data_SASDAG2_MAIN # _sas_result.id 15 _sas_result.SASBDB_code SASDAG2 _sas_result.experimental_MW 11.000 _sas_result.experimental_MW_error . _sas_result.MW_standard 11.000 _sas_result.MW_standard_error . _sas_result.MW_Porod . _sas_result.MW_Porod_error . _sas_result.I0_from_PR 12.0200000000 _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 12.2900000000 _sas_result.I0_from_Guinier_error . _sas_result.Rg_from_PR 1.430 _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 1.450 _sas_result.Rg_from_Guinier_error . _sas_result.D_max 4.00 _sas_result.Porod_volume 20.70 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 177 _sas_result.Guinier_point_max 294 _sas_result.type_of_curve merged _sas_result.standard BSA _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "Lyz in Sodium Acetate" _sas_scan.detc_id 1 _sas_scan.id 15 _sas_scan.measurement_date 2012-09-21 _sas_scan.storage_temperature 10.0 _sas_scan.cell_temperature 10.0 _sas_scan.exposure_time 15.000 _sas_scan.number_of_frames 8 _sas_scan.unit 1/nm _sas_scan.qmin 0.0871 _sas_scan.qmax 17.6902 _sas_scan.sample_id 9 _sas_scan.result_id 15 _sas_scan.beam_id 1 # _sas_beam.id 1 _sas_beam.instrument_name "DORIS III EMBL X33" _sas_beam.instrument_city Hamburg _sas_beam.instrument_country Germany _sas_beam.shape 0.60 _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.150000 _sas_beam.dist_spec_to_detc 2.70000 # _sas_detc.id 1 _sas_detc.name "Pilatus 1M-W" _sas_detc.type . _sas_detc.pixsize_x 0.172 # _sas_sample.id 9 _sas_sample.name "Lyz in Sodium Acetate" _sas_sample.ext_coefficient 26.530 _sas_sample.contrast 3.047 _sas_sample.specific_vol 0.7402 _sas_sample.purity_method "gel filtration" _sas_sample.dry_vol 19648 _sas_sample.sample_MW 14.30 _sas_sample.specimen_concentration 8.09 _sas_sample.concentration_method nanodrop _sas_sample.entity_id 14 # _sas_buffer.id 4 _sas_buffer.name "40 mM Sodium Acetate" _sas_buffer.concentration 40.00 _sas_buffer.unit mM _sas_buffer.pK . _sas_buffer.pH 3.800 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 9 # _entity.id 14 _entity.type protein _entity.pdbx_description "Lysozyme C" _entity.formula_weight 16.240 _entity.pdbx_number_of_molecules 1 # _entity_name_com.entity_id 14 _entity_name_com.name Lys # _entity_poly.entity_id 14 _entity_poly.pdbx_seq_one_letter_code ;MRSLLILVLCFLPLAALGKVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQA TNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDG NGMNAWVAWRNRCKGTDVQAWIRGCRL ; # _entity_src_gen.entity_id 14 _entity_src_gen.gene_src_common_name "Gallus gallus" # _struct_ref.id 1 _struct_ref.entity_id 14 _struct_ref.db_name UniProt _struct_ref.db_code P00698 _struct_ref.details http://www.uniprot.org/uniprot/P00698 # _pdbx_contact_author.id 5 _pdbx_contact_author.name_first Darja _pdbx_contact_author.name_last Ruskule _pdbx_contact_author.role . _pdbx_contact_author.address_1 EMBL-Hamburg _pdbx_contact_author.address_2 "European Molecular Biology Laboratory (EMBL) - Hamburg outstation" _pdbx_contact_author.address_3 "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany" # loop_ _sas_scan_intensity.id _sas_scan_intensity.momentum_transfer _sas_scan_intensity.intensity _sas_scan_intensity.intensity_su_counting _sas_scan_intensity.scan_id 1 8.712520E-02 4.006800E+00 1.033610E+01 15 2 8.985920E-02 1.203100E+01 3.712970E+00 15 3 9.259320E-02 1.337720E+01 2.943580E+00 15 4 9.532730E-02 1.314940E+01 2.600490E+00 15 5 9.806130E-02 1.147260E+01 2.292550E+00 15 6 1.007950E-01 9.348760E+00 2.065550E+00 15 7 1.035290E-01 1.000240E+01 1.863940E+00 15 8 1.062630E-01 1.058160E+01 1.715140E+00 15 9 1.089980E-01 1.034460E+01 1.532570E+00 15 10 1.117320E-01 1.158220E+01 1.416860E+00 15 11 1.144660E-01 1.198130E+01 1.321560E+00 15 12 1.172000E-01 1.249230E+01 1.218170E+00 15 13 1.199340E-01 1.251920E+01 1.121470E+00 15 14 1.226680E-01 1.140400E+01 1.032170E+00 15 15 1.254020E-01 1.104530E+01 9.672410E-01 15 16 1.281360E-01 1.053930E+01 9.138300E-01 15 17 1.308700E-01 1.100080E+01 8.483870E-01 15 18 1.336040E-01 1.174200E+01 8.039490E-01 15 19 1.363380E-01 1.192280E+01 7.470080E-01 15 20 1.390720E-01 1.127000E+01 7.010230E-01 15 21 1.418060E-01 1.088620E+01 6.566670E-01 15 22 1.445400E-01 1.174860E+01 6.261580E-01 15 23 1.472740E-01 1.120870E+01 5.993260E-01 15 24 1.500080E-01 1.186060E+01 5.612390E-01 15 25 1.527420E-01 1.172880E+01 5.350450E-01 15 26 1.554760E-01 1.164190E+01 5.020950E-01 15 27 1.582100E-01 1.160980E+01 4.829370E-01 15 28 1.609440E-01 1.170900E+01 4.572480E-01 15 29 1.636780E-01 1.139590E+01 4.388060E-01 15 30 1.664120E-01 1.160990E+01 4.181170E-01 15 31 1.691460E-01 1.142490E+01 3.983260E-01 15 32 1.718810E-01 1.176160E+01 3.837560E-01 15 33 1.746150E-01 1.155700E+01 3.655710E-01 15 34 1.773490E-01 1.144860E+01 3.497330E-01 15 35 1.800830E-01 1.154990E+01 3.332490E-01 15 36 1.828170E-01 1.147410E+01 3.244150E-01 15 37 1.855510E-01 1.150110E+01 3.133400E-01 15 38 1.882850E-01 1.139730E+01 2.968380E-01 15 39 1.910190E-01 1.142720E+01 2.854650E-01 15 40 1.937530E-01 1.105840E+01 2.773890E-01 15 41 1.964870E-01 1.143700E+01 2.687800E-01 15 42 1.992210E-01 1.149830E+01 2.616170E-01 15 43 2.019550E-01 1.151350E+01 2.469170E-01 15 44 2.046890E-01 1.134380E+01 2.421140E-01 15 45 2.074230E-01 1.109110E+01 2.350440E-01 15 46 2.101570E-01 1.133990E+01 2.316530E-01 15 47 2.128910E-01 1.136150E+01 2.248750E-01 15 48 2.156250E-01 1.125750E+01 2.175860E-01 15 49 2.183590E-01 1.127250E+01 2.158410E-01 15 50 2.210930E-01 1.147470E+01 2.085490E-01 15 51 2.238270E-01 1.138070E+01 2.041180E-01 15 52 2.265610E-01 1.113080E+01 1.997540E-01 15 53 2.292950E-01 1.111190E+01 1.947490E-01 15 54 2.320290E-01 1.139950E+01 1.943450E-01 15 55 2.347640E-01 1.135490E+01 1.864060E-01 15 56 2.374980E-01 1.136930E+01 1.868200E-01 15 57 2.402320E-01 1.133440E+01 1.816200E-01 15 58 2.429660E-01 1.139550E+01 1.787200E-01 15 59 2.457000E-01 1.130520E+01 1.763430E-01 15 60 2.484340E-01 1.128460E+01 1.685680E-01 15 61 2.511680E-01 1.124600E+01 1.689260E-01 15 62 2.539020E-01 1.120310E+01 1.653860E-01 15 63 2.566360E-01 1.123820E+01 1.617480E-01 15 64 2.593700E-01 1.115810E+01 1.581310E-01 15 65 2.621040E-01 1.108270E+01 1.535130E-01 15 66 2.648380E-01 1.119010E+01 1.543370E-01 15 67 2.675720E-01 1.111490E+01 1.501340E-01 15 68 2.703060E-01 1.116000E+01 1.474200E-01 15 69 2.730400E-01 1.115980E+01 1.455330E-01 15 70 2.757740E-01 1.116270E+01 1.412240E-01 15 71 2.785080E-01 1.121640E+01 1.426310E-01 15 72 2.812420E-01 1.129890E+01 1.383000E-01 15 73 2.839760E-01 1.135650E+01 1.378050E-01 15 74 2.867100E-01 1.131640E+01 1.366620E-01 15 75 2.894440E-01 1.105170E+01 1.326170E-01 15 76 2.921780E-01 1.109060E+01 1.318070E-01 15 77 2.949120E-01 1.114390E+01 1.297060E-01 15 78 2.976470E-01 1.103430E+01 1.283270E-01 15 79 3.003810E-01 1.115720E+01 1.280400E-01 15 80 3.031150E-01 1.104930E+01 1.258110E-01 15 81 3.058490E-01 1.113030E+01 1.239910E-01 15 82 3.085830E-01 1.096780E+01 1.222100E-01 15 83 3.113170E-01 1.090350E+01 1.207330E-01 15 84 3.140510E-01 1.084190E+01 1.197770E-01 15 85 3.167850E-01 1.088000E+01 1.172150E-01 15 86 3.195190E-01 1.088890E+01 1.174250E-01 15 87 3.222530E-01 1.082260E+01 1.168040E-01 15 88 3.249870E-01 1.100890E+01 1.158500E-01 15 89 3.277210E-01 1.096270E+01 1.137210E-01 15 90 3.304550E-01 1.085900E+01 1.127290E-01 15 91 3.331890E-01 1.093470E+01 1.132040E-01 15 92 3.359230E-01 1.087560E+01 1.125400E-01 15 93 3.386570E-01 1.090620E+01 1.105070E-01 15 94 3.413910E-01 1.094290E+01 1.084860E-01 15 95 3.441250E-01 1.077490E+01 1.086480E-01 15 96 3.468590E-01 1.072010E+01 1.080660E-01 15 97 3.495930E-01 1.080560E+01 1.088920E-01 15 98 3.523270E-01 1.085480E+01 1.064590E-01 15 99 3.550610E-01 1.073970E+01 1.053300E-01 15 100 3.577950E-01 1.075830E+01 1.057890E-01 15 101 3.605300E-01 1.086500E+01 1.062150E-01 15 102 3.632640E-01 1.083410E+01 1.054590E-01 15 103 3.659980E-01 1.074920E+01 1.035620E-01 15 104 3.687320E-01 1.073940E+01 1.039090E-01 15 105 3.714660E-01 1.074770E+01 1.047430E-01 15 106 3.742000E-01 1.068920E+01 1.021310E-01 15 107 3.769340E-01 1.065940E+01 1.026710E-01 15 108 3.796680E-01 1.066820E+01 1.025350E-01 15 109 3.824020E-01 1.065430E+01 1.022260E-01 15 110 3.851360E-01 1.078410E+01 1.027580E-01 15 111 3.878700E-01 1.063500E+01 1.006120E-01 15 112 3.906040E-01 1.059980E+01 1.014010E-01 15 113 3.933380E-01 1.063720E+01 1.005680E-01 15 114 3.960720E-01 1.058960E+01 1.002880E-01 15 115 3.988060E-01 1.061720E+01 9.939280E-02 15 116 4.015400E-01 1.066000E+01 1.005000E-01 15 117 4.042740E-01 1.061500E+01 1.006100E-01 15 118 4.070080E-01 1.051910E+01 9.904030E-02 15 119 4.097420E-01 1.056520E+01 9.836890E-02 15 120 4.124760E-01 1.053550E+01 9.797010E-02 15 121 4.152100E-01 1.048980E+01 9.850970E-02 15 122 4.179440E-01 1.040850E+01 9.859350E-02 15 123 4.206780E-01 1.036710E+01 9.686950E-02 15 124 4.234130E-01 1.032650E+01 9.741760E-02 15 125 4.261470E-01 1.035270E+01 9.566250E-02 15 126 4.288810E-01 1.037440E+01 9.688600E-02 15 127 4.316150E-01 1.038600E+01 9.682610E-02 15 128 4.343490E-01 1.035230E+01 9.569020E-02 15 129 4.370830E-01 1.039150E+01 9.668930E-02 15 130 4.398170E-01 1.035770E+01 9.556090E-02 15 131 4.425510E-01 1.029510E+01 9.543060E-02 15 132 4.452850E-01 1.031700E+01 9.437320E-02 15 133 4.480190E-01 1.028670E+01 9.493320E-02 15 134 4.507530E-01 1.017610E+01 9.499390E-02 15 135 4.534870E-01 1.020210E+01 9.405640E-02 15 136 4.562210E-01 1.019830E+01 9.440310E-02 15 137 4.589550E-01 1.016090E+01 9.287510E-02 15 138 4.616890E-01 1.015270E+01 9.376620E-02 15 139 4.644230E-01 1.021310E+01 9.381160E-02 15 140 4.671570E-01 1.012590E+01 9.220210E-02 15 141 4.698910E-01 1.003500E+01 9.302420E-02 15 142 4.726250E-01 1.007240E+01 9.224920E-02 15 143 4.753590E-01 1.014470E+01 9.277210E-02 15 144 4.780930E-01 1.008240E+01 9.159630E-02 15 145 4.808270E-01 1.008860E+01 9.164870E-02 15 146 4.835610E-01 1.010350E+01 9.263820E-02 15 147 4.862960E-01 1.003980E+01 9.140370E-02 15 148 4.890300E-01 1.001930E+01 9.169080E-02 15 149 4.917640E-01 1.000250E+01 9.073580E-02 15 150 4.944980E-01 1.000430E+01 9.049820E-02 15 151 4.972320E-01 9.986770E+00 9.088240E-02 15 152 4.999660E-01 9.905010E+00 9.008270E-02 15 153 5.027000E-01 9.914520E+00 8.956390E-02 15 154 5.054340E-01 9.967880E+00 9.002140E-02 15 155 5.081680E-01 9.955190E+00 9.045660E-02 15 156 5.109020E-01 9.986210E+00 9.066040E-02 15 157 5.136360E-01 9.949020E+00 8.958750E-02 15 158 5.163700E-01 1.002490E+01 9.037570E-02 15 159 5.191040E-01 9.995540E+00 9.018990E-02 15 160 5.218380E-01 9.940790E+00 9.024340E-02 15 161 5.245720E-01 9.954360E+00 8.984730E-02 15 162 5.273060E-01 9.912380E+00 8.911610E-02 15 163 5.300400E-01 9.912600E+00 8.952370E-02 15 164 5.327740E-01 9.803830E+00 8.816520E-02 15 165 5.355080E-01 9.919360E+00 8.912590E-02 15 166 5.382420E-01 9.880800E+00 8.939430E-02 15 167 5.409760E-01 9.969190E+00 8.902500E-02 15 168 5.437100E-01 9.801410E+00 8.868030E-02 15 169 5.464450E-01 9.733510E+00 8.780510E-02 15 170 5.491790E-01 9.790310E+00 8.795790E-02 15 171 5.519130E-01 9.734630E+00 8.742650E-02 15 172 5.546470E-01 9.677830E+00 8.780980E-02 15 173 5.573810E-01 9.734730E+00 8.783030E-02 15 174 5.601150E-01 9.703780E+00 8.645280E-02 15 175 5.628490E-01 9.670740E+00 8.664180E-02 15 176 5.655830E-01 9.669860E+00 8.702810E-02 15 177 5.683170E-01 9.696400E+00 8.748830E-02 15 178 5.710510E-01 9.642090E+00 8.619490E-02 15 179 5.737850E-01 9.642010E+00 8.604520E-02 15 180 5.765190E-01 9.609380E+00 8.620270E-02 15 181 5.792530E-01 9.588300E+00 8.635810E-02 15 182 5.819870E-01 9.632570E+00 8.576580E-02 15 183 5.847210E-01 9.620830E+00 8.630990E-02 15 184 5.874550E-01 9.676970E+00 8.628460E-02 15 185 5.901890E-01 9.539860E+00 8.550790E-02 15 186 5.929230E-01 9.494860E+00 8.596680E-02 15 187 5.956570E-01 9.533470E+00 8.506550E-02 15 188 5.983910E-01 9.494950E+00 8.493080E-02 15 189 6.011250E-01 9.480700E+00 8.520340E-02 15 190 6.038590E-01 9.539710E+00 8.497620E-02 15 191 6.065930E-01 9.553880E+00 8.458200E-02 15 192 6.093280E-01 9.478570E+00 8.491930E-02 15 193 6.120620E-01 9.397660E+00 8.437670E-02 15 194 6.147960E-01 9.383840E+00 8.459530E-02 15 195 6.175300E-01 9.374850E+00 8.381200E-02 15 196 6.202640E-01 9.384340E+00 8.444250E-02 15 197 6.229980E-01 9.303100E+00 8.390440E-02 15 198 6.257320E-01 9.281720E+00 8.368620E-02 15 199 6.284660E-01 9.361390E+00 8.315440E-02 15 200 6.312000E-01 9.316950E+00 8.294060E-02 15 201 6.339340E-01 9.220280E+00 8.359270E-02 15 202 6.366680E-01 9.191810E+00 8.281480E-02 15 203 6.394020E-01 9.066020E+00 8.223240E-02 15 204 6.421360E-01 9.048780E+00 8.166520E-02 15 205 6.448700E-01 9.164080E+00 8.225820E-02 15 206 6.476040E-01 9.090620E+00 8.280160E-02 15 207 6.503380E-01 9.110980E+00 8.224010E-02 15 208 6.530720E-01 9.048980E+00 8.134600E-02 15 209 6.558060E-01 9.026960E+00 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5.232600E+00 1.159180E-01 3.195790E-02 15 1883 5.235330E+00 1.116800E-01 3.191940E-02 15 1884 5.238060E+00 1.205390E-01 3.187140E-02 15 1885 5.240800E+00 1.154580E-01 3.200750E-02 15 1886 5.243530E+00 1.281650E-01 3.176650E-02 15 1887 5.246270E+00 1.249870E-01 3.196530E-02 15 1888 5.249000E+00 1.137240E-01 3.199260E-02 15 1889 5.251730E+00 1.039880E-01 3.183930E-02 15 1890 5.254470E+00 1.078520E-01 3.196570E-02 15 1891 5.257200E+00 9.210900E-02 3.182950E-02 15 1892 5.259940E+00 8.570070E-02 3.189810E-02 15 1893 5.262670E+00 9.999910E-02 3.192810E-02 15 1894 5.265400E+00 1.022610E-01 3.179110E-02 15 1895 5.268140E+00 9.340120E-02 3.190780E-02 15 1896 5.270870E+00 8.287380E-02 3.174140E-02 15 1897 5.273610E+00 8.871490E-02 3.184810E-02 15 1898 5.276340E+00 1.244360E-01 3.188170E-02 15 1899 5.279070E+00 9.008380E-02 3.178820E-02 15 1900 5.281810E+00 1.018920E-01 3.199560E-02 15 1901 5.284540E+00 9.911360E-02 3.200090E-02 15 1902 5.287280E+00 9.984310E-02 3.423780E-02 15 1903 5.290010E+00 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3.266690E-02 15 1925 5.350160E+00 9.677160E-02 3.246170E-02 15 1926 5.352890E+00 9.140500E-02 3.228720E-02 15 1927 5.355630E+00 1.158610E-01 3.226000E-02 15 1928 5.358360E+00 1.181060E-01 3.202760E-02 15 1929 5.361100E+00 9.019490E-02 3.195630E-02 15 1930 5.363830E+00 7.771400E-02 3.196390E-02 15 1931 5.366560E+00 9.003080E-02 3.175820E-02 15 1932 5.369300E+00 8.657640E-02 3.187720E-02 15 1933 5.372030E+00 8.669880E-02 3.176660E-02 15 1934 5.374770E+00 1.120100E-01 3.182860E-02 15 1935 5.377500E+00 1.228510E-01 3.178520E-02 15 1936 5.380230E+00 1.323570E-01 3.166450E-02 15 1937 5.382970E+00 1.454530E-01 3.188750E-02 15 1938 5.385700E+00 1.412260E-01 3.174870E-02 15 1939 5.388440E+00 1.201800E-01 3.178430E-02 15 1940 5.391170E+00 1.315020E-01 3.175850E-02 15 1941 5.393900E+00 1.047710E-01 3.171760E-02 15 1942 5.396640E+00 1.120700E-01 3.192450E-02 15 1943 5.399370E+00 1.172450E-01 3.172880E-02 15 1944 5.402110E+00 1.143520E-01 3.181870E-02 15 1945 5.404840E+00 1.388250E-01 3.181560E-02 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5.464990E+00 1.493360E-01 3.177550E-02 15 1968 5.467720E+00 1.232170E-01 3.166510E-02 15 1969 5.470460E+00 1.183530E-01 3.167790E-02 15 1970 5.473190E+00 9.049250E-02 3.142550E-02 15 1971 5.475930E+00 9.897360E-02 3.160390E-02 15 1972 5.478660E+00 1.092600E-01 3.170650E-02 15 1973 5.481390E+00 1.297270E-01 3.167400E-02 15 1974 5.484130E+00 1.268650E-01 3.183940E-02 15 1975 5.486860E+00 1.237290E-01 3.164940E-02 15 1976 5.489600E+00 1.302550E-01 3.175280E-02 15 1977 5.492330E+00 1.455140E-01 3.178110E-02 15 1978 5.495060E+00 1.241040E-01 3.159030E-02 15 1979 5.497800E+00 9.267930E-02 3.164260E-02 15 1980 5.500530E+00 1.070030E-01 3.152380E-02 15 1981 5.503270E+00 1.038970E-01 3.159690E-02 15 1982 5.506000E+00 1.317050E-01 3.168770E-02 15 1983 5.508730E+00 1.172060E-01 3.153810E-02 15 1984 5.511470E+00 1.375350E-01 3.166280E-02 15 1985 5.514200E+00 1.463830E-01 3.163590E-02 15 1986 5.516940E+00 1.388110E-01 3.185090E-02 15 1987 5.519670E+00 1.218700E-01 3.176670E-02 15 1988 5.522400E+00 1.019440E-01 3.160000E-02 15 1989 5.525140E+00 1.036880E-01 3.202550E-02 15 1990 5.527870E+00 1.291520E-01 3.424850E-02 15 1991 5.530610E+00 1.302640E-01 3.604120E-02 15 1992 5.533340E+00 1.420370E-01 3.725510E-02 15 1993 5.536070E+00 1.270620E-01 3.420610E-02 15 1994 5.538810E+00 1.224630E-01 3.320890E-02 15 1995 5.541540E+00 1.127200E-01 3.253470E-02 15 1996 5.544280E+00 1.423240E-01 3.227880E-02 15 1997 5.547010E+00 9.282770E-02 3.214690E-02 15 1998 5.549740E+00 9.161620E-02 3.211740E-02 15 1999 5.552480E+00 1.025230E-01 3.211740E-02 15 2000 5.555210E+00 1.136740E-01 3.196770E-02 15 2001 5.557950E+00 1.051090E-01 3.200410E-02 15 2002 5.560680E+00 1.177040E-01 3.196150E-02 15 2003 5.563410E+00 1.196850E-01 3.202140E-02 15 2004 5.566150E+00 1.251830E-01 3.201310E-02 15 2005 5.568880E+00 1.545340E-01 3.195950E-02 15 2006 5.571620E+00 1.287580E-01 3.205310E-02 15 2007 5.574350E+00 1.093430E-01 3.195380E-02 15 2008 5.577090E+00 1.290170E-01 3.206460E-02 15 2009 5.579820E+00 1.120530E-01 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9.058660E-02 15 3327 1.675550E+01 3.108890E-02 8.990460E-02 15 3328 1.676480E+01 4.185890E-02 9.116950E-02 15 3329 1.677400E+01 -4.521330E-02 9.029550E-02 15 3330 1.678330E+01 3.301850E-02 9.131960E-02 15 3331 1.679250E+01 3.915170E-02 9.060010E-02 15 3332 1.680180E+01 4.479820E-03 9.165620E-02 15 3333 1.681100E+01 3.695370E-02 9.118310E-02 15 3334 1.682030E+01 4.471890E-02 9.119290E-02 15 3335 1.682960E+01 -9.216290E-03 9.242850E-02 15 3336 1.683880E+01 3.709610E-02 9.187430E-02 15 3337 1.684810E+01 4.648820E-02 9.300820E-02 15 3338 1.685730E+01 1.621980E-02 9.213530E-02 15 3339 1.686660E+01 3.395950E-02 9.306610E-02 15 3340 1.687580E+01 1.013040E-01 9.232050E-02 15 3341 1.688510E+01 6.958590E-02 9.359900E-02 15 3342 1.689430E+01 5.481780E-02 9.285290E-02 15 3343 1.690360E+01 -3.069040E-03 9.408080E-02 15 3344 1.691280E+01 4.379140E-03 9.313650E-02 15 3345 1.692210E+01 -6.492160E-03 9.443300E-02 15 3346 1.693130E+01 1.169220E-02 9.383280E-02 15 3347 1.694060E+01 4.383210E-02 9.400510E-02 15 3348 1.694990E+01 7.661720E-03 9.504980E-02 15 3349 1.695910E+01 1.745980E-02 9.397630E-02 15 3350 1.696840E+01 3.271190E-02 9.541670E-02 15 3351 1.697760E+01 -6.797240E-02 9.482810E-02 15 3352 1.698690E+01 -2.764240E-02 9.598710E-02 15 3353 1.699610E+01 3.471600E-02 9.487650E-02 15 3354 1.700540E+01 9.822120E-02 9.622700E-02 15 3355 1.701460E+01 2.016670E-02 9.554470E-02 15 3356 1.702390E+01 -1.311430E-02 9.685550E-02 15 3357 1.703310E+01 1.474390E-02 9.649500E-02 15 3358 1.704240E+01 6.093530E-02 9.670720E-02 15 3359 1.705170E+01 1.907480E-02 9.752010E-02 15 3360 1.706090E+01 2.410780E-04 9.671480E-02 15 3361 1.707020E+01 3.314600E-02 9.821390E-02 15 3362 1.707940E+01 4.572210E-02 9.733650E-02 15 3363 1.708870E+01 6.405860E-02 9.815730E-02 15 3364 1.709790E+01 4.857960E-02 9.756090E-02 15 3365 1.710720E+01 -3.267960E-02 9.912120E-02 15 3366 1.711640E+01 1.276040E-02 9.666080E-02 15 3367 1.712570E+01 -2.372970E-03 9.699530E-02 15 3368 1.713490E+01 7.589960E-03 9.721600E-02 15 3369 1.714420E+01 3.440940E-02 1.001730E-01 15 3370 1.715340E+01 8.544140E-02 9.947930E-02 15 3371 1.716270E+01 7.273470E-02 9.890670E-02 15 3372 1.717200E+01 -8.079490E-03 1.003980E-01 15 3373 1.718120E+01 5.717950E-02 9.965090E-02 15 3374 1.719050E+01 3.954770E-02 1.006220E-01 15 3375 1.719970E+01 6.661660E-02 9.979980E-02 15 3376 1.720900E+01 2.995520E-02 1.011170E-01 15 3377 1.721820E+01 6.409370E-03 1.003010E-01 15 3378 1.722750E+01 1.141210E-02 1.016680E-01 15 3379 1.723670E+01 1.930140E-02 1.004160E-01 15 3380 1.724600E+01 7.066600E-02 1.018300E-01 15 3381 1.725520E+01 1.503610E-02 1.013400E-01 15 3382 1.726450E+01 -2.926720E-03 1.011970E-01 15 3383 1.727380E+01 -1.596970E-02 1.024250E-01 15 3384 1.728300E+01 1.478130E-02 1.016340E-01 15 3385 1.729230E+01 5.564910E-02 1.030350E-01 15 3386 1.730150E+01 4.953110E-02 1.021540E-01 15 3387 1.731080E+01 -5.138380E-02 1.033540E-01 15 3388 1.732000E+01 5.048490E-02 1.029530E-01 15 3389 1.732930E+01 -9.901950E-03 1.040690E-01 15 3390 1.733850E+01 2.852830E-02 1.029220E-01 15 3391 1.734780E+01 1.341100E-02 1.046320E-01 15 3392 1.735700E+01 8.285560E-02 1.037080E-01 15 3393 1.736630E+01 1.836330E-02 1.049670E-01 15 3394 1.737550E+01 -6.322490E-02 1.036560E-01 15 3395 1.738480E+01 -1.847860E-02 1.035970E-01 15 3396 1.739410E+01 -3.621190E-02 1.049990E-01 15 3397 1.740330E+01 -6.164830E-03 1.042670E-01 15 3398 1.741260E+01 2.527870E-02 1.053400E-01 15 3399 1.742180E+01 -7.094470E-04 1.039570E-01 15 3400 1.743110E+01 5.476430E-02 1.057560E-01 15 3401 1.744030E+01 -2.136360E-02 1.049160E-01 15 3402 1.744960E+01 6.827750E-02 1.061690E-01 15 3403 1.745880E+01 1.232750E-02 1.047470E-01 15 3404 1.746810E+01 5.219780E-02 1.064080E-01 15 3405 1.747730E+01 6.324130E-02 1.053420E-01 15 3406 1.748660E+01 2.991730E-02 1.064360E-01 15 3407 1.749580E+01 -3.627570E-02 1.063190E-01 15 3408 1.750510E+01 -2.529900E-02 1.062670E-01 15 3409 1.751440E+01 -2.017050E-02 1.072930E-01 15 3410 1.752360E+01 1.981460E-02 1.065290E-01 15 3411 1.753290E+01 2.410890E-02 1.075880E-01 15 3412 1.754210E+01 9.021420E-02 1.065820E-01 15 3413 1.755140E+01 7.125410E-02 1.077310E-01 15 3414 1.756060E+01 -2.286530E-02 1.071260E-01 15 3415 1.756990E+01 -3.828010E-02 1.081590E-01 15 3416 1.757910E+01 2.419690E-02 1.072970E-01 15 3417 1.758840E+01 -3.102430E-02 1.092930E-01 15 3418 1.759760E+01 -7.594900E-03 1.084040E-01 15 3419 1.760690E+01 3.951120E-04 1.085720E-01 15 3420 1.761620E+01 -2.701410E-02 1.098550E-01 15 3421 1.762540E+01 -1.993140E-02 1.086330E-01 15 3422 1.763470E+01 4.153470E-02 1.105260E-01 15 3423 1.764390E+01 5.078020E-02 1.091940E-01 15 3424 1.765320E+01 -5.392790E-02 1.124520E-01 15 3425 1.766240E+01 3.225070E-02 1.232110E-01 15 3426 1.767170E+01 1.329090E-03 1.323660E-01 15 3427 1.768090E+01 2.070570E-02 1.338470E-01 15 3428 1.769020E+01 -8.673470E-02 1.928610E-01 15 # _sas_p_of_R_details.id 15 _sas_p_of_R_details.intensity_id 15 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 1739 _sas_p_of_R_details.qmin 0.308583 _sas_p_of_R_details.qmax 5.06308 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 1739 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 4.06 # loop_ _sas_p_of_R.id _sas_p_of_R.ordinal _sas_p_of_R.r _sas_p_of_R.P _sas_p_of_R.P_error 15 1 0.000000E+00 0.000000E+00 0.000000E+00 15 2 1.592000E-02 3.474000E-03 1.138000E-04 15 3 3.184000E-02 6.956000E-03 2.158000E-04 15 4 4.776000E-02 1.045000E-02 3.062000E-04 15 5 6.369000E-02 1.395000E-02 3.851000E-04 15 6 7.961000E-02 1.746000E-02 4.527000E-04 15 7 9.553000E-02 2.098000E-02 5.092000E-04 15 8 1.115000E-01 2.451000E-02 5.549000E-04 15 9 1.274000E-01 2.805000E-02 5.902000E-04 15 10 1.433000E-01 3.161000E-02 6.155000E-04 15 11 1.592000E-01 3.518000E-02 6.311000E-04 15 12 1.751000E-01 3.876000E-02 6.377000E-04 15 13 1.911000E-01 4.236000E-02 6.356000E-04 15 14 2.070000E-01 4.598000E-02 6.256000E-04 15 15 2.229000E-01 4.962000E-02 6.084000E-04 15 16 2.388000E-01 5.328000E-02 5.845000E-04 15 17 2.547000E-01 5.696000E-02 5.550000E-04 15 18 2.707000E-01 6.067000E-02 5.208000E-04 15 19 2.866000E-01 6.441000E-02 4.831000E-04 15 20 3.025000E-01 6.817000E-02 4.434000E-04 15 21 3.184000E-01 7.197000E-02 4.034000E-04 15 22 3.344000E-01 7.579000E-02 3.657000E-04 15 23 3.503000E-01 7.965000E-02 3.335000E-04 15 24 3.662000E-01 8.355000E-02 3.106000E-04 15 25 3.821000E-01 8.748000E-02 3.009000E-04 15 26 3.980000E-01 9.146000E-02 3.068000E-04 15 27 4.140000E-01 9.548000E-02 3.279000E-04 15 28 4.299000E-01 9.954000E-02 3.618000E-04 15 29 4.458000E-01 1.036000E-01 4.046000E-04 15 30 4.617000E-01 1.078000E-01 4.533000E-04 15 31 4.776000E-01 1.120000E-01 5.052000E-04 15 32 4.936000E-01 1.163000E-01 5.583000E-04 15 33 5.095000E-01 1.206000E-01 6.111000E-04 15 34 5.254000E-01 1.249000E-01 6.626000E-04 15 35 5.413000E-01 1.293000E-01 7.118000E-04 15 36 5.573000E-01 1.338000E-01 7.580000E-04 15 37 5.732000E-01 1.383000E-01 8.006000E-04 15 38 5.891000E-01 1.429000E-01 8.391000E-04 15 39 6.050000E-01 1.475000E-01 8.732000E-04 15 40 6.209000E-01 1.522000E-01 9.024000E-04 15 41 6.369000E-01 1.570000E-01 9.267000E-04 15 42 6.528000E-01 1.618000E-01 9.458000E-04 15 43 6.687000E-01 1.666000E-01 9.595000E-04 15 44 6.846000E-01 1.716000E-01 9.679000E-04 15 45 7.005000E-01 1.766000E-01 9.709000E-04 15 46 7.165000E-01 1.816000E-01 9.687000E-04 15 47 7.324000E-01 1.867000E-01 9.613000E-04 15 48 7.483000E-01 1.918000E-01 9.490000E-04 15 49 7.642000E-01 1.970000E-01 9.320000E-04 15 50 7.802000E-01 2.023000E-01 9.108000E-04 15 51 7.961000E-01 2.076000E-01 8.858000E-04 15 52 8.120000E-01 2.129000E-01 8.575000E-04 15 53 8.279000E-01 2.183000E-01 8.265000E-04 15 54 8.438000E-01 2.238000E-01 7.937000E-04 15 55 8.598000E-01 2.293000E-01 7.599000E-04 15 56 8.757000E-01 2.348000E-01 7.263000E-04 15 57 8.916000E-01 2.403000E-01 6.940000E-04 15 58 9.075000E-01 2.459000E-01 6.643000E-04 15 59 9.235000E-01 2.516000E-01 6.389000E-04 15 60 9.394000E-01 2.572000E-01 6.191000E-04 15 61 9.553000E-01 2.629000E-01 6.064000E-04 15 62 9.712000E-01 2.685000E-01 6.017000E-04 15 63 9.871000E-01 2.742000E-01 6.058000E-04 15 64 1.003000E+00 2.800000E-01 6.185000E-04 15 65 1.019000E+00 2.857000E-01 6.393000E-04 15 66 1.035000E+00 2.914000E-01 6.672000E-04 15 67 1.051000E+00 2.971000E-01 7.007000E-04 15 68 1.067000E+00 3.028000E-01 7.386000E-04 15 69 1.083000E+00 3.085000E-01 7.794000E-04 15 70 1.099000E+00 3.142000E-01 8.219000E-04 15 71 1.115000E+00 3.198000E-01 8.649000E-04 15 72 1.130000E+00 3.255000E-01 9.075000E-04 15 73 1.146000E+00 3.311000E-01 9.488000E-04 15 74 1.162000E+00 3.367000E-01 9.881000E-04 15 75 1.178000E+00 3.422000E-01 1.025000E-03 15 76 1.194000E+00 3.477000E-01 1.058000E-03 15 77 1.210000E+00 3.531000E-01 1.088000E-03 15 78 1.226000E+00 3.585000E-01 1.114000E-03 15 79 1.242000E+00 3.638000E-01 1.135000E-03 15 80 1.258000E+00 3.690000E-01 1.152000E-03 15 81 1.274000E+00 3.742000E-01 1.165000E-03 15 82 1.290000E+00 3.793000E-01 1.172000E-03 15 83 1.306000E+00 3.843000E-01 1.175000E-03 15 84 1.321000E+00 3.893000E-01 1.173000E-03 15 85 1.337000E+00 3.941000E-01 1.167000E-03 15 86 1.353000E+00 3.989000E-01 1.156000E-03 15 87 1.369000E+00 4.035000E-01 1.141000E-03 15 88 1.385000E+00 4.081000E-01 1.122000E-03 15 89 1.401000E+00 4.125000E-01 1.100000E-03 15 90 1.417000E+00 4.169000E-01 1.075000E-03 15 91 1.433000E+00 4.211000E-01 1.047000E-03 15 92 1.449000E+00 4.252000E-01 1.018000E-03 15 93 1.465000E+00 4.291000E-01 9.880000E-04 15 94 1.481000E+00 4.330000E-01 9.582000E-04 15 95 1.497000E+00 4.367000E-01 9.294000E-04 15 96 1.513000E+00 4.402000E-01 9.027000E-04 15 97 1.528000E+00 4.437000E-01 8.792000E-04 15 98 1.544000E+00 4.469000E-01 8.600000E-04 15 99 1.560000E+00 4.501000E-01 8.462000E-04 15 100 1.576000E+00 4.531000E-01 8.385000E-04 15 101 1.592000E+00 4.559000E-01 8.375000E-04 15 102 1.608000E+00 4.586000E-01 8.436000E-04 15 103 1.624000E+00 4.611000E-01 8.567000E-04 15 104 1.640000E+00 4.635000E-01 8.763000E-04 15 105 1.656000E+00 4.657000E-01 9.017000E-04 15 106 1.672000E+00 4.677000E-01 9.321000E-04 15 107 1.688000E+00 4.696000E-01 9.665000E-04 15 108 1.704000E+00 4.713000E-01 1.004000E-03 15 109 1.720000E+00 4.728000E-01 1.043000E-03 15 110 1.735000E+00 4.741000E-01 1.083000E-03 15 111 1.751000E+00 4.753000E-01 1.123000E-03 15 112 1.767000E+00 4.763000E-01 1.162000E-03 15 113 1.783000E+00 4.772000E-01 1.199000E-03 15 114 1.799000E+00 4.779000E-01 1.235000E-03 15 115 1.815000E+00 4.783000E-01 1.267000E-03 15 116 1.831000E+00 4.787000E-01 1.296000E-03 15 117 1.847000E+00 4.788000E-01 1.322000E-03 15 118 1.863000E+00 4.788000E-01 1.343000E-03 15 119 1.879000E+00 4.785000E-01 1.361000E-03 15 120 1.895000E+00 4.781000E-01 1.374000E-03 15 121 1.911000E+00 4.776000E-01 1.382000E-03 15 122 1.927000E+00 4.768000E-01 1.386000E-03 15 123 1.942000E+00 4.759000E-01 1.385000E-03 15 124 1.958000E+00 4.748000E-01 1.380000E-03 15 125 1.974000E+00 4.736000E-01 1.370000E-03 15 126 1.990000E+00 4.722000E-01 1.357000E-03 15 127 2.006000E+00 4.706000E-01 1.340000E-03 15 128 2.022000E+00 4.688000E-01 1.319000E-03 15 129 2.038000E+00 4.669000E-01 1.296000E-03 15 130 2.054000E+00 4.648000E-01 1.270000E-03 15 131 2.070000E+00 4.625000E-01 1.243000E-03 15 132 2.086000E+00 4.601000E-01 1.216000E-03 15 133 2.102000E+00 4.576000E-01 1.188000E-03 15 134 2.118000E+00 4.549000E-01 1.161000E-03 15 135 2.133000E+00 4.520000E-01 1.137000E-03 15 136 2.149000E+00 4.490000E-01 1.115000E-03 15 137 2.165000E+00 4.458000E-01 1.097000E-03 15 138 2.181000E+00 4.425000E-01 1.084000E-03 15 139 2.197000E+00 4.391000E-01 1.077000E-03 15 140 2.213000E+00 4.355000E-01 1.075000E-03 15 141 2.229000E+00 4.318000E-01 1.080000E-03 15 142 2.245000E+00 4.279000E-01 1.092000E-03 15 143 2.261000E+00 4.240000E-01 1.110000E-03 15 144 2.277000E+00 4.199000E-01 1.134000E-03 15 145 2.293000E+00 4.157000E-01 1.163000E-03 15 146 2.309000E+00 4.114000E-01 1.196000E-03 15 147 2.325000E+00 4.070000E-01 1.233000E-03 15 148 2.340000E+00 4.024000E-01 1.272000E-03 15 149 2.356000E+00 3.978000E-01 1.313000E-03 15 150 2.372000E+00 3.931000E-01 1.355000E-03 15 151 2.388000E+00 3.883000E-01 1.396000E-03 15 152 2.404000E+00 3.834000E-01 1.437000E-03 15 153 2.420000E+00 3.784000E-01 1.476000E-03 15 154 2.436000E+00 3.733000E-01 1.513000E-03 15 155 2.452000E+00 3.682000E-01 1.547000E-03 15 156 2.468000E+00 3.630000E-01 1.577000E-03 15 157 2.484000E+00 3.578000E-01 1.605000E-03 15 158 2.500000E+00 3.525000E-01 1.628000E-03 15 159 2.516000E+00 3.471000E-01 1.647000E-03 15 160 2.532000E+00 3.417000E-01 1.662000E-03 15 161 2.547000E+00 3.362000E-01 1.673000E-03 15 162 2.563000E+00 3.307000E-01 1.679000E-03 15 163 2.579000E+00 3.252000E-01 1.681000E-03 15 164 2.595000E+00 3.197000E-01 1.679000E-03 15 165 2.611000E+00 3.141000E-01 1.673000E-03 15 166 2.627000E+00 3.085000E-01 1.663000E-03 15 167 2.643000E+00 3.029000E-01 1.651000E-03 15 168 2.659000E+00 2.973000E-01 1.635000E-03 15 169 2.675000E+00 2.917000E-01 1.618000E-03 15 170 2.691000E+00 2.861000E-01 1.599000E-03 15 171 2.707000E+00 2.804000E-01 1.580000E-03 15 172 2.723000E+00 2.748000E-01 1.561000E-03 15 173 2.739000E+00 2.693000E-01 1.542000E-03 15 174 2.754000E+00 2.637000E-01 1.526000E-03 15 175 2.770000E+00 2.581000E-01 1.512000E-03 15 176 2.786000E+00 2.526000E-01 1.501000E-03 15 177 2.802000E+00 2.471000E-01 1.494000E-03 15 178 2.818000E+00 2.417000E-01 1.493000E-03 15 179 2.834000E+00 2.363000E-01 1.496000E-03 15 180 2.850000E+00 2.309000E-01 1.505000E-03 15 181 2.866000E+00 2.255000E-01 1.520000E-03 15 182 2.882000E+00 2.203000E-01 1.540000E-03 15 183 2.898000E+00 2.150000E-01 1.565000E-03 15 184 2.914000E+00 2.098000E-01 1.595000E-03 15 185 2.930000E+00 2.047000E-01 1.628000E-03 15 186 2.945000E+00 1.996000E-01 1.665000E-03 15 187 2.961000E+00 1.946000E-01 1.704000E-03 15 188 2.977000E+00 1.896000E-01 1.745000E-03 15 189 2.993000E+00 1.847000E-01 1.787000E-03 15 190 3.009000E+00 1.799000E-01 1.828000E-03 15 191 3.025000E+00 1.751000E-01 1.868000E-03 15 192 3.041000E+00 1.704000E-01 1.906000E-03 15 193 3.057000E+00 1.658000E-01 1.942000E-03 15 194 3.073000E+00 1.612000E-01 1.974000E-03 15 195 3.089000E+00 1.567000E-01 2.003000E-03 15 196 3.105000E+00 1.523000E-01 2.027000E-03 15 197 3.121000E+00 1.480000E-01 2.046000E-03 15 198 3.137000E+00 1.437000E-01 2.060000E-03 15 199 3.152000E+00 1.394000E-01 2.068000E-03 15 200 3.168000E+00 1.353000E-01 2.070000E-03 15 201 3.184000E+00 1.312000E-01 2.066000E-03 15 202 3.200000E+00 1.272000E-01 2.056000E-03 15 203 3.216000E+00 1.232000E-01 2.040000E-03 15 204 3.232000E+00 1.193000E-01 2.018000E-03 15 205 3.248000E+00 1.155000E-01 1.990000E-03 15 206 3.264000E+00 1.117000E-01 1.956000E-03 15 207 3.280000E+00 1.080000E-01 1.918000E-03 15 208 3.296000E+00 1.044000E-01 1.875000E-03 15 209 3.312000E+00 1.008000E-01 1.828000E-03 15 210 3.328000E+00 9.725000E-02 1.779000E-03 15 211 3.344000E+00 9.378000E-02 1.729000E-03 15 212 3.359000E+00 9.036000E-02 1.678000E-03 15 213 3.375000E+00 8.699000E-02 1.628000E-03 15 214 3.391000E+00 8.368000E-02 1.582000E-03 15 215 3.407000E+00 8.042000E-02 1.540000E-03 15 216 3.423000E+00 7.721000E-02 1.505000E-03 15 217 3.439000E+00 7.405000E-02 1.479000E-03 15 218 3.455000E+00 7.093000E-02 1.464000E-03 15 219 3.471000E+00 6.786000E-02 1.462000E-03 15 220 3.487000E+00 6.483000E-02 1.472000E-03 15 221 3.503000E+00 6.185000E-02 1.496000E-03 15 222 3.519000E+00 5.892000E-02 1.534000E-03 15 223 3.535000E+00 5.602000E-02 1.584000E-03 15 224 3.551000E+00 5.317000E-02 1.646000E-03 15 225 3.566000E+00 5.037000E-02 1.717000E-03 15 226 3.582000E+00 4.761000E-02 1.796000E-03 15 227 3.598000E+00 4.489000E-02 1.880000E-03 15 228 3.614000E+00 4.222000E-02 1.968000E-03 15 229 3.630000E+00 3.959000E-02 2.057000E-03 15 230 3.646000E+00 3.702000E-02 2.147000E-03 15 231 3.662000E+00 3.449000E-02 2.234000E-03 15 232 3.678000E+00 3.201000E-02 2.319000E-03 15 233 3.694000E+00 2.959000E-02 2.398000E-03 15 234 3.710000E+00 2.723000E-02 2.470000E-03 15 235 3.726000E+00 2.492000E-02 2.535000E-03 15 236 3.742000E+00 2.268000E-02 2.591000E-03 15 237 3.757000E+00 2.051000E-02 2.635000E-03 15 238 3.773000E+00 1.840000E-02 2.669000E-03 15 239 3.789000E+00 1.638000E-02 2.689000E-03 15 240 3.805000E+00 1.443000E-02 2.695000E-03 15 241 3.821000E+00 1.257000E-02 2.685000E-03 15 242 3.837000E+00 1.081000E-02 2.660000E-03 15 243 3.853000E+00 9.138000E-03 2.616000E-03 15 244 3.869000E+00 7.575000E-03 2.554000E-03 15 245 3.885000E+00 6.125000E-03 2.473000E-03 15 246 3.901000E+00 4.794000E-03 2.370000E-03 15 247 3.917000E+00 3.592000E-03 2.246000E-03 15 248 3.933000E+00 2.525000E-03 2.100000E-03 15 249 3.949000E+00 1.603000E-03 1.929000E-03 15 250 3.964000E+00 8.340000E-04 1.735000E-03 15 251 3.980000E+00 2.283000E-04 1.514000E-03 15 252 3.996000E+00 -2.046000E-04 1.268000E-03 15 253 4.012000E+00 -4.545000E-04 9.939000E-04 15 254 4.028000E+00 -5.110000E-04 6.918000E-04 15 255 4.044000E+00 -3.632000E-04 3.608000E-04 15 256 4.060000E+00 0.000000E+00 0.000000E+00 # loop_ _sas_p_of_R_extrapolated_intensity.id _sas_p_of_R_extrapolated_intensity.ordinal _sas_p_of_R_extrapolated_intensity.momentum_transfer _sas_p_of_R_extrapolated_intensity.intensity_reg 15 1 0.000000E+00 1.201990E+01 15 2 1.102080E-02 1.201880E+01 15 3 2.204160E-02 1.201590E+01 15 4 3.306250E-02 1.201090E+01 15 5 4.408330E-02 1.200390E+01 15 6 5.510410E-02 1.199500E+01 15 7 6.612490E-02 1.198410E+01 15 8 7.714570E-02 1.197130E+01 15 9 8.816660E-02 1.195640E+01 15 10 9.918740E-02 1.193960E+01 15 11 1.102080E-01 1.192090E+01 15 12 1.212290E-01 1.190020E+01 15 13 1.322500E-01 1.187760E+01 15 14 1.432710E-01 1.185310E+01 15 15 1.542910E-01 1.182660E+01 15 16 1.653120E-01 1.179830E+01 15 17 1.763330E-01 1.176800E+01 15 18 1.873540E-01 1.173590E+01 15 19 1.983750E-01 1.170200E+01 15 20 2.093960E-01 1.166620E+01 15 21 2.204160E-01 1.162850E+01 15 22 2.314370E-01 1.158910E+01 15 23 2.424580E-01 1.154780E+01 15 24 2.534790E-01 1.150480E+01 15 25 2.645000E-01 1.146010E+01 15 26 2.755210E-01 1.141360E+01 15 27 2.865410E-01 1.136530E+01 15 28 2.975620E-01 1.131540E+01 15 29 3.085830E-01 1.126380E+01 15 30 3.113170E-01 1.125080E+01 15 31 3.140510E-01 1.123760E+01 15 32 3.167850E-01 1.122440E+01 15 33 3.195190E-01 1.121100E+01 15 34 3.222530E-01 1.119760E+01 15 35 3.249870E-01 1.118400E+01 15 36 3.277210E-01 1.117030E+01 15 37 3.304550E-01 1.115660E+01 15 38 3.331890E-01 1.114270E+01 15 39 3.359230E-01 1.112880E+01 15 40 3.386570E-01 1.111470E+01 15 41 3.413910E-01 1.110060E+01 15 42 3.441250E-01 1.108630E+01 15 43 3.468590E-01 1.107200E+01 15 44 3.495930E-01 1.105760E+01 15 45 3.523270E-01 1.104300E+01 15 46 3.550610E-01 1.102840E+01 15 47 3.577950E-01 1.101370E+01 15 48 3.605300E-01 1.099880E+01 15 49 3.632640E-01 1.098390E+01 15 50 3.659980E-01 1.096890E+01 15 51 3.687320E-01 1.095380E+01 15 52 3.714660E-01 1.093860E+01 15 53 3.742000E-01 1.092330E+01 15 54 3.769340E-01 1.090800E+01 15 55 3.796680E-01 1.089250E+01 15 56 3.824020E-01 1.087690E+01 15 57 3.851360E-01 1.086130E+01 15 58 3.878700E-01 1.084550E+01 15 59 3.906040E-01 1.082970E+01 15 60 3.933380E-01 1.081380E+01 15 61 3.960720E-01 1.079770E+01 15 62 3.988060E-01 1.078160E+01 15 63 4.015400E-01 1.076540E+01 15 64 4.042740E-01 1.074920E+01 15 65 4.070080E-01 1.073280E+01 15 66 4.097420E-01 1.071630E+01 15 67 4.124760E-01 1.069980E+01 15 68 4.152100E-01 1.068320E+01 15 69 4.179440E-01 1.066640E+01 15 70 4.206780E-01 1.064960E+01 15 71 4.234130E-01 1.063270E+01 15 72 4.261470E-01 1.061580E+01 15 73 4.288810E-01 1.059870E+01 15 74 4.316150E-01 1.058160E+01 15 75 4.343490E-01 1.056440E+01 15 76 4.370830E-01 1.054700E+01 15 77 4.398170E-01 1.052970E+01 15 78 4.425510E-01 1.051220E+01 15 79 4.452850E-01 1.049460E+01 15 80 4.480190E-01 1.047700E+01 15 81 4.507530E-01 1.045930E+01 15 82 4.534870E-01 1.044150E+01 15 83 4.562210E-01 1.042360E+01 15 84 4.589550E-01 1.040570E+01 15 85 4.616890E-01 1.038760E+01 15 86 4.644230E-01 1.036950E+01 15 87 4.671570E-01 1.035130E+01 15 88 4.698910E-01 1.033310E+01 15 89 4.726250E-01 1.031470E+01 15 90 4.753590E-01 1.029630E+01 15 91 4.780930E-01 1.027780E+01 15 92 4.808270E-01 1.025920E+01 15 93 4.835610E-01 1.024060E+01 15 94 4.862960E-01 1.022180E+01 15 95 4.890300E-01 1.020300E+01 15 96 4.917640E-01 1.018420E+01 15 97 4.944980E-01 1.016520E+01 15 98 4.972320E-01 1.014620E+01 15 99 4.999660E-01 1.012710E+01 15 100 5.027000E-01 1.010800E+01 15 101 5.054340E-01 1.008870E+01 15 102 5.081680E-01 1.006940E+01 15 103 5.109020E-01 1.005010E+01 15 104 5.136360E-01 1.003060E+01 15 105 5.163700E-01 1.001110E+01 15 106 5.191040E-01 9.991540E+00 15 107 5.218380E-01 9.971890E+00 15 108 5.245720E-01 9.952170E+00 15 109 5.273060E-01 9.932390E+00 15 110 5.300400E-01 9.912540E+00 15 111 5.327740E-01 9.892620E+00 15 112 5.355080E-01 9.872640E+00 15 113 5.382420E-01 9.852600E+00 15 114 5.409760E-01 9.832490E+00 15 115 5.437100E-01 9.812310E+00 15 116 5.464450E-01 9.792060E+00 15 117 5.491790E-01 9.771760E+00 15 118 5.519130E-01 9.751400E+00 15 119 5.546470E-01 9.730970E+00 15 120 5.573810E-01 9.710480E+00 15 121 5.601150E-01 9.689930E+00 15 122 5.628490E-01 9.669320E+00 15 123 5.655830E-01 9.648650E+00 15 124 5.683170E-01 9.627920E+00 15 125 5.710510E-01 9.607130E+00 15 126 5.737850E-01 9.586280E+00 15 127 5.765190E-01 9.565370E+00 15 128 5.792530E-01 9.544410E+00 15 129 5.819870E-01 9.523390E+00 15 130 5.847210E-01 9.502310E+00 15 131 5.874550E-01 9.481180E+00 15 132 5.901890E-01 9.459990E+00 15 133 5.929230E-01 9.438750E+00 15 134 5.956570E-01 9.417450E+00 15 135 5.983910E-01 9.396100E+00 15 136 6.011250E-01 9.374690E+00 15 137 6.038590E-01 9.353230E+00 15 138 6.065930E-01 9.331720E+00 15 139 6.093280E-01 9.310150E+00 15 140 6.120620E-01 9.288540E+00 15 141 6.147960E-01 9.266880E+00 15 142 6.175300E-01 9.245160E+00 15 143 6.202640E-01 9.223400E+00 15 144 6.229980E-01 9.201580E+00 15 145 6.257320E-01 9.179720E+00 15 146 6.284660E-01 9.157830E+00 15 147 6.312000E-01 9.135850E+00 15 148 6.339340E-01 9.113850E+00 15 149 6.366680E-01 9.091800E+00 15 150 6.394020E-01 9.069700E+00 15 151 6.421360E-01 9.047560E+00 15 152 6.448700E-01 9.025370E+00 15 153 6.476040E-01 9.003140E+00 15 154 6.503380E-01 8.980870E+00 15 155 6.530720E-01 8.958550E+00 15 156 6.558060E-01 8.936190E+00 15 157 6.585400E-01 8.913780E+00 15 158 6.612740E-01 8.891340E+00 15 159 6.640080E-01 8.868850E+00 15 160 6.667420E-01 8.846320E+00 15 161 6.694760E-01 8.823760E+00 15 162 6.722110E-01 8.801140E+00 15 163 6.749450E-01 8.778500E+00 15 164 6.776790E-01 8.755810E+00 15 165 6.804130E-01 8.733090E+00 15 166 6.831470E-01 8.710330E+00 15 167 6.858810E-01 8.687530E+00 15 168 6.886150E-01 8.664700E+00 15 169 6.913490E-01 8.641830E+00 15 170 6.940830E-01 8.618930E+00 15 171 6.968170E-01 8.595990E+00 15 172 6.995510E-01 8.573020E+00 15 173 7.022850E-01 8.550010E+00 15 174 7.050190E-01 8.526970E+00 15 175 7.077530E-01 8.503900E+00 15 176 7.104870E-01 8.480800E+00 15 177 7.132210E-01 8.457660E+00 15 178 7.159550E-01 8.434490E+00 15 179 7.186890E-01 8.411300E+00 15 180 7.214230E-01 8.388070E+00 15 181 7.241570E-01 8.364810E+00 15 182 7.268910E-01 8.341530E+00 15 183 7.296250E-01 8.318220E+00 15 184 7.323590E-01 8.294880E+00 15 185 7.350940E-01 8.271500E+00 15 186 7.378280E-01 8.248100E+00 15 187 7.405620E-01 8.224680E+00 15 188 7.432960E-01 8.201240E+00 15 189 7.460300E-01 8.177760E+00 15 190 7.487640E-01 8.154270E+00 15 191 7.514980E-01 8.130750E+00 15 192 7.542320E-01 8.107200E+00 15 193 7.569660E-01 8.083640E+00 15 194 7.597000E-01 8.060050E+00 15 195 7.624340E-01 8.036440E+00 15 196 7.651680E-01 8.012810E+00 15 197 7.679020E-01 7.989150E+00 15 198 7.706360E-01 7.965480E+00 15 199 7.733700E-01 7.941790E+00 15 200 7.761040E-01 7.918070E+00 15 201 7.788380E-01 7.894340E+00 15 202 7.815720E-01 7.870590E+00 15 203 7.843060E-01 7.846820E+00 15 204 7.870400E-01 7.823040E+00 15 205 7.897740E-01 7.799240E+00 15 206 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5.013870E+00 1.047070E-01 15 1750 5.016610E+00 1.045810E-01 15 1751 5.019340E+00 1.044520E-01 15 1752 5.022070E+00 1.043240E-01 15 1753 5.024810E+00 1.041970E-01 15 1754 5.027540E+00 1.040710E-01 15 1755 5.030280E+00 1.039460E-01 15 1756 5.033010E+00 1.038190E-01 15 1757 5.035740E+00 1.036940E-01 15 1758 5.038480E+00 1.035690E-01 15 1759 5.041210E+00 1.034450E-01 15 1760 5.043950E+00 1.033210E-01 15 1761 5.046680E+00 1.031980E-01 15 1762 5.049410E+00 1.030750E-01 15 1763 5.052150E+00 1.029530E-01 15 1764 5.054880E+00 1.028310E-01 15 1765 5.057620E+00 1.027090E-01 15 1766 5.060350E+00 1.025880E-01 15 1767 5.063080E+00 1.024680E-01 # data_SASDAG2_FIT_10 # _sas_model_fitting_details.id 10 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 2.8561 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 15 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 10 1 3.086000E-02 1.096780E+01 1.176420E+01 10 2 3.113000E-02 1.090350E+01 1.174970E+01 10 3 3.141000E-02 1.084190E+01 1.173520E+01 10 4 3.168000E-02 1.088000E+01 1.172050E+01 10 5 3.195000E-02 1.088890E+01 1.170580E+01 10 6 3.223000E-02 1.082260E+01 1.169090E+01 10 7 3.250000E-02 1.100890E+01 1.167590E+01 10 8 3.277000E-02 1.096270E+01 1.166080E+01 10 9 3.305000E-02 1.085900E+01 1.164560E+01 10 10 3.332000E-02 1.093470E+01 1.163030E+01 10 11 3.359000E-02 1.087560E+01 1.161490E+01 10 12 3.387000E-02 1.090620E+01 1.159940E+01 10 13 3.414000E-02 1.094290E+01 1.158370E+01 10 14 3.441000E-02 1.077490E+01 1.156800E+01 10 15 3.469000E-02 1.072010E+01 1.155220E+01 10 16 3.496000E-02 1.080560E+01 1.153620E+01 10 17 3.523000E-02 1.085480E+01 1.152020E+01 10 18 3.551000E-02 1.073970E+01 1.150400E+01 10 19 3.578000E-02 1.075830E+01 1.148780E+01 10 20 3.605000E-02 1.086500E+01 1.147140E+01 10 21 3.633000E-02 1.083410E+01 1.145500E+01 10 22 3.660000E-02 1.074920E+01 1.143840E+01 10 23 3.687000E-02 1.073940E+01 1.142180E+01 10 24 3.715000E-02 1.074770E+01 1.140500E+01 10 25 3.742000E-02 1.068920E+01 1.138810E+01 10 26 3.769000E-02 1.065940E+01 1.137120E+01 10 27 3.797000E-02 1.066820E+01 1.135410E+01 10 28 3.824000E-02 1.065430E+01 1.133700E+01 10 29 3.851000E-02 1.078410E+01 1.131980E+01 10 30 3.879000E-02 1.063500E+01 1.130240E+01 10 31 3.906000E-02 1.059980E+01 1.128500E+01 10 32 3.933000E-02 1.063720E+01 1.126750E+01 10 33 3.961000E-02 1.058960E+01 1.124980E+01 10 34 3.988000E-02 1.061720E+01 1.123210E+01 10 35 4.015000E-02 1.066000E+01 1.121430E+01 10 36 4.043000E-02 1.061500E+01 1.119640E+01 10 37 4.070000E-02 1.051910E+01 1.117840E+01 10 38 4.097000E-02 1.056520E+01 1.116030E+01 10 39 4.125000E-02 1.053550E+01 1.114210E+01 10 40 4.152000E-02 1.048980E+01 1.112390E+01 10 41 4.179000E-02 1.040850E+01 1.110550E+01 10 42 4.207000E-02 1.036710E+01 1.108710E+01 10 43 4.234000E-02 1.032650E+01 1.106850E+01 10 44 4.261000E-02 1.035270E+01 1.104990E+01 10 45 4.289000E-02 1.037440E+01 1.103120E+01 10 46 4.316000E-02 1.038600E+01 1.101240E+01 10 47 4.343000E-02 1.035230E+01 1.099350E+01 10 48 4.371000E-02 1.039150E+01 1.097450E+01 10 49 4.398000E-02 1.035770E+01 1.095540E+01 10 50 4.426000E-02 1.029510E+01 1.093630E+01 10 51 4.453000E-02 1.031700E+01 1.091710E+01 10 52 4.480000E-02 1.028670E+01 1.089780E+01 10 53 4.508000E-02 1.017610E+01 1.087840E+01 10 54 4.535000E-02 1.020210E+01 1.085890E+01 10 55 4.562000E-02 1.019830E+01 1.083930E+01 10 56 4.590000E-02 1.016090E+01 1.081960E+01 10 57 4.617000E-02 1.015270E+01 1.079990E+01 10 58 4.644000E-02 1.021310E+01 1.078010E+01 10 59 4.672000E-02 1.012590E+01 1.076020E+01 10 60 4.699000E-02 1.003500E+01 1.074020E+01 10 61 4.726000E-02 1.007240E+01 1.072020E+01 10 62 4.754000E-02 1.014470E+01 1.070000E+01 10 63 4.781000E-02 1.008240E+01 1.067980E+01 10 64 4.808000E-02 1.008860E+01 1.065950E+01 10 65 4.836000E-02 1.010350E+01 1.063910E+01 10 66 4.863000E-02 1.003980E+01 1.061870E+01 10 67 4.890000E-02 1.001930E+01 1.059810E+01 10 68 4.918000E-02 1.000250E+01 1.057750E+01 10 69 4.945000E-02 1.000430E+01 1.055690E+01 10 70 4.972000E-02 9.986770E+00 1.053610E+01 10 71 5.000000E-02 9.905010E+00 1.051530E+01 10 72 5.027000E-02 9.914520E+00 1.049430E+01 10 73 5.054000E-02 9.967880E+00 1.047340E+01 10 74 5.082000E-02 9.955190E+00 1.045230E+01 10 75 5.109000E-02 9.986210E+00 1.043120E+01 10 76 5.136000E-02 9.949020E+00 1.041000E+01 10 77 5.164000E-02 1.002490E+01 1.038870E+01 10 78 5.191000E-02 9.995540E+00 1.036730E+01 10 79 5.218000E-02 9.940790E+00 1.034590E+01 10 80 5.246000E-02 9.954360E+00 1.032440E+01 10 81 5.273000E-02 9.912380E+00 1.030290E+01 10 82 5.300000E-02 9.912600E+00 1.028120E+01 10 83 5.328000E-02 9.803830E+00 1.025950E+01 10 84 5.355000E-02 9.919360E+00 1.023770E+01 10 85 5.382000E-02 9.880800E+00 1.021590E+01 10 86 5.410000E-02 9.969190E+00 1.019400E+01 10 87 5.437000E-02 9.801410E+00 1.017200E+01 10 88 5.464000E-02 9.733510E+00 1.015000E+01 10 89 5.492000E-02 9.790310E+00 1.012790E+01 10 90 5.519000E-02 9.734630E+00 1.010570E+01 10 91 5.546000E-02 9.677830E+00 1.008340E+01 10 92 5.574000E-02 9.734730E+00 1.006110E+01 10 93 5.601000E-02 9.703780E+00 1.003880E+01 10 94 5.628000E-02 9.670740E+00 1.001630E+01 10 95 5.656000E-02 9.669860E+00 9.993840E+00 10 96 5.683000E-02 9.696400E+00 9.971280E+00 10 97 5.711000E-02 9.642090E+00 9.948660E+00 10 98 5.738000E-02 9.642010E+00 9.925980E+00 10 99 5.765000E-02 9.609380E+00 9.903240E+00 10 100 5.793000E-02 9.588300E+00 9.880440E+00 10 101 5.820000E-02 9.632570E+00 9.857580E+00 10 102 5.847000E-02 9.620830E+00 9.834660E+00 10 103 5.875000E-02 9.676970E+00 9.811680E+00 10 104 5.902000E-02 9.539860E+00 9.788640E+00 10 105 5.929000E-02 9.494860E+00 9.765540E+00 10 106 5.957000E-02 9.533470E+00 9.742390E+00 10 107 5.984000E-02 9.494950E+00 9.719190E+00 10 108 6.011000E-02 9.480700E+00 9.695920E+00 10 109 6.039000E-02 9.539710E+00 9.672600E+00 10 110 6.066000E-02 9.553880E+00 9.649230E+00 10 111 6.093000E-02 9.478570E+00 9.625790E+00 10 112 6.121000E-02 9.397660E+00 9.602310E+00 10 113 6.148000E-02 9.383840E+00 9.578780E+00 10 114 6.175000E-02 9.374850E+00 9.555190E+00 10 115 6.203000E-02 9.384340E+00 9.531550E+00 10 116 6.230000E-02 9.303100E+00 9.507860E+00 10 117 6.257000E-02 9.281720E+00 9.484120E+00 10 118 6.285000E-02 9.361390E+00 9.460330E+00 10 119 6.312000E-02 9.316950E+00 9.436500E+00 10 120 6.339000E-02 9.220280E+00 9.412610E+00 10 121 6.367000E-02 9.191810E+00 9.388670E+00 10 122 6.394000E-02 9.066020E+00 9.364690E+00 10 123 6.421000E-02 9.048780E+00 9.340650E+00 10 124 6.449000E-02 9.164080E+00 9.316580E+00 10 125 6.476000E-02 9.090620E+00 9.292450E+00 10 126 6.503000E-02 9.110980E+00 9.268280E+00 10 127 6.531000E-02 9.048980E+00 9.244070E+00 10 128 6.558000E-02 9.026960E+00 9.219810E+00 10 129 6.585000E-02 9.089250E+00 9.195510E+00 10 130 6.613000E-02 9.142300E+00 9.171160E+00 10 131 6.640000E-02 9.112000E+00 9.146780E+00 10 132 6.667000E-02 9.042110E+00 9.122350E+00 10 133 6.695000E-02 8.991340E+00 9.097880E+00 10 134 6.722000E-02 8.960930E+00 9.073360E+00 10 135 6.749000E-02 8.935860E+00 9.048810E+00 10 136 6.777000E-02 8.975540E+00 9.024210E+00 10 137 6.804000E-02 8.979230E+00 8.999580E+00 10 138 6.831000E-02 8.961260E+00 8.974920E+00 10 139 6.859000E-02 8.980820E+00 8.950210E+00 10 140 6.886000E-02 8.945280E+00 8.925470E+00 10 141 6.913000E-02 8.849780E+00 8.900690E+00 10 142 6.941000E-02 8.788170E+00 8.875870E+00 10 143 6.968000E-02 8.837220E+00 8.851020E+00 10 144 6.996000E-02 8.777180E+00 8.826140E+00 10 145 7.023000E-02 8.709300E+00 8.801220E+00 10 146 7.050000E-02 8.772640E+00 8.776260E+00 10 147 7.078000E-02 8.740380E+00 8.751280E+00 10 148 7.105000E-02 8.633420E+00 8.726260E+00 10 149 7.132000E-02 8.651910E+00 8.701210E+00 10 150 7.160000E-02 8.688540E+00 8.676120E+00 10 151 7.187000E-02 8.639660E+00 8.651010E+00 10 152 7.214000E-02 8.664980E+00 8.625870E+00 10 153 7.242000E-02 8.511850E+00 8.600700E+00 10 154 7.269000E-02 8.519540E+00 8.575500E+00 10 155 7.296000E-02 8.451710E+00 8.550270E+00 10 156 7.324000E-02 8.499640E+00 8.525010E+00 10 157 7.351000E-02 8.433490E+00 8.499720E+00 10 158 7.378000E-02 8.416540E+00 8.474410E+00 10 159 7.406000E-02 8.409390E+00 8.449070E+00 10 160 7.433000E-02 8.341770E+00 8.423710E+00 10 161 7.460000E-02 8.298430E+00 8.398330E+00 10 162 7.488000E-02 8.276490E+00 8.372920E+00 10 163 7.515000E-02 8.297790E+00 8.347490E+00 10 164 7.542000E-02 8.336870E+00 8.322030E+00 10 165 7.570000E-02 8.235070E+00 8.296550E+00 10 166 7.597000E-02 8.237800E+00 8.271050E+00 10 167 7.624000E-02 8.295060E+00 8.245530E+00 10 168 7.652000E-02 8.259180E+00 8.219990E+00 10 169 7.679000E-02 8.119790E+00 8.194430E+00 10 170 7.706000E-02 8.056280E+00 8.168850E+00 10 171 7.734000E-02 8.129210E+00 8.143250E+00 10 172 7.761000E-02 8.130930E+00 8.117630E+00 10 173 7.788000E-02 8.021670E+00 8.092000E+00 10 174 7.816000E-02 7.984700E+00 8.066350E+00 10 175 7.843000E-02 8.064470E+00 8.040680E+00 10 176 7.870000E-02 8.042860E+00 8.014990E+00 10 177 7.898000E-02 7.886060E+00 7.989300E+00 10 178 7.925000E-02 7.932430E+00 7.963580E+00 10 179 7.952000E-02 7.925130E+00 7.937860E+00 10 180 7.980000E-02 7.865950E+00 7.912110E+00 10 181 8.007000E-02 7.897860E+00 7.886350E+00 10 182 8.034000E-02 7.912200E+00 7.860590E+00 10 183 8.062000E-02 7.815800E+00 7.834810E+00 10 184 8.089000E-02 7.729260E+00 7.809020E+00 10 185 8.116000E-02 7.729010E+00 7.783220E+00 10 186 8.144000E-02 7.709620E+00 7.757420E+00 10 187 8.171000E-02 7.725490E+00 7.731600E+00 10 188 8.198000E-02 7.625610E+00 7.705770E+00 10 189 8.226000E-02 7.631330E+00 7.679940E+00 10 190 8.253000E-02 7.523820E+00 7.654100E+00 10 191 8.281000E-02 7.531120E+00 7.628250E+00 10 192 8.308000E-02 7.556810E+00 7.602390E+00 10 193 8.335000E-02 7.506730E+00 7.576530E+00 10 194 8.363000E-02 7.477250E+00 7.550670E+00 10 195 8.390000E-02 7.489750E+00 7.524800E+00 10 196 8.417000E-02 7.489350E+00 7.498920E+00 10 197 8.445000E-02 7.407860E+00 7.473040E+00 10 198 8.472000E-02 7.364060E+00 7.447160E+00 10 199 8.499000E-02 7.417540E+00 7.421280E+00 10 200 8.527000E-02 7.306650E+00 7.395390E+00 10 201 8.554000E-02 7.297710E+00 7.369510E+00 10 202 8.581000E-02 7.380120E+00 7.343620E+00 10 203 8.609000E-02 7.252670E+00 7.317720E+00 10 204 8.636000E-02 7.184770E+00 7.291840E+00 10 205 8.663000E-02 7.180390E+00 7.265950E+00 10 206 8.691000E-02 7.156870E+00 7.240070E+00 10 207 8.718000E-02 7.198720E+00 7.214190E+00 10 208 8.745000E-02 7.155730E+00 7.188310E+00 10 209 8.773000E-02 7.094360E+00 7.162430E+00 10 210 8.800000E-02 7.073580E+00 7.136550E+00 10 211 8.827000E-02 7.023200E+00 7.110690E+00 10 212 8.855000E-02 7.001750E+00 7.084820E+00 10 213 8.882000E-02 6.979180E+00 7.058960E+00 10 214 8.909000E-02 6.945960E+00 7.033110E+00 10 215 8.937000E-02 7.025720E+00 7.007260E+00 10 216 8.964000E-02 7.001040E+00 6.981420E+00 10 217 8.991000E-02 6.880900E+00 6.955590E+00 10 218 9.019000E-02 6.823230E+00 6.929760E+00 10 219 9.046000E-02 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2.048200E-01 2.065130E-01 10 805 2.509500E-01 1.845690E-01 2.058760E-01 10 806 2.512200E-01 2.279380E-01 2.052510E-01 10 807 2.515000E-01 2.727340E-01 2.046340E-01 10 808 2.517700E-01 2.423970E-01 2.040290E-01 10 809 2.520400E-01 2.326310E-01 2.034340E-01 10 810 2.523200E-01 1.912890E-01 2.028470E-01 10 811 2.525900E-01 1.905090E-01 2.022730E-01 10 812 2.528600E-01 2.001260E-01 2.017060E-01 10 813 2.531400E-01 1.752900E-01 2.011510E-01 10 814 2.534100E-01 2.265650E-01 2.006070E-01 10 815 2.536800E-01 2.329430E-01 2.000700E-01 10 816 2.539600E-01 1.677950E-01 1.995440E-01 10 817 2.542300E-01 1.674960E-01 1.990260E-01 10 818 2.545000E-01 1.643000E-01 1.985200E-01 10 819 2.547800E-01 2.126430E-01 1.980220E-01 10 820 2.550500E-01 1.619130E-01 1.975320E-01 10 821 2.553200E-01 1.701620E-01 1.970530E-01 10 822 2.556000E-01 1.268690E-01 1.965810E-01 10 823 2.558700E-01 1.997390E-01 1.961200E-01 10 824 2.561400E-01 2.054330E-01 1.956670E-01 10 825 2.564200E-01 1.884600E-01 1.952210E-01 10 826 2.566900E-01 1.611780E-01 1.947860E-01 10 827 2.569600E-01 1.850470E-01 1.943570E-01 10 828 2.572400E-01 1.635590E-01 1.939380E-01 10 829 2.575100E-01 1.645950E-01 1.935270E-01 10 830 2.577800E-01 1.724960E-01 1.931230E-01 10 831 2.580600E-01 1.752480E-01 1.927280E-01 10 832 2.583300E-01 1.636040E-01 1.923400E-01 10 833 2.586000E-01 1.893910E-01 1.919610E-01 10 834 2.588800E-01 2.273140E-01 1.915880E-01 10 835 2.591500E-01 1.588560E-01 1.912250E-01 10 836 2.594200E-01 1.884150E-01 1.908680E-01 10 837 2.597000E-01 1.541900E-01 1.905180E-01 10 838 2.599700E-01 2.374850E-01 1.901770E-01 10 839 2.602500E-01 1.791500E-01 1.898410E-01 10 840 2.605200E-01 2.322620E-01 1.895140E-01 10 841 2.607900E-01 1.767430E-01 1.891940E-01 10 842 2.610700E-01 2.566340E-01 1.888800E-01 10 843 2.613400E-01 2.217730E-01 1.885740E-01 10 844 2.616100E-01 1.083080E-01 1.882740E-01 10 845 2.618900E-01 1.543290E-01 1.879820E-01 10 846 2.621600E-01 1.581270E-01 1.876960E-01 10 847 2.624300E-01 2.037400E-01 1.874160E-01 10 848 2.627100E-01 1.805440E-01 1.871430E-01 10 849 2.629800E-01 2.012720E-01 1.868760E-01 10 850 2.632500E-01 1.705640E-01 1.866160E-01 10 851 2.635300E-01 2.396170E-01 1.863620E-01 10 852 2.638000E-01 2.062690E-01 1.861140E-01 10 853 2.640700E-01 1.714450E-01 1.858730E-01 10 854 2.643500E-01 1.939870E-01 1.856370E-01 10 855 2.646200E-01 2.369760E-01 1.854080E-01 10 856 2.648900E-01 1.630830E-01 1.851850E-01 10 857 2.651700E-01 1.419820E-01 1.849670E-01 10 858 2.654400E-01 1.694790E-01 1.847550E-01 10 859 2.657100E-01 2.448960E-01 1.845490E-01 10 860 2.659900E-01 2.436420E-01 1.843480E-01 10 861 2.662600E-01 2.471490E-01 1.841540E-01 10 862 2.665300E-01 1.643860E-01 1.839640E-01 10 863 2.668100E-01 1.733170E-01 1.837800E-01 10 864 2.670800E-01 1.656020E-01 1.836020E-01 10 865 2.673500E-01 1.974650E-01 1.834290E-01 10 866 2.676300E-01 1.961910E-01 1.832610E-01 10 867 2.679000E-01 2.291050E-01 1.830980E-01 10 868 2.681700E-01 1.619160E-01 1.829410E-01 10 869 2.684500E-01 1.428560E-01 1.827880E-01 10 870 2.687200E-01 2.120010E-01 1.826410E-01 10 871 2.689900E-01 1.998260E-01 1.824990E-01 10 872 2.692700E-01 1.773910E-01 1.823610E-01 10 873 2.695400E-01 1.984340E-01 1.822290E-01 10 874 2.698100E-01 1.549200E-01 1.821010E-01 10 875 2.700900E-01 1.678470E-01 1.819780E-01 10 876 2.703600E-01 1.826140E-01 1.818590E-01 10 877 2.706300E-01 1.742770E-01 1.817450E-01 10 878 2.709100E-01 1.159200E-01 1.816360E-01 10 879 2.711800E-01 1.915900E-01 1.815310E-01 10 880 2.714500E-01 2.329390E-01 1.814310E-01 10 881 2.717300E-01 1.818920E-01 1.813350E-01 10 882 2.720000E-01 1.358000E-01 1.812440E-01 10 883 2.722700E-01 1.779700E-01 1.811570E-01 10 884 2.725500E-01 1.940550E-01 1.810730E-01 10 885 2.728200E-01 1.796410E-01 1.809950E-01 10 886 2.731000E-01 2.036130E-01 1.809200E-01 10 887 2.733700E-01 1.677710E-01 1.808490E-01 10 888 2.736400E-01 1.744630E-01 1.807830E-01 10 889 2.739200E-01 2.158860E-01 1.807200E-01 10 890 2.741900E-01 1.481430E-01 1.806610E-01 10 891 2.744600E-01 1.875790E-01 1.806060E-01 10 892 2.747400E-01 1.909620E-01 1.805550E-01 10 893 2.750100E-01 1.771910E-01 1.805080E-01 10 894 2.752800E-01 1.716890E-01 1.804650E-01 10 895 2.755600E-01 1.533850E-01 1.804250E-01 10 896 2.758300E-01 1.431730E-01 1.803880E-01 10 897 2.761000E-01 1.277370E-01 1.803560E-01 10 898 2.763800E-01 1.344770E-01 1.803270E-01 10 899 2.766500E-01 1.543240E-01 1.803010E-01 10 900 2.769200E-01 2.037380E-01 1.802780E-01 10 901 2.772000E-01 1.772400E-01 1.802590E-01 10 902 2.774700E-01 1.773180E-01 1.802440E-01 10 903 2.777400E-01 2.193240E-01 1.802310E-01 10 904 2.780200E-01 1.799550E-01 1.802220E-01 10 905 2.782900E-01 2.031890E-01 1.802160E-01 10 906 2.785600E-01 2.357490E-01 1.802130E-01 10 907 2.788400E-01 2.053730E-01 1.802140E-01 10 908 2.791100E-01 1.600920E-01 1.802170E-01 10 909 2.793800E-01 1.675670E-01 1.802230E-01 10 910 2.796600E-01 1.840930E-01 1.802320E-01 10 911 2.799300E-01 1.514520E-01 1.802440E-01 10 912 2.802000E-01 2.091000E-01 1.802590E-01 10 913 2.804800E-01 2.161430E-01 1.802770E-01 10 914 2.807500E-01 1.948770E-01 1.802970E-01 10 915 2.810200E-01 1.675990E-01 1.803200E-01 10 916 2.813000E-01 1.891350E-01 1.803460E-01 10 917 2.815700E-01 2.207880E-01 1.803750E-01 10 918 2.818400E-01 2.122320E-01 1.804060E-01 10 919 2.821200E-01 2.369420E-01 1.804390E-01 10 920 2.823900E-01 2.069260E-01 1.804750E-01 10 921 2.826600E-01 1.969080E-01 1.805140E-01 10 922 2.829400E-01 2.213390E-01 1.805540E-01 10 923 2.832100E-01 1.754530E-01 1.805970E-01 10 924 2.834800E-01 2.585020E-01 1.806430E-01 10 925 2.837600E-01 1.452960E-01 1.806900E-01 10 926 2.840300E-01 1.893110E-01 1.807400E-01 10 927 2.843000E-01 1.483300E-01 1.807920E-01 10 928 2.845800E-01 1.456440E-01 1.808460E-01 10 929 2.848500E-01 1.801690E-01 1.809020E-01 10 930 2.851200E-01 1.653010E-01 1.809600E-01 10 931 2.854000E-01 1.329630E-01 1.810200E-01 10 932 2.856700E-01 1.822720E-01 1.810820E-01 10 933 2.859500E-01 1.775110E-01 1.811460E-01 10 934 2.862200E-01 2.284770E-01 1.812120E-01 10 935 2.864900E-01 2.179810E-01 1.812790E-01 10 936 2.867700E-01 1.778890E-01 1.813490E-01 10 937 2.870400E-01 1.245670E-01 1.814190E-01 10 938 2.873100E-01 1.155190E-01 1.814920E-01 10 939 2.875900E-01 1.397380E-01 1.815660E-01 10 940 2.878600E-01 1.320680E-01 1.816420E-01 10 941 2.881300E-01 2.118760E-01 1.817190E-01 10 942 2.884100E-01 2.099680E-01 1.817980E-01 10 943 2.886800E-01 1.815790E-01 1.818780E-01 10 944 2.889500E-01 2.078500E-01 1.819590E-01 10 945 2.892300E-01 2.188270E-01 1.820420E-01 10 946 2.895000E-01 2.143750E-01 1.821260E-01 10 947 2.897700E-01 1.921620E-01 1.822110E-01 10 948 2.900500E-01 2.137770E-01 1.822980E-01 10 949 2.903200E-01 2.044040E-01 1.823850E-01 10 950 2.905900E-01 2.500710E-01 1.824740E-01 10 951 2.908700E-01 1.840820E-01 1.825630E-01 10 952 2.911400E-01 2.025220E-01 1.826540E-01 10 953 2.914100E-01 1.699220E-01 1.827460E-01 10 954 2.916900E-01 2.081510E-01 1.828380E-01 10 955 2.919600E-01 1.603330E-01 1.829310E-01 10 956 2.922300E-01 1.721390E-01 1.830260E-01 10 957 2.925100E-01 1.837650E-01 1.831210E-01 10 958 2.927800E-01 1.819670E-01 1.832160E-01 10 959 2.930500E-01 1.683050E-01 1.833130E-01 10 960 2.933300E-01 2.099340E-01 1.834090E-01 10 961 2.936000E-01 1.898940E-01 1.835070E-01 10 962 2.938700E-01 1.966650E-01 1.836050E-01 10 963 2.941500E-01 1.333980E-01 1.837040E-01 10 964 2.944200E-01 2.068690E-01 1.838020E-01 10 965 2.946900E-01 2.145500E-01 1.839020E-01 10 966 2.949700E-01 2.114210E-01 1.840010E-01 10 967 2.952400E-01 1.848760E-01 1.841010E-01 10 968 2.955100E-01 2.124370E-01 1.842020E-01 10 969 2.957900E-01 1.851720E-01 1.843020E-01 10 970 2.960600E-01 2.025690E-01 1.844030E-01 10 971 2.963300E-01 1.893520E-01 1.845030E-01 10 972 2.966100E-01 1.627100E-01 1.846040E-01 10 973 2.968800E-01 1.671210E-01 1.847060E-01 10 974 2.971500E-01 1.948360E-01 1.848070E-01 10 975 2.974300E-01 2.080450E-01 1.849090E-01 10 976 2.977000E-01 2.459880E-01 1.850100E-01 10 977 2.979700E-01 2.063130E-01 1.851120E-01 10 978 2.982500E-01 2.611200E-01 1.852140E-01 10 979 2.985200E-01 2.424460E-01 1.853160E-01 10 980 2.988000E-01 2.824520E-01 1.854180E-01 10 981 2.990700E-01 2.211440E-01 1.855200E-01 10 982 2.993400E-01 1.751150E-01 1.856230E-01 10 983 2.996200E-01 1.803730E-01 1.857250E-01 10 984 2.998900E-01 2.142560E-01 1.858280E-01 10 985 3.001600E-01 1.906880E-01 1.859300E-01 10 986 3.004400E-01 1.841570E-01 1.860330E-01 10 987 3.007100E-01 1.503580E-01 1.861350E-01 10 988 3.009800E-01 1.790100E-01 1.862380E-01 10 989 3.012600E-01 1.912950E-01 1.863410E-01 10 990 3.015300E-01 2.101030E-01 1.864430E-01 10 991 3.018000E-01 2.114620E-01 1.865460E-01 10 992 3.020800E-01 1.490360E-01 1.866480E-01 10 993 3.023500E-01 1.624620E-01 1.867510E-01 10 994 3.026200E-01 2.060890E-01 1.868530E-01 10 995 3.029000E-01 1.487970E-01 1.869560E-01 10 996 3.031700E-01 1.771490E-01 1.870580E-01 10 997 3.034400E-01 1.804670E-01 1.871600E-01 10 998 3.037200E-01 2.156700E-01 1.872620E-01 10 999 3.039900E-01 1.378040E-01 1.873640E-01 10 1000 3.042600E-01 1.247010E-01 1.874660E-01 10 1001 3.045400E-01 2.465890E-01 1.875680E-01 10 1002 3.048100E-01 1.836610E-01 1.876690E-01 10 1003 3.050800E-01 1.864860E-01 1.877710E-01 10 1004 3.053600E-01 1.703440E-01 1.878720E-01 10 1005 3.056300E-01 1.490220E-01 1.879730E-01 10 1006 3.059000E-01 1.776040E-01 1.880740E-01 10 1007 3.061800E-01 1.806200E-01 1.881750E-01 10 1008 3.064500E-01 1.925430E-01 1.882750E-01 10 1009 3.067200E-01 1.886120E-01 1.883750E-01 10 1010 3.070000E-01 1.791170E-01 1.884750E-01 10 1011 3.072700E-01 1.291710E-01 1.885750E-01 10 1012 3.075400E-01 1.721590E-01 1.886740E-01 10 1013 3.078200E-01 1.931080E-01 1.887740E-01 10 1014 3.080900E-01 1.520000E-01 1.888720E-01 10 1015 3.083600E-01 2.601170E-01 1.889710E-01 10 1016 3.086400E-01 1.895160E-01 1.890690E-01 10 1017 3.089100E-01 1.710930E-01 1.891670E-01 10 1018 3.091800E-01 2.159820E-01 1.892650E-01 10 1019 3.094600E-01 1.729280E-01 1.893620E-01 10 1020 3.097300E-01 1.698140E-01 1.894590E-01 10 1021 3.100000E-01 1.773290E-01 1.895550E-01 10 1022 3.102800E-01 1.891750E-01 1.896510E-01 10 1023 3.105500E-01 1.907960E-01 1.897470E-01 10 1024 3.108200E-01 2.023990E-01 1.898420E-01 10 1025 3.111000E-01 2.148830E-01 1.899370E-01 10 1026 3.113700E-01 1.982410E-01 1.900310E-01 10 1027 3.116500E-01 2.147750E-01 1.901250E-01 10 1028 3.119200E-01 2.277570E-01 1.902180E-01 10 1029 3.121900E-01 2.212230E-01 1.903110E-01 10 1030 3.124700E-01 2.001080E-01 1.904030E-01 10 1031 3.127400E-01 1.330500E-01 1.904950E-01 10 1032 3.130100E-01 1.816530E-01 1.905870E-01 10 1033 3.132900E-01 1.894220E-01 1.906770E-01 10 1034 3.135600E-01 1.956420E-01 1.907680E-01 10 1035 3.138300E-01 1.919990E-01 1.908580E-01 10 1036 3.141100E-01 1.437200E-01 1.909470E-01 10 1037 3.143800E-01 2.575450E-01 1.910350E-01 10 1038 3.146500E-01 1.928580E-01 1.911230E-01 10 1039 3.149300E-01 1.689000E-01 1.912110E-01 10 1040 3.152000E-01 2.004240E-01 1.912970E-01 10 1041 3.154700E-01 1.754540E-01 1.913830E-01 10 1042 3.157500E-01 1.734500E-01 1.914690E-01 10 1043 3.160200E-01 1.576150E-01 1.915540E-01 10 1044 3.162900E-01 1.880810E-01 1.916380E-01 10 1045 3.165700E-01 1.768330E-01 1.917220E-01 10 1046 3.168400E-01 1.581590E-01 1.918040E-01 10 1047 3.171100E-01 2.043090E-01 1.918860E-01 10 1048 3.173900E-01 2.013860E-01 1.919680E-01 10 1049 3.176600E-01 1.498090E-01 1.920480E-01 10 1050 3.179300E-01 1.711130E-01 1.921280E-01 10 1051 3.182100E-01 2.177220E-01 1.922070E-01 10 1052 3.184800E-01 1.945390E-01 1.922860E-01 10 1053 3.187500E-01 2.065430E-01 1.923630E-01 10 1054 3.190300E-01 2.454210E-01 1.924400E-01 10 1055 3.193000E-01 2.210790E-01 1.925160E-01 10 1056 3.195700E-01 1.970450E-01 1.925910E-01 10 1057 3.198500E-01 2.075760E-01 1.926650E-01 10 1058 3.201200E-01 1.838210E-01 1.927380E-01 10 1059 3.203900E-01 1.449210E-01 1.928110E-01 10 1060 3.206700E-01 1.975280E-01 1.928820E-01 10 1061 3.209400E-01 1.871810E-01 1.929530E-01 10 1062 3.212100E-01 2.408910E-01 1.930230E-01 10 1063 3.214900E-01 2.025130E-01 1.930920E-01 10 1064 3.217600E-01 2.089610E-01 1.931600E-01 10 1065 3.220300E-01 2.082240E-01 1.932270E-01 10 1066 3.223100E-01 1.754320E-01 1.932930E-01 10 1067 3.225800E-01 2.340390E-01 1.933580E-01 10 1068 3.228500E-01 2.182270E-01 1.934220E-01 10 1069 3.231300E-01 2.627680E-01 1.934850E-01 10 1070 3.234000E-01 2.272410E-01 1.935470E-01 10 1071 3.236700E-01 2.015300E-01 1.936080E-01 10 1072 3.239500E-01 2.055340E-01 1.936690E-01 10 1073 3.242200E-01 2.260600E-01 1.937280E-01 10 1074 3.245000E-01 2.165590E-01 1.937860E-01 10 1075 3.247700E-01 2.107270E-01 1.938420E-01 10 1076 3.250400E-01 2.114580E-01 1.938980E-01 10 1077 3.253200E-01 2.218000E-01 1.939530E-01 10 1078 3.255900E-01 1.669760E-01 1.940060E-01 10 1079 3.258600E-01 1.766890E-01 1.940590E-01 10 1080 3.261400E-01 1.418430E-01 1.941100E-01 10 1081 3.264100E-01 1.476720E-01 1.941600E-01 10 1082 3.266800E-01 1.975140E-01 1.942090E-01 10 1083 3.269600E-01 2.219010E-01 1.942570E-01 10 1084 3.272300E-01 1.722280E-01 1.943040E-01 10 1085 3.275000E-01 2.007090E-01 1.943490E-01 10 1086 3.277800E-01 2.251010E-01 1.943930E-01 10 1087 3.280500E-01 2.354050E-01 1.944360E-01 10 1088 3.283200E-01 1.747140E-01 1.944780E-01 10 1089 3.286000E-01 1.947920E-01 1.945190E-01 10 1090 3.288700E-01 1.784360E-01 1.945580E-01 10 1091 3.291400E-01 1.477380E-01 1.945960E-01 10 1092 3.294200E-01 1.242440E-01 1.946320E-01 10 1093 3.296900E-01 1.559870E-01 1.946680E-01 10 1094 3.299600E-01 1.635090E-01 1.947020E-01 10 1095 3.302400E-01 2.218970E-01 1.947340E-01 10 1096 3.305100E-01 2.016970E-01 1.947660E-01 10 1097 3.307800E-01 2.107860E-01 1.947960E-01 10 1098 3.310600E-01 1.968410E-01 1.948240E-01 10 1099 3.313300E-01 2.429180E-01 1.948510E-01 10 1100 3.316000E-01 1.842780E-01 1.948770E-01 10 1101 3.318800E-01 1.835530E-01 1.949010E-01 10 1102 3.321500E-01 1.678540E-01 1.949240E-01 10 1103 3.324200E-01 1.517080E-01 1.949460E-01 10 1104 3.327000E-01 1.859360E-01 1.949660E-01 10 1105 3.329700E-01 1.486020E-01 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3.447300E-01 2.312020E-01 1.942900E-01 10 1149 3.450000E-01 2.025860E-01 1.942390E-01 10 1150 3.452700E-01 1.894660E-01 1.941860E-01 10 1151 3.455500E-01 1.819000E-01 1.941320E-01 10 1152 3.458200E-01 1.656640E-01 1.940770E-01 10 1153 3.460900E-01 1.756260E-01 1.940200E-01 10 1154 3.463700E-01 1.748250E-01 1.939620E-01 10 1155 3.466400E-01 1.646520E-01 1.939020E-01 10 1156 3.469100E-01 1.092170E-01 1.938410E-01 10 1157 3.471900E-01 1.766730E-01 1.937790E-01 10 1158 3.474600E-01 2.002280E-01 1.937140E-01 10 1159 3.477300E-01 1.722860E-01 1.936490E-01 10 1160 3.480100E-01 1.848340E-01 1.935820E-01 10 1161 3.482800E-01 1.532690E-01 1.935130E-01 10 1162 3.485500E-01 1.684800E-01 1.934440E-01 10 1163 3.488300E-01 1.917820E-01 1.933720E-01 10 1164 3.491000E-01 1.907670E-01 1.933000E-01 10 1165 3.493700E-01 2.091860E-01 1.932260E-01 10 1166 3.496500E-01 2.560790E-01 1.931500E-01 10 1167 3.499200E-01 2.609680E-01 1.930740E-01 10 1168 3.502000E-01 2.316980E-01 1.929950E-01 10 1169 3.504700E-01 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3.679700E-01 1.424900E-01 1.853230E-01 10 1234 3.682400E-01 1.407310E-01 1.851710E-01 10 1235 3.685100E-01 1.391490E-01 1.850170E-01 10 1236 3.687900E-01 2.007550E-01 1.848630E-01 10 1237 3.690600E-01 1.721230E-01 1.847090E-01 10 1238 3.693300E-01 1.790690E-01 1.845520E-01 10 1239 3.696100E-01 2.324600E-01 1.843960E-01 10 1240 3.698800E-01 1.624330E-01 1.842380E-01 10 1241 3.701500E-01 1.396910E-01 1.840800E-01 10 1242 3.704300E-01 1.908540E-01 1.839200E-01 10 1243 3.707000E-01 1.703640E-01 1.837610E-01 10 1244 3.709700E-01 1.747760E-01 1.836000E-01 10 1245 3.712500E-01 1.787300E-01 1.834380E-01 10 1246 3.715200E-01 2.002050E-01 1.832760E-01 10 1247 3.717900E-01 2.089530E-01 1.831120E-01 10 1248 3.720700E-01 1.433440E-01 1.829490E-01 10 1249 3.723400E-01 1.625930E-01 1.827840E-01 10 1250 3.726100E-01 1.149510E-01 1.826180E-01 10 1251 3.728900E-01 1.716460E-01 1.824520E-01 10 1252 3.731600E-01 1.546620E-01 1.822850E-01 10 1253 3.734300E-01 1.240070E-01 1.821180E-01 10 1254 3.737100E-01 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1.782560E-01 10 1276 3.797200E-01 1.849270E-01 1.780740E-01 10 1277 3.800000E-01 2.470070E-01 1.778900E-01 10 1278 3.802700E-01 1.878050E-01 1.777070E-01 10 1279 3.805400E-01 1.620210E-01 1.775230E-01 10 1280 3.808200E-01 2.025420E-01 1.773370E-01 10 1281 3.810900E-01 2.031750E-01 1.771520E-01 10 1282 3.813600E-01 2.048020E-01 1.769660E-01 10 1283 3.816400E-01 1.386650E-01 1.767800E-01 10 1284 3.819100E-01 1.706700E-01 1.765930E-01 10 1285 3.821800E-01 2.155720E-01 1.764050E-01 10 1286 3.824600E-01 2.259660E-01 1.762170E-01 10 1287 3.827300E-01 2.222180E-01 1.760280E-01 10 1288 3.830000E-01 1.978660E-01 1.758400E-01 10 1289 3.832800E-01 2.268550E-01 1.756500E-01 10 1290 3.835500E-01 2.304470E-01 1.754600E-01 10 1291 3.838200E-01 1.619580E-01 1.752700E-01 10 1292 3.841000E-01 1.478220E-01 1.750790E-01 10 1293 3.843700E-01 2.173590E-01 1.748870E-01 10 1294 3.846400E-01 1.630270E-01 1.746950E-01 10 1295 3.849200E-01 1.555900E-01 1.745030E-01 10 1296 3.851900E-01 2.222800E-01 1.743110E-01 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3.912100E-01 1.529060E-01 1.699670E-01 10 1319 3.914800E-01 1.594290E-01 1.697650E-01 10 1320 3.917500E-01 1.464290E-01 1.695630E-01 10 1321 3.920300E-01 1.416550E-01 1.693610E-01 10 1322 3.923000E-01 1.927710E-01 1.691590E-01 10 1323 3.925700E-01 1.711540E-01 1.689560E-01 10 1324 3.928500E-01 1.396170E-01 1.687530E-01 10 1325 3.931200E-01 1.752770E-01 1.685500E-01 10 1326 3.933900E-01 1.616960E-01 1.683460E-01 10 1327 3.936700E-01 1.084410E-01 1.681420E-01 10 1328 3.939400E-01 1.655180E-01 1.679380E-01 10 1329 3.942100E-01 2.070650E-01 1.677330E-01 10 1330 3.944900E-01 1.682270E-01 1.675290E-01 10 1331 3.947600E-01 1.475290E-01 1.673240E-01 10 1332 3.950300E-01 2.243570E-01 1.671180E-01 10 1333 3.953100E-01 1.922230E-01 1.669130E-01 10 1334 3.955800E-01 3.190960E-01 1.667070E-01 10 1335 3.958500E-01 2.049170E-01 1.665010E-01 10 1336 3.961300E-01 9.853030E-02 1.662950E-01 10 1337 3.964000E-01 1.955860E-01 1.660890E-01 10 1338 3.966700E-01 1.809390E-01 1.658820E-01 10 1339 3.969500E-01 1.277690E-01 1.656750E-01 10 1340 3.972200E-01 1.459480E-01 1.654680E-01 10 1341 3.974900E-01 1.412860E-01 1.652610E-01 10 1342 3.977700E-01 1.783950E-01 1.650540E-01 10 1343 3.980400E-01 1.636840E-01 1.648460E-01 10 1344 3.983100E-01 1.781640E-01 1.646380E-01 10 1345 3.985900E-01 1.290870E-01 1.644300E-01 10 1346 3.988600E-01 1.383470E-01 1.642220E-01 10 1347 3.991300E-01 1.932490E-01 1.640140E-01 10 1348 3.994100E-01 1.488600E-01 1.638050E-01 10 1349 3.996800E-01 1.785970E-01 1.635960E-01 10 1350 3.999500E-01 1.980290E-01 1.633880E-01 10 1351 4.002300E-01 1.701740E-01 1.631780E-01 10 1352 4.005000E-01 1.044410E-01 1.629700E-01 10 1353 4.007700E-01 1.464100E-01 1.627610E-01 10 1354 4.010500E-01 1.924480E-01 1.625510E-01 10 1355 4.013200E-01 1.414980E-01 1.623420E-01 10 1356 4.016000E-01 2.007940E-01 1.621310E-01 10 1357 4.018700E-01 1.904190E-01 1.619220E-01 10 1358 4.021400E-01 1.525120E-01 1.617120E-01 10 1359 4.024200E-01 1.790330E-01 1.615020E-01 10 1360 4.026900E-01 2.220610E-01 1.612920E-01 10 1361 4.029600E-01 1.961130E-01 1.610810E-01 10 1362 4.032400E-01 1.590810E-01 1.608710E-01 10 1363 4.035100E-01 1.330300E-01 1.606610E-01 10 1364 4.037800E-01 1.272590E-01 1.604500E-01 10 1365 4.040600E-01 1.592570E-01 1.602400E-01 10 1366 4.043300E-01 1.906800E-01 1.600290E-01 10 1367 4.046000E-01 1.550680E-01 1.598180E-01 10 1368 4.048800E-01 1.670860E-01 1.596080E-01 10 1369 4.051500E-01 1.858570E-01 1.593960E-01 10 1370 4.054200E-01 1.735740E-01 1.591860E-01 10 1371 4.057000E-01 1.648380E-01 1.589740E-01 10 1372 4.059700E-01 5.683150E-02 1.587640E-01 10 1373 4.062400E-01 5.381230E-02 1.585530E-01 10 1374 4.065200E-01 5.139330E-02 1.583410E-01 10 1375 4.067900E-01 4.655980E-02 1.581300E-01 10 1376 4.070600E-01 1.286830E-02 1.579180E-01 10 1377 4.073400E-01 8.889280E-02 1.577070E-01 10 1378 4.076100E-01 1.620500E-01 1.574960E-01 10 1379 4.078800E-01 1.986500E-01 1.572850E-01 10 1380 4.081600E-01 1.772390E-01 1.570740E-01 10 1381 4.084300E-01 1.771740E-01 1.568620E-01 10 1382 4.087000E-01 1.996010E-01 1.566510E-01 10 1383 4.089800E-01 1.728370E-01 1.564390E-01 10 1384 4.092500E-01 1.630920E-01 1.562280E-01 10 1385 4.095200E-01 1.531240E-01 1.560170E-01 10 1386 4.098000E-01 1.503200E-01 1.558050E-01 10 1387 4.100700E-01 1.423110E-01 1.555940E-01 10 1388 4.103400E-01 1.313570E-01 1.553820E-01 10 1389 4.106200E-01 1.222000E-01 1.551710E-01 10 1390 4.108900E-01 1.129920E-01 1.549600E-01 10 1391 4.111600E-01 1.301290E-01 1.547480E-01 10 1392 4.114400E-01 1.655160E-01 1.545380E-01 10 1393 4.117100E-01 1.780100E-01 1.543260E-01 10 1394 4.119800E-01 1.389470E-01 1.541150E-01 10 1395 4.122600E-01 1.345760E-01 1.539040E-01 10 1396 4.125300E-01 1.355770E-01 1.536930E-01 10 1397 4.128000E-01 1.458190E-01 1.534820E-01 10 1398 4.130800E-01 1.708130E-01 1.532710E-01 10 1399 4.133500E-01 1.617950E-01 1.530600E-01 10 1400 4.136200E-01 1.336800E-01 1.528500E-01 10 1401 4.139000E-01 1.063060E-01 1.526380E-01 10 1402 4.141700E-01 1.248580E-01 1.524280E-01 10 1403 4.144500E-01 1.694050E-01 1.522170E-01 10 1404 4.147200E-01 1.570550E-01 1.520070E-01 10 1405 4.149900E-01 1.424440E-01 1.517970E-01 10 1406 4.152700E-01 1.416340E-01 1.515860E-01 10 1407 4.155400E-01 1.424500E-01 1.513760E-01 10 1408 4.158100E-01 1.382460E-01 1.511650E-01 10 1409 4.160900E-01 1.599540E-01 1.509550E-01 10 1410 4.163600E-01 1.379840E-01 1.507460E-01 10 1411 4.166300E-01 1.556910E-01 1.505350E-01 10 1412 4.169100E-01 1.383080E-01 1.503260E-01 10 1413 4.171800E-01 1.401280E-01 1.501160E-01 10 1414 4.174500E-01 1.340920E-01 1.499070E-01 10 1415 4.177300E-01 1.307720E-01 1.496980E-01 10 1416 4.180000E-01 1.419850E-01 1.494880E-01 10 1417 4.182700E-01 1.306200E-01 1.492790E-01 10 1418 4.185500E-01 1.384500E-01 1.490700E-01 10 1419 4.188200E-01 1.229700E-01 1.488610E-01 10 1420 4.190900E-01 1.409120E-01 1.486530E-01 10 1421 4.193700E-01 1.224150E-01 1.484440E-01 10 1422 4.196400E-01 1.149150E-01 1.482350E-01 10 1423 4.199100E-01 1.437680E-01 1.480270E-01 10 1424 4.201900E-01 1.367040E-01 1.478190E-01 10 1425 4.204600E-01 1.267960E-01 1.476100E-01 10 1426 4.207300E-01 1.299010E-01 1.474030E-01 10 1427 4.210100E-01 1.422130E-01 1.471960E-01 10 1428 4.212800E-01 1.674280E-01 1.469880E-01 10 1429 4.215500E-01 1.490880E-01 1.467810E-01 10 1430 4.218300E-01 1.419330E-01 1.465730E-01 10 1431 4.221000E-01 1.467540E-01 1.463660E-01 10 1432 4.223700E-01 1.573180E-01 1.461600E-01 10 1433 4.226500E-01 1.451660E-01 1.459530E-01 10 1434 4.229200E-01 1.732530E-01 1.457470E-01 10 1435 4.231900E-01 1.739580E-01 1.455400E-01 10 1436 4.234700E-01 1.622680E-01 1.453350E-01 10 1437 4.237400E-01 1.597410E-01 1.451290E-01 10 1438 4.240100E-01 1.783860E-01 1.449230E-01 10 1439 4.242900E-01 1.457970E-01 1.447180E-01 10 1440 4.245600E-01 1.388450E-01 1.445120E-01 10 1441 4.248300E-01 1.645950E-01 1.443080E-01 10 1442 4.251100E-01 1.853970E-01 1.441040E-01 10 1443 4.253800E-01 1.676160E-01 1.438990E-01 10 1444 4.256500E-01 1.388820E-01 1.436950E-01 10 1445 4.259300E-01 1.481550E-01 1.434910E-01 10 1446 4.262000E-01 1.234320E-01 1.432870E-01 10 1447 4.264700E-01 1.280380E-01 1.430840E-01 10 1448 4.267500E-01 1.272460E-01 1.428810E-01 10 1449 4.270200E-01 1.669530E-01 1.426780E-01 10 1450 4.273000E-01 1.248480E-01 1.424750E-01 10 1451 4.275700E-01 1.366160E-01 1.422730E-01 10 1452 4.278400E-01 1.310290E-01 1.420720E-01 10 1453 4.281200E-01 1.388350E-01 1.418700E-01 10 1454 4.283900E-01 1.105470E-01 1.416690E-01 10 1455 4.286600E-01 1.270380E-01 1.414670E-01 10 1456 4.289400E-01 1.423480E-01 1.412670E-01 10 1457 4.292100E-01 1.514510E-01 1.410670E-01 10 1458 4.294800E-01 1.520810E-01 1.408660E-01 10 1459 4.297600E-01 1.493970E-01 1.406670E-01 10 1460 4.300300E-01 1.494060E-01 1.404670E-01 10 1461 4.303000E-01 1.574630E-01 1.402680E-01 10 1462 4.305800E-01 1.794740E-01 1.400700E-01 10 1463 4.308500E-01 1.668100E-01 1.398710E-01 10 1464 4.311200E-01 1.373340E-01 1.396730E-01 10 1465 4.314000E-01 1.460950E-01 1.394750E-01 10 1466 4.316700E-01 1.447570E-01 1.392780E-01 10 1467 4.319400E-01 1.484440E-01 1.390810E-01 10 1468 4.322200E-01 1.223740E-01 1.388840E-01 10 1469 4.324900E-01 1.402170E-01 1.386880E-01 10 1470 4.327600E-01 1.258710E-01 1.384920E-01 10 1471 4.330400E-01 1.345260E-01 1.382970E-01 10 1472 4.333100E-01 1.296200E-01 1.381020E-01 10 1473 4.335800E-01 1.239460E-01 1.379070E-01 10 1474 4.338600E-01 1.470400E-01 1.377130E-01 10 1475 4.341300E-01 1.416870E-01 1.375190E-01 10 1476 4.344000E-01 1.387170E-01 1.373260E-01 10 1477 4.346800E-01 1.722270E-01 1.371320E-01 10 1478 4.349500E-01 1.542090E-01 1.369400E-01 10 1479 4.352200E-01 1.367340E-01 1.367480E-01 10 1480 4.355000E-01 1.401790E-01 1.365560E-01 10 1481 4.357700E-01 1.229250E-01 1.363650E-01 10 1482 4.360400E-01 1.440380E-01 1.361730E-01 10 1483 4.363200E-01 1.476160E-01 1.359830E-01 10 1484 4.365900E-01 1.232990E-01 1.357930E-01 10 1485 4.368600E-01 1.401970E-01 1.356030E-01 10 1486 4.371400E-01 1.498560E-01 1.354140E-01 10 1487 4.374100E-01 1.497570E-01 1.352250E-01 10 1488 4.376800E-01 1.320380E-01 1.350370E-01 10 1489 4.379600E-01 1.493890E-01 1.348500E-01 10 1490 4.382300E-01 1.224360E-01 1.346620E-01 10 1491 4.385000E-01 1.280510E-01 1.344750E-01 10 1492 4.387800E-01 1.292480E-01 1.342890E-01 10 1493 4.390500E-01 1.320690E-01 1.341030E-01 10 1494 4.393200E-01 1.336230E-01 1.339180E-01 10 1495 4.396000E-01 1.228050E-01 1.337320E-01 10 1496 4.398700E-01 1.378570E-01 1.335480E-01 10 1497 4.401500E-01 1.327070E-01 1.333640E-01 10 1498 4.404200E-01 1.294040E-01 1.331810E-01 10 1499 4.406900E-01 1.359520E-01 1.329980E-01 10 1500 4.409700E-01 1.607480E-01 1.328150E-01 10 1501 4.412400E-01 1.392190E-01 1.326330E-01 10 1502 4.415100E-01 1.288210E-01 1.324510E-01 10 1503 4.417900E-01 1.395660E-01 1.322710E-01 10 1504 4.420600E-01 1.329370E-01 1.320910E-01 10 1505 4.423300E-01 1.520240E-01 1.319100E-01 10 1506 4.426100E-01 1.429060E-01 1.317310E-01 10 1507 4.428800E-01 1.336640E-01 1.315520E-01 10 1508 4.431500E-01 1.641830E-01 1.313740E-01 10 1509 4.434300E-01 1.476720E-01 1.311960E-01 10 1510 4.437000E-01 1.421180E-01 1.310190E-01 10 1511 4.439700E-01 1.215160E-01 1.308420E-01 10 1512 4.442500E-01 1.173010E-01 1.306660E-01 10 1513 4.445200E-01 1.234240E-01 1.304900E-01 10 1514 4.447900E-01 1.388570E-01 1.303150E-01 10 1515 4.450700E-01 1.444430E-01 1.301410E-01 10 1516 4.453400E-01 1.170150E-01 1.299670E-01 10 1517 4.456100E-01 1.296410E-01 1.297930E-01 10 1518 4.458900E-01 1.546930E-01 1.296200E-01 10 1519 4.461600E-01 1.339550E-01 1.294480E-01 10 1520 4.464300E-01 1.129740E-01 1.292760E-01 10 1521 4.467100E-01 1.128010E-01 1.291060E-01 10 1522 4.469800E-01 1.336100E-01 1.289350E-01 10 1523 4.472500E-01 1.455690E-01 1.287650E-01 10 1524 4.475300E-01 1.307130E-01 1.285950E-01 10 1525 4.478000E-01 1.405690E-01 1.284270E-01 10 1526 4.480700E-01 1.350100E-01 1.282590E-01 10 1527 4.483500E-01 1.302250E-01 1.280910E-01 10 1528 4.486200E-01 1.453520E-01 1.279240E-01 10 1529 4.488900E-01 1.494670E-01 1.277570E-01 10 1530 4.491700E-01 1.379020E-01 1.275920E-01 10 1531 4.494400E-01 1.404010E-01 1.274270E-01 10 1532 4.497100E-01 1.590380E-01 1.272620E-01 10 1533 4.499900E-01 1.508650E-01 1.270980E-01 10 1534 4.502600E-01 1.266830E-01 1.269350E-01 10 1535 4.505300E-01 1.470260E-01 1.267720E-01 10 1536 4.508100E-01 1.101550E-01 1.266110E-01 10 1537 4.510800E-01 1.577640E-01 1.264490E-01 10 1538 4.513500E-01 1.562030E-01 1.262880E-01 10 1539 4.516300E-01 1.430160E-01 1.261280E-01 10 1540 4.519000E-01 1.346580E-01 1.259680E-01 10 1541 4.521700E-01 1.313560E-01 1.258100E-01 10 1542 4.524500E-01 1.202820E-01 1.256510E-01 10 1543 4.527200E-01 1.243310E-01 1.254940E-01 10 1544 4.530000E-01 1.372180E-01 1.253360E-01 10 1545 4.532700E-01 1.135720E-01 1.251800E-01 10 1546 4.535400E-01 1.151360E-01 1.250250E-01 10 1547 4.538200E-01 1.435810E-01 1.248700E-01 10 1548 4.540900E-01 1.309320E-01 1.247160E-01 10 1549 4.543600E-01 1.430430E-01 1.245610E-01 10 1550 4.546400E-01 1.576340E-01 1.244090E-01 10 1551 4.549100E-01 1.449280E-01 1.242570E-01 10 1552 4.551800E-01 1.162610E-01 1.241050E-01 10 1553 4.554600E-01 1.258220E-01 1.239540E-01 10 1554 4.557300E-01 1.279410E-01 1.238030E-01 10 1555 4.560000E-01 1.106390E-01 1.236540E-01 10 1556 4.562800E-01 1.374580E-01 1.235050E-01 10 1557 4.565500E-01 1.312630E-01 1.233560E-01 10 1558 4.568200E-01 1.105510E-01 1.232090E-01 10 1559 4.571000E-01 9.726470E-02 1.230620E-01 10 1560 4.573700E-01 1.072840E-01 1.229160E-01 10 1561 4.576400E-01 1.352200E-01 1.227700E-01 10 1562 4.579200E-01 1.273380E-01 1.226250E-01 10 1563 4.581900E-01 1.336880E-01 1.224820E-01 10 1564 4.584600E-01 1.309360E-01 1.223380E-01 10 1565 4.587400E-01 1.270210E-01 1.221950E-01 10 1566 4.590100E-01 1.309090E-01 1.220530E-01 10 1567 4.592800E-01 1.386940E-01 1.219120E-01 10 1568 4.595600E-01 1.027720E-01 1.217720E-01 10 1569 4.598300E-01 1.312340E-01 1.216310E-01 10 1570 4.601000E-01 1.169880E-01 1.214920E-01 10 1571 4.603800E-01 1.268980E-01 1.213540E-01 10 1572 4.606500E-01 1.239400E-01 1.212160E-01 10 1573 4.609200E-01 1.180770E-01 1.210800E-01 10 1574 4.612000E-01 1.270250E-01 1.209430E-01 10 1575 4.614700E-01 1.188030E-01 1.208080E-01 10 1576 4.617400E-01 1.251420E-01 1.206730E-01 10 1577 4.620200E-01 1.429070E-01 1.205390E-01 10 1578 4.622900E-01 1.551820E-01 1.204060E-01 10 1579 4.625600E-01 1.403260E-01 1.202730E-01 10 1580 4.628400E-01 1.334330E-01 1.201410E-01 10 1581 4.631100E-01 1.171580E-01 1.200100E-01 10 1582 4.633800E-01 1.133790E-01 1.198800E-01 10 1583 4.636600E-01 1.213120E-01 1.197500E-01 10 1584 4.639300E-01 1.519480E-01 1.196210E-01 10 1585 4.642000E-01 1.337200E-01 1.194940E-01 10 1586 4.644800E-01 1.167380E-01 1.193660E-01 10 1587 4.647500E-01 1.261530E-01 1.192400E-01 10 1588 4.650200E-01 1.119250E-01 1.191140E-01 10 1589 4.653000E-01 1.078780E-01 1.189890E-01 10 1590 4.655700E-01 1.069640E-01 1.188650E-01 10 1591 4.658500E-01 1.404980E-01 1.187410E-01 10 1592 4.661200E-01 1.210170E-01 1.186180E-01 10 1593 4.663900E-01 1.110430E-01 1.184960E-01 10 1594 4.666700E-01 1.277800E-01 1.183740E-01 10 1595 4.669400E-01 1.468610E-01 1.182540E-01 10 1596 4.672100E-01 1.272290E-01 1.181340E-01 10 1597 4.674900E-01 1.428420E-01 1.180150E-01 10 1598 4.677600E-01 1.304560E-01 1.178960E-01 10 1599 4.680300E-01 1.300220E-01 1.177780E-01 10 1600 4.683100E-01 1.494770E-01 1.176610E-01 10 1601 4.685800E-01 1.197250E-01 1.175450E-01 10 1602 4.688500E-01 1.293060E-01 1.174290E-01 10 1603 4.691300E-01 1.423070E-01 1.173140E-01 10 1604 4.694000E-01 1.299340E-01 1.172000E-01 10 1605 4.696700E-01 1.244860E-01 1.170860E-01 10 1606 4.699500E-01 1.263840E-01 1.169730E-01 10 1607 4.702200E-01 1.121680E-01 1.168610E-01 10 1608 4.704900E-01 1.377150E-01 1.167490E-01 10 1609 4.707700E-01 1.468470E-01 1.166380E-01 10 1610 4.710400E-01 1.240920E-01 1.165280E-01 10 1611 4.713100E-01 1.068300E-01 1.164180E-01 10 1612 4.715900E-01 1.077100E-01 1.163090E-01 10 1613 4.718600E-01 1.091470E-01 1.162010E-01 10 1614 4.721300E-01 1.037020E-01 1.160930E-01 10 1615 4.724100E-01 1.410520E-01 1.159860E-01 10 1616 4.726800E-01 1.065400E-01 1.158800E-01 10 1617 4.729500E-01 1.015680E-01 1.157740E-01 10 1618 4.732300E-01 1.001770E-01 1.156690E-01 10 1619 4.735000E-01 1.087290E-01 1.155650E-01 10 1620 4.737700E-01 9.711410E-02 1.154610E-01 10 1621 4.740500E-01 1.009070E-01 1.153580E-01 10 1622 4.743200E-01 9.639700E-02 1.152560E-01 10 1623 4.745900E-01 1.008480E-01 1.151530E-01 10 1624 4.748700E-01 1.013650E-01 1.150520E-01 10 1625 4.751400E-01 1.289550E-01 1.149520E-01 10 1626 4.754100E-01 1.071730E-01 1.148520E-01 10 1627 4.756900E-01 1.145660E-01 1.147520E-01 10 1628 4.759600E-01 1.098710E-01 1.146540E-01 10 1629 4.762300E-01 1.266680E-01 1.145560E-01 10 1630 4.765100E-01 1.088980E-01 1.144580E-01 10 1631 4.767800E-01 1.169420E-01 1.143610E-01 10 1632 4.770500E-01 9.431370E-02 1.142650E-01 10 1633 4.773300E-01 1.059790E-01 1.141690E-01 10 1634 4.776000E-01 1.038350E-01 1.140740E-01 10 1635 4.778700E-01 9.052260E-02 1.139790E-01 10 1636 4.781500E-01 1.145820E-01 1.138850E-01 10 1637 4.784200E-01 1.203230E-01 1.137920E-01 10 1638 4.787000E-01 1.352410E-01 1.136990E-01 10 1639 4.789700E-01 1.181590E-01 1.136070E-01 10 1640 4.792400E-01 1.122010E-01 1.135160E-01 10 1641 4.795200E-01 1.092020E-01 1.134240E-01 10 1642 4.797900E-01 1.079950E-01 1.133340E-01 10 1643 4.800600E-01 1.089170E-01 1.132440E-01 10 1644 4.803400E-01 1.112970E-01 1.131550E-01 10 1645 4.806100E-01 1.086180E-01 1.130660E-01 10 1646 4.808800E-01 1.165490E-01 1.129780E-01 10 1647 4.811600E-01 1.026680E-01 1.128900E-01 10 1648 4.814300E-01 1.123990E-01 1.128030E-01 10 1649 4.817000E-01 1.174960E-01 1.127170E-01 10 1650 4.819800E-01 1.130110E-01 1.126310E-01 10 1651 4.822500E-01 1.221030E-01 1.125450E-01 10 1652 4.825200E-01 1.303560E-01 1.124610E-01 10 1653 4.828000E-01 1.041310E-01 1.123760E-01 10 1654 4.830700E-01 1.142800E-01 1.122930E-01 10 1655 4.833400E-01 1.342090E-01 1.122090E-01 10 1656 4.836200E-01 1.283310E-01 1.121270E-01 10 1657 4.838900E-01 1.109040E-01 1.120450E-01 10 1658 4.841600E-01 1.282010E-01 1.119630E-01 10 1659 4.844400E-01 1.415460E-01 1.118820E-01 10 1660 4.847100E-01 1.294940E-01 1.118010E-01 10 1661 4.849800E-01 9.478090E-02 1.117210E-01 10 1662 4.852600E-01 8.833590E-02 1.116420E-01 10 1663 4.855300E-01 1.002510E-01 1.115630E-01 10 1664 4.858000E-01 1.080600E-01 1.114840E-01 10 1665 4.860800E-01 1.258600E-01 1.114060E-01 10 1666 4.863500E-01 1.135470E-01 1.113290E-01 10 1667 4.866200E-01 1.109240E-01 1.112520E-01 10 1668 4.869000E-01 1.191620E-01 1.111760E-01 10 1669 4.871700E-01 1.107050E-01 1.111000E-01 10 1670 4.874400E-01 1.117030E-01 1.110240E-01 10 1671 4.877200E-01 1.045850E-01 1.109490E-01 10 1672 4.879900E-01 1.180130E-01 1.108750E-01 10 1673 4.882600E-01 1.296180E-01 1.108010E-01 10 1674 4.885400E-01 1.271060E-01 1.107280E-01 10 1675 4.888100E-01 1.106390E-01 1.106550E-01 10 1676 4.890800E-01 1.217690E-01 1.105820E-01 10 1677 4.893600E-01 1.173920E-01 1.105110E-01 10 1678 4.896300E-01 1.078410E-01 1.104390E-01 10 1679 4.899000E-01 1.306600E-01 1.103680E-01 10 1680 4.901800E-01 1.035980E-01 1.102970E-01 10 1681 4.904500E-01 9.813780E-02 1.102270E-01 10 1682 4.907200E-01 1.033810E-01 1.101580E-01 10 1683 4.910000E-01 9.184570E-02 1.100890E-01 10 1684 4.912700E-01 8.777570E-02 1.100200E-01 10 1685 4.915500E-01 8.089970E-02 1.099520E-01 10 1686 4.918200E-01 1.011960E-01 1.098850E-01 10 1687 4.920900E-01 8.476150E-02 1.098170E-01 10 1688 4.923700E-01 9.740040E-02 1.097510E-01 10 1689 4.926400E-01 1.112540E-01 1.096840E-01 10 1690 4.929100E-01 1.335210E-01 1.096180E-01 10 1691 4.931900E-01 1.070830E-01 1.095530E-01 10 1692 4.934600E-01 1.199640E-01 1.094880E-01 10 1693 4.937300E-01 1.093170E-01 1.094240E-01 10 1694 4.940100E-01 1.120620E-01 1.093600E-01 10 1695 4.942800E-01 1.078920E-01 1.092960E-01 10 1696 4.945500E-01 6.293410E-02 1.092330E-01 10 1697 4.948300E-01 1.049290E-01 1.091710E-01 10 1698 4.951000E-01 1.016200E-01 1.091080E-01 10 1699 4.953700E-01 1.359510E-01 1.090470E-01 10 1700 4.956500E-01 1.402120E-01 1.089850E-01 10 1701 4.959200E-01 1.078450E-01 1.089240E-01 10 1702 4.961900E-01 1.087710E-01 1.088640E-01 10 1703 4.964700E-01 8.948730E-02 1.088040E-01 10 1704 4.967400E-01 9.644680E-02 1.087440E-01 10 1705 4.970100E-01 9.927330E-02 1.086850E-01 10 1706 4.972900E-01 1.238510E-01 1.086260E-01 10 1707 4.975600E-01 1.409860E-01 1.085680E-01 10 1708 4.978300E-01 1.209760E-01 1.085100E-01 10 1709 4.981100E-01 9.642320E-02 1.084520E-01 10 1710 4.983800E-01 1.102420E-01 1.083950E-01 10 1711 4.986500E-01 8.755270E-02 1.083390E-01 10 1712 4.989300E-01 1.160010E-01 1.082820E-01 10 1713 4.992000E-01 1.095020E-01 1.082260E-01 10 1714 4.994700E-01 9.610930E-02 1.081710E-01 10 1715 4.997500E-01 1.007080E-01 1.081160E-01 10 1716 5.000200E-01 1.027980E-01 1.080610E-01 10 1717 5.002900E-01 1.310830E-01 1.080070E-01 10 1718 5.005700E-01 1.201680E-01 1.079530E-01 10 1719 5.008400E-01 1.107920E-01 1.079000E-01 10 1720 5.011100E-01 1.055210E-01 1.078470E-01 10 1721 5.013900E-01 9.842970E-02 1.077940E-01 10 1722 5.016600E-01 1.134680E-01 1.077420E-01 10 1723 5.019300E-01 1.452840E-01 1.076900E-01 10 1724 5.022100E-01 1.327130E-01 1.076380E-01 10 1725 5.024800E-01 1.435670E-01 1.075870E-01 10 1726 5.027500E-01 1.299080E-01 1.075370E-01 10 1727 5.030300E-01 1.099130E-01 1.074860E-01 10 1728 5.033000E-01 9.428060E-02 1.074360E-01 10 1729 5.035700E-01 9.823360E-02 1.073870E-01 10 1730 5.038500E-01 1.158100E-01 1.073380E-01 10 1731 5.041200E-01 1.327260E-01 1.072890E-01 10 1732 5.044000E-01 1.082930E-01 1.072400E-01 10 1733 5.046700E-01 1.164070E-01 1.071920E-01 10 1734 5.049400E-01 1.292750E-01 1.071450E-01 10 1735 5.052200E-01 1.263740E-01 1.070970E-01 10 1736 5.054900E-01 8.010070E-02 1.070500E-01 10 1737 5.057600E-01 1.120870E-01 1.070040E-01 10 1738 5.060400E-01 1.000290E-01 1.069570E-01 # data_SASDAG2_FIT_11 # _sas_model_fitting_details.id 11 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 0.844561 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 15 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 11 1 8.712520E-03 4.006800E+00 1.201470E+01 11 2 8.985920E-03 1.203100E+01 1.201120E+01 11 3 9.259320E-03 1.337720E+01 1.200780E+01 11 4 9.532730E-03 1.314940E+01 1.200430E+01 11 5 9.806130E-03 1.147260E+01 1.200090E+01 11 6 1.007950E-02 9.348760E+00 1.199670E+01 11 7 1.035290E-02 1.000240E+01 1.199100E+01 11 8 1.062630E-02 1.058160E+01 1.198530E+01 11 9 1.089980E-02 1.034460E+01 1.197960E+01 11 10 1.117320E-02 1.158220E+01 1.197390E+01 11 11 1.144660E-02 1.198130E+01 1.196820E+01 11 12 1.172000E-02 1.249230E+01 1.196240E+01 11 13 1.199340E-02 1.251920E+01 1.195670E+01 11 14 1.226680E-02 1.140400E+01 1.195100E+01 11 15 1.254020E-02 1.104530E+01 1.194530E+01 11 16 1.281360E-02 1.053930E+01 1.193960E+01 11 17 1.308700E-02 1.100080E+01 1.193390E+01 11 18 1.336040E-02 1.174200E+01 1.192810E+01 11 19 1.363380E-02 1.192280E+01 1.192240E+01 11 20 1.390720E-02 1.127000E+01 1.191670E+01 11 21 1.418060E-02 1.088620E+01 1.191100E+01 11 22 1.445400E-02 1.174860E+01 1.190530E+01 11 23 1.472740E-02 1.120870E+01 1.189960E+01 11 24 1.500080E-02 1.186060E+01 1.189380E+01 11 25 1.527420E-02 1.172880E+01 1.188590E+01 11 26 1.554760E-02 1.164190E+01 1.187800E+01 11 27 1.582100E-02 1.160980E+01 1.187010E+01 11 28 1.609440E-02 1.170900E+01 1.186210E+01 11 29 1.636780E-02 1.139590E+01 1.185420E+01 11 30 1.664120E-02 1.160990E+01 1.184630E+01 11 31 1.691460E-02 1.142490E+01 1.183840E+01 11 32 1.718810E-02 1.176160E+01 1.183040E+01 11 33 1.746150E-02 1.155700E+01 1.182250E+01 11 34 1.773490E-02 1.144860E+01 1.181460E+01 11 35 1.800830E-02 1.154990E+01 1.180660E+01 11 36 1.828170E-02 1.147410E+01 1.179870E+01 11 37 1.855510E-02 1.150110E+01 1.179080E+01 11 38 1.882850E-02 1.139730E+01 1.178290E+01 11 39 1.910190E-02 1.142720E+01 1.177490E+01 11 40 1.937530E-02 1.105840E+01 1.176700E+01 11 41 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5.131440E-01 1.394610E-01 1.066870E-01 11 1846 5.134170E-01 1.417130E-01 1.066950E-01 11 1847 5.136900E-01 1.074150E-01 1.067030E-01 11 1848 5.139640E-01 1.069030E-01 1.067110E-01 11 1849 5.142370E-01 8.695580E-02 1.067180E-01 11 1850 5.145110E-01 1.061390E-01 1.067260E-01 11 1851 5.147840E-01 9.480360E-02 1.067340E-01 11 1852 5.150570E-01 9.160280E-02 1.067430E-01 11 1853 5.153310E-01 1.091660E-01 1.067580E-01 11 1854 5.156040E-01 9.511760E-02 1.067740E-01 11 1855 5.158780E-01 9.024390E-02 1.067890E-01 11 1856 5.161510E-01 1.010440E-01 1.068040E-01 11 1857 5.164240E-01 1.063790E-01 1.068190E-01 11 1858 5.166980E-01 1.018490E-01 1.068350E-01 11 1859 5.169710E-01 9.996720E-02 1.068500E-01 11 1860 5.172450E-01 9.710490E-02 1.068650E-01 11 1861 5.175180E-01 1.116570E-01 1.068800E-01 11 1862 5.177910E-01 1.190030E-01 1.068960E-01 11 1863 5.180650E-01 1.259800E-01 1.069110E-01 11 1864 5.183380E-01 1.050790E-01 1.069260E-01 11 1865 5.186120E-01 1.005440E-01 1.069420E-01 11 1866 5.188850E-01 1.243770E-01 1.069570E-01 11 1867 5.191580E-01 1.102390E-01 1.069720E-01 11 1868 5.194320E-01 9.626900E-02 1.069870E-01 11 1869 5.197050E-01 1.225000E-01 1.070030E-01 11 1870 5.199790E-01 1.028220E-01 1.070180E-01 11 1871 5.202520E-01 1.044110E-01 1.070390E-01 11 1872 5.205260E-01 1.086760E-01 1.070600E-01 11 1873 5.207990E-01 9.905820E-02 1.070820E-01 11 1874 5.210720E-01 1.051410E-01 1.071030E-01 11 1875 5.213460E-01 9.754400E-02 1.071240E-01 11 1876 5.216190E-01 9.000040E-02 1.071460E-01 11 1877 5.218930E-01 1.234770E-01 1.071670E-01 11 1878 5.221660E-01 1.290060E-01 1.071890E-01 11 1879 5.224390E-01 1.296930E-01 1.072100E-01 11 1880 5.227130E-01 1.445160E-01 1.072310E-01 11 1881 5.229860E-01 1.367690E-01 1.072530E-01 11 1882 5.232600E-01 1.159180E-01 1.072740E-01 11 1883 5.235330E-01 1.116800E-01 1.072960E-01 11 1884 5.238060E-01 1.205390E-01 1.073170E-01 11 1885 5.240800E-01 1.154580E-01 1.073380E-01 11 1886 5.243530E-01 1.281650E-01 1.073600E-01 11 1887 5.246270E-01 1.249870E-01 1.073810E-01 11 1888 5.249000E-01 1.137240E-01 1.074020E-01 11 1889 5.251730E-01 1.039880E-01 1.074270E-01 11 1890 5.254470E-01 1.078520E-01 1.074530E-01 11 1891 5.257200E-01 9.210900E-02 1.074790E-01 11 1892 5.259940E-01 8.570070E-02 1.075050E-01 11 1893 5.262670E-01 9.999910E-02 1.075310E-01 11 1894 5.265400E-01 1.022610E-01 1.075580E-01 11 1895 5.268140E-01 9.340120E-02 1.075840E-01 11 1896 5.270870E-01 8.287380E-02 1.076100E-01 11 1897 5.273610E-01 8.871490E-02 1.076360E-01 11 1898 5.276340E-01 1.244360E-01 1.076620E-01 11 1899 5.279070E-01 9.008380E-02 1.076880E-01 11 1900 5.281810E-01 1.018920E-01 1.077140E-01 11 1901 5.284540E-01 9.911360E-02 1.077410E-01 11 1902 5.287280E-01 9.984310E-02 1.077670E-01 11 1903 5.290010E-01 9.548350E-02 1.077930E-01 11 1904 5.292740E-01 6.799610E-02 1.078190E-01 11 1905 5.295480E-01 1.496350E-01 1.078450E-01 11 1906 5.298210E-01 1.043590E-01 1.078710E-01 11 1907 5.300950E-01 1.105380E-01 1.078990E-01 11 1908 5.303680E-01 1.044740E-01 1.079280E-01 11 1909 5.306410E-01 1.404320E-01 1.079580E-01 11 1910 5.309150E-01 9.886240E-02 1.079870E-01 11 1911 5.311880E-01 8.855390E-02 1.080170E-01 11 1912 5.314620E-01 8.385290E-02 1.080470E-01 11 1913 5.317350E-01 1.167240E-01 1.080760E-01 11 1914 5.320080E-01 1.335190E-01 1.081060E-01 11 1915 5.322820E-01 1.168780E-01 1.081350E-01 11 1916 5.325550E-01 1.234550E-01 1.081650E-01 11 1917 5.328290E-01 1.228920E-01 1.081940E-01 11 1918 5.331020E-01 1.126240E-01 1.082240E-01 11 1919 5.333760E-01 1.128200E-01 1.082540E-01 11 1920 5.336490E-01 1.049090E-01 1.082830E-01 11 1921 5.339220E-01 1.055440E-01 1.083130E-01 11 1922 5.341960E-01 1.032300E-01 1.083420E-01 11 1923 5.344690E-01 1.221580E-01 1.083720E-01 11 1924 5.347430E-01 1.160120E-01 1.084010E-01 11 1925 5.350160E-01 9.677160E-02 1.084310E-01 11 1926 5.352890E-01 9.140500E-02 1.084630E-01 11 1927 5.355630E-01 1.158610E-01 1.084950E-01 11 1928 5.358360E-01 1.181060E-01 1.085270E-01 11 1929 5.361100E-01 9.019490E-02 1.085580E-01 11 1930 5.363830E-01 7.771400E-02 1.085900E-01 11 1931 5.366560E-01 9.003080E-02 1.086220E-01 11 1932 5.369300E-01 8.657640E-02 1.086540E-01 11 1933 5.372030E-01 8.669880E-02 1.086860E-01 11 1934 5.374770E-01 1.120100E-01 1.087170E-01 11 1935 5.377500E-01 1.228510E-01 1.087490E-01 11 1936 5.380230E-01 1.323570E-01 1.087810E-01 11 1937 5.382970E-01 1.454530E-01 1.088130E-01 11 1938 5.385700E-01 1.412260E-01 1.088450E-01 11 1939 5.388440E-01 1.201800E-01 1.088760E-01 11 1940 5.391170E-01 1.315020E-01 1.089080E-01 11 1941 5.393900E-01 1.047710E-01 1.089400E-01 11 1942 5.396640E-01 1.120700E-01 1.089720E-01 11 1943 5.399370E-01 1.172450E-01 1.090040E-01 11 1944 5.402110E-01 1.143520E-01 1.090360E-01 11 1945 5.404840E-01 1.388250E-01 1.090690E-01 11 1946 5.407570E-01 1.212540E-01 1.091020E-01 11 1947 5.410310E-01 1.064990E-01 1.091350E-01 11 1948 5.413040E-01 1.137100E-01 1.091680E-01 11 1949 5.415780E-01 6.527020E-02 1.092010E-01 11 1950 5.418510E-01 6.896170E-02 1.092340E-01 11 1951 5.421240E-01 1.000990E-01 1.092660E-01 11 1952 5.423980E-01 9.011470E-02 1.092990E-01 11 1953 5.426710E-01 1.129550E-01 1.093320E-01 11 1954 5.429450E-01 1.342650E-01 1.093650E-01 11 1955 5.432180E-01 9.365630E-02 1.093980E-01 11 1956 5.434910E-01 1.033560E-01 1.094310E-01 11 1957 5.437650E-01 1.237010E-01 1.094640E-01 11 1958 5.440380E-01 9.135100E-02 1.094970E-01 11 1959 5.443120E-01 8.240870E-02 1.095300E-01 11 1960 5.445850E-01 1.274830E-01 1.095620E-01 11 1961 5.448580E-01 1.178330E-01 1.095950E-01 11 1962 5.451320E-01 1.102540E-01 1.096280E-01 11 1963 5.454050E-01 1.184410E-01 1.096610E-01 11 1964 5.456790E-01 9.493250E-02 1.096940E-01 11 1965 5.459520E-01 9.561010E-02 1.097270E-01 11 1966 5.462260E-01 1.306960E-01 1.097600E-01 11 1967 5.464990E-01 1.493360E-01 1.097930E-01 11 1968 5.467720E-01 1.232170E-01 1.098260E-01 11 1969 5.470460E-01 1.183530E-01 1.098590E-01 11 1970 5.473190E-01 9.049250E-02 1.098920E-01 11 1971 5.475930E-01 9.897360E-02 1.099250E-01 11 1972 5.478660E-01 1.092600E-01 1.099580E-01 11 1973 5.481390E-01 1.297270E-01 1.099910E-01 11 1974 5.484130E-01 1.268650E-01 1.100240E-01 11 1975 5.486860E-01 1.237290E-01 1.100570E-01 11 1976 5.489600E-01 1.302550E-01 1.100900E-01 11 1977 5.492330E-01 1.455140E-01 1.101230E-01 11 1978 5.495060E-01 1.241040E-01 1.101550E-01 11 1979 5.497800E-01 9.267930E-02 1.101880E-01 11 1980 5.500530E-01 1.070030E-01 1.102210E-01 11 1981 5.503270E-01 1.038970E-01 1.102530E-01 11 1982 5.506000E-01 1.317050E-01 1.102850E-01 11 1983 5.508730E-01 1.172060E-01 1.103170E-01 11 1984 5.511470E-01 1.375350E-01 1.103490E-01 11 1985 5.514200E-01 1.463830E-01 1.103810E-01 11 1986 5.516940E-01 1.388110E-01 1.104140E-01 11 1987 5.519670E-01 1.218700E-01 1.104460E-01 11 1988 5.522400E-01 1.019440E-01 1.104780E-01 11 1989 5.525140E-01 1.036880E-01 1.105100E-01 11 1990 5.527870E-01 1.291520E-01 1.105420E-01 11 1991 5.530610E-01 1.302640E-01 1.105740E-01 11 1992 5.533340E-01 1.420370E-01 1.106060E-01 11 1993 5.536070E-01 1.270620E-01 1.106380E-01 11 1994 5.538810E-01 1.224630E-01 1.106700E-01 11 1995 5.541540E-01 1.127200E-01 1.107020E-01 11 1996 5.544280E-01 1.423240E-01 1.107340E-01 11 1997 5.547010E-01 9.282770E-02 1.107660E-01 11 1998 5.549740E-01 9.161620E-02 1.107980E-01 11 1999 5.552480E-01 1.025230E-01 1.108290E-01 11 2000 5.555210E-01 1.136740E-01 1.108590E-01 11 2001 5.557950E-01 1.051090E-01 1.108900E-01 11 2002 5.560680E-01 1.177040E-01 1.109200E-01 11 2003 5.563410E-01 1.196850E-01 1.109500E-01 11 2004 5.566150E-01 1.251830E-01 1.109800E-01 11 2005 5.568880E-01 1.545340E-01 1.110110E-01 11 2006 5.571620E-01 1.287580E-01 1.110410E-01 11 2007 5.574350E-01 1.093430E-01 1.110710E-01 11 2008 5.577090E-01 1.290170E-01 1.111020E-01 11 2009 5.579820E-01 1.120530E-01 1.111320E-01 11 2010 5.582550E-01 9.823200E-02 1.111620E-01 11 2011 5.585290E-01 1.084990E-01 1.111930E-01 11 2012 5.588020E-01 1.295410E-01 1.112230E-01 11 2013 5.590760E-01 1.208360E-01 1.112530E-01 11 2014 5.593490E-01 1.347060E-01 1.112840E-01 11 2015 5.596220E-01 1.156190E-01 1.113140E-01 11 2016 5.598960E-01 9.392040E-02 1.113440E-01 11 2017 5.601690E-01 1.212300E-01 1.113730E-01 11 2018 5.604430E-01 1.169810E-01 1.114010E-01 11 2019 5.607160E-01 1.138210E-01 1.114290E-01 11 2020 5.609890E-01 1.208990E-01 1.114570E-01 11 2021 5.612630E-01 1.207920E-01 1.114840E-01 11 2022 5.615360E-01 1.004490E-01 1.115120E-01 11 2023 5.618100E-01 1.266560E-01 1.115400E-01 11 2024 5.620830E-01 1.167160E-01 1.115680E-01 11 2025 5.623560E-01 1.391160E-01 1.115960E-01 11 2026 5.626300E-01 1.199550E-01 1.116240E-01 11 2027 5.629030E-01 1.097470E-01 1.116510E-01 11 2028 5.631770E-01 1.127000E-01 1.116790E-01 11 2029 5.634500E-01 1.136650E-01 1.117070E-01 11 2030 5.637230E-01 9.679410E-02 1.117350E-01 11 2031 5.639970E-01 1.088460E-01 1.117630E-01 11 2032 5.642700E-01 1.221740E-01 1.117900E-01 11 2033 5.645440E-01 1.058330E-01 1.118180E-01 11 2034 5.648170E-01 1.114520E-01 1.118460E-01 11 2035 5.650900E-01 1.137890E-01 1.118730E-01 11 2036 5.653640E-01 1.076780E-01 1.118980E-01 11 2037 5.656370E-01 1.187540E-01 1.119220E-01 11 2038 5.659110E-01 1.012730E-01 1.119470E-01 11 2039 5.661840E-01 1.271280E-01 1.119710E-01 11 2040 5.664570E-01 1.216150E-01 1.119960E-01 11 2041 5.667310E-01 1.085690E-01 1.120210E-01 11 2042 5.670040E-01 1.219690E-01 1.120450E-01 11 2043 5.672780E-01 1.198000E-01 1.120700E-01 11 2044 5.675510E-01 1.157480E-01 1.120950E-01 11 2045 5.678240E-01 1.177550E-01 1.121190E-01 11 2046 5.680980E-01 1.208790E-01 1.121440E-01 11 2047 5.683710E-01 1.117520E-01 1.121690E-01 11 2048 5.686450E-01 1.251860E-01 1.121930E-01 11 2049 5.689180E-01 1.173570E-01 1.122180E-01 11 2050 5.691910E-01 1.226500E-01 1.122420E-01 11 2051 5.694650E-01 1.246320E-01 1.122670E-01 11 2052 5.697380E-01 1.309340E-01 1.122920E-01 11 2053 5.700120E-01 1.247380E-01 1.123160E-01 11 2054 5.702850E-01 1.120000E-01 1.123370E-01 11 2055 5.705590E-01 1.165860E-01 1.123580E-01 11 2056 5.708320E-01 1.249850E-01 1.123790E-01 11 2057 5.711050E-01 1.207630E-01 1.123990E-01 11 2058 5.713790E-01 1.403890E-01 1.124200E-01 11 2059 5.716520E-01 9.778270E-02 1.124410E-01 11 2060 5.719260E-01 1.089260E-01 1.124620E-01 11 2061 5.721990E-01 9.835840E-02 1.124830E-01 11 2062 5.724720E-01 1.087530E-01 1.125040E-01 11 2063 5.727460E-01 1.055650E-01 1.125250E-01 11 2064 5.730190E-01 1.174160E-01 1.125450E-01 11 2065 5.732930E-01 1.167060E-01 1.125660E-01 11 2066 5.735660E-01 1.186300E-01 1.125870E-01 11 2067 5.738390E-01 1.051720E-01 1.126080E-01 11 2068 5.741130E-01 1.340910E-01 1.126290E-01 11 2069 5.743860E-01 1.389960E-01 1.126500E-01 11 2070 5.746600E-01 1.295330E-01 1.126700E-01 11 2071 5.749330E-01 1.244350E-01 1.126910E-01 11 2072 5.752060E-01 1.482010E-01 1.127090E-01 11 2073 5.754800E-01 1.642730E-01 1.127250E-01 11 2074 5.757530E-01 1.282960E-01 1.127420E-01 11 2075 5.760270E-01 1.096690E-01 1.127580E-01 11 2076 5.763000E-01 1.326620E-01 1.127750E-01 11 2077 5.765730E-01 1.222120E-01 1.127910E-01 11 2078 5.768470E-01 1.220390E-01 1.128080E-01 11 2079 5.771200E-01 1.049430E-01 1.128240E-01 11 2080 5.773940E-01 1.099670E-01 1.128410E-01 11 2081 5.776670E-01 1.131420E-01 1.128570E-01 11 2082 5.779400E-01 1.076660E-01 1.128740E-01 11 2083 5.782140E-01 1.098050E-01 1.128900E-01 11 2084 5.784870E-01 1.050900E-01 1.129070E-01 11 2085 5.787610E-01 1.033490E-01 1.129230E-01 11 2086 5.790340E-01 1.091230E-01 1.129400E-01 11 2087 5.793070E-01 1.238950E-01 1.129560E-01 11 2088 5.795810E-01 1.099120E-01 1.129730E-01 11 2089 5.798540E-01 1.169580E-01 1.129890E-01 11 2090 5.801280E-01 1.188070E-01 1.130030E-01 11 2091 5.804010E-01 1.237950E-01 1.130150E-01 11 2092 5.806740E-01 1.226780E-01 1.130270E-01 11 2093 5.809480E-01 1.351490E-01 1.130380E-01 11 2094 5.812210E-01 1.542680E-01 1.130500E-01 11 2095 5.814950E-01 1.442010E-01 1.130620E-01 11 2096 5.817680E-01 1.318160E-01 1.130730E-01 11 2097 5.820410E-01 1.674490E-01 1.130850E-01 11 2098 5.823150E-01 1.493610E-01 1.130970E-01 11 2099 5.825880E-01 1.460900E-01 1.131080E-01 11 2100 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7.086730E-02 7.282640E-02 11 2653 1.049970E+00 6.163400E-02 7.279420E-02 11 2654 1.050900E+00 5.600970E-02 7.276950E-02 11 2655 1.051820E+00 6.585910E-02 7.274540E-02 11 2656 1.052750E+00 4.547100E-02 7.272100E-02 11 2657 1.053680E+00 6.891140E-02 7.269660E-02 11 2658 1.054600E+00 4.752100E-02 7.267240E-02 11 2659 1.055530E+00 6.082290E-02 7.265330E-02 11 2660 1.056450E+00 6.944400E-02 7.263820E-02 11 2661 1.057380E+00 6.504300E-02 7.262300E-02 11 2662 1.058300E+00 8.298270E-02 7.260800E-02 11 2663 1.059230E+00 6.091660E-02 7.259280E-02 11 2664 1.060150E+00 8.379390E-02 7.257930E-02 11 2665 1.061080E+00 7.436230E-02 7.257400E-02 11 2666 1.062000E+00 5.860510E-02 7.256870E-02 11 2667 1.062930E+00 6.558570E-02 7.256340E-02 11 2668 1.063850E+00 7.418220E-02 7.255820E-02 11 2669 1.064780E+00 8.577230E-02 7.255280E-02 11 2670 1.065710E+00 6.245000E-02 7.255550E-02 11 2671 1.066630E+00 6.648450E-02 7.256050E-02 11 2672 1.067560E+00 6.008930E-02 7.256550E-02 11 2673 1.068480E+00 5.424120E-02 7.257050E-02 11 2674 1.069410E+00 6.148520E-02 7.257560E-02 11 2675 1.070330E+00 7.211020E-02 7.258440E-02 11 2676 1.071260E+00 6.121970E-02 7.260000E-02 11 2677 1.072180E+00 5.156590E-02 7.261550E-02 11 2678 1.073110E+00 4.158520E-02 7.263120E-02 11 2679 1.074030E+00 6.771530E-02 7.264670E-02 11 2680 1.074960E+00 7.042950E-02 7.266240E-02 11 2681 1.075890E+00 5.404070E-02 7.268820E-02 11 2682 1.076810E+00 5.800020E-02 7.271420E-02 11 2683 1.077740E+00 4.867490E-02 7.274050E-02 11 2684 1.078660E+00 5.276560E-02 7.276650E-02 11 2685 1.079590E+00 6.640710E-02 7.279270E-02 11 2686 1.080510E+00 4.047770E-02 7.282440E-02 11 2687 1.081440E+00 5.503800E-02 7.286110E-02 11 2688 1.082360E+00 7.171830E-02 7.289730E-02 11 2689 1.083290E+00 7.787200E-02 7.293400E-02 11 2690 1.084210E+00 8.581350E-02 7.297020E-02 11 2691 1.085140E+00 8.930480E-02 7.300840E-02 11 2692 1.086060E+00 7.523490E-02 7.305450E-02 11 2693 1.086990E+00 7.390480E-02 7.310100E-02 11 2694 1.087920E+00 5.607420E-02 7.314760E-02 11 2695 1.088840E+00 4.564760E-02 7.319370E-02 11 2696 1.089770E+00 4.555350E-02 7.324030E-02 11 2697 1.090690E+00 3.842830E-02 7.329330E-02 11 2698 1.091620E+00 3.907320E-02 7.334920E-02 11 2699 1.092540E+00 8.021430E-02 7.340440E-02 11 2700 1.093470E+00 8.261710E-02 7.346030E-02 11 2701 1.094390E+00 5.588730E-02 7.351560E-02 11 2702 1.095320E+00 4.068860E-02 7.357440E-02 11 2703 1.096240E+00 4.933780E-02 7.363820E-02 11 2704 1.097170E+00 7.274470E-02 7.370260E-02 11 2705 1.098090E+00 6.209260E-02 7.376630E-02 11 2706 1.099020E+00 4.643520E-02 7.383070E-02 11 2707 1.099950E+00 9.919580E-02 7.389520E-02 11 2708 1.100870E+00 6.348320E-02 7.396600E-02 11 2709 1.101800E+00 6.053780E-02 7.403810E-02 11 2710 1.102720E+00 4.213470E-02 7.410940E-02 11 2711 1.103650E+00 3.347290E-02 7.418140E-02 11 2712 1.104570E+00 6.394730E-02 7.425270E-02 11 2713 1.105500E+00 7.664910E-02 7.432830E-02 11 2714 1.106420E+00 3.789330E-02 7.440620E-02 11 2715 1.107350E+00 6.531810E-02 7.448490E-02 11 2716 1.108270E+00 6.354130E-02 7.456270E-02 11 2717 1.109200E+00 6.639290E-02 7.464150E-02 11 2718 1.110130E+00 7.791180E-02 7.472090E-02 11 2719 1.111050E+00 5.941190E-02 7.480440E-02 11 2720 1.111980E+00 8.105430E-02 7.488870E-02 11 2721 1.112900E+00 7.886900E-02 7.497210E-02 11 2722 1.113830E+00 8.611220E-02 7.505640E-02 11 2723 1.114750E+00 6.016200E-02 7.513980E-02 11 2724 1.115680E+00 4.582220E-02 7.522750E-02 11 2725 1.116600E+00 9.064540E-02 7.531550E-02 11 2726 1.117530E+00 9.279870E-02 7.540440E-02 11 2727 1.118450E+00 6.699910E-02 7.549230E-02 11 2728 1.119380E+00 8.045970E-02 7.558120E-02 11 2729 1.120300E+00 6.655320E-02 7.567030E-02 11 2730 1.121230E+00 5.371360E-02 7.576270E-02 11 2731 1.122160E+00 8.075460E-02 7.585520E-02 11 2732 1.123080E+00 8.017930E-02 7.594660E-02 11 2733 1.124010E+00 5.436940E-02 7.603910E-02 11 2734 1.124930E+00 7.045870E-02 7.613050E-02 11 2735 1.125860E+00 9.818320E-02 7.622540E-02 11 2736 1.126780E+00 6.548880E-02 7.631940E-02 11 2737 1.127710E+00 1.009900E-01 7.641440E-02 11 2738 1.128630E+00 7.796810E-02 7.650840E-02 11 2739 1.129560E+00 6.021990E-02 7.660350E-02 11 2740 1.130480E+00 8.337810E-02 7.669830E-02 11 2741 1.131410E+00 5.694590E-02 7.679510E-02 11 2742 1.132340E+00 5.360090E-02 7.689180E-02 11 2743 1.133260E+00 3.163790E-02 7.698750E-02 11 2744 1.134190E+00 4.885450E-02 7.708420E-02 11 2745 1.135110E+00 4.650730E-02 7.718000E-02 11 2746 1.136040E+00 8.800070E-02 7.727760E-02 11 2747 1.136960E+00 8.142430E-02 7.737420E-02 11 2748 1.137890E+00 5.965330E-02 7.747190E-02 11 2749 1.138810E+00 5.904140E-02 7.756840E-02 11 2750 1.139740E+00 7.768430E-02 7.766610E-02 11 2751 1.140660E+00 7.889830E-02 7.776290E-02 11 2752 1.141590E+00 9.304970E-02 7.786070E-02 11 2753 1.142510E+00 8.041390E-02 7.795760E-02 11 2754 1.143440E+00 7.292610E-02 7.805550E-02 11 2755 1.144370E+00 7.948070E-02 7.815340E-02 11 2756 1.145290E+00 8.721620E-02 7.825010E-02 11 2757 1.146220E+00 7.200890E-02 7.834780E-02 11 2758 1.147140E+00 6.393200E-02 7.844440E-02 11 2759 1.148070E+00 6.984440E-02 7.854200E-02 11 2760 1.148990E+00 6.895140E-02 7.863860E-02 11 2761 1.149920E+00 6.800120E-02 7.873620E-02 11 2762 1.150840E+00 6.335870E-02 7.883220E-02 11 2763 1.151770E+00 4.833960E-02 7.892920E-02 11 2764 1.152690E+00 2.348760E-02 7.902520E-02 11 2765 1.153620E+00 4.645630E-02 7.912220E-02 11 2766 1.154550E+00 6.672160E-02 7.921920E-02 11 2767 1.155470E+00 7.021110E-02 7.931470E-02 11 2768 1.156400E+00 4.048000E-02 7.941090E-02 11 2769 1.157320E+00 6.751850E-02 7.950600E-02 11 2770 1.158250E+00 9.092120E-02 7.960210E-02 11 2771 1.159170E+00 9.344340E-02 7.969720E-02 11 2772 1.160100E+00 1.034380E-01 7.979330E-02 11 2773 1.161020E+00 6.933910E-02 7.988750E-02 11 2774 1.161950E+00 4.703420E-02 7.998270E-02 11 2775 1.162870E+00 7.464380E-02 8.007690E-02 11 2776 1.163800E+00 5.678910E-02 8.017210E-02 11 2777 1.164720E+00 7.509630E-02 8.026630E-02 11 2778 1.165650E+00 7.744810E-02 8.036100E-02 11 2779 1.166580E+00 7.918840E-02 8.045530E-02 11 2780 1.167500E+00 9.014800E-02 8.054870E-02 11 2781 1.168430E+00 1.069730E-01 8.064300E-02 11 2782 1.169350E+00 9.352090E-02 8.073640E-02 11 2783 1.170280E+00 6.592380E-02 8.083050E-02 11 2784 1.171200E+00 6.359690E-02 8.092320E-02 11 2785 1.172130E+00 6.268740E-02 8.101690E-02 11 2786 1.173050E+00 8.341530E-02 8.110960E-02 11 2787 1.173980E+00 7.732740E-02 8.120330E-02 11 2788 1.174900E+00 5.468350E-02 8.129600E-02 11 2789 1.175830E+00 6.045620E-02 8.138930E-02 11 2790 1.176750E+00 9.306680E-02 8.148160E-02 11 2791 1.177680E+00 8.040580E-02 8.157500E-02 11 2792 1.178610E+00 6.240060E-02 8.166830E-02 11 2793 1.179530E+00 7.699950E-02 8.176060E-02 11 2794 1.180460E+00 6.576100E-02 8.185390E-02 11 2795 1.181380E+00 6.658560E-02 8.194630E-02 11 2796 1.182310E+00 7.672770E-02 8.203960E-02 11 2797 1.183230E+00 8.245710E-02 8.213200E-02 11 2798 1.184160E+00 7.381750E-02 8.222530E-02 11 2799 1.185080E+00 1.076560E-01 8.231770E-02 11 2800 1.186010E+00 9.171600E-02 8.241160E-02 11 2801 1.186930E+00 6.910390E-02 8.250440E-02 11 2802 1.187860E+00 6.780220E-02 8.259830E-02 11 2803 1.188790E+00 6.842910E-02 8.269210E-02 11 2804 1.189710E+00 8.607100E-02 8.278490E-02 11 2805 1.190640E+00 9.592290E-02 8.287950E-02 11 2806 1.191560E+00 1.013720E-01 8.297330E-02 11 2807 1.192490E+00 8.239050E-02 8.306820E-02 11 2808 1.193410E+00 6.748550E-02 8.316200E-02 11 2809 1.194340E+00 7.141550E-02 8.325690E-02 11 2810 1.195260E+00 8.673210E-02 8.335120E-02 11 2811 1.196190E+00 1.015730E-01 8.344760E-02 11 2812 1.197110E+00 8.072390E-02 8.354300E-02 11 2813 1.198040E+00 6.159850E-02 8.363940E-02 11 2814 1.198960E+00 9.767620E-02 8.373480E-02 11 2815 1.199890E+00 8.010870E-02 8.383120E-02 # data_SASDAG2_MODEL_18 # _sas_model.id 18 _sas_model.type_of_model dummy _sas_model.version . _sas_model.symmetry P1 _sas_model.comment "ran it 10 times and took the model with the lowest NSD (damsel) and visually best fit (pymol)" _sas_model.fitting_id 10 _sas_model.radius 1.90 # 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.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _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 . CA . ASP . 18 1 . 5.444 -2.603 4.532 1.00 20.00 ? ? ? ? ? . 1 ASP . CA 18 ATOM 2 . CA . ASP . 18 2 . -2.105 -10.447 6.670 1.00 20.00 ? ? ? ? ? . 2 ASP . CA 18 ATOM 3 . CA . ASP . 18 3 . -6.657 3.371 -9.745 1.00 20.00 ? ? ? ? ? . 3 ASP . CA 18 ATOM 4 . CA . ASP . 18 4 . -10.269 9.103 4.096 1.00 20.00 ? ? ? ? ? . 4 ASP . CA 18 ATOM 5 . CA . ASP . 18 5 . -5.217 -9.022 1.130 1.00 20.00 ? ? ? ? ? . 5 ASP . CA 18 ATOM 6 . CA . ASP . 18 6 . 5.821 -10.112 -0.757 1.00 20.00 ? ? ? ? ? . 6 ASP . CA 18 ATOM 7 . CA . ASP . 18 7 . -10.838 6.601 -7.192 1.00 20.00 ? ? ? ? ? . 7 ASP . CA 18 ATOM 8 . CA . ASP . 18 8 . 0.669 3.813 -9.018 1.00 20.00 ? ? ? ? ? . 8 ASP . CA 18 ATOM 9 . CA . ASP . 18 9 . -1.373 2.700 1.934 1.00 20.00 ? ? ? ? ? . 9 ASP . CA 18 ATOM 10 . CA . ASP . 18 10 . -3.978 -2.423 -10.955 1.00 20.00 ? ? ? ? ? . 10 ASP . CA 18 ATOM 11 . CA . ASP . 18 11 . -0.827 4.423 9.302 1.00 20.00 ? ? ? ? ? . 11 ASP . CA 18 ATOM 12 . CA . ASP . 18 12 . -2.302 -4.943 -8.860 1.00 20.00 ? ? ? ? ? . 12 ASP . CA 18 ATOM 13 . CA . ASP . 18 13 . 2.378 0.635 8.705 1.00 20.00 ? ? ? ? ? . 13 ASP . CA 18 ATOM 14 . CA . ASP . 18 14 . 5.229 -2.491 -2.075 1.00 20.00 ? ? ? ? ? . 14 ASP . CA 18 ATOM 15 . CA . ASP . 18 15 . 1.682 -11.736 9.699 1.00 20.00 ? ? ? ? ? . 15 ASP . CA 18 ATOM 16 . CA . ASP . 18 16 . -16.723 3.917 -1.188 1.00 20.00 ? ? ? ? ? . 16 ASP . CA 18 ATOM 17 . CA . ASP . 18 17 . -5.926 -4.396 7.544 1.00 20.00 ? ? ? ? ? . 17 ASP . CA 18 ATOM 18 . CA . ASP . 18 18 . -2.596 5.063 -7.321 1.00 20.00 ? ? ? ? ? . 18 ASP . CA 18 ATOM 19 . CA . ASP . 18 19 . 4.426 -7.246 -2.582 1.00 20.00 ? ? ? ? ? . 19 ASP . CA 18 ATOM 20 . CA . ASP . 18 20 . -6.538 7.479 -2.703 1.00 20.00 ? ? ? ? ? . 20 ASP . CA 18 ATOM 21 . CA . ASP . 18 21 . -13.259 10.710 4.873 1.00 20.00 ? ? ? ? ? . 21 ASP . CA 18 ATOM 22 . CA . ASP . 18 22 . 8.443 -7.592 13.342 1.00 20.00 ? ? ? ? ? . 22 ASP . CA 18 ATOM 23 . CA . ASP . 18 23 . -4.213 8.364 9.969 1.00 20.00 ? ? ? ? ? . 23 ASP . CA 18 ATOM 24 . CA . ASP . 18 24 . -7.073 6.496 -7.696 1.00 20.00 ? ? ? ? ? . 24 ASP . CA 18 ATOM 25 . CA . ASP . 18 25 . -13.620 3.389 0.942 1.00 20.00 ? ? ? ? ? . 25 ASP . CA 18 ATOM 26 . CA . ASP . 18 26 . -1.945 -6.918 8.841 1.00 20.00 ? ? ? ? ? . 26 ASP . CA 18 ATOM 27 . CA . ASP . 18 27 . 9.667 4.669 6.453 1.00 20.00 ? ? ? ? ? . 27 ASP . CA 18 ATOM 28 . CA . ASP . 18 28 . -16.023 6.693 3.453 1.00 20.00 ? ? ? ? ? . 28 ASP . CA 18 ATOM 29 . CA . ASP . 18 29 . -9.516 2.903 11.606 1.00 20.00 ? ? ? ? ? . 29 ASP . CA 18 ATOM 30 . CA . ASP . 18 30 . 14.246 -3.331 6.286 1.00 20.00 ? ? ? ? ? . 30 ASP . CA 18 ATOM 31 . CA . ASP . 18 31 . 14.928 -8.737 3.714 1.00 20.00 ? ? ? ? ? . 31 ASP . CA 18 ATOM 32 . CA . ASP . 18 32 . -4.619 4.206 9.414 1.00 20.00 ? ? ? ? ? . 32 ASP . CA 18 ATOM 33 . CA . ASP . 18 33 . -7.284 -5.358 -2.388 1.00 20.00 ? ? ? ? ? . 33 ASP . CA 18 ATOM 34 . CA . ASP . 18 34 . -1.935 -8.844 -0.776 1.00 20.00 ? ? ? ? ? . 34 ASP . CA 18 ATOM 35 . CA . ASP . 18 35 . -10.292 6.466 1.189 1.00 20.00 ? ? ? ? ? . 35 ASP . CA 18 ATOM 36 . CA . ASP . 18 36 . 5.352 -7.841 8.273 1.00 20.00 ? ? ? ? ? . 36 ASP . CA 18 ATOM 37 . CA . ASP . 18 37 . 7.626 -1.397 -4.813 1.00 20.00 ? ? ? ? ? . 37 ASP . CA 18 ATOM 38 . CA . ASP . 18 38 . 16.450 -2.002 -2.283 1.00 20.00 ? ? ? ? ? . 38 ASP . CA 18 ATOM 39 . CA . ASP . 18 39 . 10.327 -2.251 -3.086 1.00 20.00 ? ? ? ? ? . 39 ASP . CA 18 ATOM 40 . CA . ASP . 18 40 . -4.824 -1.901 0.425 1.00 20.00 ? ? ? ? ? . 40 ASP . CA 18 ATOM 41 . CA . ASP . 18 41 . 14.642 0.189 -4.807 1.00 20.00 ? ? ? ? ? . 41 ASP . CA 18 ATOM 42 . CA . ASP . 18 42 . 6.462 4.811 8.490 1.00 20.00 ? ? ? ? ? . 42 ASP . CA 18 ATOM 43 . CA . ASP . 18 43 . 6.029 11.108 7.607 1.00 20.00 ? ? ? ? ? . 43 ASP . CA 18 ATOM 44 . CA . ASP . 18 44 . -5.258 1.215 11.505 1.00 20.00 ? ? ? ? ? . 44 ASP . CA 18 ATOM 45 . CA . ASP . 18 45 . 10.325 0.270 7.660 1.00 20.00 ? ? ? ? ? . 45 ASP . CA 18 ATOM 46 . CA . ASP . 18 46 . -5.394 -5.439 1.687 1.00 20.00 ? ? ? ? ? . 46 ASP . CA 18 ATOM 47 . CA . ASP . 18 47 . 13.690 -7.025 -0.850 1.00 20.00 ? ? ? ? ? . 47 ASP . CA 18 ATOM 48 . CA . ASP . 18 48 . -9.943 6.034 9.496 1.00 20.00 ? ? ? ? ? . 48 ASP . CA 18 ATOM 49 . CA . ASP . 18 49 . 11.997 -12.659 7.019 1.00 20.00 ? ? ? ? ? . 49 ASP . CA 18 ATOM 50 . CA . ASP . 18 50 . 4.406 -1.618 1.531 1.00 20.00 ? ? ? ? ? . 50 ASP . CA 18 ATOM 51 . CA . ASP . 18 51 . 8.335 -14.951 2.600 1.00 20.00 ? ? ? ? ? . 51 ASP . CA 18 ATOM 52 . CA . ASP . 18 52 . -6.927 -7.693 5.941 1.00 20.00 ? ? ? ? ? . 52 ASP . CA 18 ATOM 53 . CA . ASP . 18 53 . 14.641 8.187 1.322 1.00 20.00 ? ? ? ? ? . 53 ASP . CA 18 ATOM 54 . CA . ASP . 18 54 . 0.191 -8.700 11.430 1.00 20.00 ? ? ? ? ? . 54 ASP . CA 18 ATOM 55 . CA . ASP . 18 55 . 8.223 3.502 -5.753 1.00 20.00 ? ? ? ? ? . 55 ASP . CA 18 ATOM 56 . CA . ASP . 18 56 . -0.748 -3.967 10.938 1.00 20.00 ? ? ? ? ? . 56 ASP . CA 18 ATOM 57 . CA . ASP . 18 57 . -6.896 9.995 2.590 1.00 20.00 ? ? ? ? ? . 57 ASP . CA 18 ATOM 58 . CA . ASP . 18 58 . -0.768 8.796 8.425 1.00 20.00 ? ? ? ? ? . 58 ASP . CA 18 ATOM 59 . CA . ASP . 18 59 . 2.495 9.552 4.063 1.00 20.00 ? ? ? ? ? . 59 ASP . CA 18 ATOM 60 . CA . ASP . 18 60 . -2.713 -1.611 8.705 1.00 20.00 ? ? ? ? ? . 60 ASP . CA 18 ATOM 61 . CA . ASP . 18 61 . -1.044 -0.158 -10.118 1.00 20.00 ? ? ? ? ? . 61 ASP . CA 18 ATOM 62 . CA . ASP . 18 62 . -8.118 -1.469 6.510 1.00 20.00 ? ? ? ? ? . 62 ASP . CA 18 ATOM 63 . CA . ASP . 18 63 . 7.476 -4.829 9.195 1.00 20.00 ? ? ? ? ? . 63 ASP . CA 18 ATOM 64 . CA . ASP . 18 64 . 4.943 6.603 -6.080 1.00 20.00 ? ? ? ? ? . 64 ASP . CA 18 ATOM 65 . CA . ASP . 18 65 . -13.095 4.867 5.044 1.00 20.00 ? ? ? ? ? . 65 ASP . CA 18 ATOM 66 . CA . ASP . 18 66 . 15.705 -5.295 2.304 1.00 20.00 ? ? ? ? ? . 66 ASP . CA 18 ATOM 67 . CA . ASP . 18 67 . 4.201 7.816 7.089 1.00 20.00 ? ? ? ? ? . 67 ASP . CA 18 ATOM 68 . CA . ASP . 18 68 . 10.519 -12.530 -1.630 1.00 20.00 ? ? ? ? ? . 68 ASP . CA 18 ATOM 69 . CA . ASP . 18 69 . 3.952 1.926 -8.697 1.00 20.00 ? ? ? ? ? . 69 ASP . CA 18 ATOM 70 . CA . ASP . 18 70 . 8.925 8.141 4.010 1.00 20.00 ? ? ? ? ? . 70 ASP . CA 18 ATOM 71 . CA . ASP . 18 71 . 14.838 -10.440 0.360 1.00 20.00 ? ? ? ? ? . 71 ASP . CA 18 ATOM 72 . CA . ASP . 18 72 . -10.294 -5.981 5.521 1.00 20.00 ? ? ? ? ? . 72 ASP . CA 18 ATOM 73 . CA . ASP . 18 73 . 12.862 8.679 -2.000 1.00 20.00 ? ? ? ? ? . 73 ASP . CA 18 ATOM 74 . CA . ASP . 18 74 . -12.423 1.810 -8.826 1.00 20.00 ? ? ? ? ? . 74 ASP . CA 18 ATOM 75 . CA . ASP . 18 75 . -8.864 -5.574 -8.440 1.00 20.00 ? ? ? ? ? . 75 ASP . CA 18 ATOM 76 . CA . ASP . 18 76 . -10.185 -5.588 0.326 1.00 20.00 ? ? ? ? ? . 76 ASP . CA 18 ATOM 77 . CA . ASP . 18 77 . 7.140 7.262 -3.051 1.00 20.00 ? ? ? ? ? . 77 ASP . CA 18 ATOM 78 . CA . ASP . 18 78 . -5.524 -7.314 10.040 1.00 20.00 ? ? ? ? ? . 78 ASP . CA 18 ATOM 79 . CA . ASP . 18 79 . 14.552 3.488 -3.245 1.00 20.00 ? ? ? ? ? . 79 ASP . CA 18 ATOM 80 . CA . ASP . 18 80 . -2.334 11.474 0.384 1.00 20.00 ? ? ? ? ? . 80 ASP . CA 18 ATOM 81 . CA . ASP . 18 81 . -14.065 9.263 1.453 1.00 20.00 ? ? ? ? ? . 81 ASP . CA 18 ATOM 82 . CA . ASP . 18 82 . 16.727 4.987 -0.514 1.00 20.00 ? ? ? ? ? . 82 ASP . CA 18 ATOM 83 . CA . ASP . 18 83 . 8.471 2.310 -2.231 1.00 20.00 ? ? ? ? ? . 83 ASP . CA 18 ATOM 84 . CA . ASP . 18 84 . 11.046 -8.409 10.697 1.00 20.00 ? ? ? ? ? . 84 ASP . CA 18 ATOM 85 . CA . ASP . 18 85 . 8.932 -9.021 -2.646 1.00 20.00 ? ? ? ? ? . 85 ASP . CA 18 ATOM 86 . CA . ASP . 18 86 . 4.554 3.014 -4.894 1.00 20.00 ? ? ? ? ? . 86 ASP . CA 18 ATOM 87 . CA . ASP . 18 87 . -3.328 9.192 3.255 1.00 20.00 ? ? ? ? ? . 87 ASP . CA 18 ATOM 88 . CA . ASP . 18 88 . 9.663 -11.458 1.913 1.00 20.00 ? ? ? ? ? . 88 ASP . CA 18 ATOM 89 . CA . ASP . 18 89 . 0.430 -11.404 0.739 1.00 20.00 ? ? ? ? ? . 89 ASP . CA 18 ATOM 90 . CA . ASP . 18 90 . -8.245 -0.549 10.365 1.00 20.00 ? ? ? ? ? . 90 ASP . CA 18 ATOM 91 . CA . ASP . 18 91 . 0.918 -0.312 2.282 1.00 20.00 ? ? ? ? ? . 91 ASP . CA 18 ATOM 92 . CA . ASP . 18 92 . 7.773 -15.114 -1.159 1.00 20.00 ? ? ? ? ? . 92 ASP . CA 18 ATOM 93 . CA . ASP . 18 93 . -7.815 9.150 9.048 1.00 20.00 ? ? ? ? ? . 93 ASP . CA 18 ATOM 94 . CA . ASP . 18 94 . 12.462 -8.892 7.204 1.00 20.00 ? ? ? ? ? . 94 ASP . CA 18 ATOM 95 . CA . ASP . 18 95 . -1.299 6.002 0.944 1.00 20.00 ? ? ? ? ? . 95 ASP . CA 18 ATOM 96 . CA . ASP . 18 96 . -10.755 -1.052 -8.387 1.00 20.00 ? ? ? ? ? . 96 ASP . CA 18 ATOM 97 . CA . ASP . 18 97 . 9.439 -5.698 -4.418 1.00 20.00 ? ? ? ? ? . 97 ASP . CA 18 ATOM 98 . CA . ASP . 18 98 . -12.077 -2.658 5.981 1.00 20.00 ? ? ? ? ? . 98 ASP . CA 18 ATOM 99 . CA . ASP . 18 99 . -1.807 4.293 -3.684 1.00 20.00 ? ? ? ? ? . 99 ASP . CA 18 ATOM 100 . CA . ASP . 18 100 . 10.631 9.758 1.024 1.00 20.00 ? ? ? ? ? . 100 ASP . CA 18 ATOM 101 . CA . ASP . 18 101 . 17.309 -4.688 5.695 1.00 20.00 ? ? ? ? ? . 101 ASP . CA 18 ATOM 102 . CA . ASP . 18 102 . 0.150 -0.930 11.357 1.00 20.00 ? ? ? ? ? . 102 ASP . CA 18 ATOM 103 . CA . ASP . 18 103 . -7.200 0.154 -7.797 1.00 20.00 ? ? ? ? ? . 103 ASP . CA 18 ATOM 104 . CA . ASP . 18 104 . 12.969 -13.049 3.367 1.00 20.00 ? ? ? ? ? . 104 ASP . CA 18 ATOM 105 . CA . ASP . 18 105 . 1.515 5.107 11.628 1.00 20.00 ? ? ? ? ? . 105 ASP . CA 18 ATOM 106 . CA . ASP . 18 106 . 5.695 -12.771 5.094 1.00 20.00 ? ? ? ? ? . 106 ASP . CA 18 ATOM 107 . CA . ASP . 18 107 . -1.991 8.438 -1.889 1.00 20.00 ? ? ? ? ? . 107 ASP . CA 18 ATOM 108 . CA . ASP . 18 108 . -5.563 -5.999 -7.640 1.00 20.00 ? ? ? ? ? . 108 ASP . CA 18 ATOM 109 . CA . ASP . 18 109 . 9.755 5.665 -0.991 1.00 20.00 ? ? ? ? ? . 109 ASP . CA 18 ATOM 110 . CA . ASP . 18 110 . -5.089 4.115 -1.778 1.00 20.00 ? ? ? ? ? . 110 ASP . CA 18 ATOM 111 . CA . ASP . 18 111 . 9.112 8.889 7.727 1.00 20.00 ? ? ? ? ? . 111 ASP . CA 18 ATOM 112 . CA . ASP . 18 112 . 1.591 -5.187 -6.972 1.00 20.00 ? ? ? ? ? . 112 ASP . CA 18 ATOM 113 . CA . ASP . 18 113 . -14.452 -1.083 -2.631 1.00 20.00 ? ? ? ? ? . 113 ASP . CA 18 ATOM 114 . CA . ASP . 18 114 . -2.635 -0.988 -1.999 1.00 20.00 ? ? ? ? ? . 114 ASP . CA 18 ATOM 115 . CA . ASP . 18 115 . -9.907 8.915 -1.691 1.00 20.00 ? ? ? ? ? . 115 ASP . CA 18 ATOM 116 . CA . ASP . 18 116 . -10.139 -5.136 -4.887 1.00 20.00 ? ? ? ? ? . 116 ASP . CA 18 ATOM 117 . CA . ASP . 18 117 . 0.597 -11.954 4.451 1.00 20.00 ? ? ? ? ? . 117 ASP . CA 18 ATOM 118 . CA . ASP . 18 118 . -0.606 -5.806 -3.933 1.00 20.00 ? ? ? ? ? . 118 ASP . CA 18 ATOM 119 . CA . ASP . 18 119 . -13.557 8.418 -2.626 1.00 20.00 ? ? ? ? ? . 119 ASP . CA 18 ATOM 120 . CA . ASP . 18 120 . 10.964 -3.324 9.098 1.00 20.00 ? ? ? ? ? . 120 ASP . CA 18 ATOM 121 . CA . ASP . 18 121 . -9.378 -1.974 1.182 1.00 20.00 ? ? ? ? ? . 121 ASP . CA 18 ATOM 122 . CA . ASP . 18 122 . 17.594 0.582 2.753 1.00 20.00 ? ? ? ? ? . 122 ASP . CA 18 ATOM 123 . CA . ASP . 18 123 . -17.619 1.962 1.945 1.00 20.00 ? ? ? ? ? . 123 ASP . CA 18 ATOM 124 . CA . ASP . 18 124 . 6.306 0.891 8.940 1.00 20.00 ? ? ? ? ? . 124 ASP . CA 18 ATOM 125 . CA . ASP . 18 125 . -14.085 1.465 -5.426 1.00 20.00 ? ? ? ? ? . 125 ASP . CA 18 ATOM 126 . CA . ASP . 18 126 . 14.022 0.428 6.794 1.00 20.00 ? ? ? ? ? . 126 ASP . CA 18 ATOM 127 . CA . ASP . 18 127 . 1.441 8.482 11.501 1.00 20.00 ? ? ? ? ? . 127 ASP . CA 18 ATOM 128 . CA . ASP . 18 128 . 8.209 -12.479 7.262 1.00 20.00 ? ? ? ? ? . 128 ASP . CA 18 ATOM 129 . CA . ASP . 18 129 . 1.053 -2.828 -9.894 1.00 20.00 ? ? ? ? ? . 129 ASP . CA 18 ATOM 130 . CA . ASP . 18 130 . -3.828 -11.239 3.378 1.00 20.00 ? ? ? ? ? . 130 ASP . CA 18 ATOM 131 . CA . ASP . 18 131 . 15.095 3.135 2.375 1.00 20.00 ? ? ? ? ? . 131 ASP . CA 18 ATOM 132 . CA . ASP . 18 132 . -12.562 -0.208 1.557 1.00 20.00 ? ? ? ? ? . 132 ASP . CA 18 ATOM 133 . CA . ASP . 18 133 . 13.133 -5.459 -4.112 1.00 20.00 ? ? ? ? ? . 133 ASP . CA 18 ATOM 134 . CA . ASP . 18 134 . 13.393 4.792 7.188 1.00 20.00 ? ? ? ? ? . 134 ASP . CA 18 ATOM 135 . CA . ASP . 18 135 . 15.136 -1.757 1.042 1.00 20.00 ? ? ? ? ? . 135 ASP . CA 18 ATOM 136 . CA . ASP . 18 136 . 4.665 -1.785 -9.344 1.00 20.00 ? ? ? ? ? . 136 ASP . CA 18 ATOM 137 . CA . ASP . 18 137 . 0.197 -3.368 -1.131 1.00 20.00 ? ? ? ? ? . 137 ASP . CA 18 ATOM 138 . CA . ASP . 18 138 . 5.798 -9.738 11.658 1.00 20.00 ? ? ? ? ? . 138 ASP . CA 18 ATOM 139 . CA . ASP . 18 139 . -12.797 0.972 5.622 1.00 20.00 ? ? ? ? ? . 139 ASP . CA 18 ATOM 140 . CA . ASP . 18 140 . 13.696 7.410 4.655 1.00 20.00 ? ? ? ? ? . 140 ASP . CA 18 ATOM 141 . CA . ASP . 18 141 . 6.584 -5.408 -0.051 1.00 20.00 ? ? ? ? ? . 141 ASP . CA 18 ATOM 142 . CA . ASP . 18 142 . 4.434 9.013 -0.805 1.00 20.00 ? ? ? ? ? . 142 ASP . CA 18 ATOM 143 . CA . ASP . 18 143 . -17.239 -1.138 -0.219 1.00 20.00 ? ? ? ? ? . 143 ASP . CA 18 ATOM 144 . CA . ASP . 18 144 . 3.845 -2.680 7.565 1.00 20.00 ? ? ? ? ? . 144 ASP . CA 18 ATOM 145 . CA . ASP . 18 145 . 3.785 -9.899 4.230 1.00 20.00 ? ? ? ? ? . 145 ASP . CA 18 ATOM 146 . CA . ASP . 18 146 . -13.809 6.641 -5.976 1.00 20.00 ? ? ? ? ? . 146 ASP . CA 18 ATOM 147 . CA . ASP . 18 147 . 5.651 10.772 2.335 1.00 20.00 ? ? ? ? ? . 147 ASP . CA 18 ATOM 148 . H . WAT . 18 148 . 1.361 0.000 16.273 1.00 20.00 ? ? ? ? ? . 148 WAT . H 18 ATOM 149 . H . WAT . 18 149 . -2.064 -1.891 16.618 1.00 20.00 ? ? ? ? ? . 149 WAT . H 18 ATOM 150 . H . WAT . 18 150 . 0.358 4.087 17.040 1.00 20.00 ? ? ? ? ? . 150 WAT . H 18 ATOM 151 . H . WAT . 18 151 . 2.826 -3.683 15.574 1.00 20.00 ? ? ? ? ? . 151 WAT . H 18 ATOM 152 . H . WAT . 18 152 . -5.709 1.007 16.657 1.00 20.00 ? ? ? ? ? . 152 WAT . H 18 ATOM 153 . H . WAT . 18 153 . 5.340 3.402 16.092 1.00 20.00 ? ? ? ? ? . 153 WAT . H 18 ATOM 154 . H . WAT . 18 154 . -1.946 -7.264 17.248 1.00 20.00 ? ? ? ? ? . 154 WAT . H 18 ATOM 155 . H . WAT . 18 155 . -3.580 6.878 16.275 1.00 20.00 ? ? ? ? ? . 155 WAT . H 18 ATOM 156 . H . WAT . 18 156 . 7.382 -2.687 15.243 1.00 20.00 ? ? ? ? ? . 156 WAT . H 18 ATOM 157 . H . WAT . 18 157 . -7.988 -3.309 15.626 1.00 20.00 ? ? ? ? ? . 157 WAT . H 18 ATOM 158 . H . WAT . 18 158 . 4.109 8.811 16.466 1.00 20.00 ? ? ? ? ? . 158 WAT . H 18 ATOM 159 . H . WAT . 18 159 . 3.313 -10.506 17.569 1.00 20.00 ? ? ? ? ? . 159 WAT . H 18 ATOM 160 . H . WAT . 18 160 . -9.588 5.536 16.691 1.00 20.00 ? ? ? ? ? . 160 WAT . H 18 ATOM 161 . H . WAT . 18 161 . 9.562 2.120 14.003 1.00 20.00 ? ? ? ? ? . 161 WAT . H 18 ATOM 162 . H . WAT . 18 162 . -6.292 -8.986 14.915 1.00 20.00 ? ? ? ? ? . 162 WAT . H 18 ATOM 163 . H . WAT . 18 163 . -1.525 11.586 15.143 1.00 20.00 ? ? ? ? ? . 163 WAT . H 18 ATOM 164 . H . WAT . 18 164 . 10.838 -9.094 17.508 1.00 20.00 ? ? ? ? ? . 164 WAT . H 18 ATOM 165 . H . WAT . 18 165 . -12.842 -0.561 15.216 1.00 20.00 ? ? ? ? ? . 165 WAT . H 18 ATOM 166 . H . WAT . 18 166 . 8.987 8.987 14.411 1.00 20.00 ? ? ? ? ? . 166 WAT . H 18 ATOM 167 . H . WAT . 18 167 . -0.591 -13.542 14.741 1.00 20.00 ? ? ? ? ? . 167 WAT . H 18 ATOM 168 . H . WAT . 18 168 . -8.828 10.521 14.341 1.00 20.00 ? ? ? ? ? . 168 WAT . H 18 ATOM 169 . H . WAT . 18 169 . 13.594 -1.790 13.759 1.00 20.00 ? ? ? ? ? . 169 WAT . H 18 ATOM 170 . H . WAT . 18 170 . -10.755 -7.531 12.671 1.00 20.00 ? ? ? ? ? . 170 WAT . H 18 ATOM 171 . H . WAT . 18 171 . 3.033 13.679 13.014 1.00 20.00 ? ? ? ? ? . 171 WAT . H 18 ATOM 172 . H . WAT . 18 172 . 8.177 -14.164 14.628 1.00 20.00 ? ? ? ? ? . 172 WAT . H 18 ATOM 173 . H . WAT . 18 173 . -14.531 4.582 13.129 1.00 20.00 ? ? ? ? ? . 173 WAT . H 18 ATOM 174 . H . WAT . 18 174 . 14.285 6.661 13.090 1.00 20.00 ? ? ? ? ? . 174 WAT . H 18 ATOM 175 . H . WAT . 18 175 . -5.437 -13.126 11.375 1.00 20.00 ? ? ? ? ? . 175 WAT . H 18 ATOM 176 . H . WAT . 18 176 . -5.266 14.468 11.887 1.00 20.00 ? ? ? ? ? . 176 WAT . H 18 ATOM 177 . H . WAT . 18 177 . 15.909 -8.282 13.355 1.00 20.00 ? ? ? ? ? . 177 WAT . H 18 ATOM 178 . H . WAT . 18 178 . -14.533 -3.894 10.805 1.00 20.00 ? ? ? ? ? . 178 WAT . H 18 ATOM 179 . H . WAT . 18 179 . 8.699 13.654 11.215 1.00 20.00 ? ? ? ? ? . 179 WAT . H 18 ATOM 180 . H . WAT . 18 180 . 2.922 -16.574 11.245 1.00 20.00 ? ? ? ? ? . 180 WAT . H 18 ATOM 181 . H . WAT . 18 181 . -13.246 10.164 10.759 1.00 20.00 ? ? ? ? ? . 181 WAT . H 18 ATOM 182 . H . WAT . 18 182 . 17.331 1.516 10.810 1.00 20.00 ? ? ? ? ? . 182 WAT . H 18 ATOM 183 . H . WAT . 18 183 . -10.424 -11.376 9.243 1.00 20.00 ? ? ? ? ? . 183 WAT . H 18 ATOM 184 . H . WAT . 18 184 . 0.000 14.575 8.415 1.00 20.00 ? ? ? ? ? . 184 WAT . H 18 ATOM 185 . H . WAT . 18 185 . 13.964 -15.239 11.497 1.00 20.00 ? ? ? ? ? . 185 WAT . H 18 ATOM 186 . H . WAT . 18 186 . -16.908 1.479 9.093 1.00 20.00 ? ? ? ? ? . 186 WAT . H 18 ATOM 187 . H . WAT . 18 187 . 14.667 11.254 9.533 1.00 20.00 ? ? ? ? ? . 187 WAT . H 18 ATOM 188 . H . WAT . 18 188 . -2.724 -15.446 7.782 1.00 20.00 ? ? ? ? ? . 188 WAT . H 18 ATOM 189 . H . WAT . 18 189 . -9.530 14.958 8.461 1.00 20.00 ? ? ? ? ? . 189 WAT . H 18 ATOM 190 . H . WAT . 18 190 . 20.788 -5.570 9.864 1.00 20.00 ? ? ? ? ? . 190 WAT . H 18 ATOM 191 . H . WAT . 18 191 . -14.888 -7.750 7.386 1.00 20.00 ? ? ? ? ? . 191 WAT . H 18 ATOM 192 . H . WAT . 18 192 . 6.136 16.859 7.573 1.00 20.00 ? ? ? ? ? . 192 WAT . H 18 ATOM 193 . H . WAT . 18 193 . 7.711 -18.617 8.151 1.00 20.00 ? ? ? ? ? . 193 WAT . H 18 ATOM 194 . H . WAT . 18 194 . -18.954 8.838 8.098 1.00 20.00 ? ? ? ? ? . 194 WAT . H 18 ATOM 195 . H . WAT . 18 195 . 18.742 5.909 7.276 1.00 20.00 ? ? ? ? ? . 195 WAT . H 18 ATOM 196 . H . WAT . 18 196 . -8.064 -13.968 5.702 1.00 20.00 ? ? ? ? ? . 196 WAT . H 18 ATOM 197 . H . WAT . 18 197 . -3.382 15.254 5.267 1.00 20.00 ? ? ? ? ? . 197 WAT . H 18 ATOM 198 . H . WAT . 18 198 . 18.264 -12.788 7.155 1.00 20.00 ? ? ? ? ? . 198 WAT . H 18 ATOM 199 . H . WAT . 18 199 . -17.690 -2.329 5.441 1.00 20.00 ? ? ? ? ? . 199 WAT . H 18 ATOM 200 . H . WAT . 18 200 . 11.927 14.214 5.365 1.00 20.00 ? ? ? ? ? . 200 WAT . H 18 ATOM 201 . H . WAT . 18 201 . 0.746 -17.075 4.676 1.00 20.00 ? ? ? ? ? . 201 WAT . H 18 ATOM 202 . H . WAT . 18 202 . -15.493 15.493 5.657 1.00 20.00 ? ? ? ? ? . 202 WAT . H 18 ATOM 203 . H . WAT . 18 203 . 22.665 -0.990 5.513 1.00 20.00 ? ? ? ? ? . 203 WAT . H 18 ATOM 204 . H . WAT . 18 204 . -13.193 -11.070 3.925 1.00 20.00 ? ? ? ? ? . 204 WAT . H 18 ATOM 205 . H . WAT . 18 205 . 2.126 16.149 3.470 1.00 20.00 ? ? ? ? ? . 205 WAT . H 18 ATOM 206 . H . WAT . 18 206 . 13.186 -18.832 4.557 1.00 20.00 ? ? ? ? ? . 206 WAT . H 18 ATOM 207 . H . WAT . 18 207 . -21.786 4.830 4.096 1.00 20.00 ? ? ? ? ? . 207 WAT . H 18 ATOM 208 . H . WAT . 18 208 . 18.580 10.727 3.626 1.00 20.00 ? ? ? ? ? . 208 WAT . H 18 ATOM 209 . H . WAT . 18 209 . -5.125 -16.255 2.635 1.00 20.00 ? ? ? ? ? . 209 WAT . H 18 ATOM 210 . H . WAT . 18 210 . -7.206 15.453 2.391 1.00 20.00 ? ? ? ? ? . 210 WAT . H 18 ATOM 211 . H . WAT . 18 211 . 21.411 -8.869 2.920 1.00 20.00 ? ? ? ? ? . 211 WAT . H 18 ATOM 212 . H . WAT . 18 212 . -16.667 -6.066 1.983 1.00 20.00 ? ? ? ? ? . 212 WAT . H 18 ATOM 213 . H . WAT . 18 213 . 8.548 16.420 1.808 1.00 20.00 ? ? ? ? ? . 213 WAT . H 18 ATOM 214 . H . WAT . 18 214 . 5.612 -20.943 1.813 1.00 20.00 ? ? ? ? ? . 214 WAT . H 18 ATOM 215 . H . WAT . 18 215 . -18.769 11.957 1.549 1.00 20.00 ? ? ? ? ? . 215 WAT . H 18 ATOM 216 . H . WAT . 18 216 . 22.177 3.910 1.253 1.00 20.00 ? ? ? ? ? . 216 WAT . H 18 ATOM 217 . H . WAT . 18 217 . -9.962 -12.982 0.682 1.00 20.00 ? ? ? ? ? . 217 WAT . H 18 ATOM 218 . H . WAT . 18 218 . -1.450 16.570 0.462 1.00 20.00 ? ? ? ? ? . 218 WAT . H 18 ATOM 219 . H . WAT . 18 219 . 17.267 -15.823 0.325 1.00 20.00 ? ? ? ? ? . 219 WAT . H 18 ATOM 220 . H . WAT . 18 220 . -22.619 0.000 0.000 1.00 20.00 ? ? ? ? ? . 220 WAT . H 18 ATOM 221 . H . WAT . 18 221 . 15.706 14.392 -0.296 1.00 20.00 ? ? ? ? ? . 221 WAT . H 18 ATOM 222 . H . WAT . 18 222 . -1.432 -16.363 -0.456 1.00 20.00 ? ? ? ? ? . 222 WAT . H 18 ATOM 223 . H . WAT . 18 223 . -11.047 14.397 -0.757 1.00 20.00 ? ? ? ? ? . 223 WAT . H 18 ATOM 224 . H . WAT . 18 224 . 21.287 -3.754 -1.203 1.00 20.00 ? ? ? ? ? . 224 WAT . H 18 ATOM 225 . H . WAT . 18 225 . -13.986 -8.910 -1.154 1.00 20.00 ? ? ? ? ? . 225 WAT . H 18 ATOM 226 . H . WAT . 18 226 . 4.290 16.010 -1.386 1.00 20.00 ? ? ? ? ? . 226 WAT . H 18 ATOM 227 . H . WAT . 18 227 . 10.123 -19.447 -2.142 1.00 20.00 ? ? ? ? ? . 227 WAT . H 18 ATOM 228 . H . WAT . 18 228 . -20.620 7.505 -2.453 1.00 20.00 ? ? ? ? ? . 228 WAT . H 18 ATOM 229 . H . WAT . 18 229 . 20.432 8.463 -2.786 1.00 20.00 ? ? ? ? ? . 229 WAT . H 18 ATOM 230 . H . WAT . 18 230 . -6.330 -13.574 -2.101 1.00 20.00 ? ? ? ? ? . 230 WAT . H 18 ATOM 231 . H . WAT . 18 231 . -4.888 15.504 -2.513 1.00 20.00 ? ? ? ? ? . 231 WAT . H 18 ATOM 232 . H . WAT . 18 232 . 19.433 -11.219 -3.793 1.00 20.00 ? ? ? ? ? . 232 WAT . H 18 ATOM 233 . H . WAT . 18 233 . -20.968 -4.648 -3.943 1.00 20.00 ? ? ? ? ? . 233 WAT . H 18 ATOM 234 . H . WAT . 18 234 . 10.478 14.964 -3.621 1.00 20.00 ? ? ? ? ? . 234 WAT . H 18 ATOM 235 . H . WAT . 18 235 . 2.037 -15.475 -3.325 1.00 20.00 ? ? ? ? ? . 235 WAT . H 18 ATOM 236 . H . WAT . 18 236 . -15.674 13.152 -4.663 1.00 20.00 ? ? ? ? ? . 236 WAT . H 18 ATOM 237 . H . WAT . 18 237 . 20.798 0.908 -5.058 1.00 20.00 ? ? ? ? ? . 237 WAT . H 18 ATOM 238 . H . WAT . 18 238 . -11.420 -11.420 -4.170 1.00 20.00 ? ? ? ? ? . 238 WAT . H 18 ATOM 239 . H . WAT . 18 239 . 0.667 15.281 -4.185 1.00 20.00 ? ? ? ? ? . 239 WAT . H 18 ATOM 240 . H . WAT . 18 240 . 13.072 -15.578 -5.880 1.00 20.00 ? ? ? ? ? . 240 WAT . H 18 ATOM 241 . H . WAT . 18 241 . -20.573 2.709 -6.327 1.00 20.00 ? ? ? ? ? . 241 WAT . H 18 ATOM 242 . H . WAT . 18 242 . 15.898 11.132 -6.228 1.00 20.00 ? ? ? ? ? . 242 WAT . H 18 ATOM 243 . H . WAT . 18 243 . -2.836 -12.791 -4.417 1.00 20.00 ? ? ? ? ? . 243 WAT . H 18 ATOM 244 . H . WAT . 18 244 . -8.256 14.299 -5.838 1.00 20.00 ? ? ? ? ? . 244 WAT . H 18 ATOM 245 . H . WAT . 18 245 . 18.844 -5.942 -7.316 1.00 20.00 ? ? ? ? ? . 245 WAT . H 18 ATOM 246 . H . WAT . 18 246 . -14.989 -6.990 -6.404 1.00 20.00 ? ? ? ? ? . 246 WAT . H 18 ATOM 247 . H . WAT . 18 247 . 5.285 12.758 -5.586 1.00 20.00 ? ? ? ? ? . 247 WAT . H 18 ATOM 248 . H . WAT . 18 248 . 5.005 -13.750 -6.177 1.00 20.00 ? ? ? ? ? . 248 WAT . H 18 ATOM 249 . H . WAT . 18 249 . -17.394 9.055 -8.629 1.00 20.00 ? ? ? ? ? . 249 WAT . H 18 ATOM 250 . H . WAT . 18 250 . 17.518 4.694 -8.313 1.00 20.00 ? ? ? ? ? . 250 WAT . H 18 ATOM 251 . H . WAT . 18 251 . -7.543 -11.840 -6.697 1.00 20.00 ? ? ? ? ? . 251 WAT . H 18 ATOM 252 . H . WAT . 18 252 . -2.115 11.992 -6.041 1.00 20.00 ? ? ? ? ? . 252 WAT . H 18 ATOM 253 . H . WAT . 18 253 . 13.467 -10.333 -8.754 1.00 20.00 ? ? ? ? ? . 253 WAT . H 18 ATOM 254 . H . WAT . 18 254 . -17.508 -1.532 -9.415 1.00 20.00 ? ? ? ? ? . 254 WAT . H 18 ATOM 255 . H . WAT . 18 255 . 9.079 9.908 -7.475 1.00 20.00 ? ? ? ? ? . 255 WAT . H 18 ATOM 256 . H . WAT . 18 256 . -0.000 -11.299 -6.523 1.00 20.00 ? ? ? ? ? . 256 WAT . H 18 ATOM 257 . H . WAT . 18 257 . -11.100 12.113 -9.842 1.00 20.00 ? ? ? ? ? . 257 WAT . H 18 ATOM 258 . H . WAT . 18 258 . 16.849 -1.474 -10.509 1.00 20.00 ? ? ? ? ? . 258 WAT . H 18 ATOM 259 . H . WAT . 18 259 . -12.227 -9.382 -9.931 1.00 20.00 ? ? ? ? ? . 259 WAT . H 18 ATOM 260 . H . WAT . 18 260 . 2.093 11.872 -8.055 1.00 20.00 ? ? ? ? ? . 260 WAT . H 18 ATOM 261 . H . WAT . 18 261 . 5.940 -9.324 -7.658 1.00 20.00 ? ? ? ? ? . 261 WAT . H 18 ATOM 262 . H . WAT . 18 262 . -16.253 4.355 -12.084 1.00 20.00 ? ? ? ? ? . 262 WAT . H 18 ATOM 263 . H . WAT . 18 263 . 11.087 5.771 -9.307 1.00 20.00 ? ? ? ? ? . 263 WAT . H 18 ATOM 264 . H . WAT . 18 264 . -4.233 -11.631 -9.556 1.00 20.00 ? ? ? ? ? . 264 WAT . H 18 ATOM 265 . H . WAT . 18 265 . -4.961 11.978 -10.380 1.00 20.00 ? ? ? ? ? . 265 WAT . H 18 ATOM 266 . H . WAT . 18 266 . 11.334 -5.285 -10.386 1.00 20.00 ? ? ? ? ? . 266 WAT . H 18 ATOM 267 . H . WAT . 18 267 . -13.355 -4.211 -12.066 1.00 20.00 ? ? ? ? ? . 267 WAT . H 18 ATOM 268 . H . WAT . 18 268 . 5.649 9.784 -10.105 1.00 20.00 ? ? ? ? ? . 268 WAT . H 18 ATOM 269 . H . WAT . 18 269 . 2.252 -10.158 -9.664 1.00 20.00 ? ? ? ? ? . 269 WAT . H 18 ATOM 270 . H . WAT . 18 270 . -11.262 7.885 -13.268 1.00 20.00 ? ? ? ? ? . 270 WAT . H 18 ATOM 271 . H . WAT . 18 271 . 10.604 1.396 -10.733 1.00 20.00 ? ? ? ? ? . 271 WAT . H 18 ATOM 272 . H . WAT . 18 272 . -7.998 -9.531 -12.992 1.00 20.00 ? ? ? ? ? . 272 WAT . H 18 ATOM 273 . H . WAT . 18 273 . -0.419 9.600 -10.450 1.00 20.00 ? ? ? ? ? . 273 WAT . H 18 ATOM 274 . H . WAT . 18 274 . 7.027 -7.027 -11.269 1.00 20.00 ? ? ? ? ? . 274 WAT . H 18 ATOM 275 . H . WAT . 18 275 . -12.767 0.557 -15.127 1.00 20.00 ? ? ? ? ? . 275 WAT . H 18 ATOM 276 . H . WAT . 18 276 . 7.150 5.999 -11.549 1.00 20.00 ? ? ? ? ? . 276 WAT . H 18 ATOM 277 . H . WAT . 18 277 . -1.212 -9.202 -12.027 1.00 20.00 ? ? ? ? ? . 277 WAT . H 18 ATOM 278 . H . WAT . 18 278 . -5.695 8.133 -13.498 1.00 20.00 ? ? ? ? ? . 278 WAT . H 18 ATOM 279 . H . WAT . 18 279 . 8.667 -1.921 -12.692 1.00 20.00 ? ? ? ? ? . 279 WAT . H 18 ATOM 280 . H . WAT . 18 280 . -8.529 -4.924 -14.847 1.00 20.00 ? ? ? ? ? . 280 WAT . H 18 ATOM 281 . H . WAT . 18 281 . 2.345 7.437 -12.436 1.00 20.00 ? ? ? ? ? . 281 WAT . H 18 ATOM 282 . H . WAT . 18 282 . 3.234 -6.934 -12.959 1.00 20.00 ? ? ? ? ? . 282 WAT . H 18 ATOM 283 . H . WAT . 18 283 . -7.661 3.173 -14.987 1.00 20.00 ? ? ? ? ? . 283 WAT . H 18 ATOM 284 . H . WAT . 18 284 . 6.472 2.356 -13.364 1.00 20.00 ? ? ? ? ? . 284 WAT . H 18 ATOM 285 . H . WAT . 18 285 . -3.298 -6.335 -14.990 1.00 20.00 ? ? ? ? ? . 285 WAT . H 18 ATOM 286 . H . WAT . 18 286 . -1.517 5.663 -13.446 1.00 20.00 ? ? ? ? ? . 286 WAT . H 18 ATOM 287 . H . WAT . 18 287 . 4.782 -3.047 -14.411 1.00 20.00 ? ? ? ? ? . 287 WAT . H 18 ATOM 288 . H . WAT . 18 288 . -5.429 -0.957 -15.841 1.00 20.00 ? ? ? ? ? . 288 WAT . H 18 ATOM 289 . H . WAT . 18 289 . 2.543 3.314 -14.013 1.00 20.00 ? ? ? ? ? . 289 WAT . H 18 ATOM 290 . H . WAT . 18 290 . 0.329 -3.762 -15.687 1.00 20.00 ? ? ? ? ? . 290 WAT . H 18 ATOM 291 . H . WAT . 18 291 . -1.961 1.797 -15.796 1.00 20.00 ? ? ? ? ? . 291 WAT . H 18 ATOM 292 . H . WAT . 18 292 . 1.250 0.000 -14.944 1.00 20.00 ? ? ? ? ? . 292 WAT . H 18 # data_SASDAG2_MODEL_17 # _sas_model.id 17 _sas_model.type_of_model atomic _sas_model.version . _sas_model.symmetry . _sas_model.comment . _sas_model.fitting_id 11 _sas_model.radius . # 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.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _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 . LYS A 17 1 . 3.296 9.888 10.739 1.00 7.00 ? ? ? ? ? . 1 LYS A N 17 ATOM 2 C CA . LYS A 17 1 . 2.439 10.217 9.791 1.00 6.00 ? ? ? ? ? . 1 LYS A CA 17 ATOM 3 C C . LYS A 17 1 . 2.439 11.997 9.160 1.00 6.00 ? ? ? ? ? . 1 LYS A C 17 ATOM 4 O O . LYS A 17 1 . 2.637 12.656 10.107 1.00 8.00 ? ? ? ? ? . 1 LYS A O 17 ATOM 5 C CB . LYS A 17 1 . 0.659 10.086 8.844 1.00 6.00 ? ? ? ? ? . 1 LYS A CB 17 ATOM 6 C CG . LYS A 17 1 . 0.198 10.415 8.086 1.00 6.00 ? ? ? ? ? . 1 LYS A CG 17 ATOM 7 C CD . LYS A 17 1 . -1.187 10.086 8.212 1.00 6.00 ? ? ? ? ? . 1 LYS A CD 17 ATOM 8 C CE . LYS A 17 1 . -2.175 10.086 7.264 1.00 6.00 ? ? ? ? ? . 1 LYS A CE 17 ATOM 9 N NZ . LYS A 17 1 . -3.527 9.869 7.288 1.00 7.00 ? ? ? ? ? . 1 LYS A NZ 17 ATOM 10 N N . VAL A 17 2 . 2.637 12.722 7.707 1.00 7.00 ? ? ? ? ? . 2 VAL A N 17 ATOM 11 C CA . VAL A 17 2 . 2.307 14.172 7.580 1.00 6.00 ? ? ? ? ? . 2 VAL A CA 17 ATOM 12 C C . VAL A 17 2 . 0.857 14.041 6.949 1.00 6.00 ? ? ? ? ? . 2 VAL A C 17 ATOM 13 O O . VAL A 17 2 . 0.659 13.843 5.875 1.00 8.00 ? ? ? ? ? . 2 VAL A O 17 ATOM 14 C CB . VAL A 17 2 . 3.625 14.172 6.759 1.00 6.00 ? ? ? ? ? . 2 VAL A CB 17 ATOM 15 C CG1 . VAL A 17 2 . 3.494 15.491 6.317 1.00 6.00 ? ? ? ? ? . 2 VAL A CG1 17 ATOM 16 C CG2 . VAL A 17 2 . 4.746 13.843 7.580 1.00 6.00 ? ? ? ? ? . 2 VAL A CG2 17 ATOM 17 N N . PHE A 17 3 . 0.000 14.898 7.896 1.00 7.00 ? ? ? ? ? . 3 PHE A N 17 ATOM 18 C CA . PHE A 17 3 . -1.187 15.293 7.580 1.00 6.00 ? ? ? ? ? . 3 PHE A CA 17 ATOM 19 C C . PHE A 17 3 . -0.989 16.611 6.317 1.00 6.00 ? ? ? ? ? . 3 PHE A C 17 ATOM 20 O O . PHE A 17 3 . -0.330 17.139 6.317 1.00 8.00 ? ? ? ? ? . 3 PHE A O 17 ATOM 21 C CB . PHE A 17 3 . -1.846 15.161 8.844 1.00 6.00 ? ? ? ? ? . 3 PHE A CB 17 ATOM 22 C CG . PHE A 17 3 . -1.978 14.502 9.475 1.00 6.00 ? ? ? ? ? . 3 PHE A CG 17 ATOM 23 C CD1 . PHE A 17 3 . -3.757 14.107 9.160 1.00 6.00 ? ? ? ? ? . 3 PHE A CD1 17 ATOM 24 C CD2 . PHE A 17 3 . -1.582 14.041 10.423 1.00 6.00 ? ? ? ? ? . 3 PHE A CD2 17 ATOM 25 C CE1 . PHE A 17 3 . -4.417 13.381 9.791 1.00 6.00 ? ? ? ? ? . 3 PHE A CE1 17 ATOM 26 C CE2 . PHE A 17 3 . -2.109 13.316 11.370 1.00 6.00 ? ? ? ? ? . 3 PHE A CE2 17 ATOM 27 C CZ . PHE A 17 3 . -3.691 12.920 10.865 1.00 6.00 ? ? ? ? ? . 3 PHE A CZ 17 ATOM 28 N N . GLY A 17 4 . -2.505 16.611 5.875 1.00 7.00 ? ? ? ? ? . 4 GLY A N 17 ATOM 29 C CA . GLY A 17 4 . -2.637 17.468 4.864 1.00 6.00 ? ? ? ? ? . 4 GLY A CA 17 ATOM 30 C C . GLY A 17 4 . -3.626 18.787 5.685 1.00 6.00 ? ? ? ? ? . 4 GLY A C 17 ATOM 31 O O . GLY A 17 4 . -3.955 17.930 6.633 1.00 8.00 ? ? ? ? ? . 4 GLY A O 17 ATOM 32 N N . ARG A 17 5 . -3.494 19.841 5.054 1.00 7.00 ? ? ? ? ? . 5 ARG A N 17 ATOM 33 C CA . ARG A 17 5 . -3.823 20.764 5.685 1.00 6.00 ? ? ? ? ? . 5 ARG A CA 17 ATOM 34 C C . ARG A 17 5 . -4.944 20.303 5.875 1.00 6.00 ? ? ? ? ? . 5 ARG A C 17 ATOM 35 O O . ARG A 17 5 . -5.801 20.237 6.633 1.00 8.00 ? ? ? ? ? . 5 ARG A O 17 ATOM 36 C CB . ARG A 17 5 . -4.285 21.687 4.738 1.00 6.00 ? ? ? ? ? . 5 ARG A CB 17 ATOM 37 C CG . ARG A 17 5 . -4.482 23.005 5.054 1.00 6.00 ? ? ? ? ? . 5 ARG A CG 17 ATOM 38 C CD . ARG A 17 5 . -4.482 23.994 4.232 1.00 6.00 ? ? ? ? ? . 5 ARG A CD 17 ATOM 39 N NE . ARG A 17 5 . -5.273 24.390 3.158 1.00 7.00 ? ? ? ? ? . 5 ARG A NE 17 ATOM 40 C CZ . ARG A 17 5 . -6.065 24.588 3.158 1.00 6.00 ? ? ? ? ? . 5 ARG A CZ 17 ATOM 41 N NH1 . ARG A 17 5 . -7.119 24.851 3.980 1.00 7.00 ? ? ? ? ? . 5 ARG A NH1 17 ATOM 42 N NH2 . ARG A 17 5 . -7.119 25.576 1.895 1.00 7.00 ? ? ? ? ? . 5 ARG A NH2 17 ATOM 43 N N . CYS A 17 6 . -5.933 20.435 4.611 1.00 7.00 ? ? ? ? ? . 6 CYS A N 17 ATOM 44 C CA . CYS A 17 6 . -7.581 20.105 4.611 1.00 6.00 ? ? ? ? ? . 6 CYS A CA 17 ATOM 45 C C . CYS A 17 6 . -7.910 18.787 5.875 1.00 6.00 ? ? ? ? ? . 6 CYS A C 17 ATOM 46 O O . CYS A 17 6 . -8.240 18.457 6.759 1.00 8.00 ? ? ? ? ? . 6 CYS A O 17 ATOM 47 C CB . CYS A 17 6 . -8.042 19.775 3.474 1.00 6.00 ? ? ? ? ? . 6 CYS A CB 17 ATOM 48 S SG . CYS A 17 6 . -8.899 21.423 2.843 1.00 16.00 ? ? ? ? ? . 6 CYS A SG 17 ATOM 49 N N . GLU A 17 7 . -6.856 17.666 5.685 1.00 7.00 ? ? ? ? ? . 7 GLU A N 17 ATOM 50 C CA . GLU A 17 7 . -7.119 16.414 6.191 1.00 6.00 ? ? ? ? ? . 7 GLU A CA 17 ATOM 51 C C . GLU A 17 7 . -6.856 16.282 7.580 1.00 6.00 ? ? ? ? ? . 7 GLU A C 17 ATOM 52 O O . GLU A 17 7 . -7.581 15.689 8.402 1.00 8.00 ? ? ? ? ? . 7 GLU A O 17 ATOM 53 C CB . GLU A 17 7 . -6.592 15.623 5.685 1.00 6.00 ? ? ? ? ? . 7 GLU A CB 17 ATOM 54 C CG . GLU A 17 7 . -6.262 14.041 6.506 1.00 6.00 ? ? ? ? ? . 7 GLU A CG 17 ATOM 55 C CD . GLU A 17 7 . -5.339 13.184 5.685 1.00 6.00 ? ? ? ? ? . 7 GLU A CD 17 ATOM 56 O OE1 . GLU A 17 7 . -3.955 13.184 5.054 1.00 8.00 ? ? ? ? ? . 7 GLU A OE1 17 ATOM 57 O OE2 . GLU A 17 7 . -4.944 12.063 6.317 1.00 8.00 ? ? ? ? ? . 7 GLU A OE2 17 ATOM 58 N N . LEU A 17 8 . -6.196 16.941 8.212 1.00 7.00 ? ? ? ? ? . 8 LEU A N 17 ATOM 59 C CA . LEU A 17 8 . -5.735 17.534 9.475 1.00 6.00 ? ? ? ? ? . 8 LEU A CA 17 ATOM 60 C C . LEU A 17 8 . -6.724 17.996 10.107 1.00 6.00 ? ? ? ? ? . 8 LEU A C 17 ATOM 61 O O . LEU A 17 8 . -7.053 17.798 11.370 1.00 8.00 ? ? ? ? ? . 8 LEU A O 17 ATOM 62 C CB . LEU A 17 8 . -4.482 18.193 9.791 1.00 6.00 ? ? ? ? ? . 8 LEU A CB 17 ATOM 63 C CG . LEU A 17 8 . -4.417 18.457 10.739 1.00 6.00 ? ? ? ? ? . 8 LEU A CG 17 ATOM 64 C CD1 . LEU A 17 8 . -4.482 17.073 12.002 1.00 6.00 ? ? ? ? ? . 8 LEU A CD1 17 ATOM 65 C CD2 . LEU A 17 8 . -3.098 19.248 11.686 1.00 6.00 ? ? ? ? ? . 8 LEU A CD2 17 ATOM 66 N N . ALA A 17 9 . -7.581 19.116 9.160 1.00 7.00 ? ? ? ? ? . 9 ALA A N 17 ATOM 67 C CA . ALA A 17 9 . -8.372 19.907 9.665 1.00 6.00 ? ? ? ? ? . 9 ALA A CA 17 ATOM 68 C C . ALA A 17 9 . -9.229 19.182 10.107 1.00 6.00 ? ? ? ? ? . 9 ALA A C 17 ATOM 69 O O . ALA A 17 9 . -9.888 19.248 11.244 1.00 8.00 ? ? ? ? ? . 9 ALA A O 17 ATOM 70 C CB . ALA A 17 9 . -8.965 20.830 8.844 1.00 6.00 ? ? ? ? ? . 9 ALA A CB 17 ATOM 71 N N . ALA A 17 10 . -10.020 18.128 8.844 1.00 7.00 ? ? ? ? ? . 10 ALA A N 17 ATOM 72 C CA . ALA A 17 10 . -11.206 17.205 9.475 1.00 6.00 ? ? ? ? ? . 10 ALA A CA 17 ATOM 73 C C . ALA A 17 10 . -10.877 16.150 10.739 1.00 6.00 ? ? ? ? ? . 10 ALA A C 17 ATOM 74 O O . ALA A 17 10 . -11.536 16.150 11.686 1.00 8.00 ? ? ? ? ? . 10 ALA A O 17 ATOM 75 C CB . ALA A 17 10 . -11.536 15.952 8.212 1.00 6.00 ? ? ? ? ? . 10 ALA A CB 17 ATOM 76 N N . ALA A 17 11 . -10.217 15.820 10.739 1.00 7.00 ? ? ? ? ? . 11 ALA A N 17 ATOM 77 C CA . ALA A 17 11 . -9.426 14.963 11.749 1.00 6.00 ? ? ? ? ? . 11 ALA A CA 17 ATOM 78 C C . ALA A 17 11 . -9.756 15.557 13.266 1.00 6.00 ? ? ? ? ? . 11 ALA A C 17 ATOM 79 O O . ALA A 17 11 . -10.349 14.766 14.087 1.00 8.00 ? ? ? ? ? . 11 ALA A O 17 ATOM 80 C CB . ALA A 17 11 . -7.910 14.502 11.623 1.00 6.00 ? ? ? ? ? . 11 ALA A CB 17 ATOM 81 N N . MET A 17 12 . -9.229 16.677 13.266 1.00 7.00 ? ? ? ? ? . 12 MET A N 17 ATOM 82 C CA . MET A 17 12 . -9.295 17.534 14.529 1.00 6.00 ? ? ? ? ? . 12 MET A CA 17 ATOM 83 C C . MET A 17 12 . -10.547 18.062 14.908 1.00 6.00 ? ? ? ? ? . 12 MET A C 17 ATOM 84 O O . MET A 17 12 . -11.074 17.930 16.424 1.00 8.00 ? ? ? ? ? . 12 MET A O 17 ATOM 85 C CB . MET A 17 12 . -8.438 18.721 14.529 1.00 6.00 ? ? ? ? ? . 12 MET A CB 17 ATOM 86 C CG . MET A 17 12 . -6.921 18.457 14.529 1.00 6.00 ? ? ? ? ? . 12 MET A CG 17 ATOM 87 S SD . MET A 17 12 . -5.999 19.973 14.529 1.00 16.00 ? ? ? ? ? . 12 MET A SD 17 ATOM 88 C CE . MET A 17 12 . -6.081 20.438 16.246 1.00 6.00 ? ? ? ? ? . 12 MET A CE 17 ATOM 89 N N . LYS A 17 13 . -11.272 18.259 13.897 1.00 7.00 ? ? ? ? ? . 13 LYS A N 17 ATOM 90 C CA . LYS A 17 13 . -12.854 18.062 14.213 1.00 6.00 ? ? ? ? ? . 13 LYS A CA 17 ATOM 91 C C . LYS A 17 13 . -13.843 17.139 14.971 1.00 6.00 ? ? ? ? ? . 13 LYS A C 17 ATOM 92 O O . LYS A 17 13 . -14.370 17.271 16.298 1.00 8.00 ? ? ? ? ? . 13 LYS A O 17 ATOM 93 C CB . LYS A 17 13 . -13.184 18.787 12.634 1.00 6.00 ? ? ? ? ? . 13 LYS A CB 17 ATOM 94 C CG . LYS A 17 13 . -14.502 19.314 13.076 1.00 6.00 ? ? ? ? ? . 13 LYS A CG 17 ATOM 95 C CD . LYS A 17 13 . -15.293 19.775 12.002 1.00 6.00 ? ? ? ? ? . 13 LYS A CD 17 ATOM 96 C CE . LYS A 17 13 . -16.480 20.303 12.507 1.00 6.00 ? ? ? ? ? . 13 LYS A CE 17 ATOM 97 N NZ . LYS A 17 13 . -16.941 20.303 10.928 1.00 7.00 ? ? ? ? ? . 13 LYS A NZ 17 ATOM 98 N N . ARG A 17 14 . -13.645 16.018 13.897 1.00 7.00 ? ? ? ? ? . 14 ARG A N 17 ATOM 99 C CA . ARG A 17 14 . -13.645 14.502 14.213 1.00 6.00 ? ? ? ? ? . 14 ARG A CA 17 ATOM 100 C C . ARG A 17 14 . -13.447 14.370 15.792 1.00 6.00 ? ? ? ? ? . 14 ARG A C 17 ATOM 101 O O . ARG A 17 14 . -14.304 14.304 17.056 1.00 8.00 ? ? ? ? ? . 14 ARG A O 17 ATOM 102 C CB . ARG A 17 14 . -13.909 13.184 13.771 1.00 6.00 ? ? ? ? ? . 14 ARG A CB 17 ATOM 103 C CG . ARG A 17 14 . -13.711 12.722 12.634 1.00 6.00 ? ? ? ? ? . 14 ARG A CG 17 ATOM 104 C CD . ARG A 17 14 . -14.304 11.272 13.329 1.00 6.00 ? ? ? ? ? . 14 ARG A CD 17 ATOM 105 N NE . ARG A 17 14 . -12.986 10.679 13.771 1.00 7.00 ? ? ? ? ? . 14 ARG A NE 17 ATOM 106 C CZ . ARG A 17 14 . -12.986 9.888 14.845 1.00 6.00 ? ? ? ? ? . 14 ARG A CZ 17 ATOM 107 N NH1 . ARG A 17 14 . -14.172 9.954 15.603 1.00 7.00 ? ? ? ? ? . 14 ARG A NH1 17 ATOM 108 N NH2 . ARG A 17 14 . -11.997 9.097 15.287 1.00 7.00 ? ? ? ? ? . 14 ARG A NH2 17 ATOM 109 N N . HIS A 17 15 . -12.525 14.832 16.424 1.00 7.00 ? ? ? ? ? . 15 HIS A N 17 ATOM 110 C CA . HIS A 17 15 . -11.865 14.898 17.814 1.00 6.00 ? ? ? ? ? . 15 HIS A CA 17 ATOM 111 C C . HIS A 17 15 . -12.261 15.952 18.951 1.00 6.00 ? ? ? ? ? . 15 HIS A C 17 ATOM 112 O O . HIS A 17 15 . -11.997 16.084 19.835 1.00 8.00 ? ? ? ? ? . 15 HIS A O 17 ATOM 113 C CB . HIS A 17 15 . -10.415 14.634 17.687 1.00 6.00 ? ? ? ? ? . 15 HIS A CB 17 ATOM 114 C CG . HIS A 17 15 . -10.020 13.381 17.498 1.00 6.00 ? ? ? ? ? . 15 HIS A CG 17 ATOM 115 N ND1 . HIS A 17 15 . -9.756 12.986 16.234 1.00 7.00 ? ? ? ? ? . 15 HIS A ND1 17 ATOM 116 C CD2 . HIS A 17 15 . -9.756 12.261 18.319 1.00 6.00 ? ? ? ? ? . 15 HIS A CD2 17 ATOM 117 C CE1 . HIS A 17 15 . -9.426 11.733 16.234 1.00 6.00 ? ? ? ? ? . 15 HIS A CE1 17 ATOM 118 N NE2 . HIS A 17 15 . -9.229 11.206 17.498 1.00 7.00 ? ? ? ? ? . 15 HIS A NE2 17 ATOM 119 N N . GLY A 17 16 . -13.381 16.809 18.761 1.00 7.00 ? ? ? ? ? . 16 GLY A N 17 ATOM 120 C CA . GLY A 17 16 . -13.645 17.996 19.772 1.00 6.00 ? ? ? ? ? . 16 GLY A CA 17 ATOM 121 C C . GLY A 17 16 . -12.788 19.446 19.582 1.00 6.00 ? ? ? ? ? . 16 GLY A C 17 ATOM 122 O O . GLY A 17 16 . -13.184 20.105 20.340 1.00 8.00 ? ? ? ? ? . 16 GLY A O 17 ATOM 123 N N . LEU A 17 17 . -11.865 19.512 18.824 1.00 7.00 ? ? ? ? ? . 17 LEU A N 17 ATOM 124 C CA . LEU A 17 17 . -10.877 20.764 18.635 1.00 6.00 ? ? ? ? ? . 17 LEU A CA 17 ATOM 125 C C . LEU A 17 17 . -11.865 21.885 18.382 1.00 6.00 ? ? ? ? ? . 17 LEU A C 17 ATOM 126 O O . LEU A 17 17 . -11.074 23.071 18.509 1.00 8.00 ? ? ? ? ? . 17 LEU A O 17 ATOM 127 C CB . LEU A 17 17 . -9.888 20.566 18.130 1.00 6.00 ? ? ? ? ? . 17 LEU A CB 17 ATOM 128 C CG . LEU A 17 17 . -8.833 19.775 18.635 1.00 6.00 ? ? ? ? ? . 17 LEU A CG 17 ATOM 129 C CD1 . LEU A 17 17 . -7.449 19.644 18.193 1.00 6.00 ? ? ? ? ? . 17 LEU A CD1 17 ATOM 130 C CD2 . LEU A 17 17 . -8.569 20.435 20.151 1.00 6.00 ? ? ? ? ? . 17 LEU A CD2 17 ATOM 131 N N . ASP A 17 18 . -12.854 21.885 17.435 1.00 7.00 ? ? ? ? ? . 18 ASP A N 17 ATOM 132 C CA . ASP A 17 18 . -13.184 23.071 16.866 1.00 6.00 ? ? ? ? ? . 18 ASP A CA 17 ATOM 133 C C . ASP A 17 18 . -13.975 23.862 17.877 1.00 6.00 ? ? ? ? ? . 18 ASP A C 17 ATOM 134 O O . ASP A 17 18 . -14.304 23.335 18.951 1.00 8.00 ? ? ? ? ? . 18 ASP A O 17 ATOM 135 C CB . ASP A 17 18 . -14.172 22.874 15.792 1.00 6.00 ? ? ? ? ? . 18 ASP A CB 17 ATOM 136 C CG . ASP A 17 18 . -14.502 23.731 15.161 1.00 6.00 ? ? ? ? ? . 18 ASP A CG 17 ATOM 137 O OD1 . ASP A 17 18 . -14.416 24.929 15.012 1.00 8.00 ? ? ? ? ? . 18 ASP A OD1 17 ATOM 138 O OD2 . ASP A 17 18 . -15.437 23.446 13.950 1.00 8.00 ? ? ? ? ? . 18 ASP A OD2 17 ATOM 139 N N . ASN A 17 19 . -13.843 25.181 18.130 1.00 7.00 ? ? ? ? ? . 19 ASN A N 17 ATOM 140 C CA . ASN A 17 19 . -14.172 25.708 19.330 1.00 6.00 ? ? ? ? ? . 19 ASN A CA 17 ATOM 141 C C . ASN A 17 19 . -13.579 25.313 20.593 1.00 6.00 ? ? ? ? ? . 19 ASN A C 17 ATOM 142 O O . ASN A 17 19 . -14.370 25.972 21.162 1.00 8.00 ? ? ? ? ? . 19 ASN A O 17 ATOM 143 C CB . ASN A 17 19 . -15.623 26.104 18.951 1.00 6.00 ? ? ? ? ? . 19 ASN A CB 17 ATOM 144 C CG . ASN A 17 19 . -15.491 27.290 17.687 1.00 6.00 ? ? ? ? ? . 19 ASN A CG 17 ATOM 145 O OD1 . ASN A 17 19 . -14.963 28.477 17.687 1.00 7.00 ? ? ? ? ? . 19 ASN A OD1 17 ATOM 146 N ND2 . ASN A 17 19 . -15.952 26.631 16.803 1.00 7.00 ? ? ? ? ? . 19 ASN A ND2 17 ATOM 147 N N . TYR A 17 20 . -12.788 24.522 20.720 1.00 7.00 ? ? ? ? ? . 20 TYR A N 17 ATOM 148 C CA . TYR A 17 20 . -12.656 24.258 21.857 1.00 6.00 ? ? ? ? ? . 20 TYR A CA 17 ATOM 149 C C . TYR A 17 20 . -11.931 25.049 22.741 1.00 6.00 ? ? ? ? ? . 20 TYR A C 17 ATOM 150 O O . TYR A 17 20 . -11.074 26.104 22.488 1.00 8.00 ? ? ? ? ? . 20 TYR A O 17 ATOM 151 C CB . TYR A 17 20 . -11.536 22.940 21.730 1.00 6.00 ? ? ? ? ? . 20 TYR A CB 17 ATOM 152 C CG . TYR A 17 20 . -11.602 22.412 23.057 1.00 6.00 ? ? ? ? ? . 20 TYR A CG 17 ATOM 153 C CD1 . TYR A 17 20 . -12.656 21.951 23.562 1.00 6.00 ? ? ? ? ? . 20 TYR A CD1 17 ATOM 154 C CD2 . TYR A 17 20 . -10.086 22.676 24.131 1.00 6.00 ? ? ? ? ? . 20 TYR A CD2 17 ATOM 155 C CE1 . TYR A 17 20 . -12.656 20.962 24.889 1.00 6.00 ? ? ? ? ? . 20 TYR A CE1 17 ATOM 156 C CE2 . TYR A 17 20 . -10.086 22.149 25.520 1.00 6.00 ? ? ? ? ? . 20 TYR A CE2 17 ATOM 157 C CZ . TYR A 17 20 . -11.074 21.226 25.899 1.00 6.00 ? ? ? ? ? . 20 TYR A CZ 17 ATOM 158 O OH . TYR A 17 20 . -10.811 20.698 27.352 1.00 8.00 ? ? ? ? ? . 20 TYR A OH 17 ATOM 159 N N . ARG A 17 21 . -12.393 25.181 23.688 1.00 7.00 ? ? ? ? ? . 21 ARG A N 17 ATOM 160 C CA . ARG A 17 21 . -12.195 26.697 24.762 1.00 6.00 ? ? ? ? ? . 21 ARG A CA 17 ATOM 161 C C . ARG A 17 21 . -12.393 27.818 23.941 1.00 6.00 ? ? ? ? ? . 21 ARG A C 17 ATOM 162 O O . ARG A 17 21 . -11.733 28.872 24.004 1.00 8.00 ? ? ? ? ? . 21 ARG A O 17 ATOM 163 C CB . ARG A 17 21 . -10.547 26.697 25.457 1.00 6.00 ? ? ? ? ? . 21 ARG A CB 17 ATOM 164 C CG . ARG A 17 21 . -10.679 26.038 26.531 1.00 6.00 ? ? ? ? ? . 21 ARG A CG 17 ATOM 165 C CD . ARG A 17 21 . -11.668 26.697 27.731 1.00 6.00 ? ? ? ? ? . 21 ARG A CD 17 ATOM 166 N NE . ARG A 17 21 . -11.008 25.708 28.932 1.00 7.00 ? ? ? ? ? . 21 ARG A NE 17 ATOM 167 C CZ . ARG A 17 21 . -10.877 26.367 30.005 1.00 6.00 ? ? ? ? ? . 21 ARG A CZ 17 ATOM 168 N NH1 . ARG A 17 21 . -10.217 28.015 29.816 1.00 7.00 ? ? ? ? ? . 21 ARG A NH1 17 ATOM 169 N NH2 . ARG A 17 21 . -10.679 25.972 31.079 1.00 7.00 ? ? ? ? ? . 21 ARG A NH2 17 ATOM 170 N N . GLY A 17 22 . -13.316 28.015 22.867 1.00 7.00 ? ? ? ? ? . 22 GLY A N 17 ATOM 171 C CA . GLY A 17 22 . -13.513 29.136 22.109 1.00 6.00 ? ? ? ? ? . 22 GLY A CA 17 ATOM 172 C C . GLY A 17 22 . -12.195 29.663 21.162 1.00 6.00 ? ? ? ? ? . 22 GLY A C 17 ATOM 173 O O . GLY A 17 22 . -12.063 30.586 20.467 1.00 8.00 ? ? ? ? ? . 22 GLY A O 17 ATOM 174 N N . TYR A 17 23 . -11.404 28.345 20.846 1.00 7.00 ? ? ? ? ? . 23 TYR A N 17 ATOM 175 C CA . TYR A 17 23 . -10.086 28.609 19.646 1.00 6.00 ? ? ? ? ? . 23 TYR A CA 17 ATOM 176 C C . TYR A 17 23 . -11.206 28.015 18.572 1.00 6.00 ? ? ? ? ? . 23 TYR A C 17 ATOM 177 O O . TYR A 17 23 . -11.140 26.499 18.509 1.00 8.00 ? ? ? ? ? . 23 TYR A O 17 ATOM 178 C CB . TYR A 17 23 . -8.965 28.147 20.214 1.00 6.00 ? ? ? ? ? . 23 TYR A CB 17 ATOM 179 C CG . TYR A 17 23 . -8.438 28.674 21.162 1.00 6.00 ? ? ? ? ? . 23 TYR A CG 17 ATOM 180 C CD1 . TYR A 17 23 . -7.712 29.993 20.846 1.00 6.00 ? ? ? ? ? . 23 TYR A CD1 17 ATOM 181 C CD2 . TYR A 17 23 . -8.240 28.477 22.488 1.00 6.00 ? ? ? ? ? . 23 TYR A CD2 17 ATOM 182 C CE1 . TYR A 17 23 . -7.383 30.652 21.730 1.00 6.00 ? ? ? ? ? . 23 TYR A CE1 17 ATOM 183 C CE2 . TYR A 17 23 . -7.778 29.400 23.373 1.00 6.00 ? ? ? ? ? . 23 TYR A CE2 17 ATOM 184 C CZ . TYR A 17 23 . -7.119 30.586 22.994 1.00 6.00 ? ? ? ? ? . 23 TYR A CZ 17 ATOM 185 O OH . TYR A 17 23 . -6.460 31.377 24.004 1.00 8.00 ? ? ? ? ? . 23 TYR A OH 17 ATOM 186 N N . SER A 17 24 . -11.206 28.674 17.182 1.00 7.00 ? ? ? ? ? . 24 SER A N 17 ATOM 187 C CA . SER A 17 24 . -11.338 28.147 16.171 1.00 6.00 ? ? ? ? ? . 24 SER A CA 17 ATOM 188 C C . SER A 17 24 . -10.877 27.158 15.161 1.00 6.00 ? ? ? ? ? . 24 SER A C 17 ATOM 189 O O . SER A 17 24 . -9.492 27.422 15.666 1.00 8.00 ? ? ? ? ? . 24 SER A O 17 ATOM 190 C CB . SER A 17 24 . -11.074 29.400 15.034 1.00 6.00 ? ? ? ? ? . 24 SER A CB 17 ATOM 191 O OG . SER A 17 24 . -11.008 28.674 13.771 1.00 8.00 ? ? ? ? ? . 24 SER A OG 17 ATOM 192 N N . LEU A 17 25 . -11.602 26.170 14.529 1.00 7.00 ? ? ? ? ? . 25 LEU A N 17 ATOM 193 C CA . LEU A 17 25 . -10.547 25.379 13.897 1.00 6.00 ? ? ? ? ? . 25 LEU A CA 17 ATOM 194 C C . LEU A 17 25 . -9.295 25.576 13.266 1.00 6.00 ? ? ? ? ? . 25 LEU A C 17 ATOM 195 O O . LEU A 17 25 . -8.108 24.851 13.266 1.00 8.00 ? ? ? ? ? . 25 LEU A O 17 ATOM 196 C CB . LEU A 17 25 . -11.206 24.456 13.266 1.00 6.00 ? ? ? ? ? . 25 LEU A CB 17 ATOM 197 C CG . LEU A 17 25 . -11.074 23.137 13.266 1.00 6.00 ? ? ? ? ? . 25 LEU A CG 17 ATOM 198 C CD1 . LEU A 17 25 . -11.733 22.412 11.876 1.00 6.00 ? ? ? ? ? . 25 LEU A CD1 17 ATOM 199 C CD2 . LEU A 17 25 . -9.888 22.478 12.255 1.00 6.00 ? ? ? ? ? . 25 LEU A CD2 17 ATOM 200 N N . GLY A 17 26 . -8.965 26.433 12.760 1.00 7.00 ? ? ? ? ? . 26 GLY A N 17 ATOM 201 C CA . GLY A 17 26 . -8.174 27.224 12.002 1.00 6.00 ? ? ? ? ? . 26 GLY A CA 17 ATOM 202 C C . GLY A 17 26 . -7.119 27.488 12.634 1.00 6.00 ? ? ? ? ? . 26 GLY A C 17 ATOM 203 O O . GLY A 17 26 . -5.867 27.488 12.634 1.00 8.00 ? ? ? ? ? . 26 GLY A O 17 ATOM 204 N N . ASN A 17 27 . -7.053 27.686 14.024 1.00 7.00 ? ? ? ? ? . 27 ASN A N 17 ATOM 205 C CA . ASN A 17 27 . -6.262 28.279 15.161 1.00 6.00 ? ? ? ? ? . 27 ASN A CA 17 ATOM 206 C C . ASN A 17 27 . -5.273 27.026 15.224 1.00 6.00 ? ? ? ? ? . 27 ASN A C 17 ATOM 207 O O . ASN A 17 27 . -3.955 27.554 15.161 1.00 8.00 ? ? ? ? ? . 27 ASN A O 17 ATOM 208 C CB . ASN A 17 27 . -6.592 28.543 16.424 1.00 6.00 ? ? ? ? ? . 27 ASN A CB 17 ATOM 209 C CG . ASN A 17 27 . -6.790 30.059 16.424 1.00 6.00 ? ? ? ? ? . 27 ASN A CG 17 ATOM 210 O OD1 . ASN A 17 27 . -6.460 31.113 16.614 1.00 7.00 ? ? ? ? ? . 27 ASN A OD1 17 ATOM 211 N ND2 . ASN A 17 27 . -8.569 30.784 16.298 1.00 7.00 ? ? ? ? ? . 27 ASN A ND2 17 ATOM 212 N N . TRP A 17 28 . -5.933 25.840 15.287 1.00 7.00 ? ? ? ? ? . 28 TRP A N 17 ATOM 213 C CA . TRP A 17 28 . -5.603 24.588 15.540 1.00 6.00 ? ? ? ? ? . 28 TRP A CA 17 ATOM 214 C C . TRP A 17 28 . -4.746 23.862 14.403 1.00 6.00 ? ? ? ? ? . 28 TRP A C 17 ATOM 215 O O . TRP A 17 28 . -3.823 23.203 14.403 1.00 8.00 ? ? ? ? ? . 28 TRP A O 17 ATOM 216 C CB . TRP A 17 28 . -6.658 23.533 15.792 1.00 6.00 ? ? ? ? ? . 28 TRP A CB 17 ATOM 217 C CG . TRP A 17 28 . -7.449 23.928 17.182 1.00 6.00 ? ? ? ? ? . 28 TRP A CG 17 ATOM 218 C CD1 . TRP A 17 28 . -8.504 24.588 17.308 1.00 6.00 ? ? ? ? ? . 28 TRP A CD1 17 ATOM 219 C CD2 . TRP A 17 28 . -6.856 23.599 18.572 1.00 6.00 ? ? ? ? ? . 28 TRP A CD2 17 ATOM 220 N NE1 . TRP A 17 28 . -8.701 24.456 18.698 1.00 7.00 ? ? ? ? ? . 28 TRP A NE1 17 ATOM 221 C CE2 . TRP A 17 28 . -7.910 24.060 19.456 1.00 6.00 ? ? ? ? ? . 28 TRP A CE2 17 ATOM 222 C CE3 . TRP A 17 28 . -5.801 23.137 18.951 1.00 6.00 ? ? ? ? ? . 28 TRP A CE3 17 ATOM 223 C CZ2 . TRP A 17 28 . -7.712 24.192 20.846 1.00 6.00 ? ? ? ? ? . 28 TRP A CZ2 17 ATOM 224 C CZ3 . TRP A 17 28 . -5.471 23.269 20.404 1.00 6.00 ? ? ? ? ? . 28 TRP A CZ3 17 ATOM 225 C CH2 . TRP A 17 28 . -6.526 23.533 21.288 1.00 6.00 ? ? ? ? ? . 28 TRP A CH2 17 ATOM 226 N N . VAL A 17 29 . -5.076 24.192 13.266 1.00 7.00 ? ? ? ? ? . 29 VAL A N 17 ATOM 227 C CA . VAL A 17 29 . -4.614 23.731 11.876 1.00 6.00 ? ? ? ? ? . 29 VAL A CA 17 ATOM 228 C C . VAL A 17 29 . -3.362 24.588 11.560 1.00 6.00 ? ? ? ? ? . 29 VAL A C 17 ATOM 229 O O . VAL A 17 29 . -2.241 24.258 11.244 1.00 8.00 ? ? ? ? ? . 29 VAL A O 17 ATOM 230 C CB . VAL A 17 29 . -5.801 23.731 10.802 1.00 6.00 ? ? ? ? ? . 29 VAL A CB 17 ATOM 231 C CG1 . VAL A 17 29 . -4.944 23.599 9.665 1.00 6.00 ? ? ? ? ? . 29 VAL A CG1 17 ATOM 232 C CG2 . VAL A 17 29 . -6.724 22.676 11.244 1.00 6.00 ? ? ? ? ? . 29 VAL A CG2 17 ATOM 233 N N . CYS A 17 30 . -3.362 25.840 11.686 1.00 7.00 ? ? ? ? ? . 30 CYS A N 17 ATOM 234 C CA . CYS A 17 30 . -2.109 26.697 11.560 1.00 6.00 ? ? ? ? ? . 30 CYS A CA 17 ATOM 235 C C . CYS A 17 30 . -1.318 26.631 12.571 1.00 6.00 ? ? ? ? ? . 30 CYS A C 17 ATOM 236 O O . CYS A 17 30 . 0.000 26.367 12.507 1.00 8.00 ? ? ? ? ? . 30 CYS A O 17 ATOM 237 C CB . CYS A 17 30 . -2.703 28.345 11.497 1.00 6.00 ? ? ? ? ? . 30 CYS A CB 17 ATOM 238 S SG . CYS A 17 30 . -1.450 29.465 11.560 1.00 16.00 ? ? ? ? ? . 30 CYS A SG 17 ATOM 239 N N . ALA A 17 31 . -1.318 26.104 13.645 1.00 7.00 ? ? ? ? ? . 31 ALA A N 17 ATOM 240 C CA . ALA A 17 31 . -0.791 25.840 14.718 1.00 6.00 ? ? ? ? ? . 31 ALA A CA 17 ATOM 241 C C . ALA A 17 31 . 0.198 24.588 14.655 1.00 6.00 ? ? ? ? ? . 31 ALA A C 17 ATOM 242 O O . ALA A 17 31 . 1.318 24.851 14.971 1.00 8.00 ? ? ? ? ? . 31 ALA A O 17 ATOM 243 C CB . ALA A 17 31 . -1.187 25.708 16.677 1.00 6.00 ? ? ? ? ? . 31 ALA A CB 17 ATOM 244 N N . ALA A 17 32 . -0.198 23.665 14.087 1.00 7.00 ? ? ? ? ? . 32 ALA A N 17 ATOM 245 C CA . ALA A 17 32 . -0.198 22.478 14.592 1.00 6.00 ? ? ? ? ? . 32 ALA A CA 17 ATOM 246 C C . ALA A 17 32 . 0.989 22.742 12.634 1.00 6.00 ? ? ? ? ? . 32 ALA A C 17 ATOM 247 O O . ALA A 17 32 . 2.043 21.819 12.381 1.00 8.00 ? ? ? ? ? . 32 ALA A O 17 ATOM 248 C CB . ALA A 17 32 . -0.725 21.160 13.897 1.00 6.00 ? ? ? ? ? . 32 ALA A CB 17 ATOM 249 N N . LYS A 17 33 . 0.659 23.599 11.876 1.00 7.00 ? ? ? ? ? . 33 LYS A N 17 ATOM 250 C CA . LYS A 17 33 . 1.384 23.467 10.612 1.00 6.00 ? ? ? ? ? . 33 LYS A CA 17 ATOM 251 C C . LYS A 17 33 . 2.834 23.862 10.865 1.00 6.00 ? ? ? ? ? . 33 LYS A C 17 ATOM 252 O O . LYS A 17 33 . 3.955 23.599 10.612 1.00 8.00 ? ? ? ? ? . 33 LYS A O 17 ATOM 253 C CB . LYS A 17 33 . 0.791 24.653 9.854 1.00 6.00 ? ? ? ? ? . 33 LYS A CB 17 ATOM 254 C CG . LYS A 17 33 . 1.912 25.049 8.781 1.00 6.00 ? ? ? ? ? . 33 LYS A CG 17 ATOM 255 C CD . LYS A 17 33 . 1.846 24.653 7.454 1.00 6.00 ? ? ? ? ? . 33 LYS A CD 17 ATOM 256 C CE . LYS A 17 33 . 2.900 24.917 6.506 1.00 6.00 ? ? ? ? ? . 33 LYS A CE 17 ATOM 257 N NZ . LYS A 17 33 . 3.098 24.522 5.306 1.00 7.00 ? ? ? ? ? . 33 LYS A NZ 17 ATOM 258 N N . PHE A 17 34 . 2.966 25.379 11.370 1.00 7.00 ? ? ? ? ? . 34 PHE A N 17 ATOM 259 C CA . PHE A 17 34 . 3.955 25.906 11.749 1.00 6.00 ? ? ? ? ? . 34 PHE A CA 17 ATOM 260 C C . PHE A 17 34 . 4.614 25.247 12.887 1.00 6.00 ? ? ? ? ? . 34 PHE A C 17 ATOM 261 O O . PHE A 17 34 . 5.801 25.379 12.887 1.00 8.00 ? ? ? ? ? . 34 PHE A O 17 ATOM 262 C CB . PHE A 17 34 . 3.494 27.356 12.002 1.00 6.00 ? ? ? ? ? . 34 PHE A CB 17 ATOM 263 C CG . PHE A 17 34 . 3.362 27.949 10.612 1.00 6.00 ? ? ? ? ? . 34 PHE A CG 17 ATOM 264 C CD1 . PHE A 17 34 . 2.241 29.004 10.297 1.00 6.00 ? ? ? ? ? . 34 PHE A CD1 17 ATOM 265 C CD2 . PHE A 17 34 . 4.614 27.949 9.728 1.00 6.00 ? ? ? ? ? . 34 PHE A CD2 17 ATOM 266 C CE1 . PHE A 17 34 . 1.978 29.663 9.160 1.00 6.00 ? ? ? ? ? . 34 PHE A CE1 17 ATOM 267 C CE2 . PHE A 17 34 . 4.417 28.674 8.402 1.00 6.00 ? ? ? ? ? . 34 PHE A CE2 17 ATOM 268 C CZ . PHE A 17 34 . 3.164 29.400 8.212 1.00 6.00 ? ? ? ? ? . 34 PHE A CZ 17 ATOM 269 N N . GLU A 17 35 . 3.889 24.653 13.771 1.00 7.00 ? ? ? ? ? . 35 GLU A N 17 ATOM 270 C CA . GLU A 17 35 . 4.680 23.796 14.971 1.00 6.00 ? ? ? ? ? . 35 GLU A CA 17 ATOM 271 C C . GLU A 17 35 . 5.273 22.412 14.529 1.00 6.00 ? ? ? ? ? . 35 GLU A C 17 ATOM 272 O O . GLU A 17 35 . 6.526 22.149 14.845 1.00 8.00 ? ? ? ? ? . 35 GLU A O 17 ATOM 273 C CB . GLU A 17 35 . 4.087 23.599 15.982 1.00 6.00 ? ? ? ? ? . 35 GLU A CB 17 ATOM 274 C CG . GLU A 17 35 . 3.757 23.665 17.308 1.00 6.00 ? ? ? ? ? . 35 GLU A CG 17 ATOM 275 C CD . GLU A 17 35 . 4.680 24.522 17.940 1.00 6.00 ? ? ? ? ? . 35 GLU A CD 17 ATOM 276 O OE1 . GLU A 17 35 . 5.603 24.588 17.687 1.00 8.00 ? ? ? ? ? . 35 GLU A OE1 17 ATOM 277 O OE2 . GLU A 17 35 . 4.153 25.642 18.509 1.00 8.00 ? ? ? ? ? . 35 GLU A OE2 17 ATOM 278 N N . SER A 17 36 . 4.680 21.687 13.834 1.00 7.00 ? ? ? ? ? . 36 SER A N 17 ATOM 279 C CA . SER A 17 36 . 4.878 20.435 13.455 1.00 6.00 ? ? ? ? ? . 36 SER A CA 17 ATOM 280 C C . SER A 17 36 . 5.142 20.039 11.876 1.00 6.00 ? ? ? ? ? . 36 SER A C 17 ATOM 281 O O . SER A 17 36 . 5.669 18.919 11.370 1.00 8.00 ? ? ? ? ? . 36 SER A O 17 ATOM 282 C CB . SER A 17 36 . 4.285 19.446 14.024 1.00 6.00 ? ? ? ? ? . 36 SER A CB 17 ATOM 283 O OG . SER A 17 36 . 2.966 19.116 13.266 1.00 8.00 ? ? ? ? ? . 36 SER A OG 17 ATOM 284 N N . ASN A 17 37 . 4.614 20.896 11.118 1.00 7.00 ? ? ? ? ? . 37 ASN A N 17 ATOM 285 C CA . ASN A 17 37 . 4.680 20.632 9.665 1.00 6.00 ? ? ? ? ? . 37 ASN A CA 17 ATOM 286 C C . ASN A 17 37 . 3.691 19.380 9.096 1.00 6.00 ? ? ? ? ? . 37 ASN A C 17 ATOM 287 O O . ASN A 17 37 . 3.691 19.380 7.959 1.00 8.00 ? ? ? ? ? . 37 ASN A O 17 ATOM 288 C CB . ASN A 17 37 . 5.735 20.896 9.033 1.00 6.00 ? ? ? ? ? . 37 ASN A CB 17 ATOM 289 C CG . ASN A 17 37 . 5.867 21.687 7.707 1.00 6.00 ? ? ? ? ? . 37 ASN A CG 17 ATOM 290 O OD1 . ASN A 17 37 . 5.273 22.478 7.391 1.00 7.00 ? ? ? ? ? . 37 ASN A OD1 17 ATOM 291 N ND2 . ASN A 17 37 . 6.790 21.358 7.075 1.00 7.00 ? ? ? ? ? . 37 ASN A ND2 17 ATOM 292 N N . PHE A 17 38 . 2.637 18.984 9.854 1.00 7.00 ? ? ? ? ? . 38 PHE A N 17 ATOM 293 C CA . PHE A 17 38 . 1.780 18.062 9.475 1.00 6.00 ? ? ? ? ? . 38 PHE A CA 17 ATOM 294 C C . PHE A 17 38 . 1.978 16.743 9.602 1.00 6.00 ? ? ? ? ? . 38 PHE A C 17 ATOM 295 O O . PHE A 17 38 . 1.318 15.952 9.602 1.00 8.00 ? ? ? ? ? . 38 PHE A O 17 ATOM 296 C CB . PHE A 17 38 . 0.791 18.457 7.959 1.00 6.00 ? ? ? ? ? . 38 PHE A CB 17 ATOM 297 C CG . PHE A 17 38 . 0.132 19.644 7.959 1.00 6.00 ? ? ? ? ? . 38 PHE A CG 17 ATOM 298 C CD1 . PHE A 17 38 . 0.000 20.303 9.160 1.00 6.00 ? ? ? ? ? . 38 PHE A CD1 17 ATOM 299 C CD2 . PHE A 17 38 . 0.000 20.303 6.759 1.00 6.00 ? ? ? ? ? . 38 PHE A CD2 17 ATOM 300 C CE1 . PHE A 17 38 . -0.989 21.687 9.096 1.00 6.00 ? ? ? ? ? . 38 PHE A CE1 17 ATOM 301 C CE2 . PHE A 17 38 . -0.989 21.687 6.696 1.00 6.00 ? ? ? ? ? . 38 PHE A CE2 17 ATOM 302 C CZ . PHE A 17 38 . -1.187 22.017 7.833 1.00 6.00 ? ? ? ? ? . 38 PHE A CZ 17 ATOM 303 N N . ASN A 17 39 . 3.296 16.941 10.107 1.00 7.00 ? ? ? ? ? . 39 ASN A N 17 ATOM 304 C CA . ASN A 17 39 . 4.021 15.754 10.676 1.00 6.00 ? ? ? ? ? . 39 ASN A CA 17 ATOM 305 C C . ASN A 17 39 . 4.153 15.557 12.192 1.00 6.00 ? ? ? ? ? . 39 ASN A C 17 ATOM 306 O O . ASN A 17 39 . 4.680 16.150 13.076 1.00 8.00 ? ? ? ? ? . 39 ASN A O 17 ATOM 307 C CB . ASN A 17 39 . 5.801 15.820 10.423 1.00 6.00 ? ? ? ? ? . 39 ASN A CB 17 ATOM 308 C CG . ASN A 17 39 . 6.460 14.634 10.360 1.00 6.00 ? ? ? ? ? . 39 ASN A CG 17 ATOM 309 O OD1 . ASN A 17 39 . 5.933 13.316 10.739 1.00 7.00 ? ? ? ? ? . 39 ASN A OD1 17 ATOM 310 N ND2 . ASN A 17 39 . 7.581 14.634 9.981 1.00 7.00 ? ? ? ? ? . 39 ASN A ND2 17 ATOM 311 N N . THR A 17 40 . 3.230 14.502 12.318 1.00 7.00 ? ? ? ? ? . 40 THR A N 17 ATOM 312 C CA . THR A 17 40 . 2.966 13.843 13.771 1.00 6.00 ? ? ? ? ? . 40 THR A CA 17 ATOM 313 C C . THR A 17 40 . 4.482 12.986 14.529 1.00 6.00 ? ? ? ? ? . 40 THR A C 17 ATOM 314 O O . THR A 17 40 . 4.285 12.854 15.476 1.00 8.00 ? ? ? ? ? . 40 THR A O 17 ATOM 315 C CB . THR A 17 40 . 1.978 12.722 13.645 1.00 6.00 ? ? ? ? ? . 40 THR A CB 17 ATOM 316 O OG1 . THR A 17 40 . 2.373 11.799 12.571 1.00 8.00 ? ? ? ? ? . 40 THR A OG1 17 ATOM 317 C CG2 . THR A 17 40 . 0.725 12.986 13.392 1.00 6.00 ? ? ? ? ? . 40 THR A CG2 17 ATOM 318 N N . GLN A 17 41 . 5.142 12.854 13.834 1.00 7.00 ? ? ? ? ? . 41 GLN A N 17 ATOM 319 C CA . GLN A 17 41 . 6.724 12.063 14.339 1.00 6.00 ? ? ? ? ? . 41 GLN A CA 17 ATOM 320 C C . GLN A 17 41 . 7.581 12.788 14.782 1.00 6.00 ? ? ? ? ? . 41 GLN A C 17 ATOM 321 O O . GLN A 17 41 . 8.438 13.052 15.666 1.00 8.00 ? ? ? ? ? . 41 GLN A O 17 ATOM 322 C CB . GLN A 17 41 . 7.251 11.206 13.202 1.00 6.00 ? ? ? ? ? . 41 GLN A CB 17 ATOM 323 C CG . GLN A 17 41 . 6.724 9.822 12.950 1.00 6.00 ? ? ? ? ? . 41 GLN A CG 17 ATOM 324 C CD . GLN A 17 41 . 7.581 8.965 12.128 1.00 6.00 ? ? ? ? ? . 41 GLN A CD 17 ATOM 325 O OE1 . GLN A 17 41 . 7.581 8.965 11.055 1.00 7.00 ? ? ? ? ? . 41 GLN A OE1 17 ATOM 326 N NE2 . GLN A 17 41 . 8.438 8.240 12.760 1.00 7.00 ? ? ? ? ? . 41 GLN A NE2 17 ATOM 327 N N . ALA A 17 42 . 7.581 14.304 14.213 1.00 7.00 ? ? ? ? ? . 42 ALA A N 17 ATOM 328 C CA . ALA A 17 42 . 8.569 15.293 14.339 1.00 6.00 ? ? ? ? ? . 42 ALA A CA 17 ATOM 329 C C . ALA A 17 42 . 8.767 15.425 15.919 1.00 6.00 ? ? ? ? ? . 42 ALA A C 17 ATOM 330 O O . ALA A 17 42 . 8.042 15.029 16.740 1.00 8.00 ? ? ? ? ? . 42 ALA A O 17 ATOM 331 C CB . ALA A 17 42 . 7.910 16.545 13.771 1.00 6.00 ? ? ? ? ? . 42 ALA A CB 17 ATOM 332 N N . THR A 17 43 . 10.151 15.491 16.298 1.00 7.00 ? ? ? ? ? . 43 THR A N 17 ATOM 333 C CA . THR A 17 43 . 10.481 15.623 17.751 1.00 6.00 ? ? ? ? ? . 43 THR A CA 17 ATOM 334 C C . THR A 17 43 . 11.536 16.941 17.687 1.00 6.00 ? ? ? ? ? . 43 THR A C 17 ATOM 335 O O . THR A 17 43 . 12.063 17.139 16.993 1.00 8.00 ? ? ? ? ? . 43 THR A O 17 ATOM 336 C CB . THR A 17 43 . 11.206 14.370 17.814 1.00 6.00 ? ? ? ? ? . 43 THR A CB 17 ATOM 337 O OG1 . THR A 17 43 . 12.590 14.238 16.803 1.00 8.00 ? ? ? ? ? . 43 THR A OG1 17 ATOM 338 C CG2 . THR A 17 43 . 10.415 12.986 17.561 1.00 6.00 ? ? ? ? ? . 43 THR A CG2 17 ATOM 339 N N . ASN A 17 44 . 11.733 17.666 18.951 1.00 7.00 ? ? ? ? ? . 44 ASN A N 17 ATOM 340 C CA . ASN A 17 44 . 12.195 18.787 19.077 1.00 6.00 ? ? ? ? ? . 44 ASN A CA 17 ATOM 341 C C . ASN A 17 44 . 12.854 18.984 20.530 1.00 6.00 ? ? ? ? ? . 44 ASN A C 17 ATOM 342 O O . ASN A 17 44 . 12.393 19.116 21.035 1.00 8.00 ? ? ? ? ? . 44 ASN A O 17 ATOM 343 C CB . ASN A 17 44 . 11.931 20.303 18.572 1.00 6.00 ? ? ? ? ? . 44 ASN A CB 17 ATOM 344 C CG . ASN A 17 44 . 12.195 20.105 17.056 1.00 6.00 ? ? ? ? ? . 44 ASN A CG 17 ATOM 345 O OD1 . ASN A 17 44 . 12.854 20.435 16.550 1.00 7.00 ? ? ? ? ? . 44 ASN A OD1 17 ATOM 346 N ND2 . ASN A 17 44 . 10.877 20.105 16.298 1.00 7.00 ? ? ? ? ? . 44 ASN A ND2 17 ATOM 347 N N . ARG A 17 45 . 14.370 19.116 20.656 1.00 7.00 ? ? ? ? ? . 45 ARG A N 17 ATOM 348 C CA . ARG A 17 45 . 14.766 19.248 21.857 1.00 6.00 ? ? ? ? ? . 45 ARG A CA 17 ATOM 349 C C . ARG A 17 45 . 15.293 20.698 22.109 1.00 6.00 ? ? ? ? ? . 45 ARG A C 17 ATOM 350 O O . ARG A 17 45 . 15.886 21.292 21.351 1.00 8.00 ? ? ? ? ? . 45 ARG A O 17 ATOM 351 C CB . ARG A 17 45 . 16.348 18.457 21.920 1.00 6.00 ? ? ? ? ? . 45 ARG A CB 17 ATOM 352 C CG . ARG A 17 45 . 17.007 18.128 23.246 1.00 6.00 ? ? ? ? ? . 45 ARG A CG 17 ATOM 353 C CD . ARG A 17 45 . 17.798 16.809 23.562 1.00 6.00 ? ? ? ? ? . 45 ARG A CD 17 ATOM 354 N NE . ARG A 17 45 . 17.930 16.216 24.762 1.00 7.00 ? ? ? ? ? . 45 ARG A NE 17 ATOM 355 C CZ . ARG A 17 45 . 18.589 15.293 24.952 1.00 6.00 ? ? ? ? ? . 45 ARG A CZ 17 ATOM 356 N NH1 . ARG A 17 45 . 19.446 14.700 23.815 1.00 7.00 ? ? ? ? ? . 45 ARG A NH1 17 ATOM 357 N NH2 . ARG A 17 45 . 18.984 14.832 26.215 1.00 7.00 ? ? ? ? ? . 45 ARG A NH2 17 ATOM 358 N N . ASN A 17 46 . 14.898 21.226 23.373 1.00 7.00 ? ? ? ? ? . 46 ASN A N 17 ATOM 359 C CA . ASN A 17 46 . 15.161 22.676 23.499 1.00 6.00 ? ? ? ? ? . 46 ASN A CA 17 ATOM 360 C C . ASN A 17 46 . 16.677 22.742 24.383 1.00 6.00 ? ? ? ? ? . 46 ASN A C 17 ATOM 361 O O . ASN A 17 46 . 17.139 21.423 24.889 1.00 8.00 ? ? ? ? ? . 46 ASN A O 17 ATOM 362 C CB . ASN A 17 46 . 13.513 23.071 23.815 1.00 6.00 ? ? ? ? ? . 46 ASN A CB 17 ATOM 363 C CG . ASN A 17 46 . 12.656 22.676 23.183 1.00 6.00 ? ? ? ? ? . 46 ASN A CG 17 ATOM 364 O OD1 . ASN A 17 46 . 11.997 21.951 23.752 1.00 7.00 ? ? ? ? ? . 46 ASN A OD1 17 ATOM 365 N ND2 . ASN A 17 46 . 12.393 23.071 22.741 1.00 7.00 ? ? ? ? ? . 46 ASN A ND2 17 ATOM 366 N N . THR A 17 47 . 17.271 23.401 25.268 1.00 7.00 ? ? ? ? ? . 47 THR A N 17 ATOM 367 C CA . THR A 17 47 . 18.589 23.071 26.026 1.00 6.00 ? ? ? ? ? . 47 THR A CA 17 ATOM 368 C C . THR A 17 47 . 18.457 22.280 27.542 1.00 6.00 ? ? ? ? ? . 47 THR A C 17 ATOM 369 O O . THR A 17 47 . 19.446 21.885 27.794 1.00 8.00 ? ? ? ? ? . 47 THR A O 17 ATOM 370 C CB . THR A 17 47 . 19.116 24.522 26.152 1.00 6.00 ? ? ? ? ? . 47 THR A CB 17 ATOM 371 O OG1 . THR A 17 47 . 18.457 25.049 25.394 1.00 8.00 ? ? ? ? ? . 47 THR A OG1 17 ATOM 372 C CG2 . THR A 17 47 . 20.567 24.390 25.710 1.00 6.00 ? ? ? ? ? . 47 THR A CG2 17 ATOM 373 N N . ASP A 17 48 . 17.139 22.544 27.921 1.00 7.00 ? ? ? ? ? . 48 ASP A N 17 ATOM 374 C CA . ASP A 17 48 . 17.007 21.819 29.500 1.00 6.00 ? ? ? ? ? . 48 ASP A CA 17 ATOM 375 C C . ASP A 17 48 . 16.545 20.501 29.626 1.00 6.00 ? ? ? ? ? . 48 ASP A C 17 ATOM 376 O O . ASP A 17 48 . 15.886 20.303 30.637 1.00 8.00 ? ? ? ? ? . 48 ASP A O 17 ATOM 377 C CB . ASP A 17 48 . 15.754 22.874 30.005 1.00 6.00 ? ? ? ? ? . 48 ASP A CB 17 ATOM 378 C CG . ASP A 17 48 . 14.634 22.544 29.563 1.00 6.00 ? ? ? ? ? . 48 ASP A CG 17 ATOM 379 O OD1 . ASP A 17 48 . 14.436 22.412 28.553 1.00 7.00 ? ? ? ? ? . 48 ASP A OD1 17 ATOM 380 O OD2 . ASP A 17 48 . 13.645 22.346 30.511 1.00 7.00 ? ? ? ? ? . 48 ASP A OD2 17 ATOM 381 N N . GLY A 17 49 . 16.809 19.512 28.742 1.00 7.00 ? ? ? ? ? . 49 GLY A N 17 ATOM 382 C CA . GLY A 17 49 . 16.480 17.930 28.805 1.00 6.00 ? ? ? ? ? . 49 GLY A CA 17 ATOM 383 C C . GLY A 17 49 . 15.227 18.128 27.794 1.00 6.00 ? ? ? ? ? . 49 GLY A C 17 ATOM 384 O O . GLY A 17 49 . 15.293 17.732 26.847 1.00 8.00 ? ? ? ? ? . 49 GLY A O 17 ATOM 385 N N . SER A 17 50 . 14.370 18.457 28.237 1.00 7.00 ? ? ? ? ? . 50 SER A N 17 ATOM 386 C CA . SER A 17 50 . 13.184 18.787 27.605 1.00 6.00 ? ? ? ? ? . 50 SER A CA 17 ATOM 387 C C . SER A 17 50 . 12.854 18.457 25.899 1.00 6.00 ? ? ? ? ? . 50 SER A C 17 ATOM 388 O O . SER A 17 50 . 14.041 19.116 25.268 1.00 8.00 ? ? ? ? ? . 50 SER A O 17 ATOM 389 C CB . SER A 17 50 . 12.393 19.907 27.921 1.00 6.00 ? ? ? ? ? . 50 SER A CB 17 ATOM 390 O OG . SER A 17 50 . 11.865 20.435 26.847 1.00 8.00 ? ? ? ? ? . 50 SER A OG 17 ATOM 391 N N . THR A 17 51 . 12.524 18.062 25.710 1.00 7.00 ? ? ? ? ? . 51 THR A N 17 ATOM 392 C CA . THR A 17 51 . 11.931 17.798 24.257 1.00 6.00 ? ? ? ? ? . 51 THR A CA 17 ATOM 393 C C . THR A 17 51 . 10.547 17.864 24.004 1.00 6.00 ? ? ? ? ? . 51 THR A C 17 ATOM 394 O O . THR A 17 51 . 9.756 17.732 24.636 1.00 8.00 ? ? ? ? ? . 51 THR A O 17 ATOM 395 C CB . THR A 17 51 . 12.524 16.150 24.067 1.00 6.00 ? ? ? ? ? . 51 THR A CB 17 ATOM 396 O OG1 . THR A 17 51 . 13.777 15.952 24.004 1.00 8.00 ? ? ? ? ? . 51 THR A OG1 17 ATOM 397 C CG2 . THR A 17 51 . 11.865 15.820 22.867 1.00 6.00 ? ? ? ? ? . 51 THR A CG2 17 ATOM 398 N N . ASP A 17 52 . 10.020 17.996 22.741 1.00 7.00 ? ? ? ? ? . 52 ASP A N 17 ATOM 399 C CA . ASP A 17 52 . 8.899 18.457 22.109 1.00 6.00 ? ? ? ? ? . 52 ASP A CA 17 ATOM 400 C C . ASP A 17 52 . 8.569 17.468 20.972 1.00 6.00 ? ? ? ? ? . 52 ASP A C 17 ATOM 401 O O . ASP A 17 52 . 9.426 17.139 20.404 1.00 8.00 ? ? ? ? ? . 52 ASP A O 17 ATOM 402 C CB . ASP A 17 52 . 9.097 19.841 21.351 1.00 6.00 ? ? ? ? ? . 52 ASP A CB 17 ATOM 403 C CG . ASP A 17 52 . 8.965 20.830 22.172 1.00 6.00 ? ? ? ? ? . 52 ASP A CG 17 ATOM 404 O OD1 . ASP A 17 52 . 8.965 20.830 23.373 1.00 8.00 ? ? ? ? ? . 52 ASP A OD1 17 ATOM 405 O OD2 . ASP A 17 52 . 9.031 22.083 21.857 1.00 8.00 ? ? ? ? ? . 52 ASP A OD2 17 ATOM 406 N N . TYR A 17 53 . 7.581 16.545 21.035 1.00 7.00 ? ? ? ? ? . 53 TYR A N 17 ATOM 407 C CA . TYR A 17 53 . 6.987 15.623 20.277 1.00 6.00 ? ? ? ? ? . 53 TYR A CA 17 ATOM 408 C C . TYR A 17 53 . 5.933 15.820 19.519 1.00 6.00 ? ? ? ? ? . 53 TYR A C 17 ATOM 409 O O . TYR A 17 53 . 4.614 16.216 20.151 1.00 8.00 ? ? ? ? ? . 53 TYR A O 17 ATOM 410 C CB . TYR A 17 53 . 6.724 14.502 21.225 1.00 6.00 ? ? ? ? ? . 53 TYR A CB 17 ATOM 411 C CG . TYR A 17 53 . 7.910 13.975 22.046 1.00 6.00 ? ? ? ? ? . 53 TYR A CG 17 ATOM 412 C CD1 . TYR A 17 53 . 8.767 12.920 21.604 1.00 6.00 ? ? ? ? ? . 53 TYR A CD1 17 ATOM 413 C CD2 . TYR A 17 53 . 8.108 14.502 23.183 1.00 6.00 ? ? ? ? ? . 53 TYR A CD2 17 ATOM 414 C CE1 . TYR A 17 53 . 9.756 12.524 22.362 1.00 6.00 ? ? ? ? ? . 53 TYR A CE1 17 ATOM 415 C CE2 . TYR A 17 53 . 9.163 14.304 24.004 1.00 6.00 ? ? ? ? ? . 53 TYR A CE2 17 ATOM 416 C CZ . TYR A 17 53 . 10.020 13.184 23.499 1.00 6.00 ? ? ? ? ? . 53 TYR A CZ 17 ATOM 417 O OH . TYR A 17 53 . 11.338 12.920 24.257 1.00 8.00 ? ? ? ? ? . 53 TYR A OH 17 ATOM 418 N N . GLY A 17 54 . 5.405 15.425 18.319 1.00 7.00 ? ? ? ? ? . 54 GLY A N 17 ATOM 419 C CA . GLY A 17 54 . 4.087 15.161 17.687 1.00 6.00 ? ? ? ? ? . 54 GLY A CA 17 ATOM 420 C C . GLY A 17 54 . 3.757 16.480 17.119 1.00 6.00 ? ? ? ? ? . 54 GLY A C 17 ATOM 421 O O . GLY A 17 54 . 4.285 17.600 17.182 1.00 8.00 ? ? ? ? ? . 54 GLY A O 17 ATOM 422 N N . ILE A 17 55 . 2.637 16.282 16.424 1.00 7.00 ? ? ? ? ? . 55 ILE A N 17 ATOM 423 C CA . ILE A 17 55 . 1.846 17.600 15.413 1.00 6.00 ? ? ? ? ? . 55 ILE A CA 17 ATOM 424 C C . ILE A 17 55 . 1.912 18.391 16.424 1.00 6.00 ? ? ? ? ? . 55 ILE A C 17 ATOM 425 O O . ILE A 17 55 . 1.780 19.775 15.919 1.00 8.00 ? ? ? ? ? . 55 ILE A O 17 ATOM 426 C CB . ILE A 17 55 . 0.527 16.875 15.161 1.00 6.00 ? ? ? ? ? . 55 ILE A CB 17 ATOM 427 C CG1 . ILE A 17 55 . -0.264 17.600 13.897 1.00 6.00 ? ? ? ? ? . 55 ILE A CG1 17 ATOM 428 C CG2 . ILE A 17 55 . -0.659 17.007 16.424 1.00 6.00 ? ? ? ? ? . 55 ILE A CG2 17 ATOM 429 C CD1 . ILE A 17 55 . 0.395 17.139 12.634 1.00 6.00 ? ? ? ? ? . 55 ILE A CD1 17 ATOM 430 N N . LEU A 17 56 . 1.912 18.457 17.687 1.00 7.00 ? ? ? ? ? . 56 LEU A N 17 ATOM 431 C CA . LEU A 17 56 . 1.187 19.775 18.319 1.00 6.00 ? ? ? ? ? . 56 LEU A CA 17 ATOM 432 C C . LEU A 17 56 . 2.175 20.237 19.456 1.00 6.00 ? ? ? ? ? . 56 LEU A C 17 ATOM 433 O O . LEU A 17 56 . 1.978 21.094 19.961 1.00 8.00 ? ? ? ? ? . 56 LEU A O 17 ATOM 434 C CB . LEU A 17 56 . 0.000 19.578 18.951 1.00 6.00 ? ? ? ? ? . 56 LEU A CB 17 ATOM 435 C CG . LEU A 17 56 . -0.989 20.303 18.951 1.00 6.00 ? ? ? ? ? . 56 LEU A CG 17 ATOM 436 C CD1 . LEU A 17 56 . -1.187 21.094 17.561 1.00 6.00 ? ? ? ? ? . 56 LEU A CD1 17 ATOM 437 C CD2 . LEU A 17 56 . -2.769 19.973 18.951 1.00 6.00 ? ? ? ? ? . 56 LEU A CD2 17 ATOM 438 N N . GLN A 17 57 . 3.494 19.775 19.203 1.00 7.00 ? ? ? ? ? . 57 GLN A N 17 ATOM 439 C CA . GLN A 17 57 . 4.746 19.907 20.025 1.00 6.00 ? ? ? ? ? . 57 GLN A CA 17 ATOM 440 C C . GLN A 17 57 . 4.548 19.841 21.478 1.00 6.00 ? ? ? ? ? . 57 GLN A C 17 ATOM 441 O O . GLN A 17 57 . 5.273 20.764 21.920 1.00 8.00 ? ? ? ? ? . 57 GLN A O 17 ATOM 442 C CB . GLN A 17 57 . 5.735 20.632 19.140 1.00 6.00 ? ? ? ? ? . 57 GLN A CB 17 ATOM 443 C CG . GLN A 17 57 . 6.196 20.566 17.687 1.00 6.00 ? ? ? ? ? . 57 GLN A CG 17 ATOM 444 C CD . GLN A 17 57 . 7.119 19.644 18.066 1.00 6.00 ? ? ? ? ? . 57 GLN A CD 17 ATOM 445 O OE1 . GLN A 17 57 . 8.108 19.841 18.572 1.00 7.00 ? ? ? ? ? . 57 GLN A OE1 17 ATOM 446 N NE2 . GLN A 17 57 . 6.987 18.259 17.687 1.00 7.00 ? ? ? ? ? . 57 GLN A NE2 17 ATOM 447 N N . ILE A 17 58 . 3.889 18.853 21.983 1.00 7.00 ? ? ? ? ? . 58 ILE A N 17 ATOM 448 C CA . ILE A 17 58 . 3.889 18.853 23.373 1.00 6.00 ? ? ? ? ? . 58 ILE A CA 17 ATOM 449 C C . ILE A 17 58 . 5.010 18.655 24.004 1.00 6.00 ? ? ? ? ? . 58 ILE A C 17 ATOM 450 O O . ILE A 17 58 . 5.801 17.666 23.436 1.00 8.00 ? ? ? ? ? . 58 ILE A O 17 ATOM 451 C CB . ILE A 17 58 . 2.769 18.128 23.815 1.00 6.00 ? ? ? ? ? . 58 ILE A CB 17 ATOM 452 C CG1 . ILE A 17 58 . 1.780 18.193 22.867 1.00 6.00 ? ? ? ? ? . 58 ILE A CG1 17 ATOM 453 C CG2 . ILE A 17 58 . 2.373 18.457 25.394 1.00 6.00 ? ? ? ? ? . 58 ILE A CG2 17 ATOM 454 C CD1 . ILE A 17 58 . 0.659 17.139 22.994 1.00 6.00 ? ? ? ? ? . 58 ILE A CD1 17 ATOM 455 N N . ASN A 17 59 . 5.537 19.578 25.268 1.00 7.00 ? ? ? ? ? . 59 ASN A N 17 ATOM 456 C CA . ASN A 17 59 . 6.724 19.248 25.899 1.00 6.00 ? ? ? ? ? . 59 ASN A CA 17 ATOM 457 C C . ASN A 17 59 . 6.658 18.128 26.973 1.00 6.00 ? ? ? ? ? . 59 ASN A C 17 ATOM 458 O O . ASN A 17 59 . 5.933 17.930 27.415 1.00 8.00 ? ? ? ? ? . 59 ASN A O 17 ATOM 459 C CB . ASN A 17 59 . 7.119 20.566 26.531 1.00 6.00 ? ? ? ? ? . 59 ASN A CB 17 ATOM 460 C CG . ASN A 17 59 . 8.174 20.830 27.163 1.00 6.00 ? ? ? ? ? . 59 ASN A CG 17 ATOM 461 O OD1 . ASN A 17 59 . 8.240 20.698 28.426 1.00 7.00 ? ? ? ? ? . 59 ASN A OD1 17 ATOM 462 N ND2 . ASN A 17 59 . 9.097 21.226 26.342 1.00 7.00 ? ? ? ? ? . 59 ASN A ND2 17 ATOM 463 N N . SER A 17 60 . 7.844 17.798 27.163 1.00 7.00 ? ? ? ? ? . 60 SER A N 17 ATOM 464 C CA . SER A 17 60 . 8.042 16.611 28.426 1.00 6.00 ? ? ? ? ? . 60 SER A CA 17 ATOM 465 C C . SER A 17 60 . 8.569 16.941 29.690 1.00 6.00 ? ? ? ? ? . 60 SER A C 17 ATOM 466 O O . SER A 17 60 . 8.372 16.018 30.511 1.00 8.00 ? ? ? ? ? . 60 SER A O 17 ATOM 467 C CB . SER A 17 60 . 8.965 15.820 28.237 1.00 6.00 ? ? ? ? ? . 60 SER A CB 17 ATOM 468 O OG . SER A 17 60 . 10.283 16.282 27.921 1.00 8.00 ? ? ? ? ? . 60 SER A OG 17 ATOM 469 N N . ARG A 17 61 . 8.701 18.325 29.942 1.00 7.00 ? ? ? ? ? . 61 ARG A N 17 ATOM 470 C CA . ARG A 17 61 . 8.701 18.655 31.332 1.00 6.00 ? ? ? ? ? . 61 ARG A CA 17 ATOM 471 C C . ARG A 17 61 . 7.449 18.655 32.027 1.00 6.00 ? ? ? ? ? . 61 ARG A C 17 ATOM 472 O O . ARG A 17 61 . 7.581 18.655 33.038 1.00 8.00 ? ? ? ? ? . 61 ARG A O 17 ATOM 473 C CB . ARG A 17 61 . 9.558 19.775 31.332 1.00 6.00 ? ? ? ? ? . 61 ARG A CB 17 ATOM 474 C CG . ARG A 17 61 . 9.690 20.435 33.038 1.00 6.00 ? ? ? ? ? . 61 ARG A CG 17 ATOM 475 C CD . ARG A 17 61 . 10.679 21.423 33.227 1.00 6.00 ? ? ? ? ? . 61 ARG A CD 17 ATOM 476 N NE . ARG A 17 61 . 10.942 21.555 34.743 1.00 7.00 ? ? ? ? ? . 61 ARG A NE 17 ATOM 477 C CZ . ARG A 17 61 . 11.997 21.951 35.122 1.00 6.00 ? ? ? ? ? . 61 ARG A CZ 17 ATOM 478 N NH1 . ARG A 17 61 . 12.986 22.214 34.238 1.00 7.00 ? ? ? ? ? . 61 ARG A NH1 17 ATOM 479 N NH2 . ARG A 17 61 . 11.997 22.544 36.386 1.00 7.00 ? ? ? ? ? . 61 ARG A NH2 17 ATOM 480 N N . TRP A 17 62 . 6.064 18.721 31.458 1.00 7.00 ? ? ? ? ? . 62 TRP A N 17 ATOM 481 C CA . TRP A 17 62 . 4.812 18.787 32.090 1.00 6.00 ? ? ? ? ? . 62 TRP A CA 17 ATOM 482 C C . TRP A 17 62 . 3.955 17.930 31.458 1.00 6.00 ? ? ? ? ? . 62 TRP A C 17 ATOM 483 O O . TRP A 17 62 . 3.296 17.468 31.964 1.00 8.00 ? ? ? ? ? . 62 TRP A O 17 ATOM 484 C CB . TRP A 17 62 . 4.285 20.435 32.216 1.00 6.00 ? ? ? ? ? . 62 TRP A CB 17 ATOM 485 C CG . TRP A 17 62 . 5.405 21.423 32.216 1.00 6.00 ? ? ? ? ? . 62 TRP A CG 17 ATOM 486 C CD1 . TRP A 17 62 . 6.064 21.951 31.269 1.00 6.00 ? ? ? ? ? . 62 TRP A CD1 17 ATOM 487 C CD2 . TRP A 17 62 . 5.933 22.083 33.480 1.00 6.00 ? ? ? ? ? . 62 TRP A CD2 17 ATOM 488 N NE1 . TRP A 17 62 . 7.251 23.071 31.585 1.00 7.00 ? ? ? ? ? . 62 TRP A NE1 17 ATOM 489 C CE2 . TRP A 17 62 . 6.987 23.203 32.974 1.00 6.00 ? ? ? ? ? . 62 TRP A CE2 17 ATOM 490 C CE3 . TRP A 17 62 . 5.462 21.754 34.554 1.00 6.00 ? ? ? ? ? . 62 TRP A CE3 17 ATOM 491 C CZ2 . TRP A 17 62 . 7.401 23.829 33.946 1.00 6.00 ? ? ? ? ? . 62 TRP A CZ2 17 ATOM 492 C CZ3 . TRP A 17 62 . 6.067 22.590 35.516 1.00 6.00 ? ? ? ? ? . 62 TRP A CZ3 17 ATOM 493 C CH2 . TRP A 17 62 . 6.962 23.607 35.217 1.00 6.00 ? ? ? ? ? . 62 TRP A CH2 17 ATOM 494 N N . TRP A 17 63 . 3.757 17.666 30.195 1.00 7.00 ? ? ? ? ? . 63 TRP A N 17 ATOM 495 C CA . TRP A 17 63 . 2.703 16.875 29.563 1.00 6.00 ? ? ? ? ? . 63 TRP A CA 17 ATOM 496 C C . TRP A 17 63 . 2.966 15.359 29.311 1.00 6.00 ? ? ? ? ? . 63 TRP A C 17 ATOM 497 O O . TRP A 17 63 . 1.978 14.832 29.437 1.00 8.00 ? ? ? ? ? . 63 TRP A O 17 ATOM 498 C CB . TRP A 17 63 . 2.175 17.600 28.047 1.00 6.00 ? ? ? ? ? . 63 TRP A CB 17 ATOM 499 C CG . TRP A 17 63 . 1.978 19.182 28.426 1.00 6.00 ? ? ? ? ? . 63 TRP A CG 17 ATOM 500 C CD1 . TRP A 17 63 . 2.966 20.039 27.731 1.00 6.00 ? ? ? ? ? . 63 TRP A CD1 17 ATOM 501 C CD2 . TRP A 17 63 . 1.121 19.512 29.437 1.00 6.00 ? ? ? ? ? . 63 TRP A CD2 17 ATOM 502 N NE1 . TRP A 17 63 . 2.505 21.226 28.426 1.00 7.00 ? ? ? ? ? . 63 TRP A NE1 17 ATOM 503 C CE2 . TRP A 17 63 . 1.450 21.028 29.311 1.00 6.00 ? ? ? ? ? . 63 TRP A CE2 17 ATOM 504 C CE3 . TRP A 17 63 . 0.264 18.984 30.384 1.00 6.00 ? ? ? ? ? . 63 TRP A CE3 17 ATOM 505 C CZ2 . TRP A 17 63 . 0.923 21.819 30.321 1.00 6.00 ? ? ? ? ? . 63 TRP A CZ2 17 ATOM 506 C CZ3 . TRP A 17 63 . -0.461 19.973 31.269 1.00 6.00 ? ? ? ? ? . 63 TRP A CZ3 17 ATOM 507 C CH2 . TRP A 17 63 . -0.132 21.160 31.206 1.00 6.00 ? ? ? ? ? . 63 TRP A CH2 17 ATOM 508 N N . CYS A 17 64 . 3.955 14.700 28.932 1.00 7.00 ? ? ? ? ? . 64 CYS A N 17 ATOM 509 C CA . CYS A 17 64 . 4.153 13.579 28.805 1.00 6.00 ? ? ? ? ? . 64 CYS A CA 17 ATOM 510 C C . CYS A 17 64 . 5.801 13.118 29.184 1.00 6.00 ? ? ? ? ? . 64 CYS A C 17 ATOM 511 O O . CYS A 17 64 . 6.394 13.843 29.184 1.00 8.00 ? ? ? ? ? . 64 CYS A O 17 ATOM 512 C CB . CYS A 17 64 . 4.285 13.315 27.289 1.00 6.00 ? ? ? ? ? . 64 CYS A CB 17 ATOM 513 S SG . CYS A 17 64 . 4.944 14.041 26.405 1.00 16.00 ? ? ? ? ? . 64 CYS A SG 17 ATOM 514 N N . ASN A 17 65 . 5.603 11.865 29.690 1.00 7.00 ? ? ? ? ? . 65 ASN A N 17 ATOM 515 C CA . ASN A 17 65 . 6.921 11.470 30.195 1.00 6.00 ? ? ? ? ? . 65 ASN A CA 17 ATOM 516 C C . ASN A 17 65 . 7.844 10.547 29.058 1.00 6.00 ? ? ? ? ? . 65 ASN A C 17 ATOM 517 O O . ASN A 17 65 . 6.921 10.020 28.173 1.00 8.00 ? ? ? ? ? . 65 ASN A O 17 ATOM 518 C CB . ASN A 17 65 . 6.724 10.283 31.142 1.00 6.00 ? ? ? ? ? . 65 ASN A CB 17 ATOM 519 C CG . ASN A 17 65 . 8.042 9.756 31.711 1.00 6.00 ? ? ? ? ? . 65 ASN A CG 17 ATOM 520 O OD1 . ASN A 17 65 . 8.833 10.217 31.964 1.00 8.00 ? ? ? ? ? . 65 ASN A OD1 17 ATOM 521 N ND2 . ASN A 17 65 . 7.910 8.438 31.837 1.00 8.00 ? ? ? ? ? . 65 ASN A ND2 17 ATOM 522 N N . ASP A 17 66 . 9.031 10.547 29.058 1.00 7.00 ? ? ? ? ? . 66 ASP A N 17 ATOM 523 C CA . ASP A 17 66 . 9.954 10.151 27.858 1.00 6.00 ? ? ? ? ? . 66 ASP A CA 17 ATOM 524 C C . ASP A 17 66 . 11.074 9.888 28.426 1.00 6.00 ? ? ? ? ? . 66 ASP A C 17 ATOM 525 O O . ASP A 17 66 . 11.865 9.229 27.794 1.00 8.00 ? ? ? ? ? . 66 ASP A O 17 ATOM 526 C CB . ASP A 17 66 . 10.020 11.668 27.100 1.00 6.00 ? ? ? ? ? . 66 ASP A CB 17 ATOM 527 C CG . ASP A 17 66 . 10.877 12.524 27.984 1.00 6.00 ? ? ? ? ? . 66 ASP A CG 17 ATOM 528 O OD1 . ASP A 17 66 . 11.206 12.524 28.932 1.00 7.00 ? ? ? ? ? . 66 ASP A OD1 17 ATOM 529 O OD2 . ASP A 17 66 . 11.602 13.447 27.226 1.00 7.00 ? ? ? ? ? . 66 ASP A OD2 17 ATOM 530 N N . GLY A 17 67 . 11.536 9.492 29.690 1.00 7.00 ? ? ? ? ? . 67 GLY A N 17 ATOM 531 C CA . GLY A 17 67 . 12.195 8.833 30.321 1.00 6.00 ? ? ? ? ? . 67 GLY A CA 17 ATOM 532 C C . GLY A 17 67 . 13.184 9.229 30.511 1.00 6.00 ? ? ? ? ? . 67 GLY A C 17 ATOM 533 O O . GLY A 17 67 . 14.238 8.701 31.206 1.00 8.00 ? ? ? ? ? . 67 GLY A O 17 ATOM 534 N N . ARG A 17 68 . 13.909 10.679 29.816 1.00 7.00 ? ? ? ? ? . 68 ARG A N 17 ATOM 535 C CA . ARG A 17 68 . 15.029 11.404 30.005 1.00 6.00 ? ? ? ? ? . 68 ARG A CA 17 ATOM 536 C C . ARG A 17 68 . 14.963 12.722 30.321 1.00 6.00 ? ? ? ? ? . 68 ARG A C 17 ATOM 537 O O . ARG A 17 68 . 15.952 13.381 30.069 1.00 8.00 ? ? ? ? ? . 68 ARG A O 17 ATOM 538 C CB . ARG A 17 68 . 16.150 11.206 28.679 1.00 6.00 ? ? ? ? ? . 68 ARG A CB 17 ATOM 539 C CG . ARG A 17 68 . 15.293 11.865 27.731 1.00 6.00 ? ? ? ? ? . 68 ARG A CG 17 ATOM 540 C CD . ARG A 17 68 . 16.480 12.195 26.657 1.00 6.00 ? ? ? ? ? . 68 ARG A CD 17 ATOM 541 N NE . ARG A 17 68 . 15.820 12.524 25.268 1.00 7.00 ? ? ? ? ? . 68 ARG A NE 17 ATOM 542 C CZ . ARG A 17 68 . 16.480 12.920 24.383 1.00 6.00 ? ? ? ? ? . 68 ARG A CZ 17 ATOM 543 N NH1 . ARG A 17 68 . 17.798 12.986 24.573 1.00 7.00 ? ? ? ? ? . 68 ARG A NH1 17 ATOM 544 N NH2 . ARG A 17 68 . 15.952 13.381 23.246 1.00 7.00 ? ? ? ? ? . 68 ARG A NH2 17 ATOM 545 N N . THR A 17 69 . 13.975 13.315 30.763 1.00 7.00 ? ? ? ? ? . 69 THR A N 17 ATOM 546 C CA . THR A 17 69 . 13.843 14.700 31.079 1.00 6.00 ? ? ? ? ? . 69 THR A CA 17 ATOM 547 C C . THR A 17 69 . 13.513 14.700 32.659 1.00 6.00 ? ? ? ? ? . 69 THR A C 17 ATOM 548 O O . THR A 17 69 . 12.195 14.700 32.722 1.00 8.00 ? ? ? ? ? . 69 THR A O 17 ATOM 549 C CB . THR A 17 69 . 12.524 15.161 30.321 1.00 6.00 ? ? ? ? ? . 69 THR A CB 17 ATOM 550 O OG1 . THR A 17 69 . 12.920 15.095 28.932 1.00 8.00 ? ? ? ? ? . 69 THR A OG1 17 ATOM 551 C CG2 . THR A 17 69 . 12.327 16.809 30.763 1.00 6.00 ? ? ? ? ? . 69 THR A CG2 17 ATOM 552 N N . PRO A 17 70 . 14.370 14.700 33.353 1.00 7.00 ? ? ? ? ? . 70 PRO A N 17 ATOM 553 C CA . PRO A 17 70 . 14.172 14.832 34.869 1.00 6.00 ? ? ? ? ? . 70 PRO A CA 17 ATOM 554 C C . PRO A 17 70 . 13.250 15.754 35.627 1.00 6.00 ? ? ? ? ? . 70 PRO A C 17 ATOM 555 O O . PRO A 17 70 . 12.524 15.161 36.512 1.00 8.00 ? ? ? ? ? . 70 PRO A O 17 ATOM 556 C CB . PRO A 17 70 . 15.359 14.963 35.501 1.00 6.00 ? ? ? ? ? . 70 PRO A CB 17 ATOM 557 C CG . PRO A 17 70 . 16.018 14.832 34.364 1.00 6.00 ? ? ? ? ? . 70 PRO A CG 17 ATOM 558 C CD . PRO A 17 70 . 15.623 14.832 33.038 1.00 6.00 ? ? ? ? ? . 70 PRO A CD 17 ATOM 559 N N . GLY A 17 71 . 12.854 16.809 35.122 1.00 7.00 ? ? ? ? ? . 71 GLY A N 17 ATOM 560 C CA . GLY A 17 71 . 11.865 17.666 35.754 1.00 6.00 ? ? ? ? ? . 71 GLY A CA 17 ATOM 561 C C . GLY A 17 71 . 10.547 17.139 35.754 1.00 6.00 ? ? ? ? ? . 71 GLY A C 17 ATOM 562 O O . GLY A 17 71 . 9.888 17.798 36.449 1.00 8.00 ? ? ? ? ? . 71 GLY A O 17 ATOM 563 N N . SER A 17 72 . 10.547 16.150 35.059 1.00 7.00 ? ? ? ? ? . 72 SER A N 17 ATOM 564 C CA . SER A 17 72 . 9.229 15.623 34.806 1.00 6.00 ? ? ? ? ? . 72 SER A CA 17 ATOM 565 C C . SER A 17 72 . 8.042 15.029 36.007 1.00 6.00 ? ? ? ? ? . 72 SER A C 17 ATOM 566 O O . SER A 17 72 . 8.306 14.502 36.891 1.00 8.00 ? ? ? ? ? . 72 SER A O 17 ATOM 567 C CB . SER A 17 72 . 9.426 14.172 33.985 1.00 6.00 ? ? ? ? ? . 72 SER A CB 17 ATOM 568 O OG . SER A 17 72 . 9.558 14.832 32.848 1.00 8.00 ? ? ? ? ? . 72 SER A OG 17 ATOM 569 N N . ARG A 17 73 . 6.987 15.689 35.627 1.00 7.00 ? ? ? ? ? . 73 ARG A N 17 ATOM 570 C CA . ARG A 17 73 . 5.867 15.689 36.259 1.00 6.00 ? ? ? ? ? . 73 ARG A CA 17 ATOM 571 C C . ARG A 17 73 . 4.944 15.293 34.996 1.00 6.00 ? ? ? ? ? . 73 ARG A C 17 ATOM 572 O O . ARG A 17 73 . 5.273 15.491 33.985 1.00 8.00 ? ? ? ? ? . 73 ARG A O 17 ATOM 573 C CB . ARG A 17 73 . 5.273 17.139 36.891 1.00 6.00 ? ? ? ? ? . 73 ARG A CB 17 ATOM 574 C CG . ARG A 17 73 . 5.933 17.798 38.533 1.00 6.00 ? ? ? ? ? . 73 ARG A CG 17 ATOM 575 C CD . ARG A 17 73 . 6.021 18.812 38.399 1.00 6.00 ? ? ? ? ? . 73 ARG A CD 17 ATOM 576 N NE . ARG A 17 73 . 6.762 19.228 39.600 1.00 7.00 ? ? ? ? ? . 73 ARG A NE 17 ATOM 577 C CZ . ARG A 17 73 . 7.185 20.494 39.810 1.00 6.00 ? ? ? ? ? . 73 ARG A CZ 17 ATOM 578 N NH1 . ARG A 17 73 . 7.090 21.419 38.847 1.00 7.00 ? ? ? ? ? . 73 ARG A NH1 17 ATOM 579 N NH2 . ARG A 17 73 . 7.692 20.811 40.987 1.00 7.00 ? ? ? ? ? . 73 ARG A NH2 17 ATOM 580 N N . ASN A 17 74 . 4.021 14.041 35.059 1.00 7.00 ? ? ? ? ? . 74 ASN A N 17 ATOM 581 C CA . ASN A 17 74 . 3.757 13.711 33.985 1.00 6.00 ? ? ? ? ? . 74 ASN A CA 17 ATOM 582 C C . ASN A 17 74 . 1.780 13.975 34.111 1.00 6.00 ? ? ? ? ? . 74 ASN A C 17 ATOM 583 O O . ASN A 17 74 . 0.791 13.052 34.238 1.00 8.00 ? ? ? ? ? . 74 ASN A O 17 ATOM 584 C CB . ASN A 17 74 . 3.691 11.931 33.796 1.00 6.00 ? ? ? ? ? . 74 ASN A CB 17 ATOM 585 C CG . ASN A 17 74 . 3.230 11.536 32.216 1.00 6.00 ? ? ? ? ? . 74 ASN A CG 17 ATOM 586 O OD1 . ASN A 17 74 . 3.296 10.679 32.090 1.00 7.00 ? ? ? ? ? . 74 ASN A OD1 17 ATOM 587 N ND2 . ASN A 17 74 . 2.505 12.524 31.585 1.00 7.00 ? ? ? ? ? . 74 ASN A ND2 17 ATOM 588 N N . LEU A 17 75 . 1.846 15.491 33.669 1.00 7.00 ? ? ? ? ? . 75 LEU A N 17 ATOM 589 C CA . LEU A 17 75 . 0.725 16.018 33.732 1.00 6.00 ? ? ? ? ? . 75 LEU A CA 17 ATOM 590 C C . LEU A 17 75 . -0.264 15.359 32.722 1.00 6.00 ? ? ? ? ? . 75 LEU A C 17 ATOM 591 O O . LEU A 17 75 . -1.516 14.766 32.848 1.00 8.00 ? ? ? ? ? . 75 LEU A O 17 ATOM 592 C CB . LEU A 17 75 . 0.461 17.798 33.796 1.00 6.00 ? ? ? ? ? . 75 LEU A CB 17 ATOM 593 C CG . LEU A 17 75 . 0.791 18.128 34.933 1.00 6.00 ? ? ? ? ? . 75 LEU A CG 17 ATOM 594 C CD1 . LEU A 17 75 . -0.198 17.468 36.007 1.00 6.00 ? ? ? ? ? . 75 LEU A CD1 17 ATOM 595 C CD2 . LEU A 17 75 . 2.109 17.600 35.312 1.00 6.00 ? ? ? ? ? . 75 LEU A CD2 17 ATOM 596 N N . CYS A 17 76 . -0.132 15.029 31.332 1.00 7.00 ? ? ? ? ? . 76 CYS A N 17 ATOM 597 C CA . CYS A 17 76 . -1.187 14.107 30.700 1.00 6.00 ? ? ? ? ? . 76 CYS A CA 17 ATOM 598 C C . CYS A 17 76 . -0.791 12.524 30.827 1.00 6.00 ? ? ? ? ? . 76 CYS A C 17 ATOM 599 O O . CYS A 17 76 . -1.648 11.997 30.258 1.00 8.00 ? ? ? ? ? . 76 CYS A O 17 ATOM 600 C CB . CYS A 17 76 . -1.384 14.436 29.058 1.00 6.00 ? ? ? ? ? . 76 CYS A CB 17 ATOM 601 S SG . CYS A 17 76 . -1.714 16.150 28.426 1.00 16.00 ? ? ? ? ? . 76 CYS A SG 17 ATOM 602 N N . ASN A 17 77 . -0.132 11.997 31.711 1.00 7.00 ? ? ? ? ? . 77 ASN A N 17 ATOM 603 C CA . ASN A 17 77 . -0.066 10.942 32.280 1.00 6.00 ? ? ? ? ? . 77 ASN A CA 17 ATOM 604 C C . ASN A 17 77 . 0.000 9.888 30.827 1.00 6.00 ? ? ? ? ? . 77 ASN A C 17 ATOM 605 O O . ASN A 17 77 . -0.659 8.965 30.827 1.00 8.00 ? ? ? ? ? . 77 ASN A O 17 ATOM 606 C CB . ASN A 17 77 . -1.121 10.415 33.038 1.00 6.00 ? ? ? ? ? . 77 ASN A CB 17 ATOM 607 C CG . ASN A 17 77 . -0.791 9.558 34.048 1.00 6.00 ? ? ? ? ? . 77 ASN A CG 17 ATOM 608 O OD1 . ASN A 17 77 . -0.132 8.372 33.985 1.00 7.00 ? ? ? ? ? . 77 ASN A OD1 17 ATOM 609 N ND2 . ASN A 17 77 . -0.659 9.624 35.375 1.00 7.00 ? ? ? ? ? . 77 ASN A ND2 17 ATOM 610 N N . ILE A 17 78 . 0.659 10.217 29.942 1.00 7.00 ? ? ? ? ? . 78 ILE A N 17 ATOM 611 C CA . ILE A 17 78 . 0.791 9.492 28.679 1.00 6.00 ? ? ? ? ? . 78 ILE A CA 17 ATOM 612 C C . ILE A 17 78 . 2.307 9.492 28.426 1.00 6.00 ? ? ? ? ? . 78 ILE A C 17 ATOM 613 O O . ILE A 17 78 . 3.164 10.415 28.553 1.00 8.00 ? ? ? ? ? . 78 ILE A O 17 ATOM 614 C CB . ILE A 17 78 . 0.132 9.888 27.479 1.00 6.00 ? ? ? ? ? . 78 ILE A CB 17 ATOM 615 C CG1 . ILE A 17 78 . 0.132 9.097 26.278 1.00 6.00 ? ? ? ? ? . 78 ILE A CG1 17 ATOM 616 C CG2 . ILE A 17 78 . 0.857 11.404 27.163 1.00 6.00 ? ? ? ? ? . 78 ILE A CG2 17 ATOM 617 C CD1 . ILE A 17 78 . -0.659 7.778 26.531 1.00 6.00 ? ? ? ? ? . 78 ILE A CD1 17 ATOM 618 N N . PRO A 17 79 . 3.098 8.569 27.858 1.00 7.00 ? ? ? ? ? . 79 PRO A N 17 ATOM 619 C CA . PRO A 17 79 . 4.614 8.569 27.542 1.00 6.00 ? ? ? ? ? . 79 PRO A CA 17 ATOM 620 C C . PRO A 17 79 . 4.746 9.426 26.152 1.00 6.00 ? ? ? ? ? . 79 PRO A C 17 ATOM 621 O O . PRO A 17 79 . 3.955 8.899 25.268 1.00 8.00 ? ? ? ? ? . 79 PRO A O 17 ATOM 622 C CB . PRO A 17 79 . 5.010 7.053 27.479 1.00 6.00 ? ? ? ? ? . 79 PRO A CB 17 ATOM 623 C CG . PRO A 17 79 . 3.691 6.262 27.479 1.00 6.00 ? ? ? ? ? . 79 PRO A CG 17 ATOM 624 C CD . PRO A 17 79 . 2.571 7.317 27.668 1.00 6.00 ? ? ? ? ? . 79 PRO A CD 17 ATOM 625 N N . CYS A 17 80 . 5.405 10.151 26.152 1.00 7.00 ? ? ? ? ? . 80 CYS A N 17 ATOM 626 C CA . CYS A 17 80 . 5.933 11.206 24.762 1.00 6.00 ? ? ? ? ? . 80 CYS A CA 17 ATOM 627 C C . CYS A 17 80 . 5.405 10.679 23.436 1.00 6.00 ? ? ? ? ? . 80 CYS A C 17 ATOM 628 O O . CYS A 17 80 . 4.746 11.206 22.615 1.00 8.00 ? ? ? ? ? . 80 CYS A O 17 ATOM 629 C CB . CYS A 17 80 . 7.383 11.931 25.268 1.00 6.00 ? ? ? ? ? . 80 CYS A CB 17 ATOM 630 S SG . CYS A 17 80 . 7.119 13.184 26.531 1.00 16.00 ? ? ? ? ? . 80 CYS A SG 17 ATOM 631 N N . SER A 17 81 . 6.130 9.492 23.309 1.00 7.00 ? ? ? ? ? . 81 SER A N 17 ATOM 632 C CA . SER A 17 81 . 5.999 8.635 22.299 1.00 6.00 ? ? ? ? ? . 81 SER A CA 17 ATOM 633 C C . SER A 17 81 . 4.746 8.306 21.730 1.00 6.00 ? ? ? ? ? . 81 SER A C 17 ATOM 634 O O . SER A 17 81 . 4.614 8.306 20.340 1.00 8.00 ? ? ? ? ? . 81 SER A O 17 ATOM 635 C CB . SER A 17 81 . 6.856 7.515 22.741 1.00 6.00 ? ? ? ? ? . 81 SER A CB 17 ATOM 636 O OG . SER A 17 81 . 5.801 6.130 23.120 1.00 8.00 ? ? ? ? ? . 81 SER A OG 17 ATOM 637 N N . ALA A 17 82 . 3.889 8.108 22.551 1.00 7.00 ? ? ? ? ? . 82 ALA A N 17 ATOM 638 C CA . ALA A 17 82 . 2.307 8.108 22.236 1.00 6.00 ? ? ? ? ? . 82 ALA A CA 17 ATOM 639 C C . ALA A 17 82 . 2.043 9.229 21.225 1.00 6.00 ? ? ? ? ? . 82 ALA A C 17 ATOM 640 O O . ALA A 17 82 . 0.989 8.899 20.214 1.00 8.00 ? ? ? ? ? . 82 ALA A O 17 ATOM 641 C CB . ALA A 17 82 . 1.318 8.174 23.373 1.00 6.00 ? ? ? ? ? . 82 ALA A CB 17 ATOM 642 N N . LEU A 17 83 . 2.571 10.415 21.604 1.00 7.00 ? ? ? ? ? . 83 LEU A N 17 ATOM 643 C CA . LEU A 17 83 . 2.439 11.536 20.846 1.00 6.00 ? ? ? ? ? . 83 LEU A CA 17 ATOM 644 C C . LEU A 17 83 . 2.637 11.470 19.330 1.00 6.00 ? ? ? ? ? . 83 LEU A C 17 ATOM 645 O O . LEU A 17 83 . 1.978 12.195 18.698 1.00 8.00 ? ? ? ? ? . 83 LEU A O 17 ATOM 646 C CB . LEU A 17 83 . 2.966 12.920 21.541 1.00 6.00 ? ? ? ? ? . 83 LEU A CB 17 ATOM 647 C CG . LEU A 17 83 . 2.109 12.920 22.867 1.00 6.00 ? ? ? ? ? . 83 LEU A CG 17 ATOM 648 C CD1 . LEU A 17 83 . 2.637 14.172 23.625 1.00 6.00 ? ? ? ? ? . 83 LEU A CD1 17 ATOM 649 C CD2 . LEU A 17 83 . 0.593 12.986 22.551 1.00 6.00 ? ? ? ? ? . 83 LEU A CD2 17 ATOM 650 N N . LEU A 17 84 . 3.428 10.679 19.077 1.00 7.00 ? ? ? ? ? . 84 LEU A N 17 ATOM 651 C CA . LEU A 17 84 . 4.021 10.679 17.624 1.00 6.00 ? ? ? ? ? . 84 LEU A CA 17 ATOM 652 C C . LEU A 17 84 . 3.428 9.756 16.677 1.00 6.00 ? ? ? ? ? . 84 LEU A C 17 ATOM 653 O O . LEU A 17 84 . 3.625 9.558 15.666 1.00 8.00 ? ? ? ? ? . 84 LEU A O 17 ATOM 654 C CB . LEU A 17 84 . 5.603 10.217 17.056 1.00 6.00 ? ? ? ? ? . 84 LEU A CB 17 ATOM 655 C CG . LEU A 17 84 . 6.724 10.547 18.509 1.00 6.00 ? ? ? ? ? . 84 LEU A CG 17 ATOM 656 C CD1 . LEU A 17 84 . 7.844 10.086 18.003 1.00 6.00 ? ? ? ? ? . 84 LEU A CD1 17 ATOM 657 C CD2 . LEU A 17 84 . 6.460 12.327 18.193 1.00 6.00 ? ? ? ? ? . 84 LEU A CD2 17 ATOM 658 N N . SER A 17 85 . 2.505 8.899 17.182 1.00 7.00 ? ? ? ? ? . 85 SER A N 17 ATOM 659 C CA . SER A 17 85 . 1.846 7.910 16.361 1.00 6.00 ? ? ? ? ? . 85 SER A CA 17 ATOM 660 C C . SER A 17 85 . 0.330 8.569 15.413 1.00 6.00 ? ? ? ? ? . 85 SER A C 17 ATOM 661 O O . SER A 17 85 . 0.330 9.888 15.287 1.00 8.00 ? ? ? ? ? . 85 SER A O 17 ATOM 662 C CB . SER A 17 85 . 1.055 6.856 17.182 1.00 6.00 ? ? ? ? ? . 85 SER A CB 17 ATOM 663 O OG . SER A 17 85 . 0.000 7.317 18.003 1.00 8.00 ? ? ? ? ? . 85 SER A OG 17 ATOM 664 N N . SER A 17 86 . 0.066 7.976 14.403 1.00 7.00 ? ? ? ? ? . 86 SER A N 17 ATOM 665 C CA . SER A 17 86 . -0.264 8.503 13.329 1.00 6.00 ? ? ? ? ? . 86 SER A CA 17 ATOM 666 C C . SER A 17 86 . -1.780 8.569 13.645 1.00 6.00 ? ? ? ? ? . 86 SER A C 17 ATOM 667 O O . SER A 17 86 . -2.439 9.097 13.139 1.00 8.00 ? ? ? ? ? . 86 SER A O 17 ATOM 668 C CB . SER A 17 86 . -0.066 7.647 12.002 1.00 6.00 ? ? ? ? ? . 86 SER A CB 17 ATOM 669 O OG . SER A 17 86 . 0.906 7.237 11.514 1.00 8.00 ? ? ? ? ? . 86 SER A OG 17 ATOM 670 N N . ASP A 17 87 . -2.109 8.306 14.908 1.00 7.00 ? ? ? ? ? . 87 ASP A N 17 ATOM 671 C CA . ASP A 17 87 . -3.428 8.899 15.413 1.00 6.00 ? ? ? ? ? . 87 ASP A CA 17 ATOM 672 C C . ASP A 17 87 . -3.362 9.954 16.677 1.00 6.00 ? ? ? ? ? . 87 ASP A C 17 ATOM 673 O O . ASP A 17 87 . -2.505 9.690 17.435 1.00 8.00 ? ? ? ? ? . 87 ASP A O 17 ATOM 674 C CB . ASP A 17 87 . -3.757 7.778 16.234 1.00 6.00 ? ? ? ? ? . 87 ASP A CB 17 ATOM 675 C CG . ASP A 17 87 . -5.142 7.581 16.424 1.00 6.00 ? ? ? ? ? . 87 ASP A CG 17 ATOM 676 O OD1 . ASP A 17 87 . -5.801 8.042 17.056 1.00 8.00 ? ? ? ? ? . 87 ASP A OD1 17 ATOM 677 O OD2 . ASP A 17 87 . -5.867 6.987 15.729 1.00 8.00 ? ? ? ? ? . 87 ASP A OD2 17 ATOM 678 N N . ILE A 17 88 . -3.757 11.008 16.424 1.00 7.00 ? ? ? ? ? . 88 ILE A N 17 ATOM 679 C CA . ILE A 17 88 . -3.823 12.261 17.182 1.00 6.00 ? ? ? ? ? . 88 ILE A CA 17 ATOM 680 C C . ILE A 17 88 . -4.614 12.063 18.509 1.00 6.00 ? ? ? ? ? . 88 ILE A C 17 ATOM 681 O O . ILE A 17 88 . -4.417 13.513 18.951 1.00 8.00 ? ? ? ? ? . 88 ILE A O 17 ATOM 682 C CB . ILE A 17 88 . -3.823 13.645 16.424 1.00 6.00 ? ? ? ? ? . 88 ILE A CB 17 ATOM 683 C CG1 . ILE A 17 88 . -5.076 13.645 15.919 1.00 6.00 ? ? ? ? ? . 88 ILE A CG1 17 ATOM 684 C CG2 . ILE A 17 88 . -2.769 13.513 15.161 1.00 6.00 ? ? ? ? ? . 88 ILE A CG2 17 ATOM 685 C CD1 . ILE A 17 88 . -5.933 15.029 15.350 1.00 6.00 ? ? ? ? ? . 88 ILE A CD1 17 ATOM 686 N N . THR A 17 89 . -5.010 11.074 18.824 1.00 7.00 ? ? ? ? ? . 89 THR A N 17 ATOM 687 C CA . THR A 17 89 . -5.933 11.008 19.961 1.00 6.00 ? ? ? ? ? . 89 THR A CA 17 ATOM 688 C C . THR A 17 89 . -5.405 11.865 21.225 1.00 6.00 ? ? ? ? ? . 89 THR A C 17 ATOM 689 O O . THR A 17 89 . -5.933 12.524 21.478 1.00 8.00 ? ? ? ? ? . 89 THR A O 17 ATOM 690 C CB . THR A 17 89 . -6.262 9.756 20.214 1.00 6.00 ? ? ? ? ? . 89 THR A CB 17 ATOM 691 O OG1 . THR A 17 89 . -7.251 9.229 19.140 1.00 8.00 ? ? ? ? ? . 89 THR A OG1 17 ATOM 692 C CG2 . THR A 17 89 . -7.251 9.888 21.478 1.00 6.00 ? ? ? ? ? . 89 THR A CG2 17 ATOM 693 N N . ALA A 17 90 . -4.482 10.942 21.478 1.00 7.00 ? ? ? ? ? . 90 ALA A N 17 ATOM 694 C CA . ALA A 17 90 . -3.230 11.668 22.425 1.00 6.00 ? ? ? ? ? . 90 ALA A CA 17 ATOM 695 C C . ALA A 17 90 . -3.164 12.722 22.615 1.00 6.00 ? ? ? ? ? . 90 ALA A C 17 ATOM 696 O O . ALA A 17 90 . -3.296 13.184 23.373 1.00 8.00 ? ? ? ? ? . 90 ALA A O 17 ATOM 697 C CB . ALA A 17 90 . -2.307 10.217 22.425 1.00 6.00 ? ? ? ? ? . 90 ALA A CB 17 ATOM 698 N N . SER A 17 91 . -2.703 13.184 21.604 1.00 7.00 ? ? ? ? ? . 91 SER A N 17 ATOM 699 C CA . SER A 17 91 . -2.175 14.766 21.478 1.00 6.00 ? ? ? ? ? . 91 SER A CA 17 ATOM 700 C C . SER A 17 91 . -3.164 15.623 21.730 1.00 6.00 ? ? ? ? ? . 91 SER A C 17 ATOM 701 O O . SER A 17 91 . -3.164 16.348 22.425 1.00 8.00 ? ? ? ? ? . 91 SER A O 17 ATOM 702 C CB . SER A 17 91 . -1.582 14.963 20.025 1.00 6.00 ? ? ? ? ? . 91 SER A CB 17 ATOM 703 O OG . SER A 17 91 . -0.396 13.975 19.709 1.00 8.00 ? ? ? ? ? . 91 SER A OG 17 ATOM 704 N N . VAL A 17 92 . -4.285 15.491 20.846 1.00 7.00 ? ? ? ? ? . 92 VAL A N 17 ATOM 705 C CA . VAL A 17 92 . -5.339 16.348 20.909 1.00 6.00 ? ? ? ? ? . 92 VAL A CA 17 ATOM 706 C C . VAL A 17 92 . -5.999 16.348 22.362 1.00 6.00 ? ? ? ? ? . 92 VAL A C 17 ATOM 707 O O . VAL A 17 92 . -6.130 17.007 22.804 1.00 8.00 ? ? ? ? ? . 92 VAL A O 17 ATOM 708 C CB . VAL A 17 92 . -6.856 15.820 19.961 1.00 6.00 ? ? ? ? ? . 92 VAL A CB 17 ATOM 709 C CG1 . VAL A 17 92 . -7.976 15.952 20.088 1.00 6.00 ? ? ? ? ? . 92 VAL A CG1 17 ATOM 710 C CG2 . VAL A 17 92 . -5.933 16.150 18.445 1.00 6.00 ? ? ? ? ? . 92 VAL A CG2 17 ATOM 711 N N . ASN A 17 93 . -5.933 14.963 22.804 1.00 7.00 ? ? ? ? ? . 93 ASN A N 17 ATOM 712 C CA . ASN A 17 93 . -6.658 14.766 24.257 1.00 6.00 ? ? ? ? ? . 93 ASN A CA 17 ATOM 713 C C . ASN A 17 93 . -5.735 15.293 25.268 1.00 6.00 ? ? ? ? ? . 93 ASN A C 17 ATOM 714 O O . ASN A 17 93 . -6.262 15.886 26.089 1.00 8.00 ? ? ? ? ? . 93 ASN A O 17 ATOM 715 C CB . ASN A 17 93 . -6.724 13.118 24.447 1.00 6.00 ? ? ? ? ? . 93 ASN A CB 17 ATOM 716 C CG . ASN A 17 93 . -7.976 12.590 24.194 1.00 6.00 ? ? ? ? ? . 93 ASN A CG 17 ATOM 717 O OD1 . ASN A 17 93 . -8.767 13.184 24.004 1.00 7.00 ? ? ? ? ? . 93 ASN A OD1 17 ATOM 718 N ND2 . ASN A 17 93 . -8.042 11.206 24.383 1.00 7.00 ? ? ? ? ? . 93 ASN A ND2 17 ATOM 719 N N . CYS A 17 94 . -4.614 15.425 25.015 1.00 7.00 ? ? ? ? ? . 94 CYS A N 17 ATOM 720 C CA . CYS A 17 94 . -3.362 16.084 25.836 1.00 6.00 ? ? ? ? ? . 94 CYS A CA 17 ATOM 721 C C . CYS A 17 94 . -3.428 17.600 25.710 1.00 6.00 ? ? ? ? ? . 94 CYS A C 17 ATOM 722 O O . CYS A 17 94 . -3.428 18.523 26.531 1.00 8.00 ? ? ? ? ? . 94 CYS A O 17 ATOM 723 C CB . CYS A 17 94 . -2.175 15.754 25.268 1.00 6.00 ? ? ? ? ? . 94 CYS A CB 17 ATOM 724 S SG . CYS A 17 94 . -0.791 16.150 26.405 1.00 16.00 ? ? ? ? ? . 94 CYS A SG 17 ATOM 725 N N . ALA A 17 95 . -3.428 17.930 24.447 1.00 7.00 ? ? ? ? ? . 95 ALA A N 17 ATOM 726 C CA . ALA A 17 95 . -3.691 19.446 23.941 1.00 6.00 ? ? ? ? ? . 95 ALA A CA 17 ATOM 727 C C . ALA A 17 95 . -4.746 19.973 24.699 1.00 6.00 ? ? ? ? ? . 95 ALA A C 17 ATOM 728 O O . ALA A 17 95 . -4.746 20.962 24.889 1.00 8.00 ? ? ? ? ? . 95 ALA A O 17 ATOM 729 C CB . ALA A 17 95 . -3.955 19.182 22.425 1.00 6.00 ? ? ? ? ? . 95 ALA A CB 17 ATOM 730 N N . LYS A 17 96 . -5.933 19.446 24.889 1.00 7.00 ? ? ? ? ? . 96 LYS A N 17 ATOM 731 C CA . LYS A 17 96 . -7.053 19.710 25.647 1.00 6.00 ? ? ? ? ? . 96 LYS A CA 17 ATOM 732 C C . LYS A 17 96 . -6.592 20.105 27.163 1.00 6.00 ? ? ? ? ? . 96 LYS A C 17 ATOM 733 O O . LYS A 17 96 . -7.053 21.358 27.415 1.00 8.00 ? ? ? ? ? . 96 LYS A O 17 ATOM 734 C CB . LYS A 17 96 . -8.108 18.787 25.584 1.00 6.00 ? ? ? ? ? . 96 LYS A CB 17 ATOM 735 C CG . LYS A 17 96 . -8.833 18.787 24.194 1.00 6.00 ? ? ? ? ? . 96 LYS A CG 17 ATOM 736 C CD . LYS A 17 96 . -10.020 18.193 24.131 1.00 6.00 ? ? ? ? ? . 96 LYS A CD 17 ATOM 737 C CE . LYS A 17 96 . -10.679 17.666 22.867 1.00 6.00 ? ? ? ? ? . 96 LYS A CE 17 ATOM 738 N NZ . LYS A 17 96 . -11.206 16.150 23.120 1.00 7.00 ? ? ? ? ? . 96 LYS A NZ 17 ATOM 739 N N . LYS A 17 97 . -5.801 19.775 27.794 1.00 7.00 ? ? ? ? ? . 97 LYS A N 17 ATOM 740 C CA . LYS A 17 97 . -5.273 20.303 29.247 1.00 6.00 ? ? ? ? ? . 97 LYS A CA 17 ATOM 741 C C . LYS A 17 97 . -4.285 21.423 29.121 1.00 6.00 ? ? ? ? ? . 97 LYS A C 17 ATOM 742 O O . LYS A 17 97 . -4.417 21.951 30.511 1.00 8.00 ? ? ? ? ? . 97 LYS A O 17 ATOM 743 C CB . LYS A 17 97 . -5.076 19.116 29.879 1.00 6.00 ? ? ? ? ? . 97 LYS A CB 17 ATOM 744 C CG . LYS A 17 97 . -5.801 17.930 30.005 1.00 6.00 ? ? ? ? ? . 97 LYS A CG 17 ATOM 745 C CD . LYS A 17 97 . -5.273 16.941 31.079 1.00 6.00 ? ? ? ? ? . 97 LYS A CD 17 ATOM 746 C CE . LYS A 17 97 . -6.724 16.480 32.153 1.00 6.00 ? ? ? ? ? . 97 LYS A CE 17 ATOM 747 N NZ . LYS A 17 97 . -6.122 15.643 33.146 1.00 7.00 ? ? ? ? ? . 97 LYS A NZ 17 ATOM 748 N N . ILE A 17 98 . -3.757 21.489 28.047 1.00 7.00 ? ? ? ? ? . 98 ILE A N 17 ATOM 749 C CA . ILE A 17 98 . -2.835 22.742 27.921 1.00 6.00 ? ? ? ? ? . 98 ILE A CA 17 ATOM 750 C C . ILE A 17 98 . -3.428 24.060 27.542 1.00 6.00 ? ? ? ? ? . 98 ILE A C 17 ATOM 751 O O . ILE A 17 98 . -3.164 24.653 27.984 1.00 8.00 ? ? ? ? ? . 98 ILE A O 17 ATOM 752 C CB . ILE A 17 98 . -1.846 22.412 26.721 1.00 6.00 ? ? ? ? ? . 98 ILE A CB 17 ATOM 753 C CG1 . ILE A 17 98 . -1.055 21.094 27.163 1.00 6.00 ? ? ? ? ? . 98 ILE A CG1 17 ATOM 754 C CG2 . ILE A 17 98 . -0.989 23.731 26.721 1.00 6.00 ? ? ? ? ? . 98 ILE A CG2 17 ATOM 755 C CD1 . ILE A 17 98 . -0.330 20.105 25.899 1.00 6.00 ? ? ? ? ? . 98 ILE A CD1 17 ATOM 756 N N . VAL A 17 99 . -4.482 23.862 26.721 1.00 7.00 ? ? ? ? ? . 99 VAL A N 17 ATOM 757 C CA . VAL A 17 99 . -5.076 24.851 26.278 1.00 6.00 ? ? ? ? ? . 99 VAL A CA 17 ATOM 758 C C . VAL A 17 99 . -6.262 25.379 27.416 1.00 6.00 ? ? ? ? ? . 99 VAL A C 17 ATOM 759 O O . VAL A 17 99 . -6.856 26.433 27.289 1.00 8.00 ? ? ? ? ? . 99 VAL A O 17 ATOM 760 C CB . VAL A 17 99 . -6.328 24.653 25.015 1.00 6.00 ? ? ? ? ? . 99 VAL A CB 17 ATOM 761 C CG1 . VAL A 17 99 . -7.449 23.731 25.647 1.00 6.00 ? ? ? ? ? . 99 VAL A CG1 17 ATOM 762 C CG2 . VAL A 17 99 . -6.724 25.510 24.383 1.00 6.00 ? ? ? ? ? . 99 VAL A CG2 17 ATOM 763 N N . SER A 17 100 . -6.262 24.522 28.553 1.00 7.00 ? ? ? ? ? . 100 SER A N 17 ATOM 764 C CA . SER A 17 100 . -7.581 24.851 29.563 1.00 6.00 ? ? ? ? ? . 100 SER A CA 17 ATOM 765 C C . SER A 17 100 . -6.724 25.049 30.953 1.00 6.00 ? ? ? ? ? . 100 SER A C 17 ATOM 766 O O . SER A 17 100 . -7.449 25.247 31.648 1.00 8.00 ? ? ? ? ? . 100 SER A O 17 ATOM 767 C CB . SER A 17 100 . -8.240 24.060 29.816 1.00 6.00 ? ? ? ? ? . 100 SER A CB 17 ATOM 768 O OG . SER A 17 100 . -9.097 23.203 28.995 1.00 8.00 ? ? ? ? ? . 100 SER A OG 17 ATOM 769 N N . ASP A 17 101 . -5.537 25.379 30.953 1.00 7.00 ? ? ? ? ? . 101 ASP A N 17 ATOM 770 C CA . ASP A 17 101 . -4.944 25.313 32.153 1.00 6.00 ? ? ? ? ? . 101 ASP A CA 17 ATOM 771 C C . ASP A 17 101 . -4.746 26.697 32.406 1.00 6.00 ? ? ? ? ? . 101 ASP A C 17 ATOM 772 O O . ASP A 17 101 . -5.142 27.158 33.353 1.00 8.00 ? ? ? ? ? . 101 ASP A O 17 ATOM 773 C CB . ASP A 17 101 . -3.626 24.588 32.343 1.00 6.00 ? ? ? ? ? . 101 ASP A CB 17 ATOM 774 C CG . ASP A 17 101 . -3.253 23.268 31.950 1.00 6.00 ? ? ? ? ? . 101 ASP A CG 17 ATOM 775 O OD1 . ASP A 17 101 . -4.205 22.509 31.996 1.00 8.00 ? ? ? ? ? . 101 ASP A OD1 17 ATOM 776 O OD2 . ASP A 17 101 . -2.170 22.841 31.654 1.00 8.00 ? ? ? ? ? . 101 ASP A OD2 17 ATOM 777 N N . GLY A 17 102 . -4.417 27.686 31.585 1.00 7.00 ? ? ? ? ? . 102 GLY A N 17 ATOM 778 C CA . GLY A 17 102 . -4.482 29.004 31.774 1.00 6.00 ? ? ? ? ? . 102 GLY A CA 17 ATOM 779 C C . GLY A 17 102 . -4.219 29.993 30.700 1.00 6.00 ? ? ? ? ? . 102 GLY A C 17 ATOM 780 O O . GLY A 17 102 . -4.614 30.982 30.700 1.00 8.00 ? ? ? ? ? . 102 GLY A O 17 ATOM 781 N N . ASN A 17 103 . -3.626 29.597 29.563 1.00 7.00 ? ? ? ? ? . 103 ASN A N 17 ATOM 782 C CA . ASN A 17 103 . -2.769 30.454 28.679 1.00 6.00 ? ? ? ? ? . 103 ASN A CA 17 ATOM 783 C C . ASN A 17 103 . -3.032 30.520 27.226 1.00 6.00 ? ? ? ? ? . 103 ASN A C 17 ATOM 784 O O . ASN A 17 103 . -2.439 30.982 26.405 1.00 8.00 ? ? ? ? ? . 103 ASN A O 17 ATOM 785 C CB . ASN A 17 103 . -1.450 30.322 28.742 1.00 6.00 ? ? ? ? ? . 103 ASN A CB 17 ATOM 786 C CG . ASN A 17 103 . -0.791 30.586 30.321 1.00 6.00 ? ? ? ? ? . 103 ASN A CG 17 ATOM 787 O OD1 . ASN A 17 103 . -0.659 31.641 30.448 1.00 8.00 ? ? ? ? ? . 103 ASN A OD1 17 ATOM 788 N ND2 . ASN A 17 103 . -0.132 29.993 30.953 1.00 8.00 ? ? ? ? ? . 103 ASN A ND2 17 ATOM 789 N N . GLY A 17 104 . -4.087 29.729 27.163 1.00 7.00 ? ? ? ? ? . 104 GLY A N 17 ATOM 790 C CA . GLY A 17 104 . -4.614 29.334 25.899 1.00 6.00 ? ? ? ? ? . 104 GLY A CA 17 ATOM 791 C C . GLY A 17 104 . -3.560 28.806 25.015 1.00 6.00 ? ? ? ? ? . 104 GLY A C 17 ATOM 792 O O . GLY A 17 104 . -2.637 28.015 25.647 1.00 8.00 ? ? ? ? ? . 104 GLY A O 17 ATOM 793 N N . MET A 17 105 . -3.823 29.268 23.752 1.00 7.00 ? ? ? ? ? . 105 MET A N 17 ATOM 794 C CA . MET A 17 105 . -2.966 28.674 22.741 1.00 6.00 ? ? ? ? ? . 105 MET A CA 17 ATOM 795 C C . MET A 17 105 . -1.648 29.465 22.741 1.00 6.00 ? ? ? ? ? . 105 MET A C 17 ATOM 796 O O . MET A 17 105 . -0.659 29.334 21.920 1.00 8.00 ? ? ? ? ? . 105 MET A O 17 ATOM 797 C CB . MET A 17 105 . -3.494 28.740 21.414 1.00 6.00 ? ? ? ? ? . 105 MET A CB 17 ATOM 798 C CG . MET A 17 105 . -4.614 27.949 21.730 1.00 6.00 ? ? ? ? ? . 105 MET A CG 17 ATOM 799 S SD . MET A 17 105 . -5.076 27.488 20.025 1.00 16.00 ? ? ? ? ? . 105 MET A SD 17 ATOM 800 C CE . MET A 17 105 . -3.823 26.367 19.203 1.00 6.00 ? ? ? ? ? . 105 MET A CE 17 ATOM 801 N N . ASN A 17 106 . -1.450 30.322 23.752 1.00 7.00 ? ? ? ? ? . 106 ASN A N 17 ATOM 802 C CA . ASN A 17 106 . -0.198 31.311 24.004 1.00 6.00 ? ? ? ? ? . 106 ASN A CA 17 ATOM 803 C C . ASN A 17 106 . 0.857 30.388 24.510 1.00 6.00 ? ? ? ? ? . 106 ASN A C 17 ATOM 804 O O . ASN A 17 106 . 1.978 30.718 24.320 1.00 8.00 ? ? ? ? ? . 106 ASN A O 17 ATOM 805 C CB . ASN A 17 106 . -0.725 32.300 25.015 1.00 6.00 ? ? ? ? ? . 106 ASN A CB 17 ATOM 806 C CG . ASN A 17 106 . -1.187 33.618 24.068 1.00 6.00 ? ? ? ? ? . 106 ASN A CG 17 ATOM 807 O OD1 . ASN A 17 106 . -0.659 34.278 23.373 1.00 7.00 ? ? ? ? ? . 106 ASN A OD1 17 ATOM 808 N ND2 . ASN A 17 106 . -2.241 33.948 24.636 1.00 7.00 ? ? ? ? ? . 106 ASN A ND2 17 ATOM 809 N N . ALA A 17 107 . 0.659 29.334 25.268 1.00 7.00 ? ? ? ? ? . 107 ALA A N 17 ATOM 810 C CA . ALA A 17 107 . 1.318 28.213 25.647 1.00 6.00 ? ? ? ? ? . 107 ALA A CA 17 ATOM 811 C C . ALA A 17 107 . 1.978 27.554 24.447 1.00 6.00 ? ? ? ? ? . 107 ALA A C 17 ATOM 812 O O . ALA A 17 107 . 3.164 26.829 24.573 1.00 8.00 ? ? ? ? ? . 107 ALA A O 17 ATOM 813 C CB . ALA A 17 107 . 0.659 26.829 26.531 1.00 6.00 ? ? ? ? ? . 107 ALA A CB 17 ATOM 814 N N . TRP A 17 108 . 1.846 27.686 23.309 1.00 7.00 ? ? ? ? ? . 108 TRP A N 17 ATOM 815 C CA . TRP A 17 108 . 2.373 27.554 22.109 1.00 6.00 ? ? ? ? ? . 108 TRP A CA 17 ATOM 816 C C . TRP A 17 108 . 3.164 28.806 21.351 1.00 6.00 ? ? ? ? ? . 108 TRP A C 17 ATOM 817 O O . TRP A 17 108 . 2.373 29.136 20.530 1.00 8.00 ? ? ? ? ? . 108 TRP A O 17 ATOM 818 C CB . TRP A 17 108 . 1.648 26.829 20.909 1.00 6.00 ? ? ? ? ? . 108 TRP A CB 17 ATOM 819 C CG . TRP A 17 108 . 1.055 25.510 21.288 1.00 6.00 ? ? ? ? ? . 108 TRP A CG 17 ATOM 820 C CD1 . TRP A 17 108 . 1.780 24.390 20.972 1.00 6.00 ? ? ? ? ? . 108 TRP A CD1 17 ATOM 821 C CD2 . TRP A 17 108 . -0.198 24.851 21.920 1.00 6.00 ? ? ? ? ? . 108 TRP A CD2 17 ATOM 822 N NE1 . TRP A 17 108 . 0.791 23.137 21.288 1.00 7.00 ? ? ? ? ? . 108 TRP A NE1 17 ATOM 823 C CE2 . TRP A 17 108 . -0.132 23.533 21.857 1.00 6.00 ? ? ? ? ? . 108 TRP A CE2 17 ATOM 824 C CE3 . TRP A 17 108 . -1.187 25.576 22.362 1.00 6.00 ? ? ? ? ? . 108 TRP A CE3 17 ATOM 825 C CZ2 . TRP A 17 108 . -1.318 22.874 22.299 1.00 6.00 ? ? ? ? ? . 108 TRP A CZ2 17 ATOM 826 C CZ3 . TRP A 17 108 . -2.109 24.851 22.867 1.00 6.00 ? ? ? ? ? . 108 TRP A CZ3 17 ATOM 827 C CH2 . TRP A 17 108 . -2.109 23.467 22.867 1.00 6.00 ? ? ? ? ? . 108 TRP A CH2 17 ATOM 828 N N . VAL A 17 109 . 4.351 28.806 21.857 1.00 7.00 ? ? ? ? ? . 109 VAL A N 17 ATOM 829 C CA . VAL A 17 109 . 5.273 29.861 21.288 1.00 6.00 ? ? ? ? ? . 109 VAL A CA 17 ATOM 830 C C . VAL A 17 109 . 4.944 30.125 19.709 1.00 6.00 ? ? ? ? ? . 109 VAL A C 17 ATOM 831 O O . VAL A 17 109 . 4.614 31.509 19.330 1.00 8.00 ? ? ? ? ? . 109 VAL A O 17 ATOM 832 C CB . VAL A 17 109 . 6.658 29.531 21.351 1.00 6.00 ? ? ? ? ? . 109 VAL A CB 17 ATOM 833 C CG1 . VAL A 17 109 . 6.995 28.230 20.251 1.00 6.00 ? ? ? ? ? . 109 VAL A CG1 17 ATOM 834 C CG2 . VAL A 17 109 . 7.581 30.652 20.846 1.00 6.00 ? ? ? ? ? . 109 VAL A CG2 17 ATOM 835 N N . ALA A 17 110 . 4.812 29.268 18.888 1.00 7.00 ? ? ? ? ? . 110 ALA A N 17 ATOM 836 C CA . ALA A 17 110 . 4.482 29.466 17.435 1.00 6.00 ? ? ? ? ? . 110 ALA A CA 17 ATOM 837 C C . ALA A 17 110 . 3.164 29.993 17.056 1.00 6.00 ? ? ? ? ? . 110 ALA A C 17 ATOM 838 O O . ALA A 17 110 . 3.032 30.784 16.171 1.00 8.00 ? ? ? ? ? . 110 ALA A O 17 ATOM 839 C CB . ALA A 17 110 . 4.614 27.818 16.487 1.00 6.00 ? ? ? ? ? . 110 ALA A CB 17 ATOM 840 N N . TRP A 17 111 . 1.978 29.663 17.435 1.00 7.00 ? ? ? ? ? . 111 TRP A N 17 ATOM 841 C CA . TRP A 17 111 . 0.461 30.322 17.182 1.00 6.00 ? ? ? ? ? . 111 TRP A CA 17 ATOM 842 C C . TRP A 17 111 . 0.593 31.707 17.308 1.00 6.00 ? ? ? ? ? . 111 TRP A C 17 ATOM 843 O O . TRP A 17 111 . 0.000 32.630 16.424 1.00 8.00 ? ? ? ? ? . 111 TRP A O 17 ATOM 844 C CB . TRP A 17 111 . -0.659 29.268 17.940 1.00 6.00 ? ? ? ? ? . 111 TRP A CB 17 ATOM 845 C CG . TRP A 17 111 . -1.846 30.125 18.066 1.00 6.00 ? ? ? ? ? . 111 TRP A CG 17 ATOM 846 C CD1 . TRP A 17 111 . -2.637 29.861 17.182 1.00 6.00 ? ? ? ? ? . 111 TRP A CD1 17 ATOM 847 C CD2 . TRP A 17 111 . -2.175 30.850 19.140 1.00 6.00 ? ? ? ? ? . 111 TRP A CD2 17 ATOM 848 N NE1 . TRP A 17 111 . -3.889 30.520 17.687 1.00 7.00 ? ? ? ? ? . 111 TRP A NE1 17 ATOM 849 C CE2 . TRP A 17 111 . -3.691 31.179 18.888 1.00 6.00 ? ? ? ? ? . 111 TRP A CE2 17 ATOM 850 C CE3 . TRP A 17 111 . -1.780 31.509 20.214 1.00 6.00 ? ? ? ? ? . 111 TRP A CE3 17 ATOM 851 C CZ2 . TRP A 17 111 . -4.153 31.970 19.709 1.00 6.00 ? ? ? ? ? . 111 TRP A CZ2 17 ATOM 852 C CZ3 . TRP A 17 111 . -2.307 32.036 20.972 1.00 6.00 ? ? ? ? ? . 111 TRP A CZ3 17 ATOM 853 C CH2 . TRP A 17 111 . -3.823 32.300 20.783 1.00 6.00 ? ? ? ? ? . 111 TRP A CH2 17 ATOM 854 N N . ARG A 17 112 . 1.121 31.839 18.509 1.00 7.00 ? ? ? ? ? . 112 ARG A N 17 ATOM 855 C CA . ARG A 17 112 . 1.318 33.289 19.203 1.00 6.00 ? ? ? ? ? . 112 ARG A CA 17 ATOM 856 C C . ARG A 17 112 . 2.175 34.014 18.130 1.00 6.00 ? ? ? ? ? . 112 ARG A C 17 ATOM 857 O O . ARG A 17 112 . 1.648 35.069 17.687 1.00 8.00 ? ? ? ? ? . 112 ARG A O 17 ATOM 858 C CB . ARG A 17 112 . 2.043 33.091 20.467 1.00 6.00 ? ? ? ? ? . 112 ARG A CB 17 ATOM 859 C CG . ARG A 17 112 . 2.109 34.739 21.099 1.00 6.00 ? ? ? ? ? . 112 ARG A CG 17 ATOM 860 C CD . ARG A 17 112 . 3.032 34.607 22.362 1.00 6.00 ? ? ? ? ? . 112 ARG A CD 17 ATOM 861 N NE . ARG A 17 112 . 2.307 33.618 23.373 1.00 7.00 ? ? ? ? ? . 112 ARG A NE 17 ATOM 862 C CZ . ARG A 17 112 . 3.019 33.140 24.395 1.00 6.00 ? ? ? ? ? . 112 ARG A CZ 17 ATOM 863 N NH1 . ARG A 17 112 . 4.338 33.335 24.539 1.00 7.00 ? ? ? ? ? . 112 ARG A NH1 17 ATOM 864 N NH2 . ARG A 17 112 . 2.351 32.434 25.289 1.00 7.00 ? ? ? ? ? . 112 ARG A NH2 17 ATOM 865 N N . ASN A 17 113 . 3.296 33.816 17.814 1.00 7.00 ? ? ? ? ? . 113 ASN A N 17 ATOM 866 C CA . ASN A 17 113 . 4.219 34.673 16.993 1.00 6.00 ? ? ? ? ? . 113 ASN A CA 17 ATOM 867 C C . ASN A 17 113 . 3.494 34.739 15.413 1.00 6.00 ? ? ? ? ? . 113 ASN A C 17 ATOM 868 O O . ASN A 17 113 . 3.691 35.794 14.908 1.00 8.00 ? ? ? ? ? . 113 ASN A O 17 ATOM 869 C CB . ASN A 17 113 . 5.537 34.014 17.056 1.00 6.00 ? ? ? ? ? . 113 ASN A CB 17 ATOM 870 C CG . ASN A 17 113 . 6.262 34.409 18.445 1.00 6.00 ? ? ? ? ? . 113 ASN A CG 17 ATOM 871 O OD1 . ASN A 17 113 . 5.867 35.266 18.951 1.00 7.00 ? ? ? ? ? . 113 ASN A OD1 17 ATOM 872 N ND2 . ASN A 17 113 . 7.053 33.421 18.761 1.00 7.00 ? ? ? ? ? . 113 ASN A ND2 17 ATOM 873 N N . ARG A 17 114 . 3.230 33.552 14.971 1.00 7.00 ? ? ? ? ? . 114 ARG A N 17 ATOM 874 C CA . ARG A 17 114 . 2.769 33.355 13.455 1.00 6.00 ? ? ? ? ? . 114 ARG A CA 17 ATOM 875 C C . ARG A 17 114 . 1.252 33.157 13.139 1.00 6.00 ? ? ? ? ? . 114 ARG A C 17 ATOM 876 O O . ARG A 17 114 . 1.055 33.289 12.128 1.00 8.00 ? ? ? ? ? . 114 ARG A O 17 ATOM 877 C CB . ARG A 17 114 . 3.560 32.102 12.823 1.00 6.00 ? ? ? ? ? . 114 ARG A CB 17 ATOM 878 C CG . ARG A 17 114 . 4.746 31.970 13.455 1.00 6.00 ? ? ? ? ? . 114 ARG A CG 17 ATOM 879 C CD . ARG A 17 114 . 5.735 31.179 12.634 1.00 6.00 ? ? ? ? ? . 114 ARG A CD 17 ATOM 880 N NE . ARG A 17 114 . 5.801 31.509 11.181 1.00 7.00 ? ? ? ? ? . 114 ARG A NE 17 ATOM 881 C CZ . ARG A 17 114 . 6.460 30.652 10.549 1.00 6.00 ? ? ? ? ? . 114 ARG A CZ 17 ATOM 882 N NH1 . ARG A 17 114 . 7.251 29.663 11.244 1.00 7.00 ? ? ? ? ? . 114 ARG A NH1 17 ATOM 883 N NH2 . ARG A 17 114 . 6.064 30.982 9.286 1.00 7.00 ? ? ? ? ? . 114 ARG A NH2 17 ATOM 884 N N . CYS A 17 115 . 0.330 33.091 14.150 1.00 7.00 ? ? ? ? ? . 115 CYS A N 17 ATOM 885 C CA . CYS A 17 115 . -1.121 32.564 13.771 1.00 6.00 ? ? ? ? ? . 115 CYS A CA 17 ATOM 886 C C . CYS A 17 115 . -1.978 33.552 14.529 1.00 6.00 ? ? ? ? ? . 115 CYS A C 17 ATOM 887 O O . CYS A 17 115 . -2.769 34.080 14.213 1.00 8.00 ? ? ? ? ? . 115 CYS A O 17 ATOM 888 C CB . CYS A 17 115 . -1.648 31.443 14.213 1.00 6.00 ? ? ? ? ? . 115 CYS A CB 17 ATOM 889 S SG . CYS A 17 115 . -0.857 29.663 13.897 1.00 16.00 ? ? ? ? ? . 115 CYS A SG 17 ATOM 890 N N . LYS A 17 116 . -1.648 34.080 15.792 1.00 7.00 ? ? ? ? ? . 116 LYS A N 17 ATOM 891 C CA . LYS A 17 116 . -2.373 34.937 16.677 1.00 6.00 ? ? ? ? ? . 116 LYS A CA 17 ATOM 892 C C . LYS A 17 116 . -2.637 36.387 16.045 1.00 6.00 ? ? ? ? ? . 116 LYS A C 17 ATOM 893 O O . LYS A 17 116 . -1.912 36.980 16.045 1.00 8.00 ? ? ? ? ? . 116 LYS A O 17 ATOM 894 C CB . LYS A 17 116 . -1.846 35.266 18.193 1.00 6.00 ? ? ? ? ? . 116 LYS A CB 17 ATOM 895 C CG . LYS A 17 116 . -2.439 35.925 19.077 1.00 6.00 ? ? ? ? ? . 116 LYS A CG 17 ATOM 896 C CD . LYS A 17 116 . -2.175 35.662 20.277 1.00 6.00 ? ? ? ? ? . 116 LYS A CD 17 ATOM 897 C CE . LYS A 17 116 . -2.307 36.716 21.288 1.00 6.00 ? ? ? ? ? . 116 LYS A CE 17 ATOM 898 N NZ . LYS A 17 116 . -1.846 36.585 22.615 1.00 7.00 ? ? ? ? ? . 116 LYS A NZ 17 ATOM 899 N N . GLY A 17 117 . -3.757 36.585 15.792 1.00 7.00 ? ? ? ? ? . 117 GLY A N 17 ATOM 900 C CA . GLY A 17 117 . -4.153 37.639 15.224 1.00 6.00 ? ? ? ? ? . 117 GLY A CA 17 ATOM 901 C C . GLY A 17 117 . -4.153 37.639 13.645 1.00 6.00 ? ? ? ? ? . 117 GLY A C 17 ATOM 902 O O . GLY A 17 117 . -4.087 38.892 13.266 1.00 8.00 ? ? ? ? ? . 117 GLY A O 17 ATOM 903 N N . THR A 17 118 . -4.087 36.651 12.823 1.00 7.00 ? ? ? ? ? . 118 THR A N 17 ATOM 904 C CA . THR A 17 118 . -4.087 36.519 11.370 1.00 6.00 ? ? ? ? ? . 118 THR A CA 17 ATOM 905 C C . THR A 17 118 . -5.537 35.860 11.055 1.00 6.00 ? ? ? ? ? . 118 THR A C 17 ATOM 906 O O . THR A 17 118 . -6.130 35.464 11.876 1.00 8.00 ? ? ? ? ? . 118 THR A O 17 ATOM 907 C CB . THR A 17 118 . -2.900 35.596 10.928 1.00 6.00 ? ? ? ? ? . 118 THR A CB 17 ATOM 908 O OG1 . THR A 17 118 . -2.966 34.278 11.244 1.00 8.00 ? ? ? ? ? . 118 THR A OG1 17 ATOM 909 C CG2 . THR A 17 118 . -1.582 36.123 11.749 1.00 6.00 ? ? ? ? ? . 118 THR A CG2 17 ATOM 910 N N . ASP A 17 119 . -5.933 35.596 9.854 1.00 7.00 ? ? ? ? ? . 119 ASP A N 17 ATOM 911 C CA . ASP A 17 119 . -7.185 35.200 9.475 1.00 6.00 ? ? ? ? ? . 119 ASP A CA 17 ATOM 912 C C . ASP A 17 119 . -6.987 33.421 9.223 1.00 6.00 ? ? ? ? ? . 119 ASP A C 17 ATOM 913 O O . ASP A 17 119 . -6.592 33.091 8.212 1.00 8.00 ? ? ? ? ? . 119 ASP A O 17 ATOM 914 C CB . ASP A 17 119 . -7.910 35.596 8.212 1.00 6.00 ? ? ? ? ? . 119 ASP A CB 17 ATOM 915 C CG . ASP A 17 119 . -7.383 35.398 6.949 1.00 6.00 ? ? ? ? ? . 119 ASP A CG 17 ATOM 916 O OD1 . ASP A 17 119 . -8.042 34.937 6.506 1.00 8.00 ? ? ? ? ? . 119 ASP A OD1 17 ATOM 917 O OD2 . ASP A 17 119 . -6.592 35.596 6.822 1.00 8.00 ? ? ? ? ? . 119 ASP A OD2 17 ATOM 918 N N . VAL A 17 120 . -6.921 32.761 10.486 1.00 7.00 ? ? ? ? ? . 120 VAL A N 17 ATOM 919 C CA . VAL A 17 120 . -6.592 31.311 10.676 1.00 6.00 ? ? ? ? ? . 120 VAL A CA 17 ATOM 920 C C . VAL A 17 120 . -7.778 30.784 9.854 1.00 6.00 ? ? ? ? ? . 120 VAL A C 17 ATOM 921 O O . VAL A 17 120 . -7.383 29.663 9.475 1.00 8.00 ? ? ? ? ? . 120 VAL A O 17 ATOM 922 C CB . VAL A 17 120 . -6.790 31.113 12.192 1.00 6.00 ? ? ? ? ? . 120 VAL A CB 17 ATOM 923 C CG1 . VAL A 17 120 . -5.537 31.970 12.887 1.00 6.00 ? ? ? ? ? . 120 VAL A CG1 17 ATOM 924 C CG2 . VAL A 17 120 . -7.976 31.707 12.760 1.00 6.00 ? ? ? ? ? . 120 VAL A CG2 17 ATOM 925 N N . GLN A 17 121 . -8.965 31.113 9.475 1.00 7.00 ? ? ? ? ? . 121 GLN A N 17 ATOM 926 C CA . GLN A 17 121 . -9.954 30.520 8.591 1.00 6.00 ? ? ? ? ? . 121 GLN A CA 17 ATOM 927 C C . GLN A 17 121 . -9.558 29.993 7.075 1.00 6.00 ? ? ? ? ? . 121 GLN A C 17 ATOM 928 O O . GLN A 17 121 . -9.888 29.202 6.949 1.00 8.00 ? ? ? ? ? . 121 GLN A O 17 ATOM 929 C CB . GLN A 17 121 . -11.074 31.443 8.402 1.00 6.00 ? ? ? ? ? . 121 GLN A CB 17 ATOM 930 C CG . GLN A 17 121 . -11.536 32.036 9.475 1.00 6.00 ? ? ? ? ? . 121 GLN A CG 17 ATOM 931 C CD . GLN A 17 121 . -12.650 33.097 9.556 1.00 6.00 ? ? ? ? ? . 121 GLN A CD 17 ATOM 932 O OE1 . GLN A 17 121 . -13.394 33.336 10.568 1.00 7.00 ? ? ? ? ? . 121 GLN A OE1 17 ATOM 933 N NE2 . GLN A 17 121 . -12.737 33.728 8.462 1.00 7.00 ? ? ? ? ? . 121 GLN A NE2 17 ATOM 934 N N . ALA A 17 122 . -8.438 30.718 6.696 1.00 7.00 ? ? ? ? ? . 122 ALA A N 17 ATOM 935 C CA . ALA A 17 122 . -7.844 30.652 5.306 1.00 6.00 ? ? ? ? ? . 122 ALA A CA 17 ATOM 936 C C . ALA A 17 122 . -6.987 29.136 5.243 1.00 6.00 ? ? ? ? ? . 122 ALA A C 17 ATOM 937 O O . ALA A 17 122 . -6.921 28.674 4.548 1.00 8.00 ? ? ? ? ? . 122 ALA A O 17 ATOM 938 C CB . ALA A 17 122 . -6.724 31.509 4.864 1.00 6.00 ? ? ? ? ? . 122 ALA A CB 17 ATOM 939 N N . TRP A 17 123 . -6.856 28.740 6.506 1.00 7.00 ? ? ? ? ? . 123 TRP A N 17 ATOM 940 C CA . TRP A 17 123 . -6.262 27.290 6.759 1.00 6.00 ? ? ? ? ? . 123 TRP A CA 17 ATOM 941 C C . TRP A 17 123 . -7.053 26.499 6.317 1.00 6.00 ? ? ? ? ? . 123 TRP A C 17 ATOM 942 O O . TRP A 17 123 . -6.724 25.049 5.938 1.00 8.00 ? ? ? ? ? . 123 TRP A O 17 ATOM 943 C CB . TRP A 17 123 . -5.405 27.158 8.149 1.00 6.00 ? ? ? ? ? . 123 TRP A CB 17 ATOM 944 C CG . TRP A 17 123 . -4.153 28.279 8.149 1.00 6.00 ? ? ? ? ? . 123 TRP A CG 17 ATOM 945 C CD1 . TRP A 17 123 . -3.823 29.334 8.591 1.00 6.00 ? ? ? ? ? . 123 TRP A CD1 17 ATOM 946 C CD2 . TRP A 17 123 . -3.230 27.752 7.391 1.00 6.00 ? ? ? ? ? . 123 TRP A CD2 17 ATOM 947 N NE1 . TRP A 17 123 . -2.703 29.597 8.212 1.00 7.00 ? ? ? ? ? . 123 TRP A NE1 17 ATOM 948 C CE2 . TRP A 17 123 . -2.307 28.740 7.517 1.00 6.00 ? ? ? ? ? . 123 TRP A CE2 17 ATOM 949 C CE3 . TRP A 17 123 . -2.900 26.697 6.633 1.00 6.00 ? ? ? ? ? . 123 TRP A CE3 17 ATOM 950 C CZ2 . TRP A 17 123 . -1.055 28.609 6.885 1.00 6.00 ? ? ? ? ? . 123 TRP A CZ2 17 ATOM 951 C CZ3 . TRP A 17 123 . -1.648 26.565 6.064 1.00 6.00 ? ? ? ? ? . 123 TRP A CZ3 17 ATOM 952 C CH2 . TRP A 17 123 . -0.857 27.422 6.127 1.00 6.00 ? ? ? ? ? . 123 TRP A CH2 17 ATOM 953 N N . ILE A 17 124 . -8.569 26.433 6.696 1.00 7.00 ? ? ? ? ? . 124 ILE A N 17 ATOM 954 C CA . ILE A 17 124 . -9.756 25.576 6.570 1.00 6.00 ? ? ? ? ? . 124 ILE A CA 17 ATOM 955 C C . ILE A 17 124 . -10.415 25.906 5.369 1.00 6.00 ? ? ? ? ? . 124 ILE A C 17 ATOM 956 O O . ILE A 17 124 . -11.470 25.181 5.054 1.00 8.00 ? ? ? ? ? . 124 ILE A O 17 ATOM 957 C CB . ILE A 17 124 . -10.415 25.379 7.833 1.00 6.00 ? ? ? ? ? . 124 ILE A CB 17 ATOM 958 C CG1 . ILE A 17 124 . -11.206 26.697 8.212 1.00 6.00 ? ? ? ? ? . 124 ILE A CG1 17 ATOM 959 C CG2 . ILE A 17 124 . -9.888 24.522 8.844 1.00 6.00 ? ? ? ? ? . 124 ILE A CG2 17 ATOM 960 C CD1 . ILE A 17 124 . -11.865 26.367 9.286 1.00 6.00 ? ? ? ? ? . 124 ILE A CD1 17 ATOM 961 N N . ARG A 17 125 . -10.283 26.829 4.611 1.00 7.00 ? ? ? ? ? . 125 ARG A N 17 ATOM 962 C CA . ARG A 17 125 . -10.877 27.026 3.411 1.00 6.00 ? ? ? ? ? . 125 ARG A CA 17 ATOM 963 C C . ARG A 17 125 . -10.679 25.972 2.337 1.00 6.00 ? ? ? ? ? . 125 ARG A C 17 ATOM 964 O O . ARG A 17 125 . -9.888 25.708 2.085 1.00 8.00 ? ? ? ? ? . 125 ARG A O 17 ATOM 965 C CB . ARG A 17 125 . -10.481 28.477 2.779 1.00 6.00 ? ? ? ? ? . 125 ARG A CB 17 ATOM 966 C CG . ARG A 17 125 . -10.439 29.656 3.950 1.00 6.00 ? ? ? ? ? . 125 ARG A CG 17 ATOM 967 C CD . ARG A 17 125 . -9.397 30.695 3.583 1.00 6.00 ? ? ? ? ? . 125 ARG A CD 17 ATOM 968 N NE . ARG A 17 125 . -9.394 31.806 4.549 1.00 7.00 ? ? ? ? ? . 125 ARG A NE 17 ATOM 969 C CZ . ARG A 17 125 . -8.365 32.672 4.678 1.00 6.00 ? ? ? ? ? . 125 ARG A CZ 17 ATOM 970 N NH1 . ARG A 17 125 . -7.208 32.468 4.033 1.00 7.00 ? ? ? ? ? . 125 ARG A NH1 17 ATOM 971 N NH2 . ARG A 17 125 . -8.518 33.735 5.448 1.00 7.00 ? ? ? ? ? . 125 ARG A NH2 17 ATOM 972 N N . GLY A 17 126 . -11.668 25.510 1.832 1.00 7.00 ? ? ? ? ? . 126 GLY A N 17 ATOM 973 C CA . GLY A 17 126 . -11.602 24.588 0.695 1.00 6.00 ? ? ? ? ? . 126 GLY A CA 17 ATOM 974 C C . GLY A 17 126 . -11.931 23.137 1.327 1.00 6.00 ? ? ? ? ? . 126 GLY A C 17 ATOM 975 O O . GLY A 17 126 . -12.195 22.478 0.821 1.00 8.00 ? ? ? ? ? . 126 GLY A O 17 ATOM 976 N N . CYS A 17 127 . -11.865 23.137 2.716 1.00 7.00 ? ? ? ? ? . 127 CYS A N 17 ATOM 977 C CA . CYS A 17 127 . -12.327 21.951 3.411 1.00 6.00 ? ? ? ? ? . 127 CYS A CA 17 ATOM 978 C C . CYS A 17 127 . -13.645 21.423 3.601 1.00 6.00 ? ? ? ? ? . 127 CYS A C 17 ATOM 979 O O . CYS A 17 127 . -14.568 22.280 3.727 1.00 8.00 ? ? ? ? ? . 127 CYS A O 17 ATOM 980 C CB . CYS A 17 127 . -11.404 21.687 4.738 1.00 6.00 ? ? ? ? ? . 127 CYS A CB 17 ATOM 981 S SG . CYS A 17 127 . -9.558 22.083 4.675 1.00 16.00 ? ? ? ? ? . 127 CYS A SG 17 ATOM 982 N N . ARG A 17 128 . -13.975 20.435 3.348 1.00 7.00 ? ? ? ? ? . 128 ARG A N 17 ATOM 983 C CA . ARG A 17 128 . -15.359 19.710 3.601 1.00 6.00 ? ? ? ? ? . 128 ARG A CA 17 ATOM 984 C C . ARG A 17 128 . -15.425 19.512 5.054 1.00 6.00 ? ? ? ? ? . 128 ARG A C 17 ATOM 985 O O . ARG A 17 128 . -14.634 18.589 5.306 1.00 8.00 ? ? ? ? ? . 128 ARG A O 17 ATOM 986 C CB . ARG A 17 128 . -15.623 18.853 2.653 1.00 6.00 ? ? ? ? ? . 128 ARG A CB 17 ATOM 987 C CG . ARG A 17 128 . -15.233 18.979 1.071 1.00 6.00 ? ? ? ? ? . 128 ARG A CG 17 ATOM 988 C CD . ARG A 17 128 . -14.831 17.707 0.350 1.00 6.00 ? ? ? ? ? . 128 ARG A CD 17 ATOM 989 N NE . ARG A 17 128 . -14.532 17.973 -1.066 1.00 7.00 ? ? ? ? ? . 128 ARG A NE 17 ATOM 990 C CZ . ARG A 17 128 . -13.825 17.126 -1.846 1.00 6.00 ? ? ? ? ? . 128 ARG A CZ 17 ATOM 991 N NH1 . ARG A 17 128 . -13.214 16.054 -1.321 1.00 7.00 ? ? ? ? ? . 128 ARG A NH1 17 ATOM 992 N NH2 . ARG A 17 128 . -13.750 17.364 -3.143 1.00 7.00 ? ? ? ? ? . 128 ARG A NH2 17 ATOM 993 N N . LEU A 17 129 . -15.952 20.105 5.812 1.00 7.00 ? ? ? ? ? . 129 LEU A N 17 ATOM 994 C CA . LEU A 17 129 . -15.952 19.907 7.264 1.00 6.00 ? ? ? ? ? . 129 LEU A CA 17 ATOM 995 C C . LEU A 17 129 . -17.402 19.907 7.707 1.00 6.00 ? ? ? ? ? . 129 LEU A C 17 ATOM 996 O O . LEU A 17 129 . -18.062 19.973 7.138 1.00 8.00 ? ? ? ? ? . 129 LEU A O 17 ATOM 997 C CB . LEU A 17 129 . -15.227 21.226 7.959 1.00 6.00 ? ? ? ? ? . 129 LEU A CB 17 ATOM 998 C CG . LEU A 17 129 . -13.909 21.423 7.391 1.00 6.00 ? ? ? ? ? . 129 LEU A CG 17 ATOM 999 C CD1 . LEU A 17 129 . -13.052 22.412 7.833 1.00 6.00 ? ? ? ? ? . 129 LEU A CD1 17 ATOM 1000 C CD2 . LEU A 17 129 . -12.854 19.973 7.833 1.00 6.00 ? ? ? ? ? . 129 LEU A CD2 17 ATOM 1001 O OXT . LEU A 17 129 . -17.864 19.907 8.844 1.00 8.00 ? ? ? ? ? . 129 LEU A OXT 17 ATOM 1 N N . LYS A 17 1 . 3.296 9.888 10.739 1.00 7.00 ? ? ? ? ? . 1 LYS A N 17 ATOM 2 C CA . LYS A 17 1 . 2.439 10.217 9.791 1.00 6.00 ? ? ? ? ? . 1 LYS A CA 17 ATOM 3 C C . LYS A 17 1 . 2.439 11.997 9.160 1.00 6.00 ? ? ? ? ? . 1 LYS A C 17 ATOM 4 O O . LYS A 17 1 . 2.637 12.656 10.107 1.00 8.00 ? ? ? ? ? . 1 LYS A O 17 ATOM 5 C CB . LYS A 17 1 . 0.659 10.086 8.844 1.00 6.00 ? ? ? ? ? . 1 LYS A CB 17 ATOM 6 C CG . LYS A 17 1 . 0.198 10.415 8.086 1.00 6.00 ? ? ? ? ? . 1 LYS A CG 17 ATOM 7 C CD . LYS A 17 1 . -1.187 10.086 8.212 1.00 6.00 ? ? ? ? ? . 1 LYS A CD 17 ATOM 8 C CE . LYS A 17 1 . -2.175 10.086 7.264 1.00 6.00 ? ? ? ? ? . 1 LYS A CE 17 ATOM 9 N NZ . LYS A 17 1 . -3.527 9.869 7.288 1.00 7.00 ? ? ? ? ? . 1 LYS A NZ 17 ATOM 10 N N . VAL A 17 2 . 2.637 12.722 7.707 1.00 7.00 ? ? ? ? ? . 2 VAL A N 17 ATOM 11 C CA . VAL A 17 2 . 2.307 14.172 7.580 1.00 6.00 ? ? ? ? ? . 2 VAL A CA 17 ATOM 12 C C . VAL A 17 2 . 0.857 14.041 6.949 1.00 6.00 ? ? ? ? ? . 2 VAL A C 17 ATOM 13 O O . VAL A 17 2 . 0.659 13.843 5.875 1.00 8.00 ? ? ? ? ? . 2 VAL A O 17 ATOM 14 C CB . VAL A 17 2 . 3.625 14.172 6.759 1.00 6.00 ? ? ? ? ? . 2 VAL A CB 17 ATOM 15 C CG1 . VAL A 17 2 . 3.494 15.491 6.317 1.00 6.00 ? ? ? ? ? . 2 VAL A CG1 17 ATOM 16 C CG2 . VAL A 17 2 . 4.746 13.843 7.580 1.00 6.00 ? ? ? ? ? . 2 VAL A CG2 17 ATOM 17 N N . PHE A 17 3 . 0.000 14.898 7.896 1.00 7.00 ? ? ? ? ? . 3 PHE A N 17 ATOM 18 C CA . PHE A 17 3 . -1.187 15.293 7.580 1.00 6.00 ? ? ? ? ? . 3 PHE A CA 17 ATOM 19 C C . PHE A 17 3 . -0.989 16.611 6.317 1.00 6.00 ? ? ? ? ? . 3 PHE A C 17 ATOM 20 O O . PHE A 17 3 . -0.330 17.139 6.317 1.00 8.00 ? ? ? ? ? . 3 PHE A O 17 ATOM 21 C CB . PHE A 17 3 . -1.846 15.161 8.844 1.00 6.00 ? ? ? ? ? . 3 PHE A CB 17 ATOM 22 C CG . PHE A 17 3 . -1.978 14.502 9.475 1.00 6.00 ? ? ? ? ? . 3 PHE A CG 17 ATOM 23 C CD1 . PHE A 17 3 . -3.757 14.107 9.160 1.00 6.00 ? ? ? ? ? . 3 PHE A CD1 17 ATOM 24 C CD2 . PHE A 17 3 . -1.582 14.041 10.423 1.00 6.00 ? ? ? ? ? . 3 PHE A CD2 17 ATOM 25 C CE1 . PHE A 17 3 . -4.417 13.381 9.791 1.00 6.00 ? ? ? ? ? . 3 PHE A CE1 17 ATOM 26 C CE2 . PHE A 17 3 . -2.109 13.316 11.370 1.00 6.00 ? ? ? ? ? . 3 PHE A CE2 17 ATOM 27 C CZ . PHE A 17 3 . -3.691 12.920 10.865 1.00 6.00 ? ? ? ? ? . 3 PHE A CZ 17 ATOM 28 N N . GLY A 17 4 . -2.505 16.611 5.875 1.00 7.00 ? ? ? ? ? . 4 GLY A N 17 ATOM 29 C CA . GLY A 17 4 . -2.637 17.468 4.864 1.00 6.00 ? ? ? ? ? . 4 GLY A CA 17 ATOM 30 C C . GLY A 17 4 . -3.626 18.787 5.685 1.00 6.00 ? ? ? ? ? . 4 GLY A C 17 ATOM 31 O O . GLY A 17 4 . -3.955 17.930 6.633 1.00 8.00 ? ? ? ? ? . 4 GLY A O 17 ATOM 32 N N . ARG A 17 5 . -3.494 19.841 5.054 1.00 7.00 ? ? ? ? ? . 5 ARG A N 17 ATOM 33 C CA . ARG A 17 5 . -3.823 20.764 5.685 1.00 6.00 ? ? ? ? ? . 5 ARG A CA 17 ATOM 34 C C . ARG A 17 5 . -4.944 20.303 5.875 1.00 6.00 ? ? ? ? ? . 5 ARG A C 17 ATOM 35 O O . ARG A 17 5 . -5.801 20.237 6.633 1.00 8.00 ? ? ? ? ? . 5 ARG A O 17 ATOM 36 C CB . ARG A 17 5 . -4.285 21.687 4.738 1.00 6.00 ? ? ? ? ? . 5 ARG A CB 17 ATOM 37 C CG . ARG A 17 5 . -4.482 23.005 5.054 1.00 6.00 ? ? ? ? ? . 5 ARG A CG 17 ATOM 38 C CD . ARG A 17 5 . -4.482 23.994 4.232 1.00 6.00 ? ? ? ? ? . 5 ARG A CD 17 ATOM 39 N NE . ARG A 17 5 . -5.273 24.390 3.158 1.00 7.00 ? ? ? ? ? . 5 ARG A NE 17 ATOM 40 C CZ . ARG A 17 5 . -6.065 24.588 3.158 1.00 6.00 ? ? ? ? ? . 5 ARG A CZ 17 ATOM 41 N NH1 . ARG A 17 5 . -7.119 24.851 3.980 1.00 7.00 ? ? ? ? ? . 5 ARG A NH1 17 ATOM 42 N NH2 . ARG A 17 5 . -7.119 25.576 1.895 1.00 7.00 ? ? ? ? ? . 5 ARG A NH2 17 ATOM 43 N N . CYS A 17 6 . -5.933 20.435 4.611 1.00 7.00 ? ? ? ? ? . 6 CYS A N 17 ATOM 44 C CA . CYS A 17 6 . -7.581 20.105 4.611 1.00 6.00 ? ? ? ? ? . 6 CYS A CA 17 ATOM 45 C C . CYS A 17 6 . -7.910 18.787 5.875 1.00 6.00 ? ? ? ? ? . 6 CYS A C 17 ATOM 46 O O . CYS A 17 6 . -8.240 18.457 6.759 1.00 8.00 ? ? ? ? ? . 6 CYS A O 17 ATOM 47 C CB . CYS A 17 6 . -8.042 19.775 3.474 1.00 6.00 ? ? ? ? ? . 6 CYS A CB 17 ATOM 48 S SG . CYS A 17 6 . -8.899 21.423 2.843 1.00 16.00 ? ? ? ? ? . 6 CYS A SG 17 ATOM 49 N N . GLU A 17 7 . -6.856 17.666 5.685 1.00 7.00 ? ? ? ? ? . 7 GLU A N 17 ATOM 50 C CA . GLU A 17 7 . -7.119 16.414 6.191 1.00 6.00 ? ? ? ? ? . 7 GLU A CA 17 ATOM 51 C C . GLU A 17 7 . -6.856 16.282 7.580 1.00 6.00 ? ? ? ? ? . 7 GLU A C 17 ATOM 52 O O . GLU A 17 7 . -7.581 15.689 8.402 1.00 8.00 ? ? ? ? ? . 7 GLU A O 17 ATOM 53 C CB . GLU A 17 7 . -6.592 15.623 5.685 1.00 6.00 ? ? ? ? ? . 7 GLU A CB 17 ATOM 54 C CG . GLU A 17 7 . -6.262 14.041 6.506 1.00 6.00 ? ? ? ? ? . 7 GLU A CG 17 ATOM 55 C CD . GLU A 17 7 . -5.339 13.184 5.685 1.00 6.00 ? ? ? ? ? . 7 GLU A CD 17 ATOM 56 O OE1 . GLU A 17 7 . -3.955 13.184 5.054 1.00 8.00 ? ? ? ? ? . 7 GLU A OE1 17 ATOM 57 O OE2 . GLU A 17 7 . -4.944 12.063 6.317 1.00 8.00 ? ? ? ? ? . 7 GLU A OE2 17 ATOM 58 N N . LEU A 17 8 . -6.196 16.941 8.212 1.00 7.00 ? ? ? ? ? . 8 LEU A N 17 ATOM 59 C CA . LEU A 17 8 . -5.735 17.534 9.475 1.00 6.00 ? ? ? ? ? . 8 LEU A CA 17 ATOM 60 C C . LEU A 17 8 . -6.724 17.996 10.107 1.00 6.00 ? ? ? ? ? . 8 LEU A C 17 ATOM 61 O O . LEU A 17 8 . -7.053 17.798 11.370 1.00 8.00 ? ? ? ? ? . 8 LEU A O 17 ATOM 62 C CB . LEU A 17 8 . -4.482 18.193 9.791 1.00 6.00 ? ? ? ? ? . 8 LEU A CB 17 ATOM 63 C CG . LEU A 17 8 . -4.417 18.457 10.739 1.00 6.00 ? ? ? ? ? . 8 LEU A CG 17 ATOM 64 C CD1 . LEU A 17 8 . -4.482 17.073 12.002 1.00 6.00 ? ? ? ? ? . 8 LEU A CD1 17 ATOM 65 C CD2 . LEU A 17 8 . -3.098 19.248 11.686 1.00 6.00 ? ? ? ? ? . 8 LEU A CD2 17 ATOM 66 N N . ALA A 17 9 . -7.581 19.116 9.160 1.00 7.00 ? ? ? ? ? . 9 ALA A N 17 ATOM 67 C CA . ALA A 17 9 . -8.372 19.907 9.665 1.00 6.00 ? ? ? ? ? . 9 ALA A CA 17 ATOM 68 C C . ALA A 17 9 . -9.229 19.182 10.107 1.00 6.00 ? ? ? ? ? . 9 ALA A C 17 ATOM 69 O O . ALA A 17 9 . -9.888 19.248 11.244 1.00 8.00 ? ? ? ? ? . 9 ALA A O 17 ATOM 70 C CB . ALA A 17 9 . -8.965 20.830 8.844 1.00 6.00 ? ? ? ? ? . 9 ALA A CB 17 ATOM 71 N N . ALA A 17 10 . -10.020 18.128 8.844 1.00 7.00 ? ? ? ? ? . 10 ALA A N 17 ATOM 72 C CA . ALA A 17 10 . -11.206 17.205 9.475 1.00 6.00 ? ? ? ? ? . 10 ALA A CA 17 ATOM 73 C C . ALA A 17 10 . -10.877 16.150 10.739 1.00 6.00 ? ? ? ? ? . 10 ALA A C 17 ATOM 74 O O . ALA A 17 10 . -11.536 16.150 11.686 1.00 8.00 ? ? ? ? ? . 10 ALA A O 17 ATOM 75 C CB . ALA A 17 10 . -11.536 15.952 8.212 1.00 6.00 ? ? ? ? ? . 10 ALA A CB 17 ATOM 76 N N . ALA A 17 11 . -10.217 15.820 10.739 1.00 7.00 ? ? ? ? ? . 11 ALA A N 17 ATOM 77 C CA . ALA A 17 11 . -9.426 14.963 11.749 1.00 6.00 ? ? ? ? ? . 11 ALA A CA 17 ATOM 78 C C . ALA A 17 11 . -9.756 15.557 13.266 1.00 6.00 ? ? ? ? ? . 11 ALA A C 17 ATOM 79 O O . ALA A 17 11 . -10.349 14.766 14.087 1.00 8.00 ? ? ? ? ? . 11 ALA A O 17 ATOM 80 C CB . ALA A 17 11 . -7.910 14.502 11.623 1.00 6.00 ? ? ? ? ? . 11 ALA A CB 17 ATOM 81 N N . MET A 17 12 . -9.229 16.677 13.266 1.00 7.00 ? ? ? ? ? . 12 MET A N 17 ATOM 82 C CA . MET A 17 12 . -9.295 17.534 14.529 1.00 6.00 ? ? ? ? ? . 12 MET A CA 17 ATOM 83 C C . MET A 17 12 . -10.547 18.062 14.908 1.00 6.00 ? ? ? ? ? . 12 MET A C 17 ATOM 84 O O . MET A 17 12 . -11.074 17.930 16.424 1.00 8.00 ? ? ? ? ? . 12 MET A O 17 ATOM 85 C CB . MET A 17 12 . -8.438 18.721 14.529 1.00 6.00 ? ? ? ? ? . 12 MET A CB 17 ATOM 86 C CG . MET A 17 12 . -6.921 18.457 14.529 1.00 6.00 ? ? ? ? ? . 12 MET A CG 17 ATOM 87 S SD . MET A 17 12 . -5.999 19.973 14.529 1.00 16.00 ? ? ? ? ? . 12 MET A SD 17 ATOM 88 C CE . MET A 17 12 . -6.081 20.438 16.246 1.00 6.00 ? ? ? ? ? . 12 MET A CE 17 ATOM 89 N N . LYS A 17 13 . -11.272 18.259 13.897 1.00 7.00 ? ? ? ? ? . 13 LYS A N 17 ATOM 90 C CA . LYS A 17 13 . -12.854 18.062 14.213 1.00 6.00 ? ? ? ? ? . 13 LYS A CA 17 ATOM 91 C C . LYS A 17 13 . -13.843 17.139 14.971 1.00 6.00 ? ? ? ? ? . 13 LYS A C 17 ATOM 92 O O . LYS A 17 13 . -14.370 17.271 16.298 1.00 8.00 ? ? ? ? ? . 13 LYS A O 17 ATOM 93 C CB . LYS A 17 13 . -13.184 18.787 12.634 1.00 6.00 ? ? ? ? ? . 13 LYS A CB 17 ATOM 94 C CG . LYS A 17 13 . -14.502 19.314 13.076 1.00 6.00 ? ? ? ? ? . 13 LYS A CG 17 ATOM 95 C CD . LYS A 17 13 . -15.293 19.775 12.002 1.00 6.00 ? ? ? ? ? . 13 LYS A CD 17 ATOM 96 C CE . LYS A 17 13 . -16.480 20.303 12.507 1.00 6.00 ? ? ? ? ? . 13 LYS A CE 17 ATOM 97 N NZ . LYS A 17 13 . -16.941 20.303 10.928 1.00 7.00 ? ? ? ? ? . 13 LYS A NZ 17 ATOM 98 N N . ARG A 17 14 . -13.645 16.018 13.897 1.00 7.00 ? ? ? ? ? . 14 ARG A N 17 ATOM 99 C CA . ARG A 17 14 . -13.645 14.502 14.213 1.00 6.00 ? ? ? ? ? . 14 ARG A CA 17 ATOM 100 C C . ARG A 17 14 . -13.447 14.370 15.792 1.00 6.00 ? ? ? ? ? . 14 ARG A C 17 ATOM 101 O O . ARG A 17 14 . -14.304 14.304 17.056 1.00 8.00 ? ? ? ? ? . 14 ARG A O 17 ATOM 102 C CB . ARG A 17 14 . -13.909 13.184 13.771 1.00 6.00 ? ? ? ? ? . 14 ARG A CB 17 ATOM 103 C CG . ARG A 17 14 . -13.711 12.722 12.634 1.00 6.00 ? ? ? ? ? . 14 ARG A CG 17 ATOM 104 C CD . ARG A 17 14 . -14.304 11.272 13.329 1.00 6.00 ? ? ? ? ? . 14 ARG A CD 17 ATOM 105 N NE . ARG A 17 14 . -12.986 10.679 13.771 1.00 7.00 ? ? ? ? ? . 14 ARG A NE 17 ATOM 106 C CZ . ARG A 17 14 . -12.986 9.888 14.845 1.00 6.00 ? ? ? ? ? . 14 ARG A CZ 17 ATOM 107 N NH1 . ARG A 17 14 . -14.172 9.954 15.603 1.00 7.00 ? ? ? ? ? . 14 ARG A NH1 17 ATOM 108 N NH2 . ARG A 17 14 . -11.997 9.097 15.287 1.00 7.00 ? ? ? ? ? . 14 ARG A NH2 17 ATOM 109 N N . HIS A 17 15 . -12.525 14.832 16.424 1.00 7.00 ? ? ? ? ? . 15 HIS A N 17 ATOM 110 C CA . HIS A 17 15 . -11.865 14.898 17.814 1.00 6.00 ? ? ? ? ? . 15 HIS A CA 17 ATOM 111 C C . HIS A 17 15 . -12.261 15.952 18.951 1.00 6.00 ? ? ? ? ? . 15 HIS A C 17 ATOM 112 O O . HIS A 17 15 . -11.997 16.084 19.835 1.00 8.00 ? ? ? ? ? . 15 HIS A O 17 ATOM 113 C CB . HIS A 17 15 . -10.415 14.634 17.687 1.00 6.00 ? ? ? ? ? . 15 HIS A CB 17 ATOM 114 C CG . HIS A 17 15 . -10.020 13.381 17.498 1.00 6.00 ? ? ? ? ? . 15 HIS A CG 17 ATOM 115 N ND1 . HIS A 17 15 . -9.756 12.986 16.234 1.00 7.00 ? ? ? ? ? . 15 HIS A ND1 17 ATOM 116 C CD2 . HIS A 17 15 . -9.756 12.261 18.319 1.00 6.00 ? ? ? ? ? . 15 HIS A CD2 17 ATOM 117 C CE1 . HIS A 17 15 . -9.426 11.733 16.234 1.00 6.00 ? ? ? ? ? . 15 HIS A CE1 17 ATOM 118 N NE2 . HIS A 17 15 . -9.229 11.206 17.498 1.00 7.00 ? ? ? ? ? . 15 HIS A NE2 17 ATOM 119 N N . GLY A 17 16 . -13.381 16.809 18.761 1.00 7.00 ? ? ? ? ? . 16 GLY A N 17 ATOM 120 C CA . GLY A 17 16 . -13.645 17.996 19.772 1.00 6.00 ? ? ? ? ? . 16 GLY A CA 17 ATOM 121 C C . GLY A 17 16 . -12.788 19.446 19.582 1.00 6.00 ? ? ? ? ? . 16 GLY A C 17 ATOM 122 O O . GLY A 17 16 . -13.184 20.105 20.340 1.00 8.00 ? ? ? ? ? . 16 GLY A O 17 ATOM 123 N N . LEU A 17 17 . -11.865 19.512 18.824 1.00 7.00 ? ? ? ? ? . 17 LEU A N 17 ATOM 124 C CA . LEU A 17 17 . -10.877 20.764 18.635 1.00 6.00 ? ? ? ? ? . 17 LEU A CA 17 ATOM 125 C C . LEU A 17 17 . -11.865 21.885 18.382 1.00 6.00 ? ? ? ? ? . 17 LEU A C 17 ATOM 126 O O . LEU A 17 17 . -11.074 23.071 18.509 1.00 8.00 ? ? ? ? ? . 17 LEU A O 17 ATOM 127 C CB . LEU A 17 17 . -9.888 20.566 18.130 1.00 6.00 ? ? ? ? ? . 17 LEU A CB 17 ATOM 128 C CG . LEU A 17 17 . -8.833 19.775 18.635 1.00 6.00 ? ? ? ? ? . 17 LEU A CG 17 ATOM 129 C CD1 . LEU A 17 17 . -7.449 19.644 18.193 1.00 6.00 ? ? ? ? ? . 17 LEU A CD1 17 ATOM 130 C CD2 . LEU A 17 17 . -8.569 20.435 20.151 1.00 6.00 ? ? ? ? ? . 17 LEU A CD2 17 ATOM 131 N N . ASP A 17 18 . -12.854 21.885 17.435 1.00 7.00 ? ? ? ? ? . 18 ASP A N 17 ATOM 132 C CA . ASP A 17 18 . -13.184 23.071 16.866 1.00 6.00 ? ? ? ? ? . 18 ASP A CA 17 ATOM 133 C C . ASP A 17 18 . -13.975 23.862 17.877 1.00 6.00 ? ? ? ? ? . 18 ASP A C 17 ATOM 134 O O . ASP A 17 18 . -14.304 23.335 18.951 1.00 8.00 ? ? ? ? ? . 18 ASP A O 17 ATOM 135 C CB . ASP A 17 18 . -14.172 22.874 15.792 1.00 6.00 ? ? ? ? ? . 18 ASP A CB 17 ATOM 136 C CG . ASP A 17 18 . -14.502 23.731 15.161 1.00 6.00 ? ? ? ? ? . 18 ASP A CG 17 ATOM 137 O OD1 . ASP A 17 18 . -14.416 24.929 15.012 1.00 8.00 ? ? ? ? ? . 18 ASP A OD1 17 ATOM 138 O OD2 . ASP A 17 18 . -15.437 23.446 13.950 1.00 8.00 ? ? ? ? ? . 18 ASP A OD2 17 ATOM 139 N N . ASN A 17 19 . -13.843 25.181 18.130 1.00 7.00 ? ? ? ? ? . 19 ASN A N 17 ATOM 140 C CA . ASN A 17 19 . -14.172 25.708 19.330 1.00 6.00 ? ? ? ? ? . 19 ASN A CA 17 ATOM 141 C C . ASN A 17 19 . -13.579 25.313 20.593 1.00 6.00 ? ? ? ? ? . 19 ASN A C 17 ATOM 142 O O . ASN A 17 19 . -14.370 25.972 21.162 1.00 8.00 ? ? ? ? ? . 19 ASN A O 17 ATOM 143 C CB . ASN A 17 19 . -15.623 26.104 18.951 1.00 6.00 ? ? ? ? ? . 19 ASN A CB 17 ATOM 144 C CG . ASN A 17 19 . -15.491 27.290 17.687 1.00 6.00 ? ? ? ? ? . 19 ASN A CG 17 ATOM 145 O OD1 . ASN A 17 19 . -14.963 28.477 17.687 1.00 7.00 ? ? ? ? ? . 19 ASN A OD1 17 ATOM 146 N ND2 . ASN A 17 19 . -15.952 26.631 16.803 1.00 7.00 ? ? ? ? ? . 19 ASN A ND2 17 ATOM 147 N N . TYR A 17 20 . -12.788 24.522 20.720 1.00 7.00 ? ? ? ? ? . 20 TYR A N 17 ATOM 148 C CA . TYR A 17 20 . -12.656 24.258 21.857 1.00 6.00 ? ? ? ? ? . 20 TYR A CA 17 ATOM 149 C C . TYR A 17 20 . -11.931 25.049 22.741 1.00 6.00 ? ? ? ? ? . 20 TYR A C 17 ATOM 150 O O . TYR A 17 20 . -11.074 26.104 22.488 1.00 8.00 ? ? ? ? ? . 20 TYR A O 17 ATOM 151 C CB . TYR A 17 20 . -11.536 22.940 21.730 1.00 6.00 ? ? ? ? ? . 20 TYR A CB 17 ATOM 152 C CG . TYR A 17 20 . -11.602 22.412 23.057 1.00 6.00 ? ? ? ? ? . 20 TYR A CG 17 ATOM 153 C CD1 . TYR A 17 20 . -12.656 21.951 23.562 1.00 6.00 ? ? ? ? ? . 20 TYR A CD1 17 ATOM 154 C CD2 . TYR A 17 20 . -10.086 22.676 24.131 1.00 6.00 ? ? ? ? ? . 20 TYR A CD2 17 ATOM 155 C CE1 . TYR A 17 20 . -12.656 20.962 24.889 1.00 6.00 ? ? ? ? ? . 20 TYR A CE1 17 ATOM 156 C CE2 . TYR A 17 20 . -10.086 22.149 25.520 1.00 6.00 ? ? ? ? ? . 20 TYR A CE2 17 ATOM 157 C CZ . TYR A 17 20 . -11.074 21.226 25.899 1.00 6.00 ? ? ? ? ? . 20 TYR A CZ 17 ATOM 158 O OH . TYR A 17 20 . -10.811 20.698 27.352 1.00 8.00 ? ? ? ? ? . 20 TYR A OH 17 ATOM 159 N N . ARG A 17 21 . -12.393 25.181 23.688 1.00 7.00 ? ? ? ? ? . 21 ARG A N 17 ATOM 160 C CA . ARG A 17 21 . -12.195 26.697 24.762 1.00 6.00 ? ? ? ? ? . 21 ARG A CA 17 ATOM 161 C C . ARG A 17 21 . -12.393 27.818 23.941 1.00 6.00 ? ? ? ? ? . 21 ARG A C 17 ATOM 162 O O . ARG A 17 21 . -11.733 28.872 24.004 1.00 8.00 ? ? ? ? ? . 21 ARG A O 17 ATOM 163 C CB . ARG A 17 21 . -10.547 26.697 25.457 1.00 6.00 ? ? ? ? ? . 21 ARG A CB 17 ATOM 164 C CG . ARG A 17 21 . -10.679 26.038 26.531 1.00 6.00 ? ? ? ? ? . 21 ARG A CG 17 ATOM 165 C CD . ARG A 17 21 . -11.668 26.697 27.731 1.00 6.00 ? ? ? ? ? . 21 ARG A CD 17 ATOM 166 N NE . ARG A 17 21 . -11.008 25.708 28.932 1.00 7.00 ? ? ? ? ? . 21 ARG A NE 17 ATOM 167 C CZ . ARG A 17 21 . -10.877 26.367 30.005 1.00 6.00 ? ? ? ? ? . 21 ARG A CZ 17 ATOM 168 N NH1 . ARG A 17 21 . -10.217 28.015 29.816 1.00 7.00 ? ? ? ? ? . 21 ARG A NH1 17 ATOM 169 N NH2 . ARG A 17 21 . -10.679 25.972 31.079 1.00 7.00 ? ? ? ? ? . 21 ARG A NH2 17 ATOM 170 N N . GLY A 17 22 . -13.316 28.015 22.867 1.00 7.00 ? ? ? ? ? . 22 GLY A N 17 ATOM 171 C CA . GLY A 17 22 . -13.513 29.136 22.109 1.00 6.00 ? ? ? ? ? . 22 GLY A CA 17 ATOM 172 C C . GLY A 17 22 . -12.195 29.663 21.162 1.00 6.00 ? ? ? ? ? . 22 GLY A C 17 ATOM 173 O O . GLY A 17 22 . -12.063 30.586 20.467 1.00 8.00 ? ? ? ? ? . 22 GLY A O 17 ATOM 174 N N . TYR A 17 23 . -11.404 28.345 20.846 1.00 7.00 ? ? ? ? ? . 23 TYR A N 17 ATOM 175 C CA . TYR A 17 23 . -10.086 28.609 19.646 1.00 6.00 ? ? ? ? ? . 23 TYR A CA 17 ATOM 176 C C . TYR A 17 23 . -11.206 28.015 18.572 1.00 6.00 ? ? ? ? ? . 23 TYR A C 17 ATOM 177 O O . TYR A 17 23 . -11.140 26.499 18.509 1.00 8.00 ? ? ? ? ? . 23 TYR A O 17 ATOM 178 C CB . TYR A 17 23 . -8.965 28.147 20.214 1.00 6.00 ? ? ? ? ? . 23 TYR A CB 17 ATOM 179 C CG . TYR A 17 23 . -8.438 28.674 21.162 1.00 6.00 ? ? ? ? ? . 23 TYR A CG 17 ATOM 180 C CD1 . TYR A 17 23 . -7.712 29.993 20.846 1.00 6.00 ? ? ? ? ? . 23 TYR A CD1 17 ATOM 181 C CD2 . TYR A 17 23 . -8.240 28.477 22.488 1.00 6.00 ? ? ? ? ? . 23 TYR A CD2 17 ATOM 182 C CE1 . TYR A 17 23 . -7.383 30.652 21.730 1.00 6.00 ? ? ? ? ? . 23 TYR A CE1 17 ATOM 183 C CE2 . TYR A 17 23 . -7.778 29.400 23.373 1.00 6.00 ? ? ? ? ? . 23 TYR A CE2 17 ATOM 184 C CZ . TYR A 17 23 . -7.119 30.586 22.994 1.00 6.00 ? ? ? ? ? . 23 TYR A CZ 17 ATOM 185 O OH . TYR A 17 23 . -6.460 31.377 24.004 1.00 8.00 ? ? ? ? ? . 23 TYR A OH 17 ATOM 186 N N . SER A 17 24 . -11.206 28.674 17.182 1.00 7.00 ? ? ? ? ? . 24 SER A N 17 ATOM 187 C CA . SER A 17 24 . -11.338 28.147 16.171 1.00 6.00 ? ? ? ? ? . 24 SER A CA 17 ATOM 188 C C . SER A 17 24 . -10.877 27.158 15.161 1.00 6.00 ? ? ? ? ? . 24 SER A C 17 ATOM 189 O O . SER A 17 24 . -9.492 27.422 15.666 1.00 8.00 ? ? ? ? ? . 24 SER A O 17 ATOM 190 C CB . SER A 17 24 . -11.074 29.400 15.034 1.00 6.00 ? ? ? ? ? . 24 SER A CB 17 ATOM 191 O OG . SER A 17 24 . -11.008 28.674 13.771 1.00 8.00 ? ? ? ? ? . 24 SER A OG 17 ATOM 192 N N . LEU A 17 25 . -11.602 26.170 14.529 1.00 7.00 ? ? ? ? ? . 25 LEU A N 17 ATOM 193 C CA . LEU A 17 25 . -10.547 25.379 13.897 1.00 6.00 ? ? ? ? ? . 25 LEU A CA 17 ATOM 194 C C . LEU A 17 25 . -9.295 25.576 13.266 1.00 6.00 ? ? ? ? ? . 25 LEU A C 17 ATOM 195 O O . LEU A 17 25 . -8.108 24.851 13.266 1.00 8.00 ? ? ? ? ? . 25 LEU A O 17 ATOM 196 C CB . LEU A 17 25 . -11.206 24.456 13.266 1.00 6.00 ? ? ? ? ? . 25 LEU A CB 17 ATOM 197 C CG . LEU A 17 25 . -11.074 23.137 13.266 1.00 6.00 ? ? ? ? ? . 25 LEU A CG 17 ATOM 198 C CD1 . LEU A 17 25 . -11.733 22.412 11.876 1.00 6.00 ? ? ? ? ? . 25 LEU A CD1 17 ATOM 199 C CD2 . LEU A 17 25 . -9.888 22.478 12.255 1.00 6.00 ? ? ? ? ? . 25 LEU A CD2 17 ATOM 200 N N . GLY A 17 26 . -8.965 26.433 12.760 1.00 7.00 ? ? ? ? ? . 26 GLY A N 17 ATOM 201 C CA . GLY A 17 26 . -8.174 27.224 12.002 1.00 6.00 ? ? ? ? ? . 26 GLY A CA 17 ATOM 202 C C . GLY A 17 26 . -7.119 27.488 12.634 1.00 6.00 ? ? ? ? ? . 26 GLY A C 17 ATOM 203 O O . GLY A 17 26 . -5.867 27.488 12.634 1.00 8.00 ? ? ? ? ? . 26 GLY A O 17 ATOM 204 N N . ASN A 17 27 . -7.053 27.686 14.024 1.00 7.00 ? ? ? ? ? . 27 ASN A N 17 ATOM 205 C CA . ASN A 17 27 . -6.262 28.279 15.161 1.00 6.00 ? ? ? ? ? . 27 ASN A CA 17 ATOM 206 C C . ASN A 17 27 . -5.273 27.026 15.224 1.00 6.00 ? ? ? ? ? . 27 ASN A C 17 ATOM 207 O O . ASN A 17 27 . -3.955 27.554 15.161 1.00 8.00 ? ? ? ? ? . 27 ASN A O 17 ATOM 208 C CB . ASN A 17 27 . -6.592 28.543 16.424 1.00 6.00 ? ? ? ? ? . 27 ASN A CB 17 ATOM 209 C CG . ASN A 17 27 . -6.790 30.059 16.424 1.00 6.00 ? ? ? ? ? . 27 ASN A CG 17 ATOM 210 O OD1 . ASN A 17 27 . -6.460 31.113 16.614 1.00 7.00 ? ? ? ? ? . 27 ASN A OD1 17 ATOM 211 N ND2 . ASN A 17 27 . -8.569 30.784 16.298 1.00 7.00 ? ? ? ? ? . 27 ASN A ND2 17 ATOM 212 N N . TRP A 17 28 . -5.933 25.840 15.287 1.00 7.00 ? ? ? ? ? . 28 TRP A N 17 ATOM 213 C CA . TRP A 17 28 . -5.603 24.588 15.540 1.00 6.00 ? ? ? ? ? . 28 TRP A CA 17 ATOM 214 C C . TRP A 17 28 . -4.746 23.862 14.403 1.00 6.00 ? ? ? ? ? . 28 TRP A C 17 ATOM 215 O O . TRP A 17 28 . -3.823 23.203 14.403 1.00 8.00 ? ? ? ? ? . 28 TRP A O 17 ATOM 216 C CB . TRP A 17 28 . -6.658 23.533 15.792 1.00 6.00 ? ? ? ? ? . 28 TRP A CB 17 ATOM 217 C CG . TRP A 17 28 . -7.449 23.928 17.182 1.00 6.00 ? ? ? ? ? . 28 TRP A CG 17 ATOM 218 C CD1 . TRP A 17 28 . -8.504 24.588 17.308 1.00 6.00 ? ? ? ? ? . 28 TRP A CD1 17 ATOM 219 C CD2 . TRP A 17 28 . -6.856 23.599 18.572 1.00 6.00 ? ? ? ? ? . 28 TRP A CD2 17 ATOM 220 N NE1 . TRP A 17 28 . -8.701 24.456 18.698 1.00 7.00 ? ? ? ? ? . 28 TRP A NE1 17 ATOM 221 C CE2 . TRP A 17 28 . -7.910 24.060 19.456 1.00 6.00 ? ? ? ? ? . 28 TRP A CE2 17 ATOM 222 C CE3 . TRP A 17 28 . -5.801 23.137 18.951 1.00 6.00 ? ? ? ? ? . 28 TRP A CE3 17 ATOM 223 C CZ2 . TRP A 17 28 . -7.712 24.192 20.846 1.00 6.00 ? ? ? ? ? . 28 TRP A CZ2 17 ATOM 224 C CZ3 . TRP A 17 28 . -5.471 23.269 20.404 1.00 6.00 ? ? ? ? ? . 28 TRP A CZ3 17 ATOM 225 C CH2 . TRP A 17 28 . -6.526 23.533 21.288 1.00 6.00 ? ? ? ? ? . 28 TRP A CH2 17 ATOM 226 N N . VAL A 17 29 . -5.076 24.192 13.266 1.00 7.00 ? ? ? ? ? . 29 VAL A N 17 ATOM 227 C CA . VAL A 17 29 . -4.614 23.731 11.876 1.00 6.00 ? ? ? ? ? . 29 VAL A CA 17 ATOM 228 C C . VAL A 17 29 . -3.362 24.588 11.560 1.00 6.00 ? ? ? ? ? . 29 VAL A C 17 ATOM 229 O O . VAL A 17 29 . -2.241 24.258 11.244 1.00 8.00 ? ? ? ? ? . 29 VAL A O 17 ATOM 230 C CB . VAL A 17 29 . -5.801 23.731 10.802 1.00 6.00 ? ? ? ? ? . 29 VAL A CB 17 ATOM 231 C CG1 . VAL A 17 29 . -4.944 23.599 9.665 1.00 6.00 ? ? ? ? ? . 29 VAL A CG1 17 ATOM 232 C CG2 . VAL A 17 29 . -6.724 22.676 11.244 1.00 6.00 ? ? ? ? ? . 29 VAL A CG2 17 ATOM 233 N N . CYS A 17 30 . -3.362 25.840 11.686 1.00 7.00 ? ? ? ? ? . 30 CYS A N 17 ATOM 234 C CA . CYS A 17 30 . -2.109 26.697 11.560 1.00 6.00 ? ? ? ? ? . 30 CYS A CA 17 ATOM 235 C C . CYS A 17 30 . -1.318 26.631 12.571 1.00 6.00 ? ? ? ? ? . 30 CYS A C 17 ATOM 236 O O . CYS A 17 30 . 0.000 26.367 12.507 1.00 8.00 ? ? ? ? ? . 30 CYS A O 17 ATOM 237 C CB . CYS A 17 30 . -2.703 28.345 11.497 1.00 6.00 ? ? ? ? ? . 30 CYS A CB 17 ATOM 238 S SG . CYS A 17 30 . -1.450 29.465 11.560 1.00 16.00 ? ? ? ? ? . 30 CYS A SG 17 ATOM 239 N N . ALA A 17 31 . -1.318 26.104 13.645 1.00 7.00 ? ? ? ? ? . 31 ALA A N 17 ATOM 240 C CA . ALA A 17 31 . -0.791 25.840 14.718 1.00 6.00 ? ? ? ? ? . 31 ALA A CA 17 ATOM 241 C C . ALA A 17 31 . 0.198 24.588 14.655 1.00 6.00 ? ? ? ? ? . 31 ALA A C 17 ATOM 242 O O . ALA A 17 31 . 1.318 24.851 14.971 1.00 8.00 ? ? ? ? ? . 31 ALA A O 17 ATOM 243 C CB . ALA A 17 31 . -1.187 25.708 16.677 1.00 6.00 ? ? ? ? ? . 31 ALA A CB 17 ATOM 244 N N . ALA A 17 32 . -0.198 23.665 14.087 1.00 7.00 ? ? ? ? ? . 32 ALA A N 17 ATOM 245 C CA . ALA A 17 32 . -0.198 22.478 14.592 1.00 6.00 ? ? ? ? ? . 32 ALA A CA 17 ATOM 246 C C . ALA A 17 32 . 0.989 22.742 12.634 1.00 6.00 ? ? ? ? ? . 32 ALA A C 17 ATOM 247 O O . ALA A 17 32 . 2.043 21.819 12.381 1.00 8.00 ? ? ? ? ? . 32 ALA A O 17 ATOM 248 C CB . ALA A 17 32 . -0.725 21.160 13.897 1.00 6.00 ? ? ? ? ? . 32 ALA A CB 17 ATOM 249 N N . LYS A 17 33 . 0.659 23.599 11.876 1.00 7.00 ? ? ? ? ? . 33 LYS A N 17 ATOM 250 C CA . LYS A 17 33 . 1.384 23.467 10.612 1.00 6.00 ? ? ? ? ? . 33 LYS A CA 17 ATOM 251 C C . LYS A 17 33 . 2.834 23.862 10.865 1.00 6.00 ? ? ? ? ? . 33 LYS A C 17 ATOM 252 O O . LYS A 17 33 . 3.955 23.599 10.612 1.00 8.00 ? ? ? ? ? . 33 LYS A O 17 ATOM 253 C CB . LYS A 17 33 . 0.791 24.653 9.854 1.00 6.00 ? ? ? ? ? . 33 LYS A CB 17 ATOM 254 C CG . LYS A 17 33 . 1.912 25.049 8.781 1.00 6.00 ? ? ? ? ? . 33 LYS A CG 17 ATOM 255 C CD . LYS A 17 33 . 1.846 24.653 7.454 1.00 6.00 ? ? ? ? ? . 33 LYS A CD 17 ATOM 256 C CE . LYS A 17 33 . 2.900 24.917 6.506 1.00 6.00 ? ? ? ? ? . 33 LYS A CE 17 ATOM 257 N NZ . LYS A 17 33 . 3.098 24.522 5.306 1.00 7.00 ? ? ? ? ? . 33 LYS A NZ 17 ATOM 258 N N . PHE A 17 34 . 2.966 25.379 11.370 1.00 7.00 ? ? ? ? ? . 34 PHE A N 17 ATOM 259 C CA . PHE A 17 34 . 3.955 25.906 11.749 1.00 6.00 ? ? ? ? ? . 34 PHE A CA 17 ATOM 260 C C . PHE A 17 34 . 4.614 25.247 12.887 1.00 6.00 ? ? ? ? ? . 34 PHE A C 17 ATOM 261 O O . PHE A 17 34 . 5.801 25.379 12.887 1.00 8.00 ? ? ? ? ? . 34 PHE A O 17 ATOM 262 C CB . PHE A 17 34 . 3.494 27.356 12.002 1.00 6.00 ? ? ? ? ? . 34 PHE A CB 17 ATOM 263 C CG . PHE A 17 34 . 3.362 27.949 10.612 1.00 6.00 ? ? ? ? ? . 34 PHE A CG 17 ATOM 264 C CD1 . PHE A 17 34 . 2.241 29.004 10.297 1.00 6.00 ? ? ? ? ? . 34 PHE A CD1 17 ATOM 265 C CD2 . PHE A 17 34 . 4.614 27.949 9.728 1.00 6.00 ? ? ? ? ? . 34 PHE A CD2 17 ATOM 266 C CE1 . PHE A 17 34 . 1.978 29.663 9.160 1.00 6.00 ? ? ? ? ? . 34 PHE A CE1 17 ATOM 267 C CE2 . PHE A 17 34 . 4.417 28.674 8.402 1.00 6.00 ? ? ? ? ? . 34 PHE A CE2 17 ATOM 268 C CZ . PHE A 17 34 . 3.164 29.400 8.212 1.00 6.00 ? ? ? ? ? . 34 PHE A CZ 17 ATOM 269 N N . GLU A 17 35 . 3.889 24.653 13.771 1.00 7.00 ? ? ? ? ? . 35 GLU A N 17 ATOM 270 C CA . GLU A 17 35 . 4.680 23.796 14.971 1.00 6.00 ? ? ? ? ? . 35 GLU A CA 17 ATOM 271 C C . GLU A 17 35 . 5.273 22.412 14.529 1.00 6.00 ? ? ? ? ? . 35 GLU A C 17 ATOM 272 O O . GLU A 17 35 . 6.526 22.149 14.845 1.00 8.00 ? ? ? ? ? . 35 GLU A O 17 ATOM 273 C CB . GLU A 17 35 . 4.087 23.599 15.982 1.00 6.00 ? ? ? ? ? . 35 GLU A CB 17 ATOM 274 C CG . GLU A 17 35 . 3.757 23.665 17.308 1.00 6.00 ? ? ? ? ? . 35 GLU A CG 17 ATOM 275 C CD . GLU A 17 35 . 4.680 24.522 17.940 1.00 6.00 ? ? ? ? ? . 35 GLU A CD 17 ATOM 276 O OE1 . GLU A 17 35 . 5.603 24.588 17.687 1.00 8.00 ? ? ? ? ? . 35 GLU A OE1 17 ATOM 277 O OE2 . GLU A 17 35 . 4.153 25.642 18.509 1.00 8.00 ? ? ? ? ? . 35 GLU A OE2 17 ATOM 278 N N . SER A 17 36 . 4.680 21.687 13.834 1.00 7.00 ? ? ? ? ? . 36 SER A N 17 ATOM 279 C CA . SER A 17 36 . 4.878 20.435 13.455 1.00 6.00 ? ? ? ? ? . 36 SER A CA 17 ATOM 280 C C . SER A 17 36 . 5.142 20.039 11.876 1.00 6.00 ? ? ? ? ? . 36 SER A C 17 ATOM 281 O O . SER A 17 36 . 5.669 18.919 11.370 1.00 8.00 ? ? ? ? ? . 36 SER A O 17 ATOM 282 C CB . SER A 17 36 . 4.285 19.446 14.024 1.00 6.00 ? ? ? ? ? . 36 SER A CB 17 ATOM 283 O OG . SER A 17 36 . 2.966 19.116 13.266 1.00 8.00 ? ? ? ? ? . 36 SER A OG 17 ATOM 284 N N . ASN A 17 37 . 4.614 20.896 11.118 1.00 7.00 ? ? ? ? ? . 37 ASN A N 17 ATOM 285 C CA . ASN A 17 37 . 4.680 20.632 9.665 1.00 6.00 ? ? ? ? ? . 37 ASN A CA 17 ATOM 286 C C . ASN A 17 37 . 3.691 19.380 9.096 1.00 6.00 ? ? ? ? ? . 37 ASN A C 17 ATOM 287 O O . ASN A 17 37 . 3.691 19.380 7.959 1.00 8.00 ? ? ? ? ? . 37 ASN A O 17 ATOM 288 C CB . ASN A 17 37 . 5.735 20.896 9.033 1.00 6.00 ? ? ? ? ? . 37 ASN A CB 17 ATOM 289 C CG . ASN A 17 37 . 5.867 21.687 7.707 1.00 6.00 ? ? ? ? ? . 37 ASN A CG 17 ATOM 290 O OD1 . ASN A 17 37 . 5.273 22.478 7.391 1.00 7.00 ? ? ? ? ? . 37 ASN A OD1 17 ATOM 291 N ND2 . ASN A 17 37 . 6.790 21.358 7.075 1.00 7.00 ? ? ? ? ? . 37 ASN A ND2 17 ATOM 292 N N . PHE A 17 38 . 2.637 18.984 9.854 1.00 7.00 ? ? ? ? ? . 38 PHE A N 17 ATOM 293 C CA . PHE A 17 38 . 1.780 18.062 9.475 1.00 6.00 ? ? ? ? ? . 38 PHE A CA 17 ATOM 294 C C . PHE A 17 38 . 1.978 16.743 9.602 1.00 6.00 ? ? ? ? ? . 38 PHE A C 17 ATOM 295 O O . PHE A 17 38 . 1.318 15.952 9.602 1.00 8.00 ? ? ? ? ? . 38 PHE A O 17 ATOM 296 C CB . PHE A 17 38 . 0.791 18.457 7.959 1.00 6.00 ? ? ? ? ? . 38 PHE A CB 17 ATOM 297 C CG . PHE A 17 38 . 0.132 19.644 7.959 1.00 6.00 ? ? ? ? ? . 38 PHE A CG 17 ATOM 298 C CD1 . PHE A 17 38 . 0.000 20.303 9.160 1.00 6.00 ? ? ? ? ? . 38 PHE A CD1 17 ATOM 299 C CD2 . PHE A 17 38 . 0.000 20.303 6.759 1.00 6.00 ? ? ? ? ? . 38 PHE A CD2 17 ATOM 300 C CE1 . PHE A 17 38 . -0.989 21.687 9.096 1.00 6.00 ? ? ? ? ? . 38 PHE A CE1 17 ATOM 301 C CE2 . PHE A 17 38 . -0.989 21.687 6.696 1.00 6.00 ? ? ? ? ? . 38 PHE A CE2 17 ATOM 302 C CZ . PHE A 17 38 . -1.187 22.017 7.833 1.00 6.00 ? ? ? ? ? . 38 PHE A CZ 17 ATOM 303 N N . ASN A 17 39 . 3.296 16.941 10.107 1.00 7.00 ? ? ? ? ? . 39 ASN A N 17 ATOM 304 C CA . ASN A 17 39 . 4.021 15.754 10.676 1.00 6.00 ? ? ? ? ? . 39 ASN A CA 17 ATOM 305 C C . ASN A 17 39 . 4.153 15.557 12.192 1.00 6.00 ? ? ? ? ? . 39 ASN A C 17 ATOM 306 O O . ASN A 17 39 . 4.680 16.150 13.076 1.00 8.00 ? ? ? ? ? . 39 ASN A O 17 ATOM 307 C CB . ASN A 17 39 . 5.801 15.820 10.423 1.00 6.00 ? ? ? ? ? . 39 ASN A CB 17 ATOM 308 C CG . ASN A 17 39 . 6.460 14.634 10.360 1.00 6.00 ? ? ? ? ? . 39 ASN A CG 17 ATOM 309 O OD1 . ASN A 17 39 . 5.933 13.316 10.739 1.00 7.00 ? ? ? ? ? . 39 ASN A OD1 17 ATOM 310 N ND2 . ASN A 17 39 . 7.581 14.634 9.981 1.00 7.00 ? ? ? ? ? . 39 ASN A ND2 17 ATOM 311 N N . THR A 17 40 . 3.230 14.502 12.318 1.00 7.00 ? ? ? ? ? . 40 THR A N 17 ATOM 312 C CA . THR A 17 40 . 2.966 13.843 13.771 1.00 6.00 ? ? ? ? ? . 40 THR A CA 17 ATOM 313 C C . THR A 17 40 . 4.482 12.986 14.529 1.00 6.00 ? ? ? ? ? . 40 THR A C 17 ATOM 314 O O . THR A 17 40 . 4.285 12.854 15.476 1.00 8.00 ? ? ? ? ? . 40 THR A O 17 ATOM 315 C CB . THR A 17 40 . 1.978 12.722 13.645 1.00 6.00 ? ? ? ? ? . 40 THR A CB 17 ATOM 316 O OG1 . THR A 17 40 . 2.373 11.799 12.571 1.00 8.00 ? ? ? ? ? . 40 THR A OG1 17 ATOM 317 C CG2 . THR A 17 40 . 0.725 12.986 13.392 1.00 6.00 ? ? ? ? ? . 40 THR A CG2 17 ATOM 318 N N . GLN A 17 41 . 5.142 12.854 13.834 1.00 7.00 ? ? ? ? ? . 41 GLN A N 17 ATOM 319 C CA . GLN A 17 41 . 6.724 12.063 14.339 1.00 6.00 ? ? ? ? ? . 41 GLN A CA 17 ATOM 320 C C . GLN A 17 41 . 7.581 12.788 14.782 1.00 6.00 ? ? ? ? ? . 41 GLN A C 17 ATOM 321 O O . GLN A 17 41 . 8.438 13.052 15.666 1.00 8.00 ? ? ? ? ? . 41 GLN A O 17 ATOM 322 C CB . GLN A 17 41 . 7.251 11.206 13.202 1.00 6.00 ? ? ? ? ? . 41 GLN A CB 17 ATOM 323 C CG . GLN A 17 41 . 6.724 9.822 12.950 1.00 6.00 ? ? ? ? ? . 41 GLN A CG 17 ATOM 324 C CD . GLN A 17 41 . 7.581 8.965 12.128 1.00 6.00 ? ? ? ? ? . 41 GLN A CD 17 ATOM 325 O OE1 . GLN A 17 41 . 7.581 8.965 11.055 1.00 7.00 ? ? ? ? ? . 41 GLN A OE1 17 ATOM 326 N NE2 . GLN A 17 41 . 8.438 8.240 12.760 1.00 7.00 ? ? ? ? ? . 41 GLN A NE2 17 ATOM 327 N N . ALA A 17 42 . 7.581 14.304 14.213 1.00 7.00 ? ? ? ? ? . 42 ALA A N 17 ATOM 328 C CA . ALA A 17 42 . 8.569 15.293 14.339 1.00 6.00 ? ? ? ? ? . 42 ALA A CA 17 ATOM 329 C C . ALA A 17 42 . 8.767 15.425 15.919 1.00 6.00 ? ? ? ? ? . 42 ALA A C 17 ATOM 330 O O . ALA A 17 42 . 8.042 15.029 16.740 1.00 8.00 ? ? ? ? ? . 42 ALA A O 17 ATOM 331 C CB . ALA A 17 42 . 7.910 16.545 13.771 1.00 6.00 ? ? ? ? ? . 42 ALA A CB 17 ATOM 332 N N . THR A 17 43 . 10.151 15.491 16.298 1.00 7.00 ? ? ? ? ? . 43 THR A N 17 ATOM 333 C CA . THR A 17 43 . 10.481 15.623 17.751 1.00 6.00 ? ? ? ? ? . 43 THR A CA 17 ATOM 334 C C . THR A 17 43 . 11.536 16.941 17.687 1.00 6.00 ? ? ? ? ? . 43 THR A C 17 ATOM 335 O O . THR A 17 43 . 12.063 17.139 16.993 1.00 8.00 ? ? ? ? ? . 43 THR A O 17 ATOM 336 C CB . THR A 17 43 . 11.206 14.370 17.814 1.00 6.00 ? ? ? ? ? . 43 THR A CB 17 ATOM 337 O OG1 . THR A 17 43 . 12.590 14.238 16.803 1.00 8.00 ? ? ? ? ? . 43 THR A OG1 17 ATOM 338 C CG2 . THR A 17 43 . 10.415 12.986 17.561 1.00 6.00 ? ? ? ? ? . 43 THR A CG2 17 ATOM 339 N N . ASN A 17 44 . 11.733 17.666 18.951 1.00 7.00 ? ? ? ? ? . 44 ASN A N 17 ATOM 340 C CA . ASN A 17 44 . 12.195 18.787 19.077 1.00 6.00 ? ? ? ? ? . 44 ASN A CA 17 ATOM 341 C C . ASN A 17 44 . 12.854 18.984 20.530 1.00 6.00 ? ? ? ? ? . 44 ASN A C 17 ATOM 342 O O . ASN A 17 44 . 12.393 19.116 21.035 1.00 8.00 ? ? ? ? ? . 44 ASN A O 17 ATOM 343 C CB . ASN A 17 44 . 11.931 20.303 18.572 1.00 6.00 ? ? ? ? ? . 44 ASN A CB 17 ATOM 344 C CG . ASN A 17 44 . 12.195 20.105 17.056 1.00 6.00 ? ? ? ? ? . 44 ASN A CG 17 ATOM 345 O OD1 . ASN A 17 44 . 12.854 20.435 16.550 1.00 7.00 ? ? ? ? ? . 44 ASN A OD1 17 ATOM 346 N ND2 . ASN A 17 44 . 10.877 20.105 16.298 1.00 7.00 ? ? ? ? ? . 44 ASN A ND2 17 ATOM 347 N N . ARG A 17 45 . 14.370 19.116 20.656 1.00 7.00 ? ? ? ? ? . 45 ARG A N 17 ATOM 348 C CA . ARG A 17 45 . 14.766 19.248 21.857 1.00 6.00 ? ? ? ? ? . 45 ARG A CA 17 ATOM 349 C C . ARG A 17 45 . 15.293 20.698 22.109 1.00 6.00 ? ? ? ? ? . 45 ARG A C 17 ATOM 350 O O . ARG A 17 45 . 15.886 21.292 21.351 1.00 8.00 ? ? ? ? ? . 45 ARG A O 17 ATOM 351 C CB . ARG A 17 45 . 16.348 18.457 21.920 1.00 6.00 ? ? ? ? ? . 45 ARG A CB 17 ATOM 352 C CG . ARG A 17 45 . 17.007 18.128 23.246 1.00 6.00 ? ? ? ? ? . 45 ARG A CG 17 ATOM 353 C CD . ARG A 17 45 . 17.798 16.809 23.562 1.00 6.00 ? ? ? ? ? . 45 ARG A CD 17 ATOM 354 N NE . ARG A 17 45 . 17.930 16.216 24.762 1.00 7.00 ? ? ? ? ? . 45 ARG A NE 17 ATOM 355 C CZ . ARG A 17 45 . 18.589 15.293 24.952 1.00 6.00 ? ? ? ? ? . 45 ARG A CZ 17 ATOM 356 N NH1 . ARG A 17 45 . 19.446 14.700 23.815 1.00 7.00 ? ? ? ? ? . 45 ARG A NH1 17 ATOM 357 N NH2 . ARG A 17 45 . 18.984 14.832 26.215 1.00 7.00 ? ? ? ? ? . 45 ARG A NH2 17 ATOM 358 N N . ASN A 17 46 . 14.898 21.226 23.373 1.00 7.00 ? ? ? ? ? . 46 ASN A N 17 ATOM 359 C CA . ASN A 17 46 . 15.161 22.676 23.499 1.00 6.00 ? ? ? ? ? . 46 ASN A CA 17 ATOM 360 C C . ASN A 17 46 . 16.677 22.742 24.383 1.00 6.00 ? ? ? ? ? . 46 ASN A C 17 ATOM 361 O O . ASN A 17 46 . 17.139 21.423 24.889 1.00 8.00 ? ? ? ? ? . 46 ASN A O 17 ATOM 362 C CB . ASN A 17 46 . 13.513 23.071 23.815 1.00 6.00 ? ? ? ? ? . 46 ASN A CB 17 ATOM 363 C CG . ASN A 17 46 . 12.656 22.676 23.183 1.00 6.00 ? ? ? ? ? . 46 ASN A CG 17 ATOM 364 O OD1 . ASN A 17 46 . 11.997 21.951 23.752 1.00 7.00 ? ? ? ? ? . 46 ASN A OD1 17 ATOM 365 N ND2 . ASN A 17 46 . 12.393 23.071 22.741 1.00 7.00 ? ? ? ? ? . 46 ASN A ND2 17 ATOM 366 N N . THR A 17 47 . 17.271 23.401 25.268 1.00 7.00 ? ? ? ? ? . 47 THR A N 17 ATOM 367 C CA . THR A 17 47 . 18.589 23.071 26.026 1.00 6.00 ? ? ? ? ? . 47 THR A CA 17 ATOM 368 C C . THR A 17 47 . 18.457 22.280 27.542 1.00 6.00 ? ? ? ? ? . 47 THR A C 17 ATOM 369 O O . THR A 17 47 . 19.446 21.885 27.794 1.00 8.00 ? ? ? ? ? . 47 THR A O 17 ATOM 370 C CB . THR A 17 47 . 19.116 24.522 26.152 1.00 6.00 ? ? ? ? ? . 47 THR A CB 17 ATOM 371 O OG1 . THR A 17 47 . 18.457 25.049 25.394 1.00 8.00 ? ? ? ? ? . 47 THR A OG1 17 ATOM 372 C CG2 . THR A 17 47 . 20.567 24.390 25.710 1.00 6.00 ? ? ? ? ? . 47 THR A CG2 17 ATOM 373 N N . ASP A 17 48 . 17.139 22.544 27.921 1.00 7.00 ? ? ? ? ? . 48 ASP A N 17 ATOM 374 C CA . ASP A 17 48 . 17.007 21.819 29.500 1.00 6.00 ? ? ? ? ? . 48 ASP A CA 17 ATOM 375 C C . ASP A 17 48 . 16.545 20.501 29.626 1.00 6.00 ? ? ? ? ? . 48 ASP A C 17 ATOM 376 O O . ASP A 17 48 . 15.886 20.303 30.637 1.00 8.00 ? ? ? ? ? . 48 ASP A O 17 ATOM 377 C CB . ASP A 17 48 . 15.754 22.874 30.005 1.00 6.00 ? ? ? ? ? . 48 ASP A CB 17 ATOM 378 C CG . ASP A 17 48 . 14.634 22.544 29.563 1.00 6.00 ? ? ? ? ? . 48 ASP A CG 17 ATOM 379 O OD1 . ASP A 17 48 . 14.436 22.412 28.553 1.00 7.00 ? ? ? ? ? . 48 ASP A OD1 17 ATOM 380 O OD2 . ASP A 17 48 . 13.645 22.346 30.511 1.00 7.00 ? ? ? ? ? . 48 ASP A OD2 17 ATOM 381 N N . GLY A 17 49 . 16.809 19.512 28.742 1.00 7.00 ? ? ? ? ? . 49 GLY A N 17 ATOM 382 C CA . GLY A 17 49 . 16.480 17.930 28.805 1.00 6.00 ? ? ? ? ? . 49 GLY A CA 17 ATOM 383 C C . GLY A 17 49 . 15.227 18.128 27.794 1.00 6.00 ? ? ? ? ? . 49 GLY A C 17 ATOM 384 O O . GLY A 17 49 . 15.293 17.732 26.847 1.00 8.00 ? ? ? ? ? . 49 GLY A O 17 ATOM 385 N N . SER A 17 50 . 14.370 18.457 28.237 1.00 7.00 ? ? ? ? ? . 50 SER A N 17 ATOM 386 C CA . SER A 17 50 . 13.184 18.787 27.605 1.00 6.00 ? ? ? ? ? . 50 SER A CA 17 ATOM 387 C C . SER A 17 50 . 12.854 18.457 25.899 1.00 6.00 ? ? ? ? ? . 50 SER A C 17 ATOM 388 O O . SER A 17 50 . 14.041 19.116 25.268 1.00 8.00 ? ? ? ? ? . 50 SER A O 17 ATOM 389 C CB . SER A 17 50 . 12.393 19.907 27.921 1.00 6.00 ? ? ? ? ? . 50 SER A CB 17 ATOM 390 O OG . SER A 17 50 . 11.865 20.435 26.847 1.00 8.00 ? ? ? ? ? . 50 SER A OG 17 ATOM 391 N N . THR A 17 51 . 12.524 18.062 25.710 1.00 7.00 ? ? ? ? ? . 51 THR A N 17 ATOM 392 C CA . THR A 17 51 . 11.931 17.798 24.257 1.00 6.00 ? ? ? ? ? . 51 THR A CA 17 ATOM 393 C C . THR A 17 51 . 10.547 17.864 24.004 1.00 6.00 ? ? ? ? ? . 51 THR A C 17 ATOM 394 O O . THR A 17 51 . 9.756 17.732 24.636 1.00 8.00 ? ? ? ? ? . 51 THR A O 17 ATOM 395 C CB . THR A 17 51 . 12.524 16.150 24.067 1.00 6.00 ? ? ? ? ? . 51 THR A CB 17 ATOM 396 O OG1 . THR A 17 51 . 13.777 15.952 24.004 1.00 8.00 ? ? ? ? ? . 51 THR A OG1 17 ATOM 397 C CG2 . THR A 17 51 . 11.865 15.820 22.867 1.00 6.00 ? ? ? ? ? . 51 THR A CG2 17 ATOM 398 N N . ASP A 17 52 . 10.020 17.996 22.741 1.00 7.00 ? ? ? ? ? . 52 ASP A N 17 ATOM 399 C CA . ASP A 17 52 . 8.899 18.457 22.109 1.00 6.00 ? ? ? ? ? . 52 ASP A CA 17 ATOM 400 C C . ASP A 17 52 . 8.569 17.468 20.972 1.00 6.00 ? ? ? ? ? . 52 ASP A C 17 ATOM 401 O O . ASP A 17 52 . 9.426 17.139 20.404 1.00 8.00 ? ? ? ? ? . 52 ASP A O 17 ATOM 402 C CB . ASP A 17 52 . 9.097 19.841 21.351 1.00 6.00 ? ? ? ? ? . 52 ASP A CB 17 ATOM 403 C CG . ASP A 17 52 . 8.965 20.830 22.172 1.00 6.00 ? ? ? ? ? . 52 ASP A CG 17 ATOM 404 O OD1 . ASP A 17 52 . 8.965 20.830 23.373 1.00 8.00 ? ? ? ? ? . 52 ASP A OD1 17 ATOM 405 O OD2 . ASP A 17 52 . 9.031 22.083 21.857 1.00 8.00 ? ? ? ? ? . 52 ASP A OD2 17 ATOM 406 N N . TYR A 17 53 . 7.581 16.545 21.035 1.00 7.00 ? ? ? ? ? . 53 TYR A N 17 ATOM 407 C CA . TYR A 17 53 . 6.987 15.623 20.277 1.00 6.00 ? ? ? ? ? . 53 TYR A CA 17 ATOM 408 C C . TYR A 17 53 . 5.933 15.820 19.519 1.00 6.00 ? ? ? ? ? . 53 TYR A C 17 ATOM 409 O O . TYR A 17 53 . 4.614 16.216 20.151 1.00 8.00 ? ? ? ? ? . 53 TYR A O 17 ATOM 410 C CB . TYR A 17 53 . 6.724 14.502 21.225 1.00 6.00 ? ? ? ? ? . 53 TYR A CB 17 ATOM 411 C CG . TYR A 17 53 . 7.910 13.975 22.046 1.00 6.00 ? ? ? ? ? . 53 TYR A CG 17 ATOM 412 C CD1 . TYR A 17 53 . 8.767 12.920 21.604 1.00 6.00 ? ? ? ? ? . 53 TYR A CD1 17 ATOM 413 C CD2 . TYR A 17 53 . 8.108 14.502 23.183 1.00 6.00 ? ? ? ? ? . 53 TYR A CD2 17 ATOM 414 C CE1 . TYR A 17 53 . 9.756 12.524 22.362 1.00 6.00 ? ? ? ? ? . 53 TYR A CE1 17 ATOM 415 C CE2 . TYR A 17 53 . 9.163 14.304 24.004 1.00 6.00 ? ? ? ? ? . 53 TYR A CE2 17 ATOM 416 C CZ . TYR A 17 53 . 10.020 13.184 23.499 1.00 6.00 ? ? ? ? ? . 53 TYR A CZ 17 ATOM 417 O OH . TYR A 17 53 . 11.338 12.920 24.257 1.00 8.00 ? ? ? ? ? . 53 TYR A OH 17 ATOM 418 N N . GLY A 17 54 . 5.405 15.425 18.319 1.00 7.00 ? ? ? ? ? . 54 GLY A N 17 ATOM 419 C CA . GLY A 17 54 . 4.087 15.161 17.687 1.00 6.00 ? ? ? ? ? . 54 GLY A CA 17 ATOM 420 C C . GLY A 17 54 . 3.757 16.480 17.119 1.00 6.00 ? ? ? ? ? . 54 GLY A C 17 ATOM 421 O O . GLY A 17 54 . 4.285 17.600 17.182 1.00 8.00 ? ? ? ? ? . 54 GLY A O 17 ATOM 422 N N . ILE A 17 55 . 2.637 16.282 16.424 1.00 7.00 ? ? ? ? ? . 55 ILE A N 17 ATOM 423 C CA . ILE A 17 55 . 1.846 17.600 15.413 1.00 6.00 ? ? ? ? ? . 55 ILE A CA 17 ATOM 424 C C . ILE A 17 55 . 1.912 18.391 16.424 1.00 6.00 ? ? ? ? ? . 55 ILE A C 17 ATOM 425 O O . ILE A 17 55 . 1.780 19.775 15.919 1.00 8.00 ? ? ? ? ? . 55 ILE A O 17 ATOM 426 C CB . ILE A 17 55 . 0.527 16.875 15.161 1.00 6.00 ? ? ? ? ? . 55 ILE A CB 17 ATOM 427 C CG1 . ILE A 17 55 . -0.264 17.600 13.897 1.00 6.00 ? ? ? ? ? . 55 ILE A CG1 17 ATOM 428 C CG2 . ILE A 17 55 . -0.659 17.007 16.424 1.00 6.00 ? ? ? ? ? . 55 ILE A CG2 17 ATOM 429 C CD1 . ILE A 17 55 . 0.395 17.139 12.634 1.00 6.00 ? ? ? ? ? . 55 ILE A CD1 17 ATOM 430 N N . LEU A 17 56 . 1.912 18.457 17.687 1.00 7.00 ? ? ? ? ? . 56 LEU A N 17 ATOM 431 C CA . LEU A 17 56 . 1.187 19.775 18.319 1.00 6.00 ? ? ? ? ? . 56 LEU A CA 17 ATOM 432 C C . LEU A 17 56 . 2.175 20.237 19.456 1.00 6.00 ? ? ? ? ? . 56 LEU A C 17 ATOM 433 O O . LEU A 17 56 . 1.978 21.094 19.961 1.00 8.00 ? ? ? ? ? . 56 LEU A O 17 ATOM 434 C CB . LEU A 17 56 . 0.000 19.578 18.951 1.00 6.00 ? ? ? ? ? . 56 LEU A CB 17 ATOM 435 C CG . LEU A 17 56 . -0.989 20.303 18.951 1.00 6.00 ? ? ? ? ? . 56 LEU A CG 17 ATOM 436 C CD1 . LEU A 17 56 . -1.187 21.094 17.561 1.00 6.00 ? ? ? ? ? . 56 LEU A CD1 17 ATOM 437 C CD2 . LEU A 17 56 . -2.769 19.973 18.951 1.00 6.00 ? ? ? ? ? . 56 LEU A CD2 17 ATOM 438 N N . GLN A 17 57 . 3.494 19.775 19.203 1.00 7.00 ? ? ? ? ? . 57 GLN A N 17 ATOM 439 C CA . GLN A 17 57 . 4.746 19.907 20.025 1.00 6.00 ? ? ? ? ? . 57 GLN A CA 17 ATOM 440 C C . GLN A 17 57 . 4.548 19.841 21.478 1.00 6.00 ? ? ? ? ? . 57 GLN A C 17 ATOM 441 O O . GLN A 17 57 . 5.273 20.764 21.920 1.00 8.00 ? ? ? ? ? . 57 GLN A O 17 ATOM 442 C CB . GLN A 17 57 . 5.735 20.632 19.140 1.00 6.00 ? ? ? ? ? . 57 GLN A CB 17 ATOM 443 C CG . GLN A 17 57 . 6.196 20.566 17.687 1.00 6.00 ? ? ? ? ? . 57 GLN A CG 17 ATOM 444 C CD . GLN A 17 57 . 7.119 19.644 18.066 1.00 6.00 ? ? ? ? ? . 57 GLN A CD 17 ATOM 445 O OE1 . GLN A 17 57 . 8.108 19.841 18.572 1.00 7.00 ? ? ? ? ? . 57 GLN A OE1 17 ATOM 446 N NE2 . GLN A 17 57 . 6.987 18.259 17.687 1.00 7.00 ? ? ? ? ? . 57 GLN A NE2 17 ATOM 447 N N . ILE A 17 58 . 3.889 18.853 21.983 1.00 7.00 ? ? ? ? ? . 58 ILE A N 17 ATOM 448 C CA . ILE A 17 58 . 3.889 18.853 23.373 1.00 6.00 ? ? ? ? ? . 58 ILE A CA 17 ATOM 449 C C . ILE A 17 58 . 5.010 18.655 24.004 1.00 6.00 ? ? ? ? ? . 58 ILE A C 17 ATOM 450 O O . ILE A 17 58 . 5.801 17.666 23.436 1.00 8.00 ? ? ? ? ? . 58 ILE A O 17 ATOM 451 C CB . ILE A 17 58 . 2.769 18.128 23.815 1.00 6.00 ? ? ? ? ? . 58 ILE A CB 17 ATOM 452 C CG1 . ILE A 17 58 . 1.780 18.193 22.867 1.00 6.00 ? ? ? ? ? . 58 ILE A CG1 17 ATOM 453 C CG2 . ILE A 17 58 . 2.373 18.457 25.394 1.00 6.00 ? ? ? ? ? . 58 ILE A CG2 17 ATOM 454 C CD1 . ILE A 17 58 . 0.659 17.139 22.994 1.00 6.00 ? ? ? ? ? . 58 ILE A CD1 17 ATOM 455 N N . ASN A 17 59 . 5.537 19.578 25.268 1.00 7.00 ? ? ? ? ? . 59 ASN A N 17 ATOM 456 C CA . ASN A 17 59 . 6.724 19.248 25.899 1.00 6.00 ? ? ? ? ? . 59 ASN A CA 17 ATOM 457 C C . ASN A 17 59 . 6.658 18.128 26.973 1.00 6.00 ? ? ? ? ? . 59 ASN A C 17 ATOM 458 O O . ASN A 17 59 . 5.933 17.930 27.415 1.00 8.00 ? ? ? ? ? . 59 ASN A O 17 ATOM 459 C CB . ASN A 17 59 . 7.119 20.566 26.531 1.00 6.00 ? ? ? ? ? . 59 ASN A CB 17 ATOM 460 C CG . ASN A 17 59 . 8.174 20.830 27.163 1.00 6.00 ? ? ? ? ? . 59 ASN A CG 17 ATOM 461 O OD1 . ASN A 17 59 . 8.240 20.698 28.426 1.00 7.00 ? ? ? ? ? . 59 ASN A OD1 17 ATOM 462 N ND2 . ASN A 17 59 . 9.097 21.226 26.342 1.00 7.00 ? ? ? ? ? . 59 ASN A ND2 17 ATOM 463 N N . SER A 17 60 . 7.844 17.798 27.163 1.00 7.00 ? ? ? ? ? . 60 SER A N 17 ATOM 464 C CA . SER A 17 60 . 8.042 16.611 28.426 1.00 6.00 ? ? ? ? ? . 60 SER A CA 17 ATOM 465 C C . SER A 17 60 . 8.569 16.941 29.690 1.00 6.00 ? ? ? ? ? . 60 SER A C 17 ATOM 466 O O . SER A 17 60 . 8.372 16.018 30.511 1.00 8.00 ? ? ? ? ? . 60 SER A O 17 ATOM 467 C CB . SER A 17 60 . 8.965 15.820 28.237 1.00 6.00 ? ? ? ? ? . 60 SER A CB 17 ATOM 468 O OG . SER A 17 60 . 10.283 16.282 27.921 1.00 8.00 ? ? ? ? ? . 60 SER A OG 17 ATOM 469 N N . ARG A 17 61 . 8.701 18.325 29.942 1.00 7.00 ? ? ? ? ? . 61 ARG A N 17 ATOM 470 C CA . ARG A 17 61 . 8.701 18.655 31.332 1.00 6.00 ? ? ? ? ? . 61 ARG A CA 17 ATOM 471 C C . ARG A 17 61 . 7.449 18.655 32.027 1.00 6.00 ? ? ? ? ? . 61 ARG A C 17 ATOM 472 O O . ARG A 17 61 . 7.581 18.655 33.038 1.00 8.00 ? ? ? ? ? . 61 ARG A O 17 ATOM 473 C CB . ARG A 17 61 . 9.558 19.775 31.332 1.00 6.00 ? ? ? ? ? . 61 ARG A CB 17 ATOM 474 C CG . ARG A 17 61 . 9.690 20.435 33.038 1.00 6.00 ? ? ? ? ? . 61 ARG A CG 17 ATOM 475 C CD . ARG A 17 61 . 10.679 21.423 33.227 1.00 6.00 ? ? ? ? ? . 61 ARG A CD 17 ATOM 476 N NE . ARG A 17 61 . 10.942 21.555 34.743 1.00 7.00 ? ? ? ? ? . 61 ARG A NE 17 ATOM 477 C CZ . ARG A 17 61 . 11.997 21.951 35.122 1.00 6.00 ? ? ? ? ? . 61 ARG A CZ 17 ATOM 478 N NH1 . ARG A 17 61 . 12.986 22.214 34.238 1.00 7.00 ? ? ? ? ? . 61 ARG A NH1 17 ATOM 479 N NH2 . ARG A 17 61 . 11.997 22.544 36.386 1.00 7.00 ? ? ? ? ? . 61 ARG A NH2 17 ATOM 480 N N . TRP A 17 62 . 6.064 18.721 31.458 1.00 7.00 ? ? ? ? ? . 62 TRP A N 17 ATOM 481 C CA . TRP A 17 62 . 4.812 18.787 32.090 1.00 6.00 ? ? ? ? ? . 62 TRP A CA 17 ATOM 482 C C . TRP A 17 62 . 3.955 17.930 31.458 1.00 6.00 ? ? ? ? ? . 62 TRP A C 17 ATOM 483 O O . TRP A 17 62 . 3.296 17.468 31.964 1.00 8.00 ? ? ? ? ? . 62 TRP A O 17 ATOM 484 C CB . TRP A 17 62 . 4.285 20.435 32.216 1.00 6.00 ? ? ? ? ? . 62 TRP A CB 17 ATOM 485 C CG . TRP A 17 62 . 5.405 21.423 32.216 1.00 6.00 ? ? ? ? ? . 62 TRP A CG 17 ATOM 486 C CD1 . TRP A 17 62 . 6.064 21.951 31.269 1.00 6.00 ? ? ? ? ? . 62 TRP A CD1 17 ATOM 487 C CD2 . TRP A 17 62 . 5.933 22.083 33.480 1.00 6.00 ? ? ? ? ? . 62 TRP A CD2 17 ATOM 488 N NE1 . TRP A 17 62 . 7.251 23.071 31.585 1.00 7.00 ? ? ? ? ? . 62 TRP A NE1 17 ATOM 489 C CE2 . TRP A 17 62 . 6.987 23.203 32.974 1.00 6.00 ? ? ? ? ? . 62 TRP A CE2 17 ATOM 490 C CE3 . TRP A 17 62 . 5.462 21.754 34.554 1.00 6.00 ? ? ? ? ? . 62 TRP A CE3 17 ATOM 491 C CZ2 . TRP A 17 62 . 7.401 23.829 33.946 1.00 6.00 ? ? ? ? ? . 62 TRP A CZ2 17 ATOM 492 C CZ3 . TRP A 17 62 . 6.067 22.590 35.516 1.00 6.00 ? ? ? ? ? . 62 TRP A CZ3 17 ATOM 493 C CH2 . TRP A 17 62 . 6.962 23.607 35.217 1.00 6.00 ? ? ? ? ? . 62 TRP A CH2 17 ATOM 494 N N . TRP A 17 63 . 3.757 17.666 30.195 1.00 7.00 ? ? ? ? ? . 63 TRP A N 17 ATOM 495 C CA . TRP A 17 63 . 2.703 16.875 29.563 1.00 6.00 ? ? ? ? ? . 63 TRP A CA 17 ATOM 496 C C . TRP A 17 63 . 2.966 15.359 29.311 1.00 6.00 ? ? ? ? ? . 63 TRP A C 17 ATOM 497 O O . TRP A 17 63 . 1.978 14.832 29.437 1.00 8.00 ? ? ? ? ? . 63 TRP A O 17 ATOM 498 C CB . TRP A 17 63 . 2.175 17.600 28.047 1.00 6.00 ? ? ? ? ? . 63 TRP A CB 17 ATOM 499 C CG . TRP A 17 63 . 1.978 19.182 28.426 1.00 6.00 ? ? ? ? ? . 63 TRP A CG 17 ATOM 500 C CD1 . TRP A 17 63 . 2.966 20.039 27.731 1.00 6.00 ? ? ? ? ? . 63 TRP A CD1 17 ATOM 501 C CD2 . TRP A 17 63 . 1.121 19.512 29.437 1.00 6.00 ? ? ? ? ? . 63 TRP A CD2 17 ATOM 502 N NE1 . TRP A 17 63 . 2.505 21.226 28.426 1.00 7.00 ? ? ? ? ? . 63 TRP A NE1 17 ATOM 503 C CE2 . TRP A 17 63 . 1.450 21.028 29.311 1.00 6.00 ? ? ? ? ? . 63 TRP A CE2 17 ATOM 504 C CE3 . TRP A 17 63 . 0.264 18.984 30.384 1.00 6.00 ? ? ? ? ? . 63 TRP A CE3 17 ATOM 505 C CZ2 . TRP A 17 63 . 0.923 21.819 30.321 1.00 6.00 ? ? ? ? ? . 63 TRP A CZ2 17 ATOM 506 C CZ3 . TRP A 17 63 . -0.461 19.973 31.269 1.00 6.00 ? ? ? ? ? . 63 TRP A CZ3 17 ATOM 507 C CH2 . TRP A 17 63 . -0.132 21.160 31.206 1.00 6.00 ? ? ? ? ? . 63 TRP A CH2 17 ATOM 508 N N . CYS A 17 64 . 3.955 14.700 28.932 1.00 7.00 ? ? ? ? ? . 64 CYS A N 17 ATOM 509 C CA . CYS A 17 64 . 4.153 13.579 28.805 1.00 6.00 ? ? ? ? ? . 64 CYS A CA 17 ATOM 510 C C . CYS A 17 64 . 5.801 13.118 29.184 1.00 6.00 ? ? ? ? ? . 64 CYS A C 17 ATOM 511 O O . CYS A 17 64 . 6.394 13.843 29.184 1.00 8.00 ? ? ? ? ? . 64 CYS A O 17 ATOM 512 C CB . CYS A 17 64 . 4.285 13.315 27.289 1.00 6.00 ? ? ? ? ? . 64 CYS A CB 17 ATOM 513 S SG . CYS A 17 64 . 4.944 14.041 26.405 1.00 16.00 ? ? ? ? ? . 64 CYS A SG 17 ATOM 514 N N . ASN A 17 65 . 5.603 11.865 29.690 1.00 7.00 ? ? ? ? ? . 65 ASN A N 17 ATOM 515 C CA . ASN A 17 65 . 6.921 11.470 30.195 1.00 6.00 ? ? ? ? ? . 65 ASN A CA 17 ATOM 516 C C . ASN A 17 65 . 7.844 10.547 29.058 1.00 6.00 ? ? ? ? ? . 65 ASN A C 17 ATOM 517 O O . ASN A 17 65 . 6.921 10.020 28.173 1.00 8.00 ? ? ? ? ? . 65 ASN A O 17 ATOM 518 C CB . ASN A 17 65 . 6.724 10.283 31.142 1.00 6.00 ? ? ? ? ? . 65 ASN A CB 17 ATOM 519 C CG . ASN A 17 65 . 8.042 9.756 31.711 1.00 6.00 ? ? ? ? ? . 65 ASN A CG 17 ATOM 520 O OD1 . ASN A 17 65 . 8.833 10.217 31.964 1.00 8.00 ? ? ? ? ? . 65 ASN A OD1 17 ATOM 521 N ND2 . ASN A 17 65 . 7.910 8.438 31.837 1.00 8.00 ? ? ? ? ? . 65 ASN A ND2 17 ATOM 522 N N . ASP A 17 66 . 9.031 10.547 29.058 1.00 7.00 ? ? ? ? ? . 66 ASP A N 17 ATOM 523 C CA . ASP A 17 66 . 9.954 10.151 27.858 1.00 6.00 ? ? ? ? ? . 66 ASP A CA 17 ATOM 524 C C . ASP A 17 66 . 11.074 9.888 28.426 1.00 6.00 ? ? ? ? ? . 66 ASP A C 17 ATOM 525 O O . ASP A 17 66 . 11.865 9.229 27.794 1.00 8.00 ? ? ? ? ? . 66 ASP A O 17 ATOM 526 C CB . ASP A 17 66 . 10.020 11.668 27.100 1.00 6.00 ? ? ? ? ? . 66 ASP A CB 17 ATOM 527 C CG . ASP A 17 66 . 10.877 12.524 27.984 1.00 6.00 ? ? ? ? ? . 66 ASP A CG 17 ATOM 528 O OD1 . ASP A 17 66 . 11.206 12.524 28.932 1.00 7.00 ? ? ? ? ? . 66 ASP A OD1 17 ATOM 529 O OD2 . ASP A 17 66 . 11.602 13.447 27.226 1.00 7.00 ? ? ? ? ? . 66 ASP A OD2 17 ATOM 530 N N . GLY A 17 67 . 11.536 9.492 29.690 1.00 7.00 ? ? ? ? ? . 67 GLY A N 17 ATOM 531 C CA . GLY A 17 67 . 12.195 8.833 30.321 1.00 6.00 ? ? ? ? ? . 67 GLY A CA 17 ATOM 532 C C . GLY A 17 67 . 13.184 9.229 30.511 1.00 6.00 ? ? ? ? ? . 67 GLY A C 17 ATOM 533 O O . GLY A 17 67 . 14.238 8.701 31.206 1.00 8.00 ? ? ? ? ? . 67 GLY A O 17 ATOM 534 N N . ARG A 17 68 . 13.909 10.679 29.816 1.00 7.00 ? ? ? ? ? . 68 ARG A N 17 ATOM 535 C CA . ARG A 17 68 . 15.029 11.404 30.005 1.00 6.00 ? ? ? ? ? . 68 ARG A CA 17 ATOM 536 C C . ARG A 17 68 . 14.963 12.722 30.321 1.00 6.00 ? ? ? ? ? . 68 ARG A C 17 ATOM 537 O O . ARG A 17 68 . 15.952 13.381 30.069 1.00 8.00 ? ? ? ? ? . 68 ARG A O 17 ATOM 538 C CB . ARG A 17 68 . 16.150 11.206 28.679 1.00 6.00 ? ? ? ? ? . 68 ARG A CB 17 ATOM 539 C CG . ARG A 17 68 . 15.293 11.865 27.731 1.00 6.00 ? ? ? ? ? . 68 ARG A CG 17 ATOM 540 C CD . ARG A 17 68 . 16.480 12.195 26.657 1.00 6.00 ? ? ? ? ? . 68 ARG A CD 17 ATOM 541 N NE . ARG A 17 68 . 15.820 12.524 25.268 1.00 7.00 ? ? ? ? ? . 68 ARG A NE 17 ATOM 542 C CZ . ARG A 17 68 . 16.480 12.920 24.383 1.00 6.00 ? ? ? ? ? . 68 ARG A CZ 17 ATOM 543 N NH1 . ARG A 17 68 . 17.798 12.986 24.573 1.00 7.00 ? ? ? ? ? . 68 ARG A NH1 17 ATOM 544 N NH2 . ARG A 17 68 . 15.952 13.381 23.246 1.00 7.00 ? ? ? ? ? . 68 ARG A NH2 17 ATOM 545 N N . THR A 17 69 . 13.975 13.315 30.763 1.00 7.00 ? ? ? ? ? . 69 THR A N 17 ATOM 546 C CA . THR A 17 69 . 13.843 14.700 31.079 1.00 6.00 ? ? ? ? ? . 69 THR A CA 17 ATOM 547 C C . THR A 17 69 . 13.513 14.700 32.659 1.00 6.00 ? ? ? ? ? . 69 THR A C 17 ATOM 548 O O . THR A 17 69 . 12.195 14.700 32.722 1.00 8.00 ? ? ? ? ? . 69 THR A O 17 ATOM 549 C CB . THR A 17 69 . 12.524 15.161 30.321 1.00 6.00 ? ? ? ? ? . 69 THR A CB 17 ATOM 550 O OG1 . THR A 17 69 . 12.920 15.095 28.932 1.00 8.00 ? ? ? ? ? . 69 THR A OG1 17 ATOM 551 C CG2 . THR A 17 69 . 12.327 16.809 30.763 1.00 6.00 ? ? ? ? ? . 69 THR A CG2 17 ATOM 552 N N . PRO A 17 70 . 14.370 14.700 33.353 1.00 7.00 ? ? ? ? ? . 70 PRO A N 17 ATOM 553 C CA . PRO A 17 70 . 14.172 14.832 34.869 1.00 6.00 ? ? ? ? ? . 70 PRO A CA 17 ATOM 554 C C . PRO A 17 70 . 13.250 15.754 35.627 1.00 6.00 ? ? ? ? ? . 70 PRO A C 17 ATOM 555 O O . PRO A 17 70 . 12.524 15.161 36.512 1.00 8.00 ? ? ? ? ? . 70 PRO A O 17 ATOM 556 C CB . PRO A 17 70 . 15.359 14.963 35.501 1.00 6.00 ? ? ? ? ? . 70 PRO A CB 17 ATOM 557 C CG . PRO A 17 70 . 16.018 14.832 34.364 1.00 6.00 ? ? ? ? ? . 70 PRO A CG 17 ATOM 558 C CD . PRO A 17 70 . 15.623 14.832 33.038 1.00 6.00 ? ? ? ? ? . 70 PRO A CD 17 ATOM 559 N N . GLY A 17 71 . 12.854 16.809 35.122 1.00 7.00 ? ? ? ? ? . 71 GLY A N 17 ATOM 560 C CA . GLY A 17 71 . 11.865 17.666 35.754 1.00 6.00 ? ? ? ? ? . 71 GLY A CA 17 ATOM 561 C C . GLY A 17 71 . 10.547 17.139 35.754 1.00 6.00 ? ? ? ? ? . 71 GLY A C 17 ATOM 562 O O . GLY A 17 71 . 9.888 17.798 36.449 1.00 8.00 ? ? ? ? ? . 71 GLY A O 17 ATOM 563 N N . SER A 17 72 . 10.547 16.150 35.059 1.00 7.00 ? ? ? ? ? . 72 SER A N 17 ATOM 564 C CA . SER A 17 72 . 9.229 15.623 34.806 1.00 6.00 ? ? ? ? ? . 72 SER A CA 17 ATOM 565 C C . SER A 17 72 . 8.042 15.029 36.007 1.00 6.00 ? ? ? ? ? . 72 SER A C 17 ATOM 566 O O . SER A 17 72 . 8.306 14.502 36.891 1.00 8.00 ? ? ? ? ? . 72 SER A O 17 ATOM 567 C CB . SER A 17 72 . 9.426 14.172 33.985 1.00 6.00 ? ? ? ? ? . 72 SER A CB 17 ATOM 568 O OG . SER A 17 72 . 9.558 14.832 32.848 1.00 8.00 ? ? ? ? ? . 72 SER A OG 17 ATOM 569 N N . ARG A 17 73 . 6.987 15.689 35.627 1.00 7.00 ? ? ? ? ? . 73 ARG A N 17 ATOM 570 C CA . ARG A 17 73 . 5.867 15.689 36.259 1.00 6.00 ? ? ? ? ? . 73 ARG A CA 17 ATOM 571 C C . ARG A 17 73 . 4.944 15.293 34.996 1.00 6.00 ? ? ? ? ? . 73 ARG A C 17 ATOM 572 O O . ARG A 17 73 . 5.273 15.491 33.985 1.00 8.00 ? ? ? ? ? . 73 ARG A O 17 ATOM 573 C CB . ARG A 17 73 . 5.273 17.139 36.891 1.00 6.00 ? ? ? ? ? . 73 ARG A CB 17 ATOM 574 C CG . ARG A 17 73 . 5.933 17.798 38.533 1.00 6.00 ? ? ? ? ? . 73 ARG A CG 17 ATOM 575 C CD . ARG A 17 73 . 6.021 18.812 38.399 1.00 6.00 ? ? ? ? ? . 73 ARG A CD 17 ATOM 576 N NE . ARG A 17 73 . 6.762 19.228 39.600 1.00 7.00 ? ? ? ? ? . 73 ARG A NE 17 ATOM 577 C CZ . ARG A 17 73 . 7.185 20.494 39.810 1.00 6.00 ? ? ? ? ? . 73 ARG A CZ 17 ATOM 578 N NH1 . ARG A 17 73 . 7.090 21.419 38.847 1.00 7.00 ? ? ? ? ? . 73 ARG A NH1 17 ATOM 579 N NH2 . ARG A 17 73 . 7.692 20.811 40.987 1.00 7.00 ? ? ? ? ? . 73 ARG A NH2 17 ATOM 580 N N . ASN A 17 74 . 4.021 14.041 35.059 1.00 7.00 ? ? ? ? ? . 74 ASN A N 17 ATOM 581 C CA . ASN A 17 74 . 3.757 13.711 33.985 1.00 6.00 ? ? ? ? ? . 74 ASN A CA 17 ATOM 582 C C . ASN A 17 74 . 1.780 13.975 34.111 1.00 6.00 ? ? ? ? ? . 74 ASN A C 17 ATOM 583 O O . ASN A 17 74 . 0.791 13.052 34.238 1.00 8.00 ? ? ? ? ? . 74 ASN A O 17 ATOM 584 C CB . ASN A 17 74 . 3.691 11.931 33.796 1.00 6.00 ? ? ? ? ? . 74 ASN A CB 17 ATOM 585 C CG . ASN A 17 74 . 3.230 11.536 32.216 1.00 6.00 ? ? ? ? ? . 74 ASN A CG 17 ATOM 586 O OD1 . ASN A 17 74 . 3.296 10.679 32.090 1.00 7.00 ? ? ? ? ? . 74 ASN A OD1 17 ATOM 587 N ND2 . ASN A 17 74 . 2.505 12.524 31.585 1.00 7.00 ? ? ? ? ? . 74 ASN A ND2 17 ATOM 588 N N . LEU A 17 75 . 1.846 15.491 33.669 1.00 7.00 ? ? ? ? ? . 75 LEU A N 17 ATOM 589 C CA . LEU A 17 75 . 0.725 16.018 33.732 1.00 6.00 ? ? ? ? ? . 75 LEU A CA 17 ATOM 590 C C . LEU A 17 75 . -0.264 15.359 32.722 1.00 6.00 ? ? ? ? ? . 75 LEU A C 17 ATOM 591 O O . LEU A 17 75 . -1.516 14.766 32.848 1.00 8.00 ? ? ? ? ? . 75 LEU A O 17 ATOM 592 C CB . LEU A 17 75 . 0.461 17.798 33.796 1.00 6.00 ? ? ? ? ? . 75 LEU A CB 17 ATOM 593 C CG . LEU A 17 75 . 0.791 18.128 34.933 1.00 6.00 ? ? ? ? ? . 75 LEU A CG 17 ATOM 594 C CD1 . LEU A 17 75 . -0.198 17.468 36.007 1.00 6.00 ? ? ? ? ? . 75 LEU A CD1 17 ATOM 595 C CD2 . LEU A 17 75 . 2.109 17.600 35.312 1.00 6.00 ? ? ? ? ? . 75 LEU A CD2 17 ATOM 596 N N . CYS A 17 76 . -0.132 15.029 31.332 1.00 7.00 ? ? ? ? ? . 76 CYS A N 17 ATOM 597 C CA . CYS A 17 76 . -1.187 14.107 30.700 1.00 6.00 ? ? ? ? ? . 76 CYS A CA 17 ATOM 598 C C . CYS A 17 76 . -0.791 12.524 30.827 1.00 6.00 ? ? ? ? ? . 76 CYS A C 17 ATOM 599 O O . CYS A 17 76 . -1.648 11.997 30.258 1.00 8.00 ? ? ? ? ? . 76 CYS A O 17 ATOM 600 C CB . CYS A 17 76 . -1.384 14.436 29.058 1.00 6.00 ? ? ? ? ? . 76 CYS A CB 17 ATOM 601 S SG . CYS A 17 76 . -1.714 16.150 28.426 1.00 16.00 ? ? ? ? ? . 76 CYS A SG 17 ATOM 602 N N . ASN A 17 77 . -0.132 11.997 31.711 1.00 7.00 ? ? ? ? ? . 77 ASN A N 17 ATOM 603 C CA . ASN A 17 77 . -0.066 10.942 32.280 1.00 6.00 ? ? ? ? ? . 77 ASN A CA 17 ATOM 604 C C . ASN A 17 77 . 0.000 9.888 30.827 1.00 6.00 ? ? ? ? ? . 77 ASN A C 17 ATOM 605 O O . ASN A 17 77 . -0.659 8.965 30.827 1.00 8.00 ? ? ? ? ? . 77 ASN A O 17 ATOM 606 C CB . ASN A 17 77 . -1.121 10.415 33.038 1.00 6.00 ? ? ? ? ? . 77 ASN A CB 17 ATOM 607 C CG . ASN A 17 77 . -0.791 9.558 34.048 1.00 6.00 ? ? ? ? ? . 77 ASN A CG 17 ATOM 608 O OD1 . ASN A 17 77 . -0.132 8.372 33.985 1.00 7.00 ? ? ? ? ? . 77 ASN A OD1 17 ATOM 609 N ND2 . ASN A 17 77 . -0.659 9.624 35.375 1.00 7.00 ? ? ? ? ? . 77 ASN A ND2 17 ATOM 610 N N . ILE A 17 78 . 0.659 10.217 29.942 1.00 7.00 ? ? ? ? ? . 78 ILE A N 17 ATOM 611 C CA . ILE A 17 78 . 0.791 9.492 28.679 1.00 6.00 ? ? ? ? ? . 78 ILE A CA 17 ATOM 612 C C . ILE A 17 78 . 2.307 9.492 28.426 1.00 6.00 ? ? ? ? ? . 78 ILE A C 17 ATOM 613 O O . ILE A 17 78 . 3.164 10.415 28.553 1.00 8.00 ? ? ? ? ? . 78 ILE A O 17 ATOM 614 C CB . ILE A 17 78 . 0.132 9.888 27.479 1.00 6.00 ? ? ? ? ? . 78 ILE A CB 17 ATOM 615 C CG1 . ILE A 17 78 . 0.132 9.097 26.278 1.00 6.00 ? ? ? ? ? . 78 ILE A CG1 17 ATOM 616 C CG2 . ILE A 17 78 . 0.857 11.404 27.163 1.00 6.00 ? ? ? ? ? . 78 ILE A CG2 17 ATOM 617 C CD1 . ILE A 17 78 . -0.659 7.778 26.531 1.00 6.00 ? ? ? ? ? . 78 ILE A CD1 17 ATOM 618 N N . PRO A 17 79 . 3.098 8.569 27.858 1.00 7.00 ? ? ? ? ? . 79 PRO A N 17 ATOM 619 C CA . PRO A 17 79 . 4.614 8.569 27.542 1.00 6.00 ? ? ? ? ? . 79 PRO A CA 17 ATOM 620 C C . PRO A 17 79 . 4.746 9.426 26.152 1.00 6.00 ? ? ? ? ? . 79 PRO A C 17 ATOM 621 O O . PRO A 17 79 . 3.955 8.899 25.268 1.00 8.00 ? ? ? ? ? . 79 PRO A O 17 ATOM 622 C CB . PRO A 17 79 . 5.010 7.053 27.479 1.00 6.00 ? ? ? ? ? . 79 PRO A CB 17 ATOM 623 C CG . PRO A 17 79 . 3.691 6.262 27.479 1.00 6.00 ? ? ? ? ? . 79 PRO A CG 17 ATOM 624 C CD . PRO A 17 79 . 2.571 7.317 27.668 1.00 6.00 ? ? ? ? ? . 79 PRO A CD 17 ATOM 625 N N . CYS A 17 80 . 5.405 10.151 26.152 1.00 7.00 ? ? ? ? ? . 80 CYS A N 17 ATOM 626 C CA . CYS A 17 80 . 5.933 11.206 24.762 1.00 6.00 ? ? ? ? ? . 80 CYS A CA 17 ATOM 627 C C . CYS A 17 80 . 5.405 10.679 23.436 1.00 6.00 ? ? ? ? ? . 80 CYS A C 17 ATOM 628 O O . CYS A 17 80 . 4.746 11.206 22.615 1.00 8.00 ? ? ? ? ? . 80 CYS A O 17 ATOM 629 C CB . CYS A 17 80 . 7.383 11.931 25.268 1.00 6.00 ? ? ? ? ? . 80 CYS A CB 17 ATOM 630 S SG . CYS A 17 80 . 7.119 13.184 26.531 1.00 16.00 ? ? ? ? ? . 80 CYS A SG 17 ATOM 631 N N . SER A 17 81 . 6.130 9.492 23.309 1.00 7.00 ? ? ? ? ? . 81 SER A N 17 ATOM 632 C CA . SER A 17 81 . 5.999 8.635 22.299 1.00 6.00 ? ? ? ? ? . 81 SER A CA 17 ATOM 633 C C . SER A 17 81 . 4.746 8.306 21.730 1.00 6.00 ? ? ? ? ? . 81 SER A C 17 ATOM 634 O O . SER A 17 81 . 4.614 8.306 20.340 1.00 8.00 ? ? ? ? ? . 81 SER A O 17 ATOM 635 C CB . SER A 17 81 . 6.856 7.515 22.741 1.00 6.00 ? ? ? ? ? . 81 SER A CB 17 ATOM 636 O OG . SER A 17 81 . 5.801 6.130 23.120 1.00 8.00 ? ? ? ? ? . 81 SER A OG 17 ATOM 637 N N . ALA A 17 82 . 3.889 8.108 22.551 1.00 7.00 ? ? ? ? ? . 82 ALA A N 17 ATOM 638 C CA . ALA A 17 82 . 2.307 8.108 22.236 1.00 6.00 ? ? ? ? ? . 82 ALA A CA 17 ATOM 639 C C . ALA A 17 82 . 2.043 9.229 21.225 1.00 6.00 ? ? ? ? ? . 82 ALA A C 17 ATOM 640 O O . ALA A 17 82 . 0.989 8.899 20.214 1.00 8.00 ? ? ? ? ? . 82 ALA A O 17 ATOM 641 C CB . ALA A 17 82 . 1.318 8.174 23.373 1.00 6.00 ? ? ? ? ? . 82 ALA A CB 17 ATOM 642 N N . LEU A 17 83 . 2.571 10.415 21.604 1.00 7.00 ? ? ? ? ? . 83 LEU A N 17 ATOM 643 C CA . LEU A 17 83 . 2.439 11.536 20.846 1.00 6.00 ? ? ? ? ? . 83 LEU A CA 17 ATOM 644 C C . LEU A 17 83 . 2.637 11.470 19.330 1.00 6.00 ? ? ? ? ? . 83 LEU A C 17 ATOM 645 O O . LEU A 17 83 . 1.978 12.195 18.698 1.00 8.00 ? ? ? ? ? . 83 LEU A O 17 ATOM 646 C CB . LEU A 17 83 . 2.966 12.920 21.541 1.00 6.00 ? ? ? ? ? . 83 LEU A CB 17 ATOM 647 C CG . LEU A 17 83 . 2.109 12.920 22.867 1.00 6.00 ? ? ? ? ? . 83 LEU A CG 17 ATOM 648 C CD1 . LEU A 17 83 . 2.637 14.172 23.625 1.00 6.00 ? ? ? ? ? . 83 LEU A CD1 17 ATOM 649 C CD2 . LEU A 17 83 . 0.593 12.986 22.551 1.00 6.00 ? ? ? ? ? . 83 LEU A CD2 17 ATOM 650 N N . LEU A 17 84 . 3.428 10.679 19.077 1.00 7.00 ? ? ? ? ? . 84 LEU A N 17 ATOM 651 C CA . LEU A 17 84 . 4.021 10.679 17.624 1.00 6.00 ? ? ? ? ? . 84 LEU A CA 17 ATOM 652 C C . LEU A 17 84 . 3.428 9.756 16.677 1.00 6.00 ? ? ? ? ? . 84 LEU A C 17 ATOM 653 O O . LEU A 17 84 . 3.625 9.558 15.666 1.00 8.00 ? ? ? ? ? . 84 LEU A O 17 ATOM 654 C CB . LEU A 17 84 . 5.603 10.217 17.056 1.00 6.00 ? ? ? ? ? . 84 LEU A CB 17 ATOM 655 C CG . LEU A 17 84 . 6.724 10.547 18.509 1.00 6.00 ? ? ? ? ? . 84 LEU A CG 17 ATOM 656 C CD1 . LEU A 17 84 . 7.844 10.086 18.003 1.00 6.00 ? ? ? ? ? . 84 LEU A CD1 17 ATOM 657 C CD2 . LEU A 17 84 . 6.460 12.327 18.193 1.00 6.00 ? ? ? ? ? . 84 LEU A CD2 17 ATOM 658 N N . SER A 17 85 . 2.505 8.899 17.182 1.00 7.00 ? ? ? ? ? . 85 SER A N 17 ATOM 659 C CA . SER A 17 85 . 1.846 7.910 16.361 1.00 6.00 ? ? ? ? ? . 85 SER A CA 17 ATOM 660 C C . SER A 17 85 . 0.330 8.569 15.413 1.00 6.00 ? ? ? ? ? . 85 SER A C 17 ATOM 661 O O . SER A 17 85 . 0.330 9.888 15.287 1.00 8.00 ? ? ? ? ? . 85 SER A O 17 ATOM 662 C CB . SER A 17 85 . 1.055 6.856 17.182 1.00 6.00 ? ? ? ? ? . 85 SER A CB 17 ATOM 663 O OG . SER A 17 85 . 0.000 7.317 18.003 1.00 8.00 ? ? ? ? ? . 85 SER A OG 17 ATOM 664 N N . SER A 17 86 . 0.066 7.976 14.403 1.00 7.00 ? ? ? ? ? . 86 SER A N 17 ATOM 665 C CA . SER A 17 86 . -0.264 8.503 13.329 1.00 6.00 ? ? ? ? ? . 86 SER A CA 17 ATOM 666 C C . SER A 17 86 . -1.780 8.569 13.645 1.00 6.00 ? ? ? ? ? . 86 SER A C 17 ATOM 667 O O . SER A 17 86 . -2.439 9.097 13.139 1.00 8.00 ? ? ? ? ? . 86 SER A O 17 ATOM 668 C CB . SER A 17 86 . -0.066 7.647 12.002 1.00 6.00 ? ? ? ? ? . 86 SER A CB 17 ATOM 669 O OG . SER A 17 86 . 0.906 7.237 11.514 1.00 8.00 ? ? ? ? ? . 86 SER A OG 17 ATOM 670 N N . ASP A 17 87 . -2.109 8.306 14.908 1.00 7.00 ? ? ? ? ? . 87 ASP A N 17 ATOM 671 C CA . ASP A 17 87 . -3.428 8.899 15.413 1.00 6.00 ? ? ? ? ? . 87 ASP A CA 17 ATOM 672 C C . ASP A 17 87 . -3.362 9.954 16.677 1.00 6.00 ? ? ? ? ? . 87 ASP A C 17 ATOM 673 O O . ASP A 17 87 . -2.505 9.690 17.435 1.00 8.00 ? ? ? ? ? . 87 ASP A O 17 ATOM 674 C CB . ASP A 17 87 . -3.757 7.778 16.234 1.00 6.00 ? ? ? ? ? . 87 ASP A CB 17 ATOM 675 C CG . ASP A 17 87 . -5.142 7.581 16.424 1.00 6.00 ? ? ? ? ? . 87 ASP A CG 17 ATOM 676 O OD1 . ASP A 17 87 . -5.801 8.042 17.056 1.00 8.00 ? ? ? ? ? . 87 ASP A OD1 17 ATOM 677 O OD2 . ASP A 17 87 . -5.867 6.987 15.729 1.00 8.00 ? ? ? ? ? . 87 ASP A OD2 17 ATOM 678 N N . ILE A 17 88 . -3.757 11.008 16.424 1.00 7.00 ? ? ? ? ? . 88 ILE A N 17 ATOM 679 C CA . ILE A 17 88 . -3.823 12.261 17.182 1.00 6.00 ? ? ? ? ? . 88 ILE A CA 17 ATOM 680 C C . ILE A 17 88 . -4.614 12.063 18.509 1.00 6.00 ? ? ? ? ? . 88 ILE A C 17 ATOM 681 O O . ILE A 17 88 . -4.417 13.513 18.951 1.00 8.00 ? ? ? ? ? . 88 ILE A O 17 ATOM 682 C CB . ILE A 17 88 . -3.823 13.645 16.424 1.00 6.00 ? ? ? ? ? . 88 ILE A CB 17 ATOM 683 C CG1 . ILE A 17 88 . -5.076 13.645 15.919 1.00 6.00 ? ? ? ? ? . 88 ILE A CG1 17 ATOM 684 C CG2 . ILE A 17 88 . -2.769 13.513 15.161 1.00 6.00 ? ? ? ? ? . 88 ILE A CG2 17 ATOM 685 C CD1 . ILE A 17 88 . -5.933 15.029 15.350 1.00 6.00 ? ? ? ? ? . 88 ILE A CD1 17 ATOM 686 N N . THR A 17 89 . -5.010 11.074 18.824 1.00 7.00 ? ? ? ? ? . 89 THR A N 17 ATOM 687 C CA . THR A 17 89 . -5.933 11.008 19.961 1.00 6.00 ? ? ? ? ? . 89 THR A CA 17 ATOM 688 C C . THR A 17 89 . -5.405 11.865 21.225 1.00 6.00 ? ? ? ? ? . 89 THR A C 17 ATOM 689 O O . THR A 17 89 . -5.933 12.524 21.478 1.00 8.00 ? ? ? ? ? . 89 THR A O 17 ATOM 690 C CB . THR A 17 89 . -6.262 9.756 20.214 1.00 6.00 ? ? ? ? ? . 89 THR A CB 17 ATOM 691 O OG1 . THR A 17 89 . -7.251 9.229 19.140 1.00 8.00 ? ? ? ? ? . 89 THR A OG1 17 ATOM 692 C CG2 . THR A 17 89 . -7.251 9.888 21.478 1.00 6.00 ? ? ? ? ? . 89 THR A CG2 17 ATOM 693 N N . ALA A 17 90 . -4.482 10.942 21.478 1.00 7.00 ? ? ? ? ? . 90 ALA A N 17 ATOM 694 C CA . ALA A 17 90 . -3.230 11.668 22.425 1.00 6.00 ? ? ? ? ? . 90 ALA A CA 17 ATOM 695 C C . ALA A 17 90 . -3.164 12.722 22.615 1.00 6.00 ? ? ? ? ? . 90 ALA A C 17 ATOM 696 O O . ALA A 17 90 . -3.296 13.184 23.373 1.00 8.00 ? ? ? ? ? . 90 ALA A O 17 ATOM 697 C CB . ALA A 17 90 . -2.307 10.217 22.425 1.00 6.00 ? ? ? ? ? . 90 ALA A CB 17 ATOM 698 N N . SER A 17 91 . -2.703 13.184 21.604 1.00 7.00 ? ? ? ? ? . 91 SER A N 17 ATOM 699 C CA . SER A 17 91 . -2.175 14.766 21.478 1.00 6.00 ? ? ? ? ? . 91 SER A CA 17 ATOM 700 C C . SER A 17 91 . -3.164 15.623 21.730 1.00 6.00 ? ? ? ? ? . 91 SER A C 17 ATOM 701 O O . SER A 17 91 . -3.164 16.348 22.425 1.00 8.00 ? ? ? ? ? . 91 SER A O 17 ATOM 702 C CB . SER A 17 91 . -1.582 14.963 20.025 1.00 6.00 ? ? ? ? ? . 91 SER A CB 17 ATOM 703 O OG . SER A 17 91 . -0.396 13.975 19.709 1.00 8.00 ? ? ? ? ? . 91 SER A OG 17 ATOM 704 N N . VAL A 17 92 . -4.285 15.491 20.846 1.00 7.00 ? ? ? ? ? . 92 VAL A N 17 ATOM 705 C CA . VAL A 17 92 . -5.339 16.348 20.909 1.00 6.00 ? ? ? ? ? . 92 VAL A CA 17 ATOM 706 C C . VAL A 17 92 . -5.999 16.348 22.362 1.00 6.00 ? ? ? ? ? . 92 VAL A C 17 ATOM 707 O O . VAL A 17 92 . -6.130 17.007 22.804 1.00 8.00 ? ? ? ? ? . 92 VAL A O 17 ATOM 708 C CB . VAL A 17 92 . -6.856 15.820 19.961 1.00 6.00 ? ? ? ? ? . 92 VAL A CB 17 ATOM 709 C CG1 . VAL A 17 92 . -7.976 15.952 20.088 1.00 6.00 ? ? ? ? ? . 92 VAL A CG1 17 ATOM 710 C CG2 . VAL A 17 92 . -5.933 16.150 18.445 1.00 6.00 ? ? ? ? ? . 92 VAL A CG2 17 ATOM 711 N N . ASN A 17 93 . -5.933 14.963 22.804 1.00 7.00 ? ? ? ? ? . 93 ASN A N 17 ATOM 712 C CA . ASN A 17 93 . -6.658 14.766 24.257 1.00 6.00 ? ? ? ? ? . 93 ASN A CA 17 ATOM 713 C C . ASN A 17 93 . -5.735 15.293 25.268 1.00 6.00 ? ? ? ? ? . 93 ASN A C 17 ATOM 714 O O . ASN A 17 93 . -6.262 15.886 26.089 1.00 8.00 ? ? ? ? ? . 93 ASN A O 17 ATOM 715 C CB . ASN A 17 93 . -6.724 13.118 24.447 1.00 6.00 ? ? ? ? ? . 93 ASN A CB 17 ATOM 716 C CG . ASN A 17 93 . -7.976 12.590 24.194 1.00 6.00 ? ? ? ? ? . 93 ASN A CG 17 ATOM 717 O OD1 . ASN A 17 93 . -8.767 13.184 24.004 1.00 7.00 ? ? ? ? ? . 93 ASN A OD1 17 ATOM 718 N ND2 . ASN A 17 93 . -8.042 11.206 24.383 1.00 7.00 ? ? ? ? ? . 93 ASN A ND2 17 ATOM 719 N N . CYS A 17 94 . -4.614 15.425 25.015 1.00 7.00 ? ? ? ? ? . 94 CYS A N 17 ATOM 720 C CA . CYS A 17 94 . -3.362 16.084 25.836 1.00 6.00 ? ? ? ? ? . 94 CYS A CA 17 ATOM 721 C C . CYS A 17 94 . -3.428 17.600 25.710 1.00 6.00 ? ? ? ? ? . 94 CYS A C 17 ATOM 722 O O . CYS A 17 94 . -3.428 18.523 26.531 1.00 8.00 ? ? ? ? ? . 94 CYS A O 17 ATOM 723 C CB . CYS A 17 94 . -2.175 15.754 25.268 1.00 6.00 ? ? ? ? ? . 94 CYS A CB 17 ATOM 724 S SG . CYS A 17 94 . -0.791 16.150 26.405 1.00 16.00 ? ? ? ? ? . 94 CYS A SG 17 ATOM 725 N N . ALA A 17 95 . -3.428 17.930 24.447 1.00 7.00 ? ? ? ? ? . 95 ALA A N 17 ATOM 726 C CA . ALA A 17 95 . -3.691 19.446 23.941 1.00 6.00 ? ? ? ? ? . 95 ALA A CA 17 ATOM 727 C C . ALA A 17 95 . -4.746 19.973 24.699 1.00 6.00 ? ? ? ? ? . 95 ALA A C 17 ATOM 728 O O . ALA A 17 95 . -4.746 20.962 24.889 1.00 8.00 ? ? ? ? ? . 95 ALA A O 17 ATOM 729 C CB . ALA A 17 95 . -3.955 19.182 22.425 1.00 6.00 ? ? ? ? ? . 95 ALA A CB 17 ATOM 730 N N . LYS A 17 96 . -5.933 19.446 24.889 1.00 7.00 ? ? ? ? ? . 96 LYS A N 17 ATOM 731 C CA . LYS A 17 96 . -7.053 19.710 25.647 1.00 6.00 ? ? ? ? ? . 96 LYS A CA 17 ATOM 732 C C . LYS A 17 96 . -6.592 20.105 27.163 1.00 6.00 ? ? ? ? ? . 96 LYS A C 17 ATOM 733 O O . LYS A 17 96 . -7.053 21.358 27.415 1.00 8.00 ? ? ? ? ? . 96 LYS A O 17 ATOM 734 C CB . LYS A 17 96 . -8.108 18.787 25.584 1.00 6.00 ? ? ? ? ? . 96 LYS A CB 17 ATOM 735 C CG . LYS A 17 96 . -8.833 18.787 24.194 1.00 6.00 ? ? ? ? ? . 96 LYS A CG 17 ATOM 736 C CD . LYS A 17 96 . -10.020 18.193 24.131 1.00 6.00 ? ? ? ? ? . 96 LYS A CD 17 ATOM 737 C CE . LYS A 17 96 . -10.679 17.666 22.867 1.00 6.00 ? ? ? ? ? . 96 LYS A CE 17 ATOM 738 N NZ . LYS A 17 96 . -11.206 16.150 23.120 1.00 7.00 ? ? ? ? ? . 96 LYS A NZ 17 ATOM 739 N N . LYS A 17 97 . -5.801 19.775 27.794 1.00 7.00 ? ? ? ? ? . 97 LYS A N 17 ATOM 740 C CA . LYS A 17 97 . -5.273 20.303 29.247 1.00 6.00 ? ? ? ? ? . 97 LYS A CA 17 ATOM 741 C C . LYS A 17 97 . -4.285 21.423 29.121 1.00 6.00 ? ? ? ? ? . 97 LYS A C 17 ATOM 742 O O . LYS A 17 97 . -4.417 21.951 30.511 1.00 8.00 ? ? ? ? ? . 97 LYS A O 17 ATOM 743 C CB . LYS A 17 97 . -5.076 19.116 29.879 1.00 6.00 ? ? ? ? ? . 97 LYS A CB 17 ATOM 744 C CG . LYS A 17 97 . -5.801 17.930 30.005 1.00 6.00 ? ? ? ? ? . 97 LYS A CG 17 ATOM 745 C CD . LYS A 17 97 . -5.273 16.941 31.079 1.00 6.00 ? ? ? ? ? . 97 LYS A CD 17 ATOM 746 C CE . LYS A 17 97 . -6.724 16.480 32.153 1.00 6.00 ? ? ? ? ? . 97 LYS A CE 17 ATOM 747 N NZ . LYS A 17 97 . -6.122 15.643 33.146 1.00 7.00 ? ? ? ? ? . 97 LYS A NZ 17 ATOM 748 N N . ILE A 17 98 . -3.757 21.489 28.047 1.00 7.00 ? ? ? ? ? . 98 ILE A N 17 ATOM 749 C CA . ILE A 17 98 . -2.835 22.742 27.921 1.00 6.00 ? ? ? ? ? . 98 ILE A CA 17 ATOM 750 C C . ILE A 17 98 . -3.428 24.060 27.542 1.00 6.00 ? ? ? ? ? . 98 ILE A C 17 ATOM 751 O O . ILE A 17 98 . -3.164 24.653 27.984 1.00 8.00 ? ? ? ? ? . 98 ILE A O 17 ATOM 752 C CB . ILE A 17 98 . -1.846 22.412 26.721 1.00 6.00 ? ? ? ? ? . 98 ILE A CB 17 ATOM 753 C CG1 . ILE A 17 98 . -1.055 21.094 27.163 1.00 6.00 ? ? ? ? ? . 98 ILE A CG1 17 ATOM 754 C CG2 . ILE A 17 98 . -0.989 23.731 26.721 1.00 6.00 ? ? ? ? ? . 98 ILE A CG2 17 ATOM 755 C CD1 . ILE A 17 98 . -0.330 20.105 25.899 1.00 6.00 ? ? ? ? ? . 98 ILE A CD1 17 ATOM 756 N N . VAL A 17 99 . -4.482 23.862 26.721 1.00 7.00 ? ? ? ? ? . 99 VAL A N 17 ATOM 757 C CA . VAL A 17 99 . -5.076 24.851 26.278 1.00 6.00 ? ? ? ? ? . 99 VAL A CA 17 ATOM 758 C C . VAL A 17 99 . -6.262 25.379 27.416 1.00 6.00 ? ? ? ? ? . 99 VAL A C 17 ATOM 759 O O . VAL A 17 99 . -6.856 26.433 27.289 1.00 8.00 ? ? ? ? ? . 99 VAL A O 17 ATOM 760 C CB . VAL A 17 99 . -6.328 24.653 25.015 1.00 6.00 ? ? ? ? ? . 99 VAL A CB 17 ATOM 761 C CG1 . VAL A 17 99 . -7.449 23.731 25.647 1.00 6.00 ? ? ? ? ? . 99 VAL A CG1 17 ATOM 762 C CG2 . VAL A 17 99 . -6.724 25.510 24.383 1.00 6.00 ? ? ? ? ? . 99 VAL A CG2 17 ATOM 763 N N . SER A 17 100 . -6.262 24.522 28.553 1.00 7.00 ? ? ? ? ? . 100 SER A N 17 ATOM 764 C CA . SER A 17 100 . -7.581 24.851 29.563 1.00 6.00 ? ? ? ? ? . 100 SER A CA 17 ATOM 765 C C . SER A 17 100 . -6.724 25.049 30.953 1.00 6.00 ? ? ? ? ? . 100 SER A C 17 ATOM 766 O O . SER A 17 100 . -7.449 25.247 31.648 1.00 8.00 ? ? ? ? ? . 100 SER A O 17 ATOM 767 C CB . SER A 17 100 . -8.240 24.060 29.816 1.00 6.00 ? ? ? ? ? . 100 SER A CB 17 ATOM 768 O OG . SER A 17 100 . -9.097 23.203 28.995 1.00 8.00 ? ? ? ? ? . 100 SER A OG 17 ATOM 769 N N . ASP A 17 101 . -5.537 25.379 30.953 1.00 7.00 ? ? ? ? ? . 101 ASP A N 17 ATOM 770 C CA . ASP A 17 101 . -4.944 25.313 32.153 1.00 6.00 ? ? ? ? ? . 101 ASP A CA 17 ATOM 771 C C . ASP A 17 101 . -4.746 26.697 32.406 1.00 6.00 ? ? ? ? ? . 101 ASP A C 17 ATOM 772 O O . ASP A 17 101 . -5.142 27.158 33.353 1.00 8.00 ? ? ? ? ? . 101 ASP A O 17 ATOM 773 C CB . ASP A 17 101 . -3.626 24.588 32.343 1.00 6.00 ? ? ? ? ? . 101 ASP A CB 17 ATOM 774 C CG . ASP A 17 101 . -3.253 23.268 31.950 1.00 6.00 ? ? ? ? ? . 101 ASP A CG 17 ATOM 775 O OD1 . ASP A 17 101 . -4.205 22.509 31.996 1.00 8.00 ? ? ? ? ? . 101 ASP A OD1 17 ATOM 776 O OD2 . ASP A 17 101 . -2.170 22.841 31.654 1.00 8.00 ? ? ? ? ? . 101 ASP A OD2 17 ATOM 777 N N . GLY A 17 102 . -4.417 27.686 31.585 1.00 7.00 ? ? ? ? ? . 102 GLY A N 17 ATOM 778 C CA . GLY A 17 102 . -4.482 29.004 31.774 1.00 6.00 ? ? ? ? ? . 102 GLY A CA 17 ATOM 779 C C . GLY A 17 102 . -4.219 29.993 30.700 1.00 6.00 ? ? ? ? ? . 102 GLY A C 17 ATOM 780 O O . GLY A 17 102 . -4.614 30.982 30.700 1.00 8.00 ? ? ? ? ? . 102 GLY A O 17 ATOM 781 N N . ASN A 17 103 . -3.626 29.597 29.563 1.00 7.00 ? ? ? ? ? . 103 ASN A N 17 ATOM 782 C CA . ASN A 17 103 . -2.769 30.454 28.679 1.00 6.00 ? ? ? ? ? . 103 ASN A CA 17 ATOM 783 C C . ASN A 17 103 . -3.032 30.520 27.226 1.00 6.00 ? ? ? ? ? . 103 ASN A C 17 ATOM 784 O O . ASN A 17 103 . -2.439 30.982 26.405 1.00 8.00 ? ? ? ? ? . 103 ASN A O 17 ATOM 785 C CB . ASN A 17 103 . -1.450 30.322 28.742 1.00 6.00 ? ? ? ? ? . 103 ASN A CB 17 ATOM 786 C CG . ASN A 17 103 . -0.791 30.586 30.321 1.00 6.00 ? ? ? ? ? . 103 ASN A CG 17 ATOM 787 O OD1 . ASN A 17 103 . -0.659 31.641 30.448 1.00 8.00 ? ? ? ? ? . 103 ASN A OD1 17 ATOM 788 N ND2 . ASN A 17 103 . -0.132 29.993 30.953 1.00 8.00 ? ? ? ? ? . 103 ASN A ND2 17 ATOM 789 N N . GLY A 17 104 . -4.087 29.729 27.163 1.00 7.00 ? ? ? ? ? . 104 GLY A N 17 ATOM 790 C CA . GLY A 17 104 . -4.614 29.334 25.899 1.00 6.00 ? ? ? ? ? . 104 GLY A CA 17 ATOM 791 C C . GLY A 17 104 . -3.560 28.806 25.015 1.00 6.00 ? ? ? ? ? . 104 GLY A C 17 ATOM 792 O O . GLY A 17 104 . -2.637 28.015 25.647 1.00 8.00 ? ? ? ? ? . 104 GLY A O 17 ATOM 793 N N . MET A 17 105 . -3.823 29.268 23.752 1.00 7.00 ? ? ? ? ? . 105 MET A N 17 ATOM 794 C CA . MET A 17 105 . -2.966 28.674 22.741 1.00 6.00 ? ? ? ? ? . 105 MET A CA 17 ATOM 795 C C . MET A 17 105 . -1.648 29.465 22.741 1.00 6.00 ? ? ? ? ? . 105 MET A C 17 ATOM 796 O O . MET A 17 105 . -0.659 29.334 21.920 1.00 8.00 ? ? ? ? ? . 105 MET A O 17 ATOM 797 C CB . MET A 17 105 . -3.494 28.740 21.414 1.00 6.00 ? ? ? ? ? . 105 MET A CB 17 ATOM 798 C CG . MET A 17 105 . -4.614 27.949 21.730 1.00 6.00 ? ? ? ? ? . 105 MET A CG 17 ATOM 799 S SD . MET A 17 105 . -5.076 27.488 20.025 1.00 16.00 ? ? ? ? ? . 105 MET A SD 17 ATOM 800 C CE . MET A 17 105 . -3.823 26.367 19.203 1.00 6.00 ? ? ? ? ? . 105 MET A CE 17 ATOM 801 N N . ASN A 17 106 . -1.450 30.322 23.752 1.00 7.00 ? ? ? ? ? . 106 ASN A N 17 ATOM 802 C CA . ASN A 17 106 . -0.198 31.311 24.004 1.00 6.00 ? ? ? ? ? . 106 ASN A CA 17 ATOM 803 C C . ASN A 17 106 . 0.857 30.388 24.510 1.00 6.00 ? ? ? ? ? . 106 ASN A C 17 ATOM 804 O O . ASN A 17 106 . 1.978 30.718 24.320 1.00 8.00 ? ? ? ? ? . 106 ASN A O 17 ATOM 805 C CB . ASN A 17 106 . -0.725 32.300 25.015 1.00 6.00 ? ? ? ? ? . 106 ASN A CB 17 ATOM 806 C CG . ASN A 17 106 . -1.187 33.618 24.068 1.00 6.00 ? ? ? ? ? . 106 ASN A CG 17 ATOM 807 O OD1 . ASN A 17 106 . -0.659 34.278 23.373 1.00 7.00 ? ? ? ? ? . 106 ASN A OD1 17 ATOM 808 N ND2 . ASN A 17 106 . -2.241 33.948 24.636 1.00 7.00 ? ? ? ? ? . 106 ASN A ND2 17 ATOM 809 N N . ALA A 17 107 . 0.659 29.334 25.268 1.00 7.00 ? ? ? ? ? . 107 ALA A N 17 ATOM 810 C CA . ALA A 17 107 . 1.318 28.213 25.647 1.00 6.00 ? ? ? ? ? . 107 ALA A CA 17 ATOM 811 C C . ALA A 17 107 . 1.978 27.554 24.447 1.00 6.00 ? ? ? ? ? . 107 ALA A C 17 ATOM 812 O O . ALA A 17 107 . 3.164 26.829 24.573 1.00 8.00 ? ? ? ? ? . 107 ALA A O 17 ATOM 813 C CB . ALA A 17 107 . 0.659 26.829 26.531 1.00 6.00 ? ? ? ? ? . 107 ALA A CB 17 ATOM 814 N N . TRP A 17 108 . 1.846 27.686 23.309 1.00 7.00 ? ? ? ? ? . 108 TRP A N 17 ATOM 815 C CA . TRP A 17 108 . 2.373 27.554 22.109 1.00 6.00 ? ? ? ? ? . 108 TRP A CA 17 ATOM 816 C C . TRP A 17 108 . 3.164 28.806 21.351 1.00 6.00 ? ? ? ? ? . 108 TRP A C 17 ATOM 817 O O . TRP A 17 108 . 2.373 29.136 20.530 1.00 8.00 ? ? ? ? ? . 108 TRP A O 17 ATOM 818 C CB . TRP A 17 108 . 1.648 26.829 20.909 1.00 6.00 ? ? ? ? ? . 108 TRP A CB 17 ATOM 819 C CG . TRP A 17 108 . 1.055 25.510 21.288 1.00 6.00 ? ? ? ? ? . 108 TRP A CG 17 ATOM 820 C CD1 . TRP A 17 108 . 1.780 24.390 20.972 1.00 6.00 ? ? ? ? ? . 108 TRP A CD1 17 ATOM 821 C CD2 . TRP A 17 108 . -0.198 24.851 21.920 1.00 6.00 ? ? ? ? ? . 108 TRP A CD2 17 ATOM 822 N NE1 . TRP A 17 108 . 0.791 23.137 21.288 1.00 7.00 ? ? ? ? ? . 108 TRP A NE1 17 ATOM 823 C CE2 . TRP A 17 108 . -0.132 23.533 21.857 1.00 6.00 ? ? ? ? ? . 108 TRP A CE2 17 ATOM 824 C CE3 . TRP A 17 108 . -1.187 25.576 22.362 1.00 6.00 ? ? ? ? ? . 108 TRP A CE3 17 ATOM 825 C CZ2 . TRP A 17 108 . -1.318 22.874 22.299 1.00 6.00 ? ? ? ? ? . 108 TRP A CZ2 17 ATOM 826 C CZ3 . TRP A 17 108 . -2.109 24.851 22.867 1.00 6.00 ? ? ? ? ? . 108 TRP A CZ3 17 ATOM 827 C CH2 . TRP A 17 108 . -2.109 23.467 22.867 1.00 6.00 ? ? ? ? ? . 108 TRP A CH2 17 ATOM 828 N N . VAL A 17 109 . 4.351 28.806 21.857 1.00 7.00 ? ? ? ? ? . 109 VAL A N 17 ATOM 829 C CA . VAL A 17 109 . 5.273 29.861 21.288 1.00 6.00 ? ? ? ? ? . 109 VAL A CA 17 ATOM 830 C C . VAL A 17 109 . 4.944 30.125 19.709 1.00 6.00 ? ? ? ? ? . 109 VAL A C 17 ATOM 831 O O . VAL A 17 109 . 4.614 31.509 19.330 1.00 8.00 ? ? ? ? ? . 109 VAL A O 17 ATOM 832 C CB . VAL A 17 109 . 6.658 29.531 21.351 1.00 6.00 ? ? ? ? ? . 109 VAL A CB 17 ATOM 833 C CG1 . VAL A 17 109 . 6.995 28.230 20.251 1.00 6.00 ? ? ? ? ? . 109 VAL A CG1 17 ATOM 834 C CG2 . VAL A 17 109 . 7.581 30.652 20.846 1.00 6.00 ? ? ? ? ? . 109 VAL A CG2 17 ATOM 835 N N . ALA A 17 110 . 4.812 29.268 18.888 1.00 7.00 ? ? ? ? ? . 110 ALA A N 17 ATOM 836 C CA . ALA A 17 110 . 4.482 29.466 17.435 1.00 6.00 ? ? ? ? ? . 110 ALA A CA 17 ATOM 837 C C . ALA A 17 110 . 3.164 29.993 17.056 1.00 6.00 ? ? ? ? ? . 110 ALA A C 17 ATOM 838 O O . ALA A 17 110 . 3.032 30.784 16.171 1.00 8.00 ? ? ? ? ? . 110 ALA A O 17 ATOM 839 C CB . ALA A 17 110 . 4.614 27.818 16.487 1.00 6.00 ? ? ? ? ? . 110 ALA A CB 17 ATOM 840 N N . TRP A 17 111 . 1.978 29.663 17.435 1.00 7.00 ? ? ? ? ? . 111 TRP A N 17 ATOM 841 C CA . TRP A 17 111 . 0.461 30.322 17.182 1.00 6.00 ? ? ? ? ? . 111 TRP A CA 17 ATOM 842 C C . TRP A 17 111 . 0.593 31.707 17.308 1.00 6.00 ? ? ? ? ? . 111 TRP A C 17 ATOM 843 O O . TRP A 17 111 . 0.000 32.630 16.424 1.00 8.00 ? ? ? ? ? . 111 TRP A O 17 ATOM 844 C CB . TRP A 17 111 . -0.659 29.268 17.940 1.00 6.00 ? ? ? ? ? . 111 TRP A CB 17 ATOM 845 C CG . TRP A 17 111 . -1.846 30.125 18.066 1.00 6.00 ? ? ? ? ? . 111 TRP A CG 17 ATOM 846 C CD1 . TRP A 17 111 . -2.637 29.861 17.182 1.00 6.00 ? ? ? ? ? . 111 TRP A CD1 17 ATOM 847 C CD2 . TRP A 17 111 . -2.175 30.850 19.140 1.00 6.00 ? ? ? ? ? . 111 TRP A CD2 17 ATOM 848 N NE1 . TRP A 17 111 . -3.889 30.520 17.687 1.00 7.00 ? ? ? ? ? . 111 TRP A NE1 17 ATOM 849 C CE2 . TRP A 17 111 . -3.691 31.179 18.888 1.00 6.00 ? ? ? ? ? . 111 TRP A CE2 17 ATOM 850 C CE3 . TRP A 17 111 . -1.780 31.509 20.214 1.00 6.00 ? ? ? ? ? . 111 TRP A CE3 17 ATOM 851 C CZ2 . TRP A 17 111 . -4.153 31.970 19.709 1.00 6.00 ? ? ? ? ? . 111 TRP A CZ2 17 ATOM 852 C CZ3 . TRP A 17 111 . -2.307 32.036 20.972 1.00 6.00 ? ? ? ? ? . 111 TRP A CZ3 17 ATOM 853 C CH2 . TRP A 17 111 . -3.823 32.300 20.783 1.00 6.00 ? ? ? ? ? . 111 TRP A CH2 17 ATOM 854 N N . ARG A 17 112 . 1.121 31.839 18.509 1.00 7.00 ? ? ? ? ? . 112 ARG A N 17 ATOM 855 C CA . ARG A 17 112 . 1.318 33.289 19.203 1.00 6.00 ? ? ? ? ? . 112 ARG A CA 17 ATOM 856 C C . ARG A 17 112 . 2.175 34.014 18.130 1.00 6.00 ? ? ? ? ? . 112 ARG A C 17 ATOM 857 O O . ARG A 17 112 . 1.648 35.069 17.687 1.00 8.00 ? ? ? ? ? . 112 ARG A O 17 ATOM 858 C CB . ARG A 17 112 . 2.043 33.091 20.467 1.00 6.00 ? ? ? ? ? . 112 ARG A CB 17 ATOM 859 C CG . ARG A 17 112 . 2.109 34.739 21.099 1.00 6.00 ? ? ? ? ? . 112 ARG A CG 17 ATOM 860 C CD . ARG A 17 112 . 3.032 34.607 22.362 1.00 6.00 ? ? ? ? ? . 112 ARG A CD 17 ATOM 861 N NE . ARG A 17 112 . 2.307 33.618 23.373 1.00 7.00 ? ? ? ? ? . 112 ARG A NE 17 ATOM 862 C CZ . ARG A 17 112 . 3.019 33.140 24.395 1.00 6.00 ? ? ? ? ? . 112 ARG A CZ 17 ATOM 863 N NH1 . ARG A 17 112 . 4.338 33.335 24.539 1.00 7.00 ? ? ? ? ? . 112 ARG A NH1 17 ATOM 864 N NH2 . ARG A 17 112 . 2.351 32.434 25.289 1.00 7.00 ? ? ? ? ? . 112 ARG A NH2 17 ATOM 865 N N . ASN A 17 113 . 3.296 33.816 17.814 1.00 7.00 ? ? ? ? ? . 113 ASN A N 17 ATOM 866 C CA . ASN A 17 113 . 4.219 34.673 16.993 1.00 6.00 ? ? ? ? ? . 113 ASN A CA 17 ATOM 867 C C . ASN A 17 113 . 3.494 34.739 15.413 1.00 6.00 ? ? ? ? ? . 113 ASN A C 17 ATOM 868 O O . ASN A 17 113 . 3.691 35.794 14.908 1.00 8.00 ? ? ? ? ? . 113 ASN A O 17 ATOM 869 C CB . ASN A 17 113 . 5.537 34.014 17.056 1.00 6.00 ? ? ? ? ? . 113 ASN A CB 17 ATOM 870 C CG . ASN A 17 113 . 6.262 34.409 18.445 1.00 6.00 ? ? ? ? ? . 113 ASN A CG 17 ATOM 871 O OD1 . ASN A 17 113 . 5.867 35.266 18.951 1.00 7.00 ? ? ? ? ? . 113 ASN A OD1 17 ATOM 872 N ND2 . ASN A 17 113 . 7.053 33.421 18.761 1.00 7.00 ? ? ? ? ? . 113 ASN A ND2 17 ATOM 873 N N . ARG A 17 114 . 3.230 33.552 14.971 1.00 7.00 ? ? ? ? ? . 114 ARG A N 17 ATOM 874 C CA . ARG A 17 114 . 2.769 33.355 13.455 1.00 6.00 ? ? ? ? ? . 114 ARG A CA 17 ATOM 875 C C . ARG A 17 114 . 1.252 33.157 13.139 1.00 6.00 ? ? ? ? ? . 114 ARG A C 17 ATOM 876 O O . ARG A 17 114 . 1.055 33.289 12.128 1.00 8.00 ? ? ? ? ? . 114 ARG A O 17 ATOM 877 C CB . ARG A 17 114 . 3.560 32.102 12.823 1.00 6.00 ? ? ? ? ? . 114 ARG A CB 17 ATOM 878 C CG . ARG A 17 114 . 4.746 31.970 13.455 1.00 6.00 ? ? ? ? ? . 114 ARG A CG 17 ATOM 879 C CD . ARG A 17 114 . 5.735 31.179 12.634 1.00 6.00 ? ? ? ? ? . 114 ARG A CD 17 ATOM 880 N NE . ARG A 17 114 . 5.801 31.509 11.181 1.00 7.00 ? ? ? ? ? . 114 ARG A NE 17 ATOM 881 C CZ . ARG A 17 114 . 6.460 30.652 10.549 1.00 6.00 ? ? ? ? ? . 114 ARG A CZ 17 ATOM 882 N NH1 . ARG A 17 114 . 7.251 29.663 11.244 1.00 7.00 ? ? ? ? ? . 114 ARG A NH1 17 ATOM 883 N NH2 . ARG A 17 114 . 6.064 30.982 9.286 1.00 7.00 ? ? ? ? ? . 114 ARG A NH2 17 ATOM 884 N N . CYS A 17 115 . 0.330 33.091 14.150 1.00 7.00 ? ? ? ? ? . 115 CYS A N 17 ATOM 885 C CA . CYS A 17 115 . -1.121 32.564 13.771 1.00 6.00 ? ? ? ? ? . 115 CYS A CA 17 ATOM 886 C C . CYS A 17 115 . -1.978 33.552 14.529 1.00 6.00 ? ? ? ? ? . 115 CYS A C 17 ATOM 887 O O . CYS A 17 115 . -2.769 34.080 14.213 1.00 8.00 ? ? ? ? ? . 115 CYS A O 17 ATOM 888 C CB . CYS A 17 115 . -1.648 31.443 14.213 1.00 6.00 ? ? ? ? ? . 115 CYS A CB 17 ATOM 889 S SG . CYS A 17 115 . -0.857 29.663 13.897 1.00 16.00 ? ? ? ? ? . 115 CYS A SG 17 ATOM 890 N N . LYS A 17 116 . -1.648 34.080 15.792 1.00 7.00 ? ? ? ? ? . 116 LYS A N 17 ATOM 891 C CA . LYS A 17 116 . -2.373 34.937 16.677 1.00 6.00 ? ? ? ? ? . 116 LYS A CA 17 ATOM 892 C C . LYS A 17 116 . -2.637 36.387 16.045 1.00 6.00 ? ? ? ? ? . 116 LYS A C 17 ATOM 893 O O . LYS A 17 116 . -1.912 36.980 16.045 1.00 8.00 ? ? ? ? ? . 116 LYS A O 17 ATOM 894 C CB . LYS A 17 116 . -1.846 35.266 18.193 1.00 6.00 ? ? ? ? ? . 116 LYS A CB 17 ATOM 895 C CG . LYS A 17 116 . -2.439 35.925 19.077 1.00 6.00 ? ? ? ? ? . 116 LYS A CG 17 ATOM 896 C CD . LYS A 17 116 . -2.175 35.662 20.277 1.00 6.00 ? ? ? ? ? . 116 LYS A CD 17 ATOM 897 C CE . LYS A 17 116 . -2.307 36.716 21.288 1.00 6.00 ? ? ? ? ? . 116 LYS A CE 17 ATOM 898 N NZ . LYS A 17 116 . -1.846 36.585 22.615 1.00 7.00 ? ? ? ? ? . 116 LYS A NZ 17 ATOM 899 N N . GLY A 17 117 . -3.757 36.585 15.792 1.00 7.00 ? ? ? ? ? . 117 GLY A N 17 ATOM 900 C CA . GLY A 17 117 . -4.153 37.639 15.224 1.00 6.00 ? ? ? ? ? . 117 GLY A CA 17 ATOM 901 C C . GLY A 17 117 . -4.153 37.639 13.645 1.00 6.00 ? ? ? ? ? . 117 GLY A C 17 ATOM 902 O O . GLY A 17 117 . -4.087 38.892 13.266 1.00 8.00 ? ? ? ? ? . 117 GLY A O 17 ATOM 903 N N . THR A 17 118 . -4.087 36.651 12.823 1.00 7.00 ? ? ? ? ? . 118 THR A N 17 ATOM 904 C CA . THR A 17 118 . -4.087 36.519 11.370 1.00 6.00 ? ? ? ? ? . 118 THR A CA 17 ATOM 905 C C . THR A 17 118 . -5.537 35.860 11.055 1.00 6.00 ? ? ? ? ? . 118 THR A C 17 ATOM 906 O O . THR A 17 118 . -6.130 35.464 11.876 1.00 8.00 ? ? ? ? ? . 118 THR A O 17 ATOM 907 C CB . THR A 17 118 . -2.900 35.596 10.928 1.00 6.00 ? ? ? ? ? . 118 THR A CB 17 ATOM 908 O OG1 . THR A 17 118 . -2.966 34.278 11.244 1.00 8.00 ? ? ? ? ? . 118 THR A OG1 17 ATOM 909 C CG2 . THR A 17 118 . -1.582 36.123 11.749 1.00 6.00 ? ? ? ? ? . 118 THR A CG2 17 ATOM 910 N N . ASP A 17 119 . -5.933 35.596 9.854 1.00 7.00 ? ? ? ? ? . 119 ASP A N 17 ATOM 911 C CA . ASP A 17 119 . -7.185 35.200 9.475 1.00 6.00 ? ? ? ? ? . 119 ASP A CA 17 ATOM 912 C C . ASP A 17 119 . -6.987 33.421 9.223 1.00 6.00 ? ? ? ? ? . 119 ASP A C 17 ATOM 913 O O . ASP A 17 119 . -6.592 33.091 8.212 1.00 8.00 ? ? ? ? ? . 119 ASP A O 17 ATOM 914 C CB . ASP A 17 119 . -7.910 35.596 8.212 1.00 6.00 ? ? ? ? ? . 119 ASP A CB 17 ATOM 915 C CG . ASP A 17 119 . -7.383 35.398 6.949 1.00 6.00 ? ? ? ? ? . 119 ASP A CG 17 ATOM 916 O OD1 . ASP A 17 119 . -8.042 34.937 6.506 1.00 8.00 ? ? ? ? ? . 119 ASP A OD1 17 ATOM 917 O OD2 . ASP A 17 119 . -6.592 35.596 6.822 1.00 8.00 ? ? ? ? ? . 119 ASP A OD2 17 ATOM 918 N N . VAL A 17 120 . -6.921 32.761 10.486 1.00 7.00 ? ? ? ? ? . 120 VAL A N 17 ATOM 919 C CA . VAL A 17 120 . -6.592 31.311 10.676 1.00 6.00 ? ? ? ? ? . 120 VAL A CA 17 ATOM 920 C C . VAL A 17 120 . -7.778 30.784 9.854 1.00 6.00 ? ? ? ? ? . 120 VAL A C 17 ATOM 921 O O . VAL A 17 120 . -7.383 29.663 9.475 1.00 8.00 ? ? ? ? ? . 120 VAL A O 17 ATOM 922 C CB . VAL A 17 120 . -6.790 31.113 12.192 1.00 6.00 ? ? ? ? ? . 120 VAL A CB 17 ATOM 923 C CG1 . VAL A 17 120 . -5.537 31.970 12.887 1.00 6.00 ? ? ? ? ? . 120 VAL A CG1 17 ATOM 924 C CG2 . VAL A 17 120 . -7.976 31.707 12.760 1.00 6.00 ? ? ? ? ? . 120 VAL A CG2 17 ATOM 925 N N . GLN A 17 121 . -8.965 31.113 9.475 1.00 7.00 ? ? ? ? ? . 121 GLN A N 17 ATOM 926 C CA . GLN A 17 121 . -9.954 30.520 8.591 1.00 6.00 ? ? ? ? ? . 121 GLN A CA 17 ATOM 927 C C . GLN A 17 121 . -9.558 29.993 7.075 1.00 6.00 ? ? ? ? ? . 121 GLN A C 17 ATOM 928 O O . GLN A 17 121 . -9.888 29.202 6.949 1.00 8.00 ? ? ? ? ? . 121 GLN A O 17 ATOM 929 C CB . GLN A 17 121 . -11.074 31.443 8.402 1.00 6.00 ? ? ? ? ? . 121 GLN A CB 17 ATOM 930 C CG . GLN A 17 121 . -11.536 32.036 9.475 1.00 6.00 ? ? ? ? ? . 121 GLN A CG 17 ATOM 931 C CD . GLN A 17 121 . -12.650 33.097 9.556 1.00 6.00 ? ? ? ? ? . 121 GLN A CD 17 ATOM 932 O OE1 . GLN A 17 121 . -13.394 33.336 10.568 1.00 7.00 ? ? ? ? ? . 121 GLN A OE1 17 ATOM 933 N NE2 . GLN A 17 121 . -12.737 33.728 8.462 1.00 7.00 ? ? ? ? ? . 121 GLN A NE2 17 ATOM 934 N N . ALA A 17 122 . -8.438 30.718 6.696 1.00 7.00 ? ? ? ? ? . 122 ALA A N 17 ATOM 935 C CA . ALA A 17 122 . -7.844 30.652 5.306 1.00 6.00 ? ? ? ? ? . 122 ALA A CA 17 ATOM 936 C C . ALA A 17 122 . -6.987 29.136 5.243 1.00 6.00 ? ? ? ? ? . 122 ALA A C 17 ATOM 937 O O . ALA A 17 122 . -6.921 28.674 4.548 1.00 8.00 ? ? ? ? ? . 122 ALA A O 17 ATOM 938 C CB . ALA A 17 122 . -6.724 31.509 4.864 1.00 6.00 ? ? ? ? ? . 122 ALA A CB 17 ATOM 939 N N . TRP A 17 123 . -6.856 28.740 6.506 1.00 7.00 ? ? ? ? ? . 123 TRP A N 17 ATOM 940 C CA . TRP A 17 123 . -6.262 27.290 6.759 1.00 6.00 ? ? ? ? ? . 123 TRP A CA 17 ATOM 941 C C . TRP A 17 123 . -7.053 26.499 6.317 1.00 6.00 ? ? ? ? ? . 123 TRP A C 17 ATOM 942 O O . TRP A 17 123 . -6.724 25.049 5.938 1.00 8.00 ? ? ? ? ? . 123 TRP A O 17 ATOM 943 C CB . TRP A 17 123 . -5.405 27.158 8.149 1.00 6.00 ? ? ? ? ? . 123 TRP A CB 17 ATOM 944 C CG . TRP A 17 123 . -4.153 28.279 8.149 1.00 6.00 ? ? ? ? ? . 123 TRP A CG 17 ATOM 945 C CD1 . TRP A 17 123 . -3.823 29.334 8.591 1.00 6.00 ? ? ? ? ? . 123 TRP A CD1 17 ATOM 946 C CD2 . TRP A 17 123 . -3.230 27.752 7.391 1.00 6.00 ? ? ? ? ? . 123 TRP A CD2 17 ATOM 947 N NE1 . TRP A 17 123 . -2.703 29.597 8.212 1.00 7.00 ? ? ? ? ? . 123 TRP A NE1 17 ATOM 948 C CE2 . TRP A 17 123 . -2.307 28.740 7.517 1.00 6.00 ? ? ? ? ? . 123 TRP A CE2 17 ATOM 949 C CE3 . TRP A 17 123 . -2.900 26.697 6.633 1.00 6.00 ? ? ? ? ? . 123 TRP A CE3 17 ATOM 950 C CZ2 . TRP A 17 123 . -1.055 28.609 6.885 1.00 6.00 ? ? ? ? ? . 123 TRP A CZ2 17 ATOM 951 C CZ3 . TRP A 17 123 . -1.648 26.565 6.064 1.00 6.00 ? ? ? ? ? . 123 TRP A CZ3 17 ATOM 952 C CH2 . TRP A 17 123 . -0.857 27.422 6.127 1.00 6.00 ? ? ? ? ? . 123 TRP A CH2 17 ATOM 953 N N . ILE A 17 124 . -8.569 26.433 6.696 1.00 7.00 ? ? ? ? ? . 124 ILE A N 17 ATOM 954 C CA . ILE A 17 124 . -9.756 25.576 6.570 1.00 6.00 ? ? ? ? ? . 124 ILE A CA 17 ATOM 955 C C . ILE A 17 124 . -10.415 25.906 5.369 1.00 6.00 ? ? ? ? ? . 124 ILE A C 17 ATOM 956 O O . ILE A 17 124 . -11.470 25.181 5.054 1.00 8.00 ? ? ? ? ? . 124 ILE A O 17 ATOM 957 C CB . ILE A 17 124 . -10.415 25.379 7.833 1.00 6.00 ? ? ? ? ? . 124 ILE A CB 17 ATOM 958 C CG1 . ILE A 17 124 . -11.206 26.697 8.212 1.00 6.00 ? ? ? ? ? . 124 ILE A CG1 17 ATOM 959 C CG2 . ILE A 17 124 . -9.888 24.522 8.844 1.00 6.00 ? ? ? ? ? . 124 ILE A CG2 17 ATOM 960 C CD1 . ILE A 17 124 . -11.865 26.367 9.286 1.00 6.00 ? ? ? ? ? . 124 ILE A CD1 17 ATOM 961 N N . ARG A 17 125 . -10.283 26.829 4.611 1.00 7.00 ? ? ? ? ? . 125 ARG A N 17 ATOM 962 C CA . ARG A 17 125 . -10.877 27.026 3.411 1.00 6.00 ? ? ? ? ? . 125 ARG A CA 17 ATOM 963 C C . ARG A 17 125 . -10.679 25.972 2.337 1.00 6.00 ? ? ? ? ? . 125 ARG A C 17 ATOM 964 O O . ARG A 17 125 . -9.888 25.708 2.085 1.00 8.00 ? ? ? ? ? . 125 ARG A O 17 ATOM 965 C CB . ARG A 17 125 . -10.481 28.477 2.779 1.00 6.00 ? ? ? ? ? . 125 ARG A CB 17 ATOM 966 C CG . ARG A 17 125 . -10.439 29.656 3.950 1.00 6.00 ? ? ? ? ? . 125 ARG A CG 17 ATOM 967 C CD . ARG A 17 125 . -9.397 30.695 3.583 1.00 6.00 ? ? ? ? ? . 125 ARG A CD 17 ATOM 968 N NE . ARG A 17 125 . -9.394 31.806 4.549 1.00 7.00 ? ? ? ? ? . 125 ARG A NE 17 ATOM 969 C CZ . ARG A 17 125 . -8.365 32.672 4.678 1.00 6.00 ? ? ? ? ? . 125 ARG A CZ 17 ATOM 970 N NH1 . ARG A 17 125 . -7.208 32.468 4.033 1.00 7.00 ? ? ? ? ? . 125 ARG A NH1 17 ATOM 971 N NH2 . ARG A 17 125 . -8.518 33.735 5.448 1.00 7.00 ? ? ? ? ? . 125 ARG A NH2 17 ATOM 972 N N . GLY A 17 126 . -11.668 25.510 1.832 1.00 7.00 ? ? ? ? ? . 126 GLY A N 17 ATOM 973 C CA . GLY A 17 126 . -11.602 24.588 0.695 1.00 6.00 ? ? ? ? ? . 126 GLY A CA 17 ATOM 974 C C . GLY A 17 126 . -11.931 23.137 1.327 1.00 6.00 ? ? ? ? ? . 126 GLY A C 17 ATOM 975 O O . GLY A 17 126 . -12.195 22.478 0.821 1.00 8.00 ? ? ? ? ? . 126 GLY A O 17 ATOM 976 N N . CYS A 17 127 . -11.865 23.137 2.716 1.00 7.00 ? ? ? ? ? . 127 CYS A N 17 ATOM 977 C CA . CYS A 17 127 . -12.327 21.951 3.411 1.00 6.00 ? ? ? ? ? . 127 CYS A CA 17 ATOM 978 C C . CYS A 17 127 . -13.645 21.423 3.601 1.00 6.00 ? ? ? ? ? . 127 CYS A C 17 ATOM 979 O O . CYS A 17 127 . -14.568 22.280 3.727 1.00 8.00 ? ? ? ? ? . 127 CYS A O 17 ATOM 980 C CB . CYS A 17 127 . -11.404 21.687 4.738 1.00 6.00 ? ? ? ? ? . 127 CYS A CB 17 ATOM 981 S SG . CYS A 17 127 . -9.558 22.083 4.675 1.00 16.00 ? ? ? ? ? . 127 CYS A SG 17 ATOM 982 N N . ARG A 17 128 . -13.975 20.435 3.348 1.00 7.00 ? ? ? ? ? . 128 ARG A N 17 ATOM 983 C CA . ARG A 17 128 . -15.359 19.710 3.601 1.00 6.00 ? ? ? ? ? . 128 ARG A CA 17 ATOM 984 C C . ARG A 17 128 . -15.425 19.512 5.054 1.00 6.00 ? ? ? ? ? . 128 ARG A C 17 ATOM 985 O O . ARG A 17 128 . -14.634 18.589 5.306 1.00 8.00 ? ? ? ? ? . 128 ARG A O 17 ATOM 986 C CB . ARG A 17 128 . -15.623 18.853 2.653 1.00 6.00 ? ? ? ? ? . 128 ARG A CB 17 ATOM 987 C CG . ARG A 17 128 . -15.233 18.979 1.071 1.00 6.00 ? ? ? ? ? . 128 ARG A CG 17 ATOM 988 C CD . ARG A 17 128 . -14.831 17.707 0.350 1.00 6.00 ? ? ? ? ? . 128 ARG A CD 17 ATOM 989 N NE . ARG A 17 128 . -14.532 17.973 -1.066 1.00 7.00 ? ? ? ? ? . 128 ARG A NE 17 ATOM 990 C CZ . ARG A 17 128 . -13.825 17.126 -1.846 1.00 6.00 ? ? ? ? ? . 128 ARG A CZ 17 ATOM 991 N NH1 . ARG A 17 128 . -13.214 16.054 -1.321 1.00 7.00 ? ? ? ? ? . 128 ARG A NH1 17 ATOM 992 N NH2 . ARG A 17 128 . -13.750 17.364 -3.143 1.00 7.00 ? ? ? ? ? . 128 ARG A NH2 17 ATOM 993 N N . LEU A 17 129 . -15.952 20.105 5.812 1.00 7.00 ? ? ? ? ? . 129 LEU A N 17 ATOM 994 C CA . LEU A 17 129 . -15.952 19.907 7.264 1.00 6.00 ? ? ? ? ? . 129 LEU A CA 17 ATOM 995 C C . LEU A 17 129 . -17.402 19.907 7.707 1.00 6.00 ? ? ? ? ? . 129 LEU A C 17 ATOM 996 O O . LEU A 17 129 . -18.062 19.973 7.138 1.00 8.00 ? ? ? ? ? . 129 LEU A O 17 ATOM 997 C CB . LEU A 17 129 . -15.227 21.226 7.959 1.00 6.00 ? ? ? ? ? . 129 LEU A CB 17 ATOM 998 C CG . LEU A 17 129 . -13.909 21.423 7.391 1.00 6.00 ? ? ? ? ? . 129 LEU A CG 17 ATOM 999 C CD1 . LEU A 17 129 . -13.052 22.412 7.833 1.00 6.00 ? ? ? ? ? . 129 LEU A CD1 17 ATOM 1000 C CD2 . LEU A 17 129 . -12.854 19.973 7.833 1.00 6.00 ? ? ? ? ? . 129 LEU A CD2 17 ATOM 1001 O OXT . LEU A 17 129 . -17.864 19.907 8.844 1.00 8.00 ? ? ? ? ? . 129 LEU A OXT 17 #