data_SASDDM5_MAIN # _sas_result.id 884 _sas_result.SASBDB_code SASDDM5 _sas_result.experimental_MW 200.000 _sas_result.experimental_MW_error . _sas_result.MW_standard 200.000 _sas_result.MW_standard_error 30.000 _sas_result.MW_Porod 190.000 _sas_result.MW_Porod_error . _sas_result.I0_from_PR 111800.0000000000 _sas_result.I0_from_PR_error 1500.0000000000 _sas_result.I0_from_Guinier 111945.0000000000 _sas_result.I0_from_Guinier_error 1243.0000000000 _sas_result.Rg_from_PR 9.430 _sas_result.Rg_from_PR_error 0.080 _sas_result.Rg_from_Guinier 8.980 _sas_result.Rg_from_Guinier_error 0.270 _sas_result.D_max 33.00 _sas_result.Porod_volume 210.00 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 1 _sas_result.Guinier_point_max 11 _sas_result.type_of_curve merged _sas_result.standard . _sas_result.Dmax_error 1.00 _sas_result.comments . # _sas_scan.title "Mutant mammalian prion protein mRNA (octo-repeat PrP mRNA) with KCl" _sas_scan.detc_id 4 _sas_scan.id 884 _sas_scan.measurement_date 2017-06-06 _sas_scan.storage_temperature 20.0 _sas_scan.cell_temperature 20.0 _sas_scan.exposure_time 0.050 _sas_scan.number_of_frames 20 _sas_scan.unit 1/nm _sas_scan.qmin 0.1161 _sas_scan.qmax 5.0327 _sas_scan.sample_id 844 _sas_scan.result_id 884 _sas_scan.beam_id 6 # _sas_beam.id 6 _sas_beam.instrument_name "PETRA III EMBL P12" _sas_beam.instrument_city Hamburg _sas_beam.instrument_country Germany _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.124000 _sas_beam.dist_spec_to_detc 3.10000 # _sas_detc.id 4 _sas_detc.name "Pilatus 2M" _sas_detc.type . _sas_detc.pixsize_x . # _sas_sample.id 844 _sas_sample.name "Mutant mammalian prion protein mRNA (octo-repeat PrP mRNA) with KCl" _sas_sample.ext_coefficient . _sas_sample.contrast . _sas_sample.specific_vol . _sas_sample.purity_method . _sas_sample.dry_vol . _sas_sample.sample_MW . _sas_sample.specimen_concentration 0.50-4.00 _sas_sample.concentration_method . _sas_sample.entity_id 1022 # _sas_buffer.id 515 _sas_buffer.name "10 mM Tris buffer with 100 mM KCl" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.500 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 844 # _entity.id 1022 _entity.type RNA _entity.pdbx_description "octo-repeat PrP mRNA mutant" _entity.formula_weight 71.843 _entity.pdbx_number_of_molecules 2 # _entity_name_com.entity_id 1022 _entity_name_com.name PrPmRNA_mut # _entity_poly.entity_id 1022 _entity_poly.pdbx_seq_one_letter_code AACACUGGGGGCAGCCGAUACCCGGGGCAGGGCAGCCCUGGAGGCAACCGCUACCCACCUCAGGGCGCUGCUGCCUGGGGGCAGCCUCAUGCUGCUGCCUGGGGGCAGCCUCAUGCUGCUGCCUGGGGGCAGCCCCAUGCUGCUGCCUGGGGACAGCCUCAUGCUGCUGCCUGGGGUCAAGGAGGUGGCACCCACCUCAGGGCGCUGCUGCCUGGGGGCAGC # _entity_src_gen.entity_id 1022 _entity_src_gen.gene_src_common_name "human PrP ORF" # _struct_ref.id 1 _struct_ref.entity_id 1022 _struct_ref.db_name UniProt _struct_ref.db_code . # _citation.id 433 _citation.title "Octa-repeat domain of the mammalian prion protein mRNA forms stable A-helical hairpin structure rather than G-quadruplexes." _citation.year "2019 Feb 21" _citation.pdbx_database_id_DOI 10.1038/s41598-019-39213-2 _citation.pdbx_database_id_PubMed 30792490 _citation.journal_abbrev "Sci Rep" _citation.journal_volume 9 _citation.journal_issue 1 _citation.page_first 2465 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 433 1 "Czech A" 433 2 "Konarev PV" 433 3 "Goebel I" 433 4 "Svergun DI" 433 5 "Wills PR" # _pdbx_contact_author.id 9 _pdbx_contact_author.name_first Petr _pdbx_contact_author.name_last Konarev _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 1.161320E-01 7.806150E+04 5.068260E+02 884 2 1.188810E-01 7.682380E+04 4.770520E+02 884 3 1.216310E-01 7.475980E+04 4.649790E+02 884 4 1.243810E-01 7.365240E+04 4.490400E+02 884 5 1.271310E-01 7.209970E+04 4.495920E+02 884 6 1.298800E-01 7.169240E+04 4.329750E+02 884 7 1.326300E-01 7.006340E+04 4.289720E+02 884 8 1.353800E-01 6.845350E+04 4.177290E+02 884 9 1.381300E-01 6.688030E+04 4.087200E+02 884 10 1.408790E-01 6.531760E+04 4.055990E+02 884 11 1.436290E-01 6.448260E+04 3.929500E+02 884 12 1.463790E-01 6.352580E+04 3.890030E+02 884 13 1.491290E-01 6.255790E+04 3.785790E+02 884 14 1.518790E-01 6.150440E+04 3.757190E+02 884 15 1.546280E-01 6.044850E+04 3.719420E+02 884 16 1.573780E-01 5.944180E+04 3.619990E+02 884 17 1.601280E-01 5.841790E+04 3.593930E+02 884 18 1.628780E-01 5.745070E+04 3.510720E+02 884 19 1.656270E-01 5.672570E+04 3.495660E+02 884 20 1.683770E-01 5.552240E+04 3.432670E+02 884 21 1.711270E-01 5.404190E+04 3.308000E+02 884 22 1.738770E-01 5.264980E+04 3.314180E+02 884 23 1.766260E-01 5.211690E+04 3.252810E+02 884 24 1.793760E-01 5.099070E+04 3.226060E+02 884 25 1.821260E-01 5.041670E+04 3.120450E+02 884 26 1.848760E-01 4.931120E+04 3.099410E+02 884 27 1.876250E-01 4.830750E+04 3.067240E+02 884 28 1.903750E-01 4.772100E+04 2.995320E+02 884 29 1.931250E-01 4.704020E+04 2.985910E+02 884 30 1.958750E-01 4.587240E+04 2.887930E+02 884 31 1.986240E-01 4.532870E+04 2.889970E+02 884 32 2.013740E-01 4.445070E+04 2.835150E+02 884 33 2.041240E-01 4.312430E+04 2.767560E+02 884 34 2.068740E-01 4.248600E+04 2.758860E+02 884 35 2.096230E-01 4.174820E+04 2.708420E+02 884 36 2.123730E-01 4.100650E+04 2.702260E+02 884 37 2.151230E-01 3.984890E+04 2.625100E+02 884 38 2.178730E-01 3.968880E+04 2.583290E+02 884 39 2.206230E-01 3.891230E+04 2.587460E+02 884 40 2.233720E-01 3.801970E+04 2.528850E+02 884 41 2.261220E-01 3.765810E+04 2.517500E+02 884 42 2.288720E-01 3.694840E+04 2.450670E+02 884 43 2.316220E-01 3.633880E+04 2.433840E+02 884 44 2.343710E-01 3.571040E+04 2.429790E+02 884 45 2.371210E-01 3.527300E+04 2.387790E+02 884 46 2.398710E-01 3.474340E+04 2.359470E+02 884 47 2.426210E-01 3.407930E+04 2.316830E+02 884 48 2.453700E-01 3.411770E+04 2.312840E+02 884 49 2.481200E-01 3.328180E+04 2.282560E+02 884 50 2.508700E-01 3.281030E+04 2.237150E+02 884 51 2.536200E-01 3.253580E+04 2.235180E+02 884 52 2.563690E-01 3.176490E+04 2.196620E+02 884 53 2.591190E-01 3.162970E+04 2.202120E+02 884 54 2.618690E-01 3.090290E+04 2.155550E+02 884 55 2.646190E-01 2.999600E+04 2.110380E+02 884 56 2.673680E-01 2.967810E+04 2.109770E+02 884 57 2.701180E-01 2.928770E+04 2.070290E+02 884 58 2.728680E-01 2.896850E+04 2.068230E+02 884 59 2.756180E-01 2.852740E+04 2.028110E+02 884 60 2.783680E-01 2.822530E+04 2.032940E+02 884 61 2.811170E-01 2.732020E+04 1.997820E+02 884 62 2.838670E-01 2.736240E+04 1.978170E+02 884 63 2.866170E-01 2.710830E+04 1.956820E+02 884 64 2.893670E-01 2.667160E+04 1.927630E+02 884 65 2.921160E-01 2.638120E+04 1.937240E+02 884 66 2.948660E-01 2.600030E+04 1.910180E+02 884 67 2.976160E-01 2.530710E+04 1.877080E+02 884 68 3.003660E-01 2.513360E+04 1.860780E+02 884 69 3.031150E-01 2.488530E+04 1.849560E+02 884 70 3.058650E-01 2.431970E+04 1.839040E+02 884 71 3.086150E-01 2.411860E+04 1.811340E+02 884 72 3.113650E-01 2.381550E+04 1.796250E+02 884 73 3.141140E-01 2.349710E+04 1.784280E+02 884 74 3.168640E-01 2.319640E+04 1.762540E+02 884 75 3.196140E-01 2.290230E+04 1.761920E+02 884 76 3.223640E-01 2.257630E+04 1.727900E+02 884 77 3.251130E-01 2.213760E+04 1.731160E+02 884 78 3.278630E-01 2.180300E+04 1.717350E+02 884 79 3.306130E-01 2.159950E+04 1.688070E+02 884 80 3.333630E-01 2.148910E+04 1.674830E+02 884 81 3.361120E-01 2.124760E+04 1.656120E+02 884 82 3.388620E-01 2.080380E+04 1.656930E+02 884 83 3.416120E-01 2.043890E+04 1.637460E+02 884 84 3.443620E-01 2.046160E+04 1.621360E+02 884 85 3.471120E-01 1.998390E+04 1.612640E+02 884 86 3.498610E-01 1.962320E+04 1.590730E+02 884 87 3.526110E-01 1.928100E+04 1.586710E+02 884 88 3.553610E-01 1.899740E+04 1.556790E+02 884 89 3.581110E-01 1.896850E+04 1.551630E+02 884 90 3.608600E-01 1.875110E+04 1.550320E+02 884 91 3.636100E-01 1.853650E+04 1.540710E+02 884 92 3.663600E-01 1.837350E+04 1.533420E+02 884 93 3.691100E-01 1.795130E+04 1.497090E+02 884 94 3.718590E-01 1.788010E+04 1.509570E+02 884 95 3.746090E-01 1.745540E+04 1.488530E+02 884 96 3.773590E-01 1.747360E+04 1.482310E+02 884 97 3.801090E-01 1.719960E+04 1.467960E+02 884 98 3.828580E-01 1.698680E+04 1.451280E+02 884 99 3.856080E-01 1.683880E+04 1.458560E+02 884 100 3.883580E-01 1.656590E+04 1.432270E+02 884 101 3.911080E-01 1.653780E+04 1.429600E+02 884 102 3.938570E-01 1.613050E+04 1.416160E+02 884 103 3.966070E-01 1.587620E+04 1.405780E+02 884 104 3.993570E-01 1.583610E+04 1.420800E+02 884 105 4.021070E-01 1.560190E+04 1.399750E+02 884 106 4.048570E-01 1.530370E+04 1.402820E+02 884 107 4.076060E-01 1.530020E+04 1.405470E+02 884 108 4.103560E-01 1.518000E+04 1.407210E+02 884 109 4.131060E-01 1.504690E+04 1.413590E+02 884 110 4.158560E-01 1.476910E+04 1.384800E+02 884 111 4.186050E-01 1.455050E+04 1.394280E+02 884 112 4.213550E-01 1.456230E+04 1.385990E+02 884 113 4.241050E-01 1.444780E+04 1.386070E+02 884 114 4.268550E-01 1.427680E+04 1.381650E+02 884 115 4.296040E-01 1.407590E+04 1.366070E+02 884 116 4.323540E-01 1.406570E+04 1.364660E+02 884 117 4.351040E-01 1.374430E+04 1.332360E+02 884 118 4.378540E-01 1.367290E+04 1.320520E+02 884 119 4.406030E-01 1.349910E+04 1.313820E+02 884 120 4.433530E-01 1.336970E+04 1.302870E+02 884 121 4.461030E-01 1.325040E+04 1.298790E+02 884 122 4.488530E-01 1.302410E+04 1.273210E+02 884 123 4.516020E-01 1.290890E+04 1.270180E+02 884 124 4.543520E-01 1.292540E+04 1.262820E+02 884 125 4.571020E-01 1.271210E+04 1.259860E+02 884 126 4.598520E-01 1.261150E+04 1.250940E+02 884 127 4.626020E-01 1.237650E+04 1.233140E+02 884 128 4.653510E-01 1.221380E+04 1.230940E+02 884 129 4.681010E-01 1.214130E+04 1.219680E+02 884 130 4.708510E-01 1.199980E+04 1.215200E+02 884 131 4.736010E-01 1.195110E+04 1.202150E+02 884 132 4.763500E-01 1.168790E+04 1.196990E+02 884 133 4.791000E-01 1.161690E+04 1.207020E+02 884 134 4.818500E-01 1.159310E+04 1.223930E+02 884 135 4.846000E-01 1.160140E+04 1.250370E+02 884 136 4.873490E-01 1.185140E+04 1.261150E+02 884 137 4.900990E-01 1.133480E+04 1.253700E+02 884 138 4.928490E-01 1.096540E+04 1.257540E+02 884 139 4.955990E-01 1.098940E+04 1.253040E+02 884 140 4.983480E-01 1.085240E+04 1.266850E+02 884 141 5.010980E-01 1.083380E+04 1.264960E+02 884 142 5.038480E-01 1.081940E+04 1.276880E+02 884 143 5.065980E-01 1.068290E+04 1.276350E+02 884 144 5.093470E-01 1.060450E+04 1.264330E+02 884 145 5.120970E-01 1.062660E+04 1.293630E+02 884 146 5.148470E-01 1.038320E+04 1.274310E+02 884 147 5.175970E-01 1.031760E+04 1.284430E+02 884 148 5.203460E-01 1.032140E+04 1.283480E+02 884 149 5.230960E-01 1.027270E+04 1.273930E+02 884 150 5.258460E-01 9.971100E+03 1.282000E+02 884 151 5.285960E-01 9.921030E+03 1.269110E+02 884 152 5.313460E-01 9.921940E+03 1.277950E+02 884 153 5.340950E-01 9.645090E+03 1.272630E+02 884 154 5.368450E-01 9.853090E+03 1.271370E+02 884 155 5.395950E-01 9.904880E+03 1.238480E+02 884 156 5.423450E-01 9.544670E+03 1.201390E+02 884 157 5.450940E-01 9.387560E+03 1.187220E+02 884 158 5.478440E-01 9.374230E+03 1.171750E+02 884 159 5.505940E-01 9.366990E+03 1.161030E+02 884 160 5.533440E-01 9.306340E+03 1.149690E+02 884 161 5.560930E-01 9.197070E+03 1.131650E+02 884 162 5.588430E-01 9.118470E+03 1.131490E+02 884 163 5.615930E-01 9.080880E+03 1.117640E+02 884 164 5.643430E-01 8.935700E+03 1.112150E+02 884 165 5.670920E-01 8.793960E+03 1.147310E+02 884 166 5.698420E-01 8.809320E+03 6.679920E+01 884 167 5.725920E-01 8.791970E+03 6.522570E+01 884 168 5.753420E-01 8.788970E+03 6.455940E+01 884 169 5.780910E-01 8.703250E+03 6.398010E+01 884 170 5.808410E-01 8.629500E+03 6.379040E+01 884 171 5.835910E-01 8.501420E+03 6.355500E+01 884 172 5.863410E-01 8.452110E+03 6.333050E+01 884 173 5.890910E-01 8.438250E+03 6.253310E+01 884 174 5.918400E-01 8.428000E+03 6.264080E+01 884 175 5.945900E-01 8.362290E+03 6.208240E+01 884 176 5.973400E-01 8.253140E+03 6.189270E+01 884 177 6.000900E-01 8.235410E+03 6.161760E+01 884 178 6.028390E-01 8.175910E+03 6.071160E+01 884 179 6.055890E-01 8.095450E+03 6.086940E+01 884 180 6.083390E-01 8.020410E+03 6.027950E+01 884 181 6.110890E-01 7.966540E+03 6.032850E+01 884 182 6.138380E-01 7.898370E+03 5.977980E+01 884 183 6.165880E-01 7.741430E+03 5.950920E+01 884 184 6.193380E-01 7.678310E+03 5.908070E+01 884 185 6.220880E-01 7.745440E+03 5.884780E+01 884 186 6.248370E-01 7.696900E+03 5.863210E+01 884 187 6.275870E-01 7.651960E+03 5.808440E+01 884 188 6.303370E-01 7.563760E+03 5.819190E+01 884 189 6.330870E-01 7.449800E+03 5.765100E+01 884 190 6.358360E-01 7.380250E+03 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4.911710E+00 1.173760E+02 7.092490E+01 884 1746 4.914460E+00 1.751900E+02 7.259890E+01 884 1747 4.917210E+00 7.791440E+01 7.272700E+01 884 1748 4.919960E+00 6.115740E+01 7.355360E+01 884 1749 4.922710E+00 1.116060E+02 7.355690E+01 884 1750 4.925460E+00 1.327860E+02 7.393060E+01 884 1751 4.928210E+00 1.864140E+01 7.509910E+01 884 1752 4.930960E+00 1.330830E+02 7.684700E+01 884 1753 4.933710E+00 1.181610E+02 7.779760E+01 884 1754 4.936460E+00 4.748390E+01 7.545350E+01 884 1755 4.939210E+00 1.132380E+02 7.820690E+01 884 1756 4.941960E+00 6.238230E+01 7.953870E+01 884 1757 4.944710E+00 6.436310E+01 7.979830E+01 884 1758 4.947460E+00 6.762290E+01 7.914410E+01 884 1759 4.950210E+00 1.207190E+02 8.083630E+01 884 1760 4.952960E+00 7.483820E+01 8.246030E+01 884 1761 4.955710E+00 7.646840E+01 8.383160E+01 884 1762 4.958460E+00 8.703100E+01 8.249980E+01 884 1763 4.961210E+00 6.564870E+01 8.389950E+01 884 1764 4.963960E+00 -6.660560E+00 8.557380E+01 884 1765 4.966710E+00 4.919360E+00 8.626650E+01 884 1766 4.969460E+00 1.591770E+02 8.583400E+01 884 1767 4.972210E+00 1.347670E+02 8.664950E+01 884 1768 4.974960E+00 1.536340E+02 8.916440E+01 884 1769 4.977710E+00 1.138130E+02 9.133080E+01 884 1770 4.980460E+00 1.530140E+02 9.120170E+01 884 1771 4.983210E+00 1.815250E+02 9.061690E+01 884 1772 4.985960E+00 6.399470E+00 9.425040E+01 884 1773 4.988710E+00 1.047650E+02 9.854740E+01 884 1774 4.991460E+00 2.028080E+02 1.014420E+02 884 1775 4.994210E+00 1.860980E+02 9.966750E+01 884 1776 4.996960E+00 1.458920E+02 1.062530E+02 884 1777 4.999710E+00 1.018130E+02 1.090400E+02 884 1778 5.002460E+00 3.456960E+01 1.138750E+02 884 1779 5.005210E+00 4.433650E+01 1.135820E+02 884 1780 5.007960E+00 2.015190E+01 1.212030E+02 884 1781 5.010710E+00 1.302620E+02 1.280230E+02 884 1782 5.013460E+00 9.815850E+01 1.354770E+02 884 1783 5.016210E+00 1.188310E+02 1.411390E+02 884 1784 5.018960E+00 1.336440E+02 1.453300E+02 884 1785 5.021710E+00 4.815120E+01 1.579990E+02 884 1786 5.024450E+00 -1.096480E+02 1.646830E+02 884 1787 5.027200E+00 -2.951700E+01 1.877150E+02 884 1788 5.029950E+00 -5.316570E+01 2.082800E+02 884 1789 5.032700E+00 8.601010E+01 2.390150E+02 884 # _sas_p_of_R_details.id 884 _sas_p_of_R_details.intensity_id 884 _sas_p_of_R_details.software_p_of_R "GNOM 4.6" _sas_p_of_R_details.number_of_points 400 _sas_p_of_R_details.qmin 0.1189 _sas_p_of_R_details.qmax 3.41 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 400 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 33.0 # 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 884 1 0.000000E+00 0.000000E+00 0.000000E+00 884 2 2.062000E-01 3.452000E+01 0.000000E+00 884 3 4.125000E-01 7.745000E+01 0.000000E+00 884 4 6.187000E-01 1.266000E+02 0.000000E+00 884 5 8.250000E-01 1.789000E+02 0.000000E+00 884 6 1.031000E+00 2.307000E+02 0.000000E+00 884 7 1.237000E+00 2.787000E+02 0.000000E+00 884 8 1.444000E+00 3.201000E+02 0.000000E+00 884 9 1.650000E+00 3.533000E+02 0.000000E+00 884 10 1.856000E+00 3.781000E+02 0.000000E+00 884 11 2.062000E+00 3.951000E+02 0.000000E+00 884 12 2.269000E+00 4.060000E+02 0.000000E+00 884 13 2.475000E+00 4.128000E+02 0.000000E+00 884 14 2.681000E+00 4.176000E+02 0.000000E+00 884 15 2.887000E+00 4.221000E+02 0.000000E+00 884 16 3.094000E+00 4.272000E+02 0.000000E+00 884 17 3.300000E+00 4.334000E+02 0.000000E+00 884 18 3.506000E+00 4.405000E+02 0.000000E+00 884 19 3.712000E+00 4.482000E+02 0.000000E+00 884 20 3.919000E+00 4.559000E+02 0.000000E+00 884 21 4.125000E+00 4.632000E+02 0.000000E+00 884 22 4.331000E+00 4.699000E+02 0.000000E+00 884 23 4.537000E+00 4.760000E+02 0.000000E+00 884 24 4.744000E+00 4.816000E+02 0.000000E+00 884 25 4.950000E+00 4.870000E+02 0.000000E+00 884 26 5.156000E+00 4.923000E+02 0.000000E+00 884 27 5.362000E+00 4.977000E+02 0.000000E+00 884 28 5.569000E+00 5.031000E+02 0.000000E+00 884 29 5.775000E+00 5.083000E+02 0.000000E+00 884 30 5.981000E+00 5.131000E+02 0.000000E+00 884 31 6.188000E+00 5.172000E+02 0.000000E+00 884 32 6.394000E+00 5.205000E+02 0.000000E+00 884 33 6.600000E+00 5.229000E+02 0.000000E+00 884 34 6.806000E+00 5.245000E+02 0.000000E+00 884 35 7.012000E+00 5.252000E+02 0.000000E+00 884 36 7.219000E+00 5.253000E+02 0.000000E+00 884 37 7.425000E+00 5.248000E+02 0.000000E+00 884 38 7.631000E+00 5.240000E+02 0.000000E+00 884 39 7.837000E+00 5.228000E+02 0.000000E+00 884 40 8.044000E+00 5.215000E+02 0.000000E+00 884 41 8.250000E+00 5.200000E+02 0.000000E+00 884 42 8.456000E+00 5.182000E+02 0.000000E+00 884 43 8.662000E+00 5.161000E+02 0.000000E+00 884 44 8.869000E+00 5.135000E+02 0.000000E+00 884 45 9.075000E+00 5.103000E+02 0.000000E+00 884 46 9.281000E+00 5.065000E+02 0.000000E+00 884 47 9.487000E+00 5.021000E+02 0.000000E+00 884 48 9.694000E+00 4.971000E+02 0.000000E+00 884 49 9.900000E+00 4.918000E+02 0.000000E+00 884 50 1.011000E+01 4.863000E+02 0.000000E+00 884 51 1.031000E+01 4.807000E+02 0.000000E+00 884 52 1.052000E+01 4.753000E+02 0.000000E+00 884 53 1.072000E+01 4.699000E+02 0.000000E+00 884 54 1.093000E+01 4.644000E+02 0.000000E+00 884 55 1.114000E+01 4.586000E+02 0.000000E+00 884 56 1.134000E+01 4.525000E+02 0.000000E+00 884 57 1.155000E+01 4.459000E+02 0.000000E+00 884 58 1.176000E+01 4.390000E+02 0.000000E+00 884 59 1.196000E+01 4.319000E+02 0.000000E+00 884 60 1.217000E+01 4.247000E+02 0.000000E+00 884 61 1.238000E+01 4.176000E+02 0.000000E+00 884 62 1.258000E+01 4.107000E+02 0.000000E+00 884 63 1.279000E+01 4.040000E+02 0.000000E+00 884 64 1.299000E+01 3.975000E+02 0.000000E+00 884 65 1.320000E+01 3.911000E+02 0.000000E+00 884 66 1.341000E+01 3.846000E+02 0.000000E+00 884 67 1.361000E+01 3.779000E+02 0.000000E+00 884 68 1.382000E+01 3.712000E+02 0.000000E+00 884 69 1.402000E+01 3.645000E+02 0.000000E+00 884 70 1.423000E+01 3.579000E+02 0.000000E+00 884 71 1.444000E+01 3.515000E+02 0.000000E+00 884 72 1.464000E+01 3.454000E+02 0.000000E+00 884 73 1.485000E+01 3.395000E+02 0.000000E+00 884 74 1.506000E+01 3.338000E+02 0.000000E+00 884 75 1.526000E+01 3.282000E+02 0.000000E+00 884 76 1.547000E+01 3.226000E+02 0.000000E+00 884 77 1.567000E+01 3.169000E+02 0.000000E+00 884 78 1.588000E+01 3.112000E+02 0.000000E+00 884 79 1.609000E+01 3.055000E+02 0.000000E+00 884 80 1.629000E+01 2.998000E+02 0.000000E+00 884 81 1.650000E+01 2.942000E+02 0.000000E+00 884 82 1.671000E+01 2.887000E+02 0.000000E+00 884 83 1.691000E+01 2.832000E+02 0.000000E+00 884 84 1.712000E+01 2.776000E+02 0.000000E+00 884 85 1.732000E+01 2.720000E+02 0.000000E+00 884 86 1.753000E+01 2.662000E+02 0.000000E+00 884 87 1.774000E+01 2.604000E+02 0.000000E+00 884 88 1.794000E+01 2.545000E+02 0.000000E+00 884 89 1.815000E+01 2.486000E+02 0.000000E+00 884 90 1.836000E+01 2.429000E+02 0.000000E+00 884 91 1.856000E+01 2.375000E+02 0.000000E+00 884 92 1.877000E+01 2.322000E+02 0.000000E+00 884 93 1.897000E+01 2.272000E+02 0.000000E+00 884 94 1.918000E+01 2.224000E+02 0.000000E+00 884 95 1.939000E+01 2.177000E+02 0.000000E+00 884 96 1.959000E+01 2.132000E+02 0.000000E+00 884 97 1.980000E+01 2.087000E+02 0.000000E+00 884 98 2.001000E+01 2.043000E+02 0.000000E+00 884 99 2.021000E+01 1.999000E+02 0.000000E+00 884 100 2.042000E+01 1.957000E+02 0.000000E+00 884 101 2.062000E+01 1.914000E+02 0.000000E+00 884 102 2.083000E+01 1.871000E+02 0.000000E+00 884 103 2.104000E+01 1.828000E+02 0.000000E+00 884 104 2.124000E+01 1.786000E+02 0.000000E+00 884 105 2.145000E+01 1.743000E+02 0.000000E+00 884 106 2.166000E+01 1.700000E+02 0.000000E+00 884 107 2.186000E+01 1.657000E+02 0.000000E+00 884 108 2.207000E+01 1.615000E+02 0.000000E+00 884 109 2.227000E+01 1.573000E+02 0.000000E+00 884 110 2.248000E+01 1.532000E+02 0.000000E+00 884 111 2.269000E+01 1.491000E+02 0.000000E+00 884 112 2.289000E+01 1.450000E+02 0.000000E+00 884 113 2.310000E+01 1.411000E+02 0.000000E+00 884 114 2.331000E+01 1.372000E+02 0.000000E+00 884 115 2.351000E+01 1.334000E+02 0.000000E+00 884 116 2.372000E+01 1.298000E+02 0.000000E+00 884 117 2.392000E+01 1.264000E+02 0.000000E+00 884 118 2.413000E+01 1.230000E+02 0.000000E+00 884 119 2.434000E+01 1.198000E+02 0.000000E+00 884 120 2.454000E+01 1.165000E+02 0.000000E+00 884 121 2.475000E+01 1.133000E+02 0.000000E+00 884 122 2.496000E+01 1.100000E+02 0.000000E+00 884 123 2.516000E+01 1.066000E+02 0.000000E+00 884 124 2.537000E+01 1.032000E+02 0.000000E+00 884 125 2.557000E+01 9.991000E+01 0.000000E+00 884 126 2.578000E+01 9.663000E+01 0.000000E+00 884 127 2.599000E+01 9.344000E+01 0.000000E+00 884 128 2.619000E+01 9.031000E+01 0.000000E+00 884 129 2.640000E+01 8.721000E+01 0.000000E+00 884 130 2.661000E+01 8.409000E+01 0.000000E+00 884 131 2.681000E+01 8.092000E+01 0.000000E+00 884 132 2.702000E+01 7.768000E+01 0.000000E+00 884 133 2.722000E+01 7.437000E+01 0.000000E+00 884 134 2.743000E+01 7.104000E+01 0.000000E+00 884 135 2.764000E+01 6.773000E+01 0.000000E+00 884 136 2.784000E+01 6.447000E+01 0.000000E+00 884 137 2.805000E+01 6.129000E+01 0.000000E+00 884 138 2.826000E+01 5.819000E+01 0.000000E+00 884 139 2.846000E+01 5.518000E+01 0.000000E+00 884 140 2.867000E+01 5.221000E+01 0.000000E+00 884 141 2.888000E+01 4.928000E+01 0.000000E+00 884 142 2.908000E+01 4.638000E+01 0.000000E+00 884 143 2.929000E+01 4.350000E+01 0.000000E+00 884 144 2.949000E+01 4.066000E+01 0.000000E+00 884 145 2.970000E+01 3.788000E+01 0.000000E+00 884 146 2.991000E+01 3.519000E+01 0.000000E+00 884 147 3.011000E+01 3.261000E+01 0.000000E+00 884 148 3.032000E+01 3.015000E+01 0.000000E+00 884 149 3.052000E+01 2.782000E+01 0.000000E+00 884 150 3.073000E+01 2.561000E+01 0.000000E+00 884 151 3.094000E+01 2.351000E+01 0.000000E+00 884 152 3.114000E+01 2.150000E+01 0.000000E+00 884 153 3.135000E+01 1.953000E+01 0.000000E+00 884 154 3.156000E+01 1.758000E+01 0.000000E+00 884 155 3.176000E+01 1.557000E+01 0.000000E+00 884 156 3.197000E+01 1.346000E+01 0.000000E+00 884 157 3.217000E+01 1.121000E+01 0.000000E+00 884 158 3.238000E+01 8.763000E+00 0.000000E+00 884 159 3.259000E+01 6.095000E+00 0.000000E+00 884 160 3.279000E+01 3.181000E+00 0.000000E+00 884 161 3.300000E+01 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 884 1 0.000000E+00 1.118000E+05 884 2 8.492000E-03 1.116000E+05 884 3 1.698000E-02 1.109000E+05 884 4 2.547000E-02 1.097000E+05 884 5 3.397000E-02 1.081000E+05 884 6 4.246000E-02 1.060000E+05 884 7 5.095000E-02 1.036000E+05 884 8 5.944000E-02 1.009000E+05 884 9 6.793000E-02 9.782000E+04 884 10 7.642000E-02 9.451000E+04 884 11 8.492000E-02 9.100000E+04 884 12 9.341000E-02 8.732000E+04 884 13 1.019000E-01 8.354000E+04 884 14 1.104000E-01 7.970000E+04 884 15 1.189000E-01 7.585000E+04 884 16 1.271000E-01 7.213000E+04 884 17 1.354000E-01 6.847000E+04 884 18 1.436000E-01 6.490000E+04 884 19 1.519000E-01 6.144000E+04 884 20 1.601000E-01 5.813000E+04 884 21 1.684000E-01 5.496000E+04 884 22 1.766000E-01 5.197000E+04 884 23 1.849000E-01 4.914000E+04 884 24 1.931000E-01 4.649000E+04 884 25 2.014000E-01 4.402000E+04 884 26 2.096000E-01 4.172000E+04 884 27 2.179000E-01 3.959000E+04 884 28 2.261000E-01 3.761000E+04 884 29 2.344000E-01 3.578000E+04 884 30 2.426000E-01 3.409000E+04 884 31 2.509000E-01 3.252000E+04 884 32 2.591000E-01 3.106000E+04 884 33 2.674000E-01 2.970000E+04 884 34 2.756000E-01 2.843000E+04 884 35 2.839000E-01 2.724000E+04 884 36 2.921000E-01 2.612000E+04 884 37 3.004000E-01 2.507000E+04 884 38 3.086000E-01 2.407000E+04 884 39 3.169000E-01 2.312000E+04 884 40 3.251000E-01 2.221000E+04 884 41 3.334000E-01 2.135000E+04 884 42 3.416000E-01 2.053000E+04 884 43 3.499000E-01 1.975000E+04 884 44 3.581000E-01 1.900000E+04 884 45 3.664000E-01 1.829000E+04 884 46 3.746000E-01 1.762000E+04 884 47 3.829000E-01 1.698000E+04 884 48 3.911000E-01 1.638000E+04 884 49 3.994000E-01 1.581000E+04 884 50 4.076000E-01 1.527000E+04 884 51 4.159000E-01 1.476000E+04 884 52 4.241000E-01 1.428000E+04 884 53 4.324000E-01 1.384000E+04 884 54 4.406000E-01 1.341000E+04 884 55 4.489000E-01 1.302000E+04 884 56 4.571000E-01 1.264000E+04 884 57 4.654000E-01 1.228000E+04 884 58 4.736000E-01 1.195000E+04 884 59 4.819000E-01 1.162000E+04 884 60 4.901000E-01 1.132000E+04 884 61 4.983000E-01 1.102000E+04 884 62 5.066000E-01 1.074000E+04 884 63 5.148000E-01 1.047000E+04 884 64 5.231000E-01 1.021000E+04 884 65 5.313000E-01 9.952000E+03 884 66 5.396000E-01 9.707000E+03 884 67 5.478000E-01 9.471000E+03 884 68 5.561000E-01 9.243000E+03 884 69 5.643000E-01 9.023000E+03 884 70 5.726000E-01 8.811000E+03 884 71 5.808000E-01 8.607000E+03 884 72 5.891000E-01 8.411000E+03 884 73 5.973000E-01 8.223000E+03 884 74 6.056000E-01 8.042000E+03 884 75 6.138000E-01 7.869000E+03 884 76 6.221000E-01 7.704000E+03 884 77 6.303000E-01 7.545000E+03 884 78 6.386000E-01 7.392000E+03 884 79 6.468000E-01 7.245000E+03 884 80 6.551000E-01 7.104000E+03 884 81 6.633000E-01 6.968000E+03 884 82 6.716000E-01 6.836000E+03 884 83 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3.344000E+00 1.566000E+02 884 407 3.353000E+00 1.558000E+02 884 408 3.361000E+00 1.551000E+02 884 409 3.369000E+00 1.544000E+02 884 410 3.377000E+00 1.536000E+02 884 411 3.386000E+00 1.528000E+02 884 412 3.394000E+00 1.521000E+02 884 413 3.402000E+00 1.513000E+02 884 414 3.410000E+00 1.505000E+02 # data_SASDDM5_FIT_1359 # _sas_model_fitting_details.id 1359 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 2.448 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 884 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 1359 1 1.189000E-02 7.655000E+04 7.606310E+04 1359 2 1.271000E-02 7.248000E+04 7.225520E+04 1359 3 1.354000E-02 6.847000E+04 6.845650E+04 1359 4 1.436000E-02 6.444000E+04 6.479850E+04 1359 5 1.519000E-02 6.150000E+04 6.122550E+04 1359 6 1.601000E-02 5.844000E+04 5.784950E+04 1359 7 1.684000E-02 5.543000E+04 5.460840E+04 1359 8 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2.267000E+02 2.290340E+02 1359 322 2.767000E-01 2.073000E+02 2.279720E+02 1359 323 2.775000E-01 2.277000E+02 2.268580E+02 1359 324 2.783000E-01 2.209000E+02 2.256980E+02 1359 325 2.792000E-01 2.066000E+02 2.243430E+02 1359 326 2.800000E-01 2.207000E+02 2.230990E+02 1359 327 2.808000E-01 2.313000E+02 2.218250E+02 1359 328 2.816000E-01 2.365000E+02 2.205230E+02 1359 329 2.825000E-01 2.106000E+02 2.190340E+02 1359 330 2.833000E-01 2.273000E+02 2.176910E+02 1359 331 2.841000E-01 2.202000E+02 2.163370E+02 1359 332 2.849000E-01 2.349000E+02 2.149740E+02 1359 333 2.858000E-01 2.036000E+02 2.134360E+02 1359 334 2.866000E-01 2.245000E+02 2.120690E+02 1359 335 2.874000E-01 2.297000E+02 2.107050E+02 1359 336 2.882000E-01 2.178000E+02 2.093490E+02 1359 337 2.891000E-01 2.335000E+02 2.078370E+02 1359 338 2.899000E-01 2.084000E+02 2.065070E+02 1359 339 2.907000E-01 2.242000E+02 2.051940E+02 1359 340 2.915000E-01 1.859000E+02 2.039000E+02 1359 341 2.924000E-01 1.986000E+02 2.024720E+02 1359 342 2.932000E-01 2.072000E+02 2.012300E+02 1359 343 2.940000E-01 1.870000E+02 2.000160E+02 1359 344 2.948000E-01 2.162000E+02 1.988310E+02 1359 345 2.957000E-01 2.031000E+02 1.975370E+02 1359 346 2.965000E-01 2.020000E+02 1.964150E+02 1359 347 2.973000E-01 2.260000E+02 1.953160E+02 1359 348 2.981000E-01 1.972000E+02 1.942340E+02 1359 349 2.990000E-01 1.875000E+02 1.930300E+02 1359 350 2.998000E-01 1.824000E+02 1.919670E+02 1359 351 3.006000E-01 1.922000E+02 1.909070E+02 1359 352 3.014000E-01 2.105000E+02 1.898440E+02 1359 353 3.023000E-01 1.867000E+02 1.886410E+02 1359 354 3.031000E-01 2.078000E+02 1.875600E+02 1359 355 3.039000E-01 1.888000E+02 1.864650E+02 1359 356 3.047000E-01 1.876000E+02 1.853520E+02 1359 357 3.056000E-01 1.823000E+02 1.840890E+02 1359 358 3.064000E-01 1.924000E+02 1.829690E+02 1359 359 3.072000E-01 1.805000E+02 1.818650E+02 1359 360 3.080000E-01 1.645000E+02 1.807870E+02 1359 361 3.089000E-01 1.761000E+02 1.796190E+02 1359 362 3.097000E-01 1.760000E+02 1.786330E+02 1359 363 3.105000E-01 1.824000E+02 1.777040E+02 1359 364 3.113000E-01 1.695000E+02 1.768430E+02 1359 365 3.122000E-01 1.854000E+02 1.759670E+02 1359 366 3.130000E-01 1.677000E+02 1.752810E+02 1359 367 3.138000E-01 1.810000E+02 1.746890E+02 1359 368 3.146000E-01 1.678000E+02 1.741890E+02 1359 369 3.155000E-01 1.752000E+02 1.737200E+02 1359 370 3.163000E-01 1.713000E+02 1.733720E+02 1359 371 3.171000E-01 1.551000E+02 1.730760E+02 1359 372 3.179000E-01 1.572000E+02 1.728200E+02 1359 373 3.188000E-01 1.657000E+02 1.725650E+02 1359 374 3.196000E-01 1.604000E+02 1.723550E+02 1359 375 3.204000E-01 1.499000E+02 1.721480E+02 1359 376 3.212000E-01 1.745000E+02 1.719340E+02 1359 377 3.221000E-01 1.725000E+02 1.716690E+02 1359 378 3.229000E-01 1.700000E+02 1.714000E+02 1359 379 3.237000E-01 1.312000E+02 1.710970E+02 1359 380 3.245000E-01 1.734000E+02 1.707700E+02 1359 381 3.254000E-01 1.723000E+02 1.703840E+02 1359 382 3.262000E-01 1.579000E+02 1.700360E+02 1359 383 3.270000E-01 1.718000E+02 1.696920E+02 1359 384 3.278000E-01 1.608000E+02 1.693610E+02 1359 385 3.287000E-01 1.416000E+02 1.690170E+02 1359 386 3.295000E-01 1.624000E+02 1.687460E+02 1359 387 3.303000E-01 1.571000E+02 1.685150E+02 1359 388 3.311000E-01 1.549000E+02 1.683340E+02 1359 389 3.320000E-01 1.692000E+02 1.682010E+02 1359 390 3.328000E-01 1.583000E+02 1.681510E+02 1359 391 3.336000E-01 1.846000E+02 1.681630E+02 1359 392 3.344000E-01 1.614000E+02 1.682340E+02 1359 393 3.353000E-01 1.469000E+02 1.683800E+02 1359 394 3.361000E-01 1.393000E+02 1.685670E+02 1359 395 3.369000E-01 1.879000E+02 1.688040E+02 1359 396 3.377000E-01 1.901000E+02 1.690890E+02 1359 397 3.386000E-01 1.560000E+02 1.694640E+02 1359 398 3.394000E-01 1.766000E+02 1.698420E+02 1359 399 3.402000E-01 1.337000E+02 1.702600E+02 1359 400 3.410000E-01 1.250000E+02 1.707160E+02 # data_SASDDM5_MODEL_1896 # _sas_model.id 1896 _sas_model.type_of_model dummy _sas_model.version 5.0 _sas_model.symmetry . _sas_model.comment . _sas_model.fitting_id 1359 _sas_model.radius 7.75 # 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 . 1896 1 . 42.083 -36.546 10.843 3.19 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 2 . CA . ASP . 1896 1 . 30.504 -40.647 1.390 3.00 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 3 . CA . ASP . 1896 1 . 25.555 -30.814 -9.521 2.92 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 4 . CA . ASP . 1896 1 . -2.845 17.304 -8.320 2.89 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 5 . CA . ASP . 1896 1 . -18.186 -3.660 -31.264 2.77 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 6 . CA . ASP . 1896 1 . -12.632 52.784 39.106 2.76 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 7 . CA . ASP . 1896 1 . -6.607 0.441 -21.811 2.68 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 8 . CA . ASP . 1896 1 . 19.709 -40.770 -48.871 2.68 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 9 . CA . ASP . 1896 1 . -16.395 35.921 25.615 2.66 20.00 ? ? ? ? ? . 1 ASP . CA 1896 ATOM 10 . CA . ASP . 1896 2 . -23.316 68.473 58.092 2.62 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 11 . CA . ASP . 1896 2 . -36.797 8.978 -77.487 2.61 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 12 . CA . ASP . 1896 2 . -13.528 32.993 10.666 2.45 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 13 . CA . ASP . 1896 2 . -34.714 2.072 -51.628 2.44 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 14 . CA . ASP . 1896 2 . -15.319 -6.588 -46.212 2.42 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 15 . CA . ASP . 1896 2 . 63.562 -52.111 42.118 2.39 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 16 . CA . ASP . 1896 2 . 5.264 -41.944 -43.376 2.38 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 17 . CA . ASP . 1896 2 . -43.426 -4.957 -76.029 2.36 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 18 . CA . ASP . 1896 2 . 0.314 -32.110 -54.287 2.35 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 19 . CA . ASP . 1896 2 . 24.659 -50.604 -37.960 2.32 20.00 ? ? ? ? ? . 2 ASP . CA 1896 ATOM 20 . CA . ASP . 1896 3 . -27.078 51.610 44.601 2.31 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 21 . CA . ASP . 1896 3 . 108.086 -75.287 23.052 2.30 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 22 . CA . ASP . 1896 3 . -9.766 49.855 24.157 2.30 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 23 . CA . ASP . 1896 3 . -36.866 87.089 92.026 2.28 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 24 . CA . ASP . 1896 3 . 44.950 -39.473 -4.106 2.25 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 25 . CA . ASP . 1896 3 . 47.033 -46.379 21.754 2.23 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 26 . CA . ASP . 1896 3 . 53.662 -32.444 20.296 2.21 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 27 . CA . ASP . 1896 3 . 58.612 -42.277 31.207 2.19 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 28 . CA . ASP . 1896 3 . 51.983 -56.213 32.665 2.17 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 29 . CA . ASP . 1896 3 . -7.502 -19.349 -50.250 2.17 20.00 ? ? ? ? ? . 3 ASP . CA 1896 ATOM 30 . CA . ASP . 1896 4 . 49.900 -49.307 6.805 2.16 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 31 . CA . ASP . 1896 4 . 80.874 -53.866 21.674 2.16 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 32 . CA . ASP . 1896 4 . 61.478 -45.206 16.258 2.16 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 33 . CA . ASP . 1896 4 . 115.902 -88.048 19.014 2.14 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 34 . CA . ASP . 1896 4 . 56.529 -35.372 5.347 2.14 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 35 . CA . ASP . 1896 4 . 4.972 4.543 -12.357 2.12 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 36 . CA . ASP . 1896 4 . 96.507 -79.388 13.599 2.09 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 37 . CA . ASP . 1896 4 . 33.371 -43.575 -13.559 2.09 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 38 . CA . ASP . 1896 4 . 11.893 -28.009 -44.834 2.06 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 39 . CA . ASP . 1896 4 . 8.734 21.405 1.133 2.06 20.00 ? ? ? ? ? . 4 ASP . CA 1896 ATOM 40 . CA . ASP . 1896 5 . 85.823 -63.699 32.585 2.05 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 41 . CA . ASP . 1896 5 . 28.421 -33.741 -24.470 2.03 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 42 . CA . ASP . 1896 5 . -26.002 9.101 -27.226 2.02 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 43 . CA . ASP . 1896 5 . 3.784 31.239 -9.778 2.00 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 44 . CA . ASP . 1896 5 . -29.765 -7.761 -40.717 2.00 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 45 . CA . ASP . 1896 5 . -31.848 -0.855 -66.576 2.00 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 46 . CA . ASP . 1896 5 . -23.136 6.173 -42.175 1.96 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 47 . CA . ASP . 1896 5 . 35.454 -50.481 12.301 1.96 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 48 . CA . ASP . 1896 5 . -20.449 65.545 43.143 1.96 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 49 . CA . ASP . 1896 5 . 93.640 -76.460 28.547 1.96 20.00 ? ? ? ? ? . 5 ASP . CA 1896 ATOM 50 . CA . ASP . 1896 6 . -28.981 -3.783 -81.525 1.92 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 51 . CA . ASP . 1896 6 . 1.209 -12.320 -25.848 1.91 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 52 . CA . ASP . 1896 6 . -1.949 37.094 20.119 1.86 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 53 . CA . ASP . 1896 6 . 20.605 -20.980 -20.432 1.86 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 54 . CA . ASP . 1896 6 . -4.816 40.022 35.068 1.84 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 55 . CA . ASP . 1896 6 . 13.080 -54.705 -47.413 1.78 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 56 . CA . ASP . 1896 6 . 78.007 -50.937 36.623 1.78 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 57 . CA . ASP . 1896 6 . 11.601 18.478 -13.815 1.77 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 58 . CA . ASP . 1896 6 . -38.837 109.807 135.414 1.76 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 59 . CA . ASP . 1896 6 . -48.376 4.877 -86.940 1.75 20.00 ? ? ? ? ? . 6 ASP . CA 1896 ATOM 60 . CA . ASP . 1896 7 . -13.236 -13.494 -20.353 1.74 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 61 . CA . ASP . 1896 7 . -51.243 7.804 -71.992 1.74 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 62 . CA . ASP . 1896 7 . -2.553 -29.182 -39.339 1.72 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 63 . CA . ASP . 1896 7 . -5.711 20.232 6.629 1.72 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 64 . CA . ASP . 1896 7 . -41.747 18.812 -88.398 1.70 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 65 . CA . ASP . 1896 7 . 23.472 -23.908 -35.381 1.68 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 66 . CA . ASP . 1896 7 . -10.369 -16.421 -35.301 1.67 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 67 . CA . ASP . 1896 7 . 54.849 -59.141 17.716 1.67 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 68 . CA . ASP . 1896 7 . -9.474 3.369 -6.862 1.67 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 69 . CA . ASP . 1896 7 . -26.898 -10.689 -55.665 1.64 20.00 ? ? ? ? ? . 7 ASP . CA 1896 ATOM 70 . CA . ASP . 1896 8 . -11.557 10.275 -32.722 1.63 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 71 . CA . ASP . 1896 8 . -12.452 -9.515 -61.161 1.62 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 72 . CA . ASP . 1896 8 . 88.690 -66.627 17.636 1.61 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 73 . CA . ASP . 1896 8 . -31.132 81.234 62.129 1.61 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 74 . CA . ASP . 1896 8 . -48.445 82.988 82.573 1.60 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 75 . CA . ASP . 1896 8 . -24.815 -17.595 -29.806 1.60 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 76 . CA . ASP . 1896 8 . -10.661 30.065 -4.282 1.59 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 77 . CA . ASP . 1896 8 . 37.133 -26.712 -0.068 1.58 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 78 . CA . ASP . 1896 8 . -35.970 106.880 120.466 1.56 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 79 . CA . ASP . 1896 8 . 92.453 -49.764 31.127 1.54 20.00 ? ? ? ? ? . 8 ASP . CA 1896 ATOM 80 . CA . ASP . 1896 9 . 73.057 -41.104 25.712 1.53 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 81 . CA . ASP . 1896 9 . 113.035 -85.120 33.963 1.51 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 82 . CA . ASP . 1896 9 . 22.688 -27.886 5.427 1.50 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 83 . CA . ASP . 1896 9 . -14.423 13.203 -17.773 1.49 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 84 . CA . ASP . 1896 9 . -15.499 55.711 54.054 1.48 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 85 . CA . ASP . 1896 9 . 0.917 34.167 5.171 1.47 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 86 . CA . ASP . 1896 9 . -17.290 16.131 -2.824 1.47 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 87 . CA . ASP . 1896 9 . 18.926 -44.748 -8.063 1.47 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 88 . CA . ASP . 1896 9 . 110.952 -78.214 8.103 1.46 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 89 . CA . ASP . 1896 9 . 4.076 -15.248 -40.797 1.46 20.00 ? ? ? ? ? . 9 ASP . CA 1896 ATOM 90 . CA . ASP . 1896 10 . 100.269 -62.526 27.089 1.45 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 91 . CA . ASP . 1896 10 . 0.022 14.377 -23.268 1.45 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 92 . CA . ASP . 1896 10 . -21.345 45.754 14.704 1.45 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 93 . CA . ASP . 1896 10 . -24.211 48.682 29.652 1.44 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 94 . CA . ASP . 1896 10 . -20.269 3.246 -57.123 1.42 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 95 . CA . ASP . 1896 10 . 8.131 -44.871 -58.324 1.39 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 96 . CA . ASP . 1896 10 . -21.053 -0.733 -16.315 1.38 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 97 . CA . ASP . 1896 10 . 9.026 -25.081 -29.886 1.38 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 98 . CA . ASP . 1896 10 . -33.999 84.161 77.078 1.38 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 99 . CA . ASP . 1896 10 . -4.636 -22.277 -65.198 1.38 20.00 ? ? ? ? ? . 10 ASP . CA 1896 ATOM 100 . CA . ASP . 1896 11 . 122.531 -74.113 17.556 1.37 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 101 . CA . ASP . 1896 11 . 66.428 -55.039 27.169 1.35 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 102 . CA . ASP . 1896 11 . -21.948 -20.523 -44.754 1.35 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 103 . CA . ASP . 1896 11 . 27.638 -37.719 16.338 1.34 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 104 . CA . ASP . 1896 11 . -8.578 23.159 21.577 1.33 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 105 . CA . ASP . 1896 11 . 40.000 -29.640 -15.017 1.32 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 106 . CA . ASP . 1896 11 . 101.457 -89.222 24.510 1.31 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 107 . CA . ASP . 1896 11 . 51.579 -25.539 -5.564 1.31 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 108 . CA . ASP . 1896 11 . 48.712 -22.610 9.385 1.30 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 109 . CA . ASP . 1896 11 . -26.183 71.400 73.040 1.29 20.00 ? ? ? ? ? . 11 ASP . CA 1896 ATOM 110 . CA . ASP . 1896 12 . 105.219 -72.359 38.000 1.26 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 111 . CA . ASP . 1896 12 . 6.943 -18.175 -55.745 1.25 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 112 . CA . ASP . 1896 12 . -44.614 21.739 -73.450 1.24 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 113 . CA . ASP . 1896 12 . 11.109 -31.987 -4.026 1.23 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 114 . CA . ASP . 1896 12 . 7.838 1.615 -27.306 1.22 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 115 . CA . ASP . 1896 12 . -22.352 10.152 -82.983 1.22 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 116 . CA . ASP . 1896 12 . -32.631 -4.834 -25.768 1.20 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 117 . CA . ASP . 1896 12 . -38.477 -14.790 -65.118 1.20 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 118 . CA . ASP . 1896 12 . -37.581 5.000 -36.679 1.19 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 119 . CA . ASP . 1896 12 . 13.976 -34.915 -18.974 1.18 20.00 ? ? ? ? ? . 12 ASP . CA 1896 ATOM 120 . CA . ASP . 1896 13 . -0.874 -5.414 -51.708 1.18 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 121 . CA . ASP . 1896 13 . 2.105 7.471 2.591 1.17 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 122 . CA . ASP . 1896 13 . -27.258 113.909 144.867 1.16 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 123 . CA . ASP . 1896 13 . 40.404 -60.314 23.212 1.15 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 124 . CA . ASP . 1896 13 . -37.761 67.299 63.587 1.15 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 125 . CA . ASP . 1896 13 . -57.872 -6.130 -70.534 1.15 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 126 . CA . ASP . 1896 13 . 16.843 -37.842 -33.923 1.13 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 127 . CA . ASP . 1896 13 . -50.055 -18.891 -74.571 1.13 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 128 . CA . ASP . 1896 13 . -33.887 99.974 146.325 1.12 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 129 . CA . ASP . 1896 13 . -55.005 -9.058 -85.482 1.12 20.00 ? ? ? ? ? . 13 ASP . CA 1896 ATOM 130 . CA . ASP . 1896 14 . -34.895 64.371 48.639 1.11 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 131 . CA . ASP . 1896 14 . 48.221 -73.075 19.174 1.10 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 132 . CA . ASP . 1896 14 . -17.402 0.318 -72.072 1.10 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 133 . CA . ASP . 1896 14 . 45.354 -70.148 34.123 1.09 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 134 . CA . ASP . 1896 14 . -8.690 7.347 -47.670 1.08 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 135 . CA . ASP . 1896 14 . 27.526 -53.531 -52.909 1.07 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 136 . CA . ASP . 1896 14 . -29.945 54.538 59.550 1.06 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 137 . CA . ASP . 1896 14 . 119.664 -71.186 32.505 1.06 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 138 . CA . ASP . 1896 14 . -5.823 4.419 -62.619 1.05 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 139 . CA . ASP . 1896 14 . 82.061 -80.562 19.094 1.04 20.00 ? ? ? ? ? . 14 ASP . CA 1896 ATOM 140 . CA . ASP . 1896 15 . -30.168 22.913 -78.945 1.03 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 141 . CA . ASP . 1896 15 . -44.682 99.850 96.064 1.03 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 142 . CA . ASP . 1896 15 . -36.754 102.901 161.274 1.03 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 143 . CA . ASP . 1896 15 . 19.417 5.717 -17.852 1.03 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 144 . CA . ASP . 1896 15 . -3.740 -2.487 -36.759 1.02 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 145 . CA . ASP . 1896 15 . -22.240 25.964 -13.735 1.02 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 146 . CA . ASP . 1896 15 . -22.309 104.075 155.778 1.02 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 147 . CA . ASP . 1896 15 . -25.175 107.003 170.727 1.00 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 148 . CA . ASP . 1896 15 . -56.193 17.638 -82.903 1.00 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 149 . CA . ASP . 1896 15 . -49.564 31.573 -84.361 0.99 20.00 ? ? ? ? ? . 15 ASP . CA 1896 ATOM 150 . CA . ASP . 1896 16 . -19.262 38.848 40.563 0.99 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 151 . CA . ASP . 1896 16 . 98.590 -86.294 39.458 0.99 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 152 . CA . ASP . 1896 16 . -46.293 -2.029 -61.081 0.99 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 153 . CA . ASP . 1896 16 . -51.311 85.915 97.522 0.98 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 154 . CA . ASP . 1896 16 . -41.704 112.735 150.363 0.97 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 155 . CA . ASP . 1896 16 . 1.813 53.957 33.610 0.96 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 156 . CA . ASP . 1896 16 . 21.792 -47.676 -23.012 0.95 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 157 . CA . ASP . 1896 16 . 87.503 -39.930 20.216 0.94 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 158 . CA . ASP . 1896 16 . -5.419 -26.255 -24.390 0.93 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 159 . CA . ASP . 1896 16 . 32.184 -16.879 -10.979 0.93 20.00 ? ? ? ? ? . 16 ASP . CA 1896 ATOM 160 . CA . ASP . 1896 17 . 127.481 -83.947 28.467 0.93 20.00 ? ? ? ? ? . 17 ASP . CA 1896 ATOM 161 . CA . ASP . 1896 17 . 43.271 -63.242 8.263 0.92 20.00 ? ? ? ? ? . 17 ASP . CA 1896 ATOM 162 . CA . ASP . 1896 17 . -6.315 -46.045 -52.829 0.92 20.00 ? ? ? ? ? . 17 ASP . CA 1896 ATOM 163 . CA . ASP . 1896 17 . -47.549 102.778 111.013 0.92 20.00 ? ? ? ? ? . 17 ASP . CA 1896 #