 0.1478 0.1591 0.0024 -0.0007 -0.0030 86 GLU B N 4792 C CA A GLU B 86 ? 0.1417 0.1307 0.1423 0.0025 -0.0011 -0.0029 86 GLU B CA 4793 C CA B GLU B 86 ? 0.1429 0.1319 0.1434 0.0025 -0.0011 -0.0029 86 GLU B CA 4794 C C . GLU B 86 ? 0.1636 0.1513 0.1635 0.0026 -0.0011 -0.0031 86 GLU B C 4795 O O . GLU B 86 ? 0.2096 0.1965 0.2089 0.0028 -0.0008 -0.0033 86 GLU B O 4796 C CB A GLU B 86 ? 0.2029 0.1927 0.2036 0.0029 -0.0012 -0.0028 86 GLU B CB 4797 C CB B GLU B 86 ? 0.1875 0.1772 0.1882 0.0029 -0.0011 -0.0028 86 GLU B CB 4798 C CG A GLU B 86 ? 0.2169 0.2062 0.2170 0.0035 -0.0008 -0.0030 86 GLU B CG 4799 C CG B GLU B 86 ? 0.1299 0.1210 0.1314 0.0027 -0.0013 -0.0025 86 GLU B CG 4800 C CD A GLU B 86 ? 0.2335 0.2238 0.2339 0.0040 -0.0009 -0.0029 86 GLU B CD 4801 C CD B GLU B 86 ? 0.1013 0.0931 0.1029 0.0032 -0.0014 -0.0024 86 GLU B CD 4802 O OE1 A GLU B 86 ? 0.1540 0.1456 0.1552 0.0037 -0.0011 -0.0026 86 GLU B OE1 4803 O OE1 B GLU B 86 ? 0.1191 0.1113 0.1206 0.0036 -0.0011 -0.0025 86 GLU B OE1 4804 O OE2 A GLU B 86 ? 0.0828 0.0726 0.0828 0.0045 -0.0007 -0.0030 86 GLU B OE2 4805 O OE2 B GLU B 86 ? 0.1253 0.1172 0.1271 0.0031 -0.0018 -0.0023 86 GLU B OE2 4818 N N . LYS B 87 ? 0.1543 0.1418 0.1543 0.0024 -0.0014 -0.0031 87 LYS B N 4819 C CA . LYS B 87 ? 0.1863 0.1727 0.1857 0.0025 -0.0014 -0.0033 87 LYS B CA 4820 C C . LYS B 87 ? 0.1728 0.1592 0.1719 0.0030 -0.0014 -0.0033 87 LYS B C 4821 O O . LYS B 87 ? 0.1970 0.1843 0.1964 0.0032 -0.0015 -0.0031 87 LYS B O 4822 C CB . LYS B 87 ? 0.1878 0.1741 0.1875 0.0022 -0.0018 -0.0033 87 LYS B CB 4823 C CG . LYS B 87 ? 0.2755 0.2617 0.2755 0.0018 -0.0018 -0.0032 87 LYS B CG 4824 C CD . LYS B 87 ? 0.3598 0.3457 0.3600 0.0015 -0.0021 -0.0033 87 LYS B CD 4825 C CE . LYS B 87 ? 0.5693 0.5551 0.5700 0.0011 -0.0021 -0.0032 87 LYS B CE 4826 N NZ . LYS B 87 ? 0.6670 0.6524 0.6674 0.0011 -0.0018 -0.0033 87 LYS B NZ 4840 N N . PHE B 88 ? 0.1534 0.1389 0.1518 0.0033 -0.0013 -0.0034 88 PHE B N 4841 C CA . PHE B 88 ? 0.1272 0.1126 0.1252 0.0038 -0.0014 -0.0033 88 PHE B CA 4842 C C . PHE B 88 ? 0.1228 0.1076 0.1203 0.0038 -0.0015 -0.0034 88 PHE B C 4843 O O . PHE B 88 ? 0.1499 0.1338 0.1469 0.0037 -0.0013 -0.0035 88 PHE B O 4844 C CB . PHE B 88 ? 0.1554 0.1403 0.1530 0.0042 -0.0010 -0.0034 88 PHE B CB 4845 C CG . PHE B 88 ? 0.1643 0.1489 0.1615 0.0047 -0.0010 -0.0033 88 PHE B CG 4846 C CD1 . PHE B 88 ? 0.1852 0.1708 0.1829 0.0051 -0.0012 -0.0031 88 PHE B CD1 4847 C CD2 . PHE B 88 ? 0.1759 0.1595 0.1725 0.0048 -0.0009 -0.0033 88 PHE B CD2 4848 C CE1 . PHE B 88 ? 0.1588 0.1442 0.1561 0.0056 -0.0012 -0.0029 88 PHE B CE1 4849 C CE2 . PHE B 88 ? 0.1730 0.1564 0.1692 0.0054 -0.0009 -0.0031 88 PHE B CE2 4850 C CZ . PHE B 88 ? 0.1589 0.1432 0.1555 0.0057 -0.0011 -0.0029 88 PHE B CZ 4860 N N . PRO B 89 ? 0.1201 0.1052 0.1176 0.0040 -0.0018 -0.0033 89 PRO B N 4861 C CA . PRO B 89 ? 0.1280 0.1142 0.1260 0.0041 -0.0021 -0.0031 89 PRO B CA 4862 C C . PRO B 89 ? 0.1669 0.1538 0.1656 0.0035 -0.0024 -0.0031 89 PRO B C 4863 O O . PRO B 89 ? 0.1486 0.1349 0.1472 0.0032 -0.0025 -0.0033 89 PRO B O 4864 C CB . PRO B 89 ? 0.1268 0.1132 0.1245 0.0044 -0.0024 -0.0030 89 PRO B CB 4865 C CG . PRO B 89 ? 0.1818 0.1671 0.1787 0.0045 -0.0022 -0.0031 89 PRO B CG 4866 C CD . PRO B 89 ? 0.1316 0.1161 0.1284 0.0042 -0.0019 -0.0033 89 PRO B CD 4874 N N . ALA B 90 ? 0.1335 0.1215 0.1330 0.0035 -0.0026 -0.0029 90 ALA B N 4875 C CA . ALA B 90 ? 0.1414 0.1300 0.1415 0.0029 -0.0029 -0.0029 90 ALA B CA 4876 C C . ALA B 90 ? 0.1052 0.0952 0.1060 0.0030 -0.0031 -0.0026 90 ALA B C 4877 O O . ALA B 90 ? 0.1254 0.1160 0.1264 0.0034 -0.0029 -0.0024 90 ALA B O 4878 C CB . ALA B 90 ? 0.1909 0.1794 0.1914 0.0026 -0.0027 -0.0029 90 ALA B CB 4884 N N . PRO B 91 ? 0.1006 0.0911 0.1019 0.0026 -0.0036 -0.0025 91 PRO B N 4885 C CA . PRO B 91 ? 0.1121 0.1041 0.1143 0.0025 -0.0038 -0.0022 91 PRO B CA 4886 C C . PRO B 91 ? 0.1319 0.1244 0.1346 0.0023 -0.0035 -0.0020 91 PRO B C 4887 O O . PRO B 91 ? 0.1417 0.1336 0.1444 0.0020 -0.0033 -0.0021 91 PRO B O 4888 C CB . PRO B 91 ? 0.1508 0.1429 0.1534 0.0019 -0.0044 -0.0023 91 PRO B CB 4889 C CG . PRO B 91 ? 0.1590 0.1498 0.1608 0.0019 -0.0044 -0.0027 91 PRO B CG 4890 C CD . PRO B 91 ? 0.1278 0.1176 0.1289 0.0022 -0.0039 -0.0028 91 PRO B CD 4898 N N . VAL B 92 ? 0.1052 0.0990 0.1084 0.0025 -0.0035 -0.0018 92 VAL B N 4899 C CA . VAL B 92 ? 0.0993 0.0939 0.1031 0.0024 -0.0032 -0.0015 92 VAL B CA 4900 C C . VAL B 92 ? 0.1108 0.1071 0.1156 0.0022 -0.0035 -0.0011 92 VAL B C 4901 O O . VAL B 92 ? 0.1153 0.1124 0.1203 0.0024 -0.0037 -0.0010 92 VAL B O 4902 C CB . VAL B 92 ? 0.1097 0.1042 0.1130 0.0030 -0.0027 -0.0017 92 VAL B CB 4903 C CG1 . VAL B 92 ? 0.1621 0.1573 0.1654 0.0036 -0.0027 -0.0016 92 VAL B CG1 4904 C CG2 . VAL B 92 ? 0.1526 0.1477 0.1563 0.0028 -0.0024 -0.0015 92 VAL B CG2 4914 N N . HIS B 93 ? 0.0961 0.0931 0.1015 0.0017 -0.0034 -0.0009 93 HIS B N 4915 C CA . HIS B 93 ? 0.0920 0.0908 0.0984 0.0015 -0.0035 -0.0004 93 HIS B CA 4916 C C . HIS B 93 ? 0.0983 0.0978 0.1046 0.0019 -0.0030 -0.0003 93 HIS B C 4917 O O . HIS B 93 ? 0.1104 0.1094 0.1164 0.0018 -0.0027 -0.0004 93 HIS B O 4918 C CB . HIS B 93 ? 0.1035 0.1026 0.1106 0.0007 -0.0038 -0.0001 93 HIS B CB 4919 C CG . HIS B 93 ? 0.0988 0.0998 0.1069 0.0004 -0.0040 0.0004 93 HIS B CG 4920 N ND1 . HIS B 93 ? 0.1258 0.1279 0.1344 0.0003 -0.0037 0.0008 93 HIS B ND1 4921 C CD2 . HIS B 93 ? 0.1120 0.1141 0.1208 0.0004 -0.0043 0.0006 93 HIS B CD2 4922 C CE1 . HIS B 93 ? 0.1015 0.1052 0.1110 0.0001 -0.0038 0.0012 93 HIS B CE1 4923 N NE2 . HIS B 93 ? 0.1255 0.1294 0.1352 0.0001 -0.0042 0.0011 93 HIS B NE2 4931 N N . ILE B 94 ? 0.0939 0.0947 0.1005 0.0024 -0.0028 -0.0002 94 ILE B N 4932 C CA . ILE B 94 ? 0.1024 0.1039 0.1089 0.0029 -0.0023 -0.0002 94 ILE B CA 4933 C C . ILE B 94 ? 0.1032 0.1068 0.1107 0.0028 -0.0023 0.0003 94 ILE B C 4934 O O . ILE B 94 ? 0.1253 0.1299 0.1334 0.0028 -0.0026 0.0005 94 ILE B O 4935 C CB . ILE B 94 ? 0.1177 0.1188 0.1236 0.0038 -0.0020 -0.0005 94 ILE B CB 4936 C CG1 . ILE B 94 ? 0.1294 0.1285 0.1343 0.0040 -0.0020 -0.0010 94 ILE B CG1 4937 C CG2 . ILE B 94 ? 0.1551 0.1571 0.1610 0.0044 -0.0015 -0.0006 94 ILE B CG2 4938 C CD1 . ILE B 94 ? 0.1722 0.1707 0.1766 0.0047 -0.0019 -0.0012 94 ILE B CD1 4950 N N . CYS B 95 ? 0.1151 0.1194 0.1228 0.0026 -0.0020 0.0004 95 CYS B N 4951 C CA . CYS B 95 ? 0.1400 0.1464 0.1485 0.0026 -0.0018 0.0009 95 CYS B CA 4952 C C . CYS B 95 ? 0.1268 0.1336 0.1348 0.0032 -0.0012 0.0006 95 CYS B C 4953 O O . CYS B 95 ? 0.1226 0.1282 0.1299 0.0032 -0.0009 0.0003 95 CYS B O 4954 C CB . CYS B 95 ? 0.1546 0.1617 0.1638 0.0017 -0.0020 0.0014 95 CYS B CB 4955 S SG . CYS B 95 ? 0.2892 0.2966 0.2994 0.0008 -0.0028 0.0018 95 CYS B SG 4960 N N . VAL B 96 ? 0.0941 0.1025 0.1025 0.0037 -0.0010 0.0007 96 VAL B N 4961 C CA . VAL B 96 ? 0.1043 0.1133 0.1124 0.0043 -0.0004 0.0005 96 VAL B CA 4962 C C . VAL B 96 ? 0.0862 0.0976 0.0952 0.0043 -0.0002 0.0010 96 VAL B C 4963 O O . VAL B 96 ? 0.0972 0.1097 0.1069 0.0044 -0.0004 0.0013 96 VAL B O 4964 C CB . VAL B 96 ? 0.1289 0.1368 0.1362 0.0053 -0.0001 -0.0001 96 VAL B CB 4965 C CG1 . VAL B 96 ? 0.1444 0.1530 0.1522 0.0058 -0.0003 0.0000 96 VAL B CG1 4966 C CG2 . VAL B 96 ? 0.1568 0.1651 0.1636 0.0058 0.0005 -0.0005 96 VAL B CG2 4976 N N . SER B 97 ? 0.1029 0.1152 0.1118 0.0042 0.0002 0.0011 97 SER B N 4977 C CA . SER B 97 ? 0.0843 0.0991 0.0940 0.0043 0.0004 0.0015 97 SER B CA 4978 C C . SER B 97 ? 0.0947 0.1099 0.1037 0.0051 0.0011 0.0010 97 SER B C 4979 O O . SER B 97 ? 0.1004 0.1142 0.1085 0.0053 0.0013 0.0005 97 SER B O 4980 C CB . SER B 97 ? 0.1065 0.1225 0.1169 0.0033 0.0003 0.0022 97 SER B CB 4981 O OG . SER B 97 ? 0.1278 0.1431 0.1375 0.0031 0.0005 0.0020 97 SER B OG 4987 N N . TRP B 98 ? 0.0912 0.1085 0.1009 0.0055 0.0014 0.0012 98 TRP B N 4988 C CA . TRP B 98 ? 0.0952 0.1133 0.1044 0.0063 0.0021 0.0008 98 TRP B CA 4989 C C . TRP B 98 ? 0.0850 0.1058 0.0950 0.0062 0.0023 0.0014 98 TRP B C 4990 O O . TRP B 98 ? 0.1015 0.1239 0.1126 0.0060 0.0021 0.0019 98 TRP B O 4991 C CB . TRP B 98 ? 0.1149 0.1322 0.1237 0.0074 0.0023 0.0001 98 TRP B CB 4992 C CG . TRP B 98 ? 0.1049 0.1228 0.1132 0.0082 0.0030 -0.0004 98 TRP B CG 4993 C CD1 . TRP B 98 ? 0.1089 0.1257 0.1161 0.0084 0.0033 -0.0011 98 TRP B CD1 4994 C CD2 . TRP B 98 ? 0.1062 0.1261 0.1150 0.0090 0.0034 -0.0004 98 TRP B CD2 4995 N NE1 . TRP B 98 ? 0.1133 0.1312 0.1203 0.0093 0.0039 -0.0015 98 TRP B NE1 4996 C CE2 . TRP B 98 ? 0.1065 0.1263 0.1145 0.0097 0.0040 -0.0011 98 TRP B CE2 4997 C CE3 . TRP B 98 ? 0.1079 0.1298 0.1178 0.0092 0.0033 0.0002 98 TRP B CE3 4998 C CZ2 . TRP B 98 ? 0.1062 0.1278 0.1145 0.0106 0.0045 -0.0013 98 TRP B CZ2 4999 C CZ3 . TRP B 98 ? 0.1309 0.1546 0.1411 0.0101 0.0038 0.0001 98 TRP B CZ3 5000 C CH2 . TRP B 98 ? 0.1216 0.1451 0.1310 0.0108 0.0044 -0.0007 98 TRP B CH2 5011 N N . GLU B 99 ? 0.1114 0.1330 0.1209 0.0063 0.0028 0.0012 99 GLU B N 5012 C CA . GLU B 99 ? 0.1163 0.1406 0.1265 0.0061 0.0031 0.0017 99 GLU B CA 5013 C C . GLU B 99 ? 0.1283 0.1535 0.1380 0.0072 0.0038 0.0011 99 GLU B C 5014 O O . GLU B 99 ? 0.1248 0.1490 0.1334 0.0073 0.0041 0.0004 99 GLU B O 5015 C CB . GLU B 99 ? 0.1227 0.1472 0.1328 0.0051 0.0030 0.0022 99 GLU B CB 5016 C CG . GLU B 99 ? 0.1566 0.1840 0.1675 0.0048 0.0033 0.0030 99 GLU B CG 5017 C CD . GLU B 99 ? 0.2464 0.2738 0.2570 0.0039 0.0033 0.0034 99 GLU B CD 5018 O OE1 . GLU B 99 ? 0.1673 0.1937 0.1769 0.0041 0.0035 0.0028 99 GLU B OE1 5019 O OE2 . GLU B 99 ? 0.3024 0.3311 0.3140 0.0031 0.0030 0.0043 99 GLU B OE2 5026 N N . SER B 100 ? 0.1150 0.1419 0.1253 0.0079 0.0041 0.0011 100 SER B N 5027 C CA . SER B 100 ? 0.1213 0.1490 0.1311 0.0089 0.0048 0.0005 100 SER B CA 5028 C C . SER B 100 ? 0.1145 0.1434 0.1238 0.0087 0.0053 0.0004 100 SER B C 5029 O O . SER B 100 ? 0.1182 0.1464 0.1264 0.0094 0.0057 -0.0005 100 SER B O 5030 C CB . SER B 100 ? 0.1347 0.1646 0.1455 0.0096 0.0050 0.0008 100 SER B CB 5031 O OG . SER B 100 ? 0.1431 0.1738 0.1535 0.0107 0.0057 0.0001 100 SER B OG 5037 N N . SER B 101 ? 0.1070 0.1377 0.1169 0.0079 0.0052 0.0013 101 SER B N 5038 C CA . SER B 101 ? 0.1347 0.1670 0.1442 0.0077 0.0057 0.0013 101 SER B CA 5039 C C . SER B 101 ? 0.1298 0.1602 0.1379 0.0076 0.0057 0.0006 101 SER B C 5040 O O . SER B 101 ? 0.1550 0.1861 0.1623 0.0080 0.0063 0.0001 101 SER B O 5041 C CB . SER B 101 ? 0.1563 0.1906 0.1668 0.0067 0.0055 0.0025 101 SER B CB 5042 O OG . SER B 101 ? 0.1934 0.2262 0.2041 0.0056 0.0048 0.0030 101 SER B OG 5048 N N . SER B 102 ? 0.1187 0.1468 0.1265 0.0070 0.0052 0.0006 102 SER B N 5049 C CA . SER B 102 ? 0.1252 0.1514 0.1319 0.0069 0.0052 0.0000 102 SER B CA 5050 C C . SER B 102 ? 0.1046 0.1282 0.1104 0.0075 0.0052 -0.0010 102 SER B C 5051 O O . SER B 102 ? 0.1371 0.1593 0.1418 0.0076 0.0053 -0.0017 102 SER B O 5052 C CB . SER B 102 ? 0.1215 0.1467 0.1283 0.0057 0.0046 0.0006 102 SER B CB 5053 O OG . SER B 102 ? 0.1322 0.1561 0.1397 0.0055 0.0041 0.0009 102 SER B OG 5059 N N . GLY B 103 ? 0.1197 0.1427 0.1260 0.0080 0.0050 -0.0010 103 GLY B N 5060 C CA . GLY B 103 ? 0.1196 0.1401 0.1253 0.0085 0.0049 -0.0018 103 GLY B CA 5061 C C . GLY B 103 ? 0.1219 0.1402 0.1275 0.0077 0.0043 -0.0016 103 GLY B C 5062 O O . GLY B 103 ? 0.1073 0.1236 0.1124 0.0081 0.0042 -0.0021 103 GLY B O 5066 N N . ILE B 104 ? 0.0983 0.1172 0.1043 0.0067 0.0040 -0.0009 104 ILE B N 5067 C CA . ILE B 104 ? 0.1096 0.1265 0.1154 0.0060 0.0035 -0.0008 104 ILE B CA 5068 C C . ILE B 104 ? 0.0970 0.1128 0.1033 0.0059 0.0030 -0.0005 104 ILE B C 5069 O O . ILE B 104 ? 0.1009 0.1180 0.1083 0.0058 0.0027 0.0001 104 ILE B O 5070 C CB . ILE B 104 ? 0.1316 0.1493 0.1376 0.0050 0.0032 0.0000 104 ILE B CB 5071 C CG1 . ILE B 104 ? 0.1491 0.1676 0.1544 0.0050 0.0037 -0.0003 104 ILE B CG1 5072 C CG2 . ILE B 104 ? 0.1626 0.1783 0.1686 0.0043 0.0027 0.0001 104 ILE B CG2 5073 C CD1 . ILE B 104 ? 0.1731 0.1896 0.1772 0.0052 0.0038 -0.0012 104 ILE B CD1 5085 N N . ALA B 105 ? 0.1008 0.1143 0.1064 0.0061 0.0028 -0.0011 105 ALA B N 5086 C CA . ALA B 105 ? 0.0936 0.1057 0.0995 0.0059 0.0023 -0.0009 105 ALA B CA 5087 C C . ALA B 105 ? 0.0936 0.1044 0.0994 0.0050 0.0019 -0.0007 105 ALA B C 5088 O O . ALA B 105 ? 0.1137 0.1235 0.1187 0.0049 0.0020 -0.0011 105 ALA B O 5089 C CB . ALA B 105 ? 0.1313 0.1417 0.1365 0.0067 0.0024 -0.0016 105 ALA B CB 5095 N N . GLU B 106 ? 0.0984 0.1093 0.1049 0.0045 0.0014 -0.0001 106 GLU B N 5096 C CA . GLU B 106 ? 0.1021 0.1117 0.1085 0.0037 0.0010 0.0001 106 GLU B CA 5097 C C . GLU B 106 ? 0.1180 0.1261 0.1245 0.0037 0.0006 0.0000 106 GLU B C 5098 O O . GLU B 106 ? 0.1320 0.1409 0.1392 0.0036 0.0003 0.0004 106 GLU B O 5099 C CB . GLU B 106 ? 0.1600 0.1710 0.1674 0.0028 0.0007 0.0010 106 GLU B CB 5100 C CG . GLU B 106 ? 0.1608 0.1735 0.1684 0.0026 0.0010 0.0013 106 GLU B CG 5101 C CD . GLU B 106 ? 0.1905 0.2042 0.1991 0.0017 0.0007 0.0022 106 GLU B CD 5102 O OE1 . GLU B 106 ? 0.1979 0.2107 0.2069 0.0011 0.0001 0.0026 106 GLU B OE1 5103 O OE2 . GLU B 106 ? 0.2543 0.2697 0.2631 0.0015 0.0009 0.0026 106 GLU B OE2 5110 N N . PHE B 107 ? 0.1156 0.1218 0.1213 0.0037 0.0005 -0.0004 107 PHE B N 5111 C CA . PHE B 107 ? 0.1015 0.1062 0.1072 0.0036 0.0001 -0.0005 107 PHE B CA 5112 C C . PHE B 107 ? 0.0922 0.0964 0.0982 0.0027 -0.0003 -0.0002 107 PHE B C 5113 O O . PHE B 107 ? 0.1023 0.1062 0.1079 0.0024 -0.0002 -0.0001 107 PHE B O 5114 C CB . PHE B 107 ? 0.1139 0.1168 0.1186 0.0041 0.0002 -0.0011 107 PHE B CB 5115 C CG . PHE B 107 ? 0.1100 0.1128 0.1145 0.0050 0.0004 -0.0014 107 PHE B CG 5116 C CD1 . PHE B 107 ? 0.1212 0.1238 0.1261 0.0051 0.0001 -0.0013 107 PHE B CD1 5117 C CD2 . PHE B 107 ? 0.1239 0.1267 0.1279 0.0056 0.0009 -0.0019 107 PHE B CD2 5118 C CE1 . PHE B 107 ? 0.1049 0.1075 0.1097 0.0060 0.0002 -0.0015 107 PHE B CE1 5119 C CE2 . PHE B 107 ? 0.1260 0.1287 0.1300 0.0065 0.0010 -0.0021 107 PHE B CE2 5120 C CZ . PHE B 107 ? 0.1068 0.1093 0.1111 0.0066 0.0007 -0.0019 107 PHE B CZ 5130 N N . TRP B 108 ? 0.0875 0.0914 0.0939 0.0024 -0.0008 0.0001 108 TRP B N 5131 C CA . TRP B 108 ? 0.0701 0.0730 0.0767 0.0017 -0.0012 0.0003 108 TRP B CA 5132 C C . TRP B 108 ? 0.0961 0.0975 0.1023 0.0018 -0.0015 0.0000 108 TRP B C 5133 O O . TRP B 108 ? 0.1132 0.1149 0.1197 0.0021 -0.0017 0.0000 108 TRP B O 5134 C CB . TRP B 108 ? 0.1302 0.1344 0.1378 0.0010 -0.0015 0.0010 108 TRP B CB 5135 C CG . TRP B 108 ? 0.1271 0.1330 0.1352 0.0008 -0.0012 0.0015 108 TRP B CG 5136 C CD1 . TRP B 108 ? 0.1566 0.1641 0.1648 0.0012 -0.0009 0.0015 108 TRP B CD1 5137 C CD2 . TRP B 108 ? 0.1213 0.1275 0.1298 0.0001 -0.0013 0.0020 108 TRP B CD2 5138 N NE1 . TRP B 108 ? 0.1620 0.1708 0.1706 0.0008 -0.0007 0.0020 108 TRP B NE1 5139 C CE2 . TRP B 108 ? 0.1334 0.1414 0.1421 0.0001 -0.0010 0.0023 108 TRP B CE2 5140 C CE3 . TRP B 108 ? 0.1392 0.1443 0.1478 -0.0005 -0.0017 0.0021 108 TRP B CE3 5141 C CZ2 . TRP B 108 ? 0.1745 0.1833 0.1837 -0.0005 -0.0010 0.0029 108 TRP B CZ2 5142 C CZ3 . TRP B 108 ? 0.1826 0.1883 0.1916 -0.0011 -0.0017 0.0027 108 TRP B CZ3 5143 C CH2 . TRP B 108 ? 0.1781 0.1857 0.1874 -0.0011 -0.0013 0.0031 108 TRP B CH2 5154 N N . ILE B 109 ? 0.1120 0.1118 0.1176 0.0016 -0.0015 -0.0003 109 ILE B N 5155 C CA . ILE B 109 ? 0.0952 0.0936 0.1004 0.0018 -0.0017 -0.0006 109 ILE B CA 5156 C C . ILE B 109 ? 0.1317 0.1293 0.1372 0.0011 -0.0021 -0.0005 109 ILE B C 5157 O O . ILE B 109 ? 0.1457 0.1429 0.1511 0.0008 -0.0020 -0.0004 109 ILE B O 5158 C CB . ILE B 109 ? 0.1058 0.1029 0.1101 0.0022 -0.0014 -0.0011 109 ILE B CB 5159 C CG1 . ILE B 109 ? 0.1494 0.1471 0.1534 0.0029 -0.0010 -0.0014 109 ILE B CG1 5160 C CG2 . ILE B 109 ? 0.1527 0.1482 0.1564 0.0023 -0.0016 -0.0014 109 ILE B CG2 5161 C CD1 . ILE B 109 ? 0.1720 0.1702 0.1762 0.0034 -0.0011 -0.0013 109 ILE B CD1 5173 N N . ASN B 110 ? 0.1225 0.1200 0.1283 0.0009 -0.0025 -0.0004 110 ASN B N 5174 C CA . ASN B 110 ? 0.1272 0.1241 0.1334 0.0003 -0.0030 -0.0003 110 ASN B CA 5175 C C . ASN B 110 ? 0.1771 0.1748 0.1840 -0.0003 -0.0030 0.0002 110 ASN B C 5176 O O . ASN B 110 ? 0.1945 0.1913 0.2014 -0.0007 -0.0031 0.0003 110 ASN B O 5177 C CB . ASN B 110 ? 0.1610 0.1562 0.1665 0.0003 -0.0029 -0.0007 110 ASN B CB 5178 C CG . ASN B 110 ? 0.1583 0.1527 0.1630 0.0008 -0.0030 -0.0011 110 ASN B CG 5179 O OD1 . ASN B 110 ? 0.1409 0.1360 0.1459 0.0009 -0.0032 -0.0011 110 ASN B OD1 5180 N ND2 . ASN B 110 ? 0.2157 0.2090 0.2196 0.0011 -0.0027 -0.0015 110 ASN B ND2 5187 N N . GLY B 111 ? 0.1233 0.1226 0.1308 -0.0003 -0.0029 0.0006 111 GLY B N 5188 C CA . GLY B 111 ? 0.1553 0.1555 0.1634 -0.0009 -0.0029 0.0012 111 GLY B CA 5189 C C . GLY B 111 ? 0.2030 0.2033 0.2108 -0.0008 -0.0025 0.0013 111 GLY B C 5190 O O . GLY B 111 ? 0.2343 0.2353 0.2426 -0.0013 -0.0025 0.0018 111 GLY B O 5194 N N . THR B 112 ? 0.1520 0.1515 0.1589 -0.0003 -0.0021 0.0008 112 THR B N 5195 C CA . THR B 112 ? 0.1604 0.1599 0.1668 -0.0002 -0.0018 0.0007 112 THR B CA 5196 C C . THR B 112 ? 0.1526 0.1532 0.1588 0.0003 -0.0013 0.0005 112 THR B C 5197 O O . THR B 112 ? 0.1463 0.1466 0.1520 0.0009 -0.0012 0.0001 112 THR B O 5198 C CB . THR B 112 ? 0.2764 0.2744 0.2822 -0.0001 -0.0017 0.0003 112 THR B CB 5199 O OG1 . THR B 112 ? 0.2911 0.2883 0.2962 0.0004 -0.0015 -0.0003 112 THR B OG1 5200 C CG2 . THR B 112 ? 0.2289 0.2257 0.2349 -0.0006 -0.0021 0.0004 112 THR B CG2 5208 N N . PRO B 113 ? 0.1203 0.1221 0.1266 0.0002 -0.0011 0.0009 113 PRO B N 5209 C CA . PRO B 113 ? 0.0995 0.1024 0.1055 0.0007 -0.0007 0.0006 113 PRO B CA 5210 C C . PRO B 113 ? 0.1103 0.1122 0.1152 0.0011 -0.0003 0.0000 113 PRO B C 5211 O O . PRO B 113 ? 0.1101 0.1112 0.1147 0.0009 -0.0003 -0.0001 113 PRO B O 5212 C CB . PRO B 113 ? 0.1180 0.1225 0.1245 0.0003 -0.0005 0.0012 113 PRO B CB 5213 C CG . PRO B 113 ? 0.1236 0.1273 0.1302 -0.0003 -0.0008 0.0015 113 PRO B CG 5214 C CD . PRO B 113 ? 0.1386 0.1409 0.1454 -0.0005 -0.0012 0.0015 113 PRO B CD 5222 N N . LEU B 114 ? 0.0950 0.0969 0.0995 0.0018 0.0000 -0.0005 114 LEU B N 5223 C CA . LEU B 114 ? 0.0952 0.0964 0.0988 0.0023 0.0003 -0.0011 114 LEU B CA 5224 C C . LEU B 114 ? 0.0931 0.0957 0.0966 0.0024 0.0007 -0.0011 114 LEU B C 5225 O O . LEU B 114 ? 0.1083 0.1125 0.1124 0.0021 0.0007 -0.0006 114 LEU B O 5226 C CB . LEU B 114 ? 0.0945 0.0950 0.0978 0.0030 0.0004 -0.0016 114 LEU B CB 5227 C CG . LEU B 114 ? 0.1341 0.1334 0.1375 0.0030 0.0001 -0.0016 114 LEU B CG 5228 C CD1 . LEU B 114 ? 0.1212 0.1194 0.1239 0.0037 0.0003 -0.0021 114 LEU B CD1 5229 C CD2 . LEU B 114 ? 0.1723 0.1704 0.1756 0.0024 -0.0002 -0.0015 114 LEU B CD2 5241 N N . VAL B 115 ? 0.0869 0.0889 0.0896 0.0027 0.0010 -0.0017 115 VAL B N 5242 C CA . VAL B 115 ? 0.0830 0.0862 0.0854 0.0028 0.0014 -0.0019 115 VAL B CA 5243 C C . VAL B 115 ? 0.0907 0.0952 0.0934 0.0034 0.0017 -0.0019 115 VAL B C 5244 O O . VAL B 115 ? 0.1090 0.1128 0.1115 0.0040 0.0017 -0.0023 115 VAL B O 5245 C CB . VAL B 115 ? 0.0769 0.0790 0.0783 0.0030 0.0017 -0.0026 115 VAL B CB 5246 C CG1 . VAL B 115 ? 0.1186 0.1220 0.1197 0.0032 0.0021 -0.0029 115 VAL B CG1 5247 C CG2 . VAL B 115 ? 0.1020 0.1028 0.1031 0.0025 0.0014 -0.0026 115 VAL B CG2 5257 N N . LYS B 116 ? 0.0949 0.1013 0.0980 0.0032 0.0018 -0.0015 116 LYS B N 5258 C CA . LYS B 116 ? 0.1010 0.1090 0.1044 0.0038 0.0021 -0.0015 116 LYS B CA 5259 C C . LYS B 116 ? 0.1282 0.1357 0.1307 0.0045 0.0026 -0.0024 116 LYS B C 5260 O O . LYS B 116 ? 0.1171 0.1240 0.1188 0.0045 0.0027 -0.0029 116 LYS B O 5261 C CB . LYS B 116 ? 0.1102 0.1204 0.1141 0.0034 0.0022 -0.0009 116 LYS B CB 5262 C CG . LYS B 116 ? 0.1384 0.1494 0.1434 0.0028 0.0018 0.0000 116 LYS B CG 5263 C CD . LYS B 116 ? 0.1835 0.1965 0.1889 0.0023 0.0019 0.0007 116 LYS B CD 5264 C CE . LYS B 116 ? 0.2467 0.2607 0.2532 0.0017 0.0016 0.0017 116 LYS B CE 5265 N NZ . LYS B 116 ? 0.2163 0.2290 0.2231 0.0010 0.0011 0.0021 116 LYS B NZ 5279 N N . LYS B 117 ? 0.1078 0.1157 0.1105 0.0053 0.0028 -0.0026 117 LYS B N 5280 C CA . LYS B 117 ? 0.1061 0.1138 0.1082 0.0061 0.0032 -0.0034 117 LYS B CA 5281 C C . LYS B 117 ? 0.1097 0.1195 0.1123 0.0066 0.0035 -0.0032 117 LYS B C 5282 O O . LYS B 117 ? 0.1523 0.1634 0.1558 0.0063 0.0033 -0.0025 117 LYS B O 5283 C CB . LYS B 117 ? 0.1026 0.1082 0.1042 0.0066 0.0032 -0.0039 117 LYS B CB 5284 C CG . LYS B 117 ? 0.1224 0.1260 0.1235 0.0061 0.0029 -0.0041 117 LYS B CG 5285 C CD . LYS B 117 ? 0.1299 0.1329 0.1301 0.0059 0.0031 -0.0046 117 LYS B CD 5286 C CE . LYS B 117 ? 0.1340 0.1355 0.1339 0.0053 0.0028 -0.0046 117 LYS B CE 5287 N NZ . LYS B 117 ? 0.1444 0.1439 0.1441 0.0055 0.0027 -0.0049 117 LYS B NZ 5301 N N . GLY B 118 ? 0.1157 0.1258 0.1178 0.0074 0.0040 -0.0039 118 GLY B N 5302 C CA . GLY B 118 ? 0.1183 0.1305 0.1210 0.0079 0.0044 -0.0037 118 GLY B CA 5303 C C . GLY B 118 ? 0.1068 0.1186 0.1092 0.0090 0.0048 -0.0044 118 GLY B C 5304 O O . GLY B 118 ? 0.1509 0.1610 0.1523 0.0094 0.0050 -0.0053 118 GLY B O 5308 N N . LEU B 119 ? 0.1029 0.1160 0.1061 0.0096 0.0048 -0.0041 119 LEU B N 5309 C CA . LEU B 119 ? 0.0976 0.1105 0.1007 0.0107 0.0052 -0.0047 119 LEU B CA 5310 C C . LEU B 119 ? 0.1157 0.1311 0.1197 0.0112 0.0054 -0.0042 119 LEU B C 5311 O O . LEU B 119 ? 0.1150 0.1318 0.1199 0.0106 0.0051 -0.0033 119 LEU B O 5312 C CB . LEU B 119 ? 0.1036 0.1143 0.1066 0.0110 0.0049 -0.0048 119 LEU B CB 5313 C CG . LEU B 119 ? 0.1013 0.1124 0.1053 0.0108 0.0044 -0.0040 119 LEU B CG 5314 C CD1 . LEU B 119 ? 0.1225 0.1316 0.1263 0.0113 0.0042 -0.0042 119 LEU B CD1 5315 C CD2 . LEU B 119 ? 0.1188 0.1300 0.1231 0.0095 0.0039 -0.0033 119 LEU B CD2 5327 N N . ARG B 120 ? 0.1185 0.1343 0.1224 0.0122 0.0059 -0.0048 120 ARG B N 5328 C CA . ARG B 120 ? 0.1083 0.1263 0.1131 0.0129 0.0061 -0.0044 120 ARG B CA 5329 C C . ARG B 120 ? 0.0929 0.1138 0.0985 0.0123 0.0062 -0.0037 120 ARG B C 5330 O O . ARG B 120 ? 0.1229 0.1456 0.1296 0.0124 0.0061 -0.0030 120 ARG B O 5331 C CB . ARG B 120 ? 0.1246 0.1422 0.1302 0.0132 0.0057 -0.0039 120 ARG B CB 5332 C CG . ARG B 120 ? 0.1376 0.1531 0.1427 0.0141 0.0058 -0.0047 120 ARG B CG 5333 C CD . ARG B 120 ? 0.1638 0.1805 0.1690 0.0154 0.0065 -0.0051 120 ARG B CD 5334 N NE . ARG B 120 ? 0.1753 0.1907 0.1807 0.0164 0.0065 -0.0054 120 ARG B NE 5335 C CZ . ARG B 120 ? 0.1800 0.1960 0.1854 0.0176 0.0070 -0.0058 120 ARG B CZ 5336 N NH1 . ARG B 120 ? 0.2420 0.2601 0.2475 0.0180 0.0075 -0.0061 120 ARG B NH1 5337 N NH2 . ARG B 120 ? 0.1835 0.1983 0.1891 0.0185 0.0069 -0.0059 120 ARG B NH2 5351 N N . GLN B 121 ? 0.1403 0.1617 0.1452 0.0118 0.0064 -0.0038 121 GLN B N 5352 C CA . GLN B 121 ? 0.1223 0.1463 0.1278 0.0113 0.0065 -0.0031 121 GLN B CA 5353 C C . GLN B 121 ? 0.1155 0.1419 0.1217 0.0122 0.0070 -0.0031 121 GLN B C 5354 O O . GLN B 121 ? 0.1518 0.1779 0.1574 0.0132 0.0076 -0.0040 121 GLN B O 5355 C CB . GLN B 121 ? 0.1475 0.1716 0.1521 0.0108 0.0068 -0.0035 121 GLN B CB 5356 C CG . GLN B 121 ? 0.1262 0.1532 0.1313 0.0102 0.0069 -0.0027 121 GLN B CG 5357 C CD . GLN B 121 ? 0.1458 0.1729 0.1499 0.0097 0.0071 -0.0030 121 GLN B CD 5358 O OE1 . GLN B 121 ? 0.2125 0.2383 0.2155 0.0102 0.0074 -0.0040 121 GLN B OE1 5359 N NE2 . GLN B 121 ? 0.1723 0.2011 0.1769 0.0088 0.0070 -0.0020 121 GLN B NE2 5368 N N . GLY B 122 ? 0.1170 0.1455 0.1244 0.0118 0.0069 -0.0021 122 GLY B N 5369 C CA . GLY B 122 ? 0.1271 0.1582 0.1353 0.0126 0.0073 -0.0019 122 GLY B CA 5370 C C . GLY B 122 ? 0.1547 0.1857 0.1637 0.0134 0.0072 -0.0019 122 GLY B C 5371 O O . GLY B 122 ? 0.1747 0.2080 0.1846 0.0140 0.0075 -0.0016 122 GLY B O 5375 N N . TYR B 123 ? 0.1235 0.1518 0.1321 0.0135 0.0068 -0.0022 123 TYR B N 5376 C CA . TYR B 123 ? 0.1089 0.1368 0.1181 0.0143 0.0066 -0.0022 123 TYR B CA 5377 C C . TYR B 123 ? 0.1304 0.1596 0.1409 0.0136 0.0061 -0.0011 123 TYR B C 5378 O O . TYR B 123 ? 0.1441 0.1735 0.1549 0.0124 0.0056 -0.0005 123 TYR B O 5379 C CB . TYR B 123 ? 0.1218 0.1465 0.1302 0.0145 0.0064 -0.0028 123 TYR B CB 5380 C CG . TYR B 123 ? 0.1144 0.1381 0.1231 0.0154 0.0062 -0.0028 123 TYR B CG 5381 C CD1 . TYR B 123 ? 0.1314 0.1556 0.1402 0.0167 0.0067 -0.0034 123 TYR B CD1 5382 C CD2 . TYR B 123 ? 0.1009 0.1236 0.1100 0.0149 0.0055 -0.0023 123 TYR B CD2 5383 C CE1 . TYR B 123 ? 0.1502 0.1736 0.1594 0.0175 0.0065 -0.0033 123 TYR B CE1 5384 C CE2 . TYR B 123 ? 0.1217 0.1436 0.1311 0.0157 0.0053 -0.0023 123 TYR B CE2 5385 C CZ . TYR B 123 ? 0.1467 0.1691 0.1562 0.0170 0.0059 -0.0028 123 TYR B CZ 5386 O OH . TYR B 123 ? 0.1572 0.1789 0.1670 0.0179 0.0057 -0.0027 123 TYR B OH 5396 N N . PHE B 124 ? 0.1467 0.1768 0.1581 0.0144 0.0060 -0.0009 124 PHE B N 5397 C CA . PHE B 124 ? 0.1399 0.1710 0.1524 0.0138 0.0054 0.0001 124 PHE B CA 5398 C C . PHE B 124 ? 0.1434 0.1725 0.1559 0.0143 0.0050 -0.0001 124 PHE B C 5399 O O . PHE B 124 ? 0.1387 0.1673 0.1510 0.0155 0.0053 -0.0006 124 PHE B O 5400 C CB . PHE B 124 ? 0.1873 0.2217 0.2012 0.0142 0.0056 0.0007 124 PHE B CB 5401 C CG . PHE B 124 ? 0.2407 0.2775 0.2550 0.0135 0.0059 0.0011 124 PHE B CG 5402 C CD1 . PHE B 124 ? 0.4036 0.4399 0.4169 0.0131 0.0062 0.0008 124 PHE B CD1 5403 C CD2 . PHE B 124 ? 0.3457 0.3855 0.3614 0.0133 0.0059 0.0020 124 PHE B CD2 5404 C CE1 . PHE B 124 ? 0.4403 0.4789 0.4540 0.0125 0.0065 0.0013 124 PHE B CE1 5405 C CE2 . PHE B 124 ? 0.3389 0.3810 0.3550 0.0127 0.0062 0.0025 124 PHE B CE2 5406 C CZ . PHE B 124 ? 0.3571 0.3986 0.3722 0.0123 0.0065 0.0022 124 PHE B CZ 5416 N N . VAL B 125 ? 0.1333 0.1609 0.1457 0.0133 0.0043 0.0002 125 VAL B N 5417 C CA . VAL B 125 ? 0.1226 0.1487 0.1351 0.0137 0.0039 0.0002 125 VAL B CA 5418 C C . VAL B 125 ? 0.1307 0.1589 0.1444 0.0143 0.0038 0.0007 125 VAL B C 5419 O O . VAL B 125 ? 0.1190 0.1494 0.1337 0.0137 0.0036 0.0014 125 VAL B O 5420 C CB . VAL B 125 ? 0.1207 0.1452 0.1329 0.0125 0.0031 0.0005 125 VAL B CB 5421 C CG1 . VAL B 125 ? 0.1226 0.1458 0.1349 0.0128 0.0027 0.0006 125 VAL B CG1 5422 C CG2 . VAL B 125 ? 0.1459 0.1682 0.1569 0.0121 0.0033 -0.0001 125 VAL B CG2 5432 N N . GLU B 126 ? 0.1092 0.1366 0.1228 0.0155 0.0039 0.0004 126 GLU B N 5433 C CA . GLU B 126 ? 0.1157 0.1453 0.1305 0.0162 0.0039 0.0008 126 GLU B CA 5434 C C . GLU B 126 ? 0.1182 0.1485 0.1338 0.0155 0.0031 0.0016 126 GLU B C 5435 O O . GLU B 126 ? 0.1082 0.1366 0.1234 0.0148 0.0025 0.0017 126 GLU B O 5436 C CB . GLU B 126 ? 0.1443 0.1726 0.1586 0.0177 0.0042 0.0003 126 GLU B CB 5437 C CG . GLU B 126 ? 0.1737 0.2018 0.1874 0.0186 0.0050 -0.0005 126 GLU B CG 5438 C CD . GLU B 126 ? 0.3560 0.3835 0.3697 0.0201 0.0053 -0.0009 126 GLU B CD 5439 O OE1 . GLU B 126 ? 0.3241 0.3519 0.3375 0.0211 0.0060 -0.0015 126 GLU B OE1 5440 O OE2 . GLU B 126 ? 0.3311 0.3575 0.3449 0.0204 0.0048 -0.0006 126 GLU B OE2 5447 N N . ALA B 127 ? 0.1335 0.1667 0.1505 0.0157 0.0031 0.0022 127 ALA B N 5448 C CA . ALA B 127 ? 0.1420 0.1763 0.1600 0.0151 0.0024 0.0030 127 ALA B CA 5449 C C . ALA B 127 ? 0.1213 0.1547 0.1393 0.0159 0.0020 0.0030 127 ALA B C 5450 O O . ALA B 127 ? 0.1250 0.1572 0.1425 0.0171 0.0024 0.0025 127 ALA B O 5451 C CB . ALA B 127 ? 0.1322 0.1701 0.1517 0.0150 0.0025 0.0037 127 ALA B CB 5457 N N . GLN B 128 ? 0.1190 0.1531 0.1378 0.0153 0.0013 0.0036 128 GLN B N 5458 C CA . GLN B 128 ? 0.1249 0.1588 0.1439 0.0159 0.0008 0.0038 128 GLN B CA 5459 C C . GLN B 128 ? 0.1123 0.1428 0.1299 0.0163 0.0007 0.0032 128 GLN B C 5460 O O . GLN B 128 ? 0.1184 0.1482 0.1358 0.0175 0.0010 0.0030 128 GLN B O 5461 C CB . GLN B 128 ? 0.1254 0.1613 0.1453 0.0173 0.0012 0.0039 128 GLN B CB 5462 C CG . GLN B 128 ? 0.1508 0.1902 0.1722 0.0170 0.0012 0.0046 128 GLN B CG 5463 C CD . GLN B 128 ? 0.2773 0.3189 0.2997 0.0184 0.0017 0.0047 128 GLN B CD 5464 O OE1 . GLN B 128 ? 0.4665 0.5099 0.4893 0.0188 0.0024 0.0047 128 GLN B OE1 5465 N NE2 . GLN B 128 ? 0.3205 0.3619 0.3431 0.0193 0.0014 0.0049 128 GLN B NE2 5474 N N . PRO B 129 ? 0.1109 0.1396 0.1277 0.0151 0.0004 0.0031 129 PRO B N 5475 C CA . PRO B 129 ? 0.1105 0.1362 0.1261 0.0154 0.0003 0.0026 129 PRO B CA 5476 C C . PRO B 129 ? 0.1180 0.1432 0.1337 0.0154 -0.0004 0.0029 129 PRO B C 5477 O O . PRO B 129 ? 0.1311 0.1581 0.1477 0.0150 -0.0010 0.0035 129 PRO B O 5478 C CB . PRO B 129 ? 0.1114 0.1357 0.1263 0.0140 0.0001 0.0024 129 PRO B CB 5479 C CG . PRO B 129 ? 0.1327 0.1591 0.1487 0.0130 -0.0004 0.0030 129 PRO B CG 5480 C CD . PRO B 129 ? 0.1243 0.1535 0.1414 0.0137 0.0001 0.0033 129 PRO B CD 5488 N N . LYS B 130 ? 0.0975 0.1202 0.1121 0.0160 -0.0004 0.0025 130 LYS B N 5489 C CA . LYS B 130 ? 0.0793 0.1007 0.0935 0.0156 -0.0010 0.0027 130 LYS B CA 5490 C C . LYS B 130 ? 0.0869 0.1061 0.1000 0.0146 -0.0011 0.0022 130 LYS B C 5491 O O . LYS B 130 ? 0.0826 0.1000 0.0948 0.0149 -0.0006 0.0017 130 LYS B O 5492 C CB . LYS B 130 ? 0.1026 0.1228 0.1163 0.0168 -0.0010 0.0027 130 LYS B CB 5493 C CG . LYS B 130 ? 0.1738 0.1964 0.1887 0.0178 -0.0010 0.0032 130 LYS B CG 5494 C CD . LYS B 130 ? 0.2712 0.2956 0.2869 0.0171 -0.0018 0.0038 130 LYS B CD 5495 C CE . LYS B 130 ? 0.4400 0.4669 0.4569 0.0181 -0.0018 0.0043 130 LYS B CE 5496 N NZ . LYS B 130 ? 0.4266 0.4522 0.4431 0.0195 -0.0016 0.0043 130 LYS B NZ 5510 N N . ILE B 131 ? 0.0953 0.1144 0.1084 0.0135 -0.0017 0.0025 131 ILE B N 5511 C CA . ILE B 131 ? 0.0802 0.0973 0.0924 0.0125 -0.0018 0.0021 131 ILE B CA 5512 C C . ILE B 131 ? 0.0748 0.0902 0.0862 0.0124 -0.0024 0.0021 131 ILE B C 5513 O O . ILE B 131 ? 0.1025 0.1190 0.1145 0.0121 -0.0030 0.0025 131 ILE B O 5514 C CB . ILE B 131 ? 0.0709 0.0893 0.0838 0.0113 -0.0021 0.0024 131 ILE B CB 5515 C CG1 . ILE B 131 ? 0.1138 0.1341 0.1275 0.0114 -0.0016 0.0025 131 ILE B CG1 5516 C CG2 . ILE B 131 ? 0.0913 0.1076 0.1033 0.0103 -0.0022 0.0020 131 ILE B CG2 5517 C CD1 . ILE B 131 ? 0.1218 0.1435 0.1362 0.0102 -0.0019 0.0028 131 ILE B CD1 5529 N N . VAL B 132 ? 0.0815 0.0945 0.0918 0.0125 -0.0021 0.0017 132 VAL B N 5530 C CA . VAL B 132 ? 0.0771 0.0885 0.0866 0.0125 -0.0025 0.0016 132 VAL B CA 5531 C C . VAL B 132 ? 0.0760 0.0854 0.0846 0.0116 -0.0026 0.0013 132 VAL B C 5532 O O . VAL B 132 ? 0.0833 0.0916 0.0914 0.0115 -0.0021 0.0009 132 VAL B O 5533 C CB . VAL B 132 ? 0.0746 0.0848 0.0835 0.0137 -0.0022 0.0015 132 VAL B CB 5534 C CG1 . VAL B 132 ? 0.0882 0.0964 0.0962 0.0137 -0.0025 0.0015 132 VAL B CG1 5535 C CG2 . VAL B 132 ? 0.1012 0.1135 0.1112 0.0147 -0.0022 0.0020 132 VAL B CG2 5545 N N . LEU B 133 ? 0.0789 0.0879 0.0873 0.0110 -0.0032 0.0014 133 LEU B N 5546 C CA . LEU B 133 ? 0.0767 0.0836 0.0841 0.0103 -0.0033 0.0010 133 LEU B CA 5547 C C . LEU B 133 ? 0.0796 0.0850 0.0861 0.0109 -0.0034 0.0010 133 LEU B C 5548 O O . LEU B 133 ? 0.0921 0.0984 0.0989 0.0114 -0.0037 0.0014 133 LEU B O 5549 C CB . LEU B 133 ? 0.0881 0.0954 0.0957 0.0092 -0.0039 0.0011 133 LEU B CB 5550 C CG . LEU B 133 ? 0.0777 0.0865 0.0862 0.0084 -0.0039 0.0012 133 LEU B CG 5551 C CD1 . LEU B 133 ? 0.1051 0.1140 0.1138 0.0074 -0.0046 0.0012 133 LEU B CD1 5552 C CD2 . LEU B 133 ? 0.1002 0.1082 0.1085 0.0083 -0.0034 0.0009 133 LEU B CD2 5564 N N . GLY B 134 ? 0.0804 0.0837 0.0858 0.0108 -0.0031 0.0006 134 GLY B N 5565 C CA . GLY B 134 ? 0.0965 0.0984 0.1011 0.0112 -0.0032 0.0007 134 GLY B CA 5566 C C . GLY B 134 ? 0.0866 0.0873 0.0908 0.0122 -0.0027 0.0006 134 GLY B C 5567 O O . GLY B 134 ? 0.0932 0.0922 0.0965 0.0124 -0.0026 0.0006 134 GLY B O 5571 N N . GLN B 135 ? 0.0838 0.0855 0.0886 0.0129 -0.0023 0.0006 135 GLN B N 5572 C CA . GLN B 135 ? 0.0854 0.0861 0.0899 0.0139 -0.0018 0.0005 135 GLN B CA 5573 C C . GLN B 135 ? 0.0751 0.0764 0.0801 0.0141 -0.0012 0.0002 135 GLN B C 5574 O O . GLN B 135 ? 0.0952 0.0982 0.1009 0.0136 -0.0013 0.0002 135 GLN B O 5575 C CB . GLN B 135 ? 0.0846 0.0861 0.0895 0.0149 -0.0019 0.0010 135 GLN B CB 5576 C CG . GLN B 135 ? 0.0849 0.0862 0.0894 0.0148 -0.0025 0.0014 135 GLN B CG 5577 C CD . GLN B 135 ? 0.0998 0.0988 0.1033 0.0149 -0.0024 0.0013 135 GLN B CD 5578 O OE1 . GLN B 135 ? 0.1231 0.1206 0.1262 0.0154 -0.0018 0.0010 135 GLN B OE1 5579 N NE2 . GLN B 135 ? 0.0967 0.0953 0.0996 0.0145 -0.0028 0.0015 135 GLN B NE2 5588 N N . GLU B 136 ? 0.0796 0.0795 0.0841 0.0147 -0.0007 -0.0002 136 GLU B N 5589 C CA . GLU B 136 ? 0.0652 0.0654 0.0699 0.0151 -0.0001 -0.0006 136 GLU B CA 5590 C C . GLU B 136 ? 0.0950 0.0962 0.1003 0.0163 0.0001 -0.0003 136 GLU B C 5591 O O . GLU B 136 ? 0.1048 0.1049 0.1098 0.0170 0.0001 -0.0002 136 GLU B O 5592 C CB . GLU B 136 ? 0.0825 0.0805 0.0862 0.0150 0.0003 -0.0011 136 GLU B CB 5593 C CG . GLU B 136 ? 0.1054 0.1037 0.1091 0.0149 0.0008 -0.0016 136 GLU B CG 5594 C CD . GLU B 136 ? 0.1065 0.1055 0.1106 0.0160 0.0013 -0.0018 136 GLU B CD 5595 O OE1 . GLU B 136 ? 0.1121 0.1099 0.1160 0.0168 0.0015 -0.0019 136 GLU B OE1 5596 O OE2 . GLU B 136 ? 0.1083 0.1090 0.1130 0.0160 0.0015 -0.0019 136 GLU B OE2 5603 N N . GLN B 137 ? 0.0794 0.0828 0.0856 0.0165 0.0002 -0.0002 137 GLN B N 5604 C CA . GLN B 137 ? 0.0810 0.0855 0.0879 0.0177 0.0004 -0.0001 137 GLN B CA 5605 C C . GLN B 137 ? 0.1046 0.1079 0.1110 0.0185 0.0011 -0.0006 137 GLN B C 5606 O O . GLN B 137 ? 0.0883 0.0913 0.0945 0.0181 0.0015 -0.0012 137 GLN B O 5607 C CB . GLN B 137 ? 0.0797 0.0870 0.0877 0.0177 0.0004 0.0002 137 GLN B CB 5608 C CG . GLN B 137 ? 0.1130 0.1218 0.1216 0.0170 -0.0003 0.0008 137 GLN B CG 5609 C CD . GLN B 137 ? 0.1174 0.1288 0.1271 0.0167 -0.0003 0.0011 137 GLN B CD 5610 O OE1 . GLN B 137 ? 0.1136 0.1269 0.1243 0.0175 -0.0003 0.0014 137 GLN B OE1 5611 N NE2 . GLN B 137 ? 0.0977 0.1095 0.1075 0.0157 -0.0004 0.0009 137 GLN B NE2 5620 N N . ASP B 138 ? 0.0857 0.0885 0.0923 0.0198 0.0013 -0.0006 138 ASP B N 5621 C CA . ASP B 138 ? 0.0931 0.0953 0.0996 0.0207 0.0020 -0.0011 138 ASP B CA 5622 C C . ASP B 138 ? 0.1307 0.1350 0.1382 0.0218 0.0022 -0.0009 138 ASP B C 5623 O O . ASP B 138 ? 0.1380 0.1421 0.1455 0.0227 0.0028 -0.0013 138 ASP B O 5624 C CB . ASP B 138 ? 0.0954 0.0948 0.1010 0.0212 0.0022 -0.0014 138 ASP B CB 5625 C CG . ASP B 138 ? 0.0998 0.0971 0.1043 0.0203 0.0022 -0.0018 138 ASP B CG 5626 O OD1 . ASP B 138 ? 0.0958 0.0938 0.1003 0.0194 0.0023 -0.0021 138 ASP B OD1 5627 O OD2 . ASP B 138 ? 0.1167 0.1118 0.1205 0.0204 0.0022 -0.0019 138 ASP B OD2 5632 N N . SER B 139 ? 0.1093 0.1155 0.1176 0.0218 0.0017 -0.0001 139 SER B N 5633 C CA . SER B 139 ? 0.0989 0.1076 0.1084 0.0227 0.0018 0.0002 139 SER B CA 5634 C C . SER B 139 ? 0.1311 0.1425 0.1415 0.0218 0.0014 0.0006 139 SER B C 5635 O O . SER B 139 ? 0.1236 0.1348 0.1337 0.0206 0.0011 0.0006 139 SER B O 5636 C CB . SER B 139 ? 0.1118 0.1203 0.1216 0.0237 0.0016 0.0007 139 SER B CB 5637 O OG . SER B 139 ? 0.1548 0.1638 0.1647 0.0230 0.0008 0.0014 139 SER B OG 5643 N N . TYR B 140 ? 0.1336 0.1475 0.1452 0.0225 0.0014 0.0010 140 TYR B N 5644 C CA . TYR B 140 ? 0.1149 0.1314 0.1274 0.0216 0.0011 0.0015 140 TYR B CA 5645 C C . TYR B 140 ? 0.1169 0.1336 0.1295 0.0212 0.0002 0.0021 140 TYR B C 5646 O O . TYR B 140 ? 0.1492 0.1673 0.1627 0.0219 0.0000 0.0027 140 TYR B O 5647 C CB . TYR B 140 ? 0.1300 0.1492 0.1437 0.0225 0.0014 0.0017 140 TYR B CB 5648 C CG . TYR B 140 ? 0.1196 0.1417 0.1344 0.0217 0.0011 0.0022 140 TYR B CG 5649 C CD1 . TYR B 140 ? 0.1156 0.1379 0.1302 0.0204 0.0011 0.0020 140 TYR B CD1 5650 C CD2 . TYR B 140 ? 0.1575 0.1821 0.1735 0.0221 0.0008 0.0028 140 TYR B CD2 5651 C CE1 . TYR B 140 ? 0.1003 0.1251 0.1159 0.0196 0.0009 0.0024 140 TYR B CE1 5652 C CE2 . TYR B 140 ? 0.1707 0.1980 0.1878 0.0213 0.0006 0.0033 140 TYR B CE2 5653 C CZ . TYR B 140 ? 0.1466 0.1740 0.1635 0.0200 0.0006 0.0031 140 TYR B CZ 5654 O OH . TYR B 140 ? 0.1817 0.2116 0.1997 0.0191 0.0003 0.0036 140 TYR B OH 5664 N N . GLY B 141 ? 0.1165 0.1318 0.1284 0.0200 -0.0001 0.0021 141 GLY B N 5665 C CA . GLY B 141 ? 0.1179 0.1333 0.1298 0.0194 -0.0009 0.0025 141 GLY B CA 5666 C C . GLY B 141 ? 0.1463 0.1592 0.1571 0.0197 -0.0011 0.0025 141 GLY B C 5667 O O . GLY B 141 ? 0.2094 0.2221 0.2200 0.0192 -0.0017 0.0029 141 GLY B O 5671 N N . GLY B 142 ? 0.1181 0.1288 0.1281 0.0204 -0.0005 0.0021 142 GLY B N 5672 C CA . GLY B 142 ? 0.1254 0.1339 0.1345 0.0207 -0.0007 0.0021 142 GLY B CA 5673 C C . GLY B 142 ? 0.1225 0.1284 0.1307 0.0210 -0.0001 0.0015 142 GLY B C 5674 O O . GLY B 142 ? 0.1179 0.1232 0.1257 0.0204 0.0002 0.0009 142 GLY B O 5678 N N A LYS B 143 ? 0.1293 0.1335 0.1370 0.0218 0.0000 0.0017 143 LYS B N 5679 N N B LYS B 143 ? 0.1216 0.1257 0.1292 0.0218 -0.0001 0.0017 143 LYS B N 5680 C CA A LYS B 143 ? 0.1066 0.1081 0.1133 0.0221 0.0004 0.0012 143 LYS B CA 5681 C CA B LYS B 143 ? 0.1089 0.1103 0.1156 0.0221 0.0004 0.0012 143 LYS B CA 5682 C C A LYS B 143 ? 0.0844 0.0845 0.0902 0.0208 0.0003 0.0008 143 LYS B C 5683 C C B LYS B 143 ? 0.0962 0.0960 0.1019 0.0208 0.0003 0.0008 143 LYS B C 5684 O O A LYS B 143 ? 0.1137 0.1130 0.1192 0.0204 0.0007 0.0001 143 LYS B O 5685 O O B LYS B 143 ? 0.0795 0.0780 0.0847 0.0206 0.0008 0.0001 143 LYS B O 5686 C CB A LYS B 143 ? 0.1126 0.1139 0.1196 0.0230 0.0011 0.0006 143 LYS B CB 5687 C CB B LYS B 143 ? 0.1293 0.1309 0.1363 0.0229 0.0011 0.0006 143 LYS B CB 5688 C CG A LYS B 143 ? 0.2346 0.2368 0.2424 0.0245 0.0013 0.0010 143 LYS B CG 5689 C CG B LYS B 143 ? 0.2332 0.2353 0.2408 0.0244 0.0013 0.0009 143 LYS B CG 5690 C CD A LYS B 143 ? 0.2115 0.2129 0.2192 0.0254 0.0020 0.0003 143 LYS B CD 5691 C CD B LYS B 143 ? 0.2795 0.2791 0.2865 0.0252 0.0019 0.0004 143 LYS B CD 5692 C CE A LYS B 143 ? 0.3906 0.3924 0.3990 0.0270 0.0023 0.0006 143 LYS B CE 5693 C CE B LYS B 143 ? 0.2863 0.2853 0.2929 0.0248 0.0025 -0.0006 143 LYS B CE 5694 N NZ A LYS B 143 ? 0.4946 0.4995 0.5042 0.0274 0.0021 0.0011 143 LYS B NZ 5695 N NZ B LYS B 143 ? 0.3220 0.3179 0.3275 0.0249 0.0028 -0.0011 143 LYS B NZ 5722 N N . PHE B 144 ? 0.0981 0.0980 0.1035 0.0201 -0.0002 0.0012 144 PHE B N 5723 C CA . PHE B 144 ? 0.0897 0.0883 0.0943 0.0189 -0.0004 0.0009 144 PHE B CA 5724 C C . PHE B 144 ? 0.0933 0.0892 0.0969 0.0190 -0.0002 0.0007 144 PHE B C 5725 O O . PHE B 144 ? 0.1314 0.1263 0.1349 0.0200 0.0001 0.0008 144 PHE B O 5726 C CB . PHE B 144 ? 0.1035 0.1032 0.1083 0.0182 -0.0011 0.0014 144 PHE B CB 5727 C CG . PHE B 144 ? 0.1017 0.1040 0.1075 0.0180 -0.0015 0.0017 144 PHE B CG 5728 C CD1 . PHE B 144 ? 0.1129 0.1165 0.1192 0.0177 -0.0012 0.0014 144 PHE B CD1 5729 C CD2 . PHE B 144 ? 0.1304 0.1340 0.1366 0.0180 -0.0021 0.0023 144 PHE B CD2 5730 C CE1 . PHE B 144 ? 0.1131 0.1192 0.1205 0.0173 -0.0016 0.0017 144 PHE B CE1 5731 C CE2 . PHE B 144 ? 0.1559 0.1620 0.1630 0.0177 -0.0024 0.0026 144 PHE B CE2 5732 C CZ . PHE B 144 ? 0.1303 0.1376 0.1381 0.0173 -0.0022 0.0023 144 PHE B CZ 5743 N N . ASP B 145 ? 0.0940 0.0887 0.0969 0.0180 -0.0002 0.0004 145 ASP B N 5744 C CA . ASP B 145 ? 0.1010 0.0931 0.1029 0.0179 0.0000 0.0001 145 ASP B CA 5745 C C . ASP B 145 ? 0.1268 0.1184 0.1281 0.0169 -0.0003 0.0002 145 ASP B C 5746 O O . ASP B 145 ? 0.1096 0.1017 0.1109 0.0160 -0.0004 -0.0001 145 ASP B O 5747 C CB . ASP B 145 ? 0.1325 0.1237 0.1342 0.0179 0.0006 -0.0006 145 ASP B CB 5748 C CG . ASP B 145 ? 0.1497 0.1384 0.1505 0.0177 0.0009 -0.0009 145 ASP B CG 5749 O OD1 . ASP B 145 ? 0.1496 0.1372 0.1498 0.0174 0.0006 -0.0006 145 ASP B OD1 5750 O OD2 . ASP B 145 ? 0.1542 0.1420 0.1547 0.0178 0.0014 -0.0015 145 ASP B OD2 5755 N N . ARG B 146 ? 0.1080 0.0985 0.1087 0.0170 -0.0006 0.0007 146 ARG B N 5756 C CA . ARG B 146 ? 0.1295 0.1196 0.1296 0.0161 -0.0010 0.0008 146 ARG B CA 5757 C C . ARG B 146 ? 0.1077 0.0965 0.1072 0.0152 -0.0007 0.0002 146 ARG B C 5758 O O . ARG B 146 ? 0.1089 0.0980 0.1083 0.0143 -0.0010 0.0001 146 ARG B O 5759 C CB . ARG B 146 ? 0.1493 0.1384 0.1488 0.0164 -0.0011 0.0013 146 ARG B CB 5760 C CG . ARG B 146 ? 0.1570 0.1457 0.1558 0.0156 -0.0015 0.0014 146 ARG B CG 5761 C CD . ARG B 146 ? 0.1886 0.1769 0.1870 0.0160 -0.0018 0.0021 146 ARG B CD 5762 N NE . ARG B 146 ? 0.2062 0.1925 0.2041 0.0165 -0.0014 0.0022 146 ARG B NE 5763 C CZ . ARG B 146 ? 0.2361 0.2216 0.2335 0.0170 -0.0015 0.0028 146 ARG B CZ 5764 N NH1 . ARG B 146 ? 0.2724 0.2590 0.2698 0.0171 -0.0020 0.0034 146 ARG B NH1 5765 N NH2 . ARG B 146 ? 0.2516 0.2351 0.2486 0.0174 -0.0011 0.0029 146 ARG B NH2 5779 N N . SER B 147 ? 0.0993 0.0868 0.0986 0.0155 -0.0002 -0.0003 147 SER B N 5780 C CA . SER B 147 ? 0.0964 0.0827 0.0952 0.0147 0.0001 -0.0008 147 SER B CA 5781 C C . SER B 147 ? 0.1084 0.0960 0.1076 0.0141 0.0001 -0.0012 147 SER B C 5782 O O . SER B 147 ? 0.1212 0.1080 0.1201 0.0134 0.0003 -0.0016 147 SER B O 5783 C CB . SER B 147 ? 0.1339 0.1183 0.1323 0.0151 0.0006 -0.0011 147 SER B CB 5784 O OG . SER B 147 ? 0.1583 0.1431 0.1571 0.0157 0.0009 -0.0015 147 SER B OG 5790 N N . GLN B 148 ? 0.0895 0.0791 0.0896 0.0143 0.0000 -0.0010 148 GLN B N 5791 C CA . GLN B 148 ? 0.0983 0.0893 0.0989 0.0137 0.0000 -0.0013 148 GLN B CA 5792 C C . GLN B 148 ? 0.0917 0.0842 0.0927 0.0132 -0.0006 -0.0009 148 GLN B C 5793 O O . GLN B 148 ? 0.1057 0.0996 0.1073 0.0127 -0.0007 -0.0010 148 GLN B O 5794 C CB . GLN B 148 ? 0.0950 0.0871 0.0962 0.0144 0.0003 -0.0015 148 GLN B CB 5795 C CG . GLN B 148 ? 0.1047 0.0952 0.1055 0.0149 0.0009 -0.0020 148 GLN B CG 5796 C CD . GLN B 148 ? 0.1035 0.0952 0.1048 0.0156 0.0012 -0.0022 148 GLN B CD 5797 O OE1 . GLN B 148 ? 0.1033 0.0960 0.1052 0.0164 0.0012 -0.0019 148 GLN B OE1 5798 N NE2 . GLN B 148 ? 0.1365 0.1282 0.1377 0.0153 0.0016 -0.0028 148 GLN B NE2 5807 N N . SER B 149 ? 0.0987 0.0911 0.0995 0.0134 -0.0010 -0.0005 149 SER B N 5808 C CA . SER B 149 ? 0.0871 0.0811 0.0884 0.0129 -0.0016 -0.0001 149 SER B CA 5809 C C . SER B 149 ? 0.0772 0.0709 0.0782 0.0118 -0.0018 -0.0004 149 SER B C 5810 O O . SER B 149 ? 0.1052 0.0974 0.1055 0.0115 -0.0016 -0.0007 149 SER B O 5811 C CB . SER B 149 ? 0.1092 0.1031 0.1102 0.0134 -0.0019 0.0003 149 SER B CB 5812 O OG . SER B 149 ? 0.1068 0.0989 0.1068 0.0131 -0.0019 0.0003 149 SER B OG 5818 N N . PHE B 150 ? 0.0897 0.0850 0.0913 0.0113 -0.0022 -0.0003 150 PHE B N 5819 C CA . PHE B 150 ? 0.0849 0.0801 0.0864 0.0103 -0.0024 -0.0005 150 PHE B CA 5820 C C . PHE B 150 ? 0.1119 0.1069 0.1130 0.0100 -0.0029 -0.0003 150 PHE B C 5821 O O . PHE B 150 ? 0.1170 0.1132 0.1184 0.0103 -0.0033 0.0001 150 PHE B O 5822 C CB . PHE B 150 ? 0.0809 0.0778 0.0833 0.0098 -0.0026 -0.0004 150 PHE B CB 5823 C CG . PHE B 150 ? 0.0901 0.0869 0.0925 0.0088 -0.0029 -0.0006 150 PHE B CG 5824 C CD1 . PHE B 150 ? 0.1033 0.0992 0.1054 0.0083 -0.0026 -0.0009 150 PHE B CD1 5825 C CD2 . PHE B 150 ? 0.0973 0.0950 0.1000 0.0084 -0.0035 -0.0004 150 PHE B CD2 5826 C CE1 . PHE B 150 ? 0.1092 0.1050 0.1113 0.0074 -0.0029 -0.0011 150 PHE B CE1 5827 C CE2 . PHE B 150 ? 0.0891 0.0866 0.0917 0.0075 -0.0038 -0.0006 150 PHE B CE2 5828 C CZ . PHE B 150 ? 0.0916 0.0880 0.0939 0.0070 -0.0035 -0.0009 150 PHE B CZ 5838 N N . VAL B 151 ? 0.0845 0.0782 0.0848 0.0095 -0.0029 -0.0005 151 VAL B N 5839 C CA . VAL B 151 ? 0.0813 0.0748 0.0812 0.0092 -0.0034 -0.0004 151 VAL B CA 5840 C C . VAL B 151 ? 0.0916 0.0851 0.0916 0.0082 -0.0036 -0.0008 151 VAL B C 5841 O O . VAL B 151 ? 0.1074 0.0999 0.1071 0.0079 -0.0032 -0.0011 151 VAL B O 5842 C CB . VAL B 151 ? 0.0941 0.0859 0.0929 0.0095 -0.0032 -0.0004 151 VAL B CB 5843 C CG1 . VAL B 151 ? 0.1004 0.0921 0.0987 0.0091 -0.0037 -0.0003 151 VAL B CG1 5844 C CG2 . VAL B 151 ? 0.1111 0.1026 0.1098 0.0104 -0.0030 -0.0001 151 VAL B CG2 5854 N N . GLY B 152 ? 0.0816 0.0761 0.0819 0.0078 -0.0041 -0.0007 152 GLY B N 5855 C CA . GLY B 152 ? 0.0979 0.0923 0.0983 0.0069 -0.0043 -0.0010 152 GLY B CA 5856 C C . GLY B 152 ? 0.0935 0.0896 0.0948 0.0065 -0.0048 -0.0008 152 GLY B C 5857 O O . GLY B 152 ? 0.0966 0.0939 0.0983 0.0069 -0.0051 -0.0005 152 GLY B O 5861 N N . GLU B 153 ? 0.0746 0.0709 0.0765 0.0058 -0.0048 -0.0010 153 GLU B N 5862 C CA . GLU B 153 ? 0.0873 0.0851 0.0900 0.0053 -0.0053 -0.0009 153 GLU B CA 5863 C C . GLU B 153 ? 0.0861 0.0847 0.0897 0.0050 -0.0051 -0.0008 153 GLU B C 5864 O O . GLU B 153 ? 0.0862 0.0840 0.0897 0.0049 -0.0047 -0.0010 153 GLU B O 5865 C CB . GLU B 153 ? 0.0892 0.0863 0.0917 0.0045 -0.0057 -0.0012 153 GLU B CB 5866 C CG . GLU B 153 ? 0.0965 0.0927 0.0979 0.0047 -0.0059 -0.0014 153 GLU B CG 5867 C CD . GLU B 153 ? 0.1187 0.1143 0.1198 0.0040 -0.0063 -0.0018 153 GLU B CD 5868 O OE1 . GLU B 153 ? 0.1157 0.1120 0.1175 0.0034 -0.0067 -0.0018 153 GLU B OE1 5869 O OE2 . GLU B 153 ? 0.1258 0.1200 0.1259 0.0041 -0.0061 -0.0021 153 GLU B OE2 5876 N N . ILE B 154 ? 0.0901 0.0905 0.0947 0.0050 -0.0053 -0.0005 154 ILE B N 5877 C CA . ILE B 154 ? 0.0758 0.0773 0.0813 0.0047 -0.0052 -0.0003 154 ILE B CA 5878 C C . ILE B 154 ? 0.1095 0.1123 0.1159 0.0040 -0.0057 -0.0001 154 ILE B C 5879 O O . ILE B 154 ? 0.1208 0.1246 0.1275 0.0040 -0.0062 0.0001 154 ILE B O 5880 C CB . ILE B 154 ? 0.1003 0.1029 0.1062 0.0055 -0.0048 0.0000 154 ILE B CB 5881 C CG1 . ILE B 154 ? 0.1095 0.1107 0.1146 0.0062 -0.0042 -0.0002 154 ILE B CG1 5882 C CG2 . ILE B 154 ? 0.1081 0.1123 0.1151 0.0052 -0.0047 0.0003 154 ILE B CG2 5883 C CD1 . ILE B 154 ? 0.1564 0.1584 0.1617 0.0071 -0.0037 -0.0001 154 ILE B CD1 5895 N N . GLY B 155 ? 0.1056 0.1086 0.1126 0.0032 -0.0057 -0.0001 155 GLY B N 5896 C CA . GLY B 155 ? 0.1185 0.1227 0.1264 0.0025 -0.0063 0.0002 155 GLY B CA 5897 C C . GLY B 155 ? 0.1151 0.1201 0.1239 0.0020 -0.0060 0.0004 155 GLY B C 5898 O O . GLY B 155 ? 0.1035 0.1081 0.1121 0.0023 -0.0055 0.0004 155 GLY B O 5902 N N . ASP B 156 ? 0.1002 0.1064 0.1100 0.0012 -0.0065 0.0007 156 ASP B N 5903 C CA . ASP B 156 ? 0.1041 0.1111 0.1148 0.0006 -0.0064 0.0010 156 ASP B CA 5904 C C . ASP B 156 ? 0.1017 0.1097 0.1126 0.0012 -0.0058 0.0013 156 ASP B C 5905 O O . ASP B 156 ? 0.0987 0.1064 0.1096 0.0011 -0.0053 0.0014 156 ASP B O 5906 C CB . ASP B 156 ? 0.1175 0.1227 0.1278 0.0000 -0.0063 0.0008 156 ASP B CB 5907 C CG . ASP B 156 ? 0.1862 0.1907 0.1965 -0.0007 -0.0070 0.0006 156 ASP B CG 5908 O OD1 . ASP B 156 ? 0.2031 0.2086 0.2139 -0.0009 -0.0075 0.0006 156 ASP B OD1 5909 O OD2 . ASP B 156 ? 0.2047 0.2076 0.2145 -0.0010 -0.0070 0.0002 156 ASP B OD2 5914 N N . LEU B 157 ? 0.0936 0.1030 0.1048 0.0019 -0.0057 0.0015 157 LEU B N 5915 C CA . LEU B 157 ? 0.0761 0.0866 0.0875 0.0025 -0.0051 0.0017 157 LEU B CA 5916 C C . LEU B 157 ? 0.0722 0.0850 0.0849 0.0021 -0.0051 0.0023 157 LEU B C 5917 O O . LEU B 157 ? 0.0915 0.1056 0.1050 0.0018 -0.0056 0.0026 157 LEU B O 5918 C CB . LEU B 157 ? 0.1006 0.1113 0.1116 0.0036 -0.0049 0.0016 157 LEU B CB 5919 C CG . LEU B 157 ? 0.1024 0.1138 0.1135 0.0045 -0.0042 0.0017 157 LEU B CG 5920 C CD1 . LEU B 157 ? 0.1222 0.1324 0.1323 0.0055 -0.0039 0.0014 157 LEU B CD1 5921 C CD2 . LEU B 157 ? 0.1122 0.1262 0.1245 0.0046 -0.0042 0.0022 157 LEU B CD2 5933 N N . TYR B 158 ? 0.0865 0.0997 0.0995 0.0021 -0.0046 0.0025 158 TYR B N 5934 C CA . TYR B 158 ? 0.1060 0.1214 0.1201 0.0017 -0.0046 0.0031 158 TYR B CA 5935 C C . TYR B 158 ? 0.0999 0.1160 0.1138 0.0024 -0.0038 0.0031 158 TYR B C 5936 O O . TYR B 158 ? 0.0900 0.1047 0.1030 0.0028 -0.0034 0.0027 158 TYR B O 5937 C CB . TYR B 158 ? 0.1014 0.1165 0.1160 0.0005 -0.0048 0.0033 158 TYR B CB 5938 C CG . TYR B 158 ? 0.1025 0.1168 0.1172 -0.0002 -0.0055 0.0032 158 TYR B CG 5939 C CD1 . TYR B 158 ? 0.1293 0.1451 0.1452 -0.0009 -0.0061 0.0037 158 TYR B CD1 5940 C CD2 . TYR B 158 ? 0.1194 0.1314 0.1332 -0.0003 -0.0057 0.0027 158 TYR B CD2 5941 C CE1 . TYR B 158 ? 0.1436 0.1586 0.1596 -0.0016 -0.0067 0.0035 158 TYR B CE1 5942 C CE2 . TYR B 158 ? 0.1178 0.1291 0.1317 -0.0010 -0.0064 0.0026 158 TYR B CE2 5943 C CZ . TYR B 158 ? 0.1672 0.1799 0.1822 -0.0016 -0.0069 0.0029 158 TYR B CZ 5944 O OH . TYR B 158 ? 0.1833 0.1953 0.1984 -0.0024 -0.0076 0.0027 158 TYR B OH 5954 N N . MET B 159 ? 0.0943 0.1128 0.1092 0.0026 -0.0036 0.0035 159 MET B N 5955 C CA . MET B 159 ? 0.0810 0.1004 0.0958 0.0033 -0.0029 0.0035 159 MET B CA 5956 C C . MET B 159 ? 0.0927 0.1146 0.1087 0.0028 -0.0028 0.0042 159 MET B C 5957 O O . MET B 159 ? 0.1031 0.1266 0.1202 0.0026 -0.0032 0.0046 159 MET B O 5958 C CB . MET B 159 ? 0.0952 0.1149 0.1097 0.0046 -0.0026 0.0032 159 MET B CB 5959 C CG . MET B 159 ? 0.1149 0.1349 0.1290 0.0054 -0.0018 0.0030 159 MET B CG 5960 S SD . MET B 159 ? 0.1245 0.1445 0.1383 0.0068 -0.0015 0.0027 159 MET B SD 5961 C CE . MET B 159 ? 0.1669 0.1870 0.1801 0.0076 -0.0006 0.0023 159 MET B CE 5971 N N . TRP B 160 ? 0.1035 0.1256 0.1195 0.0026 -0.0024 0.0043 160 TRP B N 5972 C CA . TRP B 160 ? 0.1101 0.1345 0.1271 0.0021 -0.0022 0.0050 160 TRP B CA 5973 C C . TRP B 160 ? 0.1121 0.1378 0.1290 0.0030 -0.0015 0.0049 160 TRP B C 5974 O O . TRP B 160 ? 0.1160 0.1404 0.1317 0.0037 -0.0010 0.0043 160 TRP B O 5975 C CB . TRP B 160 ? 0.1119 0.1355 0.1289 0.0011 -0.0023 0.0052 160 TRP B CB 5976 C CG . TRP B 160 ? 0.1288 0.1510 0.1459 0.0002 -0.0030 0.0053 160 TRP B CG 5977 C CD1 . TRP B 160 ? 0.1289 0.1520 0.1471 -0.0009 -0.0035 0.0060 160 TRP B CD1 5978 C CD2 . TRP B 160 ? 0.1107 0.1303 0.1269 0.0001 -0.0033 0.0048 160 TRP B CD2 5979 N NE1 . TRP B 160 ? 0.1331 0.1543 0.1511 -0.0015 -0.0041 0.0057 160 TRP B NE1 5980 C CE2 . TRP B 160 ? 0.1343 0.1533 0.1510 -0.0009 -0.0040 0.0050 160 TRP B CE2 5981 C CE3 . TRP B 160 ? 0.1052 0.1229 0.1201 0.0008 -0.0031 0.0041 160 TRP B CE3 5982 C CZ2 . TRP B 160 ? 0.1299 0.1466 0.1459 -0.0012 -0.0043 0.0046 160 TRP B CZ2 5983 C CZ3 . TRP B 160 ? 0.1044 0.1198 0.1186 0.0005 -0.0034 0.0037 160 TRP B CZ3 5984 C CH2 . TRP B 160 ? 0.1118 0.1268 0.1265 -0.0005 -0.0041 0.0039 160 TRP B CH2 5995 N N . ASP B 161 ? 0.1143 0.1426 0.1322 0.0029 -0.0013 0.0055 161 ASP B N 5996 C CA . ASP B 161 ? 0.1256 0.1554 0.1434 0.0037 -0.0005 0.0055 161 ASP B CA 5997 C C . ASP B 161 ? 0.1390 0.1692 0.1566 0.0032 -0.0001 0.0057 161 ASP B C 5998 O O . ASP B 161 ? 0.1543 0.1865 0.1722 0.0035 0.0004 0.0059 161 ASP B O 5999 C CB . ASP B 161 ? 0.1409 0.1737 0.1600 0.0041 -0.0004 0.0060 161 ASP B CB 6000 C CG . ASP B 161 ? 0.1839 0.2187 0.2042 0.0030 -0.0007 0.0069 161 ASP B CG 6001 O OD1 . ASP B 161 ? 0.1694 0.2033 0.1898 0.0019 -0.0010 0.0072 161 ASP B OD1 6002 O OD2 . ASP B 161 ? 0.2445 0.2819 0.2658 0.0032 -0.0005 0.0073 161 ASP B OD2 6007 N N . SER B 162 ? 0.1167 0.1450 0.1338 0.0025 -0.0004 0.0056 162 SER B N 6008 C CA . SER B 162 ? 0.1325 0.1607 0.1492 0.0020 -0.0001 0.0058 162 SER B CA 6009 C C . SER B 162 ? 0.1275 0.1529 0.1429 0.0020 -0.0002 0.0052 162 SER B C 6010 O O . SER B 162 ? 0.1266 0.1502 0.1416 0.0022 -0.0005 0.0047 162 SER B O 6011 C CB . SER B 162 ? 0.1731 0.2023 0.1909 0.0007 -0.0005 0.0067 162 SER B CB 6012 O OG . SER B 162 ? 0.1811 0.2086 0.1991 0.0000 -0.0013 0.0067 162 SER B OG 6018 N N . VAL B 163 ? 0.1418 0.1672 0.1568 0.0018 0.0002 0.0052 163 VAL B N 6019 C CA . VAL B 163 ? 0.1430 0.1660 0.1569 0.0016 0.0001 0.0048 163 VAL B CA 6020 C C . VAL B 163 ? 0.1466 0.1688 0.1609 0.0005 -0.0004 0.0053 163 VAL B C 6021 O O . VAL B 163 ? 0.1912 0.2146 0.2061 -0.0002 -0.0004 0.0060 163 VAL B O 6022 C CB . VAL B 163 ? 0.1533 0.1767 0.1664 0.0019 0.0007 0.0045 163 VAL B CB 6023 C CG1 . VAL B 163 ? 0.1500 0.1710 0.1621 0.0017 0.0007 0.0041 163 VAL B CG1 6024 C CG2 . VAL B 163 ? 0.2176 0.2418 0.2303 0.0031 0.0013 0.0039 163 VAL B CG2 6034 N N . LEU B 164 ? 0.1486 0.1687 0.1626 0.0003 -0.0009 0.0050 164 LEU B N 6035 C CA . LEU B 164 ? 0.1641 0.1832 0.1786 -0.0007 -0.0014 0.0054 164 LEU B CA 6036 C C . LEU B 164 ? 0.1442 0.1624 0.1581 -0.0010 -0.0013 0.0054 164 LEU B C 6037 O O . LEU B 164 ? 0.1715 0.1885 0.1843 -0.0005 -0.0010 0.0048 164 LEU B O 6038 C CB . LEU B 164 ? 0.1580 0.1751 0.1722 -0.0008 -0.0020 0.0049 164 LEU B CB 6039 C CG . LEU B 164 ? 0.2178 0.2357 0.2327 -0.0007 -0.0023 0.0050 164 LEU B CG 6040 C CD1 . LEU B 164 ? 0.1926 0.2085 0.2072 -0.0009 -0.0029 0.0046 164 LEU B CD1 6041 C CD2 . LEU B 164 ? 0.2511 0.2712 0.2674 -0.0013 -0.0025 0.0058 164 LEU B CD2 6053 N N . PRO B 165 ? 0.1590 0.1777 0.1736 -0.0019 -0.0015 0.0062 165 PRO B N 6054 C CA . PRO B 165 ? 0.1585 0.1760 0.1726 -0.0023 -0.0014 0.0063 165 PRO B CA 6055 C C . PRO B 165 ? 0.1521 0.1671 0.1658 -0.0025 -0.0019 0.0058 165 PRO B C 6056 O O . PRO B 165 ? 0.1553 0.1695 0.1692 -0.0025 -0.0023 0.0056 165 PRO B O 6057 C CB . PRO B 165 ? 0.2010 0.2199 0.2161 -0.0032 -0.0016 0.0073 165 PRO B CB 6058 C CG . PRO B 165 ? 0.2165 0.2361 0.2328 -0.0036 -0.0020 0.0076 165 PRO B CG 6059 C CD . PRO B 165 ? 0.1675 0.1877 0.1834 -0.0027 -0.0018 0.0070 165 PRO B CD 6067 N N . PRO B 166 ? 0.1663 0.1800 0.1793 -0.0026 -0.0018 0.0057 166 PRO B N 6068 C CA . PRO B 166 ? 0.1913 0.2027 0.2038 -0.0026 -0.0021 0.0052 166 PRO B CA 6069 C C . PRO B 166 ? 0.1820 0.1926 0.1953 -0.0033 -0.0027 0.0055 166 PRO B C 6070 O O . PRO B 166 ? 0.1754 0.1845 0.1884 -0.0032 -0.0030 0.0049 166 PRO B O 6071 C CB . PRO B 166 ? 0.1799 0.1906 0.1919 -0.0028 -0.0019 0.0053 166 PRO B CB 6072 C CG . PRO B 166 ? 0.2074 0.2199 0.2191 -0.0025 -0.0014 0.0054 166 PRO B CG 6073 C CD . PRO B 166 ? 0.2070 0.2216 0.2197 -0.0026 -0.0014 0.0060 166 PRO B CD 6081 N N . GLU B 167 ? 0.1799 0.1916 0.1943 -0.0041 -0.0030 0.0063 167 GLU B N 6082 C CA . GLU B 167 ? 0.1828 0.1936 0.1979 -0.0048 -0.0036 0.0065 167 GLU B CA 6083 C C . GLU B 167 ? 0.1666 0.1776 0.1820 -0.0046 -0.0039 0.0061 167 GLU B C 6084 O O . GLU B 167 ? 0.1849 0.1945 0.2003 -0.0048 -0.0043 0.0058 167 GLU B O 6085 C CB . GLU B 167 ? 0.2184 0.2303 0.2346 -0.0057 -0.0038 0.0075 167 GLU B CB 6086 C CG . GLU B 167 ? 0.2616 0.2761 0.2786 -0.0058 -0.0035 0.0082 167 GLU B CG 6087 C CD . GLU B 167 ? 0.2595 0.2754 0.2761 -0.0054 -0.0029 0.0085 167 GLU B CD 6088 O OE1 . GLU B 167 ? 0.3600 0.3780 0.3774 -0.0057 -0.0028 0.0092 167 GLU B OE1 6089 O OE2 . GLU B 167 ? 0.2533 0.2683 0.2688 -0.0049 -0.0026 0.0080 167 GLU B OE2 6096 N N . ASN B 168 ? 0.1584 0.1711 0.1738 -0.0041 -0.0036 0.0061 168 ASN B N 6097 C CA . ASN B 168 ? 0.1632 0.1763 0.1789 -0.0039 -0.0038 0.0059 168 ASN B CA 6098 C C . ASN B 168 ? 0.1527 0.1642 0.1672 -0.0031 -0.0038 0.0049 168 ASN B C 6099 O O . ASN B 168 ? 0.1525 0.1635 0.1671 -0.0031 -0.0041 0.0046 168 ASN B O 6100 C CB . ASN B 168 ? 0.1683 0.1838 0.1845 -0.0036 -0.0035 0.0062 168 ASN B CB 6101 C CG . ASN B 168 ? 0.2244 0.2417 0.2419 -0.0044 -0.0037 0.0072 168 ASN B CG 6102 O OD1 . ASN B 168 ? 0.3170 0.3337 0.3351 -0.0053 -0.0041 0.0076 168 ASN B OD1 6103 N ND2 . ASN B 168 ? 0.2124 0.2320 0.2303 -0.0041 -0.0033 0.0075 168 ASN B ND2 6110 N N . ILE B 169 ? 0.1465 0.1573 0.1601 -0.0025 -0.0033 0.0046 169 ILE B N 6111 C CA A ILE B 169 ? 0.1419 0.1511 0.1544 -0.0019 -0.0032 0.0037 169 ILE B CA 6112 C CA B ILE B 169 ? 0.1456 0.1548 0.1581 -0.0019 -0.0032 0.0037 169 ILE B CA 6113 C C . ILE B 169 ? 0.1322 0.1394 0.1445 -0.0023 -0.0037 0.0035 169 ILE B C 6114 O O . ILE B 169 ? 0.1506 0.1568 0.1625 -0.0021 -0.0039 0.0030 169 ILE B O 6115 C CB A ILE B 169 ? 0.1489 0.1578 0.1605 -0.0013 -0.0026 0.0034 169 ILE B CB 6116 C CB B ILE B 169 ? 0.1450 0.1540 0.1566 -0.0012 -0.0026 0.0034 169 ILE B CB 6117 C CG1 A ILE B 169 ? 0.1893 0.2000 0.2009 -0.0007 -0.0021 0.0035 169 ILE B CG1 6118 C CG1 B ILE B 169 ? 0.1676 0.1785 0.1794 -0.0007 -0.0022 0.0035 169 ILE B CG1 6119 C CG2 A ILE B 169 ? 0.1423 0.1492 0.1528 -0.0007 -0.0026 0.0026 169 ILE B CG2 6120 C CG2 B ILE B 169 ? 0.1430 0.1501 0.1535 -0.0007 -0.0026 0.0026 169 ILE B CG2 6121 C CD1 A ILE B 169 ? 0.2089 0.2197 0.2202 0.0001 -0.0020 0.0030 169 ILE B CD1 6122 C CD1 B ILE B 169 ? 0.1466 0.1575 0.1576 -0.0002 -0.0016 0.0033 169 ILE B CD1 6145 N N . LEU B 170 ? 0.1559 0.1625 0.1684 -0.0029 -0.0038 0.0038 170 LEU B N 6146 C CA A LEU B 170 ? 0.1665 0.1713 0.1789 -0.0033 -0.0042 0.0036 170 LEU B CA 6147 C CA B LEU B 170 ? 0.1691 0.1738 0.1815 -0.0033 -0.0042 0.0036 170 LEU B CA 6148 C C . LEU B 170 ? 0.1620 0.1667 0.1751 -0.0038 -0.0048 0.0036 170 LEU B C 6149 O O . LEU B 170 ? 0.1580 0.1613 0.1707 -0.0037 -0.0051 0.0031 170 LEU B O 6150 C CB A LEU B 170 ? 0.2097 0.2140 0.2225 -0.0038 -0.0042 0.0040 170 LEU B CB 6151 C CB B LEU B 170 ? 0.2244 0.2287 0.2371 -0.0038 -0.0042 0.0040 170 LEU B CB 6152 C CG A LEU B 170 ? 0.3101 0.3140 0.3220 -0.0034 -0.0037 0.0039 170 LEU B CG 6153 C CG B LEU B 170 ? 0.3293 0.3326 0.3410 -0.0034 -0.0038 0.0036 170 LEU B CG 6154 C CD1 A LEU B 170 ? 0.4037 0.4070 0.4159 -0.0040 -0.0038 0.0043 170 LEU B CD1 6155 C CD1 B LEU B 170 ? 0.3089 0.3131 0.3199 -0.0026 -0.0032 0.0034 170 LEU B CD1 6156 C CD2 A LEU B 170 ? 0.3235 0.3257 0.3342 -0.0028 -0.0036 0.0030 170 LEU B CD2 6157 C CD2 B LEU B 170 ? 0.3822 0.3853 0.3943 -0.0038 -0.0037 0.0042 170 LEU B CD2 6180 N N . SER B 171 ? 0.1572 0.1637 0.1714 -0.0042 -0.0049 0.0042 171 SER B N 6181 C CA . SER B 171 ? 0.1526 0.1592 0.1674 -0.0047 -0.0055 0.0042 171 SER B CA 6182 C C . SER B 171 ? 0.1829 0.1894 0.1971 -0.0040 -0.0056 0.0036 171 SER B C 6183 O O . SER B 171 ? 0.1808 0.1862 0.1948 -0.0042 -0.0060 0.0032 171 SER B O 6184 C CB . SER B 171 ? 0.1967 0.2055 0.2127 -0.0052 -0.0056 0.0050 171 SER B CB 6185 O OG . SER B 171 ? 0.2681 0.2770 0.2848 -0.0059 -0.0056 0.0057 171 SER B OG 6191 N N . ALA B 172 ? 0.1806 0.1880 0.1944 -0.0033 -0.0051 0.0035 172 ALA B N 6192 C CA . ALA B 172 ? 0.1549 0.1621 0.1681 -0.0026 -0.0052 0.0029 172 ALA B CA 6193 C C . ALA B 172 ? 0.1585 0.1634 0.1706 -0.0023 -0.0052 0.0023 172 ALA B C 6194 O O . ALA B 172 ? 0.1676 0.1718 0.1794 -0.0023 -0.0056 0.0019 172 ALA B O 6195 C CB . ALA B 172 ? 0.1319 0.1403 0.1448 -0.0018 -0.0046 0.0030 172 ALA B CB 6201 N N . TYR B 173 ? 0.1603 0.1642 0.1718 -0.0022 -0.0049 0.0021 173 TYR B N 6202 C CA . TYR B 173 ? 0.1317 0.1336 0.1422 -0.0019 -0.0048 0.0015 173 TYR B CA 6203 C C . TYR B 173 ? 0.1615 0.1622 0.1722 -0.0025 -0.0054 0.0014 173 TYR B C 6204 O O . TYR B 173 ? 0.1788 0.1784 0.1888 -0.0023 -0.0056 0.0008 173 TYR B O 6205 C CB . TYR B 173 ? 0.1636 0.1648 0.1736 -0.0018 -0.0044 0.0015 173 TYR B CB 6206 C CG . TYR B 173 ? 0.1546 0.1538 0.1637 -0.0016 -0.0044 0.0010 173 TYR B CG 6207 C CD1 . TYR B 173 ? 0.1715 0.1698 0.1798 -0.0011 -0.0043 0.0004 173 TYR B CD1 6208 C CD2 . TYR B 173 ? 0.2162 0.2146 0.2255 -0.0020 -0.0044 0.0011 173 TYR B CD2 6209 C CE1 . TYR B 173 ? 0.2040 0.2007 0.2116 -0.0010 -0.0043 0.0000 173 TYR B CE1 6210 C CE2 . TYR B 173 ? 0.2314 0.2282 0.2399 -0.0019 -0.0043 0.0006 173 TYR B CE2 6211 C CZ . TYR B 173 ? 0.2473 0.2433 0.2550 -0.0014 -0.0043 0.0001 173 TYR B CZ 6212 O OH . TYR B 173 ? 0.3038 0.2982 0.3108 -0.0012 -0.0042 -0.0003 173 TYR B OH 6222 N N . GLN B 174 ? 0.1730 0.1742 0.1847 -0.0033 -0.0057 0.0018 174 GLN B N 6223 C CA . GLN B 174 ? 0.2061 0.2061 0.2180 -0.0039 -0.0062 0.0017 174 GLN B CA 6224 C C . GLN B 174 ? 0.2529 0.2534 0.2653 -0.0042 -0.0068 0.0016 174 GLN B C 6225 O O . GLN B 174 ? 0.3026 0.3021 0.3151 -0.0047 -0.0073 0.0013 174 GLN B O 6226 C CB . GLN B 174 ? 0.2134 0.2135 0.2262 -0.0047 -0.0063 0.0023 174 GLN B CB 6227 C CG . GLN B 174 ? 0.2544 0.2537 0.2668 -0.0045 -0.0059 0.0024 174 GLN B CG 6228 C CD . GLN B 174 ? 0.3924 0.3924 0.4057 -0.0052 -0.0059 0.0032 174 GLN B CD 6229 O OE1 . GLN B 174 ? 0.3883 0.3893 0.4026 -0.0058 -0.0062 0.0037 174 GLN B OE1 6230 N NE2 . GLN B 174 ? 0.4921 0.4919 0.5052 -0.0050 -0.0055 0.0034 174 GLN B NE2 6239 N N . GLY B 175 ? 0.2013 0.2034 0.2138 -0.0039 -0.0067 0.0017 175 GLY B N 6240 C CA . GLY B 175 ? 0.2099 0.2126 0.2227 -0.0041 -0.0072 0.0016 175 GLY B CA 6241 C C . GLY B 175 ? 0.1999 0.2041 0.2140 -0.0049 -0.0076 0.0022 175 GLY B C 6242 O O . GLY B 175 ? 0.2494 0.2541 0.2640 -0.0052 -0.0082 0.0021 175 GLY B O 6246 N N . THR B 176 ? 0.1802 0.1854 0.1951 -0.0051 -0.0073 0.0028 176 THR B N 6247 C CA . THR B 176 ? 0.2024 0.2093 0.2186 -0.0059 -0.0076 0.0036 176 THR B CA 6248 C C . THR B 176 ? 0.1964 0.2054 0.2130 -0.0054 -0.0070 0.0041 176 THR B C 6249 O O . THR B 176 ? 0.2212 0.2310 0.2384 -0.0058 -0.0068 0.0047 176 THR B O 6250 C CB . THR B 176 ? 0.2648 0.2710 0.2817 -0.0068 -0.0078 0.0039 176 THR B CB 6251 O OG1 . THR B 176 ? 0.2854 0.2909 0.3019 -0.0066 -0.0073 0.0041 176 THR B OG1 6252 C CG2 . THR B 176 ? 0.3195 0.3237 0.3361 -0.0072 -0.0084 0.0033 176 THR B CG2 6260 N N . PRO B 177 ? 0.1835 0.1933 0.1996 -0.0046 -0.0068 0.0039 177 PRO B N 6261 C CA . PRO B 177 ? 0.1613 0.1730 0.1777 -0.0041 -0.0063 0.0043 177 PRO B CA 6262 C C . PRO B 177 ? 0.1891 0.2031 0.2069 -0.0048 -0.0065 0.0051 177 PRO B C 6263 O O . PRO B 177 ? 0.2280 0.2424 0.2465 -0.0054 -0.0071 0.0052 177 PRO B O 6264 C CB . PRO B 177 ? 0.1858 0.1977 0.2015 -0.0031 -0.0061 0.0038 177 PRO B CB 6265 C CG . PRO B 177 ? 0.1856 0.1966 0.2011 -0.0034 -0.0068 0.0034 177 PRO B CG 6266 C CD . PRO B 177 ? 0.2079 0.2169 0.2232 -0.0041 -0.0070 0.0032 177 PRO B CD 6274 N N . LEU B 178 ? 0.1908 0.2062 0.2089 -0.0046 -0.0059 0.0056 178 LEU B N 6275 C CA . LEU B 178 ? 0.2125 0.2304 0.2319 -0.0050 -0.0060 0.0063 178 LEU B CA 6276 C C . LEU B 178 ? 0.2614 0.2806 0.2809 -0.0043 -0.0060 0.0061 178 LEU B C 6277 O O . LEU B 178 ? 0.2109 0.2296 0.2294 -0.0033 -0.0057 0.0056 178 LEU B O 6278 C CB . LEU B 178 ? 0.2704 0.2895 0.2899 -0.0048 -0.0053 0.0068 178 LEU B CB 6279 C CG . LEU B 178 ? 0.4121 0.4307 0.4321 -0.0057 -0.0054 0.0074 178 LEU B CG 6280 C CD1 . LEU B 178 ? 0.3799 0.3960 0.3988 -0.0056 -0.0054 0.0068 178 LEU B CD1 6281 C CD2 . LEU B 178 ? 0.5450 0.5656 0.5655 -0.0058 -0.0049 0.0081 178 LEU B CD2 6293 N N . PRO B 179 ? 0.2290 0.2498 0.2496 -0.0049 -0.0065 0.0066 179 PRO B N 6294 C CA . PRO B 179 ? 0.1937 0.2161 0.2146 -0.0042 -0.0065 0.0065 179 PRO B CA 6295 C C . PRO B 179 ? 0.1613 0.1850 0.1819 -0.0031 -0.0057 0.0065 179 PRO B C 6296 O O . PRO B 179 ? 0.1699 0.1944 0.1906 -0.0032 -0.0052 0.0069 179 PRO B O 6297 C CB . PRO B 179 ? 0.3258 0.3503 0.3482 -0.0051 -0.0070 0.0072 179 PRO B CB 6298 C CG . PRO B 179 ? 0.4170 0.4401 0.4398 -0.0064 -0.0075 0.0073 179 PRO B CG 6299 C CD . PRO B 179 ? 0.3621 0.3835 0.3839 -0.0061 -0.0070 0.0072 179 PRO B CD 6307 N N . ALA B 180 ? 0.1541 0.1778 0.1741 -0.0022 -0.0056 0.0061 180 ALA B N 6308 C CA . ALA B 180 ? 0.1344 0.1586 0.1539 -0.0010 -0.0049 0.0059 180 ALA B CA 6309 C C . ALA B 180 ? 0.1447 0.1712 0.1649 -0.0004 -0.0049 0.0062 180 ALA B C 6310 O O . ALA B 180 ? 0.2117 0.2387 0.2324 -0.0006 -0.0054 0.0062 180 ALA B O 6311 C CB . ALA B 180 ? 0.1376 0.1594 0.1556 -0.0002 -0.0048 0.0051 180 ALA B CB 6317 N N . ASN B 181 ? 0.1098 0.1378 0.1301 0.0003 -0.0042 0.0063 181 ASN B N 6318 C CA . ASN B 181 ? 0.1072 0.1379 0.1286 0.0008 -0.0041 0.0067 181 ASN B CA 6319 C C . ASN B 181 ? 0.1542 0.1851 0.1751 0.0022 -0.0037 0.0063 181 ASN B C 6320 O O . ASN B 181 ? 0.2382 0.2711 0.2599 0.0026 -0.0038 0.0066 181 ASN B O 6321 C CB . ASN B 181 ? 0.1216 0.1547 0.1440 0.0004 -0.0037 0.0074 181 ASN B CB 6322 C CG . ASN B 181 ? 0.1587 0.1914 0.1803 0.0010 -0.0029 0.0072 181 ASN B CG 6323 O OD1 . ASN B 181 ? 0.1458 0.1763 0.1660 0.0015 -0.0027 0.0066 181 ASN B OD1 6324 N ND2 . ASN B 181 ? 0.2055 0.2404 0.2278 0.0008 -0.0024 0.0078 181 ASN B ND2 6331 N N . ILE B 182 ? 0.0961 0.1248 0.1156 0.0029 -0.0034 0.0057 182 ILE B N 6332 C CA . ILE B 182 ? 0.1041 0.1328 0.1231 0.0042 -0.0031 0.0053 182 ILE B CA 6333 C C . ILE B 182 ? 0.1147 0.1418 0.1332 0.0043 -0.0037 0.0050 182 ILE B C 6334 O O . ILE B 182 ? 0.1234 0.1516 0.1423 0.0049 -0.0039 0.0051 182 ILE B O 6335 C CB . ILE B 182 ? 0.0912 0.1185 0.1090 0.0050 -0.0024 0.0047 182 ILE B CB 6336 C CG1 . ILE B 182 ? 0.1210 0.1499 0.1393 0.0050 -0.0018 0.0050 182 ILE B CG1 6337 C CG2 . ILE B 182 ? 0.1387 0.1657 0.1560 0.0064 -0.0021 0.0043 182 ILE B CG2 6338 C CD1 . ILE B 182 ? 0.1348 0.1625 0.1519 0.0057 -0.0011 0.0044 182 ILE B CD1 6350 N N . LEU B 183 ? 0.1054 0.1302 0.1230 0.0037 -0.0040 0.0046 183 LEU B N 6351 C CA . LEU B 183 ? 0.0822 0.1055 0.0993 0.0036 -0.0046 0.0043 183 LEU B CA 6352 C C . LEU B 183 ? 0.0937 0.1157 0.1107 0.0024 -0.0051 0.0043 183 LEU B C 6353 O O . LEU B 183 ? 0.0973 0.1184 0.1141 0.0019 -0.0048 0.0042 183 LEU B O 6354 C CB . LEU B 183 ? 0.0933 0.1143 0.1089 0.0045 -0.0043 0.0037 183 LEU B CB 6355 C CG . LEU B 183 ? 0.1005 0.1222 0.1160 0.0058 -0.0038 0.0036 183 LEU B CG 6356 C CD1 . LEU B 183 ? 0.1190 0.1384 0.1332 0.0066 -0.0034 0.0030 183 LEU B CD1 6357 C CD2 . LEU B 183 ? 0.1217 0.1448 0.1378 0.0063 -0.0042 0.0039 183 LEU B CD2 6369 N N . ASP B 184 ? 0.1037 0.1257 0.1210 0.0018 -0.0058 0.0043 184 ASP B N 6370 C CA . ASP B 184 ? 0.1056 0.1264 0.1229 0.0007 -0.0063 0.0042 184 ASP B CA 6371 C C . ASP B 184 ? 0.0943 0.1139 0.1111 0.0006 -0.0069 0.0038 184 ASP B C 6372 O O . ASP B 184 ? 0.1113 0.1321 0.1284 0.0007 -0.0074 0.0040 184 ASP B O 6373 C CB . ASP B 184 ? 0.1304 0.1531 0.1491 -0.0003 -0.0067 0.0049 184 ASP B CB 6374 C CG . ASP B 184 ? 0.1879 0.2094 0.2068 -0.0016 -0.0071 0.0048 184 ASP B CG 6375 O OD1 . ASP B 184 ? 0.1729 0.1932 0.1914 -0.0019 -0.0077 0.0045 184 ASP B OD1 6376 O OD2 . ASP B 184 ? 0.2587 0.2804 0.2780 -0.0021 -0.0069 0.0052 184 ASP B OD2 6381 N N . TRP B 185 ? 0.1010 0.1181 0.1167 0.0004 -0.0070 0.0033 185 TRP B N 6382 C CA . TRP B 185 ? 0.1138 0.1295 0.1287 0.0003 -0.0075 0.0029 185 TRP B CA 6383 C C . TRP B 185 ? 0.1264 0.1430 0.1421 -0.0006 -0.0083 0.0030 185 TRP B C 6384 O O . TRP B 185 ? 0.1273 0.1436 0.1425 -0.0004 -0.0088 0.0027 185 TRP B O 6385 C CB . TRP B 185 ? 0.1150 0.1282 0.1288 0.0001 -0.0073 0.0024 185 TRP B CB 6386 C CG . TRP B 185 ? 0.0938 0.1053 0.1064 0.0005 -0.0075 0.0018 185 TRP B CG 6387 C CD1 . TRP B 185 ? 0.0990 0.1093 0.1113 -0.0001 -0.0080 0.0014 185 TRP B CD1 6388 C CD2 . TRP B 185 ? 0.0978 0.1090 0.1097 0.0016 -0.0072 0.0016 185 TRP B CD2 6389 N NE1 . TRP B 185 ? 0.1237 0.1327 0.1348 0.0005 -0.0080 0.0010 185 TRP B NE1 6390 C CE2 . TRP B 185 ? 0.0978 0.1072 0.1086 0.0015 -0.0076 0.0012 185 TRP B CE2 6391 C CE3 . TRP B 185 ? 0.1074 0.1193 0.1192 0.0025 -0.0067 0.0018 185 TRP B CE3 6392 C CZ2 . TRP B 185 ? 0.1249 0.1336 0.1348 0.0024 -0.0074 0.0009 185 TRP B CZ2 6393 C CZ3 . TRP B 185 ? 0.1167 0.1275 0.1275 0.0034 -0.0065 0.0015 185 TRP B CZ3 6394 C CH2 . TRP B 185 ? 0.1250 0.1343 0.1349 0.0033 -0.0069 0.0012 185 TRP B CH2 6405 N N . GLN B 186 ? 0.1096 0.1272 0.1263 -0.0015 -0.0085 0.0034 186 GLN B N 6406 C CA A GLN B 186 ? 0.1306 0.1491 0.1482 -0.0025 -0.0093 0.0035 186 GLN B CA 6407 C CA B GLN B 186 ? 0.1260 0.1444 0.1436 -0.0025 -0.0093 0.0035 186 GLN B CA 6408 C C . GLN B 186 ? 0.1419 0.1629 0.1605 -0.0023 -0.0096 0.0040 186 GLN B C 6409 O O . GLN B 186 ? 0.1437 0.1656 0.1630 -0.0031 -0.0103 0.0041 186 GLN B O 6410 C CB A GLN B 186 ? 0.1543 0.1728 0.1727 -0.0036 -0.0094 0.0038 186 GLN B CB 6411 C CB B GLN B 186 ? 0.1645 0.1825 0.1828 -0.0037 -0.0095 0.0037 186 GLN B CB 6412 C CG A GLN B 186 ? 0.2143 0.2305 0.2322 -0.0043 -0.0097 0.0033 186 GLN B CG 6413 C CG B GLN B 186 ? 0.1598 0.1753 0.1771 -0.0038 -0.0093 0.0032 186 GLN B CG 6414 C CD A GLN B 186 ? 0.2443 0.2587 0.2612 -0.0038 -0.0091 0.0031 186 GLN B CD 6415 C CD B GLN B 186 ? 0.2706 0.2855 0.2886 -0.0051 -0.0097 0.0034 186 GLN B CD 6416 O OE1 A GLN B 186 ? 0.2629 0.2775 0.2802 -0.0040 -0.0087 0.0035 186 GLN B OE1 6417 O OE1 B GLN B 186 ? 0.3173 0.3337 0.3365 -0.0057 -0.0097 0.0040 186 GLN B OE1 6418 N NE2 A GLN B 186 ? 0.2787 0.2913 0.2943 -0.0033 -0.0090 0.0025 186 GLN B NE2 6419 N NE2 B GLN B 186 ? 0.4544 0.4671 0.4716 -0.0054 -0.0099 0.0028 186 GLN B NE2 6436 N N . ALA B 187 ? 0.1433 0.1656 0.1621 -0.0014 -0.0090 0.0043 187 ALA B N 6437 C CA . ALA B 187 ? 0.1597 0.1846 0.1795 -0.0010 -0.0091 0.0047 187 ALA B CA 6438 C C . ALA B 187 ? 0.1328 0.1581 0.1521 0.0004 -0.0085 0.0047 187 ALA B C 6439 O O . ALA B 187 ? 0.1441 0.1710 0.1640 0.0010 -0.0080 0.0051 187 ALA B O 6440 C CB . ALA B 187 ? 0.1563 0.1833 0.1776 -0.0017 -0.0092 0.0054 187 ALA B CB 6446 N N . LEU B 188 ? 0.1356 0.1593 0.1537 0.0011 -0.0086 0.0043 188 LEU B N 6447 C CA . LEU B 188 ? 0.1169 0.1402 0.1343 0.0024 -0.0080 0.0041 188 LEU B CA 6448 C C . LEU B 188 ? 0.1146 0.1395 0.1323 0.0032 -0.0082 0.0044 188 LEU B C 6449 O O . LEU B 188 ? 0.1496 0.1745 0.1672 0.0029 -0.0089 0.0043 188 LEU B O 6450 C CB . LEU B 188 ? 0.1203 0.1407 0.1361 0.0027 -0.0078 0.0035 188 LEU B CB 6451 C CG . LEU B 188 ? 0.1393 0.1588 0.1542 0.0039 -0.0070 0.0033 188 LEU B CG 6452 C CD1 . LEU B 188 ? 0.1449 0.1645 0.1601 0.0039 -0.0064 0.0034 188 LEU B CD1 6453 C CD2 . LEU B 188 ? 0.1437 0.1607 0.1572 0.0041 -0.0071 0.0028 188 LEU B CD2 6465 N N . ASN B 189 ? 0.1098 0.1358 0.1278 0.0043 -0.0076 0.0046 189 ASN B N 6466 C CA A ASN B 189 ? 0.1072 0.1345 0.1254 0.0053 -0.0077 0.0049 189 ASN B CA 6467 C CA B ASN B 189 ? 0.1167 0.1439 0.1349 0.0053 -0.0078 0.0049 189 ASN B CA 6468 C C . ASN B 189 ? 0.1038 0.1292 0.1207 0.0064 -0.0072 0.0045 189 ASN B C 6469 O O . ASN B 189 ? 0.1477 0.1725 0.1644 0.0070 -0.0065 0.0044 189 ASN B O 6470 C CB A ASN B 189 ? 0.1283 0.1583 0.1478 0.0057 -0.0074 0.0054 189 ASN B CB 6471 C CB B ASN B 189 ? 0.1265 0.1567 0.1462 0.0056 -0.0075 0.0054 189 ASN B CB 6472 C CG A ASN B 189 ? 0.1525 0.1842 0.1726 0.0067 -0.0076 0.0058 189 ASN B CG 6473 C CG B ASN B 189 ? 0.2666 0.2988 0.2875 0.0046 -0.0082 0.0059 189 ASN B CG 6474 O OD1 A ASN B 189 ? 0.2346 0.2657 0.2541 0.0069 -0.0081 0.0057 189 ASN B OD1 6475 O OD1 B ASN B 189 ? 0.3704 0.4042 0.3924 0.0040 -0.0081 0.0062 189 ASN B OD1 6476 N ND2 A ASN B 189 ? 0.1784 0.2126 0.1997 0.0072 -0.0072 0.0062 189 ASN B ND2 6477 N ND2 B ASN B 189 ? 0.3362 0.3686 0.3571 0.0042 -0.0090 0.0059 189 ASN B ND2 6490 N N . TYR B 190 ? 0.1057 0.1300 0.1218 0.0067 -0.0077 0.0043 190 TYR B N 6491 C CA . TYR B 190 ? 0.1277 0.1500 0.1426 0.0076 -0.0073 0.0040 190 TYR B CA 6492 C C . TYR B 190 ? 0.1420 0.1647 0.1567 0.0084 -0.0076 0.0042 190 TYR B C 6493 O O . TYR B 190 ? 0.1406 0.1649 0.1559 0.0080 -0.0083 0.0045 190 TYR B O 6494 C CB . TYR B 190 ? 0.1188 0.1384 0.1324 0.0070 -0.0073 0.0034 190 TYR B CB 6495 C CG . TYR B 190 ? 0.1097 0.1290 0.1231 0.0061 -0.0081 0.0033 190 TYR B CG 6496 C CD1 . TYR B 190 ? 0.1251 0.1436 0.1376 0.0066 -0.0084 0.0032 190 TYR B CD1 6497 C CD2 . TYR B 190 ? 0.1422 0.1621 0.1562 0.0049 -0.0085 0.0033 190 TYR B CD2 6498 C CE1 . TYR B 190 ? 0.1467 0.1650 0.1589 0.0059 -0.0092 0.0031 190 TYR B CE1 6499 C CE2 . TYR B 190 ? 0.1563 0.1759 0.1700 0.0042 -0.0093 0.0031 190 TYR B CE2 6500 C CZ . TYR B 190 ? 0.1798 0.1987 0.1926 0.0046 -0.0096 0.0030 190 TYR B CZ 6501 O OH . TYR B 190 ? 0.2446 0.2633 0.2571 0.0039 -0.0104 0.0027 190 TYR B OH 6511 N N . GLU B 191 ? 0.1195 0.1409 0.1333 0.0095 -0.0072 0.0041 191 GLU B N 6512 C CA . GLU B 191 ? 0.1160 0.1373 0.1294 0.0103 -0.0074 0.0043 191 GLU B CA 6513 C C . GLU B 191 ? 0.1221 0.1407 0.1340 0.0105 -0.0072 0.0039 191 GLU B C 6514 O O . GLU B 191 ? 0.1327 0.1498 0.1441 0.0110 -0.0066 0.0036 191 GLU B O 6515 C CB . GLU B 191 ? 0.1476 0.1702 0.1616 0.0116 -0.0070 0.0047 191 GLU B CB 6516 C CG . GLU B 191 ? 0.2123 0.2379 0.2279 0.0115 -0.0072 0.0052 191 GLU B CG 6517 C CD . GLU B 191 ? 0.2667 0.2935 0.2830 0.0128 -0.0066 0.0055 191 GLU B CD 6518 O OE1 . GLU B 191 ? 0.2568 0.2820 0.2723 0.0137 -0.0060 0.0052 191 GLU B OE1 6519 O OE2 . GLU B 191 ? 0.3004 0.3298 0.3179 0.0130 -0.0069 0.0060 191 GLU B OE2 6526 N N . ILE B 192 ? 0.1180 0.1358 0.1291 0.0102 -0.0078 0.0038 192 ILE B N 6527 C CA . ILE B 192 ? 0.1177 0.1332 0.1274 0.0105 -0.0077 0.0036 192 ILE B CA 6528 C C . ILE B 192 ? 0.1279 0.1435 0.1374 0.0118 -0.0075 0.0040 192 ILE B C 6529 O O . ILE B 192 ? 0.1297 0.1470 0.1398 0.0121 -0.0080 0.0044 192 ILE B O 6530 C CB . ILE B 192 ? 0.1161 0.1309 0.1251 0.0096 -0.0083 0.0033 192 ILE B CB 6531 C CG1 . ILE B 192 ? 0.1541 0.1680 0.1630 0.0085 -0.0083 0.0028 192 ILE B CG1 6532 C CG2 . ILE B 192 ? 0.1443 0.1572 0.1520 0.0101 -0.0082 0.0032 192 ILE B CG2 6533 C CD1 . ILE B 192 ? 0.1861 0.1995 0.1945 0.0075 -0.0090 0.0025 192 ILE B CD1 6545 N N . ARG B 193 ? 0.1077 0.1214 0.1164 0.0125 -0.0069 0.0038 193 ARG B N 6546 C CA . ARG B 193 ? 0.1128 0.1260 0.1211 0.0137 -0.0067 0.0042 193 ARG B CA 6547 C C . ARG B 193 ? 0.1190 0.1297 0.1259 0.0137 -0.0066 0.0039 193 ARG B C 6548 O O . ARG B 193 ? 0.1295 0.1385 0.1358 0.0134 -0.0062 0.0035 193 ARG B O 6549 C CB . ARG B 193 ? 0.1508 0.1643 0.1597 0.0147 -0.0060 0.0043 193 ARG B CB 6550 C CG . ARG B 193 ? 0.1710 0.1871 0.1814 0.0148 -0.0061 0.0045 193 ARG B CG 6551 C CD . ARG B 193 ? 0.2033 0.2213 0.2144 0.0154 -0.0066 0.0052 193 ARG B CD 6552 N NE . ARG B 193 ? 0.3159 0.3367 0.3284 0.0156 -0.0067 0.0055 193 ARG B NE 6553 C CZ . ARG B 193 ? 0.2941 0.3168 0.3074 0.0146 -0.0073 0.0057 193 ARG B CZ 6554 N NH1 . ARG B 193 ? 0.2063 0.2285 0.2191 0.0135 -0.0079 0.0055 193 ARG B NH1 6555 N NH2 . ARG B 193 ? 0.2926 0.3178 0.3073 0.0148 -0.0073 0.0060 193 ARG B NH2 6569 N N . GLY B 194 ? 0.1429 0.1535 0.1493 0.0141 -0.0070 0.0043 194 GLY B N 6570 C CA . GLY B 194 ? 0.1224 0.1309 0.1274 0.0141 -0.0069 0.0041 194 GLY B CA 6571 C C . GLY B 194 ? 0.1118 0.1196 0.1162 0.0129 -0.0073 0.0037 194 GLY B C 6572 O O . GLY B 194 ? 0.1452 0.1545 0.1501 0.0121 -0.0079 0.0036 194 GLY B O 6576 N N . TYR B 195 ? 0.1119 0.1175 0.1152 0.0127 -0.0070 0.0033 195 TYR B N 6577 C CA . TYR B 195 ? 0.1017 0.1065 0.1042 0.0117 -0.0073 0.0029 195 TYR B CA 6578 C C . TYR B 195 ? 0.0937 0.0981 0.0965 0.0108 -0.0070 0.0023 195 TYR B C 6579 O O . TYR B 195 ? 0.1140 0.1167 0.1163 0.0108 -0.0065 0.0020 195 TYR B O 6580 C CB . TYR B 195 ? 0.1073 0.1102 0.1086 0.0120 -0.0070 0.0029 195 TYR B CB 6581 C CG . TYR B 195 ? 0.0985 0.1005 0.0988 0.0111 -0.0073 0.0025 195 TYR B CG 6582 C CD1 . TYR B 195 ? 0.1175 0.1206 0.1178 0.0104 -0.0080 0.0024 195 TYR B CD1 6583 C CD2 . TYR B 195 ? 0.1195 0.1194 0.1186 0.0111 -0.0069 0.0023 195 TYR B CD2 6584 C CE1 . TYR B 195 ? 0.1193 0.1216 0.1187 0.0098 -0.0082 0.0020 195 TYR B CE1 6585 C CE2 . TYR B 195 ? 0.1319 0.1311 0.1302 0.0104 -0.0071 0.0019 195 TYR B CE2 6586 C CZ . TYR B 195 ? 0.1219 0.1223 0.1203 0.0098 -0.0078 0.0018 195 TYR B CZ 6587 O OH . TYR B 195 ? 0.1280 0.1276 0.1255 0.0092 -0.0080 0.0013 195 TYR B OH 6597 N N . VAL B 196 ? 0.0984 0.1043 0.1020 0.0101 -0.0075 0.0022 196 VAL B N 6598 C CA . VAL B 196 ? 0.0949 0.1006 0.0989 0.0092 -0.0074 0.0018 196 VAL B CA 6599 C C . VAL B 196 ? 0.1064 0.1131 0.1105 0.0083 -0.0081 0.0016 196 VAL B C 6600 O O . VAL B 196 ? 0.1153 0.1237 0.1200 0.0084 -0.0086 0.0020 196 VAL B O 6601 C CB . VAL B 196 ? 0.1216 0.1285 0.1267 0.0093 -0.0071 0.0019 196 VAL B CB 6602 C CG1 . VAL B 196 ? 0.1226 0.1291 0.1280 0.0084 -0.0069 0.0015 196 VAL B CG1 6603 C CG2 . VAL B 196 ? 0.1182 0.1245 0.1233 0.0104 -0.0064 0.0021 196 VAL B CG2 6613 N N . ILE B 197 ? 0.0999 0.1053 0.1034 0.0075 -0.0082 0.0011 197 ILE B N 6614 C CA . ILE B 197 ? 0.1054 0.1113 0.1089 0.0066 -0.0089 0.0009 197 ILE B CA 6615 C C . ILE B 197 ? 0.1020 0.1079 0.1062 0.0057 -0.0089 0.0005 197 ILE B C 6616 O O . ILE B 197 ? 0.1206 0.1252 0.1246 0.0056 -0.0084 0.0003 197 ILE B O 6617 C CB . ILE B 197 ? 0.1131 0.1175 0.1153 0.0065 -0.0090 0.0005 197 ILE B CB 6618 C CG1 . ILE B 197 ? 0.1091 0.1133 0.1105 0.0074 -0.0089 0.0009 197 ILE B CG1 6619 C CG2 . ILE B 197 ? 0.1450 0.1498 0.1470 0.0056 -0.0097 0.0001 197 ILE B CG2 6620 C CD1 . ILE B 197 ? 0.1369 0.1430 0.1387 0.0077 -0.0095 0.0014 197 ILE B CD1 6632 N N . ILE B 198 ? 0.1135 0.1209 0.1185 0.0050 -0.0095 0.0005 198 ILE B N 6633 C CA . ILE B 198 ? 0.1070 0.1142 0.1126 0.0040 -0.0096 0.0002 198 ILE B CA 6634 C C . ILE B 198 ? 0.1039 0.1099 0.1087 0.0033 -0.0100 -0.0004 198 ILE B C 6635 O O . ILE B 198 ? 0.1286 0.1349 0.1329 0.0031 -0.0106 -0.0005 198 ILE B O 6636 C CB . ILE B 198 ? 0.1090 0.1184 0.1160 0.0035 -0.0101 0.0005 198 ILE B CB 6637 C CG1 . ILE B 198 ? 0.1331 0.1438 0.1409 0.0043 -0.0096 0.0011 198 ILE B CG1 6638 C CG2 . ILE B 198 ? 0.1246 0.1338 0.1322 0.0025 -0.0102 0.0003 198 ILE B CG2 6639 C CD1 . ILE B 198 ? 0.1733 0.1864 0.1825 0.0040 -0.0101 0.0015 198 ILE B CD1 6651 N N . LYS B 199 ? 0.1007 0.1052 0.1053 0.0029 -0.0096 -0.0007 199 LYS B N 6652 C CA . LYS B 199 ? 0.1141 0.1171 0.1179 0.0023 -0.0099 -0.0013 199 LYS B CA 6653 C C . LYS B 199 ? 0.1164 0.1190 0.1209 0.0014 -0.0098 -0.0016 199 LYS B C 6654 O O . LYS B 199 ? 0.1166 0.1196 0.1219 0.0014 -0.0095 -0.0012 199 LYS B O 6655 C CB . LYS B 199 ? 0.1143 0.1155 0.1168 0.0028 -0.0093 -0.0016 199 LYS B CB 6656 C CG . LYS B 199 ? 0.1361 0.1375 0.1378 0.0034 -0.0095 -0.0015 199 LYS B CG 6657 C CD . LYS B 199 ? 0.2230 0.2246 0.2241 0.0029 -0.0102 -0.0018 199 LYS B CD 6658 C CE . LYS B 199 ? 0.2333 0.2350 0.2334 0.0035 -0.0104 -0.0017 199 LYS B CE 6659 N NZ . LYS B 199 ? 0.3336 0.3360 0.3335 0.0029 -0.0112 -0.0021 199 LYS B NZ 6673 N N . PRO B 200 ? 0.1212 0.1230 0.1255 0.0007 -0.0102 -0.0021 200 PRO B N 6674 C CA . PRO B 200 ? 0.1111 0.1121 0.1159 0.0000 -0.0101 -0.0023 200 PRO B CA 6675 C C . PRO B 200 ? 0.1172 0.1169 0.1216 0.0004 -0.0093 -0.0023 200 PRO B C 6676 O O . PRO B 200 ? 0.1363 0.1351 0.1397 0.0010 -0.0090 -0.0024 200 PRO B O 6677 C CB . PRO B 200 ? 0.1461 0.1461 0.1503 -0.0006 -0.0106 -0.0030 200 PRO B CB 6678 C CG . PRO B 200 ? 0.1721 0.1729 0.1758 -0.0005 -0.0111 -0.0030 200 PRO B CG 6679 C CD . PRO B 200 ? 0.1569 0.1582 0.1602 0.0006 -0.0107 -0.0026 200 PRO B CD 6687 N N . LEU B 201 ? 0.1188 0.1185 0.1240 0.0000 -0.0091 -0.0021 201 LEU B N 6688 C CA . LEU B 201 ? 0.1333 0.1318 0.1383 0.0002 -0.0085 -0.0021 201 LEU B CA 6689 C C . LEU B 201 ? 0.1711 0.1679 0.1755 -0.0003 -0.0086 -0.0027 201 LEU B C 6690 O O . LEU B 201 ? 0.2078 0.2046 0.2128 -0.0010 -0.0089 -0.0028 201 LEU B O 6691 C CB . LEU B 201 ? 0.1636 0.1629 0.1697 -0.0002 -0.0083 -0.0017 201 LEU B CB 6692 C CG . LEU B 201 ? 0.1837 0.1819 0.1898 -0.0002 -0.0078 -0.0017 201 LEU B CG 6693 C CD1 . LEU B 201 ? 0.1740 0.1717 0.1793 0.0006 -0.0072 -0.0017 201 LEU B CD1 6694 C CD2 . LEU B 201 ? 0.2523 0.2516 0.2596 -0.0007 -0.0077 -0.0013 201 LEU B CD2 6706 N N . VAL B 202 ? 0.1177 0.1133 0.1210 0.0002 -0.0082 -0.0030 202 VAL B N 6707 C CA . VAL B 202 ? 0.1200 0.1140 0.1227 -0.0001 -0.0083 -0.0035 202 VAL B CA 6708 C C . VAL B 202 ? 0.1511 0.1440 0.1536 0.0000 -0.0077 -0.0036 202 VAL B C 6709 O O . VAL B 202 ? 0.1694 0.1610 0.1715 -0.0002 -0.0077 -0.0040 202 VAL B O 6710 C CB . VAL B 202 ? 0.1243 0.1178 0.1258 0.0003 -0.0084 -0.0039 202 VAL B CB 6711 C CG1 . VAL B 202 ? 0.1791 0.1738 0.1806 0.0002 -0.0090 -0.0039 202 VAL B CG1 6712 C CG2 . VAL B 202 ? 0.1381 0.1311 0.1388 0.0011 -0.0078 -0.0037 202 VAL B CG2 6722 N N . TRP B 203 ? 0.1319 0.1251 0.1347 0.0003 -0.0072 -0.0031 203 TRP B N 6723 C CA . TRP B 203 ? 0.1226 0.1148 0.1251 0.0005 -0.0066 -0.0031 203 TRP B CA 6724 C C . TRP B 203 ? 0.2130 0.2055 0.2165 0.0001 -0.0065 -0.0029 203 TRP B C 6725 O O . TRP B 203 ? 0.3102 0.3020 0.3135 0.0002 -0.0060 -0.0028 203 TRP B O 6726 C CB . TRP B 203 ? 0.1482 0.1404 0.1502 0.0013 -0.0061 -0.0030 203 TRP B CB 6727 C CG . TRP B 203 ? 0.1455 0.1390 0.1478 0.0017 -0.0061 -0.0026 203 TRP B CG 6728 C CD1 . TRP B 203 ? 0.1320 0.1262 0.1341 0.0020 -0.0064 -0.0025 203 TRP B CD1 6729 C CD2 . TRP B 203 ? 0.1229 0.1175 0.1261 0.0018 -0.0059 -0.0022 203 TRP B CD2 6730 N NE1 . TRP B 203 ? 0.1253 0.1207 0.1279 0.0024 -0.0063 -0.0021 203 TRP B NE1 6731 C CE2 . TRP B 203 ? 0.1040 0.0996 0.1072 0.0023 -0.0059 -0.0019 203 TRP B CE2 6732 C CE3 . TRP B 203 ? 0.1554 0.1499 0.1590 0.0016 -0.0055 -0.0020 203 TRP B CE3 6733 C CZ2 . TRP B 203 ? 0.1088 0.1056 0.1127 0.0026 -0.0057 -0.0015 203 TRP B CZ2 6734 C CZ3 . TRP B 203 ? 0.1349 0.1306 0.1391 0.0018 -0.0053 -0.0016 203 TRP B CZ3 6735 C CH2 . TRP B 203 ? 0.1261 0.1230 0.1305 0.0023 -0.0054 -0.0014 203 TRP B CH2 6746 N N . VAL B 204 ? 0.2200 0.2137 0.2245 -0.0004 -0.0069 -0.0026 204 VAL B N 6747 C CA . VAL B 204 ? 0.4859 0.4795 0.4913 -0.0010 -0.0069 -0.0024 204 VAL B CA 6748 C C . VAL B 204 ? 0.7080 0.7008 0.7134 -0.0016 -0.0074 -0.0028 204 VAL B C 6749 O O . VAL B 204 ? 0.6692 0.6609 0.6746 -0.0018 -0.0073 -0.0029 204 VAL B O 6750 C CB . VAL B 204 ? 0.4976 0.4929 0.5040 -0.0012 -0.0069 -0.0018 204 VAL B CB 6751 C CG1 . VAL B 204 ? 0.6535 0.6488 0.6608 -0.0019 -0.0070 -0.0015 204 VAL B CG1 6752 C CG2 . VAL B 204 ? 0.2687 0.2647 0.2750 -0.0005 -0.0064 -0.0015 204 VAL B CG2 6753 O OXT . VAL B 204 ? 0.7716 0.7649 0.7772 -0.0019 -0.0079 -0.0029 204 VAL B OXT 6763 N N . HIS C 1 ? 0.3015 0.2934 0.2712 0.0042 -0.0083 -0.0172 1 HIS C N 6764 C CA . HIS C 1 ? 0.4397 0.4314 0.4081 0.0045 -0.0079 -0.0183 1 HIS C CA 6765 C C . HIS C 1 ? 0.2109 0.2013 0.1800 0.0047 -0.0071 -0.0187 1 HIS C C 6766 O O . HIS C 1 ? 0.2651 0.2552 0.2336 0.0048 -0.0070 -0.0199 1 HIS C O 6767 C CB . HIS C 1 ? 0.2822 0.2753 0.2489 0.0049 -0.0076 -0.0178 1 HIS C CB 6768 C CG . HIS C 1 ? 0.4996 0.4941 0.4658 0.0047 -0.0084 -0.0172 1 HIS C CG 6769 N ND1 . HIS C 1 ? 0.5332 0.5277 0.5006 0.0045 -0.0088 -0.0163 1 HIS C ND1 6770 C CD2 . HIS C 1 ? 0.6855 0.6814 0.6501 0.0048 -0.0088 -0.0174 1 HIS C CD2 6771 C CE1 . HIS C 1 ? 0.5255 0.5214 0.4922 0.0044 -0.0095 -0.0160 1 HIS C CE1 6772 N NE2 . HIS C 1 ? 0.6430 0.6398 0.6079 0.0046 -0.0095 -0.0166 1 HIS C NE2 6782 N N . THR C 2 ? 0.1726 0.1622 0.1430 0.0048 -0.0067 -0.0177 2 THR C N 6783 C CA . THR C 2 ? 0.1613 0.1497 0.1324 0.0050 -0.0060 -0.0181 2 THR C CA 6784 C C . THR C 2 ? 0.1521 0.1393 0.1251 0.0046 -0.0062 -0.0180 2 THR C C 6785 O O . THR C 2 ? 0.1541 0.1414 0.1280 0.0044 -0.0064 -0.0170 2 THR C O 6786 C CB . THR C 2 ? 0.2046 0.1932 0.1755 0.0054 -0.0051 -0.0171 2 THR C CB 6787 O OG1 . THR C 2 ? 0.2712 0.2611 0.2404 0.0057 -0.0048 -0.0171 2 THR C OG1 6788 C CG2 . THR C 2 ? 0.2178 0.2054 0.1895 0.0056 -0.0044 -0.0174 2 THR C CG2 6796 N N . ASP C 3 ? 0.1329 0.1190 0.1064 0.0045 -0.0061 -0.0190 3 ASP C N 6797 C CA . ASP C 3 ? 0.1181 0.1030 0.0934 0.0042 -0.0062 -0.0190 3 ASP C CA 6798 C C . ASP C 3 ? 0.1361 0.1204 0.1122 0.0045 -0.0054 -0.0183 3 ASP C C 6799 O O . ASP C 3 ? 0.1380 0.1218 0.1139 0.0049 -0.0048 -0.0189 3 ASP C O 6800 C CB . ASP C 3 ? 0.1340 0.1179 0.1095 0.0040 -0.0066 -0.0204 3 ASP C CB 6801 C CG . ASP C 3 ? 0.1663 0.1490 0.1436 0.0036 -0.0067 -0.0204 3 ASP C CG 6802 O OD1 . ASP C 3 ? 0.1277 0.1103 0.1060 0.0036 -0.0066 -0.0193 3 ASP C OD1 6803 O OD2 . ASP C 3 ? 0.2130 0.1947 0.1905 0.0034 -0.0070 -0.0215 3 ASP C OD2 6808 N N . LEU C 4 ? 0.1241 0.1085 0.1011 0.0044 -0.0053 -0.0171 4 LEU C N 6809 C CA . LEU C 4 ? 0.1278 0.1117 0.1055 0.0047 -0.0045 -0.0164 4 LEU C CA 6810 C C . LEU C 4 ? 0.1258 0.1086 0.1052 0.0044 -0.0046 -0.0164 4 LEU C C 6811 O O . LEU C 4 ? 0.1222 0.1046 0.1025 0.0045 -0.0042 -0.0157 4 LEU C O 6812 C CB . LEU C 4 ? 0.1185 0.1031 0.0962 0.0048 -0.0043 -0.0150 4 LEU C CB 6813 C CG . LEU C 4 ? 0.1342 0.1200 0.1103 0.0051 -0.0041 -0.0148 4 LEU C CG 6814 C CD1 . LEU C 4 ? 0.1720 0.1583 0.1483 0.0052 -0.0039 -0.0134 4 LEU C CD1 6815 C CD2 . LEU C 4 ? 0.1643 0.1500 0.1398 0.0055 -0.0034 -0.0151 4 LEU C CD2 6827 N N . SER C 5 ? 0.1366 0.1188 0.1165 0.0040 -0.0052 -0.0173 5 SER C N 6828 C CA . SER C 5 ? 0.1429 0.1239 0.1243 0.0038 -0.0053 -0.0174 5 SER C CA 6829 C C . SER C 5 ? 0.1276 0.1080 0.1094 0.0042 -0.0045 -0.0173 5 SER C C 6830 O O . SER C 5 ? 0.1508 0.1313 0.1318 0.0046 -0.0041 -0.0180 5 SER C O 6831 C CB . SER C 5 ? 0.1825 0.1628 0.1640 0.0035 -0.0059 -0.0186 5 SER C CB 6832 O OG . SER C 5 ? 0.2168 0.1976 0.1982 0.0030 -0.0066 -0.0187 5 SER C OG 6838 N N . GLY C 6 ? 0.1388 0.1188 0.1219 0.0041 -0.0043 -0.0166 6 GLY C N 6839 C CA . GLY C 6 ? 0.1285 0.1080 0.1121 0.0044 -0.0036 -0.0165 6 GLY C CA 6840 C C . GLY C 6 ? 0.1275 0.1077 0.1104 0.0048 -0.0029 -0.0158 6 GLY C C 6841 O O . GLY C 6 ? 0.1432 0.1231 0.1265 0.0051 -0.0023 -0.0158 6 GLY C O 6845 N N . LYS C 7 ? 0.1250 0.1061 0.1071 0.0048 -0.0029 -0.0153 7 LYS C N 6846 C CA A LYS C 7 ? 0.1004 0.0822 0.0816 0.0052 -0.0023 -0.0146 7 LYS C CA 6847 C CA B LYS C 7 ? 0.1226 0.1044 0.1039 0.0052 -0.0023 -0.0146 7 LYS C CA 6848 C C . LYS C 7 ? 0.1108 0.0931 0.0923 0.0050 -0.0024 -0.0135 7 LYS C C 6849 O O . LYS C 7 ? 0.1400 0.1223 0.1218 0.0047 -0.0029 -0.0133 7 LYS C O 6850 C CB A LYS C 7 ? 0.1234 0.1060 0.1031 0.0054 -0.0023 -0.0152 7 LYS C CB 6851 C CB B LYS C 7 ? 0.1242 0.1067 0.1039 0.0055 -0.0022 -0.0152 7 LYS C CB 6852 C CG A LYS C 7 ? 0.1331 0.1153 0.1124 0.0056 -0.0023 -0.0165 7 LYS C CG 6853 C CG B LYS C 7 ? 0.1397 0.1218 0.1192 0.0057 -0.0020 -0.0164 7 LYS C CG 6854 C CD A LYS C 7 ? 0.1630 0.1460 0.1406 0.0059 -0.0022 -0.0170 7 LYS C CD 6855 C CD B LYS C 7 ? 0.1719 0.1548 0.1497 0.0060 -0.0019 -0.0169 7 LYS C CD 6856 C CE A LYS C 7 ? 0.2023 0.1847 0.1797 0.0061 -0.0021 -0.0184 7 LYS C CE 6857 C CE B LYS C 7 ? 0.2504 0.2328 0.2279 0.0063 -0.0017 -0.0182 7 LYS C CE 6858 N NZ A LYS C 7 ? 0.2739 0.2572 0.2496 0.0065 -0.0020 -0.0191 7 LYS C NZ 6859 N NZ B LYS C 7 ? 0.2722 0.2537 0.2502 0.0060 -0.0025 -0.0191 7 LYS C NZ 6886 N N . VAL C 8 ? 0.1147 0.0973 0.0960 0.0052 -0.0018 -0.0127 8 VAL C N 6887 C CA . VAL C 8 ? 0.0923 0.0753 0.0736 0.0052 -0.0017 -0.0116 8 VAL C CA 6888 C C . VAL C 8 ? 0.0932 0.0770 0.0733 0.0055 -0.0013 -0.0112 8 VAL C C 6889 O O . VAL C 8 ? 0.1156 0.0997 0.0950 0.0057 -0.0009 -0.0116 8 VAL C O 6890 C CB . VAL C 8 ? 0.1253 0.1078 0.1078 0.0051 -0.0013 -0.0110 8 VAL C CB 6891 C CG1 . VAL C 8 ? 0.1528 0.1346 0.1367 0.0048 -0.0017 -0.0112 8 VAL C CG1 6892 C CG2 . VAL C 8 ? 0.1238 0.1062 0.1064 0.0053 -0.0006 -0.0111 8 VAL C CG2 6902 N N . PHE C 9 ? 0.1027 0.0870 0.0826 0.0054 -0.0014 -0.0103 9 PHE C N 6903 C CA . PHE C 9 ? 0.0954 0.0802 0.0745 0.0056 -0.0009 -0.0096 9 PHE C CA 6904 C C . PHE C 9 ? 0.1060 0.0903 0.0859 0.0056 -0.0004 -0.0089 9 PHE C C 6905 O O . PHE C 9 ? 0.1005 0.0843 0.0814 0.0054 -0.0005 -0.0085 9 PHE C O 6906 C CB . PHE C 9 ? 0.1064 0.0918 0.0849 0.0057 -0.0013 -0.0088 9 PHE C CB 6907 C CG . PHE C 9 ? 0.1184 0.1044 0.0958 0.0057 -0.0018 -0.0094 9 PHE C CG 6908 C CD1 . PHE C 9 ? 0.1492 0.1358 0.1254 0.0059 -0.0016 -0.0099 9 PHE C CD1 6909 C CD2 . PHE C 9 ? 0.1322 0.1184 0.1098 0.0056 -0.0025 -0.0092 9 PHE C CD2 6910 C CE1 . PHE C 9 ? 0.1522 0.1396 0.1274 0.0059 -0.0022 -0.0104 9 PHE C CE1 6911 C CE2 . PHE C 9 ? 0.1353 0.1223 0.1120 0.0056 -0.0030 -0.0097 9 PHE C CE2 6912 C CZ . PHE C 9 ? 0.1353 0.1228 0.1107 0.0057 -0.0029 -0.0103 9 PHE C CZ 6922 N N . VAL C 10 ? 0.1081 0.0926 0.0876 0.0058 0.0003 -0.0087 10 VAL C N 6923 C CA . VAL C 10 ? 0.1032 0.0874 0.0834 0.0057 0.0008 -0.0080 10 VAL C CA 6924 C C . VAL C 10 ? 0.0978 0.0824 0.0773 0.0057 0.0011 -0.0070 10 VAL C C 6925 O O . VAL C 10 ? 0.1189 0.1043 0.0973 0.0059 0.0014 -0.0071 10 VAL C O 6926 C CB . VAL C 10 ? 0.1206 0.1047 0.1011 0.0058 0.0014 -0.0084 10 VAL C CB 6927 C CG1 . VAL C 10 ? 0.1337 0.1176 0.1151 0.0056 0.0018 -0.0077 10 VAL C CG1 6928 C CG2 . VAL C 10 ? 0.1408 0.1245 0.1220 0.0058 0.0011 -0.0094 10 VAL C CG2 6938 N N . PHE C 11 ? 0.1046 0.0889 0.0847 0.0056 0.0011 -0.0062 11 PHE C N 6939 C CA . PHE C 11 ? 0.1161 0.1006 0.0957 0.0056 0.0014 -0.0052 11 PHE C CA 6940 C C . PHE C 11 ? 0.1307 0.1148 0.1110 0.0055 0.0020 -0.0048 11 PHE C C 6941 O O . PHE C 11 ? 0.1160 0.0995 0.0973 0.0052 0.0019 -0.0046 11 PHE C O 6942 C CB . PHE C 11 ? 0.1126 0.0968 0.0924 0.0056 0.0009 -0.0046 11 PHE C CB 6943 C CG . PHE C 11 ? 0.1038 0.0885 0.0831 0.0057 0.0003 -0.0050 11 PHE C CG 6944 C CD1 . PHE C 11 ? 0.1011 0.0855 0.0809 0.0056 -0.0002 -0.0057 11 PHE C CD1 6945 C CD2 . PHE C 11 ? 0.1305 0.1159 0.1086 0.0059 0.0002 -0.0046 11 PHE C CD2 6946 C CE1 . PHE C 11 ? 0.1402 0.1251 0.1196 0.0057 -0.0008 -0.0061 11 PHE C CE1 6947 C CE2 . PHE C 11 ? 0.1312 0.1171 0.1088 0.0060 -0.0005 -0.0049 11 PHE C CE2 6948 C CZ . PHE C 11 ? 0.1262 0.1119 0.1045 0.0059 -0.0010 -0.0057 11 PHE C CZ 6958 N N . PRO C 12 ? 0.1262 0.1108 0.1060 0.0055 0.0025 -0.0049 12 PRO C N 6959 C CA . PRO C 12 ? 0.1056 0.0900 0.0864 0.0053 0.0030 -0.0048 12 PRO C CA 6960 C C . PRO C 12 ? 0.1196 0.1037 0.1006 0.0051 0.0034 -0.0038 12 PRO C C 6961 O O . PRO C 12 ? 0.1402 0.1242 0.1220 0.0049 0.0038 -0.0037 12 PRO C O 6962 C CB . PRO C 12 ? 0.1295 0.1147 0.1097 0.0056 0.0035 -0.0053 12 PRO C CB 6963 C CG . PRO C 12 ? 0.1273 0.1130 0.1063 0.0058 0.0031 -0.0058 12 PRO C CG 6964 C CD . PRO C 12 ? 0.1281 0.1136 0.1068 0.0058 0.0027 -0.0052 12 PRO C CD 6972 N N . ARG C 13 ? 0.1380 0.1221 0.1185 0.0051 0.0033 -0.0031 13 ARG C N 6973 C CA . ARG C 13 ? 0.1437 0.1275 0.1244 0.0049 0.0037 -0.0021 13 ARG C CA 6974 C C . ARG C 13 ? 0.1534 0.1367 0.1339 0.0050 0.0033 -0.0015 13 ARG C C 6975 O O . ARG C 13 ? 0.1627 0.1463 0.1425 0.0052 0.0028 -0.0016 13 ARG C O 6976 C CB . ARG C 13 ? 0.1546 0.1391 0.1345 0.0049 0.0042 -0.0016 13 ARG C CB 6977 C CG . ARG C 13 ? 0.1692 0.1544 0.1479 0.0052 0.0041 -0.0014 13 ARG C CG 6978 C CD . ARG C 13 ? 0.2134 0.1994 0.1911 0.0052 0.0046 -0.0008 13 ARG C CD 6979 N NE . ARG C 13 ? 0.1809 0.1676 0.1574 0.0055 0.0044 -0.0006 13 ARG C NE 6980 C CZ . ARG C 13 ? 0.2016 0.1892 0.1771 0.0056 0.0047 -0.0001 13 ARG C CZ 6981 N NH1 . ARG C 13 ? 0.2720 0.2598 0.2476 0.0054 0.0054 0.0002 13 ARG C NH1 6982 N NH2 . ARG C 13 ? 0.2315 0.2197 0.2058 0.0059 0.0044 0.0000 13 ARG C NH2 6996 N N . GLU C 14 ? 0.1335 0.1161 0.1145 0.0047 0.0035 -0.0007 14 GLU C N 6997 C CA . GLU C 14 ? 0.1434 0.1256 0.1242 0.0048 0.0033 0.0000 14 GLU C CA 6998 C C . GLU C 14 ? 0.1455 0.1282 0.1251 0.0050 0.0035 0.0007 14 GLU C C 6999 O O . GLU C 14 ? 0.1652 0.1484 0.1445 0.0048 0.0040 0.0010 14 GLU C O 7000 C CB . GLU C 14 ? 0.1647 0.1459 0.1463 0.0045 0.0034 0.0005 14 GLU C CB 7001 C CG . GLU C 14 ? 0.1608 0.1413 0.1423 0.0046 0.0032 0.0013 14 GLU C CG 7002 C CD . GLU C 14 ? 0.2195 0.1989 0.2019 0.0044 0.0033 0.0015 14 GLU C CD 7003 O OE1 . GLU C 14 ? 0.2328 0.2118 0.2160 0.0043 0.0031 0.0010 14 GLU C OE1 7004 O OE2 . GLU C 14 ? 0.3320 0.3110 0.3143 0.0042 0.0037 0.0023 14 GLU C OE2 7011 N N . SER C 15 ? 0.1367 0.1195 0.1157 0.0052 0.0030 0.0011 15 SER C N 7012 C CA . SER C 15 ? 0.1446 0.1281 0.1225 0.0054 0.0032 0.0018 15 SER C CA 7013 C C . SER C 15 ? 0.1596 0.1429 0.1372 0.0057 0.0027 0.0023 15 SER C C 7014 O O . SER C 15 ? 0.1406 0.1235 0.1188 0.0058 0.0022 0.0020 15 SER C O 7015 C CB . SER C 15 ? 0.1509 0.1356 0.1278 0.0056 0.0032 0.0012 15 SER C CB 7016 O OG . SER C 15 ? 0.1617 0.1467 0.1383 0.0059 0.0026 0.0006 15 SER C OG 7022 N N . VAL C 16 ? 0.1667 0.1505 0.1433 0.0059 0.0027 0.0032 16 VAL C N 7023 C CA . VAL C 16 ? 0.1676 0.1515 0.1438 0.0063 0.0022 0.0036 16 VAL C CA 7024 C C . VAL C 16 ? 0.1802 0.1654 0.1552 0.0065 0.0019 0.0033 16 VAL C C 7025 O O . VAL C 16 ? 0.2271 0.2128 0.2016 0.0068 0.0015 0.0037 16 VAL C O 7026 C CB . VAL C 16 ? 0.2087 0.1920 0.1847 0.0063 0.0024 0.0050 16 VAL C CB 7027 C CG1 . VAL C 16 ? 0.2164 0.2005 0.1914 0.0063 0.0029 0.0056 16 VAL C CG1 7028 C CG2 . VAL C 16 ? 0.2503 0.2336 0.2263 0.0067 0.0019 0.0055 16 VAL C CG2 7038 N N . THR C 17 ? 0.1702 0.1562 0.1448 0.0064 0.0022 0.0025 17 THR C N 7039 C CA . THR C 17 ? 0.1790 0.1663 0.1524 0.0066 0.0020 0.0022 17 THR C CA 7040 C C . THR C 17 ? 0.1811 0.1687 0.1545 0.0066 0.0016 0.0008 17 THR C C 7041 O O . THR C 17 ? 0.1965 0.1850 0.1690 0.0068 0.0012 0.0004 17 THR C O 7042 C CB . THR C 17 ? 0.2066 0.1945 0.1792 0.0065 0.0027 0.0024 17 THR C CB 7043 O OG1 . THR C 17 ? 0.2764 0.2639 0.2498 0.0062 0.0031 0.0019 17 THR C OG1 7044 C CG2 . THR C 17 ? 0.3630 0.3509 0.3353 0.0065 0.0030 0.0038 17 THR C CG2 7052 N N . ASP C 18 ? 0.1647 0.1517 0.1391 0.0064 0.0018 0.0001 18 ASP C N 7053 C CA . ASP C 18 ? 0.1318 0.1191 0.1062 0.0064 0.0015 -0.0012 18 ASP C CA 7054 C C . ASP C 18 ? 0.1461 0.1332 0.1210 0.0065 0.0008 -0.0016 18 ASP C C 7055 O O . ASP C 18 ? 0.1482 0.1346 0.1241 0.0064 0.0006 -0.0013 18 ASP C O 7056 C CB . ASP C 18 ? 0.1359 0.1226 0.1114 0.0062 0.0019 -0.0018 18 ASP C CB 7057 C CG . ASP C 18 ? 0.1434 0.1303 0.1187 0.0061 0.0027 -0.0013 18 ASP C CG 7058 O OD1 . ASP C 18 ? 0.1676 0.1554 0.1418 0.0062 0.0029 -0.0010 18 ASP C OD1 7059 O OD2 . ASP C 18 ? 0.1603 0.1465 0.1366 0.0058 0.0030 -0.0014 18 ASP C OD2 7064 N N . HIS C 19 ? 0.1341 0.1220 0.1082 0.0066 0.0003 -0.0023 19 HIS C N 7065 C CA . HIS C 19 ? 0.1346 0.1226 0.1091 0.0066 -0.0004 -0.0027 19 HIS C CA 7066 C C . HIS C 19 ? 0.1399 0.1286 0.1136 0.0067 -0.0009 -0.0037 19 HIS C C 7067 O O . HIS C 19 ? 0.1499 0.1392 0.1226 0.0067 -0.0006 -0.0041 19 HIS C O 7068 C CB . HIS C 19 ? 0.1296 0.1177 0.1039 0.0068 -0.0008 -0.0017 19 HIS C CB 7069 C CG . HIS C 19 ? 0.1339 0.1230 0.1068 0.0071 -0.0009 -0.0011 19 HIS C CG 7070 N ND1 . HIS C 19 ? 0.1835 0.1729 0.1557 0.0071 -0.0003 -0.0004 19 HIS C ND1 7071 C CD2 . HIS C 19 ? 0.1679 0.1580 0.1400 0.0072 -0.0015 -0.0012 19 HIS C CD2 7072 C CE1 . HIS C 19 ? 0.1851 0.1755 0.1560 0.0074 -0.0005 0.0000 19 HIS C CE1 7073 N NE2 . HIS C 19 ? 0.1817 0.1727 0.1526 0.0074 -0.0012 -0.0005 19 HIS C NE2 7081 N N . VAL C 20 ? 0.1175 0.1061 0.0918 0.0066 -0.0015 -0.0043 20 VAL C N 7082 C CA . VAL C 20 ? 0.1322 0.1215 0.1059 0.0065 -0.0021 -0.0052 20 VAL C CA 7083 C C . VAL C 20 ? 0.1233 0.1131 0.0968 0.0066 -0.0028 -0.0048 20 VAL C C 7084 O O . VAL C 20 ? 0.1359 0.1252 0.1104 0.0066 -0.0030 -0.0044 20 VAL C O 7085 C CB . VAL C 20 ? 0.1283 0.1170 0.1029 0.0063 -0.0022 -0.0063 20 VAL C CB 7086 C CG1 . VAL C 20 ? 0.1696 0.1588 0.1434 0.0062 -0.0028 -0.0074 20 VAL C CG1 7087 C CG2 . VAL C 20 ? 0.1458 0.1339 0.1206 0.0063 -0.0015 -0.0067 20 VAL C CG2 7097 N N . ASN C 21 ? 0.1370 0.1279 0.1092 0.0067 -0.0031 -0.0049 21 ASN C N 7098 C CA . ASN C 21 ? 0.1165 0.1082 0.0886 0.0068 -0.0039 -0.0047 21 ASN C CA 7099 C C . ASN C 21 ? 0.1240 0.1159 0.0963 0.0065 -0.0045 -0.0060 21 ASN C C 7100 O O . ASN C 21 ? 0.1452 0.1372 0.1169 0.0064 -0.0044 -0.0070 21 ASN C O 7101 C CB . ASN C 21 ? 0.1573 0.1503 0.1278 0.0071 -0.0040 -0.0042 21 ASN C CB 7102 C CG . ASN C 21 ? 0.1705 0.1633 0.1407 0.0073 -0.0034 -0.0029 21 ASN C CG 7103 O OD1 . ASN C 21 ? 0.1878 0.1799 0.1590 0.0074 -0.0032 -0.0021 21 ASN C OD1 7104 N ND2 . ASN C 21 ? 0.1879 0.1815 0.1567 0.0075 -0.0031 -0.0027 21 ASN C ND2 7111 N N . LEU C 22 ? 0.1260 0.1178 0.0993 0.0064 -0.0051 -0.0059 22 LEU C N 7112 C CA . LEU C 22 ? 0.1391 0.1311 0.1127 0.0060 -0.0057 -0.0070 22 LEU C CA 7113 C C . LEU C 22 ? 0.1450 0.1383 0.1178 0.0061 -0.0064 -0.0068 22 LEU C C 7114 O O . LEU C 22 ? 0.1678 0.1615 0.1408 0.0063 -0.0066 -0.0058 22 LEU C O 7115 C CB . LEU C 22 ? 0.1431 0.1342 0.1183 0.0058 -0.0059 -0.0071 22 LEU C CB 7116 C CG . LEU C 22 ? 0.1201 0.1099 0.0961 0.0057 -0.0052 -0.0072 22 LEU C CG 7117 C CD1 . LEU C 22 ? 0.1633 0.1525 0.1409 0.0055 -0.0054 -0.0072 22 LEU C CD1 7118 C CD2 . LEU C 22 ? 0.1427 0.1322 0.1183 0.0056 -0.0049 -0.0082 22 LEU C CD2 7130 N N . ILE C 23 ? 0.1555 0.1494 0.1274 0.0059 -0.0069 -0.0078 23 ILE C N 7131 C CA A ILE C 23 ? 0.1601 0.1554 0.1311 0.0059 -0.0076 -0.0077 23 ILE C CA 7132 C CA B ILE C 23 ? 0.1604 0.1557 0.1314 0.0059 -0.0076 -0.0077 23 ILE C CA 7133 C C . ILE C 23 ? 0.1569 0.1525 0.1287 0.0055 -0.0084 -0.0085 23 ILE C C 7134 O O . ILE C 23 ? 0.2090 0.2039 0.1810 0.0051 -0.0085 -0.0097 23 ILE C O 7135 C CB A ILE C 23 ? 0.1782 0.1742 0.1474 0.0060 -0.0075 -0.0083 23 ILE C CB 7136 C CB B ILE C 23 ? 0.1697 0.1658 0.1390 0.0060 -0.0075 -0.0083 23 ILE C CB 7137 C CG1 A ILE C 23 ? 0.2509 0.2469 0.2194 0.0064 -0.0067 -0.0074 23 ILE C CG1 7138 C CG1 B ILE C 23 ? 0.2504 0.2461 0.2190 0.0064 -0.0066 -0.0077 23 ILE C CG1 7139 C CG2 A ILE C 23 ? 0.2582 0.2559 0.2266 0.0060 -0.0083 -0.0083 23 ILE C CG2 7140 C CG2 B ILE C 23 ? 0.2597 0.2574 0.2279 0.0061 -0.0082 -0.0081 23 ILE C CG2 7141 C CD1 A ILE C 23 ? 0.2695 0.2661 0.2365 0.0065 -0.0064 -0.0081 23 ILE C CD1 7142 C CD1 B ILE C 23 ? 0.2808 0.2768 0.2494 0.0067 -0.0063 -0.0062 23 ILE C CD1 7165 N N . THR C 24 ? 0.2404 0.2369 0.2125 0.0055 -0.0090 -0.0078 24 THR C N 7166 C CA . THR C 24 ? 0.2691 0.2661 0.2419 0.0051 -0.0098 -0.0084 24 THR C CA 7167 C C . THR C 24 ? 0.2894 0.2880 0.2615 0.0053 -0.0105 -0.0078 24 THR C C 7168 O O . THR C 24 ? 0.3591 0.3581 0.3310 0.0057 -0.0103 -0.0066 24 THR C O 7169 C CB . THR C 24 ? 0.3266 0.3228 0.3012 0.0049 -0.0098 -0.0081 24 THR C CB 7170 O OG1 . THR C 24 ? 0.3242 0.3208 0.2994 0.0045 -0.0107 -0.0087 24 THR C OG1 7171 C CG2 . THR C 24 ? 0.3592 0.3556 0.3343 0.0054 -0.0096 -0.0067 24 THR C CG2 7179 N N . PRO C 25 ? 0.3660 0.3655 0.3376 0.0049 -0.0113 -0.0086 25 PRO C N 7180 C CA . PRO C 25 ? 0.4930 0.4943 0.4640 0.0050 -0.0120 -0.0081 25 PRO C CA 7181 C C . PRO C 25 ? 0.5582 0.5599 0.5306 0.0049 -0.0125 -0.0075 25 PRO C C 7182 O O . PRO C 25 ? 0.6515 0.6541 0.6243 0.0045 -0.0133 -0.0080 25 PRO C O 7183 C CB . PRO C 25 ? 0.4436 0.4455 0.4137 0.0045 -0.0126 -0.0095 25 PRO C CB 7184 C CG . PRO C 25 ? 0.5089 0.5094 0.4802 0.0040 -0.0126 -0.0105 25 PRO C CG 7185 C CD . PRO C 25 ? 0.3744 0.3734 0.3463 0.0043 -0.0116 -0.0101 25 PRO C CD 7193 N N . LEU C 26 ? 0.3254 0.3267 0.2988 0.0053 -0.0120 -0.0063 26 LEU C N 7194 C CA . LEU C 26 ? 0.3339 0.3355 0.3087 0.0053 -0.0124 -0.0057 26 LEU C CA 7195 C C . LEU C 26 ? 0.4004 0.4035 0.3749 0.0059 -0.0127 -0.0045 26 LEU C C 7196 O O . LEU C 26 ? 0.3863 0.3891 0.3606 0.0064 -0.0122 -0.0034 26 LEU C O 7197 C CB . LEU C 26 ? 0.3835 0.3836 0.3596 0.0055 -0.0117 -0.0053 26 LEU C CB 7198 C CG . LEU C 26 ? 0.5173 0.5176 0.4951 0.0054 -0.0120 -0.0050 26 LEU C CG 7199 C CD1 . LEU C 26 ? 0.4993 0.5000 0.4777 0.0046 -0.0127 -0.0060 26 LEU C CD1 7200 C CD2 . LEU C 26 ? 0.5946 0.5935 0.5736 0.0055 -0.0113 -0.0047 26 LEU C CD2 7212 N N . GLU C 27 ? 0.3089 0.3136 0.2834 0.0056 -0.0136 -0.0047 27 GLU C N 7213 C CA . GLU C 27 ? 0.3810 0.3872 0.3550 0.0061 -0.0140 -0.0036 27 GLU C CA 7214 C C . GLU C 27 ? 0.3094 0.3163 0.2849 0.0062 -0.0144 -0.0029 27 GLU C C 7215 O O . GLU C 27 ? 0.4314 0.4394 0.4068 0.0068 -0.0146 -0.0017 27 GLU C O 7216 C CB . GLU C 27 ? 0.5385 0.5462 0.5111 0.0058 -0.0148 -0.0043 27 GLU C CB 7217 C CG . GLU C 27 ? 0.6351 0.6421 0.6064 0.0054 -0.0146 -0.0055 27 GLU C CG 7218 C CD . GLU C 27 ? 0.7478 0.7541 0.7179 0.0059 -0.0137 -0.0050 27 GLU C CD 7219 O OE1 . GLU C 27 ? 0.7239 0.7309 0.6937 0.0065 -0.0136 -0.0037 27 GLU C OE1 7220 O OE2 . GLU C 27 ? 0.7251 0.7304 0.6947 0.0058 -0.0132 -0.0059 27 GLU C OE2 7227 N N . LYS C 28 ? 0.2824 0.2887 0.2593 0.0058 -0.0145 -0.0034 28 LYS C N 7228 C CA . LYS C 28 ? 0.2953 0.3024 0.2737 0.0058 -0.0149 -0.0028 28 LYS C CA 7229 C C . LYS C 28 ? 0.2494 0.2551 0.2290 0.0062 -0.0141 -0.0023 28 LYS C C 7230 O O . LYS C 28 ? 0.2721 0.2763 0.2520 0.0059 -0.0136 -0.0030 28 LYS C O 7231 C CB . LYS C 28 ? 0.3529 0.3605 0.3321 0.0050 -0.0156 -0.0039 28 LYS C CB 7232 C CG . LYS C 28 ? 0.4968 0.5062 0.4751 0.0046 -0.0165 -0.0044 28 LYS C CG 7233 C CD . LYS C 28 ? 0.6865 0.6957 0.6652 0.0037 -0.0171 -0.0057 28 LYS C CD 7234 C CE . LYS C 28 ? 0.7169 0.7256 0.6975 0.0033 -0.0170 -0.0058 28 LYS C CE 7235 N NZ . LYS C 28 ? 0.8758 0.8858 0.8577 0.0037 -0.0173 -0.0047 28 LYS C NZ 7249 N N . PRO C 29 ? 0.2489 0.2551 0.2293 0.0068 -0.0141 -0.0012 29 PRO C N 7250 C CA . PRO C 29 ? 0.2049 0.2097 0.1864 0.0071 -0.0133 -0.0007 29 PRO C CA 7251 C C . PRO C 29 ? 0.2279 0.2321 0.2107 0.0065 -0.0133 -0.0015 29 PRO C C 7252 O O . PRO C 29 ? 0.2492 0.2545 0.2325 0.0059 -0.0141 -0.0021 29 PRO C O 7253 C CB . PRO C 29 ? 0.2303 0.2362 0.2126 0.0078 -0.0135 0.0005 29 PRO C CB 7254 C CG . PRO C 29 ? 0.3288 0.3362 0.3099 0.0081 -0.0140 0.0010 29 PRO C CG 7255 C CD . PRO C 29 ? 0.2905 0.2985 0.2709 0.0073 -0.0146 -0.0002 29 PRO C CD 7263 N N . LEU C 30 ? 0.1729 0.1755 0.1562 0.0065 -0.0126 -0.0016 30 LEU C N 7264 C CA . LEU C 30 ? 0.1819 0.1837 0.1663 0.0059 -0.0125 -0.0023 30 LEU C CA 7265 C C . LEU C 30 ? 0.1513 0.1535 0.1373 0.0061 -0.0125 -0.0017 30 LEU C C 7266 O O . LEU C 30 ? 0.1856 0.1873 0.1719 0.0068 -0.0119 -0.0009 30 LEU C O 7267 C CB . LEU C 30 ? 0.2894 0.2893 0.2737 0.0059 -0.0117 -0.0027 30 LEU C CB 7268 C CG . LEU C 30 ? 0.4021 0.4012 0.3852 0.0055 -0.0115 -0.0036 30 LEU C CG 7269 C CD1 . LEU C 30 ? 0.2644 0.2617 0.2474 0.0056 -0.0106 -0.0036 30 LEU C CD1 7270 C CD2 . LEU C 30 ? 0.3250 0.3244 0.3087 0.0047 -0.0121 -0.0046 30 LEU C CD2 7282 N N . GLN C 31 ? 0.1618 0.1647 0.1488 0.0056 -0.0130 -0.0022 31 GLN C N 7283 C CA . GLN C 31 ? 0.1622 0.1656 0.1508 0.0057 -0.0130 -0.0017 31 GLN C CA 7284 C C . GLN C 31 ? 0.1624 0.1644 0.1518 0.0053 -0.0125 -0.0022 31 GLN C C 7285 O O . GLN C 31 ? 0.1762 0.1779 0.1666 0.0056 -0.0120 -0.0018 31 GLN C O 7286 C CB . GLN C 31 ? 0.2300 0.2353 0.2194 0.0053 -0.0138 -0.0019 31 GLN C CB 7287 C CG . GLN C 31 ? 0.4086 0.4155 0.3973 0.0057 -0.0144 -0.0013 31 GLN C CG 7288 C CD . GLN C 31 ? 0.5382 0.5469 0.5276 0.0051 -0.0153 -0.0015 31 GLN C CD 7289 O OE1 . GLN C 31 ? 0.4254 0.4345 0.4161 0.0047 -0.0155 -0.0017 31 GLN C OE1 7290 N NE2 . GLN C 31 ? 0.5742 0.5842 0.5626 0.0051 -0.0160 -0.0015 31 GLN C NE2 7299 N N . ASN C 32 ? 0.1355 0.1367 0.1245 0.0046 -0.0125 -0.0032 32 ASN C N 7300 C CA . ASN C 32 ? 0.1250 0.1249 0.1147 0.0041 -0.0121 -0.0037 32 ASN C CA 7301 C C . ASN C 32 ? 0.1295 0.1280 0.1181 0.0040 -0.0117 -0.0044 32 ASN C C 7302 O O . ASN C 32 ? 0.1476 0.1463 0.1351 0.0038 -0.0121 -0.0048 32 ASN C O 7303 C CB . ASN C 32 ? 0.1452 0.1457 0.1358 0.0033 -0.0127 -0.0043 32 ASN C CB 7304 C CG . ASN C 32 ? 0.1620 0.1643 0.1537 0.0034 -0.0133 -0.0037 32 ASN C CG 7305 O OD1 . ASN C 32 ? 0.1773 0.1800 0.1698 0.0039 -0.0129 -0.0030 32 ASN C OD1 7306 N ND2 . ASN C 32 ? 0.2090 0.2125 0.2009 0.0027 -0.0141 -0.0042 32 ASN C ND2 7311 N N . PHE C 33 ? 0.1116 0.1086 0.1005 0.0040 -0.0111 -0.0045 33 PHE C N 7312 C CA . PHE C 33 ? 0.1079 0.1036 0.0959 0.0038 -0.0107 -0.0052 33 PHE C CA 7313 C C . PHE C 33 ? 0.0985 0.0929 0.0873 0.0036 -0.0102 -0.0054 33 PHE C C 7314 O O . PHE C 33 ? 0.1081 0.1024 0.0979 0.0037 -0.0099 -0.0049 33 PHE C O 7315 C CB . PHE C 33 ? 0.1094 0.1047 0.0960 0.0044 -0.0103 -0.0049 33 PHE C CB 7316 C CG . PHE C 33 ? 0.1069 0.1013 0.0937 0.0049 -0.0096 -0.0041 33 PHE C CG 7317 C CD1 . PHE C 33 ? 0.1089 0.1020 0.0959 0.0048 -0.0089 -0.0044 33 PHE C CD1 7318 C CD2 . PHE C 33 ? 0.1264 0.1216 0.1134 0.0055 -0.0095 -0.0032 33 PHE C CD2 7319 C CE1 . PHE C 33 ? 0.1264 0.1188 0.1137 0.0053 -0.0083 -0.0037 33 PHE C CE1 7320 C CE2 . PHE C 33 ? 0.1253 0.1196 0.1126 0.0060 -0.0089 -0.0026 33 PHE C CE2 7321 C CZ . PHE C 33 ? 0.1080 0.1009 0.0954 0.0058 -0.0083 -0.0029 33 PHE C CZ 7331 N N . THR C 34 ? 0.1008 0.0942 0.0892 0.0032 -0.0100 -0.0062 34 THR C N 7332 C CA . THR C 34 ? 0.0869 0.0789 0.0757 0.0031 -0.0094 -0.0064 34 THR C CA 7333 C C . THR C 34 ? 0.1033 0.0944 0.0909 0.0033 -0.0090 -0.0068 34 THR C C 7334 O O . THR C 34 ? 0.1126 0.1039 0.0993 0.0031 -0.0093 -0.0074 34 THR C O 7335 C CB . THR C 34 ? 0.1028 0.0945 0.0926 0.0024 -0.0097 -0.0070 34 THR C CB 7336 O OG1 . THR C 34 ? 0.1086 0.1013 0.0994 0.0022 -0.0102 -0.0067 34 THR C OG1 7337 C CG2 . THR C 34 ? 0.1123 0.1027 0.1026 0.0024 -0.0091 -0.0071 34 THR C CG2 7345 N N . LEU C 35 ? 0.0954 0.0855 0.0830 0.0035 -0.0083 -0.0065 35 LEU C N 7346 C CA . LEU C 35 ? 0.0893 0.0785 0.0759 0.0037 -0.0078 -0.0068 35 LEU C CA 7347 C C . LEU C 35 ? 0.0904 0.0785 0.0778 0.0035 -0.0073 -0.0071 35 LEU C C 7348 O O . LEU C 35 ? 0.1050 0.0928 0.0932 0.0036 -0.0070 -0.0066 35 LEU C O 7349 C CB . LEU C 35 ? 0.1136 0.1028 0.0995 0.0043 -0.0074 -0.0060 35 LEU C CB 7350 C CG . LEU C 35 ? 0.1241 0.1124 0.1093 0.0045 -0.0067 -0.0061 35 LEU C CG 7351 C CD1 . LEU C 35 ? 0.1410 0.1295 0.1250 0.0044 -0.0069 -0.0068 35 LEU C CD1 7352 C CD2 . LEU C 35 ? 0.1444 0.1327 0.1292 0.0050 -0.0063 -0.0052 35 LEU C CD2 7364 N N . CYS C 36 ? 0.0983 0.0857 0.0853 0.0033 -0.0073 -0.0078 36 CYS C N 7365 C CA . CYS C 36 ? 0.1309 0.1172 0.1186 0.0031 -0.0068 -0.0081 36 CYS C CA 7366 C C . CYS C 36 ? 0.1162 0.1019 0.1029 0.0033 -0.0063 -0.0084 36 CYS C C 7367 O O . CYS C 36 ? 0.1112 0.0972 0.0969 0.0034 -0.0065 -0.0088 36 CYS C O 7368 C CB . CYS C 36 ? 0.1963 0.1824 0.1849 0.0025 -0.0072 -0.0088 36 CYS C CB 7369 S SG . CYS C 36 ? 0.1930 0.1798 0.1828 0.0021 -0.0078 -0.0085 36 CYS C SG 7374 N N . PHE C 37 ? 0.0848 0.0697 0.0719 0.0034 -0.0057 -0.0082 37 PHE C N 7375 C CA . PHE C 37 ? 0.0996 0.0840 0.0860 0.0036 -0.0052 -0.0085 37 PHE C CA 7376 C C . PHE C 37 ? 0.0865 0.0700 0.0737 0.0035 -0.0047 -0.0084 37 PHE C C 7377 O O . PHE C 37 ? 0.1052 0.0886 0.0933 0.0034 -0.0047 -0.0080 37 PHE C O 7378 C CB . PHE C 37 ? 0.0912 0.0758 0.0764 0.0040 -0.0049 -0.0081 37 PHE C CB 7379 C CG . PHE C 37 ? 0.0892 0.0740 0.0747 0.0042 -0.0046 -0.0071 37 PHE C CG 7380 C CD1 . PHE C 37 ? 0.1353 0.1209 0.1210 0.0043 -0.0051 -0.0067 37 PHE C CD1 7381 C CD2 . PHE C 37 ? 0.1272 0.1114 0.1129 0.0044 -0.0040 -0.0067 37 PHE C CD2 7382 C CE1 . PHE C 37 ? 0.1526 0.1382 0.1386 0.0046 -0.0048 -0.0058 37 PHE C CE1 7383 C CE2 . PHE C 37 ? 0.1384 0.1226 0.1244 0.0046 -0.0038 -0.0059 37 PHE C CE2 7384 C CZ . PHE C 37 ? 0.1419 0.1267 0.1280 0.0047 -0.0042 -0.0055 37 PHE C CZ 7394 N N . ARG C 38 ? 0.1005 0.0835 0.0874 0.0036 -0.0042 -0.0088 38 ARG C N 7395 C CA . ARG C 38 ? 0.0969 0.0792 0.0844 0.0036 -0.0037 -0.0086 38 ARG C CA 7396 C C . ARG C 38 ? 0.1209 0.1032 0.1078 0.0039 -0.0031 -0.0082 38 ARG C C 7397 O O . ARG C 38 ? 0.1206 0.1032 0.1064 0.0042 -0.0030 -0.0083 38 ARG C O 7398 C CB . ARG C 38 ? 0.1810 0.1627 0.1687 0.0035 -0.0036 -0.0094 38 ARG C CB 7399 C CG . ARG C 38 ? 0.3305 0.3119 0.3193 0.0031 -0.0040 -0.0097 38 ARG C CG 7400 C CD . ARG C 38 ? 0.2157 0.1965 0.2046 0.0031 -0.0040 -0.0104 38 ARG C CD 7401 N NE . ARG C 38 ? 0.1927 0.1734 0.1818 0.0028 -0.0046 -0.0110 38 ARG C NE 7402 C CZ . ARG C 38 ? 0.1861 0.1667 0.1764 0.0024 -0.0049 -0.0109 38 ARG C CZ 7403 N NH1 . ARG C 38 ? 0.1967 0.1772 0.1879 0.0024 -0.0047 -0.0102 38 ARG C NH1 7404 N NH2 . ARG C 38 ? 0.2383 0.2189 0.2288 0.0021 -0.0055 -0.0113 38 ARG C NH2 7418 N N . ALA C 39 ? 0.0885 0.0705 0.0759 0.0040 -0.0027 -0.0076 39 ALA C N 7419 C CA . ALA C 39 ? 0.0796 0.0615 0.0665 0.0042 -0.0021 -0.0072 39 ALA C CA 7420 C C . ALA C 39 ? 0.0997 0.0810 0.0873 0.0041 -0.0017 -0.0071 39 ALA C C 7421 O O . ALA C 39 ? 0.1101 0.0912 0.0986 0.0039 -0.0018 -0.0071 39 ALA C O 7422 C CB . ALA C 39 ? 0.1180 0.1002 0.1046 0.0044 -0.0021 -0.0064 39 ALA C CB 7428 N N . TYR C 40 ? 0.0934 0.0746 0.0805 0.0042 -0.0011 -0.0069 40 TYR C N 7429 C CA . TYR C 40 ? 0.0930 0.0739 0.0808 0.0041 -0.0007 -0.0068 40 TYR C CA 7430 C C . TYR C 40 ? 0.0827 0.0636 0.0699 0.0043 -0.0002 -0.0062 40 TYR C C 7431 O O . TYR C 40 ? 0.1071 0.0883 0.0934 0.0044 0.0001 -0.0063 40 TYR C O 7432 C CB . TYR C 40 ? 0.0979 0.0786 0.0858 0.0041 -0.0006 -0.0075 40 TYR C CB 7433 C CG . TYR C 40 ? 0.0986 0.0790 0.0874 0.0040 -0.0002 -0.0074 40 TYR C CG 7434 C CD1 . TYR C 40 ? 0.1090 0.0892 0.0985 0.0038 -0.0001 -0.0069 40 TYR C CD1 7435 C CD2 . TYR C 40 ? 0.0892 0.0696 0.0781 0.0041 0.0001 -0.0079 40 TYR C CD2 7436 C CE1 . TYR C 40 ? 0.0890 0.0691 0.0793 0.0037 0.0002 -0.0069 40 TYR C CE1 7437 C CE2 . TYR C 40 ? 0.1084 0.0886 0.0980 0.0041 0.0004 -0.0078 40 TYR C CE2 7438 C CZ . TYR C 40 ? 0.0849 0.0650 0.0753 0.0038 0.0005 -0.0073 40 TYR C CZ 7439 O OH . TYR C 40 ? 0.1217 0.1017 0.1128 0.0037 0.0007 -0.0072 40 TYR C OH 7449 N N . SER C 41 ? 0.0984 0.0790 0.0860 0.0042 0.0000 -0.0057 41 SER C N 7450 C CA . SER C 41 ? 0.1046 0.0852 0.0918 0.0042 0.0004 -0.0051 41 SER C CA 7451 C C . SER C 41 ? 0.1115 0.0917 0.0995 0.0040 0.0007 -0.0048 41 SER C C 7452 O O . SER C 41 ? 0.1511 0.1312 0.1399 0.0039 0.0005 -0.0048 41 SER C O 7453 C CB . SER C 41 ? 0.1111 0.0918 0.0978 0.0044 0.0002 -0.0046 41 SER C CB 7454 O OG . SER C 41 ? 0.1169 0.0973 0.1032 0.0044 0.0006 -0.0039 41 SER C OG 7460 N N . ASP C 42 ? 0.1032 0.0833 0.0911 0.0039 0.0012 -0.0045 42 ASP C N 7461 C CA . ASP C 42 ? 0.1115 0.0912 0.1001 0.0037 0.0015 -0.0042 42 ASP C CA 7462 C C . ASP C 42 ? 0.1207 0.1001 0.1090 0.0037 0.0017 -0.0035 42 ASP C C 7463 O O . ASP C 42 ? 0.1453 0.1243 0.1339 0.0035 0.0020 -0.0032 42 ASP C O 7464 C CB . ASP C 42 ? 0.1139 0.0938 0.1030 0.0035 0.0018 -0.0044 42 ASP C CB 7465 C CG . ASP C 42 ? 0.1335 0.1137 0.1220 0.0036 0.0022 -0.0043 42 ASP C CG 7466 O OD1 . ASP C 42 ? 0.1400 0.1202 0.1277 0.0037 0.0024 -0.0039 42 ASP C OD1 7467 O OD2 . ASP C 42 ? 0.1346 0.1150 0.1234 0.0036 0.0025 -0.0046 42 ASP C OD2 7472 N N . LEU C 43 ? 0.1067 0.0861 0.0943 0.0039 0.0015 -0.0032 43 LEU C N 7473 C CA . LEU C 43 ? 0.1127 0.0917 0.1001 0.0040 0.0016 -0.0026 43 LEU C CA 7474 C C . LEU C 43 ? 0.1068 0.0854 0.0949 0.0040 0.0014 -0.0026 43 LEU C C 7475 O O . LEU C 43 ? 0.1391 0.1179 0.1275 0.0040 0.0010 -0.0029 43 LEU C O 7476 C CB . LEU C 43 ? 0.1275 0.1067 0.1140 0.0043 0.0013 -0.0023 43 LEU C CB 7477 C CG . LEU C 43 ? 0.1201 0.0999 0.1058 0.0044 0.0016 -0.0022 43 LEU C CG 7478 C CD1 . LEU C 43 ? 0.1416 0.1217 0.1265 0.0048 0.0012 -0.0020 43 LEU C CD1 7479 C CD2 . LEU C 43 ? 0.1231 0.1025 0.1085 0.0043 0.0021 -0.0016 43 LEU C CD2 7491 N N . SER C 44 ? 0.1490 0.1270 0.1373 0.0039 0.0016 -0.0021 44 SER C N 7492 C CA . SER C 44 ? 0.1634 0.1409 0.1521 0.0039 0.0015 -0.0020 44 SER C CA 7493 C C . SER C 44 ? 0.1351 0.1123 0.1234 0.0042 0.0014 -0.0015 44 SER C C 7494 O O . SER C 44 ? 0.1657 0.1428 0.1544 0.0044 0.0011 -0.0015 44 SER C O 7495 C CB . SER C 44 ? 0.1936 0.1707 0.1829 0.0035 0.0018 -0.0020 44 SER C CB 7496 O OG . SER C 44 ? 0.2558 0.2332 0.2456 0.0033 0.0018 -0.0024 44 SER C OG 7502 N N . ARG C 45 ? 0.1538 0.1309 0.1414 0.0043 0.0016 -0.0011 45 ARG C N 7503 C CA . ARG C 45 ? 0.1388 0.1157 0.1260 0.0047 0.0014 -0.0005 45 ARG C CA 7504 C C . ARG C 45 ? 0.1435 0.1211 0.1305 0.0050 0.0010 -0.0007 45 ARG C C 7505 O O . ARG C 45 ? 0.1599 0.1381 0.1469 0.0050 0.0007 -0.0012 45 ARG C O 7506 C CB . ARG C 45 ? 0.1473 0.1240 0.1338 0.0047 0.0018 0.0001 45 ARG C CB 7507 C CG . ARG C 45 ? 0.1498 0.1273 0.1356 0.0047 0.0018 0.0000 45 ARG C CG 7508 C CD . ARG C 45 ? 0.1756 0.1530 0.1605 0.0048 0.0020 0.0007 45 ARG C CD 7509 N NE . ARG C 45 ? 0.1725 0.1507 0.1568 0.0048 0.0021 0.0006 45 ARG C NE 7510 C CZ . ARG C 45 ? 0.1483 0.1274 0.1321 0.0050 0.0018 0.0003 45 ARG C CZ 7511 N NH1 . ARG C 45 ? 0.1376 0.1168 0.1214 0.0053 0.0013 0.0002 45 ARG C NH1 7512 N NH2 . ARG C 45 ? 0.1482 0.1279 0.1313 0.0050 0.0020 0.0002 45 ARG C NH2 7526 N N . ALA C 46 ? 0.1575 0.1349 0.1442 0.0054 0.0008 -0.0002 46 ALA C N 7527 C CA . ALA C 46 ? 0.1563 0.1345 0.1428 0.0058 0.0003 -0.0002 46 ALA C CA 7528 C C . ALA C 46 ? 0.1503 0.1292 0.1360 0.0058 0.0002 -0.0002 46 ALA C C 7529 O O . ALA C 46 ? 0.1640 0.1427 0.1490 0.0057 0.0006 0.0001 46 ALA C O 7530 C CB . ALA C 46 ? 0.2003 0.1782 0.1867 0.0062 0.0002 0.0004 46 ALA C CB 7536 N N . TYR C 47 ? 0.1382 0.1179 0.1238 0.0059 -0.0002 -0.0006 47 TYR C N 7537 C CA . TYR C 47 ? 0.1295 0.1100 0.1142 0.0059 -0.0003 -0.0007 47 TYR C CA 7538 C C . TYR C 47 ? 0.1214 0.1026 0.1059 0.0061 -0.0009 -0.0009 47 TYR C C 7539 O O . TYR C 47 ? 0.1352 0.1166 0.1205 0.0061 -0.0012 -0.0012 47 TYR C O 7540 C CB . TYR C 47 ? 0.1307 0.1113 0.1153 0.0056 -0.0001 -0.0013 47 TYR C CB 7541 C CG . TYR C 47 ? 0.1045 0.0851 0.0899 0.0053 -0.0002 -0.0020 47 TYR C CG 7542 C CD1 . TYR C 47 ? 0.1050 0.0862 0.0904 0.0053 -0.0007 -0.0026 47 TYR C CD1 7543 C CD2 . TYR C 47 ? 0.1232 0.1031 0.1093 0.0051 0.0001 -0.0021 47 TYR C CD2 7544 C CE1 . TYR C 47 ? 0.1192 0.1003 0.1054 0.0051 -0.0008 -0.0032 47 TYR C CE1 7545 C CE2 . TYR C 47 ? 0.1303 0.1103 0.1172 0.0048 0.0000 -0.0027 47 TYR C CE2 7546 C CZ . TYR C 47 ? 0.1151 0.0956 0.1021 0.0048 -0.0005 -0.0032 47 TYR C CZ 7547 O OH . TYR C 47 ? 0.1466 0.1272 0.1344 0.0046 -0.0006 -0.0037 47 TYR C OH 7557 N N . SER C 48 ? 0.1137 0.0956 0.0973 0.0063 -0.0011 -0.0007 48 SER C N 7558 C CA . SER C 48 ? 0.1034 0.0862 0.0868 0.0064 -0.0017 -0.0010 48 SER C CA 7559 C C . SER C 48 ? 0.1061 0.0894 0.0894 0.0061 -0.0019 -0.0019 48 SER C C 7560 O O . SER C 48 ? 0.1283 0.1115 0.1111 0.0060 -0.0015 -0.0022 48 SER C O 7561 C CB . SER C 48 ? 0.1445 0.1279 0.1269 0.0068 -0.0018 -0.0004 48 SER C CB 7562 O OG . SER C 48 ? 0.1427 0.1271 0.1247 0.0068 -0.0024 -0.0007 48 SER C OG 7568 N N . LEU C 49 ? 0.0940 0.0777 0.0779 0.0060 -0.0024 -0.0024 49 LEU C N 7569 C CA . LEU C 49 ? 0.0953 0.0793 0.0791 0.0058 -0.0026 -0.0033 49 LEU C CA 7570 C C . LEU C 49 ? 0.1123 0.0973 0.0953 0.0059 -0.0031 -0.0035 49 LEU C C 7571 O O . LEU C 49 ? 0.1203 0.1054 0.1027 0.0057 -0.0031 -0.0041 49 LEU C O 7572 C CB . LEU C 49 ? 0.1203 0.1042 0.1053 0.0055 -0.0029 -0.0037 49 LEU C CB 7573 C CG . LEU C 49 ? 0.1496 0.1327 0.1354 0.0053 -0.0024 -0.0038 49 LEU C CG 7574 C CD1 . LEU C 49 ? 0.1925 0.1755 0.1793 0.0052 -0.0027 -0.0039 49 LEU C CD1 7575 C CD2 . LEU C 49 ? 0.1638 0.1466 0.1493 0.0051 -0.0022 -0.0044 49 LEU C CD2 7587 N N . PHE C 50 ? 0.1034 0.0889 0.0863 0.0061 -0.0035 -0.0030 50 PHE C N 7588 C CA . PHE C 50 ? 0.1105 0.0971 0.0926 0.0062 -0.0041 -0.0031 50 PHE C CA 7589 C C . PHE C 50 ? 0.0938 0.0808 0.0756 0.0066 -0.0042 -0.0022 50 PHE C C 7590 O O . PHE C 50 ? 0.1006 0.0876 0.0832 0.0068 -0.0044 -0.0018 50 PHE C O 7591 C CB . PHE C 50 ? 0.1010 0.0880 0.0838 0.0059 -0.0047 -0.0038 50 PHE C CB 7592 C CG . PHE C 50 ? 0.1068 0.0949 0.0889 0.0059 -0.0053 -0.0041 50 PHE C CG 7593 C CD1 . PHE C 50 ? 0.1150 0.1040 0.0972 0.0061 -0.0058 -0.0036 50 PHE C CD1 7594 C CD2 . PHE C 50 ? 0.0967 0.0850 0.0782 0.0056 -0.0055 -0.0050 50 PHE C CD2 7595 C CE1 . PHE C 50 ? 0.1123 0.1024 0.0939 0.0060 -0.0064 -0.0039 50 PHE C CE1 7596 C CE2 . PHE C 50 ? 0.0985 0.0877 0.0794 0.0055 -0.0061 -0.0054 50 PHE C CE2 7597 C CZ . PHE C 50 ? 0.1244 0.1146 0.1054 0.0057 -0.0066 -0.0048 50 PHE C CZ 7607 N N . SER C 51 ? 0.1147 0.1023 0.0954 0.0068 -0.0042 -0.0019 51 SER C N 7608 C CA . SER C 51 ? 0.1007 0.0886 0.0809 0.0073 -0.0042 -0.0008 51 SER C CA 7609 C C . SER C 51 ? 0.1061 0.0953 0.0854 0.0074 -0.0049 -0.0009 51 SER C C 7610 O O . SER C 51 ? 0.1167 0.1063 0.0950 0.0073 -0.0049 -0.0012 51 SER C O 7611 C CB . SER C 51 ? 0.1082 0.0954 0.0878 0.0074 -0.0036 -0.0002 51 SER C CB 7612 O OG . SER C 51 ? 0.1246 0.1122 0.1036 0.0078 -0.0036 0.0008 51 SER C OG 7618 N N . TYR C 52 ? 0.1145 0.1044 0.0943 0.0076 -0.0054 -0.0005 52 TYR C N 7619 C CA . TYR C 52 ? 0.1090 0.1002 0.0881 0.0077 -0.0060 -0.0005 52 TYR C CA 7620 C C . TYR C 52 ? 0.1090 0.1007 0.0881 0.0083 -0.0061 0.0007 52 TYR C C 7621 O O . TYR C 52 ? 0.1308 0.1223 0.1109 0.0085 -0.0062 0.0012 52 TYR C O 7622 C CB . TYR C 52 ? 0.1290 0.1208 0.1090 0.0074 -0.0066 -0.0012 52 TYR C CB 7623 C CG . TYR C 52 ? 0.1264 0.1196 0.1062 0.0074 -0.0074 -0.0013 52 TYR C CG 7624 C CD1 . TYR C 52 ? 0.1313 0.1251 0.1110 0.0069 -0.0079 -0.0023 52 TYR C CD1 7625 C CD2 . TYR C 52 ? 0.1243 0.1184 0.1041 0.0078 -0.0078 -0.0004 52 TYR C CD2 7626 C CE1 . TYR C 52 ? 0.1388 0.1339 0.1184 0.0068 -0.0087 -0.0025 52 TYR C CE1 7627 C CE2 . TYR C 52 ? 0.1481 0.1437 0.1279 0.0078 -0.0086 -0.0005 52 TYR C CE2 7628 C CZ . TYR C 52 ? 0.1468 0.1429 0.1265 0.0072 -0.0090 -0.0016 52 TYR C CZ 7629 O OH . TYR C 52 ? 0.1772 0.1748 0.1568 0.0071 -0.0098 -0.0017 52 TYR C OH 7639 N N . ASN C 53 ? 0.1268 0.1190 0.1046 0.0085 -0.0061 0.0013 53 ASN C N 7640 C CA . ASN C 53 ? 0.1448 0.1374 0.1224 0.0091 -0.0062 0.0025 53 ASN C CA 7641 C C . ASN C 53 ? 0.1561 0.1504 0.1328 0.0092 -0.0068 0.0026 53 ASN C C 7642 O O . ASN C 53 ? 0.1611 0.1559 0.1370 0.0088 -0.0071 0.0018 53 ASN C O 7643 C CB . ASN C 53 ? 0.1349 0.1266 0.1119 0.0093 -0.0055 0.0033 53 ASN C CB 7644 C CG . ASN C 53 ? 0.1559 0.1461 0.1340 0.0094 -0.0049 0.0036 53 ASN C CG 7645 O OD1 . ASN C 53 ? 0.1472 0.1369 0.1263 0.0092 -0.0050 0.0031 53 ASN C OD1 7646 N ND2 . ASN C 53 ? 0.1300 0.1195 0.1076 0.0096 -0.0044 0.0045 53 ASN C ND2 7653 N N . THR C 54 ? 0.1281 0.1230 0.1049 0.0097 -0.0072 0.0035 54 THR C N 7654 C CA . THR C 54 ? 0.1497 0.1463 0.1256 0.0098 -0.0079 0.0037 54 THR C CA 7655 C C . THR C 54 ? 0.1644 0.1612 0.1397 0.0104 -0.0077 0.0051 54 THR C C 7656 O O . THR C 54 ? 0.1814 0.1769 0.1570 0.0107 -0.0071 0.0058 54 THR C O 7657 C CB . THR C 54 ? 0.1701 0.1678 0.1468 0.0098 -0.0086 0.0035 54 THR C CB 7658 O OG1 . THR C 54 ? 0.2052 0.2027 0.1830 0.0103 -0.0086 0.0044 54 THR C OG1 7659 C CG2 . THR C 54 ? 0.1638 0.1613 0.1413 0.0092 -0.0088 0.0022 54 THR C CG2 7667 N N . GLN C 55 ? 0.2063 0.2046 0.1806 0.0106 -0.0082 0.0055 55 GLN C N 7668 C CA . GLN C 55 ? 0.2343 0.2327 0.2078 0.0112 -0.0080 0.0069 55 GLN C CA 7669 C C . GLN C 55 ? 0.1840 0.1819 0.1586 0.0118 -0.0080 0.0079 55 GLN C C 7670 O O . GLN C 55 ? 0.2174 0.2161 0.1929 0.0120 -0.0086 0.0080 55 GLN C O 7671 C CB . GLN C 55 ? 0.2322 0.2325 0.2044 0.0112 -0.0087 0.0071 55 GLN C CB 7672 C CG . GLN C 55 ? 0.3132 0.3138 0.2845 0.0118 -0.0085 0.0085 55 GLN C CG 7673 C CD . GLN C 55 ? 0.3617 0.3611 0.3321 0.0116 -0.0077 0.0088 55 GLN C CD 7674 O OE1 . GLN C 55 ? 0.4136 0.4134 0.3830 0.0112 -0.0075 0.0080 55 GLN C OE1 7675 N NE2 . GLN C 55 ? 0.4057 0.4038 0.3766 0.0120 -0.0071 0.0098 55 GLN C NE2 7684 N N . GLY C 56 ? 0.1984 0.1949 0.1732 0.0120 -0.0073 0.0087 56 GLY C N 7685 C CA . GLY C 56 ? 0.2000 0.1956 0.1758 0.0126 -0.0072 0.0097 56 GLY C CA 7686 C C . GLY C 56 ? 0.1958 0.1904 0.1731 0.0125 -0.0070 0.0090 56 GLY C C 7687 O O . GLY C 56 ? 0.2138 0.2078 0.1920 0.0130 -0.0069 0.0097 56 GLY C O 7691 N N . ARG C 57 ? 0.1976 0.1920 0.1751 0.0119 -0.0069 0.0078 57 ARG C N 7692 C CA . ARG C 57 ? 0.1724 0.1660 0.1512 0.0117 -0.0068 0.0071 57 ARG C CA 7693 C C . ARG C 57 ? 0.1660 0.1583 0.1450 0.0112 -0.0062 0.0063 57 ARG C C 7694 O O . ARG C 57 ? 0.1839 0.1766 0.1624 0.0106 -0.0063 0.0054 57 ARG C O 7695 C CB . ARG C 57 ? 0.1450 0.1400 0.1245 0.0116 -0.0075 0.0064 57 ARG C CB 7696 C CG . ARG C 57 ? 0.1630 0.1595 0.1425 0.0121 -0.0082 0.0073 57 ARG C CG 7697 C CD . ARG C 57 ? 0.1677 0.1655 0.1481 0.0119 -0.0088 0.0066 57 ARG C CD 7698 N NE . ARG C 57 ? 0.1715 0.1685 0.1533 0.0120 -0.0086 0.0064 57 ARG C NE 7699 C CZ . ARG C 57 ? 0.1910 0.1880 0.1737 0.0127 -0.0086 0.0072 57 ARG C CZ 7700 N NH1 . ARG C 57 ? 0.1964 0.1927 0.1804 0.0127 -0.0083 0.0068 57 ARG C NH1 7701 N NH2 . ARG C 57 ? 0.2169 0.2145 0.1993 0.0134 -0.0087 0.0083 57 ARG C NH2 7715 N N . ASP C 58 ? 0.1390 0.1298 0.1186 0.0113 -0.0056 0.0067 58 ASP C N 7716 C CA . ASP C 58 ? 0.1396 0.1290 0.1193 0.0108 -0.0050 0.0060 58 ASP C CA 7717 C C . ASP C 58 ? 0.1333 0.1226 0.1144 0.0106 -0.0051 0.0052 58 ASP C C 7718 O O . ASP C 58 ? 0.1483 0.1378 0.1302 0.0110 -0.0054 0.0055 58 ASP C O 7719 C CB . ASP C 58 ? 0.1513 0.1393 0.1311 0.0110 -0.0044 0.0068 58 ASP C CB 7720 C CG . ASP C 58 ? 0.1725 0.1592 0.1526 0.0105 -0.0038 0.0061 58 ASP C CG 7721 O OD1 . ASP C 58 ? 0.1512 0.1381 0.1308 0.0100 -0.0037 0.0054 58 ASP C OD1 7722 O OD2 . ASP C 58 ? 0.1733 0.1587 0.1542 0.0107 -0.0034 0.0064 58 ASP C OD2 7727 N N . ASN C 59 ? 0.1269 0.1157 0.1081 0.0100 -0.0049 0.0043 59 ASN C N 7728 C CA . ASN C 59 ? 0.1517 0.1402 0.1341 0.0098 -0.0049 0.0035 59 ASN C CA 7729 C C . ASN C 59 ? 0.1587 0.1485 0.1415 0.0098 -0.0056 0.0032 59 ASN C C 7730 O O . ASN C 59 ? 0.1377 0.1276 0.1216 0.0099 -0.0058 0.0032 59 ASN C O 7731 C CB . ASN C 59 ? 0.1622 0.1494 0.1455 0.0100 -0.0045 0.0038 59 ASN C CB 7732 C CG . ASN C 59 ? 0.1349 0.1208 0.1178 0.0099 -0.0038 0.0041 59 ASN C CG 7733 O OD1 . ASN C 59 ? 0.1363 0.1222 0.1184 0.0096 -0.0036 0.0038 59 ASN C OD1 7734 N ND2 . ASN C 59 ? 0.1527 0.1375 0.1362 0.0102 -0.0034 0.0045 59 ASN C ND2 7741 N N . GLU C 60 ? 0.1213 0.1123 0.1033 0.0097 -0.0061 0.0030 60 GLU C N 7742 C CA . GLU C 60 ? 0.1197 0.1122 0.1021 0.0096 -0.0069 0.0027 60 GLU C CA 7743 C C . GLU C 60 ? 0.1266 0.1190 0.1098 0.0090 -0.0070 0.0017 60 GLU C C 7744 O O . GLU C 60 ? 0.1188 0.1118 0.1030 0.0090 -0.0073 0.0016 60 GLU C O 7745 C CB . GLU C 60 ? 0.1256 0.1193 0.1068 0.0096 -0.0073 0.0027 60 GLU C CB 7746 C CG . GLU C 60 ? 0.1304 0.1258 0.1120 0.0095 -0.0082 0.0025 60 GLU C CG 7747 C CD . GLU C 60 ? 0.1477 0.1437 0.1300 0.0101 -0.0084 0.0034 60 GLU C CD 7748 O OE1 . GLU C 60 ? 0.1590 0.1543 0.1414 0.0107 -0.0080 0.0043 60 GLU C OE1 7749 O OE2 . GLU C 60 ? 0.1558 0.1532 0.1387 0.0101 -0.0091 0.0032 60 GLU C OE2 7756 N N . LEU C 61 ? 0.1191 0.1107 0.1020 0.0085 -0.0066 0.0010 61 LEU C N 7757 C CA . LEU C 61 ? 0.1003 0.0915 0.0840 0.0080 -0.0066 0.0001 61 LEU C CA 7758 C C . LEU C 61 ? 0.1197 0.1096 0.1032 0.0078 -0.0059 -0.0002 61 LEU C C 7759 O O . LEU C 61 ? 0.1334 0.1231 0.1158 0.0077 -0.0058 -0.0004 61 LEU C O 7760 C CB . LEU C 61 ? 0.1414 0.1337 0.1249 0.0075 -0.0072 -0.0007 61 LEU C CB 7761 C CG . LEU C 61 ? 0.1554 0.1475 0.1397 0.0070 -0.0074 -0.0016 61 LEU C CG 7762 C CD1 . LEU C 61 ? 0.1461 0.1392 0.1301 0.0065 -0.0081 -0.0024 61 LEU C CD1 7763 C CD2 . LEU C 61 ? 0.1811 0.1718 0.1655 0.0067 -0.0068 -0.0021 61 LEU C CD2 7775 N N . LEU C 62 ? 0.0998 0.0887 0.0841 0.0078 -0.0055 -0.0001 62 LEU C N 7776 C CA . LEU C 62 ? 0.0945 0.0821 0.0786 0.0076 -0.0048 -0.0003 62 LEU C CA 7777 C C . LEU C 62 ? 0.0915 0.0785 0.0766 0.0073 -0.0047 -0.0009 62 LEU C C 7778 O O . LEU C 62 ? 0.1061 0.0932 0.0922 0.0074 -0.0047 -0.0007 62 LEU C O 7779 C CB . LEU C 62 ? 0.1195 0.1064 0.1034 0.0080 -0.0043 0.0006 62 LEU C CB 7780 C CG . LEU C 62 ? 0.1029 0.0885 0.0869 0.0079 -0.0037 0.0005 62 LEU C CG 7781 C CD1 . LEU C 62 ? 0.1207 0.1062 0.1037 0.0076 -0.0034 0.0002 62 LEU C CD1 7782 C CD2 . LEU C 62 ? 0.1281 0.1129 0.1120 0.0083 -0.0033 0.0015 62 LEU C CD2 7794 N N . VAL C 63 ? 0.0931 0.0796 0.0781 0.0068 -0.0044 -0.0015 63 VAL C N 7795 C CA . VAL C 63 ? 0.0957 0.0815 0.0816 0.0065 -0.0042 -0.0020 63 VAL C CA 7796 C C . VAL C 63 ? 0.0988 0.0836 0.0846 0.0065 -0.0035 -0.0018 63 VAL C C 7797 O O . VAL C 63 ? 0.1071 0.0916 0.0920 0.0064 -0.0033 -0.0019 63 VAL C O 7798 C CB . VAL C 63 ? 0.1012 0.0873 0.0872 0.0060 -0.0045 -0.0029 63 VAL C CB 7799 C CG1 . VAL C 63 ? 0.1199 0.1054 0.1070 0.0057 -0.0043 -0.0032 63 VAL C CG1 7800 C CG2 . VAL C 63 ? 0.1229 0.1101 0.1090 0.0059 -0.0052 -0.0031 63 VAL C CG2 7810 N N . TYR C 64 ? 0.1054 0.0896 0.0919 0.0066 -0.0032 -0.0015 64 TYR C N 7811 C CA . TYR C 64 ? 0.1119 0.0951 0.0982 0.0067 -0.0026 -0.0011 64 TYR C CA 7812 C C . TYR C 64 ? 0.1064 0.0889 0.0936 0.0064 -0.0023 -0.0015 64 TYR C C 7813 O O . TYR C 64 ? 0.1149 0.0976 0.1030 0.0064 -0.0025 -0.0016 64 TYR C O 7814 C CB . TYR C 64 ? 0.1157 0.0986 0.1019 0.0072 -0.0025 -0.0003 64 TYR C CB 7815 C CG . TYR C 64 ? 0.1125 0.0944 0.0982 0.0072 -0.0020 0.0002 64 TYR C CG 7816 C CD1 . TYR C 64 ? 0.1389 0.1209 0.1237 0.0072 -0.0018 0.0004 64 TYR C CD1 7817 C CD2 . TYR C 64 ? 0.1418 0.1228 0.1282 0.0073 -0.0016 0.0004 64 TYR C CD2 7818 C CE1 . TYR C 64 ? 0.1505 0.1316 0.1349 0.0072 -0.0013 0.0009 64 TYR C CE1 7819 C CE2 . TYR C 64 ? 0.1572 0.1373 0.1433 0.0073 -0.0011 0.0008 64 TYR C CE2 7820 C CZ . TYR C 64 ? 0.1688 0.1490 0.1539 0.0072 -0.0010 0.0011 64 TYR C CZ 7821 O OH . TYR C 64 ? 0.1834 0.1627 0.1682 0.0072 -0.0005 0.0016 64 TYR C OH 7831 N N . LYS C 65 ? 0.1230 0.1048 0.1100 0.0061 -0.0019 -0.0016 65 LYS C N 7832 C CA A LYS C 65 ? 0.1190 0.1002 0.1069 0.0059 -0.0016 -0.0019 65 LYS C CA 7833 C CA B LYS C 65 ? 0.1222 0.1034 0.1100 0.0058 -0.0016 -0.0019 65 LYS C CA 7834 C C . LYS C 65 ? 0.1196 0.1000 0.1075 0.0060 -0.0011 -0.0014 65 LYS C C 7835 O O . LYS C 65 ? 0.1328 0.1127 0.1202 0.0059 -0.0008 -0.0012 65 LYS C O 7836 C CB A LYS C 65 ? 0.1390 0.1201 0.1269 0.0054 -0.0014 -0.0025 65 LYS C CB 7837 C CB B LYS C 65 ? 0.1328 0.1139 0.1205 0.0055 -0.0014 -0.0024 65 LYS C CB 7838 C CG A LYS C 65 ? 0.1221 0.1027 0.1108 0.0052 -0.0012 -0.0027 65 LYS C CG 7839 C CG B LYS C 65 ? 0.1238 0.1045 0.1124 0.0052 -0.0012 -0.0027 65 LYS C CG 7840 C CD A LYS C 65 ? 0.1401 0.1207 0.1289 0.0048 -0.0011 -0.0032 65 LYS C CD 7841 C CD B LYS C 65 ? 0.1320 0.1131 0.1212 0.0050 -0.0016 -0.0031 65 LYS C CD 7842 C CE A LYS C 65 ? 0.1484 0.1287 0.1381 0.0045 -0.0010 -0.0035 65 LYS C CE 7843 C CE B LYS C 65 ? 0.1461 0.1269 0.1362 0.0047 -0.0014 -0.0033 65 LYS C CE 7844 N NZ A LYS C 65 ? 0.1648 0.1457 0.1552 0.0045 -0.0014 -0.0036 65 LYS C NZ 7845 N NZ B LYS C 65 ? 0.1607 0.1412 0.1508 0.0044 -0.0011 -0.0037 65 LYS C NZ 7872 N N . GLU C 66 ? 0.2008 0.1810 0.1893 0.0062 -0.0012 -0.0013 66 GLU C N 7873 C CA A GLU C 66 ? 0.2075 0.1869 0.1962 0.0064 -0.0008 -0.0008 66 GLU C CA 7874 C CA B GLU C 66 ? 0.2022 0.1815 0.1908 0.0064 -0.0008 -0.0008 66 GLU C CA 7875 C C . GLU C 66 ? 0.1599 0.1385 0.1488 0.0060 -0.0003 -0.0010 66 GLU C C 7876 O O . GLU C 66 ? 0.2077 0.1855 0.1962 0.0059 0.0000 -0.0007 66 GLU C O 7877 C CB A GLU C 66 ? 0.1769 0.1565 0.1663 0.0066 -0.0010 -0.0008 66 GLU C CB 7878 C CB B GLU C 66 ? 0.2293 0.2086 0.2184 0.0067 -0.0009 -0.0006 66 GLU C CB 7879 C CG A GLU C 66 ? 0.2143 0.1948 0.2037 0.0070 -0.0015 -0.0006 66 GLU C CG 7880 C CG B GLU C 66 ? 0.2367 0.2169 0.2257 0.0072 -0.0013 -0.0003 66 GLU C CG 7881 C CD A GLU C 66 ? 0.1983 0.1786 0.1871 0.0075 -0.0015 0.0001 66 GLU C CD 7882 C CD B GLU C 66 ? 0.2333 0.2145 0.2223 0.0069 -0.0018 -0.0007 66 GLU C CD 7883 O OE1 A GLU C 66 ? 0.2081 0.1874 0.1964 0.0075 -0.0011 0.0004 66 GLU C OE1 7884 O OE1 B GLU C 66 ? 0.0465 0.0279 0.0361 0.0066 -0.0018 -0.0012 66 GLU C OE1 7885 O OE2 A GLU C 66 ? 0.1721 0.1533 0.1607 0.0079 -0.0019 0.0003 66 GLU C OE2 7886 O OE2 B GLU C 66 ? 0.3267 0.3085 0.3151 0.0071 -0.0021 -0.0005 66 GLU C OE2 7899 N N . ARG C 67 ? 0.1588 0.1377 0.1482 0.0056 -0.0004 -0.0016 67 ARG C N 7900 C CA . ARG C 67 ? 0.1398 0.1181 0.1295 0.0052 -0.0001 -0.0018 67 ARG C CA 7901 C C . ARG C 67 ? 0.1475 0.1264 0.1379 0.0050 -0.0003 -0.0024 67 ARG C C 7902 O O . ARG C 67 ? 0.1335 0.1131 0.1240 0.0051 -0.0007 -0.0025 67 ARG C O 7903 C CB . ARG C 67 ? 0.1671 0.1448 0.1573 0.0053 0.0002 -0.0017 67 ARG C CB 7904 C CG . ARG C 67 ? 0.1616 0.1397 0.1523 0.0056 -0.0001 -0.0017 67 ARG C CG 7905 C CD . ARG C 67 ? 0.2321 0.2095 0.2231 0.0058 0.0001 -0.0016 67 ARG C CD 7906 N NE . ARG C 67 ? 0.2618 0.2383 0.2523 0.0061 0.0004 -0.0011 67 ARG C NE 7907 C CZ . ARG C 67 ? 0.2747 0.2513 0.2651 0.0066 0.0002 -0.0007 67 ARG C CZ 7908 N NH1 . ARG C 67 ? 0.2962 0.2737 0.2868 0.0069 -0.0002 -0.0007 67 ARG C NH1 7909 N NH2 . ARG C 67 ? 0.3924 0.3681 0.3823 0.0068 0.0004 -0.0002 67 ARG C NH2 7923 N N . VAL C 68 ? 0.1457 0.1244 0.1364 0.0046 -0.0001 -0.0026 68 VAL C N 7924 C CA . VAL C 68 ? 0.1378 0.1170 0.1291 0.0043 -0.0003 -0.0031 68 VAL C CA 7925 C C . VAL C 68 ? 0.1346 0.1142 0.1265 0.0044 -0.0006 -0.0031 68 VAL C C 7926 O O . VAL C 68 ? 0.1617 0.1412 0.1538 0.0046 -0.0005 -0.0029 68 VAL C O 7927 C CB A VAL C 68 ? 0.1440 0.1228 0.1356 0.0039 0.0001 -0.0033 68 VAL C CB 7928 C CB B VAL C 68 ? 0.1628 0.1417 0.1545 0.0039 0.0001 -0.0033 68 VAL C CB 7929 C CG1 A VAL C 68 ? 0.1929 0.1713 0.1849 0.0039 0.0003 -0.0031 68 VAL C CG1 7930 C CG1 B VAL C 68 ? 0.1174 0.0962 0.1088 0.0038 0.0003 -0.0034 68 VAL C CG1 7931 C CG2 A VAL C 68 ? 0.1718 0.1511 0.1640 0.0037 -0.0001 -0.0037 68 VAL C CG2 7932 C CG2 B VAL C 68 ? 0.1807 0.1589 0.1724 0.0040 0.0004 -0.0030 68 VAL C CG2 7949 N N . GLY C 69 ? 0.1288 0.1091 0.1209 0.0044 -0.0010 -0.0034 69 GLY C N 7950 C CA . GLY C 69 ? 0.1439 0.1248 0.1367 0.0044 -0.0013 -0.0034 69 GLY C CA 7951 C C . GLY C 69 ? 0.1133 0.0947 0.1060 0.0048 -0.0015 -0.0031 69 GLY C C 7952 O O . GLY C 69 ? 0.1436 0.1254 0.1368 0.0048 -0.0017 -0.0031 69 GLY C O 7956 N N . GLU C 70 ? 0.1192 0.1004 0.1111 0.0051 -0.0015 -0.0029 70 GLU C N 7957 C CA . GLU C 70 ? 0.1107 0.0922 0.1025 0.0055 -0.0017 -0.0025 70 GLU C CA 7958 C C . GLU C 70 ? 0.1033 0.0852 0.0944 0.0056 -0.0020 -0.0024 70 GLU C C 7959 O O . GLU C 70 ? 0.1337 0.1151 0.1240 0.0057 -0.0018 -0.0023 70 GLU C O 7960 C CB . GLU C 70 ? 0.1630 0.1439 0.1546 0.0059 -0.0014 -0.0021 70 GLU C CB 7961 C CG . GLU C 70 ? 0.2358 0.2163 0.2280 0.0058 -0.0011 -0.0022 70 GLU C CG 7962 C CD . GLU C 70 ? 0.2643 0.2441 0.2564 0.0062 -0.0008 -0.0018 70 GLU C CD 7963 O OE1 . GLU C 70 ? 0.3369 0.3164 0.3294 0.0062 -0.0006 -0.0020 70 GLU C OE1 7964 O OE2 . GLU C 70 ? 0.2393 0.2189 0.2309 0.0066 -0.0008 -0.0015 70 GLU C OE2 7971 N N . TYR C 71 ? 0.0879 0.0707 0.0792 0.0057 -0.0025 -0.0025 71 TYR C N 7972 C CA . TYR C 71 ? 0.0901 0.0734 0.0807 0.0058 -0.0028 -0.0025 71 TYR C CA 7973 C C . TYR C 71 ? 0.1062 0.0901 0.0968 0.0062 -0.0031 -0.0020 71 TYR C C 7974 O O . TYR C 71 ? 0.1059 0.0903 0.0972 0.0064 -0.0033 -0.0019 71 TYR C O 7975 C CB . TYR C 71 ? 0.1092 0.0931 0.1002 0.0053 -0.0033 -0.0030 71 TYR C CB 7976 C CG . TYR C 71 ? 0.1131 0.0964 0.1041 0.0049 -0.0030 -0.0035 71 TYR C CG 7977 C CD1 . TYR C 71 ? 0.1118 0.0948 0.1035 0.0047 -0.0028 -0.0036 71 TYR C CD1 7978 C CD2 . TYR C 71 ? 0.1334 0.1165 0.1235 0.0049 -0.0030 -0.0037 71 TYR C CD2 7979 C CE1 . TYR C 71 ? 0.1068 0.0893 0.0985 0.0044 -0.0026 -0.0040 71 TYR C CE1 7980 C CE2 . TYR C 71 ? 0.1436 0.1262 0.1337 0.0046 -0.0028 -0.0041 71 TYR C CE2 7981 C CZ . TYR C 71 ? 0.1229 0.1052 0.1138 0.0043 -0.0026 -0.0042 71 TYR C CZ 7982 O OH . TYR C 71 ? 0.1652 0.1470 0.1562 0.0041 -0.0023 -0.0046 71 TYR C OH 7992 N N . SER C 72 ? 0.0962 0.0801 0.0859 0.0065 -0.0032 -0.0017 72 SER C N 7993 C CA . SER C 72 ? 0.1077 0.0922 0.0973 0.0070 -0.0034 -0.0011 72 SER C CA 7994 C C . SER C 72 ? 0.0962 0.0817 0.0852 0.0070 -0.0039 -0.0012 72 SER C C 7995 O O . SER C 72 ? 0.1014 0.0867 0.0897 0.0068 -0.0039 -0.0015 72 SER C O 7996 C CB . SER C 72 ? 0.1247 0.1085 0.1139 0.0075 -0.0031 -0.0005 72 SER C CB 7997 O OG . SER C 72 ? 0.1489 0.1318 0.1386 0.0075 -0.0026 -0.0005 72 SER C OG 8003 N N . LEU C 73 ? 0.0855 0.0720 0.0749 0.0073 -0.0044 -0.0009 73 LEU C N 8004 C CA . LEU C 73 ? 0.0828 0.0702 0.0716 0.0073 -0.0049 -0.0009 73 LEU C CA 8005 C C . LEU C 73 ? 0.1107 0.0985 0.0993 0.0080 -0.0050 -0.0001 73 LEU C C 8006 O O . LEU C 73 ? 0.1116 0.0995 0.1009 0.0083 -0.0050 0.0002 73 LEU C O 8007 C CB . LEU C 73 ? 0.0832 0.0718 0.0727 0.0070 -0.0055 -0.0013 73 LEU C CB 8008 C CG . LEU C 73 ? 0.0943 0.0840 0.0832 0.0071 -0.0061 -0.0012 73 LEU C CG 8009 C CD1 . LEU C 73 ? 0.1142 0.1038 0.1021 0.0068 -0.0062 -0.0017 73 LEU C CD1 8010 C CD2 . LEU C 73 ? 0.1281 0.1190 0.1179 0.0067 -0.0067 -0.0015 73 LEU C CD2 8022 N N . TYR C 74 ? 0.0925 0.0803 0.0801 0.0082 -0.0050 0.0003 74 TYR C N 8023 C CA . TYR C 74 ? 0.0986 0.0870 0.0859 0.0088 -0.0052 0.0011 74 TYR C CA 8024 C C . TYR C 74 ? 0.0976 0.0875 0.0846 0.0088 -0.0059 0.0010 74 TYR C C 8025 O O . TYR C 74 ? 0.1173 0.1075 0.1036 0.0084 -0.0061 0.0005 74 TYR C O 8026 C CB . TYR C 74 ? 0.1016 0.0892 0.0880 0.0091 -0.0048 0.0016 74 TYR C CB 8027 C CG . TYR C 74 ? 0.1105 0.0966 0.0970 0.0091 -0.0042 0.0018 74 TYR C CG 8028 C CD1 . TYR C 74 ? 0.1264 0.1116 0.1131 0.0086 -0.0038 0.0012 74 TYR C CD1 8029 C CD2 . TYR C 74 ? 0.1559 0.1415 0.1425 0.0097 -0.0039 0.0026 74 TYR C CD2 8030 C CE1 . TYR C 74 ? 0.1506 0.1345 0.1375 0.0087 -0.0032 0.0014 74 TYR C CE1 8031 C CE2 . TYR C 74 ? 0.1474 0.1316 0.1342 0.0098 -0.0033 0.0028 74 TYR C CE2 8032 C CZ . TYR C 74 ? 0.1811 0.1645 0.1680 0.0092 -0.0030 0.0021 74 TYR C CZ 8033 O OH . TYR C 74 ? 0.2324 0.2144 0.2195 0.0092 -0.0024 0.0023 74 TYR C OH 8043 N N . ILE C 75 ? 0.1158 0.1066 0.1033 0.0092 -0.0063 0.0015 75 ILE C N 8044 C CA . ILE C 75 ? 0.1070 0.0994 0.0943 0.0093 -0.0070 0.0017 75 ILE C CA 8045 C C . ILE C 75 ? 0.1300 0.1227 0.1170 0.0101 -0.0070 0.0027 75 ILE C C 8046 O O . ILE C 75 ? 0.1166 0.1091 0.1044 0.0106 -0.0068 0.0031 75 ILE C O 8047 C CB . ILE C 75 ? 0.1053 0.0989 0.0937 0.0091 -0.0074 0.0013 75 ILE C CB 8048 C CG1 . ILE C 75 ? 0.1152 0.1084 0.1039 0.0083 -0.0075 0.0003 75 ILE C CG1 8049 C CG2 . ILE C 75 ? 0.1428 0.1380 0.1309 0.0092 -0.0082 0.0015 75 ILE C CG2 8050 C CD1 . ILE C 75 ? 0.1480 0.1414 0.1357 0.0078 -0.0078 -0.0003 75 ILE C CD1 8062 N N . GLY C 76 ? 0.1324 0.1254 0.1183 0.0102 -0.0071 0.0030 76 GLY C N 8063 C CA . GLY C 76 ? 0.1221 0.1153 0.1077 0.0110 -0.0072 0.0041 76 GLY C CA 8064 C C . GLY C 76 ? 0.1330 0.1248 0.1190 0.0115 -0.0066 0.0047 76 GLY C C 8065 O O . GLY C 76 ? 0.1503 0.1425 0.1370 0.0121 -0.0066 0.0053 76 GLY C O 8069 N N . ARG C 77 ? 0.1322 0.1226 0.1180 0.0111 -0.0060 0.0043 77 ARG C N 8070 C CA . ARG C 77 ? 0.1429 0.1317 0.1289 0.0114 -0.0053 0.0047 77 ARG C CA 8071 C C . ARG C 77 ? 0.1181 0.1063 0.1053 0.0115 -0.0051 0.0044 77 ARG C C 8072 O O . ARG C 77 ? 0.1519 0.1386 0.1392 0.0115 -0.0045 0.0045 77 ARG C O 8073 C CB . ARG C 77 ? 0.1760 0.1644 0.1616 0.0122 -0.0052 0.0058 77 ARG C CB 8074 C CG . ARG C 77 ? 0.2109 0.1999 0.1953 0.0121 -0.0054 0.0063 77 ARG C CG 8075 C CD . ARG C 77 ? 0.1980 0.1863 0.1820 0.0127 -0.0052 0.0074 77 ARG C CD 8076 N NE . ARG C 77 ? 0.1879 0.1744 0.1721 0.0127 -0.0045 0.0075 77 ARG C NE 8077 C CZ . ARG C 77 ? 0.1803 0.1658 0.1638 0.0122 -0.0040 0.0073 77 ARG C CZ 8078 N NH1 . ARG C 77 ? 0.2211 0.2049 0.2049 0.0122 -0.0035 0.0074 77 ARG C NH1 8079 N NH2 . ARG C 77 ? 0.2063 0.1925 0.1889 0.0117 -0.0042 0.0069 77 ARG C NH2 8093 N N . HIS C 78 ? 0.1177 0.1070 0.1057 0.0114 -0.0055 0.0041 78 HIS C N 8094 C CA . HIS C 78 ? 0.1092 0.0982 0.0983 0.0115 -0.0052 0.0037 78 HIS C CA 8095 C C . HIS C 78 ? 0.1215 0.1100 0.1107 0.0107 -0.0051 0.0028 78 HIS C C 8096 O O . HIS C 78 ? 0.1270 0.1160 0.1156 0.0101 -0.0053 0.0024 78 HIS C O 8097 C CB . HIS C 78 ? 0.1048 0.0954 0.0948 0.0118 -0.0057 0.0038 78 HIS C CB 8098 C CG . HIS C 78 ? 0.1352 0.1262 0.1253 0.0127 -0.0058 0.0048 78 HIS C CG 8099 N ND1 . HIS C 78 ? 0.1837 0.1744 0.1747 0.0133 -0.0056 0.0050 78 HIS C ND1 8100 C CD2 . HIS C 78 ? 0.1594 0.1507 0.1488 0.0131 -0.0061 0.0055 78 HIS C CD2 8101 C CE1 . HIS C 78 ? 0.1847 0.1756 0.1755 0.0141 -0.0057 0.0059 78 HIS C CE1 8102 N NE2 . HIS C 78 ? 0.1614 0.1527 0.1512 0.0139 -0.0060 0.0062 78 HIS C NE2 8110 N N . LYS C 79 ? 0.1141 0.1019 0.1040 0.0106 -0.0046 0.0025 79 LYS C N 8111 C CA . LYS C 79 ? 0.1182 0.1055 0.1082 0.0098 -0.0045 0.0017 79 LYS C CA 8112 C C . LYS C 79 ? 0.1108 0.0984 0.1019 0.0097 -0.0044 0.0013 79 LYS C C 8113 O O . LYS C 79 ? 0.1232 0.1109 0.1149 0.0102 -0.0043 0.0016 79 LYS C O 8114 C CB . LYS C 79 ? 0.1629 0.1486 0.1523 0.0097 -0.0039 0.0017 79 LYS C CB 8115 C CG . LYS C 79 ? 0.1513 0.1359 0.1412 0.0100 -0.0034 0.0019 79 LYS C CG 8116 C CD . LYS C 79 ? 0.2259 0.2090 0.2153 0.0099 -0.0028 0.0020 79 LYS C CD 8117 C CE . LYS C 79 ? 0.2295 0.2123 0.2188 0.0092 -0.0027 0.0013 79 LYS C CE 8118 N NZ . LYS C 79 ? 0.2981 0.2795 0.2869 0.0090 -0.0021 0.0015 79 LYS C NZ 8132 N N . VAL C 80 ? 0.0999 0.0875 0.0911 0.0090 -0.0045 0.0006 80 VAL C N 8133 C CA . VAL C 80 ? 0.0813 0.0689 0.0734 0.0087 -0.0043 0.0002 80 VAL C CA 8134 C C . VAL C 80 ? 0.0993 0.0858 0.0911 0.0082 -0.0039 -0.0003 80 VAL C C 8135 O O . VAL C 80 ? 0.1198 0.1059 0.1108 0.0079 -0.0040 -0.0004 80 VAL C O 8136 C CB . VAL C 80 ? 0.1034 0.0923 0.0962 0.0084 -0.0048 -0.0001 80 VAL C CB 8137 C CG1 . VAL C 80 ? 0.1296 0.1198 0.1229 0.0090 -0.0052 0.0004 80 VAL C CG1 8138 C CG2 . VAL C 80 ? 0.1133 0.1027 0.1056 0.0078 -0.0052 -0.0005 80 VAL C CG2 8148 N N . THR C 81 ? 0.1029 0.0889 0.0954 0.0080 -0.0036 -0.0005 81 THR C N 8149 C CA . THR C 81 ? 0.0841 0.0691 0.0764 0.0075 -0.0032 -0.0009 81 THR C CA 8150 C C . THR C 81 ? 0.0878 0.0733 0.0810 0.0071 -0.0033 -0.0013 81 THR C C 8151 O O . THR C 81 ? 0.1087 0.0946 0.1025 0.0074 -0.0032 -0.0012 81 THR C O 8152 C CB . THR C 81 ? 0.1085 0.0923 0.1005 0.0078 -0.0027 -0.0007 81 THR C CB 8153 O OG1 . THR C 81 ? 0.1510 0.1344 0.1422 0.0081 -0.0026 -0.0002 81 THR C OG1 8154 C CG2 . THR C 81 ? 0.1073 0.0902 0.0992 0.0072 -0.0023 -0.0011 81 THR C CG2 8162 N N . SER C 82 ? 0.1000 0.0854 0.0932 0.0065 -0.0033 -0.0018 82 SER C N 8163 C CA . SER C 82 ? 0.1018 0.0875 0.0958 0.0061 -0.0033 -0.0021 82 SER C CA 8164 C C . SER C 82 ? 0.1060 0.0907 0.0999 0.0057 -0.0030 -0.0025 82 SER C C 8165 O O . SER C 82 ? 0.1154 0.0994 0.1086 0.0056 -0.0028 -0.0026 82 SER C O 8166 C CB . SER C 82 ? 0.1746 0.1613 0.1691 0.0058 -0.0039 -0.0023 82 SER C CB 8167 O OG . SER C 82 ? 0.1574 0.1452 0.1524 0.0062 -0.0041 -0.0020 82 SER C OG 8173 N N . LYS C 83 ? 0.1086 0.0932 0.1031 0.0055 -0.0028 -0.0026 83 LYS C N 8174 C CA . LYS C 83 ? 0.0911 0.0750 0.0856 0.0052 -0.0024 -0.0028 83 LYS C CA 8175 C C . LYS C 83 ? 0.1019 0.0861 0.0969 0.0046 -0.0026 -0.0032 83 LYS C C 8176 O O . LYS C 83 ? 0.1019 0.0869 0.0975 0.0045 -0.0029 -0.0032 83 LYS C O 8177 C CB . LYS C 83 ? 0.1165 0.1000 0.1113 0.0054 -0.0020 -0.0027 83 LYS C CB 8178 C CG . LYS C 83 ? 0.1556 0.1385 0.1499 0.0059 -0.0018 -0.0024 83 LYS C CG 8179 C CD . LYS C 83 ? 0.1989 0.1814 0.1935 0.0061 -0.0014 -0.0024 83 LYS C CD 8180 C CE . LYS C 83 ? 0.3297 0.3115 0.3238 0.0066 -0.0011 -0.0021 83 LYS C CE 8181 N NZ . LYS C 83 ? 0.3215 0.3024 0.3156 0.0067 -0.0007 -0.0022 83 LYS C NZ 8195 N N . VAL C 84 ? 0.1100 0.0934 0.1047 0.0044 -0.0023 -0.0034 84 VAL C N 8196 C CA . VAL C 84 ? 0.0993 0.0829 0.0945 0.0039 -0.0025 -0.0037 84 VAL C CA 8197 C C . VAL C 84 ? 0.1072 0.0900 0.1024 0.0037 -0.0021 -0.0038 84 VAL C C 8198 O O . VAL C 84 ? 0.1312 0.1134 0.1259 0.0038 -0.0017 -0.0038 84 VAL C O 8199 C CB . VAL C 84 ? 0.1216 0.1052 0.1165 0.0037 -0.0028 -0.0040 84 VAL C CB 8200 C CG1 . VAL C 84 ? 0.1619 0.1448 0.1560 0.0038 -0.0026 -0.0041 84 VAL C CG1 8201 C CG2 . VAL C 84 ? 0.1508 0.1345 0.1463 0.0032 -0.0030 -0.0043 84 VAL C CG2 8211 N N . ILE C 85 ? 0.1325 0.1155 0.1284 0.0033 -0.0021 -0.0040 85 ILE C N 8212 C CA . ILE C 85 ? 0.1304 0.1129 0.1263 0.0031 -0.0018 -0.0041 85 ILE C CA 8213 C C . ILE C 85 ? 0.1130 0.0952 0.1086 0.0029 -0.0019 -0.0043 85 ILE C C 8214 O O . ILE C 85 ? 0.1483 0.1307 0.1442 0.0027 -0.0022 -0.0045 85 ILE C O 8215 C CB . ILE C 85 ? 0.1541 0.1371 0.1509 0.0028 -0.0018 -0.0041 85 ILE C CB 8216 C CG1 . ILE C 85 ? 0.1851 0.1685 0.1821 0.0029 -0.0017 -0.0038 85 ILE C CG1 8217 C CG2 . ILE C 85 ? 0.1801 0.1626 0.1769 0.0025 -0.0016 -0.0042 85 ILE C CG2 8218 C CD1 . ILE C 85 ? 0.1716 0.1558 0.1696 0.0026 -0.0019 -0.0037 85 ILE C CD1 8230 N N . GLU C 86 ? 0.1512 0.1327 0.1462 0.0030 -0.0015 -0.0044 86 GLU C N 8231 C CA A GLU C 86 ? 0.1653 0.1464 0.1600 0.0029 -0.0015 -0.0046 86 GLU C CA 8232 C CA B GLU C 86 ? 0.1598 0.1409 0.1545 0.0029 -0.0015 -0.0047 86 GLU C CA 8233 C C . GLU C 86 ? 0.1411 0.1218 0.1357 0.0028 -0.0011 -0.0046 86 GLU C C 8234 O O . GLU C 86 ? 0.1857 0.1662 0.1803 0.0029 -0.0008 -0.0044 86 GLU C O 8235 C CB A GLU C 86 ? 0.2152 0.1963 0.2091 0.0032 -0.0016 -0.0047 86 GLU C CB 8236 C CB B GLU C 86 ? 0.2179 0.1990 0.2118 0.0031 -0.0016 -0.0047 86 GLU C CB 8237 C CG A GLU C 86 ? 0.1392 0.1207 0.1330 0.0031 -0.0020 -0.0049 86 GLU C CG 8238 C CG B GLU C 86 ? 0.2558 0.2366 0.2491 0.0034 -0.0013 -0.0044 86 GLU C CG 8239 C CD A GLU C 86 ? 0.0943 0.0757 0.0872 0.0034 -0.0021 -0.0049 86 GLU C CD 8240 C CD B GLU C 86 ? 0.2508 0.2317 0.2432 0.0037 -0.0015 -0.0044 86 GLU C CD 8241 O OE1 A GLU C 86 ? 0.1234 0.1049 0.1159 0.0037 -0.0021 -0.0046 86 GLU C OE1 8242 O OE1 B GLU C 86 ? 0.1577 0.1390 0.1501 0.0037 -0.0019 -0.0046 86 GLU C OE1 8243 O OE2 A GLU C 86 ? 0.0951 0.0764 0.0877 0.0033 -0.0020 -0.0053 86 GLU C OE2 8244 O OE2 B GLU C 86 ? 0.1127 0.0933 0.1045 0.0039 -0.0012 -0.0041 86 GLU C OE2 8257 N N . LYS C 87 ? 0.1666 0.1471 0.1613 0.0027 -0.0010 -0.0049 87 LYS C N 8258 C CA A LYS C 87 ? 0.1828 0.1630 0.1775 0.0026 -0.0006 -0.0049 87 LYS C CA 8259 C CA B LYS C 87 ? 0.1781 0.1583 0.1727 0.0026 -0.0006 -0.0049 87 LYS C CA 8260 C CA C LYS C 87 ? 0.1815 0.1617 0.1761 0.0026 -0.0006 -0.0049 87 LYS C CA 8261 C C . LYS C 87 ? 0.1520 0.1319 0.1457 0.0028 -0.0004 -0.0049 87 LYS C C 8262 O O . LYS C 87 ? 0.1895 0.1695 0.1827 0.0030 -0.0006 -0.0049 87 LYS C O 8263 C CB A LYS C 87 ? 0.1873 0.1675 0.1824 0.0024 -0.0007 -0.0052 87 LYS C CB 8264 C CB B LYS C 87 ? 0.1948 0.1750 0.1899 0.0024 -0.0007 -0.0052 87 LYS C CB 8265 C CB C LYS C 87 ? 0.1894 0.1695 0.1844 0.0024 -0.0007 -0.0052 87 LYS C CB 8266 C CG A LYS C 87 ? 0.2282 0.2087 0.2242 0.0022 -0.0009 -0.0052 87 LYS C CG 8267 C CG B LYS C 87 ? 0.2256 0.2060 0.2215 0.0022 -0.0009 -0.0051 87 LYS C CG 8268 C CG C LYS C 87 ? 0.2215 0.2020 0.2174 0.0022 -0.0010 -0.0052 87 LYS C CG 8269 C CD A LYS C 87 ? 0.3042 0.2845 0.3006 0.0021 -0.0009 -0.0054 87 LYS C CD 8270 C CD B LYS C 87 ? 0.3026 0.2830 0.2991 0.0021 -0.0009 -0.0053 87 LYS C CD 8271 C CD C LYS C 87 ? 0.3026 0.2830 0.2990 0.0021 -0.0010 -0.0054 87 LYS C CD 8272 C CE A LYS C 87 ? 0.3604 0.3410 0.3578 0.0018 -0.0011 -0.0052 87 LYS C CE 8273 C CE B LYS C 87 ? 0.3590 0.3397 0.3564 0.0018 -0.0011 -0.0051 87 LYS C CE 8274 C CE C LYS C 87 ? 0.3644 0.3450 0.3617 0.0018 -0.0012 -0.0053 87 LYS C CE 8275 N NZ A LYS C 87 ? 0.4098 0.3902 0.4077 0.0018 -0.0012 -0.0054 87 LYS C NZ 8276 N NZ B LYS C 87 ? 0.3421 0.3230 0.3397 0.0017 -0.0015 -0.0051 87 LYS C NZ 8277 N NZ C LYS C 87 ? 0.3511 0.3321 0.3487 0.0017 -0.0011 -0.0049 87 LYS C NZ 8317 N N . PHE C 88 ? 0.1566 0.1363 0.1502 0.0028 0.0000 -0.0048 88 PHE C N 8318 C CA . PHE C 88 ? 0.1291 0.1085 0.1219 0.0029 0.0003 -0.0046 88 PHE C CA 8319 C C . PHE C 88 ? 0.1250 0.1044 0.1179 0.0028 0.0007 -0.0047 88 PHE C C 8320 O O . PHE C 88 ? 0.1600 0.1394 0.1534 0.0026 0.0008 -0.0046 88 PHE C O 8321 C CB . PHE C 88 ? 0.1594 0.1386 0.1519 0.0030 0.0004 -0.0043 88 PHE C CB 8322 C CG . PHE C 88 ? 0.1420 0.1209 0.1337 0.0031 0.0008 -0.0040 88 PHE C CG 8323 C CD1 . PHE C 88 ? 0.1573 0.1363 0.1483 0.0033 0.0007 -0.0040 88 PHE C CD1 8324 C CD2 . PHE C 88 ? 0.1839 0.1625 0.1757 0.0029 0.0012 -0.0039 88 PHE C CD2 8325 C CE1 . PHE C 88 ? 0.1667 0.1457 0.1571 0.0034 0.0010 -0.0038 88 PHE C CE1 8326 C CE2 . PHE C 88 ? 0.1728 0.1513 0.1640 0.0029 0.0015 -0.0036 88 PHE C CE2 8327 C CZ . PHE C 88 ? 0.1855 0.1641 0.1760 0.0032 0.0014 -0.0036 88 PHE C CZ 8337 N N . PRO C 89 ? 0.1090 0.0885 0.1014 0.0029 0.0008 -0.0049 89 PRO C N 8338 C CA . PRO C 89 ? 0.1070 0.0866 0.0988 0.0031 0.0006 -0.0051 89 PRO C CA 8339 C C . PRO C 89 ? 0.1445 0.1242 0.1368 0.0031 0.0002 -0.0055 89 PRO C C 8340 O O . PRO C 89 ? 0.1563 0.1360 0.1493 0.0030 0.0002 -0.0057 89 PRO C O 8341 C CB . PRO C 89 ? 0.1416 0.1213 0.1329 0.0032 0.0009 -0.0052 89 PRO C CB 8342 C CG . PRO C 89 ? 0.1857 0.1653 0.1773 0.0030 0.0013 -0.0049 89 PRO C CG 8343 C CD . PRO C 89 ? 0.1364 0.1159 0.1288 0.0028 0.0012 -0.0048 89 PRO C CD 8351 N N . ALA C 90 ? 0.1462 0.1261 0.1382 0.0032 -0.0002 -0.0057 90 ALA C N 8352 C CA . ALA C 90 ? 0.1440 0.1238 0.1362 0.0032 -0.0006 -0.0062 90 ALA C CA 8353 C C . ALA C 90 ? 0.1061 0.0861 0.0976 0.0033 -0.0009 -0.0064 90 ALA C C 8354 O O . ALA C 90 ? 0.1308 0.1110 0.1218 0.0035 -0.0010 -0.0061 90 ALA C O 8355 C CB . ALA C 90 ? 0.1853 0.1652 0.1784 0.0030 -0.0009 -0.0060 90 ALA C CB 8361 N N . PRO C 91 ? 0.1055 0.0855 0.0970 0.0033 -0.0011 -0.0070 91 PRO C N 8362 C CA . PRO C 91 ? 0.1173 0.0975 0.1083 0.0034 -0.0015 -0.0073 91 PRO C CA 8363 C C . PRO C 91 ? 0.1100 0.0905 0.1014 0.0033 -0.0020 -0.0071 91 PRO C C 8364 O O . PRO C 91 ? 0.1286 0.1090 0.1209 0.0030 -0.0020 -0.0069 91 PRO C O 8365 C CB . PRO C 91 ? 0.1393 0.1192 0.1305 0.0034 -0.0016 -0.0080 91 PRO C CB 8366 C CG . PRO C 91 ? 0.1329 0.1126 0.1244 0.0034 -0.0012 -0.0080 91 PRO C CG 8367 C CD . PRO C 91 ? 0.1257 0.1054 0.1177 0.0033 -0.0010 -0.0073 91 PRO C CD 8375 N N . VAL C 92 ? 0.1228 0.1036 0.1135 0.0034 -0.0023 -0.0071 92 VAL C N 8376 C CA . VAL C 92 ? 0.1020 0.0832 0.0932 0.0032 -0.0027 -0.0069 92 VAL C CA 8377 C C . VAL C 92 ? 0.1033 0.0849 0.0939 0.0032 -0.0032 -0.0073 92 VAL C C 8378 O O . VAL C 92 ? 0.1190 0.1007 0.1087 0.0034 -0.0032 -0.0076 92 VAL C O 8379 C CB . VAL C 92 ? 0.1310 0.1124 0.1220 0.0034 -0.0026 -0.0063 92 VAL C CB 8380 C CG1 . VAL C 92 ? 0.1426 0.1242 0.1325 0.0037 -0.0025 -0.0061 92 VAL C CG1 8381 C CG2 . VAL C 92 ? 0.1402 0.1221 0.1319 0.0033 -0.0030 -0.0060 92 VAL C CG2 8391 N N . HIS C 93 ? 0.0887 0.0705 0.0800 0.0030 -0.0037 -0.0074 93 HIS C N 8392 C CA . HIS C 93 ? 0.0804 0.0627 0.0713 0.0029 -0.0043 -0.0077 93 HIS C CA 8393 C C . HIS C 93 ? 0.1028 0.0858 0.0938 0.0030 -0.0045 -0.0071 93 HIS C C 8394 O O . HIS C 93 ? 0.1037 0.0868 0.0956 0.0029 -0.0045 -0.0068 93 HIS C O 8395 C CB . HIS C 93 ? 0.0917 0.0738 0.0833 0.0025 -0.0047 -0.0083 93 HIS C CB 8396 C CG . HIS C 93 ? 0.1231 0.1058 0.1143 0.0023 -0.0053 -0.0086 93 HIS C CG 8397 N ND1 . HIS C 93 ? 0.1179 0.1012 0.1097 0.0021 -0.0058 -0.0084 93 HIS C ND1 8398 C CD2 . HIS C 93 ? 0.1048 0.0875 0.0951 0.0024 -0.0055 -0.0092 93 HIS C CD2 8399 C CE1 . HIS C 93 ? 0.1326 0.1163 0.1238 0.0020 -0.0063 -0.0088 93 HIS C CE1 8400 N NE2 . HIS C 93 ? 0.1290 0.1123 0.1193 0.0022 -0.0061 -0.0093 93 HIS C NE2 8408 N N . ILE C 94 ? 0.0983 0.0818 0.0885 0.0032 -0.0047 -0.0070 94 ILE C N 8409 C CA . ILE C 94 ? 0.1072 0.0914 0.0975 0.0034 -0.0048 -0.0064 94 ILE C CA 8410 C C . ILE C 94 ? 0.1474 0.1324 0.1375 0.0033 -0.0055 -0.0067 94 ILE C C 8411 O O . ILE C 94 ? 0.1453 0.1304 0.1345 0.0033 -0.0057 -0.0071 94 ILE C O 8412 C CB . ILE C 94 ? 0.1319 0.1160 0.1214 0.0039 -0.0044 -0.0060 94 ILE C CB 8413 C CG1 . ILE C 94 ? 0.1388 0.1222 0.1285 0.0039 -0.0038 -0.0057 94 ILE C CG1 8414 C CG2 . ILE C 94 ? 0.1640 0.1488 0.1535 0.0041 -0.0046 -0.0053 94 ILE C CG2 8415 C CD1 . ILE C 94 ? 0.1996 0.1827 0.1883 0.0042 -0.0033 -0.0054 94 ILE C CD1 8427 N N . CYS C 95 ? 0.1076 0.0933 0.0985 0.0032 -0.0059 -0.0064 95 CYS C N 8428 C CA . CYS C 95 ? 0.1125 0.0991 0.1032 0.0031 -0.0065 -0.0065 95 CYS C CA 8429 C C . CYS C 95 ? 0.1067 0.0940 0.0976 0.0035 -0.0065 -0.0057 95 CYS C C 8430 O O . CYS C 95 ? 0.1101 0.0973 0.1018 0.0035 -0.0062 -0.0053 95 CYS C O 8431 C CB . CYS C 95 ? 0.1459 0.1328 0.1375 0.0025 -0.0070 -0.0069 95 CYS C CB 8432 S SG . CYS C 95 ? 0.2548 0.2410 0.2461 0.0021 -0.0073 -0.0079 95 CYS C SG 8437 N N . VAL C 96 ? 0.0889 0.0770 0.0792 0.0037 -0.0068 -0.0055 96 VAL C N 8438 C CA . VAL C 96 ? 0.1122 0.1011 0.1028 0.0041 -0.0069 -0.0048 96 VAL C CA 8439 C C . VAL C 96 ? 0.0993 0.0895 0.0898 0.0040 -0.0076 -0.0048 96 VAL C C 8440 O O . VAL C 96 ? 0.1032 0.0935 0.0928 0.0040 -0.0079 -0.0052 96 VAL C O 8441 C CB . VAL C 96 ? 0.1167 0.1052 0.1066 0.0047 -0.0064 -0.0042 96 VAL C CB 8442 C CG1 . VAL C 96 ? 0.1688 0.1573 0.1575 0.0049 -0.0064 -0.0043 96 VAL C CG1 8443 C CG2 . VAL C 96 ? 0.1553 0.1445 0.1457 0.0051 -0.0064 -0.0035 96 VAL C CG2 8453 N N . SER C 97 ? 0.1118 0.1029 0.1032 0.0040 -0.0079 -0.0045 97 SER C N 8454 C CA . SER C 97 ? 0.0959 0.0883 0.0872 0.0039 -0.0086 -0.0044 97 SER C CA 8455 C C . SER C 97 ? 0.1117 0.1049 0.1033 0.0045 -0.0086 -0.0036 97 SER C C 8456 O O . SER C 97 ? 0.1192 0.1120 0.1114 0.0048 -0.0081 -0.0032 97 SER C O 8457 C CB . SER C 97 ? 0.1262 0.1192 0.1186 0.0033 -0.0091 -0.0048 97 SER C CB 8458 O OG . SER C 97 ? 0.1283 0.1216 0.1219 0.0033 -0.0090 -0.0044 97 SER C OG 8464 N N . TRP C 98 ? 0.0948 0.0892 0.0861 0.0047 -0.0091 -0.0034 98 TRP C N 8465 C CA . TRP C 98 ? 0.0984 0.0938 0.0901 0.0053 -0.0092 -0.0026 98 TRP C CA 8466 C C . TRP C 98 ? 0.1041 0.1012 0.0961 0.0051 -0.0100 -0.0026 98 TRP C C 8467 O O . TRP C 98 ? 0.1098 0.1071 0.1010 0.0047 -0.0104 -0.0030 98 TRP C O 8468 C CB . TRP C 98 ? 0.1058 0.1008 0.0966 0.0060 -0.0088 -0.0020 98 TRP C CB 8469 C CG . TRP C 98 ? 0.1121 0.1079 0.1032 0.0067 -0.0089 -0.0012 98 TRP C CG 8470 C CD1 . TRP C 98 ? 0.1058 0.1015 0.0977 0.0071 -0.0085 -0.0007 98 TRP C CD1 8471 C CD2 . TRP C 98 ? 0.1163 0.1133 0.1069 0.0070 -0.0093 -0.0007 98 TRP C CD2 8472 N NE1 . TRP C 98 ? 0.1100 0.1066 0.1019 0.0078 -0.0087 0.0000 98 TRP C NE1 8473 C CE2 . TRP C 98 ? 0.1063 0.1038 0.0975 0.0077 -0.0092 0.0001 98 TRP C CE2 8474 C CE3 . TRP C 98 ? 0.1539 0.1517 0.1436 0.0068 -0.0099 -0.0010 98 TRP C CE3 8475 C CZ2 . TRP C 98 ? 0.1437 0.1424 0.1346 0.0082 -0.0096 0.0007 98 TRP C CZ2 8476 C CZ3 . TRP C 98 ? 0.1710 0.1700 0.1603 0.0073 -0.0103 -0.0003 98 TRP C CZ3 8477 C CH2 . TRP C 98 ? 0.1574 0.1569 0.1474 0.0080 -0.0101 0.0005 98 TRP C CH2 8488 N N . GLU C 99 ? 0.1189 0.1171 0.1119 0.0053 -0.0102 -0.0020 99 GLU C N 8489 C CA . GLU C 99 ? 0.1272 0.1271 0.1207 0.0051 -0.0109 -0.0020 99 GLU C CA 8490 C C . GLU C 99 ? 0.1359 0.1369 0.1295 0.0059 -0.0109 -0.0011 99 GLU C C 8491 O O . GLU C 99 ? 0.1333 0.1342 0.1277 0.0064 -0.0105 -0.0006 99 GLU C O 8492 C CB . GLU C 99 ? 0.1669 0.1673 0.1618 0.0046 -0.0110 -0.0022 99 GLU C CB 8493 C CG . GLU C 99 ? 0.2375 0.2397 0.2331 0.0042 -0.0118 -0.0022 99 GLU C CG 8494 C CD . GLU C 99 ? 0.2258 0.2283 0.2227 0.0036 -0.0119 -0.0023 99 GLU C CD 8495 O OE1 . GLU C 99 ? 0.2879 0.2904 0.2850 0.0028 -0.0123 -0.0029 99 GLU C OE1 8496 O OE2 . GLU C 99 ? 0.1841 0.1868 0.1819 0.0040 -0.0115 -0.0018 99 GLU C OE2 8503 N N . SER C 100 ? 0.1196 0.1214 0.1124 0.0062 -0.0114 -0.0008 100 SER C N 8504 C CA . SER C 100 ? 0.1297 0.1325 0.1227 0.0070 -0.0114 0.0001 100 SER C CA 8505 C C . SER C 100 ? 0.1328 0.1371 0.1273 0.0071 -0.0117 0.0005 100 SER C C 8506 O O . SER C 100 ? 0.1533 0.1578 0.1483 0.0079 -0.0113 0.0012 100 SER C O 8507 C CB . SER C 100 ? 0.1415 0.1454 0.1335 0.0071 -0.0120 0.0003 100 SER C CB 8508 O OG . SER C 100 ? 0.1557 0.1608 0.1480 0.0079 -0.0121 0.0012 100 SER C OG 8514 N N . SER C 101 ? 0.1236 0.1290 0.1188 0.0064 -0.0122 0.0000 101 SER C N 8515 C CA . SER C 101 ? 0.1449 0.1520 0.1415 0.0065 -0.0125 0.0005 101 SER C CA 8516 C C . SER C 101 ? 0.1354 0.1421 0.1330 0.0069 -0.0119 0.0008 101 SER C C 8517 O O . SER C 101 ? 0.1755 0.1832 0.1739 0.0075 -0.0118 0.0014 101 SER C O 8518 C CB . SER C 101 ? 0.1887 0.1970 0.1860 0.0055 -0.0133 0.0000 101 SER C CB 8519 O OG . SER C 101 ? 0.2194 0.2264 0.2167 0.0048 -0.0131 -0.0008 101 SER C OG 8525 N N . SER C 102 ? 0.1180 0.1229 0.1154 0.0066 -0.0113 0.0003 102 SER C N 8526 C CA . SER C 102 ? 0.1149 0.1192 0.1131 0.0069 -0.0106 0.0005 102 SER C CA 8527 C C . SER C 102 ? 0.1163 0.1189 0.1137 0.0075 -0.0099 0.0007 102 SER C C 8528 O O . SER C 102 ? 0.1329 0.1351 0.1309 0.0080 -0.0094 0.0009 102 SER C O 8529 C CB . SER C 102 ? 0.1441 0.1479 0.1429 0.0060 -0.0105 -0.0001 102 SER C CB 8530 O OG . SER C 102 ? 0.1283 0.1304 0.1260 0.0056 -0.0104 -0.0007 102 SER C OG 8536 N N . GLY C 103 ? 0.1012 0.1028 0.0973 0.0075 -0.0099 0.0005 103 GLY C N 8537 C CA . GLY C 103 ? 0.1040 0.1039 0.0993 0.0080 -0.0092 0.0006 103 GLY C CA 8538 C C . GLY C 103 ? 0.1009 0.0993 0.0963 0.0075 -0.0087 0.0001 103 GLY C C 8539 O O . GLY C 103 ? 0.0953 0.0923 0.0901 0.0078 -0.0081 0.0001 103 GLY C O 8543 N N . ILE C 104 ? 0.0970 0.0957 0.0929 0.0067 -0.0089 -0.0005 104 ILE C N 8544 C CA . ILE C 104 ? 0.1060 0.1034 0.1022 0.0063 -0.0085 -0.0009 104 ILE C CA 8545 C C . ILE C 104 ? 0.1056 0.1017 0.1006 0.0060 -0.0083 -0.0014 104 ILE C C 8546 O O . ILE C 104 ? 0.1009 0.0973 0.0954 0.0056 -0.0088 -0.0018 104 ILE C O 8547 C CB . ILE C 104 ? 0.1068 0.1050 0.1041 0.0056 -0.0087 -0.0012 104 ILE C CB 8548 C CG1 . ILE C 104 ? 0.1345 0.1340 0.1329 0.0060 -0.0087 -0.0007 104 ILE C CG1 8549 C CG2 . ILE C 104 ? 0.1322 0.1291 0.1296 0.0051 -0.0084 -0.0017 104 ILE C CG2 8550 C CD1 . ILE C 104 ? 0.1870 0.1858 0.1857 0.0065 -0.0080 -0.0004 104 ILE C CD1 8562 N N . ALA C 105 ? 0.1120 0.1067 0.1068 0.0061 -0.0077 -0.0014 105 ALA C N 8563 C CA . ALA C 105 ? 0.1026 0.0959 0.0965 0.0059 -0.0074 -0.0019 105 ALA C CA 8564 C C . ALA C 105 ? 0.1191 0.1117 0.1136 0.0053 -0.0072 -0.0023 105 ALA C C 8565 O O . ALA C 105 ? 0.1166 0.1091 0.1118 0.0055 -0.0068 -0.0021 105 ALA C O 8566 C CB . ALA C 105 ? 0.1204 0.1126 0.1135 0.0064 -0.0068 -0.0015 105 ALA C CB 8572 N N . GLU C 106 ? 0.1093 0.1015 0.1035 0.0047 -0.0074 -0.0029 106 GLU C N 8573 C CA . GLU C 106 ? 0.1109 0.1024 0.1057 0.0042 -0.0072 -0.0034 106 GLU C CA 8574 C C . GLU C 106 ? 0.1257 0.1159 0.1197 0.0041 -0.0068 -0.0037 106 GLU C C 8575 O O . GLU C 106 ? 0.1371 0.1272 0.1304 0.0039 -0.0071 -0.0042 106 GLU C O 8576 C CB . GLU C 106 ? 0.1681 0.1602 0.1635 0.0035 -0.0077 -0.0038 106 GLU C CB 8577 C CG . GLU C 106 ? 0.1640 0.1575 0.1603 0.0034 -0.0082 -0.0035 106 GLU C CG 8578 C CD . GLU C 106 ? 0.2171 0.2110 0.2140 0.0026 -0.0087 -0.0039 106 GLU C CD 8579 O OE1 . GLU C 106 ? 0.1750 0.1680 0.1718 0.0021 -0.0087 -0.0045 106 GLU C OE1 8580 O OE2 . GLU C 106 ? 0.2111 0.2064 0.2089 0.0024 -0.0091 -0.0037 106 GLU C OE2 8587 N N . PHE C 107 ? 0.0908 0.0800 0.0848 0.0042 -0.0062 -0.0036 107 PHE C N 8588 C CA . PHE C 107 ? 0.0896 0.0776 0.0831 0.0041 -0.0058 -0.0040 107 PHE C CA 8589 C C . PHE C 107 ? 0.0927 0.0804 0.0869 0.0035 -0.0059 -0.0044 107 PHE C C 8590 O O . PHE C 107 ? 0.1016 0.0897 0.0968 0.0034 -0.0058 -0.0042 107 PHE C O 8591 C CB . PHE C 107 ? 0.0972 0.0844 0.0904 0.0044 -0.0052 -0.0037 107 PHE C CB 8592 C CG . PHE C 107 ? 0.1149 0.1018 0.1070 0.0049 -0.0050 -0.0034 107 PHE C CG 8593 C CD1 . PHE C 107 ? 0.1112 0.0976 0.1025 0.0048 -0.0049 -0.0037 107 PHE C CD1 8594 C CD2 . PHE C 107 ? 0.1252 0.1124 0.1173 0.0054 -0.0049 -0.0029 107 PHE C CD2 8595 C CE1 . PHE C 107 ? 0.1094 0.0956 0.0997 0.0052 -0.0047 -0.0034 107 PHE C CE1 8596 C CE2 . PHE C 107 ? 0.1223 0.1092 0.1135 0.0058 -0.0048 -0.0025 107 PHE C CE2 8597 C CZ . PHE C 107 ? 0.1257 0.1121 0.1160 0.0057 -0.0047 -0.0028 107 PHE C CZ 8607 N N . TRP C 108 ? 0.0827 0.0698 0.0766 0.0032 -0.0059 -0.0050 108 TRP C N 8608 C CA . TRP C 108 ? 0.1004 0.0870 0.0949 0.0027 -0.0059 -0.0053 108 TRP C CA 8609 C C . TRP C 108 ? 0.1102 0.0957 0.1041 0.0028 -0.0054 -0.0056 108 TRP C C 8610 O O . TRP C 108 ? 0.1099 0.0951 0.1028 0.0029 -0.0054 -0.0059 108 TRP C O 8611 C CB . TRP C 108 ? 0.1075 0.0944 0.1021 0.0022 -0.0065 -0.0058 108 TRP C CB 8612 C CG . TRP C 108 ? 0.1005 0.0886 0.0959 0.0020 -0.0070 -0.0056 108 TRP C CG 8613 C CD1 . TRP C 108 ? 0.1417 0.1308 0.1369 0.0023 -0.0073 -0.0053 108 TRP C CD1 8614 C CD2 . TRP C 108 ? 0.1241 0.1125 0.1206 0.0015 -0.0073 -0.0056 108 TRP C CD2 8615 N NE1 . TRP C 108 ? 0.1465 0.1366 0.1426 0.0020 -0.0078 -0.0051 108 TRP C NE1 8616 C CE2 . TRP C 108 ? 0.1325 0.1222 0.1295 0.0015 -0.0077 -0.0053 108 TRP C CE2 8617 C CE3 . TRP C 108 ? 0.1223 0.1101 0.1195 0.0010 -0.0072 -0.0058 108 TRP C CE3 8618 C CZ2 . TRP C 108 ? 0.1491 0.1396 0.1472 0.0009 -0.0081 -0.0052 108 TRP C CZ2 8619 C CZ3 . TRP C 108 ? 0.1507 0.1391 0.1490 0.0006 -0.0076 -0.0057 108 TRP C CZ3 8620 C CH2 . TRP C 108 ? 0.1307 0.1205 0.1294 0.0005 -0.0080 -0.0054 108 TRP C CH2 8631 N N . ILE C 109 ? 0.0923 0.0773 0.0867 0.0027 -0.0050 -0.0055 109 ILE C N 8632 C CA . ILE C 109 ? 0.0865 0.0705 0.0804 0.0028 -0.0045 -0.0057 109 ILE C CA 8633 C C . ILE C 109 ? 0.1052 0.0888 0.0997 0.0024 -0.0046 -0.0060 109 ILE C C 8634 O O . ILE C 109 ? 0.1144 0.0982 0.1098 0.0021 -0.0046 -0.0058 109 ILE C O 8635 C CB . ILE C 109 ? 0.1107 0.0945 0.1046 0.0031 -0.0040 -0.0052 109 ILE C CB 8636 C CG1 . ILE C 109 ? 0.1385 0.1227 0.1319 0.0035 -0.0040 -0.0048 109 ILE C CG1 8637 C CG2 . ILE C 109 ? 0.1386 0.1216 0.1322 0.0031 -0.0035 -0.0053 109 ILE C CG2 8638 C CD1 . ILE C 109 ? 0.1441 0.1281 0.1364 0.0037 -0.0040 -0.0049 109 ILE C CD1 8650 N N . ASN C 110 ? 0.1118 0.0949 0.1060 0.0023 -0.0046 -0.0065 110 ASN C N 8651 C CA . ASN C 110 ? 0.1202 0.1028 0.1150 0.0019 -0.0046 -0.0069 110 ASN C CA 8652 C C . ASN C 110 ? 0.1174 0.1004 0.1131 0.0015 -0.0051 -0.0069 110 ASN C C 8653 O O . ASN C 110 ? 0.1656 0.1484 0.1622 0.0012 -0.0051 -0.0068 110 ASN C O 8654 C CB . ASN C 110 ? 0.1490 0.1311 0.1441 0.0020 -0.0041 -0.0067 110 ASN C CB 8655 C CG . ASN C 110 ? 0.1444 0.1261 0.1387 0.0023 -0.0036 -0.0067 110 ASN C CG 8656 O OD1 . ASN C 110 ? 0.1430 0.1245 0.1365 0.0024 -0.0037 -0.0071 110 ASN C OD1 8657 N ND2 . ASN C 110 ? 0.1847 0.1663 0.1792 0.0024 -0.0032 -0.0063 110 ASN C ND2 8664 N N . GLY C 111 ? 0.1114 0.0951 0.1069 0.0014 -0.0056 -0.0069 111 GLY C N 8665 C CA . GLY C 111 ? 0.1231 0.1073 0.1195 0.0010 -0.0061 -0.0069 111 GLY C CA 8666 C C . GLY C 111 ? 0.1516 0.1365 0.1488 0.0009 -0.0061 -0.0063 111 GLY C C 8667 O O . GLY C 111 ? 0.1877 0.1731 0.1858 0.0005 -0.0065 -0.0062 111 GLY C O 8671 N N . THR C 112 ? 0.1297 0.1147 0.1267 0.0013 -0.0056 -0.0059 112 THR C N 8672 C CA . THR C 112 ? 0.1317 0.1175 0.1295 0.0013 -0.0056 -0.0053 112 THR C CA 8673 C C . THR C 112 ? 0.1185 0.1050 0.1158 0.0018 -0.0056 -0.0050 112 THR C C 8674 O O . THR C 112 ? 0.1150 0.1012 0.1115 0.0022 -0.0053 -0.0050 112 THR C O 8675 C CB . THR C 112 ? 0.2113 0.1966 0.2092 0.0015 -0.0050 -0.0051 112 THR C CB 8676 O OG1 . THR C 112 ? 0.2867 0.2715 0.2838 0.0019 -0.0046 -0.0051 112 THR C OG1 8677 C CG2 . THR C 112 ? 0.1834 0.1680 0.1817 0.0011 -0.0050 -0.0054 112 THR C CG2 8685 N N . PRO C 113 ? 0.0945 0.0820 0.0925 0.0017 -0.0059 -0.0047 113 PRO C N 8686 C CA . PRO C 113 ? 0.1044 0.0928 0.1021 0.0022 -0.0060 -0.0044 113 PRO C CA 8687 C C . PRO C 113 ? 0.1009 0.0891 0.0985 0.0027 -0.0054 -0.0040 113 PRO C C 8688 O O . PRO C 113 ? 0.1043 0.0926 0.1025 0.0026 -0.0051 -0.0038 113 PRO C O 8689 C CB . PRO C 113 ? 0.1069 0.0965 0.1055 0.0018 -0.0065 -0.0042 113 PRO C CB 8690 C CG . PRO C 113 ? 0.1275 0.1170 0.1271 0.0014 -0.0064 -0.0042 113 PRO C CG 8691 C CD . PRO C 113 ? 0.1233 0.1115 0.1224 0.0012 -0.0062 -0.0046 113 PRO C CD 8699 N N . LEU C 114 ? 0.0889 0.0770 0.0857 0.0032 -0.0053 -0.0039 114 LEU C N 8700 C CA . LEU C 114 ? 0.0923 0.0804 0.0891 0.0037 -0.0048 -0.0035 114 LEU C CA 8701 C C . LEU C 114 ? 0.0795 0.0687 0.0768 0.0039 -0.0051 -0.0031 114 LEU C C 8702 O O . LEU C 114 ? 0.0983 0.0885 0.0961 0.0037 -0.0056 -0.0031 114 LEU C O 8703 C CB . LEU C 114 ? 0.1088 0.0960 0.1044 0.0041 -0.0046 -0.0034 114 LEU C CB 8704 C CG . LEU C 114 ? 0.1372 0.1234 0.1322 0.0039 -0.0043 -0.0038 114 LEU C CG 8705 C CD1 . LEU C 114 ? 0.1114 0.0968 0.1055 0.0044 -0.0039 -0.0036 114 LEU C CD1 8706 C CD2 . LEU C 114 ? 0.1489 0.1346 0.1444 0.0036 -0.0041 -0.0040 114 LEU C CD2 8718 N N . VAL C 115 ? 0.0900 0.0793 0.0874 0.0044 -0.0047 -0.0028 115 VAL C N 8719 C CA A VAL C 115 ? 0.0862 0.0767 0.0842 0.0048 -0.0048 -0.0024 115 VAL C CA 8720 C CA B VAL C 115 ? 0.0852 0.0757 0.0831 0.0048 -0.0048 -0.0024 115 VAL C CA 8721 C C . VAL C 115 ? 0.0823 0.0732 0.0798 0.0051 -0.0052 -0.0022 115 VAL C C 8722 O O . VAL C 115 ? 0.0911 0.0812 0.0876 0.0054 -0.0050 -0.0022 115 VAL C O 8723 C CB A VAL C 115 ? 0.0810 0.0712 0.0790 0.0053 -0.0043 -0.0022 115 VAL C CB 8724 C CB B VAL C 115 ? 0.0880 0.0783 0.0861 0.0053 -0.0043 -0.0021 115 VAL C CB 8725 C CG1 A VAL C 115 ? 0.1013 0.0927 0.0998 0.0058 -0.0044 -0.0018 115 VAL C CG1 8726 C CG1 B VAL C 115 ? 0.0808 0.0699 0.0779 0.0057 -0.0040 -0.0021 115 VAL C CG1 8727 C CG2 A VAL C 115 ? 0.0979 0.0877 0.0963 0.0050 -0.0039 -0.0023 115 VAL C CG2 8728 C CG2 B VAL C 115 ? 0.0932 0.0848 0.0919 0.0057 -0.0045 -0.0018 115 VAL C CG2 8747 N N . LYS C 116 ? 0.0962 0.0884 0.0942 0.0050 -0.0057 -0.0021 116 LYS C N 8748 C CA . LYS C 116 ? 0.0931 0.0860 0.0908 0.0053 -0.0061 -0.0019 116 LYS C CA 8749 C C . LYS C 116 ? 0.1275 0.1203 0.1248 0.0062 -0.0058 -0.0014 116 LYS C C 8750 O O . LYS C 116 ? 0.1227 0.1157 0.1206 0.0065 -0.0054 -0.0012 116 LYS C O 8751 C CB . LYS C 116 ? 0.1023 0.0968 0.1007 0.0051 -0.0067 -0.0018 116 LYS C CB 8752 C CG . LYS C 116 ? 0.1278 0.1223 0.1263 0.0042 -0.0071 -0.0023 116 LYS C CG 8753 C CD . LYS C 116 ? 0.1691 0.1653 0.1687 0.0039 -0.0077 -0.0021 116 LYS C CD 8754 C CE . LYS C 116 ? 0.2149 0.2113 0.2146 0.0031 -0.0083 -0.0025 116 LYS C CE 8755 N NZ . LYS C 116 ? 0.1760 0.1714 0.1759 0.0025 -0.0081 -0.0029 116 LYS C NZ 8769 N N . LYS C 117 ? 0.0966 0.0893 0.0932 0.0065 -0.0059 -0.0013 117 LYS C N 8770 C CA . LYS C 117 ? 0.0922 0.0849 0.0885 0.0074 -0.0057 -0.0007 117 LYS C CA 8771 C C . LYS C 117 ? 0.1312 0.1250 0.1273 0.0076 -0.0063 -0.0005 117 LYS C C 8772 O O . LYS C 117 ? 0.1382 0.1327 0.1343 0.0070 -0.0068 -0.0007 117 LYS C O 8773 C CB . LYS C 117 ? 0.1245 0.1156 0.1199 0.0076 -0.0052 -0.0007 117 LYS C CB 8774 C CG . LYS C 117 ? 0.0985 0.0885 0.0940 0.0074 -0.0047 -0.0010 117 LYS C CG 8775 C CD . LYS C 117 ? 0.1041 0.0943 0.1004 0.0077 -0.0043 -0.0009 117 LYS C CD 8776 C CE . LYS C 117 ? 0.1155 0.1050 0.1121 0.0073 -0.0039 -0.0012 117 LYS C CE 8777 N NZ . LYS C 117 ? 0.1244 0.1123 0.1202 0.0074 -0.0035 -0.0013 117 LYS C NZ 8791 N N . GLY C 118 ? 0.1013 0.0954 0.0974 0.0083 -0.0062 0.0001 118 GLY C N 8792 C CA . GLY C 118 ? 0.1073 0.1026 0.1032 0.0086 -0.0068 0.0004 118 GLY C CA 8793 C C . GLY C 118 ? 0.1236 0.1184 0.1187 0.0093 -0.0066 0.0010 118 GLY C C 8794 O O . GLY C 118 ? 0.1362 0.1302 0.1314 0.0099 -0.0061 0.0013 118 GLY C O 8798 N N . LEU C 119 ? 0.1017 0.0971 0.0962 0.0093 -0.0071 0.0012 119 LEU C N 8799 C CA . LEU C 119 ? 0.1135 0.1086 0.1072 0.0100 -0.0070 0.0018 119 LEU C CA 8800 C C . LEU C 119 ? 0.1165 0.1130 0.1099 0.0100 -0.0077 0.0020 119 LEU C C 8801 O O . LEU C 119 ? 0.1082 0.1053 0.1014 0.0093 -0.0082 0.0015 119 LEU C O 8802 C CB . LEU C 119 ? 0.1168 0.1102 0.1095 0.0100 -0.0065 0.0017 119 LEU C CB 8803 C CG . LEU C 119 ? 0.1083 0.1014 0.1000 0.0094 -0.0067 0.0012 119 LEU C CG 8804 C CD1 . LEU C 119 ? 0.1342 0.1258 0.1250 0.0095 -0.0062 0.0014 119 LEU C CD1 8805 C CD2 . LEU C 119 ? 0.1184 0.1115 0.1106 0.0085 -0.0068 0.0004 119 LEU C CD2 8817 N N . ARG C 120 ? 0.1270 0.1239 0.1201 0.0108 -0.0078 0.0027 120 ARG C N 8818 C CA . ARG C 120 ? 0.1097 0.1077 0.1022 0.0109 -0.0084 0.0030 120 ARG C CA 8819 C C . ARG C 120 ? 0.1155 0.1154 0.1086 0.0104 -0.0091 0.0028 120 ARG C C 8820 O O . ARG C 120 ? 0.1339 0.1346 0.1264 0.0100 -0.0097 0.0026 120 ARG C O 8821 C CB . ARG C 120 ? 0.1307 0.1278 0.1218 0.0105 -0.0083 0.0028 120 ARG C CB 8822 C CG . ARG C 120 ? 0.2002 0.1958 0.1907 0.0110 -0.0077 0.0033 120 ARG C CG 8823 C CD . ARG C 120 ? 0.3885 0.3849 0.3787 0.0118 -0.0080 0.0042 120 ARG C CD 8824 N NE . ARG C 120 ? 0.2470 0.2425 0.2361 0.0121 -0.0078 0.0047 120 ARG C NE 8825 C CZ . ARG C 120 ? 0.2270 0.2232 0.2157 0.0127 -0.0080 0.0056 120 ARG C CZ 8826 N NH1 . ARG C 120 ? 0.2998 0.2975 0.2892 0.0132 -0.0085 0.0060 120 ARG C NH1 8827 N NH2 . ARG C 120 ? 0.1982 0.1937 0.1859 0.0129 -0.0078 0.0061 120 ARG C NH2 8841 N N . GLN C 121 ? 0.1423 0.1431 0.1367 0.0105 -0.0092 0.0028 121 GLN C N 8842 C CA . GLN C 121 ? 0.1327 0.1353 0.1278 0.0101 -0.0099 0.0027 121 GLN C CA 8843 C C . GLN C 121 ? 0.1357 0.1398 0.1305 0.0105 -0.0105 0.0033 121 GLN C C 8844 O O . GLN C 121 ? 0.1635 0.1677 0.1582 0.0114 -0.0103 0.0040 121 GLN C O 8845 C CB . GLN C 121 ? 0.1508 0.1543 0.1474 0.0102 -0.0097 0.0028 121 GLN C CB 8846 C CG . GLN C 121 ? 0.1454 0.1510 0.1430 0.0098 -0.0104 0.0027 121 GLN C CG 8847 C CD . GLN C 121 ? 0.1417 0.1481 0.1407 0.0099 -0.0102 0.0028 121 GLN C CD 8848 O OE1 . GLN C 121 ? 0.2091 0.2151 0.2084 0.0108 -0.0097 0.0033 121 GLN C OE1 8849 N NE2 . GLN C 121 ? 0.1949 0.2024 0.1947 0.0092 -0.0106 0.0025 121 GLN C NE2 8858 N N . GLY C 122 ? 0.1218 0.1269 0.1162 0.0098 -0.0111 0.0029 122 GLY C N 8859 C CA . GLY C 122 ? 0.1385 0.1451 0.1324 0.0100 -0.0118 0.0033 122 GLY C CA 8860 C C . GLY C 122 ? 0.1605 0.1665 0.1529 0.0102 -0.0118 0.0034 122 GLY C C 8861 O O . GLY C 122 ? 0.2162 0.2234 0.2080 0.0102 -0.0124 0.0037 122 GLY C O 8865 N N . TYR C 123 ? 0.1387 0.1427 0.1304 0.0102 -0.0112 0.0032 123 TYR C N 8866 C CA . TYR C 123 ? 0.1200 0.1233 0.1102 0.0103 -0.0111 0.0034 123 TYR C CA 8867 C C . TYR C 123 ? 0.1399 0.1434 0.1292 0.0095 -0.0115 0.0025 123 TYR C C 8868 O O . TYR C 123 ? 0.1561 0.1595 0.1459 0.0087 -0.0116 0.0017 123 TYR C O 8869 C CB . TYR C 123 ? 0.1445 0.1456 0.1343 0.0106 -0.0102 0.0034 123 TYR C CB 8870 C CG . TYR C 123 ? 0.1612 0.1614 0.1496 0.0108 -0.0099 0.0037 123 TYR C CG 8871 C CD1 . TYR C 123 ? 0.1724 0.1730 0.1604 0.0115 -0.0100 0.0047 123 TYR C CD1 8872 C CD2 . TYR C 123 ? 0.1494 0.1484 0.1369 0.0102 -0.0096 0.0031 123 TYR C CD2 8873 C CE1 . TYR C 123 ? 0.1666 0.1665 0.1533 0.0117 -0.0098 0.0051 123 TYR C CE1 8874 C CE2 . TYR C 123 ? 0.1364 0.1347 0.1226 0.0104 -0.0094 0.0034 123 TYR C CE2 8875 C CZ . TYR C 123 ? 0.1817 0.1805 0.1675 0.0111 -0.0095 0.0044 123 TYR C CZ 8876 O OH . TYR C 123 ? 0.1804 0.1785 0.1649 0.0113 -0.0092 0.0048 123 TYR C OH 8886 N N . PHE C 124 ? 0.1447 0.1484 0.1327 0.0096 -0.0117 0.0027 124 PHE C N 8887 C CA . PHE C 124 ? 0.1856 0.1892 0.1726 0.0088 -0.0120 0.0018 124 PHE C CA 8888 C C . PHE C 124 ? 0.1447 0.1467 0.1304 0.0090 -0.0113 0.0019 124 PHE C C 8889 O O . PHE C 124 ? 0.1826 0.1845 0.1676 0.0097 -0.0111 0.0028 124 PHE C O 8890 C CB . PHE C 124 ? 0.1928 0.1983 0.1791 0.0088 -0.0128 0.0019 124 PHE C CB 8891 C CG . PHE C 124 ? 0.2918 0.2990 0.2792 0.0084 -0.0136 0.0017 124 PHE C CG 8892 C CD1 . PHE C 124 ? 0.3249 0.3320 0.3138 0.0082 -0.0134 0.0016 124 PHE C CD1 8893 C CD2 . PHE C 124 ? 0.5686 0.5775 0.5555 0.0082 -0.0144 0.0016 124 PHE C CD2 8894 C CE1 . PHE C 124 ? 0.4581 0.4669 0.4481 0.0079 -0.0141 0.0015 124 PHE C CE1 8895 C CE2 . PHE C 124 ? 0.5226 0.5332 0.5106 0.0078 -0.0151 0.0015 124 PHE C CE2 8896 C CZ . PHE C 124 ? 0.4386 0.4491 0.4281 0.0076 -0.0150 0.0014 124 PHE C CZ 8906 N N . VAL C 125 ? 0.1539 0.1546 0.1392 0.0084 -0.0110 0.0010 125 VAL C N 8907 C CA . VAL C 125 ? 0.1355 0.1349 0.1197 0.0085 -0.0104 0.0010 125 VAL C CA 8908 C C . VAL C 125 ? 0.1583 0.1586 0.1410 0.0085 -0.0108 0.0011 125 VAL C C 8909 O O . VAL C 125 ? 0.1693 0.1707 0.1517 0.0080 -0.0114 0.0004 125 VAL C O 8910 C CB . VAL C 125 ? 0.1593 0.1574 0.1436 0.0079 -0.0100 0.0000 125 VAL C CB 8911 C CG1 . VAL C 125 ? 0.1619 0.1590 0.1450 0.0078 -0.0095 -0.0001 125 VAL C CG1 8912 C CG2 . VAL C 125 ? 0.1853 0.1825 0.1710 0.0079 -0.0095 0.0001 125 VAL C CG2 8922 N N . GLU C 126 ? 0.1497 0.1497 0.1316 0.0091 -0.0105 0.0019 126 GLU C N 8923 C CA . GLU C 126 ? 0.1580 0.1591 0.1385 0.0091 -0.0109 0.0020 126 GLU C CA 8924 C C . GLU C 126 ? 0.1973 0.1982 0.1767 0.0085 -0.0109 0.0010 126 GLU C C 8925 O O . GLU C 126 ? 0.1867 0.1862 0.1661 0.0082 -0.0103 0.0004 126 GLU C O 8926 C CB . GLU C 126 ? 0.1929 0.1938 0.1728 0.0099 -0.0105 0.0033 126 GLU C CB 8927 C CG . GLU C 126 ? 0.3228 0.3240 0.3037 0.0106 -0.0106 0.0043 126 GLU C CG 8928 C CD . GLU C 126 ? 0.5837 0.5863 0.5639 0.0111 -0.0110 0.0053 126 GLU C CD 8929 O OE1 . GLU C 126 ? 0.4362 0.4387 0.4170 0.0119 -0.0109 0.0064 126 GLU C OE1 8930 O OE2 . GLU C 126 ? 0.5809 0.5847 0.5600 0.0109 -0.0115 0.0051 126 GLU C OE2 8937 N N . ALA C 127 ? 0.2192 0.2215 0.1976 0.0084 -0.0115 0.0009 127 ALA C N 8938 C CA . ALA C 127 ? 0.1982 0.2005 0.1755 0.0079 -0.0115 -0.0002 127 ALA C CA 8939 C C . ALA C 127 ? 0.1568 0.1587 0.1325 0.0082 -0.0110 0.0002 127 ALA C C 8940 O O . ALA C 127 ? 0.2030 0.2044 0.1786 0.0087 -0.0106 0.0013 127 ALA C O 8941 C CB . ALA C 127 ? 0.3039 0.3079 0.2807 0.0075 -0.0125 -0.0007 127 ALA C CB 8947 N N . GLN C 128 ? 0.2006 0.2026 0.1751 0.0078 -0.0111 -0.0007 128 GLN C N 8948 C CA A GLN C 128 ? 0.1835 0.1853 0.1566 0.0080 -0.0106 -0.0005 128 GLN C CA 8949 C CA B GLN C 128 ? 0.1870 0.1887 0.1601 0.0080 -0.0106 -0.0005 128 GLN C CA 8950 C C . GLN C 128 ? 0.1592 0.1592 0.1326 0.0082 -0.0097 -0.0001 128 GLN C C 8951 O O . GLN C 128 ? 0.1950 0.1949 0.1679 0.0086 -0.0093 0.0009 128 GLN C O 8952 C CB A GLN C 128 ? 0.2214 0.2247 0.1934 0.0084 -0.0110 0.0004 128 GLN C CB 8953 C CB B GLN C 128 ? 0.2258 0.2290 0.1978 0.0084 -0.0110 0.0005 128 GLN C CB 8954 C CG A GLN C 128 ? 0.2660 0.2710 0.2374 0.0081 -0.0120 -0.0001 128 GLN C CG 8955 C CG B GLN C 128 ? 0.2773 0.2823 0.2485 0.0081 -0.0119 -0.0001 128 GLN C CG 8956 C CD A GLN C 128 ? 0.4060 0.4126 0.3761 0.0085 -0.0123 0.0007 128 GLN C CD 8957 C CD B GLN C 128 ? 0.3283 0.3344 0.3007 0.0082 -0.0126 0.0002 128 GLN C CD 8958 O OE1 A GLN C 128 ? 0.4479 0.4544 0.4177 0.0091 -0.0119 0.0020 128 GLN C OE1 8959 O OE1 B GLN C 128 ? 0.3656 0.3715 0.3390 0.0086 -0.0125 0.0012 128 GLN C OE1 8960 N NE2 A GLN C 128 ? 0.5277 0.5357 0.4968 0.0082 -0.0130 0.0000 128 GLN C NE2 8961 N NE2 B GLN C 128 ? 0.4644 0.4717 0.4366 0.0077 -0.0134 -0.0007 128 GLN C NE2 8978 N N . PRO C 129 ? 0.1602 0.1589 0.1345 0.0078 -0.0093 -0.0009 129 PRO C N 8979 C CA . PRO C 129 ? 0.1601 0.1573 0.1349 0.0079 -0.0085 -0.0005 129 PRO C CA 8980 C C . PRO C 129 ? 0.1599 0.1567 0.1335 0.0079 -0.0079 -0.0008 129 PRO C C 8981 O O . PRO C 129 ? 0.1964 0.1937 0.1689 0.0076 -0.0081 -0.0016 129 PRO C O 8982 C CB . PRO C 129 ? 0.1656 0.1619 0.1417 0.0075 -0.0084 -0.0014 129 PRO C CB 8983 C CG . PRO C 129 ? 0.1798 0.1769 0.1556 0.0070 -0.0091 -0.0025 129 PRO C CG 8984 C CD . PRO C 129 ? 0.1734 0.1722 0.1485 0.0072 -0.0098 -0.0020 129 PRO C CD 8992 N N . LYS C 130 ? 0.1448 0.1404 0.1186 0.0081 -0.0071 -0.0001 130 LYS C N 8993 C CA . LYS C 130 ? 0.1385 0.1332 0.1118 0.0079 -0.0064 -0.0006 130 LYS C CA 8994 C C . LYS C 130 ? 0.1130 0.1064 0.0876 0.0077 -0.0061 -0.0010 130 LYS C C 8995 O O . LYS C 130 ? 0.1367 0.1295 0.1124 0.0078 -0.0060 -0.0004 130 LYS C O 8996 C CB . LYS C 130 ? 0.1593 0.1539 0.1317 0.0082 -0.0059 0.0005 130 LYS C CB 8997 C CG . LYS C 130 ? 0.2273 0.2233 0.1981 0.0084 -0.0062 0.0007 130 LYS C CG 8998 C CD . LYS C 130 ? 0.3333 0.3294 0.3032 0.0087 -0.0056 0.0017 130 LYS C CD 8999 C CE . LYS C 130 ? 0.3544 0.3521 0.3227 0.0088 -0.0060 0.0018 130 LYS C CE 9000 N NZ . LYS C 130 ? 0.4704 0.4685 0.4377 0.0085 -0.0060 0.0004 130 LYS C NZ 9014 N N . ILE C 131 ? 0.1186 0.1116 0.0932 0.0073 -0.0060 -0.0021 131 ILE C N 9015 C CA . ILE C 131 ? 0.1047 0.0966 0.0806 0.0070 -0.0057 -0.0027 131 ILE C CA 9016 C C . ILE C 131 ? 0.1061 0.0970 0.0816 0.0069 -0.0049 -0.0029 131 ILE C C 9017 O O . ILE C 131 ? 0.1284 0.1197 0.1029 0.0068 -0.0048 -0.0035 131 ILE C O 9018 C CB . ILE C 131 ? 0.1266 0.1187 0.1029 0.0066 -0.0063 -0.0039 131 ILE C CB 9019 C CG1 . ILE C 131 ? 0.1473 0.1404 0.1239 0.0066 -0.0071 -0.0036 131 ILE C CG1 9020 C CG2 . ILE C 131 ? 0.1238 0.1147 0.1013 0.0063 -0.0060 -0.0043 131 ILE C CG2 9021 C CD1 . ILE C 131 ? 0.1594 0.1529 0.1365 0.0061 -0.0077 -0.0047 131 ILE C CD1 9033 N N . VAL C 132 ? 0.1020 0.0919 0.0784 0.0069 -0.0044 -0.0025 132 VAL C N 9034 C CA . VAL C 132 ? 0.1069 0.0961 0.0831 0.0069 -0.0037 -0.0025 132 VAL C CA 9035 C C . VAL C 132 ? 0.1112 0.0993 0.0886 0.0066 -0.0034 -0.0029 132 VAL C C 9036 O O . VAL C 132 ? 0.1187 0.1063 0.0973 0.0066 -0.0035 -0.0026 132 VAL C O 9037 C CB . VAL C 132 ? 0.1370 0.1260 0.1128 0.0072 -0.0032 -0.0013 132 VAL C CB 9038 C CG1 . VAL C 132 ? 0.1430 0.1311 0.1188 0.0071 -0.0024 -0.0012 132 VAL C CG1 9039 C CG2 . VAL C 132 ? 0.1421 0.1322 0.1166 0.0074 -0.0034 -0.0008 132 VAL C CG2 9049 N N . LEU C 133 ? 0.1100 0.0978 0.0873 0.0064 -0.0030 -0.0037 133 LEU C N 9050 C CA . LEU C 133 ? 0.1127 0.0995 0.0910 0.0062 -0.0026 -0.0040 133 LEU C CA 9051 C C . LEU C 133 ? 0.1152 0.1016 0.0932 0.0063 -0.0018 -0.0034 133 LEU C C 9052 O O . LEU C 133 ? 0.1245 0.1114 0.1013 0.0064 -0.0016 -0.0033 133 LEU C O 9053 C CB . LEU C 133 ? 0.1172 0.1039 0.0956 0.0059 -0.0027 -0.0051 133 LEU C CB 9054 C CG . LEU C 133 ? 0.1091 0.0962 0.0878 0.0058 -0.0034 -0.0058 133 LEU C CG 9055 C CD1 . LEU C 133 ? 0.1316 0.1182 0.1104 0.0055 -0.0034 -0.0070 133 LEU C CD1 9056 C CD2 . LEU C 133 ? 0.1390 0.1258 0.1189 0.0057 -0.0037 -0.0055 133 LEU C CD2 9068 N N . GLY C 134 ? 0.1116 0.0971 0.0905 0.0062 -0.0015 -0.0031 134 GLY C N 9069 C CA . GLY C 134 ? 0.1155 0.1005 0.0943 0.0061 -0.0008 -0.0027 134 GLY C CA 9070 C C . GLY C 134 ? 0.1100 0.0947 0.0887 0.0063 -0.0005 -0.0015 134 GLY C C 9071 O O . GLY C 134 ? 0.1218 0.1060 0.1009 0.0062 0.0000 -0.0011 134 GLY C O 9075 N N . GLN C 135 ? 0.1106 0.0958 0.0890 0.0066 -0.0009 -0.0010 135 GLN C N 9076 C CA . GLN C 135 ? 0.1120 0.0969 0.0904 0.0068 -0.0008 0.0001 135 GLN C CA 9077 C C . GLN C 135 ? 0.1201 0.1050 0.0988 0.0070 -0.0014 0.0003 135 GLN C C 9078 O O . GLN C 135 ? 0.1375 0.1232 0.1162 0.0070 -0.0019 -0.0002 135 GLN C O 9079 C CB . GLN C 135 ? 0.1201 0.1055 0.0971 0.0069 -0.0006 0.0008 135 GLN C CB 9080 C CG . GLN C 135 ? 0.1173 0.1028 0.0939 0.0067 0.0000 0.0006 135 GLN C CG 9081 C CD . GLN C 135 ? 0.1234 0.1080 0.1006 0.0065 0.0006 0.0010 135 GLN C CD 9082 O OE1 . GLN C 135 ? 0.1511 0.1348 0.1289 0.0066 0.0007 0.0017 135 GLN C OE1 9083 N NE2 . GLN C 135 ? 0.1277 0.1123 0.1048 0.0063 0.0011 0.0006 135 GLN C NE2 9092 N N . GLU C 136 ? 0.1271 0.1114 0.1062 0.0072 -0.0012 0.0012 136 GLU C N 9093 C CA . GLU C 136 ? 0.1206 0.1051 0.1001 0.0075 -0.0017 0.0016 136 GLU C CA 9094 C C . GLU C 136 ? 0.1169 0.1020 0.0954 0.0079 -0.0018 0.0025 136 GLU C C 9095 O O . GLU C 136 ? 0.1402 0.1248 0.1184 0.0080 -0.0014 0.0033 136 GLU C O 9096 C CB . GLU C 136 ? 0.1445 0.1279 0.1251 0.0076 -0.0015 0.0019 136 GLU C CB 9097 C CG . GLU C 136 ? 0.1239 0.1074 0.1053 0.0078 -0.0019 0.0020 136 GLU C CG 9098 C CD . GLU C 136 ? 0.1291 0.1130 0.1102 0.0084 -0.0022 0.0029 136 GLU C CD 9099 O OE1 . GLU C 136 ? 0.1401 0.1249 0.1213 0.0086 -0.0027 0.0028 136 GLU C OE1 9100 O OE2 . GLU C 136 ? 0.1392 0.1225 0.1199 0.0085 -0.0018 0.0037 136 GLU C OE2 9107 N N . GLN C 137 ? 0.1088 0.0950 0.0870 0.0081 -0.0024 0.0025 137 GLN C N 9108 C CA . GLN C 137 ? 0.1148 0.1016 0.0921 0.0085 -0.0026 0.0034 137 GLN C CA 9109 C C . GLN C 137 ? 0.1424 0.1287 0.1202 0.0089 -0.0026 0.0044 137 GLN C C 9110 O O . GLN C 137 ? 0.1410 0.1270 0.1199 0.0090 -0.0029 0.0042 137 GLN C O 9111 C CB . GLN C 137 ? 0.1205 0.1088 0.0972 0.0086 -0.0033 0.0031 137 GLN C CB 9112 C CG . GLN C 137 ? 0.1341 0.1230 0.1100 0.0083 -0.0033 0.0021 137 GLN C CG 9113 C CD . GLN C 137 ? 0.1552 0.1454 0.1308 0.0083 -0.0041 0.0016 137 GLN C CD 9114 O OE1 . GLN C 137 ? 0.1610 0.1522 0.1356 0.0085 -0.0044 0.0021 137 GLN C OE1 9115 N NE2 . GLN C 137 ? 0.1380 0.1282 0.1144 0.0080 -0.0044 0.0008 137 GLN C NE2 9124 N N . ASP C 138 ? 0.1438 0.1299 0.1210 0.0092 -0.0024 0.0055 138 ASP C N 9125 C CA . ASP C 138 ? 0.1567 0.1425 0.1342 0.0097 -0.0026 0.0065 138 ASP C CA 9126 C C . ASP C 138 ? 0.1960 0.1831 0.1726 0.0101 -0.0030 0.0073 138 ASP C C 9127 O O . ASP C 138 ? 0.2228 0.2099 0.1996 0.0107 -0.0032 0.0082 138 ASP C O 9128 C CB . ASP C 138 ? 0.1463 0.1307 0.1242 0.0098 -0.0020 0.0073 138 ASP C CB 9129 C CG . ASP C 138 ? 0.1136 0.0967 0.0926 0.0095 -0.0017 0.0067 138 ASP C CG 9130 O OD1 . ASP C 138 ? 0.1435 0.1269 0.1233 0.0095 -0.0020 0.0059 138 ASP C OD1 9131 O OD2 . ASP C 138 ? 0.1721 0.1540 0.1513 0.0094 -0.0011 0.0070 138 ASP C OD2 9136 N N . SER C 139 ? 0.1612 0.1494 0.1367 0.0099 -0.0031 0.0069 139 SER C N 9137 C CA . SER C 139 ? 0.1631 0.1528 0.1377 0.0103 -0.0036 0.0074 139 SER C CA 9138 C C . SER C 139 ? 0.2104 0.2014 0.1845 0.0100 -0.0042 0.0063 139 SER C C 9139 O O . SER C 139 ? 0.1859 0.1766 0.1606 0.0096 -0.0042 0.0052 139 SER C O 9140 C CB . SER C 139 ? 0.1750 0.1647 0.1483 0.0103 -0.0032 0.0082 139 SER C CB 9141 O OG . SER C 139 ? 0.1964 0.1864 0.1691 0.0098 -0.0029 0.0074 139 SER C OG 9147 N N . TYR C 140 ? 0.1846 0.1770 0.1576 0.0102 -0.0046 0.0066 140 TYR C N 9148 C CA . TYR C 140 ? 0.1662 0.1599 0.1388 0.0099 -0.0052 0.0055 140 TYR C CA 9149 C C . TYR C 140 ? 0.2032 0.1970 0.1748 0.0095 -0.0047 0.0048 140 TYR C C 9150 O O . TYR C 140 ? 0.2183 0.2129 0.1885 0.0096 -0.0047 0.0052 140 TYR C O 9151 C CB . TYR C 140 ? 0.1706 0.1659 0.1425 0.0102 -0.0059 0.0060 140 TYR C CB 9152 C CG . TYR C 140 ? 0.1756 0.1722 0.1470 0.0099 -0.0065 0.0049 140 TYR C CG 9153 C CD1 . TYR C 140 ? 0.1727 0.1693 0.1452 0.0097 -0.0069 0.0039 140 TYR C CD1 9154 C CD2 . TYR C 140 ? 0.1974 0.1955 0.1674 0.0099 -0.0068 0.0049 140 TYR C CD2 9155 C CE1 . TYR C 140 ? 0.1920 0.1897 0.1641 0.0093 -0.0075 0.0029 140 TYR C CE1 9156 C CE2 . TYR C 140 ? 0.2320 0.2313 0.2015 0.0097 -0.0075 0.0039 140 TYR C CE2 9157 C CZ . TYR C 140 ? 0.2071 0.2062 0.1777 0.0093 -0.0078 0.0029 140 TYR C CZ 9158 O OH . TYR C 140 ? 0.2399 0.2400 0.2101 0.0090 -0.0085 0.0018 140 TYR C OH 9168 N N . GLY C 141 ? 0.1644 0.1572 0.1367 0.0091 -0.0044 0.0039 141 GLY C N 9169 C CA . GLY C 141 ? 0.1795 0.1723 0.1511 0.0088 -0.0039 0.0031 141 GLY C CA 9170 C C . GLY C 141 ? 0.1985 0.1901 0.1702 0.0087 -0.0031 0.0035 141 GLY C C 9171 O O . GLY C 141 ? 0.2512 0.2427 0.2225 0.0084 -0.0027 0.0029 141 GLY C O 9175 N N . GLY C 142 ? 0.1754 0.1660 0.1478 0.0089 -0.0028 0.0046 142 GLY C N 9176 C CA . GLY C 142 ? 0.1610 0.1506 0.1334 0.0087 -0.0021 0.0050 142 GLY C CA 9177 C C . GLY C 142 ? 0.1850 0.1732 0.1586 0.0088 -0.0018 0.0058 142 GLY C C 9178 O O . GLY C 142 ? 0.1769 0.1647 0.1516 0.0089 -0.0021 0.0055 142 GLY C O 9182 N N . LYS C 143 ? 0.1899 0.1774 0.1633 0.0089 -0.0013 0.0067 143 LYS C N 9183 C CA . LYS C 143 ? 0.1708 0.1569 0.1452 0.0089 -0.0009 0.0074 143 LYS C CA 9184 C C . LYS C 143 ? 0.1548 0.1399 0.1303 0.0086 -0.0008 0.0064 143 LYS C C 9185 O O . LYS C 143 ? 0.1736 0.1581 0.1502 0.0087 -0.0009 0.0064 143 LYS C O 9186 C CB . LYS C 143 ? 0.2118 0.1977 0.1865 0.0094 -0.0013 0.0083 143 LYS C CB 9187 C CG . LYS C 143 ? 0.3534 0.3398 0.3271 0.0098 -0.0013 0.0096 143 LYS C CG 9188 C CD . LYS C 143 ? 0.4944 0.4803 0.4688 0.0103 -0.0016 0.0106 143 LYS C CD 9189 C CE . LYS C 143 ? 0.6208 0.6049 0.5957 0.0103 -0.0010 0.0115 143 LYS C CE 9190 N NZ . LYS C 143 ? 0.5519 0.5347 0.5281 0.0103 -0.0009 0.0110 143 LYS C NZ 9204 N N . PHE C 144 ? 0.1537 0.1388 0.1290 0.0081 -0.0003 0.0058 144 PHE C N 9205 C CA . PHE C 144 ? 0.1485 0.1329 0.1248 0.0078 -0.0001 0.0049 144 PHE C CA 9206 C C . PHE C 144 ? 0.1668 0.1498 0.1439 0.0076 0.0004 0.0054 144 PHE C C 9207 O O . PHE C 144 ? 0.1854 0.1679 0.1621 0.0077 0.0007 0.0065 144 PHE C O 9208 C CB . PHE C 144 ? 0.1451 0.1301 0.1209 0.0075 0.0001 0.0040 144 PHE C CB 9209 C CG . PHE C 144 ? 0.1493 0.1356 0.1242 0.0076 -0.0004 0.0034 144 PHE C CG 9210 C CD1 . PHE C 144 ? 0.1768 0.1635 0.1521 0.0077 -0.0010 0.0030 144 PHE C CD1 9211 C CD2 . PHE C 144 ? 0.1812 0.1684 0.1551 0.0075 -0.0002 0.0031 144 PHE C CD2 9212 C CE1 . PHE C 144 ? 0.1580 0.1459 0.1325 0.0078 -0.0015 0.0023 144 PHE C CE1 9213 C CE2 . PHE C 144 ? 0.1921 0.1804 0.1651 0.0076 -0.0006 0.0025 144 PHE C CE2 9214 C CZ . PHE C 144 ? 0.1777 0.1664 0.1511 0.0077 -0.0013 0.0021 144 PHE C CZ 9224 N N . ASP C 145 ? 0.1607 0.1430 0.1387 0.0073 0.0005 0.0047 145 ASP C N 9225 C CA . ASP C 145 ? 0.1569 0.1378 0.1358 0.0071 0.0009 0.0050 145 ASP C CA 9226 C C . ASP C 145 ? 0.1862 0.1669 0.1656 0.0067 0.0012 0.0041 145 ASP C C 9227 O O . ASP C 145 ? 0.1465 0.1274 0.1265 0.0066 0.0010 0.0032 145 ASP C O 9228 C CB . ASP C 145 ? 0.1731 0.1533 0.1528 0.0074 0.0006 0.0052 145 ASP C CB 9229 C CG . ASP C 145 ? 0.2280 0.2068 0.2086 0.0072 0.0010 0.0054 145 ASP C CG 9230 O OD1 . ASP C 145 ? 0.2151 0.1934 0.1958 0.0068 0.0015 0.0052 145 ASP C OD1 9231 O OD2 . ASP C 145 ? 0.2293 0.2073 0.2104 0.0075 0.0008 0.0056 145 ASP C OD2 9236 N N . ARG C 146 ? 0.1619 0.1423 0.1411 0.0063 0.0018 0.0044 146 ARG C N 9237 C CA . ARG C 146 ? 0.1520 0.1324 0.1317 0.0059 0.0021 0.0036 146 ARG C CA 9238 C C . ARG C 146 ? 0.1655 0.1451 0.1464 0.0058 0.0020 0.0030 146 ARG C C 9239 O O . ARG C 146 ? 0.1588 0.1386 0.1401 0.0056 0.0020 0.0022 146 ARG C O 9240 C CB . ARG C 146 ? 0.2834 0.2635 0.2630 0.0056 0.0027 0.0042 146 ARG C CB 9241 C CG . ARG C 146 ? 0.3276 0.3077 0.3076 0.0052 0.0031 0.0036 146 ARG C CG 9242 C CD . ARG C 146 ? 0.2813 0.2611 0.2613 0.0048 0.0037 0.0044 146 ARG C CD 9243 N NE . ARG C 146 ? 0.4427 0.4225 0.4232 0.0044 0.0041 0.0039 146 ARG C NE 9244 C CZ . ARG C 146 ? 0.4839 0.4647 0.4639 0.0043 0.0044 0.0036 146 ARG C CZ 9245 N NH1 . ARG C 146 ? 0.4771 0.4589 0.4561 0.0046 0.0044 0.0038 146 ARG C NH1 9246 N NH2 . ARG C 146 ? 0.4604 0.4413 0.4411 0.0040 0.0047 0.0032 146 ARG C NH2 9260 N N . SER C 147 ? 0.1779 0.1566 0.1593 0.0059 0.0019 0.0035 147 SER C N 9261 C CA . SER C 147 ? 0.1473 0.1252 0.1297 0.0058 0.0018 0.0031 147 SER C CA 9262 C C . SER C 147 ? 0.1252 0.1036 0.1079 0.0060 0.0013 0.0024 147 SER C C 9263 O O . SER C 147 ? 0.1607 0.1387 0.1443 0.0059 0.0013 0.0019 147 SER C O 9264 C CB . SER C 147 ? 0.1788 0.1555 0.1615 0.0059 0.0020 0.0037 147 SER C CB 9265 O OG . SER C 147 ? 0.2480 0.2248 0.2306 0.0064 0.0016 0.0042 147 SER C OG 9271 N N . GLN C 148 ? 0.1277 0.1071 0.1098 0.0063 0.0010 0.0023 148 GLN C N 9272 C CA . GLN C 148 ? 0.1419 0.1219 0.1243 0.0064 0.0004 0.0016 148 GLN C CA 9273 C C . GLN C 148 ? 0.1323 0.1132 0.1143 0.0062 0.0003 0.0009 148 GLN C C 9274 O O . GLN C 148 ? 0.1303 0.1118 0.1124 0.0063 -0.0001 0.0003 148 GLN C O 9275 C CB . GLN C 148 ? 0.1417 0.1221 0.1237 0.0069 0.0000 0.0021 148 GLN C CB 9276 C CG . GLN C 148 ? 0.1473 0.1269 0.1298 0.0072 0.0000 0.0028 148 GLN C CG 9277 C CD . GLN C 148 ? 0.1397 0.1197 0.1219 0.0077 -0.0004 0.0034 148 GLN C CD 9278 O OE1 . GLN C 148 ? 0.1642 0.1448 0.1455 0.0079 -0.0005 0.0039 148 GLN C OE1 9279 N NE2 . GLN C 148 ? 0.1585 0.1385 0.1415 0.0079 -0.0007 0.0032 148 GLN C NE2 9288 N N . SER C 149 ? 0.1405 0.1215 0.1219 0.0060 0.0008 0.0009 149 SER C N 9289 C CA . SER C 149 ? 0.1249 0.1068 0.1058 0.0059 0.0007 0.0002 149 SER C CA 9290 C C . SER C 149 ? 0.1506 0.1323 0.1323 0.0057 0.0006 -0.0007 149 SER C C 9291 O O . SER C 149 ? 0.1462 0.1272 0.1288 0.0055 0.0008 -0.0008 149 SER C O 9292 C CB . SER C 149 ? 0.1439 0.1259 0.1241 0.0058 0.0012 0.0005 149 SER C CB 9293 O OG . SER C 149 ? 0.1505 0.1319 0.1314 0.0055 0.0017 0.0005 149 SER C OG 9299 N N . PHE C 150 ? 0.1205 0.1028 0.1019 0.0057 0.0003 -0.0015 150 PHE C N 9300 C CA . PHE C 150 ? 0.1246 0.1068 0.1068 0.0055 0.0002 -0.0023 150 PHE C CA 9301 C C . PHE C 150 ? 0.1265 0.1089 0.1085 0.0053 0.0007 -0.0027 150 PHE C C 9302 O O . PHE C 150 ? 0.1358 0.1188 0.1168 0.0055 0.0007 -0.0028 150 PHE C O 9303 C CB . PHE C 150 ? 0.1188 0.1016 0.1010 0.0056 -0.0004 -0.0029 150 PHE C CB 9304 C CG . PHE C 150 ? 0.0986 0.0813 0.0815 0.0053 -0.0005 -0.0038 150 PHE C CG 9305 C CD1 . PHE C 150 ? 0.1221 0.1042 0.1061 0.0052 -0.0006 -0.0039 150 PHE C CD1 9306 C CD2 . PHE C 150 ? 0.1054 0.0884 0.0879 0.0053 -0.0004 -0.0045 150 PHE C CD2 9307 C CE1 . PHE C 150 ? 0.1188 0.1008 0.1034 0.0049 -0.0007 -0.0046 150 PHE C CE1 9308 C CE2 . PHE C 150 ? 0.1305 0.1132 0.1137 0.0051 -0.0005 -0.0052 150 PHE C CE2 9309 C CZ . PHE C 150 ? 0.1072 0.0894 0.0915 0.0049 -0.0007 -0.0053 150 PHE C CZ 9319 N N . VAL C 151 ? 0.1019 0.0837 0.0847 0.0051 0.0010 -0.0029 151 VAL C N 9320 C CA . VAL C 151 ? 0.0945 0.0765 0.0773 0.0050 0.0014 -0.0033 151 VAL C CA 9321 C C . VAL C 151 ? 0.1096 0.0914 0.0932 0.0049 0.0012 -0.0041 151 VAL C C 9322 O O . VAL C 151 ? 0.1085 0.0899 0.0931 0.0047 0.0010 -0.0040 151 VAL C O 9323 C CB . VAL C 151 ? 0.1189 0.1005 0.1021 0.0048 0.0020 -0.0027 151 VAL C CB 9324 C CG1 . VAL C 151 ? 0.1198 0.1018 0.1030 0.0047 0.0024 -0.0031 151 VAL C CG1 9325 C CG2 . VAL C 151 ? 0.1602 0.1418 0.1427 0.0049 0.0022 -0.0018 151 VAL C CG2 9335 N N . GLY C 152 ? 0.1157 0.0979 0.0990 0.0049 0.0011 -0.0048 152 GLY C N 9336 C CA . GLY C 152 ? 0.1083 0.0903 0.0924 0.0048 0.0009 -0.0055 152 GLY C CA 9337 C C . GLY C 152 ? 0.1082 0.0906 0.0916 0.0050 0.0005 -0.0063 152 GLY C C 9338 O O . GLY C 152 ? 0.1183 0.1012 0.1007 0.0052 0.0006 -0.0063 152 GLY C O 9342 N N . GLU C 153 ? 0.0887 0.0709 0.0729 0.0049 0.0000 -0.0068 153 GLU C N 9343 C CA . GLU C 153 ? 0.0905 0.0730 0.0743 0.0049 -0.0004 -0.0076 153 GLU C CA 9344 C C . GLU C 153 ? 0.0966 0.0791 0.0805 0.0048 -0.0010 -0.0077 153 GLU C C 9345 O O . GLU C 153 ? 0.0911 0.0732 0.0759 0.0046 -0.0012 -0.0074 153 GLU C O 9346 C CB . GLU C 153 ? 0.1070 0.0890 0.0914 0.0049 -0.0002 -0.0083 153 GLU C CB 9347 C CG . GLU C 153 ? 0.1077 0.0898 0.0921 0.0050 0.0005 -0.0082 153 GLU C CG 9348 C CD . GLU C 153 ? 0.1238 0.1055 0.1089 0.0050 0.0006 -0.0088 153 GLU C CD 9349 O OE1 . GLU C 153 ? 0.1376 0.1192 0.1226 0.0050 0.0002 -0.0096 153 GLU C OE1 9350 O OE2 . GLU C 153 ? 0.1369 0.1185 0.1226 0.0050 0.0010 -0.0086 153 GLU C OE2 9357 N N . ILE C 154 ? 0.1079 0.0909 0.0910 0.0049 -0.0014 -0.0081 154 ILE C N 9358 C CA . ILE C 154 ? 0.0967 0.0798 0.0799 0.0048 -0.0021 -0.0083 154 ILE C CA 9359 C C . ILE C 154 ? 0.1017 0.0849 0.0846 0.0047 -0.0025 -0.0092 154 ILE C C 9360 O O . ILE C 154 ? 0.1213 0.1048 0.1032 0.0049 -0.0023 -0.0097 154 ILE C O 9361 C CB . ILE C 154 ? 0.1237 0.1075 0.1061 0.0049 -0.0023 -0.0076 154 ILE C CB 9362 C CG1 . ILE C 154 ? 0.1476 0.1311 0.1305 0.0050 -0.0020 -0.0067 154 ILE C CG1 9363 C CG2 . ILE C 154 ? 0.1612 0.1454 0.1437 0.0048 -0.0031 -0.0079 154 ILE C CG2 9364 C CD1 . ILE C 154 ? 0.2108 0.1949 0.1930 0.0052 -0.0021 -0.0059 154 ILE C CD1 9376 N N . GLY C 155 ? 0.1020 0.0850 0.0857 0.0044 -0.0030 -0.0096 155 GLY C N 9377 C CA . GLY C 155 ? 0.1340 0.1170 0.1174 0.0043 -0.0034 -0.0106 155 GLY C CA 9378 C C . GLY C 155 ? 0.1202 0.1033 0.1042 0.0040 -0.0041 -0.0107 155 GLY C C 9379 O O . GLY C 155 ? 0.1128 0.0960 0.0974 0.0039 -0.0043 -0.0100 155 GLY C O 9383 N N . ASP C 156 ? 0.1026 0.0856 0.0864 0.0038 -0.0046 -0.0116 156 ASP C N 9384 C CA . ASP C 156 ? 0.0956 0.0787 0.0801 0.0034 -0.0053 -0.0118 156 ASP C CA 9385 C C . ASP C 156 ? 0.0957 0.0797 0.0802 0.0033 -0.0057 -0.0111 156 ASP C C 9386 O O . ASP C 156 ? 0.1038 0.0878 0.0893 0.0031 -0.0060 -0.0107 156 ASP C O 9387 C CB . ASP C 156 ? 0.1122 0.0945 0.0982 0.0031 -0.0053 -0.0118 156 ASP C CB 9388 C CG . ASP C 156 ? 0.1869 0.1684 0.1731 0.0031 -0.0051 -0.0127 156 ASP C CG 9389 O OD1 . ASP C 156 ? 0.2646 0.2461 0.2499 0.0032 -0.0052 -0.0134 156 ASP C OD1 9390 O OD2 . ASP C 156 ? 0.1928 0.1736 0.1800 0.0029 -0.0050 -0.0125 156 ASP C OD2 9395 N N . LEU C 157 ? 0.0965 0.0813 0.0798 0.0036 -0.0057 -0.0109 157 LEU C N 9396 C CA . LEU C 157 ? 0.0951 0.0807 0.0783 0.0037 -0.0060 -0.0102 157 LEU C CA 9397 C C . LEU C 157 ? 0.0964 0.0828 0.0793 0.0034 -0.0068 -0.0107 157 LEU C C 9398 O O . LEU C 157 ? 0.1064 0.0930 0.0882 0.0034 -0.0070 -0.0114 157 LEU C O 9399 C CB . LEU C 157 ? 0.1021 0.0881 0.0842 0.0041 -0.0056 -0.0095 157 LEU C CB 9400 C CG . LEU C 157 ? 0.1012 0.0881 0.0833 0.0043 -0.0058 -0.0086 157 LEU C CG 9401 C CD1 . LEU C 157 ? 0.1330 0.1198 0.1148 0.0047 -0.0052 -0.0077 157 LEU C CD1 9402 C CD2 . LEU C 157 ? 0.1420 0.1299 0.1231 0.0043 -0.0064 -0.0088 157 LEU C CD2 9414 N N . TYR C 158 ? 0.0941 0.0809 0.0778 0.0032 -0.0073 -0.0103 158 TYR C N 9415 C CA . TYR C 158 ? 0.1124 0.1001 0.0961 0.0029 -0.0081 -0.0106 158 TYR C CA 9416 C C . TYR C 158 ? 0.1064 0.0950 0.0904 0.0030 -0.0084 -0.0097 158 TYR C C 9417 O O . TYR C 158 ? 0.1086 0.0970 0.0935 0.0031 -0.0080 -0.0090 158 TYR C O 9418 C CB . TYR C 158 ? 0.1271 0.1142 0.1119 0.0023 -0.0085 -0.0113 158 TYR C CB 9419 C CG . TYR C 158 ? 0.1191 0.1052 0.1036 0.0022 -0.0083 -0.0123 158 TYR C CG 9420 C CD1 . TYR C 158 ? 0.1447 0.1308 0.1284 0.0020 -0.0087 -0.0132 158 TYR C CD1 9421 C CD2 . TYR C 158 ? 0.1046 0.0896 0.0897 0.0023 -0.0077 -0.0122 158 TYR C CD2 9422 C CE1 . TYR C 158 ? 0.1379 0.1231 0.1214 0.0020 -0.0085 -0.0141 158 TYR C CE1 9423 C CE2 . TYR C 158 ? 0.1220 0.1061 0.1068 0.0023 -0.0075 -0.0130 158 TYR C CE2 9424 C CZ . TYR C 158 ? 0.1480 0.1322 0.1321 0.0021 -0.0079 -0.0140 158 TYR C CZ 9425 O OH . TYR C 158 ? 0.1706 0.1539 0.1546 0.0022 -0.0076 -0.0149 158 TYR C OH 9435 N N . MET C 159 ? 0.0990 0.0887 0.0824 0.0030 -0.0090 -0.0097 159 MET C N 9436 C CA . MET C 159 ? 0.0981 0.0889 0.0819 0.0031 -0.0093 -0.0089 159 MET C CA 9437 C C . MET C 159 ? 0.1131 0.1049 0.0970 0.0027 -0.0102 -0.0093 159 MET C C 9438 O O . MET C 159 ? 0.1220 0.1142 0.1050 0.0025 -0.0105 -0.0100 159 MET C O 9439 C CB . MET C 159 ? 0.1244 0.1157 0.1072 0.0037 -0.0090 -0.0081 159 MET C CB 9440 C CG . MET C 159 ? 0.0967 0.0889 0.0801 0.0040 -0.0092 -0.0071 159 MET C CG 9441 S SD . MET C 159 ? 0.1503 0.1428 0.1325 0.0047 -0.0087 -0.0062 159 MET C SD 9442 C CE . MET C 159 ? 0.1932 0.1867 0.1763 0.0051 -0.0090 -0.0051 159 MET C CE 9452 N N . TRP C 160 ? 0.1165 0.1088 0.1016 0.0025 -0.0105 -0.0089 160 TRP C N 9453 C CA . TRP C 160 ? 0.1345 0.1279 0.1201 0.0020 -0.0114 -0.0092 160 TRP C CA 9454 C C . TRP C 160 ? 0.1502 0.1450 0.1360 0.0024 -0.0116 -0.0082 160 TRP C C 9455 O O . TRP C 160 ? 0.1410 0.1357 0.1272 0.0028 -0.0112 -0.0073 160 TRP C O 9456 C CB . TRP C 160 ? 0.1129 0.1058 0.1000 0.0015 -0.0115 -0.0094 160 TRP C CB 9457 C CG . TRP C 160 ? 0.1220 0.1136 0.1093 0.0011 -0.0113 -0.0102 160 TRP C CG 9458 C CD1 . TRP C 160 ? 0.1409 0.1322 0.1282 0.0005 -0.0119 -0.0112 160 TRP C CD1 9459 C CD2 . TRP C 160 ? 0.0933 0.0834 0.0807 0.0013 -0.0106 -0.0102 160 TRP C CD2 9460 N NE1 . TRP C 160 ? 0.1388 0.1287 0.1264 0.0003 -0.0115 -0.0117 160 TRP C NE1 9461 C CE2 . TRP C 160 ? 0.1171 0.1063 0.1048 0.0008 -0.0107 -0.0112 160 TRP C CE2 9462 C CE3 . TRP C 160 ? 0.1105 0.1002 0.0980 0.0018 -0.0098 -0.0095 160 TRP C CE3 9463 C CZ2 . TRP C 160 ? 0.1191 0.1070 0.1071 0.0009 -0.0101 -0.0114 160 TRP C CZ2 9464 C CZ3 . TRP C 160 ? 0.1184 0.1069 0.1062 0.0018 -0.0093 -0.0098 160 TRP C CZ3 9465 C CH2 . TRP C 160 ? 0.1199 0.1074 0.1079 0.0014 -0.0094 -0.0107 160 TRP C CH2 9476 N N . ASP C 161 ? 0.1433 0.1394 0.1288 0.0021 -0.0124 -0.0084 161 ASP C N 9477 C CA . ASP C 161 ? 0.1348 0.1324 0.1206 0.0024 -0.0128 -0.0075 161 ASP C CA 9478 C C . ASP C 161 ? 0.1728 0.1711 0.1604 0.0021 -0.0131 -0.0072 161 ASP C C 9479 O O . ASP C 161 ? 0.1780 0.1778 0.1659 0.0020 -0.0137 -0.0068 161 ASP C O 9480 C CB . ASP C 161 ? 0.1752 0.1741 0.1600 0.0024 -0.0134 -0.0077 161 ASP C CB 9481 C CG . ASP C 161 ? 0.1874 0.1869 0.1725 0.0016 -0.0143 -0.0086 161 ASP C CG 9482 O OD1 . ASP C 161 ? 0.1883 0.1871 0.1744 0.0010 -0.0143 -0.0091 161 ASP C OD1 9483 O OD2 . ASP C 161 ? 0.3053 0.3062 0.2897 0.0015 -0.0149 -0.0086 161 ASP C OD2 9488 N N . SER C 162 ? 0.1359 0.1330 0.1244 0.0018 -0.0127 -0.0074 162 SER C N 9489 C CA . SER C 162 ? 0.1366 0.1342 0.1267 0.0015 -0.0129 -0.0071 162 SER C CA 9490 C C . SER C 162 ? 0.1365 0.1330 0.1274 0.0017 -0.0122 -0.0067 162 SER C C 9491 O O . SER C 162 ? 0.1288 0.1240 0.1190 0.0019 -0.0116 -0.0069 162 SER C O 9492 C CB . SER C 162 ? 0.1621 0.1599 0.1528 0.0006 -0.0136 -0.0079 162 SER C CB 9493 O OG . SER C 162 ? 0.1889 0.1851 0.1793 0.0002 -0.0133 -0.0087 162 SER C OG 9499 N N . VAL C 163 ? 0.1382 0.1352 0.1304 0.0015 -0.0122 -0.0063 163 VAL C N 9500 C CA . VAL C 163 ? 0.1233 0.1193 0.1163 0.0016 -0.0116 -0.0060 163 VAL C CA 9501 C C . VAL C 163 ? 0.1539 0.1490 0.1475 0.0009 -0.0117 -0.0067 163 VAL C C 9502 O O . VAL C 163 ? 0.1657 0.1617 0.1603 0.0003 -0.0122 -0.0068 163 VAL C O 9503 C CB . VAL C 163 ? 0.1273 0.1244 0.1215 0.0019 -0.0115 -0.0052 163 VAL C CB 9504 C CG1 . VAL C 163 ? 0.1519 0.1480 0.1468 0.0019 -0.0109 -0.0050 163 VAL C CG1 9505 C CG2 . VAL C 163 ? 0.1969 0.1947 0.1905 0.0027 -0.0114 -0.0045 163 VAL C CG2 9515 N N . LEU C 164 ? 0.1297 0.1234 0.1229 0.0009 -0.0112 -0.0071 164 LEU C N 9516 C CA . LEU C 164 ? 0.1691 0.1619 0.1630 0.0002 -0.0112 -0.0077 164 LEU C CA 9517 C C . LEU C 164 ? 0.1285 0.1214 0.1238 0.0000 -0.0111 -0.0072 164 LEU C C 9518 O O . LEU C 164 ? 0.1585 0.1514 0.1542 0.0005 -0.0106 -0.0066 164 LEU C O 9519 C CB . LEU C 164 ? 0.1298 0.1210 0.1230 0.0004 -0.0107 -0.0082 164 LEU C CB 9520 C CG . LEU C 164 ? 0.1794 0.1701 0.1711 0.0005 -0.0107 -0.0088 164 LEU C CG 9521 C CD1 . LEU C 164 ? 0.1877 0.1770 0.1791 0.0006 -0.0102 -0.0093 164 LEU C CD1 9522 C CD2 . LEU C 164 ? 0.2393 0.2306 0.2308 0.0000 -0.0115 -0.0095 164 LEU C CD2 9534 N N . PRO C 165 ? 0.1522 0.1452 0.1484 -0.0007 -0.0116 -0.0075 165 PRO C N 9535 C CA . PRO C 165 ? 0.1520 0.1451 0.1496 -0.0010 -0.0114 -0.0071 165 PRO C CA 9536 C C . PRO C 165 ? 0.1408 0.1323 0.1384 -0.0010 -0.0108 -0.0073 165 PRO C C 9537 O O . PRO C 165 ? 0.1398 0.1302 0.1365 -0.0009 -0.0106 -0.0079 165 PRO C O 9538 C CB . PRO C 165 ? 0.1822 0.1758 0.1807 -0.0019 -0.0121 -0.0074 165 PRO C CB 9539 C CG . PRO C 165 ? 0.1870 0.1798 0.1844 -0.0021 -0.0125 -0.0084 165 PRO C CG 9540 C CD . PRO C 165 ? 0.1481 0.1412 0.1442 -0.0014 -0.0123 -0.0083 165 PRO C CD 9548 N N . PRO C 166 ? 0.1269 0.1184 0.1255 -0.0011 -0.0104 -0.0068 166 PRO C N 9549 C CA . PRO C 166 ? 0.1334 0.1236 0.1321 -0.0010 -0.0098 -0.0068 166 PRO C CA 9550 C C . PRO C 166 ? 0.1392 0.1281 0.1377 -0.0014 -0.0100 -0.0076 166 PRO C C 9551 O O . PRO C 166 ? 0.1407 0.1285 0.1386 -0.0011 -0.0095 -0.0078 166 PRO C O 9552 C CB . PRO C 166 ? 0.1565 0.1472 0.1564 -0.0012 -0.0097 -0.0062 166 PRO C CB 9553 C CG . PRO C 166 ? 0.1704 0.1626 0.1705 -0.0009 -0.0099 -0.0057 166 PRO C CG 9554 C CD . PRO C 166 ? 0.1641 0.1570 0.1638 -0.0011 -0.0105 -0.0061 166 PRO C CD 9562 N N . GLU C 167 ? 0.1266 0.1155 0.1256 -0.0021 -0.0106 -0.0080 167 GLU C N 9563 C CA . GLU C 167 ? 0.1286 0.1161 0.1275 -0.0024 -0.0107 -0.0087 167 GLU C CA 9564 C C . GLU C 167 ? 0.1208 0.1077 0.1184 -0.0022 -0.0107 -0.0095 167 GLU C C 9565 O O . GLU C 167 ? 0.1408 0.1264 0.1380 -0.0022 -0.0105 -0.0100 167 GLU C O 9566 C CB . GLU C 167 ? 0.1333 0.1210 0.1333 -0.0033 -0.0113 -0.0089 167 GLU C CB 9567 C CG . GLU C 167 ? 0.1626 0.1508 0.1640 -0.0036 -0.0112 -0.0081 167 GLU C CG 9568 C CD . GLU C 167 ? 0.1889 0.1771 0.1914 -0.0046 -0.0118 -0.0082 167 GLU C CD 9569 O OE1 . GLU C 167 ? 0.2432 0.2326 0.2468 -0.0049 -0.0119 -0.0075 167 GLU C OE1 9570 O OE2 . GLU C 167 ? 0.1659 0.1531 0.1683 -0.0050 -0.0122 -0.0090 167 GLU C OE2 9577 N N . ASN C 168 ? 0.1307 0.1186 0.1274 -0.0019 -0.0109 -0.0094 168 ASN C N 9578 C CA . ASN C 168 ? 0.1193 0.1068 0.1146 -0.0015 -0.0109 -0.0101 168 ASN C CA 9579 C C . ASN C 168 ? 0.1240 0.1109 0.1185 -0.0008 -0.0101 -0.0098 168 ASN C C 9580 O O . ASN C 168 ? 0.1342 0.1202 0.1278 -0.0006 -0.0098 -0.0104 168 ASN C O 9581 C CB . ASN C 168 ? 0.1240 0.1127 0.1187 -0.0015 -0.0114 -0.0102 168 ASN C CB 9582 C CG . ASN C 168 ? 0.1480 0.1370 0.1433 -0.0023 -0.0122 -0.0107 168 ASN C CG 9583 O OD1 . ASN C 168 ? 0.1877 0.1757 0.1837 -0.0029 -0.0123 -0.0110 168 ASN C OD1 9584 N ND2 . ASN C 168 ? 0.1675 0.1576 0.1623 -0.0025 -0.0128 -0.0108 168 ASN C ND2 9591 N N . ILE C 169 ? 0.1271 0.1145 0.1221 -0.0004 -0.0097 -0.0090 169 ILE C N 9592 C CA A ILE C 169 ? 0.1210 0.1078 0.1155 0.0001 -0.0089 -0.0087 169 ILE C CA 9593 C CA B ILE C 169 ? 0.1127 0.0995 0.1072 0.0001 -0.0089 -0.0087 169 ILE C CA 9594 C C . ILE C 169 ? 0.1265 0.1120 0.1213 0.0000 -0.0086 -0.0090 169 ILE C C 9595 O O . ILE C 169 ? 0.1284 0.1131 0.1224 0.0003 -0.0082 -0.0093 169 ILE C O 9596 C CB A ILE C 169 ? 0.1199 0.1074 0.1150 0.0004 -0.0086 -0.0078 169 ILE C CB 9597 C CB B ILE C 169 ? 0.1204 0.1079 0.1154 0.0005 -0.0086 -0.0078 169 ILE C CB 9598 C CG1 A ILE C 169 ? 0.1577 0.1465 0.1524 0.0007 -0.0089 -0.0074 169 ILE C CG1 9599 C CG1 B ILE C 169 ? 0.1418 0.1305 0.1362 0.0008 -0.0089 -0.0075 169 ILE C CG1 9600 C CG2 A ILE C 169 ? 0.1200 0.1068 0.1148 0.0009 -0.0079 -0.0075 169 ILE C CG2 9601 C CG2 B ILE C 169 ? 0.1212 0.1079 0.1157 0.0010 -0.0079 -0.0075 169 ILE C CG2 9602 C CD1 A ILE C 169 ? 0.1332 0.1219 0.1266 0.0013 -0.0086 -0.0073 169 ILE C CD1 9603 C CD1 B ILE C 169 ? 0.1419 0.1314 0.1370 0.0010 -0.0088 -0.0067 169 ILE C CD1 9626 N N . LEU C 170 ? 0.1322 0.1175 0.1282 -0.0005 -0.0088 -0.0089 170 LEU C N 9627 C CA . LEU C 170 ? 0.1347 0.1189 0.1311 -0.0006 -0.0085 -0.0091 170 LEU C CA 9628 C C . LEU C 170 ? 0.1051 0.0883 0.1009 -0.0007 -0.0086 -0.0101 170 LEU C C 9629 O O . LEU C 170 ? 0.1278 0.1100 0.1232 -0.0005 -0.0082 -0.0103 170 LEU C O 9630 C CB A LEU C 170 ? 0.1700 0.1542 0.1677 -0.0011 -0.0086 -0.0088 170 LEU C CB 9631 C CB B LEU C 170 ? 0.1611 0.1453 0.1589 -0.0012 -0.0087 -0.0088 170 LEU C CB 9632 C CG A LEU C 170 ? 0.2070 0.1915 0.2054 -0.0009 -0.0081 -0.0080 170 LEU C CG 9633 C CG B LEU C 170 ? 0.2006 0.1857 0.1991 -0.0010 -0.0084 -0.0079 170 LEU C CG 9634 C CD1 A LEU C 170 ? 0.2357 0.2213 0.2338 -0.0005 -0.0079 -0.0075 170 LEU C CD1 9635 C CD1 B LEU C 170 ? 0.2176 0.2029 0.2174 -0.0016 -0.0087 -0.0076 170 LEU C CD1 9636 C CD2 A LEU C 170 ? 0.2150 0.1995 0.2146 -0.0014 -0.0083 -0.0077 170 LEU C CD2 9637 C CD2 B LEU C 170 ? 0.2261 0.2107 0.2243 -0.0005 -0.0077 -0.0076 170 LEU C CD2 9658 N N . SER C 171 ? 0.1190 0.1025 0.1145 -0.0010 -0.0092 -0.0106 171 SER C N 9659 C CA . SER C 171 ? 0.1333 0.1159 0.1280 -0.0011 -0.0094 -0.0116 171 SER C CA 9660 C C . SER C 171 ? 0.1219 0.1043 0.1153 -0.0004 -0.0089 -0.0118 171 SER C C 9661 O O . SER C 171 ? 0.1459 0.1274 0.1390 -0.0003 -0.0086 -0.0123 171 SER C O 9662 C CB . SER C 171 ? 0.1476 0.1306 0.1422 -0.0016 -0.0102 -0.0121 171 SER C CB 9663 O OG . SER C 171 ? 0.1653 0.1473 0.1600 -0.0019 -0.0104 -0.0131 171 SER C OG 9669 N N . ALA C 172 ? 0.1256 0.1090 0.1184 -0.0001 -0.0088 -0.0113 172 ALA C N 9670 C CA . ALA C 172 ? 0.1142 0.0975 0.1057 0.0005 -0.0083 -0.0113 172 ALA C CA 9671 C C . ALA C 172 ? 0.1315 0.1140 0.1233 0.0009 -0.0075 -0.0110 172 ALA C C 9672 O O . ALA C 172 ? 0.1488 0.1307 0.1400 0.0011 -0.0071 -0.0114 172 ALA C O 9673 C CB . ALA C 172 ? 0.1173 0.1018 0.1083 0.0008 -0.0083 -0.0107 172 ALA C CB 9679 N N . TYR C 173 ? 0.1255 0.1082 0.1183 0.0008 -0.0073 -0.0103 173 TYR C N 9680 C CA . TYR C 173 ? 0.1225 0.1046 0.1157 0.0010 -0.0067 -0.0100 173 TYR C CA 9681 C C . TYR C 173 ? 0.1464 0.1273 0.1398 0.0009 -0.0066 -0.0106 173 TYR C C 9682 O O . TYR C 173 ? 0.1615 0.1419 0.1546 0.0012 -0.0061 -0.0106 173 TYR C O 9683 C CB . TYR C 173 ? 0.1272 0.1096 0.1214 0.0009 -0.0066 -0.0092 173 TYR C CB 9684 C CG . TYR C 173 ? 0.1345 0.1163 0.1293 0.0010 -0.0061 -0.0089 173 TYR C CG 9685 C CD1 . TYR C 173 ? 0.1496 0.1311 0.1437 0.0014 -0.0055 -0.0087 173 TYR C CD1 9686 C CD2 . TYR C 173 ? 0.1752 0.1568 0.1711 0.0006 -0.0062 -0.0087 173 TYR C CD2 9687 C CE1 . TYR C 173 ? 0.1583 0.1394 0.1529 0.0015 -0.0050 -0.0085 173 TYR C CE1 9688 C CE2 . TYR C 173 ? 0.2237 0.2049 0.2201 0.0007 -0.0057 -0.0084 173 TYR C CE2 9689 C CZ . TYR C 173 ? 0.1911 0.1720 0.1868 0.0011 -0.0051 -0.0083 173 TYR C CZ 9690 O OH . TYR C 173 ? 0.2746 0.2552 0.2708 0.0012 -0.0047 -0.0080 173 TYR C OH 9700 N N . GLN C 174 ? 0.1391 0.1197 0.1331 0.0004 -0.0071 -0.0110 174 GLN C N 9701 C CA . GLN C 174 ? 0.1545 0.1341 0.1489 0.0003 -0.0071 -0.0116 174 GLN C CA 9702 C C . GLN C 174 ? 0.2067 0.1857 0.2000 0.0005 -0.0071 -0.0125 174 GLN C C 9703 O O . GLN C 174 ? 0.2370 0.2150 0.2305 0.0005 -0.0070 -0.0131 174 GLN C O 9704 C CB . GLN C 174 ? 0.1647 0.1440 0.1601 -0.0003 -0.0077 -0.0117 174 GLN C CB 9705 C CG . GLN C 174 ? 0.2188 0.1985 0.2154 -0.0006 -0.0076 -0.0109 174 GLN C CG 9706 C CD . GLN C 174 ? 0.3310 0.3111 0.3285 -0.0013 -0.0083 -0.0108 174 GLN C CD 9707 O OE1 . GLN C 174 ? 0.2896 0.2694 0.2869 -0.0016 -0.0088 -0.0115 174 GLN C OE1 9708 N NE2 . GLN C 174 ? 0.4268 0.4075 0.4253 -0.0015 -0.0083 -0.0100 174 GLN C NE2 9717 N N . GLY C 175 ? 0.1391 0.1188 0.1313 0.0007 -0.0071 -0.0127 175 GLY C N 9718 C CA . GLY C 175 ? 0.1584 0.1378 0.1494 0.0010 -0.0070 -0.0135 175 GLY C CA 9719 C C . GLY C 175 ? 0.1890 0.1684 0.1796 0.0007 -0.0077 -0.0143 175 GLY C C 9720 O O . GLY C 175 ? 0.1816 0.1606 0.1714 0.0008 -0.0077 -0.0152 175 GLY C O 9724 N N . THR C 176 ? 0.1460 0.1259 0.1373 0.0002 -0.0083 -0.0141 176 THR C N 9725 C CA . THR C 176 ? 0.1537 0.1337 0.1447 -0.0003 -0.0091 -0.0148 176 THR C CA 9726 C C . THR C 176 ? 0.1382 0.1197 0.1290 -0.0005 -0.0095 -0.0143 176 THR C C 9727 O O . THR C 176 ? 0.1436 0.1255 0.1352 -0.0010 -0.0101 -0.0142 176 THR C O 9728 C CB . THR C 176 ? 0.1743 0.1535 0.1665 -0.0009 -0.0095 -0.0151 176 THR C CB 9729 O OG1 . THR C 176 ? 0.1716 0.1512 0.1651 -0.0012 -0.0095 -0.0142 176 THR C OG1 9730 C CG2 . THR C 176 ? 0.1895 0.1673 0.1819 -0.0007 -0.0091 -0.0157 176 THR C CG2 9738 N N . PRO C 177 ? 0.1570 0.1393 0.1468 0.0000 -0.0093 -0.0140 177 PRO C N 9739 C CA . PRO C 177 ? 0.1428 0.1264 0.1323 0.0000 -0.0097 -0.0136 177 PRO C CA 9740 C C . PRO C 177 ? 0.1653 0.1494 0.1546 -0.0005 -0.0105 -0.0143 177 PRO C C 9741 O O . PRO C 177 ? 0.1772 0.1606 0.1657 -0.0006 -0.0107 -0.0153 177 PRO C O 9742 C CB . PRO C 177 ? 0.1954 0.1795 0.1836 0.0006 -0.0092 -0.0133 177 PRO C CB 9743 C CG . PRO C 177 ? 0.2140 0.1971 0.2015 0.0009 -0.0088 -0.0142 177 PRO C CG 9744 C CD . PRO C 177 ? 0.1946 0.1766 0.1833 0.0006 -0.0086 -0.0142 177 PRO C CD 9752 N N . LEU C 178 ? 0.1622 0.1474 0.1520 -0.0008 -0.0110 -0.0138 178 LEU C N 9753 C CA A LEU C 178 ? 0.1475 0.1335 0.1370 -0.0013 -0.0118 -0.0143 178 LEU C CA 9754 C CA B LEU C 178 ? 0.1484 0.1344 0.1379 -0.0013 -0.0118 -0.0143 178 LEU C CA 9755 C C . LEU C 178 ? 0.2038 0.1906 0.1918 -0.0009 -0.0119 -0.0145 178 LEU C C 9756 O O . LEU C 178 ? 0.1568 0.1438 0.1441 -0.0002 -0.0113 -0.0139 178 LEU C O 9757 C CB A LEU C 178 ? 0.1635 0.1505 0.1541 -0.0017 -0.0123 -0.0136 178 LEU C CB 9758 C CB B LEU C 178 ? 0.1521 0.1393 0.1427 -0.0017 -0.0123 -0.0135 178 LEU C CB 9759 C CG A LEU C 178 ? 0.1946 0.1809 0.1867 -0.0024 -0.0125 -0.0137 178 LEU C CG 9760 C CG B LEU C 178 ? 0.1622 0.1490 0.1544 -0.0023 -0.0125 -0.0134 178 LEU C CG 9761 C CD1 A LEU C 178 ? 0.0911 0.0767 0.0841 -0.0021 -0.0118 -0.0130 178 LEU C CD1 9762 C CD1 B LEU C 178 ? 0.3181 0.3064 0.3112 -0.0026 -0.0130 -0.0126 178 LEU C CD1 9763 C CD2 A LEU C 178 ? 0.2714 0.2590 0.2645 -0.0030 -0.0132 -0.0134 178 LEU C CD2 9764 C CD2 B LEU C 178 ? 0.1002 0.0861 0.0925 -0.0030 -0.0131 -0.0145 178 LEU C CD2 9787 N N . PRO C 179 ? 0.2037 0.1909 0.1910 -0.0012 -0.0125 -0.0153 179 PRO C N 9788 C CA . PRO C 179 ? 0.2162 0.2042 0.2018 -0.0008 -0.0126 -0.0155 179 PRO C CA 9789 C C . PRO C 179 ? 0.1340 0.1233 0.1194 -0.0004 -0.0125 -0.0144 179 PRO C C 9790 O O . PRO C 179 ? 0.1819 0.1722 0.1682 -0.0006 -0.0128 -0.0138 179 PRO C O 9791 C CB . PRO C 179 ? 0.2168 0.2053 0.2021 -0.0015 -0.0135 -0.0164 179 PRO C CB 9792 C CG . PRO C 179 ? 0.2324 0.2197 0.2189 -0.0021 -0.0137 -0.0170 179 PRO C CG 9793 C CD . PRO C 179 ? 0.2381 0.2251 0.2261 -0.0020 -0.0133 -0.0160 179 PRO C CD 9801 N N . ALA C 180 ? 0.1731 0.1626 0.1573 0.0003 -0.0119 -0.0142 180 ALA C N 9802 C CA . ALA C 180 ? 0.1209 0.1114 0.1047 0.0008 -0.0117 -0.0131 180 ALA C CA 9803 C C . ALA C 180 ? 0.1593 0.1508 0.1415 0.0010 -0.0120 -0.0133 180 ALA C C 9804 O O . ALA C 180 ? 0.2327 0.2239 0.2138 0.0011 -0.0119 -0.0141 180 ALA C O 9805 C CB . ALA C 180 ? 0.1489 0.1385 0.1326 0.0014 -0.0107 -0.0126 180 ALA C CB 9811 N N . ASN C 181 ? 0.1403 0.1332 0.1226 0.0012 -0.0123 -0.0125 181 ASN C N 9812 C CA . ASN C 181 ? 0.1503 0.1445 0.1312 0.0013 -0.0128 -0.0126 181 ASN C CA 9813 C C . ASN C 181 ? 0.1694 0.1643 0.1494 0.0020 -0.0124 -0.0116 181 ASN C C 9814 O O . ASN C 181 ? 0.2083 0.2044 0.1872 0.0021 -0.0128 -0.0117 181 ASN C O 9815 C CB . ASN C 181 ? 0.1526 0.1481 0.1341 0.0008 -0.0137 -0.0126 181 ASN C CB 9816 C CG . ASN C 181 ? 0.2049 0.2010 0.1878 0.0009 -0.0138 -0.0114 181 ASN C CG 9817 O OD1 . ASN C 181 ? 0.1740 0.1696 0.1574 0.0014 -0.0131 -0.0107 181 ASN C OD1 9818 N ND2 . ASN C 181 ? 0.2175 0.2149 0.2011 0.0005 -0.0145 -0.0114 181 ASN C ND2 9825 N N . ILE C 182 ? 0.1301 0.1244 0.1105 0.0025 -0.0117 -0.0108 182 ILE C N 9826 C CA . ILE C 182 ? 0.1376 0.1323 0.1171 0.0031 -0.0112 -0.0099 182 ILE C CA 9827 C C . ILE C 182 ? 0.1208 0.1145 0.0994 0.0034 -0.0104 -0.0102 182 ILE C C 9828 O O . ILE C 182 ? 0.1462 0.1403 0.1234 0.0037 -0.0103 -0.0102 182 ILE C O 9829 C CB . ILE C 182 ? 0.1330 0.1279 0.1135 0.0035 -0.0109 -0.0086 182 ILE C CB 9830 C CG1 . ILE C 182 ? 0.1571 0.1532 0.1384 0.0033 -0.0117 -0.0083 182 ILE C CG1 9831 C CG2 . ILE C 182 ? 0.1730 0.1681 0.1525 0.0042 -0.0104 -0.0077 182 ILE C CG2 9832 C CD1 . ILE C 182 ? 0.1755 0.1718 0.1579 0.0037 -0.0114 -0.0071 182 ILE C CD1 9844 N N . LEU C 183 ? 0.1092 0.1016 0.0887 0.0033 -0.0099 -0.0104 183 LEU C N 9845 C CA . LEU C 183 ? 0.0980 0.0893 0.0768 0.0036 -0.0092 -0.0107 183 LEU C CA 9846 C C . LEU C 183 ? 0.1014 0.0916 0.0811 0.0031 -0.0091 -0.0117 183 LEU C C 9847 O O . LEU C 183 ? 0.1064 0.0963 0.0874 0.0028 -0.0093 -0.0116 183 LEU C O 9848 C CB . LEU C 183 ? 0.1288 0.1196 0.1079 0.0040 -0.0084 -0.0097 183 LEU C CB 9849 C CG . LEU C 183 ? 0.1220 0.1137 0.1004 0.0045 -0.0083 -0.0087 183 LEU C CG 9850 C CD1 . LEU C 183 ? 0.1291 0.1201 0.1080 0.0048 -0.0076 -0.0077 183 LEU C CD1 9851 C CD2 . LEU C 183 ? 0.1509 0.1431 0.1276 0.0047 -0.0081 -0.0090 183 LEU C CD2 9863 N N . ASP C 184 ? 0.1314 0.1211 0.1103 0.0031 -0.0089 -0.0126 184 ASP C N 9864 C CA . ASP C 184 ? 0.1153 0.1038 0.0948 0.0028 -0.0089 -0.0136 184 ASP C CA 9865 C C . ASP C 184 ? 0.1275 0.1152 0.1064 0.0031 -0.0082 -0.0140 184 ASP C C 9866 O O . ASP C 184 ? 0.1332 0.1213 0.1107 0.0033 -0.0081 -0.0144 184 ASP C O 9867 C CB . ASP C 184 ? 0.1621 0.1511 0.1411 0.0023 -0.0097 -0.0146 184 ASP C CB 9868 C CG . ASP C 184 ? 0.1946 0.1824 0.1743 0.0019 -0.0099 -0.0157 184 ASP C CG 9869 O OD1 . ASP C 184 ? 0.1601 0.1467 0.1404 0.0020 -0.0094 -0.0158 184 ASP C OD1 9870 O OD2 . ASP C 184 ? 0.2599 0.2480 0.2394 0.0015 -0.0107 -0.0164 184 ASP C OD2 9875 N N . TRP C 185 ? 0.1203 0.1070 0.1002 0.0031 -0.0077 -0.0138 185 TRP C N 9876 C CA . TRP C 185 ? 0.1010 0.0870 0.0806 0.0035 -0.0069 -0.0140 185 TRP C CA 9877 C C . TRP C 185 ? 0.1264 0.1120 0.1053 0.0034 -0.0070 -0.0154 185 TRP C C 9878 O O . TRP C 185 ? 0.1206 0.1060 0.0987 0.0038 -0.0064 -0.0156 185 TRP C O 9879 C CB . TRP C 185 ? 0.1148 0.0997 0.0959 0.0034 -0.0065 -0.0137 185 TRP C CB 9880 C CG . TRP C 185 ? 0.1028 0.0871 0.0837 0.0038 -0.0057 -0.0135 185 TRP C CG 9881 C CD1 . TRP C 185 ? 0.1142 0.0977 0.0956 0.0038 -0.0053 -0.0140 185 TRP C CD1 9882 C CD2 . TRP C 185 ? 0.1069 0.0917 0.0874 0.0041 -0.0051 -0.0126 185 TRP C CD2 9883 N NE1 . TRP C 185 ? 0.1265 0.1098 0.1076 0.0042 -0.0045 -0.0136 185 TRP C NE1 9884 C CE2 . TRP C 185 ? 0.1129 0.0971 0.0935 0.0044 -0.0044 -0.0127 185 TRP C CE2 9885 C CE3 . TRP C 185 ? 0.1120 0.0977 0.0919 0.0043 -0.0051 -0.0117 185 TRP C CE3 9886 C CZ2 . TRP C 185 ? 0.1191 0.1035 0.0993 0.0047 -0.0037 -0.0119 185 TRP C CZ2 9887 C CZ3 . TRP C 185 ? 0.1239 0.1097 0.1034 0.0047 -0.0045 -0.0109 185 TRP C CZ3 9888 C CH2 . TRP C 185 ? 0.1329 0.1180 0.1126 0.0048 -0.0038 -0.0111 185 TRP C CH2 9899 N N . GLN C 186 ? 0.1282 0.1135 0.1073 0.0030 -0.0077 -0.0162 186 GLN C N 9900 C CA . GLN C 186 ? 0.1398 0.1246 0.1183 0.0029 -0.0079 -0.0175 186 GLN C CA 9901 C C . GLN C 186 ? 0.1392 0.1252 0.1161 0.0030 -0.0082 -0.0180 186 GLN C C 9902 O O . GLN C 186 ? 0.1450 0.1306 0.1211 0.0030 -0.0083 -0.0192 186 GLN C O 9903 C CB . GLN C 186 ? 0.1653 0.1494 0.1450 0.0023 -0.0085 -0.0182 186 GLN C CB 9904 C CG . GLN C 186 ? 0.1804 0.1634 0.1616 0.0023 -0.0081 -0.0178 186 GLN C CG 9905 C CD . GLN C 186 ? 0.3048 0.2871 0.2872 0.0016 -0.0087 -0.0181 186 GLN C CD 9906 O OE1 . GLN C 186 ? 0.3785 0.3604 0.3608 0.0013 -0.0092 -0.0191 186 GLN C OE1 9907 N NE2 . GLN C 186 ? 0.2944 0.2767 0.2781 0.0015 -0.0087 -0.0171 186 GLN C NE2 9916 N N . ALA C 187 ? 0.1298 0.1170 0.1060 0.0031 -0.0083 -0.0172 187 ALA C N 9917 C CA . ALA C 187 ? 0.1375 0.1258 0.1120 0.0033 -0.0086 -0.0175 187 ALA C CA 9918 C C . ALA C 187 ? 0.1411 0.1306 0.1152 0.0036 -0.0084 -0.0161 187 ALA C C 9919 O O . ALA C 187 ? 0.1520 0.1425 0.1260 0.0035 -0.0089 -0.0156 187 ALA C O 9920 C CB . ALA C 187 ? 0.1506 0.1395 0.1250 0.0027 -0.0096 -0.0183 187 ALA C CB 9926 N N . LEU C 188 ? 0.1379 0.1271 0.1118 0.0040 -0.0075 -0.0155 188 LEU C N 9927 C CA . LEU C 188 ? 0.1419 0.1317 0.1157 0.0044 -0.0072 -0.0141 188 LEU C CA 9928 C C . LEU C 188 ? 0.1121 0.1030 0.0843 0.0048 -0.0069 -0.0140 188 LEU C C 9929 O O . LEU C 188 ? 0.1441 0.1348 0.1155 0.0050 -0.0064 -0.0146 188 LEU C O 9930 C CB . LEU C 188 ? 0.1275 0.1164 0.1025 0.0045 -0.0064 -0.0135 188 LEU C CB 9931 C CG . LEU C 188 ? 0.1245 0.1137 0.0996 0.0048 -0.0061 -0.0121 188 LEU C CG 9932 C CD1 . LEU C 188 ? 0.1903 0.1797 0.1665 0.0045 -0.0068 -0.0116 188 LEU C CD1 9933 C CD2 . LEU C 188 ? 0.1304 0.1187 0.1064 0.0049 -0.0054 -0.0116 188 LEU C CD2 9945 N N . ASN C 189 ? 0.1393 0.1312 0.1109 0.0049 -0.0072 -0.0131 189 ASN C N 9946 C CA . ASN C 189 ? 0.1587 0.1517 0.1288 0.0053 -0.0069 -0.0126 189 ASN C CA 9947 C C . ASN C 189 ? 0.1453 0.1381 0.1158 0.0056 -0.0062 -0.0112 189 ASN C C 9948 O O . ASN C 189 ? 0.1414 0.1342 0.1127 0.0056 -0.0064 -0.0103 189 ASN C O 9949 C CB . ASN C 189 ? 0.1671 0.1614 0.1364 0.0052 -0.0077 -0.0124 189 ASN C CB 9950 C CG . ASN C 189 ? 0.3312 0.3267 0.2987 0.0055 -0.0076 -0.0123 189 ASN C CG 9951 O OD1 . ASN C 189 ? 0.3711 0.3665 0.3377 0.0057 -0.0069 -0.0126 189 ASN C OD1 9952 N ND2 . ASN C 189 ? 0.3140 0.3109 0.2809 0.0055 -0.0082 -0.0119 189 ASN C ND2 9959 N N . TYR C 190 ? 0.1570 0.1495 0.1269 0.0059 -0.0054 -0.0111 190 TYR C N 9960 C CA . TYR C 190 ? 0.1626 0.1548 0.1330 0.0061 -0.0048 -0.0099 190 TYR C CA 9961 C C . TYR C 190 ? 0.1624 0.1552 0.1314 0.0064 -0.0041 -0.0096 190 TYR C C 9962 O O . TYR C 190 ? 0.1737 0.1670 0.1416 0.0065 -0.0041 -0.0104 190 TYR C O 9963 C CB . TYR C 190 ? 0.1550 0.1459 0.1269 0.0060 -0.0043 -0.0101 190 TYR C CB 9964 C CG . TYR C 190 ? 0.1649 0.1552 0.1365 0.0060 -0.0039 -0.0111 190 TYR C CG 9965 C CD1 . TYR C 190 ? 0.1455 0.1359 0.1166 0.0063 -0.0031 -0.0109 190 TYR C CD1 9966 C CD2 . TYR C 190 ? 0.1790 0.1688 0.1509 0.0058 -0.0043 -0.0124 190 TYR C CD2 9967 C CE1 . TYR C 190 ? 0.1629 0.1529 0.1338 0.0064 -0.0027 -0.0119 190 TYR C CE1 9968 C CE2 . TYR C 190 ? 0.2221 0.2114 0.1938 0.0058 -0.0039 -0.0134 190 TYR C CE2 9969 C CZ . TYR C 190 ? 0.2436 0.2331 0.2148 0.0062 -0.0031 -0.0131 190 TYR C CZ 9970 O OH . TYR C 190 ? 0.3368 0.3259 0.3078 0.0063 -0.0027 -0.0141 190 TYR C OH 9980 N N . GLU C 191 ? 0.1524 0.1450 0.1217 0.0066 -0.0036 -0.0083 191 GLU C N 9981 C CA . GLU C 191 ? 0.1377 0.1309 0.1060 0.0069 -0.0029 -0.0078 191 GLU C CA 9982 C C . GLU C 191 ? 0.1502 0.1424 0.1195 0.0069 -0.0022 -0.0071 191 GLU C C 9983 O O . GLU C 191 ? 0.1674 0.1591 0.1377 0.0068 -0.0022 -0.0062 191 GLU C O 9984 C CB . GLU C 191 ? 0.1630 0.1572 0.1303 0.0071 -0.0031 -0.0066 191 GLU C CB 9985 C CG . GLU C 191 ? 0.2136 0.2090 0.1798 0.0071 -0.0038 -0.0071 191 GLU C CG 9986 C CD . GLU C 191 ? 0.3159 0.3123 0.2814 0.0073 -0.0041 -0.0058 191 GLU C CD 9987 O OE1 . GLU C 191 ? 0.2583 0.2543 0.2246 0.0074 -0.0039 -0.0046 191 GLU C OE1 9988 O OE2 . GLU C 191 ? 0.3239 0.3216 0.2882 0.0074 -0.0046 -0.0061 191 GLU C OE2 9995 N N . ILE C 192 ? 0.1633 0.1553 0.1325 0.0070 -0.0015 -0.0076 192 ILE C N 9996 C CA . ILE C 192 ? 0.1393 0.1306 0.1093 0.0069 -0.0008 -0.0069 192 ILE C CA 9997 C C . ILE C 192 ? 0.1457 0.1376 0.1148 0.0071 -0.0003 -0.0057 192 ILE C C 9998 O O . ILE C 192 ? 0.1640 0.1570 0.1318 0.0073 -0.0002 -0.0058 192 ILE C O 9999 C CB . ILE C 192 ? 0.1501 0.1409 0.1204 0.0069 -0.0003 -0.0078 192 ILE C CB 10000 C CG1 . ILE C 192 ? 0.2002 0.1900 0.1718 0.0067 -0.0007 -0.0087 192 ILE C CG1 10001 C CG2 . ILE C 192 ? 0.1682 0.1588 0.1390 0.0070 0.0005 -0.0071 192 ILE C CG2 10002 C CD1 . ILE C 192 ? 0.1877 0.1771 0.1596 0.0068 -0.0003 -0.0098 192 ILE C CD1 10014 N N . ARG C 193 ? 0.1572 0.1485 0.1271 0.0071 -0.0001 -0.0046 193 ARG C N 10015 C CA . ARG C 193 ? 0.1420 0.1337 0.1113 0.0072 0.0004 -0.0034 193 ARG C CA 10016 C C . ARG C 193 ? 0.1626 0.1535 0.1329 0.0070 0.0011 -0.0029 193 ARG C C 10017 O O . ARG C 193 ? 0.1810 0.1708 0.1526 0.0068 0.0010 -0.0029 193 ARG C O 10018 C CB . ARG C 193 ? 0.1743 0.1662 0.1434 0.0073 0.0000 -0.0023 193 ARG C CB 10019 C CG . ARG C 193 ? 0.2071 0.2001 0.1752 0.0074 -0.0007 -0.0026 193 ARG C CG 10020 C CD . ARG C 193 ? 0.2117 0.2060 0.1782 0.0076 -0.0004 -0.0026 193 ARG C CD 10021 N NE . ARG C 193 ? 0.2653 0.2607 0.2306 0.0077 -0.0011 -0.0030 193 ARG C NE 10022 C CZ . ARG C 193 ? 0.2940 0.2900 0.2586 0.0077 -0.0014 -0.0043 193 ARG C CZ 10023 N NH1 . ARG C 193 ? 0.2269 0.2223 0.1919 0.0076 -0.0011 -0.0054 193 ARG C NH1 10024 N NH2 . ARG C 193 ? 0.2846 0.2817 0.2482 0.0078 -0.0021 -0.0045 193 ARG C NH2 10038 N N . GLY C 194 ? 0.2024 0.1937 0.1722 0.0071 0.0018 -0.0027 194 GLY C N 10039 C CA . GLY C 194 ? 0.1729 0.1635 0.1436 0.0069 0.0024 -0.0023 194 GLY C CA 10040 C C . GLY C 194 ? 0.1598 0.1500 0.1314 0.0068 0.0025 -0.0034 194 GLY C C 10041 O O . GLY C 194 ? 0.1957 0.1863 0.1668 0.0069 0.0024 -0.0045 194 GLY C O 10045 N N . TYR C 195 ? 0.1586 0.1478 0.1315 0.0066 0.0028 -0.0031 195 TYR C N 10046 C CA . TYR C 195 ? 0.1408 0.1295 0.1145 0.0065 0.0031 -0.0040 195 TYR C CA 10047 C C . TYR C 195 ? 0.1242 0.1121 0.0989 0.0064 0.0025 -0.0047 195 TYR C C 10048 O O . TYR C 195 ? 0.1441 0.1312 0.1200 0.0062 0.0024 -0.0044 195 TYR C O 10049 C CB . TYR C 195 ? 0.1519 0.1402 0.1265 0.0062 0.0037 -0.0033 195 TYR C CB 10050 C CG . TYR C 195 ? 0.1403 0.1284 0.1157 0.0062 0.0041 -0.0040 195 TYR C CG 10051 C CD1 . TYR C 195 ? 0.1572 0.1459 0.1323 0.0064 0.0042 -0.0051 195 TYR C CD1 10052 C CD2 . TYR C 195 ? 0.1513 0.1387 0.1280 0.0059 0.0044 -0.0036 195 TYR C CD2 10053 C CE1 . TYR C 195 ? 0.1592 0.1477 0.1351 0.0064 0.0045 -0.0056 195 TYR C CE1 10054 C CE2 . TYR C 195 ? 0.1444 0.1318 0.1219 0.0059 0.0047 -0.0042 195 TYR C CE2 10055 C CZ . TYR C 195 ? 0.1358 0.1237 0.1129 0.0062 0.0048 -0.0052 195 TYR C CZ 10056 O OH . TYR C 195 ? 0.1490 0.1368 0.1270 0.0062 0.0051 -0.0057 195 TYR C OH 10066 N N . VAL C 196 ? 0.1252 0.1135 0.0995 0.0065 0.0021 -0.0057 196 VAL C N 10067 C CA . VAL C 196 ? 0.1418 0.1293 0.1169 0.0064 0.0015 -0.0065 196 VAL C CA 10068 C C . VAL C 196 ? 0.1456 0.1333 0.1204 0.0066 0.0016 -0.0078 196 VAL C C 10069 O O . VAL C 196 ? 0.1676 0.1562 0.1412 0.0068 0.0016 -0.0082 196 VAL C O 10070 C CB . VAL C 196 ? 0.1320 0.1196 0.1067 0.0064 0.0007 -0.0065 196 VAL C CB 10071 C CG1 . VAL C 196 ? 0.1618 0.1487 0.1376 0.0062 0.0002 -0.0072 196 VAL C CG1 10072 C CG2 . VAL C 196 ? 0.1647 0.1523 0.1394 0.0064 0.0007 -0.0052 196 VAL C CG2 10082 N N . ILE C 197 ? 0.1263 0.1132 0.1022 0.0065 0.0016 -0.0083 197 ILE C N 10083 C CA . ILE C 197 ? 0.1155 0.1024 0.0914 0.0066 0.0017 -0.0095 197 ILE C CA 10084 C C . ILE C 197 ? 0.1392 0.1255 0.1159 0.0065 0.0011 -0.0103 197 ILE C C 10085 O O . ILE C 197 ? 0.1375 0.1230 0.1153 0.0062 0.0008 -0.0100 197 ILE C O 10086 C CB . ILE C 197 ? 0.1384 0.1251 0.1152 0.0067 0.0024 -0.0094 197 ILE C CB 10087 C CG1 . ILE C 197 ? 0.1303 0.1178 0.1065 0.0067 0.0031 -0.0085 197 ILE C CG1 10088 C CG2 . ILE C 197 ? 0.1508 0.1374 0.1276 0.0069 0.0025 -0.0106 197 ILE C CG2 10089 C CD1 . ILE C 197 ? 0.1515 0.1400 0.1262 0.0070 0.0034 -0.0088 197 ILE C CD1 10101 N N . ILE C 198 ? 0.1311 0.1175 0.1071 0.0066 0.0008 -0.0114 198 ILE C N 10102 C CA . ILE C 198 ? 0.1023 0.0879 0.0790 0.0065 0.0002 -0.0122 198 ILE C CA 10103 C C . ILE C 198 ? 0.1291 0.1141 0.1068 0.0066 0.0006 -0.0128 198 ILE C C 10104 O O . ILE C 198 ? 0.1559 0.1411 0.1330 0.0069 0.0011 -0.0133 198 ILE C O 10105 C CB . ILE C 198 ? 0.1260 0.1120 0.1017 0.0065 -0.0003 -0.0132 198 ILE C CB 10106 C CG1 . ILE C 198 ? 0.1471 0.1338 0.1219 0.0064 -0.0007 -0.0124 198 ILE C CG1 10107 C CG2 . ILE C 198 ? 0.1413 0.1264 0.1178 0.0063 -0.0009 -0.0141 198 ILE C CG2 10108 C CD1 . ILE C 198 ? 0.1750 0.1623 0.1486 0.0065 -0.0012 -0.0133 198 ILE C CD1 10120 N N . LYS C 199 ? 0.1169 0.1010 0.0959 0.0063 0.0004 -0.0128 199 LYS C N 10121 C CA . LYS C 199 ? 0.1106 0.0940 0.0906 0.0064 0.0006 -0.0133 199 LYS C CA 10122 C C . LYS C 199 ? 0.1267 0.1092 0.1077 0.0062 0.0000 -0.0138 199 LYS C C 10123 O O . LYS C 199 ? 0.1240 0.1064 0.1051 0.0058 -0.0006 -0.0136 199 LYS C O 10124 C CB . LYS C 199 ? 0.1298 0.1131 0.1108 0.0063 0.0011 -0.0124 199 LYS C CB 10125 C CG . LYS C 199 ? 0.1459 0.1299 0.1262 0.0066 0.0019 -0.0119 199 LYS C CG 10126 C CD . LYS C 199 ? 0.1997 0.1839 0.1800 0.0070 0.0023 -0.0127 199 LYS C CD 10127 C CE . LYS C 199 ? 0.2303 0.2155 0.2100 0.0072 0.0031 -0.0123 199 LYS C CE 10128 N NZ . LYS C 199 ? 0.3071 0.2925 0.2866 0.0077 0.0035 -0.0132 199 LYS C NZ 10142 N N . PRO C 200 ? 0.1159 0.0977 0.0976 0.0063 0.0001 -0.0145 200 PRO C N 10143 C CA . PRO C 200 ? 0.1130 0.0939 0.0957 0.0060 -0.0005 -0.0148 200 PRO C CA 10144 C C . PRO C 200 ? 0.1454 0.1261 0.1293 0.0056 -0.0006 -0.0138 200 PRO C C 10145 O O . PRO C 200 ? 0.1423 0.1233 0.1265 0.0057 -0.0001 -0.0130 200 PRO C O 10146 C CB . PRO C 200 ? 0.1670 0.1473 0.1505 0.0062 -0.0001 -0.0154 200 PRO C CB 10147 C CG . PRO C 200 ? 0.1936 0.1746 0.1760 0.0067 0.0004 -0.0159 200 PRO C CG 10148 C CD . PRO C 200 ? 0.1786 0.1605 0.1602 0.0067 0.0007 -0.0149 200 PRO C CD 10156 N N . LEU C 201 ? 0.1514 0.1316 0.1358 0.0053 -0.0012 -0.0139 201 LEU C N 10157 C CA . LEU C 201 ? 0.1339 0.1139 0.1194 0.0049 -0.0014 -0.0131 201 LEU C CA 10158 C C . LEU C 201 ? 0.1517 0.1309 0.1384 0.0049 -0.0012 -0.0132 201 LEU C C 10159 O O . LEU C 201 ? 0.2202 0.1988 0.2074 0.0049 -0.0015 -0.0140 201 LEU C O 10160 C CB . LEU C 201 ? 0.1535 0.1334 0.1393 0.0046 -0.0022 -0.0133 201 LEU C CB 10161 C CG . LEU C 201 ? 0.1814 0.1610 0.1684 0.0042 -0.0024 -0.0126 201 LEU C CG 10162 C CD1 . LEU C 201 ? 0.1597 0.1398 0.1467 0.0042 -0.0021 -0.0116 201 LEU C CD1 10163 C CD2 . LEU C 201 ? 0.2264 0.2059 0.2136 0.0038 -0.0032 -0.0129 201 LEU C CD2 10175 N N . VAL C 202 ? 0.1191 0.0985 0.1064 0.0050 -0.0007 -0.0125 202 VAL C N 10176 C CA . VAL C 202 ? 0.1373 0.1161 0.1257 0.0050 -0.0005 -0.0126 202 VAL C CA 10177 C C . VAL C 202 ? 0.1401 0.1187 0.1297 0.0047 -0.0007 -0.0119 202 VAL C C 10178 O O . VAL C 202 ? 0.1561 0.1344 0.1468 0.0047 -0.0006 -0.0118 202 VAL C O 10179 C CB . VAL C 202 ? 0.1311 0.1103 0.1195 0.0054 0.0002 -0.0124 202 VAL C CB 10180 C CG1 . VAL C 202 ? 0.1702 0.1497 0.1575 0.0058 0.0004 -0.0132 202 VAL C CG1 10181 C CG2 . VAL C 202 ? 0.1437 0.1235 0.1320 0.0053 0.0006 -0.0115 202 VAL C CG2 10191 N N . TRP C 203 ? 0.1285 0.1075 0.1180 0.0044 -0.0010 -0.0113 203 TRP C N 10192 C CA . TRP C 203 ? 0.1460 0.1249 0.1364 0.0041 -0.0011 -0.0106 203 TRP C CA 10193 C C . TRP C 203 ? 0.2096 0.1882 0.2006 0.0037 -0.0017 -0.0107 203 TRP C C 10194 O O . TRP C 203 ? 0.2972 0.2758 0.2889 0.0035 -0.0018 -0.0101 203 TRP C O 10195 C CB . TRP C 203 ? 0.1716 0.1510 0.1616 0.0041 -0.0008 -0.0099 203 TRP C CB 10196 C CG . TRP C 203 ? 0.1208 0.1007 0.1096 0.0042 -0.0008 -0.0098 203 TRP C CG 10197 C CD1 . TRP C 203 ? 0.1343 0.1145 0.1222 0.0045 -0.0004 -0.0099 203 TRP C CD1 10198 C CD2 . TRP C 203 ? 0.0997 0.0798 0.0882 0.0041 -0.0013 -0.0096 203 TRP C CD2 10199 N NE1 . TRP C 203 ? 0.1365 0.1172 0.1234 0.0045 -0.0007 -0.0098 203 TRP C NE1 10200 C CE2 . TRP C 203 ? 0.1023 0.0829 0.0896 0.0043 -0.0012 -0.0096 203 TRP C CE2 10201 C CE3 . TRP C 203 ? 0.1464 0.1264 0.1355 0.0038 -0.0018 -0.0094 203 TRP C CE3 10202 C CZ2 . TRP C 203 ? 0.1285 0.1094 0.1152 0.0042 -0.0015 -0.0093 203 TRP C CZ2 10203 C CZ3 . TRP C 203 ? 0.1350 0.1155 0.1236 0.0038 -0.0021 -0.0092 203 TRP C CZ3 10204 C CH2 . TRP C 203 ? 0.1184 0.0994 0.1059 0.0040 -0.0020 -0.0092 203 TRP C CH2 10215 N N . VAL C 204 ? 0.2298 0.2082 0.2204 0.0037 -0.0021 -0.0113 204 VAL C N 10216 C CA . VAL C 204 ? 0.4276 0.4057 0.4191 0.0033 -0.0027 -0.0114 204 VAL C CA 10217 C C . VAL C 204 ? 0.6630 0.6403 0.6553 0.0033 -0.0027 -0.0118 204 VAL C C 10218 O O . VAL C 204 ? 0.7083 0.6854 0.7017 0.0030 -0.0029 -0.0114 204 VAL C O 10219 C CB . VAL C 204 ? 0.4434 0.4217 0.4342 0.0031 -0.0033 -0.0118 204 VAL C CB 10220 C CG1 . VAL C 204 ? 0.5357 0.5137 0.5275 0.0027 -0.0039 -0.0120 204 VAL C CG1 10221 C CG2 . VAL C 204 ? 0.2886 0.2677 0.2789 0.0031 -0.0033 -0.0112 204 VAL C CG2 10222 O OXT . VAL C 204 ? 0.7159 0.6928 0.7079 0.0036 -0.0026 -0.0125 204 VAL C OXT 10232 N N . HIS D 1 ? 0.3831 0.3878 0.3932 0.0167 0.0136 -0.0083 1 HIS D N 10233 C CA . HIS D 1 ? 0.3806 0.3836 0.3900 0.0156 0.0129 -0.0081 1 HIS D CA 10234 C C . HIS D 1 ? 0.4097 0.4115 0.4201 0.0156 0.0122 -0.0078 1 HIS D C 10235 O O . HIS D 1 ? 0.3465 0.3486 0.3582 0.0165 0.0123 -0.0079 1 HIS D O 10236 C CB . HIS D 1 ? 0.2792 0.2804 0.2869 0.0157 0.0128 -0.0090 1 HIS D CB 10237 C CG . HIS D 1 ? 0.5888 0.5891 0.5965 0.0169 0.0129 -0.0101 1 HIS D CG 10238 N ND1 . HIS D 1 ? 0.6184 0.6171 0.6268 0.0173 0.0124 -0.0103 1 HIS D ND1 10239 C CD2 . HIS D 1 ? 0.7338 0.7346 0.7410 0.0178 0.0135 -0.0109 1 HIS D CD2 10240 C CE1 . HIS D 1 ? 0.6515 0.6495 0.6597 0.0184 0.0126 -0.0113 1 HIS D CE1 10241 N NE2 . HIS D 1 ? 0.7658 0.7650 0.7732 0.0187 0.0133 -0.0117 1 HIS D NE2 10251 N N . THR D 2 ? 0.2370 0.2376 0.2469 0.0147 0.0115 -0.0076 2 THR D N 10252 C CA . THR D 2 ? 0.2280 0.2280 0.2390 0.0144 0.0109 -0.0071 2 THR D CA 10253 C C . THR D 2 ? 0.1963 0.1939 0.2064 0.0141 0.0102 -0.0075 2 THR D C 10254 O O . THR D 2 ? 0.1947 0.1916 0.2035 0.0136 0.0101 -0.0077 2 THR D O 10255 C CB . THR D 2 ? 0.2556 0.2568 0.2670 0.0134 0.0107 -0.0060 2 THR D CB 10256 O OG1 . THR D 2 ? 0.3498 0.3532 0.3619 0.0136 0.0113 -0.0056 2 THR D OG1 10257 C CG2 . THR D 2 ? 0.2775 0.2782 0.2899 0.0130 0.0101 -0.0055 2 THR D CG2 10265 N N . ASP D 3 ? 0.1640 0.1606 0.1750 0.0145 0.0098 -0.0075 3 ASP D N 10266 C CA . ASP D 3 ? 0.1472 0.1417 0.1577 0.0142 0.0091 -0.0078 3 ASP D CA 10267 C C . ASP D 3 ? 0.1556 0.1501 0.1665 0.0132 0.0086 -0.0069 3 ASP D C 10268 O O . ASP D 3 ? 0.1664 0.1614 0.1786 0.0133 0.0083 -0.0063 3 ASP D O 10269 C CB . ASP D 3 ? 0.1643 0.1576 0.1756 0.0152 0.0090 -0.0083 3 ASP D CB 10270 C CG . ASP D 3 ? 0.2097 0.2008 0.2204 0.0149 0.0083 -0.0087 3 ASP D CG 10271 O OD1 . ASP D 3 ? 0.1640 0.1546 0.1739 0.0139 0.0079 -0.0084 3 ASP D OD1 10272 O OD2 . ASP D 3 ? 0.2285 0.2183 0.2396 0.0156 0.0082 -0.0092 3 ASP D OD2 10277 N N . LEU D 4 ? 0.1292 0.1232 0.1389 0.0123 0.0083 -0.0068 4 LEU D N 10278 C CA . LEU D 4 ? 0.1265 0.1205 0.1365 0.0114 0.0078 -0.0061 4 LEU D CA 10279 C C . LEU D 4 ? 0.1464 0.1386 0.1561 0.0111 0.0072 -0.0063 4 LEU D C 10280 O O . LEU D 4 ? 0.1261 0.1180 0.1356 0.0103 0.0067 -0.0058 4 LEU D O 10281 C CB . LEU D 4 ? 0.1415 0.1362 0.1505 0.0105 0.0080 -0.0058 4 LEU D CB 10282 C CG . LEU D 4 ? 0.1540 0.1508 0.1635 0.0105 0.0086 -0.0054 4 LEU D CG 10283 C CD1 . LEU D 4 ? 0.1610 0.1580 0.1693 0.0096 0.0087 -0.0052 4 LEU D CD1 10284 C CD2 . LEU D 4 ? 0.1734 0.1715 0.1843 0.0104 0.0085 -0.0047 4 LEU D CD2 10296 N N . SER D 5 ? 0.1530 0.1439 0.1628 0.0118 0.0071 -0.0069 5 SER D N 10297 C CA . SER D 5 ? 0.1366 0.1258 0.1462 0.0116 0.0064 -0.0070 5 SER D CA 10298 C C . SER D 5 ? 0.1081 0.0977 0.1188 0.0111 0.0060 -0.0061 5 SER D C 10299 O O . SER D 5 ? 0.1502 0.1407 0.1621 0.0114 0.0060 -0.0056 5 SER D O 10300 C CB . SER D 5 ? 0.1882 0.1762 0.1983 0.0125 0.0064 -0.0077 5 SER D CB 10301 O OG . SER D 5 ? 0.2150 0.2025 0.2241 0.0130 0.0067 -0.0086 5 SER D OG 10307 N N . GLY D 6 ? 0.1238 0.1126 0.1339 0.0103 0.0055 -0.0059 6 GLY D N 10308 C CA . GLY D 6 ? 0.1381 0.1270 0.1489 0.0098 0.0050 -0.0051 6 GLY D CA 10309 C C . GLY D 6 ? 0.1268 0.1174 0.1378 0.0092 0.0051 -0.0044 6 GLY D C 10310 O O . GLY D 6 ? 0.1430 0.1340 0.1547 0.0088 0.0048 -0.0037 6 GLY D O 10314 N N . LYS D 7 ? 0.1155 0.1070 0.1260 0.0091 0.0056 -0.0046 7 LYS D N 10315 C CA A LYS D 7 ? 0.1157 0.1087 0.1263 0.0085 0.0058 -0.0040 7 LYS D CA 10316 C CA B LYS D 7 ? 0.1180 0.1110 0.1286 0.0085 0.0058 -0.0040 7 LYS D CA 10317 C C . LYS D 7 ? 0.0827 0.0755 0.0920 0.0078 0.0059 -0.0041 7 LYS D C 10318 O O . LYS D 7 ? 0.1325 0.1245 0.1409 0.0080 0.0060 -0.0047 7 LYS D O 10319 C CB A LYS D 7 ? 0.1176 0.1121 0.1290 0.0091 0.0063 -0.0039 7 LYS D CB 10320 C CB B LYS D 7 ? 0.1215 0.1162 0.1330 0.0090 0.0063 -0.0038 7 LYS D CB 10321 C CG A LYS D 7 ? 0.1410 0.1357 0.1537 0.0099 0.0063 -0.0038 7 LYS D CG 10322 C CG B LYS D 7 ? 0.1508 0.1457 0.1637 0.0097 0.0062 -0.0035 7 LYS D CG 10323 C CD A LYS D 7 ? 0.2254 0.2217 0.2390 0.0105 0.0068 -0.0036 7 LYS D CD 10324 C CD B LYS D 7 ? 0.2159 0.2123 0.2296 0.0104 0.0067 -0.0035 7 LYS D CD 10325 C CE A LYS D 7 ? 0.2813 0.2777 0.2963 0.0113 0.0067 -0.0034 7 LYS D CE 10326 C CE B LYS D 7 ? 0.2873 0.2839 0.3024 0.0112 0.0066 -0.0032 7 LYS D CE 10327 N NZ A LYS D 7 ? 0.3470 0.3436 0.3627 0.0108 0.0061 -0.0026 7 LYS D NZ 10328 N NZ B LYS D 7 ? 0.3187 0.3170 0.3348 0.0119 0.0071 -0.0031 7 LYS D NZ 10355 N N . VAL D 8 ? 0.0968 0.0906 0.1062 0.0071 0.0059 -0.0036 8 VAL D N 10356 C CA . VAL D 8 ? 0.1088 0.1025 0.1171 0.0064 0.0060 -0.0036 8 VAL D CA 10357 C C . VAL D 8 ? 0.0941 0.0895 0.1028 0.0060 0.0064 -0.0032 8 VAL D C 10358 O O . VAL D 8 ? 0.1152 0.1119 0.1251 0.0061 0.0064 -0.0027 8 VAL D O 10359 C CB . VAL D 8 ? 0.1227 0.1157 0.1306 0.0056 0.0055 -0.0034 8 VAL D CB 10360 C CG1 . VAL D 8 ? 0.1329 0.1243 0.1403 0.0058 0.0051 -0.0038 8 VAL D CG1 10361 C CG2 . VAL D 8 ? 0.1231 0.1169 0.1320 0.0052 0.0052 -0.0027 8 VAL D CG2 10371 N N . PHE D 9 ? 0.0973 0.0928 0.1051 0.0057 0.0067 -0.0032 9 PHE D N 10372 C CA . PHE D 9 ? 0.0875 0.0844 0.0955 0.0050 0.0069 -0.0027 9 PHE D CA 10373 C C . PHE D 9 ? 0.0836 0.0800 0.0914 0.0041 0.0065 -0.0024 9 PHE D C 10374 O O . PHE D 9 ? 0.0974 0.0924 0.1042 0.0039 0.0062 -0.0027 9 PHE D O 10375 C CB . PHE D 9 ? 0.1201 0.1172 0.1272 0.0049 0.0075 -0.0029 9 PHE D CB 10376 C CG . PHE D 9 ? 0.0982 0.0960 0.1055 0.0057 0.0080 -0.0032 9 PHE D CG 10377 C CD1 . PHE D 9 ? 0.1288 0.1282 0.1373 0.0061 0.0083 -0.0029 9 PHE D CD1 10378 C CD2 . PHE D 9 ? 0.1199 0.1170 0.1261 0.0061 0.0083 -0.0037 9 PHE D CD2 10379 C CE1 . PHE D 9 ? 0.1319 0.1320 0.1405 0.0069 0.0088 -0.0032 9 PHE D CE1 10380 C CE2 . PHE D 9 ? 0.1331 0.1309 0.1393 0.0069 0.0088 -0.0040 9 PHE D CE2 10381 C CZ . PHE D 9 ? 0.1216 0.1208 0.1290 0.0073 0.0091 -0.0038 9 PHE D CZ 10391 N N . VAL D 10 ? 0.0891 0.0867 0.0977 0.0036 0.0064 -0.0019 10 VAL D N 10392 C CA . VAL D 10 ? 0.0823 0.0796 0.0907 0.0027 0.0060 -0.0016 10 VAL D CA 10393 C C . VAL D 10 ? 0.0804 0.0787 0.0887 0.0021 0.0063 -0.0013 10 VAL D C 10394 O O . VAL D 10 ? 0.0953 0.0951 0.1044 0.0020 0.0066 -0.0010 10 VAL D O 10395 C CB . VAL D 10 ? 0.1109 0.1089 0.1204 0.0026 0.0056 -0.0012 10 VAL D CB 10396 C CG1 . VAL D 10 ? 0.0989 0.0965 0.1079 0.0017 0.0052 -0.0011 10 VAL D CG1 10397 C CG2 . VAL D 10 ? 0.1195 0.1167 0.1293 0.0033 0.0053 -0.0014 10 VAL D CG2 10407 N N . PHE D 11 ? 0.0804 0.0777 0.0877 0.0015 0.0063 -0.0014 11 PHE D N 10408 C CA . PHE D 11 ? 0.0806 0.0784 0.0876 0.0007 0.0065 -0.0011 11 PHE D CA 10409 C C . PHE D 11 ? 0.1003 0.0980 0.1075 -0.0001 0.0060 -0.0009 11 PHE D C 10410 O O . PHE D 11 ? 0.0938 0.0902 0.1002 -0.0003 0.0057 -0.0011 11 PHE D O 10411 C CB . PHE D 11 ? 0.1000 0.0968 0.1059 0.0007 0.0067 -0.0013 11 PHE D CB 10412 C CG . PHE D 11 ? 0.0897 0.0867 0.0953 0.0014 0.0072 -0.0016 11 PHE D CG 10413 C CD1 . PHE D 11 ? 0.1079 0.1039 0.1131 0.0022 0.0070 -0.0021 11 PHE D CD1 10414 C CD2 . PHE D 11 ? 0.1117 0.1098 0.1174 0.0014 0.0077 -0.0014 11 PHE D CD2 10415 C CE1 . PHE D 11 ? 0.1275 0.1236 0.1324 0.0029 0.0074 -0.0024 11 PHE D CE1 10416 C CE2 . PHE D 11 ? 0.1270 0.1253 0.1324 0.0022 0.0082 -0.0017 11 PHE D CE2 10417 C CZ . PHE D 11 ? 0.1183 0.1155 0.1232 0.0029 0.0080 -0.0022 11 PHE D CZ 10427 N N . PRO D 12 ? 0.0921 0.0911 0.1003 -0.0004 0.0059 -0.0006 12 PRO D N 10428 C CA . PRO D 12 ? 0.0963 0.0951 0.1046 -0.0009 0.0053 -0.0005 12 PRO D CA 10429 C C . PRO D 12 ? 0.1046 0.1031 0.1125 -0.0019 0.0052 -0.0004 12 PRO D C 10430 O O . PRO D 12 ? 0.1033 0.1017 0.1112 -0.0023 0.0048 -0.0004 12 PRO D O 10431 C CB . PRO D 12 ? 0.1080 0.1085 0.1177 -0.0008 0.0052 -0.0001 12 PRO D CB 10432 C CG . PRO D 12 ? 0.1116 0.1130 0.1218 0.0000 0.0057 -0.0001 12 PRO D CG 10433 C CD . PRO D 12 ? 0.0963 0.0971 0.1056 -0.0001 0.0061 -0.0003 12 PRO D CD 10441 N N . ARG D 13 ? 0.1079 0.1064 0.1154 -0.0022 0.0056 -0.0004 13 ARG D N 10442 C CA . ARG D 13 ? 0.0968 0.0950 0.1039 -0.0032 0.0055 -0.0003 13 ARG D CA 10443 C C . ARG D 13 ? 0.1046 0.1020 0.1108 -0.0033 0.0059 -0.0003 13 ARG D C 10444 O O . ARG D 13 ? 0.1281 0.1257 0.1342 -0.0028 0.0063 -0.0003 13 ARG D O 10445 C CB . ARG D 13 ? 0.1095 0.1093 0.1175 -0.0038 0.0055 0.0001 13 ARG D CB 10446 C CG . ARG D 13 ? 0.1450 0.1460 0.1535 -0.0037 0.0061 0.0004 13 ARG D CG 10447 C CD . ARG D 13 ? 0.1898 0.1927 0.1993 -0.0044 0.0061 0.0008 13 ARG D CD 10448 N NE . ARG D 13 ? 0.1613 0.1652 0.1712 -0.0041 0.0067 0.0011 13 ARG D NE 10449 C CZ . ARG D 13 ? 0.2168 0.2225 0.2276 -0.0045 0.0069 0.0015 13 ARG D CZ 10450 N NH1 . ARG D 13 ? 0.2993 0.3059 0.3108 -0.0052 0.0065 0.0017 13 ARG D NH1 10451 N NH2 . ARG D 13 ? 0.2063 0.2131 0.2175 -0.0042 0.0075 0.0017 13 ARG D NH2 10465 N N . GLU D 14 ? 0.1159 0.1123 0.1215 -0.0040 0.0058 -0.0003 14 GLU D N 10466 C CA . GLU D 14 ? 0.1296 0.1253 0.1344 -0.0043 0.0061 -0.0002 14 GLU D CA 10467 C C . GLU D 14 ? 0.1192 0.1163 0.1248 -0.0048 0.0065 0.0002 14 GLU D C 10468 O O . GLU D 14 ? 0.1510 0.1492 0.1574 -0.0054 0.0063 0.0004 14 GLU D O 10469 C CB . GLU D 14 ? 0.1336 0.1278 0.1377 -0.0049 0.0059 -0.0004 14 GLU D CB 10470 C CG . GLU D 14 ? 0.1258 0.1192 0.1292 -0.0052 0.0062 -0.0002 14 GLU D CG 10471 C CD . GLU D 14 ? 0.1974 0.1891 0.2000 -0.0056 0.0059 -0.0004 14 GLU D CD 10472 O OE1 . GLU D 14 ? 0.3308 0.3223 0.3335 -0.0064 0.0058 -0.0003 14 GLU D OE1 10473 O OE2 . GLU D 14 ? 0.1998 0.1903 0.2017 -0.0051 0.0057 -0.0008 14 GLU D OE2 10480 N N . SER D 15 ? 0.1176 0.1148 0.1228 -0.0046 0.0070 0.0004 15 SER D N 10481 C CA . SER D 15 ? 0.1162 0.1148 0.1219 -0.0050 0.0074 0.0009 15 SER D CA 10482 C C . SER D 15 ? 0.1182 0.1164 0.1232 -0.0048 0.0079 0.0010 15 SER D C 10483 O O . SER D 15 ? 0.1320 0.1290 0.1361 -0.0042 0.0079 0.0008 15 SER D O 10484 C CB . SER D 15 ? 0.1424 0.1429 0.1492 -0.0045 0.0076 0.0010 15 SER D CB 10485 O OG . SER D 15 ? 0.1266 0.1272 0.1332 -0.0035 0.0079 0.0008 15 SER D OG 10491 N N . VAL D 16 ? 0.1298 0.1291 0.1352 -0.0053 0.0083 0.0015 16 VAL D N 10492 C CA . VAL D 16 ? 0.1485 0.1479 0.1533 -0.0051 0.0089 0.0018 16 VAL D CA 10493 C C . VAL D 16 ? 0.1518 0.1531 0.1573 -0.0044 0.0093 0.0019 16 VAL D C 10494 O O . VAL D 16 ? 0.2290 0.2307 0.2341 -0.0042 0.0098 0.0021 16 VAL D O 10495 C CB . VAL D 16 ? 0.1666 0.1658 0.1713 -0.0061 0.0090 0.0023 16 VAL D CB 10496 C CG1 . VAL D 16 ? 0.1674 0.1685 0.1732 -0.0068 0.0092 0.0028 16 VAL D CG1 10497 C CG2 . VAL D 16 ? 0.2479 0.2465 0.2516 -0.0059 0.0095 0.0025 16 VAL D CG2 10507 N N . THR D 17 ? 0.1401 0.1425 0.1466 -0.0041 0.0092 0.0018 17 THR D N 10508 C CA . THR D 17 ? 0.1652 0.1695 0.1725 -0.0036 0.0096 0.0019 17 THR D CA 10509 C C . THR D 17 ? 0.1478 0.1520 0.1551 -0.0024 0.0096 0.0014 17 THR D C 10510 O O . THR D 17 ? 0.1848 0.1902 0.1924 -0.0017 0.0100 0.0014 17 THR D O 10511 C CB . THR D 17 ? 0.2400 0.2460 0.2487 -0.0042 0.0095 0.0023 17 THR D CB 10512 O OG1 . THR D 17 ? 0.2876 0.2930 0.2965 -0.0043 0.0089 0.0020 17 THR D OG1 10513 C CG2 . THR D 17 ? 0.4001 0.4064 0.4088 -0.0053 0.0096 0.0028 17 THR D CG2 10521 N N . ASP D 18 ? 0.1411 0.1442 0.1483 -0.0022 0.0090 0.0010 18 ASP D N 10522 C CA . ASP D 18 ? 0.1339 0.1372 0.1415 -0.0012 0.0089 0.0006 18 ASP D CA 10523 C C . ASP D 18 ? 0.1145 0.1166 0.1210 -0.0004 0.0091 0.0002 18 ASP D C 10524 O O . ASP D 18 ? 0.1276 0.1281 0.1330 -0.0005 0.0089 0.0000 18 ASP D O 10525 C CB . ASP D 18 ? 0.1217 0.1241 0.1295 -0.0013 0.0082 0.0004 18 ASP D CB 10526 C CG . ASP D 18 ? 0.1458 0.1492 0.1545 -0.0021 0.0079 0.0008 18 ASP D CG 10527 O OD1 . ASP D 18 ? 0.1593 0.1644 0.1689 -0.0024 0.0082 0.0012 18 ASP D OD1 10528 O OD2 . ASP D 18 ? 0.1427 0.1452 0.1513 -0.0025 0.0074 0.0006 18 ASP D OD2 10533 N N . HIS D 19 ? 0.1178 0.1208 0.1246 0.0005 0.0095 0.0000 19 HIS D N 10534 C CA . HIS D 19 ? 0.1240 0.1260 0.1297 0.0013 0.0097 -0.0005 19 HIS D CA 10535 C C . HIS D 19 ? 0.1177 0.1205 0.1239 0.0023 0.0100 -0.0008 19 HIS D C 10536 O O . HIS D 19 ? 0.1293 0.1337 0.1368 0.0025 0.0101 -0.0006 19 HIS D O 10537 C CB . HIS D 19 ? 0.1066 0.1086 0.1114 0.0010 0.0101 -0.0003 19 HIS D CB 10538 C CG . HIS D 19 ? 0.1065 0.1104 0.1118 0.0009 0.0108 0.0001 19 HIS D CG 10539 N ND1 . HIS D 19 ? 0.1485 0.1537 0.1547 0.0001 0.0109 0.0007 19 HIS D ND1 10540 C CD2 . HIS D 19 ? 0.1250 0.1298 0.1300 0.0016 0.0114 0.0000 19 HIS D CD2 10541 C CE1 . HIS D 19 ? 0.1846 0.1914 0.1911 0.0003 0.0115 0.0010 19 HIS D CE1 10542 N NE2 . HIS D 19 ? 0.1803 0.1869 0.1861 0.0011 0.0118 0.0006 19 HIS D NE2 10550 N N . VAL D 20 ? 0.1093 0.1112 0.1147 0.0031 0.0100 -0.0014 20 VAL D N 10551 C CA . VAL D 20 ? 0.1050 0.1074 0.1106 0.0041 0.0104 -0.0018 20 VAL D CA 10552 C C . VAL D 20 ? 0.1151 0.1174 0.1196 0.0044 0.0109 -0.0021 20 VAL D C 10553 O O . VAL D 20 ? 0.1245 0.1255 0.1278 0.0042 0.0107 -0.0023 20 VAL D O 10554 C CB . VAL D 20 ? 0.1195 0.1206 0.1252 0.0047 0.0099 -0.0024 20 VAL D CB 10555 C CG1 . VAL D 20 ? 0.1777 0.1793 0.1836 0.0059 0.0102 -0.0029 20 VAL D CG1 10556 C CG2 . VAL D 20 ? 0.1266 0.1278 0.1334 0.0044 0.0094 -0.0021 20 VAL D CG2 10566 N N . ASN D 21 ? 0.1266 0.1306 0.1315 0.0050 0.0115 -0.0021 21 ASN D N 10567 C CA . ASN D 21 ? 0.1321 0.1361 0.1359 0.0054 0.0120 -0.0024 21 ASN D CA 10568 C C . ASN D 21 ? 0.1198 0.1232 0.1234 0.0065 0.0120 -0.0033 21 ASN D C 10569 O O . ASN D 21 ? 0.1432 0.1472 0.1479 0.0071 0.0120 -0.0034 21 ASN D O 10570 C CB . ASN D 21 ? 0.1436 0.1498 0.1479 0.0054 0.0127 -0.0020 21 ASN D CB 10571 C CG . ASN D 21 ? 0.1544 0.1612 0.1589 0.0043 0.0128 -0.0011 21 ASN D CG 10572 O OD1 . ASN D 21 ? 0.1746 0.1803 0.1783 0.0036 0.0125 -0.0009 21 ASN D OD1 10573 N ND2 . ASN D 21 ? 0.1882 0.1970 0.1939 0.0041 0.0132 -0.0006 21 ASN D ND2 10580 N N . LEU D 22 ? 0.1277 0.1299 0.1300 0.0068 0.0119 -0.0038 22 LEU D N 10581 C CA . LEU D 22 ? 0.1378 0.1393 0.1397 0.0078 0.0119 -0.0047 22 LEU D CA 10582 C C . LEU D 22 ? 0.1398 0.1424 0.1410 0.0084 0.0126 -0.0050 22 LEU D C 10583 O O . LEU D 22 ? 0.1647 0.1674 0.1649 0.0080 0.0129 -0.0048 22 LEU D O 10584 C CB . LEU D 22 ? 0.1444 0.1438 0.1453 0.0077 0.0113 -0.0052 22 LEU D CB 10585 C CG . LEU D 22 ? 0.1142 0.1126 0.1158 0.0072 0.0106 -0.0049 22 LEU D CG 10586 C CD1 . LEU D 22 ? 0.1610 0.1576 0.1616 0.0071 0.0101 -0.0054 22 LEU D CD1 10587 C CD2 . LEU D 22 ? 0.1569 0.1556 0.1599 0.0075 0.0104 -0.0049 22 LEU D CD2 10599 N N . ILE D 23 ? 0.1525 0.1557 0.1543 0.0093 0.0130 -0.0055 23 ILE D N 10600 C CA A ILE D 23 ? 0.1821 0.1867 0.1834 0.0100 0.0137 -0.0058 23 ILE D CA 10601 C CA B ILE D 23 ? 0.1833 0.1879 0.1846 0.0099 0.0137 -0.0058 23 ILE D CA 10602 C C . ILE D 23 ? 0.1768 0.1802 0.1770 0.0108 0.0137 -0.0068 23 ILE D C 10603 O O . ILE D 23 ? 0.2088 0.2113 0.2096 0.0114 0.0134 -0.0074 23 ILE D O 10604 C CB A ILE D 23 ? 0.1990 0.2054 0.2018 0.0105 0.0142 -0.0056 23 ILE D CB 10605 C CB B ILE D 23 ? 0.1853 0.1917 0.1880 0.0104 0.0142 -0.0055 23 ILE D CB 10606 C CG1 A ILE D 23 ? 0.2379 0.2454 0.2418 0.0097 0.0142 -0.0046 23 ILE D CG1 10607 C CG1 B ILE D 23 ? 0.2539 0.2615 0.2577 0.0095 0.0142 -0.0045 23 ILE D CG1 10608 C CG2 A ILE D 23 ? 0.2536 0.2614 0.2558 0.0112 0.0151 -0.0059 23 ILE D CG2 10609 C CG2 B ILE D 23 ? 0.2516 0.2596 0.2539 0.0111 0.0151 -0.0058 23 ILE D CG2 10610 C CD1 A ILE D 23 ? 0.2359 0.2441 0.2391 0.0087 0.0144 -0.0039 23 ILE D CD1 10611 C CD1 B ILE D 23 ? 0.2215 0.2308 0.2270 0.0099 0.0145 -0.0042 23 ILE D CD1 10634 N N . THR D 24 ? 0.2457 0.2492 0.2445 0.0108 0.0140 -0.0071 24 THR D N 10635 C CA . THR D 24 ? 0.3109 0.3135 0.3086 0.0116 0.0140 -0.0081 24 THR D CA 10636 C C . THR D 24 ? 0.3008 0.3050 0.2976 0.0119 0.0148 -0.0082 24 THR D C 10637 O O . THR D 24 ? 0.3837 0.3888 0.3801 0.0112 0.0151 -0.0074 24 THR D O 10638 C CB . THR D 24 ? 0.3505 0.3511 0.3470 0.0111 0.0133 -0.0084 24 THR D CB 10639 O OG1 . THR D 24 ? 0.3547 0.3544 0.3502 0.0119 0.0133 -0.0095 24 THR D OG1 10640 C CG2 . THR D 24 ? 0.3647 0.3656 0.3603 0.0103 0.0133 -0.0077 24 THR D CG2 10648 N N . PRO D 25 ? 0.3896 0.3941 0.3861 0.0129 0.0152 -0.0091 25 PRO D N 10649 C CA . PRO D 25 ? 0.5350 0.5410 0.5305 0.0134 0.0160 -0.0093 25 PRO D CA 10650 C C . PRO D 25 ? 0.5028 0.5079 0.4964 0.0132 0.0158 -0.0097 25 PRO D C 10651 O O . PRO D 25 ? 0.6769 0.6820 0.6695 0.0140 0.0160 -0.0107 25 PRO D O 10652 C CB . PRO D 25 ? 0.4625 0.4689 0.4584 0.0146 0.0163 -0.0103 25 PRO D CB 10653 C CG . PRO D 25 ? 0.4657 0.4698 0.4619 0.0148 0.0155 -0.0110 25 PRO D CG 10654 C CD . PRO D 25 ? 0.3960 0.3992 0.3929 0.0138 0.0149 -0.0101 25 PRO D CD 10662 N N . LEU D 26 ? 0.3253 0.3298 0.3184 0.0122 0.0154 -0.0090 26 LEU D N 10663 C CA . LEU D 26 ? 0.2817 0.2853 0.2730 0.0120 0.0151 -0.0093 26 LEU D CA 10664 C C . LEU D 26 ? 0.3974 0.4026 0.3877 0.0119 0.0158 -0.0088 26 LEU D C 10665 O O . LEU D 26 ? 0.3760 0.3820 0.3666 0.0111 0.0160 -0.0077 26 LEU D O 10666 C CB . LEU D 26 ? 0.4127 0.4147 0.4040 0.0111 0.0143 -0.0088 26 LEU D CB 10667 C CG . LEU D 26 ? 0.4711 0.4719 0.4608 0.0110 0.0139 -0.0092 26 LEU D CG 10668 C CD1 . LEU D 26 ? 0.4807 0.4806 0.4698 0.0119 0.0137 -0.0105 26 LEU D CD1 10669 C CD2 . LEU D 26 ? 0.5042 0.5034 0.4940 0.0102 0.0131 -0.0086 26 LEU D CD2 10681 N N . GLU D 27 ? 0.3001 0.3059 0.2893 0.0126 0.0162 -0.0096 27 GLU D N 10682 C CA . GLU D 27 ? 0.3025 0.3100 0.2907 0.0126 0.0169 -0.0092 27 GLU D CA 10683 C C . GLU D 27 ? 0.2833 0.2902 0.2695 0.0124 0.0167 -0.0093 27 GLU D C 10684 O O . GLU D 27 ? 0.4004 0.4086 0.3858 0.0121 0.0171 -0.0086 27 GLU D O 10685 C CB . GLU D 27 ? 0.3582 0.3672 0.3465 0.0137 0.0177 -0.0099 27 GLU D CB 10686 C CG . GLU D 27 ? 0.4908 0.5006 0.4810 0.0139 0.0180 -0.0097 27 GLU D CG 10687 C CD . GLU D 27 ? 0.7240 0.7354 0.7151 0.0131 0.0183 -0.0083 27 GLU D CD 10688 O OE1 . GLU D 27 ? 0.8190 0.8306 0.8118 0.0130 0.0183 -0.0079 27 GLU D OE1 10689 O OE2 . GLU D 27 ? 0.6837 0.6959 0.6739 0.0126 0.0186 -0.0076 27 GLU D OE2 10696 N N . LYS D 28 ? 0.2748 0.2799 0.2604 0.0126 0.0160 -0.0102 28 LYS D N 10697 C CA . LYS D 28 ? 0.2571 0.2617 0.2410 0.0124 0.0157 -0.0104 28 LYS D CA 10698 C C . LYS D 28 ? 0.2451 0.2481 0.2291 0.0115 0.0149 -0.0098 28 LYS D C 10699 O O . LYS D 28 ? 0.2906 0.2923 0.2757 0.0114 0.0144 -0.0098 28 LYS D O 10700 C CB . LYS D 28 ? 0.4010 0.4046 0.3841 0.0133 0.0154 -0.0120 28 LYS D CB 10701 C CG . LYS D 28 ? 0.6092 0.6125 0.5903 0.0132 0.0152 -0.0123 28 LYS D CG 10702 C CD . LYS D 28 ? 0.7890 0.7920 0.7692 0.0141 0.0152 -0.0139 28 LYS D CD 10703 C CE . LYS D 28 ? 0.8046 0.8054 0.7851 0.0141 0.0143 -0.0148 28 LYS D CE 10704 N NZ . LYS D 28 ? 0.7445 0.7442 0.7239 0.0136 0.0135 -0.0148 28 LYS D NZ 10718 N N . PRO D 29 ? 0.2139 0.2171 0.1967 0.0110 0.0149 -0.0090 29 PRO D N 10719 C CA . PRO D 29 ? 0.2278 0.2297 0.2106 0.0102 0.0141 -0.0084 29 PRO D CA 10720 C C . PRO D 29 ? 0.2211 0.2211 0.2038 0.0104 0.0133 -0.0094 29 PRO D C 10721 O O . PRO D 29 ? 0.2416 0.2415 0.2235 0.0111 0.0133 -0.0105 29 PRO D O 10722 C CB . PRO D 29 ? 0.2471 0.2496 0.2283 0.0100 0.0143 -0.0078 29 PRO D CB 10723 C CG . PRO D 29 ? 0.3213 0.3259 0.3023 0.0103 0.0153 -0.0076 29 PRO D CG 10724 C CD . PRO D 29 ? 0.2350 0.2399 0.2165 0.0111 0.0155 -0.0087 29 PRO D CD 10732 N N . LEU D 30 ? 0.1690 0.1677 0.1524 0.0098 0.0127 -0.0089 30 LEU D N 10733 C CA . LEU D 30 ? 0.1976 0.1946 0.1811 0.0099 0.0119 -0.0096 30 LEU D CA 10734 C C . LEU D 30 ? 0.1720 0.1681 0.1541 0.0096 0.0114 -0.0096 30 LEU D C 10735 O O . LEU D 30 ? 0.2029 0.1990 0.1848 0.0090 0.0113 -0.0086 30 LEU D O 10736 C CB . LEU D 30 ? 0.2442 0.2402 0.2292 0.0094 0.0115 -0.0091 30 LEU D CB 10737 C CG . LEU D 30 ? 0.2928 0.2891 0.2794 0.0097 0.0118 -0.0094 30 LEU D CG 10738 C CD1 . LEU D 30 ? 0.2848 0.2802 0.2726 0.0091 0.0113 -0.0088 30 LEU D CD1 10739 C CD2 . LEU D 30 ? 0.3297 0.3254 0.3162 0.0105 0.0116 -0.0107 30 LEU D CD2 10751 N N . GLN D 31 ? 0.1571 0.1526 0.1385 0.0100 0.0110 -0.0106 31 GLN D N 10752 C CA . GLN D 31 ? 0.1657 0.1605 0.1460 0.0098 0.0104 -0.0108 31 GLN D CA 10753 C C . GLN D 31 ? 0.1476 0.1407 0.1287 0.0095 0.0096 -0.0109 31 GLN D C 10754 O O . GLN D 31 ? 0.1689 0.1613 0.1496 0.0090 0.0091 -0.0105 31 GLN D O 10755 C CB . GLN D 31 ? 0.2097 0.2047 0.1885 0.0103 0.0104 -0.0119 31 GLN D CB 10756 C CG . GLN D 31 ? 0.4343 0.4310 0.4120 0.0107 0.0111 -0.0118 31 GLN D CG 10757 C CD . GLN D 31 ? 0.4735 0.4705 0.4499 0.0113 0.0111 -0.0130 31 GLN D CD 10758 O OE1 . GLN D 31 ? 0.4118 0.4077 0.3876 0.0113 0.0105 -0.0138 31 GLN D OE1 10759 N NE2 . GLN D 31 ? 0.5728 0.5712 0.5486 0.0118 0.0119 -0.0133 31 GLN D NE2 10768 N N . ASN D 32 ? 0.1411 0.1335 0.1232 0.0097 0.0095 -0.0116 32 ASN D N 10769 C CA . ASN D 32 ? 0.1218 0.1127 0.1048 0.0095 0.0088 -0.0118 32 ASN D CA 10770 C C . ASN D 32 ? 0.1388 0.1295 0.1234 0.0095 0.0089 -0.0116 32 ASN D C 10771 O O . ASN D 32 ? 0.1696 0.1611 0.1547 0.0100 0.0095 -0.0119 32 ASN D O 10772 C CB . ASN D 32 ? 0.1321 0.1221 0.1146 0.0100 0.0084 -0.0131 32 ASN D CB 10773 C CG . ASN D 32 ? 0.1751 0.1655 0.1559 0.0101 0.0083 -0.0136 32 ASN D CG 10774 O OD1 . ASN D 32 ? 0.1882 0.1787 0.1683 0.0097 0.0080 -0.0129 32 ASN D OD1 10775 N ND2 . ASN D 32 ? 0.2337 0.2244 0.2138 0.0107 0.0085 -0.0147 32 ASN D ND2 10780 N N . PHE D 33 ? 0.1196 0.1093 0.1052 0.0091 0.0084 -0.0112 33 PHE D N 10781 C CA . PHE D 33 ? 0.1187 0.1082 0.1058 0.0091 0.0084 -0.0111 33 PHE D CA 10782 C C . PHE D 33 ? 0.0965 0.0846 0.0843 0.0087 0.0077 -0.0110 33 PHE D C 10783 O O . PHE D 33 ? 0.1129 0.1005 0.1003 0.0082 0.0072 -0.0107 33 PHE D O 10784 C CB . PHE D 33 ? 0.1172 0.1078 0.1051 0.0088 0.0090 -0.0101 33 PHE D CB 10785 C CG . PHE D 33 ? 0.1198 0.1101 0.1078 0.0081 0.0087 -0.0091 33 PHE D CG 10786 C CD1 . PHE D 33 ? 0.1182 0.1077 0.1072 0.0076 0.0083 -0.0088 33 PHE D CD1 10787 C CD2 . PHE D 33 ? 0.1251 0.1160 0.1120 0.0078 0.0090 -0.0085 33 PHE D CD2 10788 C CE1 . PHE D 33 ? 0.1493 0.1386 0.1384 0.0070 0.0081 -0.0079 33 PHE D CE1 10789 C CE2 . PHE D 33 ? 0.1181 0.1086 0.1051 0.0071 0.0087 -0.0077 33 PHE D CE2 10790 C CZ . PHE D 33 ? 0.1441 0.1338 0.1322 0.0067 0.0083 -0.0074 33 PHE D CZ 10800 N N . THR D 34 ? 0.1125 0.1002 0.1016 0.0088 0.0076 -0.0112 34 THR D N 10801 C CA . THR D 34 ? 0.1063 0.0931 0.0964 0.0084 0.0070 -0.0109 34 THR D CA 10802 C C . THR D 34 ? 0.1139 0.1012 0.1054 0.0084 0.0073 -0.0103 34 THR D C 10803 O O . THR D 34 ? 0.1050 0.0930 0.0971 0.0089 0.0078 -0.0106 34 THR D O 10804 C CB . THR D 34 ? 0.0930 0.0786 0.0833 0.0087 0.0065 -0.0117 34 THR D CB 10805 O OG1 . THR D 34 ? 0.1287 0.1139 0.1177 0.0087 0.0062 -0.0123 34 THR D OG1 10806 C CG2 . THR D 34 ? 0.1214 0.1061 0.1126 0.0082 0.0059 -0.0113 34 THR D CG2 10814 N N . LEU D 35 ? 0.0916 0.0787 0.0838 0.0078 0.0071 -0.0096 35 LEU D N 10815 C CA . LEU D 35 ? 0.0829 0.0704 0.0763 0.0076 0.0073 -0.0090 35 LEU D CA 10816 C C . LEU D 35 ? 0.0982 0.0847 0.0924 0.0073 0.0066 -0.0089 35 LEU D C 10817 O O . LEU D 35 ? 0.1161 0.1020 0.1099 0.0068 0.0062 -0.0086 35 LEU D O 10818 C CB . LEU D 35 ? 0.1215 0.1100 0.1149 0.0071 0.0076 -0.0081 35 LEU D CB 10819 C CG . LEU D 35 ? 0.1329 0.1218 0.1275 0.0067 0.0077 -0.0075 35 LEU D CG 10820 C CD1 . LEU D 35 ? 0.1487 0.1387 0.1443 0.0072 0.0081 -0.0076 35 LEU D CD1 10821 C CD2 . LEU D 35 ? 0.1581 0.1476 0.1525 0.0061 0.0079 -0.0066 35 LEU D CD2 10833 N N . CYS D 36 ? 0.1077 0.0942 0.1031 0.0075 0.0066 -0.0090 36 CYS D N 10834 C CA . CYS D 36 ? 0.1188 0.1045 0.1151 0.0072 0.0060 -0.0088 36 CYS D CA 10835 C C . CYS D 36 ? 0.1088 0.0952 0.1063 0.0071 0.0062 -0.0082 36 CYS D C 10836 O O . CYS D 36 ? 0.1189 0.1062 0.1168 0.0075 0.0067 -0.0082 36 CYS D O 10837 C CB . CYS D 36 ? 0.2285 0.2131 0.2249 0.0076 0.0056 -0.0095 36 CYS D CB 10838 S SG . CYS D 36 ? 0.2019 0.1856 0.1970 0.0077 0.0053 -0.0103 36 CYS D SG 10843 N N . PHE D 37 ? 0.0963 0.0824 0.0944 0.0066 0.0058 -0.0077 37 PHE D N 10844 C CA . PHE D 37 ? 0.1003 0.0870 0.0995 0.0064 0.0059 -0.0072 37 PHE D CA 10845 C C . PHE D 37 ? 0.0991 0.0852 0.0988 0.0059 0.0053 -0.0068 37 PHE D C 10846 O O . PHE D 37 ? 0.1101 0.0954 0.1090 0.0056 0.0050 -0.0068 37 PHE D O 10847 C CB . PHE D 37 ? 0.0971 0.0851 0.0964 0.0061 0.0064 -0.0066 37 PHE D CB 10848 C CG . PHE D 37 ? 0.1077 0.0957 0.1062 0.0055 0.0064 -0.0062 37 PHE D CG 10849 C CD1 . PHE D 37 ? 0.1682 0.1561 0.1655 0.0056 0.0066 -0.0065 37 PHE D CD1 10850 C CD2 . PHE D 37 ? 0.1382 0.1260 0.1370 0.0049 0.0061 -0.0057 37 PHE D CD2 10851 C CE1 . PHE D 37 ? 0.1549 0.1427 0.1514 0.0051 0.0066 -0.0061 37 PHE D CE1 10852 C CE2 . PHE D 37 ? 0.1673 0.1548 0.1652 0.0044 0.0061 -0.0054 37 PHE D CE2 10853 C CZ . PHE D 37 ? 0.1503 0.1378 0.1472 0.0045 0.0063 -0.0056 37 PHE D CZ 10863 N N . ARG D 38 ? 0.0966 0.0832 0.0974 0.0058 0.0052 -0.0064 38 ARG D N 10864 C CA . ARG D 38 ? 0.1030 0.0891 0.1042 0.0053 0.0048 -0.0060 38 ARG D CA 10865 C C . ARG D 38 ? 0.0991 0.0862 0.1006 0.0047 0.0049 -0.0053 38 ARG D C 10866 O O . ARG D 38 ? 0.1164 0.1045 0.1184 0.0049 0.0053 -0.0052 38 ARG D O 10867 C CB . ARG D 38 ? 0.1898 0.1758 0.1921 0.0055 0.0045 -0.0059 38 ARG D CB 10868 C CG . ARG D 38 ? 0.3010 0.2860 0.3033 0.0058 0.0041 -0.0064 38 ARG D CG 10869 C CD . ARG D 38 ? 0.2311 0.2159 0.2346 0.0060 0.0039 -0.0062 38 ARG D CD 10870 N NE . ARG D 38 ? 0.1930 0.1770 0.1963 0.0066 0.0038 -0.0069 38 ARG D NE 10871 C CZ . ARG D 38 ? 0.1949 0.1777 0.1977 0.0066 0.0035 -0.0073 38 ARG D CZ 10872 N NH1 . ARG D 38 ? 0.1838 0.1662 0.1862 0.0060 0.0031 -0.0071 38 ARG D NH1 10873 N NH2 . ARG D 38 ? 0.3155 0.2977 0.3183 0.0071 0.0035 -0.0080 38 ARG D NH2 10887 N N . ALA D 39 ? 0.1040 0.0908 0.1053 0.0041 0.0047 -0.0050 39 ALA D N 10888 C CA . ALA D 39 ? 0.0991 0.0867 0.1007 0.0036 0.0048 -0.0045 39 ALA D CA 10889 C C . ALA D 39 ? 0.0971 0.0843 0.0990 0.0031 0.0043 -0.0042 39 ALA D C 10890 O O . ALA D 39 ? 0.1119 0.0983 0.1135 0.0031 0.0040 -0.0044 39 ALA D O 10891 C CB . ALA D 39 ? 0.1068 0.0944 0.1074 0.0033 0.0051 -0.0044 39 ALA D CB 10897 N N . TYR D 40 ? 0.0897 0.0778 0.0922 0.0027 0.0044 -0.0038 40 TYR D N 10898 C CA . TYR D 40 ? 0.0864 0.0744 0.0892 0.0022 0.0040 -0.0035 40 TYR D CA 10899 C C . TYR D 40 ? 0.0805 0.0691 0.0833 0.0016 0.0041 -0.0032 40 TYR D C 10900 O O . TYR D 40 ? 0.0939 0.0836 0.0974 0.0015 0.0043 -0.0029 40 TYR D O 10901 C CB . TYR D 40 ? 0.0779 0.0663 0.0817 0.0024 0.0037 -0.0034 40 TYR D CB 10902 C CG . TYR D 40 ? 0.0805 0.0687 0.0846 0.0020 0.0033 -0.0031 40 TYR D CG 10903 C CD1 . TYR D 40 ? 0.0839 0.0715 0.0873 0.0016 0.0031 -0.0032 40 TYR D CD1 10904 C CD2 . TYR D 40 ? 0.0892 0.0782 0.0943 0.0021 0.0031 -0.0028 40 TYR D CD2 10905 C CE1 . TYR D 40 ? 0.0872 0.0747 0.0908 0.0013 0.0027 -0.0030 40 TYR D CE1 10906 C CE2 . TYR D 40 ? 0.0928 0.0817 0.0981 0.0018 0.0027 -0.0026 40 TYR D CE2 10907 C CZ . TYR D 40 ? 0.0938 0.0820 0.0984 0.0014 0.0025 -0.0027 40 TYR D CZ 10908 O OH . TYR D 40 ? 0.1047 0.0931 0.1095 0.0010 0.0022 -0.0024 40 TYR D OH 10918 N N . SER D 41 ? 0.0791 0.0671 0.0812 0.0011 0.0040 -0.0032 41 SER D N 10919 C CA . SER D 41 ? 0.0808 0.0692 0.0828 0.0005 0.0042 -0.0029 41 SER D CA 10920 C C . SER D 41 ? 0.1077 0.0955 0.1094 0.0001 0.0038 -0.0029 41 SER D C 10921 O O . SER D 41 ? 0.1421 0.1289 0.1432 0.0003 0.0036 -0.0031 41 SER D O 10922 C CB . SER D 41 ? 0.0952 0.0835 0.0965 0.0005 0.0046 -0.0029 41 SER D CB 10923 O OG . SER D 41 ? 0.1039 0.0924 0.1051 -0.0002 0.0047 -0.0026 41 SER D OG 10929 N N . ASP D 42 ? 0.0802 0.0684 0.0821 -0.0005 0.0038 -0.0027 42 ASP D N 10930 C CA . ASP D 42 ? 0.0914 0.0790 0.0929 -0.0009 0.0035 -0.0027 42 ASP D CA 10931 C C . ASP D 42 ? 0.0963 0.0836 0.0973 -0.0014 0.0037 -0.0027 42 ASP D C 10932 O O . ASP D 42 ? 0.1315 0.1184 0.1323 -0.0019 0.0036 -0.0027 42 ASP D O 10933 C CB . ASP D 42 ? 0.0985 0.0866 0.1006 -0.0011 0.0032 -0.0026 42 ASP D CB 10934 C CG . ASP D 42 ? 0.1090 0.0983 0.1118 -0.0015 0.0032 -0.0024 42 ASP D CG 10935 O OD1 . ASP D 42 ? 0.1281 0.1178 0.1309 -0.0018 0.0035 -0.0022 42 ASP D OD1 10936 O OD2 . ASP D 42 ? 0.1083 0.0983 0.1117 -0.0016 0.0030 -0.0022 42 ASP D OD2 10941 N N . LEU D 43 ? 0.0930 0.0803 0.0937 -0.0013 0.0041 -0.0026 43 LEU D N 10942 C CA . LEU D 43 ? 0.0948 0.0816 0.0949 -0.0018 0.0043 -0.0025 43 LEU D CA 10943 C C . LEU D 43 ? 0.1138 0.0993 0.1130 -0.0016 0.0042 -0.0026 43 LEU D C 10944 O O . LEU D 43 ? 0.1320 0.1171 0.1309 -0.0010 0.0041 -0.0028 43 LEU D O 10945 C CB . LEU D 43 ? 0.1121 0.0994 0.1121 -0.0017 0.0048 -0.0023 43 LEU D CB 10946 C CG . LEU D 43 ? 0.1058 0.0944 0.1067 -0.0019 0.0050 -0.0020 43 LEU D CG 10947 C CD1 . LEU D 43 ? 0.1231 0.1122 0.1238 -0.0016 0.0055 -0.0019 43 LEU D CD1 10948 C CD2 . LEU D 43 ? 0.1253 0.1141 0.1264 -0.0027 0.0049 -0.0018 43 LEU D CD2 10960 N N . SER D 44 ? 0.1565 0.1414 0.1554 -0.0020 0.0041 -0.0026 44 SER D N 10961 C CA A SER D 44 ? 0.1564 0.1400 0.1544 -0.0019 0.0041 -0.0027 44 SER D CA 10962 C CA B SER D 44 ? 0.1441 0.1278 0.1421 -0.0019 0.0041 -0.0027 44 SER D CA 10963 C C . SER D 44 ? 0.1414 0.1247 0.1389 -0.0020 0.0044 -0.0025 44 SER D C 10964 O O . SER D 44 ? 0.1766 0.1590 0.1733 -0.0017 0.0044 -0.0025 44 SER D O 10965 C CB A SER D 44 ? 0.1821 0.1651 0.1800 -0.0022 0.0038 -0.0028 44 SER D CB 10966 C CB B SER D 44 ? 0.1861 0.1691 0.1840 -0.0021 0.0038 -0.0029 44 SER D CB 10967 O OG A SER D 44 ? 0.1749 0.1582 0.1731 -0.0021 0.0035 -0.0030 44 SER D OG 10968 O OG B SER D 44 ? 0.2227 0.2060 0.2209 -0.0028 0.0038 -0.0028 44 SER D OG 10979 N N . ARG D 45 ? 0.1358 0.1196 0.1335 -0.0024 0.0047 -0.0022 45 ARG D N 10980 C CA . ARG D 45 ? 0.1291 0.1127 0.1264 -0.0025 0.0051 -0.0019 45 ARG D CA 10981 C C . ARG D 45 ? 0.1447 0.1288 0.1418 -0.0020 0.0053 -0.0018 45 ARG D C 10982 O O . ARG D 45 ? 0.1507 0.1352 0.1481 -0.0015 0.0052 -0.0021 45 ARG D O 10983 C CB . ARG D 45 ? 0.1287 0.1129 0.1265 -0.0032 0.0053 -0.0016 45 ARG D CB 10984 C CG . ARG D 45 ? 0.1446 0.1303 0.1432 -0.0032 0.0054 -0.0015 45 ARG D CG 10985 C CD . ARG D 45 ? 0.1478 0.1342 0.1467 -0.0038 0.0058 -0.0011 45 ARG D CD 10986 N NE . ARG D 45 ? 0.1517 0.1396 0.1516 -0.0039 0.0058 -0.0010 45 ARG D NE 10987 C CZ . ARG D 45 ? 0.1249 0.1138 0.1251 -0.0034 0.0061 -0.0010 45 ARG D CZ 10988 N NH1 . ARG D 45 ? 0.1224 0.1110 0.1220 -0.0028 0.0063 -0.0010 45 ARG D NH1 10989 N NH2 . ARG D 45 ? 0.1374 0.1277 0.1386 -0.0035 0.0061 -0.0009 45 ARG D NH2 11003 N N . ALA D 46 ? 0.1437 0.1275 0.1402 -0.0020 0.0056 -0.0015 46 ALA D N 11004 C CA . ALA D 46 ? 0.1379 0.1222 0.1341 -0.0014 0.0059 -0.0015 46 ALA D CA 11005 C C . ALA D 46 ? 0.1421 0.1278 0.1390 -0.0015 0.0061 -0.0015 46 ALA D C 11006 O O . ALA D 46 ? 0.1472 0.1335 0.1448 -0.0020 0.0062 -0.0012 46 ALA D O 11007 C CB . ALA D 46 ? 0.1914 0.1753 0.1867 -0.0015 0.0061 -0.0011 46 ALA D CB 11013 N N . TYR D 47 ? 0.1163 0.1025 0.1131 -0.0009 0.0063 -0.0017 47 TYR D N 11014 C CA . TYR D 47 ? 0.1128 0.1003 0.1102 -0.0007 0.0066 -0.0016 47 TYR D CA 11015 C C . TYR D 47 ? 0.1231 0.1110 0.1201 0.0000 0.0069 -0.0018 47 TYR D C 11016 O O . TYR D 47 ? 0.1173 0.1045 0.1136 0.0004 0.0066 -0.0021 47 TYR D O 11017 C CB . TYR D 47 ? 0.1348 0.1229 0.1331 -0.0007 0.0064 -0.0018 47 TYR D CB 11018 C CG . TYR D 47 ? 0.1169 0.1044 0.1153 -0.0002 0.0059 -0.0023 47 TYR D CG 11019 C CD1 . TYR D 47 ? 0.1109 0.0985 0.1093 0.0004 0.0059 -0.0026 47 TYR D CD1 11020 C CD2 . TYR D 47 ? 0.1036 0.0902 0.1019 -0.0005 0.0055 -0.0023 47 TYR D CD2 11021 C CE1 . TYR D 47 ? 0.1146 0.1017 0.1130 0.0008 0.0055 -0.0030 47 TYR D CE1 11022 C CE2 . TYR D 47 ? 0.1183 0.1045 0.1167 -0.0002 0.0051 -0.0027 47 TYR D CE2 11023 C CZ . TYR D 47 ? 0.1158 0.1022 0.1143 0.0005 0.0051 -0.0030 47 TYR D CZ 11024 O OH . TYR D 47 ? 0.1356 0.1215 0.1342 0.0008 0.0047 -0.0033 47 TYR D OH 11034 N N . SER D 48 ? 0.1168 0.1058 0.1140 0.0000 0.0073 -0.0017 48 SER D N 11035 C CA . SER D 48 ? 0.0950 0.0846 0.0919 0.0007 0.0076 -0.0019 48 SER D CA 11036 C C . SER D 48 ? 0.1184 0.1083 0.1160 0.0013 0.0074 -0.0024 48 SER D C 11037 O O . SER D 48 ? 0.1216 0.1122 0.1201 0.0011 0.0074 -0.0023 48 SER D O 11038 C CB . SER D 48 ? 0.1164 0.1072 0.1134 0.0006 0.0082 -0.0015 48 SER D CB 11039 O OG . SER D 48 ? 0.1312 0.1226 0.1278 0.0013 0.0085 -0.0018 48 SER D OG 11045 N N . LEU D 49 ? 0.1018 0.0912 0.0988 0.0019 0.0073 -0.0029 49 LEU D N 11046 C CA . LEU D 49 ? 0.0983 0.0880 0.0959 0.0025 0.0072 -0.0034 49 LEU D CA 11047 C C . LEU D 49 ? 0.1091 0.0999 0.1068 0.0030 0.0077 -0.0036 49 LEU D C 11048 O O . LEU D 49 ? 0.1075 0.0989 0.1060 0.0034 0.0078 -0.0037 49 LEU D O 11049 C CB . LEU D 49 ? 0.1019 0.0904 0.0989 0.0028 0.0068 -0.0039 49 LEU D CB 11050 C CG . LEU D 49 ? 0.1316 0.1193 0.1289 0.0024 0.0062 -0.0038 49 LEU D CG 11051 C CD1 . LEU D 49 ? 0.1720 0.1586 0.1686 0.0027 0.0058 -0.0042 49 LEU D CD1 11052 C CD2 . LEU D 49 ? 0.1670 0.1551 0.1654 0.0025 0.0061 -0.0038 49 LEU D CD2 11064 N N . PHE D 50 ? 0.0989 0.0899 0.0956 0.0032 0.0081 -0.0035 50 PHE D N 11065 C CA . PHE D 50 ? 0.0828 0.0748 0.0794 0.0037 0.0086 -0.0038 50 PHE D CA 11066 C C . PHE D 50 ? 0.0821 0.0746 0.0779 0.0035 0.0090 -0.0033 50 PHE D C 11067 O O . PHE D 50 ? 0.1026 0.0943 0.0973 0.0034 0.0089 -0.0033 50 PHE D O 11068 C CB . PHE D 50 ? 0.0940 0.0853 0.0900 0.0045 0.0084 -0.0045 50 PHE D CB 11069 C CG . PHE D 50 ? 0.0901 0.0823 0.0859 0.0052 0.0089 -0.0050 50 PHE D CG 11070 C CD1 . PHE D 50 ? 0.1197 0.1124 0.1164 0.0057 0.0090 -0.0053 50 PHE D CD1 11071 C CD2 . PHE D 50 ? 0.1053 0.0978 0.1000 0.0053 0.0093 -0.0050 50 PHE D CD2 11072 C CE1 . PHE D 50 ? 0.1219 0.1154 0.1184 0.0064 0.0095 -0.0058 50 PHE D CE1 11073 C CE2 . PHE D 50 ? 0.1127 0.1060 0.1071 0.0060 0.0097 -0.0055 50 PHE D CE2 11074 C CZ . PHE D 50 ? 0.1188 0.1126 0.1141 0.0066 0.0098 -0.0059 50 PHE D CZ 11084 N N . SER D 51 ? 0.1023 0.0961 0.0986 0.0034 0.0096 -0.0029 51 SER D N 11085 C CA . SER D 51 ? 0.1130 0.1075 0.1086 0.0030 0.0100 -0.0024 51 SER D CA 11086 C C . SER D 51 ? 0.0929 0.0888 0.0883 0.0036 0.0106 -0.0025 51 SER D C 11087 O O . SER D 51 ? 0.1080 0.1049 0.1043 0.0038 0.0109 -0.0026 51 SER D O 11088 C CB . SER D 51 ? 0.1005 0.0954 0.0970 0.0022 0.0101 -0.0016 51 SER D CB 11089 O OG . SER D 51 ? 0.1099 0.1056 0.1060 0.0018 0.0106 -0.0010 51 SER D OG 11095 N N . TYR D 52 ? 0.0990 0.0947 0.0931 0.0038 0.0108 -0.0026 52 TYR D N 11096 C CA . TYR D 52 ? 0.1074 0.1044 0.1011 0.0044 0.0114 -0.0029 52 TYR D CA 11097 C C . TYR D 52 ? 0.0962 0.0937 0.0891 0.0040 0.0118 -0.0021 52 TYR D C 11098 O O . TYR D 52 ? 0.1055 0.1021 0.0973 0.0038 0.0116 -0.0020 52 TYR D O 11099 C CB . TYR D 52 ? 0.1115 0.1077 0.1045 0.0052 0.0112 -0.0038 52 TYR D CB 11100 C CG . TYR D 52 ? 0.1095 0.1066 0.1016 0.0059 0.0117 -0.0043 52 TYR D CG 11101 C CD1 . TYR D 52 ? 0.1245 0.1215 0.1167 0.0067 0.0116 -0.0052 52 TYR D CD1 11102 C CD2 . TYR D 52 ? 0.1235 0.1212 0.1144 0.0058 0.0121 -0.0039 52 TYR D CD2 11103 C CE1 . TYR D 52 ? 0.1352 0.1328 0.1265 0.0074 0.0120 -0.0058 52 TYR D CE1 11104 C CE2 . TYR D 52 ? 0.1311 0.1296 0.1211 0.0065 0.0125 -0.0045 52 TYR D CE2 11105 C CZ . TYR D 52 ? 0.1564 0.1548 0.1466 0.0073 0.0125 -0.0055 52 TYR D CZ 11106 O OH . TYR D 52 ? 0.1752 0.1743 0.1645 0.0080 0.0128 -0.0061 52 TYR D OH 11116 N N . ASN D 53 ? 0.1232 0.1222 0.1166 0.0038 0.0124 -0.0016 53 ASN D N 11117 C CA . ASN D 53 ? 0.1405 0.1402 0.1332 0.0033 0.0129 -0.0008 53 ASN D CA 11118 C C . ASN D 53 ? 0.1251 0.1267 0.1176 0.0039 0.0136 -0.0009 53 ASN D C 11119 O O . ASN D 53 ? 0.1358 0.1382 0.1290 0.0044 0.0138 -0.0014 53 ASN D O 11120 C CB . ASN D 53 ? 0.1366 0.1367 0.1303 0.0024 0.0129 0.0001 53 ASN D CB 11121 C CG . ASN D 53 ? 0.1203 0.1187 0.1138 0.0017 0.0124 0.0005 53 ASN D CG 11122 O OD1 . ASN D 53 ? 0.1250 0.1221 0.1180 0.0019 0.0119 0.0000 53 ASN D OD1 11123 N ND2 . ASN D 53 ? 0.1206 0.1192 0.1146 0.0008 0.0125 0.0013 53 ASN D ND2 11130 N N . THR D 54 ? 0.1315 0.1336 0.1229 0.0038 0.0140 -0.0005 54 THR D N 11131 C CA . THR D 54 ? 0.1387 0.1426 0.1298 0.0043 0.0147 -0.0005 54 THR D CA 11132 C C . THR D 54 ? 0.1467 0.1517 0.1379 0.0035 0.0152 0.0007 54 THR D C 11133 O O . THR D 54 ? 0.1581 0.1622 0.1494 0.0027 0.0149 0.0014 54 THR D O 11134 C CB . THR D 54 ? 0.1682 0.1719 0.1577 0.0051 0.0148 -0.0012 54 THR D CB 11135 O OG1 . THR D 54 ? 0.1874 0.1903 0.1758 0.0047 0.0146 -0.0007 54 THR D OG1 11136 C CG2 . THR D 54 ? 0.1429 0.1454 0.1325 0.0057 0.0142 -0.0024 54 THR D CG2 11144 N N . GLN D 55 ? 0.1595 0.1664 0.1505 0.0038 0.0160 0.0009 55 GLN D N 11145 C CA . GLN D 55 ? 0.1907 0.1989 0.1820 0.0031 0.0165 0.0020 55 GLN D CA 11146 C C . GLN D 55 ? 0.1530 0.1603 0.1431 0.0026 0.0163 0.0027 55 GLN D C 11147 O O . GLN D 55 ? 0.2050 0.2120 0.1936 0.0031 0.0164 0.0023 55 GLN D O 11148 C CB . GLN D 55 ? 0.2241 0.2345 0.2153 0.0036 0.0174 0.0020 55 GLN D CB 11149 C CG . GLN D 55 ? 0.3251 0.3372 0.3169 0.0029 0.0180 0.0032 55 GLN D CG 11150 C CD . GLN D 55 ? 0.2880 0.3004 0.2815 0.0022 0.0178 0.0035 55 GLN D CD 11151 O OE1 . GLN D 55 ? 0.5255 0.5393 0.5201 0.0027 0.0182 0.0032 55 GLN D OE1 11152 N NE2 . GLN D 55 ? 0.2862 0.2974 0.2801 0.0013 0.0174 0.0041 55 GLN D NE2 11161 N N . GLY D 56 ? 0.1865 0.1931 0.1771 0.0016 0.0161 0.0036 56 GLY D N 11162 C CA . GLY D 56 ? 0.1897 0.1951 0.1793 0.0010 0.0159 0.0043 56 GLY D CA 11163 C C . GLY D 56 ? 0.2000 0.2033 0.1888 0.0011 0.0152 0.0039 56 GLY D C 11164 O O . GLY D 56 ? 0.1980 0.2003 0.1860 0.0008 0.0150 0.0045 56 GLY D O 11168 N N . ARG D 57 ? 0.1599 0.1623 0.1491 0.0016 0.0147 0.0029 57 ARG D N 11169 C CA . ARG D 57 ? 0.1494 0.1500 0.1379 0.0019 0.0140 0.0024 57 ARG D CA 11170 C C . ARG D 57 ? 0.1184 0.1178 0.1080 0.0017 0.0134 0.0019 57 ARG D C 11171 O O . ARG D 57 ? 0.1645 0.1642 0.1548 0.0021 0.0134 0.0012 57 ARG D O 11172 C CB . ARG D 57 ? 0.1558 0.1566 0.1433 0.0028 0.0140 0.0014 57 ARG D CB 11173 C CG . ARG D 57 ? 0.1967 0.1987 0.1830 0.0031 0.0146 0.0017 57 ARG D CG 11174 C CD . ARG D 57 ? 0.2513 0.2532 0.2363 0.0040 0.0144 0.0008 57 ARG D CD 11175 N NE . ARG D 57 ? 0.2746 0.2748 0.2587 0.0040 0.0138 0.0006 57 ARG D NE 11176 C CZ . ARG D 57 ? 0.2983 0.2982 0.2814 0.0037 0.0137 0.0014 57 ARG D CZ 11177 N NH1 . ARG D 57 ? 0.3832 0.3843 0.3660 0.0033 0.0143 0.0024 57 ARG D NH1 11178 N NH2 . ARG D 57 ? 0.3157 0.3142 0.2982 0.0037 0.0130 0.0012 57 ARG D NH2 11192 N N . ASP D 58 ? 0.1243 0.1224 0.1141 0.0010 0.0130 0.0024 58 ASP D N 11193 C CA . ASP D 58 ? 0.1257 0.1224 0.1163 0.0008 0.0124 0.0021 58 ASP D CA 11194 C C . ASP D 58 ? 0.1109 0.1063 0.1008 0.0013 0.0118 0.0013 58 ASP D C 11195 O O . ASP D 58 ? 0.1387 0.1337 0.1275 0.0016 0.0117 0.0013 58 ASP D O 11196 C CB . ASP D 58 ? 0.1206 0.1164 0.1116 -0.0002 0.0122 0.0029 58 ASP D CB 11197 C CG . ASP D 58 ? 0.1126 0.1073 0.1045 -0.0005 0.0117 0.0025 58 ASP D CG 11198 O OD1 . ASP D 58 ? 0.1444 0.1398 0.1372 -0.0003 0.0117 0.0021 58 ASP D OD1 11199 O OD2 . ASP D 58 ? 0.1468 0.1400 0.1385 -0.0008 0.0112 0.0027 58 ASP D OD2 11204 N N . ASN D 59 ? 0.1075 0.1024 0.0983 0.0015 0.0114 0.0006 59 ASN D N 11205 C CA . ASN D 59 ? 0.1261 0.1196 0.1163 0.0019 0.0108 -0.0001 59 ASN D CA 11206 C C . ASN D 59 ? 0.1102 0.1040 0.0994 0.0027 0.0109 -0.0006 59 ASN D C 11207 O O . ASN D 59 ? 0.1317 0.1245 0.1199 0.0029 0.0105 -0.0008 59 ASN D O 11208 C CB . ASN D 59 ? 0.1075 0.0995 0.0974 0.0014 0.0104 0.0004 59 ASN D CB 11209 C CG . ASN D 59 ? 0.1079 0.0995 0.0988 0.0007 0.0102 0.0008 59 ASN D CG 11210 O OD1 . ASN D 59 ? 0.1126 0.1050 0.1046 0.0005 0.0104 0.0007 59 ASN D OD1 11211 N ND2 . ASN D 59 ? 0.1433 0.1337 0.1340 0.0002 0.0099 0.0012 59 ASN D ND2 11218 N N . GLU D 60 ? 0.1114 0.1066 0.1006 0.0031 0.0114 -0.0009 60 GLU D N 11219 C CA . GLU D 60 ? 0.1158 0.1114 0.1041 0.0039 0.0115 -0.0016 60 GLU D CA 11220 C C . GLU D 60 ? 0.1248 0.1193 0.1130 0.0044 0.0110 -0.0025 60 GLU D C 11221 O O . GLU D 60 ? 0.1305 0.1245 0.1176 0.0047 0.0107 -0.0029 60 GLU D O 11222 C CB . GLU D 60 ? 0.1313 0.1286 0.1197 0.0043 0.0122 -0.0017 60 GLU D CB 11223 C CG . GLU D 60 ? 0.1304 0.1284 0.1177 0.0050 0.0125 -0.0023 60 GLU D CG 11224 C CD . GLU D 60 ? 0.1658 0.1639 0.1516 0.0049 0.0126 -0.0018 60 GLU D CD 11225 O OE1 . GLU D 60 ? 0.1642 0.1620 0.1500 0.0042 0.0126 -0.0009 60 GLU D OE1 11226 O OE2 . GLU D 60 ? 0.1711 0.1695 0.1558 0.0055 0.0127 -0.0024 60 GLU D OE2 11233 N N . LEU D 61 ? 0.1179 0.1120 0.1073 0.0043 0.0107 -0.0028 61 LEU D N 11234 C CA . LEU D 61 ? 0.1122 0.1052 0.1018 0.0046 0.0101 -0.0036 61 LEU D CA 11235 C C . LEU D 61 ? 0.1120 0.1044 0.1028 0.0041 0.0098 -0.0033 61 LEU D C 11236 O O . LEU D 61 ? 0.1155 0.1087 0.1073 0.0041 0.0101 -0.0032 61 LEU D O 11237 C CB . LEU D 61 ? 0.0961 0.0895 0.0857 0.0054 0.0102 -0.0045 61 LEU D CB 11238 C CG . LEU D 61 ? 0.1148 0.1071 0.1044 0.0058 0.0096 -0.0053 61 LEU D CG 11239 C CD1 . LEU D 61 ? 0.1506 0.1434 0.1401 0.0066 0.0099 -0.0062 61 LEU D CD1 11240 C CD2 . LEU D 61 ? 0.1592 0.1506 0.1500 0.0055 0.0092 -0.0053 61 LEU D CD2 11252 N N . LEU D 62 ? 0.0873 0.0784 0.0780 0.0037 0.0093 -0.0031 62 LEU D N 11253 C CA . LEU D 62 ? 0.0826 0.0733 0.0744 0.0032 0.0090 -0.0029 62 LEU D CA 11254 C C . LEU D 62 ? 0.0912 0.0806 0.0830 0.0033 0.0083 -0.0033 62 LEU D C 11255 O O . LEU D 62 ? 0.1021 0.0907 0.0930 0.0033 0.0080 -0.0033 62 LEU D O 11256 C CB . LEU D 62 ? 0.1053 0.0960 0.0971 0.0025 0.0091 -0.0020 62 LEU D CB 11257 C CG . LEU D 62 ? 0.0927 0.0827 0.0854 0.0019 0.0088 -0.0017 62 LEU D CG 11258 C CD1 . LEU D 62 ? 0.1077 0.0985 0.1016 0.0018 0.0089 -0.0018 62 LEU D CD1 11259 C CD2 . LEU D 62 ? 0.1099 0.0996 0.1023 0.0012 0.0089 -0.0009 62 LEU D CD2 11271 N N . VAL D 63 ? 0.0872 0.0765 0.0800 0.0033 0.0081 -0.0036 63 VAL D N 11272 C CA . VAL D 63 ? 0.0838 0.0719 0.0768 0.0033 0.0074 -0.0038 63 VAL D CA 11273 C C . VAL D 63 ? 0.0999 0.0877 0.0936 0.0026 0.0073 -0.0034 63 VAL D C 11274 O O . VAL D 63 ? 0.1072 0.0958 0.1019 0.0025 0.0075 -0.0032 63 VAL D O 11275 C CB . VAL D 63 ? 0.0998 0.0878 0.0934 0.0038 0.0072 -0.0045 63 VAL D CB 11276 C CG1 . VAL D 63 ? 0.1254 0.1123 0.1191 0.0037 0.0066 -0.0048 63 VAL D CG1 11277 C CG2 . VAL D 63 ? 0.1398 0.1281 0.1326 0.0045 0.0074 -0.0051 63 VAL D CG2 11287 N N . TYR D 64 ? 0.1004 0.0872 0.0937 0.0023 0.0070 -0.0031 64 TYR D N 11288 C CA . TYR D 64 ? 0.1152 0.1017 0.1090 0.0016 0.0069 -0.0026 64 TYR D CA 11289 C C . TYR D 64 ? 0.1263 0.1118 0.1202 0.0016 0.0063 -0.0028 64 TYR D C 11290 O O . TYR D 64 ? 0.1209 0.1057 0.1141 0.0018 0.0061 -0.0030 64 TYR D O 11291 C CB . TYR D 64 ? 0.1060 0.0926 0.0992 0.0013 0.0072 -0.0020 64 TYR D CB 11292 C CG . TYR D 64 ? 0.1097 0.0960 0.1033 0.0006 0.0072 -0.0015 64 TYR D CG 11293 C CD1 . TYR D 64 ? 0.1141 0.1015 0.1085 0.0002 0.0076 -0.0012 64 TYR D CD1 11294 C CD2 . TYR D 64 ? 0.1384 0.1236 0.1317 0.0002 0.0069 -0.0013 64 TYR D CD2 11295 C CE1 . TYR D 64 ? 0.1301 0.1173 0.1250 -0.0005 0.0076 -0.0008 64 TYR D CE1 11296 C CE2 . TYR D 64 ? 0.1529 0.1379 0.1466 -0.0005 0.0070 -0.0008 64 TYR D CE2 11297 C CZ . TYR D 64 ? 0.1340 0.1200 0.1285 -0.0008 0.0073 -0.0006 64 TYR D CZ 11298 O OH . TYR D 64 ? 0.1720 0.1579 0.1670 -0.0016 0.0073 -0.0002 64 TYR D OH 11308 N N . LYS D 65 ? 0.1155 0.1009 0.1102 0.0012 0.0061 -0.0028 65 LYS D N 11309 C CA . LYS D 65 ? 0.1119 0.0964 0.1067 0.0011 0.0056 -0.0029 65 LYS D CA 11310 C C . LYS D 65 ? 0.1226 0.1065 0.1171 0.0005 0.0056 -0.0025 65 LYS D C 11311 O O . LYS D 65 ? 0.1326 0.1169 0.1278 0.0001 0.0057 -0.0022 65 LYS D O 11312 C CB . LYS D 65 ? 0.1345 0.1194 0.1303 0.0011 0.0054 -0.0031 65 LYS D CB 11313 C CG . LYS D 65 ? 0.1889 0.1730 0.1848 0.0010 0.0049 -0.0033 65 LYS D CG 11314 C CD . LYS D 65 ? 0.2375 0.2212 0.2331 0.0015 0.0047 -0.0037 65 LYS D CD 11315 C CE . LYS D 65 ? 0.2262 0.2092 0.2219 0.0015 0.0042 -0.0039 65 LYS D CE 11316 N NZ . LYS D 65 ? 0.2136 0.1969 0.2102 0.0012 0.0040 -0.0038 65 LYS D NZ 11330 N N . GLU D 66 ? 0.1635 0.1466 0.1573 0.0006 0.0054 -0.0024 66 GLU D N 11331 C CA . GLU D 66 ? 0.2032 0.1856 0.1968 0.0002 0.0054 -0.0020 66 GLU D CA 11332 C C . GLU D 66 ? 0.1696 0.1515 0.1637 -0.0001 0.0051 -0.0021 66 GLU D C 11333 O O . GLU D 66 ? 0.2146 0.1962 0.2089 -0.0007 0.0052 -0.0018 66 GLU D O 11334 C CB . GLU D 66 ? 0.1835 0.1652 0.1761 0.0005 0.0053 -0.0020 66 GLU D CB 11335 C CG . GLU D 66 ? 0.1985 0.1806 0.1904 0.0009 0.0055 -0.0019 66 GLU D CG 11336 C CD . GLU D 66 ? 0.2265 0.2089 0.2181 0.0006 0.0060 -0.0014 66 GLU D CD 11337 O OE1 . GLU D 66 ? 0.2481 0.2302 0.2400 0.0001 0.0061 -0.0010 66 GLU D OE1 11338 O OE2 . GLU D 66 ? 0.2055 0.1885 0.1965 0.0009 0.0063 -0.0013 66 GLU D OE2 11345 N N . ARG D 67 ? 0.1513 0.1330 0.1456 0.0001 0.0048 -0.0025 67 ARG D N 11346 C CA . ARG D 67 ? 0.1275 0.1089 0.1222 -0.0001 0.0044 -0.0027 67 ARG D CA 11347 C C . ARG D 67 ? 0.1544 0.1358 0.1493 0.0003 0.0041 -0.0031 67 ARG D C 11348 O O . ARG D 67 ? 0.1387 0.1203 0.1333 0.0008 0.0041 -0.0032 67 ARG D O 11349 C CB . ARG D 67 ? 0.1542 0.1345 0.1484 -0.0002 0.0043 -0.0025 67 ARG D CB 11350 C CG . ARG D 67 ? 0.1849 0.1648 0.1784 0.0003 0.0042 -0.0025 67 ARG D CG 11351 C CD . ARG D 67 ? 0.2520 0.2309 0.2450 0.0002 0.0041 -0.0023 67 ARG D CD 11352 N NE . ARG D 67 ? 0.2629 0.2415 0.2558 -0.0002 0.0044 -0.0019 67 ARG D NE 11353 C CZ . ARG D 67 ? 0.2485 0.2270 0.2409 -0.0002 0.0047 -0.0015 67 ARG D CZ 11354 N NH1 . ARG D 67 ? 0.3185 0.2973 0.3103 0.0002 0.0047 -0.0015 67 ARG D NH1 11355 N NH2 . ARG D 67 ? 0.3811 0.3593 0.3735 -0.0007 0.0049 -0.0011 67 ARG D NH2 11369 N N . VAL D 68 ? 0.1487 0.1300 0.1440 0.0002 0.0038 -0.0032 68 VAL D N 11370 C CA . VAL D 68 ? 0.1164 0.0978 0.1121 0.0005 0.0035 -0.0035 68 VAL D CA 11371 C C . VAL D 68 ? 0.1310 0.1119 0.1259 0.0009 0.0033 -0.0037 68 VAL D C 11372 O O . VAL D 68 ? 0.1737 0.1540 0.1681 0.0009 0.0033 -0.0035 68 VAL D O 11373 C CB A VAL D 68 ? 0.1510 0.1323 0.1471 0.0003 0.0032 -0.0036 68 VAL D CB 11374 C CB B VAL D 68 ? 0.1626 0.1439 0.1587 0.0003 0.0032 -0.0036 68 VAL D CB 11375 C CG1 A VAL D 68 ? 0.1690 0.1504 0.1654 0.0006 0.0028 -0.0038 68 VAL D CG1 11376 C CG1 B VAL D 68 ? 0.2272 0.2092 0.2241 0.0000 0.0032 -0.0035 68 VAL D CG1 11377 C CG2 A VAL D 68 ? 0.2954 0.2772 0.2921 -0.0001 0.0033 -0.0035 68 VAL D CG2 11378 C CG2 B VAL D 68 ? 0.1088 0.0894 0.1045 0.0001 0.0031 -0.0035 68 VAL D CG2 11395 N N . GLY D 69 ? 0.1286 0.1098 0.1237 0.0013 0.0032 -0.0039 69 GLY D N 11396 C CA . GLY D 69 ? 0.1314 0.1122 0.1259 0.0017 0.0030 -0.0041 69 GLY D CA 11397 C C . GLY D 69 ? 0.1590 0.1397 0.1526 0.0019 0.0033 -0.0040 69 GLY D C 11398 O O . GLY D 69 ? 0.1654 0.1459 0.1585 0.0021 0.0031 -0.0042 69 GLY D O 11402 N N . GLU D 70 ? 0.1109 0.0920 0.1044 0.0017 0.0037 -0.0038 70 GLU D N 11403 C CA . GLU D 70 ? 0.1201 0.1012 0.1128 0.0019 0.0039 -0.0036 70 GLU D CA 11404 C C . GLU D 70 ? 0.1269 0.1087 0.1196 0.0019 0.0044 -0.0036 70 GLU D C 11405 O O . GLU D 70 ? 0.1360 0.1183 0.1293 0.0016 0.0046 -0.0034 70 GLU D O 11406 C CB . GLU D 70 ? 0.1526 0.1333 0.1449 0.0016 0.0041 -0.0031 70 GLU D CB 11407 C CG . GLU D 70 ? 0.2083 0.1883 0.2005 0.0016 0.0037 -0.0031 70 GLU D CG 11408 C CD . GLU D 70 ? 0.2613 0.2406 0.2530 0.0014 0.0039 -0.0026 70 GLU D CD 11409 O OE1 . GLU D 70 ? 0.2717 0.2512 0.2632 0.0012 0.0043 -0.0023 70 GLU D OE1 11410 O OE2 . GLU D 70 ? 0.3798 0.3585 0.3714 0.0014 0.0036 -0.0026 70 GLU D OE2 11417 N N . TYR D 71 ? 0.0974 0.0795 0.0896 0.0023 0.0044 -0.0039 71 TYR D N 11418 C CA . TYR D 71 ? 0.1040 0.0868 0.0963 0.0025 0.0048 -0.0040 71 TYR D CA 11419 C C . TYR D 71 ? 0.1089 0.0920 0.1002 0.0027 0.0051 -0.0038 71 TYR D C 11420 O O . TYR D 71 ? 0.1235 0.1062 0.1140 0.0029 0.0049 -0.0039 71 TYR D O 11421 C CB . TYR D 71 ? 0.1261 0.1091 0.1187 0.0030 0.0046 -0.0047 71 TYR D CB 11422 C CG . TYR D 71 ? 0.1079 0.0908 0.1015 0.0028 0.0044 -0.0048 71 TYR D CG 11423 C CD1 . TYR D 71 ? 0.1229 0.1052 0.1167 0.0028 0.0039 -0.0049 71 TYR D CD1 11424 C CD2 . TYR D 71 ? 0.1527 0.1363 0.1471 0.0028 0.0046 -0.0048 71 TYR D CD2 11425 C CE1 . TYR D 71 ? 0.1274 0.1097 0.1221 0.0026 0.0037 -0.0049 71 TYR D CE1 11426 C CE2 . TYR D 71 ? 0.1664 0.1499 0.1617 0.0027 0.0044 -0.0048 71 TYR D CE2 11427 C CZ . TYR D 71 ? 0.1454 0.1284 0.1409 0.0026 0.0039 -0.0049 71 TYR D CZ 11428 O OH . TYR D 71 ? 0.1743 0.1574 0.1707 0.0025 0.0037 -0.0049 71 TYR D OH 11438 N N . SER D 72 ? 0.1066 0.0904 0.0979 0.0025 0.0056 -0.0035 72 SER D N 11439 C CA . SER D 72 ? 0.0984 0.0826 0.0888 0.0027 0.0059 -0.0033 72 SER D CA 11440 C C . SER D 72 ? 0.0874 0.0725 0.0777 0.0030 0.0063 -0.0035 72 SER D C 11441 O O . SER D 72 ? 0.1066 0.0923 0.0979 0.0030 0.0065 -0.0037 72 SER D O 11442 C CB . SER D 72 ? 0.1313 0.1155 0.1217 0.0022 0.0062 -0.0025 72 SER D CB 11443 O OG . SER D 72 ? 0.1586 0.1418 0.1489 0.0019 0.0059 -0.0023 72 SER D OG 11449 N N . LEU D 73 ? 0.0959 0.0813 0.0853 0.0033 0.0065 -0.0036 73 LEU D N 11450 C CA . LEU D 73 ? 0.0917 0.0781 0.0808 0.0037 0.0069 -0.0038 73 LEU D CA 11451 C C . LEU D 73 ? 0.1100 0.0968 0.0983 0.0035 0.0074 -0.0032 73 LEU D C 11452 O O . LEU D 73 ? 0.1138 0.1002 0.1013 0.0035 0.0072 -0.0030 73 LEU D O 11453 C CB . LEU D 73 ? 0.1034 0.0897 0.0919 0.0042 0.0068 -0.0046 73 LEU D CB 11454 C CG . LEU D 73 ? 0.1062 0.0936 0.0942 0.0047 0.0073 -0.0050 73 LEU D CG 11455 C CD1 . LEU D 73 ? 0.1264 0.1144 0.1154 0.0048 0.0076 -0.0051 73 LEU D CD1 11456 C CD2 . LEU D 73 ? 0.1214 0.1086 0.1086 0.0052 0.0070 -0.0057 73 LEU D CD2 11468 N N . TYR D 74 ? 0.1035 0.0914 0.0921 0.0034 0.0079 -0.0029 74 TYR D N 11469 C CA . TYR D 74 ? 0.1107 0.0993 0.0985 0.0033 0.0084 -0.0023 74 TYR D CA 11470 C C . TYR D 74 ? 0.1195 0.1092 0.1068 0.0038 0.0088 -0.0028 74 TYR D C 11471 O O . TYR D 74 ? 0.1236 0.1138 0.1116 0.0041 0.0089 -0.0033 74 TYR D O 11472 C CB . TYR D 74 ? 0.1156 0.1047 0.1042 0.0027 0.0088 -0.0016 74 TYR D CB 11473 C CG . TYR D 74 ? 0.1398 0.1279 0.1287 0.0021 0.0085 -0.0010 74 TYR D CG 11474 C CD1 . TYR D 74 ? 0.1359 0.1232 0.1256 0.0019 0.0081 -0.0013 74 TYR D CD1 11475 C CD2 . TYR D 74 ? 0.1445 0.1324 0.1330 0.0017 0.0087 -0.0002 74 TYR D CD2 11476 C CE1 . TYR D 74 ? 0.1471 0.1335 0.1372 0.0014 0.0078 -0.0009 74 TYR D CE1 11477 C CE2 . TYR D 74 ? 0.1870 0.1740 0.1759 0.0011 0.0085 0.0003 74 TYR D CE2 11478 C CZ . TYR D 74 ? 0.1732 0.1594 0.1628 0.0010 0.0081 -0.0001 74 TYR D CZ 11479 O OH . TYR D 74 ? 0.2737 0.2590 0.2637 0.0005 0.0078 0.0003 74 TYR D OH 11489 N N . ILE D 75 ? 0.1224 0.1124 0.1085 0.0040 0.0089 -0.0026 75 ILE D N 11490 C CA . ILE D 75 ? 0.1229 0.1140 0.1083 0.0045 0.0094 -0.0029 75 ILE D CA 11491 C C . ILE D 75 ? 0.1407 0.1325 0.1254 0.0042 0.0098 -0.0020 75 ILE D C 11492 O O . ILE D 75 ? 0.1517 0.1430 0.1356 0.0040 0.0096 -0.0015 75 ILE D O 11493 C CB . ILE D 75 ? 0.1330 0.1239 0.1174 0.0051 0.0090 -0.0037 75 ILE D CB 11494 C CG1 . ILE D 75 ? 0.1459 0.1359 0.1309 0.0053 0.0085 -0.0046 75 ILE D CG1 11495 C CG2 . ILE D 75 ? 0.1551 0.1473 0.1386 0.0055 0.0096 -0.0040 75 ILE D CG2 11496 C CD1 . ILE D 75 ? 0.1483 0.1389 0.1340 0.0057 0.0088 -0.0052 75 ILE D CD1 11508 N N . GLY D 76 ? 0.1440 0.1371 0.1290 0.0042 0.0105 -0.0017 76 GLY D N 11509 C CA . GLY D 76 ? 0.1404 0.1344 0.1248 0.0039 0.0110 -0.0008 76 GLY D CA 11510 C C . GLY D 76 ? 0.1435 0.1365 0.1281 0.0032 0.0107 0.0002 76 GLY D C 11511 O O . GLY D 76 ? 0.1667 0.1597 0.1504 0.0030 0.0108 0.0008 76 GLY D O 11515 N N . ARG D 77 ? 0.1269 0.1191 0.1126 0.0027 0.0105 0.0003 77 ARG D N 11516 C CA . ARG D 77 ? 0.1298 0.1210 0.1158 0.0021 0.0103 0.0010 77 ARG D CA 11517 C C . ARG D 77 ? 0.1417 0.1315 0.1272 0.0021 0.0097 0.0010 77 ARG D C 11518 O O . ARG D 77 ? 0.2295 0.2182 0.2153 0.0016 0.0094 0.0015 77 ARG D O 11519 C CB . ARG D 77 ? 0.1878 0.1797 0.1736 0.0016 0.0108 0.0021 77 ARG D CB 11520 C CG . ARG D 77 ? 0.2946 0.2876 0.2812 0.0012 0.0113 0.0024 77 ARG D CG 11521 C CD . ARG D 77 ? 0.3804 0.3737 0.3670 0.0005 0.0117 0.0036 77 ARG D CD 11522 N NE . ARG D 77 ? 0.4156 0.4079 0.4031 -0.0002 0.0115 0.0041 77 ARG D NE 11523 C CZ . ARG D 77 ? 0.4018 0.3937 0.3893 -0.0009 0.0117 0.0051 77 ARG D CZ 11524 N NH1 . ARG D 77 ? 0.3640 0.3564 0.3506 -0.0009 0.0120 0.0058 77 ARG D NH1 11525 N NH2 . ARG D 77 ? 0.3053 0.2964 0.2938 -0.0016 0.0115 0.0053 77 ARG D NH2 11539 N N . HIS D 78 ? 0.1593 0.1490 0.1440 0.0027 0.0094 0.0004 78 HIS D N 11540 C CA . HIS D 78 ? 0.1380 0.1265 0.1222 0.0028 0.0088 0.0003 78 HIS D CA 11541 C C . HIS D 78 ? 0.1466 0.1343 0.1316 0.0029 0.0083 -0.0005 78 HIS D C 11542 O O . HIS D 78 ? 0.1555 0.1438 0.1410 0.0031 0.0084 -0.0011 78 HIS D O 11543 C CB . HIS D 78 ? 0.1315 0.1204 0.1144 0.0034 0.0087 -0.0001 78 HIS D CB 11544 C CG . HIS D 78 ? 0.1778 0.1675 0.1597 0.0033 0.0091 0.0007 78 HIS D CG 11545 N ND1 . HIS D 78 ? 0.2478 0.2377 0.2284 0.0037 0.0089 0.0007 78 HIS D ND1 11546 C CD2 . HIS D 78 ? 0.2087 0.1992 0.1906 0.0030 0.0097 0.0015 78 HIS D CD2 11547 C CE1 . HIS D 78 ? 0.2453 0.2360 0.2252 0.0036 0.0094 0.0015 78 HIS D CE1 11548 N NE2 . HIS D 78 ? 0.2401 0.2312 0.2208 0.0031 0.0099 0.0020 78 HIS D NE2 11556 N N . LYS D 79 ? 0.1348 0.1213 0.1199 0.0028 0.0078 -0.0005 79 LYS D N 11557 C CA A LYS D 79 ? 0.1366 0.1225 0.1226 0.0029 0.0074 -0.0012 79 LYS D CA 11558 C CA B LYS D 79 ? 0.1312 0.1171 0.1171 0.0029 0.0074 -0.0012 79 LYS D CA 11559 C C . LYS D 79 ? 0.1392 0.1243 0.1247 0.0031 0.0068 -0.0015 79 LYS D C 11560 O O . LYS D 79 ? 0.1615 0.1462 0.1462 0.0032 0.0066 -0.0011 79 LYS D O 11561 C CB A LYS D 79 ? 0.2219 0.2073 0.2089 0.0023 0.0073 -0.0008 79 LYS D CB 11562 C CB B LYS D 79 ? 0.2130 0.1984 0.2000 0.0023 0.0073 -0.0008 79 LYS D CB 11563 C CG A LYS D 79 ? 0.2061 0.1903 0.1929 0.0020 0.0070 -0.0003 79 LYS D CG 11564 C CG B LYS D 79 ? 0.1732 0.1576 0.1600 0.0020 0.0072 -0.0001 79 LYS D CG 11565 C CD A LYS D 79 ? 0.2149 0.1986 0.2027 0.0014 0.0071 0.0001 79 LYS D CD 11566 C CD B LYS D 79 ? 0.2357 0.2196 0.2235 0.0014 0.0072 0.0002 79 LYS D CD 11567 C CE A LYS D 79 ? 0.2712 0.2546 0.2599 0.0014 0.0068 -0.0005 79 LYS D CE 11568 C CE B LYS D 79 ? 0.2430 0.2265 0.2316 0.0014 0.0068 -0.0005 79 LYS D CE 11569 N NZ A LYS D 79 ? 0.3375 0.3203 0.3269 0.0008 0.0068 -0.0001 79 LYS D NZ 11570 N NZ B LYS D 79 ? 0.3273 0.3102 0.3167 0.0008 0.0068 -0.0002 79 LYS D NZ 11597 N N . VAL D 80 ? 0.1123 0.0971 0.0983 0.0033 0.0064 -0.0023 80 VAL D N 11598 C CA . VAL D 80 ? 0.1203 0.1044 0.1064 0.0035 0.0058 -0.0026 80 VAL D CA 11599 C C . VAL D 80 ? 0.1097 0.0931 0.0969 0.0032 0.0056 -0.0029 80 VAL D C 11600 O O . VAL D 80 ? 0.1130 0.0969 0.1010 0.0031 0.0059 -0.0030 80 VAL D O 11601 C CB . VAL D 80 ? 0.1289 0.1132 0.1144 0.0040 0.0056 -0.0034 80 VAL D CB 11602 C CG1 . VAL D 80 ? 0.1376 0.1224 0.1218 0.0042 0.0057 -0.0031 80 VAL D CG1 11603 C CG2 . VAL D 80 ? 0.1202 0.1050 0.1062 0.0042 0.0058 -0.0041 80 VAL D CG2 11613 N N . THR D 81 ? 0.1150 0.0977 0.1024 0.0032 0.0051 -0.0029 81 THR D N 11614 C CA . THR D 81 ? 0.1005 0.0827 0.0889 0.0030 0.0049 -0.0031 81 THR D CA 11615 C C . THR D 81 ? 0.1058 0.0876 0.0942 0.0032 0.0043 -0.0036 81 THR D C 11616 O O . THR D 81 ? 0.1283 0.1098 0.1160 0.0033 0.0041 -0.0035 81 THR D O 11617 C CB . THR D 81 ? 0.1240 0.1056 0.1127 0.0025 0.0049 -0.0025 81 THR D CB 11618 O OG1 . THR D 81 ? 0.1596 0.1417 0.1483 0.0023 0.0054 -0.0020 81 THR D OG1 11619 C CG2 . THR D 81 ? 0.1501 0.1314 0.1398 0.0023 0.0047 -0.0027 81 THR D CG2 11627 N N . SER D 82 ? 0.1082 0.0899 0.0974 0.0032 0.0041 -0.0041 82 SER D N 11628 C CA . SER D 82 ? 0.1065 0.0878 0.0959 0.0033 0.0036 -0.0045 82 SER D CA 11629 C C . SER D 82 ? 0.1054 0.0864 0.0958 0.0031 0.0034 -0.0045 82 SER D C 11630 O O . SER D 82 ? 0.1161 0.0973 0.1071 0.0029 0.0037 -0.0044 82 SER D O 11631 C CB . SER D 82 ? 0.1717 0.1532 0.1607 0.0037 0.0034 -0.0051 82 SER D CB 11632 O OG . SER D 82 ? 0.1734 0.1551 0.1613 0.0039 0.0034 -0.0051 82 SER D OG 11638 N N . LYS D 83 ? 0.1037 0.0842 0.0942 0.0031 0.0029 -0.0046 83 LYS D N 11639 C CA . LYS D 83 ? 0.1079 0.0882 0.0992 0.0028 0.0028 -0.0045 83 LYS D CA 11640 C C . LYS D 83 ? 0.1065 0.0867 0.0984 0.0029 0.0024 -0.0050 83 LYS D C 11641 O O . LYS D 83 ? 0.1148 0.0951 0.1064 0.0032 0.0022 -0.0053 83 LYS D O 11642 C CB . LYS D 83 ? 0.1117 0.0915 0.1028 0.0027 0.0026 -0.0042 83 LYS D CB 11643 C CG . LYS D 83 ? 0.1419 0.1215 0.1326 0.0026 0.0029 -0.0037 83 LYS D CG 11644 C CD . LYS D 83 ? 0.2101 0.1891 0.2006 0.0026 0.0027 -0.0033 83 LYS D CD 11645 C CE . LYS D 83 ? 0.2998 0.2785 0.2900 0.0024 0.0031 -0.0028 83 LYS D CE 11646 N NZ . LYS D 83 ? 0.3060 0.2840 0.2962 0.0023 0.0030 -0.0025 83 LYS D NZ 11660 N N . VAL D 84 ? 0.1125 0.0927 0.1052 0.0027 0.0023 -0.0049 84 VAL D N 11661 C CA . VAL D 84 ? 0.1013 0.0816 0.0947 0.0027 0.0020 -0.0053 84 VAL D CA 11662 C C . VAL D 84 ? 0.1227 0.1029 0.1168 0.0024 0.0019 -0.0050 84 VAL D C 11663 O O . VAL D 84 ? 0.1316 0.1118 0.1259 0.0022 0.0021 -0.0047 84 VAL D O 11664 C CB . VAL D 84 ? 0.1287 0.1092 0.1225 0.0029 0.0022 -0.0056 84 VAL D CB 11665 C CG1 . VAL D 84 ? 0.1481 0.1290 0.1425 0.0027 0.0025 -0.0053 84 VAL D CG1 11666 C CG2 . VAL D 84 ? 0.1495 0.1299 0.1438 0.0030 0.0018 -0.0059 84 VAL D CG2 11676 N N . ILE D 85 ? 0.1190 0.0991 0.1135 0.0024 0.0015 -0.0052 85 ILE D N 11677 C CA . ILE D 85 ? 0.1418 0.1220 0.1371 0.0022 0.0014 -0.0050 85 ILE D CA 11678 C C . ILE D 85 ? 0.1480 0.1285 0.1440 0.0021 0.0015 -0.0051 85 ILE D C 11679 O O . ILE D 85 ? 0.1657 0.1462 0.1620 0.0023 0.0014 -0.0054 85 ILE D O 11680 C CB . ILE D 85 ? 0.1448 0.1249 0.1403 0.0022 0.0009 -0.0051 85 ILE D CB 11681 C CG1 . ILE D 85 ? 0.1615 0.1413 0.1563 0.0023 0.0008 -0.0051 85 ILE D CG1 11682 C CG2 . ILE D 85 ? 0.1730 0.1533 0.1693 0.0020 0.0008 -0.0050 85 ILE D CG2 11683 C CD1 . ILE D 85 ? 0.1825 0.1624 0.1776 0.0024 0.0003 -0.0052 85 ILE D CD1 11695 N N . GLU D 86 ? 0.1678 0.1486 0.1642 0.0019 0.0017 -0.0048 86 GLU D N 11696 C CA . GLU D 86 ? 0.1648 0.1460 0.1620 0.0018 0.0017 -0.0048 86 GLU D CA 11697 C C . GLU D 86 ? 0.1500 0.1315 0.1477 0.0014 0.0017 -0.0045 86 GLU D C 11698 O O . GLU D 86 ? 0.2088 0.1901 0.2061 0.0013 0.0018 -0.0044 86 GLU D O 11699 C CB . GLU D 86 ? 0.2467 0.2282 0.2438 0.0019 0.0021 -0.0048 86 GLU D CB 11700 C CG . GLU D 86 ? 0.2819 0.2634 0.2785 0.0017 0.0025 -0.0046 86 GLU D CG 11701 C CD . GLU D 86 ? 0.2702 0.2522 0.2667 0.0018 0.0029 -0.0045 86 GLU D CD 11702 O OE1 . GLU D 86 ? 0.1906 0.1727 0.1871 0.0022 0.0029 -0.0048 86 GLU D OE1 11703 O OE2 . GLU D 86 ? 0.1962 0.1784 0.1927 0.0015 0.0032 -0.0043 86 GLU D OE2 11710 N N . LYS D 87 ? 0.1786 0.1604 0.1770 0.0014 0.0016 -0.0044 87 LYS D N 11711 C CA . LYS D 87 ? 0.1872 0.1695 0.1861 0.0011 0.0016 -0.0042 87 LYS D CA 11712 C C . LYS D 87 ? 0.1613 0.1440 0.1603 0.0009 0.0019 -0.0040 87 LYS D C 11713 O O . LYS D 87 ? 0.1855 0.1683 0.1844 0.0011 0.0022 -0.0041 87 LYS D O 11714 C CB . LYS D 87 ? 0.2186 0.2013 0.2184 0.0011 0.0013 -0.0041 87 LYS D CB 11715 C CG . LYS D 87 ? 0.3121 0.2944 0.3119 0.0012 0.0010 -0.0042 87 LYS D CG 11716 C CD . LYS D 87 ? 0.3858 0.3685 0.3865 0.0011 0.0007 -0.0040 87 LYS D CD 11717 C CE . LYS D 87 ? 0.5060 0.4883 0.5068 0.0012 0.0004 -0.0040 87 LYS D CE 11718 N NZ . LYS D 87 ? 0.6184 0.6011 0.6201 0.0011 0.0001 -0.0037 87 LYS D NZ 11732 N N . PHE D 88 ? 0.1582 0.1412 0.1573 0.0005 0.0019 -0.0039 88 PHE D N 11733 C CA . PHE D 88 ? 0.1328 0.1162 0.1321 0.0003 0.0022 -0.0037 88 PHE D CA 11734 C C . PHE D 88 ? 0.1289 0.1130 0.1288 -0.0001 0.0021 -0.0035 88 PHE D C 11735 O O . PHE D 88 ? 0.1487 0.1327 0.1484 -0.0003 0.0019 -0.0035 88 PHE D O 11736 C CB . PHE D 88 ? 0.1412 0.1243 0.1398 0.0000 0.0024 -0.0037 88 PHE D CB 11737 C CG . PHE D 88 ? 0.1426 0.1261 0.1414 -0.0003 0.0027 -0.0035 88 PHE D CG 11738 C CD1 . PHE D 88 ? 0.1839 0.1679 0.1829 -0.0003 0.0030 -0.0034 88 PHE D CD1 11739 C CD2 . PHE D 88 ? 0.1415 0.1251 0.1404 -0.0008 0.0026 -0.0035 88 PHE D CD2 11740 C CE1 . PHE D 88 ? 0.1532 0.1378 0.1525 -0.0007 0.0032 -0.0032 88 PHE D CE1 11741 C CE2 . PHE D 88 ? 0.1667 0.1509 0.1659 -0.0012 0.0028 -0.0033 88 PHE D CE2 11742 C CZ . PHE D 88 ? 0.1608 0.1454 0.1602 -0.0012 0.0031 -0.0032 88 PHE D CZ 11752 N N . PRO D 89 ? 0.1053 0.0902 0.1058 -0.0002 0.0022 -0.0034 89 PRO D N 11753 C CA . PRO D 89 ? 0.0964 0.0816 0.0972 0.0002 0.0024 -0.0034 89 PRO D CA 11754 C C . PRO D 89 ? 0.1303 0.1154 0.1315 0.0006 0.0022 -0.0035 89 PRO D C 11755 O O . PRO D 89 ? 0.1401 0.1251 0.1415 0.0006 0.0019 -0.0034 89 PRO D O 11756 C CB . PRO D 89 ? 0.1431 0.1293 0.1446 -0.0001 0.0025 -0.0031 89 PRO D CB 11757 C CG . PRO D 89 ? 0.1983 0.1847 0.1998 -0.0006 0.0024 -0.0030 89 PRO D CG 11758 C CD . PRO D 89 ? 0.1383 0.1239 0.1393 -0.0006 0.0021 -0.0032 89 PRO D CD 11766 N N . ALA D 90 ? 0.1245 0.1095 0.1256 0.0010 0.0024 -0.0036 90 ALA D N 11767 C CA . ALA D 90 ? 0.1371 0.1218 0.1385 0.0014 0.0023 -0.0038 90 ALA D CA 11768 C C . ALA D 90 ? 0.1052 0.0901 0.1067 0.0019 0.0026 -0.0040 90 ALA D C 11769 O O . ALA D 90 ? 0.1336 0.1184 0.1344 0.0019 0.0029 -0.0041 90 ALA D O 11770 C CB . ALA D 90 ? 0.1814 0.1653 0.1824 0.0016 0.0020 -0.0040 90 ALA D CB 11776 N N . PRO D 91 ? 0.1042 0.0893 0.1064 0.0022 0.0025 -0.0040 91 PRO D N 11777 C CA . PRO D 91 ? 0.1063 0.0914 0.1084 0.0027 0.0028 -0.0043 91 PRO D CA 11778 C C . PRO D 91 ? 0.1218 0.1061 0.1231 0.0029 0.0028 -0.0047 91 PRO D C 11779 O O . PRO D 91 ? 0.1344 0.1180 0.1354 0.0028 0.0025 -0.0048 91 PRO D O 11780 C CB . PRO D 91 ? 0.1327 0.1179 0.1358 0.0031 0.0026 -0.0042 91 PRO D CB 11781 C CG . PRO D 91 ? 0.1525 0.1381 0.1562 0.0027 0.0024 -0.0038 91 PRO D CG 11782 C CD . PRO D 91 ? 0.1266 0.1118 0.1296 0.0022 0.0022 -0.0037 91 PRO D CD 11790 N N . VAL D 92 ? 0.0959 0.0803 0.0967 0.0032 0.0032 -0.0049 92 VAL D N 11791 C CA . VAL D 92 ? 0.1098 0.0935 0.1097 0.0034 0.0032 -0.0054 92 VAL D CA 11792 C C . VAL D 92 ? 0.0939 0.0778 0.0939 0.0040 0.0035 -0.0058 92 VAL D C 11793 O O . VAL D 92 ? 0.1217 0.1063 0.1221 0.0042 0.0038 -0.0057 92 VAL D O 11794 C CB . VAL D 92 ? 0.1228 0.1065 0.1218 0.0031 0.0034 -0.0052 92 VAL D CB 11795 C CG1 . VAL D 92 ? 0.1430 0.1275 0.1420 0.0031 0.0039 -0.0050 92 VAL D CG1 11796 C CG2 . VAL D 92 ? 0.1577 0.1407 0.1558 0.0033 0.0032 -0.0056 92 VAL D CG2 11806 N N . HIS D 93 ? 0.0997 0.0829 0.0992 0.0043 0.0033 -0.0063 93 HIS D N 11807 C CA . HIS D 93 ? 0.0983 0.0815 0.0974 0.0048 0.0036 -0.0068 93 HIS D CA 11808 C C . HIS D 93 ? 0.0938 0.0768 0.0917 0.0048 0.0037 -0.0070 93 HIS D C 11809 O O . HIS D 93 ? 0.0999 0.0823 0.0972 0.0046 0.0034 -0.0070 93 HIS D O 11810 C CB . HIS D 93 ? 0.1009 0.0833 0.1003 0.0052 0.0033 -0.0073 93 HIS D CB 11811 C CG . HIS D 93 ? 0.1005 0.0829 0.0995 0.0058 0.0036 -0.0079 93 HIS D CG 11812 N ND1 . HIS D 93 ? 0.1159 0.0979 0.1140 0.0060 0.0036 -0.0085 93 HIS D ND1 11813 C CD2 . HIS D 93 ? 0.1118 0.0948 0.1114 0.0063 0.0040 -0.0080 93 HIS D CD2 11814 C CE1 . HIS D 93 ? 0.1272 0.1094 0.1252 0.0065 0.0039 -0.0090 93 HIS D CE1 11815 N NE2 . HIS D 93 ? 0.1209 0.1037 0.1198 0.0068 0.0042 -0.0087 93 HIS D NE2 11823 N N . ILE D 94 ? 0.0912 0.0749 0.0887 0.0050 0.0042 -0.0070 94 ILE D N 11824 C CA . ILE D 94 ? 0.1074 0.0911 0.1037 0.0049 0.0044 -0.0071 94 ILE D CA 11825 C C . ILE D 94 ? 0.1153 0.0992 0.1110 0.0055 0.0047 -0.0076 94 ILE D C 11826 O O . ILE D 94 ? 0.1389 0.1234 0.1351 0.0058 0.0051 -0.0078 94 ILE D O 11827 C CB . ILE D 94 ? 0.1415 0.1260 0.1377 0.0046 0.0048 -0.0065 94 ILE D CB 11828 C CG1 . ILE D 94 ? 0.1486 0.1329 0.1453 0.0040 0.0045 -0.0060 94 ILE D CG1 11829 C CG2 . ILE D 94 ? 0.1629 0.1475 0.1579 0.0046 0.0051 -0.0064 94 ILE D CG2 11830 C CD1 . ILE D 94 ? 0.1878 0.1728 0.1847 0.0036 0.0049 -0.0054 94 ILE D CD1 11842 N N . CYS D 95 ? 0.1185 0.1019 0.1132 0.0056 0.0045 -0.0081 95 CYS D N 11843 C CA . CYS D 95 ? 0.1083 0.0920 0.1023 0.0061 0.0048 -0.0086 95 CYS D CA 11844 C C . CYS D 95 ? 0.1238 0.1077 0.1166 0.0059 0.0049 -0.0084 95 CYS D C 11845 O O . CYS D 95 ? 0.1298 0.1131 0.1222 0.0055 0.0046 -0.0082 95 CYS D O 11846 C CB . CYS D 95 ? 0.1672 0.1501 0.1610 0.0065 0.0045 -0.0094 95 CYS D CB 11847 S SG . CYS D 95 ? 0.2690 0.2516 0.2641 0.0069 0.0045 -0.0099 95 CYS D SG 11852 N N . VAL D 96 ? 0.1034 0.0880 0.0956 0.0061 0.0055 -0.0084 96 VAL D N 11853 C CA . VAL D 96 ? 0.1058 0.0906 0.0967 0.0060 0.0055 -0.0083 96 VAL D CA 11854 C C . VAL D 96 ? 0.1057 0.0911 0.0958 0.0065 0.0059 -0.0088 96 VAL D C 11855 O O . VAL D 96 ? 0.1192 0.1053 0.1097 0.0069 0.0064 -0.0090 96 VAL D O 11856 C CB . VAL D 96 ? 0.1244 0.1097 0.1153 0.0055 0.0058 -0.0074 96 VAL D CB 11857 C CG1 . VAL D 96 ? 0.1843 0.1707 0.1759 0.0056 0.0064 -0.0071 96 VAL D CG1 11858 C CG2 . VAL D 96 ? 0.1670 0.1524 0.1568 0.0054 0.0059 -0.0071 96 VAL D CG2 11868 N N . SER D 97 ? 0.1159 0.1011 0.1049 0.0066 0.0057 -0.0092 97 SER D N 11869 C CA . SER D 97 ? 0.1012 0.0870 0.0892 0.0071 0.0060 -0.0097 97 SER D CA 11870 C C . SER D 97 ? 0.1042 0.0904 0.0910 0.0069 0.0062 -0.0092 97 SER D C 11871 O O . SER D 97 ? 0.1111 0.0968 0.0977 0.0065 0.0058 -0.0087 97 SER D O 11872 C CB . SER D 97 ? 0.1312 0.1163 0.1189 0.0074 0.0056 -0.0107 97 SER D CB 11873 O OG . SER D 97 ? 0.1325 0.1169 0.1195 0.0071 0.0050 -0.0107 97 SER D OG 11879 N N . TRP D 98 ? 0.1079 0.0950 0.0938 0.0072 0.0066 -0.0094 98 TRP D N 11880 C CA . TRP D 98 ? 0.1123 0.1000 0.0970 0.0071 0.0068 -0.0090 98 TRP D CA 11881 C C . TRP D 98 ? 0.1008 0.0892 0.0844 0.0077 0.0071 -0.0098 98 TRP D C 11882 O O . TRP D 98 ? 0.1139 0.1026 0.0977 0.0081 0.0074 -0.0103 98 TRP D O 11883 C CB . TRP D 98 ? 0.1414 0.1298 0.1263 0.0068 0.0073 -0.0080 98 TRP D CB 11884 C CG . TRP D 98 ? 0.1149 0.1038 0.0985 0.0067 0.0075 -0.0074 98 TRP D CG 11885 C CD1 . TRP D 98 ? 0.1280 0.1165 0.1110 0.0063 0.0071 -0.0069 98 TRP D CD1 11886 C CD2 . TRP D 98 ? 0.1125 0.1027 0.0953 0.0069 0.0081 -0.0073 98 TRP D CD2 11887 N NE1 . TRP D 98 ? 0.1396 0.1289 0.1215 0.0064 0.0075 -0.0064 98 TRP D NE1 11888 C CE2 . TRP D 98 ? 0.1277 0.1181 0.1094 0.0067 0.0081 -0.0067 98 TRP D CE2 11889 C CE3 . TRP D 98 ? 0.1560 0.1472 0.1389 0.0073 0.0087 -0.0077 98 TRP D CE3 11890 C CZ2 . TRP D 98 ? 0.1600 0.1516 0.1408 0.0068 0.0086 -0.0064 98 TRP D CZ2 11891 C CZ3 . TRP D 98 ? 0.1457 0.1381 0.1276 0.0075 0.0093 -0.0075 98 TRP D CZ3 11892 C CH2 . TRP D 98 ? 0.1532 0.1458 0.1341 0.0072 0.0092 -0.0068 98 TRP D CH2 11903 N N . GLU D 99 ? 0.1175 0.1059 0.0998 0.0076 0.0068 -0.0098 99 GLU D N 11904 C CA . GLU D 99 ? 0.1387 0.1276 0.1197 0.0081 0.0069 -0.0106 99 GLU D CA 11905 C C . GLU D 99 ? 0.1352 0.1251 0.1150 0.0080 0.0072 -0.0099 99 GLU D C 11906 O O . GLU D 99 ? 0.1484 0.1379 0.1277 0.0077 0.0068 -0.0093 99 GLU D O 11907 C CB . GLU D 99 ? 0.1764 0.1644 0.1570 0.0081 0.0062 -0.0114 99 GLU D CB 11908 C CG . GLU D 99 ? 0.2175 0.2059 0.1968 0.0086 0.0062 -0.0123 99 GLU D CG 11909 C CD . GLU D 99 ? 0.2713 0.2588 0.2504 0.0085 0.0054 -0.0131 99 GLU D CD 11910 O OE1 . GLU D 99 ? 0.3106 0.2976 0.2898 0.0088 0.0052 -0.0141 99 GLU D OE1 11911 O OE2 . GLU D 99 ? 0.1992 0.1865 0.1779 0.0081 0.0049 -0.0126 99 GLU D OE2 11918 N N . SER D 100 ? 0.1518 0.1429 0.1311 0.0083 0.0079 -0.0098 100 SER D N 11919 C CA . SER D 100 ? 0.1482 0.1403 0.1264 0.0081 0.0082 -0.0090 100 SER D CA 11920 C C . SER D 100 ? 0.1320 0.1241 0.1087 0.0082 0.0078 -0.0093 100 SER D C 11921 O O . SER D 100 ? 0.1600 0.1523 0.1361 0.0079 0.0077 -0.0084 100 SER D O 11922 C CB . SER D 100 ? 0.1820 0.1756 0.1597 0.0085 0.0091 -0.0091 100 SER D CB 11923 O OG . SER D 100 ? 0.1960 0.1905 0.1725 0.0084 0.0093 -0.0084 100 SER D OG 11929 N N . SER D 101 ? 0.1662 0.1580 0.1423 0.0086 0.0075 -0.0105 101 SER D N 11930 C CA . SER D 101 ? 0.1924 0.1845 0.1671 0.0087 0.0071 -0.0108 101 SER D CA 11931 C C . SER D 101 ? 0.1744 0.1657 0.1490 0.0082 0.0064 -0.0102 101 SER D C 11932 O O . SER D 101 ? 0.1934 0.1852 0.1669 0.0082 0.0062 -0.0098 101 SER D O 11933 C CB . SER D 101 ? 0.1949 0.1868 0.1691 0.0091 0.0069 -0.0123 101 SER D CB 11934 O OG . SER D 101 ? 0.2428 0.2334 0.2182 0.0091 0.0063 -0.0129 101 SER D OG 11940 N N . SER D 102 ? 0.1474 0.1375 0.1234 0.0080 0.0060 -0.0101 102 SER D N 11941 C CA . SER D 102 ? 0.1416 0.1310 0.1178 0.0076 0.0054 -0.0096 102 SER D CA 11942 C C . SER D 102 ? 0.1382 0.1274 0.1152 0.0072 0.0056 -0.0083 102 SER D C 11943 O O . SER D 102 ? 0.1566 0.1454 0.1336 0.0069 0.0052 -0.0077 102 SER D O 11944 C CB . SER D 102 ? 0.1532 0.1414 0.1302 0.0075 0.0047 -0.0103 102 SER D CB 11945 O OG . SER D 102 ? 0.1487 0.1364 0.1271 0.0075 0.0050 -0.0104 102 SER D OG 11951 N N . GLY D 103 ? 0.1258 0.1151 0.1036 0.0071 0.0061 -0.0081 103 GLY D N 11952 C CA . GLY D 103 ? 0.1336 0.1227 0.1125 0.0067 0.0063 -0.0071 103 GLY D CA 11953 C C . GLY D 103 ? 0.1100 0.0978 0.0901 0.0065 0.0059 -0.0072 103 GLY D C 11954 O O . GLY D 103 ? 0.1158 0.1032 0.0967 0.0061 0.0059 -0.0065 103 GLY D O 11958 N N . ILE D 104 ? 0.1222 0.1095 0.1025 0.0067 0.0054 -0.0082 104 ILE D N 11959 C CA . ILE D 104 ? 0.1080 0.0943 0.0895 0.0064 0.0049 -0.0082 104 ILE D CA 11960 C C . ILE D 104 ? 0.1127 0.0987 0.0955 0.0064 0.0052 -0.0083 104 ILE D C 11961 O O . ILE D 104 ? 0.1297 0.1161 0.1127 0.0067 0.0055 -0.0089 104 ILE D O 11962 C CB . ILE D 104 ? 0.1164 0.1021 0.0976 0.0066 0.0043 -0.0092 104 ILE D CB 11963 C CG1 . ILE D 104 ? 0.1349 0.1208 0.1151 0.0065 0.0038 -0.0091 104 ILE D CG1 11964 C CG2 . ILE D 104 ? 0.1416 0.1263 0.1242 0.0063 0.0038 -0.0093 104 ILE D CG2 11965 C CD1 . ILE D 104 ? 0.1792 0.1647 0.1595 0.0062 0.0036 -0.0082 104 ILE D CD1 11977 N N . ALA D 105 ? 0.1175 0.1030 0.1011 0.0060 0.0051 -0.0076 105 ALA D N 11978 C CA . ALA D 105 ? 0.1137 0.0990 0.0987 0.0058 0.0052 -0.0076 105 ALA D CA 11979 C C . ALA D 105 ? 0.1004 0.0848 0.0862 0.0057 0.0046 -0.0079 105 ALA D C 11980 O O . ALA D 105 ? 0.1329 0.1167 0.1185 0.0055 0.0042 -0.0076 105 ALA D O 11981 C CB . ALA D 105 ? 0.1297 0.1151 0.1151 0.0054 0.0056 -0.0066 105 ALA D CB 11987 N N . GLU D 106 ? 0.1250 0.1091 0.1116 0.0059 0.0046 -0.0084 106 GLU D N 11988 C CA . GLU D 106 ? 0.1179 0.1012 0.1054 0.0057 0.0040 -0.0087 106 GLU D CA 11989 C C . GLU D 106 ? 0.1248 0.1080 0.1135 0.0056 0.0042 -0.0084 106 GLU D C 11990 O O . GLU D 106 ? 0.1488 0.1323 0.1380 0.0058 0.0045 -0.0087 106 GLU D O 11991 C CB . GLU D 106 ? 0.1662 0.1491 0.1536 0.0061 0.0038 -0.0097 106 GLU D CB 11992 C CG . GLU D 106 ? 0.1919 0.1748 0.1782 0.0062 0.0035 -0.0102 106 GLU D CG 11993 C CD . GLU D 106 ? 0.2513 0.2337 0.2377 0.0065 0.0032 -0.0112 106 GLU D CD 11994 O OE1 . GLU D 106 ? 0.2060 0.1879 0.1935 0.0065 0.0031 -0.0115 106 GLU D OE1 11995 O OE2 . GLU D 106 ? 0.2820 0.2645 0.2673 0.0067 0.0030 -0.0118 106 GLU D OE2 12002 N N . PHE D 107 ? 0.1153 0.0981 0.1046 0.0052 0.0039 -0.0079 107 PHE D N 12003 C CA . PHE D 107 ? 0.0997 0.0824 0.0903 0.0050 0.0039 -0.0077 107 PHE D CA 12004 C C . PHE D 107 ? 0.1051 0.0870 0.0962 0.0050 0.0034 -0.0081 107 PHE D C 12005 O O . PHE D 107 ? 0.1203 0.1018 0.1111 0.0049 0.0029 -0.0082 107 PHE D O 12006 C CB . PHE D 107 ? 0.1245 0.1071 0.1153 0.0045 0.0039 -0.0069 107 PHE D CB 12007 C CG . PHE D 107 ? 0.1177 0.1009 0.1085 0.0044 0.0045 -0.0064 107 PHE D CG 12008 C CD1 . PHE D 107 ? 0.1096 0.0933 0.1013 0.0044 0.0048 -0.0063 107 PHE D CD1 12009 C CD2 . PHE D 107 ? 0.1199 0.1033 0.1099 0.0042 0.0047 -0.0059 107 PHE D CD2 12010 C CE1 . PHE D 107 ? 0.1399 0.1243 0.1317 0.0042 0.0053 -0.0058 107 PHE D CE1 12011 C CE2 . PHE D 107 ? 0.1065 0.0905 0.0966 0.0040 0.0052 -0.0054 107 PHE D CE2 12012 C CZ . PHE D 107 ? 0.1290 0.1135 0.1199 0.0040 0.0055 -0.0053 107 PHE D CZ 12022 N N . TRP D 108 ? 0.1018 0.0837 0.0940 0.0051 0.0034 -0.0083 108 TRP D N 12023 C CA . TRP D 108 ? 0.0905 0.0718 0.0835 0.0050 0.0030 -0.0085 108 TRP D CA 12024 C C . TRP D 108 ? 0.1018 0.0832 0.0958 0.0048 0.0031 -0.0080 108 TRP D C 12025 O O . TRP D 108 ? 0.1047 0.0867 0.0992 0.0049 0.0035 -0.0079 108 TRP D O 12026 C CB . TRP D 108 ? 0.1237 0.1047 0.1168 0.0054 0.0029 -0.0093 108 TRP D CB 12027 C CG . TRP D 108 ? 0.1351 0.1159 0.1271 0.0057 0.0028 -0.0099 108 TRP D CG 12028 C CD1 . TRP D 108 ? 0.1647 0.1461 0.1557 0.0059 0.0031 -0.0100 108 TRP D CD1 12029 C CD2 . TRP D 108 ? 0.1355 0.1156 0.1274 0.0057 0.0022 -0.0104 108 TRP D CD2 12030 N NE1 . TRP D 108 ? 0.1811 0.1622 0.1712 0.0060 0.0028 -0.0107 108 TRP D NE1 12031 C CE2 . TRP D 108 ? 0.1424 0.1227 0.1331 0.0059 0.0023 -0.0110 108 TRP D CE2 12032 C CE3 . TRP D 108 ? 0.1506 0.1300 0.1433 0.0055 0.0017 -0.0105 108 TRP D CE3 12033 C CZ2 . TRP D 108 ? 0.1525 0.1322 0.1428 0.0059 0.0018 -0.0116 108 TRP D CZ2 12034 C CZ3 . TRP D 108 ? 0.1683 0.1472 0.1606 0.0054 0.0012 -0.0111 108 TRP D CZ3 12035 C CH2 . TRP D 108 ? 0.1578 0.1369 0.1489 0.0057 0.0013 -0.0117 108 TRP D CH2 12046 N N . ILE D 109 ? 0.1111 0.0922 0.1056 0.0044 0.0027 -0.0077 109 ILE D N 12047 C CA . ILE D 109 ? 0.1114 0.0926 0.1068 0.0041 0.0027 -0.0072 109 ILE D CA 12048 C C . ILE D 109 ? 0.1181 0.0989 0.1144 0.0041 0.0023 -0.0073 109 ILE D C 12049 O O . ILE D 109 ? 0.1381 0.1184 0.1342 0.0040 0.0018 -0.0074 109 ILE D O 12050 C CB . ILE D 109 ? 0.1292 0.1105 0.1244 0.0037 0.0027 -0.0067 109 ILE D CB 12051 C CG1 . ILE D 109 ? 0.1543 0.1360 0.1486 0.0037 0.0031 -0.0064 109 ILE D CG1 12052 C CG2 . ILE D 109 ? 0.1624 0.1438 0.1585 0.0034 0.0026 -0.0062 109 ILE D CG2 12053 C CD1 . ILE D 109 ? 0.1638 0.1462 0.1584 0.0038 0.0036 -0.0063 109 ILE D CD1 12065 N N . ASN D 110 ? 0.1123 0.0933 0.1094 0.0043 0.0024 -0.0073 110 ASN D N 12066 C CA . ASN D 110 ? 0.1339 0.1144 0.1318 0.0043 0.0020 -0.0074 110 ASN D CA 12067 C C . ASN D 110 ? 0.1473 0.1271 0.1449 0.0045 0.0016 -0.0080 110 ASN D C 12068 O O . ASN D 110 ? 0.1913 0.1706 0.1892 0.0042 0.0012 -0.0080 110 ASN D O 12069 C CB . ASN D 110 ? 0.1818 0.1624 0.1803 0.0038 0.0017 -0.0069 110 ASN D CB 12070 C CG . ASN D 110 ? 0.1828 0.1641 0.1817 0.0036 0.0020 -0.0064 110 ASN D CG 12071 O OD1 . ASN D 110 ? 0.1668 0.1485 0.1661 0.0039 0.0023 -0.0064 110 ASN D OD1 12072 N ND2 . ASN D 110 ? 0.2364 0.2178 0.2352 0.0032 0.0019 -0.0060 110 ASN D ND2 12079 N N . GLY D 111 ? 0.1297 0.1095 0.1266 0.0048 0.0018 -0.0086 111 GLY D N 12080 C CA . GLY D 111 ? 0.1544 0.1335 0.1508 0.0050 0.0015 -0.0092 111 GLY D CA 12081 C C . GLY D 111 ? 0.1897 0.1686 0.1853 0.0047 0.0012 -0.0093 111 GLY D C 12082 O O . GLY D 111 ? 0.2412 0.2196 0.2364 0.0048 0.0009 -0.0098 111 GLY D O 12086 N N . THR D 112 ? 0.1499 0.1292 0.1452 0.0044 0.0013 -0.0087 112 THR D N 12087 C CA . THR D 112 ? 0.1567 0.1359 0.1513 0.0042 0.0010 -0.0087 112 THR D CA 12088 C C . THR D 112 ? 0.1351 0.1148 0.1286 0.0044 0.0013 -0.0087 112 THR D C 12089 O O . THR D 112 ? 0.1308 0.1109 0.1243 0.0043 0.0018 -0.0083 112 THR D O 12090 C CB A THR D 112 ? 0.2222 0.2014 0.2172 0.0038 0.0007 -0.0082 112 THR D CB 12091 C CB B THR D 112 ? 0.1410 0.1204 0.1360 0.0038 0.0008 -0.0080 112 THR D CB 12092 O OG1 A THR D 112 ? 0.1170 0.0967 0.1121 0.0037 0.0011 -0.0076 112 THR D OG1 12093 O OG1 B THR D 112 ? 0.2843 0.2633 0.2802 0.0036 0.0005 -0.0079 112 THR D OG1 12094 C CG2 A THR D 112 ? 0.1886 0.1675 0.1847 0.0037 0.0004 -0.0081 112 THR D CG2 12095 C CG2 B THR D 112 ? 0.2257 0.2050 0.2199 0.0037 0.0006 -0.0079 112 THR D CG2 12108 N N . PRO D 113 ? 0.1097 0.0892 0.1023 0.0045 0.0011 -0.0091 113 PRO D N 12109 C CA . PRO D 113 ? 0.1023 0.0823 0.0938 0.0046 0.0015 -0.0090 113 PRO D CA 12110 C C . PRO D 113 ? 0.1109 0.0911 0.1021 0.0043 0.0015 -0.0083 113 PRO D C 12111 O O . PRO D 113 ? 0.1213 0.1013 0.1127 0.0041 0.0010 -0.0081 113 PRO D O 12112 C CB . PRO D 113 ? 0.1072 0.0871 0.0979 0.0048 0.0011 -0.0097 113 PRO D CB 12113 C CG . PRO D 113 ? 0.1191 0.0984 0.1103 0.0045 0.0005 -0.0098 113 PRO D CG 12114 C CD . PRO D 113 ? 0.1261 0.1051 0.1186 0.0044 0.0006 -0.0096 113 PRO D CD 12122 N N . LEU D 114 ? 0.0988 0.0794 0.0896 0.0044 0.0019 -0.0079 114 LEU D N 12123 C CA . LEU D 114 ? 0.1074 0.0881 0.0978 0.0042 0.0020 -0.0073 114 LEU D CA 12124 C C . LEU D 114 ? 0.0900 0.0708 0.0792 0.0043 0.0019 -0.0074 114 LEU D C 12125 O O . LEU D 114 ? 0.1073 0.0883 0.0960 0.0046 0.0018 -0.0080 114 LEU D O 12126 C CB . LEU D 114 ? 0.1000 0.0811 0.0906 0.0040 0.0025 -0.0068 114 LEU D CB 12127 C CG . LEU D 114 ? 0.1580 0.1391 0.1497 0.0039 0.0026 -0.0066 114 LEU D CG 12128 C CD1 . LEU D 114 ? 0.1230 0.1044 0.1147 0.0036 0.0031 -0.0060 114 LEU D CD1 12129 C CD2 . LEU D 114 ? 0.1853 0.1660 0.1778 0.0037 0.0022 -0.0067 114 LEU D CD2 12141 N N . VAL D 115 ? 0.0897 0.0706 0.0786 0.0042 0.0018 -0.0069 115 VAL D N 12142 C CA . VAL D 115 ? 0.0883 0.0695 0.0760 0.0044 0.0018 -0.0068 115 VAL D CA 12143 C C . VAL D 115 ? 0.1056 0.0872 0.0926 0.0046 0.0023 -0.0069 115 VAL D C 12144 O O . VAL D 115 ? 0.1110 0.0928 0.0982 0.0045 0.0028 -0.0065 115 VAL D O 12145 C CB . VAL D 115 ? 0.0807 0.0617 0.0681 0.0043 0.0017 -0.0061 115 VAL D CB 12146 C CG1 . VAL D 115 ? 0.1169 0.0983 0.1032 0.0045 0.0016 -0.0060 115 VAL D CG1 12147 C CG2 . VAL D 115 ? 0.1087 0.0893 0.0969 0.0041 0.0012 -0.0061 115 VAL D CG2 12157 N N . LYS D 116 ? 0.1040 0.0859 0.0901 0.0049 0.0022 -0.0074 116 LYS D N 12158 C CA . LYS D 116 ? 0.1110 0.0936 0.0964 0.0051 0.0027 -0.0074 116 LYS D CA 12159 C C . LYS D 116 ? 0.1156 0.0984 0.1003 0.0050 0.0030 -0.0066 116 LYS D C 12160 O O . LYS D 116 ? 0.1300 0.1126 0.1144 0.0049 0.0026 -0.0062 116 LYS D O 12161 C CB . LYS D 116 ? 0.1201 0.1030 0.1045 0.0054 0.0025 -0.0081 116 LYS D CB 12162 C CG . LYS D 116 ? 0.1565 0.1390 0.1414 0.0055 0.0024 -0.0090 116 LYS D CG 12163 C CD . LYS D 116 ? 0.2169 0.1997 0.2009 0.0058 0.0020 -0.0098 116 LYS D CD 12164 C CE . LYS D 116 ? 0.2560 0.2384 0.2402 0.0060 0.0020 -0.0108 116 LYS D CE 12165 N NZ . LYS D 116 ? 0.1963 0.1780 0.1818 0.0058 0.0016 -0.0110 116 LYS D NZ 12179 N N . LYS D 117 ? 0.1093 0.0926 0.0938 0.0050 0.0035 -0.0063 117 LYS D N 12180 C CA . LYS D 117 ? 0.1074 0.0911 0.0912 0.0049 0.0039 -0.0055 117 LYS D CA 12181 C C . LYS D 117 ? 0.1423 0.1269 0.1252 0.0052 0.0043 -0.0057 117 LYS D C 12182 O O . LYS D 117 ? 0.1619 0.1468 0.1449 0.0055 0.0044 -0.0064 117 LYS D O 12183 C CB . LYS D 117 ? 0.1375 0.1210 0.1221 0.0046 0.0042 -0.0048 117 LYS D CB 12184 C CG . LYS D 117 ? 0.1158 0.0984 0.1013 0.0043 0.0038 -0.0047 117 LYS D CG 12185 C CD . LYS D 117 ? 0.1290 0.1113 0.1140 0.0043 0.0034 -0.0043 117 LYS D CD 12186 C CE . LYS D 117 ? 0.1328 0.1144 0.1186 0.0042 0.0029 -0.0043 117 LYS D CE 12187 N NZ . LYS D 117 ? 0.1338 0.1150 0.1204 0.0039 0.0031 -0.0039 117 LYS D NZ 12201 N N . GLY D 118 ? 0.1177 0.1027 0.0998 0.0052 0.0046 -0.0050 118 GLY D N 12202 C CA . GLY D 118 ? 0.1200 0.1060 0.1012 0.0054 0.0050 -0.0051 118 GLY D CA 12203 C C . GLY D 118 ? 0.1225 0.1090 0.1035 0.0052 0.0056 -0.0042 118 GLY D C 12204 O O . GLY D 118 ? 0.1613 0.1474 0.1423 0.0050 0.0055 -0.0033 118 GLY D O 12208 N N . LEU D 119 ? 0.1067 0.0940 0.0875 0.0054 0.0062 -0.0043 119 LEU D N 12209 C CA . LEU D 119 ? 0.1212 0.1092 0.1018 0.0052 0.0068 -0.0035 119 LEU D CA 12210 C C . LEU D 119 ? 0.1224 0.1116 0.1024 0.0055 0.0073 -0.0038 119 LEU D C 12211 O O . LEU D 119 ? 0.1312 0.1207 0.1113 0.0059 0.0073 -0.0047 119 LEU D O 12212 C CB . LEU D 119 ? 0.1344 0.1220 0.1163 0.0048 0.0070 -0.0030 119 LEU D CB 12213 C CG . LEU D 119 ? 0.1319 0.1198 0.1147 0.0048 0.0073 -0.0036 119 LEU D CG 12214 C CD1 . LEU D 119 ? 0.1507 0.1385 0.1347 0.0043 0.0075 -0.0029 119 LEU D CD1 12215 C CD2 . LEU D 119 ? 0.1300 0.1173 0.1134 0.0051 0.0068 -0.0045 119 LEU D CD2 12227 N N . ARG D 120 ? 0.1392 0.1292 0.1184 0.0054 0.0078 -0.0030 120 ARG D N 12228 C CA . ARG D 120 ? 0.1395 0.1309 0.1183 0.0057 0.0084 -0.0032 120 ARG D CA 12229 C C . ARG D 120 ? 0.1531 0.1450 0.1310 0.0062 0.0083 -0.0042 120 ARG D C 12230 O O . ARG D 120 ? 0.1494 0.1422 0.1273 0.0066 0.0088 -0.0048 120 ARG D O 12231 C CB . ARG D 120 ? 0.1363 0.1279 0.1163 0.0056 0.0089 -0.0032 120 ARG D CB 12232 C CG . ARG D 120 ? 0.1711 0.1627 0.1519 0.0050 0.0092 -0.0021 120 ARG D CG 12233 C CD . ARG D 120 ? 0.2600 0.2528 0.2399 0.0049 0.0097 -0.0013 120 ARG D CD 12234 N NE . ARG D 120 ? 0.2464 0.2395 0.2270 0.0044 0.0102 -0.0005 120 ARG D NE 12235 C CZ . ARG D 120 ? 0.2280 0.2221 0.2081 0.0042 0.0108 0.0003 120 ARG D CZ 12236 N NH1 . ARG D 120 ? 0.2464 0.2413 0.2251 0.0045 0.0109 0.0004 120 ARG D NH1 12237 N NH2 . ARG D 120 ? 0.2248 0.2193 0.2058 0.0037 0.0112 0.0011 120 ARG D NH2 12251 N N . GLN D 121 ? 0.1570 0.1485 0.1340 0.0064 0.0078 -0.0044 121 GLN D N 12252 C CA . GLN D 121 ? 0.1578 0.1498 0.1337 0.0069 0.0076 -0.0054 121 GLN D CA 12253 C C . GLN D 121 ? 0.1583 0.1518 0.1332 0.0071 0.0083 -0.0053 121 GLN D C 12254 O O . GLN D 121 ? 0.2017 0.1959 0.1761 0.0069 0.0086 -0.0042 121 GLN D O 12255 C CB . GLN D 121 ? 0.1803 0.1719 0.1553 0.0069 0.0070 -0.0054 121 GLN D CB 12256 C CG . GLN D 121 ? 0.1755 0.1677 0.1495 0.0073 0.0067 -0.0065 121 GLN D CG 12257 C CD . GLN D 121 ? 0.2371 0.2288 0.2102 0.0073 0.0060 -0.0066 121 GLN D CD 12258 O OE1 . GLN D 121 ? 0.2478 0.2394 0.2207 0.0070 0.0058 -0.0056 121 GLN D OE1 12259 N NE2 . GLN D 121 ? 0.2028 0.1945 0.1755 0.0075 0.0056 -0.0077 121 GLN D NE2 12268 N N . GLY D 122 ? 0.1623 0.1564 0.1371 0.0076 0.0086 -0.0063 122 GLY D N 12269 C CA . GLY D 122 ? 0.1726 0.1682 0.1464 0.0079 0.0093 -0.0064 122 GLY D CA 12270 C C . GLY D 122 ? 0.1745 0.1710 0.1492 0.0078 0.0101 -0.0059 122 GLY D C 12271 O O . GLY D 122 ? 0.2208 0.2186 0.1948 0.0081 0.0107 -0.0060 122 GLY D O 12275 N N . TYR D 123 ? 0.1724 0.1681 0.1486 0.0074 0.0100 -0.0054 123 TYR D N 12276 C CA . TYR D 123 ? 0.1674 0.1638 0.1445 0.0072 0.0107 -0.0048 123 TYR D CA 12277 C C . TYR D 123 ? 0.1974 0.1941 0.1753 0.0077 0.0110 -0.0058 123 TYR D C 12278 O O . TYR D 123 ? 0.1933 0.1890 0.1713 0.0079 0.0105 -0.0068 123 TYR D O 12279 C CB . TYR D 123 ? 0.1941 0.1895 0.1724 0.0066 0.0105 -0.0039 123 TYR D CB 12280 C CG . TYR D 123 ? 0.1988 0.1948 0.1782 0.0062 0.0110 -0.0032 123 TYR D CG 12281 C CD1 . TYR D 123 ? 0.2272 0.2242 0.2062 0.0059 0.0116 -0.0022 123 TYR D CD1 12282 C CD2 . TYR D 123 ? 0.1620 0.1576 0.1428 0.0061 0.0110 -0.0035 123 TYR D CD2 12283 C CE1 . TYR D 123 ? 0.2346 0.2323 0.2146 0.0055 0.0121 -0.0015 123 TYR D CE1 12284 C CE2 . TYR D 123 ? 0.1808 0.1771 0.1626 0.0058 0.0115 -0.0029 123 TYR D CE2 12285 C CZ . TYR D 123 ? 0.2409 0.2383 0.2224 0.0055 0.0121 -0.0019 123 TYR D CZ 12286 O OH . TYR D 123 ? 0.2568 0.2549 0.2392 0.0051 0.0126 -0.0013 123 TYR D OH 12296 N N . PHE D 124 ? 0.1908 0.1887 0.1692 0.0077 0.0117 -0.0055 124 PHE D N 12297 C CA . PHE D 124 ? 0.1523 0.1505 0.1316 0.0081 0.0120 -0.0063 124 PHE D CA 12298 C C . PHE D 124 ? 0.1844 0.1827 0.1653 0.0077 0.0122 -0.0055 124 PHE D C 12299 O O . PHE D 124 ? 0.2011 0.2002 0.1821 0.0072 0.0127 -0.0045 124 PHE D O 12300 C CB . PHE D 124 ? 0.2525 0.2523 0.2311 0.0087 0.0127 -0.0067 124 PHE D CB 12301 C CG . PHE D 124 ? 0.3840 0.3839 0.3611 0.0093 0.0125 -0.0077 124 PHE D CG 12302 C CD1 . PHE D 124 ? 0.5663 0.5662 0.5434 0.0100 0.0126 -0.0091 124 PHE D CD1 12303 C CD2 . PHE D 124 ? 0.5289 0.5289 0.5046 0.0091 0.0123 -0.0073 124 PHE D CD2 12304 C CE1 . PHE D 124 ? 0.6265 0.6265 0.6022 0.0104 0.0124 -0.0100 124 PHE D CE1 12305 C CE2 . PHE D 124 ? 0.5554 0.5556 0.5297 0.0096 0.0121 -0.0083 124 PHE D CE2 12306 C CZ . PHE D 124 ? 0.6005 0.6006 0.5747 0.0102 0.0121 -0.0097 124 PHE D CZ 12316 N N . VAL D 125 ? 0.1903 0.1876 0.1725 0.0077 0.0119 -0.0060 125 VAL D N 12317 C CA . VAL D 125 ? 0.1715 0.1689 0.1552 0.0073 0.0120 -0.0054 125 VAL D CA 12318 C C . VAL D 125 ? 0.1731 0.1723 0.1572 0.0076 0.0129 -0.0054 125 VAL D C 12319 O O . VAL D 125 ? 0.1961 0.1957 0.1800 0.0084 0.0131 -0.0064 125 VAL D O 12320 C CB . VAL D 125 ? 0.1538 0.1500 0.1387 0.0073 0.0115 -0.0060 125 VAL D CB 12321 C CG1 . VAL D 125 ? 0.1926 0.1892 0.1790 0.0071 0.0117 -0.0055 125 VAL D CG1 12322 C CG2 . VAL D 125 ? 0.2071 0.2017 0.1917 0.0069 0.0108 -0.0058 125 VAL D CG2 12332 N N . GLU D 126 ? 0.1675 0.1676 0.1520 0.0071 0.0133 -0.0044 126 GLU D N 12333 C CA . GLU D 126 ? 0.1719 0.1739 0.1568 0.0074 0.0141 -0.0043 126 GLU D CA 12334 C C . GLU D 126 ? 0.1812 0.1834 0.1674 0.0078 0.0142 -0.0049 126 GLU D C 12335 O O . GLU D 126 ? 0.1916 0.1927 0.1789 0.0076 0.0137 -0.0050 126 GLU D O 12336 C CB . GLU D 126 ? 0.2117 0.2145 0.1969 0.0067 0.0145 -0.0030 126 GLU D CB 12337 C CG . GLU D 126 ? 0.4590 0.4633 0.4431 0.0067 0.0152 -0.0025 126 GLU D CG 12338 C CD . GLU D 126 ? 0.3754 0.3813 0.3589 0.0076 0.0158 -0.0033 126 GLU D CD 12339 O OE1 . GLU D 126 ? 0.4299 0.4367 0.4144 0.0080 0.0162 -0.0037 126 GLU D OE1 12340 O OE2 . GLU D 126 ? 0.5342 0.5405 0.5163 0.0079 0.0159 -0.0035 126 GLU D OE2 12347 N N . ALA D 127 ? 0.2243 0.2280 0.2105 0.0085 0.0149 -0.0053 127 ALA D N 12348 C CA . ALA D 127 ? 0.2127 0.2169 0.2002 0.0090 0.0151 -0.0058 127 ALA D CA 12349 C C . ALA D 127 ? 0.1622 0.1677 0.1511 0.0085 0.0156 -0.0048 127 ALA D C 12350 O O . ALA D 127 ? 0.1875 0.1934 0.1764 0.0077 0.0157 -0.0038 127 ALA D O 12351 C CB . ALA D 127 ? 0.3227 0.3280 0.3096 0.0100 0.0156 -0.0067 127 ALA D CB 12357 N N . GLN D 128 ? 0.1759 0.1822 0.1660 0.0090 0.0159 -0.0052 128 GLN D N 12358 C CA . GLN D 128 ? 0.1646 0.1722 0.1562 0.0087 0.0162 -0.0045 128 GLN D CA 12359 C C . GLN D 128 ? 0.1747 0.1813 0.1671 0.0077 0.0157 -0.0037 128 GLN D C 12360 O O . GLN D 128 ? 0.1948 0.2022 0.1875 0.0069 0.0159 -0.0027 128 GLN D O 12361 C CB . GLN D 128 ? 0.1844 0.1942 0.1757 0.0086 0.0171 -0.0038 128 GLN D CB 12362 C CG . GLN D 128 ? 0.2876 0.2986 0.2783 0.0097 0.0177 -0.0047 128 GLN D CG 12363 C CD . GLN D 128 ? 0.5297 0.5431 0.5202 0.0097 0.0186 -0.0041 128 GLN D CD 12364 O OE1 . GLN D 128 ? 0.6343 0.6482 0.6248 0.0088 0.0188 -0.0030 128 GLN D OE1 12365 N NE2 . GLN D 128 ? 0.5753 0.5900 0.5657 0.0107 0.0193 -0.0048 128 GLN D NE2 12374 N N . PRO D 129 ? 0.1488 0.1537 0.1415 0.0076 0.0149 -0.0041 129 PRO D N 12375 C CA . PRO D 129 ? 0.1524 0.1563 0.1458 0.0067 0.0144 -0.0035 129 PRO D CA 12376 C C . PRO D 129 ? 0.1397 0.1444 0.1348 0.0065 0.0145 -0.0031 129 PRO D C 12377 O O . PRO D 129 ? 0.1916 0.1973 0.1875 0.0071 0.0148 -0.0035 129 PRO D O 12378 C CB . PRO D 129 ? 0.1442 0.1461 0.1373 0.0070 0.0136 -0.0042 129 PRO D CB 12379 C CG . PRO D 129 ? 0.1610 0.1632 0.1543 0.0080 0.0138 -0.0052 129 PRO D CG 12380 C CD . PRO D 129 ? 0.1767 0.1804 0.1691 0.0084 0.0146 -0.0053 129 PRO D CD 12388 N N . LYS D 130 ? 0.1305 0.1347 0.1261 0.0055 0.0142 -0.0023 130 LYS D N 12389 C CA A LYS D 130 ? 0.1277 0.1319 0.1248 0.0052 0.0139 -0.0021 130 LYS D CA 12390 C CA B LYS D 130 ? 0.1286 0.1329 0.1257 0.0052 0.0139 -0.0021 130 LYS D CA 12391 C C . LYS D 130 ? 0.1060 0.1082 0.1030 0.0050 0.0130 -0.0024 130 LYS D C 12392 O O . LYS D 130 ? 0.1080 0.1090 0.1041 0.0045 0.0127 -0.0022 130 LYS D O 12393 C CB A LYS D 130 ? 0.1195 0.1249 0.1174 0.0043 0.0141 -0.0011 130 LYS D CB 12394 C CB B LYS D 130 ? 0.1717 0.1767 0.1694 0.0042 0.0140 -0.0010 130 LYS D CB 12395 C CG A LYS D 130 ? 0.1496 0.1572 0.1479 0.0045 0.0149 -0.0008 130 LYS D CG 12396 C CG B LYS D 130 ? 0.2306 0.2377 0.2285 0.0042 0.0148 -0.0005 130 LYS D CG 12397 C CD A LYS D 130 ? 0.2498 0.2587 0.2495 0.0052 0.0151 -0.0011 130 LYS D CD 12398 C CD B LYS D 130 ? 0.2012 0.2098 0.2005 0.0047 0.0151 -0.0008 130 LYS D CD 12399 C CE A LYS D 130 ? 0.3525 0.3637 0.3526 0.0053 0.0160 -0.0006 130 LYS D CE 12400 C CE B LYS D 130 ? 0.2481 0.2591 0.2480 0.0045 0.0159 -0.0001 130 LYS D CE 12401 N NZ A LYS D 130 ? 0.3691 0.3811 0.3698 0.0041 0.0161 0.0005 130 LYS D NZ 12402 N NZ B LYS D 130 ? 0.2701 0.2825 0.2715 0.0049 0.0161 -0.0002 130 LYS D NZ 12429 N N . ILE D 131 ? 0.1215 0.1233 0.1193 0.0055 0.0127 -0.0029 131 ILE D N 12430 C CA . ILE D 131 ? 0.1118 0.1118 0.1096 0.0054 0.0120 -0.0033 131 ILE D CA 12431 C C . ILE D 131 ? 0.1126 0.1127 0.1117 0.0049 0.0117 -0.0029 131 ILE D C 12432 O O . ILE D 131 ? 0.1270 0.1283 0.1273 0.0052 0.0119 -0.0029 131 ILE D O 12433 C CB . ILE D 131 ? 0.1210 0.1203 0.1185 0.0063 0.0118 -0.0043 131 ILE D CB 12434 C CG1 . ILE D 131 ? 0.1357 0.1351 0.1318 0.0068 0.0122 -0.0047 131 ILE D CG1 12435 C CG2 . ILE D 131 ? 0.1128 0.1104 0.1104 0.0062 0.0110 -0.0046 131 ILE D CG2 12436 C CD1 . ILE D 131 ? 0.1684 0.1672 0.1642 0.0078 0.0120 -0.0058 131 ILE D CD1 12448 N N . VAL D 132 ? 0.0902 0.0892 0.0892 0.0042 0.0112 -0.0026 132 VAL D N 12449 C CA . VAL D 132 ? 0.1027 0.1018 0.1029 0.0036 0.0108 -0.0022 132 VAL D CA 12450 C C . VAL D 132 ? 0.1011 0.0986 0.1012 0.0035 0.0101 -0.0025 132 VAL D C 12451 O O . VAL D 132 ? 0.1147 0.1109 0.1138 0.0033 0.0098 -0.0026 132 VAL D O 12452 C CB . VAL D 132 ? 0.1088 0.1084 0.1090 0.0026 0.0110 -0.0014 132 VAL D CB 12453 C CG1 . VAL D 132 ? 0.1315 0.1311 0.1328 0.0019 0.0106 -0.0010 132 VAL D CG1 12454 C CG2 . VAL D 132 ? 0.1154 0.1169 0.1159 0.0027 0.0117 -0.0010 132 VAL D CG2 12464 N N . LEU D 133 ? 0.1082 0.1059 0.1095 0.0036 0.0098 -0.0026 133 LEU D N 12465 C CA . LEU D 133 ? 0.1094 0.1058 0.1108 0.0033 0.0092 -0.0026 133 LEU D CA 12466 C C . LEU D 133 ? 0.0998 0.0968 0.1021 0.0024 0.0090 -0.0020 133 LEU D C 12467 O O . LEU D 133 ? 0.1111 0.1096 0.1143 0.0023 0.0093 -0.0017 133 LEU D O 12468 C CB . LEU D 133 ? 0.1087 0.1050 0.1109 0.0039 0.0089 -0.0031 133 LEU D CB 12469 C CG . LEU D 133 ? 0.0977 0.0934 0.0993 0.0048 0.0090 -0.0038 133 LEU D CG 12470 C CD1 . LEU D 133 ? 0.1442 0.1396 0.1467 0.0054 0.0087 -0.0041 133 LEU D CD1 12471 C CD2 . LEU D 133 ? 0.1334 0.1277 0.1337 0.0048 0.0087 -0.0041 133 LEU D CD2 12483 N N . GLY D 134 ? 0.0935 0.0893 0.0954 0.0018 0.0086 -0.0019 134 GLY D N 12484 C CA . GLY D 134 ? 0.1009 0.0971 0.1035 0.0010 0.0084 -0.0015 134 GLY D CA 12485 C C . GLY D 134 ? 0.0929 0.0889 0.0950 0.0002 0.0085 -0.0010 134 GLY D C 12486 O O . GLY D 134 ? 0.1062 0.1019 0.1085 -0.0005 0.0082 -0.0008 134 GLY D O 12490 N N . GLN D 135 ? 0.1107 0.1070 0.1121 0.0003 0.0090 -0.0009 135 GLN D N 12491 C CA . GLN D 135 ? 0.1160 0.1121 0.1169 -0.0004 0.0092 -0.0004 135 GLN D CA 12492 C C . GLN D 135 ? 0.1152 0.1107 0.1149 -0.0001 0.0094 -0.0005 135 GLN D C 12493 O O . GLN D 135 ? 0.1243 0.1199 0.1236 0.0007 0.0095 -0.0009 135 GLN D O 12494 C CB . GLN D 135 ? 0.1115 0.1093 0.1132 -0.0008 0.0096 0.0002 135 GLN D CB 12495 C CG . GLN D 135 ? 0.1197 0.1185 0.1227 -0.0012 0.0094 0.0003 135 GLN D CG 12496 C CD . GLN D 135 ? 0.1184 0.1164 0.1216 -0.0021 0.0090 0.0005 135 GLN D CD 12497 O OE1 . GLN D 135 ? 0.1293 0.1262 0.1317 -0.0026 0.0089 0.0007 135 GLN D OE1 12498 N NE2 . GLN D 135 ? 0.1053 0.1037 0.1093 -0.0023 0.0086 0.0004 135 GLN D NE2 12507 N N . GLU D 136 ? 0.1039 0.0985 0.1028 -0.0006 0.0094 -0.0001 136 GLU D N 12508 C CA . GLU D 136 ? 0.0989 0.0931 0.0967 -0.0004 0.0096 0.0000 136 GLU D CA 12509 C C . GLU D 136 ? 0.1155 0.1109 0.1133 -0.0008 0.0102 0.0006 136 GLU D C 12510 O O . GLU D 136 ? 0.1316 0.1274 0.1300 -0.0016 0.0103 0.0011 136 GLU D O 12511 C CB . GLU D 136 ? 0.1286 0.1211 0.1257 -0.0009 0.0092 0.0001 136 GLU D CB 12512 C CG . GLU D 136 ? 0.1289 0.1205 0.1247 -0.0005 0.0092 0.0000 136 GLU D CG 12513 C CD . GLU D 136 ? 0.1181 0.1103 0.1132 -0.0006 0.0097 0.0005 136 GLU D CD 12514 O OE1 . GLU D 136 ? 0.1263 0.1186 0.1217 -0.0013 0.0099 0.0012 136 GLU D OE1 12515 O OE2 . GLU D 136 ? 0.1172 0.1097 0.1116 0.0000 0.0099 0.0003 136 GLU D OE2 12522 N N . GLN D 137 ? 0.0989 0.0951 0.0961 -0.0002 0.0107 0.0005 137 GLN D N 12523 C CA . GLN D 137 ? 0.0864 0.0840 0.0837 -0.0004 0.0113 0.0011 137 GLN D CA 12524 C C . GLN D 137 ? 0.1152 0.1120 0.1115 -0.0009 0.0114 0.0016 137 GLN D C 12525 O O . GLN D 137 ? 0.1104 0.1060 0.1056 -0.0005 0.0112 0.0014 137 GLN D O 12526 C CB . GLN D 137 ? 0.1092 0.1079 0.1062 0.0004 0.0118 0.0008 137 GLN D CB 12527 C CG . GLN D 137 ? 0.1173 0.1171 0.1154 0.0010 0.0118 0.0003 137 GLN D CG 12528 C CD . GLN D 137 ? 0.1552 0.1558 0.1527 0.0020 0.0123 -0.0002 137 GLN D CD 12529 O OE1 . GLN D 137 ? 0.1738 0.1759 0.1714 0.0021 0.0129 0.0001 137 GLN D OE1 12530 N NE2 . GLN D 137 ? 0.1097 0.1093 0.1067 0.0026 0.0120 -0.0010 137 GLN D NE2 12539 N N . ASP D 138 ? 0.1169 0.1143 0.1135 -0.0016 0.0117 0.0024 138 ASP D N 12540 C CA . ASP D 138 ? 0.1223 0.1194 0.1180 -0.0020 0.0120 0.0031 138 ASP D CA 12541 C C . ASP D 138 ? 0.1463 0.1452 0.1419 -0.0019 0.0127 0.0036 138 ASP D C 12542 O O . ASP D 138 ? 0.1486 0.1474 0.1433 -0.0021 0.0130 0.0041 138 ASP D O 12543 C CB . ASP D 138 ? 0.1435 0.1395 0.1394 -0.0030 0.0117 0.0037 138 ASP D CB 12544 C CG . ASP D 138 ? 0.1233 0.1173 0.1188 -0.0030 0.0111 0.0033 138 ASP D CG 12545 O OD1 . ASP D 138 ? 0.1305 0.1239 0.1253 -0.0022 0.0108 0.0027 138 ASP D OD1 12546 O OD2 . ASP D 138 ? 0.1686 0.1618 0.1646 -0.0037 0.0108 0.0035 138 ASP D OD2 12551 N N . SER D 139 ? 0.1257 0.1262 0.1222 -0.0017 0.0130 0.0034 139 SER D N 12552 C CA . SER D 139 ? 0.1494 0.1519 0.1459 -0.0014 0.0138 0.0037 139 SER D CA 12553 C C . SER D 139 ? 0.1676 0.1709 0.1640 -0.0003 0.0139 0.0029 139 SER D C 12554 O O . SER D 139 ? 0.1449 0.1472 0.1413 0.0002 0.0135 0.0021 139 SER D O 12555 C CB . SER D 139 ? 0.1568 0.1607 0.1545 -0.0022 0.0141 0.0044 139 SER D CB 12556 O OG . SER D 139 ? 0.1744 0.1790 0.1733 -0.0020 0.0139 0.0040 139 SER D OG 12562 N N . TYR D 140 ? 0.1596 0.1648 0.1561 0.0000 0.0146 0.0031 140 TYR D N 12563 C CA . TYR D 140 ? 0.1439 0.1499 0.1404 0.0011 0.0148 0.0022 140 TYR D CA 12564 C C . TYR D 140 ? 0.1637 0.1705 0.1618 0.0011 0.0148 0.0020 140 TYR D C 12565 O O . TYR D 140 ? 0.1865 0.1952 0.1855 0.0010 0.0152 0.0025 140 TYR D O 12566 C CB . TYR D 140 ? 0.1420 0.1497 0.1379 0.0015 0.0156 0.0024 140 TYR D CB 12567 C CG . TYR D 140 ? 0.1511 0.1597 0.1469 0.0027 0.0159 0.0015 140 TYR D CG 12568 C CD1 . TYR D 140 ? 0.1742 0.1813 0.1690 0.0034 0.0155 0.0006 140 TYR D CD1 12569 C CD2 . TYR D 140 ? 0.1552 0.1659 0.1517 0.0031 0.0166 0.0016 140 TYR D CD2 12570 C CE1 . TYR D 140 ? 0.1601 0.1679 0.1548 0.0045 0.0157 -0.0003 140 TYR D CE1 12571 C CE2 . TYR D 140 ? 0.1796 0.1909 0.1759 0.0042 0.0168 0.0007 140 TYR D CE2 12572 C CZ . TYR D 140 ? 0.1704 0.1802 0.1658 0.0049 0.0164 -0.0002 140 TYR D CZ 12573 O OH . TYR D 140 ? 0.2059 0.2163 0.2011 0.0060 0.0167 -0.0011 140 TYR D OH 12583 N N . GLY D 141 ? 0.1297 0.1352 0.1281 0.0012 0.0141 0.0015 141 GLY D N 12584 C CA . GLY D 141 ? 0.1654 0.1715 0.1652 0.0013 0.0139 0.0013 141 GLY D CA 12585 C C . GLY D 141 ? 0.1709 0.1765 0.1716 0.0003 0.0135 0.0018 141 GLY D C 12586 O O . GLY D 141 ? 0.2427 0.2489 0.2446 0.0004 0.0133 0.0016 141 GLY D O 12590 N N . GLY D 142 ? 0.1397 0.1443 0.1399 -0.0005 0.0133 0.0023 142 GLY D N 12591 C CA . GLY D 142 ? 0.1398 0.1441 0.1408 -0.0015 0.0130 0.0027 142 GLY D CA 12592 C C . GLY D 142 ? 0.1392 0.1417 0.1394 -0.0022 0.0126 0.0030 142 GLY D C 12593 O O . GLY D 142 ? 0.1384 0.1395 0.1376 -0.0019 0.0123 0.0027 142 GLY D O 12597 N N . LYS D 143 ? 0.1657 0.1683 0.1665 -0.0033 0.0125 0.0037 143 LYS D N 12598 C CA . LYS D 143 ? 0.1378 0.1387 0.1381 -0.0041 0.0122 0.0040 143 LYS D CA 12599 C C . LYS D 143 ? 0.1418 0.1409 0.1418 -0.0038 0.0115 0.0033 143 LYS D C 12600 O O . LYS D 143 ? 0.1623 0.1599 0.1612 -0.0036 0.0113 0.0032 143 LYS D O 12601 C CB . LYS D 143 ? 0.1886 0.1890 0.1878 -0.0042 0.0125 0.0045 143 LYS D CB 12602 C CG . LYS D 143 ? 0.3358 0.3378 0.3353 -0.0048 0.0131 0.0053 143 LYS D CG 12603 C CD . LYS D 143 ? 0.5208 0.5220 0.5193 -0.0051 0.0133 0.0060 143 LYS D CD 12604 C CE . LYS D 143 ? 0.4710 0.4699 0.4691 -0.0057 0.0128 0.0061 143 LYS D CE 12605 N NZ . LYS D 143 ? 0.5327 0.5319 0.5320 -0.0068 0.0126 0.0064 143 LYS D NZ 12619 N N . PHE D 144 ? 0.1436 0.1430 0.1445 -0.0038 0.0112 0.0029 144 PHE D N 12620 C CA . PHE D 144 ? 0.1325 0.1305 0.1333 -0.0036 0.0105 0.0023 144 PHE D CA 12621 C C . PHE D 144 ? 0.1583 0.1549 0.1590 -0.0044 0.0101 0.0025 144 PHE D C 12622 O O . PHE D 144 ? 0.1713 0.1681 0.1722 -0.0053 0.0103 0.0031 144 PHE D O 12623 C CB . PHE D 144 ? 0.1253 0.1244 0.1273 -0.0033 0.0104 0.0020 144 PHE D CB 12624 C CG . PHE D 144 ? 0.1281 0.1285 0.1303 -0.0024 0.0108 0.0018 144 PHE D CG 12625 C CD1 . PHE D 144 ? 0.1327 0.1327 0.1339 -0.0016 0.0110 0.0014 144 PHE D CD1 12626 C CD2 . PHE D 144 ? 0.1567 0.1588 0.1601 -0.0023 0.0109 0.0018 144 PHE D CD2 12627 C CE1 . PHE D 144 ? 0.1402 0.1414 0.1416 -0.0007 0.0114 0.0011 144 PHE D CE1 12628 C CE2 . PHE D 144 ? 0.1919 0.1953 0.1956 -0.0014 0.0113 0.0016 144 PHE D CE2 12629 C CZ . PHE D 144 ? 0.1476 0.1505 0.1503 -0.0006 0.0115 0.0012 144 PHE D CZ 12639 N N . ASP D 145 ? 0.1335 0.1286 0.1339 -0.0042 0.0096 0.0020 145 ASP D N 12640 C CA . ASP D 145 ? 0.1404 0.1340 0.1405 -0.0049 0.0092 0.0020 145 ASP D CA 12641 C C . ASP D 145 ? 0.1492 0.1424 0.1498 -0.0047 0.0086 0.0015 145 ASP D C 12642 O O . ASP D 145 ? 0.1401 0.1328 0.1403 -0.0040 0.0084 0.0010 145 ASP D O 12643 C CB . ASP D 145 ? 0.1413 0.1334 0.1402 -0.0046 0.0091 0.0021 145 ASP D CB 12644 C CG . ASP D 145 ? 0.1693 0.1597 0.1679 -0.0052 0.0087 0.0021 145 ASP D CG 12645 O OD1 . ASP D 145 ? 0.1839 0.1741 0.1831 -0.0056 0.0084 0.0018 145 ASP D OD1 12646 O OD2 . ASP D 145 ? 0.1921 0.1813 0.1898 -0.0051 0.0087 0.0022 145 ASP D OD2 12651 N N . ARG D 146 ? 0.1475 0.1410 0.1489 -0.0054 0.0084 0.0015 146 ARG D N 12652 C CA . ARG D 146 ? 0.1514 0.1447 0.1532 -0.0054 0.0079 0.0011 146 ARG D CA 12653 C C . ARG D 146 ? 0.1577 0.1493 0.1587 -0.0050 0.0075 0.0006 146 ARG D C 12654 O O . ARG D 146 ? 0.1381 0.1296 0.1392 -0.0045 0.0072 0.0002 146 ARG D O 12655 C CB . ARG D 146 ? 0.2418 0.2355 0.2444 -0.0064 0.0077 0.0012 146 ARG D CB 12656 C CG . ARG D 146 ? 0.2718 0.2655 0.2749 -0.0064 0.0072 0.0008 146 ARG D CG 12657 C CD . ARG D 146 ? 0.3023 0.2961 0.3058 -0.0075 0.0070 0.0010 146 ARG D CD 12658 N NE . ARG D 146 ? 0.3653 0.3593 0.3693 -0.0076 0.0065 0.0006 146 ARG D NE 12659 C CZ . ARG D 146 ? 0.3931 0.3887 0.3981 -0.0078 0.0064 0.0007 146 ARG D CZ 12660 N NH1 . ARG D 146 ? 0.3812 0.3784 0.3869 -0.0079 0.0067 0.0011 146 ARG D NH1 12661 N NH2 . ARG D 146 ? 0.4740 0.4697 0.4793 -0.0078 0.0059 0.0004 146 ARG D NH2 12675 N N . SER D 147 ? 0.1526 0.1428 0.1527 -0.0052 0.0075 0.0008 147 SER D N 12676 C CA . SER D 147 ? 0.1454 0.1341 0.1448 -0.0049 0.0071 0.0004 147 SER D CA 12677 C C . SER D 147 ? 0.1308 0.1193 0.1296 -0.0040 0.0072 0.0001 147 SER D C 12678 O O . SER D 147 ? 0.1577 0.1450 0.1560 -0.0036 0.0068 -0.0002 147 SER D O 12679 C CB . SER D 147 ? 0.1865 0.1737 0.1853 -0.0054 0.0071 0.0007 147 SER D CB 12680 O OG . SER D 147 ? 0.2041 0.1912 0.2022 -0.0053 0.0075 0.0011 147 SER D OG 12686 N N . GLN D 148 ? 0.1274 0.1169 0.1263 -0.0035 0.0075 0.0002 148 GLN D N 12687 C CA . GLN D 148 ? 0.1093 0.0988 0.1077 -0.0026 0.0076 -0.0001 148 GLN D CA 12688 C C . GLN D 148 ? 0.1290 0.1196 0.1281 -0.0021 0.0076 -0.0004 148 GLN D C 12689 O O . GLN D 148 ? 0.1194 0.1101 0.1183 -0.0014 0.0076 -0.0008 148 GLN D O 12690 C CB . GLN D 148 ? 0.1140 0.1038 0.1117 -0.0024 0.0080 0.0002 148 GLN D CB 12691 C CG . GLN D 148 ? 0.1256 0.1142 0.1225 -0.0028 0.0081 0.0006 148 GLN D CG 12692 C CD . GLN D 148 ? 0.1237 0.1126 0.1199 -0.0026 0.0085 0.0009 148 GLN D CD 12693 O OE1 . GLN D 148 ? 0.1443 0.1345 0.1408 -0.0028 0.0090 0.0013 148 GLN D OE1 12694 N NE2 . GLN D 148 ? 0.1769 0.1649 0.1721 -0.0022 0.0084 0.0009 148 GLN D NE2 12703 N N . SER D 149 ? 0.1062 0.0977 0.1064 -0.0025 0.0075 -0.0003 149 SER D N 12704 C CA . SER D 149 ? 0.1045 0.0973 0.1055 -0.0021 0.0075 -0.0005 149 SER D CA 12705 C C . SER D 149 ? 0.1099 0.1018 0.1108 -0.0015 0.0071 -0.0010 149 SER D C 12706 O O . SER D 149 ? 0.1188 0.1097 0.1195 -0.0018 0.0067 -0.0012 149 SER D O 12707 C CB . SER D 149 ? 0.1275 0.1214 0.1296 -0.0027 0.0075 -0.0002 149 SER D CB 12708 O OG . SER D 149 ? 0.1332 0.1265 0.1355 -0.0033 0.0071 -0.0003 149 SER D OG 12714 N N . PHE D 150 ? 0.1021 0.0947 0.1034 -0.0008 0.0071 -0.0013 150 PHE D N 12715 C CA . PHE D 150 ? 0.0977 0.0897 0.0991 -0.0004 0.0067 -0.0017 150 PHE D CA 12716 C C . PHE D 150 ? 0.1068 0.0997 0.1094 -0.0005 0.0065 -0.0016 150 PHE D C 12717 O O . PHE D 150 ? 0.1233 0.1175 0.1267 -0.0004 0.0068 -0.0014 150 PHE D O 12718 C CB . PHE D 150 ? 0.1007 0.0928 0.1020 0.0005 0.0069 -0.0020 150 PHE D CB 12719 C CG . PHE D 150 ? 0.0862 0.0777 0.0877 0.0010 0.0065 -0.0024 150 PHE D CG 12720 C CD1 . PHE D 150 ? 0.1171 0.1073 0.1179 0.0011 0.0061 -0.0027 150 PHE D CD1 12721 C CD2 . PHE D 150 ? 0.0980 0.0904 0.1005 0.0014 0.0065 -0.0025 150 PHE D CD2 12722 C CE1 . PHE D 150 ? 0.0951 0.0848 0.0962 0.0014 0.0057 -0.0030 150 PHE D CE1 12723 C CE2 . PHE D 150 ? 0.1063 0.0982 0.1091 0.0018 0.0061 -0.0028 150 PHE D CE2 12724 C CZ . PHE D 150 ? 0.1078 0.0982 0.1098 0.0018 0.0057 -0.0030 150 PHE D CZ 12734 N N . VAL D 151 ? 0.0960 0.0882 0.0986 -0.0007 0.0060 -0.0017 151 VAL D N 12735 C CA . VAL D 151 ? 0.0909 0.0838 0.0945 -0.0009 0.0057 -0.0016 151 VAL D CA 12736 C C . VAL D 151 ? 0.1006 0.0929 0.1042 -0.0003 0.0054 -0.0019 151 VAL D C 12737 O O . VAL D 151 ? 0.1107 0.1018 0.1136 -0.0003 0.0051 -0.0021 151 VAL D O 12738 C CB . VAL D 151 ? 0.0925 0.0854 0.0962 -0.0017 0.0054 -0.0014 151 VAL D CB 12739 C CG1 . VAL D 151 ? 0.1024 0.0962 0.1070 -0.0019 0.0051 -0.0013 151 VAL D CG1 12740 C CG2 . VAL D 151 ? 0.1304 0.1237 0.1340 -0.0024 0.0058 -0.0011 151 VAL D CG2 12750 N N . GLY D 152 ? 0.0934 0.0866 0.0979 0.0002 0.0054 -0.0019 152 GLY D N 12751 C CA . GLY D 152 ? 0.0952 0.0877 0.0998 0.0007 0.0050 -0.0022 152 GLY D CA 12752 C C . GLY D 152 ? 0.0932 0.0862 0.0982 0.0015 0.0053 -0.0023 152 GLY D C 12753 O O . GLY D 152 ? 0.0985 0.0926 0.1041 0.0016 0.0056 -0.0021 152 GLY D O 12757 N N . GLU D 153 ? 0.0751 0.0672 0.0799 0.0021 0.0051 -0.0027 153 GLU D N 12758 C CA . GLU D 153 ? 0.0831 0.0754 0.0884 0.0029 0.0053 -0.0028 153 GLU D CA 12759 C C . GLU D 153 ? 0.0843 0.0757 0.0887 0.0034 0.0054 -0.0034 153 GLU D C 12760 O O . GLU D 153 ? 0.0951 0.0854 0.0987 0.0032 0.0052 -0.0036 153 GLU D O 12761 C CB . GLU D 153 ? 0.0886 0.0807 0.0947 0.0031 0.0048 -0.0028 153 GLU D CB 12762 C CG . GLU D 153 ? 0.0855 0.0784 0.0922 0.0025 0.0046 -0.0023 153 GLU D CG 12763 C CD . GLU D 153 ? 0.1046 0.0975 0.1121 0.0028 0.0041 -0.0021 153 GLU D CD 12764 O OE1 . GLU D 153 ? 0.1231 0.1159 0.1311 0.0035 0.0042 -0.0022 153 GLU D OE1 12765 O OE2 . GLU D 153 ? 0.1282 0.1211 0.1358 0.0022 0.0038 -0.0019 153 GLU D OE2 12772 N N . ILE D 154 ? 0.0851 0.0771 0.0897 0.0040 0.0059 -0.0035 154 ILE D N 12773 C CA . ILE D 154 ? 0.0867 0.0780 0.0905 0.0045 0.0060 -0.0041 154 ILE D CA 12774 C C . ILE D 154 ? 0.0933 0.0847 0.0978 0.0053 0.0061 -0.0044 154 ILE D C 12775 O O . ILE D 154 ? 0.1302 0.1228 0.1356 0.0056 0.0064 -0.0042 154 ILE D O 12776 C CB . ILE D 154 ? 0.1266 0.1184 0.1297 0.0044 0.0066 -0.0041 154 ILE D CB 12777 C CG1 . ILE D 154 ? 0.1434 0.1347 0.1457 0.0037 0.0065 -0.0039 154 ILE D CG1 12778 C CG2 . ILE D 154 ? 0.1464 0.1378 0.1487 0.0051 0.0068 -0.0047 154 ILE D CG2 12779 C CD1 . ILE D 154 ? 0.1667 0.1587 0.1684 0.0035 0.0070 -0.0036 154 ILE D CD1 12791 N N . GLY D 155 ? 0.0958 0.0861 0.0999 0.0058 0.0059 -0.0050 155 GLY D N 12792 C CA . GLY D 155 ? 0.1178 0.1080 0.1224 0.0066 0.0060 -0.0054 155 GLY D CA 12793 C C . GLY D 155 ? 0.1029 0.0920 0.1066 0.0070 0.0060 -0.0061 155 GLY D C 12794 O O . GLY D 155 ? 0.1093 0.0977 0.1118 0.0067 0.0059 -0.0063 155 GLY D O 12798 N N . ASP D 156 ? 0.1111 0.0999 0.1152 0.0078 0.0061 -0.0066 156 ASP D N 12799 C CA . ASP D 156 ? 0.1179 0.1056 0.1212 0.0082 0.0060 -0.0074 156 ASP D CA 12800 C C . ASP D 156 ? 0.0988 0.0866 0.1008 0.0082 0.0064 -0.0077 156 ASP D C 12801 O O . ASP D 156 ? 0.1126 0.0994 0.1136 0.0080 0.0061 -0.0081 156 ASP D O 12802 C CB . ASP D 156 ? 0.1066 0.0929 0.1098 0.0079 0.0054 -0.0075 156 ASP D CB 12803 C CG . ASP D 156 ? 0.2045 0.1904 0.2089 0.0082 0.0051 -0.0073 156 ASP D CG 12804 O OD1 . ASP D 156 ? 0.2145 0.2010 0.2198 0.0088 0.0054 -0.0073 156 ASP D OD1 12805 O OD2 . ASP D 156 ? 0.2089 0.1940 0.2135 0.0079 0.0046 -0.0071 156 ASP D OD2 12810 N N . LEU D 157 ? 0.0910 0.0801 0.0930 0.0083 0.0070 -0.0075 157 LEU D N 12811 C CA . LEU D 157 ? 0.0947 0.0840 0.0954 0.0082 0.0073 -0.0077 157 LEU D CA 12812 C C . LEU D 157 ? 0.0917 0.0811 0.0919 0.0090 0.0076 -0.0085 157 LEU D C 12813 O O . LEU D 157 ? 0.1128 0.1029 0.1137 0.0096 0.0080 -0.0086 157 LEU D O 12814 C CB . LEU D 157 ? 0.1113 0.1021 0.1121 0.0077 0.0077 -0.0070 157 LEU D CB 12815 C CG . LEU D 157 ? 0.1301 0.1212 0.1296 0.0075 0.0080 -0.0070 157 LEU D CG 12816 C CD1 . LEU D 157 ? 0.1300 0.1218 0.1297 0.0067 0.0081 -0.0062 157 LEU D CD1 12817 C CD2 . LEU D 157 ? 0.1256 0.1176 0.1248 0.0081 0.0087 -0.0074 157 LEU D CD2 12829 N N . TYR D 158 ? 0.1084 0.0970 0.1073 0.0090 0.0075 -0.0090 158 TYR D N 12830 C CA . TYR D 158 ? 0.0884 0.0769 0.0865 0.0096 0.0078 -0.0098 158 TYR D CA 12831 C C . TYR D 158 ? 0.1050 0.0937 0.1016 0.0094 0.0080 -0.0099 158 TYR D C 12832 O O . TYR D 158 ? 0.1183 0.1065 0.1144 0.0088 0.0076 -0.0096 158 TYR D O 12833 C CB . TYR D 158 ? 0.1181 0.1051 0.1162 0.0100 0.0073 -0.0106 158 TYR D CB 12834 C CG . TYR D 158 ? 0.1159 0.1026 0.1155 0.0103 0.0071 -0.0105 158 TYR D CG 12835 C CD1 . TYR D 158 ? 0.1248 0.1110 0.1252 0.0098 0.0066 -0.0100 158 TYR D CD1 12836 C CD2 . TYR D 158 ? 0.1279 0.1148 0.1281 0.0111 0.0075 -0.0110 158 TYR D CD2 12837 C CE1 . TYR D 158 ? 0.1465 0.1324 0.1481 0.0100 0.0064 -0.0098 158 TYR D CE1 12838 C CE2 . TYR D 158 ? 0.1374 0.1240 0.1389 0.0114 0.0073 -0.0109 158 TYR D CE2 12839 C CZ . TYR D 158 ? 0.1599 0.1461 0.1622 0.0109 0.0068 -0.0102 158 TYR D CZ 12840 O OH . TYR D 158 ? 0.1854 0.1713 0.1889 0.0112 0.0066 -0.0101 158 TYR D OH 12850 N N . MET D 159 ? 0.1099 0.0994 0.1059 0.0099 0.0086 -0.0103 159 MET D N 12851 C CA . MET D 159 ? 0.1140 0.1038 0.1085 0.0098 0.0087 -0.0104 159 MET D CA 12852 C C . MET D 159 ? 0.1266 0.1163 0.1202 0.0105 0.0090 -0.0115 159 MET D C 12853 O O . MET D 159 ? 0.1216 0.1121 0.1158 0.0112 0.0095 -0.0118 159 MET D O 12854 C CB . MET D 159 ? 0.1258 0.1170 0.1202 0.0094 0.0093 -0.0096 159 MET D CB 12855 C CG . MET D 159 ? 0.1002 0.0916 0.0932 0.0091 0.0094 -0.0094 159 MET D CG 12856 S SD . MET D 159 ? 0.1600 0.1530 0.1531 0.0086 0.0100 -0.0084 159 MET D SD 12857 C CE . MET D 159 ? 0.1796 0.1727 0.1709 0.0083 0.0101 -0.0083 159 MET D CE 12867 N N . TRP D 160 ? 0.1111 0.1001 0.1035 0.0104 0.0087 -0.0119 160 TRP D N 12868 C CA . TRP D 160 ? 0.1176 0.1064 0.1090 0.0110 0.0088 -0.0130 160 TRP D CA 12869 C C . TRP D 160 ? 0.1400 0.1296 0.1299 0.0109 0.0091 -0.0128 160 TRP D C 12870 O O . TRP D 160 ? 0.1323 0.1220 0.1218 0.0102 0.0089 -0.0121 160 TRP D O 12871 C CB . TRP D 160 ? 0.1340 0.1211 0.1251 0.0110 0.0080 -0.0136 160 TRP D CB 12872 C CG . TRP D 160 ? 0.1329 0.1189 0.1253 0.0111 0.0076 -0.0138 160 TRP D CG 12873 C CD1 . TRP D 160 ? 0.1501 0.1354 0.1428 0.0118 0.0076 -0.0147 160 TRP D CD1 12874 C CD2 . TRP D 160 ? 0.1260 0.1115 0.1195 0.0106 0.0072 -0.0131 160 TRP D CD2 12875 N NE1 . TRP D 160 ? 0.1577 0.1422 0.1518 0.0117 0.0072 -0.0146 160 TRP D NE1 12876 C CE2 . TRP D 160 ? 0.1606 0.1451 0.1551 0.0109 0.0069 -0.0136 160 TRP D CE2 12877 C CE3 . TRP D 160 ? 0.1459 0.1316 0.1397 0.0098 0.0070 -0.0122 160 TRP D CE3 12878 C CZ2 . TRP D 160 ? 0.1664 0.1502 0.1621 0.0106 0.0065 -0.0130 160 TRP D CZ2 12879 C CZ3 . TRP D 160 ? 0.1481 0.1332 0.1430 0.0095 0.0066 -0.0117 160 TRP D CZ3 12880 C CH2 . TRP D 160 ? 0.1424 0.1265 0.1382 0.0098 0.0063 -0.0121 160 TRP D CH2 12891 N N . ASP D 161 ? 0.1553 0.1456 0.1444 0.0115 0.0095 -0.0136 161 ASP D N 12892 C CA . ASP D 161 ? 0.1422 0.1332 0.1297 0.0114 0.0098 -0.0135 161 ASP D CA 12893 C C . ASP D 161 ? 0.1640 0.1540 0.1503 0.0113 0.0092 -0.0142 161 ASP D C 12894 O O . ASP D 161 ? 0.1837 0.1742 0.1685 0.0115 0.0094 -0.0147 161 ASP D O 12895 C CB . ASP D 161 ? 0.1765 0.1690 0.1636 0.0121 0.0106 -0.0139 161 ASP D CB 12896 C CG . ASP D 161 ? 0.2316 0.2237 0.2182 0.0129 0.0106 -0.0152 161 ASP D CG 12897 O OD1 . ASP D 161 ? 0.1796 0.1702 0.1666 0.0130 0.0101 -0.0159 161 ASP D OD1 12898 O OD2 . ASP D 161 ? 0.2727 0.2660 0.2587 0.0134 0.0113 -0.0156 161 ASP D OD2 12903 N N . SER D 162 ? 0.1511 0.1397 0.1378 0.0110 0.0085 -0.0143 162 SER D N 12904 C CA . SER D 162 ? 0.1564 0.1440 0.1421 0.0108 0.0078 -0.0149 162 SER D CA 12905 C C . SER D 162 ? 0.1529 0.1396 0.1392 0.0101 0.0072 -0.0142 162 SER D C 12906 O O . SER D 162 ? 0.1440 0.1306 0.1314 0.0098 0.0072 -0.0135 162 SER D O 12907 C CB . SER D 162 ? 0.1845 0.1712 0.1702 0.0114 0.0076 -0.0162 162 SER D CB 12908 O OG . SER D 162 ? 0.2175 0.2032 0.2047 0.0114 0.0073 -0.0162 162 SER D OG 12914 N N . VAL D 163 ? 0.1593 0.1453 0.1446 0.0098 0.0066 -0.0145 163 VAL D N 12915 C CA . VAL D 163 ? 0.1314 0.1165 0.1172 0.0092 0.0060 -0.0139 163 VAL D CA 12916 C C . VAL D 163 ? 0.1645 0.1483 0.1511 0.0093 0.0054 -0.0146 163 VAL D C 12917 O O . VAL D 163 ? 0.1886 0.1719 0.1746 0.0095 0.0051 -0.0156 163 VAL D O 12918 C CB . VAL D 163 ? 0.1477 0.1329 0.1322 0.0089 0.0056 -0.0138 163 VAL D CB 12919 C CG1 . VAL D 163 ? 0.1700 0.1542 0.1550 0.0083 0.0049 -0.0133 163 VAL D CG1 12920 C CG2 . VAL D 163 ? 0.1842 0.1706 0.1680 0.0088 0.0061 -0.0130 163 VAL D CG2 12930 N N . LEU D 164 ? 0.1442 0.1275 0.1322 0.0091 0.0052 -0.0142 164 LEU D N 12931 C CA . LEU D 164 ? 0.1617 0.1438 0.1505 0.0091 0.0047 -0.0147 164 LEU D CA 12932 C C . LEU D 164 ? 0.1329 0.1142 0.1214 0.0086 0.0040 -0.0148 164 LEU D C 12933 O O . LEU D 164 ? 0.1549 0.1363 0.1432 0.0081 0.0038 -0.0140 164 LEU D O 12934 C CB . LEU D 164 ? 0.1549 0.1369 0.1453 0.0090 0.0048 -0.0141 164 LEU D CB 12935 C CG . LEU D 164 ? 0.1965 0.1792 0.1876 0.0095 0.0054 -0.0140 164 LEU D CG 12936 C CD1 . LEU D 164 ? 0.1754 0.1578 0.1681 0.0093 0.0053 -0.0134 164 LEU D CD1 12937 C CD2 . LEU D 164 ? 0.2134 0.1959 0.2043 0.0102 0.0057 -0.0150 164 LEU D CD2 12949 N N . PRO D 165 ? 0.1647 0.1450 0.1531 0.0088 0.0036 -0.0157 165 PRO D N 12950 C CA . PRO D 165 ? 0.1795 0.1590 0.1679 0.0083 0.0028 -0.0158 165 PRO D CA 12951 C C . PRO D 165 ? 0.1507 0.1296 0.1405 0.0079 0.0025 -0.0151 165 PRO D C 12952 O O . PRO D 165 ? 0.1511 0.1300 0.1419 0.0081 0.0028 -0.0148 165 PRO D O 12953 C CB . PRO D 165 ? 0.1845 0.1632 0.1725 0.0086 0.0025 -0.0170 165 PRO D CB 12954 C CG . PRO D 165 ? 0.1996 0.1782 0.1883 0.0092 0.0030 -0.0174 165 PRO D CG 12955 C CD . PRO D 165 ? 0.1930 0.1730 0.1815 0.0094 0.0037 -0.0167 165 PRO D CD 12963 N N . PRO D 166 ? 0.1536 0.1320 0.1434 0.0074 0.0019 -0.0148 166 PRO D N 12964 C CA . PRO D 166 ? 0.1635 0.1414 0.1545 0.0070 0.0016 -0.0142 166 PRO D CA 12965 C C . PRO D 166 ? 0.1248 0.1021 0.1172 0.0072 0.0016 -0.0144 166 PRO D C 12966 O O . PRO D 166 ? 0.1536 0.1310 0.1470 0.0071 0.0017 -0.0137 166 PRO D O 12967 C CB . PRO D 166 ? 0.1784 0.1560 0.1692 0.0065 0.0009 -0.0142 166 PRO D CB 12968 C CG . PRO D 166 ? 0.1762 0.1544 0.1656 0.0065 0.0010 -0.0144 166 PRO D CG 12969 C CD . PRO D 166 ? 0.1680 0.1465 0.1567 0.0071 0.0015 -0.0151 166 PRO D CD 12977 N N . GLU D 167 ? 0.1446 0.1211 0.1368 0.0075 0.0014 -0.0154 167 GLU D N 12978 C CA . GLU D 167 ? 0.1505 0.1262 0.1440 0.0077 0.0013 -0.0156 167 GLU D CA 12979 C C . GLU D 167 ? 0.1411 0.1173 0.1351 0.0082 0.0020 -0.0153 167 GLU D C 12980 O O . GLU D 167 ? 0.1670 0.1429 0.1623 0.0082 0.0019 -0.0149 167 GLU D O 12981 C CB . GLU D 167 ? 0.2085 0.1831 0.2016 0.0079 0.0010 -0.0167 167 GLU D CB 12982 C CG . GLU D 167 ? 0.2528 0.2277 0.2448 0.0084 0.0014 -0.0176 167 GLU D CG 12983 C CD . GLU D 167 ? 0.3811 0.3564 0.3715 0.0082 0.0012 -0.0180 167 GLU D CD 12984 O OE1 . GLU D 167 ? 0.3930 0.3683 0.3826 0.0086 0.0013 -0.0190 167 GLU D OE1 12985 O OE2 . GLU D 167 ? 0.2548 0.2306 0.2449 0.0077 0.0009 -0.0174 167 GLU D OE2 12992 N N . ASN D 168 ? 0.1367 0.1138 0.1299 0.0085 0.0025 -0.0154 168 ASN D N 12993 C CA . ASN D 168 ? 0.1442 0.1221 0.1380 0.0090 0.0032 -0.0151 168 ASN D CA 12994 C C . ASN D 168 ? 0.1316 0.1103 0.1260 0.0086 0.0033 -0.0140 168 ASN D C 12995 O O . ASN D 168 ? 0.1429 0.1220 0.1383 0.0088 0.0036 -0.0135 168 ASN D O 12996 C CB . ASN D 168 ? 0.1580 0.1367 0.1508 0.0096 0.0038 -0.0157 168 ASN D CB 12997 C CG . ASN D 168 ? 0.2067 0.1847 0.1990 0.0101 0.0037 -0.0170 168 ASN D CG 12998 O OD1 . ASN D 168 ? 0.3122 0.2909 0.3034 0.0105 0.0041 -0.0175 168 ASN D OD1 12999 N ND2 . ASN D 168 ? 0.1934 0.1701 0.1864 0.0101 0.0033 -0.0174 168 ASN D ND2 13006 N N . ILE D 169 ? 0.1359 0.1149 0.1297 0.0081 0.0031 -0.0135 169 ILE D N 13007 C CA A ILE D 169 ? 0.1366 0.1161 0.1309 0.0076 0.0032 -0.0124 169 ILE D CA 13008 C CA B ILE D 169 ? 0.1249 0.1045 0.1193 0.0076 0.0032 -0.0125 169 ILE D CA 13009 C C . ILE D 169 ? 0.1212 0.1001 0.1168 0.0074 0.0028 -0.0121 169 ILE D C 13010 O O . ILE D 169 ? 0.1430 0.1223 0.1395 0.0073 0.0030 -0.0115 169 ILE D O 13011 C CB A ILE D 169 ? 0.1482 0.1279 0.1416 0.0071 0.0029 -0.0121 169 ILE D CB 13012 C CB B ILE D 169 ? 0.1318 0.1117 0.1252 0.0071 0.0031 -0.0120 169 ILE D CB 13013 C CG1 A ILE D 169 ? 0.1669 0.1473 0.1590 0.0073 0.0033 -0.0123 169 ILE D CG1 13014 C CG1 B ILE D 169 ? 0.1272 0.1078 0.1194 0.0074 0.0035 -0.0123 169 ILE D CG1 13015 C CG2 A ILE D 169 ? 0.0967 0.0766 0.0907 0.0066 0.0028 -0.0111 169 ILE D CG2 13016 C CG2 B ILE D 169 ? 0.1197 0.1001 0.1137 0.0067 0.0031 -0.0110 169 ILE D CG2 13017 C CD1 A ILE D 169 ? 0.1797 0.1612 0.1718 0.0073 0.0039 -0.0116 169 ILE D CD1 13018 C CD1 B ILE D 169 ? 0.1623 0.1431 0.1534 0.0070 0.0033 -0.0120 169 ILE D CD1 13041 N N . LEU D 170 ? 0.1412 0.1191 0.1369 0.0072 0.0022 -0.0125 170 LEU D N 13042 C CA . LEU D 170 ? 0.1497 0.1270 0.1466 0.0069 0.0018 -0.0121 170 LEU D CA 13043 C C . LEU D 170 ? 0.1264 0.1035 0.1243 0.0074 0.0020 -0.0122 170 LEU D C 13044 O O . LEU D 170 ? 0.1611 0.1384 0.1601 0.0073 0.0020 -0.0115 170 LEU D O 13045 C CB . LEU D 170 ? 0.1841 0.1604 0.1809 0.0066 0.0011 -0.0125 170 LEU D CB 13046 C CG . LEU D 170 ? 0.3744 0.3509 0.3708 0.0060 0.0008 -0.0120 170 LEU D CG 13047 C CD1 . LEU D 170 ? 0.4757 0.4530 0.4709 0.0060 0.0011 -0.0119 170 LEU D CD1 13048 C CD2 . LEU D 170 ? 0.3536 0.3292 0.3499 0.0057 0.0001 -0.0125 170 LEU D CD2 13060 N N . SER D 171 ? 0.1524 0.1293 0.1500 0.0080 0.0023 -0.0130 171 SER D N 13061 C CA . SER D 171 ? 0.1502 0.1270 0.1488 0.0086 0.0026 -0.0131 171 SER D CA 13062 C C . SER D 171 ? 0.1229 0.1009 0.1221 0.0086 0.0031 -0.0123 171 SER D C 13063 O O . SER D 171 ? 0.1498 0.1280 0.1502 0.0087 0.0031 -0.0118 171 SER D O 13064 C CB . SER D 171 ? 0.1972 0.1737 0.1952 0.0093 0.0029 -0.0141 171 SER D CB 13065 O OG . SER D 171 ? 0.2538 0.2290 0.2515 0.0092 0.0024 -0.0149 171 SER D OG 13071 N N . ALA D 172 ? 0.1243 0.1034 0.1227 0.0086 0.0035 -0.0121 172 ALA D N 13072 C CA . ALA D 172 ? 0.1417 0.1219 0.1405 0.0085 0.0039 -0.0114 172 ALA D CA 13073 C C . ALA D 172 ? 0.1353 0.1156 0.1349 0.0079 0.0035 -0.0105 172 ALA D C 13074 O O . ALA D 172 ? 0.1388 0.1196 0.1395 0.0079 0.0037 -0.0099 172 ALA D O 13075 C CB . ALA D 172 ? 0.1275 0.1087 0.1252 0.0085 0.0043 -0.0113 172 ALA D CB 13081 N N . TYR D 173 ? 0.1283 0.1081 0.1273 0.0073 0.0031 -0.0103 173 TYR D N 13082 C CA . TYR D 173 ? 0.1261 0.1060 0.1258 0.0068 0.0028 -0.0096 173 TYR D CA 13083 C C . TYR D 173 ? 0.1491 0.1285 0.1501 0.0069 0.0025 -0.0094 173 TYR D C 13084 O O . TYR D 173 ? 0.1664 0.1463 0.1682 0.0066 0.0025 -0.0087 173 TYR D O 13085 C CB . TYR D 173 ? 0.1382 0.1176 0.1371 0.0063 0.0024 -0.0096 173 TYR D CB 13086 C CG . TYR D 173 ? 0.1489 0.1283 0.1484 0.0057 0.0020 -0.0089 173 TYR D CG 13087 C CD1 . TYR D 173 ? 0.1499 0.1300 0.1498 0.0055 0.0022 -0.0082 173 TYR D CD1 13088 C CD2 . TYR D 173 ? 0.1941 0.1727 0.1936 0.0055 0.0015 -0.0090 173 TYR D CD2 13089 C CE1 . TYR D 173 ? 0.1736 0.1537 0.1739 0.0050 0.0019 -0.0077 173 TYR D CE1 13090 C CE2 . TYR D 173 ? 0.2262 0.2049 0.2263 0.0050 0.0012 -0.0084 173 TYR D CE2 13091 C CZ . TYR D 173 ? 0.2076 0.1870 0.2080 0.0048 0.0014 -0.0078 173 TYR D CZ 13092 O OH . TYR D 173 ? 0.2856 0.2651 0.2864 0.0043 0.0011 -0.0072 173 TYR D OH 13102 N N . GLN D 174 ? 0.1543 0.1327 0.1554 0.0072 0.0023 -0.0100 174 GLN D N 13103 C CA . GLN D 174 ? 0.1631 0.1409 0.1654 0.0073 0.0020 -0.0098 174 GLN D CA 13104 C C . GLN D 174 ? 0.2192 0.1974 0.2224 0.0079 0.0024 -0.0097 174 GLN D C 13105 O O . GLN D 174 ? 0.2427 0.2205 0.2470 0.0080 0.0021 -0.0094 174 GLN D O 13106 C CB . GLN D 174 ? 0.1973 0.1738 0.1995 0.0074 0.0016 -0.0105 174 GLN D CB 13107 C CG . GLN D 174 ? 0.2400 0.2160 0.2415 0.0068 0.0011 -0.0106 174 GLN D CG 13108 C CD . GLN D 174 ? 0.3262 0.3011 0.3273 0.0069 0.0008 -0.0115 174 GLN D CD 13109 O OE1 . GLN D 174 ? 0.3447 0.3190 0.3460 0.0074 0.0009 -0.0121 174 GLN D OE1 13110 N NE2 . GLN D 174 ? 0.4297 0.4043 0.4303 0.0064 0.0003 -0.0115 174 GLN D NE2 13119 N N . GLY D 175 ? 0.1703 0.1494 0.1732 0.0083 0.0029 -0.0099 175 GLY D N 13120 C CA . GLY D 175 ? 0.1765 0.1562 0.1803 0.0088 0.0033 -0.0097 175 GLY D CA 13121 C C . GLY D 175 ? 0.1819 0.1610 0.1857 0.0097 0.0035 -0.0106 175 GLY D C 13122 O O . GLY D 175 ? 0.1933 0.1729 0.1981 0.0102 0.0038 -0.0104 175 GLY D O 13126 N N . THR D 176 ? 0.1700 0.1482 0.1728 0.0097 0.0034 -0.0114 176 THR D N 13127 C CA . THR D 176 ? 0.1730 0.1507 0.1756 0.0105 0.0037 -0.0124 176 THR D CA 13128 C C . THR D 176 ? 0.1715 0.1497 0.1727 0.0106 0.0040 -0.0130 176 THR D C 13129 O O . THR D 176 ? 0.1834 0.1608 0.1838 0.0107 0.0038 -0.0139 176 THR D O 13130 C CB . THR D 176 ? 0.1963 0.1723 0.1992 0.0106 0.0031 -0.0129 176 THR D CB 13131 O OG1 . THR D 176 ? 0.2404 0.2158 0.2424 0.0099 0.0027 -0.0131 176 THR D OG1 13132 C CG2 . THR D 176 ? 0.3222 0.2978 0.3266 0.0105 0.0028 -0.0123 176 THR D CG2 13140 N N . PRO D 177 ? 0.1539 0.1335 0.1547 0.0106 0.0045 -0.0126 177 PRO D N 13141 C CA . PRO D 177 ? 0.1405 0.1207 0.1400 0.0107 0.0049 -0.0131 177 PRO D CA 13142 C C . PRO D 177 ? 0.1721 0.1521 0.1712 0.0115 0.0052 -0.0142 177 PRO D C 13143 O O . PRO D 177 ? 0.1764 0.1562 0.1764 0.0122 0.0054 -0.0144 177 PRO D O 13144 C CB . PRO D 177 ? 0.1467 0.1286 0.1463 0.0106 0.0054 -0.0123 177 PRO D CB 13145 C CG . PRO D 177 ? 0.1566 0.1388 0.1576 0.0108 0.0055 -0.0118 177 PRO D CG 13146 C CD . PRO D 177 ? 0.1659 0.1467 0.1676 0.0105 0.0048 -0.0117 177 PRO D CD 13154 N N . LEU D 178 ? 0.1565 0.1365 0.1542 0.0115 0.0053 -0.0148 178 LEU D N 13155 C CA . LEU D 178 ? 0.1548 0.1349 0.1518 0.0123 0.0058 -0.0158 178 LEU D CA 13156 C C . LEU D 178 ? 0.1948 0.1765 0.1920 0.0127 0.0065 -0.0154 178 LEU D C 13157 O O . LEU D 178 ? 0.1990 0.1818 0.1965 0.0123 0.0067 -0.0145 178 LEU D O 13158 C CB . LEU D 178 ? 0.2007 0.1807 0.1961 0.0121 0.0057 -0.0164 178 LEU D CB 13159 C CG . LEU D 178 ? 0.1794 0.1579 0.1745 0.0118 0.0049 -0.0170 178 LEU D CG 13160 C CD1 . LEU D 178 ? 0.4227 0.4014 0.4161 0.0116 0.0049 -0.0175 178 LEU D CD1 13161 C CD2 . LEU D 178 ? 0.2147 0.1919 0.2104 0.0124 0.0048 -0.0180 178 LEU D CD2 13173 N N . PRO D 179 ? 0.1430 0.1250 0.1404 0.0136 0.0070 -0.0162 179 PRO D N 13174 C CA . PRO D 179 ? 0.1356 0.1192 0.1331 0.0141 0.0078 -0.0159 179 PRO D CA 13175 C C . PRO D 179 ? 0.1477 0.1326 0.1440 0.0136 0.0081 -0.0156 179 PRO D C 13176 O O . PRO D 179 ? 0.1588 0.1433 0.1537 0.0135 0.0079 -0.0161 179 PRO D O 13177 C CB . PRO D 179 ? 0.2291 0.2124 0.2262 0.0151 0.0082 -0.0171 179 PRO D CB 13178 C CG . PRO D 179 ? 0.2108 0.1923 0.2082 0.0151 0.0075 -0.0178 179 PRO D CG 13179 C CD . PRO D 179 ? 0.1583 0.1389 0.1554 0.0142 0.0068 -0.0174 179 PRO D CD 13187 N N . ALA D 180 ? 0.1317 0.1181 0.1285 0.0135 0.0085 -0.0146 180 ALA D N 13188 C CA . ALA D 180 ? 0.1406 0.1281 0.1364 0.0130 0.0088 -0.0141 180 ALA D CA 13189 C C . ALA D 180 ? 0.1519 0.1412 0.1476 0.0135 0.0097 -0.0141 180 ALA D C 13190 O O . ALA D 180 ? 0.2254 0.2154 0.2223 0.0139 0.0100 -0.0139 180 ALA D O 13191 C CB . ALA D 180 ? 0.1531 0.1409 0.1496 0.0121 0.0085 -0.0129 180 ALA D CB 13197 N N . ASN D 181 ? 0.1250 0.1149 0.1193 0.0134 0.0100 -0.0143 181 ASN D N 13198 C CA . ASN D 181 ? 0.1486 0.1401 0.1426 0.0140 0.0108 -0.0145 181 ASN D CA 13199 C C . ASN D 181 ? 0.1878 0.1810 0.1817 0.0136 0.0113 -0.0135 181 ASN D C 13200 O O . ASN D 181 ? 0.2408 0.2355 0.2345 0.0140 0.0120 -0.0135 181 ASN D O 13201 C CB . ASN D 181 ? 0.1656 0.1569 0.1581 0.0145 0.0110 -0.0156 181 ASN D CB 13202 C CG . ASN D 181 ? 0.2134 0.2042 0.2043 0.0139 0.0106 -0.0156 181 ASN D CG 13203 O OD1 . ASN D 181 ? 0.1729 0.1635 0.1639 0.0131 0.0102 -0.0147 181 ASN D OD1 13204 N ND2 . ASN D 181 ? 0.2304 0.2212 0.2199 0.0143 0.0107 -0.0165 181 ASN D ND2 13211 N N . ILE D 182 ? 0.1277 0.1207 0.1217 0.0126 0.0109 -0.0126 182 ILE D N 13212 C CA . ILE D 182 ? 0.1373 0.1318 0.1315 0.0121 0.0114 -0.0115 182 ILE D CA 13213 C C . ILE D 182 ? 0.1704 0.1653 0.1662 0.0119 0.0113 -0.0107 182 ILE D C 13214 O O . ILE D 182 ? 0.1801 0.1766 0.1767 0.0120 0.0119 -0.0103 182 ILE D O 13215 C CB . ILE D 182 ? 0.1431 0.1373 0.1362 0.0113 0.0111 -0.0110 182 ILE D CB 13216 C CG1 . ILE D 182 ? 0.1517 0.1457 0.1431 0.0116 0.0112 -0.0117 182 ILE D CG1 13217 C CG2 . ILE D 182 ? 0.1935 0.1892 0.1869 0.0108 0.0116 -0.0099 182 ILE D CG2 13218 C CD1 . ILE D 182 ? 0.2046 0.1984 0.1949 0.0108 0.0109 -0.0112 182 ILE D CD1 13230 N N . LEU D 183 ? 0.1279 0.1216 0.1244 0.0115 0.0106 -0.0105 183 LEU D N 13231 C CA . LEU D 183 ? 0.1011 0.0950 0.0991 0.0113 0.0105 -0.0099 183 LEU D CA 13232 C C . LEU D 183 ? 0.1181 0.1105 0.1168 0.0115 0.0099 -0.0103 183 LEU D C 13233 O O . LEU D 183 ? 0.1283 0.1192 0.1263 0.0113 0.0094 -0.0107 183 LEU D O 13234 C CB . LEU D 183 ? 0.1098 0.1038 0.1079 0.0102 0.0102 -0.0089 183 LEU D CB 13235 C CG . LEU D 183 ? 0.1570 0.1525 0.1547 0.0098 0.0108 -0.0083 183 LEU D CG 13236 C CD1 . LEU D 183 ? 0.1361 0.1311 0.1335 0.0088 0.0104 -0.0075 183 LEU D CD1 13237 C CD2 . LEU D 183 ? 0.1685 0.1656 0.1672 0.0101 0.0114 -0.0079 183 LEU D CD2 13249 N N . ASP D 184 ? 0.1445 0.1372 0.1445 0.0119 0.0100 -0.0102 184 ASP D N 13250 C CA . ASP D 184 ? 0.1243 0.1157 0.1252 0.0122 0.0094 -0.0106 184 ASP D CA 13251 C C . ASP D 184 ? 0.1441 0.1360 0.1465 0.0121 0.0093 -0.0098 184 ASP D C 13252 O O . ASP D 184 ? 0.1439 0.1371 0.1472 0.0125 0.0098 -0.0096 184 ASP D O 13253 C CB . ASP D 184 ? 0.1937 0.1845 0.1944 0.0132 0.0096 -0.0116 184 ASP D CB 13254 C CG . ASP D 184 ? 0.2354 0.2244 0.2366 0.0134 0.0090 -0.0121 184 ASP D CG 13255 O OD1 . ASP D 184 ? 0.1865 0.1754 0.1890 0.0134 0.0088 -0.0116 184 ASP D OD1 13256 O OD2 . ASP D 184 ? 0.2444 0.2320 0.2446 0.0135 0.0087 -0.0130 184 ASP D OD2 13261 N N . TRP D 185 ? 0.1269 0.1179 0.1297 0.0115 0.0087 -0.0094 185 TRP D N 13262 C CA . TRP D 185 ? 0.1190 0.1104 0.1231 0.0112 0.0084 -0.0086 185 TRP D CA 13263 C C . TRP D 185 ? 0.1368 0.1284 0.1422 0.0120 0.0086 -0.0088 185 TRP D C 13264 O O . TRP D 185 ? 0.1299 0.1225 0.1365 0.0120 0.0086 -0.0081 185 TRP D O 13265 C CB . TRP D 185 ? 0.1246 0.1147 0.1287 0.0105 0.0077 -0.0084 185 TRP D CB 13266 C CG . TRP D 185 ? 0.1132 0.1039 0.1183 0.0099 0.0075 -0.0075 185 TRP D CG 13267 C CD1 . TRP D 185 ? 0.1105 0.1007 0.1165 0.0099 0.0070 -0.0072 185 TRP D CD1 13268 C CD2 . TRP D 185 ? 0.1075 0.0993 0.1125 0.0092 0.0076 -0.0068 185 TRP D CD2 13269 N NE1 . TRP D 185 ? 0.1274 0.1185 0.1341 0.0092 0.0069 -0.0063 185 TRP D NE1 13270 C CE2 . TRP D 185 ? 0.1145 0.1065 0.1205 0.0088 0.0072 -0.0061 185 TRP D CE2 13271 C CE3 . TRP D 185 ? 0.1189 0.1116 0.1231 0.0089 0.0080 -0.0066 185 TRP D CE3 13272 C CZ2 . TRP D 185 ? 0.1108 0.1039 0.1171 0.0081 0.0073 -0.0054 185 TRP D CZ2 13273 C CZ3 . TRP D 185 ? 0.1455 0.1391 0.1500 0.0081 0.0080 -0.0058 185 TRP D CZ3 13274 C CH2 . TRP D 185 ? 0.1391 0.1329 0.1447 0.0077 0.0077 -0.0053 185 TRP D CH2 13285 N N . GLN D 186 ? 0.1438 0.1345 0.1490 0.0128 0.0086 -0.0096 186 GLN D N 13286 C CA . GLN D 186 ? 0.1428 0.1335 0.1493 0.0137 0.0087 -0.0098 186 GLN D CA 13287 C C . GLN D 186 ? 0.1726 0.1649 0.1794 0.0145 0.0095 -0.0100 186 GLN D C 13288 O O . GLN D 186 ? 0.1843 0.1768 0.1921 0.0153 0.0097 -0.0101 186 GLN D O 13289 C CB . GLN D 186 ? 0.1829 0.1717 0.1891 0.0142 0.0084 -0.0107 186 GLN D CB 13290 C CG . GLN D 186 ? 0.2000 0.1872 0.2061 0.0135 0.0076 -0.0105 186 GLN D CG 13291 C CD . GLN D 186 ? 0.3372 0.3227 0.3437 0.0141 0.0072 -0.0112 186 GLN D CD 13292 O OE1 . GLN D 186 ? 0.3143 0.2992 0.3202 0.0147 0.0075 -0.0122 186 GLN D OE1 13293 N NE2 . GLN D 186 ? 0.4059 0.3906 0.4133 0.0138 0.0067 -0.0107 186 GLN D NE2 13302 N N . ALA D 187 ? 0.1532 0.1466 0.1590 0.0142 0.0100 -0.0100 187 ALA D N 13303 C CA . ALA D 187 ? 0.1713 0.1664 0.1773 0.0149 0.0108 -0.0101 187 ALA D CA 13304 C C . ALA D 187 ? 0.1567 0.1531 0.1620 0.0141 0.0111 -0.0095 187 ALA D C 13305 O O . ALA D 187 ? 0.1635 0.1603 0.1676 0.0142 0.0115 -0.0099 187 ALA D O 13306 C CB . ALA D 187 ? 0.2016 0.1961 0.2068 0.0158 0.0111 -0.0113 187 ALA D CB 13312 N N . LEU D 188 ? 0.1619 0.1590 0.1679 0.0133 0.0109 -0.0086 188 LEU D N 13313 C CA . LEU D 188 ? 0.1483 0.1464 0.1537 0.0124 0.0110 -0.0079 188 LEU D CA 13314 C C . LEU D 188 ? 0.1572 0.1575 0.1634 0.0125 0.0116 -0.0073 188 LEU D C 13315 O O . LEU D 188 ? 0.1715 0.1726 0.1791 0.0127 0.0116 -0.0069 188 LEU D O 13316 C CB . LEU D 188 ? 0.1486 0.1459 0.1541 0.0114 0.0104 -0.0073 188 LEU D CB 13317 C CG . LEU D 188 ? 0.1307 0.1282 0.1352 0.0104 0.0104 -0.0068 188 LEU D CG 13318 C CD1 . LEU D 188 ? 0.1905 0.1868 0.1935 0.0104 0.0102 -0.0074 188 LEU D CD1 13319 C CD2 . LEU D 188 ? 0.1428 0.1400 0.1479 0.0095 0.0098 -0.0061 188 LEU D CD2 13331 N N . ASN D 189 ? 0.1437 0.1450 0.1490 0.0123 0.0122 -0.0073 189 ASN D N 13332 C CA . ASN D 189 ? 0.1566 0.1601 0.1626 0.0121 0.0127 -0.0066 189 ASN D CA 13333 C C . ASN D 189 ? 0.1257 0.1294 0.1314 0.0109 0.0125 -0.0058 189 ASN D C 13334 O O . ASN D 189 ? 0.1623 0.1654 0.1668 0.0104 0.0125 -0.0058 189 ASN D O 13335 C CB . ASN D 189 ? 0.1831 0.1877 0.1884 0.0127 0.0135 -0.0071 189 ASN D CB 13336 C CG . ASN D 189 ? 0.3410 0.3457 0.3468 0.0140 0.0138 -0.0078 189 ASN D CG 13337 O OD1 . ASN D 189 ? 0.3409 0.3463 0.3482 0.0145 0.0139 -0.0076 189 ASN D OD1 13338 N ND2 . ASN D 189 ? 0.4735 0.4776 0.4782 0.0147 0.0141 -0.0087 189 ASN D ND2 13345 N N . TYR D 190 ? 0.1486 0.1532 0.1555 0.0104 0.0124 -0.0050 190 TYR D N 13346 C CA . TYR D 190 ? 0.1596 0.1643 0.1664 0.0092 0.0121 -0.0043 190 TYR D CA 13347 C C . TYR D 190 ? 0.1465 0.1531 0.1546 0.0088 0.0123 -0.0035 190 TYR D C 13348 O O . TYR D 190 ? 0.1672 0.1752 0.1765 0.0094 0.0126 -0.0034 190 TYR D O 13349 C CB . TYR D 190 ? 0.1630 0.1659 0.1699 0.0088 0.0113 -0.0043 190 TYR D CB 13350 C CG . TYR D 190 ? 0.1246 0.1278 0.1330 0.0091 0.0109 -0.0041 190 TYR D CG 13351 C CD1 . TYR D 190 ? 0.1348 0.1391 0.1442 0.0085 0.0108 -0.0034 190 TYR D CD1 13352 C CD2 . TYR D 190 ? 0.1760 0.1782 0.1846 0.0100 0.0108 -0.0047 190 TYR D CD2 13353 C CE1 . TYR D 190 ? 0.1771 0.1818 0.1879 0.0089 0.0105 -0.0032 190 TYR D CE1 13354 C CE2 . TYR D 190 ? 0.1836 0.1860 0.1935 0.0104 0.0105 -0.0045 190 TYR D CE2 13355 C CZ . TYR D 190 ? 0.1727 0.1764 0.1837 0.0098 0.0104 -0.0037 190 TYR D CZ 13356 O OH . TYR D 190 ? 0.2568 0.2608 0.2692 0.0102 0.0101 -0.0035 190 TYR D OH 13366 N N . GLU D 191 ? 0.1553 0.1623 0.1632 0.0077 0.0122 -0.0028 191 GLU D N 13367 C CA . GLU D 191 ? 0.1432 0.1518 0.1522 0.0070 0.0123 -0.0020 191 GLU D CA 13368 C C . GLU D 191 ? 0.1438 0.1516 0.1529 0.0060 0.0117 -0.0016 191 GLU D C 13369 O O . GLU D 191 ? 0.1555 0.1622 0.1634 0.0053 0.0115 -0.0015 191 GLU D O 13370 C CB . GLU D 191 ? 0.1562 0.1662 0.1648 0.0067 0.0130 -0.0016 191 GLU D CB 13371 C CG . GLU D 191 ? 0.2228 0.2339 0.2313 0.0077 0.0137 -0.0021 191 GLU D CG 13372 C CD . GLU D 191 ? 0.3321 0.3445 0.3400 0.0073 0.0144 -0.0017 191 GLU D CD 13373 O OE1 . GLU D 191 ? 0.2453 0.2572 0.2525 0.0064 0.0142 -0.0013 191 GLU D OE1 13374 O OE2 . GLU D 191 ? 0.3313 0.3452 0.3394 0.0080 0.0150 -0.0018 191 GLU D OE2 13381 N N . ILE D 192 ? 0.1240 0.1324 0.1343 0.0058 0.0113 -0.0013 192 ILE D N 13382 C CA . ILE D 192 ? 0.1286 0.1365 0.1391 0.0048 0.0107 -0.0008 192 ILE D CA 13383 C C . ILE D 192 ? 0.1351 0.1445 0.1460 0.0039 0.0110 -0.0001 192 ILE D C 13384 O O . ILE D 192 ? 0.1552 0.1666 0.1672 0.0041 0.0114 0.0002 192 ILE D O 13385 C CB . ILE D 192 ? 0.1158 0.1236 0.1273 0.0050 0.0102 -0.0008 192 ILE D CB 13386 C CG1 . ILE D 192 ? 0.1672 0.1730 0.1780 0.0055 0.0098 -0.0014 192 ILE D CG1 13387 C CG2 . ILE D 192 ? 0.1330 0.1411 0.1449 0.0039 0.0097 -0.0002 192 ILE D CG2 13388 C CD1 . ILE D 192 ? 0.1954 0.2010 0.2073 0.0059 0.0093 -0.0013 192 ILE D CD1 13400 N N . ARG D 193 ? 0.1456 0.1542 0.1558 0.0029 0.0108 0.0001 193 ARG D N 13401 C CA . ARG D 193 ? 0.1475 0.1572 0.1580 0.0018 0.0109 0.0007 193 ARG D CA 13402 C C . ARG D 193 ? 0.1502 0.1591 0.1608 0.0009 0.0102 0.0009 193 ARG D C 13403 O O . ARG D 193 ? 0.1737 0.1807 0.1833 0.0007 0.0099 0.0006 193 ARG D O 13404 C CB . ARG D 193 ? 0.1767 0.1862 0.1861 0.0015 0.0114 0.0008 193 ARG D CB 13405 C CG . ARG D 193 ? 0.2002 0.2108 0.2095 0.0024 0.0121 0.0007 193 ARG D CG 13406 C CD . ARG D 193 ? 0.2575 0.2706 0.2682 0.0025 0.0125 0.0011 193 ARG D CD 13407 N NE . ARG D 193 ? 0.2675 0.2817 0.2781 0.0034 0.0133 0.0009 193 ARG D NE 13408 C CZ . ARG D 193 ? 0.3078 0.3227 0.3190 0.0045 0.0135 0.0005 193 ARG D CZ 13409 N NH1 . ARG D 193 ? 0.2633 0.2777 0.2753 0.0049 0.0130 0.0003 193 ARG D NH1 13410 N NH2 . ARG D 193 ? 0.3458 0.3617 0.3567 0.0053 0.0142 0.0003 193 ARG D NH2 13424 N N . GLY D 194 ? 0.1570 0.1672 0.1686 0.0003 0.0101 0.0014 194 GLY D N 13425 C CA . GLY D 194 ? 0.1501 0.1596 0.1618 -0.0005 0.0095 0.0015 194 GLY D CA 13426 C C . GLY D 194 ? 0.1274 0.1361 0.1394 0.0000 0.0089 0.0012 194 GLY D C 13427 O O . GLY D 194 ? 0.1591 0.1685 0.1718 0.0009 0.0090 0.0011 194 GLY D O 13431 N N . TYR D 195 ? 0.1279 0.1354 0.1394 -0.0006 0.0084 0.0011 195 TYR D N 13432 C CA . TYR D 195 ? 0.1258 0.1326 0.1376 -0.0004 0.0078 0.0009 195 TYR D CA 13433 C C . TYR D 195 ? 0.0968 0.1018 0.1077 0.0004 0.0077 0.0004 195 TYR D C 13434 O O . TYR D 195 ? 0.1158 0.1192 0.1257 0.0000 0.0074 0.0001 195 TYR D O 13435 C CB . TYR D 195 ? 0.1144 0.1208 0.1261 -0.0014 0.0073 0.0011 195 TYR D CB 13436 C CG . TYR D 195 ? 0.0958 0.1020 0.1079 -0.0013 0.0067 0.0010 195 TYR D CG 13437 C CD1 . TYR D 195 ? 0.1414 0.1486 0.1545 -0.0006 0.0066 0.0011 195 TYR D CD1 13438 C CD2 . TYR D 195 ? 0.1165 0.1217 0.1281 -0.0020 0.0062 0.0009 195 TYR D CD2 13439 C CE1 . TYR D 195 ? 0.1008 0.1079 0.1143 -0.0005 0.0060 0.0012 195 TYR D CE1 13440 C CE2 . TYR D 195 ? 0.1213 0.1264 0.1332 -0.0020 0.0056 0.0009 195 TYR D CE2 13441 C CZ . TYR D 195 ? 0.1050 0.1111 0.1179 -0.0013 0.0056 0.0011 195 TYR D CZ 13442 O OH . TYR D 195 ? 0.1221 0.1283 0.1354 -0.0013 0.0050 0.0012 195 TYR D OH 13452 N N . VAL D 196 ? 0.1042 0.1095 0.1155 0.0014 0.0079 0.0002 196 VAL D N 13453 C CA . VAL D 196 ? 0.1095 0.1132 0.1201 0.0022 0.0077 -0.0004 196 VAL D CA 13454 C C . VAL D 196 ? 0.1241 0.1284 0.1358 0.0029 0.0076 -0.0003 196 VAL D C 13455 O O . VAL D 196 ? 0.1417 0.1476 0.1544 0.0034 0.0080 -0.0001 196 VAL D O 13456 C CB . VAL D 196 ? 0.1050 0.1082 0.1147 0.0027 0.0083 -0.0007 196 VAL D CB 13457 C CG1 . VAL D 196 ? 0.1280 0.1294 0.1369 0.0033 0.0080 -0.0013 196 VAL D CG1 13458 C CG2 . VAL D 196 ? 0.1371 0.1401 0.1459 0.0020 0.0085 -0.0006 196 VAL D CG2 13468 N N . ILE D 197 ? 0.1018 0.1049 0.1134 0.0031 0.0071 -0.0005 197 ILE D N 13469 C CA . ILE D 197 ? 0.1052 0.1088 0.1178 0.0038 0.0069 -0.0004 197 ILE D CA 13470 C C . ILE D 197 ? 0.1047 0.1067 0.1169 0.0046 0.0068 -0.0009 197 ILE D C 13471 O O . ILE D 197 ? 0.1145 0.1149 0.1257 0.0044 0.0066 -0.0013 197 ILE D O 13472 C CB . ILE D 197 ? 0.1086 0.1123 0.1217 0.0031 0.0063 0.0000 197 ILE D CB 13473 C CG1 . ILE D 197 ? 0.1126 0.1178 0.1261 0.0022 0.0063 0.0005 197 ILE D CG1 13474 C CG2 . ILE D 197 ? 0.1374 0.1415 0.1516 0.0038 0.0060 0.0002 197 ILE D CG2 13475 C CD1 . ILE D 197 ? 0.1361 0.1434 0.1509 0.0025 0.0066 0.0009 197 ILE D CD1 13487 N N . ILE D 198 ? 0.1153 0.1176 0.1282 0.0056 0.0070 -0.0010 198 ILE D N 13488 C CA . ILE D 198 ? 0.0969 0.0977 0.1095 0.0063 0.0069 -0.0015 198 ILE D CA 13489 C C . ILE D 198 ? 0.1253 0.1257 0.1386 0.0064 0.0063 -0.0013 198 ILE D C 13490 O O . ILE D 198 ? 0.1465 0.1483 0.1611 0.0065 0.0062 -0.0008 198 ILE D O 13491 C CB . ILE D 198 ? 0.1123 0.1137 0.1254 0.0074 0.0074 -0.0019 198 ILE D CB 13492 C CG1 . ILE D 198 ? 0.1239 0.1256 0.1360 0.0073 0.0080 -0.0022 198 ILE D CG1 13493 C CG2 . ILE D 198 ? 0.1288 0.1285 0.1417 0.0081 0.0072 -0.0024 198 ILE D CG2 13494 C CD1 . ILE D 198 ? 0.1569 0.1595 0.1696 0.0083 0.0086 -0.0024 198 ILE D CD1 13506 N N . LYS D 199 ? 0.1134 0.1121 0.1260 0.0062 0.0059 -0.0015 199 LYS D N 13507 C CA . LYS D 199 ? 0.1115 0.1097 0.1246 0.0062 0.0053 -0.0013 199 LYS D CA 13508 C C . LYS D 199 ? 0.1066 0.1031 0.1193 0.0068 0.0051 -0.0018 199 LYS D C 13509 O O . LYS D 199 ? 0.1100 0.1055 0.1218 0.0069 0.0053 -0.0024 199 LYS D O 13510 C CB . LYS D 199 ? 0.1188 0.1169 0.1315 0.0052 0.0049 -0.0010 199 LYS D CB 13511 C CG . LYS D 199 ? 0.1260 0.1258 0.1393 0.0046 0.0049 -0.0004 199 LYS D CG 13512 C CD . LYS D 199 ? 0.2121 0.2131 0.2268 0.0050 0.0046 0.0001 199 LYS D CD 13513 C CE . LYS D 199 ? 0.2233 0.2259 0.2386 0.0043 0.0045 0.0007 199 LYS D CE 13514 N NZ . LYS D 199 ? 0.3800 0.3837 0.3966 0.0048 0.0043 0.0013 199 LYS D NZ 13528 N N . PRO D 200 ? 0.1289 0.1249 0.1423 0.0070 0.0047 -0.0015 200 PRO D N 13529 C CA . PRO D 200 ? 0.1041 0.0982 0.1170 0.0074 0.0045 -0.0020 200 PRO D CA 13530 C C . PRO D 200 ? 0.1158 0.1089 0.1275 0.0067 0.0042 -0.0022 200 PRO D C 13531 O O . PRO D 200 ? 0.1260 0.1196 0.1375 0.0059 0.0040 -0.0019 200 PRO D O 13532 C CB . PRO D 200 ? 0.1384 0.1325 0.1524 0.0075 0.0040 -0.0014 200 PRO D CB 13533 C CG . PRO D 200 ? 0.1940 0.1899 0.2091 0.0077 0.0042 -0.0009 200 PRO D CG 13534 C CD . PRO D 200 ? 0.1687 0.1658 0.1833 0.0070 0.0045 -0.0008 200 PRO D CD 13542 N N . LEU D 201 ? 0.1347 0.1263 0.1456 0.0069 0.0042 -0.0028 201 LEU D N 13543 C CA . LEU D 201 ? 0.1348 0.1252 0.1447 0.0064 0.0039 -0.0031 201 LEU D CA 13544 C C . LEU D 201 ? 0.1550 0.1449 0.1654 0.0062 0.0034 -0.0027 201 LEU D C 13545 O O . LEU D 201 ? 0.2090 0.1981 0.2199 0.0067 0.0032 -0.0028 201 LEU D O 13546 C CB . LEU D 201 ? 0.1618 0.1510 0.1709 0.0068 0.0041 -0.0039 201 LEU D CB 13547 C CG . LEU D 201 ? 0.1835 0.1714 0.1917 0.0065 0.0038 -0.0042 201 LEU D CG 13548 C CD1 . LEU D 201 ? 0.1620 0.1503 0.1693 0.0057 0.0038 -0.0041 201 LEU D CD1 13549 C CD2 . LEU D 201 ? 0.2427 0.2296 0.2502 0.0070 0.0039 -0.0050 201 LEU D CD2 13561 N N . VAL D 202 ? 0.1134 0.1036 0.1235 0.0054 0.0031 -0.0024 202 VAL D N 13562 C CA . VAL D 202 ? 0.1256 0.1154 0.1361 0.0052 0.0026 -0.0020 202 VAL D CA 13563 C C . VAL D 202 ? 0.1480 0.1367 0.1576 0.0047 0.0023 -0.0022 202 VAL D C 13564 O O . VAL D 202 ? 0.1549 0.1433 0.1647 0.0045 0.0019 -0.0019 202 VAL D O 13565 C CB . VAL D 202 ? 0.1428 0.1340 0.1540 0.0048 0.0024 -0.0013 202 VAL D CB 13566 C CG1 . VAL D 202 ? 0.1994 0.1918 0.2116 0.0052 0.0027 -0.0009 202 VAL D CG1 13567 C CG2 . VAL D 202 ? 0.1310 0.1226 0.1413 0.0040 0.0025 -0.0013 202 VAL D CG2 13577 N N . TRP D 203 ? 0.1303 0.1185 0.1388 0.0045 0.0025 -0.0027 203 TRP D N 13578 C CA . TRP D 203 ? 0.1346 0.1220 0.1422 0.0041 0.0023 -0.0029 203 TRP D CA 13579 C C . TRP D 203 ? 0.1814 0.1676 0.1885 0.0044 0.0023 -0.0035 203 TRP D C 13580 O O . TRP D 203 ? 0.3005 0.2859 0.3068 0.0041 0.0021 -0.0036 203 TRP D O 13581 C CB . TRP D 203 ? 0.1463 0.1341 0.1531 0.0036 0.0025 -0.0029 203 TRP D CB 13582 C CG . TRP D 203 ? 0.1067 0.0952 0.1133 0.0037 0.0030 -0.0031 203 TRP D CG 13583 C CD1 . TRP D 203 ? 0.1090 0.0987 0.1162 0.0037 0.0033 -0.0028 203 TRP D CD1 13584 C CD2 . TRP D 203 ? 0.0966 0.0845 0.1024 0.0040 0.0033 -0.0036 203 TRP D CD2 13585 N NE1 . TRP D 203 ? 0.1173 0.1073 0.1241 0.0038 0.0037 -0.0030 203 TRP D NE1 13586 C CE2 . TRP D 203 ? 0.1034 0.0923 0.1093 0.0040 0.0038 -0.0035 203 TRP D CE2 13587 C CE3 . TRP D 203 ? 0.1266 0.1134 0.1315 0.0041 0.0032 -0.0041 203 TRP D CE3 13588 C CZ2 . TRP D 203 ? 0.0981 0.0868 0.1032 0.0042 0.0042 -0.0039 203 TRP D CZ2 13589 C CZ3 . TRP D 203 ? 0.1278 0.1144 0.1320 0.0043 0.0036 -0.0045 203 TRP D CZ3 13590 C CH2 . TRP D 203 ? 0.1112 0.0989 0.1155 0.0044 0.0041 -0.0044 203 TRP D CH2 13601 N N . VAL D 204 ? 0.2266 0.2124 0.2339 0.0050 0.0025 -0.0038 204 VAL D N 13602 C CA . VAL D 204 ? 0.5002 0.4848 0.5073 0.0054 0.0023 -0.0043 204 VAL D CA 13603 C C . VAL D 204 ? 0.7616 0.7459 0.7698 0.0057 0.0021 -0.0041 204 VAL D C 13604 O O . VAL D 204 ? 0.7868 0.7703 0.7952 0.0056 0.0017 -0.0041 204 VAL D O 13605 C CB . VAL D 204 ? 0.4223 0.4066 0.4287 0.0058 0.0027 -0.0050 204 VAL D CB 13606 C CG1 . VAL D 204 ? 0.5639 0.5469 0.5701 0.0062 0.0025 -0.0056 204 VAL D CG1 13607 C CG2 . VAL D 204 ? 0.3025 0.2870 0.3078 0.0055 0.0029 -0.0052 204 VAL D CG2 13608 O OXT . VAL D 204 ? 0.6333 0.6183 0.6422 0.0062 0.0023 -0.0039 204 VAL D OXT 13618 N N . HIS E 1 ? 0.3742 0.4030 0.3911 -0.0037 -0.0070 0.0148 1 HIS E N 13619 C CA . HIS E 1 ? 0.4318 0.4608 0.4491 -0.0032 -0.0072 0.0160 1 HIS E CA 13620 C C . HIS E 1 ? 0.3123 0.3409 0.3283 -0.0037 -0.0072 0.0158 1 HIS E C 13621 O O . HIS E 1 ? 0.2819 0.3120 0.2978 -0.0038 -0.0076 0.0167 1 HIS E O 13622 C CB . HIS E 1 ? 0.5821 0.6136 0.6003 -0.0031 -0.0077 0.0172 1 HIS E CB 13623 C CG . HIS E 1 ? 0.7115 0.7432 0.7312 -0.0025 -0.0077 0.0176 1 HIS E CG 13624 N ND1 . HIS E 1 ? 0.7756 0.8062 0.7966 -0.0016 -0.0075 0.0183 1 HIS E ND1 13625 C CD2 . HIS E 1 ? 0.8763 0.9091 0.8963 -0.0027 -0.0077 0.0172 1 HIS E CD2 13626 C CE1 . HIS E 1 ? 0.9712 1.0022 0.9932 -0.0012 -0.0075 0.0184 1 HIS E CE1 13627 N NE2 . HIS E 1 ? 1.0106 1.0432 1.0322 -0.0018 -0.0076 0.0178 1 HIS E NE2 13637 N N . THR E 2 ? 0.1763 0.2032 0.1914 -0.0039 -0.0068 0.0146 2 THR E N 13638 C CA . THR E 2 ? 0.1300 0.1559 0.1442 -0.0040 -0.0067 0.0145 2 THR E CA 13639 C C . THR E 2 ? 0.1109 0.1343 0.1254 -0.0035 -0.0063 0.0143 2 THR E C 13640 O O . THR E 2 ? 0.1182 0.1402 0.1329 -0.0033 -0.0060 0.0135 2 THR E O 13641 C CB . THR E 2 ? 0.1588 0.1848 0.1714 -0.0048 -0.0066 0.0133 2 THR E CB 13642 O OG1 . THR E 2 ? 0.2568 0.2852 0.2691 -0.0053 -0.0070 0.0135 2 THR E OG1 13643 C CG2 . THR E 2 ? 0.1899 0.2152 0.2017 -0.0049 -0.0065 0.0133 2 THR E CG2 13651 N N . ASP E 3 ? 0.1061 0.1289 0.1209 -0.0032 -0.0063 0.0151 3 ASP E N 13652 C CA . ASP E 3 ? 0.0831 0.1035 0.0980 -0.0028 -0.0060 0.0149 3 ASP E CA 13653 C C . ASP E 3 ? 0.0867 0.1061 0.1004 -0.0032 -0.0057 0.0139 3 ASP E C 13654 O O . ASP E 3 ? 0.1070 0.1270 0.1200 -0.0035 -0.0058 0.0142 3 ASP E O 13655 C CB . ASP E 3 ? 0.1005 0.1209 0.1165 -0.0023 -0.0062 0.0162 3 ASP E CB 13656 C CG . ASP E 3 ? 0.1379 0.1559 0.1542 -0.0019 -0.0059 0.0161 3 ASP E CG 13657 O OD1 . ASP E 3 ? 0.1035 0.1199 0.1194 -0.0019 -0.0056 0.0150 3 ASP E OD1 13658 O OD2 . ASP E 3 ? 0.1302 0.1479 0.1471 -0.0016 -0.0061 0.0172 3 ASP E OD2 13663 N N . LEU E 4 ? 0.0740 0.0918 0.0873 -0.0032 -0.0054 0.0127 4 LEU E N 13664 C CA . LEU E 4 ? 0.0754 0.0922 0.0875 -0.0036 -0.0051 0.0117 4 LEU E CA 13665 C C . LEU E 4 ? 0.0902 0.1048 0.1025 -0.0031 -0.0048 0.0116 4 LEU E C 13666 O O . LEU E 4 ? 0.0805 0.0939 0.0920 -0.0033 -0.0046 0.0107 4 LEU E O 13667 C CB . LEU E 4 ? 0.0883 0.1047 0.0997 -0.0039 -0.0049 0.0104 4 LEU E CB 13668 C CG . LEU E 4 ? 0.1081 0.1266 0.1189 -0.0045 -0.0052 0.0103 4 LEU E CG 13669 C CD1 . LEU E 4 ? 0.1347 0.1526 0.1449 -0.0048 -0.0049 0.0091 4 LEU E CD1 13670 C CD2 . LEU E 4 ? 0.1220 0.1418 0.1319 -0.0049 -0.0053 0.0104 4 LEU E CD2 13682 N N . SER E 5 ? 0.0950 0.1092 0.1085 -0.0026 -0.0049 0.0126 5 SER E N 13683 C CA . SER E 5 ? 0.0829 0.0951 0.0967 -0.0023 -0.0047 0.0125 5 SER E CA 13684 C C . SER E 5 ? 0.0951 0.1071 0.1080 -0.0027 -0.0046 0.0123 5 SER E C 13685 O O . SER E 5 ? 0.1009 0.1143 0.1134 -0.0030 -0.0049 0.0129 5 SER E O 13686 C CB . SER E 5 ? 0.0902 0.1022 0.1052 -0.0018 -0.0050 0.0138 5 SER E CB 13687 O OG . SER E 5 ? 0.1084 0.1206 0.1244 -0.0013 -0.0050 0.0141 5 SER E OG 13693 N N . GLY E 6 ? 0.0951 0.1053 0.1075 -0.0026 -0.0043 0.0114 6 GLY E N 13694 C CA . GLY E 6 ? 0.0976 0.1075 0.1092 -0.0029 -0.0042 0.0111 6 GLY E CA 13695 C C . GLY E 6 ? 0.0742 0.0850 0.0845 -0.0034 -0.0041 0.0103 6 GLY E C 13696 O O . GLY E 6 ? 0.1127 0.1235 0.1223 -0.0037 -0.0040 0.0102 6 GLY E O 13700 N N . LYS E 7 ? 0.0717 0.0832 0.0817 -0.0036 -0.0042 0.0098 7 LYS E N 13701 C CA A LYS E 7 ? 0.0854 0.0979 0.0942 -0.0041 -0.0041 0.0091 7 LYS E CA 13702 C CA B LYS E 7 ? 0.0853 0.0978 0.0941 -0.0041 -0.0041 0.0091 7 LYS E CA 13703 C C . LYS E 7 ? 0.0749 0.0865 0.0833 -0.0042 -0.0039 0.0079 7 LYS E C 13704 O O . LYS E 7 ? 0.0928 0.1036 0.1019 -0.0039 -0.0038 0.0079 7 LYS E O 13705 C CB A LYS E 7 ? 0.0859 0.1007 0.0948 -0.0044 -0.0045 0.0097 7 LYS E CB 13706 C CB B LYS E 7 ? 0.1003 0.1151 0.1091 -0.0044 -0.0044 0.0097 7 LYS E CB 13707 C CG A LYS E 7 ? 0.1102 0.1260 0.1195 -0.0043 -0.0047 0.0110 7 LYS E CG 13708 C CG B LYS E 7 ? 0.0928 0.1087 0.1018 -0.0044 -0.0047 0.0108 7 LYS E CG 13709 C CD A LYS E 7 ? 0.1441 0.1623 0.1534 -0.0046 -0.0051 0.0117 7 LYS E CD 13710 C CD B LYS E 7 ? 0.1028 0.1209 0.1117 -0.0047 -0.0050 0.0115 7 LYS E CD 13711 C CE A LYS E 7 ? 0.2061 0.2253 0.2159 -0.0045 -0.0053 0.0131 7 LYS E CE 13712 C CE B LYS E 7 ? 0.1897 0.2089 0.1990 -0.0047 -0.0052 0.0128 7 LYS E CE 13713 N NZ A LYS E 7 ? 0.2499 0.2714 0.2594 -0.0048 -0.0057 0.0138 7 LYS E NZ 13714 N NZ B LYS E 7 ? 0.3045 0.3228 0.3135 -0.0046 -0.0050 0.0128 7 LYS E NZ 13741 N N . VAL E 8 ? 0.0697 0.0814 0.0770 -0.0046 -0.0037 0.0070 8 VAL E N 13742 C CA . VAL E 8 ? 0.0711 0.0820 0.0778 -0.0048 -0.0035 0.0059 8 VAL E CA 13743 C C . VAL E 8 ? 0.0683 0.0807 0.0742 -0.0054 -0.0037 0.0055 8 VAL E C 13744 O O . VAL E 8 ? 0.0826 0.0963 0.0880 -0.0056 -0.0038 0.0058 8 VAL E O 13745 C CB . VAL E 8 ? 0.0858 0.0950 0.0918 -0.0047 -0.0032 0.0050 8 VAL E CB 13746 C CG1 . VAL E 8 ? 0.1018 0.1095 0.1086 -0.0042 -0.0030 0.0053 8 VAL E CG1 13747 C CG2 . VAL E 8 ? 0.1099 0.1196 0.1151 -0.0049 -0.0031 0.0049 8 VAL E CG2 13757 N N . PHE E 9 ? 0.0593 0.0715 0.0650 -0.0056 -0.0036 0.0048 9 PHE E N 13758 C CA . PHE E 9 ? 0.0650 0.0779 0.0697 -0.0062 -0.0036 0.0039 9 PHE E CA 13759 C C . PHE E 9 ? 0.0732 0.0846 0.0769 -0.0062 -0.0033 0.0029 9 PHE E C 13760 O O . PHE E 9 ? 0.0759 0.0856 0.0798 -0.0059 -0.0030 0.0025 9 PHE E O 13761 C CB . PHE E 9 ? 0.0804 0.0936 0.0854 -0.0065 -0.0037 0.0035 9 PHE E CB 13762 C CG . PHE E 9 ? 0.0747 0.0895 0.0806 -0.0065 -0.0040 0.0044 9 PHE E CG 13763 C CD1 . PHE E 9 ? 0.0876 0.1044 0.0933 -0.0068 -0.0044 0.0049 9 PHE E CD1 13764 C CD2 . PHE E 9 ? 0.0972 0.1117 0.1041 -0.0062 -0.0040 0.0047 9 PHE E CD2 13765 C CE1 . PHE E 9 ? 0.1014 0.1199 0.1080 -0.0068 -0.0048 0.0058 9 PHE E CE1 13766 C CE2 . PHE E 9 ? 0.0891 0.1052 0.0968 -0.0062 -0.0043 0.0055 9 PHE E CE2 13767 C CZ . PHE E 9 ? 0.0927 0.1107 0.1003 -0.0064 -0.0047 0.0061 9 PHE E CZ 13777 N N . VAL E 10 ? 0.0619 0.0740 0.0647 -0.0065 -0.0033 0.0025 10 VAL E N 13778 C CA . VAL E 10 ? 0.0845 0.0955 0.0864 -0.0066 -0.0030 0.0015 10 VAL E CA 13779 C C . VAL E 10 ? 0.0621 0.0734 0.0631 -0.0071 -0.0031 0.0006 10 VAL E C 13780 O O . VAL E 10 ? 0.0780 0.0910 0.0787 -0.0075 -0.0033 0.0006 10 VAL E O 13781 C CB . VAL E 10 ? 0.0823 0.0936 0.0836 -0.0064 -0.0030 0.0017 10 VAL E CB 13782 C CG1 . VAL E 10 ? 0.0863 0.0963 0.0867 -0.0064 -0.0026 0.0007 10 VAL E CG1 13783 C CG2 . VAL E 10 ? 0.0928 0.1042 0.0950 -0.0060 -0.0030 0.0028 10 VAL E CG2 13793 N N . PHE E 11 ? 0.0691 0.0788 0.0699 -0.0072 -0.0028 -0.0002 11 PHE E N 13794 C CA . PHE E 11 ? 0.0690 0.0786 0.0690 -0.0077 -0.0028 -0.0013 11 PHE E CA 13795 C C . PHE E 11 ? 0.0687 0.0772 0.0677 -0.0076 -0.0025 -0.0021 11 PHE E C 13796 O O . PHE E 11 ? 0.0738 0.0805 0.0728 -0.0073 -0.0022 -0.0024 11 PHE E O 13797 C CB . PHE E 11 ? 0.0651 0.0735 0.0655 -0.0078 -0.0027 -0.0016 11 PHE E CB 13798 C CG . PHE E 11 ? 0.0647 0.0742 0.0662 -0.0078 -0.0029 -0.0008 11 PHE E CG 13799 C CD1 . PHE E 11 ? 0.0800 0.0891 0.0824 -0.0073 -0.0029 0.0001 11 PHE E CD1 13800 C CD2 . PHE E 11 ? 0.0936 0.1045 0.0952 -0.0084 -0.0032 -0.0008 11 PHE E CD2 13801 C CE1 . PHE E 11 ? 0.0858 0.0958 0.0892 -0.0072 -0.0031 0.0008 11 PHE E CE1 13802 C CE2 . PHE E 11 ? 0.1015 0.1134 0.1041 -0.0083 -0.0035 0.0000 11 PHE E CE2 13803 C CZ . PHE E 11 ? 0.0968 0.1084 0.1004 -0.0077 -0.0034 0.0008 11 PHE E CZ 13813 N N . PRO E 12 ? 0.0803 0.0899 0.0786 -0.0077 -0.0026 -0.0023 12 PRO E N 13814 C CA . PRO E 12 ? 0.0710 0.0797 0.0685 -0.0074 -0.0023 -0.0028 12 PRO E CA 13815 C C . PRO E 12 ? 0.0879 0.0953 0.0845 -0.0075 -0.0020 -0.0040 12 PRO E C 13816 O O . PRO E 12 ? 0.0892 0.0959 0.0853 -0.0072 -0.0018 -0.0045 12 PRO E O 13817 C CB . PRO E 12 ? 0.0972 0.1079 0.0944 -0.0075 -0.0024 -0.0024 12 PRO E CB 13818 C CG . PRO E 12 ? 0.1099 0.1223 0.1077 -0.0077 -0.0028 -0.0015 12 PRO E CG 13819 C CD . PRO E 12 ? 0.0827 0.0944 0.0807 -0.0081 -0.0029 -0.0019 12 PRO E CD 13827 N N . ARG E 13 ? 0.0796 0.0868 0.0761 -0.0080 -0.0021 -0.0046 13 ARG E N 13828 C CA . ARG E 13 ? 0.1019 0.1079 0.0976 -0.0083 -0.0019 -0.0058 13 ARG E CA 13829 C C . ARG E 13 ? 0.0855 0.0906 0.0815 -0.0087 -0.0020 -0.0061 13 ARG E C 13830 O O . ARG E 13 ? 0.1095 0.1155 0.1062 -0.0089 -0.0023 -0.0055 13 ARG E O 13831 C CB . ARG E 13 ? 0.1040 0.1111 0.0986 -0.0087 -0.0021 -0.0065 13 ARG E CB 13832 C CG . ARG E 13 ? 0.1792 0.1879 0.1740 -0.0093 -0.0025 -0.0063 13 ARG E CG 13833 C CD . ARG E 13 ? 0.1725 0.1821 0.1663 -0.0099 -0.0027 -0.0072 13 ARG E CD 13834 N NE . ARG E 13 ? 0.1297 0.1409 0.1238 -0.0105 -0.0031 -0.0069 13 ARG E NE 13835 C CZ . ARG E 13 ? 0.1572 0.1699 0.1506 -0.0110 -0.0034 -0.0074 13 ARG E CZ 13836 N NH1 . ARG E 13 ? 0.1843 0.1969 0.1765 -0.0110 -0.0033 -0.0083 13 ARG E NH1 13837 N NH2 . ARG E 13 ? 0.1599 0.1741 0.1537 -0.0115 -0.0038 -0.0070 13 ARG E NH2 13851 N N . GLU E 14 ? 0.0845 0.0879 0.0799 -0.0087 -0.0018 -0.0070 14 GLU E N 13852 C CA . GLU E 14 ? 0.0848 0.0874 0.0805 -0.0092 -0.0018 -0.0074 14 GLU E CA 13853 C C . GLU E 14 ? 0.0935 0.0973 0.0887 -0.0100 -0.0021 -0.0079 14 GLU E C 13854 O O . GLU E 14 ? 0.0977 0.1018 0.0919 -0.0101 -0.0021 -0.0086 14 GLU E O 13855 C CB . GLU E 14 ? 0.0917 0.0921 0.0869 -0.0091 -0.0015 -0.0081 14 GLU E CB 13856 C CG . GLU E 14 ? 0.1010 0.1005 0.0964 -0.0096 -0.0015 -0.0084 14 GLU E CG 13857 C CD . GLU E 14 ? 0.1291 0.1264 0.1244 -0.0094 -0.0011 -0.0089 14 GLU E CD 13858 O OE1 . GLU E 14 ? 0.1424 0.1388 0.1380 -0.0087 -0.0009 -0.0084 14 GLU E OE1 13859 O OE2 . GLU E 14 ? 0.1552 0.1515 0.1499 -0.0099 -0.0011 -0.0097 14 GLU E OE2 13866 N N . SER E 15 ? 0.0892 0.0936 0.0850 -0.0105 -0.0024 -0.0077 15 SER E N 13867 C CA . SER E 15 ? 0.0862 0.0918 0.0816 -0.0113 -0.0027 -0.0081 15 SER E CA 13868 C C . SER E 15 ? 0.0833 0.0888 0.0795 -0.0118 -0.0028 -0.0079 15 SER E C 13869 O O . SER E 15 ? 0.0877 0.0924 0.0847 -0.0115 -0.0027 -0.0073 15 SER E O 13870 C CB . SER E 15 ? 0.0971 0.1051 0.0926 -0.0114 -0.0031 -0.0075 15 SER E CB 13871 O OG . SER E 15 ? 0.1002 0.1092 0.0969 -0.0113 -0.0032 -0.0064 15 SER E OG 13877 N N . VAL E 16 ? 0.0916 0.0979 0.0876 -0.0127 -0.0032 -0.0084 16 VAL E N 13878 C CA A VAL E 16 ? 0.1089 0.1157 0.1057 -0.0132 -0.0034 -0.0082 16 VAL E CA 13879 C CA B VAL E 16 ? 0.1154 0.1221 0.1122 -0.0132 -0.0033 -0.0081 16 VAL E CA 13880 C C . VAL E 16 ? 0.1314 0.1405 0.1290 -0.0132 -0.0037 -0.0072 16 VAL E C 13881 O O . VAL E 16 ? 0.1898 0.1992 0.1884 -0.0132 -0.0037 -0.0065 16 VAL E O 13882 C CB A VAL E 16 ? 0.1332 0.1399 0.1295 -0.0142 -0.0036 -0.0092 16 VAL E CB 13883 C CB B VAL E 16 ? 0.1258 0.1320 0.1221 -0.0141 -0.0035 -0.0092 16 VAL E CB 13884 C CG1 A VAL E 16 ? 0.1322 0.1393 0.1294 -0.0148 -0.0037 -0.0089 16 VAL E CG1 13885 C CG1 B VAL E 16 ? 0.1371 0.1408 0.1328 -0.0140 -0.0031 -0.0100 16 VAL E CG1 13886 C CG2 A VAL E 16 ? 0.1295 0.1340 0.1249 -0.0142 -0.0033 -0.0102 16 VAL E CG2 13887 C CG2 B VAL E 16 ? 0.1173 0.1249 0.1127 -0.0146 -0.0038 -0.0098 16 VAL E CG2 13906 N N . THR E 17 ? 0.1185 0.1292 0.1157 -0.0132 -0.0040 -0.0070 17 THR E N 13907 C CA . THR E 17 ? 0.1232 0.1362 0.1210 -0.0134 -0.0044 -0.0061 17 THR E CA 13908 C C . THR E 17 ? 0.1053 0.1195 0.1037 -0.0126 -0.0044 -0.0050 17 THR E C 13909 O O . THR E 17 ? 0.1320 0.1480 0.1311 -0.0127 -0.0047 -0.0042 17 THR E O 13910 C CB . THR E 17 ? 0.1937 0.2084 0.1908 -0.0141 -0.0048 -0.0068 17 THR E CB 13911 O OG1 . THR E 17 ? 0.2051 0.2194 0.2010 -0.0139 -0.0047 -0.0074 17 THR E OG1 13912 C CG2 . THR E 17 ? 0.2214 0.2354 0.2183 -0.0150 -0.0049 -0.0076 17 THR E CG2 13920 N N . ASP E 18 ? 0.0947 0.1078 0.0928 -0.0119 -0.0041 -0.0049 18 ASP E N 13921 C CA . ASP E 18 ? 0.0969 0.1110 0.0956 -0.0113 -0.0041 -0.0038 18 ASP E CA 13922 C C . ASP E 18 ? 0.0834 0.0972 0.0834 -0.0109 -0.0040 -0.0029 18 ASP E C 13923 O O . ASP E 18 ? 0.0794 0.0913 0.0796 -0.0107 -0.0037 -0.0032 18 ASP E O 13924 C CB . ASP E 18 ? 0.0751 0.0880 0.0733 -0.0106 -0.0038 -0.0039 18 ASP E CB 13925 C CG . ASP E 18 ? 0.0945 0.1075 0.0914 -0.0108 -0.0037 -0.0048 18 ASP E CG 13926 O OD1 . ASP E 18 ? 0.1192 0.1338 0.1156 -0.0114 -0.0041 -0.0050 18 ASP E OD1 13927 O OD2 . ASP E 18 ? 0.1145 0.1261 0.1109 -0.0104 -0.0034 -0.0052 18 ASP E OD2 13932 N N . HIS E 19 ? 0.0818 0.0973 0.0827 -0.0108 -0.0043 -0.0019 19 HIS E N 13933 C CA . HIS E 19 ? 0.0986 0.1139 0.1007 -0.0104 -0.0043 -0.0011 19 HIS E CA 13934 C C . HIS E 19 ? 0.0908 0.1081 0.0938 -0.0101 -0.0046 0.0001 19 HIS E C 13935 O O . HIS E 19 ? 0.0893 0.1081 0.0918 -0.0104 -0.0049 0.0003 19 HIS E O 13936 C CB . HIS E 19 ? 0.0917 0.1068 0.0942 -0.0110 -0.0043 -0.0015 19 HIS E CB 13937 C CG . HIS E 19 ? 0.0942 0.1114 0.0968 -0.0117 -0.0048 -0.0014 19 HIS E CG 13938 N ND1 . HIS E 19 ? 0.1063 0.1241 0.1079 -0.0124 -0.0050 -0.0023 19 HIS E ND1 13939 C CD2 . HIS E 19 ? 0.1189 0.1378 0.1226 -0.0118 -0.0050 -0.0007 19 HIS E CD2 13940 C CE1 . HIS E 19 ? 0.1124 0.1321 0.1144 -0.0130 -0.0054 -0.0021 19 HIS E CE1 13941 N NE2 . HIS E 19 ? 0.1507 0.1712 0.1540 -0.0126 -0.0055 -0.0011 19 HIS E NE2 13949 N N . VAL E 20 ? 0.0856 0.1025 0.0897 -0.0096 -0.0045 0.0009 20 VAL E N 13950 C CA . VAL E 20 ? 0.0740 0.0926 0.0792 -0.0093 -0.0048 0.0021 20 VAL E CA 13951 C C . VAL E 20 ? 0.0759 0.0950 0.0821 -0.0094 -0.0048 0.0023 20 VAL E C 13952 O O . VAL E 20 ? 0.0937 0.1113 0.1002 -0.0092 -0.0045 0.0020 20 VAL E O 13953 C CB . VAL E 20 ? 0.0891 0.1068 0.0947 -0.0085 -0.0046 0.0028 20 VAL E CB 13954 C CG1 . VAL E 20 ? 0.1150 0.1343 0.1218 -0.0081 -0.0049 0.0041 20 VAL E CG1 13955 C CG2 . VAL E 20 ? 0.0973 0.1146 0.1020 -0.0084 -0.0045 0.0026 20 VAL E CG2 13965 N N . ASN E 21 ? 0.0839 0.1052 0.0906 -0.0097 -0.0052 0.0029 21 ASN E N 13966 C CA . ASN E 21 ? 0.0815 0.1036 0.0894 -0.0096 -0.0053 0.0034 21 ASN E CA 13967 C C . ASN E 21 ? 0.0924 0.1149 0.1015 -0.0088 -0.0053 0.0046 21 ASN E C 13968 O O . ASN E 21 ? 0.1053 0.1288 0.1144 -0.0085 -0.0056 0.0053 21 ASN E O 13969 C CB . ASN E 21 ? 0.0989 0.1233 0.1070 -0.0103 -0.0058 0.0035 21 ASN E CB 13970 C CG . ASN E 21 ? 0.1199 0.1441 0.1269 -0.0113 -0.0059 0.0022 21 ASN E CG 13971 O OD1 . ASN E 21 ? 0.1240 0.1464 0.1306 -0.0115 -0.0055 0.0014 21 ASN E OD1 13972 N ND2 . ASN E 21 ? 0.1324 0.1584 0.1388 -0.0119 -0.0063 0.0022 21 ASN E ND2 13979 N N . LEU E 22 ? 0.0864 0.1080 0.0964 -0.0083 -0.0050 0.0048 22 LEU E N 13980 C CA . LEU E 22 ? 0.0900 0.1119 0.1012 -0.0075 -0.0050 0.0058 22 LEU E CA 13981 C C . LEU E 22 ? 0.0896 0.1133 0.1020 -0.0075 -0.0052 0.0064 22 LEU E C 13982 O O . LEU E 22 ? 0.1151 0.1387 0.1277 -0.0078 -0.0051 0.0059 22 LEU E O 13983 C CB . LEU E 22 ? 0.0884 0.1080 0.0998 -0.0068 -0.0045 0.0056 22 LEU E CB 13984 C CG . LEU E 22 ? 0.1027 0.1205 0.1131 -0.0067 -0.0042 0.0050 22 LEU E CG 13985 C CD1 . LEU E 22 ? 0.1238 0.1396 0.1345 -0.0060 -0.0038 0.0049 22 LEU E CD1 13986 C CD2 . LEU E 22 ? 0.0943 0.1126 0.1044 -0.0065 -0.0045 0.0056 22 LEU E CD2 13998 N N . ILE E 23 ? 0.1103 0.1357 0.1235 -0.0072 -0.0056 0.0074 23 ILE E N 13999 C CA A ILE E 23 ? 0.1467 0.1742 0.1609 -0.0072 -0.0059 0.0081 23 ILE E CA 14000 C CA B ILE E 23 ? 0.1486 0.1761 0.1628 -0.0072 -0.0059 0.0081 23 ILE E CA 14001 C C . ILE E 23 ? 0.1295 0.1569 0.1452 -0.0063 -0.0057 0.0089 23 ILE E C 14002 O O . ILE E 23 ? 0.1541 0.1809 0.1701 -0.0056 -0.0057 0.0096 23 ILE E O 14003 C CB A ILE E 23 ? 0.1573 0.1871 0.1715 -0.0076 -0.0065 0.0087 23 ILE E CB 14004 C CB B ILE E 23 ? 0.1534 0.1832 0.1676 -0.0075 -0.0065 0.0087 23 ILE E CB 14005 C CG1 A ILE E 23 ? 0.1931 0.2231 0.2058 -0.0086 -0.0067 0.0077 23 ILE E CG1 14006 C CG1 B ILE E 23 ? 0.2055 0.2352 0.2181 -0.0084 -0.0066 0.0079 23 ILE E CG1 14007 C CG2 A ILE E 23 ? 0.1881 0.2202 0.2035 -0.0076 -0.0068 0.0095 23 ILE E CG2 14008 C CG2 B ILE E 23 ? 0.1881 0.2202 0.2033 -0.0077 -0.0068 0.0094 23 ILE E CG2 14009 C CD1 A ILE E 23 ? 0.2523 0.2839 0.2644 -0.0088 -0.0071 0.0082 23 ILE E CD1 14010 C CD1 B ILE E 23 ? 0.2030 0.2327 0.2150 -0.0093 -0.0066 0.0068 23 ILE E CD1 14033 N N . THR E 24 ? 0.2061 0.2339 0.2226 -0.0062 -0.0055 0.0089 24 THR E N 14034 C CA . THR E 24 ? 0.2368 0.2646 0.2547 -0.0053 -0.0054 0.0096 24 THR E CA 14035 C C . THR E 24 ? 0.2237 0.2538 0.2427 -0.0056 -0.0056 0.0100 24 THR E C 14036 O O . THR E 24 ? 0.2966 0.3272 0.3152 -0.0064 -0.0056 0.0093 24 THR E O 14037 C CB . THR E 24 ? 0.2446 0.2700 0.2625 -0.0048 -0.0048 0.0090 24 THR E CB 14038 O OG1 . THR E 24 ? 0.2965 0.3219 0.3157 -0.0039 -0.0046 0.0097 24 THR E OG1 14039 C CG2 . THR E 24 ? 0.3238 0.3490 0.3413 -0.0055 -0.0045 0.0081 24 THR E CG2 14047 N N . PRO E 25 ? 0.3304 0.3619 0.3507 -0.0049 -0.0058 0.0111 25 PRO E N 14048 C CA . PRO E 25 ? 0.4341 0.4679 0.4556 -0.0050 -0.0060 0.0115 25 PRO E CA 14049 C C . PRO E 25 ? 0.4362 0.4691 0.4585 -0.0045 -0.0054 0.0112 25 PRO E C 14050 O O . PRO E 25 ? 0.4305 0.4643 0.4542 -0.0038 -0.0053 0.0119 25 PRO E O 14051 C CB . PRO E 25 ? 0.3575 0.3927 0.3801 -0.0042 -0.0063 0.0128 25 PRO E CB 14052 C CG . PRO E 25 ? 0.3769 0.4099 0.3994 -0.0033 -0.0060 0.0130 25 PRO E CG 14053 C CD . PRO E 25 ? 0.3201 0.3511 0.3410 -0.0039 -0.0058 0.0120 25 PRO E CD 14061 N N . LEU E 26 ? 0.2501 0.2814 0.2715 -0.0050 -0.0050 0.0102 26 LEU E N 14062 C CA . LEU E 26 ? 0.1752 0.2057 0.1972 -0.0046 -0.0045 0.0099 26 LEU E CA 14063 C C . LEU E 26 ? 0.3085 0.3408 0.3312 -0.0052 -0.0045 0.0098 26 LEU E C 14064 O O . LEU E 26 ? 0.3328 0.3650 0.3546 -0.0062 -0.0045 0.0090 26 LEU E O 14065 C CB . LEU E 26 ? 0.3162 0.3440 0.3370 -0.0047 -0.0040 0.0089 26 LEU E CB 14066 C CG . LEU E 26 ? 0.3920 0.4187 0.4133 -0.0042 -0.0034 0.0086 26 LEU E CG 14067 C CD1 . LEU E 26 ? 0.4076 0.4341 0.4300 -0.0029 -0.0032 0.0093 26 LEU E CD1 14068 C CD2 . LEU E 26 ? 0.5002 0.5245 0.5202 -0.0044 -0.0030 0.0076 26 LEU E CD2 14080 N N . GLU E 27 ? 0.3005 0.3343 0.3246 -0.0046 -0.0044 0.0105 27 GLU E N 14081 C CA . GLU E 27 ? 0.3746 0.4105 0.3997 -0.0050 -0.0045 0.0106 27 GLU E CA 14082 C C . GLU E 27 ? 0.2691 0.3044 0.2948 -0.0047 -0.0038 0.0103 27 GLU E C 14083 O O . GLU E 27 ? 0.4072 0.4437 0.4332 -0.0053 -0.0038 0.0101 27 GLU E O 14084 C CB . GLU E 27 ? 0.4059 0.4444 0.4323 -0.0046 -0.0050 0.0118 27 GLU E CB 14085 C CG . GLU E 27 ? 0.5670 0.6057 0.5929 -0.0046 -0.0055 0.0123 27 GLU E CG 14086 C CD . GLU E 27 ? 0.8226 0.8638 0.8498 -0.0041 -0.0060 0.0135 27 GLU E CD 14087 O OE1 . GLU E 27 ? 0.8650 0.9085 0.8934 -0.0043 -0.0061 0.0138 27 GLU E OE1 14088 O OE2 . GLU E 27 ? 0.8843 0.9254 0.9116 -0.0035 -0.0062 0.0142 27 GLU E OE2 14095 N N . LYS E 28 ? 0.2534 0.2868 0.2791 -0.0036 -0.0034 0.0103 28 LYS E N 14096 C CA . LYS E 28 ? 0.2672 0.3001 0.2935 -0.0031 -0.0027 0.0101 28 LYS E CA 14097 C C . LYS E 28 ? 0.1969 0.2272 0.2218 -0.0035 -0.0023 0.0090 28 LYS E C 14098 O O . LYS E 28 ? 0.2652 0.2936 0.2892 -0.0033 -0.0023 0.0087 28 LYS E O 14099 C CB . LYS E 28 ? 0.4245 0.4569 0.4518 -0.0017 -0.0025 0.0106 28 LYS E CB 14100 C CG . LYS E 28 ? 0.5923 0.6272 0.6212 -0.0011 -0.0028 0.0117 28 LYS E CG 14101 C CD . LYS E 28 ? 0.6923 0.7265 0.7217 0.0000 -0.0029 0.0124 28 LYS E CD 14102 C CE . LYS E 28 ? 0.6414 0.6747 0.6717 0.0013 -0.0023 0.0124 28 LYS E CE 14103 N NZ . LYS E 28 ? 0.4830 0.5159 0.5140 0.0024 -0.0025 0.0132 28 LYS E NZ 14117 N N . PRO E 29 ? 0.2193 0.2499 0.2442 -0.0040 -0.0019 0.0086 29 PRO E N 14118 C CA . PRO E 29 ? 0.1855 0.2137 0.2092 -0.0043 -0.0015 0.0077 29 PRO E CA 14119 C C . PRO E 29 ? 0.2282 0.2544 0.2518 -0.0031 -0.0011 0.0076 29 PRO E C 14120 O O . PRO E 29 ? 0.2395 0.2662 0.2641 -0.0021 -0.0009 0.0082 29 PRO E O 14121 C CB . PRO E 29 ? 0.2023 0.2315 0.2265 -0.0048 -0.0011 0.0075 29 PRO E CB 14122 C CG . PRO E 29 ? 0.3383 0.3703 0.3635 -0.0054 -0.0016 0.0081 29 PRO E CG 14123 C CD . PRO E 29 ? 0.2610 0.2940 0.2870 -0.0045 -0.0020 0.0089 29 PRO E CD 14131 N N . LEU E 30 ? 0.1708 0.1947 0.1930 -0.0033 -0.0009 0.0069 30 LEU E N 14132 C CA . LEU E 30 ? 0.1430 0.1649 0.1649 -0.0024 -0.0006 0.0068 30 LEU E CA 14133 C C . LEU E 30 ? 0.1521 0.1730 0.1739 -0.0021 0.0001 0.0063 30 LEU E C 14134 O O . LEU E 30 ? 0.1505 0.1707 0.1715 -0.0028 0.0003 0.0057 30 LEU E O 14135 C CB . LEU E 30 ? 0.1563 0.1762 0.1768 -0.0027 -0.0008 0.0063 30 LEU E CB 14136 C CG . LEU E 30 ? 0.2576 0.2780 0.2779 -0.0029 -0.0013 0.0067 30 LEU E CG 14137 C CD1 . LEU E 30 ? 0.2251 0.2437 0.2439 -0.0034 -0.0014 0.0060 30 LEU E CD1 14138 C CD2 . LEU E 30 ? 0.2776 0.2981 0.2988 -0.0018 -0.0014 0.0073 30 LEU E CD2 14150 N N . GLN E 31 ? 0.1218 0.1424 0.1443 -0.0010 0.0004 0.0065 31 GLN E N 14151 C CA . GLN E 31 ? 0.1220 0.1416 0.1444 -0.0005 0.0010 0.0061 31 GLN E CA 14152 C C . GLN E 31 ? 0.1296 0.1466 0.1509 -0.0001 0.0012 0.0056 31 GLN E C 14153 O O . GLN E 31 ? 0.1639 0.1797 0.1846 -0.0001 0.0016 0.0050 31 GLN E O 14154 C CB . GLN E 31 ? 0.2092 0.2300 0.2331 0.0005 0.0013 0.0066 31 GLN E CB 14155 C CG . GLN E 31 ? 0.2927 0.3135 0.3166 0.0008 0.0019 0.0063 31 GLN E CG 14156 C CD . GLN E 31 ? 0.3755 0.3978 0.4009 0.0018 0.0022 0.0068 31 GLN E CD 14157 O OE1 . GLN E 31 ? 0.2552 0.2788 0.2817 0.0022 0.0019 0.0074 31 GLN E OE1 14158 N NE2 . GLN E 31 ? 0.3369 0.3592 0.3625 0.0021 0.0029 0.0065 31 GLN E NE2 14167 N N . ASN E 32 ? 0.1090 0.1254 0.1303 0.0003 0.0008 0.0058 32 ASN E N 14168 C CA . ASN E 32 ? 0.1098 0.1239 0.1303 0.0007 0.0009 0.0054 32 ASN E CA 14169 C C . ASN E 32 ? 0.0939 0.1076 0.1138 0.0003 0.0003 0.0056 32 ASN E C 14170 O O . ASN E 32 ? 0.0991 0.1143 0.1196 0.0002 -0.0001 0.0062 32 ASN E O 14171 C CB . ASN E 32 ? 0.1216 0.1351 0.1428 0.0019 0.0010 0.0057 32 ASN E CB 14172 C CG . ASN E 32 ? 0.2174 0.2318 0.2396 0.0026 0.0015 0.0057 32 ASN E CG 14173 O OD1 . ASN E 32 ? 0.2338 0.2474 0.2553 0.0025 0.0020 0.0051 32 ASN E OD1 14174 N ND2 . ASN E 32 ? 0.2855 0.3014 0.3090 0.0032 0.0015 0.0064 32 ASN E ND2 14179 N N . PHE E 33 ? 0.0844 0.0963 0.1030 0.0000 0.0003 0.0051 33 PHE E N 14180 C CA . PHE E 33 ? 0.0744 0.0858 0.0926 -0.0002 -0.0001 0.0053 33 PHE E CA 14181 C C . PHE E 33 ? 0.0804 0.0896 0.0976 0.0000 0.0000 0.0047 33 PHE E C 14182 O O . PHE E 33 ? 0.0795 0.0874 0.0961 0.0000 0.0004 0.0041 33 PHE E O 14183 C CB . PHE E 33 ? 0.0947 0.1071 0.1123 -0.0013 -0.0005 0.0052 33 PHE E CB 14184 C CG . PHE E 33 ? 0.0776 0.0890 0.0941 -0.0020 -0.0003 0.0044 33 PHE E CG 14185 C CD1 . PHE E 33 ? 0.0906 0.1004 0.1060 -0.0021 -0.0004 0.0040 33 PHE E CD1 14186 C CD2 . PHE E 33 ? 0.1038 0.1156 0.1202 -0.0024 0.0000 0.0041 33 PHE E CD2 14187 C CE1 . PHE E 33 ? 0.1018 0.1104 0.1161 -0.0027 -0.0002 0.0033 33 PHE E CE1 14188 C CE2 . PHE E 33 ? 0.1060 0.1166 0.1213 -0.0031 0.0001 0.0034 33 PHE E CE2 14189 C CZ . PHE E 33 ? 0.1051 0.1141 0.1193 -0.0032 0.0001 0.0030 33 PHE E CZ 14199 N N . THR E 34 ? 0.0708 0.0796 0.0879 0.0000 -0.0004 0.0050 34 THR E N 14200 C CA . THR E 34 ? 0.0711 0.0780 0.0872 0.0000 -0.0004 0.0046 34 THR E CA 14201 C C . THR E 34 ? 0.0718 0.0792 0.0873 -0.0006 -0.0008 0.0048 34 THR E C 14202 O O . THR E 34 ? 0.0838 0.0925 0.1000 -0.0006 -0.0012 0.0055 34 THR E O 14203 C CB . THR E 34 ? 0.0804 0.0861 0.0969 0.0009 -0.0003 0.0048 34 THR E CB 14204 O OG1 . THR E 34 ? 0.0893 0.0947 0.1063 0.0015 0.0001 0.0046 34 THR E OG1 14205 C CG2 . THR E 34 ? 0.0833 0.0871 0.0987 0.0008 -0.0003 0.0043 34 THR E CG2 14213 N N . LEU E 35 ? 0.0685 0.0748 0.0829 -0.0011 -0.0008 0.0042 35 LEU E N 14214 C CA . LEU E 35 ? 0.0661 0.0727 0.0799 -0.0017 -0.0012 0.0043 35 LEU E CA 14215 C C . LEU E 35 ? 0.0690 0.0738 0.0819 -0.0015 -0.0011 0.0040 35 LEU E C 14216 O O . LEU E 35 ? 0.0935 0.0970 0.1059 -0.0015 -0.0008 0.0033 35 LEU E O 14217 C CB . LEU E 35 ? 0.0732 0.0802 0.0861 -0.0025 -0.0011 0.0038 35 LEU E CB 14218 C CG . LEU E 35 ? 0.0997 0.1068 0.1118 -0.0031 -0.0014 0.0036 35 LEU E CG 14219 C CD1 . LEU E 35 ? 0.1163 0.1251 0.1289 -0.0033 -0.0019 0.0043 35 LEU E CD1 14220 C CD2 . LEU E 35 ? 0.1413 0.1484 0.1525 -0.0040 -0.0013 0.0029 35 LEU E CD2 14232 N N . CYS E 36 ? 0.0735 0.0784 0.0865 -0.0014 -0.0014 0.0044 36 CYS E N 14233 C CA . CYS E 36 ? 0.0984 0.1017 0.1107 -0.0013 -0.0014 0.0042 36 CYS E CA 14234 C C . CYS E 36 ? 0.0835 0.0875 0.0952 -0.0019 -0.0017 0.0043 36 CYS E C 14235 O O . CYS E 36 ? 0.0924 0.0980 0.1046 -0.0020 -0.0020 0.0049 36 CYS E O 14236 C CB . CYS E 36 ? 0.1542 0.1567 0.1672 -0.0006 -0.0014 0.0046 36 CYS E CB 14237 S SG . CYS E 36 ? 0.1650 0.1665 0.1787 0.0002 -0.0011 0.0044 36 CYS E SG 14242 N N . PHE E 37 ? 0.0704 0.0733 0.0812 -0.0021 -0.0017 0.0038 37 PHE E N 14243 C CA . PHE E 37 ? 0.0763 0.0798 0.0866 -0.0025 -0.0019 0.0040 37 PHE E CA 14244 C C . PHE E 37 ? 0.0789 0.0809 0.0883 -0.0025 -0.0018 0.0035 37 PHE E C 14245 O O . PHE E 37 ? 0.0819 0.0825 0.0911 -0.0023 -0.0015 0.0029 37 PHE E O 14246 C CB . PHE E 37 ? 0.0793 0.0841 0.0891 -0.0032 -0.0020 0.0037 37 PHE E CB 14247 C CG . PHE E 37 ? 0.0859 0.0899 0.0950 -0.0035 -0.0017 0.0028 37 PHE E CG 14248 C CD1 . PHE E 37 ? 0.1152 0.1195 0.1248 -0.0034 -0.0016 0.0028 37 PHE E CD1 14249 C CD2 . PHE E 37 ? 0.1008 0.1038 0.1088 -0.0038 -0.0016 0.0022 37 PHE E CD2 14250 C CE1 . PHE E 37 ? 0.1236 0.1271 0.1326 -0.0038 -0.0013 0.0020 37 PHE E CE1 14251 C CE2 . PHE E 37 ? 0.1446 0.1468 0.1521 -0.0040 -0.0014 0.0014 37 PHE E CE2 14252 C CZ . PHE E 37 ? 0.1267 0.1291 0.1347 -0.0041 -0.0012 0.0014 37 PHE E CZ 14262 N N . ARG E 38 ? 0.0704 0.0727 0.0794 -0.0027 -0.0020 0.0036 38 ARG E N 14263 C CA . ARG E 38 ? 0.0550 0.0561 0.0632 -0.0028 -0.0018 0.0031 38 ARG E CA 14264 C C . ARG E 38 ? 0.0883 0.0900 0.0955 -0.0033 -0.0018 0.0026 38 ARG E C 14265 O O . ARG E 38 ? 0.0944 0.0975 0.1016 -0.0037 -0.0021 0.0029 38 ARG E O 14266 C CB . ARG E 38 ? 0.1305 0.1316 0.1389 -0.0026 -0.0020 0.0037 38 ARG E CB 14267 C CG . ARG E 38 ? 0.2249 0.2255 0.2343 -0.0021 -0.0021 0.0043 38 ARG E CG 14268 C CD . ARG E 38 ? 0.1719 0.1726 0.1815 -0.0020 -0.0023 0.0049 38 ARG E CD 14269 N NE . ARG E 38 ? 0.1595 0.1599 0.1701 -0.0016 -0.0024 0.0055 38 ARG E NE 14270 C CZ . ARG E 38 ? 0.1350 0.1339 0.1459 -0.0011 -0.0023 0.0053 38 ARG E CZ 14271 N NH1 . ARG E 38 ? 0.1581 0.1558 0.1684 -0.0011 -0.0020 0.0045 38 ARG E NH1 14272 N NH2 . ARG E 38 ? 0.2234 0.2222 0.2353 -0.0007 -0.0024 0.0059 38 ARG E NH2 14286 N N . ALA E 39 ? 0.0819 0.0824 0.0883 -0.0034 -0.0016 0.0019 39 ALA E N 14287 C CA . ALA E 39 ? 0.0779 0.0786 0.0834 -0.0039 -0.0016 0.0013 39 ALA E CA 14288 C C . ALA E 39 ? 0.0921 0.0918 0.0969 -0.0038 -0.0014 0.0009 39 ALA E C 14289 O O . ALA E 39 ? 0.0959 0.0943 0.1008 -0.0034 -0.0013 0.0008 39 ALA E O 14290 C CB . ALA E 39 ? 0.0907 0.0912 0.0959 -0.0042 -0.0014 0.0007 39 ALA E CB 14296 N N . TYR E 40 ? 0.0559 0.0561 0.0600 -0.0041 -0.0015 0.0006 40 TYR E N 14297 C CA . TYR E 40 ? 0.0565 0.0559 0.0599 -0.0040 -0.0013 0.0002 40 TYR E CA 14298 C C . TYR E 40 ? 0.0686 0.0682 0.0711 -0.0044 -0.0013 -0.0005 40 TYR E C 14299 O O . TYR E 40 ? 0.0817 0.0825 0.0839 -0.0047 -0.0014 -0.0005 40 TYR E O 14300 C CB . TYR E 40 ? 0.0596 0.0595 0.0632 -0.0039 -0.0015 0.0008 40 TYR E CB 14301 C CG . TYR E 40 ? 0.0604 0.0597 0.0636 -0.0037 -0.0014 0.0006 40 TYR E CG 14302 C CD1 . TYR E 40 ? 0.0801 0.0779 0.0829 -0.0035 -0.0011 -0.0001 40 TYR E CD1 14303 C CD2 . TYR E 40 ? 0.0566 0.0567 0.0598 -0.0037 -0.0015 0.0010 40 TYR E CD2 14304 C CE1 . TYR E 40 ? 0.0617 0.0589 0.0641 -0.0033 -0.0010 -0.0003 40 TYR E CE1 14305 C CE2 . TYR E 40 ? 0.0657 0.0653 0.0685 -0.0035 -0.0014 0.0008 40 TYR E CE2 14306 C CZ . TYR E 40 ? 0.0636 0.0618 0.0660 -0.0033 -0.0011 0.0002 40 TYR E CZ 14307 O OH . TYR E 40 ? 0.0901 0.0878 0.0922 -0.0032 -0.0010 0.0000 40 TYR E OH 14317 N N . SER E 41 ? 0.0745 0.0728 0.0764 -0.0044 -0.0010 -0.0012 41 SER E N 14318 C CA . SER E 41 ? 0.0704 0.0685 0.0714 -0.0047 -0.0009 -0.0020 41 SER E CA 14319 C C . SER E 41 ? 0.0846 0.0812 0.0851 -0.0045 -0.0007 -0.0025 41 SER E C 14320 O O . SER E 41 ? 0.1098 0.1054 0.1106 -0.0041 -0.0005 -0.0025 41 SER E O 14321 C CB . SER E 41 ? 0.0813 0.0794 0.0824 -0.0051 -0.0009 -0.0023 41 SER E CB 14322 O OG . SER E 41 ? 0.0845 0.0822 0.0848 -0.0055 -0.0008 -0.0031 41 SER E OG 14328 N N . ASP E 42 ? 0.0692 0.0658 0.0689 -0.0046 -0.0006 -0.0031 42 ASP E N 14329 C CA . ASP E 42 ? 0.0883 0.0835 0.0875 -0.0044 -0.0003 -0.0037 42 ASP E CA 14330 C C . ASP E 42 ? 0.1011 0.0955 0.0997 -0.0047 -0.0002 -0.0045 42 ASP E C 14331 O O . ASP E 42 ? 0.1181 0.1114 0.1161 -0.0045 0.0000 -0.0050 42 ASP E O 14332 C CB . ASP E 42 ? 0.0965 0.0919 0.0953 -0.0041 -0.0003 -0.0037 42 ASP E CB 14333 C CG . ASP E 42 ? 0.1008 0.0974 0.0992 -0.0043 -0.0003 -0.0039 42 ASP E CG 14334 O OD1 . ASP E 42 ? 0.1260 0.1229 0.1240 -0.0048 -0.0004 -0.0044 42 ASP E OD1 14335 O OD2 . ASP E 42 ? 0.1113 0.1084 0.1095 -0.0041 -0.0003 -0.0038 42 ASP E OD2 14340 N N . LEU E 43 ? 0.0850 0.0797 0.0837 -0.0051 -0.0003 -0.0044 43 LEU E N 14341 C CA . LEU E 43 ? 0.0811 0.0750 0.0795 -0.0054 -0.0001 -0.0051 43 LEU E CA 14342 C C . LEU E 43 ? 0.0815 0.0739 0.0800 -0.0052 0.0001 -0.0051 43 LEU E C 14343 O O . LEU E 43 ? 0.1122 0.1046 0.1113 -0.0049 0.0001 -0.0046 43 LEU E O 14344 C CB . LEU E 43 ? 0.0828 0.0776 0.0815 -0.0060 -0.0003 -0.0050 43 LEU E CB 14345 C CG . LEU E 43 ? 0.0939 0.0903 0.0924 -0.0064 -0.0006 -0.0051 43 LEU E CG 14346 C CD1 . LEU E 43 ? 0.1059 0.1033 0.1049 -0.0069 -0.0008 -0.0048 43 LEU E CD1 14347 C CD2 . LEU E 43 ? 0.1144 0.1102 0.1119 -0.0067 -0.0005 -0.0060 43 LEU E CD2 14359 N N . SER E 44 ? 0.1334 0.1246 0.1313 -0.0052 0.0003 -0.0057 44 SER E N 14360 C CA . SER E 44 ? 0.1214 0.1112 0.1193 -0.0051 0.0005 -0.0057 44 SER E CA 14361 C C . SER E 44 ? 0.1167 0.1063 0.1147 -0.0056 0.0005 -0.0059 44 SER E C 14362 O O . SER E 44 ? 0.1604 0.1493 0.1586 -0.0056 0.0007 -0.0057 44 SER E O 14363 C CB . SER E 44 ? 0.1953 0.1837 0.1926 -0.0047 0.0007 -0.0061 44 SER E CB 14364 O OG . SER E 44 ? 0.2690 0.2576 0.2664 -0.0042 0.0007 -0.0059 44 SER E OG 14370 N N . ARG E 45 ? 0.1132 0.1034 0.1110 -0.0062 0.0004 -0.0063 45 ARG E N 14371 C CA . ARG E 45 ? 0.0960 0.0861 0.0939 -0.0068 0.0004 -0.0064 45 ARG E CA 14372 C C . ARG E 45 ? 0.1101 0.1014 0.1087 -0.0069 0.0003 -0.0058 45 ARG E C 14373 O O . ARG E 45 ? 0.1260 0.1182 0.1252 -0.0066 0.0001 -0.0053 45 ARG E O 14374 C CB . ARG E 45 ? 0.1132 0.1037 0.1106 -0.0074 0.0002 -0.0070 45 ARG E CB 14375 C CG . ARG E 45 ? 0.1169 0.1091 0.1144 -0.0075 -0.0001 -0.0069 45 ARG E CG 14376 C CD . ARG E 45 ? 0.1134 0.1062 0.1105 -0.0083 -0.0003 -0.0075 45 ARG E CD 14377 N NE . ARG E 45 ? 0.1091 0.1035 0.1061 -0.0084 -0.0005 -0.0074 45 ARG E NE 14378 C CZ . ARG E 45 ? 0.0788 0.0749 0.0765 -0.0085 -0.0008 -0.0068 45 ARG E CZ 14379 N NH1 . ARG E 45 ? 0.0973 0.0936 0.0958 -0.0085 -0.0008 -0.0062 45 ARG E NH1 14380 N NH2 . ARG E 45 ? 0.0992 0.0968 0.0967 -0.0086 -0.0010 -0.0067 45 ARG E NH2 14394 N N . ALA E 46 ? 0.1230 0.1143 0.1219 -0.0074 0.0003 -0.0058 46 ALA E N 14395 C CA . ALA E 46 ? 0.1191 0.1117 0.1189 -0.0076 0.0002 -0.0052 46 ALA E CA 14396 C C . ALA E 46 ? 0.1003 0.0946 0.1003 -0.0078 -0.0002 -0.0050 46 ALA E C 14397 O O . ALA E 46 ? 0.1198 0.1144 0.1193 -0.0082 -0.0003 -0.0055 46 ALA E O 14398 C CB . ALA E 46 ? 0.1559 0.1482 0.1559 -0.0081 0.0003 -0.0053 46 ALA E CB 14404 N N . TYR E 47 ? 0.0901 0.0857 0.0910 -0.0076 -0.0003 -0.0044 47 TYR E N 14405 C CA . TYR E 47 ? 0.1008 0.0981 0.1020 -0.0079 -0.0006 -0.0041 47 TYR E CA 14406 C C . TYR E 47 ? 0.0822 0.0807 0.0845 -0.0078 -0.0007 -0.0034 47 TYR E C 14407 O O . TYR E 47 ? 0.1001 0.0981 0.1028 -0.0073 -0.0005 -0.0030 47 TYR E O 14408 C CB . TYR E 47 ? 0.1017 0.0995 0.1027 -0.0075 -0.0008 -0.0040 47 TYR E CB 14409 C CG . TYR E 47 ? 0.0880 0.0852 0.0892 -0.0068 -0.0006 -0.0036 47 TYR E CG 14410 C CD1 . TYR E 47 ? 0.1065 0.1023 0.1071 -0.0064 -0.0004 -0.0039 47 TYR E CD1 14411 C CD2 . TYR E 47 ? 0.0845 0.0825 0.0865 -0.0064 -0.0007 -0.0028 47 TYR E CD2 14412 C CE1 . TYR E 47 ? 0.0946 0.0898 0.0953 -0.0058 -0.0003 -0.0036 47 TYR E CE1 14413 C CE2 . TYR E 47 ? 0.0986 0.0961 0.1008 -0.0058 -0.0006 -0.0025 47 TYR E CE2 14414 C CZ . TYR E 47 ? 0.0814 0.0774 0.0829 -0.0055 -0.0004 -0.0029 47 TYR E CZ 14415 O OH . TYR E 47 ? 0.1233 0.1189 0.1251 -0.0049 -0.0004 -0.0025 47 TYR E OH 14425 N N . SER E 48 ? 0.0810 0.0811 0.0836 -0.0082 -0.0010 -0.0032 48 SER E N 14426 C CA . SER E 48 ? 0.0671 0.0687 0.0708 -0.0081 -0.0011 -0.0024 48 SER E CA 14427 C C . SER E 48 ? 0.0775 0.0798 0.0815 -0.0075 -0.0013 -0.0018 48 SER E C 14428 O O . SER E 48 ? 0.1029 0.1058 0.1065 -0.0076 -0.0015 -0.0019 48 SER E O 14429 C CB . SER E 48 ? 0.1044 0.1075 0.1083 -0.0088 -0.0014 -0.0025 48 SER E CB 14430 O OG . SER E 48 ? 0.1166 0.1211 0.1215 -0.0087 -0.0016 -0.0018 48 SER E OG 14436 N N . LEU E 49 ? 0.0667 0.0691 0.0716 -0.0070 -0.0012 -0.0012 49 LEU E N 14437 C CA . LEU E 49 ? 0.0825 0.0857 0.0879 -0.0065 -0.0014 -0.0006 49 LEU E CA 14438 C C . LEU E 49 ? 0.0590 0.0641 0.0653 -0.0066 -0.0017 0.0001 49 LEU E C 14439 O O . LEU E 49 ? 0.0906 0.0967 0.0970 -0.0065 -0.0020 0.0006 49 LEU E O 14440 C CB . LEU E 49 ? 0.0921 0.0941 0.0979 -0.0057 -0.0011 -0.0003 49 LEU E CB 14441 C CG . LEU E 49 ? 0.1151 0.1153 0.1200 -0.0055 -0.0009 -0.0008 49 LEU E CG 14442 C CD1 . LEU E 49 ? 0.1773 0.1763 0.1824 -0.0049 -0.0006 -0.0008 49 LEU E CD1 14443 C CD2 . LEU E 49 ? 0.1417 0.1423 0.1464 -0.0053 -0.0011 -0.0006 49 LEU E CD2 14455 N N . PHE E 50 ? 0.0641 0.0697 0.0710 -0.0068 -0.0016 0.0002 50 PHE E N 14456 C CA . PHE E 50 ? 0.0790 0.0865 0.0868 -0.0068 -0.0019 0.0008 50 PHE E CA 14457 C C . PHE E 50 ? 0.0694 0.0776 0.0774 -0.0075 -0.0018 0.0006 50 PHE E C 14458 O O . PHE E 50 ? 0.0733 0.0806 0.0815 -0.0074 -0.0015 0.0004 50 PHE E O 14459 C CB . PHE E 50 ? 0.0824 0.0899 0.0912 -0.0060 -0.0018 0.0015 50 PHE E CB 14460 C CG . PHE E 50 ? 0.0769 0.0863 0.0868 -0.0059 -0.0020 0.0023 50 PHE E CG 14461 C CD1 . PHE E 50 ? 0.0916 0.1020 0.1019 -0.0056 -0.0023 0.0029 50 PHE E CD1 14462 C CD2 . PHE E 50 ? 0.0854 0.0956 0.0961 -0.0060 -0.0019 0.0024 50 PHE E CD2 14463 C CE1 . PHE E 50 ? 0.0880 0.1001 0.0994 -0.0055 -0.0026 0.0037 50 PHE E CE1 14464 C CE2 . PHE E 50 ? 0.0968 0.1088 0.1086 -0.0058 -0.0021 0.0031 50 PHE E CE2 14465 C CZ . PHE E 50 ? 0.0882 0.1010 0.1003 -0.0055 -0.0024 0.0038 50 PHE E CZ 14475 N N . SER E 51 ? 0.0607 0.0704 0.0687 -0.0081 -0.0022 0.0006 51 SER E N 14476 C CA . SER E 51 ? 0.0645 0.0748 0.0726 -0.0089 -0.0022 0.0002 51 SER E CA 14477 C C . SER E 51 ? 0.0724 0.0850 0.0817 -0.0090 -0.0025 0.0009 51 SER E C 14478 O O . SER E 51 ? 0.0808 0.0948 0.0901 -0.0092 -0.0030 0.0012 51 SER E O 14479 C CB . SER E 51 ? 0.0723 0.0824 0.0794 -0.0097 -0.0024 -0.0005 51 SER E CB 14480 O OG . SER E 51 ? 0.0855 0.0964 0.0927 -0.0105 -0.0026 -0.0008 51 SER E OG 14486 N N . TYR E 52 ? 0.0655 0.0786 0.0757 -0.0090 -0.0023 0.0012 52 TYR E N 14487 C CA . TYR E 52 ? 0.0894 0.1046 0.1007 -0.0090 -0.0026 0.0019 52 TYR E CA 14488 C C . TYR E 52 ? 0.0748 0.0906 0.0864 -0.0098 -0.0025 0.0015 52 TYR E C 14489 O O . TYR E 52 ? 0.0862 0.1009 0.0978 -0.0097 -0.0021 0.0013 52 TYR E O 14490 C CB . TYR E 52 ? 0.1138 0.1289 0.1261 -0.0080 -0.0023 0.0025 52 TYR E CB 14491 C CG . TYR E 52 ? 0.0946 0.1116 0.1082 -0.0077 -0.0024 0.0033 52 TYR E CG 14492 C CD1 . TYR E 52 ? 0.0963 0.1139 0.1107 -0.0068 -0.0025 0.0041 52 TYR E CD1 14493 C CD2 . TYR E 52 ? 0.0917 0.1097 0.1060 -0.0081 -0.0023 0.0033 52 TYR E CD2 14494 C CE1 . TYR E 52 ? 0.0877 0.1069 0.1034 -0.0064 -0.0025 0.0048 52 TYR E CE1 14495 C CE2 . TYR E 52 ? 0.0954 0.1150 0.1110 -0.0077 -0.0023 0.0040 52 TYR E CE2 14496 C CZ . TYR E 52 ? 0.1034 0.1237 0.1198 -0.0069 -0.0024 0.0047 52 TYR E CZ 14497 O OH . TYR E 52 ? 0.1378 0.1598 0.1556 -0.0064 -0.0024 0.0055 52 TYR E OH 14507 N N . ASN E 53 ? 0.0941 0.1113 0.1056 -0.0106 -0.0030 0.0015 53 ASN E N 14508 C CA . ASN E 53 ? 0.1007 0.1187 0.1124 -0.0115 -0.0030 0.0012 53 ASN E CA 14509 C C . ASN E 53 ? 0.1099 0.1306 0.1229 -0.0117 -0.0034 0.0019 53 ASN E C 14510 O O . ASN E 53 ? 0.1140 0.1360 0.1272 -0.0113 -0.0037 0.0024 53 ASN E O 14511 C CB . ASN E 53 ? 0.1049 0.1223 0.1155 -0.0125 -0.0032 0.0003 53 ASN E CB 14512 C CG . ASN E 53 ? 0.1097 0.1247 0.1193 -0.0126 -0.0028 -0.0005 53 ASN E CG 14513 O OD1 . ASN E 53 ? 0.0973 0.1108 0.1069 -0.0119 -0.0024 -0.0004 53 ASN E OD1 14514 N ND2 . ASN E 53 ? 0.0969 0.1114 0.1057 -0.0135 -0.0030 -0.0012 53 ASN E ND2 14521 N N . THR E 54 ? 0.0907 0.1123 0.1044 -0.0122 -0.0033 0.0019 54 THR E N 14522 C CA . THR E 54 ? 0.1193 0.1436 0.1341 -0.0124 -0.0037 0.0026 54 THR E CA 14523 C C . THR E 54 ? 0.1212 0.1462 0.1359 -0.0138 -0.0039 0.0020 54 THR E C 14524 O O . THR E 54 ? 0.1445 0.1679 0.1583 -0.0144 -0.0037 0.0013 54 THR E O 14525 C CB . THR E 54 ? 0.1187 0.1438 0.1350 -0.0116 -0.0033 0.0034 54 THR E CB 14526 O OG1 . THR E 54 ? 0.1480 0.1722 0.1644 -0.0119 -0.0028 0.0030 54 THR E OG1 14527 C CG2 . THR E 54 ? 0.1152 0.1393 0.1316 -0.0104 -0.0031 0.0038 54 THR E CG2 14535 N N . GLN E 55 ? 0.1571 0.1846 0.1726 -0.0142 -0.0044 0.0025 55 GLN E N 14536 C CA . GLN E 55 ? 0.1862 0.2145 0.2015 -0.0156 -0.0047 0.0019 55 GLN E CA 14537 C C . GLN E 55 ? 0.1710 0.1983 0.1865 -0.0161 -0.0043 0.0016 55 GLN E C 14538 O O . GLN E 55 ? 0.1840 0.2120 0.2006 -0.0156 -0.0039 0.0022 55 GLN E O 14539 C CB . GLN E 55 ? 0.2144 0.2457 0.2308 -0.0160 -0.0052 0.0025 55 GLN E CB 14540 C CG . GLN E 55 ? 0.2565 0.2888 0.2727 -0.0174 -0.0057 0.0019 55 GLN E CG 14541 C CD . GLN E 55 ? 0.3138 0.3448 0.3284 -0.0181 -0.0060 0.0010 55 GLN E CD 14542 O OE1 . GLN E 55 ? 0.3549 0.3865 0.3690 -0.0178 -0.0063 0.0010 55 GLN E OE1 14543 N NE2 . GLN E 55 ? 0.4347 0.4642 0.4485 -0.0190 -0.0058 0.0001 55 GLN E NE2 14552 N N . GLY E 56 ? 0.1662 0.1919 0.1807 -0.0169 -0.0042 0.0007 56 GLY E N 14553 C CA . GLY E 56 ? 0.1870 0.2115 0.2016 -0.0174 -0.0038 0.0004 56 GLY E CA 14554 C C . GLY E 56 ? 0.1832 0.2055 0.1974 -0.0166 -0.0031 0.0004 56 GLY E C 14555 O O . GLY E 56 ? 0.1891 0.2103 0.2033 -0.0170 -0.0028 0.0002 56 GLY E O 14559 N N . ARG E 57 ? 0.1548 0.1762 0.1687 -0.0155 -0.0030 0.0006 57 ARG E N 14560 C CA . ARG E 57 ? 0.1350 0.1544 0.1486 -0.0146 -0.0024 0.0006 57 ARG E CA 14561 C C . ARG E 57 ? 0.0989 0.1163 0.1112 -0.0141 -0.0023 0.0001 57 ARG E C 14562 O O . ARG E 57 ? 0.1411 0.1589 0.1534 -0.0134 -0.0025 0.0004 57 ARG E O 14563 C CB . ARG E 57 ? 0.1412 0.1617 0.1560 -0.0136 -0.0021 0.0015 57 ARG E CB 14564 C CG . ARG E 57 ? 0.1389 0.1616 0.1550 -0.0140 -0.0021 0.0020 57 ARG E CG 14565 C CD . ARG E 57 ? 0.1416 0.1651 0.1588 -0.0129 -0.0018 0.0027 57 ARG E CD 14566 N NE . ARG E 57 ? 0.1398 0.1615 0.1568 -0.0123 -0.0011 0.0026 57 ARG E NE 14567 C CZ . ARG E 57 ? 0.1465 0.1681 0.1638 -0.0127 -0.0007 0.0026 57 ARG E CZ 14568 N NH1 . ARG E 57 ? 0.2076 0.2308 0.2255 -0.0137 -0.0009 0.0027 57 ARG E NH1 14569 N NH2 . ARG E 57 ? 0.1593 0.1793 0.1763 -0.0121 -0.0001 0.0025 57 ARG E NH2 14583 N N . ASP E 58 ? 0.1132 0.1285 0.1245 -0.0144 -0.0021 -0.0006 58 ASP E N 14584 C CA . ASP E 58 ? 0.1190 0.1322 0.1292 -0.0140 -0.0020 -0.0010 58 ASP E CA 14585 C C . ASP E 58 ? 0.1087 0.1208 0.1191 -0.0129 -0.0015 -0.0007 58 ASP E C 14586 O O . ASP E 58 ? 0.1158 0.1278 0.1267 -0.0127 -0.0011 -0.0004 58 ASP E O 14587 C CB . ASP E 58 ? 0.1052 0.1165 0.1143 -0.0147 -0.0019 -0.0019 58 ASP E CB 14588 C CG . ASP E 58 ? 0.1074 0.1169 0.1153 -0.0143 -0.0019 -0.0025 58 ASP E CG 14589 O OD1 . ASP E 58 ? 0.1081 0.1182 0.1158 -0.0139 -0.0021 -0.0023 58 ASP E OD1 14590 O OD2 . ASP E 58 ? 0.1496 0.1571 0.1567 -0.0144 -0.0016 -0.0030 58 ASP E OD2 14595 N N . ASN E 59 ? 0.0892 0.1003 0.0990 -0.0121 -0.0015 -0.0008 59 ASN E N 14596 C CA . ASN E 59 ? 0.0945 0.1043 0.1042 -0.0111 -0.0010 -0.0006 59 ASN E CA 14597 C C . ASN E 59 ? 0.0876 0.0986 0.0985 -0.0105 -0.0008 0.0002 59 ASN E C 14598 O O . ASN E 59 ? 0.0898 0.0999 0.1008 -0.0101 -0.0004 0.0003 59 ASN E O 14599 C CB . ASN E 59 ? 0.1025 0.1101 0.1114 -0.0113 -0.0006 -0.0011 59 ASN E CB 14600 C CG . ASN E 59 ? 0.0982 0.1045 0.1059 -0.0118 -0.0008 -0.0018 59 ASN E CG 14601 O OD1 . ASN E 59 ? 0.1031 0.1099 0.1104 -0.0119 -0.0012 -0.0020 59 ASN E OD1 14602 N ND2 . ASN E 59 ? 0.1277 0.1323 0.1348 -0.0121 -0.0005 -0.0023 59 ASN E ND2 14609 N N . GLU E 60 ? 0.0828 0.0958 0.0945 -0.0105 -0.0012 0.0007 60 GLU E N 14610 C CA . GLU E 60 ? 0.0731 0.0875 0.0861 -0.0098 -0.0011 0.0014 60 GLU E CA 14611 C C . GLU E 60 ? 0.0939 0.1072 0.1069 -0.0087 -0.0008 0.0017 60 GLU E C 14612 O O . GLU E 60 ? 0.0855 0.0987 0.0991 -0.0081 -0.0004 0.0019 60 GLU E O 14613 C CB . GLU E 60 ? 0.0916 0.1084 0.1055 -0.0101 -0.0015 0.0019 60 GLU E CB 14614 C CG . GLU E 60 ? 0.1036 0.1220 0.1188 -0.0095 -0.0014 0.0027 60 GLU E CG 14615 C CD . GLU E 60 ? 0.0882 0.1071 0.1041 -0.0097 -0.0010 0.0028 60 GLU E CD 14616 O OE1 . GLU E 60 ? 0.1110 0.1293 0.1264 -0.0106 -0.0009 0.0023 60 GLU E OE1 14617 O OE2 . GLU E 60 ? 0.1155 0.1354 0.1325 -0.0090 -0.0008 0.0033 60 GLU E OE2 14624 N N . LEU E 61 ? 0.0817 0.0942 0.0940 -0.0084 -0.0010 0.0016 61 LEU E N 14625 C CA . LEU E 61 ? 0.0629 0.0741 0.0750 -0.0074 -0.0008 0.0017 61 LEU E CA 14626 C C . LEU E 61 ? 0.0824 0.0922 0.0933 -0.0076 -0.0010 0.0011 61 LEU E C 14627 O O . LEU E 61 ? 0.1016 0.1123 0.1123 -0.0079 -0.0014 0.0012 61 LEU E O 14628 C CB . LEU E 61 ? 0.0946 0.1071 0.1077 -0.0067 -0.0010 0.0024 61 LEU E CB 14629 C CG . LEU E 61 ? 0.0923 0.1037 0.1056 -0.0056 -0.0008 0.0026 61 LEU E CG 14630 C CD1 . LEU E 61 ? 0.1039 0.1169 0.1184 -0.0051 -0.0010 0.0035 61 LEU E CD1 14631 C CD2 . LEU E 61 ? 0.1277 0.1374 0.1399 -0.0056 -0.0008 0.0023 61 LEU E CD2 14643 N N . LEU E 62 ? 0.0712 0.0791 0.0813 -0.0075 -0.0006 0.0006 62 LEU E N 14644 C CA . LEU E 62 ? 0.0675 0.0741 0.0765 -0.0077 -0.0007 0.0001 62 LEU E CA 14645 C C . LEU E 62 ? 0.0616 0.0664 0.0701 -0.0069 -0.0004 0.0000 62 LEU E C 14646 O O . LEU E 62 ? 0.0723 0.0762 0.0808 -0.0067 0.0000 -0.0001 62 LEU E O 14647 C CB . LEU E 62 ? 0.0859 0.0919 0.0941 -0.0086 -0.0007 -0.0005 62 LEU E CB 14648 C CG . LEU E 62 ? 0.0873 0.0916 0.0943 -0.0087 -0.0007 -0.0012 62 LEU E CG 14649 C CD1 . LEU E 62 ? 0.0901 0.0951 0.0967 -0.0088 -0.0011 -0.0012 62 LEU E CD1 14650 C CD2 . LEU E 62 ? 0.0894 0.0930 0.0958 -0.0096 -0.0006 -0.0018 62 LEU E CD2 14662 N N . VAL E 63 ? 0.0654 0.0698 0.0736 -0.0066 -0.0006 0.0000 63 VAL E N 14663 C CA . VAL E 63 ? 0.0724 0.0751 0.0800 -0.0060 -0.0004 -0.0002 63 VAL E CA 14664 C C . VAL E 63 ? 0.0627 0.0643 0.0692 -0.0064 -0.0004 -0.0008 63 VAL E C 14665 O O . VAL E 63 ? 0.0826 0.0848 0.0888 -0.0067 -0.0007 -0.0009 63 VAL E O 14666 C CB . VAL E 63 ? 0.0751 0.0781 0.0832 -0.0053 -0.0005 0.0004 63 VAL E CB 14667 C CG1 . VAL E 63 ? 0.1005 0.1017 0.1081 -0.0048 -0.0003 0.0001 63 VAL E CG1 14668 C CG2 . VAL E 63 ? 0.1270 0.1311 0.1363 -0.0049 -0.0005 0.0010 63 VAL E CG2 14678 N N . TYR E 64 ? 0.0756 0.0756 0.0814 -0.0064 -0.0001 -0.0012 64 TYR E N 14679 C CA . TYR E 64 ? 0.0797 0.0787 0.0845 -0.0068 -0.0001 -0.0019 64 TYR E CA 14680 C C . TYR E 64 ? 0.0860 0.0832 0.0902 -0.0063 0.0002 -0.0021 64 TYR E C 14681 O O . TYR E 64 ? 0.1066 0.1033 0.1111 -0.0059 0.0004 -0.0020 64 TYR E O 14682 C CB . TYR E 64 ? 0.0782 0.0771 0.0829 -0.0075 0.0000 -0.0022 64 TYR E CB 14683 C CG . TYR E 64 ? 0.0805 0.0786 0.0843 -0.0081 0.0000 -0.0029 64 TYR E CG 14684 C CD1 . TYR E 64 ? 0.1023 0.1014 0.1060 -0.0086 -0.0004 -0.0031 64 TYR E CD1 14685 C CD2 . TYR E 64 ? 0.1253 0.1217 0.1285 -0.0081 0.0003 -0.0033 64 TYR E CD2 14686 C CE1 . TYR E 64 ? 0.1019 0.1001 0.1047 -0.0092 -0.0004 -0.0038 64 TYR E CE1 14687 C CE2 . TYR E 64 ? 0.1312 0.1268 0.1336 -0.0086 0.0002 -0.0039 64 TYR E CE2 14688 C CZ . TYR E 64 ? 0.1142 0.1108 0.1164 -0.0091 -0.0001 -0.0042 64 TYR E CZ 14689 O OH . TYR E 64 ? 0.1469 0.1426 0.1483 -0.0096 -0.0002 -0.0049 64 TYR E OH 14699 N N . LYS E 65 ? 0.0887 0.0853 0.0922 -0.0063 0.0001 -0.0025 65 LYS E N 14700 C CA . LYS E 65 ? 0.0854 0.0805 0.0884 -0.0059 0.0003 -0.0027 65 LYS E CA 14701 C C . LYS E 65 ? 0.1106 0.1045 0.1127 -0.0063 0.0004 -0.0033 65 LYS E C 14702 O O . LYS E 65 ? 0.1219 0.1157 0.1235 -0.0066 0.0003 -0.0037 65 LYS E O 14703 C CB . LYS E 65 ? 0.1159 0.1111 0.1186 -0.0056 0.0001 -0.0026 65 LYS E CB 14704 C CG . LYS E 65 ? 0.1343 0.1281 0.1366 -0.0050 0.0002 -0.0028 65 LYS E CG 14705 C CD . LYS E 65 ? 0.2166 0.2104 0.2195 -0.0045 0.0003 -0.0023 65 LYS E CD 14706 C CE . LYS E 65 ? 0.1892 0.1817 0.1917 -0.0040 0.0004 -0.0025 65 LYS E CE 14707 N NZ . LYS E 65 ? 0.2021 0.1946 0.2042 -0.0039 0.0003 -0.0026 65 LYS E NZ 14721 N N A GLU E 66 ? 0.1572 0.1501 0.1592 -0.0063 0.0007 -0.0035 66 GLU E N 14722 N N B GLU E 66 ? 0.1576 0.1505 0.1597 -0.0061 0.0007 -0.0034 66 GLU E N 14723 C CA A GLU E 66 ? 0.1592 0.1509 0.1604 -0.0067 0.0008 -0.0040 66 GLU E CA 14724 C CA B GLU E 66 ? 0.1695 0.1611 0.1709 -0.0065 0.0009 -0.0038 66 GLU E CA 14725 C C A GLU E 66 ? 0.1273 0.1177 0.1278 -0.0063 0.0009 -0.0043 66 GLU E C 14726 C C B GLU E 66 ? 0.1330 0.1234 0.1336 -0.0062 0.0010 -0.0042 66 GLU E C 14727 O O A GLU E 66 ? 0.1326 0.1223 0.1325 -0.0065 0.0009 -0.0048 66 GLU E O 14728 O O B GLU E 66 ? 0.1650 0.1547 0.1650 -0.0066 0.0010 -0.0047 66 GLU E O 14729 C CB A GLU E 66 ? 0.1131 0.1042 0.1144 -0.0069 0.0011 -0.0040 66 GLU E CB 14730 C CB B GLU E 66 ? 0.0853 0.0763 0.0869 -0.0062 0.0013 -0.0036 66 GLU E CB 14731 C CG A GLU E 66 ? 0.1777 0.1673 0.1782 -0.0073 0.0013 -0.0045 66 GLU E CG 14732 C CG B GLU E 66 ? 0.1321 0.1243 0.1346 -0.0064 0.0013 -0.0032 66 GLU E CG 14733 C CD A GLU E 66 ? 0.1226 0.1125 0.1229 -0.0080 0.0011 -0.0049 66 GLU E CD 14734 C CD B GLU E 66 ? 0.1663 0.1593 0.1690 -0.0073 0.0012 -0.0033 66 GLU E CD 14735 O OE1 A GLU E 66 ? 0.3438 0.3325 0.3434 -0.0081 0.0011 -0.0054 66 GLU E OE1 14736 O OE1 B GLU E 66 ? 0.1579 0.1502 0.1600 -0.0077 0.0011 -0.0038 66 GLU E OE1 14737 O OE2 A GLU E 66 ? 0.2342 0.2254 0.2350 -0.0085 0.0009 -0.0048 66 GLU E OE2 14738 O OE2 B GLU E 66 ? 0.1324 0.1267 0.1359 -0.0075 0.0012 -0.0029 66 GLU E OE2 14751 N N . ARG E 67 ? 0.1328 0.1229 0.1334 -0.0056 0.0010 -0.0041 67 ARG E N 14752 C CA . ARG E 67 ? 0.1179 0.1069 0.1179 -0.0052 0.0010 -0.0043 67 ARG E CA 14753 C C . ARG E 67 ? 0.1292 0.1183 0.1295 -0.0046 0.0010 -0.0039 67 ARG E C 14754 O O . ARG E 67 ? 0.1266 0.1165 0.1276 -0.0044 0.0010 -0.0035 67 ARG E O 14755 C CB . ARG E 67 ? 0.1469 0.1345 0.1464 -0.0052 0.0013 -0.0046 67 ARG E CB 14756 C CG . ARG E 67 ? 0.1787 0.1659 0.1784 -0.0050 0.0015 -0.0042 67 ARG E CG 14757 C CD . ARG E 67 ? 0.2009 0.1868 0.2001 -0.0050 0.0018 -0.0044 67 ARG E CD 14758 N NE . ARG E 67 ? 0.2339 0.2195 0.2329 -0.0057 0.0018 -0.0047 67 ARG E NE 14759 C CZ . ARG E 67 ? 0.2815 0.2676 0.2809 -0.0062 0.0019 -0.0046 67 ARG E CZ 14760 N NH1 . ARG E 67 ? 0.3580 0.3437 0.3571 -0.0068 0.0018 -0.0049 67 ARG E NH1 14761 N NH2 . ARG E 67 ? 0.2966 0.2835 0.2966 -0.0061 0.0020 -0.0042 67 ARG E NH2 14776 N N . VAL E 68 ? 0.1230 0.1115 0.1229 -0.0042 0.0010 -0.0041 68 VAL E N 14777 C CA . VAL E 68 ? 0.1129 0.1015 0.1132 -0.0036 0.0009 -0.0037 68 VAL E CA 14778 C C . VAL E 68 ? 0.1203 0.1085 0.1208 -0.0034 0.0011 -0.0035 68 VAL E C 14779 O O . VAL E 68 ? 0.1567 0.1441 0.1569 -0.0034 0.0013 -0.0037 68 VAL E O 14780 C CB . VAL E 68 ? 0.1581 0.1459 0.1578 -0.0033 0.0009 -0.0040 68 VAL E CB 14781 C CG1 . VAL E 68 ? 0.2000 0.1865 0.1991 -0.0032 0.0012 -0.0043 68 VAL E CG1 14782 C CG2 . VAL E 68 ? 0.2048 0.1927 0.2049 -0.0028 0.0008 -0.0036 68 VAL E CG2 14792 N N . GLY E 69 ? 0.1098 0.0987 0.1110 -0.0031 0.0010 -0.0031 69 GLY E N 14793 C CA . GLY E 69 ? 0.1266 0.1151 0.1281 -0.0027 0.0012 -0.0030 69 GLY E CA 14794 C C . GLY E 69 ? 0.1243 0.1134 0.1262 -0.0030 0.0013 -0.0028 69 GLY E C 14795 O O . GLY E 69 ? 0.1425 0.1313 0.1446 -0.0027 0.0015 -0.0028 69 GLY E O 14799 N N . GLU E 70 ? 0.0987 0.0885 0.1007 -0.0035 0.0013 -0.0029 70 GLU E N 14800 C CA . GLU E 70 ? 0.1083 0.0987 0.1107 -0.0038 0.0014 -0.0027 70 GLU E CA 14801 C C . GLU E 70 ? 0.1010 0.0928 0.1040 -0.0041 0.0012 -0.0025 70 GLU E C 14802 O O . GLU E 70 ? 0.1359 0.1281 0.1387 -0.0046 0.0010 -0.0026 70 GLU E O 14803 C CB . GLU E 70 ? 0.1360 0.1257 0.1378 -0.0043 0.0016 -0.0031 70 GLU E CB 14804 C CG . GLU E 70 ? 0.1977 0.1860 0.1989 -0.0039 0.0018 -0.0032 70 GLU E CG 14805 C CD . GLU E 70 ? 0.2685 0.2560 0.2692 -0.0044 0.0021 -0.0034 70 GLU E CD 14806 O OE1 . GLU E 70 ? 0.2431 0.2312 0.2440 -0.0049 0.0020 -0.0034 70 GLU E OE1 14807 O OE2 . GLU E 70 ? 0.3617 0.3481 0.3618 -0.0041 0.0022 -0.0035 70 GLU E OE2 14814 N N . TYR E 71 ? 0.0905 0.0832 0.0943 -0.0039 0.0013 -0.0021 71 TYR E N 14815 C CA . TYR E 71 ? 0.0827 0.0769 0.0873 -0.0041 0.0010 -0.0017 71 TYR E CA 14816 C C . TYR E 71 ? 0.0842 0.0791 0.0893 -0.0044 0.0012 -0.0016 71 TYR E C 14817 O O . TYR E 71 ? 0.0973 0.0919 0.1025 -0.0041 0.0015 -0.0016 71 TYR E O 14818 C CB . TYR E 71 ? 0.1091 0.1038 0.1144 -0.0035 0.0009 -0.0013 71 TYR E CB 14819 C CG . TYR E 71 ? 0.1143 0.1086 0.1193 -0.0033 0.0007 -0.0013 71 TYR E CG 14820 C CD1 . TYR E 71 ? 0.1109 0.1039 0.1154 -0.0029 0.0008 -0.0016 71 TYR E CD1 14821 C CD2 . TYR E 71 ? 0.1374 0.1325 0.1424 -0.0036 0.0004 -0.0012 71 TYR E CD2 14822 C CE1 . TYR E 71 ? 0.0958 0.0884 0.1000 -0.0028 0.0006 -0.0016 71 TYR E CE1 14823 C CE2 . TYR E 71 ? 0.1503 0.1452 0.1551 -0.0034 0.0002 -0.0011 71 TYR E CE2 14824 C CZ . TYR E 71 ? 0.1150 0.1086 0.1194 -0.0030 0.0003 -0.0013 71 TYR E CZ 14825 O OH . TYR E 71 ? 0.1451 0.1386 0.1493 -0.0029 0.0001 -0.0013 71 TYR E OH 14835 N N . SER E 72 ? 0.0731 0.0691 0.0784 -0.0050 0.0010 -0.0016 72 SER E N 14836 C CA . SER E 72 ? 0.0686 0.0655 0.0744 -0.0054 0.0012 -0.0014 72 SER E CA 14837 C C . SER E 72 ? 0.0670 0.0657 0.0738 -0.0054 0.0009 -0.0009 72 SER E C 14838 O O . SER E 72 ? 0.0768 0.0762 0.0836 -0.0055 0.0006 -0.0009 72 SER E O 14839 C CB . SER E 72 ? 0.1191 0.1158 0.1245 -0.0062 0.0012 -0.0018 72 SER E CB 14840 O OG . SER E 72 ? 0.1342 0.1292 0.1387 -0.0062 0.0014 -0.0021 72 SER E OG 14846 N N . LEU E 73 ? 0.0741 0.0737 0.0816 -0.0053 0.0011 -0.0006 73 LEU E N 14847 C CA . LEU E 73 ? 0.0789 0.0804 0.0875 -0.0054 0.0010 -0.0002 73 LEU E CA 14848 C C . LEU E 73 ? 0.0628 0.0651 0.0717 -0.0061 0.0011 -0.0002 73 LEU E C 14849 O O . LEU E 73 ? 0.0852 0.0869 0.0939 -0.0061 0.0015 -0.0003 73 LEU E O 14850 C CB . LEU E 73 ? 0.0720 0.0740 0.0815 -0.0046 0.0011 0.0003 73 LEU E CB 14851 C CG . LEU E 73 ? 0.0840 0.0879 0.0946 -0.0046 0.0009 0.0008 73 LEU E CG 14852 C CD1 . LEU E 73 ? 0.1062 0.1110 0.1170 -0.0047 0.0005 0.0011 73 LEU E CD1 14853 C CD2 . LEU E 73 ? 0.1019 0.1061 0.1133 -0.0037 0.0012 0.0011 73 LEU E CD2 14865 N N . TYR E 74 ? 0.0630 0.0666 0.0721 -0.0067 0.0007 -0.0001 74 TYR E N 14866 C CA . TYR E 74 ? 0.0722 0.0769 0.0818 -0.0074 0.0008 0.0000 74 TYR E CA 14867 C C . TYR E 74 ? 0.0760 0.0828 0.0869 -0.0072 0.0007 0.0006 74 TYR E C 14868 O O . TYR E 74 ? 0.0869 0.0945 0.0981 -0.0070 0.0003 0.0009 74 TYR E O 14869 C CB . TYR E 74 ? 0.0798 0.0846 0.0889 -0.0084 0.0005 -0.0004 74 TYR E CB 14870 C CG . TYR E 74 ? 0.1045 0.1074 0.1124 -0.0087 0.0006 -0.0010 74 TYR E CG 14871 C CD1 . TYR E 74 ? 0.1111 0.1126 0.1182 -0.0083 0.0005 -0.0013 74 TYR E CD1 14872 C CD2 . TYR E 74 ? 0.1208 0.1233 0.1284 -0.0095 0.0007 -0.0013 74 TYR E CD2 14873 C CE1 . TYR E 74 ? 0.1219 0.1218 0.1280 -0.0085 0.0006 -0.0019 74 TYR E CE1 14874 C CE2 . TYR E 74 ? 0.1589 0.1597 0.1656 -0.0098 0.0008 -0.0019 74 TYR E CE2 14875 C CZ . TYR E 74 ? 0.1648 0.1642 0.1706 -0.0093 0.0008 -0.0022 74 TYR E CZ 14876 O OH . TYR E 74 ? 0.2432 0.2409 0.2481 -0.0094 0.0009 -0.0027 74 TYR E OH 14886 N N . ILE E 75 ? 0.0811 0.0886 0.0926 -0.0072 0.0009 0.0008 75 ILE E N 14887 C CA . ILE E 75 ? 0.0866 0.0963 0.0994 -0.0071 0.0009 0.0014 75 ILE E CA 14888 C C . ILE E 75 ? 0.0918 0.1026 0.1050 -0.0081 0.0009 0.0014 75 ILE E C 14889 O O . ILE E 75 ? 0.0872 0.0974 0.1003 -0.0082 0.0013 0.0013 75 ILE E O 14890 C CB . ILE E 75 ? 0.0752 0.0850 0.0887 -0.0061 0.0013 0.0018 75 ILE E CB 14891 C CG1 . ILE E 75 ? 0.0878 0.0965 0.1011 -0.0052 0.0012 0.0018 75 ILE E CG1 14892 C CG2 . ILE E 75 ? 0.0968 0.1089 0.1117 -0.0060 0.0012 0.0024 75 ILE E CG2 14893 C CD1 . ILE E 75 ? 0.1103 0.1200 0.1240 -0.0050 0.0007 0.0022 75 ILE E CD1 14905 N N . GLY E 76 ? 0.0859 0.0982 0.0995 -0.0087 0.0004 0.0016 76 GLY E N 14906 C CA . GLY E 76 ? 0.0908 0.1042 0.1048 -0.0097 0.0004 0.0016 76 GLY E CA 14907 C C . GLY E 76 ? 0.0985 0.1102 0.1115 -0.0104 0.0006 0.0010 76 GLY E C 14908 O O . GLY E 76 ? 0.1085 0.1203 0.1217 -0.0109 0.0009 0.0010 76 GLY E O 14912 N N . ARG E 77 ? 0.1187 0.1287 0.1305 -0.0105 0.0004 0.0004 77 ARG E N 14913 C CA . ARG E 77 ? 0.1038 0.1120 0.1146 -0.0111 0.0006 -0.0002 77 ARG E CA 14914 C C . ARG E 77 ? 0.1067 0.1132 0.1170 -0.0106 0.0011 -0.0002 77 ARG E C 14915 O O . ARG E 77 ? 0.1579 0.1626 0.1672 -0.0108 0.0012 -0.0007 77 ARG E O 14916 C CB . ARG E 77 ? 0.1684 0.1773 0.1794 -0.0123 0.0005 -0.0003 77 ARG E CB 14917 C CG . ARG E 77 ? 0.2211 0.2319 0.2327 -0.0131 0.0000 -0.0002 77 ARG E CG 14918 C CD . ARG E 77 ? 0.2819 0.2933 0.2939 -0.0142 0.0000 -0.0003 77 ARG E CD 14919 N NE . ARG E 77 ? 0.2664 0.2778 0.2789 -0.0141 0.0005 0.0001 77 ARG E NE 14920 C CZ . ARG E 77 ? 0.3312 0.3445 0.3449 -0.0140 0.0007 0.0007 77 ARG E CZ 14921 N NH1 . ARG E 77 ? 0.4098 0.4230 0.4238 -0.0139 0.0012 0.0010 77 ARG E NH1 14922 N NH2 . ARG E 77 ? 0.2305 0.2460 0.2451 -0.0139 0.0003 0.0011 77 ARG E NH2 14936 N N . HIS E 78 ? 0.0958 0.1027 0.1067 -0.0098 0.0015 0.0002 78 HIS E N 14937 C CA . HIS E 78 ? 0.1014 0.1068 0.1118 -0.0092 0.0020 0.0001 78 HIS E CA 14938 C C . HIS E 78 ? 0.0989 0.1030 0.1087 -0.0084 0.0019 -0.0001 78 HIS E C 14939 O O . HIS E 78 ? 0.1069 0.1117 0.1169 -0.0081 0.0016 0.0000 78 HIS E O 14940 C CB . HIS E 78 ? 0.0959 0.1023 0.1072 -0.0087 0.0024 0.0006 78 HIS E CB 14941 C CG . HIS E 78 ? 0.1306 0.1385 0.1427 -0.0094 0.0025 0.0009 78 HIS E CG 14942 N ND1 . HIS E 78 ? 0.1842 0.1929 0.1969 -0.0090 0.0030 0.0012 78 HIS E ND1 14943 C CD2 . HIS E 78 ? 0.1415 0.1503 0.1539 -0.0104 0.0023 0.0009 78 HIS E CD2 14944 C CE1 . HIS E 78 ? 0.1802 0.1903 0.1936 -0.0098 0.0030 0.0015 78 HIS E CE1 14945 N NE2 . HIS E 78 ? 0.1742 0.1843 0.1874 -0.0107 0.0026 0.0013 78 HIS E NE2 14953 N N . LYS E 79 ? 0.0957 0.0979 0.1045 -0.0082 0.0022 -0.0004 79 LYS E N 14954 C CA . LYS E 79 ? 0.1216 0.1227 0.1299 -0.0075 0.0021 -0.0006 79 LYS E CA 14955 C C . LYS E 79 ? 0.1308 0.1307 0.1387 -0.0067 0.0025 -0.0006 79 LYS E C 14956 O O . LYS E 79 ? 0.1228 0.1224 0.1306 -0.0068 0.0028 -0.0006 79 LYS E O 14957 C CB . LYS E 79 ? 0.2424 0.2422 0.2497 -0.0080 0.0018 -0.0011 79 LYS E CB 14958 C CG . LYS E 79 ? 0.2171 0.2151 0.2235 -0.0081 0.0021 -0.0015 79 LYS E CG 14959 C CD . LYS E 79 ? 0.3949 0.3918 0.4004 -0.0083 0.0018 -0.0020 79 LYS E CD 14960 C CE . LYS E 79 ? 0.5675 0.5624 0.5720 -0.0084 0.0020 -0.0023 79 LYS E CE 14961 N NZ . LYS E 79 ? 0.5177 0.5118 0.5216 -0.0085 0.0018 -0.0028 79 LYS E NZ 14975 N N . VAL E 80 ? 0.0917 0.0911 0.0995 -0.0060 0.0024 -0.0007 80 VAL E N 14976 C CA . VAL E 80 ? 0.0778 0.0759 0.0850 -0.0052 0.0026 -0.0008 80 VAL E CA 14977 C C . VAL E 80 ? 0.0796 0.0765 0.0862 -0.0051 0.0023 -0.0011 80 VAL E C 14978 O O . VAL E 80 ? 0.0892 0.0866 0.0958 -0.0053 0.0020 -0.0011 80 VAL E O 14979 C CB . VAL E 80 ? 0.0903 0.0891 0.0983 -0.0044 0.0028 -0.0005 80 VAL E CB 14980 C CG1 . VAL E 80 ? 0.1256 0.1256 0.1343 -0.0045 0.0032 -0.0002 80 VAL E CG1 14981 C CG2 . VAL E 80 ? 0.0983 0.0979 0.1069 -0.0041 0.0024 -0.0003 80 VAL E CG2 14991 N N . THR E 81 ? 0.0815 0.0769 0.0873 -0.0047 0.0025 -0.0013 81 THR E N 14992 C CA . THR E 81 ? 0.0897 0.0839 0.0948 -0.0045 0.0023 -0.0016 81 THR E CA 14993 C C . THR E 81 ? 0.0927 0.0861 0.0976 -0.0037 0.0025 -0.0017 81 THR E C 14994 O O . THR E 81 ? 0.1137 0.1067 0.1184 -0.0035 0.0029 -0.0017 81 THR E O 14995 C CB . THR E 81 ? 0.1110 0.1041 0.1152 -0.0050 0.0024 -0.0020 81 THR E CB 14996 O OG1 . THR E 81 ? 0.1254 0.1192 0.1298 -0.0058 0.0022 -0.0020 81 THR E OG1 14997 C CG2 . THR E 81 ? 0.1354 0.1274 0.1389 -0.0048 0.0022 -0.0023 81 THR E CG2 15005 N N . SER E 82 ? 0.1011 0.0942 0.1060 -0.0033 0.0023 -0.0017 82 SER E N 15006 C CA . SER E 82 ? 0.0830 0.0752 0.0876 -0.0026 0.0024 -0.0018 82 SER E CA 15007 C C . SER E 82 ? 0.0993 0.0904 0.1032 -0.0025 0.0021 -0.0020 82 SER E C 15008 O O . SER E 82 ? 0.1096 0.1011 0.1135 -0.0029 0.0018 -0.0020 82 SER E O 15009 C CB . SER E 82 ? 0.1417 0.1345 0.1471 -0.0020 0.0024 -0.0015 82 SER E CB 15010 O OG . SER E 82 ? 0.1694 0.1627 0.1751 -0.0019 0.0027 -0.0014 82 SER E OG 15016 N N A LYS E 83 ? 0.0909 0.0809 0.0943 -0.0021 0.0022 -0.0022 83 LYS E N 15017 N N B LYS E 83 ? 0.0920 0.0820 0.0954 -0.0021 0.0022 -0.0022 83 LYS E N 15018 C CA A LYS E 83 ? 0.0876 0.0767 0.0904 -0.0021 0.0020 -0.0025 83 LYS E CA 15019 C CA B LYS E 83 ? 0.0943 0.0834 0.0971 -0.0021 0.0021 -0.0025 83 LYS E CA 15020 C C A LYS E 83 ? 0.0922 0.0810 0.0951 -0.0015 0.0019 -0.0024 83 LYS E C 15021 C C B LYS E 83 ? 0.0940 0.0829 0.0970 -0.0015 0.0019 -0.0024 83 LYS E C 15022 O O A LYS E 83 ? 0.0908 0.0797 0.0941 -0.0011 0.0020 -0.0024 83 LYS E O 15023 O O B LYS E 83 ? 0.0958 0.0848 0.0993 -0.0011 0.0019 -0.0023 83 LYS E O 15024 C CB A LYS E 83 ? 0.0951 0.0831 0.0970 -0.0021 0.0023 -0.0027 83 LYS E CB 15025 C CB B LYS E 83 ? 0.1049 0.0928 0.1068 -0.0020 0.0023 -0.0027 83 LYS E CB 15026 C CG A LYS E 83 ? 0.1126 0.1006 0.1143 -0.0027 0.0024 -0.0028 83 LYS E CG 15027 C CG B LYS E 83 ? 0.1453 0.1332 0.1469 -0.0025 0.0025 -0.0028 83 LYS E CG 15028 C CD A LYS E 83 ? 0.1276 0.1144 0.1285 -0.0027 0.0026 -0.0030 83 LYS E CD 15029 C CD B LYS E 83 ? 0.1776 0.1643 0.1784 -0.0024 0.0028 -0.0029 83 LYS E CD 15030 C CE A LYS E 83 ? 0.1793 0.1661 0.1800 -0.0034 0.0028 -0.0030 83 LYS E CE 15031 C CE B LYS E 83 ? 0.2023 0.1888 0.2028 -0.0029 0.0031 -0.0029 83 LYS E CE 15032 N NZ A LYS E 83 ? 0.2385 0.2240 0.2384 -0.0034 0.0029 -0.0031 83 LYS E NZ 15033 N NZ B LYS E 83 ? 0.1887 0.1743 0.1886 -0.0028 0.0033 -0.0029 83 LYS E NZ 15060 N N . VAL E 84 ? 0.0947 0.0831 0.0974 -0.0016 0.0016 -0.0025 84 VAL E N 15061 C CA . VAL E 84 ? 0.0979 0.0861 0.1008 -0.0011 0.0014 -0.0024 84 VAL E CA 15062 C C . VAL E 84 ? 0.0983 0.0857 0.1005 -0.0012 0.0013 -0.0027 84 VAL E C 15063 O O . VAL E 84 ? 0.1162 0.1036 0.1180 -0.0015 0.0013 -0.0028 84 VAL E O 15064 C CB . VAL E 84 ? 0.1025 0.0917 0.1062 -0.0012 0.0012 -0.0021 84 VAL E CB 15065 C CG1 . VAL E 84 ? 0.1443 0.1340 0.1478 -0.0016 0.0010 -0.0020 84 VAL E CG1 15066 C CG2 . VAL E 84 ? 0.1340 0.1229 0.1380 -0.0007 0.0010 -0.0019 84 VAL E CG2 15077 N N . ILE E 85 ? 0.1135 0.1003 0.1157 -0.0008 0.0012 -0.0027 85 ILE E N 15078 C CA . ILE E 85 ? 0.1269 0.1133 0.1287 -0.0008 0.0010 -0.0028 85 ILE E CA 15079 C C . ILE E 85 ? 0.1097 0.0968 0.1120 -0.0009 0.0007 -0.0025 85 ILE E C 15080 O O . ILE E 85 ? 0.1391 0.1267 0.1421 -0.0008 0.0006 -0.0022 85 ILE E O 15081 C CB . ILE E 85 ? 0.1486 0.1343 0.1503 -0.0004 0.0010 -0.0030 85 ILE E CB 15082 C CG1 . ILE E 85 ? 0.2130 0.1980 0.2141 -0.0002 0.0012 -0.0032 85 ILE E CG1 15083 C CG2 . ILE E 85 ? 0.1616 0.1469 0.1630 -0.0004 0.0008 -0.0030 85 ILE E CG2 15084 C CD1 . ILE E 85 ? 0.1899 0.1743 0.1909 0.0002 0.0012 -0.0034 85 ILE E CD1 15096 N N A GLU E 86 ? 0.1444 0.1317 0.1463 -0.0012 0.0007 -0.0026 86 GLU E N 15097 N N B GLU E 86 ? 0.1353 0.1226 0.1372 -0.0012 0.0007 -0.0026 86 GLU E N 15098 C CA A GLU E 86 ? 0.1382 0.1262 0.1404 -0.0014 0.0004 -0.0024 86 GLU E CA 15099 C CA B GLU E 86 ? 0.1426 0.1306 0.1448 -0.0014 0.0004 -0.0024 86 GLU E CA 15100 C C A GLU E 86 ? 0.1317 0.1195 0.1333 -0.0015 0.0004 -0.0026 86 GLU E C 15101 C C B GLU E 86 ? 0.1250 0.1127 0.1266 -0.0014 0.0004 -0.0026 86 GLU E C 15102 O O A GLU E 86 ? 0.1638 0.1511 0.1648 -0.0016 0.0005 -0.0029 86 GLU E O 15103 O O B GLU E 86 ? 0.1368 0.1238 0.1377 -0.0014 0.0005 -0.0029 86 GLU E O 15104 C CB A GLU E 86 ? 0.2054 0.1945 0.2080 -0.0017 0.0004 -0.0021 86 GLU E CB 15105 C CB B GLU E 86 ? 0.1968 0.1859 0.1993 -0.0017 0.0004 -0.0022 86 GLU E CB 15106 C CG A GLU E 86 ? 0.2095 0.1987 0.2116 -0.0021 0.0005 -0.0024 86 GLU E CG 15107 C CG B GLU E 86 ? 0.1652 0.1551 0.1686 -0.0016 0.0002 -0.0017 86 GLU E CG 15108 C CD A GLU E 86 ? 0.2305 0.2208 0.2330 -0.0025 0.0004 -0.0022 86 GLU E CD 15109 C CD B GLU E 86 ? 0.1382 0.1292 0.1418 -0.0020 0.0002 -0.0015 86 GLU E CD 15110 O OE1 A GLU E 86 ? 0.1384 0.1295 0.1416 -0.0024 0.0003 -0.0018 86 GLU E OE1 15111 O OE1 B GLU E 86 ? 0.1264 0.1176 0.1299 -0.0023 0.0003 -0.0017 86 GLU E OE1 15112 O OE2 A GLU E 86 ? 0.1308 0.1213 0.1329 -0.0029 0.0005 -0.0025 86 GLU E OE2 15113 O OE2 B GLU E 86 ? 0.1271 0.1190 0.1310 -0.0021 -0.0001 -0.0012 86 GLU E OE2 15126 N N . LYS E 87 ? 0.1609 0.1492 0.1628 -0.0015 0.0002 -0.0023 87 LYS E N 15127 C CA . LYS E 87 ? 0.1640 0.1524 0.1654 -0.0015 0.0001 -0.0025 87 LYS E CA 15128 C C . LYS E 87 ? 0.1623 0.1515 0.1636 -0.0019 0.0001 -0.0026 87 LYS E C 15129 O O . LYS E 87 ? 0.1773 0.1672 0.1789 -0.0021 0.0001 -0.0023 87 LYS E O 15130 C CB . LYS E 87 ? 0.2074 0.1962 0.2093 -0.0014 -0.0001 -0.0021 87 LYS E CB 15131 C CG . LYS E 87 ? 0.3053 0.2933 0.3074 -0.0011 -0.0002 -0.0021 87 LYS E CG 15132 C CD . LYS E 87 ? 0.3755 0.3639 0.3780 -0.0011 -0.0004 -0.0017 87 LYS E CD 15133 C CE . LYS E 87 ? 0.5837 0.5714 0.5865 -0.0008 -0.0005 -0.0017 87 LYS E CE 15134 N NZ . LYS E 87 ? 0.6930 0.6804 0.6963 -0.0007 -0.0006 -0.0016 87 LYS E NZ 15149 N N . PHE E 88 ? 0.1604 0.1496 0.1611 -0.0020 0.0002 -0.0029 88 PHE E N 15150 C CA . PHE E 88 ? 0.1228 0.1126 0.1232 -0.0023 0.0002 -0.0031 88 PHE E CA 15151 C C . PHE E 88 ? 0.1146 0.1047 0.1146 -0.0023 0.0002 -0.0032 88 PHE E C 15152 O O . PHE E 88 ? 0.1482 0.1376 0.1479 -0.0020 0.0003 -0.0034 88 PHE E O 15153 C CB . PHE E 88 ? 0.1483 0.1374 0.1481 -0.0025 0.0004 -0.0036 88 PHE E CB 15154 C CG . PHE E 88 ? 0.1279 0.1175 0.1273 -0.0029 0.0004 -0.0039 88 PHE E CG 15155 C CD1 . PHE E 88 ? 0.1484 0.1390 0.1480 -0.0033 0.0003 -0.0037 88 PHE E CD1 15156 C CD2 . PHE E 88 ? 0.1573 0.1465 0.1561 -0.0028 0.0005 -0.0043 88 PHE E CD2 15157 C CE1 . PHE E 88 ? 0.1843 0.1755 0.1835 -0.0037 0.0002 -0.0041 88 PHE E CE1 15158 C CE2 . PHE E 88 ? 0.1824 0.1721 0.1808 -0.0032 0.0005 -0.0047 88 PHE E CE2 15159 C CZ . PHE E 88 ? 0.1639 0.1545 0.1624 -0.0036 0.0004 -0.0046 88 PHE E CZ 15169 N N . PRO E 89 ? 0.0982 0.0895 0.0983 -0.0025 0.0000 -0.0030 89 PRO E N 15170 C CA . PRO E 89 ? 0.1133 0.1056 0.1139 -0.0028 -0.0002 -0.0026 89 PRO E CA 15171 C C . PRO E 89 ? 0.1119 0.1045 0.1133 -0.0026 -0.0003 -0.0019 89 PRO E C 15172 O O . PRO E 89 ? 0.1386 0.1310 0.1401 -0.0024 -0.0004 -0.0018 89 PRO E O 15173 C CB . PRO E 89 ? 0.1427 0.1363 0.1431 -0.0031 -0.0002 -0.0026 89 PRO E CB 15174 C CG . PRO E 89 ? 0.1595 0.1525 0.1591 -0.0029 -0.0001 -0.0031 89 PRO E CG 15175 C CD . PRO E 89 ? 0.1117 0.1036 0.1114 -0.0025 0.0000 -0.0032 89 PRO E CD 15183 N N . ALA E 90 ? 0.1010 0.0941 0.1029 -0.0027 -0.0004 -0.0015 90 ALA E N 15184 C CA . ALA E 90 ? 0.1126 0.1060 0.1154 -0.0025 -0.0006 -0.0009 90 ALA E CA 15185 C C . ALA E 90 ? 0.0925 0.0870 0.0959 -0.0027 -0.0008 -0.0005 90 ALA E C 15186 O O . ALA E 90 ? 0.1100 0.1045 0.1133 -0.0029 -0.0007 -0.0007 90 ALA E O 15187 C CB . ALA E 90 ? 0.1491 0.1413 0.1521 -0.0022 -0.0005 -0.0010 90 ALA E CB 15193 N N . PRO E 91 ? 0.0729 0.0681 0.0768 -0.0026 -0.0010 0.0002 91 PRO E N 15194 C CA . PRO E 91 ? 0.0664 0.0624 0.0710 -0.0027 -0.0011 0.0007 91 PRO E CA 15195 C C . PRO E 91 ? 0.0828 0.0780 0.0879 -0.0024 -0.0010 0.0006 91 PRO E C 15196 O O . PRO E 91 ? 0.1126 0.1066 0.1177 -0.0021 -0.0009 0.0004 91 PRO E O 15197 C CB . PRO E 91 ? 0.0987 0.0952 0.1040 -0.0026 -0.0014 0.0015 91 PRO E CB 15198 C CG . PRO E 91 ? 0.1028 0.0993 0.1076 -0.0026 -0.0014 0.0014 91 PRO E CG 15199 C CD . PRO E 91 ? 0.0929 0.0882 0.0971 -0.0025 -0.0011 0.0006 91 PRO E CD 15207 N N . VAL E 92 ? 0.0794 0.0753 0.0849 -0.0025 -0.0011 0.0008 92 VAL E N 15208 C CA . VAL E 92 ? 0.0816 0.0770 0.0876 -0.0022 -0.0009 0.0008 92 VAL E CA 15209 C C . VAL E 92 ? 0.0795 0.0759 0.0863 -0.0021 -0.0011 0.0014 92 VAL E C 15210 O O . VAL E 92 ? 0.0979 0.0956 0.1048 -0.0024 -0.0013 0.0018 92 VAL E O 15211 C CB . VAL E 92 ? 0.1056 0.1006 0.1110 -0.0024 -0.0007 0.0001 92 VAL E CB 15212 C CG1 . VAL E 92 ? 0.1093 0.1054 0.1146 -0.0029 -0.0007 0.0001 92 VAL E CG1 15213 C CG2 . VAL E 92 ? 0.1279 0.1221 0.1336 -0.0021 -0.0004 0.0000 92 VAL E CG2 15223 N N . HIS E 93 ? 0.0789 0.0748 0.0864 -0.0017 -0.0010 0.0016 93 HIS E N 15224 C CA . HIS E 93 ? 0.0587 0.0554 0.0671 -0.0015 -0.0011 0.0021 93 HIS E CA 15225 C C . HIS E 93 ? 0.0693 0.0658 0.0777 -0.0015 -0.0008 0.0017 93 HIS E C 15226 O O . HIS E 93 ? 0.0861 0.0815 0.0943 -0.0012 -0.0006 0.0013 93 HIS E O 15227 C CB . HIS E 93 ? 0.0729 0.0692 0.0821 -0.0010 -0.0012 0.0026 93 HIS E CB 15228 C CG . HIS E 93 ? 0.0725 0.0698 0.0827 -0.0008 -0.0013 0.0032 93 HIS E CG 15229 N ND1 . HIS E 93 ? 0.0911 0.0880 0.1018 -0.0004 -0.0011 0.0031 93 HIS E ND1 15230 C CD2 . HIS E 93 ? 0.0874 0.0860 0.0982 -0.0009 -0.0016 0.0039 93 HIS E CD2 15231 C CE1 . HIS E 93 ? 0.0845 0.0825 0.0961 -0.0002 -0.0013 0.0037 93 HIS E CE1 15232 N NE2 . HIS E 93 ? 0.0941 0.0932 0.1058 -0.0005 -0.0016 0.0042 93 HIS E NE2 15240 N N . ILE E 94 ? 0.0625 0.0602 0.0711 -0.0017 -0.0009 0.0018 94 ILE E N 15241 C CA . ILE E 94 ? 0.0828 0.0806 0.0915 -0.0018 -0.0006 0.0015 94 ILE E CA 15242 C C . ILE E 94 ? 0.0955 0.0943 0.1052 -0.0015 -0.0006 0.0020 94 ILE E C 15243 O O . ILE E 94 ? 0.1157 0.1158 0.1259 -0.0016 -0.0009 0.0026 94 ILE E O 15244 C CB . ILE E 94 ? 0.0911 0.0895 0.0991 -0.0024 -0.0006 0.0012 94 ILE E CB 15245 C CG1 . ILE E 94 ? 0.1313 0.1286 0.1383 -0.0027 -0.0005 0.0006 94 ILE E CG1 15246 C CG2 . ILE E 94 ? 0.1523 0.1509 0.1604 -0.0026 -0.0003 0.0009 94 ILE E CG2 15247 C CD1 . ILE E 94 ? 0.1799 0.1778 0.1862 -0.0033 -0.0006 0.0002 94 ILE E CD1 15259 N N . CYS E 95 ? 0.0857 0.0841 0.0958 -0.0011 -0.0004 0.0019 95 CYS E N 15260 C CA . CYS E 95 ? 0.0811 0.0806 0.0922 -0.0008 -0.0003 0.0023 95 CYS E CA 15261 C C . CYS E 95 ? 0.0867 0.0862 0.0976 -0.0009 0.0000 0.0019 95 CYS E C 15262 O O . CYS E 95 ? 0.1021 0.1003 0.1123 -0.0009 0.0003 0.0014 95 CYS E O 15263 C CB . CYS E 95 ? 0.1247 0.1236 0.1366 0.0000 -0.0003 0.0026 95 CYS E CB 15264 S SG . CYS E 95 ? 0.2229 0.2221 0.2355 0.0003 -0.0007 0.0034 95 CYS E SG 15269 N N . VAL E 96 ? 0.0634 0.0643 0.0748 -0.0012 0.0000 0.0021 96 VAL E N 15270 C CA . VAL E 96 ? 0.0711 0.0722 0.0826 -0.0012 0.0004 0.0019 96 VAL E CA 15271 C C . VAL E 96 ? 0.0933 0.0959 0.1060 -0.0009 0.0004 0.0024 96 VAL E C 15272 O O . VAL E 96 ? 0.0911 0.0951 0.1044 -0.0011 0.0001 0.0029 96 VAL E O 15273 C CB . VAL E 96 ? 0.0891 0.0905 0.0998 -0.0021 0.0004 0.0015 96 VAL E CB 15274 C CG1 . VAL E 96 ? 0.1472 0.1501 0.1581 -0.0026 0.0000 0.0018 96 VAL E CG1 15275 C CG2 . VAL E 96 ? 0.1133 0.1147 0.1240 -0.0022 0.0008 0.0012 96 VAL E CG2 15285 N N . SER E 97 ? 0.0825 0.0850 0.0956 -0.0005 0.0008 0.0022 97 SER E N 15286 C CA . SER E 97 ? 0.0651 0.0690 0.0792 -0.0002 0.0008 0.0027 97 SER E CA 15287 C C . SER E 97 ? 0.0721 0.0765 0.0862 -0.0005 0.0012 0.0024 97 SER E C 15288 O O . SER E 97 ? 0.0848 0.0880 0.0980 -0.0007 0.0015 0.0019 97 SER E O 15289 C CB . SER E 97 ? 0.1131 0.1165 0.1280 0.0008 0.0010 0.0029 97 SER E CB 15290 O OG . SER E 97 ? 0.1113 0.1135 0.1257 0.0012 0.0014 0.0023 97 SER E OG 15296 N N . TRP E 98 ? 0.0877 0.0938 0.1027 -0.0005 0.0012 0.0028 98 TRP E N 15297 C CA . TRP E 98 ? 0.0775 0.0844 0.0927 -0.0007 0.0016 0.0027 98 TRP E CA 15298 C C . TRP E 98 ? 0.0789 0.0873 0.0954 -0.0001 0.0018 0.0032 98 TRP E C 15299 O O . TRP E 98 ? 0.0944 0.1040 0.1118 0.0001 0.0014 0.0037 98 TRP E O 15300 C CB . TRP E 98 ? 0.0680 0.0756 0.0828 -0.0018 0.0015 0.0026 98 TRP E CB 15301 C CG . TRP E 98 ? 0.0720 0.0804 0.0870 -0.0022 0.0018 0.0025 98 TRP E CG 15302 C CD1 . TRP E 98 ? 0.0874 0.0949 0.1018 -0.0023 0.0022 0.0021 98 TRP E CD1 15303 C CD2 . TRP E 98 ? 0.0769 0.0875 0.0930 -0.0024 0.0017 0.0030 98 TRP E CD2 15304 N NE1 . TRP E 98 ? 0.1212 0.1301 0.1361 -0.0027 0.0024 0.0023 98 TRP E NE1 15305 C CE2 . TRP E 98 ? 0.0806 0.0914 0.0966 -0.0028 0.0022 0.0028 98 TRP E CE2 15306 C CE3 . TRP E 98 ? 0.0975 0.1098 0.1145 -0.0024 0.0014 0.0035 98 TRP E CE3 15307 C CZ2 . TRP E 98 ? 0.1242 0.1369 0.1411 -0.0032 0.0022 0.0031 98 TRP E CZ2 15308 C CZ3 . TRP E 98 ? 0.1063 0.1207 0.1243 -0.0028 0.0014 0.0039 98 TRP E CZ3 15309 C CH2 . TRP E 98 ? 0.1190 0.1335 0.1369 -0.0031 0.0018 0.0037 98 TRP E CH2 15320 N N . GLU E 99 ? 0.1007 0.1092 0.1175 0.0002 0.0023 0.0030 99 GLU E N 15321 C CA . GLU E 99 ? 0.1140 0.1238 0.1319 0.0009 0.0025 0.0034 99 GLU E CA 15322 C C . GLU E 99 ? 0.0788 0.0899 0.0969 0.0004 0.0028 0.0034 99 GLU E C 15323 O O . GLU E 99 ? 0.1132 0.1235 0.1307 0.0002 0.0032 0.0029 99 GLU E O 15324 C CB . GLU E 99 ? 0.1209 0.1293 0.1387 0.0019 0.0029 0.0030 99 GLU E CB 15325 C CG . GLU E 99 ? 0.2029 0.2124 0.2219 0.0028 0.0032 0.0033 99 GLU E CG 15326 C CD . GLU E 99 ? 0.2248 0.2328 0.2435 0.0037 0.0035 0.0029 99 GLU E CD 15327 O OE1 . GLU E 99 ? 0.1626 0.1696 0.1804 0.0036 0.0039 0.0023 99 GLU E OE1 15328 O OE2 . GLU E 99 ? 0.3205 0.3282 0.3399 0.0045 0.0034 0.0031 99 GLU E OE2 15335 N N . SER E 100 ? 0.0950 0.1082 0.1142 0.0001 0.0027 0.0039 100 SER E N 15336 C CA . SER E 100 ? 0.0962 0.1108 0.1157 -0.0005 0.0030 0.0039 100 SER E CA 15337 C C . SER E 100 ? 0.0903 0.1049 0.1101 0.0002 0.0036 0.0038 100 SER E C 15338 O O . SER E 100 ? 0.1075 0.1222 0.1269 -0.0003 0.0040 0.0036 100 SER E O 15339 C CB . SER E 100 ? 0.1182 0.1351 0.1389 -0.0007 0.0027 0.0046 100 SER E CB 15340 O OG . SER E 100 ? 0.1325 0.1509 0.1537 -0.0013 0.0030 0.0046 100 SER E OG 15346 N N . SER E 101 ? 0.0992 0.1138 0.1196 0.0013 0.0038 0.0039 101 SER E N 15347 C CA . SER E 101 ? 0.0962 0.1113 0.1170 0.0020 0.0044 0.0038 101 SER E CA 15348 C C . SER E 101 ? 0.1029 0.1163 0.1225 0.0019 0.0049 0.0031 101 SER E C 15349 O O . SER E 101 ? 0.1226 0.1367 0.1422 0.0019 0.0054 0.0031 101 SER E O 15350 C CB . SER E 101 ? 0.1678 0.1829 0.1895 0.0033 0.0045 0.0039 101 SER E CB 15351 O OG . SER E 101 ? 0.2166 0.2297 0.2376 0.0037 0.0043 0.0036 101 SER E OG 15357 N N . SER E 102 ? 0.1015 0.1128 0.1199 0.0018 0.0047 0.0027 102 SER E N 15358 C CA . SER E 102 ? 0.1008 0.1105 0.1180 0.0017 0.0050 0.0022 102 SER E CA 15359 C C . SER E 102 ? 0.0932 0.1022 0.1094 0.0006 0.0048 0.0020 102 SER E C 15360 O O . SER E 102 ? 0.1168 0.1249 0.1321 0.0003 0.0051 0.0016 102 SER E O 15361 C CB . SER E 102 ? 0.1123 0.1201 0.1289 0.0024 0.0049 0.0018 102 SER E CB 15362 O OG . SER E 102 ? 0.1172 0.1243 0.1336 0.0021 0.0043 0.0018 102 SER E OG 15368 N N . GLY E 103 ? 0.0865 0.0961 0.1029 -0.0001 0.0042 0.0023 103 GLY E N 15369 C CA . GLY E 103 ? 0.0831 0.0918 0.0985 -0.0011 0.0040 0.0020 103 GLY E CA 15370 C C . GLY E 103 ? 0.0727 0.0793 0.0871 -0.0009 0.0037 0.0016 103 GLY E C 15371 O O . GLY E 103 ? 0.0806 0.0863 0.0940 -0.0016 0.0035 0.0014 103 GLY E O 15375 N N . ILE E 104 ? 0.0872 0.0930 0.1016 0.0000 0.0038 0.0015 104 ILE E N 15376 C CA . ILE E 104 ? 0.0923 0.0961 0.1057 0.0002 0.0036 0.0011 104 ILE E CA 15377 C C . ILE E 104 ? 0.0765 0.0801 0.0898 -0.0002 0.0031 0.0012 104 ILE E C 15378 O O . ILE E 104 ? 0.0943 0.0987 0.1084 0.0001 0.0028 0.0017 104 ILE E O 15379 C CB . ILE E 104 ? 0.1124 0.1154 0.1259 0.0012 0.0038 0.0009 104 ILE E CB 15380 C CG1 . ILE E 104 ? 0.1262 0.1291 0.1394 0.0016 0.0044 0.0006 104 ILE E CG1 15381 C CG2 . ILE E 104 ? 0.1175 0.1186 0.1301 0.0014 0.0036 0.0006 104 ILE E CG2 15382 C CD1 . ILE E 104 ? 0.1284 0.1303 0.1405 0.0011 0.0046 0.0003 104 ILE E CD1 15394 N N . ALA E 105 ? 0.0870 0.0892 0.0992 -0.0007 0.0029 0.0009 105 ALA E N 15395 C CA . ALA E 105 ? 0.0931 0.0949 0.1050 -0.0010 0.0024 0.0009 105 ALA E CA 15396 C C . ALA E 105 ? 0.0858 0.0858 0.0970 -0.0005 0.0024 0.0006 105 ALA E C 15397 O O . ALA E 105 ? 0.1041 0.1029 0.1144 -0.0004 0.0027 0.0002 105 ALA E O 15398 C CB . ALA E 105 ? 0.1058 0.1075 0.1169 -0.0020 0.0023 0.0007 105 ALA E CB 15404 N N . GLU E 106 ? 0.0921 0.0919 0.1035 -0.0002 0.0021 0.0008 106 GLU E N 15405 C CA . GLU E 106 ? 0.1011 0.0994 0.1120 0.0003 0.0020 0.0006 106 GLU E CA 15406 C C . GLU E 106 ? 0.1072 0.1052 0.1177 -0.0002 0.0016 0.0006 106 GLU E C 15407 O O . GLU E 106 ? 0.1184 0.1173 0.1295 -0.0002 0.0012 0.0011 106 GLU E O 15408 C CB . GLU E 106 ? 0.1321 0.1304 0.1440 0.0011 0.0019 0.0008 106 GLU E CB 15409 C CG . GLU E 106 ? 0.1399 0.1385 0.1522 0.0017 0.0024 0.0007 106 GLU E CG 15410 C CD . GLU E 106 ? 0.1907 0.1888 0.2037 0.0026 0.0023 0.0009 106 GLU E CD 15411 O OE1 . GLU E 106 ? 0.1834 0.1810 0.1966 0.0027 0.0019 0.0011 106 GLU E OE1 15412 O OE2 . GLU E 106 ? 0.2063 0.2046 0.2198 0.0032 0.0026 0.0008 106 GLU E OE2 15419 N N . PHE E 107 ? 0.0843 0.0811 0.0938 -0.0005 0.0016 0.0002 107 PHE E N 15420 C CA . PHE E 107 ? 0.0755 0.0719 0.0846 -0.0007 0.0012 0.0002 107 PHE E CA 15421 C C . PHE E 107 ? 0.0836 0.0788 0.0926 -0.0002 0.0011 0.0001 107 PHE E C 15422 O O . PHE E 107 ? 0.0862 0.0804 0.0949 0.0002 0.0014 -0.0002 107 PHE E O 15423 C CB . PHE E 107 ? 0.0868 0.0824 0.0948 -0.0013 0.0012 -0.0002 107 PHE E CB 15424 C CG . PHE E 107 ? 0.0939 0.0906 0.1019 -0.0020 0.0011 -0.0002 107 PHE E CG 15425 C CD1 . PHE E 107 ? 0.0854 0.0827 0.0934 -0.0024 0.0008 0.0000 107 PHE E CD1 15426 C CD2 . PHE E 107 ? 0.0949 0.0917 0.1026 -0.0025 0.0014 -0.0004 107 PHE E CD2 15427 C CE1 . PHE E 107 ? 0.0930 0.0912 0.1009 -0.0031 0.0006 0.0000 107 PHE E CE1 15428 C CE2 . PHE E 107 ? 0.0953 0.0931 0.1030 -0.0032 0.0012 -0.0004 107 PHE E CE2 15429 C CZ . PHE E 107 ? 0.0997 0.0981 0.1075 -0.0035 0.0009 -0.0002 107 PHE E CZ 15439 N N . TRP E 108 ? 0.0658 0.0611 0.0750 -0.0002 0.0008 0.0005 108 TRP E N 15440 C CA . TRP E 108 ? 0.0716 0.0659 0.0809 0.0002 0.0006 0.0004 108 TRP E CA 15441 C C . TRP E 108 ? 0.0702 0.0644 0.0789 -0.0002 0.0003 0.0005 108 TRP E C 15442 O O . TRP E 108 ? 0.0878 0.0830 0.0968 -0.0005 0.0001 0.0009 108 TRP E O 15443 C CB . TRP E 108 ? 0.0860 0.0807 0.0963 0.0008 0.0005 0.0010 108 TRP E CB 15444 C CG . TRP E 108 ? 0.0876 0.0824 0.0985 0.0013 0.0008 0.0009 108 TRP E CG 15445 C CD1 . TRP E 108 ? 0.1423 0.1383 0.1537 0.0013 0.0010 0.0010 108 TRP E CD1 15446 C CD2 . TRP E 108 ? 0.0840 0.0778 0.0951 0.0020 0.0009 0.0007 108 TRP E CD2 15447 N NE1 . TRP E 108 ? 0.1522 0.1480 0.1641 0.0020 0.0013 0.0009 108 TRP E NE1 15448 C CE2 . TRP E 108 ? 0.1095 0.1038 0.1212 0.0024 0.0012 0.0007 108 TRP E CE2 15449 C CE3 . TRP E 108 ? 0.0983 0.0908 0.1092 0.0023 0.0008 0.0005 108 TRP E CE3 15450 C CZ2 . TRP E 108 ? 0.1305 0.1241 0.1425 0.0031 0.0014 0.0005 108 TRP E CZ2 15451 C CZ3 . TRP E 108 ? 0.1256 0.1173 0.1369 0.0029 0.0009 0.0003 108 TRP E CZ3 15452 C CH2 . TRP E 108 ? 0.1455 0.1377 0.1572 0.0034 0.0013 0.0002 108 TRP E CH2 15463 N N . ILE E 109 ? 0.0656 0.0586 0.0736 -0.0002 0.0004 0.0001 109 ILE E N 15464 C CA . ILE E 109 ? 0.0694 0.0622 0.0767 -0.0006 0.0002 0.0001 109 ILE E CA 15465 C C . ILE E 109 ? 0.0945 0.0866 0.1020 -0.0003 0.0000 0.0002 109 ILE E C 15466 O O . ILE E 109 ? 0.1089 0.0999 0.1162 0.0000 0.0001 -0.0001 109 ILE E O 15467 C CB . ILE E 109 ? 0.0788 0.0709 0.0851 -0.0009 0.0004 -0.0005 109 ILE E CB 15468 C CG1 . ILE E 109 ? 0.1109 0.1037 0.1172 -0.0013 0.0005 -0.0006 109 ILE E CG1 15469 C CG2 . ILE E 109 ? 0.1396 0.1315 0.1454 -0.0012 0.0002 -0.0006 109 ILE E CG2 15470 C CD1 . ILE E 109 ? 0.1429 0.1370 0.1494 -0.0017 0.0003 -0.0003 109 ILE E CD1 15482 N N . ASN E 110 ? 0.0800 0.0727 0.0879 -0.0004 -0.0003 0.0007 110 ASN E N 15483 C CA . ASN E 110 ? 0.0918 0.0838 0.1000 -0.0002 -0.0005 0.0009 110 ASN E CA 15484 C C . ASN E 110 ? 0.1036 0.0949 0.1123 0.0004 -0.0005 0.0009 110 ASN E C 15485 O O . ASN E 110 ? 0.1464 0.1366 0.1550 0.0006 -0.0005 0.0007 110 ASN E O 15486 C CB . ASN E 110 ? 0.1254 0.1166 0.1328 -0.0003 -0.0006 0.0005 110 ASN E CB 15487 C CG . ASN E 110 ? 0.1521 0.1440 0.1589 -0.0008 -0.0006 0.0005 110 ASN E CG 15488 O OD1 . ASN E 110 ? 0.1228 0.1159 0.1300 -0.0011 -0.0008 0.0010 110 ASN E OD1 15489 N ND2 . ASN E 110 ? 0.2106 0.2020 0.2166 -0.0010 -0.0005 0.0000 110 ASN E ND2 15496 N N . GLY E 111 ? 0.0973 0.0892 0.1067 0.0006 -0.0004 0.0011 111 GLY E N 15497 C CA . GLY E 111 ? 0.1324 0.1237 0.1424 0.0012 -0.0003 0.0011 111 GLY E CA 15498 C C . GLY E 111 ? 0.1248 0.1152 0.1343 0.0015 0.0001 0.0004 111 GLY E C 15499 O O . GLY E 111 ? 0.1938 0.1837 0.2038 0.0020 0.0002 0.0003 111 GLY E O 15503 N N . THR E 112 ? 0.1149 0.1052 0.1235 0.0012 0.0002 0.0000 112 THR E N 15504 C CA A THR E 112 ? 0.1058 0.0953 0.1138 0.0013 0.0006 -0.0006 112 THR E CA 15505 C CA B THR E 112 ? 0.1366 0.1262 0.1447 0.0014 0.0006 -0.0006 112 THR E CA 15506 C C . THR E 112 ? 0.1051 0.0955 0.1131 0.0012 0.0009 -0.0007 112 THR E C 15507 O O . THR E 112 ? 0.1077 0.0989 0.1156 0.0007 0.0008 -0.0006 112 THR E O 15508 C CB A THR E 112 ? 0.1319 0.1207 0.1389 0.0010 0.0006 -0.0010 112 THR E CB 15509 C CB B THR E 112 ? 0.1316 0.1201 0.1388 0.0012 0.0006 -0.0010 112 THR E CB 15510 O OG1 A THR E 112 ? 0.1869 0.1749 0.1938 0.0011 0.0003 -0.0010 112 THR E OG1 15511 O OG1 B THR E 112 ? 0.1269 0.1159 0.1335 0.0007 0.0006 -0.0011 112 THR E OG1 15512 C CG2 A THR E 112 ? 0.1502 0.1384 0.1565 0.0012 0.0009 -0.0016 112 THR E CG2 15513 C CG2 B THR E 112 ? 0.0886 0.0765 0.0960 0.0013 0.0002 -0.0009 112 THR E CG2 15528 N N . PRO E 113 ? 0.0865 0.0767 0.0947 0.0017 0.0012 -0.0009 113 PRO E N 15529 C CA . PRO E 113 ? 0.0794 0.0706 0.0877 0.0016 0.0015 -0.0009 113 PRO E CA 15530 C C . PRO E 113 ? 0.0912 0.0820 0.0985 0.0012 0.0017 -0.0013 113 PRO E C 15531 O O . PRO E 113 ? 0.1079 0.0977 0.1146 0.0013 0.0018 -0.0017 113 PRO E O 15532 C CB . PRO E 113 ? 0.0926 0.0838 0.1015 0.0022 0.0017 -0.0010 113 PRO E CB 15533 C CG . PRO E 113 ? 0.0984 0.0881 0.1069 0.0026 0.0017 -0.0014 113 PRO E CG 15534 C CD . PRO E 113 ? 0.1080 0.0974 0.1165 0.0023 0.0012 -0.0011 113 PRO E CD 15542 N N . LEU E 114 ? 0.0777 0.0693 0.0849 0.0007 0.0017 -0.0012 114 LEU E N 15543 C CA . LEU E 114 ? 0.0938 0.0851 0.1002 0.0003 0.0020 -0.0015 114 LEU E CA 15544 C C . LEU E 114 ? 0.0737 0.0654 0.0803 0.0006 0.0024 -0.0016 114 LEU E C 15545 O O . LEU E 114 ? 0.0921 0.0844 0.0995 0.0010 0.0025 -0.0014 114 LEU E O 15546 C CB . LEU E 114 ? 0.0775 0.0695 0.0838 -0.0004 0.0019 -0.0013 114 LEU E CB 15547 C CG . LEU E 114 ? 0.1191 0.1110 0.1252 -0.0007 0.0015 -0.0012 114 LEU E CG 15548 C CD1 . LEU E 114 ? 0.0995 0.0916 0.1051 -0.0014 0.0015 -0.0013 114 LEU E CD1 15549 C CD2 . LEU E 114 ? 0.1463 0.1371 0.1520 -0.0004 0.0014 -0.0014 114 LEU E CD2 15561 N N . VAL E 115 ? 0.0815 0.0728 0.0873 0.0003 0.0027 -0.0018 115 VAL E N 15562 C CA . VAL E 115 ? 0.0762 0.0680 0.0822 0.0005 0.0031 -0.0018 115 VAL E CA 15563 C C . VAL E 115 ? 0.0798 0.0731 0.0866 0.0002 0.0032 -0.0014 115 VAL E C 15564 O O . VAL E 115 ? 0.0918 0.0856 0.0986 -0.0004 0.0030 -0.0013 115 VAL E O 15565 C CB . VAL E 115 ? 0.0814 0.0726 0.0864 0.0001 0.0034 -0.0021 115 VAL E CB 15566 C CG1 . VAL E 115 ? 0.0851 0.0769 0.0902 0.0002 0.0038 -0.0020 115 VAL E CG1 15567 C CG2 . VAL E 115 ? 0.0963 0.0861 0.1004 0.0004 0.0033 -0.0024 115 VAL E CG2 15577 N N . LYS E 116 ? 0.0841 0.0782 0.0917 0.0007 0.0034 -0.0013 116 LYS E N 15578 C CA . LYS E 116 ? 0.0764 0.0721 0.0849 0.0005 0.0035 -0.0009 116 LYS E CA 15579 C C . LYS E 116 ? 0.1065 0.1026 0.1146 -0.0002 0.0037 -0.0009 116 LYS E C 15580 O O . LYS E 116 ? 0.1101 0.1055 0.1175 -0.0002 0.0040 -0.0011 116 LYS E O 15581 C CB . LYS E 116 ? 0.0965 0.0928 0.1057 0.0012 0.0037 -0.0008 116 LYS E CB 15582 C CG . LYS E 116 ? 0.1120 0.1082 0.1219 0.0018 0.0035 -0.0007 116 LYS E CG 15583 C CD . LYS E 116 ? 0.1486 0.1452 0.1592 0.0026 0.0038 -0.0007 116 LYS E CD 15584 C CE . LYS E 116 ? 0.1652 0.1621 0.1768 0.0032 0.0036 -0.0005 116 LYS E CE 15585 N NZ . LYS E 116 ? 0.1611 0.1566 0.1724 0.0035 0.0033 -0.0007 116 LYS E NZ 15599 N N . LYS E 117 ? 0.0868 0.0841 0.0954 -0.0008 0.0036 -0.0006 117 LYS E N 15600 C CA . LYS E 117 ? 0.0772 0.0751 0.0857 -0.0014 0.0038 -0.0005 117 LYS E CA 15601 C C . LYS E 117 ? 0.0972 0.0969 0.1069 -0.0015 0.0038 -0.0001 117 LYS E C 15602 O O . LYS E 117 ? 0.1362 0.1367 0.1467 -0.0010 0.0037 0.0002 117 LYS E O 15603 C CB . LYS E 117 ? 0.1089 0.1063 0.1169 -0.0022 0.0035 -0.0006 117 LYS E CB 15604 C CG . LYS E 117 ? 0.1081 0.1037 0.1149 -0.0022 0.0035 -0.0010 117 LYS E CG 15605 C CD . LYS E 117 ? 0.1280 0.1228 0.1341 -0.0021 0.0039 -0.0012 117 LYS E CD 15606 C CE . LYS E 117 ? 0.1234 0.1165 0.1285 -0.0018 0.0038 -0.0015 117 LYS E CE 15607 N NZ . LYS E 117 ? 0.1431 0.1355 0.1477 -0.0023 0.0035 -0.0017 117 LYS E NZ 15621 N N . GLY E 118 ? 0.1018 0.1024 0.1117 -0.0021 0.0041 0.0001 118 GLY E N 15622 C CA . GLY E 118 ? 0.0993 0.1018 0.1103 -0.0021 0.0041 0.0005 118 GLY E CA 15623 C C . GLY E 118 ? 0.0907 0.0942 0.1019 -0.0031 0.0040 0.0007 118 GLY E C 15624 O O . GLY E 118 ? 0.1159 0.1186 0.1264 -0.0037 0.0042 0.0005 118 GLY E O 15628 N N . LEU E 119 ? 0.0752 0.0803 0.0874 -0.0033 0.0038 0.0010 119 LEU E N 15629 C CA . LEU E 119 ? 0.0793 0.0854 0.0917 -0.0043 0.0037 0.0012 119 LEU E CA 15630 C C . LEU E 119 ? 0.0968 0.1052 0.1106 -0.0043 0.0035 0.0017 119 LEU E C 15631 O O . LEU E 119 ? 0.0983 0.1071 0.1126 -0.0036 0.0033 0.0019 119 LEU E O 15632 C CB . LEU E 119 ? 0.0958 0.1011 0.1075 -0.0051 0.0032 0.0009 119 LEU E CB 15633 C CG . LEU E 119 ? 0.0766 0.0823 0.0886 -0.0050 0.0027 0.0010 119 LEU E CG 15634 C CD1 . LEU E 119 ? 0.1010 0.1060 0.1122 -0.0058 0.0023 0.0007 119 LEU E CD1 15635 C CD2 . LEU E 119 ? 0.1064 0.1110 0.1181 -0.0040 0.0026 0.0010 119 LEU E CD2 15647 N N . ARG E 120 ? 0.1022 0.1119 0.1165 -0.0051 0.0035 0.0019 120 ARG E N 15648 C CA . ARG E 120 ? 0.0844 0.0962 0.0999 -0.0052 0.0033 0.0024 120 ARG E CA 15649 C C . ARG E 120 ? 0.0796 0.0926 0.0962 -0.0042 0.0036 0.0028 120 ARG E C 15650 O O . ARG E 120 ? 0.0954 0.1098 0.1129 -0.0039 0.0032 0.0031 120 ARG E O 15651 C CB . ARG E 120 ? 0.0895 0.1014 0.1048 -0.0056 0.0027 0.0024 120 ARG E CB 15652 C CG . ARG E 120 ? 0.1104 0.1219 0.1250 -0.0068 0.0024 0.0020 120 ARG E CG 15653 C CD . ARG E 120 ? 0.1675 0.1809 0.1831 -0.0076 0.0024 0.0023 120 ARG E CD 15654 N NE . ARG E 120 ? 0.1306 0.1440 0.1457 -0.0087 0.0020 0.0021 120 ARG E NE 15655 C CZ . ARG E 120 ? 0.1296 0.1443 0.1453 -0.0097 0.0020 0.0022 120 ARG E CZ 15656 N NH1 . ARG E 120 ? 0.1518 0.1665 0.1671 -0.0107 0.0016 0.0020 120 ARG E NH1 15657 N NH2 . ARG E 120 ? 0.1624 0.1785 0.1790 -0.0096 0.0023 0.0027 120 ARG E NH2 15671 N N . GLN E 121 ? 0.0946 0.1072 0.1111 -0.0036 0.0041 0.0027 121 GLN E N 15672 C CA . GLN E 121 ? 0.0891 0.1028 0.1066 -0.0025 0.0044 0.0030 121 GLN E CA 15673 C C . GLN E 121 ? 0.1101 0.1264 0.1290 -0.0028 0.0043 0.0035 121 GLN E C 15674 O O . GLN E 121 ? 0.1173 0.1344 0.1363 -0.0037 0.0045 0.0036 121 GLN E O 15675 C CB . GLN E 121 ? 0.0992 0.1122 0.1163 -0.0020 0.0050 0.0027 121 GLN E CB 15676 C CG . GLN E 121 ? 0.1191 0.1332 0.1372 -0.0009 0.0054 0.0029 121 GLN E CG 15677 C CD . GLN E 121 ? 0.1242 0.1376 0.1418 -0.0003 0.0060 0.0026 121 GLN E CD 15678 O OE1 . GLN E 121 ? 0.1640 0.1771 0.1809 -0.0009 0.0063 0.0025 121 GLN E OE1 15679 N NE2 . GLN E 121 ? 0.1398 0.1528 0.1576 0.0009 0.0062 0.0025 121 GLN E NE2 15688 N N . GLY E 122 ? 0.1034 0.1208 0.1233 -0.0022 0.0041 0.0039 122 GLY E N 15689 C CA . GLY E 122 ? 0.0906 0.1106 0.1119 -0.0024 0.0040 0.0045 122 GLY E CA 15690 C C . GLY E 122 ? 0.1102 0.1311 0.1317 -0.0033 0.0034 0.0047 122 GLY E C 15691 O O . GLY E 122 ? 0.1168 0.1400 0.1396 -0.0033 0.0032 0.0053 122 GLY E O 15695 N N . TYR E 123 ? 0.1000 0.1195 0.1204 -0.0040 0.0030 0.0043 123 TYR E N 15696 C CA . TYR E 123 ? 0.0767 0.0970 0.0971 -0.0049 0.0024 0.0044 123 TYR E CA 15697 C C . TYR E 123 ? 0.1031 0.1239 0.1240 -0.0043 0.0019 0.0048 123 TYR E C 15698 O O . TYR E 123 ? 0.1244 0.1442 0.1453 -0.0033 0.0020 0.0048 123 TYR E O 15699 C CB . TYR E 123 ? 0.1148 0.1330 0.1337 -0.0057 0.0022 0.0038 123 TYR E CB 15700 C CG . TYR E 123 ? 0.1142 0.1329 0.1328 -0.0067 0.0016 0.0037 123 TYR E CG 15701 C CD1 . TYR E 123 ? 0.1033 0.1234 0.1223 -0.0077 0.0015 0.0038 123 TYR E CD1 15702 C CD2 . TYR E 123 ? 0.1028 0.1205 0.1207 -0.0067 0.0012 0.0035 123 TYR E CD2 15703 C CE1 . TYR E 123 ? 0.1060 0.1265 0.1247 -0.0087 0.0010 0.0037 123 TYR E CE1 15704 C CE2 . TYR E 123 ? 0.0912 0.1093 0.1088 -0.0076 0.0007 0.0034 123 TYR E CE2 15705 C CZ . TYR E 123 ? 0.0923 0.1118 0.1103 -0.0086 0.0006 0.0034 123 TYR E CZ 15706 O OH . TYR E 123 ? 0.1325 0.1526 0.1501 -0.0096 0.0000 0.0032 123 TYR E OH 15716 N N . PHE E 124 ? 0.0973 0.1196 0.1186 -0.0049 0.0014 0.0051 124 PHE E N 15717 C CA . PHE E 124 ? 0.1134 0.1361 0.1350 -0.0046 0.0009 0.0054 124 PHE E CA 15718 C C . PHE E 124 ? 0.1366 0.1587 0.1571 -0.0056 0.0003 0.0051 124 PHE E C 15719 O O . PHE E 124 ? 0.1351 0.1582 0.1556 -0.0066 0.0001 0.0050 124 PHE E O 15720 C CB . PHE E 124 ? 0.1417 0.1671 0.1648 -0.0044 0.0006 0.0062 124 PHE E CB 15721 C CG . PHE E 124 ? 0.1735 0.1995 0.1978 -0.0031 0.0010 0.0066 124 PHE E CG 15722 C CD1 . PHE E 124 ? 0.1995 0.2256 0.2241 -0.0029 0.0017 0.0065 124 PHE E CD1 15723 C CD2 . PHE E 124 ? 0.2403 0.2669 0.2653 -0.0022 0.0008 0.0072 124 PHE E CD2 15724 C CE1 . PHE E 124 ? 0.2169 0.2437 0.2426 -0.0017 0.0021 0.0068 124 PHE E CE1 15725 C CE2 . PHE E 124 ? 0.2339 0.2610 0.2600 -0.0010 0.0012 0.0075 124 PHE E CE2 15726 C CZ . PHE E 124 ? 0.2190 0.2462 0.2454 -0.0007 0.0018 0.0073 124 PHE E CZ 15736 N N . VAL E 125 ? 0.1280 0.1488 0.1478 -0.0052 0.0001 0.0050 125 VAL E N 15737 C CA . VAL E 125 ? 0.1260 0.1464 0.1449 -0.0061 -0.0004 0.0046 125 VAL E CA 15738 C C . VAL E 125 ? 0.1255 0.1483 0.1452 -0.0065 -0.0009 0.0052 125 VAL E C 15739 O O . VAL E 125 ? 0.1222 0.1461 0.1428 -0.0058 -0.0011 0.0058 125 VAL E O 15740 C CB . VAL E 125 ? 0.1422 0.1608 0.1603 -0.0055 -0.0005 0.0045 125 VAL E CB 15741 C CG1 . VAL E 125 ? 0.1324 0.1508 0.1495 -0.0063 -0.0010 0.0042 125 VAL E CG1 15742 C CG2 . VAL E 125 ? 0.1869 0.2032 0.2040 -0.0052 0.0000 0.0039 125 VAL E CG2 15752 N N . GLU E 126 ? 0.1162 0.1396 0.1355 -0.0076 -0.0012 0.0049 126 GLU E N 15753 C CA . GLU E 126 ? 0.1254 0.1512 0.1454 -0.0082 -0.0018 0.0053 126 GLU E CA 15754 C C . GLU E 126 ? 0.1149 0.1410 0.1347 -0.0078 -0.0023 0.0056 126 GLU E C 15755 O O . GLU E 126 ? 0.1388 0.1632 0.1576 -0.0076 -0.0023 0.0053 126 GLU E O 15756 C CB . GLU E 126 ? 0.1462 0.1723 0.1656 -0.0095 -0.0020 0.0048 126 GLU E CB 15757 C CG . GLU E 126 ? 0.1657 0.1945 0.1859 -0.0102 -0.0026 0.0052 126 GLU E CG 15758 C CD . GLU E 126 ? 0.2718 0.3027 0.2936 -0.0097 -0.0024 0.0060 126 GLU E CD 15759 O OE1 . GLU E 126 ? 0.3384 0.3706 0.3611 -0.0089 -0.0027 0.0067 126 GLU E OE1 15760 O OE2 . GLU E 126 ? 0.2906 0.3219 0.3129 -0.0101 -0.0021 0.0059 126 GLU E OE2 15767 N N . ALA E 127 ? 0.1502 0.1787 0.1711 -0.0078 -0.0027 0.0064 127 ALA E N 15768 C CA . ALA E 127 ? 0.1628 0.1919 0.1836 -0.0075 -0.0032 0.0068 127 ALA E CA 15769 C C . ALA E 127 ? 0.1350 0.1650 0.1551 -0.0086 -0.0037 0.0065 127 ALA E C 15770 O O . ALA E 127 ? 0.1696 0.1993 0.1890 -0.0096 -0.0037 0.0059 127 ALA E O 15771 C CB . ALA E 127 ? 0.2759 0.3070 0.2983 -0.0066 -0.0033 0.0079 127 ALA E CB 15777 N N . GLN E 128 ? 0.1616 0.1927 0.1818 -0.0084 -0.0042 0.0071 128 GLN E N 15778 C CA . GLN E 128 ? 0.1454 0.1773 0.1647 -0.0093 -0.0048 0.0068 128 GLN E CA 15779 C C . GLN E 128 ? 0.1260 0.1558 0.1437 -0.0099 -0.0047 0.0058 128 GLN E C 15780 O O . GLN E 128 ? 0.1501 0.1801 0.1671 -0.0109 -0.0049 0.0051 128 GLN E O 15781 C CB . GLN E 128 ? 0.1798 0.2142 0.1998 -0.0102 -0.0052 0.0069 128 GLN E CB 15782 C CG . GLN E 128 ? 0.2247 0.2617 0.2463 -0.0096 -0.0054 0.0081 128 GLN E CG 15783 C CD . GLN E 128 ? 0.6448 0.6841 0.6672 -0.0105 -0.0057 0.0082 128 GLN E CD 15784 O OE1 . GLN E 128 ? 0.7695 0.8085 0.7914 -0.0115 -0.0057 0.0074 128 GLN E OE1 15785 N NE2 . GLN E 128 ? 0.8130 0.8547 0.8368 -0.0101 -0.0060 0.0091 128 GLN E NE2 15794 N N . PRO E 129 ? 0.1369 0.1646 0.1539 -0.0092 -0.0044 0.0057 129 PRO E N 15795 C CA . PRO E 129 ? 0.1328 0.1585 0.1484 -0.0097 -0.0042 0.0047 129 PRO E CA 15796 C C . PRO E 129 ? 0.1194 0.1453 0.1340 -0.0101 -0.0047 0.0044 129 PRO E C 15797 O O . PRO E 129 ? 0.1652 0.1926 0.1800 -0.0099 -0.0051 0.0051 129 PRO E O 15798 C CB . PRO E 129 ? 0.1239 0.1475 0.1394 -0.0087 -0.0038 0.0047 129 PRO E CB 15799 C CG . PRO E 129 ? 0.1241 0.1488 0.1405 -0.0078 -0.0040 0.0057 129 PRO E CG 15800 C CD . PRO E 129 ? 0.1197 0.1467 0.1373 -0.0080 -0.0042 0.0063 129 PRO E CD 15808 N N . LYS E 130 ? 0.1186 0.1429 0.1319 -0.0107 -0.0046 0.0035 130 LYS E N 15809 C CA . LYS E 130 ? 0.1066 0.1303 0.1186 -0.0109 -0.0048 0.0031 130 LYS E CA 15810 C C . LYS E 130 ? 0.0731 0.0943 0.0846 -0.0102 -0.0043 0.0028 130 LYS E C 15811 O O . LYS E 130 ? 0.0875 0.1071 0.0987 -0.0103 -0.0039 0.0023 130 LYS E O 15812 C CB . LYS E 130 ? 0.1203 0.1442 0.1313 -0.0120 -0.0050 0.0022 130 LYS E CB 15813 C CG . LYS E 130 ? 0.1728 0.1995 0.1844 -0.0126 -0.0056 0.0026 130 LYS E CG 15814 C CD . LYS E 130 ? 0.3292 0.3562 0.3397 -0.0137 -0.0060 0.0017 130 LYS E CD 15815 C CE . LYS E 130 ? 0.3344 0.3644 0.3455 -0.0142 -0.0066 0.0023 130 LYS E CE 15816 N NZ . LYS E 130 ? 0.4153 0.4467 0.4268 -0.0135 -0.0069 0.0033 130 LYS E NZ 15830 N N . ILE E 131 ? 0.0756 0.0965 0.0869 -0.0096 -0.0043 0.0032 131 ILE E N 15831 C CA . ILE E 131 ? 0.0791 0.0978 0.0899 -0.0089 -0.0039 0.0030 131 ILE E CA 15832 C C . ILE E 131 ? 0.0887 0.1068 0.0983 -0.0091 -0.0041 0.0026 131 ILE E C 15833 O O . ILE E 131 ? 0.0899 0.1094 0.0994 -0.0092 -0.0044 0.0030 131 ILE E O 15834 C CB . ILE E 131 ? 0.0761 0.0950 0.0879 -0.0079 -0.0039 0.0040 131 ILE E CB 15835 C CG1 . ILE E 131 ? 0.1127 0.1323 0.1257 -0.0076 -0.0037 0.0044 131 ILE E CG1 15836 C CG2 . ILE E 131 ? 0.1099 0.1265 0.1212 -0.0073 -0.0035 0.0037 131 ILE E CG2 15837 C CD1 . ILE E 131 ? 0.1157 0.1356 0.1299 -0.0066 -0.0037 0.0054 131 ILE E CD1 15849 N N . VAL E 132 ? 0.0689 0.0849 0.0775 -0.0092 -0.0037 0.0017 132 VAL E N 15850 C CA . VAL E 132 ? 0.0765 0.0919 0.0839 -0.0095 -0.0038 0.0012 132 VAL E CA 15851 C C . VAL E 132 ? 0.0770 0.0903 0.0839 -0.0088 -0.0034 0.0010 132 VAL E C 15852 O O . VAL E 132 ? 0.0864 0.0983 0.0935 -0.0086 -0.0030 0.0007 132 VAL E O 15853 C CB . VAL E 132 ? 0.0893 0.1044 0.0958 -0.0104 -0.0038 0.0002 132 VAL E CB 15854 C CG1 . VAL E 132 ? 0.1188 0.1329 0.1240 -0.0105 -0.0038 -0.0006 132 VAL E CG1 15855 C CG2 . VAL E 132 ? 0.1034 0.1207 0.1103 -0.0110 -0.0043 0.0003 132 VAL E CG2 15865 N N . LEU E 133 ? 0.0753 0.0887 0.0818 -0.0086 -0.0035 0.0012 133 LEU E N 15866 C CA . LEU E 133 ? 0.0686 0.0802 0.0744 -0.0082 -0.0032 0.0008 133 LEU E CA 15867 C C . LEU E 133 ? 0.0748 0.0860 0.0793 -0.0087 -0.0033 0.0000 133 LEU E C 15868 O O . LEU E 133 ? 0.0810 0.0937 0.0852 -0.0092 -0.0036 -0.0001 133 LEU E O 15869 C CB . LEU E 133 ? 0.0814 0.0932 0.0875 -0.0075 -0.0033 0.0016 133 LEU E CB 15870 C CG . LEU E 133 ? 0.0780 0.0902 0.0854 -0.0069 -0.0033 0.0025 133 LEU E CG 15871 C CD1 . LEU E 133 ? 0.0981 0.1104 0.1057 -0.0064 -0.0034 0.0033 133 LEU E CD1 15872 C CD2 . LEU E 133 ? 0.1033 0.1139 0.1110 -0.0065 -0.0029 0.0023 133 LEU E CD2 15884 N N . GLY E 134 ? 0.0713 0.0806 0.0752 -0.0085 -0.0029 -0.0007 134 GLY E N 15885 C CA . GLY E 134 ? 0.0612 0.0700 0.0639 -0.0089 -0.0029 -0.0016 134 GLY E CA 15886 C C . GLY E 134 ? 0.0731 0.0810 0.0752 -0.0095 -0.0028 -0.0025 134 GLY E C 15887 O O . GLY E 134 ? 0.0851 0.0918 0.0862 -0.0096 -0.0026 -0.0033 134 GLY E O 15891 N N . GLN E 135 ? 0.0768 0.0854 0.0795 -0.0099 -0.0029 -0.0024 135 GLN E N 15892 C CA . GLN E 135 ? 0.0788 0.0866 0.0811 -0.0106 -0.0028 -0.0032 135 GLN E CA 15893 C C . GLN E 135 ? 0.0688 0.0765 0.0721 -0.0106 -0.0027 -0.0028 135 GLN E C 15894 O O . GLN E 135 ? 0.0771 0.0859 0.0814 -0.0102 -0.0027 -0.0020 135 GLN E O 15895 C CB . GLN E 135 ? 0.0834 0.0927 0.0853 -0.0114 -0.0032 -0.0036 135 GLN E CB 15896 C CG . GLN E 135 ? 0.0824 0.0922 0.0834 -0.0114 -0.0034 -0.0039 135 GLN E CG 15897 C CD . GLN E 135 ? 0.0942 0.1021 0.0941 -0.0114 -0.0031 -0.0049 135 GLN E CD 15898 O OE1 . GLN E 135 ? 0.0996 0.1059 0.0993 -0.0116 -0.0028 -0.0054 135 GLN E OE1 15899 N NE2 . GLN E 135 ? 0.1054 0.1134 0.1045 -0.0112 -0.0031 -0.0051 135 GLN E NE2 15908 N N . GLU E 136 ? 0.0735 0.0801 0.0766 -0.0110 -0.0025 -0.0034 136 GLU E N 15909 C CA . GLU E 136 ? 0.0662 0.0727 0.0700 -0.0112 -0.0023 -0.0032 136 GLU E CA 15910 C C . GLU E 136 ? 0.0807 0.0886 0.0847 -0.0121 -0.0026 -0.0034 136 GLU E C 15911 O O . GLU E 136 ? 0.1021 0.1096 0.1053 -0.0128 -0.0027 -0.0042 136 GLU E O 15912 C CB . GLU E 136 ? 0.0813 0.0856 0.0846 -0.0111 -0.0019 -0.0037 136 GLU E CB 15913 C CG . GLU E 136 ? 0.0803 0.0842 0.0845 -0.0109 -0.0015 -0.0033 136 GLU E CG 15914 C CD . GLU E 136 ? 0.1018 0.1066 0.1065 -0.0117 -0.0016 -0.0033 136 GLU E CD 15915 O OE1 . GLU E 136 ? 0.0978 0.1020 0.1019 -0.0124 -0.0017 -0.0040 136 GLU E OE1 15916 O OE2 . GLU E 136 ? 0.0992 0.1050 0.1048 -0.0115 -0.0016 -0.0027 136 GLU E OE2 15923 N N . GLN E 137 ? 0.0833 0.0929 0.0884 -0.0122 -0.0028 -0.0027 137 GLN E N 15924 C CA . GLN E 137 ? 0.0746 0.0857 0.0800 -0.0131 -0.0031 -0.0028 137 GLN E CA 15925 C C . GLN E 137 ? 0.1029 0.1130 0.1084 -0.0137 -0.0029 -0.0032 137 GLN E C 15926 O O . GLN E 137 ? 0.0918 0.1011 0.0978 -0.0133 -0.0025 -0.0029 137 GLN E O 15927 C CB . GLN E 137 ? 0.0855 0.0988 0.0921 -0.0130 -0.0034 -0.0019 137 GLN E CB 15928 C CG . GLN E 137 ? 0.1060 0.1207 0.1127 -0.0125 -0.0037 -0.0014 137 GLN E CG 15929 C CD . GLN E 137 ? 0.0953 0.1119 0.1033 -0.0122 -0.0038 -0.0004 137 GLN E CD 15930 O OE1 . GLN E 137 ? 0.1337 0.1522 0.1422 -0.0127 -0.0042 -0.0002 137 GLN E OE1 15931 N NE2 . GLN E 137 ? 0.0797 0.0957 0.0882 -0.0112 -0.0036 0.0002 137 GLN E NE2 15940 N N . ASP E 138 ? 0.0979 0.1082 0.1030 -0.0147 -0.0031 -0.0039 138 ASP E N 15941 C CA . ASP E 138 ? 0.1030 0.1130 0.1086 -0.0154 -0.0030 -0.0040 138 ASP E CA 15942 C C . ASP E 138 ? 0.1373 0.1497 0.1437 -0.0162 -0.0034 -0.0037 138 ASP E C 15943 O O . ASP E 138 ? 0.1604 0.1729 0.1673 -0.0168 -0.0034 -0.0037 138 ASP E O 15944 C CB . ASP E 138 ? 0.1034 0.1114 0.1080 -0.0160 -0.0029 -0.0050 138 ASP E CB 15945 C CG . ASP E 138 ? 0.1064 0.1121 0.1104 -0.0153 -0.0024 -0.0052 138 ASP E CG 15946 O OD1 . ASP E 138 ? 0.1061 0.1116 0.1106 -0.0145 -0.0021 -0.0045 138 ASP E OD1 15947 O OD2 . ASP E 138 ? 0.1288 0.1328 0.1318 -0.0155 -0.0023 -0.0060 138 ASP E OD2 15952 N N . SER E 139 ? 0.1223 0.1365 0.1288 -0.0162 -0.0039 -0.0035 139 SER E N 15953 C CA . SER E 139 ? 0.1109 0.1276 0.1182 -0.0168 -0.0043 -0.0031 139 SER E CA 15954 C C . SER E 139 ? 0.1463 0.1648 0.1546 -0.0160 -0.0044 -0.0021 139 SER E C 15955 O O . SER E 139 ? 0.1518 0.1695 0.1600 -0.0150 -0.0042 -0.0017 139 SER E O 15956 C CB . SER E 139 ? 0.1490 0.1664 0.1555 -0.0178 -0.0048 -0.0038 139 SER E CB 15957 O OG . SER E 139 ? 0.1621 0.1801 0.1681 -0.0173 -0.0051 -0.0038 139 SER E OG 15963 N N . TYR E 140 ? 0.1279 0.1488 0.1369 -0.0163 -0.0049 -0.0016 140 TYR E N 15964 C CA . TYR E 140 ? 0.1231 0.1458 0.1330 -0.0156 -0.0050 -0.0006 140 TYR E CA 15965 C C . TYR E 140 ? 0.1667 0.1899 0.1758 -0.0155 -0.0054 -0.0007 140 TYR E C 15966 O O . TYR E 140 ? 0.1672 0.1920 0.1760 -0.0161 -0.0059 -0.0008 140 TYR E O 15967 C CB . TYR E 140 ? 0.1401 0.1653 0.1513 -0.0160 -0.0054 0.0000 140 TYR E CB 15968 C CG . TYR E 140 ? 0.1374 0.1645 0.1497 -0.0152 -0.0055 0.0011 140 TYR E CG 15969 C CD1 . TYR E 140 ? 0.1306 0.1569 0.1435 -0.0141 -0.0051 0.0018 140 TYR E CD1 15970 C CD2 . TYR E 140 ? 0.1612 0.1908 0.1739 -0.0155 -0.0061 0.0016 140 TYR E CD2 15971 C CE1 . TYR E 140 ? 0.1514 0.1792 0.1653 -0.0133 -0.0052 0.0028 140 TYR E CE1 15972 C CE2 . TYR E 140 ? 0.1805 0.2118 0.1943 -0.0147 -0.0062 0.0027 140 TYR E CE2 15973 C CZ . TYR E 140 ? 0.1739 0.2042 0.1883 -0.0136 -0.0058 0.0033 140 TYR E CZ 15974 O OH . TYR E 140 ? 0.1716 0.2035 0.1871 -0.0127 -0.0059 0.0044 140 TYR E OH 15984 N N . GLY E 141 ? 0.1230 0.1446 0.1314 -0.0147 -0.0051 -0.0007 141 GLY E N 15985 C CA . GLY E 141 ? 0.1301 0.1520 0.1377 -0.0144 -0.0054 -0.0007 141 GLY E CA 15986 C C . GLY E 141 ? 0.1567 0.1771 0.1628 -0.0148 -0.0053 -0.0018 141 GLY E C 15987 O O . GLY E 141 ? 0.2042 0.2249 0.2096 -0.0147 -0.0055 -0.0019 141 GLY E O 15991 N N . GLY E 142 ? 0.1219 0.1405 0.1276 -0.0153 -0.0050 -0.0026 142 GLY E N 15992 C CA . GLY E 142 ? 0.1450 0.1621 0.1493 -0.0157 -0.0050 -0.0037 142 GLY E CA 15993 C C . GLY E 142 ? 0.1265 0.1412 0.1304 -0.0159 -0.0046 -0.0045 142 GLY E C 15994 O O . GLY E 142 ? 0.1273 0.1409 0.1318 -0.0154 -0.0042 -0.0041 142 GLY E O 15998 N N . LYS E 143 ? 0.1354 0.1493 0.1383 -0.0166 -0.0047 -0.0055 143 LYS E N 15999 C CA . LYS E 143 ? 0.1247 0.1362 0.1271 -0.0168 -0.0043 -0.0063 143 LYS E CA 16000 C C . LYS E 143 ? 0.1290 0.1385 0.1310 -0.0158 -0.0038 -0.0061 143 LYS E C 16001 O O . LYS E 143 ? 0.1300 0.1383 0.1325 -0.0155 -0.0034 -0.0059 143 LYS E O 16002 C CB . LYS E 143 ? 0.1419 0.1533 0.1450 -0.0175 -0.0042 -0.0062 143 LYS E CB 16003 C CG . LYS E 143 ? 0.2917 0.3042 0.2948 -0.0187 -0.0047 -0.0067 143 LYS E CG 16004 C CD . LYS E 143 ? 0.4418 0.4540 0.4457 -0.0195 -0.0046 -0.0067 143 LYS E CD 16005 C CE . LYS E 143 ? 0.4821 0.4916 0.4857 -0.0191 -0.0040 -0.0070 143 LYS E CE 16006 N NZ . LYS E 143 ? 0.6640 0.6713 0.6664 -0.0195 -0.0039 -0.0081 143 LYS E NZ 16020 N N . PHE E 144 ? 0.1175 0.1270 0.1188 -0.0154 -0.0038 -0.0063 144 PHE E N 16021 C CA . PHE E 144 ? 0.0967 0.1046 0.0976 -0.0144 -0.0034 -0.0062 144 PHE E CA 16022 C C . PHE E 144 ? 0.1250 0.1306 0.1251 -0.0145 -0.0031 -0.0071 144 PHE E C 16023 O O . PHE E 144 ? 0.1406 0.1456 0.1401 -0.0153 -0.0032 -0.0080 144 PHE E O 16024 C CB . PHE E 144 ? 0.1002 0.1093 0.1008 -0.0140 -0.0036 -0.0059 144 PHE E CB 16025 C CG . PHE E 144 ? 0.0980 0.1094 0.0994 -0.0138 -0.0040 -0.0050 144 PHE E CG 16026 C CD1 . PHE E 144 ? 0.1120 0.1239 0.1147 -0.0134 -0.0039 -0.0041 144 PHE E CD1 16027 C CD2 . PHE E 144 ? 0.1214 0.1346 0.1225 -0.0140 -0.0044 -0.0049 144 PHE E CD2 16028 C CE1 . PHE E 144 ? 0.1172 0.1311 0.1207 -0.0132 -0.0042 -0.0031 144 PHE E CE1 16029 C CE2 . PHE E 144 ? 0.1361 0.1514 0.1379 -0.0138 -0.0047 -0.0039 144 PHE E CE2 16030 C CZ . PHE E 144 ? 0.1311 0.1467 0.1342 -0.0134 -0.0046 -0.0030 144 PHE E CZ 16040 N N . ASP E 145 ? 0.0986 0.1027 0.0984 -0.0137 -0.0027 -0.0070 145 ASP E N 16041 C CA . ASP E 145 ? 0.0906 0.0923 0.0896 -0.0136 -0.0024 -0.0078 145 ASP E CA 16042 C C . ASP E 145 ? 0.1131 0.1142 0.1116 -0.0127 -0.0022 -0.0077 145 ASP E C 16043 O O . ASP E 145 ? 0.1029 0.1039 0.1019 -0.0120 -0.0020 -0.0070 145 ASP E O 16044 C CB . ASP E 145 ? 0.0953 0.0958 0.0949 -0.0136 -0.0021 -0.0075 145 ASP E CB 16045 C CG . ASP E 145 ? 0.1493 0.1473 0.1482 -0.0133 -0.0017 -0.0081 145 ASP E CG 16046 O OD1 . ASP E 145 ? 0.1275 0.1247 0.1256 -0.0131 -0.0016 -0.0087 145 ASP E OD1 16047 O OD2 . ASP E 145 ? 0.1439 0.1409 0.1432 -0.0134 -0.0014 -0.0079 145 ASP E OD2 16052 N N . ARG E 146 ? 0.0952 0.0958 0.0927 -0.0127 -0.0022 -0.0085 146 ARG E N 16053 C CA . ARG E 146 ? 0.0840 0.0844 0.0812 -0.0119 -0.0020 -0.0083 146 ARG E CA 16054 C C . ARG E 146 ? 0.0847 0.0832 0.0820 -0.0112 -0.0016 -0.0081 146 ARG E C 16055 O O . ARG E 146 ? 0.0845 0.0830 0.0818 -0.0105 -0.0015 -0.0077 146 ARG E O 16056 C CB . ARG E 146 ? 0.1263 0.1266 0.1223 -0.0120 -0.0021 -0.0092 146 ARG E CB 16057 C CG . ARG E 146 ? 0.1205 0.1188 0.1158 -0.0122 -0.0019 -0.0102 146 ARG E CG 16058 C CD . ARG E 146 ? 0.1277 0.1262 0.1219 -0.0123 -0.0020 -0.0111 146 ARG E CD 16059 N NE . ARG E 146 ? 0.1052 0.1035 0.0991 -0.0114 -0.0017 -0.0109 146 ARG E NE 16060 C CZ . ARG E 146 ? 0.1400 0.1390 0.1331 -0.0112 -0.0017 -0.0113 146 ARG E CZ 16061 N NH1 . ARG E 146 ? 0.1517 0.1504 0.1446 -0.0104 -0.0015 -0.0111 146 ARG E NH1 16062 N NH2 . ARG E 146 ? 0.1884 0.1884 0.1809 -0.0118 -0.0020 -0.0120 146 ARG E NH2 16076 N N . SER E 147 ? 0.0898 0.0868 0.0871 -0.0115 -0.0014 -0.0084 147 SER E N 16077 C CA A SER E 147 ? 0.1022 0.0975 0.0995 -0.0108 -0.0010 -0.0082 147 SER E CA 16078 C CA B SER E 147 ? 0.1021 0.0973 0.0994 -0.0108 -0.0010 -0.0082 147 SER E CA 16079 C C . SER E 147 ? 0.0919 0.0878 0.0902 -0.0104 -0.0009 -0.0073 147 SER E C 16080 O O . SER E 147 ? 0.1019 0.0966 0.1003 -0.0098 -0.0006 -0.0070 147 SER E O 16081 C CB A SER E 147 ? 0.1217 0.1152 0.1188 -0.0112 -0.0008 -0.0088 147 SER E CB 16082 C CB B SER E 147 ? 0.1156 0.1093 0.1129 -0.0113 -0.0008 -0.0087 147 SER E CB 16083 O OG A SER E 147 ? 0.1419 0.1358 0.1397 -0.0118 -0.0009 -0.0085 147 SER E OG 16084 O OG B SER E 147 ? 0.1271 0.1198 0.1234 -0.0115 -0.0008 -0.0097 147 SER E OG 16095 N N . GLN E 148 ? 0.0825 0.0802 0.0815 -0.0106 -0.0012 -0.0067 148 GLN E N 16096 C CA . GLN E 148 ? 0.0760 0.0744 0.0760 -0.0102 -0.0012 -0.0058 148 GLN E CA 16097 C C . GLN E 148 ? 0.0778 0.0778 0.0780 -0.0098 -0.0014 -0.0052 148 GLN E C 16098 O O . GLN E 148 ? 0.0973 0.0981 0.0984 -0.0095 -0.0014 -0.0045 148 GLN E O 16099 C CB . GLN E 148 ? 0.0780 0.0773 0.0787 -0.0107 -0.0013 -0.0055 148 GLN E CB 16100 C CG . GLN E 148 ? 0.1037 0.1015 0.1043 -0.0112 -0.0010 -0.0059 148 GLN E CG 16101 C CD . GLN E 148 ? 0.0941 0.0929 0.0955 -0.0117 -0.0011 -0.0056 148 GLN E CD 16102 O OE1 . GLN E 148 ? 0.0992 0.0995 0.1008 -0.0123 -0.0014 -0.0056 148 GLN E OE1 16103 N NE2 . GLN E 148 ? 0.1489 0.1471 0.1508 -0.0114 -0.0008 -0.0051 148 GLN E NE2 16112 N N . SER E 149 ? 0.0702 0.0707 0.0698 -0.0099 -0.0016 -0.0056 149 SER E N 16113 C CA . SER E 149 ? 0.0725 0.0747 0.0723 -0.0097 -0.0018 -0.0051 149 SER E CA 16114 C C . SER E 149 ? 0.0649 0.0664 0.0648 -0.0088 -0.0016 -0.0045 149 SER E C 16115 O O . SER E 149 ? 0.0952 0.0951 0.0948 -0.0085 -0.0013 -0.0049 149 SER E O 16116 C CB . SER E 149 ? 0.1055 0.1082 0.1043 -0.0100 -0.0020 -0.0057 149 SER E CB 16117 O OG . SER E 149 ? 0.0918 0.0932 0.0898 -0.0097 -0.0018 -0.0063 149 SER E OG 16123 N N . PHE E 150 ? 0.0802 0.0830 0.0808 -0.0085 -0.0018 -0.0037 150 PHE E N 16124 C CA . PHE E 150 ? 0.0722 0.0747 0.0731 -0.0078 -0.0017 -0.0032 150 PHE E CA 16125 C C . PHE E 150 ? 0.0695 0.0727 0.0698 -0.0077 -0.0018 -0.0032 150 PHE E C 16126 O O . PHE E 150 ? 0.0865 0.0913 0.0868 -0.0080 -0.0021 -0.0030 150 PHE E O 16127 C CB . PHE E 150 ? 0.0787 0.0821 0.0807 -0.0075 -0.0018 -0.0022 150 PHE E CB 16128 C CG . PHE E 150 ? 0.0825 0.0856 0.0848 -0.0068 -0.0018 -0.0017 150 PHE E CG 16129 C CD1 . PHE E 150 ? 0.0908 0.0923 0.0932 -0.0064 -0.0015 -0.0017 150 PHE E CD1 16130 C CD2 . PHE E 150 ? 0.0684 0.0727 0.0709 -0.0067 -0.0020 -0.0011 150 PHE E CD2 16131 C CE1 . PHE E 150 ? 0.0865 0.0876 0.0892 -0.0058 -0.0014 -0.0012 150 PHE E CE1 16132 C CE2 . PHE E 150 ? 0.0845 0.0884 0.0873 -0.0061 -0.0019 -0.0006 150 PHE E CE2 16133 C CZ . PHE E 150 ? 0.0831 0.0854 0.0860 -0.0057 -0.0017 -0.0007 150 PHE E CZ 16143 N N . VAL E 151 ? 0.0678 0.0698 0.0676 -0.0073 -0.0016 -0.0035 151 VAL E N 16144 C CA . VAL E 151 ? 0.0695 0.0721 0.0688 -0.0072 -0.0016 -0.0035 151 VAL E CA 16145 C C . VAL E 151 ? 0.0792 0.0814 0.0790 -0.0065 -0.0015 -0.0028 151 VAL E C 16146 O O . VAL E 151 ? 0.0896 0.0904 0.0896 -0.0062 -0.0013 -0.0029 151 VAL E O 16147 C CB . VAL E 151 ? 0.0775 0.0790 0.0758 -0.0072 -0.0014 -0.0045 151 VAL E CB 16148 C CG1 . VAL E 151 ? 0.0797 0.0820 0.0774 -0.0070 -0.0014 -0.0044 151 VAL E CG1 16149 C CG2 . VAL E 151 ? 0.1186 0.1201 0.1163 -0.0079 -0.0015 -0.0052 151 VAL E CG2 16159 N N . GLY E 152 ? 0.0730 0.0766 0.0732 -0.0064 -0.0018 -0.0021 152 GLY E N 16160 C CA . GLY E 152 ? 0.0856 0.0889 0.0864 -0.0059 -0.0017 -0.0013 152 GLY E CA 16161 C C . GLY E 152 ? 0.0681 0.0728 0.0697 -0.0059 -0.0020 -0.0004 152 GLY E C 16162 O O . GLY E 152 ? 0.0800 0.0863 0.0816 -0.0062 -0.0023 -0.0002 152 GLY E O 16166 N N . GLU E 153 ? 0.0566 0.0609 0.0591 -0.0054 -0.0020 0.0003 153 GLU E N 16167 C CA . GLU E 153 ? 0.0597 0.0652 0.0631 -0.0053 -0.0023 0.0013 153 GLU E CA 16168 C C . GLU E 153 ? 0.0676 0.0727 0.0719 -0.0050 -0.0023 0.0017 153 GLU E C 16169 O O . GLU E 153 ? 0.0743 0.0779 0.0787 -0.0048 -0.0020 0.0014 153 GLU E O 16170 C CB . GLU E 153 ? 0.0662 0.0716 0.0698 -0.0049 -0.0023 0.0019 153 GLU E CB 16171 C CG . GLU E 153 ? 0.0699 0.0756 0.0725 -0.0051 -0.0022 0.0015 153 GLU E CG 16172 C CD . GLU E 153 ? 0.0963 0.1021 0.0992 -0.0048 -0.0022 0.0021 153 GLU E CD 16173 O OE1 . GLU E 153 ? 0.1030 0.1094 0.1067 -0.0047 -0.0024 0.0030 153 GLU E OE1 16174 O OE2 . GLU E 153 ? 0.1074 0.1127 0.1096 -0.0048 -0.0020 0.0016 153 GLU E OE2 16181 N N . ILE E 154 ? 0.0720 0.0784 0.0770 -0.0051 -0.0025 0.0023 154 ILE E N 16182 C CA . ILE E 154 ? 0.0642 0.0705 0.0702 -0.0048 -0.0025 0.0028 154 ILE E CA 16183 C C . ILE E 154 ? 0.0900 0.0974 0.0969 -0.0046 -0.0028 0.0039 154 ILE E C 16184 O O . ILE E 154 ? 0.0937 0.1026 0.1005 -0.0048 -0.0031 0.0043 154 ILE E O 16185 C CB . ILE E 154 ? 0.0905 0.0974 0.0965 -0.0052 -0.0026 0.0025 154 ILE E CB 16186 C CG1 . ILE E 154 ? 0.1276 0.1332 0.1330 -0.0054 -0.0023 0.0015 154 ILE E CG1 16187 C CG2 . ILE E 154 ? 0.1227 0.1300 0.1299 -0.0049 -0.0026 0.0031 154 ILE E CG2 16188 C CD1 . ILE E 154 ? 0.1711 0.1774 0.1764 -0.0060 -0.0023 0.0011 154 ILE E CD1 16200 N N . GLY E 155 ? 0.0850 0.0915 0.0928 -0.0040 -0.0027 0.0043 155 GLY E N 16201 C CA . GLY E 155 ? 0.1126 0.1199 0.1213 -0.0037 -0.0030 0.0054 155 GLY E CA 16202 C C . GLY E 155 ? 0.0721 0.0788 0.0818 -0.0032 -0.0029 0.0057 155 GLY E C 16203 O O . GLY E 155 ? 0.0801 0.0858 0.0898 -0.0031 -0.0026 0.0050 155 GLY E O 16207 N N . ASP E 156 ? 0.0797 0.0870 0.0903 -0.0029 -0.0031 0.0066 156 ASP E N 16208 C CA . ASP E 156 ? 0.0777 0.0844 0.0895 -0.0023 -0.0031 0.0070 156 ASP E CA 16209 C C . ASP E 156 ? 0.0738 0.0806 0.0858 -0.0022 -0.0029 0.0066 156 ASP E C 16210 O O . ASP E 156 ? 0.0730 0.0784 0.0852 -0.0018 -0.0026 0.0062 156 ASP E O 16211 C CB . ASP E 156 ? 0.0823 0.0871 0.0940 -0.0019 -0.0029 0.0068 156 ASP E CB 16212 C CG . ASP E 156 ? 0.1191 0.1238 0.1310 -0.0018 -0.0031 0.0075 156 ASP E CG 16213 O OD1 . ASP E 156 ? 0.1662 0.1723 0.1786 -0.0019 -0.0034 0.0084 156 ASP E OD1 16214 O OD2 . ASP E 156 ? 0.1392 0.1426 0.1508 -0.0017 -0.0030 0.0072 156 ASP E OD2 16219 N N . LEU E 157 ? 0.0601 0.0684 0.0720 -0.0026 -0.0031 0.0066 157 LEU E N 16220 C CA . LEU E 157 ? 0.0556 0.0642 0.0678 -0.0027 -0.0029 0.0062 157 LEU E CA 16221 C C . LEU E 157 ? 0.0678 0.0775 0.0813 -0.0022 -0.0030 0.0070 157 LEU E C 16222 O O . LEU E 157 ? 0.0762 0.0873 0.0902 -0.0022 -0.0034 0.0079 157 LEU E O 16223 C CB . LEU E 157 ? 0.0808 0.0905 0.0922 -0.0034 -0.0030 0.0057 157 LEU E CB 16224 C CG . LEU E 157 ? 0.0703 0.0803 0.0818 -0.0037 -0.0028 0.0052 157 LEU E CG 16225 C CD1 . LEU E 157 ? 0.1140 0.1238 0.1244 -0.0044 -0.0028 0.0044 157 LEU E CD1 16226 C CD2 . LEU E 157 ? 0.1075 0.1194 0.1200 -0.0037 -0.0031 0.0059 157 LEU E CD2 16238 N N . TYR E 158 ? 0.0568 0.0657 0.0707 -0.0019 -0.0027 0.0067 158 TYR E N 16239 C CA . TYR E 158 ? 0.0775 0.0872 0.0927 -0.0013 -0.0027 0.0073 158 TYR E CA 16240 C C . TYR E 158 ? 0.0862 0.0960 0.1015 -0.0014 -0.0025 0.0068 158 TYR E C 16241 O O . TYR E 158 ? 0.0854 0.0939 0.1000 -0.0015 -0.0021 0.0060 158 TYR E O 16242 C CB . TYR E 158 ? 0.0727 0.0811 0.0886 -0.0005 -0.0026 0.0077 158 TYR E CB 16243 C CG . TYR E 158 ? 0.0819 0.0900 0.0978 -0.0004 -0.0029 0.0083 158 TYR E CG 16244 C CD1 . TYR E 158 ? 0.0868 0.0961 0.1036 -0.0001 -0.0032 0.0093 158 TYR E CD1 16245 C CD2 . TYR E 158 ? 0.0675 0.0742 0.0825 -0.0006 -0.0028 0.0079 158 TYR E CD2 16246 C CE1 . TYR E 158 ? 0.1032 0.1123 0.1201 -0.0001 -0.0035 0.0100 158 TYR E CE1 16247 C CE2 . TYR E 158 ? 0.0844 0.0910 0.0995 -0.0006 -0.0031 0.0085 158 TYR E CE2 16248 C CZ . TYR E 158 ? 0.0860 0.0938 0.1019 -0.0004 -0.0034 0.0096 158 TYR E CZ 16249 O OH . TYR E 158 ? 0.1059 0.1135 0.1219 -0.0004 -0.0037 0.0102 158 TYR E OH 16259 N N . MET E 159 ? 0.0794 0.0908 0.0956 -0.0013 -0.0026 0.0073 159 MET E N 16260 C CA . MET E 159 ? 0.0718 0.0835 0.0883 -0.0013 -0.0023 0.0069 159 MET E CA 16261 C C . MET E 159 ? 0.0768 0.0895 0.0947 -0.0006 -0.0023 0.0076 159 MET E C 16262 O O . MET E 159 ? 0.0878 0.1020 0.1064 -0.0005 -0.0026 0.0084 159 MET E O 16263 C CB . MET E 159 ? 0.0821 0.0951 0.0981 -0.0022 -0.0024 0.0066 159 MET E CB 16264 C CG . MET E 159 ? 0.0929 0.1060 0.1091 -0.0023 -0.0020 0.0061 159 MET E CG 16265 S SD . MET E 159 ? 0.1258 0.1403 0.1414 -0.0035 -0.0022 0.0057 159 MET E SD 16266 C CE . MET E 159 ? 0.1412 0.1557 0.1572 -0.0035 -0.0018 0.0052 159 MET E CE 16276 N N . TRP E 160 ? 0.0845 0.0963 0.1029 0.0000 -0.0018 0.0073 160 TRP E N 16277 C CA . TRP E 160 ? 0.0820 0.0944 0.1017 0.0008 -0.0017 0.0078 160 TRP E CA 16278 C C . TRP E 160 ? 0.1064 0.1197 0.1264 0.0007 -0.0014 0.0075 160 TRP E C 16279 O O . TRP E 160 ? 0.1077 0.1203 0.1269 0.0003 -0.0011 0.0067 160 TRP E O 16280 C CB . TRP E 160 ? 0.0905 0.1010 0.1103 0.0017 -0.0015 0.0077 160 TRP E CB 16281 C CG . TRP E 160 ? 0.0870 0.0963 0.1066 0.0018 -0.0017 0.0080 160 TRP E CG 16282 C CD1 . TRP E 160 ? 0.1119 0.1212 0.1324 0.0025 -0.0019 0.0088 160 TRP E CD1 16283 C CD2 . TRP E 160 ? 0.0626 0.0704 0.0811 0.0014 -0.0017 0.0075 160 TRP E CD2 16284 N NE1 . TRP E 160 ? 0.0931 0.1011 0.1131 0.0024 -0.0021 0.0088 160 TRP E NE1 16285 C CE2 . TRP E 160 ? 0.0788 0.0859 0.0976 0.0018 -0.0019 0.0080 160 TRP E CE2 16286 C CE3 . TRP E 160 ? 0.0775 0.0844 0.0947 0.0008 -0.0015 0.0066 160 TRP E CE3 16287 C CZ2 . TRP E 160 ? 0.0839 0.0896 0.1018 0.0016 -0.0020 0.0078 160 TRP E CZ2 16288 C CZ3 . TRP E 160 ? 0.0844 0.0900 0.1008 0.0007 -0.0016 0.0063 160 TRP E CZ3 16289 C CH2 . TRP E 160 ? 0.0717 0.0767 0.0884 0.0010 -0.0018 0.0069 160 TRP E CH2 16300 N N . ASP E 161 ? 0.1052 0.1201 0.1264 0.0012 -0.0014 0.0081 161 ASP E N 16301 C CA . ASP E 161 ? 0.1025 0.1184 0.1243 0.0011 -0.0011 0.0079 161 ASP E CA 16302 C C . ASP E 161 ? 0.1250 0.1398 0.1471 0.0020 -0.0006 0.0076 161 ASP E C 16303 O O . ASP E 161 ? 0.1430 0.1590 0.1661 0.0024 -0.0003 0.0078 161 ASP E O 16304 C CB . ASP E 161 ? 0.1303 0.1488 0.1533 0.0011 -0.0014 0.0087 161 ASP E CB 16305 C CG . ASP E 161 ? 0.1687 0.1875 0.1930 0.0022 -0.0015 0.0095 161 ASP E CG 16306 O OD1 . ASP E 161 ? 0.1660 0.1832 0.1903 0.0029 -0.0014 0.0095 161 ASP E OD1 16307 O OD2 . ASP E 161 ? 0.2667 0.2876 0.2921 0.0023 -0.0016 0.0101 161 ASP E OD2 16312 N N . SER E 162 ? 0.1062 0.1188 0.1277 0.0023 -0.0004 0.0071 162 SER E N 16313 C CA . SER E 162 ? 0.1181 0.1295 0.1397 0.0031 0.0001 0.0067 162 SER E CA 16314 C C . SER E 162 ? 0.1127 0.1220 0.1329 0.0028 0.0003 0.0059 162 SER E C 16315 O O . SER E 162 ? 0.1102 0.1189 0.1295 0.0021 0.0000 0.0057 162 SER E O 16316 C CB . SER E 162 ? 0.1524 0.1633 0.1750 0.0041 0.0001 0.0072 162 SER E CB 16317 O OG . SER E 162 ? 0.1783 0.1880 0.2004 0.0041 -0.0003 0.0074 162 SER E OG 16323 N N . VAL E 163 ? 0.1132 0.1213 0.1332 0.0033 0.0008 0.0053 163 VAL E N 16324 C CA . VAL E 163 ? 0.0971 0.1032 0.1159 0.0032 0.0010 0.0045 163 VAL E CA 16325 C C . VAL E 163 ? 0.1148 0.1193 0.1337 0.0038 0.0009 0.0046 163 VAL E C 16326 O O . VAL E 163 ? 0.1622 0.1664 0.1819 0.0047 0.0011 0.0046 163 VAL E O 16327 C CB . VAL E 163 ? 0.1134 0.1191 0.1319 0.0034 0.0015 0.0039 163 VAL E CB 16328 C CG1 . VAL E 163 ? 0.1363 0.1401 0.1536 0.0033 0.0017 0.0032 163 VAL E CG1 16329 C CG2 . VAL E 163 ? 0.1630 0.1703 0.1815 0.0027 0.0017 0.0039 163 VAL E CG2 16339 N N . LEU E 164 ? 0.1127 0.1164 0.1310 0.0034 0.0005 0.0046 164 LEU E N 16340 C CA . LEU E 164 ? 0.1091 0.1112 0.1274 0.0040 0.0004 0.0046 164 LEU E CA 16341 C C . LEU E 164 ? 0.0943 0.0947 0.1120 0.0043 0.0007 0.0039 164 LEU E C 16342 O O . LEU E 164 ? 0.1244 0.1242 0.1410 0.0039 0.0010 0.0032 164 LEU E O 16343 C CB . LEU E 164 ? 0.1424 0.1441 0.1601 0.0034 0.0000 0.0048 164 LEU E CB 16344 C CG . LEU E 164 ? 0.2144 0.2176 0.2325 0.0030 -0.0005 0.0056 164 LEU E CG 16345 C CD1 . LEU E 164 ? 0.1903 0.1929 0.2078 0.0025 -0.0008 0.0058 164 LEU E CD1 16346 C CD2 . LEU E 164 ? 0.2068 0.2110 0.2263 0.0037 -0.0006 0.0064 164 LEU E CD2 16358 N N . PRO E 165 ? 0.1128 0.1123 0.1312 0.0052 0.0008 0.0039 165 PRO E N 16359 C CA . PRO E 165 ? 0.1234 0.1211 0.1411 0.0055 0.0011 0.0031 165 PRO E CA 16360 C C . PRO E 165 ? 0.1005 0.0968 0.1173 0.0051 0.0008 0.0029 165 PRO E C 16361 O O . PRO E 165 ? 0.1088 0.1054 0.1257 0.0047 0.0004 0.0034 165 PRO E O 16362 C CB . PRO E 165 ? 0.1395 0.1366 0.1582 0.0065 0.0011 0.0033 165 PRO E CB 16363 C CG . PRO E 165 ? 0.1685 0.1666 0.1882 0.0065 0.0007 0.0042 165 PRO E CG 16364 C CD . PRO E 165 ? 0.1473 0.1473 0.1669 0.0058 0.0006 0.0046 165 PRO E CD 16372 N N . PRO E 166 ? 0.1218 0.1165 0.1378 0.0052 0.0010 0.0021 166 PRO E N 16373 C CA . PRO E 166 ? 0.1175 0.1110 0.1326 0.0048 0.0008 0.0019 166 PRO E CA 16374 C C . PRO E 166 ? 0.1125 0.1055 0.1281 0.0048 0.0003 0.0025 166 PRO E C 16375 O O . PRO E 166 ? 0.1290 0.1220 0.1442 0.0042 0.0000 0.0027 166 PRO E O 16376 C CB . PRO E 166 ? 0.1357 0.1278 0.1502 0.0051 0.0011 0.0011 166 PRO E CB 16377 C CG . PRO E 166 ? 0.1344 0.1274 0.1489 0.0053 0.0015 0.0008 166 PRO E CG 16378 C CD . PRO E 166 ? 0.1311 0.1254 0.1468 0.0057 0.0015 0.0015 166 PRO E CD 16386 N N . GLU E 167 ? 0.1132 0.1059 0.1299 0.0055 0.0003 0.0028 167 GLU E N 16387 C CA . GLU E 167 ? 0.1397 0.1319 0.1569 0.0055 -0.0001 0.0033 167 GLU E CA 16388 C C . GLU E 167 ? 0.1168 0.1104 0.1343 0.0050 -0.0005 0.0042 167 GLU E C 16389 O O . GLU E 167 ? 0.1228 0.1161 0.1402 0.0047 -0.0008 0.0046 167 GLU E O 16390 C CB . GLU E 167 ? 0.1696 0.1611 0.1879 0.0064 -0.0001 0.0035 167 GLU E CB 16391 C CG . GLU E 167 ? 0.2281 0.2208 0.2473 0.0070 0.0000 0.0039 167 GLU E CG 16392 C CD . GLU E 167 ? 0.3162 0.3091 0.3354 0.0074 0.0006 0.0032 167 GLU E CD 16393 O OE1 . GLU E 167 ? 0.3983 0.3919 0.4185 0.0081 0.0007 0.0035 167 GLU E OE1 16394 O OE2 . GLU E 167 ? 0.2152 0.2076 0.2333 0.0072 0.0009 0.0023 167 GLU E OE2 16401 N N . ASN E 168 ? 0.1132 0.1085 0.1311 0.0050 -0.0004 0.0045 168 ASN E N 16402 C CA . ASN E 168 ? 0.0951 0.0919 0.1132 0.0045 -0.0007 0.0053 168 ASN E CA 16403 C C . ASN E 168 ? 0.1205 0.1175 0.1374 0.0036 -0.0008 0.0050 168 ASN E C 16404 O O . ASN E 168 ? 0.1128 0.1106 0.1297 0.0031 -0.0011 0.0055 168 ASN E O 16405 C CB . ASN E 168 ? 0.1107 0.1094 0.1296 0.0047 -0.0006 0.0057 168 ASN E CB 16406 C CG . ASN E 168 ? 0.1485 0.1473 0.1688 0.0056 -0.0006 0.0062 168 ASN E CG 16407 O OD1 . ASN E 168 ? 0.1907 0.1908 0.2116 0.0059 -0.0004 0.0064 168 ASN E OD1 16408 N ND2 . ASN E 168 ? 0.1868 0.1843 0.2075 0.0060 -0.0008 0.0064 168 ASN E ND2 16415 N N A ILE E 169 ? 0.1058 0.1022 0.1218 0.0034 -0.0005 0.0042 169 ILE E N 16416 N N B ILE E 169 ? 0.1000 0.0965 0.1160 0.0034 -0.0005 0.0042 169 ILE E N 16417 C CA A ILE E 169 ? 0.0767 0.0731 0.0916 0.0026 -0.0005 0.0038 169 ILE E CA 16418 C CA B ILE E 169 ? 0.1005 0.0970 0.1154 0.0027 -0.0005 0.0038 169 ILE E CA 16419 C C A ILE E 169 ? 0.1019 0.0971 0.1164 0.0025 -0.0007 0.0038 169 ILE E C 16420 C C B ILE E 169 ? 0.0836 0.0789 0.0981 0.0025 -0.0007 0.0038 169 ILE E C 16421 O O A ILE E 169 ? 0.0935 0.0891 0.1075 0.0019 -0.0010 0.0040 169 ILE E O 16422 O O B ILE E 169 ? 0.1072 0.1030 0.1214 0.0020 -0.0010 0.0041 169 ILE E O 16423 C CB A ILE E 169 ? 0.1082 0.1043 0.1223 0.0025 -0.0001 0.0030 169 ILE E CB 16424 C CB B ILE E 169 ? 0.1019 0.0977 0.1159 0.0026 -0.0001 0.0029 169 ILE E CB 16425 C CG1 A ILE E 169 ? 0.1184 0.1160 0.1330 0.0025 0.0001 0.0031 169 ILE E CG1 16426 C CG1 B ILE E 169 ? 0.1265 0.1236 0.1408 0.0026 0.0002 0.0029 169 ILE E CG1 16427 C CG2 A ILE E 169 ? 0.0988 0.0946 0.1117 0.0018 -0.0001 0.0026 169 ILE E CG2 16428 C CG2 B ILE E 169 ? 0.0920 0.0872 0.1049 0.0020 -0.0001 0.0025 169 ILE E CG2 16429 C CD1 A ILE E 169 ? 0.1578 0.1549 0.1718 0.0025 0.0005 0.0024 169 ILE E CD1 16430 C CD1 B ILE E 169 ? 0.1369 0.1355 0.1511 0.0018 0.0000 0.0032 169 ILE E CD1 16453 N N A LEU E 170 ? 0.0954 0.0892 0.1100 0.0030 -0.0007 0.0035 170 LEU E N 16454 N N B LEU E 170 ? 0.1211 0.1149 0.1357 0.0030 -0.0007 0.0035 170 LEU E N 16455 C CA A LEU E 170 ? 0.1245 0.1171 0.1388 0.0028 -0.0009 0.0035 170 LEU E CA 16456 C CA B LEU E 170 ? 0.1157 0.1084 0.1300 0.0028 -0.0009 0.0035 170 LEU E CA 16457 C C A LEU E 170 ? 0.1127 0.1060 0.1278 0.0027 -0.0013 0.0045 170 LEU E C 16458 C C B LEU E 170 ? 0.1161 0.1095 0.1312 0.0027 -0.0013 0.0045 170 LEU E C 16459 O O A LEU E 170 ? 0.1261 0.1193 0.1408 0.0023 -0.0015 0.0047 170 LEU E O 16460 O O B LEU E 170 ? 0.1245 0.1177 0.1392 0.0023 -0.0015 0.0047 170 LEU E O 16461 C CB A LEU E 170 ? 0.1577 0.1487 0.1721 0.0033 -0.0008 0.0030 170 LEU E CB 16462 C CB B LEU E 170 ? 0.1649 0.1559 0.1793 0.0033 -0.0008 0.0030 170 LEU E CB 16463 C CG A LEU E 170 ? 0.2073 0.1977 0.2208 0.0033 -0.0004 0.0021 170 LEU E CG 16464 C CG B LEU E 170 ? 0.2305 0.2206 0.2438 0.0031 -0.0006 0.0021 170 LEU E CG 16465 C CD1 A LEU E 170 ? 0.2991 0.2879 0.3125 0.0038 -0.0004 0.0016 170 LEU E CD1 16466 C CD1 B LEU E 170 ? 0.2491 0.2400 0.2620 0.0031 -0.0002 0.0017 170 LEU E CD1 16467 C CD2 A LEU E 170 ? 0.2455 0.2360 0.2579 0.0027 -0.0004 0.0018 170 LEU E CD2 16468 C CD2 B LEU E 170 ? 0.2590 0.2476 0.2724 0.0036 -0.0005 0.0017 170 LEU E CD2 16491 N N . SER E 171 ? 0.1135 0.1076 0.1296 0.0031 -0.0014 0.0051 171 SER E N 16492 C CA . SER E 171 ? 0.1231 0.1180 0.1400 0.0031 -0.0018 0.0061 171 SER E CA 16493 C C . SER E 171 ? 0.1096 0.1059 0.1259 0.0024 -0.0019 0.0064 171 SER E C 16494 O O . SER E 171 ? 0.1387 0.1353 0.1549 0.0020 -0.0022 0.0069 171 SER E O 16495 C CB . SER E 171 ? 0.1621 0.1576 0.1802 0.0037 -0.0018 0.0067 171 SER E CB 16496 O OG . SER E 171 ? 0.1895 0.1835 0.2081 0.0043 -0.0017 0.0066 171 SER E OG 16503 N N . ALA E 172 ? 0.1093 0.1066 0.1252 0.0021 -0.0017 0.0061 172 ALA E N 16504 C CA . ALA E 172 ? 0.1017 0.1003 0.1169 0.0014 -0.0019 0.0062 172 ALA E CA 16505 C C . ALA E 172 ? 0.1052 0.1029 0.1194 0.0009 -0.0019 0.0057 172 ALA E C 16506 O O . ALA E 172 ? 0.1183 0.1167 0.1322 0.0005 -0.0021 0.0061 172 ALA E O 16507 C CB . ALA E 172 ? 0.1135 0.1131 0.1284 0.0012 -0.0017 0.0058 172 ALA E CB 16513 N N . TYR E 173 ? 0.1138 0.1101 0.1274 0.0010 -0.0016 0.0049 173 TYR E N 16514 C CA . TYR E 173 ? 0.1130 0.1086 0.1256 0.0007 -0.0016 0.0044 173 TYR E CA 16515 C C . TYR E 173 ? 0.0979 0.0930 0.1108 0.0006 -0.0019 0.0049 173 TYR E C 16516 O O . TYR E 173 ? 0.1238 0.1193 0.1361 0.0002 -0.0020 0.0050 173 TYR E O 16517 C CB . TYR E 173 ? 0.0991 0.0933 0.1112 0.0009 -0.0013 0.0036 173 TYR E CB 16518 C CG . TYR E 173 ? 0.1110 0.1042 0.1222 0.0006 -0.0013 0.0031 173 TYR E CG 16519 C CD1 . TYR E 173 ? 0.1161 0.1099 0.1266 0.0001 -0.0013 0.0030 173 TYR E CD1 16520 C CD2 . TYR E 173 ? 0.1399 0.1316 0.1510 0.0009 -0.0012 0.0027 173 TYR E CD2 16521 C CE1 . TYR E 173 ? 0.1424 0.1354 0.1521 -0.0001 -0.0013 0.0026 173 TYR E CE1 16522 C CE2 . TYR E 173 ? 0.1654 0.1564 0.1757 0.0007 -0.0012 0.0022 173 TYR E CE2 16523 C CZ . TYR E 173 ? 0.1434 0.1350 0.1531 0.0002 -0.0013 0.0022 173 TYR E CZ 16524 O OH . TYR E 173 ? 0.2264 0.2173 0.2354 0.0000 -0.0013 0.0018 173 TYR E OH 16534 N N . GLN E 174 ? 0.1226 0.1168 0.1362 0.0011 -0.0020 0.0053 174 GLN E N 16535 C CA . GLN E 174 ? 0.1426 0.1362 0.1565 0.0010 -0.0022 0.0056 174 GLN E CA 16536 C C . GLN E 174 ? 0.2335 0.2270 0.2486 0.0014 -0.0025 0.0065 174 GLN E C 16537 O O . GLN E 174 ? 0.2621 0.2549 0.2775 0.0014 -0.0027 0.0069 174 GLN E O 16538 C CB . GLN E 174 ? 0.1955 0.1874 0.2089 0.0011 -0.0021 0.0049 174 GLN E CB 16539 C CG . GLN E 174 ? 0.3343 0.3262 0.3466 0.0007 -0.0020 0.0043 174 GLN E CG 16540 C CD . GLN E 174 ? 0.4767 0.4671 0.4886 0.0008 -0.0019 0.0036 174 GLN E CD 16541 O OE1 . GLN E 174 ? 0.4082 0.3975 0.4203 0.0012 -0.0018 0.0033 174 GLN E OE1 16542 N NE2 . GLN E 174 ? 0.5005 0.4907 0.5116 0.0004 -0.0019 0.0033 174 GLN E NE2 16551 N N . GLY E 175 ? 0.1912 0.1853 0.2070 0.0018 -0.0024 0.0068 175 GLY E N 16552 C CA . GLY E 175 ? 0.1956 0.1897 0.2125 0.0022 -0.0027 0.0077 175 GLY E CA 16553 C C . GLY E 175 ? 0.2346 0.2306 0.2520 0.0021 -0.0028 0.0085 175 GLY E C 16554 O O . GLY E 175 ? 0.1994 0.1967 0.2162 0.0015 -0.0029 0.0087 175 GLY E O 16558 N N . THR E 176 ? 0.1736 0.1700 0.1921 0.0026 -0.0029 0.0091 176 THR E N 16559 C CA . THR E 176 ? 0.1365 0.1348 0.1554 0.0026 -0.0031 0.0099 176 THR E CA 16560 C C . THR E 176 ? 0.1465 0.1457 0.1653 0.0027 -0.0028 0.0094 176 THR E C 16561 O O . THR E 176 ? 0.1493 0.1479 0.1687 0.0033 -0.0026 0.0092 176 THR E O 16562 C CB . THR E 176 ? 0.1747 0.1730 0.1949 0.0031 -0.0033 0.0110 176 THR E CB 16563 O OG1 . THR E 176 ? 0.2043 0.2015 0.2247 0.0030 -0.0036 0.0114 176 THR E OG1 16564 C CG2 . THR E 176 ? 0.2652 0.2656 0.2859 0.0030 -0.0036 0.0120 176 THR E CG2 16572 N N . PRO E 177 ? 0.1037 0.1043 0.1218 0.0021 -0.0028 0.0093 177 PRO E N 16573 C CA . PRO E 177 ? 0.0882 0.0898 0.1064 0.0022 -0.0026 0.0089 177 PRO E CA 16574 C C . PRO E 177 ? 0.1085 0.1111 0.1280 0.0028 -0.0027 0.0097 177 PRO E C 16575 O O . PRO E 177 ? 0.1258 0.1292 0.1460 0.0028 -0.0031 0.0107 177 PRO E O 16576 C CB . PRO E 177 ? 0.1235 0.1266 0.1408 0.0014 -0.0027 0.0088 177 PRO E CB 16577 C CG . PRO E 177 ? 0.1997 0.2030 0.2167 0.0010 -0.0030 0.0094 177 PRO E CG 16578 C CD . PRO E 177 ? 0.1336 0.1351 0.1509 0.0014 -0.0030 0.0094 177 PRO E CD 16586 N N . LEU E 178 ? 0.1097 0.1124 0.1296 0.0032 -0.0025 0.0094 178 LEU E N 16587 C CA . LEU E 178 ? 0.1118 0.1158 0.1329 0.0037 -0.0025 0.0101 178 LEU E CA 16588 C C . LEU E 178 ? 0.1360 0.1422 0.1570 0.0032 -0.0028 0.0106 178 LEU E C 16589 O O . LEU E 178 ? 0.1238 0.1306 0.1439 0.0025 -0.0027 0.0100 178 LEU E O 16590 C CB . LEU E 178 ? 0.1518 0.1556 0.1732 0.0042 -0.0021 0.0095 178 LEU E CB 16591 C CG . LEU E 178 ? 0.2450 0.2469 0.2668 0.0050 -0.0019 0.0091 178 LEU E CG 16592 C CD1 . LEU E 178 ? 0.3375 0.3398 0.3597 0.0055 -0.0015 0.0086 178 LEU E CD1 16593 C CD2 . LEU E 178 ? 0.3626 0.3642 0.3856 0.0056 -0.0022 0.0101 178 LEU E CD2 16605 N N . PRO E 179 ? 0.1069 0.1144 0.1289 0.0034 -0.0032 0.0117 179 PRO E N 16606 C CA . PRO E 179 ? 0.0824 0.0921 0.1043 0.0029 -0.0034 0.0122 179 PRO E CA 16607 C C . PRO E 179 ? 0.0854 0.0962 0.1073 0.0027 -0.0032 0.0116 179 PRO E C 16608 O O . PRO E 179 ? 0.1158 0.1261 0.1382 0.0033 -0.0029 0.0113 179 PRO E O 16609 C CB . PRO E 179 ? 0.1445 0.1554 0.1678 0.0034 -0.0038 0.0134 179 PRO E CB 16610 C CG . PRO E 179 ? 0.1506 0.1595 0.1742 0.0039 -0.0038 0.0137 179 PRO E CG 16611 C CD . PRO E 179 ? 0.1442 0.1511 0.1673 0.0041 -0.0033 0.0126 179 PRO E CD 16619 N N . ALA E 180 ? 0.0936 0.1057 0.1146 0.0019 -0.0033 0.0113 180 ALA E N 16620 C CA . ALA E 180 ? 0.0831 0.0960 0.1039 0.0015 -0.0031 0.0106 180 ALA E CA 16621 C C . ALA E 180 ? 0.1095 0.1248 0.1308 0.0012 -0.0034 0.0113 180 ALA E C 16622 O O . ALA E 180 ? 0.1503 0.1670 0.1717 0.0009 -0.0038 0.0120 180 ALA E O 16623 C CB . ALA E 180 ? 0.1154 0.1274 0.1346 0.0007 -0.0030 0.0097 180 ALA E CB 16629 N N . ASN E 181 ? 0.1124 0.1285 0.1342 0.0013 -0.0032 0.0110 181 ASN E N 16630 C CA . ASN E 181 ? 0.1164 0.1350 0.1390 0.0012 -0.0035 0.0116 181 ASN E CA 16631 C C . ASN E 181 ? 0.1423 0.1623 0.1642 0.0002 -0.0036 0.0111 181 ASN E C 16632 O O . ASN E 181 ? 0.2150 0.2372 0.2375 -0.0001 -0.0039 0.0117 181 ASN E O 16633 C CB . ASN E 181 ? 0.1092 0.1282 0.1332 0.0021 -0.0032 0.0119 181 ASN E CB 16634 C CG . ASN E 181 ? 0.1735 0.1916 0.1973 0.0022 -0.0027 0.0110 181 ASN E CG 16635 O OD1 . ASN E 181 ? 0.1278 0.1448 0.1504 0.0016 -0.0025 0.0101 181 ASN E OD1 16636 N ND2 . ASN E 181 ? 0.2089 0.2275 0.2339 0.0029 -0.0024 0.0113 181 ASN E ND2 16643 N N . ILE E 182 ? 0.0991 0.1179 0.1198 -0.0005 -0.0033 0.0101 182 ILE E N 16644 C CA . ILE E 182 ? 0.1150 0.1349 0.1349 -0.0015 -0.0035 0.0097 182 ILE E CA 16645 C C . ILE E 182 ? 0.1044 0.1243 0.1232 -0.0021 -0.0038 0.0096 182 ILE E C 16646 O O . ILE E 182 ? 0.1331 0.1547 0.1517 -0.0027 -0.0042 0.0098 182 ILE E O 16647 C CB . ILE E 182 ? 0.1293 0.1482 0.1486 -0.0018 -0.0030 0.0086 182 ILE E CB 16648 C CG1 . ILE E 182 ? 0.1224 0.1416 0.1428 -0.0012 -0.0027 0.0088 182 ILE E CG1 16649 C CG2 . ILE E 182 ? 0.1655 0.1855 0.1841 -0.0029 -0.0032 0.0082 182 ILE E CG2 16650 C CD1 . ILE E 182 ? 0.1485 0.1666 0.1683 -0.0014 -0.0022 0.0078 182 ILE E CD1 16662 N N . LEU E 183 ? 0.0898 0.1076 0.1077 -0.0020 -0.0036 0.0092 183 LEU E N 16663 C CA . LEU E 183 ? 0.0813 0.0989 0.0983 -0.0024 -0.0039 0.0091 183 LEU E CA 16664 C C . LEU E 183 ? 0.0857 0.1018 0.1028 -0.0018 -0.0038 0.0094 183 LEU E C 16665 O O . LEU E 183 ? 0.0882 0.1026 0.1054 -0.0013 -0.0034 0.0091 183 LEU E O 16666 C CB . LEU E 183 ? 0.0854 0.1020 0.1009 -0.0032 -0.0037 0.0080 183 LEU E CB 16667 C CG . LEU E 183 ? 0.0998 0.1176 0.1151 -0.0039 -0.0037 0.0075 183 LEU E CG 16668 C CD1 . LEU E 183 ? 0.1011 0.1175 0.1152 -0.0045 -0.0034 0.0064 183 LEU E CD1 16669 C CD2 . LEU E 183 ? 0.1198 0.1398 0.1350 -0.0045 -0.0043 0.0080 183 LEU E CD2 16681 N N . ASP E 184 ? 0.0832 0.0999 0.1002 -0.0018 -0.0042 0.0101 184 ASP E N 16682 C CA . ASP E 184 ? 0.0763 0.0917 0.0935 -0.0013 -0.0041 0.0106 184 ASP E CA 16683 C C . ASP E 184 ? 0.0865 0.1021 0.1027 -0.0018 -0.0044 0.0108 184 ASP E C 16684 O O . ASP E 184 ? 0.0904 0.1079 0.1066 -0.0022 -0.0048 0.0113 184 ASP E O 16685 C CB . ASP E 184 ? 0.0867 0.1027 0.1053 -0.0006 -0.0043 0.0117 184 ASP E CB 16686 C CG . ASP E 184 ? 0.1221 0.1366 0.1411 0.0000 -0.0043 0.0122 184 ASP E CG 16687 O OD1 . ASP E 184 ? 0.1343 0.1475 0.1541 0.0007 -0.0041 0.0121 184 ASP E OD1 16688 O OD2 . ASP E 184 ? 0.1416 0.1561 0.1602 -0.0002 -0.0045 0.0126 184 ASP E OD2 16693 N N . TRP E 185 ? 0.0805 0.0944 0.0961 -0.0018 -0.0042 0.0103 185 TRP E N 16694 C CA . TRP E 185 ? 0.0813 0.0952 0.0959 -0.0022 -0.0043 0.0103 185 TRP E CA 16695 C C . TRP E 185 ? 0.0789 0.0941 0.0941 -0.0021 -0.0047 0.0115 185 TRP E C 16696 O O . TRP E 185 ? 0.0877 0.1037 0.1021 -0.0026 -0.0049 0.0117 185 TRP E O 16697 C CB . TRP E 185 ? 0.0721 0.0839 0.0861 -0.0021 -0.0040 0.0096 185 TRP E CB 16698 C CG . TRP E 185 ? 0.0711 0.0828 0.0839 -0.0027 -0.0040 0.0092 185 TRP E CG 16699 C CD1 . TRP E 185 ? 0.0751 0.0864 0.0877 -0.0027 -0.0041 0.0095 185 TRP E CD1 16700 C CD2 . TRP E 185 ? 0.0763 0.0885 0.0880 -0.0033 -0.0040 0.0083 185 TRP E CD2 16701 N NE1 . TRP E 185 ? 0.0835 0.0948 0.0948 -0.0032 -0.0040 0.0088 185 TRP E NE1 16702 C CE2 . TRP E 185 ? 0.0795 0.0915 0.0904 -0.0036 -0.0039 0.0081 185 TRP E CE2 16703 C CE3 . TRP E 185 ? 0.0786 0.0914 0.0901 -0.0037 -0.0039 0.0077 185 TRP E CE3 16704 C CZ2 . TRP E 185 ? 0.0783 0.0904 0.0879 -0.0042 -0.0039 0.0072 185 TRP E CZ2 16705 C CZ3 . TRP E 185 ? 0.0894 0.1023 0.0997 -0.0043 -0.0038 0.0068 185 TRP E CZ3 16706 C CH2 . TRP E 185 ? 0.0885 0.1011 0.0979 -0.0045 -0.0038 0.0066 185 TRP E CH2 16717 N N . GLN E 186 ? 0.0830 0.0980 0.0995 -0.0014 -0.0048 0.0124 186 GLN E N 16718 C CA . GLN E 186 ? 0.0758 0.0919 0.0929 -0.0012 -0.0052 0.0137 186 GLN E CA 16719 C C . GLN E 186 ? 0.0996 0.1182 0.1171 -0.0014 -0.0056 0.0144 186 GLN E C 16720 O O . GLN E 186 ? 0.1173 0.1372 0.1352 -0.0014 -0.0059 0.0155 186 GLN E O 16721 C CB . GLN E 186 ? 0.0838 0.0986 0.1022 -0.0004 -0.0051 0.0144 186 GLN E CB 16722 C CG . GLN E 186 ? 0.0837 0.0965 0.1018 -0.0003 -0.0050 0.0142 186 GLN E CG 16723 C CD . GLN E 186 ? 0.0931 0.1042 0.1104 -0.0004 -0.0046 0.0129 186 GLN E CD 16724 O OE1 . GLN E 186 ? 0.0939 0.1042 0.1115 0.0000 -0.0043 0.0124 186 GLN E OE1 16725 N NE2 . GLN E 186 ? 0.1070 0.1176 0.1232 -0.0008 -0.0045 0.0124 186 GLN E NE2 16734 N N . ALA E 187 ? 0.1003 0.1197 0.1177 -0.0017 -0.0055 0.0138 187 ALA E N 16735 C CA . ALA E 187 ? 0.0777 0.0996 0.0954 -0.0019 -0.0059 0.0144 187 ALA E CA 16736 C C . ALA E 187 ? 0.1033 0.1258 0.1203 -0.0026 -0.0058 0.0133 187 ALA E C 16737 O O . ALA E 187 ? 0.1163 0.1395 0.1340 -0.0025 -0.0058 0.0132 187 ALA E O 16738 C CB . ALA E 187 ? 0.1285 0.1508 0.1477 -0.0012 -0.0060 0.0152 187 ALA E CB 16744 N N . LEU E 188 ? 0.1108 0.1330 0.1264 -0.0032 -0.0057 0.0125 188 LEU E N 16745 C CA . LEU E 188 ? 0.0892 0.1115 0.1040 -0.0039 -0.0056 0.0114 188 LEU E CA 16746 C C . LEU E 188 ? 0.0768 0.1014 0.0911 -0.0046 -0.0060 0.0115 188 LEU E C 16747 O O . LEU E 188 ? 0.1103 0.1358 0.1240 -0.0048 -0.0063 0.0119 188 LEU E O 16748 C CB . LEU E 188 ? 0.1039 0.1243 0.1174 -0.0041 -0.0053 0.0104 188 LEU E CB 16749 C CG . LEU E 188 ? 0.1019 0.1218 0.1148 -0.0047 -0.0050 0.0091 188 LEU E CG 16750 C CD1 . LEU E 188 ? 0.1390 0.1578 0.1526 -0.0042 -0.0047 0.0088 188 LEU E CD1 16751 C CD2 . LEU E 188 ? 0.1225 0.1409 0.1340 -0.0050 -0.0048 0.0082 188 LEU E CD2 16763 N N A ASN E 189 ? 0.0943 0.1199 0.1088 -0.0049 -0.0061 0.0111 189 ASN E N 16764 N N B ASN E 189 ? 0.0983 0.1239 0.1128 -0.0049 -0.0061 0.0111 189 ASN E N 16765 C CA A ASN E 189 ? 0.0999 0.1276 0.1138 -0.0057 -0.0065 0.0109 189 ASN E CA 16766 C CA B ASN E 189 ? 0.0956 0.1232 0.1094 -0.0057 -0.0065 0.0109 189 ASN E CA 16767 C C A ASN E 189 ? 0.1043 0.1309 0.1169 -0.0064 -0.0062 0.0095 189 ASN E C 16768 C C B ASN E 189 ? 0.1064 0.1331 0.1190 -0.0064 -0.0062 0.0095 189 ASN E C 16769 O O A ASN E 189 ? 0.1153 0.1410 0.1280 -0.0065 -0.0059 0.0088 189 ASN E O 16770 O O B ASN E 189 ? 0.1135 0.1392 0.1263 -0.0065 -0.0059 0.0088 189 ASN E O 16771 C CB A ASN E 189 ? 0.1236 0.1530 0.1386 -0.0057 -0.0067 0.0113 189 ASN E CB 16772 C CB B ASN E 189 ? 0.1129 0.1425 0.1278 -0.0057 -0.0068 0.0114 189 ASN E CB 16773 C CG A ASN E 189 ? 0.1378 0.1697 0.1525 -0.0064 -0.0072 0.0115 189 ASN E CG 16774 C CG B ASN E 189 ? 0.1463 0.1773 0.1624 -0.0051 -0.0071 0.0129 189 ASN E CG 16775 O OD1 A ASN E 189 ? 0.1866 0.2190 0.2002 -0.0069 -0.0074 0.0114 189 ASN E OD1 16776 O OD1 B ASN E 189 ? 0.1869 0.2187 0.2026 -0.0052 -0.0074 0.0135 189 ASN E OD1 16777 N ND2 A ASN E 189 ? 0.1709 0.2044 0.1865 -0.0066 -0.0074 0.0118 189 ASN E ND2 16778 N ND2 B ASN E 189 ? 0.3212 0.3524 0.3387 -0.0045 -0.0070 0.0135 189 ASN E ND2 16791 N N . TYR E 190 ? 0.1228 0.1497 0.1342 -0.0069 -0.0064 0.0091 190 TYR E N 16792 C CA . TYR E 190 ? 0.1148 0.1405 0.1249 -0.0075 -0.0061 0.0077 190 TYR E CA 16793 C C . TYR E 190 ? 0.1291 0.1564 0.1381 -0.0083 -0.0065 0.0073 190 TYR E C 16794 O O . TYR E 190 ? 0.1438 0.1729 0.1529 -0.0083 -0.0069 0.0081 190 TYR E O 16795 C CB . TYR E 190 ? 0.1388 0.1623 0.1483 -0.0072 -0.0057 0.0073 190 TYR E CB 16796 C CG . TYR E 190 ? 0.1123 0.1362 0.1215 -0.0070 -0.0058 0.0079 190 TYR E CG 16797 C CD1 . TYR E 190 ? 0.1176 0.1419 0.1254 -0.0075 -0.0059 0.0073 190 TYR E CD1 16798 C CD2 . TYR E 190 ? 0.1326 0.1565 0.1427 -0.0063 -0.0059 0.0091 190 TYR E CD2 16799 C CE1 . TYR E 190 ? 0.1332 0.1581 0.1406 -0.0074 -0.0060 0.0080 190 TYR E CE1 16800 C CE2 . TYR E 190 ? 0.1501 0.1744 0.1599 -0.0062 -0.0060 0.0097 190 TYR E CE2 16801 C CZ . TYR E 190 ? 0.1579 0.1828 0.1663 -0.0068 -0.0061 0.0092 190 TYR E CZ 16802 O OH . TYR E 190 ? 0.1966 0.2222 0.2048 -0.0067 -0.0062 0.0098 190 TYR E OH 16813 N N . GLU E 191 ? 0.1061 0.1327 0.1142 -0.0089 -0.0063 0.0061 191 GLU E N 16814 C CA . GLU E 191 ? 0.1174 0.1450 0.1242 -0.0097 -0.0066 0.0054 191 GLU E CA 16815 C C . GLU E 191 ? 0.1188 0.1445 0.1244 -0.0098 -0.0062 0.0043 191 GLU E C 16816 O O . GLU E 191 ? 0.1230 0.1470 0.1285 -0.0099 -0.0059 0.0035 191 GLU E O 16817 C CB . GLU E 191 ? 0.1387 0.1676 0.1456 -0.0104 -0.0069 0.0049 191 GLU E CB 16818 C CG . GLU E 191 ? 0.1876 0.2186 0.1957 -0.0103 -0.0073 0.0060 191 GLU E CG 16819 C CD . GLU E 191 ? 0.2217 0.2538 0.2301 -0.0111 -0.0075 0.0056 191 GLU E CD 16820 O OE1 . GLU E 191 ? 0.1957 0.2265 0.2036 -0.0115 -0.0073 0.0045 191 GLU E OE1 16821 O OE2 . GLU E 191 ? 0.2714 0.3058 0.2805 -0.0112 -0.0080 0.0064 191 GLU E OE2 16828 N N . ILE E 192 ? 0.1042 0.1301 0.1089 -0.0098 -0.0062 0.0042 192 ILE E N 16829 C CA . ILE E 192 ? 0.0934 0.1177 0.0969 -0.0100 -0.0059 0.0031 192 ILE E CA 16830 C C . ILE E 192 ? 0.0998 0.1249 0.1022 -0.0108 -0.0061 0.0020 192 ILE E C 16831 O O . ILE E 192 ? 0.1198 0.1470 0.1220 -0.0113 -0.0065 0.0023 192 ILE E O 16832 C CB . ILE E 192 ? 0.1001 0.1244 0.1030 -0.0096 -0.0058 0.0035 192 ILE E CB 16833 C CG1 . ILE E 192 ? 0.1180 0.1408 0.1218 -0.0088 -0.0055 0.0042 192 ILE E CG1 16834 C CG2 . ILE E 192 ? 0.1071 0.1305 0.1086 -0.0099 -0.0056 0.0022 192 ILE E CG2 16835 C CD1 . ILE E 192 ? 0.1485 0.1716 0.1521 -0.0084 -0.0055 0.0049 192 ILE E CD1 16847 N N . ARG E 193 ? 0.1058 0.1290 0.1076 -0.0111 -0.0058 0.0009 193 ARG E N 16848 C CA . ARG E 193 ? 0.1146 0.1380 0.1153 -0.0119 -0.0059 -0.0003 193 ARG E CA 16849 C C . ARG E 193 ? 0.1181 0.1397 0.1177 -0.0118 -0.0055 -0.0013 193 ARG E C 16850 O O . ARG E 193 ? 0.1322 0.1517 0.1319 -0.0114 -0.0051 -0.0016 193 ARG E O 16851 C CB . ARG E 193 ? 0.1371 0.1603 0.1384 -0.0124 -0.0060 -0.0007 193 ARG E CB 16852 C CG . ARG E 193 ? 0.1381 0.1634 0.1405 -0.0125 -0.0064 0.0002 193 ARG E CG 16853 C CD . ARG E 193 ? 0.1827 0.2105 0.1846 -0.0132 -0.0070 0.0002 193 ARG E CD 16854 N NE . ARG E 193 ? 0.2084 0.2383 0.2114 -0.0133 -0.0074 0.0012 193 ARG E NE 16855 C CZ . ARG E 193 ? 0.1875 0.2190 0.1912 -0.0128 -0.0076 0.0025 193 ARG E CZ 16856 N NH1 . ARG E 193 ? 0.2169 0.2481 0.2202 -0.0122 -0.0075 0.0029 193 ARG E NH1 16857 N NH2 . ARG E 193 ? 0.2625 0.2958 0.2672 -0.0129 -0.0080 0.0033 193 ARG E NH2 16871 N N . GLY E 194 ? 0.1143 0.1368 0.1128 -0.0121 -0.0056 -0.0019 194 GLY E N 16872 C CA . GLY E 194 ? 0.1008 0.1217 0.0982 -0.0120 -0.0053 -0.0028 194 GLY E CA 16873 C C . GLY E 194 ? 0.0860 0.1063 0.0834 -0.0112 -0.0050 -0.0022 194 GLY E C 16874 O O . GLY E 194 ? 0.1206 0.1425 0.1186 -0.0109 -0.0052 -0.0011 194 GLY E O 16878 N N . TYR E 195 ? 0.0789 0.0972 0.0759 -0.0109 -0.0045 -0.0029 195 TYR E N 16879 C CA . TYR E 195 ? 0.0794 0.0972 0.0763 -0.0102 -0.0043 -0.0024 195 TYR E CA 16880 C C . TYR E 195 ? 0.0891 0.1058 0.0872 -0.0096 -0.0041 -0.0016 195 TYR E C 16881 O O . TYR E 195 ? 0.0970 0.1117 0.0951 -0.0094 -0.0037 -0.0020 195 TYR E O 16882 C CB . TYR E 195 ? 0.1040 0.1204 0.0998 -0.0101 -0.0039 -0.0036 195 TYR E CB 16883 C CG . TYR E 195 ? 0.0972 0.1134 0.0928 -0.0096 -0.0036 -0.0033 195 TYR E CG 16884 C CD1 . TYR E 195 ? 0.1005 0.1183 0.0963 -0.0094 -0.0038 -0.0023 195 TYR E CD1 16885 C CD2 . TYR E 195 ? 0.1043 0.1187 0.0994 -0.0092 -0.0032 -0.0041 195 TYR E CD2 16886 C CE1 . TYR E 195 ? 0.1036 0.1214 0.0991 -0.0089 -0.0035 -0.0020 195 TYR E CE1 16887 C CE2 . TYR E 195 ? 0.1054 0.1198 0.1002 -0.0088 -0.0029 -0.0039 195 TYR E CE2 16888 C CZ . TYR E 195 ? 0.1093 0.1254 0.1044 -0.0086 -0.0031 -0.0029 195 TYR E CZ 16889 O OH . TYR E 195 ? 0.1121 0.1281 0.1069 -0.0081 -0.0028 -0.0026 195 TYR E OH 16899 N N . VAL E 196 ? 0.0904 0.1084 0.0894 -0.0094 -0.0043 -0.0004 196 VAL E N 16900 C CA . VAL E 196 ? 0.0743 0.0914 0.0744 -0.0088 -0.0042 0.0005 196 VAL E CA 16901 C C . VAL E 196 ? 0.0978 0.1162 0.0981 -0.0085 -0.0043 0.0016 196 VAL E C 16902 O O . VAL E 196 ? 0.1070 0.1275 0.1074 -0.0088 -0.0047 0.0022 196 VAL E O 16903 C CB . VAL E 196 ? 0.1023 0.1195 0.1035 -0.0088 -0.0043 0.0010 196 VAL E CB 16904 C CG1 . VAL E 196 ? 0.1042 0.1202 0.1064 -0.0082 -0.0041 0.0017 196 VAL E CG1 16905 C CG2 . VAL E 196 ? 0.1136 0.1300 0.1144 -0.0093 -0.0043 0.0000 196 VAL E CG2 16915 N N . ILE E 197 ? 0.0863 0.1037 0.0869 -0.0080 -0.0041 0.0020 197 ILE E N 16916 C CA . ILE E 197 ? 0.0923 0.1108 0.0931 -0.0077 -0.0042 0.0030 197 ILE E CA 16917 C C . ILE E 197 ? 0.0842 0.1019 0.0863 -0.0072 -0.0041 0.0041 197 ILE E C 16918 O O . ILE E 197 ? 0.1062 0.1220 0.1086 -0.0069 -0.0039 0.0037 197 ILE E O 16919 C CB . ILE E 197 ? 0.0846 0.1027 0.0846 -0.0076 -0.0039 0.0026 197 ILE E CB 16920 C CG1 . ILE E 197 ? 0.1011 0.1197 0.0997 -0.0080 -0.0038 0.0014 197 ILE E CG1 16921 C CG2 . ILE E 197 ? 0.1283 0.1475 0.1285 -0.0073 -0.0040 0.0038 197 ILE E CG2 16922 C CD1 . ILE E 197 ? 0.1255 0.1466 0.1237 -0.0085 -0.0042 0.0017 197 ILE E CD1 16934 N N . ILE E 198 ? 0.1047 0.1237 0.1075 -0.0070 -0.0044 0.0053 198 ILE E N 16935 C CA . ILE E 198 ? 0.0860 0.1043 0.0900 -0.0065 -0.0044 0.0062 198 ILE E CA 16936 C C . ILE E 198 ? 0.0824 0.1003 0.0863 -0.0062 -0.0043 0.0067 198 ILE E C 16937 O O . ILE E 198 ? 0.1134 0.1327 0.1168 -0.0064 -0.0044 0.0071 198 ILE E O 16938 C CB . ILE E 198 ? 0.1120 0.1318 0.1170 -0.0064 -0.0048 0.0074 198 ILE E CB 16939 C CG1 . ILE E 198 ? 0.1168 0.1369 0.1220 -0.0067 -0.0049 0.0070 198 ILE E CG1 16940 C CG2 . ILE E 198 ? 0.1284 0.1473 0.1346 -0.0059 -0.0048 0.0085 198 ILE E CG2 16941 C CD1 . ILE E 198 ? 0.1444 0.1664 0.1505 -0.0067 -0.0054 0.0081 198 ILE E CD1 16953 N N . LYS E 199 ? 0.0807 0.0968 0.0851 -0.0058 -0.0040 0.0066 199 LYS E N 16954 C CA . LYS E 199 ? 0.0871 0.1026 0.0915 -0.0056 -0.0038 0.0070 199 LYS E CA 16955 C C . LYS E 199 ? 0.0987 0.1129 0.1042 -0.0052 -0.0038 0.0077 199 LYS E C 16956 O O . LYS E 199 ? 0.0838 0.0972 0.0900 -0.0050 -0.0038 0.0075 199 LYS E O 16957 C CB . LYS E 199 ? 0.0842 0.0985 0.0876 -0.0056 -0.0035 0.0058 199 LYS E CB 16958 C CG . LYS E 199 ? 0.1162 0.1318 0.1184 -0.0060 -0.0034 0.0052 199 LYS E CG 16959 C CD . LYS E 199 ? 0.1948 0.2118 0.1969 -0.0061 -0.0035 0.0060 199 LYS E CD 16960 C CE . LYS E 199 ? 0.2031 0.2214 0.2038 -0.0064 -0.0034 0.0053 199 LYS E CE 16961 N NZ . LYS E 199 ? 0.2981 0.3181 0.2989 -0.0064 -0.0036 0.0064 199 LYS E NZ 16975 N N . PRO E 200 ? 0.0902 0.1043 0.0961 -0.0050 -0.0038 0.0084 200 PRO E N 16976 C CA . PRO E 200 ? 0.0919 0.1045 0.0989 -0.0046 -0.0038 0.0089 200 PRO E CA 16977 C C . PRO E 200 ? 0.0791 0.0897 0.0859 -0.0044 -0.0035 0.0078 200 PRO E C 16978 O O . PRO E 200 ? 0.1001 0.1103 0.1059 -0.0045 -0.0032 0.0069 200 PRO E O 16979 C CB . PRO E 200 ? 0.0944 0.1072 0.1014 -0.0046 -0.0038 0.0096 200 PRO E CB 16980 C CG . PRO E 200 ? 0.1230 0.1379 0.1294 -0.0049 -0.0039 0.0099 200 PRO E CG 16981 C CD . PRO E 200 ? 0.1300 0.1453 0.1354 -0.0052 -0.0038 0.0088 200 PRO E CD 16989 N N . LEU E 201 ? 0.0807 0.0901 0.0883 -0.0040 -0.0035 0.0080 201 LEU E N 16990 C CA . LEU E 201 ? 0.0872 0.0946 0.0947 -0.0038 -0.0032 0.0072 201 LEU E CA 16991 C C . LEU E 201 ? 0.1239 0.1304 0.1315 -0.0037 -0.0031 0.0073 201 LEU E C 16992 O O . LEU E 201 ? 0.1604 0.1669 0.1688 -0.0035 -0.0033 0.0083 201 LEU E O 16993 C CB . LEU E 201 ? 0.0994 0.1060 0.1080 -0.0034 -0.0033 0.0075 201 LEU E CB 16994 C CG . LEU E 201 ? 0.1225 0.1271 0.1311 -0.0031 -0.0030 0.0068 201 LEU E CG 16995 C CD1 . LEU E 201 ? 0.1115 0.1156 0.1193 -0.0033 -0.0028 0.0057 201 LEU E CD1 16996 C CD2 . LEU E 201 ? 0.1594 0.1633 0.1691 -0.0027 -0.0031 0.0072 201 LEU E CD2 17008 N N . VAL E 202 ? 0.0862 0.0920 0.0929 -0.0037 -0.0029 0.0065 202 VAL E N 17009 C CA . VAL E 202 ? 0.0956 0.1009 0.1024 -0.0037 -0.0028 0.0066 202 VAL E CA 17010 C C . VAL E 202 ? 0.0893 0.0927 0.0961 -0.0034 -0.0026 0.0059 202 VAL E C 17011 O O . VAL E 202 ? 0.1274 0.1301 0.1344 -0.0033 -0.0025 0.0060 202 VAL E O 17012 C CB . VAL E 202 ? 0.0875 0.0938 0.0934 -0.0039 -0.0027 0.0064 202 VAL E CB 17013 C CG1 . VAL E 202 ? 0.1411 0.1493 0.1469 -0.0042 -0.0029 0.0071 202 VAL E CG1 17014 C CG2 . VAL E 202 ? 0.1201 0.1259 0.1250 -0.0040 -0.0024 0.0052 202 VAL E CG2 17024 N N . TRP E 203 ? 0.0944 0.0970 0.1011 -0.0033 -0.0025 0.0052 203 TRP E N 17025 C CA . TRP E 203 ? 0.1093 0.1103 0.1159 -0.0031 -0.0023 0.0045 203 TRP E CA 17026 C C . TRP E 203 ? 0.1462 0.1462 0.1536 -0.0027 -0.0023 0.0048 203 TRP E C 17027 O O . TRP E 203 ? 0.2299 0.2306 0.2380 -0.0027 -0.0025 0.0055 203 TRP E O 17028 C CB . TRP E 203 ? 0.1349 0.1355 0.1405 -0.0032 -0.0020 0.0035 203 TRP E CB 17029 C CG . TRP E 203 ? 0.1134 0.1150 0.1189 -0.0034 -0.0021 0.0035 203 TRP E CG 17030 C CD1 . TRP E 203 ? 0.1068 0.1098 0.1117 -0.0037 -0.0022 0.0034 203 TRP E CD1 17031 C CD2 . TRP E 203 ? 0.0774 0.0787 0.0832 -0.0033 -0.0021 0.0033 203 TRP E CD2 17032 N NE1 . TRP E 203 ? 0.1072 0.1107 0.1121 -0.0039 -0.0022 0.0033 203 TRP E NE1 17033 C CE2 . TRP E 203 ? 0.0799 0.0825 0.0855 -0.0037 -0.0022 0.0032 203 TRP E CE2 17034 C CE3 . TRP E 203 ? 0.1043 0.1044 0.1107 -0.0030 -0.0020 0.0032 203 TRP E CE3 17035 C CZ2 . TRP E 203 ? 0.0875 0.0902 0.0933 -0.0037 -0.0022 0.0031 203 TRP E CZ2 17036 C CZ3 . TRP E 203 ? 0.1078 0.1081 0.1144 -0.0030 -0.0020 0.0031 203 TRP E CZ3 17037 C CH2 . TRP E 203 ? 0.1083 0.1099 0.1147 -0.0034 -0.0021 0.0031 203 TRP E CH2 17048 N N . VAL E 204 ? 0.2615 0.2600 0.2689 -0.0025 -0.0022 0.0043 204 VAL E N 17049 C CA . VAL E 204 ? 0.4014 0.3991 0.4098 -0.0022 -0.0023 0.0047 204 VAL E CA 17050 C C . VAL E 204 ? 0.6054 0.6031 0.6139 -0.0020 -0.0022 0.0044 204 VAL E C 17051 O O . VAL E 204 ? 0.5511 0.5498 0.5600 -0.0020 -0.0023 0.0049 204 VAL E O 17052 C CB . VAL E 204 ? 0.5676 0.5639 0.5762 -0.0019 -0.0023 0.0045 204 VAL E CB 17053 C CG1 . VAL E 204 ? 0.5485 0.5439 0.5579 -0.0015 -0.0023 0.0047 204 VAL E CG1 17054 C CG2 . VAL E 204 ? 0.5557 0.5523 0.5645 -0.0021 -0.0024 0.0051 204 VAL E CG2 17055 O OXT . VAL E 204 ? 0.4447 0.4414 0.4528 -0.0019 -0.0020 0.0037 204 VAL E OXT 17065 C CA . OPE F . ? 0.3130 0.3128 0.3011 -0.0006 0.0031 -0.0139 700 OPE A CA 17066 C CB . OPE F . ? 0.2589 0.2576 0.2480 -0.0007 0.0028 -0.0130 700 OPE A CB 17067 O O1 . OPE F . ? 0.2997 0.2975 0.2862 0.0012 0.0041 -0.0168 700 OPE A O1 17068 O O2 . OPE F . ? 0.3816 0.3790 0.3676 -0.0004 0.0035 -0.0171 700 OPE A O2 17069 O O3 . OPE F . ? 0.2447 0.2462 0.2309 0.0000 0.0037 -0.0159 700 OPE A O3 17070 O O4 . OPE F . ? 0.3391 0.3376 0.3269 0.0000 0.0034 -0.0148 700 OPE A O4 17071 N N . OPE F . ? 0.3599 0.3564 0.3489 -0.0009 0.0028 -0.0137 700 OPE A N 17072 P P . OPE F . ? 0.3146 0.3136 0.3012 0.0002 0.0037 -0.0161 700 OPE A P 17073 CA CA . CA G . ? 0.2492 0.2494 0.2359 0.0023 0.0047 -0.0165 205 CA A CA 17074 C C1 . NAG H . ? 0.3619 0.3930 0.3584 -0.0072 -0.0030 0.0082 207 NAG A C1 17075 C C2 . NAG H . ? 0.4849 0.5185 0.4813 -0.0074 -0.0032 0.0095 207 NAG A C2 17076 C C3 . NAG H . ? 0.5885 0.6227 0.5856 -0.0076 -0.0037 0.0105 207 NAG A C3 17077 C C4 . NAG H . ? 0.6439 0.6761 0.6425 -0.0073 -0.0038 0.0111 207 NAG A C4 17078 C C5 . NAG H . ? 0.6005 0.6303 0.5991 -0.0071 -0.0036 0.0097 207 NAG A C5 17079 C C6 . NAG H . ? 0.5517 0.5794 0.5516 -0.0068 -0.0036 0.0102 207 NAG A C6 17080 C C7 . NAG H . ? 0.5026 0.5394 0.4970 -0.0075 -0.0028 0.0089 207 NAG A C7 17081 C C8 . NAG H . ? 0.6736 0.7118 0.6664 -0.0077 -0.0026 0.0078 207 NAG A C8 17082 N N2 . NAG H . ? 0.4345 0.4700 0.4295 -0.0076 -0.0031 0.0088 207 NAG A N2 17083 O O3 . NAG H . ? 0.4880 0.5246 0.4852 -0.0077 -0.0039 0.0119 207 NAG A O3 17084 O O4 . NAG H . ? 0.8174 0.8500 0.8167 -0.0074 -0.0043 0.0119 207 NAG A O4 17085 O O5 . NAG H . ? 0.5009 0.5303 0.4987 -0.0070 -0.0031 0.0089 207 NAG A O5 17086 O O6 . NAG H . ? 0.7650 0.7923 0.7654 -0.0069 -0.0040 0.0102 207 NAG A O6 17087 O O7 . NAG H . ? 0.4611 0.4979 0.4563 -0.0074 -0.0026 0.0100 207 NAG A O7 17101 CA CA . CA I . ? 0.2470 0.2525 0.2330 0.0004 0.0040 -0.0154 206 CA A CA 17102 C CA . OPE J . ? 0.1536 0.1490 0.1558 0.0153 0.0026 -0.0039 1700 OPE B CA 17103 C CB . OPE J . ? 0.1365 0.1308 0.1381 0.0142 0.0024 -0.0040 1700 OPE B CB 17104 O O1 . OPE J . ? 0.1155 0.1124 0.1188 0.0176 0.0028 -0.0034 1700 OPE B O1 17105 O O2 . OPE J . ? 0.1255 0.1185 0.1277 0.0177 0.0025 -0.0032 1700 OPE B O2 17106 O O3 . OPE J . ? 0.1774 0.1702 0.1791 0.0178 0.0034 -0.0045 1700 OPE B O3 17107 O O4 . OPE J . ? 0.1390 0.1329 0.1409 0.0160 0.0025 -0.0037 1700 OPE B O4 17108 N N . OPE J . ? 0.1890 0.1810 0.1896 0.0142 0.0027 -0.0046 1700 OPE B N 17109 P P . OPE J . ? 0.1399 0.1341 0.1422 0.0174 0.0028 -0.0037 1700 OPE B P 17110 CA CA . CA K . ? 0.0975 0.0978 0.1023 0.0180 0.0023 -0.0024 205 CA B CA 17111 C C1 . NAG L . ? 0.2332 0.2675 0.2486 0.0036 0.0027 0.0057 207 NAG B C1 17112 C C2 . NAG L . ? 0.2813 0.3186 0.2979 0.0032 0.0028 0.0067 207 NAG B C2 17113 C C3 . NAG L . ? 0.4687 0.5072 0.4852 0.0025 0.0031 0.0073 207 NAG B C3 17114 C C4 . NAG L . ? 0.5060 0.5425 0.5223 0.0015 0.0026 0.0075 207 NAG B C4 17115 C C5 . NAG L . ? 0.5030 0.5366 0.5180 0.0020 0.0025 0.0065 207 NAG B C5 17116 C C6 . NAG L . ? 0.5207 0.5522 0.5355 0.0011 0.0020 0.0067 207 NAG B C6 17117 C C7 . NAG L . ? 0.3863 0.4268 0.4043 0.0045 0.0032 0.0067 207 NAG B C7 17118 C C8 . NAG L . ? 0.3344 0.3751 0.3536 0.0034 0.0024 0.0075 207 NAG B C8 17119 N N2 . NAG L . ? 0.2737 0.3129 0.2906 0.0042 0.0033 0.0064 207 NAG B N2 17120 O O3 . NAG L . ? 0.4052 0.4465 0.4230 0.0020 0.0032 0.0083 207 NAG B O3 17121 O O4 . NAG L . ? 0.5886 0.6260 0.6046 0.0010 0.0029 0.0080 207 NAG B O4 17122 O O5 . NAG L . ? 0.3107 0.3434 0.3258 0.0026 0.0023 0.0060 207 NAG B O5 17123 O O6 . NAG L . ? 0.5941 0.6230 0.6078 0.0015 0.0018 0.0058 207 NAG B O6 17124 O O7 . NAG L . ? 0.5543 0.5960 0.5723 0.0055 0.0036 0.0064 207 NAG B O7 17138 CA CA . CA M . ? 0.1041 0.0986 0.1070 0.0181 0.0018 -0.0021 206 CA B CA 17139 C CA . OPE N . ? 0.1697 0.1517 0.1539 0.0090 -0.0022 0.0033 2700 OPE C CA 17140 C CB . OPE N . ? 0.1706 0.1520 0.1557 0.0086 -0.0019 0.0025 2700 OPE C CB 17141 O O1 . OPE N . ? 0.1491 0.1318 0.1313 0.0096 -0.0023 0.0049 2700 OPE C O1 17142 O O2 . OPE N . ? 0.1653 0.1458 0.1475 0.0091 -0.0012 0.0052 2700 OPE C O2 17143 O O3 . OPE N . ? 0.2010 0.1815 0.1845 0.0100 -0.0017 0.0055 2700 OPE C O3 17144 O O4 . OPE N . ? 0.1702 0.1513 0.1539 0.0090 -0.0017 0.0038 2700 OPE C O4 17145 N N . OPE N . ? 0.2260 0.2062 0.2116 0.0088 -0.0015 0.0028 2700 OPE C N 17146 P P . OPE N . ? 0.1696 0.1508 0.1525 0.0095 -0.0017 0.0049 2700 OPE C P 17147 CA CA . CA O . ? 0.1507 0.1322 0.1312 0.0087 -0.0010 0.0051 205 CA C CA 17148 CA CA . CA P . ? 0.1351 0.1198 0.1158 0.0094 -0.0028 0.0046 206 CA C CA 17149 C C1 . NAG Q . ? 0.2789 0.2842 0.2718 0.0028 -0.0146 -0.0036 207 NAG C C1 17150 C C2 . NAG Q . ? 0.3037 0.3104 0.2963 0.0022 -0.0155 -0.0041 207 NAG C C2 17151 C C3 . NAG Q . ? 0.3847 0.3935 0.3786 0.0020 -0.0162 -0.0036 207 NAG C C3 17152 C C4 . NAG Q . ? 0.4399 0.4485 0.4354 0.0017 -0.0159 -0.0035 207 NAG C C4 17153 C C5 . NAG Q . ? 0.4763 0.4836 0.4719 0.0024 -0.0149 -0.0030 207 NAG C C5 17154 C C6 . NAG Q . ? 0.4936 0.5007 0.4907 0.0021 -0.0146 -0.0029 207 NAG C C6 17155 C C7 . NAG Q . ? 0.3916 0.3984 0.3815 0.0023 -0.0160 -0.0047 207 NAG C C7 17156 C C8 . NAG Q . ? 0.2873 0.2934 0.2774 0.0013 -0.0163 -0.0059 207 NAG C C8 17157 N N2 . NAG Q . ? 0.3038 0.3108 0.2949 0.0027 -0.0156 -0.0039 207 NAG C N2 17158 O O3 . NAG Q . ? 0.4083 0.4181 0.4019 0.0013 -0.0171 -0.0042 207 NAG C O3 17159 O O4 . NAG Q . ? 0.4646 0.4753 0.4613 0.0017 -0.0164 -0.0029 207 NAG C O4 17160 O O5 . NAG Q . ? 0.2844 0.2898 0.2788 0.0024 -0.0145 -0.0036 207 NAG C O5 17161 O O6 . NAG Q . ? 0.4841 0.4902 0.4813 0.0012 -0.0148 -0.0037 207 NAG C O6 17162 O O7 . NAG Q . ? 0.5494 0.5567 0.5381 0.0027 -0.0162 -0.0045 207 NAG C O7 17176 C CA . OPE R . ? 0.2559 0.2436 0.2481 -0.0006 0.0087 0.0008 3700 OPE D CA 17177 C CB . OPE R . ? 0.2156 0.2021 0.2080 -0.0004 0.0081 0.0003 3700 OPE D CB 17178 O O1 . OPE R . ? 0.1980 0.1872 0.1921 -0.0025 0.0095 0.0022 3700 OPE D O1 17179 O O2 . OPE R . ? 0.2996 0.2874 0.2916 -0.0020 0.0095 0.0027 3700 OPE D O2 17180 O O3 . OPE R . ? 0.1593 0.1496 0.1521 -0.0012 0.0099 0.0018 3700 OPE D O3 17181 O O4 . OPE R . ? 0.2356 0.2234 0.2286 -0.0013 0.0089 0.0013 3700 OPE D O4 17182 N N . OPE R . ? 0.2851 0.2704 0.2771 -0.0009 0.0080 0.0007 3700 OPE D N 17183 P P . OPE R . ? 0.2299 0.2188 0.2229 -0.0018 0.0095 0.0020 3700 OPE D P 17184 CA CA . CA S . ? 0.1287 0.1202 0.1245 -0.0028 0.0098 0.0022 205 CA D CA 17185 C C1 . NAG T . ? 0.2240 0.2151 0.2024 0.0109 0.0083 -0.0152 207 NAG D C1 17186 C C2 . NAG T . ? 0.2299 0.2215 0.2076 0.0116 0.0088 -0.0164 207 NAG D C2 17187 C C3 . NAG T . ? 0.3329 0.3249 0.3089 0.0118 0.0085 -0.0172 207 NAG D C3 17188 C C4 . NAG T . ? 0.3801 0.3707 0.3558 0.0114 0.0076 -0.0175 207 NAG D C4 17189 C C5 . NAG T . ? 0.4977 0.4880 0.4742 0.0107 0.0073 -0.0161 207 NAG D C5 17190 C C6 . NAG T . ? 0.4689 0.4580 0.4453 0.0102 0.0063 -0.0163 207 NAG D C6 17191 C C7 . NAG T . ? 0.3632 0.3564 0.3419 0.0125 0.0101 -0.0164 207 NAG D C7 17192 C C8 . NAG T . ? 0.4212 0.4161 0.4001 0.0127 0.0110 -0.0158 207 NAG D C8 17193 N N2 . NAG T . ? 0.2741 0.2672 0.2520 0.0119 0.0097 -0.0159 207 NAG D N2 17194 O O3 . NAG T . ? 0.4038 0.3960 0.3793 0.0125 0.0089 -0.0184 207 NAG D O3 17195 O O4 . NAG T . ? 0.3886 0.3797 0.3626 0.0114 0.0073 -0.0180 207 NAG D O4 17196 O O5 . NAG T . ? 0.2924 0.2823 0.2706 0.0106 0.0075 -0.0156 207 NAG D O5 17197 O O6 . NAG T . ? 0.5493 0.5371 0.5265 0.0103 0.0059 -0.0172 207 NAG D O6 17198 O O7 . NAG T . ? 0.3900 0.3821 0.3695 0.0128 0.0098 -0.0173 207 NAG D O7 17212 CA CA . CA U . ? 0.1175 0.1105 0.1111 -0.0008 0.0106 0.0016 206 CA D CA 17213 C CA . OPE V . ? 0.2202 0.2204 0.2248 -0.0111 -0.0003 -0.0034 4700 OPE E CA 17214 C CB . OPE V . ? 0.1833 0.1818 0.1873 -0.0103 0.0000 -0.0035 4700 OPE E CB 17215 O O1 . OPE V . ? 0.1333 0.1363 0.1384 -0.0130 -0.0010 -0.0037 4700 OPE E O1 17216 O O2 . OPE V . ? 0.1482 0.1484 0.1514 -0.0133 -0.0011 -0.0051 4700 OPE E O2 17217 O O3 . OPE V . ? 0.2263 0.2258 0.2304 -0.0134 -0.0004 -0.0044 4700 OPE E O3 17218 O O4 . OPE V . ? 0.1998 0.1994 0.2036 -0.0118 -0.0005 -0.0041 4700 OPE E O4 17219 N N . OPE V . ? 0.2536 0.2503 0.2570 -0.0105 0.0003 -0.0039 4700 OPE E N 17220 P P . OPE V . ? 0.1785 0.1791 0.1826 -0.0129 -0.0008 -0.0043 4700 OPE E P 17221 CA CA . CA W . ? 0.1026 0.1049 0.1054 -0.0136 -0.0017 -0.0054 205 CA E CA 17222 C C1 . NAG X . ? 0.3040 0.3210 0.3285 0.0039 0.0020 0.0064 207 NAG E C1 17223 C C2 . NAG X . ? 0.3426 0.3616 0.3687 0.0044 0.0017 0.0073 207 NAG E C2 17224 C C3 . NAG X . ? 0.4404 0.4606 0.4676 0.0052 0.0022 0.0074 207 NAG E C3 17225 C C4 . NAG X . ? 0.5000 0.5183 0.5269 0.0062 0.0028 0.0068 207 NAG E C4 17226 C C5 . NAG X . ? 0.5224 0.5387 0.5476 0.0056 0.0029 0.0060 207 NAG E C5 17227 C C6 . NAG X . ? 0.5363 0.5507 0.5612 0.0065 0.0033 0.0054 207 NAG E C6 17228 C C7 . NAG X . ? 0.4324 0.4543 0.4593 0.0035 0.0007 0.0085 207 NAG E C7 17229 C C8 . NAG X . ? 0.4452 0.4694 0.4725 0.0026 0.0003 0.0089 207 NAG E C8 17230 N N2 . NAG X . ? 0.3368 0.3577 0.3631 0.0035 0.0013 0.0078 207 NAG E N2 17231 O O3 . NAG X . ? 0.4571 0.4789 0.4858 0.0059 0.0020 0.0083 207 NAG E O3 17232 O O4 . NAG X . ? 0.5601 0.5795 0.5876 0.0067 0.0033 0.0067 207 NAG E O4 17233 O O5 . NAG X . ? 0.3495 0.3649 0.3739 0.0049 0.0023 0.0061 207 NAG E O5 17234 O O6 . NAG X . ? 0.5647 0.5771 0.5890 0.0067 0.0029 0.0053 207 NAG E O6 17235 O O7 . NAG X . ? 0.4237 0.4447 0.4509 0.0042 0.0005 0.0088 207 NAG E O7 17249 CA CA . CA Y . ? 0.1009 0.1073 0.1069 -0.0131 -0.0017 -0.0032 206 CA E CA 17250 O O . HOH Z . ? 0.2138 0.2209 0.2162 -0.0044 -0.0020 0.0033 208 HOH A O 17251 O O . HOH Z . ? 0.2143 0.2395 0.2256 -0.0076 -0.0008 0.0173 209 HOH A O 17252 O O . HOH Z . ? 0.1892 0.1896 0.1877 0.0003 0.0015 -0.0035 210 HOH A O 17253 O O . HOH Z . ? 0.1732 0.1690 0.1724 0.0010 0.0011 -0.0036 211 HOH A O 17254 O O . HOH Z . ? 0.2080 0.2061 0.2066 -0.0002 0.0010 -0.0034 212 HOH A O 17255 O O . HOH Z . ? 0.2124 0.2082 0.2100 0.0017 0.0018 -0.0052 213 HOH A O 17256 O O . HOH Z . ? 0.2419 0.2357 0.2408 0.0003 0.0008 -0.0038 214 HOH A O 17257 O O . HOH Z . ? 0.3480 0.3411 0.3424 -0.0044 0.0006 -0.0082 215 HOH A O 17258 O O . HOH Z . ? 0.2162 0.2146 0.2116 -0.0057 -0.0004 -0.0066 216 HOH A O 17259 O O . HOH Z . ? 0.1304 0.1305 0.1291 0.0039 0.0027 -0.0050 217 HOH A O 17260 O O . HOH Z . ? 0.1646 0.1627 0.1625 0.0053 0.0032 -0.0064 218 HOH A O 17261 O O . HOH Z . ? 0.3857 0.3801 0.3813 0.0072 0.0042 -0.0092 219 HOH A O 17262 O O . HOH Z . ? 0.1990 0.1969 0.1960 0.0070 0.0040 -0.0077 220 HOH A O 17263 O O . HOH Z . ? 0.1429 0.1501 0.1480 0.0011 0.0007 0.0006 221 HOH A O 17264 O O . HOH Z . ? 0.2333 0.2297 0.2349 -0.0009 -0.0001 -0.0010 222 HOH A O 17265 O O . HOH Z . ? 0.2531 0.2468 0.2547 -0.0008 -0.0003 -0.0014 223 HOH A O 17266 O O . HOH Z . ? 0.3065 0.2947 0.3050 0.0026 0.0007 -0.0043 224 HOH A O 17267 O O . HOH Z . ? 0.2111 0.2221 0.1990 -0.0003 0.0036 -0.0116 225 HOH A O 17268 O O . HOH Z . ? 0.2636 0.2662 0.2505 0.0036 0.0054 -0.0163 226 HOH A O 17269 O O . HOH Z . ? 0.2767 0.2730 0.2632 0.0032 0.0050 -0.0179 227 HOH A O 17270 O O . HOH Z . ? 0.2659 0.2985 0.2627 -0.0068 -0.0021 0.0097 228 HOH A O 17271 O O . HOH Z . ? 0.1407 0.1567 0.1393 -0.0056 -0.0020 0.0031 229 HOH A O 17272 O O . HOH Z . ? 0.2470 0.2740 0.2463 -0.0065 -0.0027 0.0096 230 HOH A O 17273 O O . HOH Z . ? 0.2833 0.3030 0.2929 -0.0065 -0.0012 0.0144 231 HOH A O 17274 O O . HOH Z . ? 0.3393 0.3629 0.3508 -0.0069 -0.0005 0.0150 232 HOH A O 17275 O O . HOH Z . ? 0.2496 0.2502 0.2471 0.0084 0.0047 -0.0080 233 HOH A O 17276 O O . HOH Z . ? 0.3577 0.3595 0.3542 0.0106 0.0061 -0.0100 234 HOH A O 17277 O O . HOH Z . ? 0.1326 0.1318 0.1323 0.0006 0.0011 -0.0027 235 HOH A O 17278 O O . HOH Z . ? 0.1981 0.2019 0.1975 0.0084 0.0044 -0.0064 236 HOH A O 17279 O O . HOH Z . ? 0.2936 0.2942 0.2978 -0.0020 -0.0007 0.0019 237 HOH A O 17280 O O . HOH Z . ? 0.2911 0.2858 0.2928 -0.0016 -0.0005 -0.0009 238 HOH A O 17281 O O . HOH Z . ? 0.3340 0.3297 0.3226 0.0083 0.0069 -0.0178 239 HOH A O 17282 O O . HOH Z . ? 0.2489 0.2820 0.2420 -0.0064 -0.0011 0.0054 240 HOH A O 17283 O O . HOH Z . ? 0.3852 0.4048 0.3887 -0.0057 -0.0031 0.0106 241 HOH A O 17284 O O . HOH Z . ? 0.2592 0.2984 0.2656 -0.0057 0.0026 0.0150 242 HOH A O 17285 O O . HOH Z . ? 0.2820 0.2941 0.2861 -0.0050 -0.0030 0.0066 243 HOH A O 17286 O O . HOH Z . ? 0.1020 0.1064 0.1052 -0.0031 -0.0009 0.0033 244 HOH A O 17287 O O . HOH Z . ? 0.1504 0.1670 0.1561 -0.0053 -0.0015 0.0109 249 HOH A O 17288 O O . HOH Z . ? 0.1874 0.1915 0.1775 0.0045 0.0054 -0.0130 271 HOH A O 17289 O O . HOH Z . ? 0.2087 0.2030 0.2063 0.0054 0.0028 -0.0065 278 HOH A O 17290 O O . HOH Z . ? 0.1932 0.2232 0.1931 -0.0062 -0.0012 0.0116 283 HOH A O 17291 O O . HOH Z . ? 0.1815 0.1826 0.1759 -0.0058 -0.0005 -0.0070 286 HOH A O 17292 O O . HOH Z . ? 0.1616 0.1736 0.1678 0.0000 0.0009 0.0025 295 HOH A O 17293 O O . HOH Z . ? 0.1284 0.1415 0.1322 -0.0036 -0.0002 0.0059 296 HOH A O 17294 O O . HOH Z . ? 0.2031 0.2088 0.2040 -0.0043 -0.0014 0.0014 305 HOH A O 17295 O O . HOH Z . ? 0.2103 0.2069 0.2101 -0.0002 0.0006 -0.0026 307 HOH A O 17296 O O . HOH Z . ? 0.2037 0.2142 0.1963 0.0013 0.0038 -0.0076 308 HOH A O 17297 O O . HOH Z . ? 0.1901 0.1802 0.1852 0.0048 0.0033 -0.0087 310 HOH A O 17298 O O . HOH Z . ? 0.2030 0.2127 0.1979 0.0015 0.0035 -0.0057 312 HOH A O 17299 O O . HOH Z . ? 0.1809 0.2106 0.1753 -0.0075 -0.0030 0.0046 314 HOH A O 17300 O O . HOH Z . ? 0.2027 0.2154 0.1919 -0.0085 -0.0017 -0.0094 318 HOH A O 17301 O O . HOH Z . ? 0.1560 0.1907 0.1547 -0.0036 0.0028 0.0077 329 HOH A O 17302 O O . HOH Z . ? 0.1883 0.1933 0.1867 -0.0044 -0.0009 -0.0013 334 HOH A O 17303 O O . HOH Z . ? 0.2552 0.2486 0.2565 -0.0022 -0.0004 -0.0015 338 HOH A O 17304 O O . HOH Z . ? 0.1568 0.1529 0.1586 0.0019 0.0002 -0.0021 345 HOH A O 17305 O O . HOH Z . ? 0.2917 0.2982 0.3027 -0.0050 -0.0032 0.0125 347 HOH A O 17306 O O . HOH Z . ? 0.2168 0.2471 0.2213 0.0032 0.0054 0.0020 350 HOH A O 17307 O O . HOH Z . ? 0.2033 0.2169 0.2048 -0.0049 -0.0018 0.0055 353 HOH A O 17308 O O . HOH Z . ? 0.2535 0.2489 0.2493 -0.0044 0.0002 -0.0064 359 HOH A O 17309 O O . HOH Z . ? 0.2394 0.2519 0.2496 -0.0057 -0.0031 0.0148 364 HOH A O 17310 O O . HOH Z . ? 0.2148 0.2221 0.2098 0.0068 0.0056 -0.0092 366 HOH A O 17311 O O . HOH Z . ? 0.2404 0.2803 0.2485 -0.0046 0.0034 0.0135 375 HOH A O 17312 O O . HOH Z . ? 0.2421 0.2710 0.2520 -0.0045 0.0016 0.0115 376 HOH A O 17313 O O . HOH Z . ? 0.2902 0.3069 0.2979 -0.0039 0.0001 0.0081 377 HOH A O 17314 O O . HOH Z . ? 0.2733 0.2891 0.2786 -0.0024 0.0009 0.0054 378 HOH A O 17315 O O . HOH Z . ? 0.3168 0.3413 0.3282 -0.0045 0.0007 0.0106 379 HOH A O 17316 O O . HOH Z . ? 0.1845 0.1961 0.1821 0.0066 0.0054 -0.0066 380 HOH A O 17317 O O . HOH Z . ? 0.2074 0.2167 0.2026 0.0052 0.0051 -0.0079 381 HOH A O 17318 O O . HOH Z . ? 0.3172 0.3228 0.3098 0.0112 0.0079 -0.0140 382 HOH A O 17319 O O . HOH Z . ? 0.2965 0.3237 0.2852 0.0057 0.0081 -0.0108 383 HOH A O 17320 O O . HOH Z . ? 0.4151 0.4410 0.4029 0.0033 0.0068 -0.0101 384 HOH A O 17321 O O . HOH Z . ? 0.3179 0.3599 0.3128 -0.0028 0.0044 0.0061 385 HOH A O 17322 O O . HOH Z . ? 0.2766 0.2648 0.2719 0.0013 0.0020 -0.0075 386 HOH A O 17323 O O . HOH Z . ? 0.2809 0.2687 0.2744 0.0014 0.0026 -0.0096 387 HOH A O 17324 O O . HOH Z . ? 0.3512 0.3387 0.3433 0.0022 0.0033 -0.0117 388 HOH A O 17325 O O . HOH Z . ? 0.2305 0.2237 0.2254 0.0011 0.0023 -0.0077 389 HOH A O 17326 O O . HOH Z . ? 0.3994 0.4108 0.3795 -0.0025 0.0032 -0.0198 390 HOH A O 17327 O O . HOH Z . ? 0.3384 0.3392 0.3308 -0.0063 -0.0003 -0.0091 391 HOH A O 17328 O O . HOH Z . ? 0.3028 0.2930 0.3013 -0.0009 0.0005 -0.0041 392 HOH A O 17329 O O . HOH Z . ? 0.3874 0.3806 0.3898 -0.0012 -0.0007 -0.0008 393 HOH A O 17330 O O . HOH Z . ? 0.3192 0.3161 0.3227 -0.0011 -0.0007 0.0003 394 HOH A O 17331 O O . HOH Z . ? 0.3101 0.3430 0.3005 -0.0087 -0.0034 0.0011 395 HOH A O 17332 O O . HOH Z . ? 0.3600 0.3874 0.3581 -0.0079 -0.0045 0.0060 396 HOH A O 17333 O O . HOH Z . ? 0.3612 0.3873 0.3589 -0.0085 -0.0047 0.0040 397 HOH A O 17334 O O . HOH Z . ? 0.2200 0.2363 0.2204 -0.0058 -0.0026 0.0049 398 HOH A O 17335 O O . HOH Z . ? 0.2769 0.2894 0.2807 -0.0048 -0.0025 0.0074 399 HOH A O 17336 O O . HOH Z . ? 0.3003 0.2964 0.3029 -0.0021 -0.0008 0.0002 400 HOH A O 17337 O O . HOH Z . ? 0.3688 0.3648 0.3732 -0.0023 -0.0013 0.0017 401 HOH A O 17338 O O . HOH Z . ? 0.3326 0.3329 0.3396 -0.0032 -0.0023 0.0056 402 HOH A O 17339 O O . HOH Z . ? 0.2510 0.2487 0.2552 -0.0028 -0.0014 0.0018 404 HOH A O 17340 O O . HOH Z . ? 0.2800 0.3106 0.2629 -0.0082 -0.0013 -0.0083 407 HOH A O 17341 O O . HOH Z . ? 0.2301 0.2432 0.2360 -0.0041 -0.0006 0.0077 408 HOH A O 17342 O O . HOH Z . ? 0.3837 0.4078 0.3865 -0.0061 -0.0024 0.0125 409 HOH A O 17343 O O . HOH Z . ? 0.3605 0.3705 0.3724 -0.0061 -0.0030 0.0146 410 HOH A O 17344 O O . HOH Z . ? 0.3145 0.3388 0.3203 -0.0057 -0.0002 0.0128 411 HOH A O 17345 O O . HOH Z . ? 0.2956 0.3275 0.3013 -0.0064 0.0006 0.0153 412 HOH A O 17346 O O . HOH Z . ? 0.2440 0.2797 0.2455 -0.0064 0.0004 0.0146 413 HOH A O 17347 O O . HOH Z . ? 0.2739 0.3095 0.2725 -0.0047 0.0020 0.0096 414 HOH A O 17348 O O . HOH Z . ? 0.3355 0.3767 0.3344 -0.0003 0.0060 0.0050 415 HOH A O 17349 O O . HOH Z . ? 0.2517 0.2892 0.2497 0.0038 0.0076 -0.0005 416 HOH A O 17350 O O . HOH Z . ? 0.3076 0.3442 0.3102 0.0019 0.0061 0.0034 417 HOH A O 17351 O O . HOH Z . ? 0.2756 0.3059 0.2780 0.0049 0.0064 -0.0003 418 HOH A O 17352 O O . HOH Z . ? 0.4287 0.4369 0.4379 -0.0032 -0.0012 0.0056 419 HOH A O 17353 O O . HOH Z . ? 0.4019 0.4128 0.4135 -0.0037 -0.0016 0.0065 420 HOH A O 17354 O O . HOH Z . ? 0.2735 0.2813 0.2839 -0.0028 -0.0017 0.0048 421 HOH A O 17355 O O . HOH Z . ? 0.3360 0.3388 0.3443 -0.0021 -0.0018 0.0031 422 HOH A O 17356 O O . HOH Z . ? 0.3972 0.3903 0.3843 0.0014 0.0041 -0.0170 605 HOH A O 17357 O O . HOH Z . ? 0.2474 0.2748 0.2595 -0.0069 0.0001 0.0153 615 HOH A O 17358 O O . HOH Z . ? 0.3234 0.3238 0.3295 -0.0012 -0.0012 0.0016 617 HOH A O 17359 O O . HOH Z . ? 0.2523 0.2874 0.2492 -0.0024 0.0038 0.0050 624 HOH A O 17360 O O . HOH Z . ? 0.3021 0.3329 0.2915 0.0007 0.0056 -0.0052 638 HOH A O 17361 O O . HOH Z . ? 0.2396 0.2751 0.2511 -0.0070 0.0014 0.0170 643 HOH A O 17362 O O . HOH Z . ? 0.3004 0.3189 0.3071 -0.0044 0.0001 0.0091 657 HOH A O 17363 O O . HOH Z . ? 0.3367 0.3249 0.3359 0.0009 0.0003 -0.0037 670 HOH A O 17364 O O . HOH Z . ? 0.3248 0.3460 0.3108 -0.0090 -0.0020 -0.0096 682 HOH A O 17365 O O . HOH Z . ? 0.3082 0.2988 0.3059 -0.0020 0.0006 -0.0048 684 HOH A O 17366 O O . HOH Z . ? 0.3420 0.3556 0.3207 -0.0040 0.0024 -0.0204 696 HOH A O 17367 O O . HOH Z . ? 0.4305 0.4340 0.4349 -0.0020 -0.0005 0.0025 701 HOH A O 17368 O O . HOH Z . ? 0.4578 0.4928 0.4604 -0.0069 -0.0005 0.0165 711 HOH A O 17369 O O . HOH Z . ? 0.4085 0.4396 0.4008 -0.0097 -0.0046 0.0008 724 HOH A O 17370 O O . HOH Z . ? 0.3915 0.3937 0.3803 -0.0065 0.0001 -0.0126 735 HOH A O 17371 O O . HOH Z . ? 0.4088 0.3989 0.4001 0.0032 0.0039 -0.0127 740 HOH A O 17372 O O . HOH Z . ? 0.4439 0.4377 0.4341 -0.0014 0.0024 -0.0126 752 HOH A O 17373 O O . HOH Z . ? 0.3870 0.3911 0.3981 -0.0043 -0.0034 0.0117 753 HOH A O 17374 O O . HOH Z . ? 0.4047 0.4096 0.4144 -0.0040 -0.0032 0.0105 763 HOH A O 17375 O O . HOH Z . ? 0.3789 0.3727 0.3816 -0.0007 -0.0007 -0.0008 766 HOH A O 17376 O O . HOH Z . ? 0.4377 0.4714 0.4182 -0.0016 0.0045 -0.0115 815 HOH A O 17377 O O . HOH Z . ? 0.4025 0.4327 0.3971 0.0092 0.0095 -0.0084 819 HOH A O 17378 O O . HOH Z . ? 0.3935 0.3848 0.3897 0.0059 0.0032 -0.0079 822 HOH A O 17379 O O . HOH Z . ? 0.5148 0.5068 0.5172 -0.0015 -0.0007 -0.0009 826 HOH A O 17380 O O . HOH Z . ? 0.4835 0.4899 0.4957 -0.0058 -0.0031 0.0127 830 HOH A O 17381 O O . HOH Z . ? 0.4898 0.5073 0.5009 -0.0039 -0.0003 0.0083 838 HOH A O 17382 O O . HOH Z . ? 0.3317 0.3493 0.3131 0.0004 0.0049 -0.0171 839 HOH A O 17383 O O . HOH Z . ? 0.6190 0.6037 0.6111 0.0005 0.0027 -0.0114 840 HOH A O 17384 O O . HOH Z . ? 0.4717 0.4657 0.4694 0.0009 0.0014 -0.0049 841 HOH A O 17385 O O . HOH Z . ? 0.3596 0.3530 0.3559 0.0008 0.0018 -0.0062 842 HOH A O 17386 O O . HOH Z . ? 0.3582 0.3467 0.3544 0.0019 0.0018 -0.0065 843 HOH A O 17387 O O . HOH Z . ? 0.3776 0.3643 0.3742 0.0017 0.0015 -0.0059 844 HOH A O 17388 O O . HOH Z . ? 0.4172 0.4043 0.4130 -0.0005 0.0015 -0.0068 845 HOH A O 17389 O O . HOH Z . ? 0.3521 0.3547 0.3378 -0.0033 0.0021 -0.0156 846 HOH A O 17390 O O . HOH Z . ? 0.4802 0.4805 0.4643 -0.0009 0.0035 -0.0186 847 HOH A O 17391 O O . HOH Z . ? 0.4144 0.4204 0.4049 -0.0072 -0.0008 -0.0098 848 HOH A O 17392 O O . HOH Z . ? 0.3983 0.3959 0.3907 -0.0050 0.0004 -0.0096 849 HOH A O 17393 O O . HOH Z . ? 0.4134 0.4014 0.4117 0.0004 0.0007 -0.0043 850 HOH A O 17394 O O . HOH Z . ? 0.4044 0.3986 0.4067 0.0005 -0.0005 -0.0016 851 HOH A O 17395 O O . HOH Z . ? 0.4537 0.4735 0.4324 0.0009 0.0056 -0.0196 852 HOH A O 17396 O O . HOH Z . ? 0.6291 0.6187 0.6166 0.0055 0.0056 -0.0184 853 HOH A O 17397 O O . HOH Z . ? 0.5379 0.5611 0.5430 -0.0062 -0.0025 0.0147 854 HOH A O 17398 O O . HOH Z . ? 0.3684 0.3736 0.3668 0.0114 0.0061 -0.0088 911 HOH A O 17399 O O . HOH Z . ? 0.3930 0.4022 0.3917 0.0125 0.0070 -0.0090 912 HOH A O 17400 O O . HOH Z . ? 0.4609 0.4541 0.4495 0.0003 0.0033 -0.0149 923 HOH A O 17401 O O . HOH Z . ? 0.3866 0.3935 0.3790 -0.0076 -0.0013 -0.0079 925 HOH A O 17402 O O . HOH Z . ? 0.2469 0.2890 0.2530 -0.0065 0.0024 0.0171 934 HOH A O 17403 O O . HOH Z . ? 0.3799 0.3891 0.3590 -0.0049 0.0019 -0.0215 935 HOH A O 17404 O O . HOH Z . ? 0.3585 0.3656 0.3474 -0.0080 -0.0010 -0.0115 943 HOH A O 17405 O O . HOH Z . ? 0.4273 0.4207 0.4324 -0.0019 -0.0013 0.0011 956 HOH A O 17406 O O . HOH Z . ? 0.4481 0.4533 0.4431 0.0114 0.0073 -0.0119 964 HOH A O 17407 O O . HOH Z . ? 0.5203 0.5723 0.5089 -0.0046 0.0036 0.0067 965 HOH A O 17408 O O . HOH Z . ? 0.4234 0.4095 0.4207 0.0029 0.0012 -0.0051 975 HOH A O 17409 O O . HOH Z . ? 0.4399 0.4308 0.4418 -0.0009 -0.0006 -0.0016 986 HOH A O 17410 O O . HOH Z . ? 0.4545 0.4892 0.4476 -0.0081 -0.0034 0.0056 989 HOH A O 17411 O O . HOH Z . ? 0.3665 0.3615 0.3702 -0.0024 -0.0011 0.0006 993 HOH A O 17412 O O . HOH Z . ? 0.3218 0.3490 0.3310 -0.0008 0.0026 0.0066 994 HOH A O 17413 O O . HOH Z . ? 0.3855 0.4165 0.3839 0.0080 0.0084 -0.0048 1001 HOH A O 17414 O O . HOH Z . ? 0.3973 0.3879 0.3909 0.0068 0.0046 -0.0113 1003 HOH A O 17415 O O . HOH Z . ? 0.4465 0.4348 0.4385 0.0064 0.0048 -0.0131 1004 HOH A O 17416 O O . HOH Z . ? 0.5578 0.5486 0.5495 0.0075 0.0054 -0.0139 1005 HOH A O 17417 O O . HOH Z . ? 0.4554 0.4685 0.4364 0.0004 0.0048 -0.0190 1007 HOH A O 17418 O O . HOH Z . ? 0.4193 0.4388 0.3978 0.0029 0.0069 -0.0210 1008 HOH A O 17419 O O . HOH Z . ? 0.4246 0.4187 0.4271 -0.0019 -0.0008 -0.0004 1009 HOH A O 17420 O O . HOH Z . ? 0.4631 0.4580 0.4662 -0.0018 -0.0009 0.0002 1010 HOH A O 17421 O O . HOH Z . ? 0.4569 0.4448 0.4565 -0.0002 0.0001 -0.0033 1011 HOH A O 17422 O O . HOH Z . ? 0.4804 0.5145 0.4714 -0.0094 -0.0042 0.0015 1013 HOH A O 17423 O O . HOH Z . ? 0.5035 0.4996 0.5105 -0.0027 -0.0021 0.0036 1014 HOH A O 17424 O O . HOH Z . ? 0.5776 0.5759 0.5862 -0.0031 -0.0026 0.0063 1015 HOH A O 17425 O O . HOH Z . ? 0.3935 0.4147 0.3824 -0.0101 -0.0032 -0.0073 1017 HOH A O 17426 O O . HOH Z . ? 0.3521 0.3826 0.3341 -0.0070 -0.0002 -0.0093 1018 HOH A O 17427 O O . HOH Z . ? 0.3667 0.3931 0.3475 -0.0064 0.0005 -0.0125 1019 HOH A O 17428 O O . HOH Z . ? 0.4629 0.4587 0.4524 0.0106 0.0076 -0.0178 1020 HOH A O 17429 O O . HOH Z . ? 0.4171 0.4451 0.4220 -0.0067 -0.0015 0.0162 1022 HOH A O 17430 O O . HOH Z . ? 0.4932 0.5201 0.4973 -0.0065 -0.0020 0.0153 1023 HOH A O 17431 O O . HOH Z . ? 0.5159 0.5211 0.5281 -0.0053 -0.0034 0.0129 1024 HOH A O 17432 O O . HOH Z . ? 0.4571 0.4931 0.4627 -0.0007 0.0046 0.0071 1025 HOH A O 17433 O O . HOH Z . ? 0.4422 0.4754 0.4494 -0.0014 0.0037 0.0079 1026 HOH A O 17434 O O . HOH Z . ? 0.4478 0.4799 0.4564 -0.0008 0.0035 0.0073 1027 HOH A O 17435 O O . HOH Z . ? 0.4422 0.4799 0.4432 0.0035 0.0072 0.0013 1028 HOH A O 17436 O O . HOH Z . ? 0.4972 0.5396 0.4979 0.0004 0.0065 0.0052 1029 HOH A O 17437 O O . HOH Z . ? 0.3887 0.3923 0.3816 -0.0075 -0.0011 -0.0084 1201 HOH A O 17438 O O . HOH Z . ? 0.4269 0.4270 0.4175 -0.0064 0.0000 -0.0111 1202 HOH A O 17439 O O . HOH Z . ? 0.3915 0.3895 0.3835 -0.0068 -0.0002 -0.0105 1203 HOH A O 17440 O O . HOH Z . ? 0.4319 0.4426 0.4201 0.0091 0.0084 -0.0166 1266 HOH A O 17441 O O . HOH Z . ? 0.4498 0.4707 0.4415 0.0091 0.0088 -0.0118 1267 HOH A O 17442 O O . HOH Z . ? 0.4680 0.5028 0.4553 0.0004 0.0058 -0.0056 1268 HOH A O 17443 O O . HOH Z . ? 0.5125 0.5591 0.5057 -0.0024 0.0052 0.0056 1269 HOH A O 17444 O O . HOH Z . ? 0.3907 0.4328 0.3876 -0.0042 0.0034 0.0094 1270 HOH A O 17445 O O . HOH Z . ? 0.4254 0.4652 0.4188 -0.0052 0.0015 0.0075 1271 HOH A O 17446 O O . HOH Z . ? 0.5358 0.5820 0.5250 -0.0056 0.0016 0.0063 1272 HOH A O 17447 O O . HOH Z . ? 0.5150 0.5519 0.5056 -0.0068 -0.0011 0.0044 1273 HOH A O 17448 O O . HOH Z . ? 0.5916 0.5898 0.5965 -0.0021 -0.0012 0.0021 1277 HOH A O 17449 O O . HOH Z . ? 0.5101 0.5050 0.5143 -0.0018 -0.0012 0.0010 1278 HOH A O 17450 O O . HOH Z . ? 0.5748 0.5713 0.5805 -0.0025 -0.0017 0.0028 1279 HOH A O 17451 O O . HOH Z . ? 0.4819 0.4928 0.4745 -0.0088 -0.0022 -0.0070 1280 HOH A O 17452 O O . HOH Z . ? 0.5469 0.5753 0.5283 -0.0089 -0.0016 -0.0113 1281 HOH A O 17453 O O . HOH Z . ? 0.5467 0.5837 0.5349 0.0025 0.0074 -0.0062 1282 HOH A O 17454 O O . HOH Z . ? 0.5459 0.5354 0.5362 0.0080 0.0060 -0.0160 1283 HOH A O 17455 O O . HOH Z . ? 0.4834 0.4738 0.4761 0.0091 0.0057 -0.0134 1284 HOH A O 17456 O O . HOH Z . ? 0.5208 0.5186 0.5173 0.0103 0.0054 -0.0097 1285 HOH A O 17457 O O . HOH Z . ? 0.4471 0.4651 0.4566 -0.0059 -0.0009 0.0125 1286 HOH A O 17458 O O . HOH Z . ? 0.4538 0.4730 0.4658 -0.0075 -0.0019 0.0171 1288 HOH A O 17459 O O . HOH Z . ? 0.4015 0.4228 0.4139 -0.0075 -0.0013 0.0162 1289 HOH A O 17460 O O . HOH Z . ? 0.2663 0.2971 0.2670 -0.0061 -0.0006 0.0125 1290 HOH A O 17461 O O . HOH Z . ? 0.4775 0.5052 0.4835 -0.0060 0.0002 0.0139 1291 HOH A O 17462 O O . HOH Z . ? 0.3999 0.4350 0.4012 0.0050 0.0074 -0.0002 1292 HOH A O 17463 O O . HOH Z . ? 0.4812 0.5104 0.4890 0.0023 0.0041 0.0039 1293 HOH A O 17464 O O . HOH Z . ? 0.5476 0.5829 0.5466 0.0065 0.0083 -0.0026 1314 HOH A O 17465 O O . HOH Z . ? 0.3520 0.3614 0.3383 0.0079 0.0080 -0.0180 1380 HOH A O 17466 O O . HOH Z . ? 0.4537 0.4526 0.4376 0.0046 0.0062 -0.0210 1398 HOH A O 17467 O O . HOH Z . ? 0.4557 0.4684 0.4645 -0.0046 -0.0038 0.0129 1399 HOH A O 17468 O O . HOH Z . ? 0.4120 0.4173 0.4232 -0.0033 -0.0026 0.0046 1406 HOH A O 17469 O O . HOH Z . ? 0.4726 0.5022 0.4849 -0.0062 0.0008 0.0143 1407 HOH A O 17470 O O . HOH Z . ? 0.4931 0.4775 0.4856 0.0032 0.0034 -0.0114 1427 HOH A O 17471 O O . HOH Z . ? 0.4139 0.4328 0.3951 -0.0074 -0.0001 -0.0155 1429 HOH A O 17472 O O . HOH Z . ? 0.4481 0.4642 0.4365 -0.0097 -0.0024 -0.0096 1437 HOH A O 17473 O O . HOH Z . ? 0.4182 0.4301 0.4262 -0.0041 -0.0007 0.0077 1441 HOH A O 17474 O O . HOH Z . ? 0.3678 0.4078 0.3669 -0.0070 -0.0004 0.0157 1443 HOH A O 17475 O O . HOH Z . ? 0.4988 0.5142 0.5098 -0.0066 -0.0026 0.0162 1445 HOH A O 17476 O O . HOH Z . ? 0.4591 0.4503 0.4494 0.0006 0.0031 -0.0131 1447 HOH A O 17477 O O . HOH Z . ? 0.5016 0.5372 0.4885 -0.0099 -0.0037 -0.0020 1454 HOH A O 17478 O O . HOH Z . ? 0.3629 0.4034 0.3627 -0.0047 0.0029 0.0114 1457 HOH A O 17479 O O . HOH Z . ? 0.2984 0.3221 0.2931 -0.0106 -0.0048 -0.0020 1459 HOH A O 17480 O O . HOH Z . ? 0.2644 0.2799 0.2476 -0.0040 0.0019 -0.0143 1463 HOH A O 17481 O O . HOH Z . ? 0.4208 0.4321 0.4215 -0.0043 -0.0011 0.0036 1465 HOH A O 17482 O O . HOH Z . ? 0.4991 0.5236 0.4791 -0.0075 -0.0002 -0.0145 1467 HOH A O 17483 O O . HOH Z . ? 0.5225 0.5347 0.5058 0.0078 0.0086 -0.0206 1468 HOH A O 17484 O O . HOH Z . ? 0.4822 0.4692 0.4737 0.0047 0.0043 -0.0132 1469 HOH A O 17485 O O . HOH Z . ? 0.5110 0.5282 0.5213 -0.0054 -0.0007 0.0110 1470 HOH A O 17486 O O . HOH Z . ? 0.6050 0.6445 0.5988 -0.0060 0.0005 0.0088 1471 HOH A O 17487 O O . HOH Z . ? 0.5599 0.5645 0.5683 -0.0039 -0.0017 0.0065 1473 HOH A O 17488 O O . HOH Z . ? 0.3979 0.4397 0.3948 -0.0057 0.0016 0.0119 1474 HOH A O 17489 O O . HOH Z . ? 0.5739 0.6172 0.5698 0.0009 0.0070 0.0023 1475 HOH A O 17490 O O . HOH Z . ? 0.5542 0.5986 0.5470 0.0021 0.0080 -0.0005 1476 HOH A O 17491 O O . HOH Z . ? 0.4727 0.4862 0.4827 -0.0038 -0.0007 0.0075 1478 HOH A O 17492 O O . HOH AA . ? 0.1608 0.1496 0.1602 0.0046 -0.0021 -0.0026 208 HOH B O 17493 O O . HOH AA . ? 0.1398 0.1575 0.1487 0.0039 0.0017 0.0017 209 HOH B O 17494 O O . HOH AA . ? 0.1565 0.1415 0.1520 0.0080 -0.0020 -0.0014 210 HOH B O 17495 O O . HOH AA . ? 0.1037 0.1023 0.1061 0.0118 -0.0037 0.0010 211 HOH B O 17496 O O . HOH AA . ? 0.1419 0.1383 0.1440 0.0020 -0.0078 -0.0025 212 HOH B O 17497 O O . HOH AA . ? 0.1246 0.1228 0.1259 0.0032 0.0011 -0.0028 213 HOH B O 17498 O O . HOH AA . ? 0.2024 0.1999 0.2008 0.0070 0.0034 -0.0064 214 HOH B O 17499 O O . HOH AA . ? 0.1302 0.1130 0.1261 0.0092 -0.0005 -0.0018 215 HOH B O 17500 O O . HOH AA . ? 0.2666 0.2504 0.2644 0.0129 0.0010 -0.0025 216 HOH B O 17501 O O . HOH AA . ? 0.2339 0.2431 0.2405 0.0012 0.0005 0.0014 217 HOH B O 17502 O O . HOH AA . ? 0.3855 0.3702 0.3826 0.0053 0.0011 -0.0048 218 HOH B O 17503 O O . HOH AA . ? 0.2725 0.2987 0.2906 0.0049 -0.0061 0.0047 219 HOH B O 17504 O O . HOH AA . ? 0.1768 0.1671 0.1722 0.0098 -0.0044 0.0006 220 HOH B O 17505 O O . HOH AA . ? 0.2241 0.2126 0.2237 0.0042 -0.0014 -0.0029 221 HOH B O 17506 O O . HOH AA . ? 0.1606 0.1593 0.1615 0.0110 -0.0052 0.0014 222 HOH B O 17507 O O . HOH AA . ? 0.1131 0.1029 0.1111 0.0073 -0.0032 -0.0014 223 HOH B O 17508 O O . HOH AA . ? 0.1137 0.1196 0.1204 0.0154 0.0012 -0.0012 224 HOH B O 17509 O O . HOH AA . ? 0.1442 0.1322 0.1410 0.0084 -0.0027 -0.0011 225 HOH B O 17510 O O . HOH AA . ? 0.1069 0.1033 0.1099 0.0156 -0.0008 0.0001 226 HOH B O 17511 O O . HOH AA . ? 0.2538 0.2365 0.2492 0.0072 -0.0009 -0.0023 227 HOH B O 17512 O O . HOH AA . ? 0.2317 0.2462 0.2423 0.0013 -0.0003 0.0030 228 HOH B O 17513 O O . HOH AA . ? 0.2843 0.2891 0.2849 0.0121 0.0053 -0.0070 229 HOH B O 17514 O O . HOH AA . ? 0.3155 0.3216 0.3155 0.0103 0.0052 -0.0068 230 HOH B O 17515 O O . HOH AA . ? 0.1486 0.1788 0.1659 0.0203 0.0024 0.0022 231 HOH B O 17516 O O . HOH AA . ? 0.1418 0.1324 0.1436 0.0188 0.0020 -0.0021 232 HOH B O 17517 O O . HOH AA . ? 0.1392 0.1356 0.1402 0.0129 -0.0036 0.0014 233 HOH B O 17518 O O . HOH AA . ? 0.1140 0.1104 0.1178 0.0184 0.0009 -0.0008 234 HOH B O 17519 O O . HOH AA . ? 0.2669 0.2664 0.2709 0.0202 0.0045 -0.0049 235 HOH B O 17520 O O . HOH AA . ? 0.2225 0.2087 0.2205 0.0062 -0.0006 -0.0031 236 HOH B O 17521 O O . HOH AA . ? 0.1976 0.1886 0.1987 0.0038 -0.0020 -0.0024 237 HOH B O 17522 O O . HOH AA . ? 0.3276 0.3083 0.3242 0.0130 0.0010 -0.0020 238 HOH B O 17523 O O . HOH AA . ? 0.2774 0.2599 0.2745 0.0114 0.0013 -0.0034 239 HOH B O 17524 O O . HOH AA . ? 0.1155 0.1171 0.1233 0.0005 -0.0028 0.0007 240 HOH B O 17525 O O . HOH AA . ? 0.2473 0.2339 0.2462 0.0133 0.0020 -0.0040 241 HOH B O 17526 O O . HOH AA . ? 0.1883 0.1933 0.1922 0.0045 0.0014 -0.0017 242 HOH B O 17527 O O . HOH AA . ? 0.1924 0.1991 0.1980 0.0024 0.0006 0.0001 243 HOH B O 17528 O O . HOH AA . ? 0.2925 0.2923 0.2971 -0.0001 -0.0006 0.0003 244 HOH B O 17529 O O . HOH AA . ? 0.4622 0.4470 0.4602 0.0033 -0.0004 -0.0037 245 HOH B O 17530 O O . HOH AA . ? 0.2559 0.2441 0.2548 0.0068 -0.0004 -0.0030 246 HOH B O 17531 O O . HOH AA . ? 0.2111 0.2025 0.2134 0.0021 -0.0025 -0.0022 247 HOH B O 17532 O O . HOH AA . ? 0.2274 0.2108 0.2240 0.0060 -0.0001 -0.0034 248 HOH B O 17533 O O . HOH AA . ? 0.3047 0.3164 0.3065 0.0135 0.0065 -0.0069 249 HOH B O 17534 O O . HOH AA . ? 0.2606 0.2780 0.2632 0.0108 0.0062 -0.0050 250 HOH B O 17535 O O . HOH AA . ? 0.2218 0.2101 0.2216 0.0150 0.0026 -0.0044 251 HOH B O 17536 O O . HOH AA . ? 0.1883 0.1884 0.1913 0.0176 0.0046 -0.0056 252 HOH B O 17537 O O . HOH AA . ? 0.1607 0.1443 0.1576 0.0068 0.0005 -0.0037 253 HOH B O 17538 O O . HOH AA . ? 0.1657 0.1737 0.1731 0.0231 0.0054 -0.0042 254 HOH B O 17539 O O . HOH AA . ? 0.2475 0.2324 0.2449 0.0030 -0.0027 -0.0037 255 HOH B O 17540 O O . HOH AA . ? 0.2418 0.2361 0.2404 0.0061 0.0025 -0.0057 256 HOH B O 17541 O O . HOH AA . ? 0.3173 0.3007 0.3115 0.0106 -0.0018 0.0004 257 HOH B O 17542 O O . HOH AA . ? 0.1347 0.1264 0.1357 0.0046 -0.0027 -0.0022 258 HOH B O 17543 O O . HOH AA . ? 0.1183 0.1198 0.1232 0.0096 -0.0025 -0.0001 259 HOH B O 17544 O O . HOH AA . ? 0.1063 0.1096 0.1120 0.0115 -0.0015 -0.0001 260 HOH B O 17545 O O . HOH AA . ? 0.1652 0.1527 0.1615 0.0099 -0.0026 -0.0002 262 HOH B O 17546 O O . HOH AA . ? 0.1408 0.1297 0.1399 0.0064 -0.0015 -0.0024 281 HOH B O 17547 O O . HOH AA . ? 0.1897 0.2005 0.1952 0.0053 -0.0108 0.0012 289 HOH B O 17548 O O . HOH AA . ? 0.1554 0.1621 0.1666 -0.0001 -0.0050 0.0016 298 HOH B O 17549 O O . HOH AA . ? 0.1782 0.1718 0.1799 0.0056 -0.0022 -0.0019 304 HOH B O 17550 O O . HOH AA . ? 0.1735 0.1623 0.1696 0.0110 -0.0033 0.0008 306 HOH B O 17551 O O . HOH AA . ? 0.1487 0.1750 0.1677 0.0026 -0.0063 0.0050 315 HOH B O 17552 O O . HOH AA . ? 0.1617 0.1787 0.1735 0.0172 -0.0042 0.0044 316 HOH B O 17553 O O . HOH AA . ? 0.1875 0.1875 0.1869 0.0082 0.0037 -0.0061 320 HOH B O 17554 O O . HOH AA . ? 0.1856 0.1736 0.1844 0.0083 0.0001 -0.0031 326 HOH B O 17555 O O . HOH AA . ? 0.1898 0.1824 0.1913 0.0049 -0.0016 -0.0022 327 HOH B O 17556 O O . HOH AA . ? 0.1473 0.1607 0.1580 0.0218 0.0027 -0.0005 331 HOH B O 17557 O O . HOH AA . ? 0.2499 0.2501 0.2500 0.0142 0.0055 -0.0079 332 HOH B O 17558 O O . HOH AA . ? 0.1555 0.1416 0.1527 0.0035 -0.0034 -0.0035 340 HOH B O 17559 O O . HOH AA . ? 0.1703 0.2035 0.1830 0.0065 0.0042 0.0033 346 HOH B O 17560 O O . HOH AA . ? 0.2322 0.2636 0.2452 0.0179 0.0064 -0.0011 349 HOH B O 17561 O O . HOH AA . ? 0.2420 0.2537 0.2550 -0.0032 -0.0121 0.0003 351 HOH B O 17562 O O . HOH AA . ? 0.1926 0.1944 0.1989 0.0213 -0.0012 0.0027 363 HOH B O 17563 O O . HOH AA . ? 0.2321 0.2695 0.2499 0.0175 0.0046 0.0019 373 HOH B O 17564 O O . HOH AA . ? 0.4274 0.4294 0.4365 -0.0022 -0.0024 0.0029 423 HOH B O 17565 O O . HOH AA . ? 0.3793 0.3949 0.3921 -0.0013 -0.0124 0.0011 424 HOH B O 17566 O O . HOH AA . ? 0.3528 0.3613 0.3659 -0.0023 -0.0083 0.0015 425 HOH B O 17567 O O . HOH AA . ? 0.2257 0.2295 0.2344 0.0003 -0.0076 -0.0001 426 HOH B O 17568 O O . HOH AA . ? 0.1662 0.1602 0.1664 0.0177 -0.0032 0.0038 427 HOH B O 17569 O O . HOH AA . ? 0.2165 0.2394 0.2315 0.0132 -0.0030 0.0036 428 HOH B O 17570 O O . HOH AA . ? 0.3491 0.3765 0.3663 0.0114 -0.0026 0.0041 429 HOH B O 17571 O O . HOH AA . ? 0.2097 0.2458 0.2304 0.0119 -0.0011 0.0052 430 HOH B O 17572 O O . HOH AA . ? 0.1681 0.2034 0.1877 0.0122 0.0003 0.0045 431 HOH B O 17573 O O . HOH AA . ? 0.1783 0.2096 0.1958 0.0110 0.0006 0.0037 432 HOH B O 17574 O O . HOH AA . ? 0.2035 0.2375 0.2207 0.0066 0.0018 0.0048 433 HOH B O 17575 O O . HOH AA . ? 0.1917 0.2384 0.2178 0.0064 -0.0013 0.0084 434 HOH B O 17576 O O . HOH AA . ? 0.2412 0.2763 0.2593 0.0029 0.0012 0.0067 435 HOH B O 17577 O O . HOH AA . ? 0.2729 0.3033 0.2892 0.0012 0.0009 0.0066 436 HOH B O 17578 O O . HOH AA . ? 0.2085 0.1919 0.2055 0.0090 0.0011 -0.0039 437 HOH B O 17579 O O . HOH AA . ? 0.2412 0.2273 0.2392 0.0105 0.0020 -0.0049 438 HOH B O 17580 O O . HOH AA . ? 0.2400 0.2299 0.2394 0.0126 0.0027 -0.0052 439 HOH B O 17581 O O . HOH AA . ? 0.2916 0.3193 0.3067 0.0221 0.0046 0.0000 440 HOH B O 17582 O O . HOH AA . ? 0.2012 0.2162 0.2133 0.0248 0.0032 -0.0001 441 HOH B O 17583 O O . HOH AA . ? 0.2382 0.2465 0.2470 0.0232 0.0035 -0.0017 442 HOH B O 17584 O O . HOH AA . ? 0.2247 0.2388 0.2356 0.0281 0.0064 -0.0035 443 HOH B O 17585 O O . HOH AA . ? 0.1598 0.1710 0.1652 0.0213 0.0073 -0.0068 444 HOH B O 17586 O O . HOH AA . ? 0.3264 0.3215 0.3252 0.0099 0.0037 -0.0068 445 HOH B O 17587 O O . HOH AA . ? 0.2419 0.2354 0.2435 0.0014 -0.0002 -0.0022 446 HOH B O 17588 O O . HOH AA . ? 0.2321 0.2214 0.2337 0.0018 -0.0022 -0.0026 447 HOH B O 17589 O O . HOH AA . ? 0.3043 0.2882 0.3021 0.0028 -0.0009 -0.0037 448 HOH B O 17590 O O . HOH AA . ? 0.3146 0.2967 0.3103 0.0039 -0.0009 -0.0036 449 HOH B O 17591 O O . HOH AA . ? 0.2877 0.3239 0.2991 0.0101 0.0064 0.0012 450 HOH B O 17592 O O . HOH AA . ? 0.3228 0.3554 0.3320 0.0046 0.0050 0.0031 451 HOH B O 17593 O O . HOH AA . ? 0.2467 0.2659 0.2557 0.0026 0.0018 0.0026 452 HOH B O 17594 O O . HOH AA . ? 0.2501 0.2820 0.2615 0.0174 0.0074 -0.0020 453 HOH B O 17595 O O . HOH AA . ? 0.3891 0.4262 0.4104 0.0161 -0.0008 0.0052 454 HOH B O 17596 O O . HOH AA . ? 0.3550 0.3616 0.3640 0.0236 -0.0008 0.0032 455 HOH B O 17597 O O . HOH AA . ? 0.2637 0.2497 0.2633 0.0165 0.0020 -0.0029 456 HOH B O 17598 O O . HOH AA . ? 0.2011 0.1893 0.2015 0.0171 0.0027 -0.0038 457 HOH B O 17599 O O . HOH AA . ? 0.1873 0.2171 0.2070 0.0000 -0.0020 0.0072 458 HOH B O 17600 O O . HOH AA . ? 0.3004 0.3131 0.3186 -0.0065 -0.0051 0.0073 459 HOH B O 17601 O O . HOH AA . ? 0.3053 0.3120 0.3213 -0.0061 -0.0051 0.0061 460 HOH B O 17602 O O . HOH AA . ? 0.2927 0.2983 0.3046 -0.0018 -0.0062 0.0016 461 HOH B O 17603 O O . HOH AA . ? 0.1930 0.2068 0.2088 -0.0030 -0.0046 0.0049 462 HOH B O 17604 O O . HOH AA . ? 0.2246 0.2463 0.2371 0.0090 -0.0095 0.0044 463 HOH B O 17605 O O . HOH AA . ? 0.3164 0.3349 0.3274 0.0050 -0.0110 0.0028 464 HOH B O 17606 O O . HOH AA . ? 0.3348 0.3486 0.3413 0.0122 -0.0091 0.0044 465 HOH B O 17607 O O . HOH AA . ? 0.2774 0.2682 0.2793 -0.0012 -0.0087 -0.0050 466 HOH B O 17608 O O . HOH AA . ? 0.3118 0.3065 0.3139 0.0189 0.0043 -0.0055 606 HOH B O 17609 O O . HOH AA . ? 0.4030 0.3959 0.4032 0.0153 0.0041 -0.0063 607 HOH B O 17610 O O . HOH AA . ? 0.1746 0.1629 0.1751 0.0192 -0.0002 0.0014 612 HOH B O 17611 O O . HOH AA . ? 0.2038 0.2189 0.2166 0.0257 0.0022 0.0011 614 HOH B O 17612 O O . HOH AA . ? 0.2794 0.2627 0.2746 0.0090 -0.0012 -0.0012 618 HOH B O 17613 O O . HOH AA . ? 0.2947 0.2826 0.2938 0.0033 -0.0001 -0.0036 625 HOH B O 17614 O O . HOH AA . ? 0.3061 0.3231 0.3184 0.0168 -0.0027 0.0033 628 HOH B O 17615 O O . HOH AA . ? 0.2503 0.2923 0.2755 0.0041 -0.0031 0.0081 630 HOH B O 17616 O O . HOH AA . ? 0.3109 0.2931 0.3071 0.0050 0.0001 -0.0037 635 HOH B O 17617 O O . HOH AA . ? 0.2057 0.2127 0.2139 0.0249 0.0050 -0.0033 637 HOH B O 17618 O O . HOH AA . ? 0.3319 0.3579 0.3433 0.0201 0.0066 -0.0027 639 HOH B O 17619 O O . HOH AA . ? 0.2688 0.2623 0.2727 0.0223 0.0021 -0.0011 644 HOH B O 17620 O O . HOH AA . ? 0.2619 0.2739 0.2677 0.0075 -0.0102 0.0023 645 HOH B O 17621 O O . HOH AA . ? 0.2657 0.2503 0.2613 0.0105 -0.0016 -0.0003 647 HOH B O 17622 O O . HOH AA . ? 0.2967 0.3231 0.3139 0.0047 -0.0095 0.0046 648 HOH B O 17623 O O . HOH AA . ? 0.3437 0.3399 0.3435 0.0168 -0.0045 0.0044 658 HOH B O 17624 O O . HOH AA . ? 0.3325 0.3267 0.3376 0.0005 -0.0041 -0.0013 671 HOH B O 17625 O O . HOH AA . ? 0.3928 0.4142 0.3979 0.0165 0.0079 -0.0059 691 HOH B O 17626 O O . HOH AA . ? 0.3688 0.3578 0.3702 0.0006 -0.0057 -0.0037 697 HOH B O 17627 O O . HOH AA . ? 0.3764 0.3655 0.3751 0.0038 0.0008 -0.0043 703 HOH B O 17628 O O . HOH AA . ? 0.3449 0.3602 0.3531 0.0153 -0.0079 0.0056 705 HOH B O 17629 O O . HOH AA . ? 0.4318 0.4177 0.4266 0.0116 -0.0026 0.0012 706 HOH B O 17630 O O . HOH AA . ? 0.3318 0.3646 0.3492 0.0204 0.0038 0.0016 710 HOH B O 17631 O O . HOH AA . ? 0.3150 0.3498 0.3370 0.0063 -0.0061 0.0064 712 HOH B O 17632 O O . HOH AA . ? 0.3143 0.3292 0.3253 -0.0005 -0.0004 0.0043 713 HOH B O 17633 O O . HOH AA . ? 0.4232 0.4215 0.4240 0.0154 0.0051 -0.0072 718 HOH B O 17634 O O . HOH AA . ? 0.2888 0.3079 0.3084 -0.0042 -0.0081 0.0050 723 HOH B O 17635 O O . HOH AA . ? 0.3544 0.3434 0.3560 -0.0003 -0.0069 -0.0044 731 HOH B O 17636 O O . HOH AA . ? 0.3689 0.3982 0.3897 0.0017 -0.0056 0.0059 733 HOH B O 17637 O O . HOH AA . ? 0.3337 0.3300 0.3384 0.0223 -0.0001 0.0019 738 HOH B O 17638 O O . HOH AA . ? 0.3514 0.3348 0.3489 0.0160 -0.0003 0.0009 743 HOH B O 17639 O O . HOH AA . ? 0.3108 0.3072 0.3135 -0.0018 -0.0111 -0.0047 746 HOH B O 17640 O O . HOH AA . ? 0.3889 0.4053 0.3971 0.0082 -0.0106 0.0033 756 HOH B O 17641 O O . HOH AA . ? 0.2940 0.2843 0.2967 0.0011 -0.0036 -0.0024 759 HOH B O 17642 O O . HOH AA . ? 0.3960 0.3871 0.3937 0.0073 0.0028 -0.0066 761 HOH B O 17643 O O . HOH AA . ? 0.3647 0.3585 0.3624 0.0081 0.0035 -0.0072 768 HOH B O 17644 O O . HOH AA . ? 0.3808 0.3680 0.3784 0.0046 0.0014 -0.0052 777 HOH B O 17645 O O . HOH AA . ? 0.3602 0.3413 0.3566 0.0134 0.0003 -0.0008 780 HOH B O 17646 O O . HOH AA . ? 0.3942 0.4312 0.4161 0.0003 -0.0009 0.0087 789 HOH B O 17647 O O . HOH AA . ? 0.3763 0.3564 0.3714 0.0092 0.0002 -0.0021 794 HOH B O 17648 O O . HOH AA . ? 0.3877 0.3867 0.3867 0.0103 0.0044 -0.0073 817 HOH B O 17649 O O . HOH AA . ? 0.4090 0.4287 0.4199 0.0071 -0.0107 0.0036 823 HOH B O 17650 O O . HOH AA . ? 0.4140 0.4244 0.4256 0.0278 0.0028 0.0007 824 HOH B O 17651 O O . HOH AA . ? 0.3634 0.3702 0.3766 -0.0028 -0.0074 0.0018 825 HOH B O 17652 O O . HOH AA . ? 0.4284 0.4637 0.4473 0.0005 0.0008 0.0082 827 HOH B O 17653 O O . HOH AA . ? 0.3595 0.3431 0.3556 0.0114 -0.0009 -0.0005 828 HOH B O 17654 O O . HOH AA . ? 0.3062 0.3358 0.3284 -0.0023 -0.0044 0.0078 829 HOH B O 17655 O O . HOH AA . ? 0.3601 0.3661 0.3701 -0.0036 -0.0121 -0.0014 855 HOH B O 17656 O O . HOH AA . ? 0.4708 0.4559 0.4691 0.0022 -0.0033 -0.0040 856 HOH B O 17657 O O . HOH AA . ? 0.3682 0.4064 0.3820 0.0081 0.0053 0.0034 857 HOH B O 17658 O O . HOH AA . ? 0.3454 0.3665 0.3608 0.0266 0.0019 0.0024 858 HOH B O 17659 O O . HOH AA . ? 0.3485 0.3325 0.3457 0.0140 -0.0004 0.0000 859 HOH B O 17660 O O . HOH AA . ? 0.4603 0.4861 0.4732 0.0004 0.0013 0.0060 860 HOH B O 17661 O O . HOH AA . ? 0.4592 0.4610 0.4751 -0.0069 -0.0074 0.0037 861 HOH B O 17662 O O . HOH AA . ? 0.2853 0.3115 0.3064 -0.0032 -0.0113 0.0047 862 HOH B O 17663 O O . HOH AA . ? 0.4444 0.4406 0.4488 -0.0020 -0.0102 -0.0039 863 HOH B O 17664 O O . HOH AA . ? 0.4834 0.4702 0.4818 0.0135 0.0034 -0.0063 905 HOH B O 17665 O O . HOH AA . ? 0.4259 0.4208 0.4303 0.0225 0.0010 0.0006 907 HOH B O 17666 O O . HOH AA . ? 0.4531 0.4606 0.4710 -0.0074 -0.0068 0.0057 917 HOH B O 17667 O O . HOH AA . ? 0.3044 0.3126 0.3138 0.0279 0.0057 -0.0035 924 HOH B O 17668 O O . HOH AA . ? 0.4377 0.4243 0.4346 0.0040 0.0017 -0.0058 927 HOH B O 17669 O O . HOH AA . ? 0.2988 0.2872 0.2980 0.0054 -0.0011 -0.0029 932 HOH B O 17670 O O . HOH AA . ? 0.2575 0.2803 0.2753 -0.0029 -0.0131 0.0029 933 HOH B O 17671 O O . HOH AA . ? 0.4105 0.4213 0.4213 0.0269 0.0043 -0.0014 939 HOH B O 17672 O O . HOH AA . ? 0.3251 0.3563 0.3316 0.0056 0.0058 0.0012 941 HOH B O 17673 O O . HOH AA . ? 0.4251 0.4065 0.4211 0.0066 0.0011 -0.0043 952 HOH B O 17674 O O . HOH AA . ? 0.4054 0.3849 0.4013 0.0105 0.0013 -0.0033 960 HOH B O 17675 O O . HOH AA . ? 0.4529 0.4752 0.4748 -0.0057 -0.0092 0.0058 963 HOH B O 17676 O O . HOH AA . ? 0.4527 0.4784 0.4706 -0.0017 -0.0015 0.0074 966 HOH B O 17677 O O . HOH AA . ? 0.4867 0.5040 0.5014 -0.0046 -0.0016 0.0086 967 HOH B O 17678 O O . HOH AA . ? 0.3812 0.4020 0.4021 -0.0070 -0.0044 0.0097 968 HOH B O 17679 O O . HOH AA . ? 0.4590 0.4756 0.4786 -0.0056 -0.0081 0.0051 969 HOH B O 17680 O O . HOH AA . ? 0.3653 0.3979 0.3846 0.0138 -0.0013 0.0046 972 HOH B O 17681 O O . HOH AA . ? 0.3691 0.3704 0.3752 0.0243 0.0049 -0.0041 980 HOH B O 17682 O O . HOH AA . ? 0.2692 0.3097 0.2920 0.0139 -0.0010 0.0060 982 HOH B O 17683 O O . HOH AA . ? 0.4520 0.4720 0.4531 0.0115 0.0075 -0.0063 987 HOH B O 17684 O O . HOH AA . ? 0.3870 0.4045 0.3993 -0.0030 -0.0006 0.0072 988 HOH B O 17685 O O . HOH AA . ? 0.4526 0.4313 0.4482 0.0114 0.0010 -0.0022 996 HOH B O 17686 O O . HOH AA . ? 0.2704 0.3161 0.2934 0.0163 0.0029 0.0050 998 HOH B O 17687 O O . HOH AA . ? 0.4330 0.4596 0.4340 0.0096 0.0079 -0.0048 1002 HOH B O 17688 O O . HOH AA . ? 0.4143 0.4111 0.4180 0.0001 -0.0007 -0.0005 1012 HOH B O 17689 O O . HOH AA . ? 0.4913 0.5234 0.4940 0.0066 0.0072 -0.0012 1030 HOH B O 17690 O O . HOH AA . ? 0.3439 0.3617 0.3550 -0.0013 0.0001 0.0055 1031 HOH B O 17691 O O . HOH AA . ? 0.3186 0.3351 0.3273 0.0001 0.0010 0.0038 1032 HOH B O 17692 O O . HOH AA . ? 0.6194 0.6355 0.6385 -0.0067 -0.0116 0.0030 1033 HOH B O 17693 O O . HOH AA . ? 0.4751 0.4947 0.4946 -0.0068 -0.0137 0.0025 1034 HOH B O 17694 O O . HOH AA . ? 0.4818 0.4797 0.4890 -0.0024 -0.0093 -0.0023 1035 HOH B O 17695 O O . HOH AA . ? 0.4329 0.4229 0.4292 0.0132 -0.0037 0.0024 1036 HOH B O 17696 O O . HOH AA . ? 0.4202 0.4108 0.4183 0.0164 -0.0031 0.0036 1037 HOH B O 17697 O O . HOH AA . ? 0.5456 0.5345 0.5424 0.0147 -0.0030 0.0029 1038 HOH B O 17698 O O . HOH AA . ? 0.4668 0.4704 0.4695 0.0158 -0.0060 0.0045 1039 HOH B O 17699 O O . HOH AA . ? 0.4774 0.5200 0.4969 0.0097 0.0035 0.0052 1041 HOH B O 17700 O O . HOH AA . ? 0.4183 0.4552 0.4343 0.0173 0.0058 0.0008 1042 HOH B O 17701 O O . HOH AA . ? 0.3561 0.3522 0.3618 0.0007 -0.0048 -0.0011 1043 HOH B O 17702 O O . HOH AA . ? 0.6005 0.5853 0.5967 0.0086 0.0031 -0.0075 1044 HOH B O 17703 O O . HOH AA . ? 0.5344 0.5198 0.5308 0.0065 0.0025 -0.0067 1045 HOH B O 17704 O O . HOH AA . ? 0.5913 0.5735 0.5875 0.0055 0.0013 -0.0049 1046 HOH B O 17705 O O . HOH AA . ? 0.4213 0.4123 0.4198 0.0096 0.0030 -0.0062 1047 HOH B O 17706 O O . HOH AA . ? 0.5470 0.5330 0.5443 0.0100 0.0028 -0.0064 1048 HOH B O 17707 O O . HOH AA . ? 0.4799 0.4727 0.4827 0.0009 -0.0012 -0.0016 1050 HOH B O 17708 O O . HOH AA . ? 0.5481 0.5422 0.5511 0.0006 -0.0009 -0.0013 1051 HOH B O 17709 O O . HOH AA . ? 0.3887 0.3771 0.3904 0.0013 -0.0029 -0.0028 1052 HOH B O 17710 O O . HOH AA . ? 0.4573 0.4436 0.4565 0.0023 -0.0031 -0.0035 1053 HOH B O 17711 O O . HOH AA . ? 0.4218 0.4574 0.4295 0.0097 0.0075 -0.0004 1054 HOH B O 17712 O O . HOH AA . ? 0.4613 0.4557 0.4652 0.0009 -0.0017 -0.0012 1056 HOH B O 17713 O O . HOH AA . ? 0.4438 0.4714 0.4511 0.0169 0.0083 -0.0046 1057 HOH B O 17714 O O . HOH AA . ? 0.3277 0.3559 0.3452 0.0139 -0.0026 0.0044 1058 HOH B O 17715 O O . HOH AA . ? 0.4685 0.4939 0.4843 0.0169 -0.0049 0.0056 1060 HOH B O 17716 O O . HOH AA . ? 0.3952 0.4061 0.4064 0.0248 0.0002 0.0028 1061 HOH B O 17717 O O . HOH AA . ? 0.4360 0.4475 0.4460 0.0204 -0.0024 0.0038 1062 HOH B O 17718 O O . HOH AA . ? 0.3478 0.3322 0.3463 0.0144 0.0017 -0.0032 1063 HOH B O 17719 O O . HOH AA . ? 0.4253 0.4563 0.4473 -0.0022 -0.0032 0.0084 1064 HOH B O 17720 O O . HOH AA . ? 0.4837 0.5086 0.4984 -0.0008 0.0001 0.0068 1065 HOH B O 17721 O O . HOH AA . ? 0.4776 0.4904 0.4975 -0.0076 -0.0072 0.0065 1066 HOH B O 17722 O O . HOH AA . ? 0.4079 0.4191 0.4263 -0.0067 -0.0083 0.0045 1068 HOH B O 17723 O O . HOH AA . ? 0.5003 0.5116 0.5179 -0.0059 -0.0089 0.0035 1069 HOH B O 17724 O O . HOH AA . ? 0.4371 0.4718 0.4600 0.0028 -0.0051 0.0069 1071 HOH B O 17725 O O . HOH AA . ? 0.4694 0.4998 0.4878 0.0081 -0.0087 0.0057 1072 HOH B O 17726 O O . HOH AA . ? 0.4567 0.4663 0.4605 0.0102 -0.0092 0.0031 1073 HOH B O 17727 O O . HOH AA . ? 0.3581 0.3579 0.3565 0.0019 -0.0113 -0.0035 1075 HOH B O 17728 O O . HOH AA . ? 0.5186 0.5179 0.5189 0.0007 -0.0112 -0.0038 1077 HOH B O 17729 O O . HOH AA . ? 0.4343 0.4151 0.4293 0.0045 -0.0003 -0.0034 1100 HOH B O 17730 O O . HOH AA . ? 0.4486 0.4293 0.4438 0.0050 0.0000 -0.0034 1101 HOH B O 17731 O O . HOH AA . ? 0.4370 0.4201 0.4339 0.0039 0.0000 -0.0039 1102 HOH B O 17732 O O . HOH AA . ? 0.5070 0.5192 0.5220 -0.0057 -0.0132 0.0004 1294 HOH B O 17733 O O . HOH AA . ? 0.4569 0.4578 0.4667 -0.0030 -0.0091 -0.0009 1295 HOH B O 17734 O O . HOH AA . ? 0.5032 0.4962 0.5067 -0.0022 -0.0098 -0.0048 1296 HOH B O 17735 O O . HOH AA . ? 0.4329 0.4271 0.4312 0.0149 -0.0044 0.0035 1297 HOH B O 17736 O O . HOH AA . ? 0.4031 0.3880 0.3973 0.0129 -0.0026 0.0024 1298 HOH B O 17737 O O . HOH AA . ? 0.5400 0.5727 0.5597 0.0145 -0.0031 0.0054 1299 HOH B O 17738 O O . HOH AA . ? 0.4184 0.4617 0.4431 0.0123 -0.0025 0.0071 1300 HOH B O 17739 O O . HOH AA . ? 0.4372 0.4169 0.4326 0.0090 0.0008 -0.0030 1301 HOH B O 17740 O O . HOH AA . ? 0.5697 0.5490 0.5650 0.0078 0.0011 -0.0038 1302 HOH B O 17741 O O . HOH AA . ? 0.5747 0.5554 0.5706 0.0077 0.0017 -0.0049 1303 HOH B O 17742 O O . HOH AA . ? 0.3843 0.4186 0.4040 0.0219 0.0019 0.0035 1305 HOH B O 17743 O O . HOH AA . ? 0.4813 0.5125 0.5004 0.0247 0.0019 0.0033 1306 HOH B O 17744 O O . HOH AA . ? 0.4542 0.4443 0.4566 0.0011 -0.0021 -0.0021 1307 HOH B O 17745 O O . HOH AA . ? 0.3929 0.4322 0.4074 0.0060 0.0048 0.0049 1308 HOH B O 17746 O O . HOH AA . ? 0.5079 0.5437 0.5211 0.0042 0.0041 0.0051 1309 HOH B O 17747 O O . HOH AA . ? 0.5863 0.6234 0.5996 0.0023 0.0041 0.0066 1310 HOH B O 17748 O O . HOH AA . ? 0.4769 0.5106 0.4830 0.0121 0.0085 -0.0027 1312 HOH B O 17749 O O . HOH AA . ? 0.5710 0.6010 0.5736 0.0081 0.0075 -0.0025 1313 HOH B O 17750 O O . HOH AA . ? 0.5119 0.5035 0.5160 0.0003 -0.0044 -0.0020 1315 HOH B O 17751 O O . HOH AA . ? 0.4246 0.4170 0.4284 0.0006 -0.0023 -0.0014 1316 HOH B O 17752 O O . HOH AA . ? 0.4881 0.5041 0.4906 0.0147 0.0074 -0.0070 1317 HOH B O 17753 O O . HOH AA . ? 0.4669 0.4885 0.4706 0.0146 0.0079 -0.0060 1318 HOH B O 17754 O O . HOH AA . ? 0.3528 0.3965 0.3735 0.0173 0.0045 0.0034 1319 HOH B O 17755 O O . HOH AA . ? 0.5644 0.5524 0.5659 0.0207 0.0012 -0.0002 1320 HOH B O 17756 O O . HOH AA . ? 0.4137 0.3979 0.4125 0.0185 0.0000 0.0014 1321 HOH B O 17757 O O . HOH AA . ? 0.5536 0.5910 0.5780 -0.0021 -0.0027 0.0098 1322 HOH B O 17758 O O . HOH AA . ? 0.4837 0.4958 0.5030 -0.0080 -0.0053 0.0087 1323 HOH B O 17759 O O . HOH AA . ? 0.5543 0.5614 0.5682 -0.0042 -0.0093 0.0012 1324 HOH B O 17760 O O . HOH AA . ? 0.5916 0.6090 0.6134 -0.0080 -0.0090 0.0061 1325 HOH B O 17761 O O . HOH AA . ? 0.4809 0.5069 0.4955 0.0110 -0.0093 0.0056 1326 HOH B O 17762 O O . HOH AA . ? 0.5420 0.5278 0.5408 0.0154 0.0034 -0.0057 1363 HOH B O 17763 O O . HOH AA . ? 0.4684 0.4492 0.4663 0.0163 0.0018 -0.0022 1364 HOH B O 17764 O O . HOH AA . ? 0.5341 0.5180 0.5333 0.0185 0.0009 -0.0001 1365 HOH B O 17765 O O . HOH AA . ? 0.5503 0.5338 0.5498 0.0187 0.0018 -0.0016 1366 HOH B O 17766 O O . HOH AA . ? 0.5206 0.5104 0.5219 0.0197 0.0039 -0.0048 1367 HOH B O 17767 O O . HOH AA . ? 0.5175 0.5064 0.5195 0.0211 0.0023 -0.0018 1368 HOH B O 17768 O O . HOH AA . ? 0.4694 0.4639 0.4744 0.0247 0.0009 0.0016 1370 HOH B O 17769 O O . HOH AA . ? 0.3925 0.3886 0.3963 0.0211 0.0037 -0.0037 1374 HOH B O 17770 O O . HOH AA . ? 0.5221 0.5275 0.5311 0.0262 0.0034 -0.0011 1376 HOH B O 17771 O O . HOH AA . ? 0.4307 0.4434 0.4314 0.0120 0.0066 -0.0071 1379 HOH B O 17772 O O . HOH AA . ? 0.3586 0.3662 0.3721 -0.0045 -0.0032 0.0061 1382 HOH B O 17773 O O . HOH AA . ? 0.3236 0.3635 0.3477 0.0078 -0.0057 0.0072 1386 HOH B O 17774 O O . HOH AA . ? 0.4659 0.4757 0.4694 0.0048 -0.0117 0.0005 1388 HOH B O 17775 O O . HOH AA . ? 0.5045 0.5288 0.5029 0.0107 0.0086 -0.0074 1391 HOH B O 17776 O O . HOH AA . ? 0.4486 0.4342 0.4447 0.0145 -0.0021 0.0024 1395 HOH B O 17777 O O . HOH AA . ? 0.3957 0.3870 0.3961 0.0161 0.0036 -0.0056 1396 HOH B O 17778 O O . HOH AA . ? 0.3757 0.3769 0.3860 -0.0025 -0.0078 -0.0001 1397 HOH B O 17779 O O . HOH AA . ? 0.4677 0.4561 0.4692 0.0011 -0.0017 -0.0026 1416 HOH B O 17780 O O . HOH AA . ? 0.4644 0.4958 0.4754 0.0024 0.0036 0.0050 1435 HOH B O 17781 O O . HOH AA . ? 0.4104 0.4297 0.4237 0.0149 -0.0029 0.0033 1446 HOH B O 17782 O O . HOH AA . ? 0.3991 0.3913 0.4018 0.0015 -0.0017 -0.0019 1452 HOH B O 17783 O O . HOH AA . ? 0.3853 0.4134 0.4078 -0.0027 -0.0070 0.0068 1456 HOH B O 17784 O O . HOH AA . ? 0.4126 0.4391 0.4353 -0.0051 -0.0054 0.0084 1458 HOH B O 17785 O O . HOH AA . ? 0.4489 0.4567 0.4496 0.0041 0.0031 -0.0033 1462 HOH B O 17786 O O . HOH AA . ? 0.3639 0.3752 0.3720 0.0006 -0.0124 -0.0002 1479 HOH B O 17787 O O . HOH AA . ? 0.3644 0.3712 0.3704 0.0003 -0.0118 -0.0014 1480 HOH B O 17788 O O . HOH AA . ? 0.5082 0.5347 0.5247 0.0150 -0.0046 0.0051 1481 HOH B O 17789 O O . HOH AA . ? 0.5824 0.6119 0.6005 0.0154 -0.0037 0.0052 1482 HOH B O 17790 O O . HOH AA . ? 0.5413 0.5803 0.5608 0.0051 0.0018 0.0065 1483 HOH B O 17791 O O . HOH AA . ? 0.3559 0.3479 0.3600 0.0001 -0.0053 -0.0023 1484 HOH B O 17792 O O . HOH AA . ? 0.5032 0.4986 0.5082 -0.0007 -0.0016 0.0002 1485 HOH B O 17793 O O . HOH AA . ? 0.4247 0.4423 0.4373 0.0187 -0.0028 0.0040 1486 HOH B O 17794 O O . HOH AA . ? 0.5447 0.5415 0.5540 -0.0027 -0.0066 -0.0003 1487 HOH B O 17795 O O . HOH AA . ? 0.5593 0.5741 0.5796 -0.0075 -0.0098 0.0046 1488 HOH B O 17796 O O . HOH AA . ? 0.4778 0.5092 0.5006 -0.0004 -0.0066 0.0068 1489 HOH B O 17797 O O . HOH AA . ? 0.5514 0.5618 0.5682 -0.0066 -0.0111 0.0019 1490 HOH B O 17798 O O . HOH AA . ? 0.5460 0.5722 0.5622 0.0050 -0.0106 0.0044 1491 HOH B O 17799 O O . HOH BA . ? 0.1851 0.1827 0.1824 0.0031 -0.0099 -0.0031 208 HOH C O 17800 O O . HOH BA . ? 0.1378 0.1233 0.1183 0.0065 -0.0025 -0.0018 209 HOH C O 17801 O O . HOH BA . ? 0.1756 0.1681 0.1740 0.0026 -0.0074 -0.0036 210 HOH C O 17802 O O . HOH BA . ? 0.1745 0.1607 0.1652 0.0120 -0.0039 0.0035 211 HOH C O 17803 O O . HOH BA . ? 0.2496 0.2284 0.2396 0.0040 0.0005 -0.0032 212 HOH C O 17804 O O . HOH BA . ? 0.1726 0.1650 0.1673 0.0019 -0.0093 -0.0055 213 HOH C O 17805 O O . HOH BA . ? 0.2549 0.2393 0.2434 0.0114 -0.0035 0.0039 214 HOH C O 17806 O O . HOH BA . ? 0.2529 0.2308 0.2436 0.0035 0.0011 -0.0030 215 HOH C O 17807 O O . HOH BA . ? 0.1497 0.1341 0.1310 0.0059 -0.0019 -0.0035 216 HOH C O 17808 O O . HOH BA . ? 0.2867 0.2803 0.2845 0.0006 -0.0099 -0.0053 217 HOH C O 17809 O O . HOH BA . ? 0.2005 0.1815 0.1904 0.0041 -0.0015 -0.0047 218 HOH C O 17810 O O . HOH BA . ? 0.2289 0.2089 0.2207 0.0035 -0.0006 -0.0046 219 HOH C O 17811 O O . HOH BA . ? 0.1753 0.1605 0.1535 0.0057 0.0024 -0.0031 220 HOH C O 17812 O O . HOH BA . ? 0.3317 0.3235 0.3264 0.0112 -0.0052 0.0020 221 HOH C O 17813 O O . HOH BA . ? 0.2592 0.2519 0.2326 0.0045 -0.0083 -0.0116 222 HOH C O 17814 O O . HOH BA . ? 0.1362 0.1170 0.1238 0.0049 0.0011 -0.0093 223 HOH C O 17815 O O . HOH BA . ? 0.2248 0.2055 0.2196 0.0026 -0.0018 -0.0056 224 HOH C O 17816 O O . HOH BA . ? 0.2449 0.2339 0.2372 0.0130 -0.0047 0.0040 225 HOH C O 17817 O O . HOH BA . ? 0.2534 0.2327 0.2426 0.0045 -0.0002 -0.0029 226 HOH C O 17818 O O . HOH BA . ? 0.2331 0.2094 0.2216 0.0052 0.0009 -0.0007 227 HOH C O 17819 O O . HOH BA . ? 0.1846 0.1640 0.1653 0.0086 -0.0002 0.0062 228 HOH C O 17820 O O . HOH BA . ? 0.2456 0.2234 0.2289 0.0088 -0.0003 0.0053 229 HOH C O 17821 O O . HOH BA . ? 0.1492 0.1356 0.1403 -0.0003 -0.0103 -0.0115 230 HOH C O 17822 O O . HOH BA . ? 0.2787 0.2567 0.2637 0.0085 -0.0005 0.0036 231 HOH C O 17823 O O . HOH BA . ? 0.2111 0.1931 0.1940 0.0041 0.0042 -0.0010 232 HOH C O 17824 O O . HOH BA . ? 0.3025 0.2857 0.2830 0.0042 0.0050 0.0010 233 HOH C O 17825 O O . HOH BA . ? 0.2741 0.2534 0.2589 0.0037 0.0034 -0.0002 234 HOH C O 17826 O O . HOH BA . ? 0.2679 0.2542 0.2610 0.0103 -0.0034 0.0012 235 HOH C O 17827 O O . HOH BA . ? 0.1433 0.1207 0.1306 0.0036 0.0025 -0.0010 236 HOH C O 17828 O O . HOH BA . ? 0.3291 0.3085 0.3177 0.0023 0.0041 -0.0018 237 HOH C O 17829 O O . HOH BA . ? 0.1875 0.1724 0.1729 0.0112 -0.0038 0.0050 238 HOH C O 17830 O O . HOH BA . ? 0.1585 0.1428 0.1373 0.0059 0.0009 -0.0021 239 HOH C O 17831 O O . HOH BA . ? 0.3182 0.2974 0.3118 0.0021 0.0015 -0.0042 240 HOH C O 17832 O O . HOH BA . ? 0.1567 0.1473 0.1533 0.0036 -0.0064 -0.0035 241 HOH C O 17833 O O . HOH BA . ? 0.1327 0.1135 0.1187 0.0043 0.0017 -0.0041 242 HOH C O 17834 O O . HOH BA . ? 0.3664 0.3610 0.3596 0.0124 -0.0066 0.0039 243 HOH C O 17835 O O . HOH BA . ? 0.1967 0.1756 0.1849 0.0051 0.0000 -0.0018 244 HOH C O 17836 O O . HOH BA . ? 0.1724 0.1600 0.1665 0.0091 -0.0037 0.0001 245 HOH C O 17837 O O . HOH BA . ? 0.1272 0.1078 0.1164 0.0039 -0.0008 -0.0056 246 HOH C O 17838 O O . HOH BA . ? 0.1945 0.1718 0.1847 0.0042 0.0008 -0.0023 247 HOH C O 17839 O O . HOH BA . ? 0.2166 0.2007 0.2107 0.0075 -0.0022 -0.0014 248 HOH C O 17840 O O . HOH BA . ? 0.3108 0.2863 0.2976 0.0056 0.0013 0.0010 249 HOH C O 17841 O O . HOH BA . ? 0.1565 0.1392 0.1353 0.0083 -0.0008 0.0051 250 HOH C O 17842 O O . HOH BA . ? 0.2489 0.2281 0.2363 0.0084 -0.0012 0.0018 251 HOH C O 17843 O O . HOH BA . ? 0.3120 0.3091 0.3123 0.0014 -0.0096 -0.0034 252 HOH C O 17844 O O . HOH BA . ? 0.1554 0.1364 0.1410 0.0053 0.0002 -0.0113 253 HOH C O 17845 O O . HOH BA . ? 0.1119 0.0990 0.1084 0.0049 -0.0036 -0.0028 254 HOH C O 17846 O O . HOH BA . ? 0.1357 0.1317 0.1305 0.0039 -0.0094 -0.0032 255 HOH C O 17847 O O . HOH BA . ? 0.1500 0.1424 0.1327 0.0115 -0.0067 0.0056 256 HOH C O 17848 O O . HOH BA . ? 0.1262 0.1187 0.1257 0.0029 -0.0064 -0.0030 257 HOH C O 17849 O O . HOH BA . ? 0.1303 0.1132 0.1093 0.0070 0.0000 0.0023 258 HOH C O 17850 O O . HOH BA . ? 0.1553 0.1427 0.1359 0.0085 -0.0040 0.0019 259 HOH C O 17851 O O . HOH BA . ? 0.1169 0.1012 0.1104 0.0020 -0.0059 -0.0072 260 HOH C O 17852 O O . HOH BA . ? 0.1875 0.1708 0.1705 0.0043 0.0045 -0.0024 261 HOH C O 17853 O O . HOH BA . ? 0.1727 0.1532 0.1585 0.0040 0.0026 -0.0028 263 HOH C O 17854 O O . HOH BA . ? 0.1591 0.1488 0.1540 0.0052 -0.0056 -0.0026 269 HOH C O 17855 O O . HOH BA . ? 0.2167 0.2126 0.2044 0.0002 -0.0137 -0.0101 270 HOH C O 17856 O O . HOH BA . ? 0.1677 0.1474 0.1563 0.0041 0.0002 -0.0038 272 HOH C O 17857 O O . HOH BA . ? 0.1650 0.1486 0.1530 0.0023 -0.0066 -0.0106 274 HOH C O 17858 O O . HOH BA . ? 0.1722 0.1561 0.1508 0.0057 0.0021 -0.0008 275 HOH C O 17859 O O . HOH BA . ? 0.1578 0.1377 0.1499 0.0033 0.0012 -0.0062 287 HOH C O 17860 O O . HOH BA . ? 0.1705 0.1517 0.1586 0.0043 -0.0013 -0.0050 292 HOH C O 17861 O O . HOH BA . ? 0.2309 0.2125 0.2089 0.0050 -0.0042 -0.0195 294 HOH C O 17862 O O . HOH BA . ? 0.1903 0.1744 0.1916 -0.0045 -0.0116 -0.0101 303 HOH C O 17863 O O . HOH BA . ? 0.1961 0.1769 0.1894 0.0029 -0.0021 -0.0060 311 HOH C O 17864 O O . HOH BA . ? 0.1740 0.1655 0.1495 0.0036 -0.0092 -0.0131 321 HOH C O 17865 O O . HOH BA . ? 0.2016 0.1850 0.2003 -0.0030 -0.0106 -0.0106 322 HOH C O 17866 O O . HOH BA . ? 0.2171 0.2091 0.1930 0.0108 -0.0054 0.0067 323 HOH C O 17867 O O . HOH BA . ? 0.2334 0.2280 0.2052 0.0071 -0.0061 -0.0034 324 HOH C O 17868 O O . HOH BA . ? 0.2556 0.2490 0.2223 0.0072 -0.0015 -0.0097 328 HOH C O 17869 O O . HOH BA . ? 0.1628 0.1427 0.1532 0.0036 -0.0001 -0.0050 333 HOH C O 17870 O O . HOH BA . ? 0.1969 0.1775 0.1813 0.0039 0.0034 -0.0015 336 HOH C O 17871 O O . HOH BA . ? 0.2139 0.2039 0.2064 0.0114 -0.0050 0.0026 339 HOH C O 17872 O O . HOH BA . ? 0.2343 0.2347 0.2278 0.0011 -0.0136 -0.0057 341 HOH C O 17873 O O . HOH BA . ? 0.2054 0.1860 0.1967 0.0036 -0.0013 -0.0053 342 HOH C O 17874 O O . HOH BA . ? 0.1766 0.1560 0.1640 0.0034 0.0029 -0.0026 352 HOH C O 17875 O O . HOH BA . ? 0.2004 0.1869 0.1954 0.0088 -0.0029 -0.0005 356 HOH C O 17876 O O . HOH BA . ? 0.2258 0.2056 0.2196 0.0029 0.0008 -0.0058 358 HOH C O 17877 O O . HOH BA . ? 0.3038 0.2842 0.2968 0.0025 -0.0034 -0.0081 360 HOH C O 17878 O O . HOH BA . ? 0.2095 0.2029 0.1778 0.0079 -0.0020 0.0001 361 HOH C O 17879 O O . HOH BA . ? 0.1889 0.1945 0.1831 0.0047 -0.0133 -0.0015 369 HOH C O 17880 O O . HOH BA . ? 0.2211 0.2095 0.1943 0.0073 0.0015 -0.0121 372 HOH C O 17881 O O . HOH BA . ? 0.2549 0.2361 0.2422 0.0019 -0.0069 -0.0140 374 HOH C O 17882 O O . HOH BA . ? 0.1911 0.1770 0.1624 0.0052 -0.0054 -0.0214 467 HOH C O 17883 O O . HOH BA . ? 0.2176 0.1991 0.2017 0.0040 -0.0037 -0.0129 468 HOH C O 17884 O O . HOH BA . ? 0.3046 0.2837 0.2931 0.0026 -0.0052 -0.0137 469 HOH C O 17885 O O . HOH BA . ? 0.2912 0.2758 0.2671 0.0054 0.0041 0.0042 470 HOH C O 17886 O O . HOH BA . ? 0.2670 0.2466 0.2454 0.0063 0.0024 0.0066 471 HOH C O 17887 O O . HOH BA . ? 0.2541 0.2407 0.2270 0.0080 0.0004 0.0066 472 HOH C O 17888 O O . HOH BA . ? 0.3136 0.3007 0.2861 0.0073 0.0014 0.0054 473 HOH C O 17889 O O . HOH BA . ? 0.5495 0.5543 0.5263 0.0041 -0.0149 -0.0066 474 HOH C O 17890 O O . HOH BA . ? 0.2709 0.2730 0.2577 0.0037 -0.0137 -0.0047 475 HOH C O 17891 O O . HOH BA . ? 0.2796 0.2819 0.2699 0.0014 -0.0148 -0.0063 476 HOH C O 17892 O O . HOH BA . ? 0.4060 0.3987 0.3990 -0.0017 -0.0133 -0.0104 477 HOH C O 17893 O O . HOH BA . ? 0.2511 0.2291 0.2403 0.0031 0.0024 -0.0025 478 HOH C O 17894 O O . HOH BA . ? 0.2880 0.2642 0.2730 0.0059 0.0014 0.0020 479 HOH C O 17895 O O . HOH BA . ? 0.3062 0.2831 0.2892 0.0077 0.0006 0.0048 480 HOH C O 17896 O O . HOH BA . ? 0.2820 0.2593 0.2678 0.0074 0.0000 0.0022 481 HOH C O 17897 O O . HOH BA . ? 0.2367 0.2201 0.2177 0.0063 -0.0009 -0.0009 482 HOH C O 17898 O O . HOH BA . ? 0.2611 0.2615 0.2379 0.0112 -0.0097 0.0059 483 HOH C O 17899 O O . HOH BA . ? 0.2436 0.2447 0.2165 0.0098 -0.0095 0.0036 484 HOH C O 17900 O O . HOH BA . ? 0.2625 0.2563 0.2363 0.0116 -0.0058 0.0089 485 HOH C O 17901 O O . HOH BA . ? 0.3150 0.3053 0.2920 0.0119 -0.0050 0.0091 486 HOH C O 17902 O O . HOH BA . ? 0.2686 0.2622 0.2402 0.0111 -0.0048 0.0093 487 HOH C O 17903 O O . HOH BA . ? 0.2608 0.2620 0.2443 0.0121 -0.0104 0.0062 488 HOH C O 17904 O O . HOH BA . ? 0.2614 0.2653 0.2458 0.0110 -0.0117 0.0047 489 HOH C O 17905 O O . HOH BA . ? 0.2501 0.2556 0.2376 0.0113 -0.0121 0.0050 490 HOH C O 17906 O O . HOH BA . ? 0.3389 0.3188 0.3330 0.0026 -0.0021 -0.0072 491 HOH C O 17907 O O . HOH BA . ? 0.3426 0.3216 0.3353 0.0029 -0.0025 -0.0093 492 HOH C O 17908 O O . HOH BA . ? 0.3058 0.3147 0.2996 0.0074 -0.0136 0.0013 493 HOH C O 17909 O O . HOH BA . ? 0.2522 0.2513 0.2482 0.0108 -0.0079 0.0026 494 HOH C O 17910 O O . HOH BA . ? 0.3643 0.3666 0.3626 0.0122 -0.0082 0.0037 495 HOH C O 17911 O O . HOH BA . ? 0.3198 0.3279 0.3217 0.0115 -0.0093 0.0037 496 HOH C O 17912 O O . HOH BA . ? 0.3336 0.3203 0.3337 -0.0003 -0.0070 -0.0057 497 HOH C O 17913 O O . HOH BA . ? 0.4437 0.4266 0.4423 0.0003 -0.0057 -0.0067 498 HOH C O 17914 O O . HOH BA . ? 0.3608 0.3636 0.3360 0.0101 -0.0108 0.0040 499 HOH C O 17915 O O . HOH BA . ? 0.4487 0.4246 0.4328 0.0045 0.0029 0.0028 500 HOH C O 17916 O O . HOH BA . ? 0.3355 0.3171 0.3195 0.0028 -0.0063 -0.0153 501 HOH C O 17917 O O . HOH BA . ? 0.2774 0.2575 0.2626 0.0034 -0.0047 -0.0148 502 HOH C O 17918 O O . HOH BA . ? 0.3111 0.3065 0.3042 -0.0008 -0.0134 -0.0087 503 HOH C O 17919 O O . HOH BA . ? 0.2197 0.2115 0.2207 -0.0031 -0.0117 -0.0073 504 HOH C O 17920 O O . HOH BA . ? 0.2689 0.2470 0.2647 -0.0015 -0.0092 -0.0136 505 HOH C O 17921 O O . HOH BA . ? 0.3102 0.2910 0.2986 -0.0005 -0.0101 -0.0169 506 HOH C O 17922 O O . HOH BA . ? 0.2566 0.2487 0.2345 0.0016 -0.0118 -0.0151 507 HOH C O 17923 O O . HOH BA . ? 0.4482 0.4423 0.4146 0.0075 0.0019 -0.0027 508 HOH C O 17924 O O . HOH BA . ? 0.3061 0.2959 0.2777 0.0072 0.0017 -0.0100 509 HOH C O 17925 O O . HOH BA . ? 0.4094 0.3869 0.3993 0.0041 -0.0022 -0.0132 510 HOH C O 17926 O O . HOH BA . ? 0.2764 0.2588 0.2588 0.0110 -0.0026 0.0069 608 HOH C O 17927 O O . HOH BA . ? 0.2630 0.2449 0.2489 0.0121 -0.0028 0.0063 609 HOH C O 17928 O O . HOH BA . ? 0.2696 0.2514 0.2583 0.0019 -0.0066 -0.0121 613 HOH C O 17929 O O . HOH BA . ? 0.2765 0.2768 0.2684 0.0128 -0.0091 0.0053 620 HOH C O 17930 O O . HOH BA . ? 0.2767 0.2603 0.2702 0.0092 -0.0021 -0.0002 629 HOH C O 17931 O O . HOH BA . ? 0.3355 0.3279 0.3037 0.0059 -0.0052 -0.0139 636 HOH C O 17932 O O . HOH BA . ? 0.3465 0.3250 0.3396 0.0036 -0.0009 -0.0093 640 HOH C O 17933 O O . HOH BA . ? 0.3060 0.2858 0.3009 0.0023 0.0002 -0.0045 646 HOH C O 17934 O O . HOH BA . ? 0.3493 0.3275 0.3365 0.0033 -0.0045 -0.0153 650 HOH C O 17935 O O . HOH BA . ? 0.3344 0.3357 0.3198 0.0138 -0.0102 0.0081 662 HOH C O 17936 O O . HOH BA . ? 0.2960 0.2955 0.2758 0.0138 -0.0094 0.0097 665 HOH C O 17937 O O . HOH BA . ? 0.4087 0.3960 0.4084 0.0019 -0.0041 -0.0036 667 HOH C O 17938 O O . HOH BA . ? 0.2706 0.2525 0.2637 0.0082 -0.0015 -0.0009 668 HOH C O 17939 O O . HOH BA . ? 0.2601 0.2374 0.2514 0.0052 -0.0004 -0.0132 669 HOH C O 17940 O O . HOH BA . ? 0.3052 0.2849 0.2955 0.0039 -0.0003 -0.0040 674 HOH C O 17941 O O . HOH BA . ? 0.3747 0.3857 0.3734 0.0086 -0.0127 0.0027 675 HOH C O 17942 O O . HOH BA . ? 0.2996 0.2809 0.2775 0.0093 -0.0004 0.0088 679 HOH C O 17943 O O . HOH BA . ? 0.2988 0.2824 0.2907 0.0095 -0.0026 0.0006 680 HOH C O 17944 O O . HOH BA . ? 0.3831 0.3798 0.3838 -0.0002 -0.0107 -0.0045 687 HOH C O 17945 O O . HOH BA . ? 0.3209 0.3095 0.3209 0.0017 -0.0050 -0.0036 688 HOH C O 17946 O O . HOH BA . ? 0.3674 0.3452 0.3594 0.0030 0.0011 -0.0033 689 HOH C O 17947 O O . HOH BA . ? 0.2799 0.2607 0.2741 0.0035 -0.0009 -0.0039 695 HOH C O 17948 O O . HOH BA . ? 0.2951 0.2892 0.2758 0.0140 -0.0073 0.0102 698 HOH C O 17949 O O . HOH BA . ? 0.3674 0.3577 0.3368 0.0071 -0.0010 -0.0136 700 HOH C O 17950 O O . HOH BA . ? 0.3742 0.3674 0.3592 -0.0005 -0.0138 -0.0133 709 HOH C O 17951 O O . HOH BA . ? 0.4750 0.4858 0.4780 0.0090 -0.0107 0.0028 722 HOH C O 17952 O O . HOH BA . ? 0.3832 0.3674 0.3650 0.0080 0.0038 -0.0140 726 HOH C O 17953 O O . HOH BA . ? 0.3989 0.3790 0.3941 0.0024 -0.0017 -0.0063 732 HOH C O 17954 O O . HOH BA . ? 0.4044 0.4159 0.3978 0.0099 -0.0140 0.0039 741 HOH C O 17955 O O . HOH BA . ? 0.4193 0.3975 0.4115 0.0047 0.0002 -0.0027 742 HOH C O 17956 O O . HOH BA . ? 0.3813 0.3684 0.3592 0.0047 0.0063 0.0004 748 HOH C O 17957 O O . HOH BA . ? 0.3547 0.3340 0.3359 0.0054 -0.0029 -0.0191 750 HOH C O 17958 O O . HOH BA . ? 0.3046 0.2895 0.2847 0.0042 0.0058 0.0003 757 HOH C O 17959 O O . HOH BA . ? 0.4014 0.3823 0.3952 0.0086 -0.0009 -0.0011 758 HOH C O 17960 O O . HOH BA . ? 0.3590 0.3366 0.3521 0.0042 -0.0007 -0.0110 762 HOH C O 17961 O O . HOH BA . ? 0.3321 0.3138 0.3265 0.0046 -0.0012 -0.0032 765 HOH C O 17962 O O . HOH BA . ? 0.3576 0.3597 0.3505 0.0000 -0.0152 -0.0068 769 HOH C O 17963 O O . HOH BA . ? 0.3346 0.3192 0.3086 0.0059 -0.0033 -0.0190 772 HOH C O 17964 O O . HOH BA . ? 0.4104 0.3869 0.4002 0.0055 -0.0008 -0.0151 774 HOH C O 17965 O O . HOH BA . ? 0.4366 0.4107 0.4240 0.0047 0.0021 0.0009 784 HOH C O 17966 O O . HOH BA . ? 0.4434 0.4356 0.4110 0.0074 -0.0004 -0.0114 786 HOH C O 17967 O O . HOH BA . ? 0.3593 0.3449 0.3291 0.0049 -0.0064 -0.0241 787 HOH C O 17968 O O . HOH BA . ? 0.3185 0.3115 0.2891 0.0079 -0.0037 0.0001 788 HOH C O 17969 O O . HOH BA . ? 0.4527 0.4327 0.4461 0.0053 -0.0005 -0.0027 791 HOH C O 17970 O O . HOH BA . ? 0.3160 0.3133 0.3134 -0.0004 -0.0125 -0.0061 792 HOH C O 17971 O O . HOH BA . ? 0.4389 0.4169 0.4246 0.0051 -0.0021 -0.0163 793 HOH C O 17972 O O . HOH BA . ? 0.3618 0.3525 0.3506 -0.0019 -0.0139 -0.0138 797 HOH C O 17973 O O . HOH BA . ? 0.3655 0.3677 0.3605 0.0022 -0.0132 -0.0040 810 HOH C O 17974 O O . HOH BA . ? 0.4011 0.4047 0.3708 0.0099 -0.0100 0.0040 812 HOH C O 17975 O O . HOH BA . ? 0.4266 0.4037 0.4111 0.0040 0.0032 0.0015 816 HOH C O 17976 O O . HOH BA . ? 0.3755 0.3557 0.3624 0.0028 0.0044 -0.0013 820 HOH C O 17977 O O . HOH BA . ? 0.4484 0.4297 0.4313 0.0035 0.0049 0.0008 834 HOH C O 17978 O O . HOH BA . ? 0.5022 0.4869 0.4796 0.0049 0.0048 0.0024 864 HOH C O 17979 O O . HOH BA . ? 0.4250 0.4342 0.4094 0.0059 -0.0156 -0.0013 865 HOH C O 17980 O O . HOH BA . ? 0.4386 0.4437 0.4243 0.0044 -0.0146 -0.0036 866 HOH C O 17981 O O . HOH BA . ? 0.3947 0.4036 0.3961 0.0063 -0.0116 0.0010 867 HOH C O 17982 O O . HOH BA . ? 0.4249 0.4070 0.4213 0.0019 -0.0033 -0.0057 868 HOH C O 17983 O O . HOH BA . ? 0.6116 0.6098 0.5818 0.0065 -0.0087 -0.0054 869 HOH C O 17984 O O . HOH BA . ? 0.4305 0.4257 0.4002 0.0076 -0.0052 -0.0022 871 HOH C O 17985 O O . HOH BA . ? 0.4280 0.4050 0.4083 0.0062 0.0025 0.0066 872 HOH C O 17986 O O . HOH BA . ? 0.4062 0.3994 0.3824 0.0028 -0.0108 -0.0133 873 HOH C O 17987 O O . HOH BA . ? 0.3763 0.3689 0.3490 0.0029 -0.0106 -0.0164 874 HOH C O 17988 O O . HOH BA . ? 0.4428 0.4387 0.4081 0.0065 -0.0053 -0.0111 875 HOH C O 17989 O O . HOH BA . ? 0.5224 0.5118 0.4943 0.0065 0.0031 0.0004 876 HOH C O 17990 O O . HOH BA . ? 0.3932 0.3733 0.3874 0.0056 -0.0002 -0.0028 910 HOH C O 17991 O O . HOH BA . ? 0.4028 0.3814 0.3857 0.0105 -0.0011 0.0074 913 HOH C O 17992 O O . HOH BA . ? 0.4797 0.4554 0.4675 0.0033 0.0028 -0.0003 916 HOH C O 17993 O O . HOH BA . ? 0.4235 0.4023 0.4116 0.0019 -0.0065 -0.0153 918 HOH C O 17994 O O . HOH BA . ? 0.4717 0.4741 0.4497 0.0124 -0.0105 0.0077 919 HOH C O 17995 O O . HOH BA . ? 0.3823 0.3612 0.3806 -0.0027 -0.0099 -0.0124 920 HOH C O 17996 O O . HOH BA . ? 0.4559 0.4399 0.4416 -0.0003 -0.0110 -0.0169 921 HOH C O 17997 O O . HOH BA . ? 0.2692 0.2466 0.2575 0.0070 -0.0002 0.0004 928 HOH C O 17998 O O . HOH BA . ? 0.3415 0.3503 0.3346 0.0052 -0.0147 -0.0008 938 HOH C O 17999 O O . HOH BA . ? 0.3828 0.3662 0.3607 0.0070 0.0002 -0.0164 946 HOH C O 18000 O O . HOH BA . ? 0.5122 0.5041 0.4808 0.0076 0.0012 -0.0103 947 HOH C O 18001 O O . HOH BA . ? 0.3880 0.3793 0.3582 0.0098 -0.0024 0.0088 955 HOH C O 18002 O O . HOH BA . ? 0.4032 0.4115 0.4033 0.0043 -0.0129 -0.0004 957 HOH C O 18003 O O . HOH BA . ? 0.3723 0.3694 0.3530 0.0151 -0.0085 0.0117 961 HOH C O 18004 O O . HOH BA . ? 0.3631 0.3453 0.3585 0.0025 -0.0028 -0.0052 976 HOH C O 18005 O O . HOH BA . ? 0.3761 0.3523 0.3607 0.0069 0.0009 0.0032 977 HOH C O 18006 O O . HOH BA . ? 0.4783 0.4614 0.4490 0.0056 -0.0053 -0.0259 992 HOH C O 18007 O O . HOH BA . ? 0.4530 0.4326 0.4318 0.0041 -0.0057 -0.0220 997 HOH C O 18008 O O . HOH BA . ? 0.4934 0.5008 0.4959 0.0138 -0.0082 0.0046 1040 HOH C O 18009 O O . HOH BA . ? 0.5378 0.5384 0.5357 0.0007 -0.0127 -0.0045 1076 HOH C O 18010 O O . HOH BA . ? 0.4069 0.3867 0.3871 0.0024 -0.0080 -0.0219 1079 HOH C O 18011 O O . HOH BA . ? 0.5008 0.4822 0.4772 0.0070 -0.0016 -0.0214 1080 HOH C O 18012 O O . HOH BA . ? 0.4438 0.4288 0.4186 0.0071 -0.0003 -0.0171 1081 HOH C O 18013 O O . HOH BA . ? 0.4884 0.4746 0.4621 0.0056 0.0045 0.0059 1082 HOH C O 18014 O O . HOH BA . ? 0.4540 0.4513 0.4244 0.0072 -0.0076 -0.0032 1083 HOH C O 18015 O O . HOH BA . ? 0.4128 0.4097 0.3824 0.0047 -0.0098 -0.0116 1084 HOH C O 18016 O O . HOH BA . ? 0.5279 0.5300 0.4987 0.0067 -0.0111 -0.0040 1085 HOH C O 18017 O O . HOH BA . ? 0.3960 0.3921 0.3688 0.0065 -0.0081 -0.0048 1086 HOH C O 18018 O O . HOH BA . ? 0.4737 0.4516 0.4622 0.0024 0.0037 -0.0013 1087 HOH C O 18019 O O . HOH BA . ? 0.4820 0.4569 0.4705 0.0040 0.0021 -0.0005 1089 HOH C O 18020 O O . HOH BA . ? 0.4195 0.4194 0.3965 0.0133 -0.0092 0.0099 1090 HOH C O 18021 O O . HOH BA . ? 0.5101 0.4852 0.5004 0.0052 0.0011 -0.0012 1092 HOH C O 18022 O O . HOH BA . ? 0.4593 0.4354 0.4500 0.0042 0.0012 -0.0020 1093 HOH C O 18023 O O . HOH BA . ? 0.3884 0.3671 0.3817 0.0029 0.0006 -0.0038 1094 HOH C O 18024 O O . HOH BA . ? 0.4945 0.4720 0.4866 0.0024 0.0018 -0.0032 1095 HOH C O 18025 O O . HOH BA . ? 0.4996 0.4779 0.4925 0.0020 0.0019 -0.0036 1096 HOH C O 18026 O O . HOH BA . ? 0.4424 0.4257 0.4326 0.0122 -0.0030 0.0039 1097 HOH C O 18027 O O . HOH BA . ? 0.4116 0.3916 0.4034 0.0078 -0.0011 -0.0007 1098 HOH C O 18028 O O . HOH BA . ? 0.5729 0.5512 0.5654 0.0070 -0.0002 -0.0015 1099 HOH C O 18029 O O . HOH BA . ? 0.4541 0.4355 0.4501 0.0022 -0.0024 -0.0054 1103 HOH C O 18030 O O . HOH BA . ? 0.4643 0.4459 0.4613 0.0020 -0.0019 -0.0049 1104 HOH C O 18031 O O . HOH BA . ? 0.4160 0.3956 0.4101 0.0029 -0.0001 -0.0064 1105 HOH C O 18032 O O . HOH BA . ? 0.4724 0.4530 0.4697 0.0017 -0.0002 -0.0048 1107 HOH C O 18033 O O . HOH BA . ? 0.4503 0.4304 0.4476 0.0020 -0.0003 -0.0055 1108 HOH C O 18034 O O . HOH BA . ? 0.4773 0.4606 0.4737 0.0022 -0.0037 -0.0052 1110 HOH C O 18035 O O . HOH BA . ? 0.5006 0.5071 0.4831 0.0101 -0.0130 0.0039 1112 HOH C O 18036 O O . HOH BA . ? 0.4894 0.4848 0.4549 0.0080 -0.0013 0.0002 1113 HOH C O 18037 O O . HOH BA . ? 0.4763 0.4564 0.4571 0.0103 -0.0012 0.0082 1114 HOH C O 18038 O O . HOH BA . ? 0.3952 0.3845 0.3659 0.0086 -0.0005 0.0072 1116 HOH C O 18039 O O . HOH BA . ? 0.4833 0.4731 0.4535 0.0075 0.0010 0.0043 1117 HOH C O 18040 O O . HOH BA . ? 0.4254 0.4124 0.3970 0.0071 0.0025 0.0075 1118 HOH C O 18041 O O . HOH BA . ? 0.4705 0.4501 0.4558 0.0024 -0.0066 -0.0167 1119 HOH C O 18042 O O . HOH BA . ? 0.4612 0.4562 0.4488 -0.0012 -0.0147 -0.0122 1120 HOH C O 18043 O O . HOH BA . ? 0.4468 0.4399 0.4498 -0.0030 -0.0110 -0.0058 1121 HOH C O 18044 O O . HOH BA . ? 0.5500 0.5261 0.5432 0.0005 -0.0072 -0.0149 1122 HOH C O 18045 O O . HOH BA . ? 0.5174 0.5079 0.4980 -0.0003 -0.0134 -0.0171 1123 HOH C O 18046 O O . HOH BA . ? 0.4952 0.4830 0.4772 0.0003 -0.0117 -0.0166 1125 HOH C O 18047 O O . HOH BA . ? 0.5043 0.5024 0.4675 0.0070 -0.0053 -0.0090 1126 HOH C O 18048 O O . HOH BA . ? 0.5425 0.5386 0.5063 0.0075 -0.0019 -0.0085 1127 HOH C O 18049 O O . HOH BA . ? 0.4603 0.4531 0.4287 0.0074 0.0025 -0.0053 1128 HOH C O 18050 O O . HOH BA . ? 0.4392 0.4229 0.4192 0.0079 0.0025 -0.0155 1129 HOH C O 18051 O O . HOH BA . ? 0.5098 0.4922 0.4926 0.0075 0.0025 -0.0148 1130 HOH C O 18052 O O . HOH BA . ? 0.4826 0.4605 0.4685 0.0036 0.0030 -0.0002 1327 HOH C O 18053 O O . HOH BA . ? 0.5570 0.5569 0.5283 0.0071 -0.0096 -0.0031 1328 HOH C O 18054 O O . HOH BA . ? 0.5519 0.5512 0.5304 0.0027 -0.0136 -0.0098 1329 HOH C O 18055 O O . HOH BA . ? 0.5794 0.5876 0.5804 0.0024 -0.0135 -0.0016 1330 HOH C O 18056 O O . HOH BA . ? 0.4836 0.4799 0.4794 0.0123 -0.0066 0.0032 1331 HOH C O 18057 O O . HOH BA . ? 0.4663 0.4674 0.4605 0.0130 -0.0089 0.0051 1332 HOH C O 18058 O O . HOH BA . ? 0.4151 0.3953 0.3928 0.0056 0.0035 0.0071 1334 HOH C O 18059 O O . HOH BA . ? 0.5194 0.4980 0.5124 0.0016 -0.0053 -0.0115 1335 HOH C O 18060 O O . HOH BA . ? 0.4984 0.4773 0.4934 0.0012 -0.0052 -0.0102 1336 HOH C O 18061 O O . HOH BA . ? 0.4845 0.4604 0.4802 -0.0008 -0.0083 -0.0142 1337 HOH C O 18062 O O . HOH BA . ? 0.4717 0.4566 0.4547 0.0006 -0.0105 -0.0171 1338 HOH C O 18063 O O . HOH BA . ? 0.5830 0.5615 0.5683 0.0101 -0.0012 0.0050 1371 HOH C O 18064 O O . HOH BA . ? 0.4256 0.4062 0.4122 0.0103 -0.0021 0.0039 1372 HOH C O 18065 O O . HOH BA . ? 0.4701 0.4488 0.4534 0.0119 -0.0016 0.0087 1373 HOH C O 18066 O O . HOH BA . ? 0.3746 0.3532 0.3607 0.0067 0.0004 -0.0162 1377 HOH C O 18067 O O . HOH BA . ? 0.3653 0.3456 0.3564 0.0029 -0.0033 -0.0091 1378 HOH C O 18068 O O . HOH BA . ? 0.4503 0.4362 0.4236 0.0065 -0.0019 -0.0172 1385 HOH C O 18069 O O . HOH BA . ? 0.4245 0.4065 0.4244 -0.0027 -0.0095 -0.0097 1387 HOH C O 18070 O O . HOH BA . ? 0.4766 0.4542 0.4645 0.0042 -0.0029 -0.0150 1390 HOH C O 18071 O O . HOH BA . ? 0.4234 0.4124 0.3943 0.0074 0.0004 -0.0140 1393 HOH C O 18072 O O . HOH BA . ? 0.4906 0.4907 0.4579 0.0051 -0.0107 -0.0105 1394 HOH C O 18073 O O . HOH BA . ? 0.4782 0.4829 0.4780 0.0017 -0.0130 -0.0027 1403 HOH C O 18074 O O . HOH BA . ? 0.4265 0.4048 0.4138 0.0032 0.0031 -0.0014 1404 HOH C O 18075 O O . HOH BA . ? 0.4235 0.4117 0.4252 0.0009 -0.0042 -0.0032 1405 HOH C O 18076 O O . HOH BA . ? 0.4159 0.3923 0.4094 0.0053 -0.0002 -0.0129 1408 HOH C O 18077 O O . HOH BA . ? 0.4298 0.4270 0.3987 0.0112 -0.0057 0.0093 1411 HOH C O 18078 O O . HOH BA . ? 0.4235 0.3983 0.4087 0.0051 0.0023 0.0024 1414 HOH C O 18079 O O . HOH BA . ? 0.4303 0.4209 0.4020 0.0071 0.0031 -0.0067 1415 HOH C O 18080 O O . HOH BA . ? 0.3278 0.3095 0.3251 -0.0031 -0.0111 -0.0126 1418 HOH C O 18081 O O . HOH BA . ? 0.4993 0.4812 0.4766 0.0050 0.0042 0.0059 1420 HOH C O 18082 O O . HOH BA . ? 0.4656 0.4582 0.4485 -0.0013 -0.0148 -0.0160 1428 HOH C O 18083 O O . HOH BA . ? 0.4172 0.3950 0.4044 0.0057 -0.0009 -0.0156 1440 HOH C O 18084 O O . HOH BA . ? 0.3923 0.3729 0.3828 0.0084 -0.0016 0.0002 1444 HOH C O 18085 O O . HOH BA . ? 0.4422 0.4455 0.4384 0.0128 -0.0092 0.0048 1460 HOH C O 18086 O O . HOH BA . ? 0.4817 0.4774 0.4496 0.0082 -0.0042 0.0000 1492 HOH C O 18087 O O . HOH BA . ? 0.5775 0.5735 0.5445 0.0088 -0.0037 0.0030 1493 HOH C O 18088 O O . HOH BA . ? 0.5226 0.4975 0.5123 0.0039 0.0018 -0.0013 1494 HOH C O 18089 O O . HOH BA . ? 0.5526 0.5303 0.5423 0.0081 -0.0005 0.0005 1495 HOH C O 18090 O O . HOH BA . ? 0.5615 0.5411 0.5513 0.0097 -0.0015 0.0018 1496 HOH C O 18091 O O . HOH BA . ? 0.4537 0.4352 0.4508 0.0020 -0.0012 -0.0045 1497 HOH C O 18092 O O . HOH BA . ? 0.5117 0.4928 0.5078 0.0023 -0.0007 -0.0043 1498 HOH C O 18093 O O . HOH BA . ? 0.5303 0.5358 0.5239 0.0128 -0.0109 0.0056 1499 HOH C O 18094 O O . HOH BA . ? 0.4875 0.4960 0.4775 0.0112 -0.0130 0.0049 1500 HOH C O 18095 O O . HOH BA . ? 0.5424 0.5341 0.5138 0.0116 -0.0039 0.0117 1501 HOH C O 18096 O O . HOH BA . ? 0.5722 0.5763 0.5560 0.0035 -0.0149 -0.0055 1502 HOH C O 18097 O O . HOH BA . ? 0.4675 0.4667 0.4492 -0.0004 -0.0162 -0.0132 1503 HOH C O 18098 O O . HOH BA . ? 0.3716 0.3614 0.3646 0.0027 -0.0079 -0.0056 1504 HOH C O 18099 O O . HOH BA . ? 0.4145 0.3935 0.4153 -0.0024 -0.0085 -0.0099 1506 HOH C O 18100 O O . HOH BA . ? 0.4398 0.4307 0.4094 0.0071 0.0017 0.0009 1508 HOH C O 18101 O O . HOH BA . ? 0.5176 0.5091 0.4883 0.0068 0.0044 -0.0026 1509 HOH C O 18102 O O . HOH BA . ? 0.4473 0.4337 0.4233 0.0076 0.0024 -0.0138 1510 HOH C O 18103 O O . HOH BA . ? 0.5602 0.5349 0.5553 0.0047 -0.0013 -0.0132 1512 HOH C O 18104 O O . HOH BA . ? 0.5789 0.5695 0.5520 0.0057 0.0063 0.0010 1517 HOH C O 18105 O O . HOH CA . ? 0.1179 0.1124 0.1180 -0.0024 0.0090 0.0007 208 HOH D O 18106 O O . HOH CA . ? 0.1860 0.1813 0.1914 -0.0047 0.0047 -0.0008 209 HOH D O 18107 O O . HOH CA . ? 0.2165 0.2001 0.2129 -0.0004 0.0049 -0.0026 210 HOH D O 18108 O O . HOH CA . ? 0.2428 0.2429 0.2354 -0.0008 0.0137 0.0039 211 HOH D O 18109 O O . HOH CA . ? 0.1825 0.1648 0.1677 0.0036 0.0047 -0.0024 212 HOH D O 18110 O O . HOH CA . ? 0.2722 0.2718 0.2742 0.0117 0.0121 -0.0080 213 HOH D O 18111 O O . HOH CA . ? 0.1452 0.1429 0.1504 -0.0025 0.0073 -0.0001 214 HOH D O 18112 O O . HOH CA . ? 0.1875 0.1798 0.1912 -0.0039 0.0046 -0.0014 215 HOH D O 18113 O O . HOH CA . ? 0.1651 0.1560 0.1682 -0.0024 0.0043 -0.0018 216 HOH D O 18114 O O . HOH CA . ? 0.2507 0.2308 0.2391 0.0030 0.0035 -0.0029 217 HOH D O 18115 O O . HOH CA . ? 0.2406 0.2238 0.2389 0.0011 0.0029 -0.0040 218 HOH D O 18116 O O . HOH CA . ? 0.1169 0.1105 0.1155 0.0019 0.0088 -0.0021 219 HOH D O 18117 O O . HOH CA . ? 0.1513 0.1486 0.1583 -0.0040 0.0042 -0.0006 220 HOH D O 18118 O O . HOH CA . ? 0.1459 0.1311 0.1301 0.0072 0.0050 -0.0106 221 HOH D O 18119 O O . HOH CA . ? 0.1230 0.1040 0.1192 0.0054 0.0030 -0.0086 222 HOH D O 18120 O O . HOH CA . ? 0.2303 0.2359 0.2236 0.0000 0.0155 0.0043 223 HOH D O 18121 O O . HOH CA . ? 0.2004 0.1814 0.1864 0.0035 0.0038 -0.0024 224 HOH D O 18122 O O . HOH CA . ? 0.1295 0.1238 0.1233 0.0016 0.0105 -0.0006 225 HOH D O 18123 O O . HOH CA . ? 0.1080 0.0985 0.1112 -0.0009 0.0043 -0.0021 226 HOH D O 18124 O O . HOH CA . ? 0.2008 0.1849 0.1987 0.0019 0.0039 -0.0043 227 HOH D O 18125 O O . HOH CA . ? 0.2212 0.2055 0.2042 0.0072 0.0039 -0.0119 228 HOH D O 18126 O O . HOH CA . ? 0.2292 0.2118 0.2175 0.0073 0.0042 -0.0120 229 HOH D O 18127 O O . HOH CA . ? 0.1406 0.1347 0.1382 -0.0030 0.0102 0.0022 230 HOH D O 18128 O O . HOH CA . ? 0.1819 0.1636 0.1704 0.0052 0.0027 -0.0087 231 HOH D O 18129 O O . HOH CA . ? 0.1220 0.1025 0.1119 0.0037 0.0020 -0.0057 232 HOH D O 18130 O O . HOH CA . ? 0.2879 0.2729 0.2695 0.0043 0.0057 -0.0016 233 HOH D O 18131 O O . HOH CA . ? 0.1690 0.1546 0.1683 0.0001 0.0041 -0.0032 234 HOH D O 18132 O O . HOH CA . ? 0.1715 0.1616 0.1678 -0.0043 0.0096 0.0029 235 HOH D O 18133 O O . HOH CA . ? 0.3231 0.3212 0.3299 -0.0064 0.0053 0.0001 236 HOH D O 18134 O O . HOH CA . ? 0.2755 0.2566 0.2708 -0.0016 0.0049 -0.0019 237 HOH D O 18135 O O . HOH CA . ? 0.2958 0.2792 0.2928 0.0001 0.0042 -0.0032 238 HOH D O 18136 O O . HOH CA . ? 0.2642 0.2453 0.2572 -0.0009 0.0058 -0.0009 239 HOH D O 18137 O O . HOH CA . ? 0.2266 0.2346 0.2230 -0.0011 0.0159 0.0050 240 HOH D O 18138 O O . HOH CA . ? 0.2992 0.2849 0.2816 0.0036 0.0068 -0.0005 241 HOH D O 18139 O O . HOH CA . ? 0.2484 0.2338 0.2325 0.0022 0.0078 0.0013 242 HOH D O 18140 O O . HOH CA . ? 0.1314 0.1285 0.1359 -0.0007 0.0076 -0.0007 243 HOH D O 18141 O O . HOH CA . ? 0.3522 0.3338 0.3392 0.0023 0.0055 -0.0009 244 HOH D O 18142 O O . HOH CA . ? 0.3683 0.3662 0.3712 0.0159 0.0127 -0.0115 245 HOH D O 18143 O O . HOH CA . ? 0.2327 0.2146 0.2320 0.0020 0.0016 -0.0048 246 HOH D O 18144 O O . HOH CA . ? 0.1987 0.1824 0.1976 0.0018 0.0031 -0.0044 247 HOH D O 18145 O O . HOH CA . ? 0.1318 0.1239 0.1400 0.0024 0.0029 -0.0016 248 HOH D O 18146 O O . HOH CA . ? 0.2633 0.2441 0.2508 0.0071 0.0026 -0.0134 249 HOH D O 18147 O O . HOH CA . ? 0.4427 0.4423 0.4452 -0.0066 0.0109 0.0042 250 HOH D O 18148 O O . HOH CA . ? 0.1848 0.1674 0.1726 0.0047 0.0037 -0.0068 251 HOH D O 18149 O O . HOH CA . ? 0.2476 0.2340 0.2418 -0.0034 0.0087 0.0024 252 HOH D O 18150 O O . HOH CA . ? 0.4055 0.4084 0.4228 0.0048 0.0031 0.0020 253 HOH D O 18151 O O . HOH CA . ? 0.2148 0.1960 0.2024 0.0055 0.0020 -0.0102 254 HOH D O 18152 O O . HOH CA . ? 0.2824 0.2716 0.2616 0.0045 0.0079 -0.0007 255 HOH D O 18153 O O . HOH CA . ? 0.1408 0.1249 0.1406 0.0079 0.0051 -0.0090 256 HOH D O 18154 O O . HOH CA . ? 0.3204 0.3050 0.3137 -0.0023 0.0079 0.0013 257 HOH D O 18155 O O . HOH CA . ? 0.2249 0.2177 0.2246 0.0000 0.0081 -0.0013 258 HOH D O 18156 O O . HOH CA . ? 0.2397 0.2261 0.2424 0.0001 0.0015 -0.0028 259 HOH D O 18157 O O . HOH CA . ? 0.1393 0.1248 0.1387 -0.0035 0.0044 -0.0022 260 HOH D O 18158 O O . HOH CA . ? 0.1395 0.1322 0.1397 0.0022 0.0078 -0.0027 261 HOH D O 18159 O O . HOH CA . ? 0.1443 0.1371 0.1540 0.0044 0.0037 -0.0019 262 HOH D O 18160 O O . HOH CA . ? 0.1239 0.1098 0.1244 0.0017 0.0037 -0.0038 263 HOH D O 18161 O O . HOH CA . ? 0.1760 0.1649 0.1779 -0.0031 0.0037 -0.0022 266 HOH D O 18162 O O . HOH CA . ? 0.1528 0.1334 0.1488 0.0100 0.0049 -0.0139 268 HOH D O 18163 O O . HOH CA . ? 0.1814 0.1777 0.1825 0.0129 0.0115 -0.0099 277 HOH D O 18164 O O . HOH CA . ? 0.2012 0.1825 0.1973 -0.0009 0.0038 -0.0029 279 HOH D O 18165 O O . HOH CA . ? 0.2203 0.2028 0.2196 0.0025 0.0023 -0.0050 284 HOH D O 18166 O O . HOH CA . ? 0.1427 0.1428 0.1504 -0.0012 0.0068 -0.0002 288 HOH D O 18167 O O . HOH CA . ? 0.1763 0.1787 0.1694 0.0008 0.0142 0.0025 290 HOH D O 18168 O O . HOH CA . ? 0.2046 0.1962 0.1816 0.0096 0.0079 -0.0127 291 HOH D O 18169 O O . HOH CA . ? 0.1652 0.1503 0.1652 0.0008 0.0032 -0.0036 293 HOH D O 18170 O O . HOH CA . ? 0.2037 0.2137 0.2098 0.0018 0.0133 0.0011 317 HOH D O 18171 O O . HOH CA . ? 0.2062 0.2151 0.1972 0.0059 0.0167 -0.0010 344 HOH D O 18172 O O . HOH CA . ? 0.2018 0.2050 0.2054 -0.0047 0.0116 0.0037 354 HOH D O 18173 O O . HOH CA . ? 0.1688 0.1548 0.1680 0.0019 0.0045 -0.0039 367 HOH D O 18174 O O . HOH CA . ? 0.2591 0.2576 0.2734 0.0162 0.0101 -0.0069 511 HOH D O 18175 O O . HOH CA . ? 0.2482 0.2412 0.2616 0.0129 0.0071 -0.0056 512 HOH D O 18176 O O . HOH CA . ? 0.2407 0.2297 0.2474 0.0078 0.0054 -0.0056 513 HOH D O 18177 O O . HOH CA . ? 0.2738 0.2783 0.2796 -0.0049 0.0109 0.0032 514 HOH D O 18178 O O . HOH CA . ? 0.3844 0.3879 0.3857 0.0136 0.0143 -0.0089 515 HOH D O 18179 O O . HOH CA . ? 0.4664 0.4692 0.4541 0.0140 0.0154 -0.0123 516 HOH D O 18180 O O . HOH CA . ? 0.2596 0.2534 0.2424 0.0112 0.0106 -0.0131 517 HOH D O 18181 O O . HOH CA . ? 0.2778 0.2646 0.2602 0.0105 0.0068 -0.0160 518 HOH D O 18182 O O . HOH CA . ? 0.2777 0.2677 0.2598 0.0118 0.0088 -0.0163 519 HOH D O 18183 O O . HOH CA . ? 0.2460 0.2334 0.2347 0.0126 0.0086 -0.0163 520 HOH D O 18184 O O . HOH CA . ? 0.3112 0.2933 0.3040 0.0134 0.0071 -0.0180 521 HOH D O 18185 O O . HOH CA . ? 0.3321 0.3158 0.3346 0.0047 0.0030 -0.0058 522 HOH D O 18186 O O . HOH CA . ? 0.3282 0.3105 0.3296 0.0041 0.0023 -0.0060 523 HOH D O 18187 O O . HOH CA . ? 0.2952 0.2781 0.2971 0.0027 0.0016 -0.0047 524 HOH D O 18188 O O . HOH CA . ? 0.3040 0.2861 0.2998 -0.0030 0.0058 -0.0008 525 HOH D O 18189 O O . HOH CA . ? 0.1648 0.1612 0.1511 0.0027 0.0123 0.0010 526 HOH D O 18190 O O . HOH CA . ? 0.2568 0.2544 0.2449 0.0001 0.0133 0.0044 527 HOH D O 18191 O O . HOH CA . ? 0.4016 0.3927 0.3913 -0.0008 0.0109 0.0033 528 HOH D O 18192 O O . HOH CA . ? 0.4282 0.4140 0.4144 0.0011 0.0085 0.0019 529 HOH D O 18193 O O . HOH CA . ? 0.4770 0.4560 0.4709 0.0006 0.0032 -0.0032 530 HOH D O 18194 O O . HOH CA . ? 0.2758 0.2821 0.2629 0.0049 0.0160 0.0002 532 HOH D O 18195 O O . HOH CA . ? 0.3615 0.3697 0.3491 0.0067 0.0167 -0.0017 533 HOH D O 18196 O O . HOH CA . ? 0.3393 0.3527 0.3315 0.0063 0.0183 -0.0005 534 HOH D O 18197 O O . HOH CA . ? 0.2564 0.2452 0.2448 0.0003 0.0097 0.0020 535 HOH D O 18198 O O . HOH CA . ? 0.3221 0.3016 0.3151 0.0021 0.0023 -0.0041 536 HOH D O 18199 O O . HOH CA . ? 0.3257 0.3083 0.3246 0.0003 0.0014 -0.0039 537 HOH D O 18200 O O . HOH CA . ? 0.2539 0.2383 0.2536 -0.0011 0.0018 -0.0035 538 HOH D O 18201 O O . HOH CA . ? 0.2899 0.2856 0.2637 0.0094 0.0093 -0.0102 539 HOH D O 18202 O O . HOH CA . ? 0.3557 0.3330 0.3504 0.0046 -0.0001 -0.0109 540 HOH D O 18203 O O . HOH CA . ? 0.3279 0.3298 0.3074 0.0071 0.0139 -0.0031 541 HOH D O 18204 O O . HOH CA . ? 0.4745 0.4788 0.4541 0.0084 0.0149 -0.0047 542 HOH D O 18205 O O . HOH CA . ? 0.2998 0.3004 0.2765 0.0073 0.0129 -0.0035 543 HOH D O 18206 O O . HOH CA . ? 0.2489 0.2429 0.2509 -0.0074 0.0087 0.0026 544 HOH D O 18207 O O . HOH CA . ? 0.2721 0.2555 0.2760 0.0097 0.0050 -0.0094 545 HOH D O 18208 O O . HOH CA . ? 0.2549 0.2378 0.2566 0.0087 0.0047 -0.0095 546 HOH D O 18209 O O . HOH CA . ? 0.3750 0.3612 0.3806 0.0105 0.0060 -0.0085 547 HOH D O 18210 O O . HOH CA . ? 0.3194 0.3034 0.3229 0.0128 0.0067 -0.0119 548 HOH D O 18211 O O . HOH CA . ? 0.2727 0.2567 0.2734 0.0131 0.0072 -0.0135 549 HOH D O 18212 O O . HOH CA . ? 0.2792 0.2538 0.2747 0.0096 0.0023 -0.0169 550 HOH D O 18213 O O . HOH CA . ? 0.4725 0.4461 0.4727 0.0098 0.0021 -0.0150 551 HOH D O 18214 O O . HOH CA . ? 0.3072 0.2809 0.3043 0.0077 0.0009 -0.0150 552 HOH D O 18215 O O . HOH CA . ? 0.3403 0.3141 0.3433 0.0087 0.0014 -0.0124 553 HOH D O 18216 O O . HOH CA . ? 0.2629 0.2416 0.2658 0.0124 0.0049 -0.0136 554 HOH D O 18217 O O . HOH CA . ? 0.3175 0.2958 0.3183 0.0139 0.0057 -0.0162 555 HOH D O 18218 O O . HOH CA . ? 0.3974 0.3874 0.4053 0.0172 0.0098 -0.0121 556 HOH D O 18219 O O . HOH CA . ? 0.2962 0.2871 0.3098 0.0176 0.0088 -0.0093 557 HOH D O 18220 O O . HOH CA . ? 0.3652 0.3714 0.3754 0.0121 0.0125 -0.0051 558 HOH D O 18221 O O . HOH CA . ? 0.2413 0.2524 0.2543 0.0076 0.0118 -0.0012 559 HOH D O 18222 O O . HOH CA . ? 0.2597 0.2683 0.2748 0.0050 0.0084 0.0002 560 HOH D O 18223 O O . HOH CA . ? 0.3641 0.3773 0.3789 0.0021 0.0099 0.0015 561 HOH D O 18224 O O . HOH CA . ? 0.4249 0.4331 0.4356 -0.0031 0.0091 0.0020 562 HOH D O 18225 O O . HOH CA . ? 0.2209 0.2274 0.2364 0.0061 0.0076 -0.0002 563 HOH D O 18226 O O . HOH CA . ? 0.3977 0.3972 0.4134 0.0087 0.0059 -0.0013 564 HOH D O 18227 O O . HOH CA . ? 0.2320 0.2209 0.2440 0.0050 0.0014 -0.0008 566 HOH D O 18228 O O . HOH CA . ? 0.2980 0.2851 0.3073 0.0037 0.0011 -0.0017 567 HOH D O 18229 O O . HOH CA . ? 0.3623 0.3451 0.3537 -0.0005 0.0070 0.0001 610 HOH D O 18230 O O . HOH CA . ? 0.2175 0.2225 0.2175 0.0067 0.0137 -0.0032 619 HOH D O 18231 O O . HOH CA . ? 0.2832 0.2850 0.2908 -0.0070 0.0079 0.0020 621 HOH D O 18232 O O . HOH CA . ? 0.2700 0.2504 0.2654 0.0016 0.0021 -0.0044 641 HOH D O 18233 O O . HOH CA . ? 0.3132 0.2994 0.3198 0.0029 0.0014 -0.0026 642 HOH D O 18234 O O . HOH CA . ? 0.3505 0.3478 0.3356 0.0019 0.0130 0.0030 654 HOH D O 18235 O O . HOH CA . ? 0.2936 0.3022 0.3076 -0.0034 0.0048 0.0017 656 HOH D O 18236 O O . HOH CA . ? 0.3846 0.3667 0.3691 0.0090 0.0038 -0.0164 663 HOH D O 18237 O O . HOH CA . ? 0.3426 0.3253 0.3275 0.0031 0.0056 -0.0008 678 HOH D O 18238 O O . HOH CA . ? 0.3536 0.3371 0.3597 0.0083 0.0039 -0.0072 685 HOH D O 18239 O O . HOH CA . ? 0.3568 0.3384 0.3413 0.0065 0.0017 -0.0130 692 HOH D O 18240 O O . HOH CA . ? 0.3821 0.3673 0.3848 0.0009 0.0014 -0.0032 715 HOH D O 18241 O O . HOH CA . ? 0.4734 0.4492 0.4735 0.0125 0.0043 -0.0162 716 HOH D O 18242 O O . HOH CA . ? 0.3543 0.3409 0.3469 0.0142 0.0091 -0.0169 717 HOH D O 18243 O O . HOH CA . ? 0.3111 0.3003 0.2885 0.0059 0.0064 -0.0037 725 HOH D O 18244 O O . HOH CA . ? 0.4683 0.4576 0.4529 0.0137 0.0096 -0.0182 734 HOH D O 18245 O O . HOH CA . ? 0.3695 0.3778 0.3741 -0.0015 0.0131 0.0028 737 HOH D O 18246 O O . HOH CA . ? 0.3766 0.3591 0.3777 0.0020 0.0012 -0.0044 739 HOH D O 18247 O O . HOH CA . ? 0.3672 0.3510 0.3718 0.0038 0.0019 -0.0044 749 HOH D O 18248 O O . HOH CA . ? 0.3068 0.2902 0.3009 -0.0022 0.0070 0.0002 751 HOH D O 18249 O O . HOH CA . ? 0.3827 0.3909 0.3805 -0.0033 0.0159 0.0068 760 HOH D O 18250 O O . HOH CA . ? 0.2756 0.2658 0.2778 -0.0048 0.0048 -0.0014 764 HOH D O 18251 O O . HOH CA . ? 0.3596 0.3460 0.3401 0.0096 0.0057 -0.0156 771 HOH D O 18252 O O . HOH CA . ? 0.4573 0.4567 0.4418 0.0012 0.0141 0.0048 782 HOH D O 18253 O O . HOH CA . ? 0.3880 0.3631 0.3816 0.0061 -0.0001 -0.0147 790 HOH D O 18254 O O . HOH CA . ? 0.4160 0.4021 0.4118 -0.0043 0.0082 0.0018 795 HOH D O 18255 O O . HOH CA . ? 0.3535 0.3587 0.3645 -0.0063 0.0053 0.0012 799 HOH D O 18256 O O . HOH CA . ? 0.3233 0.3308 0.3379 0.0092 0.0100 -0.0019 800 HOH D O 18257 O O . HOH CA . ? 0.3636 0.3717 0.3649 -0.0031 0.0146 0.0051 802 HOH D O 18258 O O . HOH CA . ? 0.3497 0.3364 0.3573 0.0092 0.0050 -0.0066 803 HOH D O 18259 O O . HOH CA . ? 0.3898 0.3730 0.3881 -0.0042 0.0043 -0.0023 804 HOH D O 18260 O O . HOH CA . ? 0.4593 0.4468 0.4598 -0.0056 0.0053 -0.0011 807 HOH D O 18261 O O . HOH CA . ? 0.4023 0.3769 0.3948 0.0112 0.0030 -0.0201 821 HOH D O 18262 O O . HOH CA . ? 0.3597 0.3441 0.3566 -0.0038 0.0064 -0.0002 832 HOH D O 18263 O O . HOH CA . ? 0.3305 0.3219 0.3449 0.0115 0.0054 -0.0041 833 HOH D O 18264 O O . HOH CA . ? 0.4319 0.4336 0.4484 0.0101 0.0071 -0.0017 837 HOH D O 18265 O O . HOH CA . ? 0.4034 0.4018 0.4180 0.0130 0.0084 -0.0046 877 HOH D O 18266 O O . HOH CA . ? 0.4276 0.4293 0.4360 -0.0065 0.0066 0.0012 878 HOH D O 18267 O O . HOH CA . ? 0.3068 0.2890 0.3041 -0.0010 0.0033 -0.0033 879 HOH D O 18268 O O . HOH CA . ? 0.3838 0.3885 0.3693 0.0014 0.0160 0.0053 880 HOH D O 18269 O O . HOH CA . ? 0.4507 0.4301 0.4458 -0.0010 0.0037 -0.0029 881 HOH D O 18270 O O . HOH CA . ? 0.3397 0.3205 0.3368 0.0027 0.0015 -0.0058 882 HOH D O 18271 O O . HOH CA . ? 0.4032 0.3978 0.3739 0.0086 0.0072 -0.0093 883 HOH D O 18272 O O . HOH CA . ? 0.4105 0.3950 0.4063 -0.0039 0.0073 0.0008 884 HOH D O 18273 O O . HOH CA . ? 0.4531 0.4326 0.4596 0.0118 0.0043 -0.0109 885 HOH D O 18274 O O . HOH CA . ? 0.2904 0.2860 0.3001 0.0169 0.0109 -0.0099 886 HOH D O 18275 O O . HOH CA . ? 0.3691 0.3843 0.3831 0.0008 0.0112 0.0022 887 HOH D O 18276 O O . HOH CA . ? 0.4108 0.4008 0.4027 -0.0023 0.0105 0.0037 906 HOH D O 18277 O O . HOH CA . ? 0.6021 0.5847 0.5938 -0.0024 0.0079 0.0022 908 HOH D O 18278 O O . HOH CA . ? 0.3201 0.3035 0.3178 -0.0004 0.0037 -0.0032 914 HOH D O 18279 O O . HOH CA . ? 0.3822 0.3660 0.3803 0.0005 0.0036 -0.0036 915 HOH D O 18280 O O . HOH CA . ? 0.3416 0.3226 0.3464 0.0129 0.0056 -0.0122 922 HOH D O 18281 O O . HOH CA . ? 0.3603 0.3504 0.3544 -0.0041 0.0105 0.0043 931 HOH D O 18282 O O . HOH CA . ? 0.3461 0.3275 0.3432 -0.0007 0.0027 -0.0036 937 HOH D O 18283 O O . HOH CA . ? 0.3856 0.3772 0.3570 0.0071 0.0046 -0.0052 942 HOH D O 18284 O O . HOH CA . ? 0.4076 0.3937 0.4070 -0.0060 0.0060 -0.0003 945 HOH D O 18285 O O . HOH CA . ? 0.3644 0.3527 0.3767 0.0044 0.0006 0.0000 948 HOH D O 18286 O O . HOH CA . ? 0.4084 0.3941 0.3981 0.0138 0.0085 -0.0182 951 HOH D O 18287 O O . HOH CA . ? 0.3577 0.3465 0.3713 0.0066 0.0018 -0.0009 954 HOH D O 18288 O O . HOH CA . ? 0.3944 0.3780 0.3920 -0.0051 0.0060 -0.0004 958 HOH D O 18289 O O . HOH CA . ? 0.4233 0.4281 0.4066 0.0031 0.0158 0.0035 973 HOH D O 18290 O O . HOH CA . ? 0.5297 0.5131 0.5394 0.0137 0.0057 -0.0097 978 HOH D O 18291 O O . HOH CA . ? 0.3983 0.3786 0.3836 0.0070 0.0015 -0.0149 979 HOH D O 18292 O O . HOH CA . ? 0.4370 0.4231 0.4493 0.0119 0.0048 -0.0062 995 HOH D O 18293 O O . HOH CA . ? 0.4336 0.4115 0.4253 0.0021 0.0025 -0.0030 1088 HOH D O 18294 O O . HOH CA . ? 0.4352 0.4146 0.4288 0.0032 -0.0002 -0.0074 1106 HOH D O 18295 O O . HOH CA . ? 0.4979 0.4817 0.4797 0.0090 0.0041 -0.0162 1131 HOH D O 18296 O O . HOH CA . ? 0.4862 0.4737 0.4671 0.0117 0.0074 -0.0179 1132 HOH D O 18297 O O . HOH CA . ? 0.4056 0.3885 0.3921 0.0108 0.0057 -0.0174 1133 HOH D O 18298 O O . HOH CA . ? 0.4723 0.4553 0.4605 0.0118 0.0064 -0.0178 1134 HOH D O 18299 O O . HOH CA . ? 0.4381 0.4187 0.4270 0.0112 0.0051 -0.0183 1135 HOH D O 18300 O O . HOH CA . ? 0.4871 0.4713 0.4945 0.0112 0.0053 -0.0087 1136 HOH D O 18301 O O . HOH CA . ? 0.4867 0.4711 0.4965 0.0107 0.0044 -0.0070 1137 HOH D O 18302 O O . HOH CA . ? 0.3980 0.3994 0.4069 -0.0064 0.0049 0.0005 1139 HOH D O 18303 O O . HOH CA . ? 0.5023 0.5073 0.5120 -0.0062 0.0077 0.0021 1140 HOH D O 18304 O O . HOH CA . ? 0.4118 0.4173 0.4131 0.0044 0.0133 -0.0014 1141 HOH D O 18305 O O . HOH CA . ? 0.5146 0.5225 0.5167 0.0059 0.0142 -0.0019 1142 HOH D O 18306 O O . HOH CA . ? 0.5112 0.5231 0.5156 0.0060 0.0151 -0.0011 1143 HOH D O 18307 O O . HOH CA . ? 0.5092 0.5154 0.5075 0.0095 0.0149 -0.0054 1144 HOH D O 18308 O O . HOH CA . ? 0.5123 0.5205 0.5066 0.0106 0.0164 -0.0062 1145 HOH D O 18309 O O . HOH CA . ? 0.5240 0.5238 0.5173 0.0132 0.0138 -0.0112 1146 HOH D O 18310 O O . HOH CA . ? 0.4932 0.4870 0.4914 0.0146 0.0115 -0.0130 1147 HOH D O 18311 O O . HOH CA . ? 0.4329 0.4214 0.4309 0.0159 0.0102 -0.0157 1148 HOH D O 18312 O O . HOH CA . ? 0.4211 0.4226 0.3995 0.0118 0.0138 -0.0114 1149 HOH D O 18313 O O . HOH CA . ? 0.4700 0.4660 0.4529 0.0125 0.0120 -0.0140 1150 HOH D O 18314 O O . HOH CA . ? 0.4727 0.4659 0.4582 0.0152 0.0119 -0.0180 1151 HOH D O 18315 O O . HOH CA . ? 0.5876 0.5775 0.5735 0.0154 0.0106 -0.0197 1152 HOH D O 18316 O O . HOH CA . ? 0.4930 0.4899 0.4740 0.0117 0.0119 -0.0128 1153 HOH D O 18317 O O . HOH CA . ? 0.5441 0.5265 0.5417 -0.0051 0.0052 -0.0013 1155 HOH D O 18318 O O . HOH CA . ? 0.3392 0.3514 0.3362 -0.0002 0.0172 0.0051 1156 HOH D O 18319 O O . HOH CA . ? 0.4752 0.4823 0.4592 0.0047 0.0165 0.0013 1157 HOH D O 18320 O O . HOH CA . ? 0.4287 0.4250 0.4179 -0.0014 0.0132 0.0057 1158 HOH D O 18321 O O . HOH CA . ? 0.4272 0.4084 0.4242 0.0000 0.0023 -0.0039 1159 HOH D O 18322 O O . HOH CA . ? 0.4168 0.3969 0.4131 0.0032 0.0013 -0.0066 1160 HOH D O 18323 O O . HOH CA . ? 0.4616 0.4419 0.4598 0.0029 0.0010 -0.0062 1161 HOH D O 18324 O O . HOH CA . ? 0.4201 0.4010 0.4187 0.0023 0.0011 -0.0053 1162 HOH D O 18325 O O . HOH CA . ? 0.4856 0.4650 0.4834 0.0034 0.0006 -0.0072 1163 HOH D O 18326 O O . HOH CA . ? 0.5243 0.5029 0.5250 0.0037 0.0002 -0.0073 1164 HOH D O 18327 O O . HOH CA . ? 0.5693 0.5501 0.5714 0.0040 0.0013 -0.0062 1165 HOH D O 18328 O O . HOH CA . ? 0.5882 0.5683 0.5913 0.0056 0.0018 -0.0072 1166 HOH D O 18329 O O . HOH CA . ? 0.5558 0.5382 0.5585 0.0036 0.0017 -0.0052 1167 HOH D O 18330 O O . HOH CA . ? 0.5327 0.5181 0.5222 -0.0005 0.0086 0.0019 1168 HOH D O 18331 O O . HOH CA . ? 0.5545 0.5354 0.5530 0.0018 0.0005 -0.0050 1169 HOH D O 18332 O O . HOH CA . ? 0.4722 0.4718 0.4432 0.0090 0.0109 -0.0072 1170 HOH D O 18333 O O . HOH CA . ? 0.5195 0.5174 0.4942 0.0064 0.0113 -0.0018 1171 HOH D O 18334 O O . HOH CA . ? 0.5251 0.5166 0.5020 0.0051 0.0084 -0.0006 1172 HOH D O 18335 O O . HOH CA . ? 0.5071 0.4971 0.5076 -0.0076 0.0080 0.0021 1174 HOH D O 18336 O O . HOH CA . ? 0.4092 0.4072 0.4149 -0.0088 0.0078 0.0022 1175 HOH D O 18337 O O . HOH CA . ? 0.4600 0.4334 0.4559 0.0065 -0.0002 -0.0149 1177 HOH D O 18338 O O . HOH CA . ? 0.5125 0.4853 0.5124 0.0080 0.0008 -0.0142 1178 HOH D O 18339 O O . HOH CA . ? 0.4138 0.4107 0.4128 0.0139 0.0123 -0.0112 1180 HOH D O 18340 O O . HOH CA . ? 0.4329 0.4248 0.4336 0.0161 0.0111 -0.0139 1181 HOH D O 18341 O O . HOH CA . ? 0.4760 0.4865 0.4853 0.0113 0.0141 -0.0041 1182 HOH D O 18342 O O . HOH CA . ? 0.5295 0.5445 0.5426 0.0078 0.0134 -0.0008 1183 HOH D O 18343 O O . HOH CA . ? 0.5002 0.5144 0.5149 0.0049 0.0114 0.0006 1184 HOH D O 18344 O O . HOH CA . ? 0.4378 0.4492 0.4537 0.0059 0.0096 0.0002 1185 HOH D O 18345 O O . HOH CA . ? 0.4133 0.4239 0.4282 0.0081 0.0107 -0.0010 1186 HOH D O 18346 O O . HOH CA . ? 0.3868 0.3991 0.4014 -0.0018 0.0082 0.0023 1187 HOH D O 18347 O O . HOH CA . ? 0.3945 0.4046 0.4091 0.0020 0.0082 0.0011 1189 HOH D O 18348 O O . HOH CA . ? 0.5035 0.5156 0.5157 -0.0029 0.0103 0.0028 1190 HOH D O 18349 O O . HOH CA . ? 0.4628 0.4678 0.4793 0.0070 0.0067 0.0000 1191 HOH D O 18350 O O . HOH CA . ? 0.4396 0.4446 0.4565 0.0060 0.0057 0.0006 1192 HOH D O 18351 O O . HOH CA . ? 0.5316 0.5330 0.5467 0.0110 0.0082 -0.0030 1194 HOH D O 18352 O O . HOH CA . ? 0.4274 0.4294 0.4451 0.0068 0.0042 0.0011 1195 HOH D O 18353 O O . HOH CA . ? 0.5106 0.5019 0.5255 0.0147 0.0070 -0.0062 1339 HOH D O 18354 O O . HOH CA . ? 0.5972 0.6069 0.5969 0.0135 0.0168 -0.0078 1340 HOH D O 18355 O O . HOH CA . ? 0.5699 0.5771 0.5712 0.0143 0.0158 -0.0087 1341 HOH D O 18356 O O . HOH CA . ? 0.5916 0.5906 0.5765 0.0125 0.0134 -0.0123 1342 HOH D O 18357 O O . HOH CA . ? 0.6360 0.6330 0.6232 0.0133 0.0128 -0.0136 1343 HOH D O 18358 O O . HOH CA . ? 0.5225 0.5011 0.5149 0.0015 0.0030 -0.0031 1344 HOH D O 18359 O O . HOH CA . ? 0.5991 0.5764 0.5902 0.0011 0.0038 -0.0019 1345 HOH D O 18360 O O . HOH CA . ? 0.6349 0.6132 0.6284 -0.0020 0.0052 -0.0009 1346 HOH D O 18361 O O . HOH CA . ? 0.4449 0.4313 0.4225 0.0088 0.0041 -0.0156 1348 HOH D O 18362 O O . HOH CA . ? 0.5386 0.5536 0.5333 0.0074 0.0186 -0.0014 1349 HOH D O 18363 O O . HOH CA . ? 0.5453 0.5194 0.5508 0.0085 0.0011 -0.0106 1350 HOH D O 18364 O O . HOH CA . ? 0.4441 0.4346 0.4184 0.0063 0.0060 -0.0031 1383 HOH D O 18365 O O . HOH CA . ? 0.3428 0.3497 0.3450 0.0028 0.0135 0.0001 1400 HOH D O 18366 O O . HOH CA . ? 0.4279 0.4222 0.4253 -0.0054 0.0111 0.0046 1401 HOH D O 18367 O O . HOH CA . ? 0.4544 0.4295 0.4454 0.0062 -0.0005 -0.0162 1402 HOH D O 18368 O O . HOH CA . ? 0.2991 0.2784 0.2915 0.0037 -0.0001 -0.0083 1410 HOH D O 18369 O O . HOH CA . ? 0.3869 0.3838 0.3678 0.0030 0.0126 0.0029 1412 HOH D O 18370 O O . HOH CA . ? 0.4626 0.4501 0.4635 -0.0040 0.0040 -0.0022 1422 HOH D O 18371 O O . HOH CA . ? 0.4250 0.4212 0.4292 -0.0087 0.0083 0.0027 1425 HOH D O 18372 O O . HOH CA . ? 0.4260 0.4176 0.3970 0.0076 0.0040 -0.0085 1432 HOH D O 18373 O O . HOH CA . ? 0.4138 0.4086 0.3901 0.0056 0.0101 -0.0010 1434 HOH D O 18374 O O . HOH CA . ? 0.4496 0.4444 0.4326 0.0019 0.0121 0.0036 1438 HOH D O 18375 O O . HOH CA . ? 0.4251 0.4145 0.3994 0.0087 0.0048 -0.0135 1442 HOH D O 18376 O O . HOH CA . ? 0.4400 0.4355 0.4346 0.0160 0.0130 -0.0150 1448 HOH D O 18377 O O . HOH CA . ? 0.4309 0.4170 0.4421 0.0152 0.0069 -0.0094 1450 HOH D O 18378 O O . HOH CA . ? 0.4049 0.4131 0.4124 -0.0033 0.0116 0.0030 1451 HOH D O 18379 O O . HOH CA . ? 0.4714 0.4479 0.4582 0.0087 0.0013 -0.0198 1453 HOH D O 18380 O O . HOH CA . ? 0.6514 0.6569 0.6383 0.0159 0.0169 -0.0139 1513 HOH D O 18381 O O . HOH CA . ? 0.6277 0.6395 0.6144 0.0111 0.0184 -0.0063 1514 HOH D O 18382 O O . HOH CA . ? 0.3987 0.3931 0.3737 0.0104 0.0091 -0.0130 1515 HOH D O 18383 O O . HOH CA . ? 0.5652 0.5795 0.5626 0.0071 0.0179 -0.0014 1519 HOH D O 18384 O O . HOH CA . ? 0.6059 0.6194 0.6098 0.0083 0.0162 -0.0024 1521 HOH D O 18385 O O . HOH CA . ? 0.4967 0.4921 0.4982 -0.0074 0.0098 0.0037 1522 HOH D O 18386 O O . HOH CA . ? 0.5067 0.4976 0.4969 0.0165 0.0116 -0.0188 1523 HOH D O 18387 O O . HOH CA . ? 0.5711 0.5473 0.5594 0.0070 0.0000 -0.0176 1524 HOH D O 18388 O O . HOH CA . ? 0.4000 0.3830 0.3906 0.0067 0.0045 -0.0103 1525 HOH D O 18389 O O . HOH CA . ? 0.6629 0.6820 0.6734 0.0050 0.0157 0.0011 1526 HOH D O 18390 O O . HOH CA . ? 0.5671 0.5852 0.5821 0.0022 0.0124 0.0023 1527 HOH D O 18391 O O . HOH CA . ? 0.4834 0.4975 0.4994 0.0044 0.0103 0.0010 1528 HOH D O 18392 O O . HOH CA . ? 0.5871 0.5978 0.6000 -0.0036 0.0086 0.0025 1529 HOH D O 18393 O O . HOH DA . ? 0.2580 0.2481 0.2608 -0.0036 0.0031 -0.0022 208 HOH E O 18394 O O . HOH DA . ? 0.1965 0.1889 0.2006 -0.0038 0.0037 -0.0016 209 HOH E O 18395 O O . HOH DA . ? 0.1520 0.1459 0.1526 -0.0045 -0.0002 -0.0032 210 HOH E O 18396 O O . HOH DA . ? 0.1862 0.1811 0.1828 -0.0051 -0.0001 -0.0061 211 HOH E O 18397 O O . HOH DA . ? 0.1128 0.1202 0.1176 -0.0044 -0.0027 0.0048 212 HOH E O 18398 O O . HOH DA . ? 0.1530 0.1510 0.1502 -0.0059 -0.0006 -0.0053 213 HOH E O 18399 O O . HOH DA . ? 0.1908 0.1892 0.1865 -0.0068 -0.0007 -0.0068 214 HOH E O 18400 O O . HOH DA . ? 0.2477 0.2433 0.2428 -0.0074 -0.0005 -0.0082 215 HOH E O 18401 O O . HOH DA . ? 0.1098 0.1089 0.1088 -0.0055 -0.0009 -0.0035 216 HOH E O 18402 O O . HOH DA . ? 0.1715 0.1657 0.1748 -0.0035 -0.0002 -0.0015 217 HOH E O 18403 O O . HOH DA . ? 0.0980 0.0879 0.1022 -0.0006 0.0025 -0.0022 218 HOH E O 18404 O O . HOH DA . ? 0.2050 0.2070 0.2202 0.0032 0.0030 0.0015 219 HOH E O 18405 O O . HOH DA . ? 0.1974 0.2012 0.1920 -0.0069 -0.0011 -0.0065 220 HOH E O 18406 O O . HOH DA . ? 0.2257 0.2497 0.2415 -0.0044 -0.0054 0.0102 221 HOH E O 18407 O O . HOH DA . ? 0.2022 0.2261 0.2042 -0.0078 -0.0052 0.0061 222 HOH E O 18408 O O . HOH DA . ? 0.2094 0.2409 0.2271 -0.0127 -0.0049 0.0045 223 HOH E O 18409 O O . HOH DA . ? 0.1552 0.1554 0.1461 -0.0104 -0.0015 -0.0125 224 HOH E O 18410 O O . HOH DA . ? 0.1276 0.1270 0.1287 -0.0143 -0.0016 -0.0069 225 HOH E O 18411 O O . HOH DA . ? 0.1163 0.1211 0.1186 -0.0139 -0.0025 -0.0056 226 HOH E O 18412 O O . HOH DA . ? 0.1475 0.1725 0.1519 -0.0138 -0.0064 -0.0004 227 HOH E O 18413 O O . HOH DA . ? 0.1438 0.1317 0.1475 0.0000 0.0018 -0.0025 228 HOH E O 18414 O O . HOH DA . ? 0.2835 0.2858 0.2930 -0.0070 0.0034 0.0001 229 HOH E O 18415 O O . HOH DA . ? 0.1842 0.1761 0.1845 -0.0057 0.0004 -0.0043 230 HOH E O 18416 O O . HOH DA . ? 0.2698 0.2602 0.2694 -0.0042 0.0004 -0.0042 231 HOH E O 18417 O O . HOH DA . ? 0.1840 0.1852 0.1786 -0.0076 -0.0011 -0.0076 232 HOH E O 18418 O O . HOH DA . ? 0.2978 0.2942 0.2907 -0.0088 -0.0008 -0.0108 233 HOH E O 18419 O O . HOH DA . ? 0.1541 0.1539 0.1503 -0.0145 -0.0026 -0.0105 234 HOH E O 18420 O O . HOH DA . ? 0.3177 0.3083 0.3146 -0.0044 0.0005 -0.0062 235 HOH E O 18421 O O . HOH DA . ? 0.2598 0.2514 0.2604 -0.0046 0.0004 -0.0037 236 HOH E O 18422 O O . HOH DA . ? 0.1475 0.1429 0.1534 -0.0045 0.0035 -0.0011 237 HOH E O 18423 O O . HOH DA . ? 0.1668 0.1612 0.1771 0.0024 0.0025 -0.0005 238 HOH E O 18424 O O . HOH DA . ? 0.2096 0.2015 0.2141 -0.0017 -0.0005 -0.0005 239 HOH E O 18425 O O . HOH DA . ? 0.1878 0.1877 0.2025 0.0024 0.0012 0.0024 240 HOH E O 18426 O O . HOH DA . ? 0.3171 0.3129 0.3322 0.0060 0.0028 0.0003 241 HOH E O 18427 O O . HOH DA . ? 0.1430 0.1388 0.1337 -0.0096 -0.0008 -0.0134 242 HOH E O 18428 O O . HOH DA . ? 0.3853 0.3769 0.3843 -0.0107 0.0000 -0.0071 243 HOH E O 18429 O O . HOH DA . ? 0.2576 0.2614 0.2593 -0.0172 -0.0029 -0.0076 244 HOH E O 18430 O O . HOH DA . ? 0.1348 0.1501 0.1569 0.0025 0.0030 0.0048 245 HOH E O 18431 O O . HOH DA . ? 0.2182 0.2146 0.2150 -0.0146 -0.0020 -0.0105 246 HOH E O 18432 O O . HOH DA . ? 0.2615 0.2558 0.2690 -0.0014 -0.0013 0.0020 247 HOH E O 18433 O O . HOH DA . ? 0.2876 0.2749 0.2935 0.0021 0.0017 -0.0025 248 HOH E O 18434 O O . HOH DA . ? 0.2528 0.2740 0.2764 0.0004 0.0036 0.0054 249 HOH E O 18435 O O . HOH DA . ? 0.1699 0.1951 0.1816 -0.0098 -0.0054 0.0045 250 HOH E O 18436 O O . HOH DA . ? 0.2503 0.2660 0.2749 0.0041 0.0006 0.0075 251 HOH E O 18437 O O . HOH DA . ? 0.0878 0.0924 0.0886 -0.0118 -0.0024 -0.0053 252 HOH E O 18438 O O . HOH DA . ? 0.1049 0.1009 0.1077 -0.0037 -0.0007 -0.0011 253 HOH E O 18439 O O . HOH DA . ? 0.0936 0.1012 0.0934 -0.0093 -0.0028 -0.0034 254 HOH E O 18440 O O . HOH DA . ? 0.1619 0.1527 0.1584 -0.0060 0.0003 -0.0072 255 HOH E O 18441 O O . HOH DA . ? 0.1205 0.1267 0.1250 -0.0074 -0.0022 -0.0006 256 HOH E O 18442 O O . HOH DA . ? 0.1974 0.1848 0.1959 -0.0045 0.0010 -0.0051 257 HOH E O 18443 O O . HOH DA . ? 0.1143 0.1189 0.1171 -0.0042 -0.0019 0.0024 258 HOH E O 18444 O O . HOH DA . ? 0.0983 0.1058 0.1036 -0.0086 -0.0023 -0.0009 259 HOH E O 18445 O O . HOH DA . ? 0.1865 0.1986 0.1862 -0.0165 -0.0047 -0.0074 260 HOH E O 18446 O O . HOH DA . ? 0.1014 0.0992 0.1010 -0.0036 -0.0005 -0.0022 261 HOH E O 18447 O O . HOH DA . ? 0.1309 0.1461 0.1443 -0.0121 -0.0007 0.0009 262 HOH E O 18448 O O . HOH DA . ? 0.1302 0.1336 0.1451 0.0015 0.0023 0.0020 263 HOH E O 18449 O O . HOH DA . ? 0.1345 0.1561 0.1521 -0.0026 -0.0050 0.0114 264 HOH E O 18450 O O . HOH DA . ? 0.1689 0.1717 0.1613 -0.0095 -0.0017 -0.0101 265 HOH E O 18451 O O . HOH DA . ? 0.0946 0.0894 0.1047 0.0001 -0.0005 0.0018 266 HOH E O 18452 O O . HOH DA . ? 0.1285 0.1387 0.1263 -0.0090 -0.0029 -0.0035 267 HOH E O 18453 O O . HOH DA . ? 0.1137 0.1231 0.1215 -0.0108 -0.0019 -0.0011 268 HOH E O 18454 O O . HOH DA . ? 0.1792 0.1873 0.1921 -0.0069 0.0038 0.0015 273 HOH E O 18455 O O . HOH DA . ? 0.1419 0.1378 0.1502 -0.0009 0.0023 -0.0005 276 HOH E O 18456 O O . HOH DA . ? 0.1725 0.1762 0.1804 -0.0121 0.0004 -0.0018 280 HOH E O 18457 O O . HOH DA . ? 0.1843 0.1773 0.1873 -0.0028 -0.0003 -0.0014 282 HOH E O 18458 O O . HOH DA . ? 0.1427 0.1374 0.1520 0.0010 0.0022 -0.0004 285 HOH E O 18459 O O . HOH DA . ? 0.1372 0.1308 0.1387 -0.0034 -0.0003 -0.0022 297 HOH E O 18460 O O . HOH DA . ? 0.2227 0.2137 0.2243 -0.0029 0.0001 -0.0025 299 HOH E O 18461 O O . HOH DA . ? 0.2141 0.2406 0.2286 -0.0036 -0.0071 0.0173 300 HOH E O 18462 O O . HOH DA . ? 0.1232 0.1254 0.1361 -0.0007 -0.0022 0.0058 301 HOH E O 18463 O O . HOH DA . ? 0.1353 0.1365 0.1533 0.0028 -0.0017 0.0072 302 HOH E O 18464 O O . HOH DA . ? 0.1870 0.1780 0.1849 -0.0095 0.0000 -0.0074 309 HOH E O 18465 O O . HOH DA . ? 0.1384 0.1342 0.1394 -0.0028 -0.0005 -0.0014 313 HOH E O 18466 O O . HOH DA . ? 0.1101 0.1169 0.1079 -0.0099 -0.0027 -0.0053 319 HOH E O 18467 O O . HOH DA . ? 0.2242 0.2258 0.2379 -0.0003 -0.0026 0.0072 325 HOH E O 18468 O O . HOH DA . ? 0.2259 0.2506 0.2265 -0.0089 -0.0054 0.0040 330 HOH E O 18469 O O . HOH DA . ? 0.2249 0.2426 0.2376 -0.0034 -0.0055 0.0145 335 HOH E O 18470 O O . HOH DA . ? 0.1820 0.2014 0.1929 -0.0153 -0.0037 -0.0007 337 HOH E O 18471 O O . HOH DA . ? 0.2016 0.2214 0.2251 0.0008 -0.0001 0.0076 343 HOH E O 18472 O O . HOH DA . ? 0.1537 0.1505 0.1570 -0.0042 -0.0007 -0.0012 348 HOH E O 18473 O O . HOH DA . ? 0.5016 0.4952 0.4954 -0.0082 -0.0004 -0.0102 355 HOH E O 18474 O O . HOH DA . ? 0.1762 0.1975 0.1933 -0.0020 -0.0068 0.0195 357 HOH E O 18475 O O . HOH DA . ? 0.1845 0.2010 0.1767 -0.0086 -0.0026 -0.0051 362 HOH E O 18476 O O . HOH DA . ? 0.2210 0.2498 0.2393 -0.0134 -0.0033 0.0036 365 HOH E O 18477 O O . HOH DA . ? 0.1751 0.1736 0.1691 -0.0147 -0.0026 -0.0126 368 HOH E O 18478 O O . HOH DA . ? 0.2132 0.2275 0.2250 -0.0160 -0.0016 -0.0009 370 HOH E O 18479 O O . HOH DA . ? 0.2006 0.2085 0.2148 -0.0015 -0.0040 0.0107 371 HOH E O 18480 O O . HOH DA . ? 0.2486 0.2527 0.2566 -0.0036 -0.0028 0.0079 403 HOH E O 18481 O O . HOH DA . ? 0.2767 0.2744 0.2827 -0.0026 -0.0019 0.0033 405 HOH E O 18482 O O . HOH DA . ? 0.3385 0.3385 0.3456 -0.0030 -0.0023 0.0053 406 HOH E O 18483 O O . HOH DA . ? 0.2805 0.2765 0.2935 0.0051 0.0035 -0.0005 565 HOH E O 18484 O O . HOH DA . ? 0.2224 0.2470 0.2406 -0.0019 -0.0068 0.0173 568 HOH E O 18485 O O . HOH DA . ? 0.1849 0.2006 0.2044 -0.0002 -0.0060 0.0181 569 HOH E O 18486 O O . HOH DA . ? 0.2079 0.2153 0.2179 -0.0031 -0.0034 0.0073 570 HOH E O 18487 O O . HOH DA . ? 0.2241 0.2259 0.2364 -0.0014 -0.0031 0.0081 571 HOH E O 18488 O O . HOH DA . ? 0.1888 0.1966 0.1827 -0.0135 -0.0036 -0.0101 572 HOH E O 18489 O O . HOH DA . ? 0.2609 0.2777 0.2568 -0.0130 -0.0048 -0.0059 573 HOH E O 18490 O O . HOH DA . ? 0.2489 0.2461 0.2569 -0.0019 -0.0017 0.0031 574 HOH E O 18491 O O . HOH DA . ? 0.2828 0.2708 0.2812 -0.0038 0.0008 -0.0049 575 HOH E O 18492 O O . HOH DA . ? 0.2334 0.2220 0.2314 -0.0083 0.0006 -0.0069 576 HOH E O 18493 O O . HOH DA . ? 0.2077 0.1955 0.2062 -0.0063 0.0010 -0.0057 577 HOH E O 18494 O O . HOH DA . ? 0.2173 0.2098 0.2178 -0.0099 0.0003 -0.0056 578 HOH E O 18495 O O . HOH DA . ? 0.2403 0.2627 0.2517 -0.0177 -0.0046 -0.0011 579 HOH E O 18496 O O . HOH DA . ? 0.2104 0.2339 0.2201 -0.0188 -0.0056 -0.0022 580 HOH E O 18497 O O . HOH DA . ? 0.2289 0.2453 0.2428 -0.0142 -0.0009 0.0007 581 HOH E O 18498 O O . HOH DA . ? 0.2905 0.2841 0.2930 -0.0093 0.0010 -0.0039 582 HOH E O 18499 O O . HOH DA . ? 0.4373 0.4225 0.4362 -0.0035 0.0017 -0.0043 583 HOH E O 18500 O O . HOH DA . ? 0.2328 0.2337 0.2410 -0.0094 0.0028 -0.0006 584 HOH E O 18501 O O . HOH DA . ? 0.2401 0.2300 0.2437 -0.0014 -0.0003 -0.0012 585 HOH E O 18502 O O . HOH DA . ? 0.2900 0.2826 0.2954 -0.0016 -0.0010 0.0006 586 HOH E O 18503 O O . HOH DA . ? 0.3604 0.3489 0.3645 -0.0007 -0.0002 -0.0014 587 HOH E O 18504 O O . HOH DA . ? 0.3040 0.2913 0.3040 -0.0013 0.0003 -0.0033 588 HOH E O 18505 O O . HOH DA . ? 0.3573 0.3682 0.3772 0.0049 0.0054 0.0025 589 HOH E O 18506 O O . HOH DA . ? 0.3326 0.3207 0.3430 0.0032 0.0004 -0.0003 590 HOH E O 18507 O O . HOH DA . ? 0.2533 0.2691 0.2709 -0.0059 0.0042 0.0032 591 HOH E O 18508 O O . HOH DA . ? 0.2547 0.2807 0.2799 -0.0014 0.0039 0.0060 592 HOH E O 18509 O O . HOH DA . ? 0.2189 0.2442 0.2389 -0.0105 -0.0005 0.0042 593 HOH E O 18510 O O . HOH DA . ? 0.3859 0.4030 0.3876 -0.0178 -0.0057 -0.0063 594 HOH E O 18511 O O . HOH DA . ? 0.1980 0.2023 0.2128 -0.0005 -0.0033 0.0092 595 HOH E O 18512 O O . HOH DA . ? 0.2251 0.2196 0.2454 0.0058 -0.0013 0.0066 596 HOH E O 18513 O O . HOH DA . ? 0.2450 0.2382 0.2645 0.0041 -0.0024 0.0080 597 HOH E O 18514 O O . HOH DA . ? 0.2742 0.2729 0.2959 0.0048 -0.0026 0.0100 598 HOH E O 18515 O O . HOH DA . ? 0.2665 0.2567 0.2841 0.0049 -0.0012 0.0045 599 HOH E O 18516 O O . HOH DA . ? 0.3307 0.3193 0.3456 0.0054 0.0002 0.0012 600 HOH E O 18517 O O . HOH DA . ? 0.2561 0.2696 0.2799 0.0036 -0.0027 0.0114 601 HOH E O 18518 O O . HOH DA . ? 0.3000 0.3169 0.3225 0.0016 -0.0045 0.0141 602 HOH E O 18519 O O . HOH DA . ? 0.3405 0.3669 0.3606 -0.0018 -0.0062 0.0146 603 HOH E O 18520 O O . HOH DA . ? 0.2019 0.2320 0.2068 -0.0097 -0.0070 0.0064 604 HOH E O 18521 O O . HOH DA . ? 0.3554 0.3500 0.3571 -0.0114 0.0001 -0.0053 611 HOH E O 18522 O O . HOH DA . ? 0.2420 0.2455 0.2581 0.0000 -0.0037 0.0108 616 HOH E O 18523 O O . HOH DA . ? 0.3059 0.3128 0.3178 -0.0023 -0.0037 0.0093 622 HOH E O 18524 O O . HOH DA . ? 0.2332 0.2462 0.2567 0.0037 -0.0012 0.0091 623 HOH E O 18525 O O . HOH DA . ? 0.2692 0.2986 0.2808 -0.0065 -0.0070 0.0113 626 HOH E O 18526 O O . HOH DA . ? 0.2849 0.3128 0.2907 -0.0077 -0.0065 0.0091 627 HOH E O 18527 O O . HOH DA . ? 0.2515 0.2775 0.2697 -0.0160 -0.0020 0.0024 632 HOH E O 18528 O O . HOH DA . ? 0.2740 0.3014 0.2960 -0.0083 -0.0005 0.0055 633 HOH E O 18529 O O . HOH DA . ? 0.2412 0.2389 0.2559 0.0006 -0.0027 0.0074 634 HOH E O 18530 O O . HOH DA . ? 0.2943 0.2900 0.2956 -0.0131 -0.0005 -0.0063 649 HOH E O 18531 O O . HOH DA . ? 0.3038 0.3247 0.3258 -0.0008 0.0058 0.0044 651 HOH E O 18532 O O . HOH DA . ? 0.3752 0.3613 0.3794 0.0015 0.0015 -0.0028 652 HOH E O 18533 O O . HOH DA . ? 0.3508 0.3484 0.3659 0.0041 0.0017 0.0017 653 HOH E O 18534 O O . HOH DA . ? 0.2645 0.2732 0.2890 0.0052 -0.0025 0.0116 655 HOH E O 18535 O O . HOH DA . ? 0.3005 0.3270 0.2986 -0.0114 -0.0061 0.0003 659 HOH E O 18536 O O . HOH DA . ? 0.2782 0.2776 0.2711 -0.0081 -0.0009 -0.0098 661 HOH E O 18537 O O . HOH DA . ? 0.2657 0.2889 0.2730 -0.0127 -0.0056 0.0008 664 HOH E O 18538 O O . HOH DA . ? 0.3075 0.2938 0.3082 -0.0020 0.0018 -0.0032 666 HOH E O 18539 O O . HOH DA . ? 0.3206 0.3066 0.3171 -0.0074 0.0009 -0.0078 672 HOH E O 18540 O O . HOH DA . ? 0.2673 0.2942 0.2846 -0.0024 -0.0074 0.0188 673 HOH E O 18541 O O . HOH DA . ? 0.3270 0.3132 0.3250 -0.0028 0.0010 -0.0049 676 HOH E O 18542 O O . HOH DA . ? 0.3538 0.3415 0.3494 -0.0061 0.0007 -0.0082 677 HOH E O 18543 O O . HOH DA . ? 0.3037 0.3286 0.3213 -0.0020 -0.0073 0.0202 681 HOH E O 18544 O O . HOH DA . ? 0.3158 0.3187 0.3127 -0.0164 -0.0034 -0.0107 683 HOH E O 18545 O O . HOH DA . ? 0.3273 0.3235 0.3333 -0.0063 0.0034 -0.0011 686 HOH E O 18546 O O . HOH DA . ? 0.3488 0.3801 0.3769 -0.0015 0.0036 0.0073 690 HOH E O 18547 O O . HOH DA . ? 0.3260 0.3452 0.3458 -0.0003 -0.0063 0.0180 693 HOH E O 18548 O O . HOH DA . ? 0.4522 0.4404 0.4611 0.0006 -0.0012 0.0010 694 HOH E O 18549 O O . HOH DA . ? 0.3493 0.3418 0.3449 -0.0069 0.0000 -0.0081 699 HOH E O 18550 O O . HOH DA . ? 0.3339 0.3524 0.3557 0.0017 0.0059 0.0039 702 HOH E O 18551 O O . HOH DA . ? 0.3212 0.3221 0.3302 -0.0052 0.0042 0.0001 704 HOH E O 18552 O O . HOH DA . ? 0.3152 0.3071 0.3162 -0.0037 0.0001 -0.0030 707 HOH E O 18553 O O . HOH DA . ? 0.2181 0.2362 0.2365 -0.0075 0.0032 0.0035 708 HOH E O 18554 O O . HOH DA . ? 0.3297 0.3187 0.3353 -0.0001 0.0003 -0.0011 714 HOH E O 18555 O O . HOH DA . ? 0.3613 0.3818 0.3661 -0.0189 -0.0061 -0.0048 719 HOH E O 18556 O O . HOH DA . ? 0.3376 0.3508 0.3428 -0.0049 -0.0032 0.0089 720 HOH E O 18557 O O . HOH DA . ? 0.2818 0.2706 0.2803 -0.0018 0.0005 -0.0042 721 HOH E O 18558 O O . HOH DA . ? 0.3500 0.3494 0.3504 -0.0162 -0.0022 -0.0083 727 HOH E O 18559 O O . HOH DA . ? 0.3464 0.3749 0.3478 -0.0095 -0.0063 0.0051 728 HOH E O 18560 O O . HOH DA . ? 0.4238 0.4447 0.4264 -0.0158 -0.0060 -0.0037 729 HOH E O 18561 O O . HOH DA . ? 0.3179 0.3351 0.3391 0.0008 -0.0052 0.0152 730 HOH E O 18562 O O . HOH DA . ? 0.3036 0.3224 0.3173 -0.0032 -0.0059 0.0170 736 HOH E O 18563 O O . HOH DA . ? 0.3241 0.3172 0.3445 0.0035 -0.0033 0.0102 744 HOH E O 18564 O O . HOH DA . ? 0.2942 0.3043 0.3163 0.0047 0.0015 0.0056 747 HOH E O 18565 O O . HOH DA . ? 0.3216 0.3421 0.3197 -0.0138 -0.0057 -0.0042 754 HOH E O 18566 O O . HOH DA . ? 0.2844 0.2710 0.2851 -0.0017 0.0011 -0.0032 755 HOH E O 18567 O O . HOH DA . ? 0.4145 0.4508 0.4257 -0.0097 -0.0083 0.0091 767 HOH E O 18568 O O . HOH DA . ? 0.2941 0.3048 0.3044 -0.0036 -0.0042 0.0118 770 HOH E O 18569 O O . HOH DA . ? 0.3607 0.3764 0.3703 -0.0166 -0.0032 -0.0021 773 HOH E O 18570 O O . HOH DA . ? 0.3381 0.3657 0.3362 -0.0132 -0.0068 -0.0014 775 HOH E O 18571 O O . HOH DA . ? 0.3528 0.3647 0.3603 -0.0045 -0.0036 0.0107 776 HOH E O 18572 O O . HOH DA . ? 0.3965 0.4091 0.4124 -0.0034 0.0061 0.0026 778 HOH E O 18573 O O . HOH DA . ? 0.2900 0.3193 0.3110 -0.0120 -0.0017 0.0046 779 HOH E O 18574 O O . HOH DA . ? 0.2765 0.2909 0.2879 -0.0036 -0.0049 0.0136 781 HOH E O 18575 O O . HOH DA . ? 0.3423 0.3613 0.3439 -0.0059 -0.0032 0.0074 783 HOH E O 18576 O O . HOH DA . ? 0.4283 0.4144 0.4246 -0.0059 0.0010 -0.0075 785 HOH E O 18577 O O . HOH DA . ? 0.3614 0.3882 0.3654 -0.0077 -0.0060 0.0084 796 HOH E O 18578 O O . HOH DA . ? 0.4272 0.4197 0.4230 -0.0055 0.0002 -0.0074 798 HOH E O 18579 O O . HOH DA . ? 0.3955 0.4254 0.3996 -0.0090 -0.0068 0.0073 801 HOH E O 18580 O O . HOH DA . ? 0.3986 0.4112 0.4158 0.0024 0.0076 0.0019 805 HOH E O 18581 O O . HOH DA . ? 0.3291 0.3346 0.3375 -0.0144 -0.0001 -0.0022 806 HOH E O 18582 O O . HOH DA . ? 0.3120 0.3149 0.3349 0.0068 -0.0002 0.0072 808 HOH E O 18583 O O . HOH DA . ? 0.3524 0.3889 0.3706 -0.0143 -0.0063 0.0049 809 HOH E O 18584 O O . HOH DA . ? 0.3133 0.3178 0.3260 -0.0018 -0.0037 0.0098 811 HOH E O 18585 O O . HOH DA . ? 0.4150 0.4111 0.4269 -0.0007 -0.0026 0.0061 813 HOH E O 18586 O O . HOH DA . ? 0.3722 0.3695 0.3956 0.0079 -0.0008 0.0075 814 HOH E O 18587 O O . HOH DA . ? 0.3584 0.3476 0.3604 -0.0049 0.0030 -0.0026 818 HOH E O 18588 O O . HOH DA . ? 0.3838 0.3947 0.4021 0.0040 0.0063 0.0019 831 HOH E O 18589 O O . HOH DA . ? 0.3999 0.4061 0.4092 -0.0037 -0.0034 0.0100 835 HOH E O 18590 O O . HOH DA . ? 0.4626 0.4933 0.4904 -0.0010 -0.0005 0.0093 836 HOH E O 18591 O O . HOH DA . ? 0.3302 0.3532 0.3410 -0.0047 -0.0061 0.0138 888 HOH E O 18592 O O . HOH DA . ? 0.3404 0.3704 0.3586 -0.0046 -0.0064 0.0120 889 HOH E O 18593 O O . HOH DA . ? 0.4215 0.4548 0.4413 -0.0075 -0.0056 0.0088 890 HOH E O 18594 O O . HOH DA . ? 0.4841 0.5191 0.5063 -0.0105 -0.0041 0.0068 892 HOH E O 18595 O O . HOH DA . ? 0.3383 0.3714 0.3582 -0.0127 -0.0043 0.0050 893 HOH E O 18596 O O . HOH DA . ? 0.4120 0.4480 0.4277 -0.0169 -0.0070 0.0028 894 HOH E O 18597 O O . HOH DA . ? 0.3720 0.4012 0.3831 -0.0193 -0.0067 -0.0011 895 HOH E O 18598 O O . HOH DA . ? 0.4247 0.4411 0.4356 -0.0178 -0.0029 -0.0019 896 HOH E O 18599 O O . HOH DA . ? 0.3926 0.3865 0.3971 -0.0065 0.0029 -0.0018 898 HOH E O 18600 O O . HOH DA . ? 0.3263 0.3154 0.3307 -0.0008 0.0002 -0.0014 899 HOH E O 18601 O O . HOH DA . ? 0.3560 0.3487 0.3585 -0.0021 -0.0007 -0.0008 900 HOH E O 18602 O O . HOH DA . ? 0.3963 0.4034 0.3950 -0.0171 -0.0041 -0.0092 901 HOH E O 18603 O O . HOH DA . ? 0.3790 0.3731 0.3785 -0.0124 -0.0006 -0.0074 902 HOH E O 18604 O O . HOH DA . ? 0.2997 0.3019 0.3192 0.0061 0.0019 0.0035 903 HOH E O 18605 O O . HOH DA . ? 0.4553 0.4864 0.4649 -0.0121 -0.0072 0.0042 904 HOH E O 18606 O O . HOH DA . ? 0.4043 0.4136 0.4139 -0.0161 -0.0010 -0.0021 909 HOH E O 18607 O O . HOH DA . ? 0.3750 0.3959 0.3953 -0.0009 -0.0046 0.0121 926 HOH E O 18608 O O . HOH DA . ? 0.2825 0.2803 0.2806 -0.0162 -0.0023 -0.0101 929 HOH E O 18609 O O . HOH DA . ? 0.4446 0.4405 0.4670 0.0061 -0.0020 0.0089 944 HOH E O 18610 O O . HOH DA . ? 0.3705 0.3835 0.3861 -0.0072 0.0044 0.0026 950 HOH E O 18611 O O . HOH DA . ? 0.3565 0.3514 0.3673 -0.0005 -0.0020 0.0045 953 HOH E O 18612 O O . HOH DA . ? 0.5026 0.5188 0.4939 -0.0098 -0.0030 -0.0068 959 HOH E O 18613 O O . HOH DA . ? 0.3630 0.3717 0.3722 -0.0037 -0.0037 0.0104 962 HOH E O 18614 O O . HOH DA . ? 0.4148 0.4031 0.4216 0.0005 -0.0002 -0.0006 970 HOH E O 18615 O O . HOH DA . ? 0.4930 0.4989 0.4933 -0.0173 -0.0036 -0.0084 971 HOH E O 18616 O O . HOH DA . ? 0.3782 0.3842 0.4005 0.0056 0.0001 0.0068 981 HOH E O 18617 O O . HOH DA . ? 0.3225 0.3343 0.3372 -0.0091 0.0044 0.0023 983 HOH E O 18618 O O . HOH DA . ? 0.3039 0.3032 0.3150 -0.0015 -0.0028 0.0067 990 HOH E O 18619 O O . HOH DA . ? 0.4486 0.4680 0.4636 -0.0163 -0.0014 0.0007 999 HOH E O 18620 O O . HOH DA . ? 0.3967 0.3994 0.4049 -0.0035 -0.0027 0.0078 1016 HOH E O 18621 O O . HOH DA . ? 0.3825 0.3952 0.3986 -0.0001 0.0076 0.0021 1188 HOH E O 18622 O O . HOH DA . ? 0.4737 0.4823 0.4914 0.0057 0.0068 0.0010 1193 HOH E O 18623 O O . HOH DA . ? 0.5500 0.5814 0.5684 -0.0025 -0.0081 0.0201 1196 HOH E O 18624 O O . HOH DA . ? 0.5289 0.5557 0.5499 -0.0007 -0.0072 0.0189 1197 HOH E O 18625 O O . HOH DA . ? 0.4407 0.4658 0.4494 -0.0059 -0.0062 0.0118 1198 HOH E O 18626 O O . HOH DA . ? 0.3694 0.3925 0.3760 -0.0059 -0.0055 0.0115 1199 HOH E O 18627 O O . HOH DA . ? 0.5091 0.5316 0.5196 -0.0046 -0.0060 0.0163 1200 HOH E O 18628 O O . HOH DA . ? 0.3336 0.3605 0.3436 -0.0114 -0.0061 0.0035 1207 HOH E O 18629 O O . HOH DA . ? 0.4831 0.5153 0.5091 -0.0019 -0.0039 0.0116 1210 HOH E O 18630 O O . HOH DA . ? 0.4728 0.5098 0.4985 -0.0081 -0.0030 0.0083 1211 HOH E O 18631 O O . HOH DA . ? 0.5321 0.5557 0.5575 0.0009 -0.0010 0.0092 1212 HOH E O 18632 O O . HOH DA . ? 0.4858 0.4734 0.4843 -0.0089 0.0009 -0.0066 1213 HOH E O 18633 O O . HOH DA . ? 0.6017 0.5931 0.6030 -0.0117 0.0008 -0.0054 1214 HOH E O 18634 O O . HOH DA . ? 0.4561 0.4754 0.4670 -0.0190 -0.0040 -0.0022 1215 HOH E O 18635 O O . HOH DA . ? 0.4140 0.4429 0.4324 -0.0165 -0.0032 0.0025 1216 HOH E O 18636 O O . HOH DA . ? 0.5366 0.5246 0.5373 -0.0077 0.0021 -0.0040 1218 HOH E O 18637 O O . HOH DA . ? 0.5371 0.5219 0.5365 -0.0048 0.0026 -0.0037 1220 HOH E O 18638 O O . HOH DA . ? 0.4230 0.4144 0.4263 -0.0053 0.0034 -0.0020 1221 HOH E O 18639 O O . HOH DA . ? 0.5036 0.5063 0.5131 -0.0090 0.0036 0.0002 1222 HOH E O 18640 O O . HOH DA . ? 0.4741 0.4579 0.4729 -0.0025 0.0026 -0.0035 1223 HOH E O 18641 O O . HOH DA . ? 0.5370 0.5233 0.5367 -0.0017 0.0007 -0.0036 1224 HOH E O 18642 O O . HOH DA . ? 0.4732 0.4591 0.4718 -0.0021 0.0009 -0.0043 1225 HOH E O 18643 O O . HOH DA . ? 0.5728 0.5586 0.5714 -0.0015 0.0008 -0.0042 1226 HOH E O 18644 O O . HOH DA . ? 0.4712 0.4572 0.4683 -0.0025 0.0010 -0.0056 1227 HOH E O 18645 O O . HOH DA . ? 0.4578 0.4448 0.4554 -0.0019 0.0009 -0.0051 1228 HOH E O 18646 O O . HOH DA . ? 0.4756 0.4971 0.4998 0.0019 0.0049 0.0051 1229 HOH E O 18647 O O . HOH DA . ? 0.5198 0.5327 0.5423 0.0051 0.0039 0.0042 1230 HOH E O 18648 O O . HOH DA . ? 0.4083 0.3971 0.4137 -0.0003 -0.0002 -0.0008 1232 HOH E O 18649 O O . HOH DA . ? 0.4721 0.4582 0.4792 0.0021 0.0004 -0.0018 1233 HOH E O 18650 O O . HOH DA . ? 0.3219 0.3275 0.3141 -0.0146 -0.0036 -0.0126 1234 HOH E O 18651 O O . HOH DA . ? 0.6408 0.6875 0.6698 -0.0038 -0.0074 0.0159 1235 HOH E O 18652 O O . HOH DA . ? 0.4412 0.4713 0.4572 -0.0202 -0.0052 0.0004 1236 HOH E O 18653 O O . HOH DA . ? 0.5067 0.5278 0.5149 -0.0208 -0.0057 -0.0041 1237 HOH E O 18654 O O . HOH DA . ? 0.4828 0.5018 0.4882 -0.0211 -0.0060 -0.0060 1238 HOH E O 18655 O O . HOH DA . ? 0.4766 0.4602 0.4743 -0.0054 0.0018 -0.0056 1239 HOH E O 18656 O O . HOH DA . ? 0.4664 0.4518 0.4661 -0.0030 0.0022 -0.0036 1240 HOH E O 18657 O O . HOH DA . ? 0.5070 0.5100 0.5164 -0.0114 0.0027 -0.0003 1241 HOH E O 18658 O O . HOH DA . ? 0.4704 0.4640 0.4772 -0.0015 -0.0014 0.0018 1242 HOH E O 18659 O O . HOH DA . ? 0.4277 0.4279 0.4306 -0.0158 -0.0015 -0.0062 1243 HOH E O 18660 O O . HOH DA . ? 0.3922 0.4172 0.3985 -0.0143 -0.0063 -0.0003 1244 HOH E O 18661 O O . HOH DA . ? 0.4492 0.4423 0.4475 -0.0139 -0.0010 -0.0091 1245 HOH E O 18662 O O . HOH DA . ? 0.4740 0.4753 0.4956 0.0079 0.0018 0.0042 1246 HOH E O 18663 O O . HOH DA . ? 0.4190 0.4241 0.4411 0.0064 0.0010 0.0057 1247 HOH E O 18664 O O . HOH DA . ? 0.4918 0.4916 0.5089 0.0054 0.0024 0.0020 1248 HOH E O 18665 O O . HOH DA . ? 0.5347 0.5234 0.5505 0.0069 0.0010 0.0005 1249 HOH E O 18666 O O . HOH DA . ? 0.4994 0.4919 0.5170 0.0081 0.0019 0.0010 1250 HOH E O 18667 O O . HOH DA . ? 0.4617 0.4531 0.4829 0.0072 -0.0011 0.0059 1251 HOH E O 18668 O O . HOH DA . ? 0.4874 0.4763 0.5002 0.0021 -0.0014 0.0028 1252 HOH E O 18669 O O . HOH DA . ? 0.5631 0.5523 0.5781 0.0028 -0.0018 0.0042 1253 HOH E O 18670 O O . HOH DA . ? 0.4770 0.4704 0.4953 0.0018 -0.0035 0.0098 1254 HOH E O 18671 O O . HOH DA . ? 0.3541 0.3508 0.3710 0.0010 -0.0035 0.0100 1255 HOH E O 18672 O O . HOH DA . ? 0.3493 0.3515 0.3673 0.0010 -0.0038 0.0117 1256 HOH E O 18673 O O . HOH DA . ? 0.4438 0.4368 0.4580 0.0004 -0.0029 0.0069 1257 HOH E O 18674 O O . HOH DA . ? 0.4780 0.4989 0.5001 0.0006 -0.0054 0.0152 1258 HOH E O 18675 O O . HOH DA . ? 0.5419 0.5748 0.5496 -0.0091 -0.0077 0.0087 1259 HOH E O 18676 O O . HOH DA . ? 0.4048 0.4282 0.4023 -0.0101 -0.0051 0.0003 1260 HOH E O 18677 O O . HOH DA . ? 0.4385 0.4641 0.4391 -0.0079 -0.0050 0.0064 1261 HOH E O 18678 O O . HOH DA . ? 0.4511 0.4735 0.4531 -0.0068 -0.0045 0.0076 1262 HOH E O 18679 O O . HOH DA . ? 0.3717 0.3770 0.3839 -0.0023 -0.0039 0.0107 1263 HOH E O 18680 O O . HOH DA . ? 0.4910 0.4957 0.5015 -0.0028 -0.0035 0.0095 1264 HOH E O 18681 O O . HOH DA . ? 0.5888 0.5878 0.5980 -0.0027 -0.0028 0.0069 1265 HOH E O 18682 O O . HOH DA . ? 0.3378 0.3438 0.3296 -0.0090 -0.0017 -0.0094 1351 HOH E O 18683 O O . HOH DA . ? 0.6400 0.6803 0.6647 -0.0072 -0.0058 0.0107 1352 HOH E O 18684 O O . HOH DA . ? 0.5421 0.5788 0.5597 -0.0113 -0.0068 0.0070 1353 HOH E O 18685 O O . HOH DA . ? 0.4696 0.4927 0.4849 -0.0192 -0.0030 0.0000 1355 HOH E O 18686 O O . HOH DA . ? 0.4596 0.4475 0.4689 0.0014 -0.0006 0.0004 1356 HOH E O 18687 O O . HOH DA . ? 0.5406 0.5453 0.5514 -0.0076 0.0039 0.0008 1357 HOH E O 18688 O O . HOH DA . ? 0.5502 0.5455 0.5729 0.0088 0.0002 0.0054 1359 HOH E O 18689 O O . HOH DA . ? 0.4152 0.4402 0.4398 0.0009 -0.0046 0.0140 1361 HOH E O 18690 O O . HOH DA . ? 0.5001 0.5341 0.5115 -0.0083 -0.0078 0.0102 1362 HOH E O 18691 O O . HOH DA . ? 0.3912 0.3791 0.4075 0.0055 -0.0006 0.0025 1375 HOH E O 18692 O O . HOH DA . ? 0.4311 0.4608 0.4307 -0.0109 -0.0066 0.0029 1381 HOH E O 18693 O O . HOH DA . ? 0.4679 0.4903 0.4676 -0.0149 -0.0063 -0.0039 1384 HOH E O 18694 O O . HOH DA . ? 0.3546 0.3738 0.3608 -0.0055 -0.0047 0.0105 1389 HOH E O 18695 O O . HOH DA . ? 0.3693 0.3598 0.3735 -0.0014 -0.0007 -0.0005 1392 HOH E O 18696 O O . HOH DA . ? 0.2928 0.3233 0.3130 -0.0142 -0.0027 0.0040 1409 HOH E O 18697 O O . HOH DA . ? 0.4394 0.4715 0.4566 -0.0095 -0.0058 0.0069 1413 HOH E O 18698 O O . HOH DA . ? 0.3980 0.4225 0.4226 -0.0003 0.0052 0.0054 1417 HOH E O 18699 O O . HOH DA . ? 0.5149 0.5101 0.5357 0.0092 0.0016 0.0029 1419 HOH E O 18700 O O . HOH DA . ? 0.4365 0.4233 0.4395 -0.0005 0.0000 -0.0021 1421 HOH E O 18701 O O . HOH DA . ? 0.4527 0.4822 0.4684 -0.0082 -0.0058 0.0075 1423 HOH E O 18702 O O . HOH DA . ? 0.5173 0.5103 0.5271 -0.0006 -0.0019 0.0036 1424 HOH E O 18703 O O . HOH DA . ? 0.3876 0.4066 0.4076 -0.0029 0.0059 0.0039 1426 HOH E O 18704 O O . HOH DA . ? 0.5333 0.5240 0.5263 -0.0074 0.0002 -0.0111 1430 HOH E O 18705 O O . HOH DA . ? 0.3571 0.3503 0.3726 0.0073 0.0027 -0.0001 1431 HOH E O 18706 O O . HOH DA . ? 0.3486 0.3424 0.3705 0.0054 -0.0026 0.0093 1433 HOH E O 18707 O O . HOH DA . ? 0.4046 0.4169 0.4295 0.0050 -0.0018 0.0106 1436 HOH E O 18708 O O . HOH DA . ? 0.4122 0.4144 0.4215 -0.0028 -0.0030 0.0076 1439 HOH E O 18709 O O . HOH DA . ? 0.4919 0.5255 0.4970 -0.0109 -0.0079 0.0060 1449 HOH E O 18710 O O . HOH DA . ? 0.5079 0.5394 0.5169 -0.0077 -0.0074 0.0106 1455 HOH E O 18711 O O . HOH DA . ? 0.4440 0.4289 0.4417 -0.0043 0.0014 -0.0056 1461 HOH E O 18712 O O . HOH DA . ? 0.5493 0.5732 0.5491 -0.0073 -0.0042 0.0062 1466 HOH E O 18713 O O . HOH DA . ? 0.4724 0.4884 0.4757 -0.0054 -0.0032 0.0079 1472 HOH E O 18714 O O . HOH DA . ? 0.4757 0.5052 0.4896 -0.0099 -0.0060 0.0059 1531 HOH E O 18715 O O . HOH DA . ? 0.6028 0.6410 0.6247 -0.0075 -0.0064 0.0104 1532 HOH E O 18716 O O . HOH DA . ? 0.5465 0.5843 0.5608 -0.0169 -0.0080 0.0030 1534 HOH E O 18717 O O . HOH DA . ? 0.5277 0.5115 0.5256 -0.0039 0.0017 -0.0050 1536 HOH E O 18718 O O . HOH DA . ? 0.6214 0.6601 0.6469 -0.0079 -0.0041 0.0092 1537 HOH E O # 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 HIS 1 1 1 HIS HIS A . n A 1 2 THR 2 2 2 THR THR A . n A 1 3 ASP 3 3 3 ASP ASP A . n A 1 4 LEU 4 4 4 LEU LEU A . n A 1 5 SER 5 5 5 SER SER A . n A 1 6 GLY 6 6 6 GLY GLY A . n A 1 7 LYS 7 7 7 LYS LYS A . n A 1 8 VAL 8 8 8 VAL VAL A . n A 1 9 PHE 9 9 9 PHE PHE A . n A 1 10 VAL 10 10 10 VAL VAL A . n A 1 11 PHE 11 11 11 PHE PHE A . n A 1 12 PRO 12 12 12 PRO PRO A . n A 1 13 ARG 13 13 13 ARG ARG A . n A 1 14 GLU 14 14 14 GLU GLU A . n A 1 15 SER 15 15 15 SER SER A . n A 1 16 VAL 16 16 16 VAL VAL A . n A 1 17 THR 17 17 17 THR THR A . n A 1 18 ASP 18 18 18 ASP ASP A . n A 1 19 HIS 19 19 19 HIS HIS A . n A 1 20 VAL 20 20 20 VAL VAL A . n A 1 21 ASN 21 21 21 ASN ASN A . n A 1 22 LEU 22 22 22 LEU LEU A . n A 1 23 ILE 23 23 23 ILE ILE A . n A 1 24 THR 24 24 24 THR THR A . n A 1 25 PRO 25 25 25 PRO PRO A . n A 1 26 LEU 26 26 26 LEU LEU A . n A 1 27 GLU 27 27 27 GLU GLU A . n A 1 28 LYS 28 28 28 LYS LYS A . n A 1 29 PRO 29 29 29 PRO PRO A . n A 1 30 LEU 30 30 30 LEU LEU A . n A 1 31 GLN 31 31 31 GLN GLN A . n A 1 32 ASN 32 32 32 ASN ASN A . n A 1 33 PHE 33 33 33 PHE PHE A . n A 1 34 THR 34 34 34 THR THR A . n A 1 35 LEU 35 35 35 LEU LEU A . n A 1 36 CYS 36 36 36 CYS CYS A . n A 1 37 PHE 37 37 37 PHE PHE A . n A 1 38 ARG 38 38 38 ARG ARG A . n A 1 39 ALA 39 39 39 ALA ALA A . n A 1 40 TYR 40 40 40 TYR TYR A . n A 1 41 SER 41 41 41 SER SER A . n A 1 42 ASP 42 42 42 ASP ASP A . n A 1 43 LEU 43 43 43 LEU LEU A . n A 1 44 SER 44 44 44 SER SER A . n A 1 45 ARG 45 45 45 ARG ARG A . n A 1 46 ALA 46 46 46 ALA ALA A . n A 1 47 TYR 47 47 47 TYR TYR A . n A 1 48 SER 48 48 48 SER SER A . n A 1 49 LEU 49 49 49 LEU LEU A . n A 1 50 PHE 50 50 50 PHE PHE A . n A 1 51 SER 51 51 51 SER SER A . n A 1 52 TYR 52 52 52 TYR TYR A . n A 1 53 ASN 53 53 53 ASN ASN A . n A 1 54 THR 54 54 54 THR THR A . n A 1 55 GLN 55 55 55 GLN GLN A . n A 1 56 GLY 56 56 56 GLY GLY A . n A 1 57 ARG 57 57 57 ARG ARG A . n A 1 58 ASP 58 58 58 ASP ASP A . n A 1 59 ASN 59 59 59 ASN ASN A . n A 1 60 GLU 60 60 60 GLU GLU A . n A 1 61 LEU 61 61 61 LEU LEU A . n A 1 62 LEU 62 62 62 LEU LEU A . n A 1 63 VAL 63 63 63 VAL VAL A . n A 1 64 TYR 64 64 64 TYR TYR A . n A 1 65 LYS 65 65 65 LYS LYS A . n A 1 66 GLU 66 66 66 GLU GLU A . n A 1 67 ARG 67 67 67 ARG ARG A . n A 1 68 VAL 68 68 68 VAL VAL A . n A 1 69 GLY 69 69 69 GLY GLY A . n A 1 70 GLU 70 70 70 GLU GLU A . n A 1 71 TYR 71 71 71 TYR TYR A . n A 1 72 SER 72 72 72 SER SER A . n A 1 73 LEU 73 73 73 LEU LEU A . n A 1 74 TYR 74 74 74 TYR TYR A . n A 1 75 ILE 75 75 75 ILE ILE A . n A 1 76 GLY 76 76 76 GLY GLY A . n A 1 77 ARG 77 77 77 ARG ARG A . n A 1 78 HIS 78 78 78 HIS HIS A . n A 1 79 LYS 79 79 79 LYS LYS A . n A 1 80 VAL 80 80 80 VAL VAL A . n A 1 81 THR 81 81 81 THR THR A . n A 1 82 SER 82 82 82 SER SER A . n A 1 83 LYS 83 83 83 LYS LYS A . n A 1 84 VAL 84 84 84 VAL VAL A . n A 1 85 ILE 85 85 85 ILE ILE A . n A 1 86 GLU 86 86 86 GLU GLU A . n A 1 87 LYS 87 87 87 LYS LYS A . n A 1 88 PHE 88 88 88 PHE PHE A . n A 1 89 PRO 89 89 89 PRO PRO A . n A 1 90 ALA 90 90 90 ALA ALA A . n A 1 91 PRO 91 91 91 PRO PRO A . n A 1 92 VAL 92 92 92 VAL VAL A . n A 1 93 HIS 93 93 93 HIS HIS A . n A 1 94 ILE 94 94 94 ILE ILE A . n A 1 95 CYS 95 95 95 CYS CYS A . n A 1 96 VAL 96 96 96 VAL VAL A . n A 1 97 SER 97 97 97 SER SER A . n A 1 98 TRP 98 98 98 TRP TRP A . n A 1 99 GLU 99 99 99 GLU GLU A . n A 1 100 SER 100 100 100 SER SER A . n A 1 101 SER 101 101 101 SER SER A . n A 1 102 SER 102 102 102 SER SER A . n A 1 103 GLY 103 103 103 GLY GLY A . n A 1 104 ILE 104 104 104 ILE ILE A . n A 1 105 ALA 105 105 105 ALA ALA A . n A 1 106 GLU 106 106 106 GLU GLU A . n A 1 107 PHE 107 107 107 PHE PHE A . n A 1 108 TRP 108 108 108 TRP TRP A . n A 1 109 ILE 109 109 109 ILE ILE A . n A 1 110 ASN 110 110 110 ASN ASN A . n A 1 111 GLY 111 111 111 GLY GLY A . n A 1 112 THR 112 112 112 THR THR A . n A 1 113 PRO 113 113 113 PRO PRO A . n A 1 114 LEU 114 114 114 LEU LEU A . n A 1 115 VAL 115 115 115 VAL VAL A . n A 1 116 LYS 116 116 116 LYS LYS A . n A 1 117 LYS 117 117 117 LYS LYS A . n A 1 118 GLY 118 118 118 GLY GLY A . n A 1 119 LEU 119 119 119 LEU LEU A . n A 1 120 ARG 120 120 120 ARG ARG A . n A 1 121 GLN 121 121 121 GLN GLN A . n A 1 122 GLY 122 122 122 GLY GLY A . n A 1 123 TYR 123 123 123 TYR TYR A . n A 1 124 PHE 124 124 124 PHE PHE A . n A 1 125 VAL 125 125 125 VAL VAL A . n A 1 126 GLU 126 126 126 GLU GLU A . n A 1 127 ALA 127 127 127 ALA ALA A . n A 1 128 GLN 128 128 128 GLN GLN A . n A 1 129 PRO 129 129 129 PRO PRO A . n A 1 130 LYS 130 130 130 LYS LYS A . n A 1 131 ILE 131 131 131 ILE ILE A . n A 1 132 VAL 132 132 132 VAL VAL A . n A 1 133 LEU 133 133 133 LEU LEU A . n A 1 134 GLY 134 134 134 GLY GLY A . n A 1 135 GLN 135 135 135 GLN GLN A . n A 1 136 GLU 136 136 136 GLU GLU A . n A 1 137 GLN 137 137 137 GLN GLN A . n A 1 138 ASP 138 138 138 ASP ASP A . n A 1 139 SER 139 139 139 SER SER A . n A 1 140 TYR 140 140 140 TYR TYR A . n A 1 141 GLY 141 141 141 GLY GLY A . n A 1 142 GLY 142 142 142 GLY GLY A . n A 1 143 LYS 143 143 143 LYS LYS A . n A 1 144 PHE 144 144 144 PHE PHE A . n A 1 145 ASP 145 145 145 ASP ASP A . n A 1 146 ARG 146 146 146 ARG ARG A . n A 1 147 SER 147 147 147 SER SER A . n A 1 148 GLN 148 148 148 GLN GLN A . n A 1 149 SER 149 149 149 SER SER A . n A 1 150 PHE 150 150 150 PHE PHE A . n A 1 151 VAL 151 151 151 VAL VAL A . n A 1 152 GLY 152 152 152 GLY GLY A . n A 1 153 GLU 153 153 153 GLU GLU A . n A 1 154 ILE 154 154 154 ILE ILE A . n A 1 155 GLY 155 155 155 GLY GLY A . n A 1 156 ASP 156 156 156 ASP ASP A . n A 1 157 LEU 157 157 157 LEU LEU A . n A 1 158 TYR 158 158 158 TYR TYR A . n A 1 159 MET 159 159 159 MET MET A . n A 1 160 TRP 160 160 160 TRP TRP A . n A 1 161 ASP 161 161 161 ASP ASP A . n A 1 162 SER 162 162 162 SER SER A . n A 1 163 VAL 163 163 163 VAL VAL A . n A 1 164 LEU 164 164 164 LEU LEU A . n A 1 165 PRO 165 165 165 PRO PRO A . n A 1 166 PRO 166 166 166 PRO PRO A . n A 1 167 GLU 167 167 167 GLU GLU A . n A 1 168 ASN 168 168 168 ASN ASN A . n A 1 169 ILE 169 169 169 ILE ILE A . n A 1 170 LEU 170 170 170 LEU LEU A . n A 1 171 SER 171 171 171 SER SER A . n A 1 172 ALA 172 172 172 ALA ALA A . n A 1 173 TYR 173 173 173 TYR TYR A . n A 1 174 GLN 174 174 174 GLN GLN A . n A 1 175 GLY 175 175 175 GLY GLY A . n A 1 176 THR 176 176 176 THR THR A . n A 1 177 PRO 177 177 177 PRO PRO A . n A 1 178 LEU 178 178 178 LEU LEU A . n A 1 179 PRO 179 179 179 PRO PRO A . n A 1 180 ALA 180 180 180 ALA ALA A . n A 1 181 ASN 181 181 181 ASN ASN A . n A 1 182 ILE 182 182 182 ILE ILE A . n A 1 183 LEU 183 183 183 LEU LEU A . n A 1 184 ASP 184 184 184 ASP ASP A . n A 1 185 TRP 185 185 185 TRP TRP A . n A 1 186 GLN 186 186 186 GLN GLN A . n A 1 187 ALA 187 187 187 ALA ALA A . n A 1 188 LEU 188 188 188 LEU LEU A . n A 1 189 ASN 189 189 189 ASN ASN A . n A 1 190 TYR 190 190 190 TYR TYR A . n A 1 191 GLU 191 191 191 GLU GLU A . n A 1 192 ILE 192 192 192 ILE ILE A . n A 1 193 ARG 193 193 193 ARG ARG A . n A 1 194 GLY 194 194 194 GLY GLY A . n A 1 195 TYR 195 195 195 TYR TYR A . n A 1 196 VAL 196 196 196 VAL VAL A . n A 1 197 ILE 197 197 197 ILE ILE A . n A 1 198 ILE 198 198 198 ILE ILE A . n A 1 199 LYS 199 199 199 LYS LYS A . n A 1 200 PRO 200 200 200 PRO PRO A . n A 1 201 LEU 201 201 201 LEU LEU A . n A 1 202 VAL 202 202 202 VAL VAL A . n A 1 203 TRP 203 203 203 TRP TRP A . n A 1 204 VAL 204 204 204 VAL VAL A . n B 1 1 HIS 1 1 1 HIS HIS B . n B 1 2 THR 2 2 2 THR THR B . n B 1 3 ASP 3 3 3 ASP ASP B . n B 1 4 LEU 4 4 4 LEU LEU B . n B 1 5 SER 5 5 5 SER SER B . n B 1 6 GLY 6 6 6 GLY GLY B . n B 1 7 LYS 7 7 7 LYS LYS B . n B 1 8 VAL 8 8 8 VAL VAL B . n B 1 9 PHE 9 9 9 PHE PHE B . n B 1 10 VAL 10 10 10 VAL VAL B . n B 1 11 PHE 11 11 11 PHE PHE B . n B 1 12 PRO 12 12 12 PRO PRO B . n B 1 13 ARG 13 13 13 ARG ARG B . n B 1 14 GLU 14 14 14 GLU GLU B . n B 1 15 SER 15 15 15 SER SER B . n B 1 16 VAL 16 16 16 VAL VAL B . n B 1 17 THR 17 17 17 THR THR B . n B 1 18 ASP 18 18 18 ASP ASP B . n B 1 19 HIS 19 19 19 HIS HIS B . n B 1 20 VAL 20 20 20 VAL VAL B . n B 1 21 ASN 21 21 21 ASN ASN B . n B 1 22 LEU 22 22 22 LEU LEU B . n B 1 23 ILE 23 23 23 ILE ILE B . n B 1 24 THR 24 24 24 THR THR B . n B 1 25 PRO 25 25 25 PRO PRO B . n B 1 26 LEU 26 26 26 LEU LEU B . n B 1 27 GLU 27 27 27 GLU GLU B . n B 1 28 LYS 28 28 28 LYS LYS B . n B 1 29 PRO 29 29 29 PRO PRO B . n B 1 30 LEU 30 30 30 LEU LEU B . n B 1 31 GLN 31 31 31 GLN GLN B . n B 1 32 ASN 32 32 32 ASN ASN B . n B 1 33 PHE 33 33 33 PHE PHE B . n B 1 34 THR 34 34 34 THR THR B . n B 1 35 LEU 35 35 35 LEU LEU B . n B 1 36 CYS 36 36 36 CYS CYS B . n B 1 37 PHE 37 37 37 PHE PHE B . n B 1 38 ARG 38 38 38 ARG ARG B . n B 1 39 ALA 39 39 39 ALA ALA B . n B 1 40 TYR 40 40 40 TYR TYR B . n B 1 41 SER 41 41 41 SER SER B . n B 1 42 ASP 42 42 42 ASP ASP B . n B 1 43 LEU 43 43 43 LEU LEU B . n B 1 44 SER 44 44 44 SER SER B . n B 1 45 ARG 45 45 45 ARG ARG B . n B 1 46 ALA 46 46 46 ALA ALA B . n B 1 47 TYR 47 47 47 TYR TYR B . n B 1 48 SER 48 48 48 SER SER B . n B 1 49 LEU 49 49 49 LEU LEU B . n B 1 50 PHE 50 50 50 PHE PHE B . n B 1 51 SER 51 51 51 SER SER B . n B 1 52 TYR 52 52 52 TYR TYR B . n B 1 53 ASN 53 53 53 ASN ASN B . n B 1 54 THR 54 54 54 THR THR B . n B 1 55 GLN 55 55 55 GLN GLN B . n B 1 56 GLY 56 56 56 GLY GLY B . n B 1 57 ARG 57 57 57 ARG ARG B . n B 1 58 ASP 58 58 58 ASP ASP B . n B 1 59 ASN 59 59 59 ASN ASN B . n B 1 60 GLU 60 60 60 GLU GLU B . n B 1 61 LEU 61 61 61 LEU LEU B . n B 1 62 LEU 62 62 62 LEU LEU B . n B 1 63 VAL 63 63 63 VAL VAL B . n B 1 64 TYR 64 64 64 TYR TYR B . n B 1 65 LYS 65 65 65 LYS LYS B . n B 1 66 GLU 66 66 66 GLU GLU B . n B 1 67 ARG 67 67 67 ARG ARG B . n B 1 68 VAL 68 68 68 VAL VAL B . n B 1 69 GLY 69 69 69 GLY GLY B . n B 1 70 GLU 70 70 70 GLU GLU B . n B 1 71 TYR 71 71 71 TYR TYR B . n B 1 72 SER 72 72 72 SER SER B . n B 1 73 LEU 73 73 73 LEU LEU B . n B 1 74 TYR 74 74 74 TYR TYR B . n B 1 75 ILE 75 75 75 ILE ILE B . n B 1 76 GLY 76 76 76 GLY GLY B . n B 1 77 ARG 77 77 77 ARG ARG B . n B 1 78 HIS 78 78 78 HIS HIS B . n B 1 79 LYS 79 79 79 LYS LYS B . n B 1 80 VAL 80 80 80 VAL VAL B . n B 1 81 THR 81 81 81 THR THR B . n B 1 82 SER 82 82 82 SER SER B . n B 1 83 LYS 83 83 83 LYS LYS B . n B 1 84 VAL 84 84 84 VAL VAL B . n B 1 85 ILE 85 85 85 ILE ILE B . n B 1 86 GLU 86 86 86 GLU GLU B . n B 1 87 LYS 87 87 87 LYS LYS B . n B 1 88 PHE 88 88 88 PHE PHE B . n B 1 89 PRO 89 89 89 PRO PRO B . n B 1 90 ALA 90 90 90 ALA ALA B . n B 1 91 PRO 91 91 91 PRO PRO B . n B 1 92 VAL 92 92 92 VAL VAL B . n B 1 93 HIS 93 93 93 HIS HIS B . n B 1 94 ILE 94 94 94 ILE ILE B . n B 1 95 CYS 95 95 95 CYS CYS B . n B 1 96 VAL 96 96 96 VAL VAL B . n B 1 97 SER 97 97 97 SER SER B . n B 1 98 TRP 98 98 98 TRP TRP B . n B 1 99 GLU 99 99 99 GLU GLU B . n B 1 100 SER 100 100 100 SER SER B . n B 1 101 SER 101 101 101 SER SER B . n B 1 102 SER 102 102 102 SER SER B . n B 1 103 GLY 103 103 103 GLY GLY B . n B 1 104 ILE 104 104 104 ILE ILE B . n B 1 105 ALA 105 105 105 ALA ALA B . n B 1 106 GLU 106 106 106 GLU GLU B . n B 1 107 PHE 107 107 107 PHE PHE B . n B 1 108 TRP 108 108 108 TRP TRP B . n B 1 109 ILE 109 109 109 ILE ILE B . n B 1 110 ASN 110 110 110 ASN ASN B . n B 1 111 GLY 111 111 111 GLY GLY B . n B 1 112 THR 112 112 112 THR THR B . n B 1 113 PRO 113 113 113 PRO PRO B . n B 1 114 LEU 114 114 114 LEU LEU B . n B 1 115 VAL 115 115 115 VAL VAL B . n B 1 116 LYS 116 116 116 LYS LYS B . n B 1 117 LYS 117 117 117 LYS LYS B . n B 1 118 GLY 118 118 118 GLY GLY B . n B 1 119 LEU 119 119 119 LEU LEU B . n B 1 120 ARG 120 120 120 ARG ARG B . n B 1 121 GLN 121 121 121 GLN GLN B . n B 1 122 GLY 122 122 122 GLY GLY B . n B 1 123 TYR 123 123 123 TYR TYR B . n B 1 124 PHE 124 124 124 PHE PHE B . n B 1 125 VAL 125 125 125 VAL VAL B . n B 1 126 GLU 126 126 126 GLU GLU B . n B 1 127 ALA 127 127 127 ALA ALA B . n B 1 128 GLN 128 128 128 GLN GLN B . n B 1 129 PRO 129 129 129 PRO PRO B . n B 1 130 LYS 130 130 130 LYS LYS B . n B 1 131 ILE 131 131 131 ILE ILE B . n B 1 132 VAL 132 132 132 VAL VAL B . n B 1 133 LEU 133 133 133 LEU LEU B . n B 1 134 GLY 134 134 134 GLY GLY B . n B 1 135 GLN 135 135 135 GLN GLN B . n B 1 136 GLU 136 136 136 GLU GLU B . n B 1 137 GLN 137 137 137 GLN GLN B . n B 1 138 ASP 138 138 138 ASP ASP B . n B 1 139 SER 139 139 139 SER SER B . n B 1 140 TYR 140 140 140 TYR TYR B . n B 1 141 GLY 141 141 141 GLY GLY B . n B 1 142 GLY 142 142 142 GLY GLY B . n B 1 143 LYS 143 143 143 LYS LYS B . n B 1 144 PHE 144 144 144 PHE PHE B . n B 1 145 ASP 145 145 145 ASP ASP B . n B 1 146 ARG 146 146 146 ARG ARG B . n B 1 147 SER 147 147 147 SER SER B . n B 1 148 GLN 148 148 148 GLN GLN B . n B 1 149 SER 149 149 149 SER SER B . n B 1 150 PHE 150 150 150 PHE PHE B . n B 1 151 VAL 151 151 151 VAL VAL B . n B 1 152 GLY 152 152 152 GLY GLY B . n B 1 153 GLU 153 153 153 GLU GLU B . n B 1 154 ILE 154 154 154 ILE ILE B . n B 1 155 GLY 155 155 155 GLY GLY B . n B 1 156 ASP 156 156 156 ASP ASP B . n B 1 157 LEU 157 157 157 LEU LEU B . n B 1 158 TYR 158 158 158 TYR TYR B . n B 1 159 MET 159 159 159 MET MET B . n B 1 160 TRP 160 160 160 TRP TRP B . n B 1 161 ASP 161 161 161 ASP ASP B . n B 1 162 SER 162 162 162 SER SER B . n B 1 163 VAL 163 163 163 VAL VAL B . n B 1 164 LEU 164 164 164 LEU LEU B . n B 1 165 PRO 165 165 165 PRO PRO B . n B 1 166 PRO 166 166 166 PRO PRO B . n B 1 167 GLU 167 167 167 GLU GLU B . n B 1 168 ASN 168 168 168 ASN ASN B . n B 1 169 ILE 169 169 169 ILE ILE B . n B 1 170 LEU 170 170 170 LEU LEU B . n B 1 171 SER 171 171 171 SER SER B . n B 1 172 ALA 172 172 172 ALA ALA B . n B 1 173 TYR 173 173 173 TYR TYR B . n B 1 174 GLN 174 174 174 GLN GLN B . n B 1 175 GLY 175 175 175 GLY GLY B . n B 1 176 THR 176 176 176 THR THR B . n B 1 177 PRO 177 177 177 PRO PRO B . n B 1 178 LEU 178 178 178 LEU LEU B . n B 1 179 PRO 179 179 179 PRO PRO B . n B 1 180 ALA 180 180 180 ALA ALA B . n B 1 181 ASN 181 181 181 ASN ASN B . n B 1 182 ILE 182 182 182 ILE ILE B . n B 1 183 LEU 183 183 183 LEU LEU B . n B 1 184 ASP 184 184 184 ASP ASP B . n B 1 185 TRP 185 185 185 TRP TRP B . n B 1 186 GLN 186 186 186 GLN GLN B . n B 1 187 ALA 187 187 187 ALA ALA B . n B 1 188 LEU 188 188 188 LEU LEU B . n B 1 189 ASN 189 189 189 ASN ASN B . n B 1 190 TYR 190 190 190 TYR TYR B . n B 1 191 GLU 191 191 191 GLU GLU B . n B 1 192 ILE 192 192 192 ILE ILE B . n B 1 193 ARG 193 193 193 ARG ARG B . n B 1 194 GLY 194 194 194 GLY GLY B . n B 1 195 TYR 195 195 195 TYR TYR B . n B 1 196 VAL 196 196 196 VAL VAL B . n B 1 197 ILE 197 197 197 ILE ILE B . n B 1 198 ILE 198 198 198 ILE ILE B . n B 1 199 LYS 199 199 199 LYS LYS B . n B 1 200 PRO 200 200 200 PRO PRO B . n B 1 201 LEU 201 201 201 LEU LEU B . n B 1 202 VAL 202 202 202 VAL VAL B . n B 1 203 TRP 203 203 203 TRP TRP B . n B 1 204 VAL 204 204 204 VAL VAL B . n C 1 1 HIS 1 1 1 HIS HIS C . n C 1 2 THR 2 2 2 THR THR C . n C 1 3 ASP 3 3 3 ASP ASP C . n C 1 4 LEU 4 4 4 LEU LEU C . n C 1 5 SER 5 5 5 SER SER C . n C 1 6 GLY 6 6 6 GLY GLY C . n C 1 7 LYS 7 7 7 LYS LYS C . n C 1 8 VAL 8 8 8 VAL VAL C . n C 1 9 PHE 9 9 9 PHE PHE C . n C 1 10 VAL 10 10 10 VAL VAL C . n C 1 11 PHE 11 11 11 PHE PHE C . n C 1 12 PRO 12 12 12 PRO PRO C . n C 1 13 ARG 13 13 13 ARG ARG C . n C 1 14 GLU 14 14 14 GLU GLU C . n C 1 15 SER 15 15 15 SER SER C . n C 1 16 VAL 16 16 16 VAL VAL C . n C 1 17 THR 17 17 17 THR THR C . n C 1 18 ASP 18 18 18 ASP ASP C . n C 1 19 HIS 19 19 19 HIS HIS C . n C 1 20 VAL 20 20 20 VAL VAL C . n C 1 21 ASN 21 21 21 ASN ASN C . n C 1 22 LEU 22 22 22 LEU LEU C . n C 1 23 ILE 23 23 23 ILE ILE C . n C 1 24 THR 24 24 24 THR THR C . n C 1 25 PRO 25 25 25 PRO PRO C . n C 1 26 LEU 26 26 26 LEU LEU C . n C 1 27 GLU 27 27 27 GLU GLU C . n C 1 28 LYS 28 28 28 LYS LYS C . n C 1 29 PRO 29 29 29 PRO PRO C . n C 1 30 LEU 30 30 30 LEU LEU C . n C 1 31 GLN 31 31 31 GLN GLN C . n C 1 32 ASN 32 32 32 ASN ASN C . n C 1 33 PHE 33 33 33 PHE PHE C . n C 1 34 THR 34 34 34 THR THR C . n C 1 35 LEU 35 35 35 LEU LEU C . n C 1 36 CYS 36 36 36 CYS CYS C . n C 1 37 PHE 37 37 37 PHE PHE C . n C 1 38 ARG 38 38 38 ARG ARG C . n C 1 39 ALA 39 39 39 ALA ALA C . n C 1 40 TYR 40 40 40 TYR TYR C . n C 1 41 SER 41 41 41 SER SER C . n C 1 42 ASP 42 42 42 ASP ASP C . n C 1 43 LEU 43 43 43 LEU LEU C . n C 1 44 SER 44 44 44 SER SER C . n C 1 45 ARG 45 45 45 ARG ARG C . n C 1 46 ALA 46 46 46 ALA ALA C . n C 1 47 TYR 47 47 47 TYR TYR C . n C 1 48 SER 48 48 48 SER SER C . n C 1 49 LEU 49 49 49 LEU LEU C . n C 1 50 PHE 50 50 50 PHE PHE C . n C 1 51 SER 51 51 51 SER SER C . n C 1 52 TYR 52 52 52 TYR TYR C . n C 1 53 ASN 53 53 53 ASN ASN C . n C 1 54 THR 54 54 54 THR THR C . n C 1 55 GLN 55 55 55 GLN GLN C . n C 1 56 GLY 56 56 56 GLY GLY C . n C 1 57 ARG 57 57 57 ARG ARG C . n C 1 58 ASP 58 58 58 ASP ASP C . n C 1 59 ASN 59 59 59 ASN ASN C . n C 1 60 GLU 60 60 60 GLU GLU C . n C 1 61 LEU 61 61 61 LEU LEU C . n C 1 62 LEU 62 62 62 LEU LEU C . n C 1 63 VAL 63 63 63 VAL VAL C . n C 1 64 TYR 64 64 64 TYR TYR C . n C 1 65 LYS 65 65 65 LYS LYS C . n C 1 66 GLU 66 66 66 GLU GLU C . n C 1 67 ARG 67 67 67 ARG ARG C . n C 1 68 VAL 68 68 68 VAL VAL C . n C 1 69 GLY 69 69 69 GLY GLY C . n C 1 70 GLU 70 70 70 GLU GLU C . n C 1 71 TYR 71 71 71 TYR TYR C . n C 1 72 SER 72 72 72 SER SER C . n C 1 73 LEU 73 73 73 LEU LEU C . n C 1 74 TYR 74 74 74 TYR TYR C . n C 1 75 ILE 75 75 75 ILE ILE C . n C 1 76 GLY 76 76 76 GLY GLY C . n C 1 77 ARG 77 77 77 ARG ARG C . n C 1 78 HIS 78 78 78 HIS HIS C . n C 1 79 LYS 79 79 79 LYS LYS C . n C 1 80 VAL 80 80 80 VAL VAL C . n C 1 81 THR 81 81 81 THR THR C . n C 1 82 SER 82 82 82 SER SER C . n C 1 83 LYS 83 83 83 LYS LYS C . n C 1 84 VAL 84 84 84 VAL VAL C . n C 1 85 ILE 85 85 85 ILE ILE C . n C 1 86 GLU 86 86 86 GLU GLU C . n C 1 87 LYS 87 87 87 LYS LYS C . n C 1 88 PHE 88 88 88 PHE PHE C . n C 1 89 PRO 89 89 89 PRO PRO C . n C 1 90 ALA 90 90 90 ALA ALA C . n C 1 91 PRO 91 91 91 PRO PRO C . n C 1 92 VAL 92 92 92 VAL VAL C . n C 1 93 HIS 93 93 93 HIS HIS C . n C 1 94 ILE 94 94 94 ILE ILE C . n C 1 95 CYS 95 95 95 CYS CYS C . n C 1 96 VAL 96 96 96 VAL VAL C . n C 1 97 SER 97 97 97 SER SER C . n C 1 98 TRP 98 98 98 TRP TRP C . n C 1 99 GLU 99 99 99 GLU GLU C . n C 1 100 SER 100 100 100 SER SER C . n C 1 101 SER 101 101 101 SER SER C . n C 1 102 SER 102 102 102 SER SER C . n C 1 103 GLY 103 103 103 GLY GLY C . n C 1 104 ILE 104 104 104 ILE ILE C . n C 1 105 ALA 105 105 105 ALA ALA C . n C 1 106 GLU 106 106 106 GLU GLU C . n C 1 107 PHE 107 107 107 PHE PHE C . n C 1 108 TRP 108 108 108 TRP TRP C . n C 1 109 ILE 109 109 109 ILE ILE C . n C 1 110 ASN 110 110 110 ASN ASN C . n C 1 111 GLY 111 111 111 GLY GLY C . n C 1 112 THR 112 112 112 THR THR C . n C 1 113 PRO 113 113 113 PRO PRO C . n C 1 114 LEU 114 114 114 LEU LEU C . n C 1 115 VAL 115 115 115 VAL VAL C . n C 1 116 LYS 116 116 116 LYS LYS C . n C 1 117 LYS 117 117 117 LYS LYS C . n C 1 118 GLY 118 118 118 GLY GLY C . n C 1 119 LEU 119 119 119 LEU LEU C . n C 1 120 ARG 120 120 120 ARG ARG C . n C 1 121 GLN 121 121 121 GLN GLN C . n C 1 122 GLY 122 122 122 GLY GLY C . n C 1 123 TYR 123 123 123 TYR TYR C . n C 1 124 PHE 124 124 124 PHE PHE C . n C 1 125 VAL 125 125 125 VAL VAL C . n C 1 126 GLU 126 126 126 GLU GLU C . n C 1 127 ALA 127 127 127 ALA ALA C . n C 1 128 GLN 128 128 128 GLN GLN C . n C 1 129 PRO 129 129 129 PRO PRO C . n C 1 130 LYS 130 130 130 LYS LYS C . n C 1 131 ILE 131 131 131 ILE ILE C . n C 1 132 VAL 132 132 132 VAL VAL C . n C 1 133 LEU 133 133 133 LEU LEU C . n C 1 134 GLY 134 134 134 GLY GLY C . n C 1 135 GLN 135 135 135 GLN GLN C . n C 1 136 GLU 136 136 136 GLU GLU C . n C 1 137 GLN 137 137 137 GLN GLN C . n C 1 138 ASP 138 138 138 ASP ASP C . n C 1 139 SER 139 139 139 SER SER C . n C 1 140 TYR 140 140 140 TYR TYR C . n C 1 141 GLY 141 141 141 GLY GLY C . n C 1 142 GLY 142 142 142 GLY GLY C . n C 1 143 LYS 143 143 143 LYS LYS C . n C 1 144 PHE 144 144 144 PHE PHE C . n C 1 145 ASP 145 145 145 ASP ASP C . n C 1 146 ARG 146 146 146 ARG ARG C . n C 1 147 SER 147 147 147 SER SER C . n C 1 148 GLN 148 148 148 GLN GLN C . n C 1 149 SER 149 149 149 SER SER C . n C 1 150 PHE 150 150 150 PHE PHE C . n C 1 151 VAL 151 151 151 VAL VAL C . n C 1 152 GLY 152 152 152 GLY GLY C . n C 1 153 GLU 153 153 153 GLU GLU C . n C 1 154 ILE 154 154 154 ILE ILE C . n C 1 155 GLY 155 155 155 GLY GLY C . n C 1 156 ASP 156 156 156 ASP ASP C . n C 1 157 LEU 157 157 157 LEU LEU C . n C 1 158 TYR 158 158 158 TYR TYR C . n C 1 159 MET 159 159 159 MET MET C . n C 1 160 TRP 160 160 160 TRP TRP C . n C 1 161 ASP 161 161 161 ASP ASP C . n C 1 162 SER 162 162 162 SER SER C . n C 1 163 VAL 163 163 163 VAL VAL C . n C 1 164 LEU 164 164 164 LEU LEU C . n C 1 165 PRO 165 165 165 PRO PRO C . n C 1 166 PRO 166 166 166 PRO PRO C . n C 1 167 GLU 167 167 167 GLU GLU C . n C 1 168 ASN 168 168 168 ASN ASN C . n C 1 169 ILE 169 169 169 ILE ILE C . n C 1 170 LEU 170 170 170 LEU LEU C . n C 1 171 SER 171 171 171 SER SER C . n C 1 172 ALA 172 172 172 ALA ALA C . n C 1 173 TYR 173 173 173 TYR TYR C . n C 1 174 GLN 174 174 174 GLN GLN C . n C 1 175 GLY 175 175 175 GLY GLY C . n C 1 176 THR 176 176 176 THR THR C . n C 1 177 PRO 177 177 177 PRO PRO C . n C 1 178 LEU 178 178 178 LEU LEU C . n C 1 179 PRO 179 179 179 PRO PRO C . n C 1 180 ALA 180 180 180 ALA ALA C . n C 1 181 ASN 181 181 181 ASN ASN C . n C 1 182 ILE 182 182 182 ILE ILE C . n C 1 183 LEU 183 183 183 LEU LEU C . n C 1 184 ASP 184 184 184 ASP ASP C . n C 1 185 TRP 185 185 185 TRP TRP C . n C 1 186 GLN 186 186 186 GLN GLN C . n C 1 187 ALA 187 187 187 ALA ALA C . n C 1 188 LEU 188 188 188 LEU LEU C . n C 1 189 ASN 189 189 189 ASN ASN C . n C 1 190 TYR 190 190 190 TYR TYR C . n C 1 191 GLU 191 191 191 GLU GLU C . n C 1 192 ILE 192 192 192 ILE ILE C . n C 1 193 ARG 193 193 193 ARG ARG C . n C 1 194 GLY 194 194 194 GLY GLY C . n C 1 195 TYR 195 195 195 TYR TYR C . n C 1 196 VAL 196 196 196 VAL VAL C . n C 1 197 ILE 197 197 197 ILE ILE C . n C 1 198 ILE 198 198 198 ILE ILE C . n C 1 199 LYS 199 199 199 LYS LYS C . n C 1 200 PRO 200 200 200 PRO PRO C . n C 1 201 LEU 201 201 201 LEU LEU C . n C 1 202 VAL 202 202 202 VAL VAL C . n C 1 203 TRP 203 203 203 TRP TRP C . n C 1 204 VAL 204 204 204 VAL VAL C . n D 1 1 HIS 1 1 1 HIS HIS D . n D 1 2 THR 2 2 2 THR THR D . n D 1 3 ASP 3 3 3 ASP ASP D . n D 1 4 LEU 4 4 4 LEU LEU D . n D 1 5 SER 5 5 5 SER SER D . n D 1 6 GLY 6 6 6 GLY GLY D . n D 1 7 LYS 7 7 7 LYS LYS D . n D 1 8 VAL 8 8 8 VAL VAL D . n D 1 9 PHE 9 9 9 PHE PHE D . n D 1 10 VAL 10 10 10 VAL VAL D . n D 1 11 PHE 11 11 11 PHE PHE D . n D 1 12 PRO 12 12 12 PRO PRO D . n D 1 13 ARG 13 13 13 ARG ARG D . n D 1 14 GLU 14 14 14 GLU GLU D . n D 1 15 SER 15 15 15 SER SER D . n D 1 16 VAL 16 16 16 VAL VAL D . n D 1 17 THR 17 17 17 THR THR D . n D 1 18 ASP 18 18 18 ASP ASP D . n D 1 19 HIS 19 19 19 HIS HIS D . n D 1 20 VAL 20 20 20 VAL VAL D . n D 1 21 ASN 21 21 21 ASN ASN D . n D 1 22 LEU 22 22 22 LEU LEU D . n D 1 23 ILE 23 23 23 ILE ILE D . n D 1 24 THR 24 24 24 THR THR D . n D 1 25 PRO 25 25 25 PRO PRO D . n D 1 26 LEU 26 26 26 LEU LEU D . n D 1 27 GLU 27 27 27 GLU GLU D . n D 1 28 LYS 28 28 28 LYS LYS D . n D 1 29 PRO 29 29 29 PRO PRO D . n D 1 30 LEU 30 30 30 LEU LEU D . n D 1 31 GLN 31 31 31 GLN GLN D . n D 1 32 ASN 32 32 32 ASN ASN D . n D 1 33 PHE 33 33 33 PHE PHE D . n D 1 34 THR 34 34 34 THR THR D . n D 1 35 LEU 35 35 35 LEU LEU D . n D 1 36 CYS 36 36 36 CYS CYS D . n D 1 37 PHE 37 37 37 PHE PHE D . n D 1 38 ARG 38 38 38 ARG ARG D . n D 1 39 ALA 39 39 39 ALA ALA D . n D 1 40 TYR 40 40 40 TYR TYR D . n D 1 41 SER 41 41 41 SER SER D . n D 1 42 ASP 42 42 42 ASP ASP D . n D 1 43 LEU 43 43 43 LEU LEU D . n D 1 44 SER 44 44 44 SER SER D . n D 1 45 ARG 45 45 45 ARG ARG D . n D 1 46 ALA 46 46 46 ALA ALA D . n D 1 47 TYR 47 47 47 TYR TYR D . n D 1 48 SER 48 48 48 SER SER D . n D 1 49 LEU 49 49 49 LEU LEU D . n D 1 50 PHE 50 50 50 PHE PHE D . n D 1 51 SER 51 51 51 SER SER D . n D 1 52 TYR 52 52 52 TYR TYR D . n D 1 53 ASN 53 53 53 ASN ASN D . n D 1 54 THR 54 54 54 THR THR D . n D 1 55 GLN 55 55 55 GLN GLN D . n D 1 56 GLY 56 56 56 GLY GLY D . n D 1 57 ARG 57 57 57 ARG ARG D . n D 1 58 ASP 58 58 58 ASP ASP D . n D 1 59 ASN 59 59 59 ASN ASN D . n D 1 60 GLU 60 60 60 GLU GLU D . n D 1 61 LEU 61 61 61 LEU LEU D . n D 1 62 LEU 62 62 62 LEU LEU D . n D 1 63 VAL 63 63 63 VAL VAL D . n D 1 64 TYR 64 64 64 TYR TYR D . n D 1 65 LYS 65 65 65 LYS LYS D . n D 1 66 GLU 66 66 66 GLU GLU D . n D 1 67 ARG 67 67 67 ARG ARG D . n D 1 68 VAL 68 68 68 VAL VAL D . n D 1 69 GLY 69 69 69 GLY GLY D . n D 1 70 GLU 70 70 70 GLU GLU D . n D 1 71 TYR 71 71 71 TYR TYR D . n D 1 72 SER 72 72 72 SER SER D . n D 1 73 LEU 73 73 73 LEU LEU D . n D 1 74 TYR 74 74 74 TYR TYR D . n D 1 75 ILE 75 75 75 ILE ILE D . n D 1 76 GLY 76 76 76 GLY GLY D . n D 1 77 ARG 77 77 77 ARG ARG D . n D 1 78 HIS 78 78 78 HIS HIS D . n D 1 79 LYS 79 79 79 LYS LYS D . n D 1 80 VAL 80 80 80 VAL VAL D . n D 1 81 THR 81 81 81 THR THR D . n D 1 82 SER 82 82 82 SER SER D . n D 1 83 LYS 83 83 83 LYS LYS D . n D 1 84 VAL 84 84 84 VAL VAL D . n D 1 85 ILE 85 85 85 ILE ILE D . n D 1 86 GLU 86 86 86 GLU GLU D . n D 1 87 LYS 87 87 87 LYS LYS D . n D 1 88 PHE 88 88 88 PHE PHE D . n D 1 89 PRO 89 89 89 PRO PRO D . n D 1 90 ALA 90 90 90 ALA ALA D . n D 1 91 PRO 91 91 91 PRO PRO D . n D 1 92 VAL 92 92 92 VAL VAL D . n D 1 93 HIS 93 93 93 HIS HIS D . n D 1 94 ILE 94 94 94 ILE ILE D . n D 1 95 CYS 95 95 95 CYS CYS D . n D 1 96 VAL 96 96 96 VAL VAL D . n D 1 97 SER 97 97 97 SER SER D . n D 1 98 TRP 98 98 98 TRP TRP D . n D 1 99 GLU 99 99 99 GLU GLU D . n D 1 100 SER 100 100 100 SER SER D . n D 1 101 SER 101 101 101 SER SER D . n D 1 102 SER 102 102 102 SER SER D . n D 1 103 GLY 103 103 103 GLY GLY D . n D 1 104 ILE 104 104 104 ILE ILE D . n D 1 105 ALA 105 105 105 ALA ALA D . n D 1 106 GLU 106 106 106 GLU GLU D . n D 1 107 PHE 107 107 107 PHE PHE D . n D 1 108 TRP 108 108 108 TRP TRP D . n D 1 109 ILE 109 109 109 ILE ILE D . n D 1 110 ASN 110 110 110 ASN ASN D . n D 1 111 GLY 111 111 111 GLY GLY D . n D 1 112 THR 112 112 112 THR THR D . n D 1 113 PRO 113 113 113 PRO PRO D . n D 1 114 LEU 114 114 114 LEU LEU D . n D 1 115 VAL 115 115 115 VAL VAL D . n D 1 116 LYS 116 116 116 LYS LYS D . n D 1 117 LYS 117 117 117 LYS LYS D . n D 1 118 GLY 118 118 118 GLY GLY D . n D 1 119 LEU 119 119 119 LEU LEU D . n D 1 120 ARG 120 120 120 ARG ARG D . n D 1 121 GLN 121 121 121 GLN GLN D . n D 1 122 GLY 122 122 122 GLY GLY D . n D 1 123 TYR 123 123 123 TYR TYR D . n D 1 124 PHE 124 124 124 PHE PHE D . n D 1 125 VAL 125 125 125 VAL VAL D . n D 1 126 GLU 126 126 126 GLU GLU D . n D 1 127 ALA 127 127 127 ALA ALA D . n D 1 128 GLN 128 128 128 GLN GLN D . n D 1 129 PRO 129 129 129 PRO PRO D . n D 1 130 LYS 130 130 130 LYS LYS D . n D 1 131 ILE 131 131 131 ILE ILE D . n D 1 132 VAL 132 132 132 VAL VAL D . n D 1 133 LEU 133 133 133 LEU LEU D . n D 1 134 GLY 134 134 134 GLY GLY D . n D 1 135 GLN 135 135 135 GLN GLN D . n D 1 136 GLU 136 136 136 GLU GLU D . n D 1 137 GLN 137 137 137 GLN GLN D . n D 1 138 ASP 138 138 138 ASP ASP D . n D 1 139 SER 139 139 139 SER SER D . n D 1 140 TYR 140 140 140 TYR TYR D . n D 1 141 GLY 141 141 141 GLY GLY D . n D 1 142 GLY 142 142 142 GLY GLY D . n D 1 143 LYS 143 143 143 LYS LYS D . n D 1 144 PHE 144 144 144 PHE PHE D . n D 1 145 ASP 145 145 145 ASP ASP D . n D 1 146 ARG 146 146 146 ARG ARG D . n D 1 147 SER 147 147 147 SER SER D . n D 1 148 GLN 148 148 148 GLN GLN D . n D 1 149 SER 149 149 149 SER SER D . n D 1 150 PHE 150 150 150 PHE PHE D . n D 1 151 VAL 151 151 151 VAL VAL D . n D 1 152 GLY 152 152 152 GLY GLY D . n D 1 153 GLU 153 153 153 GLU GLU D . n D 1 154 ILE 154 154 154 ILE ILE D . n D 1 155 GLY 155 155 155 GLY GLY D . n D 1 156 ASP 156 156 156 ASP ASP D . n D 1 157 LEU 157 157 157 LEU LEU D . n D 1 158 TYR 158 158 158 TYR TYR D . n D 1 159 MET 159 159 159 MET MET D . n D 1 160 TRP 160 160 160 TRP TRP D . n D 1 161 ASP 161 161 161 ASP ASP D . n D 1 162 SER 162 162 162 SER SER D . n D 1 163 VAL 163 163 163 VAL VAL D . n D 1 164 LEU 164 164 164 LEU LEU D . n D 1 165 PRO 165 165 165 PRO PRO D . n D 1 166 PRO 166 166 166 PRO PRO D . n D 1 167 GLU 167 167 167 GLU GLU D . n D 1 168 ASN 168 168 168 ASN ASN D . n D 1 169 ILE 169 169 169 ILE ILE D . n D 1 170 LEU 170 170 170 LEU LEU D . n D 1 171 SER 171 171 171 SER SER D . n D 1 172 ALA 172 172 172 ALA ALA D . n D 1 173 TYR 173 173 173 TYR TYR D . n D 1 174 GLN 174 174 174 GLN GLN D . n D 1 175 GLY 175 175 175 GLY GLY D . n D 1 176 THR 176 176 176 THR THR D . n D 1 177 PRO 177 177 177 PRO PRO D . n D 1 178 LEU 178 178 178 LEU LEU D . n D 1 179 PRO 179 179 179 PRO PRO D . n D 1 180 ALA 180 180 180 ALA ALA D . n D 1 181 ASN 181 181 181 ASN ASN D . n D 1 182 ILE 182 182 182 ILE ILE D . n D 1 183 LEU 183 183 183 LEU LEU D . n D 1 184 ASP 184 184 184 ASP ASP D . n D 1 185 TRP 185 185 185 TRP TRP D . n D 1 186 GLN 186 186 186 GLN GLN D . n D 1 187 ALA 187 187 187 ALA ALA D . n D 1 188 LEU 188 188 188 LEU LEU D . n D 1 189 ASN 189 189 189 ASN ASN D . n D 1 190 TYR 190 190 190 TYR TYR D . n D 1 191 GLU 191 191 191 GLU GLU D . n D 1 192 ILE 192 192 192 ILE ILE D . n D 1 193 ARG 193 193 193 ARG ARG D . n D 1 194 GLY 194 194 194 GLY GLY D . n D 1 195 TYR 195 195 195 TYR TYR D . n D 1 196 VAL 196 196 196 VAL VAL D . n D 1 197 ILE 197 197 197 ILE ILE D . n D 1 198 ILE 198 198 198 ILE ILE D . n D 1 199 LYS 199 199 199 LYS LYS D . n D 1 200 PRO 200 200 200 PRO PRO D . n D 1 201 LEU 201 201 201 LEU LEU D . n D 1 202 VAL 202 202 202 VAL VAL D . n D 1 203 TRP 203 203 203 TRP TRP D . n D 1 204 VAL 204 204 204 VAL VAL D . n E 1 1 HIS 1 1 1 HIS HIS E . n E 1 2 THR 2 2 2 THR THR E . n E 1 3 ASP 3 3 3 ASP ASP E . n E 1 4 LEU 4 4 4 LEU LEU E . n E 1 5 SER 5 5 5 SER SER E . n E 1 6 GLY 6 6 6 GLY GLY E . n E 1 7 LYS 7 7 7 LYS LYS E . n E 1 8 VAL 8 8 8 VAL VAL E . n E 1 9 PHE 9 9 9 PHE PHE E . n E 1 10 VAL 10 10 10 VAL VAL E . n E 1 11 PHE 11 11 11 PHE PHE E . n E 1 12 PRO 12 12 12 PRO PRO E . n E 1 13 ARG 13 13 13 ARG ARG E . n E 1 14 GLU 14 14 14 GLU GLU E . n E 1 15 SER 15 15 15 SER SER E . n E 1 16 VAL 16 16 16 VAL VAL E . n E 1 17 THR 17 17 17 THR THR E . n E 1 18 ASP 18 18 18 ASP ASP E . n E 1 19 HIS 19 19 19 HIS HIS E . n E 1 20 VAL 20 20 20 VAL VAL E . n E 1 21 ASN 21 21 21 ASN ASN E . n E 1 22 LEU 22 22 22 LEU LEU E . n E 1 23 ILE 23 23 23 ILE ILE E . n E 1 24 THR 24 24 24 THR THR E . n E 1 25 PRO 25 25 25 PRO PRO E . n E 1 26 LEU 26 26 26 LEU LEU E . n E 1 27 GLU 27 27 27 GLU GLU E . n E 1 28 LYS 28 28 28 LYS LYS E . n E 1 29 PRO 29 29 29 PRO PRO E . n E 1 30 LEU 30 30 30 LEU LEU E . n E 1 31 GLN 31 31 31 GLN GLN E . n E 1 32 ASN 32 32 32 ASN ASN E . n E 1 33 PHE 33 33 33 PHE PHE E . n E 1 34 THR 34 34 34 THR THR E . n E 1 35 LEU 35 35 35 LEU LEU E . n E 1 36 CYS 36 36 36 CYS CYS E . n E 1 37 PHE 37 37 37 PHE PHE E . n E 1 38 ARG 38 38 38 ARG ARG E . n E 1 39 ALA 39 39 39 ALA ALA E . n E 1 40 TYR 40 40 40 TYR TYR E . n E 1 41 SER 41 41 41 SER SER E . n E 1 42 ASP 42 42 42 ASP ASP E . n E 1 43 LEU 43 43 43 LEU LEU E . n E 1 44 SER 44 44 44 SER SER E . n E 1 45 ARG 45 45 45 ARG ARG E . n E 1 46 ALA 46 46 46 ALA ALA E . n E 1 47 TYR 47 47 47 TYR TYR E . n E 1 48 SER 48 48 48 SER SER E . n E 1 49 LEU 49 49 49 LEU LEU E . n E 1 50 PHE 50 50 50 PHE PHE E . n E 1 51 SER 51 51 51 SER SER E . n E 1 52 TYR 52 52 52 TYR TYR E . n E 1 53 ASN 53 53 53 ASN ASN E . n E 1 54 THR 54 54 54 THR THR E . n E 1 55 GLN 55 55 55 GLN GLN E . n E 1 56 GLY 56 56 56 GLY GLY E . n E 1 57 ARG 57 57 57 ARG ARG E . n E 1 58 ASP 58 58 58 ASP ASP E . n E 1 59 ASN 59 59 59 ASN ASN E . n E 1 60 GLU 60 60 60 GLU GLU E . n E 1 61 LEU 61 61 61 LEU LEU E . n E 1 62 LEU 62 62 62 LEU LEU E . n E 1 63 VAL 63 63 63 VAL VAL E . n E 1 64 TYR 64 64 64 TYR TYR E . n E 1 65 LYS 65 65 65 LYS LYS E . n E 1 66 GLU 66 66 66 GLU GLU E . n E 1 67 ARG 67 67 67 ARG ARG E . n E 1 68 VAL 68 68 68 VAL VAL E . n E 1 69 GLY 69 69 69 GLY GLY E . n E 1 70 GLU 70 70 70 GLU GLU E . n E 1 71 TYR 71 71 71 TYR TYR E . n E 1 72 SER 72 72 72 SER SER E . n E 1 73 LEU 73 73 73 LEU LEU E . n E 1 74 TYR 74 74 74 TYR TYR E . n E 1 75 ILE 75 75 75 ILE ILE E . n E 1 76 GLY 76 76 76 GLY GLY E . n E 1 77 ARG 77 77 77 ARG ARG E . n E 1 78 HIS 78 78 78 HIS HIS E . n E 1 79 LYS 79 79 79 LYS LYS E . n E 1 80 VAL 80 80 80 VAL VAL E . n E 1 81 THR 81 81 81 THR THR E . n E 1 82 SER 82 82 82 SER SER E . n E 1 83 LYS 83 83 83 LYS LYS E . n E 1 84 VAL 84 84 84 VAL VAL E . n E 1 85 ILE 85 85 85 ILE ILE E . n E 1 86 GLU 86 86 86 GLU GLU E . n E 1 87 LYS 87 87 87 LYS LYS E . n E 1 88 PHE 88 88 88 PHE PHE E . n E 1 89 PRO 89 89 89 PRO PRO E . n E 1 90 ALA 90 90 90 ALA ALA E . n E 1 91 PRO 91 91 91 PRO PRO E . n E 1 92 VAL 92 92 92 VAL VAL E . n E 1 93 HIS 93 93 93 HIS HIS E . n E 1 94 ILE 94 94 94 ILE ILE E . n E 1 95 CYS 95 95 95 CYS CYS E . n E 1 96 VAL 96 96 96 VAL VAL E . n E 1 97 SER 97 97 97 SER SER E . n E 1 98 TRP 98 98 98 TRP TRP E . n E 1 99 GLU 99 99 99 GLU GLU E . n E 1 100 SER 100 100 100 SER SER E . n E 1 101 SER 101 101 101 SER SER E . n E 1 102 SER 102 102 102 SER SER E . n E 1 103 GLY 103 103 103 GLY GLY E . n E 1 104 ILE 104 104 104 ILE ILE E . n E 1 105 ALA 105 105 105 ALA ALA E . n E 1 106 GLU 106 106 106 GLU GLU E . n E 1 107 PHE 107 107 107 PHE PHE E . n E 1 108 TRP 108 108 108 TRP TRP E . n E 1 109 ILE 109 109 109 ILE ILE E . n E 1 110 ASN 110 110 110 ASN ASN E . n E 1 111 GLY 111 111 111 GLY GLY E . n E 1 112 THR 112 112 112 THR THR E . n E 1 113 PRO 113 113 113 PRO PRO E . n E 1 114 LEU 114 114 114 LEU LEU E . n E 1 115 VAL 115 115 115 VAL VAL E . n E 1 116 LYS 116 116 116 LYS LYS E . n E 1 117 LYS 117 117 117 LYS LYS E . n E 1 118 GLY 118 118 118 GLY GLY E . n E 1 119 LEU 119 119 119 LEU LEU E . n E 1 120 ARG 120 120 120 ARG ARG E . n E 1 121 GLN 121 121 121 GLN GLN E . n E 1 122 GLY 122 122 122 GLY GLY E . n E 1 123 TYR 123 123 123 TYR TYR E . n E 1 124 PHE 124 124 124 PHE PHE E . n E 1 125 VAL 125 125 125 VAL VAL E . n E 1 126 GLU 126 126 126 GLU GLU E . n E 1 127 ALA 127 127 127 ALA ALA E . n E 1 128 GLN 128 128 128 GLN GLN E . n E 1 129 PRO 129 129 129 PRO PRO E . n E 1 130 LYS 130 130 130 LYS LYS E . n E 1 131 ILE 131 131 131 ILE ILE E . n E 1 132 VAL 132 132 132 VAL VAL E . n E 1 133 LEU 133 133 133 LEU LEU E . n E 1 134 GLY 134 134 134 GLY GLY E . n E 1 135 GLN 135 135 135 GLN GLN E . n E 1 136 GLU 136 136 136 GLU GLU E . n E 1 137 GLN 137 137 137 GLN GLN E . n E 1 138 ASP 138 138 138 ASP ASP E . n E 1 139 SER 139 139 139 SER SER E . n E 1 140 TYR 140 140 140 TYR TYR E . n E 1 141 GLY 141 141 141 GLY GLY E . n E 1 142 GLY 142 142 142 GLY GLY E . n E 1 143 LYS 143 143 143 LYS LYS E . n E 1 144 PHE 144 144 144 PHE PHE E . n E 1 145 ASP 145 145 145 ASP ASP E . n E 1 146 ARG 146 146 146 ARG ARG E . n E 1 147 SER 147 147 147 SER SER E . n E 1 148 GLN 148 148 148 GLN GLN E . n E 1 149 SER 149 149 149 SER SER E . n E 1 150 PHE 150 150 150 PHE PHE E . n E 1 151 VAL 151 151 151 VAL VAL E . n E 1 152 GLY 152 152 152 GLY GLY E . n E 1 153 GLU 153 153 153 GLU GLU E . n E 1 154 ILE 154 154 154 ILE ILE E . n E 1 155 GLY 155 155 155 GLY GLY E . n E 1 156 ASP 156 156 156 ASP ASP E . n E 1 157 LEU 157 157 157 LEU LEU E . n E 1 158 TYR 158 158 158 TYR TYR E . n E 1 159 MET 159 159 159 MET MET E . n E 1 160 TRP 160 160 160 TRP TRP E . n E 1 161 ASP 161 161 161 ASP ASP E . n E 1 162 SER 162 162 162 SER SER E . n E 1 163 VAL 163 163 163 VAL VAL E . n E 1 164 LEU 164 164 164 LEU LEU E . n E 1 165 PRO 165 165 165 PRO PRO E . n E 1 166 PRO 166 166 166 PRO PRO E . n E 1 167 GLU 167 167 167 GLU GLU E . n E 1 168 ASN 168 168 168 ASN ASN E . n E 1 169 ILE 169 169 169 ILE ILE E . n E 1 170 LEU 170 170 170 LEU LEU E . n E 1 171 SER 171 171 171 SER SER E . n E 1 172 ALA 172 172 172 ALA ALA E . n E 1 173 TYR 173 173 173 TYR TYR E . n E 1 174 GLN 174 174 174 GLN GLN E . n E 1 175 GLY 175 175 175 GLY GLY E . n E 1 176 THR 176 176 176 THR THR E . n E 1 177 PRO 177 177 177 PRO PRO E . n E 1 178 LEU 178 178 178 LEU LEU E . n E 1 179 PRO 179 179 179 PRO PRO E . n E 1 180 ALA 180 180 180 ALA ALA E . n E 1 181 ASN 181 181 181 ASN ASN E . n E 1 182 ILE 182 182 182 ILE ILE E . n E 1 183 LEU 183 183 183 LEU LEU E . n E 1 184 ASP 184 184 184 ASP ASP E . n E 1 185 TRP 185 185 185 TRP TRP E . n E 1 186 GLN 186 186 186 GLN GLN E . n E 1 187 ALA 187 187 187 ALA ALA E . n E 1 188 LEU 188 188 188 LEU LEU E . n E 1 189 ASN 189 189 189 ASN ASN E . n E 1 190 TYR 190 190 190 TYR TYR E . n E 1 191 GLU 191 191 191 GLU GLU E . n E 1 192 ILE 192 192 192 ILE ILE E . n E 1 193 ARG 193 193 193 ARG ARG E . n E 1 194 GLY 194 194 194 GLY GLY E . n E 1 195 TYR 195 195 195 TYR TYR E . n E 1 196 VAL 196 196 196 VAL VAL E . n E 1 197 ILE 197 197 197 ILE ILE E . n E 1 198 ILE 198 198 198 ILE ILE E . n E 1 199 LYS 199 199 199 LYS LYS E . n E 1 200 PRO 200 200 200 PRO PRO E . n E 1 201 LEU 201 201 201 LEU LEU E . n E 1 202 VAL 202 202 202 VAL VAL E . n E 1 203 TRP 203 203 203 TRP TRP E . n E 1 204 VAL 204 204 204 VAL VAL E . n # loop_ _pdbx_nonpoly_scheme.asym_id _pdbx_nonpoly_scheme.entity_id _pdbx_nonpoly_scheme.mon_id _pdbx_nonpoly_scheme.ndb_seq_num _pdbx_nonpoly_scheme.pdb_seq_num _pdbx_nonpoly_scheme.auth_seq_num _pdbx_nonpoly_scheme.pdb_mon_id _pdbx_nonpoly_scheme.auth_mon_id _pdbx_nonpoly_scheme.pdb_strand_id _pdbx_nonpoly_scheme.pdb_ins_code F 2 OPE 1 700 700 OPE OPE A . G 3 CA 1 205 205 CA CA A . H 4 NAG 1 207 207 NAG NAG A . I 3 CA 1 206 206 CA CA A . J 2 OPE 1 1700 1700 OPE OPE B . K 3 CA 1 205 205 CA CA B . L 4 NAG 1 207 207 NAG NAG B . M 3 CA 1 206 206 CA CA B . N 2 OPE 1 2700 2700 OPE OPE C . O 3 CA 1 205 205 CA CA C . P 3 CA 1 206 206 CA CA C . Q 4 NAG 1 207 207 NAG NAG C . R 2 OPE 1 3700 3700 OPE OPE D . S 3 CA 1 205 205 CA CA D . T 4 NAG 1 207 207 NAG NAG D . U 3 CA 1 206 206 CA CA D . V 2 OPE 1 4700 4700 OPE OPE E . W 3 CA 1 205 205 CA CA E . X 4 NAG 1 207 207 NAG NAG E . Y 3 CA 1 206 206 CA CA E . Z 5 HOH 1 208 3 HOH HOH A . Z 5 HOH 2 209 4 HOH HOH A . Z 5 HOH 3 210 7 HOH HOH A . Z 5 HOH 4 211 11 HOH HOH A . Z 5 HOH 5 212 26 HOH HOH A . Z 5 HOH 6 213 27 HOH HOH A . Z 5 HOH 7 214 30 HOH HOH A . Z 5 HOH 8 215 37 HOH HOH A . Z 5 HOH 9 216 39 HOH HOH A . Z 5 HOH 10 217 217 HOH HOH A . Z 5 HOH 11 218 48 HOH HOH A . Z 5 HOH 12 219 51 HOH HOH A . Z 5 HOH 13 220 52 HOH HOH A . Z 5 HOH 14 221 54 HOH HOH A . Z 5 HOH 15 222 72 HOH HOH A . Z 5 HOH 16 223 73 HOH HOH A . Z 5 HOH 17 224 74 HOH HOH A . Z 5 HOH 18 225 79 HOH HOH A . Z 5 HOH 19 226 87 HOH HOH A . Z 5 HOH 20 227 88 HOH HOH A . Z 5 HOH 21 228 98 HOH HOH A . Z 5 HOH 22 229 229 HOH HOH A . Z 5 HOH 23 230 99 HOH HOH A . Z 5 HOH 24 231 100 HOH HOH A . Z 5 HOH 25 232 101 HOH HOH A . Z 5 HOH 26 233 136 HOH HOH A . Z 5 HOH 27 234 140 HOH HOH A . Z 5 HOH 28 235 235 HOH HOH A . Z 5 HOH 29 236 141 HOH HOH A . Z 5 HOH 30 237 155 HOH HOH A . Z 5 HOH 31 238 156 HOH HOH A . Z 5 HOH 32 239 161 HOH HOH A . Z 5 HOH 33 240 170 HOH HOH A . Z 5 HOH 34 241 171 HOH HOH A . Z 5 HOH 35 242 179 HOH HOH A . Z 5 HOH 36 243 180 HOH HOH A . Z 5 HOH 37 244 205 HOH HOH A . Z 5 HOH 38 249 249 HOH HOH A . Z 5 HOH 39 271 271 HOH HOH A . Z 5 HOH 40 278 278 HOH HOH A . Z 5 HOH 41 283 283 HOH HOH A . Z 5 HOH 42 286 286 HOH HOH A . Z 5 HOH 43 295 295 HOH HOH A . Z 5 HOH 44 296 296 HOH HOH A . Z 5 HOH 45 305 305 HOH HOH A . Z 5 HOH 46 307 307 HOH HOH A . Z 5 HOH 47 308 308 HOH HOH A . Z 5 HOH 48 310 310 HOH HOH A . Z 5 HOH 49 312 312 HOH HOH A . Z 5 HOH 50 314 314 HOH HOH A . Z 5 HOH 51 318 318 HOH HOH A . Z 5 HOH 52 329 329 HOH HOH A . Z 5 HOH 53 334 334 HOH HOH A . Z 5 HOH 54 338 338 HOH HOH A . Z 5 HOH 55 345 345 HOH HOH A . Z 5 HOH 56 347 347 HOH HOH A . Z 5 HOH 57 350 350 HOH HOH A . Z 5 HOH 58 353 353 HOH HOH A . Z 5 HOH 59 359 359 HOH HOH A . Z 5 HOH 60 364 364 HOH HOH A . Z 5 HOH 61 366 366 HOH HOH A . Z 5 HOH 62 375 375 HOH HOH A . Z 5 HOH 63 376 376 HOH HOH A . Z 5 HOH 64 377 377 HOH HOH A . Z 5 HOH 65 378 378 HOH HOH A . Z 5 HOH 66 379 379 HOH HOH A . Z 5 HOH 67 380 380 HOH HOH A . Z 5 HOH 68 381 381 HOH HOH A . Z 5 HOH 69 382 382 HOH HOH A . Z 5 HOH 70 383 383 HOH HOH A . Z 5 HOH 71 384 384 HOH HOH A . Z 5 HOH 72 385 385 HOH HOH A . Z 5 HOH 73 386 386 HOH HOH A . Z 5 HOH 74 387 387 HOH HOH A . Z 5 HOH 75 388 388 HOH HOH A . Z 5 HOH 76 389 389 HOH HOH A . Z 5 HOH 77 390 390 HOH HOH A . Z 5 HOH 78 391 391 HOH HOH A . Z 5 HOH 79 392 392 HOH HOH A . Z 5 HOH 80 393 393 HOH HOH A . Z 5 HOH 81 394 394 HOH HOH A . Z 5 HOH 82 395 395 HOH HOH A . Z 5 HOH 83 396 396 HOH HOH A . Z 5 HOH 84 397 397 HOH HOH A . Z 5 HOH 85 398 398 HOH HOH A . Z 5 HOH 86 399 399 HOH HOH A . Z 5 HOH 87 400 400 HOH HOH A . Z 5 HOH 88 401 401 HOH HOH A . Z 5 HOH 89 402 402 HOH HOH A . Z 5 HOH 90 404 404 HOH HOH A . Z 5 HOH 91 407 407 HOH HOH A . Z 5 HOH 92 408 408 HOH HOH A . Z 5 HOH 93 409 409 HOH HOH A . Z 5 HOH 94 410 410 HOH HOH A . Z 5 HOH 95 411 411 HOH HOH A . Z 5 HOH 96 412 412 HOH HOH A . Z 5 HOH 97 413 413 HOH HOH A . Z 5 HOH 98 414 414 HOH HOH A . Z 5 HOH 99 415 415 HOH HOH A . Z 5 HOH 100 416 416 HOH HOH A . Z 5 HOH 101 417 417 HOH HOH A . Z 5 HOH 102 418 418 HOH HOH A . Z 5 HOH 103 419 419 HOH HOH A . Z 5 HOH 104 420 420 HOH HOH A . Z 5 HOH 105 421 421 HOH HOH A . Z 5 HOH 106 422 422 HOH HOH A . Z 5 HOH 107 605 605 HOH HOH A . Z 5 HOH 108 615 615 HOH HOH A . Z 5 HOH 109 617 617 HOH HOH A . Z 5 HOH 110 624 624 HOH HOH A . Z 5 HOH 111 638 638 HOH HOH A . Z 5 HOH 112 643 643 HOH HOH A . Z 5 HOH 113 657 657 HOH HOH A . Z 5 HOH 114 670 670 HOH HOH A . Z 5 HOH 115 682 682 HOH HOH A . Z 5 HOH 116 684 684 HOH HOH A . Z 5 HOH 117 696 696 HOH HOH A . Z 5 HOH 118 701 701 HOH HOH A . Z 5 HOH 119 711 711 HOH HOH A . Z 5 HOH 120 724 724 HOH HOH A . Z 5 HOH 121 735 735 HOH HOH A . Z 5 HOH 122 740 740 HOH HOH A . Z 5 HOH 123 752 752 HOH HOH A . Z 5 HOH 124 753 753 HOH HOH A . Z 5 HOH 125 763 763 HOH HOH A . Z 5 HOH 126 766 766 HOH HOH A . Z 5 HOH 127 815 815 HOH HOH A . Z 5 HOH 128 819 819 HOH HOH A . Z 5 HOH 129 822 822 HOH HOH A . Z 5 HOH 130 826 826 HOH HOH A . Z 5 HOH 131 830 830 HOH HOH A . Z 5 HOH 132 838 838 HOH HOH A . Z 5 HOH 133 839 839 HOH HOH A . Z 5 HOH 134 840 840 HOH HOH A . Z 5 HOH 135 841 841 HOH HOH A . Z 5 HOH 136 842 842 HOH HOH A . Z 5 HOH 137 843 843 HOH HOH A . Z 5 HOH 138 844 844 HOH HOH A . Z 5 HOH 139 845 845 HOH HOH A . Z 5 HOH 140 846 846 HOH HOH A . Z 5 HOH 141 847 847 HOH HOH A . Z 5 HOH 142 848 848 HOH HOH A . Z 5 HOH 143 849 849 HOH HOH A . Z 5 HOH 144 850 850 HOH HOH A . Z 5 HOH 145 851 851 HOH HOH A . Z 5 HOH 146 852 852 HOH HOH A . Z 5 HOH 147 853 853 HOH HOH A . Z 5 HOH 148 854 854 HOH HOH A . Z 5 HOH 149 911 911 HOH HOH A . Z 5 HOH 150 912 912 HOH HOH A . Z 5 HOH 151 923 923 HOH HOH A . Z 5 HOH 152 925 925 HOH HOH A . Z 5 HOH 153 934 934 HOH HOH A . Z 5 HOH 154 935 935 HOH HOH A . Z 5 HOH 155 943 943 HOH HOH A . Z 5 HOH 156 956 956 HOH HOH A . Z 5 HOH 157 964 964 HOH HOH A . Z 5 HOH 158 965 965 HOH HOH A . Z 5 HOH 159 975 975 HOH HOH A . Z 5 HOH 160 986 986 HOH HOH A . Z 5 HOH 161 989 989 HOH HOH A . Z 5 HOH 162 993 993 HOH HOH A . Z 5 HOH 163 994 994 HOH HOH A . Z 5 HOH 164 1001 1001 HOH HOH A . Z 5 HOH 165 1003 1003 HOH HOH A . Z 5 HOH 166 1004 1004 HOH HOH A . Z 5 HOH 167 1005 1005 HOH HOH A . Z 5 HOH 168 1007 1007 HOH HOH A . Z 5 HOH 169 1008 1008 HOH HOH A . Z 5 HOH 170 1009 1009 HOH HOH A . Z 5 HOH 171 1010 1010 HOH HOH A . Z 5 HOH 172 1011 1011 HOH HOH A . Z 5 HOH 173 1013 1013 HOH HOH A . Z 5 HOH 174 1014 1014 HOH HOH A . Z 5 HOH 175 1015 1015 HOH HOH A . Z 5 HOH 176 1017 1017 HOH HOH A . Z 5 HOH 177 1018 1018 HOH HOH A . Z 5 HOH 178 1019 1019 HOH HOH A . Z 5 HOH 179 1020 1020 HOH HOH A . Z 5 HOH 180 1022 1022 HOH HOH A . Z 5 HOH 181 1023 1023 HOH HOH A . Z 5 HOH 182 1024 1024 HOH HOH A . Z 5 HOH 183 1025 1025 HOH HOH A . Z 5 HOH 184 1026 1026 HOH HOH A . Z 5 HOH 185 1027 1027 HOH HOH A . Z 5 HOH 186 1028 1028 HOH HOH A . Z 5 HOH 187 1029 1029 HOH HOH A . Z 5 HOH 188 1201 1201 HOH HOH A . Z 5 HOH 189 1202 1202 HOH HOH A . Z 5 HOH 190 1203 1203 HOH HOH A . Z 5 HOH 191 1266 1266 HOH HOH A . Z 5 HOH 192 1267 1267 HOH HOH A . Z 5 HOH 193 1268 1268 HOH HOH A . Z 5 HOH 194 1269 1269 HOH HOH A . Z 5 HOH 195 1270 1270 HOH HOH A . Z 5 HOH 196 1271 1271 HOH HOH A . Z 5 HOH 197 1272 1272 HOH HOH A . Z 5 HOH 198 1273 1273 HOH HOH A . Z 5 HOH 199 1277 1277 HOH HOH A . Z 5 HOH 200 1278 1278 HOH HOH A . Z 5 HOH 201 1279 1279 HOH HOH A . Z 5 HOH 202 1280 1280 HOH HOH A . Z 5 HOH 203 1281 1281 HOH HOH A . Z 5 HOH 204 1282 1282 HOH HOH A . Z 5 HOH 205 1283 1283 HOH HOH A . Z 5 HOH 206 1284 1284 HOH HOH A . Z 5 HOH 207 1285 1285 HOH HOH A . Z 5 HOH 208 1286 1286 HOH HOH A . Z 5 HOH 209 1288 1288 HOH HOH A . Z 5 HOH 210 1289 1289 HOH HOH A . Z 5 HOH 211 1290 1290 HOH HOH A . Z 5 HOH 212 1291 1291 HOH HOH A . Z 5 HOH 213 1292 1292 HOH HOH A . Z 5 HOH 214 1293 1293 HOH HOH A . Z 5 HOH 215 1314 1314 HOH HOH A . Z 5 HOH 216 1380 1380 HOH HOH A . Z 5 HOH 217 1398 1398 HOH HOH A . Z 5 HOH 218 1399 1399 HOH HOH A . Z 5 HOH 219 1406 1406 HOH HOH A . Z 5 HOH 220 1407 1407 HOH HOH A . Z 5 HOH 221 1427 1427 HOH HOH A . Z 5 HOH 222 1429 1429 HOH HOH A . Z 5 HOH 223 1437 1437 HOH HOH A . Z 5 HOH 224 1441 1441 HOH HOH A . Z 5 HOH 225 1443 1443 HOH HOH A . Z 5 HOH 226 1445 1445 HOH HOH A . Z 5 HOH 227 1447 1447 HOH HOH A . Z 5 HOH 228 1454 1454 HOH HOH A . Z 5 HOH 229 1457 1457 HOH HOH A . Z 5 HOH 230 1459 1459 HOH HOH A . Z 5 HOH 231 1463 1463 HOH HOH A . Z 5 HOH 232 1465 1465 HOH HOH A . Z 5 HOH 233 1467 1467 HOH HOH A . Z 5 HOH 234 1468 1468 HOH HOH A . Z 5 HOH 235 1469 1469 HOH HOH A . Z 5 HOH 236 1470 1470 HOH HOH A . Z 5 HOH 237 1471 1471 HOH HOH A . Z 5 HOH 238 1473 1473 HOH HOH A . Z 5 HOH 239 1474 1474 HOH HOH A . Z 5 HOH 240 1475 1475 HOH HOH A . Z 5 HOH 241 1476 1476 HOH HOH A . Z 5 HOH 242 1478 1478 HOH HOH A . AA 5 HOH 1 208 5 HOH HOH B . AA 5 HOH 2 209 19 HOH HOH B . AA 5 HOH 3 210 210 HOH HOH B . AA 5 HOH 4 211 211 HOH HOH B . AA 5 HOH 5 212 43 HOH HOH B . AA 5 HOH 6 213 213 HOH HOH B . AA 5 HOH 7 214 49 HOH HOH B . AA 5 HOH 8 215 215 HOH HOH B . AA 5 HOH 9 216 50 HOH HOH B . AA 5 HOH 10 217 55 HOH HOH B . AA 5 HOH 11 218 58 HOH HOH B . AA 5 HOH 12 219 60 HOH HOH B . AA 5 HOH 13 220 62 HOH HOH B . AA 5 HOH 14 221 64 HOH HOH B . AA 5 HOH 15 222 65 HOH HOH B . AA 5 HOH 16 223 66 HOH HOH B . AA 5 HOH 17 224 224 HOH HOH B . AA 5 HOH 18 225 67 HOH HOH B . AA 5 HOH 19 226 226 HOH HOH B . AA 5 HOH 20 227 68 HOH HOH B . AA 5 HOH 21 228 83 HOH HOH B . AA 5 HOH 22 229 85 HOH HOH B . AA 5 HOH 23 230 86 HOH HOH B . AA 5 HOH 24 231 231 HOH HOH B . AA 5 HOH 25 232 89 HOH HOH B . AA 5 HOH 26 233 233 HOH HOH B . AA 5 HOH 27 234 90 HOH HOH B . AA 5 HOH 28 235 91 HOH HOH B . AA 5 HOH 29 236 102 HOH HOH B . AA 5 HOH 30 237 103 HOH HOH B . AA 5 HOH 31 238 137 HOH HOH B . AA 5 HOH 32 239 138 HOH HOH B . AA 5 HOH 33 240 240 HOH HOH B . AA 5 HOH 34 241 139 HOH HOH B . AA 5 HOH 35 242 143 HOH HOH B . AA 5 HOH 36 243 144 HOH HOH B . AA 5 HOH 37 244 145 HOH HOH B . AA 5 HOH 38 245 149 HOH HOH B . AA 5 HOH 39 246 150 HOH HOH B . AA 5 HOH 40 247 151 HOH HOH B . AA 5 HOH 41 248 153 HOH HOH B . AA 5 HOH 42 249 159 HOH HOH B . AA 5 HOH 43 250 160 HOH HOH B . AA 5 HOH 44 251 162 HOH HOH B . AA 5 HOH 45 252 252 HOH HOH B . AA 5 HOH 46 253 253 HOH HOH B . AA 5 HOH 47 254 163 HOH HOH B . AA 5 HOH 48 255 172 HOH HOH B . AA 5 HOH 49 256 178 HOH HOH B . AA 5 HOH 50 257 181 HOH HOH B . AA 5 HOH 51 258 258 HOH HOH B . AA 5 HOH 52 259 191 HOH HOH B . AA 5 HOH 53 260 192 HOH HOH B . AA 5 HOH 54 262 262 HOH HOH B . AA 5 HOH 55 281 281 HOH HOH B . AA 5 HOH 56 289 289 HOH HOH B . AA 5 HOH 57 298 298 HOH HOH B . AA 5 HOH 58 304 304 HOH HOH B . AA 5 HOH 59 306 306 HOH HOH B . AA 5 HOH 60 315 315 HOH HOH B . AA 5 HOH 61 316 316 HOH HOH B . AA 5 HOH 62 320 320 HOH HOH B . AA 5 HOH 63 326 326 HOH HOH B . AA 5 HOH 64 327 327 HOH HOH B . AA 5 HOH 65 331 331 HOH HOH B . AA 5 HOH 66 332 332 HOH HOH B . AA 5 HOH 67 340 340 HOH HOH B . AA 5 HOH 68 346 346 HOH HOH B . AA 5 HOH 69 349 349 HOH HOH B . AA 5 HOH 70 351 351 HOH HOH B . AA 5 HOH 71 363 363 HOH HOH B . AA 5 HOH 72 373 373 HOH HOH B . AA 5 HOH 73 423 423 HOH HOH B . AA 5 HOH 74 424 424 HOH HOH B . AA 5 HOH 75 425 425 HOH HOH B . AA 5 HOH 76 426 426 HOH HOH B . AA 5 HOH 77 427 427 HOH HOH B . AA 5 HOH 78 428 428 HOH HOH B . AA 5 HOH 79 429 429 HOH HOH B . AA 5 HOH 80 430 430 HOH HOH B . AA 5 HOH 81 431 431 HOH HOH B . AA 5 HOH 82 432 432 HOH HOH B . AA 5 HOH 83 433 433 HOH HOH B . AA 5 HOH 84 434 434 HOH HOH B . AA 5 HOH 85 435 435 HOH HOH B . AA 5 HOH 86 436 436 HOH HOH B . AA 5 HOH 87 437 437 HOH HOH B . AA 5 HOH 88 438 438 HOH HOH B . AA 5 HOH 89 439 439 HOH HOH B . AA 5 HOH 90 440 440 HOH HOH B . AA 5 HOH 91 441 441 HOH HOH B . AA 5 HOH 92 442 442 HOH HOH B . AA 5 HOH 93 443 443 HOH HOH B . AA 5 HOH 94 444 444 HOH HOH B . AA 5 HOH 95 445 445 HOH HOH B . AA 5 HOH 96 446 446 HOH HOH B . AA 5 HOH 97 447 447 HOH HOH B . AA 5 HOH 98 448 448 HOH HOH B . AA 5 HOH 99 449 449 HOH HOH B . AA 5 HOH 100 450 450 HOH HOH B . AA 5 HOH 101 451 451 HOH HOH B . AA 5 HOH 102 452 452 HOH HOH B . AA 5 HOH 103 453 453 HOH HOH B . AA 5 HOH 104 454 454 HOH HOH B . AA 5 HOH 105 455 455 HOH HOH B . AA 5 HOH 106 456 456 HOH HOH B . AA 5 HOH 107 457 457 HOH HOH B . AA 5 HOH 108 458 458 HOH HOH B . AA 5 HOH 109 459 459 HOH HOH B . AA 5 HOH 110 460 460 HOH HOH B . AA 5 HOH 111 461 461 HOH HOH B . AA 5 HOH 112 462 462 HOH HOH B . AA 5 HOH 113 463 463 HOH HOH B . AA 5 HOH 114 464 464 HOH HOH B . AA 5 HOH 115 465 465 HOH HOH B . AA 5 HOH 116 466 466 HOH HOH B . AA 5 HOH 117 606 606 HOH HOH B . AA 5 HOH 118 607 607 HOH HOH B . AA 5 HOH 119 612 612 HOH HOH B . AA 5 HOH 120 614 614 HOH HOH B . AA 5 HOH 121 618 618 HOH HOH B . AA 5 HOH 122 625 625 HOH HOH B . AA 5 HOH 123 628 628 HOH HOH B . AA 5 HOH 124 630 630 HOH HOH B . AA 5 HOH 125 635 635 HOH HOH B . AA 5 HOH 126 637 637 HOH HOH B . AA 5 HOH 127 639 639 HOH HOH B . AA 5 HOH 128 644 644 HOH HOH B . AA 5 HOH 129 645 645 HOH HOH B . AA 5 HOH 130 647 647 HOH HOH B . AA 5 HOH 131 648 648 HOH HOH B . AA 5 HOH 132 658 658 HOH HOH B . AA 5 HOH 133 671 671 HOH HOH B . AA 5 HOH 134 691 691 HOH HOH B . AA 5 HOH 135 697 697 HOH HOH B . AA 5 HOH 136 703 703 HOH HOH B . AA 5 HOH 137 705 705 HOH HOH B . AA 5 HOH 138 706 706 HOH HOH B . AA 5 HOH 139 710 710 HOH HOH B . AA 5 HOH 140 712 712 HOH HOH B . AA 5 HOH 141 713 713 HOH HOH B . AA 5 HOH 142 718 718 HOH HOH B . AA 5 HOH 143 723 723 HOH HOH B . AA 5 HOH 144 731 731 HOH HOH B . AA 5 HOH 145 733 733 HOH HOH B . AA 5 HOH 146 738 738 HOH HOH B . AA 5 HOH 147 743 743 HOH HOH B . AA 5 HOH 148 746 746 HOH HOH B . AA 5 HOH 149 756 756 HOH HOH B . AA 5 HOH 150 759 759 HOH HOH B . AA 5 HOH 151 761 761 HOH HOH B . AA 5 HOH 152 768 768 HOH HOH B . AA 5 HOH 153 777 777 HOH HOH B . AA 5 HOH 154 780 780 HOH HOH B . AA 5 HOH 155 789 789 HOH HOH B . AA 5 HOH 156 794 794 HOH HOH B . AA 5 HOH 157 817 817 HOH HOH B . AA 5 HOH 158 823 823 HOH HOH B . AA 5 HOH 159 824 824 HOH HOH B . AA 5 HOH 160 825 825 HOH HOH B . AA 5 HOH 161 827 827 HOH HOH B . AA 5 HOH 162 828 828 HOH HOH B . AA 5 HOH 163 829 829 HOH HOH B . AA 5 HOH 164 855 855 HOH HOH B . AA 5 HOH 165 856 856 HOH HOH B . AA 5 HOH 166 857 857 HOH HOH B . AA 5 HOH 167 858 858 HOH HOH B . AA 5 HOH 168 859 859 HOH HOH B . AA 5 HOH 169 860 860 HOH HOH B . AA 5 HOH 170 861 861 HOH HOH B . AA 5 HOH 171 862 862 HOH HOH B . AA 5 HOH 172 863 863 HOH HOH B . AA 5 HOH 173 905 905 HOH HOH B . AA 5 HOH 174 907 907 HOH HOH B . AA 5 HOH 175 917 917 HOH HOH B . AA 5 HOH 176 924 924 HOH HOH B . AA 5 HOH 177 927 927 HOH HOH B . AA 5 HOH 178 932 932 HOH HOH B . AA 5 HOH 179 933 933 HOH HOH B . AA 5 HOH 180 939 939 HOH HOH B . AA 5 HOH 181 941 941 HOH HOH B . AA 5 HOH 182 952 952 HOH HOH B . AA 5 HOH 183 960 960 HOH HOH B . AA 5 HOH 184 963 963 HOH HOH B . AA 5 HOH 185 966 966 HOH HOH B . AA 5 HOH 186 967 967 HOH HOH B . AA 5 HOH 187 968 968 HOH HOH B . AA 5 HOH 188 969 969 HOH HOH B . AA 5 HOH 189 972 972 HOH HOH B . AA 5 HOH 190 980 980 HOH HOH B . AA 5 HOH 191 982 982 HOH HOH B . AA 5 HOH 192 987 987 HOH HOH B . AA 5 HOH 193 988 988 HOH HOH B . AA 5 HOH 194 996 996 HOH HOH B . AA 5 HOH 195 998 998 HOH HOH B . AA 5 HOH 196 1002 1002 HOH HOH B . AA 5 HOH 197 1012 1012 HOH HOH B . AA 5 HOH 198 1030 1030 HOH HOH B . AA 5 HOH 199 1031 1031 HOH HOH B . AA 5 HOH 200 1032 1032 HOH HOH B . AA 5 HOH 201 1033 1033 HOH HOH B . AA 5 HOH 202 1034 1034 HOH HOH B . AA 5 HOH 203 1035 1035 HOH HOH B . AA 5 HOH 204 1036 1036 HOH HOH B . AA 5 HOH 205 1037 1037 HOH HOH B . AA 5 HOH 206 1038 1038 HOH HOH B . AA 5 HOH 207 1039 1039 HOH HOH B . AA 5 HOH 208 1041 1041 HOH HOH B . AA 5 HOH 209 1042 1042 HOH HOH B . AA 5 HOH 210 1043 1043 HOH HOH B . AA 5 HOH 211 1044 1044 HOH HOH B . AA 5 HOH 212 1045 1045 HOH HOH B . AA 5 HOH 213 1046 1046 HOH HOH B . AA 5 HOH 214 1047 1047 HOH HOH B . AA 5 HOH 215 1048 1048 HOH HOH B . AA 5 HOH 216 1050 1050 HOH HOH B . AA 5 HOH 217 1051 1051 HOH HOH B . AA 5 HOH 218 1052 1052 HOH HOH B . AA 5 HOH 219 1053 1053 HOH HOH B . AA 5 HOH 220 1054 1054 HOH HOH B . AA 5 HOH 221 1056 1056 HOH HOH B . AA 5 HOH 222 1057 1057 HOH HOH B . AA 5 HOH 223 1058 1058 HOH HOH B . AA 5 HOH 224 1060 1060 HOH HOH B . AA 5 HOH 225 1061 1061 HOH HOH B . AA 5 HOH 226 1062 1062 HOH HOH B . AA 5 HOH 227 1063 1063 HOH HOH B . AA 5 HOH 228 1064 1064 HOH HOH B . AA 5 HOH 229 1065 1065 HOH HOH B . AA 5 HOH 230 1066 1066 HOH HOH B . AA 5 HOH 231 1068 1068 HOH HOH B . AA 5 HOH 232 1069 1069 HOH HOH B . AA 5 HOH 233 1071 1071 HOH HOH B . AA 5 HOH 234 1072 1072 HOH HOH B . AA 5 HOH 235 1073 1073 HOH HOH B . AA 5 HOH 236 1075 1075 HOH HOH B . AA 5 HOH 237 1077 1077 HOH HOH B . AA 5 HOH 238 1100 1100 HOH HOH B . AA 5 HOH 239 1101 1101 HOH HOH B . AA 5 HOH 240 1102 1102 HOH HOH B . AA 5 HOH 241 1294 1294 HOH HOH B . AA 5 HOH 242 1295 1295 HOH HOH B . AA 5 HOH 243 1296 1296 HOH HOH B . AA 5 HOH 244 1297 1297 HOH HOH B . AA 5 HOH 245 1298 1298 HOH HOH B . AA 5 HOH 246 1299 1299 HOH HOH B . AA 5 HOH 247 1300 1300 HOH HOH B . AA 5 HOH 248 1301 1301 HOH HOH B . AA 5 HOH 249 1302 1302 HOH HOH B . AA 5 HOH 250 1303 1303 HOH HOH B . AA 5 HOH 251 1305 1305 HOH HOH B . AA 5 HOH 252 1306 1306 HOH HOH B . AA 5 HOH 253 1307 1307 HOH HOH B . AA 5 HOH 254 1308 1308 HOH HOH B . AA 5 HOH 255 1309 1309 HOH HOH B . AA 5 HOH 256 1310 1310 HOH HOH B . AA 5 HOH 257 1312 1312 HOH HOH B . AA 5 HOH 258 1313 1313 HOH HOH B . AA 5 HOH 259 1315 1315 HOH HOH B . AA 5 HOH 260 1316 1316 HOH HOH B . AA 5 HOH 261 1317 1317 HOH HOH B . AA 5 HOH 262 1318 1318 HOH HOH B . AA 5 HOH 263 1319 1319 HOH HOH B . AA 5 HOH 264 1320 1320 HOH HOH B . AA 5 HOH 265 1321 1321 HOH HOH B . AA 5 HOH 266 1322 1322 HOH HOH B . AA 5 HOH 267 1323 1323 HOH HOH B . AA 5 HOH 268 1324 1324 HOH HOH B . AA 5 HOH 269 1325 1325 HOH HOH B . AA 5 HOH 270 1326 1326 HOH HOH B . AA 5 HOH 271 1363 1363 HOH HOH B . AA 5 HOH 272 1364 1364 HOH HOH B . AA 5 HOH 273 1365 1365 HOH HOH B . AA 5 HOH 274 1366 1366 HOH HOH B . AA 5 HOH 275 1367 1367 HOH HOH B . AA 5 HOH 276 1368 1368 HOH HOH B . AA 5 HOH 277 1370 1370 HOH HOH B . AA 5 HOH 278 1374 1374 HOH HOH B . AA 5 HOH 279 1376 1376 HOH HOH B . AA 5 HOH 280 1379 1379 HOH HOH B . AA 5 HOH 281 1382 1382 HOH HOH B . AA 5 HOH 282 1386 1386 HOH HOH B . AA 5 HOH 283 1388 1388 HOH HOH B . AA 5 HOH 284 1391 1391 HOH HOH B . AA 5 HOH 285 1395 1395 HOH HOH B . AA 5 HOH 286 1396 1396 HOH HOH B . AA 5 HOH 287 1397 1397 HOH HOH B . AA 5 HOH 288 1416 1416 HOH HOH B . AA 5 HOH 289 1435 1435 HOH HOH B . AA 5 HOH 290 1446 1446 HOH HOH B . AA 5 HOH 291 1452 1452 HOH HOH B . AA 5 HOH 292 1456 1456 HOH HOH B . AA 5 HOH 293 1458 1458 HOH HOH B . AA 5 HOH 294 1462 1462 HOH HOH B . AA 5 HOH 295 1479 1479 HOH HOH B . AA 5 HOH 296 1480 1480 HOH HOH B . AA 5 HOH 297 1481 1481 HOH HOH B . AA 5 HOH 298 1482 1482 HOH HOH B . AA 5 HOH 299 1483 1483 HOH HOH B . AA 5 HOH 300 1484 1484 HOH HOH B . AA 5 HOH 301 1485 1485 HOH HOH B . AA 5 HOH 302 1486 1486 HOH HOH B . AA 5 HOH 303 1487 1487 HOH HOH B . AA 5 HOH 304 1488 1488 HOH HOH B . AA 5 HOH 305 1489 1489 HOH HOH B . AA 5 HOH 306 1490 1490 HOH HOH B . AA 5 HOH 307 1491 1491 HOH HOH B . BA 5 HOH 1 208 1 HOH HOH C . BA 5 HOH 2 209 209 HOH HOH C . BA 5 HOH 3 210 2 HOH HOH C . BA 5 HOH 4 211 12 HOH HOH C . BA 5 HOH 5 212 18 HOH HOH C . BA 5 HOH 6 213 25 HOH HOH C . BA 5 HOH 7 214 31 HOH HOH C . BA 5 HOH 8 215 33 HOH HOH C . BA 5 HOH 9 216 216 HOH HOH C . BA 5 HOH 10 217 40 HOH HOH C . BA 5 HOH 11 218 56 HOH HOH C . BA 5 HOH 12 219 57 HOH HOH C . BA 5 HOH 13 220 59 HOH HOH C . BA 5 HOH 14 221 61 HOH HOH C . BA 5 HOH 15 222 71 HOH HOH C . BA 5 HOH 16 223 223 HOH HOH C . BA 5 HOH 17 224 76 HOH HOH C . BA 5 HOH 18 225 77 HOH HOH C . BA 5 HOH 19 226 80 HOH HOH C . BA 5 HOH 20 227 81 HOH HOH C . BA 5 HOH 21 228 92 HOH HOH C . BA 5 HOH 22 229 93 HOH HOH C . BA 5 HOH 23 230 230 HOH HOH C . BA 5 HOH 24 231 94 HOH HOH C . BA 5 HOH 25 232 110 HOH HOH C . BA 5 HOH 26 233 112 HOH HOH C . BA 5 HOH 27 234 113 HOH HOH C . BA 5 HOH 28 235 116 HOH HOH C . BA 5 HOH 29 236 236 HOH HOH C . BA 5 HOH 30 237 118 HOH HOH C . BA 5 HOH 31 238 124 HOH HOH C . BA 5 HOH 32 239 239 HOH HOH C . BA 5 HOH 33 240 125 HOH HOH C . BA 5 HOH 34 241 241 HOH HOH C . BA 5 HOH 35 242 242 HOH HOH C . BA 5 HOH 36 243 147 HOH HOH C . BA 5 HOH 37 244 244 HOH HOH C . BA 5 HOH 38 245 148 HOH HOH C . BA 5 HOH 39 246 246 HOH HOH C . BA 5 HOH 40 247 247 HOH HOH C . BA 5 HOH 41 248 152 HOH HOH C . BA 5 HOH 42 249 157 HOH HOH C . BA 5 HOH 43 250 164 HOH HOH C . BA 5 HOH 44 251 165 HOH HOH C . BA 5 HOH 45 252 174 HOH HOH C . BA 5 HOH 46 253 184 HOH HOH C . BA 5 HOH 47 254 185 HOH HOH C . BA 5 HOH 48 255 188 HOH HOH C . BA 5 HOH 49 256 194 HOH HOH C . BA 5 HOH 50 257 198 HOH HOH C . BA 5 HOH 51 258 206 HOH HOH C . BA 5 HOH 52 259 259 HOH HOH C . BA 5 HOH 53 260 207 HOH HOH C . BA 5 HOH 54 261 261 HOH HOH C . BA 5 HOH 55 263 263 HOH HOH C . BA 5 HOH 56 269 269 HOH HOH C . BA 5 HOH 57 270 270 HOH HOH C . BA 5 HOH 58 272 272 HOH HOH C . BA 5 HOH 59 274 274 HOH HOH C . BA 5 HOH 60 275 275 HOH HOH C . BA 5 HOH 61 287 287 HOH HOH C . BA 5 HOH 62 292 292 HOH HOH C . BA 5 HOH 63 294 294 HOH HOH C . BA 5 HOH 64 303 303 HOH HOH C . BA 5 HOH 65 311 311 HOH HOH C . BA 5 HOH 66 321 321 HOH HOH C . BA 5 HOH 67 322 322 HOH HOH C . BA 5 HOH 68 323 323 HOH HOH C . BA 5 HOH 69 324 324 HOH HOH C . BA 5 HOH 70 328 328 HOH HOH C . BA 5 HOH 71 333 333 HOH HOH C . BA 5 HOH 72 336 336 HOH HOH C . BA 5 HOH 73 339 339 HOH HOH C . BA 5 HOH 74 341 341 HOH HOH C . BA 5 HOH 75 342 342 HOH HOH C . BA 5 HOH 76 352 352 HOH HOH C . BA 5 HOH 77 356 356 HOH HOH C . BA 5 HOH 78 358 358 HOH HOH C . BA 5 HOH 79 360 360 HOH HOH C . BA 5 HOH 80 361 361 HOH HOH C . BA 5 HOH 81 369 369 HOH HOH C . BA 5 HOH 82 372 372 HOH HOH C . BA 5 HOH 83 374 374 HOH HOH C . BA 5 HOH 84 467 467 HOH HOH C . BA 5 HOH 85 468 468 HOH HOH C . BA 5 HOH 86 469 469 HOH HOH C . BA 5 HOH 87 470 470 HOH HOH C . BA 5 HOH 88 471 471 HOH HOH C . BA 5 HOH 89 472 472 HOH HOH C . BA 5 HOH 90 473 473 HOH HOH C . BA 5 HOH 91 474 474 HOH HOH C . BA 5 HOH 92 475 475 HOH HOH C . BA 5 HOH 93 476 476 HOH HOH C . BA 5 HOH 94 477 477 HOH HOH C . BA 5 HOH 95 478 478 HOH HOH C . BA 5 HOH 96 479 479 HOH HOH C . BA 5 HOH 97 480 480 HOH HOH C . BA 5 HOH 98 481 481 HOH HOH C . BA 5 HOH 99 482 482 HOH HOH C . BA 5 HOH 100 483 483 HOH HOH C . BA 5 HOH 101 484 484 HOH HOH C . BA 5 HOH 102 485 485 HOH HOH C . BA 5 HOH 103 486 486 HOH HOH C . BA 5 HOH 104 487 487 HOH HOH C . BA 5 HOH 105 488 488 HOH HOH C . BA 5 HOH 106 489 489 HOH HOH C . BA 5 HOH 107 490 490 HOH HOH C . BA 5 HOH 108 491 491 HOH HOH C . BA 5 HOH 109 492 492 HOH HOH C . BA 5 HOH 110 493 493 HOH HOH C . BA 5 HOH 111 494 494 HOH HOH C . BA 5 HOH 112 495 495 HOH HOH C . BA 5 HOH 113 496 496 HOH HOH C . BA 5 HOH 114 497 497 HOH HOH C . BA 5 HOH 115 498 498 HOH HOH C . BA 5 HOH 116 499 499 HOH HOH C . BA 5 HOH 117 500 500 HOH HOH C . BA 5 HOH 118 501 501 HOH HOH C . BA 5 HOH 119 502 502 HOH HOH C . BA 5 HOH 120 503 503 HOH HOH C . BA 5 HOH 121 504 504 HOH HOH C . BA 5 HOH 122 505 505 HOH HOH C . BA 5 HOH 123 506 506 HOH HOH C . BA 5 HOH 124 507 507 HOH HOH C . BA 5 HOH 125 508 508 HOH HOH C . BA 5 HOH 126 509 509 HOH HOH C . BA 5 HOH 127 510 510 HOH HOH C . BA 5 HOH 128 608 608 HOH HOH C . BA 5 HOH 129 609 609 HOH HOH C . BA 5 HOH 130 613 613 HOH HOH C . BA 5 HOH 131 620 620 HOH HOH C . BA 5 HOH 132 629 629 HOH HOH C . BA 5 HOH 133 636 636 HOH HOH C . BA 5 HOH 134 640 640 HOH HOH C . BA 5 HOH 135 646 646 HOH HOH C . BA 5 HOH 136 650 650 HOH HOH C . BA 5 HOH 137 662 662 HOH HOH C . BA 5 HOH 138 665 665 HOH HOH C . BA 5 HOH 139 667 667 HOH HOH C . BA 5 HOH 140 668 668 HOH HOH C . BA 5 HOH 141 669 669 HOH HOH C . BA 5 HOH 142 674 674 HOH HOH C . BA 5 HOH 143 675 675 HOH HOH C . BA 5 HOH 144 679 679 HOH HOH C . BA 5 HOH 145 680 680 HOH HOH C . BA 5 HOH 146 687 687 HOH HOH C . BA 5 HOH 147 688 688 HOH HOH C . BA 5 HOH 148 689 689 HOH HOH C . BA 5 HOH 149 695 695 HOH HOH C . BA 5 HOH 150 698 698 HOH HOH C . BA 5 HOH 151 700 700 HOH HOH C . BA 5 HOH 152 709 709 HOH HOH C . BA 5 HOH 153 722 722 HOH HOH C . BA 5 HOH 154 726 726 HOH HOH C . BA 5 HOH 155 732 732 HOH HOH C . BA 5 HOH 156 741 741 HOH HOH C . BA 5 HOH 157 742 742 HOH HOH C . BA 5 HOH 158 748 748 HOH HOH C . BA 5 HOH 159 750 750 HOH HOH C . BA 5 HOH 160 757 757 HOH HOH C . BA 5 HOH 161 758 758 HOH HOH C . BA 5 HOH 162 762 762 HOH HOH C . BA 5 HOH 163 765 765 HOH HOH C . BA 5 HOH 164 769 769 HOH HOH C . BA 5 HOH 165 772 772 HOH HOH C . BA 5 HOH 166 774 774 HOH HOH C . BA 5 HOH 167 784 784 HOH HOH C . BA 5 HOH 168 786 786 HOH HOH C . BA 5 HOH 169 787 787 HOH HOH C . BA 5 HOH 170 788 788 HOH HOH C . BA 5 HOH 171 791 791 HOH HOH C . BA 5 HOH 172 792 792 HOH HOH C . BA 5 HOH 173 793 793 HOH HOH C . BA 5 HOH 174 797 797 HOH HOH C . BA 5 HOH 175 810 810 HOH HOH C . BA 5 HOH 176 812 812 HOH HOH C . BA 5 HOH 177 816 816 HOH HOH C . BA 5 HOH 178 820 820 HOH HOH C . BA 5 HOH 179 834 834 HOH HOH C . BA 5 HOH 180 864 864 HOH HOH C . BA 5 HOH 181 865 865 HOH HOH C . BA 5 HOH 182 866 866 HOH HOH C . BA 5 HOH 183 867 867 HOH HOH C . BA 5 HOH 184 868 868 HOH HOH C . BA 5 HOH 185 869 869 HOH HOH C . BA 5 HOH 186 871 871 HOH HOH C . BA 5 HOH 187 872 872 HOH HOH C . BA 5 HOH 188 873 873 HOH HOH C . BA 5 HOH 189 874 874 HOH HOH C . BA 5 HOH 190 875 875 HOH HOH C . BA 5 HOH 191 876 876 HOH HOH C . BA 5 HOH 192 910 910 HOH HOH C . BA 5 HOH 193 913 913 HOH HOH C . BA 5 HOH 194 916 916 HOH HOH C . BA 5 HOH 195 918 918 HOH HOH C . BA 5 HOH 196 919 919 HOH HOH C . BA 5 HOH 197 920 920 HOH HOH C . BA 5 HOH 198 921 921 HOH HOH C . BA 5 HOH 199 928 928 HOH HOH C . BA 5 HOH 200 938 938 HOH HOH C . BA 5 HOH 201 946 946 HOH HOH C . BA 5 HOH 202 947 947 HOH HOH C . BA 5 HOH 203 955 955 HOH HOH C . BA 5 HOH 204 957 957 HOH HOH C . BA 5 HOH 205 961 961 HOH HOH C . BA 5 HOH 206 976 976 HOH HOH C . BA 5 HOH 207 977 977 HOH HOH C . BA 5 HOH 208 992 992 HOH HOH C . BA 5 HOH 209 997 997 HOH HOH C . BA 5 HOH 210 1040 1040 HOH HOH C . BA 5 HOH 211 1076 1076 HOH HOH C . BA 5 HOH 212 1079 1079 HOH HOH C . BA 5 HOH 213 1080 1080 HOH HOH C . BA 5 HOH 214 1081 1081 HOH HOH C . BA 5 HOH 215 1082 1082 HOH HOH C . BA 5 HOH 216 1083 1083 HOH HOH C . BA 5 HOH 217 1084 1084 HOH HOH C . BA 5 HOH 218 1085 1085 HOH HOH C . BA 5 HOH 219 1086 1086 HOH HOH C . BA 5 HOH 220 1087 1087 HOH HOH C . BA 5 HOH 221 1089 1089 HOH HOH C . BA 5 HOH 222 1090 1090 HOH HOH C . BA 5 HOH 223 1092 1092 HOH HOH C . BA 5 HOH 224 1093 1093 HOH HOH C . BA 5 HOH 225 1094 1094 HOH HOH C . BA 5 HOH 226 1095 1095 HOH HOH C . BA 5 HOH 227 1096 1096 HOH HOH C . BA 5 HOH 228 1097 1097 HOH HOH C . BA 5 HOH 229 1098 1098 HOH HOH C . BA 5 HOH 230 1099 1099 HOH HOH C . BA 5 HOH 231 1103 1103 HOH HOH C . BA 5 HOH 232 1104 1104 HOH HOH C . BA 5 HOH 233 1105 1105 HOH HOH C . BA 5 HOH 234 1107 1107 HOH HOH C . BA 5 HOH 235 1108 1108 HOH HOH C . BA 5 HOH 236 1110 1110 HOH HOH C . BA 5 HOH 237 1112 1112 HOH HOH C . BA 5 HOH 238 1113 1113 HOH HOH C . BA 5 HOH 239 1114 1114 HOH HOH C . BA 5 HOH 240 1116 1116 HOH HOH C . BA 5 HOH 241 1117 1117 HOH HOH C . BA 5 HOH 242 1118 1118 HOH HOH C . BA 5 HOH 243 1119 1119 HOH HOH C . BA 5 HOH 244 1120 1120 HOH HOH C . BA 5 HOH 245 1121 1121 HOH HOH C . BA 5 HOH 246 1122 1122 HOH HOH C . BA 5 HOH 247 1123 1123 HOH HOH C . BA 5 HOH 248 1125 1125 HOH HOH C . BA 5 HOH 249 1126 1126 HOH HOH C . BA 5 HOH 250 1127 1127 HOH HOH C . BA 5 HOH 251 1128 1128 HOH HOH C . BA 5 HOH 252 1129 1129 HOH HOH C . BA 5 HOH 253 1130 1130 HOH HOH C . BA 5 HOH 254 1327 1327 HOH HOH C . BA 5 HOH 255 1328 1328 HOH HOH C . BA 5 HOH 256 1329 1329 HOH HOH C . BA 5 HOH 257 1330 1330 HOH HOH C . BA 5 HOH 258 1331 1331 HOH HOH C . BA 5 HOH 259 1332 1332 HOH HOH C . BA 5 HOH 260 1334 1334 HOH HOH C . BA 5 HOH 261 1335 1335 HOH HOH C . BA 5 HOH 262 1336 1336 HOH HOH C . BA 5 HOH 263 1337 1337 HOH HOH C . BA 5 HOH 264 1338 1338 HOH HOH C . BA 5 HOH 265 1371 1371 HOH HOH C . BA 5 HOH 266 1372 1372 HOH HOH C . BA 5 HOH 267 1373 1373 HOH HOH C . BA 5 HOH 268 1377 1377 HOH HOH C . BA 5 HOH 269 1378 1378 HOH HOH C . BA 5 HOH 270 1385 1385 HOH HOH C . BA 5 HOH 271 1387 1387 HOH HOH C . BA 5 HOH 272 1390 1390 HOH HOH C . BA 5 HOH 273 1393 1393 HOH HOH C . BA 5 HOH 274 1394 1394 HOH HOH C . BA 5 HOH 275 1403 1403 HOH HOH C . BA 5 HOH 276 1404 1404 HOH HOH C . BA 5 HOH 277 1405 1405 HOH HOH C . BA 5 HOH 278 1408 1408 HOH HOH C . BA 5 HOH 279 1411 1411 HOH HOH C . BA 5 HOH 280 1414 1414 HOH HOH C . BA 5 HOH 281 1415 1415 HOH HOH C . BA 5 HOH 282 1418 1418 HOH HOH C . BA 5 HOH 283 1420 1420 HOH HOH C . BA 5 HOH 284 1428 1428 HOH HOH C . BA 5 HOH 285 1440 1440 HOH HOH C . BA 5 HOH 286 1444 1444 HOH HOH C . BA 5 HOH 287 1460 1460 HOH HOH C . BA 5 HOH 288 1492 1492 HOH HOH C . BA 5 HOH 289 1493 1493 HOH HOH C . BA 5 HOH 290 1494 1494 HOH HOH C . BA 5 HOH 291 1495 1495 HOH HOH C . BA 5 HOH 292 1496 1496 HOH HOH C . BA 5 HOH 293 1497 1497 HOH HOH C . BA 5 HOH 294 1498 1498 HOH HOH C . BA 5 HOH 295 1499 1499 HOH HOH C . BA 5 HOH 296 1500 1500 HOH HOH C . BA 5 HOH 297 1501 1501 HOH HOH C . BA 5 HOH 298 1502 1502 HOH HOH C . BA 5 HOH 299 1503 1503 HOH HOH C . BA 5 HOH 300 1504 1504 HOH HOH C . BA 5 HOH 301 1506 1506 HOH HOH C . BA 5 HOH 302 1508 1508 HOH HOH C . BA 5 HOH 303 1509 1509 HOH HOH C . BA 5 HOH 304 1510 1510 HOH HOH C . BA 5 HOH 305 1512 1512 HOH HOH C . BA 5 HOH 306 1517 1517 HOH HOH C . CA 5 HOH 1 208 208 HOH HOH D . CA 5 HOH 2 209 6 HOH HOH D . CA 5 HOH 3 210 8 HOH HOH D . CA 5 HOH 4 211 9 HOH HOH D . CA 5 HOH 5 212 10 HOH HOH D . CA 5 HOH 6 213 13 HOH HOH D . CA 5 HOH 7 214 214 HOH HOH D . CA 5 HOH 8 215 15 HOH HOH D . CA 5 HOH 9 216 17 HOH HOH D . CA 5 HOH 10 217 20 HOH HOH D . CA 5 HOH 11 218 21 HOH HOH D . CA 5 HOH 12 219 219 HOH HOH D . CA 5 HOH 13 220 220 HOH HOH D . CA 5 HOH 14 221 221 HOH HOH D . CA 5 HOH 15 222 222 HOH HOH D . CA 5 HOH 16 223 28 HOH HOH D . CA 5 HOH 17 224 29 HOH HOH D . CA 5 HOH 18 225 225 HOH HOH D . CA 5 HOH 19 226 32 HOH HOH D . CA 5 HOH 20 227 34 HOH HOH D . CA 5 HOH 21 228 44 HOH HOH D . CA 5 HOH 22 229 45 HOH HOH D . CA 5 HOH 23 230 46 HOH HOH D . CA 5 HOH 24 231 53 HOH HOH D . CA 5 HOH 25 232 232 HOH HOH D . CA 5 HOH 26 233 69 HOH HOH D . CA 5 HOH 27 234 84 HOH HOH D . CA 5 HOH 28 235 95 HOH HOH D . CA 5 HOH 29 236 105 HOH HOH D . CA 5 HOH 30 237 106 HOH HOH D . CA 5 HOH 31 238 107 HOH HOH D . CA 5 HOH 32 239 108 HOH HOH D . CA 5 HOH 33 240 109 HOH HOH D . CA 5 HOH 34 241 111 HOH HOH D . CA 5 HOH 35 242 114 HOH HOH D . CA 5 HOH 36 243 243 HOH HOH D . CA 5 HOH 37 244 115 HOH HOH D . CA 5 HOH 38 245 117 HOH HOH D . CA 5 HOH 39 246 119 HOH HOH D . CA 5 HOH 40 247 120 HOH HOH D . CA 5 HOH 41 248 248 HOH HOH D . CA 5 HOH 42 249 130 HOH HOH D . CA 5 HOH 43 250 131 HOH HOH D . CA 5 HOH 44 251 251 HOH HOH D . CA 5 HOH 45 252 132 HOH HOH D . CA 5 HOH 46 253 135 HOH HOH D . CA 5 HOH 47 254 142 HOH HOH D . CA 5 HOH 48 255 154 HOH HOH D . CA 5 HOH 49 256 256 HOH HOH D . CA 5 HOH 50 257 166 HOH HOH D . CA 5 HOH 51 258 175 HOH HOH D . CA 5 HOH 52 259 177 HOH HOH D . CA 5 HOH 53 260 193 HOH HOH D . CA 5 HOH 54 261 195 HOH HOH D . CA 5 HOH 55 262 196 HOH HOH D . CA 5 HOH 56 263 197 HOH HOH D . CA 5 HOH 57 266 266 HOH HOH D . CA 5 HOH 58 268 268 HOH HOH D . CA 5 HOH 59 277 277 HOH HOH D . CA 5 HOH 60 279 279 HOH HOH D . CA 5 HOH 61 284 284 HOH HOH D . CA 5 HOH 62 288 288 HOH HOH D . CA 5 HOH 63 290 290 HOH HOH D . CA 5 HOH 64 291 291 HOH HOH D . CA 5 HOH 65 293 293 HOH HOH D . CA 5 HOH 66 317 317 HOH HOH D . CA 5 HOH 67 344 344 HOH HOH D . CA 5 HOH 68 354 354 HOH HOH D . CA 5 HOH 69 367 367 HOH HOH D . CA 5 HOH 70 511 511 HOH HOH D . CA 5 HOH 71 512 512 HOH HOH D . CA 5 HOH 72 513 513 HOH HOH D . CA 5 HOH 73 514 514 HOH HOH D . CA 5 HOH 74 515 515 HOH HOH D . CA 5 HOH 75 516 516 HOH HOH D . CA 5 HOH 76 517 517 HOH HOH D . CA 5 HOH 77 518 518 HOH HOH D . CA 5 HOH 78 519 519 HOH HOH D . CA 5 HOH 79 520 520 HOH HOH D . CA 5 HOH 80 521 521 HOH HOH D . CA 5 HOH 81 522 522 HOH HOH D . CA 5 HOH 82 523 523 HOH HOH D . CA 5 HOH 83 524 524 HOH HOH D . CA 5 HOH 84 525 525 HOH HOH D . CA 5 HOH 85 526 526 HOH HOH D . CA 5 HOH 86 527 527 HOH HOH D . CA 5 HOH 87 528 528 HOH HOH D . CA 5 HOH 88 529 529 HOH HOH D . CA 5 HOH 89 530 530 HOH HOH D . CA 5 HOH 90 532 532 HOH HOH D . CA 5 HOH 91 533 533 HOH HOH D . CA 5 HOH 92 534 534 HOH HOH D . CA 5 HOH 93 535 535 HOH HOH D . CA 5 HOH 94 536 536 HOH HOH D . CA 5 HOH 95 537 537 HOH HOH D . CA 5 HOH 96 538 538 HOH HOH D . CA 5 HOH 97 539 539 HOH HOH D . CA 5 HOH 98 540 540 HOH HOH D . CA 5 HOH 99 541 541 HOH HOH D . CA 5 HOH 100 542 542 HOH HOH D . CA 5 HOH 101 543 543 HOH HOH D . CA 5 HOH 102 544 544 HOH HOH D . CA 5 HOH 103 545 545 HOH HOH D . CA 5 HOH 104 546 546 HOH HOH D . CA 5 HOH 105 547 547 HOH HOH D . CA 5 HOH 106 548 548 HOH HOH D . CA 5 HOH 107 549 549 HOH HOH D . CA 5 HOH 108 550 550 HOH HOH D . CA 5 HOH 109 551 551 HOH HOH D . CA 5 HOH 110 552 552 HOH HOH D . CA 5 HOH 111 553 553 HOH HOH D . CA 5 HOH 112 554 554 HOH HOH D . CA 5 HOH 113 555 555 HOH HOH D . CA 5 HOH 114 556 556 HOH HOH D . CA 5 HOH 115 557 557 HOH HOH D . CA 5 HOH 116 558 558 HOH HOH D . CA 5 HOH 117 559 559 HOH HOH D . CA 5 HOH 118 560 560 HOH HOH D . CA 5 HOH 119 561 561 HOH HOH D . CA 5 HOH 120 562 562 HOH HOH D . CA 5 HOH 121 563 563 HOH HOH D . CA 5 HOH 122 564 564 HOH HOH D . CA 5 HOH 123 566 566 HOH HOH D . CA 5 HOH 124 567 567 HOH HOH D . CA 5 HOH 125 610 610 HOH HOH D . CA 5 HOH 126 619 619 HOH HOH D . CA 5 HOH 127 621 621 HOH HOH D . CA 5 HOH 128 641 641 HOH HOH D . CA 5 HOH 129 642 642 HOH HOH D . CA 5 HOH 130 654 654 HOH HOH D . CA 5 HOH 131 656 656 HOH HOH D . CA 5 HOH 132 663 663 HOH HOH D . CA 5 HOH 133 678 678 HOH HOH D . CA 5 HOH 134 685 685 HOH HOH D . CA 5 HOH 135 692 692 HOH HOH D . CA 5 HOH 136 715 715 HOH HOH D . CA 5 HOH 137 716 716 HOH HOH D . CA 5 HOH 138 717 717 HOH HOH D . CA 5 HOH 139 725 725 HOH HOH D . CA 5 HOH 140 734 734 HOH HOH D . CA 5 HOH 141 737 737 HOH HOH D . CA 5 HOH 142 739 739 HOH HOH D . CA 5 HOH 143 749 749 HOH HOH D . CA 5 HOH 144 751 751 HOH HOH D . CA 5 HOH 145 760 760 HOH HOH D . CA 5 HOH 146 764 764 HOH HOH D . CA 5 HOH 147 771 771 HOH HOH D . CA 5 HOH 148 782 782 HOH HOH D . CA 5 HOH 149 790 790 HOH HOH D . CA 5 HOH 150 795 795 HOH HOH D . CA 5 HOH 151 799 799 HOH HOH D . CA 5 HOH 152 800 800 HOH HOH D . CA 5 HOH 153 802 802 HOH HOH D . CA 5 HOH 154 803 803 HOH HOH D . CA 5 HOH 155 804 804 HOH HOH D . CA 5 HOH 156 807 807 HOH HOH D . CA 5 HOH 157 821 821 HOH HOH D . CA 5 HOH 158 832 832 HOH HOH D . CA 5 HOH 159 833 833 HOH HOH D . CA 5 HOH 160 837 837 HOH HOH D . CA 5 HOH 161 877 877 HOH HOH D . CA 5 HOH 162 878 878 HOH HOH D . CA 5 HOH 163 879 879 HOH HOH D . CA 5 HOH 164 880 880 HOH HOH D . CA 5 HOH 165 881 881 HOH HOH D . CA 5 HOH 166 882 882 HOH HOH D . CA 5 HOH 167 883 883 HOH HOH D . CA 5 HOH 168 884 884 HOH HOH D . CA 5 HOH 169 885 885 HOH HOH D . CA 5 HOH 170 886 886 HOH HOH D . CA 5 HOH 171 887 887 HOH HOH D . CA 5 HOH 172 906 906 HOH HOH D . CA 5 HOH 173 908 908 HOH HOH D . CA 5 HOH 174 914 914 HOH HOH D . CA 5 HOH 175 915 915 HOH HOH D . CA 5 HOH 176 922 922 HOH HOH D . CA 5 HOH 177 931 931 HOH HOH D . CA 5 HOH 178 937 937 HOH HOH D . CA 5 HOH 179 942 942 HOH HOH D . CA 5 HOH 180 945 945 HOH HOH D . CA 5 HOH 181 948 948 HOH HOH D . CA 5 HOH 182 951 951 HOH HOH D . CA 5 HOH 183 954 954 HOH HOH D . CA 5 HOH 184 958 958 HOH HOH D . CA 5 HOH 185 973 973 HOH HOH D . CA 5 HOH 186 978 978 HOH HOH D . CA 5 HOH 187 979 979 HOH HOH D . CA 5 HOH 188 995 995 HOH HOH D . CA 5 HOH 189 1088 1088 HOH HOH D . CA 5 HOH 190 1106 1106 HOH HOH D . CA 5 HOH 191 1131 1131 HOH HOH D . CA 5 HOH 192 1132 1132 HOH HOH D . CA 5 HOH 193 1133 1133 HOH HOH D . CA 5 HOH 194 1134 1134 HOH HOH D . CA 5 HOH 195 1135 1135 HOH HOH D . CA 5 HOH 196 1136 1136 HOH HOH D . CA 5 HOH 197 1137 1137 HOH HOH D . CA 5 HOH 198 1139 1139 HOH HOH D . CA 5 HOH 199 1140 1140 HOH HOH D . CA 5 HOH 200 1141 1141 HOH HOH D . CA 5 HOH 201 1142 1142 HOH HOH D . CA 5 HOH 202 1143 1143 HOH HOH D . CA 5 HOH 203 1144 1144 HOH HOH D . CA 5 HOH 204 1145 1145 HOH HOH D . CA 5 HOH 205 1146 1146 HOH HOH D . CA 5 HOH 206 1147 1147 HOH HOH D . CA 5 HOH 207 1148 1148 HOH HOH D . CA 5 HOH 208 1149 1149 HOH HOH D . CA 5 HOH 209 1150 1150 HOH HOH D . CA 5 HOH 210 1151 1151 HOH HOH D . CA 5 HOH 211 1152 1152 HOH HOH D . CA 5 HOH 212 1153 1153 HOH HOH D . CA 5 HOH 213 1155 1155 HOH HOH D . CA 5 HOH 214 1156 1156 HOH HOH D . CA 5 HOH 215 1157 1157 HOH HOH D . CA 5 HOH 216 1158 1158 HOH HOH D . CA 5 HOH 217 1159 1159 HOH HOH D . CA 5 HOH 218 1160 1160 HOH HOH D . CA 5 HOH 219 1161 1161 HOH HOH D . CA 5 HOH 220 1162 1162 HOH HOH D . CA 5 HOH 221 1163 1163 HOH HOH D . CA 5 HOH 222 1164 1164 HOH HOH D . CA 5 HOH 223 1165 1165 HOH HOH D . CA 5 HOH 224 1166 1166 HOH HOH D . CA 5 HOH 225 1167 1167 HOH HOH D . CA 5 HOH 226 1168 1168 HOH HOH D . CA 5 HOH 227 1169 1169 HOH HOH D . CA 5 HOH 228 1170 1170 HOH HOH D . CA 5 HOH 229 1171 1171 HOH HOH D . CA 5 HOH 230 1172 1172 HOH HOH D . CA 5 HOH 231 1174 1174 HOH HOH D . CA 5 HOH 232 1175 1175 HOH HOH D . CA 5 HOH 233 1177 1177 HOH HOH D . CA 5 HOH 234 1178 1178 HOH HOH D . CA 5 HOH 235 1180 1180 HOH HOH D . CA 5 HOH 236 1181 1181 HOH HOH D . CA 5 HOH 237 1182 1182 HOH HOH D . CA 5 HOH 238 1183 1183 HOH HOH D . CA 5 HOH 239 1184 1184 HOH HOH D . CA 5 HOH 240 1185 1185 HOH HOH D . CA 5 HOH 241 1186 1186 HOH HOH D . CA 5 HOH 242 1187 1187 HOH HOH D . CA 5 HOH 243 1189 1189 HOH HOH D . CA 5 HOH 244 1190 1190 HOH HOH D . CA 5 HOH 245 1191 1191 HOH HOH D . CA 5 HOH 246 1192 1192 HOH HOH D . CA 5 HOH 247 1194 1194 HOH HOH D . CA 5 HOH 248 1195 1195 HOH HOH D . CA 5 HOH 249 1339 1339 HOH HOH D . CA 5 HOH 250 1340 1340 HOH HOH D . CA 5 HOH 251 1341 1341 HOH HOH D . CA 5 HOH 252 1342 1342 HOH HOH D . CA 5 HOH 253 1343 1343 HOH HOH D . CA 5 HOH 254 1344 1344 HOH HOH D . CA 5 HOH 255 1345 1345 HOH HOH D . CA 5 HOH 256 1346 1346 HOH HOH D . CA 5 HOH 257 1348 1348 HOH HOH D . CA 5 HOH 258 1349 1349 HOH HOH D . CA 5 HOH 259 1350 1350 HOH HOH D . CA 5 HOH 260 1383 1383 HOH HOH D . CA 5 HOH 261 1400 1400 HOH HOH D . CA 5 HOH 262 1401 1401 HOH HOH D . CA 5 HOH 263 1402 1402 HOH HOH D . CA 5 HOH 264 1410 1410 HOH HOH D . CA 5 HOH 265 1412 1412 HOH HOH D . CA 5 HOH 266 1422 1422 HOH HOH D . CA 5 HOH 267 1425 1425 HOH HOH D . CA 5 HOH 268 1432 1432 HOH HOH D . CA 5 HOH 269 1434 1434 HOH HOH D . CA 5 HOH 270 1438 1438 HOH HOH D . CA 5 HOH 271 1442 1442 HOH HOH D . CA 5 HOH 272 1448 1448 HOH HOH D . CA 5 HOH 273 1450 1450 HOH HOH D . CA 5 HOH 274 1451 1451 HOH HOH D . CA 5 HOH 275 1453 1453 HOH HOH D . CA 5 HOH 276 1513 1513 HOH HOH D . CA 5 HOH 277 1514 1514 HOH HOH D . CA 5 HOH 278 1515 1515 HOH HOH D . CA 5 HOH 279 1519 1519 HOH HOH D . CA 5 HOH 280 1521 1521 HOH HOH D . CA 5 HOH 281 1522 1522 HOH HOH D . CA 5 HOH 282 1523 1523 HOH HOH D . CA 5 HOH 283 1524 1524 HOH HOH D . CA 5 HOH 284 1525 1525 HOH HOH D . CA 5 HOH 285 1526 1526 HOH HOH D . CA 5 HOH 286 1527 1527 HOH HOH D . CA 5 HOH 287 1528 1528 HOH HOH D . CA 5 HOH 288 1529 1529 HOH HOH D . DA 5 HOH 1 208 14 HOH HOH E . DA 5 HOH 2 209 16 HOH HOH E . DA 5 HOH 3 210 22 HOH HOH E . DA 5 HOH 4 211 23 HOH HOH E . DA 5 HOH 5 212 212 HOH HOH E . DA 5 HOH 6 213 24 HOH HOH E . DA 5 HOH 7 214 35 HOH HOH E . DA 5 HOH 8 215 36 HOH HOH E . DA 5 HOH 9 216 38 HOH HOH E . DA 5 HOH 10 217 41 HOH HOH E . DA 5 HOH 11 218 218 HOH HOH E . DA 5 HOH 12 219 47 HOH HOH E . DA 5 HOH 13 220 63 HOH HOH E . DA 5 HOH 14 221 70 HOH HOH E . DA 5 HOH 15 222 75 HOH HOH E . DA 5 HOH 16 223 78 HOH HOH E . DA 5 HOH 17 224 82 HOH HOH E . DA 5 HOH 18 225 96 HOH HOH E . DA 5 HOH 19 226 97 HOH HOH E . DA 5 HOH 20 227 227 HOH HOH E . DA 5 HOH 21 228 228 HOH HOH E . DA 5 HOH 22 229 104 HOH HOH E . DA 5 HOH 23 230 121 HOH HOH E . DA 5 HOH 24 231 122 HOH HOH E . DA 5 HOH 25 232 123 HOH HOH E . DA 5 HOH 26 233 126 HOH HOH E . DA 5 HOH 27 234 234 HOH HOH E . DA 5 HOH 28 235 127 HOH HOH E . DA 5 HOH 29 236 128 HOH HOH E . DA 5 HOH 30 237 237 HOH HOH E . DA 5 HOH 31 238 238 HOH HOH E . DA 5 HOH 32 239 129 HOH HOH E . DA 5 HOH 33 240 133 HOH HOH E . DA 5 HOH 34 241 134 HOH HOH E . DA 5 HOH 35 242 158 HOH HOH E . DA 5 HOH 36 243 167 HOH HOH E . DA 5 HOH 37 244 168 HOH HOH E . DA 5 HOH 38 245 245 HOH HOH E . DA 5 HOH 39 246 169 HOH HOH E . DA 5 HOH 40 247 173 HOH HOH E . DA 5 HOH 41 248 176 HOH HOH E . DA 5 HOH 42 249 182 HOH HOH E . DA 5 HOH 43 250 250 HOH HOH E . DA 5 HOH 44 251 183 HOH HOH E . DA 5 HOH 45 252 186 HOH HOH E . DA 5 HOH 46 253 187 HOH HOH E . DA 5 HOH 47 254 254 HOH HOH E . DA 5 HOH 48 255 255 HOH HOH E . DA 5 HOH 49 256 189 HOH HOH E . DA 5 HOH 50 257 257 HOH HOH E . DA 5 HOH 51 258 190 HOH HOH E . DA 5 HOH 52 259 199 HOH HOH E . DA 5 HOH 53 260 260 HOH HOH E . DA 5 HOH 54 261 200 HOH HOH E . DA 5 HOH 55 262 201 HOH HOH E . DA 5 HOH 56 263 202 HOH HOH E . DA 5 HOH 57 264 264 HOH HOH E . DA 5 HOH 58 265 265 HOH HOH E . DA 5 HOH 59 266 203 HOH HOH E . DA 5 HOH 60 267 267 HOH HOH E . DA 5 HOH 61 268 204 HOH HOH E . DA 5 HOH 62 273 273 HOH HOH E . DA 5 HOH 63 276 276 HOH HOH E . DA 5 HOH 64 280 280 HOH HOH E . DA 5 HOH 65 282 282 HOH HOH E . DA 5 HOH 66 285 285 HOH HOH E . DA 5 HOH 67 297 297 HOH HOH E . DA 5 HOH 68 299 299 HOH HOH E . DA 5 HOH 69 300 300 HOH HOH E . DA 5 HOH 70 301 301 HOH HOH E . DA 5 HOH 71 302 302 HOH HOH E . DA 5 HOH 72 309 309 HOH HOH E . DA 5 HOH 73 313 313 HOH HOH E . DA 5 HOH 74 319 319 HOH HOH E . DA 5 HOH 75 325 325 HOH HOH E . DA 5 HOH 76 330 330 HOH HOH E . DA 5 HOH 77 335 335 HOH HOH E . DA 5 HOH 78 337 337 HOH HOH E . DA 5 HOH 79 343 343 HOH HOH E . DA 5 HOH 80 348 348 HOH HOH E . DA 5 HOH 81 355 355 HOH HOH E . DA 5 HOH 82 357 357 HOH HOH E . DA 5 HOH 83 362 362 HOH HOH E . DA 5 HOH 84 365 365 HOH HOH E . DA 5 HOH 85 368 368 HOH HOH E . DA 5 HOH 86 370 370 HOH HOH E . DA 5 HOH 87 371 371 HOH HOH E . DA 5 HOH 88 403 403 HOH HOH E . DA 5 HOH 89 405 405 HOH HOH E . DA 5 HOH 90 406 406 HOH HOH E . DA 5 HOH 91 565 565 HOH HOH E . DA 5 HOH 92 568 568 HOH HOH E . DA 5 HOH 93 569 569 HOH HOH E . DA 5 HOH 94 570 570 HOH HOH E . DA 5 HOH 95 571 571 HOH HOH E . DA 5 HOH 96 572 572 HOH HOH E . DA 5 HOH 97 573 573 HOH HOH E . DA 5 HOH 98 574 574 HOH HOH E . DA 5 HOH 99 575 575 HOH HOH E . DA 5 HOH 100 576 576 HOH HOH E . DA 5 HOH 101 577 577 HOH HOH E . DA 5 HOH 102 578 578 HOH HOH E . DA 5 HOH 103 579 579 HOH HOH E . DA 5 HOH 104 580 580 HOH HOH E . DA 5 HOH 105 581 581 HOH HOH E . DA 5 HOH 106 582 582 HOH HOH E . DA 5 HOH 107 583 583 HOH HOH E . DA 5 HOH 108 584 584 HOH HOH E . DA 5 HOH 109 585 585 HOH HOH E . DA 5 HOH 110 586 586 HOH HOH E . DA 5 HOH 111 587 587 HOH HOH E . DA 5 HOH 112 588 588 HOH HOH E . DA 5 HOH 113 589 589 HOH HOH E . DA 5 HOH 114 590 590 HOH HOH E . DA 5 HOH 115 591 591 HOH HOH E . DA 5 HOH 116 592 592 HOH HOH E . DA 5 HOH 117 593 593 HOH HOH E . DA 5 HOH 118 594 594 HOH HOH E . DA 5 HOH 119 595 595 HOH HOH E . DA 5 HOH 120 596 596 HOH HOH E . DA 5 HOH 121 597 597 HOH HOH E . DA 5 HOH 122 598 598 HOH HOH E . DA 5 HOH 123 599 599 HOH HOH E . DA 5 HOH 124 600 600 HOH HOH E . DA 5 HOH 125 601 601 HOH HOH E . DA 5 HOH 126 602 602 HOH HOH E . DA 5 HOH 127 603 603 HOH HOH E . DA 5 HOH 128 604 604 HOH HOH E . DA 5 HOH 129 611 611 HOH HOH E . DA 5 HOH 130 616 616 HOH HOH E . DA 5 HOH 131 622 622 HOH HOH E . DA 5 HOH 132 623 623 HOH HOH E . DA 5 HOH 133 626 626 HOH HOH E . DA 5 HOH 134 627 627 HOH HOH E . DA 5 HOH 135 632 632 HOH HOH E . DA 5 HOH 136 633 633 HOH HOH E . DA 5 HOH 137 634 634 HOH HOH E . DA 5 HOH 138 649 649 HOH HOH E . DA 5 HOH 139 651 651 HOH HOH E . DA 5 HOH 140 652 652 HOH HOH E . DA 5 HOH 141 653 653 HOH HOH E . DA 5 HOH 142 655 655 HOH HOH E . DA 5 HOH 143 659 659 HOH HOH E . DA 5 HOH 144 661 661 HOH HOH E . DA 5 HOH 145 664 664 HOH HOH E . DA 5 HOH 146 666 666 HOH HOH E . DA 5 HOH 147 672 672 HOH HOH E . DA 5 HOH 148 673 673 HOH HOH E . DA 5 HOH 149 676 676 HOH HOH E . DA 5 HOH 150 677 677 HOH HOH E . DA 5 HOH 151 681 681 HOH HOH E . DA 5 HOH 152 683 683 HOH HOH E . DA 5 HOH 153 686 686 HOH HOH E . DA 5 HOH 154 690 690 HOH HOH E . DA 5 HOH 155 693 693 HOH HOH E . DA 5 HOH 156 694 694 HOH HOH E . DA 5 HOH 157 699 699 HOH HOH E . DA 5 HOH 158 702 702 HOH HOH E . DA 5 HOH 159 704 704 HOH HOH E . DA 5 HOH 160 707 707 HOH HOH E . DA 5 HOH 161 708 708 HOH HOH E . DA 5 HOH 162 714 714 HOH HOH E . DA 5 HOH 163 719 719 HOH HOH E . DA 5 HOH 164 720 720 HOH HOH E . DA 5 HOH 165 721 721 HOH HOH E . DA 5 HOH 166 727 727 HOH HOH E . DA 5 HOH 167 728 728 HOH HOH E . DA 5 HOH 168 729 729 HOH HOH E . DA 5 HOH 169 730 730 HOH HOH E . DA 5 HOH 170 736 736 HOH HOH E . DA 5 HOH 171 744 744 HOH HOH E . DA 5 HOH 172 747 747 HOH HOH E . DA 5 HOH 173 754 754 HOH HOH E . DA 5 HOH 174 755 755 HOH HOH E . DA 5 HOH 175 767 767 HOH HOH E . DA 5 HOH 176 770 770 HOH HOH E . DA 5 HOH 177 773 773 HOH HOH E . DA 5 HOH 178 775 775 HOH HOH E . DA 5 HOH 179 776 776 HOH HOH E . DA 5 HOH 180 778 778 HOH HOH E . DA 5 HOH 181 779 779 HOH HOH E . DA 5 HOH 182 781 781 HOH HOH E . DA 5 HOH 183 783 783 HOH HOH E . DA 5 HOH 184 785 785 HOH HOH E . DA 5 HOH 185 796 796 HOH HOH E . DA 5 HOH 186 798 798 HOH HOH E . DA 5 HOH 187 801 801 HOH HOH E . DA 5 HOH 188 805 805 HOH HOH E . DA 5 HOH 189 806 806 HOH HOH E . DA 5 HOH 190 808 808 HOH HOH E . DA 5 HOH 191 809 809 HOH HOH E . DA 5 HOH 192 811 811 HOH HOH E . DA 5 HOH 193 813 813 HOH HOH E . DA 5 HOH 194 814 814 HOH HOH E . DA 5 HOH 195 818 818 HOH HOH E . DA 5 HOH 196 831 831 HOH HOH E . DA 5 HOH 197 835 835 HOH HOH E . DA 5 HOH 198 836 836 HOH HOH E . DA 5 HOH 199 888 888 HOH HOH E . DA 5 HOH 200 889 889 HOH HOH E . DA 5 HOH 201 890 890 HOH HOH E . DA 5 HOH 202 892 892 HOH HOH E . DA 5 HOH 203 893 893 HOH HOH E . DA 5 HOH 204 894 894 HOH HOH E . DA 5 HOH 205 895 895 HOH HOH E . DA 5 HOH 206 896 896 HOH HOH E . DA 5 HOH 207 898 898 HOH HOH E . DA 5 HOH 208 899 899 HOH HOH E . DA 5 HOH 209 900 900 HOH HOH E . DA 5 HOH 210 901 901 HOH HOH E . DA 5 HOH 211 902 902 HOH HOH E . DA 5 HOH 212 903 903 HOH HOH E . DA 5 HOH 213 904 904 HOH HOH E . DA 5 HOH 214 909 909 HOH HOH E . DA 5 HOH 215 926 926 HOH HOH E . DA 5 HOH 216 929 929 HOH HOH E . DA 5 HOH 217 944 944 HOH HOH E . DA 5 HOH 218 950 950 HOH HOH E . DA 5 HOH 219 953 953 HOH HOH E . DA 5 HOH 220 959 959 HOH HOH E . DA 5 HOH 221 962 962 HOH HOH E . DA 5 HOH 222 970 970 HOH HOH E . DA 5 HOH 223 971 971 HOH HOH E . DA 5 HOH 224 981 981 HOH HOH E . DA 5 HOH 225 983 983 HOH HOH E . DA 5 HOH 226 990 990 HOH HOH E . DA 5 HOH 227 999 999 HOH HOH E . DA 5 HOH 228 1016 1016 HOH HOH E . DA 5 HOH 229 1188 1188 HOH HOH E . DA 5 HOH 230 1193 1193 HOH HOH E . DA 5 HOH 231 1196 1196 HOH HOH E . DA 5 HOH 232 1197 1197 HOH HOH E . DA 5 HOH 233 1198 1198 HOH HOH E . DA 5 HOH 234 1199 1199 HOH HOH E . DA 5 HOH 235 1200 1200 HOH HOH E . DA 5 HOH 236 1207 1207 HOH HOH E . DA 5 HOH 237 1210 1210 HOH HOH E . DA 5 HOH 238 1211 1211 HOH HOH E . DA 5 HOH 239 1212 1212 HOH HOH E . DA 5 HOH 240 1213 1213 HOH HOH E . DA 5 HOH 241 1214 1214 HOH HOH E . DA 5 HOH 242 1215 1215 HOH HOH E . DA 5 HOH 243 1216 1216 HOH HOH E . DA 5 HOH 244 1218 1218 HOH HOH E . DA 5 HOH 245 1220 1220 HOH HOH E . DA 5 HOH 246 1221 1221 HOH HOH E . DA 5 HOH 247 1222 1222 HOH HOH E . DA 5 HOH 248 1223 1223 HOH HOH E . DA 5 HOH 249 1224 1224 HOH HOH E . DA 5 HOH 250 1225 1225 HOH HOH E . DA 5 HOH 251 1226 1226 HOH HOH E . DA 5 HOH 252 1227 1227 HOH HOH E . DA 5 HOH 253 1228 1228 HOH HOH E . DA 5 HOH 254 1229 1229 HOH HOH E . DA 5 HOH 255 1230 1230 HOH HOH E . DA 5 HOH 256 1232 1232 HOH HOH E . DA 5 HOH 257 1233 1233 HOH HOH E . DA 5 HOH 258 1234 1234 HOH HOH E . DA 5 HOH 259 1235 1235 HOH HOH E . DA 5 HOH 260 1236 1236 HOH HOH E . DA 5 HOH 261 1237 1237 HOH HOH E . DA 5 HOH 262 1238 1238 HOH HOH E . DA 5 HOH 263 1239 1239 HOH HOH E . DA 5 HOH 264 1240 1240 HOH HOH E . DA 5 HOH 265 1241 1241 HOH HOH E . DA 5 HOH 266 1242 1242 HOH HOH E . DA 5 HOH 267 1243 1243 HOH HOH E . DA 5 HOH 268 1244 1244 HOH HOH E . DA 5 HOH 269 1245 1245 HOH HOH E . DA 5 HOH 270 1246 1246 HOH HOH E . DA 5 HOH 271 1247 1247 HOH HOH E . DA 5 HOH 272 1248 1248 HOH HOH E . DA 5 HOH 273 1249 1249 HOH HOH E . DA 5 HOH 274 1250 1250 HOH HOH E . DA 5 HOH 275 1251 1251 HOH HOH E . DA 5 HOH 276 1252 1252 HOH HOH E . DA 5 HOH 277 1253 1253 HOH HOH E . DA 5 HOH 278 1254 1254 HOH HOH E . DA 5 HOH 279 1255 1255 HOH HOH E . DA 5 HOH 280 1256 1256 HOH HOH E . DA 5 HOH 281 1257 1257 HOH HOH E . DA 5 HOH 282 1258 1258 HOH HOH E . DA 5 HOH 283 1259 1259 HOH HOH E . DA 5 HOH 284 1260 1260 HOH HOH E . DA 5 HOH 285 1261 1261 HOH HOH E . DA 5 HOH 286 1262 1262 HOH HOH E . DA 5 HOH 287 1263 1263 HOH HOH E . DA 5 HOH 288 1264 1264 HOH HOH E . DA 5 HOH 289 1265 1265 HOH HOH E . DA 5 HOH 290 1351 1351 HOH HOH E . DA 5 HOH 291 1352 1352 HOH HOH E . DA 5 HOH 292 1353 1353 HOH HOH E . DA 5 HOH 293 1355 1355 HOH HOH E . DA 5 HOH 294 1356 1356 HOH HOH E . DA 5 HOH 295 1357 1357 HOH HOH E . DA 5 HOH 296 1359 1359 HOH HOH E . DA 5 HOH 297 1361 1361 HOH HOH E . DA 5 HOH 298 1362 1362 HOH HOH E . DA 5 HOH 299 1375 1375 HOH HOH E . DA 5 HOH 300 1381 1381 HOH HOH E . DA 5 HOH 301 1384 1384 HOH HOH E . DA 5 HOH 302 1389 1389 HOH HOH E . DA 5 HOH 303 1392 1392 HOH HOH E . DA 5 HOH 304 1409 1409 HOH HOH E . DA 5 HOH 305 1413 1413 HOH HOH E . DA 5 HOH 306 1417 1417 HOH HOH E . DA 5 HOH 307 1419 1419 HOH HOH E . DA 5 HOH 308 1421 1421 HOH HOH E . DA 5 HOH 309 1423 1423 HOH HOH E . DA 5 HOH 310 1424 1424 HOH HOH E . DA 5 HOH 311 1426 1426 HOH HOH E . DA 5 HOH 312 1430 1430 HOH HOH E . DA 5 HOH 313 1431 1431 HOH HOH E . DA 5 HOH 314 1433 1433 HOH HOH E . DA 5 HOH 315 1436 1436 HOH HOH E . DA 5 HOH 316 1439 1439 HOH HOH E . DA 5 HOH 317 1449 1449 HOH HOH E . DA 5 HOH 318 1455 1455 HOH HOH E . DA 5 HOH 319 1461 1461 HOH HOH E . DA 5 HOH 320 1466 1466 HOH HOH E . DA 5 HOH 321 1472 1472 HOH HOH E . DA 5 HOH 322 1531 1531 HOH HOH E . DA 5 HOH 323 1532 1532 HOH HOH E . DA 5 HOH 324 1534 1534 HOH HOH E . DA 5 HOH 325 1536 1536 HOH HOH E . DA 5 HOH 326 1537 1537 HOH HOH E . # loop_ _pdbx_struct_mod_residue.id _pdbx_struct_mod_residue.label_asym_id _pdbx_struct_mod_residue.label_comp_id _pdbx_struct_mod_residue.label_seq_id _pdbx_struct_mod_residue.auth_asym_id _pdbx_struct_mod_residue.auth_comp_id _pdbx_struct_mod_residue.auth_seq_id _pdbx_struct_mod_residue.PDB_ins_code _pdbx_struct_mod_residue.parent_comp_id _pdbx_struct_mod_residue.details 1 C ASN 32 C ASN 32 ? ASN 'GLYCOSYLATION SITE' 2 D ASN 32 D ASN 32 ? ASN 'GLYCOSYLATION SITE' 3 A ASN 32 A ASN 32 ? ASN 'GLYCOSYLATION SITE' 4 E ASN 32 E ASN 32 ? ASN 'GLYCOSYLATION SITE' 5 B ASN 32 B ASN 32 ? ASN 'GLYCOSYLATION SITE' # _pdbx_struct_assembly.id 1 _pdbx_struct_assembly.details author_and_software_defined_assembly _pdbx_struct_assembly.method_details PISA _pdbx_struct_assembly.oligomeric_details pentameric _pdbx_struct_assembly.oligomeric_count 5 # _pdbx_struct_assembly_gen.assembly_id 1 _pdbx_struct_assembly_gen.oper_expression 1 _pdbx_struct_assembly_gen.asym_id_list A,B,C,D,E,F,G,H,I,J,K,L,M,N,O,P,Q,R,S,T,U,V,W,X,Y,Z,AA,BA,CA,DA # loop_ _pdbx_struct_assembly_prop.biol_id _pdbx_struct_assembly_prop.type _pdbx_struct_assembly_prop.value _pdbx_struct_assembly_prop.details 1 'ABSA (A^2)' 11280 ? 1 MORE -136 ? 1 'SSA (A^2)' 38220 ? # _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 O1 ? R OPE . ? D OPE 3700 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 93.1 ? 2 O1 ? R OPE . ? D OPE 3700 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 91.3 ? 3 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 87.1 ? 4 O1 ? R OPE . ? D OPE 3700 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 235 ? 1_555 86.5 ? 5 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 235 ? 1_555 166.4 ? 6 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 235 ? 1_555 79.3 ? 7 O1 ? R OPE . ? D OPE 3700 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 230 ? 1_555 177.9 ? 8 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 230 ? 1_555 84.8 ? 9 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 230 ? 1_555 88.8 ? 10 O ? CA HOH . ? D HOH 235 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 O ? CA HOH . ? D HOH 230 ? 1_555 95.6 ? 11 O1 ? R OPE . ? D OPE 3700 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 103.9 ? 12 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 118.0 ? 13 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 149.2 ? 14 O ? CA HOH . ? D HOH 235 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 75.2 ? 15 O ? CA HOH . ? D HOH 230 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 77.1 ? 16 O1 ? R OPE . ? D OPE 3700 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 89.6 ? 17 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 70.7 ? 18 OE1 ? D GLN 148 ? D GLN 148 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 157.8 ? 19 O ? CA HOH . ? D HOH 235 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 122.9 ? 20 O ? CA HOH . ? D HOH 230 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 89.5 ? 21 OD2 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? S CA . ? D CA 205 ? 1_555 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 50.8 ? 22 O2 ? J OPE . ? B OPE 1700 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 91.3 ? 23 O2 ? J OPE . ? B OPE 1700 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 91.9 ? 24 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 85.8 ? 25 O2 ? J OPE . ? B OPE 1700 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 232 ? 1_555 85.9 ? 26 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 232 ? 1_555 163.9 ? 27 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 232 ? 1_555 78.4 ? 28 O2 ? J OPE . ? B OPE 1700 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 234 ? 1_555 177.5 ? 29 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 234 ? 1_555 86.2 ? 30 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 234 ? 1_555 87.7 ? 31 O ? AA HOH . ? B HOH 232 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 O ? AA HOH . ? B HOH 234 ? 1_555 96.4 ? 32 O2 ? J OPE . ? B OPE 1700 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 105.5 ? 33 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 119.7 ? 34 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 147.9 ? 35 O ? AA HOH . ? B HOH 232 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 76.3 ? 36 O ? AA HOH . ? B HOH 234 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 76.0 ? 37 O2 ? J OPE . ? B OPE 1700 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 90.1 ? 38 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 71.4 ? 39 OE1 ? B GLN 148 ? B GLN 148 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 157.2 ? 40 O ? AA HOH . ? B HOH 232 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 124.5 ? 41 O ? AA HOH . ? B HOH 234 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 89.4 ? 42 OD2 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? M CA . ? B CA 206 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 51.7 ? 43 O2 ? V OPE . ? E OPE 4700 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 92.5 ? 44 O2 ? V OPE . ? E OPE 4700 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 92.5 ? 45 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 86.2 ? 46 O2 ? V OPE . ? E OPE 4700 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 226 ? 1_555 179.5 ? 47 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 226 ? 1_555 87.6 ? 48 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 226 ? 1_555 87.1 ? 49 O2 ? V OPE . ? E OPE 4700 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 225 ? 1_555 84.1 ? 50 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 225 ? 1_555 162.6 ? 51 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 225 ? 1_555 76.9 ? 52 O ? DA HOH . ? E HOH 226 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 O ? DA HOH . ? E HOH 225 ? 1_555 95.7 ? 53 O2 ? V OPE . ? E OPE 4700 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 90.6 ? 54 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 73.1 ? 55 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 159.2 ? 56 O ? DA HOH . ? E HOH 226 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 89.9 ? 57 O ? DA HOH . ? E HOH 225 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 123.9 ? 58 O2 ? V OPE . ? E OPE 4700 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 105.7 ? 59 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 120.8 ? 60 OE1 ? E GLN 148 ? E GLN 148 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 145.8 ? 61 O ? DA HOH . ? E HOH 226 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 74.6 ? 62 O ? DA HOH . ? E HOH 225 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 76.4 ? 63 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? W CA . ? E CA 205 ? 1_555 OD2 ? E ASP 138 ? E ASP 138 ? 1_555 51.5 ? 64 O1 ? F OPE . ? A OPE 700 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 97.8 ? 65 O1 ? F OPE . ? A OPE 700 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 93.1 ? 66 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 83.7 ? 67 O1 ? F OPE . ? A OPE 700 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 227 ? 1_555 79.9 ? 68 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 227 ? 1_555 163.9 ? 69 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 227 ? 1_555 80.5 ? 70 O1 ? F OPE . ? A OPE 700 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 226 ? 1_555 174.8 ? 71 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 226 ? 1_555 87.3 ? 72 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 226 ? 1_555 86.8 ? 73 O ? Z HOH . ? A HOH 227 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 O ? Z HOH . ? A HOH 226 ? 1_555 94.9 ? 74 O1 ? F OPE . ? A OPE 700 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 99.7 ? 75 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 120.9 ? 76 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 149.9 ? 77 O ? Z HOH . ? A HOH 227 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 75.1 ? 78 O ? Z HOH . ? A HOH 226 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 78.0 ? 79 O1 ? F OPE . ? A OPE 700 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 91.1 ? 80 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 72.6 ? 81 OE1 ? A GLN 148 ? A GLN 148 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 156.3 ? 82 O ? Z HOH . ? A HOH 227 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 123.3 ? 83 O ? Z HOH . ? A HOH 226 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 91.1 ? 84 OD2 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? G CA . ? A CA 205 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 51.2 ? 85 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 85.9 ? 86 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 97.5 ? 87 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 119.8 ? 88 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 83.9 ? 89 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 163.6 ? 90 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 74.5 ? 91 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 158.4 ? 92 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 80.5 ? 93 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 75.2 ? 94 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 O ? B GLN 137 ? B GLN 137 ? 1_555 112.7 ? 95 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 131.2 ? 96 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 100.7 ? 97 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 119.0 ? 98 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 76.7 ? 99 O ? B GLN 137 ? B GLN 137 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 68.3 ? 100 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 81.9 ? 101 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 70.1 ? 102 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 51.3 ? 103 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 120.9 ? 104 O ? B GLN 137 ? B GLN 137 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 77.8 ? 105 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 146.0 ? 106 O1 ? J OPE . ? B OPE 1700 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 81.7 ? 107 OD1 ? B ASP 138 ? B ASP 138 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 87.9 ? 108 OE2 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 152.3 ? 109 OD1 ? B ASN 59 ? B ASN 59 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 77.9 ? 110 O ? B GLN 137 ? B GLN 137 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 114.2 ? 111 OD1 ? B ASP 58 ? B ASP 58 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 50.7 ? 112 OE1 ? B GLU 136 ? B GLU 136 ? 1_555 CA ? K CA . ? B CA 205 ? 1_555 OD2 ? B ASP 58 ? B ASP 58 ? 1_555 153.3 ? 113 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 O1 ? N OPE . ? C OPE 2700 ? 1_555 85.2 ? 114 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 O ? C GLN 137 ? C GLN 137 ? 1_555 80.7 ? 115 O1 ? N OPE . ? C OPE 2700 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 O ? C GLN 137 ? C GLN 137 ? 1_555 158.0 ? 116 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 121.4 ? 117 O1 ? N OPE . ? C OPE 2700 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 97.6 ? 118 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 75.9 ? 119 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 160.8 ? 120 O1 ? N OPE . ? C OPE 2700 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 82.3 ? 121 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 115.2 ? 122 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 74.9 ? 123 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 98.1 ? 124 O1 ? N OPE . ? C OPE 2700 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 129.1 ? 125 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 70.1 ? 126 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 121.7 ? 127 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 78.8 ? 128 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 70.8 ? 129 O1 ? N OPE . ? C OPE 2700 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 82.9 ? 130 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 76.5 ? 131 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 51.9 ? 132 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 121.7 ? 133 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 146.2 ? 134 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 88.7 ? 135 O1 ? N OPE . ? C OPE 2700 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 81.7 ? 136 O ? C GLN 137 ? C GLN 137 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 114.6 ? 137 OE1 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 149.8 ? 138 OD1 ? C ASN 59 ? C ASN 59 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 75.1 ? 139 OD1 ? C ASP 58 ? C ASP 58 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 47.9 ? 140 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? P CA . ? C CA 206 ? 1_555 OD2 ? C ASP 58 ? C ASP 58 ? 1_555 155.2 ? 141 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 O3 ? R OPE . ? D OPE 3700 ? 1_555 87.5 ? 142 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 165.4 ? 143 O3 ? R OPE . ? D OPE 3700 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 84.1 ? 144 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 120.3 ? 145 O3 ? R OPE . ? D OPE 3700 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 93.6 ? 146 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 72.3 ? 147 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 80.8 ? 148 O3 ? R OPE . ? D OPE 3700 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 156.0 ? 149 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 111.2 ? 150 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 O ? D GLN 137 ? D GLN 137 ? 1_555 74.9 ? 151 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 97.0 ? 152 O3 ? R OPE . ? D OPE 3700 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 130.9 ? 153 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 79.7 ? 154 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 123.9 ? 155 O ? D GLN 137 ? D GLN 137 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 71.6 ? 156 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 70.7 ? 157 O3 ? R OPE . ? D OPE 3700 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 80.7 ? 158 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 119.4 ? 159 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 50.9 ? 160 O ? D GLN 137 ? D GLN 137 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 75.7 ? 161 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 146.6 ? 162 OD1 ? D ASP 138 ? D ASP 138 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 90.9 ? 163 O3 ? R OPE . ? D OPE 3700 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 80.8 ? 164 OD1 ? D ASN 59 ? D ASN 59 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 75.9 ? 165 OE2 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 148.1 ? 166 O ? D GLN 137 ? D GLN 137 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 119.9 ? 167 OD1 ? D ASP 58 ? D ASP 58 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 50.4 ? 168 OE1 ? D GLU 136 ? D GLU 136 ? 1_555 CA ? U CA . ? D CA 206 ? 1_555 OD2 ? D ASP 58 ? D ASP 58 ? 1_555 154.4 ? 169 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 82.6 ? 170 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 97.6 ? 171 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 120.1 ? 172 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 O ? A GLN 137 ? A GLN 137 ? 1_555 155.6 ? 173 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 O ? A GLN 137 ? A GLN 137 ? 1_555 79.6 ? 174 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 O ? A GLN 137 ? A GLN 137 ? 1_555 77.4 ? 175 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 85.7 ? 176 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 162.2 ? 177 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 74.6 ? 178 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 115.1 ? 179 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 131.1 ? 180 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 100.0 ? 181 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 120.9 ? 182 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 69.0 ? 183 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 77.7 ? 184 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 82.6 ? 185 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 85.4 ? 186 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 154.4 ? 187 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 112.2 ? 188 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 79.9 ? 189 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 49.4 ? 190 O3 ? F OPE . ? A OPE 700 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 79.7 ? 191 OD1 ? A ASP 138 ? A ASP 138 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 70.5 ? 192 OE2 ? A GLU 136 ? A GLU 136 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 51.2 ? 193 O ? A GLN 137 ? A GLN 137 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 78.7 ? 194 OD1 ? A ASN 59 ? A ASN 59 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 120.5 ? 195 OD1 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 147.6 ? 196 OD2 ? A ASP 58 ? A ASP 58 ? 1_555 CA ? I CA . ? A CA 206 ? 1_555 OE1 ? A GLU 136 ? A GLU 136 ? 1_555 151.5 ? 197 O2 ? N OPE . ? C OPE 2700 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 93.8 ? 198 O2 ? N OPE . ? C OPE 2700 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 92.6 ? 199 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 84.9 ? 200 O2 ? N OPE . ? C OPE 2700 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 228 ? 1_555 84.2 ? 201 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 228 ? 1_555 164.9 ? 202 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 228 ? 1_555 80.3 ? 203 O2 ? N OPE . ? C OPE 2700 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 250 ? 1_555 178.9 ? 204 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 250 ? 1_555 86.4 ? 205 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 250 ? 1_555 88.4 ? 206 O ? BA HOH . ? C HOH 228 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 O ? BA HOH . ? C HOH 250 ? 1_555 95.8 ? 207 O2 ? N OPE . ? C OPE 2700 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 104.7 ? 208 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 119.1 ? 209 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 148.6 ? 210 O ? BA HOH . ? C HOH 228 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 75.8 ? 211 O ? BA HOH . ? C HOH 250 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 74.3 ? 212 O2 ? N OPE . ? C OPE 2700 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 89.7 ? 213 OE2 ? C GLU 136 ? C GLU 136 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 71.8 ? 214 OE1 ? C GLN 148 ? C GLN 148 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 156.7 ? 215 O ? BA HOH . ? C HOH 228 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 123.0 ? 216 O ? BA HOH . ? C HOH 250 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 89.4 ? 217 OD2 ? C ASP 138 ? C ASP 138 ? 1_555 CA ? O CA . ? C CA 205 ? 1_555 OD1 ? C ASP 138 ? C ASP 138 ? 1_555 51.3 ? 218 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 85.5 ? 219 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 83.1 ? 220 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 163.8 ? 221 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 97.1 ? 222 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 119.7 ? 223 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 73.3 ? 224 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 158.3 ? 225 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 80.7 ? 226 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 113.3 ? 227 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 O ? E GLN 137 ? E GLN 137 ? 1_555 75.6 ? 228 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 130.2 ? 229 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 101.2 ? 230 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 77.7 ? 231 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 119.8 ? 232 O ? E GLN 137 ? E GLN 137 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 69.4 ? 233 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 81.8 ? 234 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 70.3 ? 235 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 119.2 ? 236 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 50.9 ? 237 O ? E GLN 137 ? E GLN 137 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 77.9 ? 238 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 147.2 ? 239 O1 ? V OPE . ? E OPE 4700 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 80.9 ? 240 OD1 ? E ASP 138 ? E ASP 138 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 86.4 ? 241 OD1 ? E ASN 59 ? E ASN 59 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 80.5 ? 242 OE2 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 153.8 ? 243 O ? E GLN 137 ? E GLN 137 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 114.6 ? 244 OD1 ? E ASP 58 ? E ASP 58 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 50.9 ? 245 OE1 ? E GLU 136 ? E GLU 136 ? 1_555 CA ? Y CA . ? E CA 206 ? 1_555 OD2 ? E ASP 58 ? E ASP 58 ? 1_555 151.9 ? # 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 2010-12-08 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' # _pdbx_refine_tls.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls.id 1 _pdbx_refine_tls.details ? _pdbx_refine_tls.method refined _pdbx_refine_tls.origin_x 20.9653 _pdbx_refine_tls.origin_y -0.1275 _pdbx_refine_tls.origin_z 26.3129 _pdbx_refine_tls.T[1][1] 0.0336 _pdbx_refine_tls.T[2][2] 0.0166 _pdbx_refine_tls.T[3][3] 0.0323 _pdbx_refine_tls.T[1][2] 0.0008 _pdbx_refine_tls.T[1][3] 0.0000 _pdbx_refine_tls.T[2][3] -0.0039 _pdbx_refine_tls.L[1][1] 0.0861 _pdbx_refine_tls.L[2][2] 0.0350 _pdbx_refine_tls.L[3][3] 0.0692 _pdbx_refine_tls.L[1][2] 0.0000 _pdbx_refine_tls.L[1][3] 0.0035 _pdbx_refine_tls.L[2][3] -0.0142 _pdbx_refine_tls.S[1][1] 0.0061 _pdbx_refine_tls.S[1][2] -0.0058 _pdbx_refine_tls.S[1][3] -0.0050 _pdbx_refine_tls.S[2][1] -0.0071 _pdbx_refine_tls.S[2][2] -0.0026 _pdbx_refine_tls.S[2][3] 0.0000 _pdbx_refine_tls.S[3][1] -0.0065 _pdbx_refine_tls.S[3][2] -0.0035 _pdbx_refine_tls.S[3][3] -0.0000 # _pdbx_refine_tls_group.pdbx_refine_id 'X-RAY DIFFRACTION' _pdbx_refine_tls_group.id 1 _pdbx_refine_tls_group.refine_tls_id 1 _pdbx_refine_tls_group.beg_auth_asym_id ? _pdbx_refine_tls_group.beg_auth_seq_id ? _pdbx_refine_tls_group.beg_label_asym_id ? _pdbx_refine_tls_group.beg_label_seq_id ? _pdbx_refine_tls_group.end_auth_asym_id ? _pdbx_refine_tls_group.end_auth_seq_id ? _pdbx_refine_tls_group.end_label_asym_id ? _pdbx_refine_tls_group.end_label_seq_id ? _pdbx_refine_tls_group.selection ? _pdbx_refine_tls_group.selection_details all # loop_ _software.pdbx_ordinal _software.name _software.version _software.date _software.type _software.contact_author _software.contact_author_email _software.classification _software.location _software.language _software.citation_id 1 SCALA 3.2.25 21/9/2006 other 'Phil R. Evans' pre@mrc-lmb.cam.ac.uk 'data processing' http://www.ccp4.ac.uk/dist/html/scala.html Fortran_77 ? 2 PHENIX 1.5_2 ? package 'Paul D. Adams' PDAdams@lbl.gov refinement http://www.phenix-online.org/ C++ ? 3 PDB_EXTRACT 3.005 'June 11, 2008' package PDB help@deposit.rcsb.org 'data extraction' http://sw-tools.pdb.org/apps/PDB_EXTRACT/ C++ ? 4 ADSC Quantum ? ? ? ? 'data collection' ? ? ? 5 MOSFLM . ? ? ? ? 'data reduction' ? ? ? 6 SCALA . ? ? ? ? 'data scaling' ? ? ? 7 MOLREP . ? ? ? ? phasing ? ? ? # loop_ _pdbx_validate_rmsd_angle.id _pdbx_validate_rmsd_angle.PDB_model_num _pdbx_validate_rmsd_angle.auth_atom_id_1 _pdbx_validate_rmsd_angle.auth_asym_id_1 _pdbx_validate_rmsd_angle.auth_comp_id_1 _pdbx_validate_rmsd_angle.auth_seq_id_1 _pdbx_validate_rmsd_angle.PDB_ins_code_1 _pdbx_validate_rmsd_angle.label_alt_id_1 _pdbx_validate_rmsd_angle.auth_atom_id_2 _pdbx_validate_rmsd_angle.auth_asym_id_2 _pdbx_validate_rmsd_angle.auth_comp_id_2 _pdbx_validate_rmsd_angle.auth_seq_id_2 _pdbx_validate_rmsd_angle.PDB_ins_code_2 _pdbx_validate_rmsd_angle.label_alt_id_2 _pdbx_validate_rmsd_angle.auth_atom_id_3 _pdbx_validate_rmsd_angle.auth_asym_id_3 _pdbx_validate_rmsd_angle.auth_comp_id_3 _pdbx_validate_rmsd_angle.auth_seq_id_3 _pdbx_validate_rmsd_angle.PDB_ins_code_3 _pdbx_validate_rmsd_angle.label_alt_id_3 _pdbx_validate_rmsd_angle.angle_value _pdbx_validate_rmsd_angle.angle_target_value _pdbx_validate_rmsd_angle.angle_deviation _pdbx_validate_rmsd_angle.angle_standard_deviation _pdbx_validate_rmsd_angle.linker_flag 1 1 CB C ASP 184 ? ? CG C ASP 184 ? ? OD1 C ASP 184 ? ? 124.30 118.30 6.00 0.90 N 2 1 CB C ASP 184 ? ? CG C ASP 184 ? ? OD2 C ASP 184 ? ? 112.73 118.30 -5.57 0.90 N 3 1 OE1 D GLU 126 ? ? CD D GLU 126 ? ? OE2 D GLU 126 ? ? 115.58 123.30 -7.72 1.20 N # loop_ _pdbx_validate_torsion.id _pdbx_validate_torsion.PDB_model_num _pdbx_validate_torsion.auth_comp_id _pdbx_validate_torsion.auth_asym_id _pdbx_validate_torsion.auth_seq_id _pdbx_validate_torsion.PDB_ins_code _pdbx_validate_torsion.label_alt_id _pdbx_validate_torsion.phi _pdbx_validate_torsion.psi 1 1 ARG A 77 ? ? 78.50 -11.08 2 1 ALA A 187 ? ? -159.18 63.63 3 1 THR B 17 ? ? -131.49 -30.70 4 1 ARG B 77 ? ? 74.11 -9.11 5 1 ALA B 187 ? ? -152.75 67.72 6 1 ARG C 77 ? ? 78.82 -15.34 7 1 ASP C 161 ? ? -89.14 31.71 8 1 ALA C 187 ? ? -158.67 69.53 9 1 ARG D 77 ? ? 72.91 -10.41 10 1 ASP D 161 ? ? -86.99 32.39 11 1 ALA D 187 ? ? -153.51 64.39 12 1 ARG E 77 ? ? 80.26 -21.17 13 1 ASP E 161 ? ? -89.57 33.53 14 1 ALA E 187 ? ? -155.26 65.54 # loop_ _pdbx_entity_nonpoly.entity_id _pdbx_entity_nonpoly.name _pdbx_entity_nonpoly.comp_id 2 'PHOSPHORIC ACID MONO-(2-AMINO-ETHYL) ESTER' OPE 3 'CALCIUM ION' CA 4 N-ACETYL-D-GLUCOSAMINE NAG 5 water HOH #