data_SASDDL3_MAIN # _sas_result.id 819 _sas_result.SASBDB_code SASDDL3 _sas_result.experimental_MW 17.400 _sas_result.experimental_MW_error . _sas_result.MW_standard 17.400 _sas_result.MW_standard_error . _sas_result.MW_Porod 10.000 _sas_result.MW_Porod_error . _sas_result.I0_from_PR 626.3000000000 _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 629.7100000000 _sas_result.I0_from_Guinier_error 2.2100000000 _sas_result.Rg_from_PR 1.610 _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 1.610 _sas_result.Rg_from_Guinier_error 0.060 _sas_result.D_max 5.56 _sas_result.Porod_volume 15.90 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 22 _sas_result.Guinier_point_max 379 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "Folded ribonuclease A (RNAse)" _sas_scan.detc_id 4 _sas_scan.id 819 _sas_scan.measurement_date 2013-07-29 _sas_scan.storage_temperature 10.0 _sas_scan.cell_temperature 10.0 _sas_scan.exposure_time 0.050 _sas_scan.number_of_frames 2 _sas_scan.unit 1/nm _sas_scan.qmin 0.0536 _sas_scan.qmax 3.4949 _sas_scan.sample_id 779 _sas_scan.result_id 819 _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 779 _sas_sample.name "Folded ribonuclease A (RNAse)" _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 5.24 _sas_sample.concentration_method . _sas_sample.entity_id 17 # _sas_buffer.id 474 _sas_buffer.name "phosphate buffered saline (PBS)" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.000 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 779 # _entity.id 17 _entity.type protein _entity.pdbx_description "Ribonuclease pancreatic" _entity.formula_weight 16.460 _entity.pdbx_number_of_molecules 1 # _entity_name_com.entity_id 17 _entity_name_com.name RNase # _entity_poly.entity_id 17 _entity_poly.pdbx_seq_one_letter_code ;MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRN LTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPN CAYKTTQANKHIIVACEGNPYVPVHFDASV ; # _entity_src_gen.entity_id 17 _entity_src_gen.gene_src_common_name "Bos taurus" # _struct_ref.id 1 _struct_ref.entity_id 17 _struct_ref.db_name UniProt _struct_ref.db_code P61823 _struct_ref.details http://www.uniprot.org/uniprot/P61823 # _citation.id 345 _citation.title "Machine Learning Methods for X-Ray Scattering Data Analysis from Biomacromolecular Solutions." _citation.year "2018 Jun 5" _citation.pdbx_database_id_DOI 10.1016/j.bpj.2018.04.018 _citation.pdbx_database_id_PubMed 29874600 _citation.journal_abbrev "Biophys J" _citation.journal_volume 114 _citation.journal_issue 11 _citation.page_first 2485 _citation.page_last 2492 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 345 1 "Franke D" 345 2 "Jeffries CM" # _pdbx_contact_author.id 14 _pdbx_contact_author.name_first "Cy M" _pdbx_contact_author.name_last Jeffries _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 5.355860E-02 7.346031E+02 4.529819E+02 819 2 5.555710E-02 7.507863E+02 1.970000E+02 819 3 5.755550E-02 6.631737E+02 1.526200E+02 819 4 5.955390E-02 7.090134E+02 1.365053E+02 819 5 6.155240E-02 6.479332E+02 1.202845E+02 819 6 6.355080E-02 5.630920E+02 1.006809E+02 819 7 6.554920E-02 5.875073E+02 9.635777E+01 819 8 6.754770E-02 5.147420E+02 8.876124E+01 819 9 6.954610E-02 6.186097E+02 9.005563E+01 819 10 7.154450E-02 5.347870E+02 8.257500E+01 819 11 7.354300E-02 7.379506E+02 8.209489E+01 819 12 7.554140E-02 7.019336E+02 7.975313E+01 819 13 7.753980E-02 6.510292E+02 7.462141E+01 819 14 7.953830E-02 6.953284E+02 7.393611E+01 819 15 8.153670E-02 6.699115E+02 6.992000E+01 819 16 8.353510E-02 6.264324E+02 6.776511E+01 819 17 8.553360E-02 5.296826E+02 6.279844E+01 819 18 8.753200E-02 5.583206E+02 6.125412E+01 819 19 8.953040E-02 5.300034E+02 5.993122E+01 819 20 9.152890E-02 5.613691E+02 5.772958E+01 819 21 9.352730E-02 5.591561E+02 5.772872E+01 819 22 9.552570E-02 6.640748E+02 5.797395E+01 819 23 9.752420E-02 5.692048E+02 5.442231E+01 819 24 9.952260E-02 6.289210E+02 5.501170E+01 819 25 1.015210E-01 6.228992E+02 5.252769E+01 819 26 1.035190E-01 6.031725E+02 5.286080E+01 819 27 1.055180E-01 6.948635E+02 5.257317E+01 819 28 1.075160E-01 5.903088E+02 4.881536E+01 819 29 1.095150E-01 6.410076E+02 5.058542E+01 819 30 1.115130E-01 5.712990E+02 4.743103E+01 819 31 1.135120E-01 6.610494E+02 4.898698E+01 819 32 1.155100E-01 6.605006E+02 4.763239E+01 819 33 1.175080E-01 6.393074E+02 4.664647E+01 819 34 1.195070E-01 6.042149E+02 4.617611E+01 819 35 1.215050E-01 6.010960E+02 4.435067E+01 819 36 1.235040E-01 6.455057E+02 4.555065E+01 819 37 1.255020E-01 6.471132E+02 4.435162E+01 819 38 1.275010E-01 6.574004E+02 4.425691E+01 819 39 1.294990E-01 6.118937E+02 4.303981E+01 819 40 1.314980E-01 6.344685E+02 4.232987E+01 819 41 1.334960E-01 6.050559E+02 4.182216E+01 819 42 1.354940E-01 5.622468E+02 4.052750E+01 819 43 1.374930E-01 6.503206E+02 4.211655E+01 819 44 1.394910E-01 6.453870E+02 4.093754E+01 819 45 1.414900E-01 6.470767E+02 4.014971E+01 819 46 1.434880E-01 5.635771E+02 3.861347E+01 819 47 1.454870E-01 6.604765E+02 4.016218E+01 819 48 1.474850E-01 5.614523E+02 3.751118E+01 819 49 1.494830E-01 5.873784E+02 3.726998E+01 819 50 1.514820E-01 6.076874E+02 3.814853E+01 819 51 1.534800E-01 5.652553E+02 3.677279E+01 819 52 1.554790E-01 6.159620E+02 3.734395E+01 819 53 1.574770E-01 6.298172E+02 3.784177E+01 819 54 1.594760E-01 5.598672E+02 3.519246E+01 819 55 1.614740E-01 5.655332E+02 3.609103E+01 819 56 1.634720E-01 5.774464E+02 3.534781E+01 819 57 1.654710E-01 6.136225E+02 3.550450E+01 819 58 1.674690E-01 5.795147E+02 3.502349E+01 819 59 1.694680E-01 5.865574E+02 3.461057E+01 819 60 1.714660E-01 6.470845E+02 3.637347E+01 819 61 1.734650E-01 6.037256E+02 3.463349E+01 819 62 1.754630E-01 5.930987E+02 3.416290E+01 819 63 1.774610E-01 5.743927E+02 3.366372E+01 819 64 1.794600E-01 6.305527E+02 3.432082E+01 819 65 1.814580E-01 5.845202E+02 3.339357E+01 819 66 1.834570E-01 6.693177E+02 3.438439E+01 819 67 1.854550E-01 6.459767E+02 3.435319E+01 819 68 1.874540E-01 6.580372E+02 3.483326E+01 819 69 1.894520E-01 6.432767E+02 3.433080E+01 819 70 1.914510E-01 6.645282E+02 3.500819E+01 819 71 1.934490E-01 6.364613E+02 3.413992E+01 819 72 1.954470E-01 6.328221E+02 3.491332E+01 819 73 1.974460E-01 5.730689E+02 3.353487E+01 819 74 1.994440E-01 5.602815E+02 3.272342E+01 819 75 2.014430E-01 5.775193E+02 3.314460E+01 819 76 2.034410E-01 6.627351E+02 3.497115E+01 819 77 2.054400E-01 5.980267E+02 3.400460E+01 819 78 2.074380E-01 5.923198E+02 3.326615E+01 819 79 2.094360E-01 6.130017E+02 3.397733E+01 819 80 2.114350E-01 6.408823E+02 3.462996E+01 819 81 2.134330E-01 5.941319E+02 3.470212E+01 819 82 2.154320E-01 6.208414E+02 3.543809E+01 819 83 2.174300E-01 6.325094E+02 3.487777E+01 819 84 2.194290E-01 6.198710E+02 3.582437E+01 819 85 2.214270E-01 5.767050E+02 3.514198E+01 819 86 2.234250E-01 5.893151E+02 3.559273E+01 819 87 2.254240E-01 5.713162E+02 3.497260E+01 819 88 2.274220E-01 6.105326E+02 3.569422E+01 819 89 2.294210E-01 5.851275E+02 3.621616E+01 819 90 2.314190E-01 5.958714E+02 3.597540E+01 819 91 2.334180E-01 5.839891E+02 3.600950E+01 819 92 2.354160E-01 5.994008E+02 3.645365E+01 819 93 2.374140E-01 6.334851E+02 3.719433E+01 819 94 2.394130E-01 6.130901E+02 3.756553E+01 819 95 2.414110E-01 5.924553E+02 3.600542E+01 819 96 2.434100E-01 5.951765E+02 3.683351E+01 819 97 2.454080E-01 6.259834E+02 3.746763E+01 819 98 2.474070E-01 6.229519E+02 3.641525E+01 819 99 2.494050E-01 5.744080E+02 3.489800E+01 819 100 2.514040E-01 6.135851E+02 3.490571E+01 819 101 2.534020E-01 5.845677E+02 3.468481E+01 819 102 2.554000E-01 5.684899E+02 3.342164E+01 819 103 2.573990E-01 6.245273E+02 3.486971E+01 819 104 2.593970E-01 5.376134E+02 3.268071E+01 819 105 2.613960E-01 5.679895E+02 3.305227E+01 819 106 2.633940E-01 5.948212E+02 3.406767E+01 819 107 2.653930E-01 6.581473E+02 3.407845E+01 819 108 2.673910E-01 5.735828E+02 3.271307E+01 819 109 2.693890E-01 6.127676E+02 3.377870E+01 819 110 2.713880E-01 5.793842E+02 3.283050E+01 819 111 2.733860E-01 6.302155E+02 3.400216E+01 819 112 2.753850E-01 6.521115E+02 3.371061E+01 819 113 2.773830E-01 6.253101E+02 3.350475E+01 819 114 2.793820E-01 6.349683E+02 3.337405E+01 819 115 2.813800E-01 5.694126E+02 3.203031E+01 819 116 2.833780E-01 5.602815E+02 3.202351E+01 819 117 2.853770E-01 5.497464E+02 3.077361E+01 819 118 2.873750E-01 5.703134E+02 3.183290E+01 819 119 2.893740E-01 6.397038E+02 3.262374E+01 819 120 2.913720E-01 6.216989E+02 3.257372E+01 819 121 2.933710E-01 5.679378E+02 3.160597E+01 819 122 2.953690E-01 5.920977E+02 3.131399E+01 819 123 2.973670E-01 5.740164E+02 3.143267E+01 819 124 2.993660E-01 5.573219E+02 3.089834E+01 819 125 3.013640E-01 5.868763E+02 3.131267E+01 819 126 3.033630E-01 5.711441E+02 3.066990E+01 819 127 3.053610E-01 5.966084E+02 3.102477E+01 819 128 3.073600E-01 5.584193E+02 3.079120E+01 819 129 3.093580E-01 6.057023E+02 3.111887E+01 819 130 3.113570E-01 5.570754E+02 2.997981E+01 819 131 3.133550E-01 6.104523E+02 3.120809E+01 819 132 3.153530E-01 6.018233E+02 3.093277E+01 819 133 3.173520E-01 6.156607E+02 3.091132E+01 819 134 3.193500E-01 5.400529E+02 2.921441E+01 819 135 3.213490E-01 5.560111E+02 2.958956E+01 819 136 3.233470E-01 5.415323E+02 2.951185E+01 819 137 3.253460E-01 5.520677E+02 2.965397E+01 819 138 3.273440E-01 5.587038E+02 2.953260E+01 819 139 3.293420E-01 5.657025E+02 2.951790E+01 819 140 3.313410E-01 5.818179E+02 3.005279E+01 819 141 3.333390E-01 5.606519E+02 2.958750E+01 819 142 3.353380E-01 5.487410E+02 2.882376E+01 819 143 3.373360E-01 5.636866E+02 2.973548E+01 819 144 3.393350E-01 5.269458E+02 2.824542E+01 819 145 3.413330E-01 5.461260E+02 2.883351E+01 819 146 3.433310E-01 5.813508E+02 2.946132E+01 819 147 3.453300E-01 5.575561E+02 2.861265E+01 819 148 3.473280E-01 5.671189E+02 2.911960E+01 819 149 3.493270E-01 5.674740E+02 2.905735E+01 819 150 3.513250E-01 5.721158E+02 2.919628E+01 819 151 3.533240E-01 5.537826E+02 2.805187E+01 819 152 3.553220E-01 5.379511E+02 2.833101E+01 819 153 3.573200E-01 5.499515E+02 2.864441E+01 819 154 3.593190E-01 5.362500E+02 2.822328E+01 819 155 3.613170E-01 5.279445E+02 2.779116E+01 819 156 3.633160E-01 5.273802E+02 2.855958E+01 819 157 3.653140E-01 5.363733E+02 2.911552E+01 819 158 3.673130E-01 5.035231E+02 2.824155E+01 819 159 3.693110E-01 5.509076E+02 2.928958E+01 819 160 3.713090E-01 5.595292E+02 2.970651E+01 819 161 3.733080E-01 5.736508E+02 3.001408E+01 819 162 3.753060E-01 5.148977E+02 2.887552E+01 819 163 3.773050E-01 5.783492E+02 2.936311E+01 819 164 3.793030E-01 5.950708E+02 2.953527E+01 819 165 3.813020E-01 5.858361E+02 2.936504E+01 819 166 3.833000E-01 5.716223E+02 2.927590E+01 819 167 3.852990E-01 5.883061E+02 2.917298E+01 819 168 3.872970E-01 5.722282E+02 2.845004E+01 819 169 3.892950E-01 5.395758E+02 2.815794E+01 819 170 3.912940E-01 5.592565E+02 2.798088E+01 819 171 3.932920E-01 5.212412E+02 2.748345E+01 819 172 3.952910E-01 5.022177E+02 2.688908E+01 819 173 3.972890E-01 5.528531E+02 2.793366E+01 819 174 3.992880E-01 5.549300E+02 2.806477E+01 819 175 4.012860E-01 5.036615E+02 2.668748E+01 819 176 4.032840E-01 5.390611E+02 2.737429E+01 819 177 4.052830E-01 5.728706E+02 2.771095E+01 819 178 4.072810E-01 5.777458E+02 2.806198E+01 819 179 4.092800E-01 5.272202E+02 2.700693E+01 819 180 4.112780E-01 5.460863E+02 2.689225E+01 819 181 4.132770E-01 5.844700E+02 2.752719E+01 819 182 4.152750E-01 5.367784E+02 2.651067E+01 819 183 4.172730E-01 5.273372E+02 2.667464E+01 819 184 4.192720E-01 5.811687E+02 2.710071E+01 819 185 4.212700E-01 5.458057E+02 2.635828E+01 819 186 4.232690E-01 5.505794E+02 2.649427E+01 819 187 4.252670E-01 5.490592E+02 2.635813E+01 819 188 4.272660E-01 5.266456E+02 2.605924E+01 819 189 4.292640E-01 5.190763E+02 2.549454E+01 819 190 4.312620E-01 5.278406E+02 2.573649E+01 819 191 4.332610E-01 5.157637E+02 2.582040E+01 819 192 4.352590E-01 5.420500E+02 2.585508E+01 819 193 4.372580E-01 5.446992E+02 2.584893E+01 819 194 4.392560E-01 5.177176E+02 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3.049210E+00 9.775573E+00 1.015865E+01 819 1501 3.051210E+00 1.087328E+01 1.020065E+01 819 1502 3.053210E+00 1.438015E+01 1.019970E+01 819 1503 3.055210E+00 4.966794E+00 1.003904E+01 819 1504 3.057200E+00 1.601832E+01 1.024668E+01 819 1505 3.059200E+00 1.175725E+01 1.026170E+01 819 1506 3.061200E+00 1.700324E+01 1.037652E+01 819 1507 3.063200E+00 7.744466E+00 9.964573E+00 819 1508 3.065200E+00 -3.167099E+00 9.762555E+00 819 1509 3.067200E+00 6.878817E+00 1.007989E+01 819 1510 3.069190E+00 7.213359E+00 1.003120E+01 819 1511 3.071190E+00 -4.330248E+00 9.714355E+00 819 1512 3.073190E+00 2.048683E+01 1.034567E+01 819 1513 3.075190E+00 1.497939E+01 1.023500E+01 819 1514 3.077190E+00 1.657385E+01 1.024462E+01 819 1515 3.079190E+00 7.679771E+00 9.993273E+00 819 1516 3.081180E+00 9.322901E+00 1.002798E+01 819 1517 3.083180E+00 1.443912E+01 1.016849E+01 819 1518 3.085180E+00 1.103969E+01 1.006834E+01 819 1519 3.087180E+00 8.071412E+00 9.955282E+00 819 1520 3.089180E+00 1.237786E+01 1.002247E+01 819 1521 3.091180E+00 2.218130E+00 9.833695E+00 819 1522 3.093180E+00 8.082824E+00 1.011956E+01 819 1523 3.095170E+00 2.882481E+01 1.051378E+01 819 1524 3.097170E+00 6.220687E+00 9.907651E+00 819 1525 3.099170E+00 1.348321E+01 1.001245E+01 819 1526 3.101170E+00 1.286431E+01 1.015277E+01 819 1527 3.103170E+00 2.571584E+01 1.037902E+01 819 1528 3.105170E+00 1.686431E+01 1.021677E+01 819 1529 3.107160E+00 1.009256E+01 9.940471E+00 819 1530 3.109160E+00 1.459408E+01 1.001242E+01 819 1531 3.111160E+00 1.224427E+01 1.020258E+01 819 1532 3.113160E+00 2.183454E+01 1.025146E+01 819 1533 3.115160E+00 2.985092E+01 1.037940E+01 819 1534 3.117160E+00 9.323855E+00 9.961099E+00 819 1535 3.119160E+00 6.961832E+00 9.966286E+00 819 1536 3.121150E+00 2.707519E+01 1.035438E+01 819 1537 3.123150E+00 2.090592E+01 1.023487E+01 819 1538 3.125150E+00 7.232443E+00 9.909927E+00 819 1539 3.127150E+00 1.303053E+01 1.014670E+01 819 1540 3.129150E+00 1.274046E+01 1.001694E+01 819 1541 3.131150E+00 1.308817E+01 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-2.091412E-01 9.595336E+00 819 1563 3.175110E+00 4.284542E+00 9.908876E+00 819 1564 3.177110E+00 -3.521374E+00 9.768989E+00 819 1565 3.179110E+00 1.549618E+01 1.044450E+01 819 1566 3.181110E+00 -3.630153E-01 1.032488E+01 819 1567 3.183100E+00 1.306832E+01 1.078028E+01 819 1568 3.185100E+00 7.103244E+00 1.078486E+01 819 1569 3.187100E+00 1.046374E+01 1.095287E+01 819 1570 3.189100E+00 1.842023E+01 1.114992E+01 819 1571 3.191100E+00 -5.355172E+00 1.070794E+01 819 1572 3.193100E+00 4.972137E+00 1.117015E+01 819 1573 3.195100E+00 1.130305E+01 1.134633E+01 819 1574 3.197090E+00 5.151527E+00 1.138999E+01 819 1575 3.199090E+00 3.012462E+01 1.207473E+01 819 1576 3.201090E+00 1.818683E+01 1.189407E+01 819 1577 3.203090E+00 3.142748E+01 1.230949E+01 819 1578 3.205090E+00 5.003053E+00 1.167608E+01 819 1579 3.207090E+00 1.061508E+01 1.189582E+01 819 1580 3.209080E+00 5.512786E+00 1.173376E+01 819 1581 3.211080E+00 1.190531E+01 1.185961E+01 819 1582 3.213080E+00 2.715286E+00 1.183308E+01 819 1583 3.215080E+00 1.663664E+01 1.219050E+01 819 1584 3.217080E+00 2.176069E+01 1.257878E+01 819 1585 3.219080E+00 2.177118E+01 1.262039E+01 819 1586 3.221080E+00 1.046622E+01 1.241817E+01 819 1587 3.223070E+00 -8.900954E-01 1.205216E+01 819 1588 3.225070E+00 1.813454E+01 1.257496E+01 819 1589 3.227070E+00 2.035382E+01 1.278223E+01 819 1590 3.229070E+00 1.303088E+01 1.254097E+01 819 1591 3.231070E+00 3.216603E+00 1.255562E+01 819 1592 3.233070E+00 1.137006E+01 1.250002E+01 819 1593 3.235060E+00 2.003569E+01 1.301153E+01 819 1594 3.237060E+00 7.672901E+00 1.293066E+01 819 1595 3.239060E+00 2.526359E+01 1.331089E+01 819 1596 3.241060E+00 -1.922523E+01 1.198169E+01 819 1597 3.243060E+00 -1.357361E+01 1.219642E+01 819 1598 3.245060E+00 2.360880E+01 1.331640E+01 819 1599 3.247050E+00 1.336279E+00 1.296575E+01 819 1600 3.249050E+00 2.521019E+01 1.345083E+01 819 1601 3.251050E+00 1.844847E+01 1.356096E+01 819 1602 3.253050E+00 1.585080E+01 1.366355E+01 819 1603 3.255050E+00 1.139160E+01 1.357811E+01 819 1604 3.257050E+00 1.822519E-02 1.317411E+01 819 1605 3.259050E+00 1.839557E+01 1.380007E+01 819 1606 3.261040E+00 1.155912E+01 1.367778E+01 819 1607 3.263040E+00 2.426450E+01 1.421064E+01 819 1608 3.265040E+00 6.363931E+00 1.359355E+01 819 1609 3.267040E+00 3.220771E+01 1.462095E+01 819 1610 3.269040E+00 3.290515E+00 1.369102E+01 819 1611 3.271040E+00 1.269670E+01 1.402430E+01 819 1612 3.273030E+00 1.341836E+01 1.403992E+01 819 1613 3.275030E+00 1.786504E+01 1.424982E+01 819 1614 3.277030E+00 2.468844E+01 1.483545E+01 819 1615 3.279030E+00 1.330218E+01 1.461937E+01 819 1616 3.281030E+00 1.589017E+01 1.471670E+01 819 1617 3.283030E+00 2.032156E+01 1.517141E+01 819 1618 3.285020E+00 6.720401E+00 1.422698E+01 819 1619 3.287020E+00 7.312977E+00 1.459080E+01 819 1620 3.289020E+00 2.197492E+01 1.511181E+01 819 1621 3.291020E+00 6.469466E-02 1.426681E+01 819 1622 3.293020E+00 -1.397567E+01 1.388127E+01 819 1623 3.295020E+00 3.655324E+00 1.483606E+01 819 1624 3.297020E+00 9.515649E+00 1.502240E+01 819 1625 3.299010E+00 2.879141E+00 1.493037E+01 819 1626 3.301010E+00 2.406183E+01 1.558809E+01 819 1627 3.303010E+00 1.821718E+00 1.525636E+01 819 1628 3.305010E+00 9.667405E+00 1.538638E+01 819 1629 3.307010E+00 -2.874714E+00 1.517457E+01 819 1630 3.309010E+00 3.417101E+01 1.650036E+01 819 1631 3.311000E+00 5.173836E+00 1.559031E+01 819 1632 3.313000E+00 9.398435E+00 1.590301E+01 819 1633 3.315000E+00 -1.519519E+01 1.497213E+01 819 1634 3.317000E+00 -1.035414E+01 1.510780E+01 819 1635 3.319000E+00 -4.332977E+00 1.565615E+01 819 1636 3.321000E+00 1.462158E+01 1.625310E+01 819 1637 3.323000E+00 -2.085534E+00 1.567718E+01 819 1638 3.324990E+00 1.380552E+01 1.645713E+01 819 1639 3.326990E+00 1.793435E+01 1.683249E+01 819 1640 3.328990E+00 4.006641E+00 1.639699E+01 819 1641 3.330990E+00 -1.472023E+00 1.628545E+01 819 1642 3.332990E+00 1.354580E+00 1.631437E+01 819 1643 3.334990E+00 5.291336E+00 1.663724E+01 819 1644 3.336980E+00 1.523987E+01 1.740926E+01 819 1645 3.338980E+00 2.968111E+00 1.702147E+01 819 1646 3.340980E+00 1.574939E+01 1.757648E+01 819 1647 3.342980E+00 2.243760E+01 1.822912E+01 819 1648 3.344980E+00 4.499542E+00 1.742348E+01 819 1649 3.346980E+00 4.413397E+00 1.771724E+01 819 1650 3.348970E+00 9.119332E+00 1.751628E+01 819 1651 3.350970E+00 -9.647061E+00 1.673474E+01 819 1652 3.352970E+00 -4.657424E+00 1.762171E+01 819 1653 3.354970E+00 5.695916E+00 1.809131E+01 819 1654 3.356970E+00 -1.682418E+01 1.732708E+01 819 1655 3.358970E+00 4.448473E-01 1.801642E+01 819 1656 3.360970E+00 1.825248E+00 1.833838E+01 819 1657 3.362960E+00 1.523786E+01 1.921517E+01 819 1658 3.364960E+00 9.267176E-01 1.911769E+01 819 1659 3.366960E+00 1.125355E+01 1.944670E+01 819 1660 3.368960E+00 -1.122649E+01 1.785500E+01 819 1661 3.370960E+00 3.087615E+00 1.930010E+01 819 1662 3.372960E+00 4.108397E+00 1.965653E+01 819 1663 3.374950E+00 7.817748E+00 1.976048E+01 819 1664 3.376950E+00 2.647595E+00 1.959189E+01 819 1665 3.378950E+00 -1.345523E+01 1.906389E+01 819 1666 3.380950E+00 3.048855E-01 1.985290E+01 819 1667 3.382950E+00 1.047544E+01 2.061916E+01 819 1668 3.384950E+00 -8.401393E+00 1.952735E+01 819 1669 3.386950E+00 -3.911298E+01 1.904102E+01 819 1670 3.388940E+00 1.093143E+01 2.103704E+01 819 1671 3.390940E+00 2.845135E+01 2.264462E+01 819 1672 3.392940E+00 1.804172E+01 2.197863E+01 819 1673 3.394940E+00 2.577176E+01 2.315977E+01 819 1674 3.396940E+00 -5.213511E+00 2.176880E+01 819 1675 3.398940E+00 3.622523E+01 2.431935E+01 819 1676 3.400930E+00 3.418349E+01 2.400487E+01 819 1677 3.402930E+00 3.974046E+00 2.343342E+01 819 1678 3.404930E+00 -2.810286E+01 2.201653E+01 819 1679 3.406930E+00 -1.216872E+01 2.350725E+01 819 1680 3.408930E+00 -7.910592E+00 2.394882E+01 819 1681 3.410930E+00 -2.395603E+01 2.272968E+01 819 1682 3.412920E+00 -9.605324E+00 2.421132E+01 819 1683 3.414920E+00 4.204695E+01 2.902366E+01 819 1684 3.416920E+00 3.900975E+01 2.851059E+01 819 1685 3.418920E+00 4.529702E+01 2.929641E+01 819 1686 3.420920E+00 -6.330935E+00 2.661202E+01 819 1687 3.422920E+00 1.001786E+01 2.845246E+01 819 1688 3.424920E+00 2.374968E+01 2.922933E+01 819 1689 3.426910E+00 -8.940344E+00 2.606370E+01 819 1690 3.428910E+00 7.982824E+00 2.902021E+01 819 1691 3.430910E+00 3.338912E+00 2.903550E+01 819 1692 3.432910E+00 4.108204E+01 3.131660E+01 819 1693 3.434910E+00 1.236240E+01 2.986302E+01 819 1694 3.436910E+00 2.130452E+01 3.019372E+01 819 1695 3.438900E+00 -2.877853E+01 2.674166E+01 819 1696 3.440900E+00 -8.915515E+00 2.899746E+01 819 1697 3.442900E+00 7.777863E+00 3.032040E+01 819 1698 3.444900E+00 8.985954E+00 3.050859E+01 819 1699 3.446900E+00 -3.798855E+00 3.064437E+01 819 1700 3.448900E+00 1.523481E+01 3.196351E+01 819 1701 3.450890E+00 2.961851E+00 3.275080E+01 819 1702 3.452890E+00 -5.407576E+00 3.235708E+01 819 1703 3.454890E+00 -5.485445E+01 2.922605E+01 819 1704 3.456890E+00 -5.984466E+00 3.507158E+01 819 1705 3.458890E+00 4.391237E+01 3.883912E+01 819 1706 3.460890E+00 -4.119639E+01 3.162649E+01 819 1707 3.462890E+00 2.421183E+00 3.818273E+01 819 1708 3.464880E+00 1.861040E+01 4.090958E+01 819 1709 3.466880E+00 4.714905E+01 4.475219E+01 819 1710 3.468880E+00 -1.426844E+01 3.815078E+01 819 1711 3.470880E+00 2.390471E+01 4.288611E+01 819 1712 3.472880E+00 1.813019E+01 4.326218E+01 819 1713 3.474880E+00 -3.626590E+01 3.972733E+01 819 1714 3.476870E+00 -9.629179E+00 4.580517E+01 819 1715 3.478870E+00 5.510324E+01 5.793960E+01 819 1716 3.480870E+00 1.074443E+01 5.579813E+01 819 1717 3.482870E+00 4.778569E+01 5.869250E+01 819 1718 3.484870E+00 -5.873130E+00 5.570452E+01 819 1719 3.486870E+00 2.476872E+01 6.596592E+01 819 1720 3.488870E+00 -1.422948E+01 6.288137E+01 819 1721 3.490860E+00 2.789002E+01 7.413924E+01 819 1722 3.492860E+00 -5.363363E+01 7.010284E+01 819 1723 3.494860E+00 -2.507519E+01 1.559993E+02 819 # _sas_p_of_R_details.id 819 _sas_p_of_R_details.intensity_id 819 _sas_p_of_R_details.software_p_of_R "GNOM 4.6" _sas_p_of_R_details.number_of_points 427 _sas_p_of_R_details.qmin 0.08254 _sas_p_of_R_details.qmax 3.488 _sas_p_of_R_details.p_of_R_point_min 14 _sas_p_of_R_details.p_of_R_point_max 440 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 5.56 # 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 819 1 0.000000E+00 0.000000E+00 0.000000E+00 819 2 5.560000E-02 4.763000E-01 2.111000E-02 819 3 1.112000E-01 1.007000E+00 3.771000E-02 819 4 1.668000E-01 1.590000E+00 4.995000E-02 819 5 2.224000E-01 2.225000E+00 5.806000E-02 819 6 2.780000E-01 2.909000E+00 6.235000E-02 819 7 3.336000E-01 3.638000E+00 6.324000E-02 819 8 3.892000E-01 4.408000E+00 6.122000E-02 819 9 4.448000E-01 5.216000E+00 5.695000E-02 819 10 5.004000E-01 6.056000E+00 5.127000E-02 819 11 5.560000E-01 6.923000E+00 4.533000E-02 819 12 6.116000E-01 7.811000E+00 4.075000E-02 819 13 6.672000E-01 8.714000E+00 3.937000E-02 819 14 7.228000E-01 9.625000E+00 4.222000E-02 819 15 7.784000E-01 1.054000E+01 4.870000E-02 819 16 8.340000E-01 1.145000E+01 5.728000E-02 819 17 8.896000E-01 1.235000E+01 6.661000E-02 819 18 9.452000E-01 1.323000E+01 7.575000E-02 819 19 1.001000E+00 1.408000E+01 8.408000E-02 819 20 1.056000E+00 1.491000E+01 9.119000E-02 819 21 1.112000E+00 1.570000E+01 9.686000E-02 819 22 1.168000E+00 1.645000E+01 1.010000E-01 819 23 1.223000E+00 1.715000E+01 1.036000E-01 819 24 1.279000E+00 1.780000E+01 1.047000E-01 819 25 1.334000E+00 1.840000E+01 1.047000E-01 819 26 1.390000E+00 1.894000E+01 1.038000E-01 819 27 1.446000E+00 1.941000E+01 1.024000E-01 819 28 1.501000E+00 1.983000E+01 1.011000E-01 819 29 1.557000E+00 2.017000E+01 1.004000E-01 819 30 1.612000E+00 2.045000E+01 1.007000E-01 819 31 1.668000E+00 2.066000E+01 1.023000E-01 819 32 1.724000E+00 2.080000E+01 1.054000E-01 819 33 1.779000E+00 2.088000E+01 1.098000E-01 819 34 1.835000E+00 2.089000E+01 1.153000E-01 819 35 1.890000E+00 2.083000E+01 1.215000E-01 819 36 1.946000E+00 2.071000E+01 1.279000E-01 819 37 2.002000E+00 2.053000E+01 1.342000E-01 819 38 2.057000E+00 2.029000E+01 1.400000E-01 819 39 2.113000E+00 2.000000E+01 1.450000E-01 819 40 2.168000E+00 1.965000E+01 1.491000E-01 819 41 2.224000E+00 1.926000E+01 1.521000E-01 819 42 2.280000E+00 1.882000E+01 1.540000E-01 819 43 2.335000E+00 1.834000E+01 1.547000E-01 819 44 2.391000E+00 1.783000E+01 1.544000E-01 819 45 2.446000E+00 1.729000E+01 1.531000E-01 819 46 2.502000E+00 1.672000E+01 1.511000E-01 819 47 2.558000E+00 1.612000E+01 1.486000E-01 819 48 2.613000E+00 1.551000E+01 1.458000E-01 819 49 2.669000E+00 1.488000E+01 1.429000E-01 819 50 2.724000E+00 1.425000E+01 1.402000E-01 819 51 2.780000E+00 1.360000E+01 1.378000E-01 819 52 2.836000E+00 1.296000E+01 1.360000E-01 819 53 2.891000E+00 1.231000E+01 1.346000E-01 819 54 2.947000E+00 1.167000E+01 1.339000E-01 819 55 3.002000E+00 1.104000E+01 1.335000E-01 819 56 3.058000E+00 1.042000E+01 1.335000E-01 819 57 3.114000E+00 9.806000E+00 1.337000E-01 819 58 3.169000E+00 9.210000E+00 1.339000E-01 819 59 3.225000E+00 8.632000E+00 1.341000E-01 819 60 3.280000E+00 8.073000E+00 1.340000E-01 819 61 3.336000E+00 7.534000E+00 1.336000E-01 819 62 3.392000E+00 7.016000E+00 1.329000E-01 819 63 3.447000E+00 6.522000E+00 1.318000E-01 819 64 3.503000E+00 6.051000E+00 1.304000E-01 819 65 3.558000E+00 5.604000E+00 1.288000E-01 819 66 3.614000E+00 5.181000E+00 1.270000E-01 819 67 3.670000E+00 4.783000E+00 1.252000E-01 819 68 3.725000E+00 4.410000E+00 1.233000E-01 819 69 3.781000E+00 4.060000E+00 1.216000E-01 819 70 3.836000E+00 3.734000E+00 1.200000E-01 819 71 3.892000E+00 3.431000E+00 1.187000E-01 819 72 3.948000E+00 3.150000E+00 1.176000E-01 819 73 4.003000E+00 2.891000E+00 1.168000E-01 819 74 4.059000E+00 2.652000E+00 1.162000E-01 819 75 4.114000E+00 2.432000E+00 1.158000E-01 819 76 4.170000E+00 2.231000E+00 1.158000E-01 819 77 4.226000E+00 2.047000E+00 1.160000E-01 819 78 4.281000E+00 1.880000E+00 1.165000E-01 819 79 4.337000E+00 1.727000E+00 1.173000E-01 819 80 4.392000E+00 1.587000E+00 1.186000E-01 819 81 4.448000E+00 1.461000E+00 1.202000E-01 819 82 4.504000E+00 1.345000E+00 1.222000E-01 819 83 4.559000E+00 1.240000E+00 1.247000E-01 819 84 4.615000E+00 1.143000E+00 1.275000E-01 819 85 4.670000E+00 1.055000E+00 1.305000E-01 819 86 4.726000E+00 9.730000E-01 1.336000E-01 819 87 4.782000E+00 8.972000E-01 1.367000E-01 819 88 4.837000E+00 8.264000E-01 1.393000E-01 819 89 4.893000E+00 7.596000E-01 1.414000E-01 819 90 4.948000E+00 6.960000E-01 1.425000E-01 819 91 5.004000E+00 6.348000E-01 1.423000E-01 819 92 5.060000E+00 5.752000E-01 1.405000E-01 819 93 5.115000E+00 5.165000E-01 1.368000E-01 819 94 5.171000E+00 4.580000E-01 1.309000E-01 819 95 5.226000E+00 3.990000E-01 1.223000E-01 819 96 5.282000E+00 3.389000E-01 1.108000E-01 819 97 5.338000E+00 2.770000E-01 9.615000E-02 819 98 5.393000E+00 2.128000E-01 7.798000E-02 819 99 5.449000E+00 1.456000E-01 5.605000E-02 819 100 5.504000E+00 7.488000E-02 3.013000E-02 819 101 5.560000E+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 819 1 0.000000E+00 6.263000E+02 819 2 8.254000E-03 6.263000E+02 819 3 1.651000E-02 6.262000E+02 819 4 2.476000E-02 6.260000E+02 819 5 3.301000E-02 6.257000E+02 819 6 4.127000E-02 6.254000E+02 819 7 4.952000E-02 6.250000E+02 819 8 5.778000E-02 6.245000E+02 819 9 6.603000E-02 6.240000E+02 819 10 7.428000E-02 6.233000E+02 819 11 8.254000E-02 6.226000E+02 819 12 9.053000E-02 6.219000E+02 819 13 9.852000E-02 6.211000E+02 819 14 1.065000E-01 6.202000E+02 819 15 1.145000E-01 6.193000E+02 819 16 1.225000E-01 6.183000E+02 819 17 1.305000E-01 6.172000E+02 819 18 1.385000E-01 6.161000E+02 819 19 1.465000E-01 6.149000E+02 819 20 1.545000E-01 6.136000E+02 819 21 1.625000E-01 6.123000E+02 819 22 1.705000E-01 6.109000E+02 819 23 1.785000E-01 6.094000E+02 819 24 1.865000E-01 6.079000E+02 819 25 1.944000E-01 6.063000E+02 819 26 2.024000E-01 6.047000E+02 819 27 2.104000E-01 6.030000E+02 819 28 2.184000E-01 6.012000E+02 819 29 2.264000E-01 5.994000E+02 819 30 2.344000E-01 5.975000E+02 819 31 2.424000E-01 5.955000E+02 819 32 2.504000E-01 5.935000E+02 819 33 2.584000E-01 5.915000E+02 819 34 2.664000E-01 5.893000E+02 819 35 2.744000E-01 5.872000E+02 819 36 2.824000E-01 5.849000E+02 819 37 2.904000E-01 5.826000E+02 819 38 2.984000E-01 5.803000E+02 819 39 3.064000E-01 5.779000E+02 819 40 3.144000E-01 5.755000E+02 819 41 3.223000E-01 5.730000E+02 819 42 3.303000E-01 5.704000E+02 819 43 3.383000E-01 5.678000E+02 819 44 3.463000E-01 5.652000E+02 819 45 3.543000E-01 5.625000E+02 819 46 3.623000E-01 5.597000E+02 819 47 3.703000E-01 5.570000E+02 819 48 3.783000E-01 5.541000E+02 819 49 3.863000E-01 5.513000E+02 819 50 3.943000E-01 5.483000E+02 819 51 4.023000E-01 5.454000E+02 819 52 4.103000E-01 5.424000E+02 819 53 4.183000E-01 5.393000E+02 819 54 4.263000E-01 5.362000E+02 819 55 4.343000E-01 5.331000E+02 819 56 4.423000E-01 5.299000E+02 819 57 4.502000E-01 5.267000E+02 819 58 4.582000E-01 5.235000E+02 819 59 4.662000E-01 5.202000E+02 819 60 4.742000E-01 5.169000E+02 819 61 4.822000E-01 5.136000E+02 819 62 4.902000E-01 5.102000E+02 819 63 4.982000E-01 5.068000E+02 819 64 5.062000E-01 5.034000E+02 819 65 5.142000E-01 4.999000E+02 819 66 5.222000E-01 4.964000E+02 819 67 5.302000E-01 4.929000E+02 819 68 5.382000E-01 4.894000E+02 819 69 5.462000E-01 4.858000E+02 819 70 5.542000E-01 4.822000E+02 819 71 5.622000E-01 4.786000E+02 819 72 5.702000E-01 4.750000E+02 819 73 5.781000E-01 4.713000E+02 819 74 5.861000E-01 4.676000E+02 819 75 5.941000E-01 4.639000E+02 819 76 6.021000E-01 4.602000E+02 819 77 6.101000E-01 4.565000E+02 819 78 6.181000E-01 4.527000E+02 819 79 6.261000E-01 4.490000E+02 819 80 6.341000E-01 4.452000E+02 819 81 6.421000E-01 4.414000E+02 819 82 6.501000E-01 4.376000E+02 819 83 6.581000E-01 4.338000E+02 819 84 6.661000E-01 4.300000E+02 819 85 6.741000E-01 4.262000E+02 819 86 6.821000E-01 4.223000E+02 819 87 6.901000E-01 4.185000E+02 819 88 6.981000E-01 4.146000E+02 819 89 7.060000E-01 4.108000E+02 819 90 7.140000E-01 4.069000E+02 819 91 7.220000E-01 4.030000E+02 819 92 7.300000E-01 3.992000E+02 819 93 7.380000E-01 3.953000E+02 819 94 7.460000E-01 3.914000E+02 819 95 7.540000E-01 3.876000E+02 819 96 7.620000E-01 3.837000E+02 819 97 7.700000E-01 3.798000E+02 819 98 7.780000E-01 3.760000E+02 819 99 7.860000E-01 3.721000E+02 819 100 7.940000E-01 3.683000E+02 819 101 8.020000E-01 3.644000E+02 819 102 8.100000E-01 3.606000E+02 819 103 8.180000E-01 3.567000E+02 819 104 8.260000E-01 3.529000E+02 819 105 8.339000E-01 3.491000E+02 819 106 8.419000E-01 3.453000E+02 819 107 8.499000E-01 3.415000E+02 819 108 8.579000E-01 3.377000E+02 819 109 8.659000E-01 3.339000E+02 819 110 8.739000E-01 3.302000E+02 819 111 8.819000E-01 3.264000E+02 819 112 8.899000E-01 3.227000E+02 819 113 8.979000E-01 3.189000E+02 819 114 9.059000E-01 3.152000E+02 819 115 9.139000E-01 3.115000E+02 819 116 9.219000E-01 3.079000E+02 819 117 9.299000E-01 3.042000E+02 819 118 9.379000E-01 3.006000E+02 819 119 9.459000E-01 2.969000E+02 819 120 9.539000E-01 2.933000E+02 819 121 9.618000E-01 2.897000E+02 819 122 9.698000E-01 2.862000E+02 819 123 9.778000E-01 2.826000E+02 819 124 9.858000E-01 2.791000E+02 819 125 9.938000E-01 2.756000E+02 819 126 1.002000E+00 2.721000E+02 819 127 1.010000E+00 2.686000E+02 819 128 1.018000E+00 2.652000E+02 819 129 1.026000E+00 2.618000E+02 819 130 1.034000E+00 2.584000E+02 819 131 1.042000E+00 2.550000E+02 819 132 1.050000E+00 2.516000E+02 819 133 1.058000E+00 2.483000E+02 819 134 1.066000E+00 2.450000E+02 819 135 1.074000E+00 2.417000E+02 819 136 1.082000E+00 2.385000E+02 819 137 1.090000E+00 2.353000E+02 819 138 1.098000E+00 2.321000E+02 819 139 1.106000E+00 2.289000E+02 819 140 1.114000E+00 2.257000E+02 819 141 1.122000E+00 2.226000E+02 819 142 1.130000E+00 2.195000E+02 819 143 1.138000E+00 2.165000E+02 819 144 1.146000E+00 2.134000E+02 819 145 1.154000E+00 2.104000E+02 819 146 1.162000E+00 2.074000E+02 819 147 1.170000E+00 2.045000E+02 819 148 1.178000E+00 2.016000E+02 819 149 1.186000E+00 1.987000E+02 819 150 1.194000E+00 1.958000E+02 819 151 1.202000E+00 1.929000E+02 819 152 1.210000E+00 1.901000E+02 819 153 1.218000E+00 1.873000E+02 819 154 1.226000E+00 1.846000E+02 819 155 1.234000E+00 1.819000E+02 819 156 1.242000E+00 1.792000E+02 819 157 1.250000E+00 1.765000E+02 819 158 1.258000E+00 1.739000E+02 819 159 1.266000E+00 1.713000E+02 819 160 1.274000E+00 1.687000E+02 819 161 1.282000E+00 1.661000E+02 819 162 1.290000E+00 1.636000E+02 819 163 1.298000E+00 1.611000E+02 819 164 1.306000E+00 1.586000E+02 819 165 1.314000E+00 1.562000E+02 819 166 1.322000E+00 1.538000E+02 819 167 1.330000E+00 1.514000E+02 819 168 1.338000E+00 1.491000E+02 819 169 1.346000E+00 1.468000E+02 819 170 1.354000E+00 1.445000E+02 819 171 1.362000E+00 1.422000E+02 819 172 1.370000E+00 1.400000E+02 819 173 1.378000E+00 1.378000E+02 819 174 1.386000E+00 1.356000E+02 819 175 1.394000E+00 1.335000E+02 819 176 1.401000E+00 1.313000E+02 819 177 1.409000E+00 1.292000E+02 819 178 1.417000E+00 1.272000E+02 819 179 1.425000E+00 1.251000E+02 819 180 1.433000E+00 1.231000E+02 819 181 1.441000E+00 1.212000E+02 819 182 1.449000E+00 1.192000E+02 819 183 1.457000E+00 1.173000E+02 819 184 1.465000E+00 1.154000E+02 819 185 1.473000E+00 1.135000E+02 819 186 1.481000E+00 1.117000E+02 819 187 1.489000E+00 1.098000E+02 819 188 1.497000E+00 1.081000E+02 819 189 1.505000E+00 1.063000E+02 819 190 1.513000E+00 1.045000E+02 819 191 1.521000E+00 1.028000E+02 819 192 1.529000E+00 1.011000E+02 819 193 1.537000E+00 9.948000E+01 819 194 1.545000E+00 9.784000E+01 819 195 1.553000E+00 9.623000E+01 819 196 1.561000E+00 9.464000E+01 819 197 1.569000E+00 9.307000E+01 819 198 1.577000E+00 9.153000E+01 819 199 1.585000E+00 9.001000E+01 819 200 1.593000E+00 8.852000E+01 819 201 1.601000E+00 8.705000E+01 819 202 1.609000E+00 8.560000E+01 819 203 1.617000E+00 8.418000E+01 819 204 1.625000E+00 8.278000E+01 819 205 1.633000E+00 8.140000E+01 819 206 1.641000E+00 8.004000E+01 819 207 1.649000E+00 7.871000E+01 819 208 1.657000E+00 7.740000E+01 819 209 1.665000E+00 7.611000E+01 819 210 1.673000E+00 7.484000E+01 819 211 1.681000E+00 7.359000E+01 819 212 1.689000E+00 7.236000E+01 819 213 1.697000E+00 7.115000E+01 819 214 1.705000E+00 6.997000E+01 819 215 1.713000E+00 6.880000E+01 819 216 1.721000E+00 6.766000E+01 819 217 1.729000E+00 6.653000E+01 819 218 1.737000E+00 6.542000E+01 819 219 1.745000E+00 6.433000E+01 819 220 1.753000E+00 6.326000E+01 819 221 1.761000E+00 6.221000E+01 819 222 1.769000E+00 6.118000E+01 819 223 1.777000E+00 6.017000E+01 819 224 1.785000E+00 5.917000E+01 819 225 1.793000E+00 5.819000E+01 819 226 1.801000E+00 5.723000E+01 819 227 1.809000E+00 5.629000E+01 819 228 1.817000E+00 5.536000E+01 819 229 1.825000E+00 5.445000E+01 819 230 1.833000E+00 5.356000E+01 819 231 1.841000E+00 5.268000E+01 819 232 1.849000E+00 5.182000E+01 819 233 1.857000E+00 5.097000E+01 819 234 1.865000E+00 5.014000E+01 819 235 1.873000E+00 4.933000E+01 819 236 1.881000E+00 4.853000E+01 819 237 1.889000E+00 4.775000E+01 819 238 1.897000E+00 4.698000E+01 819 239 1.905000E+00 4.622000E+01 819 240 1.913000E+00 4.548000E+01 819 241 1.921000E+00 4.475000E+01 819 242 1.929000E+00 4.404000E+01 819 243 1.937000E+00 4.334000E+01 819 244 1.945000E+00 4.266000E+01 819 245 1.953000E+00 4.198000E+01 819 246 1.961000E+00 4.133000E+01 819 247 1.969000E+00 4.068000E+01 819 248 1.977000E+00 4.004000E+01 819 249 1.985000E+00 3.942000E+01 819 250 1.993000E+00 3.881000E+01 819 251 2.001000E+00 3.822000E+01 819 252 2.009000E+00 3.763000E+01 819 253 2.017000E+00 3.706000E+01 819 254 2.025000E+00 3.649000E+01 819 255 2.033000E+00 3.594000E+01 819 256 2.041000E+00 3.540000E+01 819 257 2.049000E+00 3.487000E+01 819 258 2.057000E+00 3.435000E+01 819 259 2.065000E+00 3.384000E+01 819 260 2.073000E+00 3.335000E+01 819 261 2.081000E+00 3.286000E+01 819 262 2.089000E+00 3.238000E+01 819 263 2.097000E+00 3.191000E+01 819 264 2.105000E+00 3.145000E+01 819 265 2.113000E+00 3.100000E+01 819 266 2.121000E+00 3.056000E+01 819 267 2.129000E+00 3.013000E+01 819 268 2.137000E+00 2.971000E+01 819 269 2.145000E+00 2.930000E+01 819 270 2.153000E+00 2.889000E+01 819 271 2.161000E+00 2.850000E+01 819 272 2.169000E+00 2.811000E+01 819 273 2.177000E+00 2.773000E+01 819 274 2.185000E+00 2.736000E+01 819 275 2.193000E+00 2.699000E+01 819 276 2.201000E+00 2.664000E+01 819 277 2.209000E+00 2.629000E+01 819 278 2.217000E+00 2.595000E+01 819 279 2.225000E+00 2.561000E+01 819 280 2.233000E+00 2.529000E+01 819 281 2.241000E+00 2.497000E+01 819 282 2.249000E+00 2.465000E+01 819 283 2.257000E+00 2.435000E+01 819 284 2.265000E+00 2.405000E+01 819 285 2.273000E+00 2.376000E+01 819 286 2.281000E+00 2.347000E+01 819 287 2.289000E+00 2.319000E+01 819 288 2.297000E+00 2.291000E+01 819 289 2.305000E+00 2.264000E+01 819 290 2.313000E+00 2.238000E+01 819 291 2.321000E+00 2.212000E+01 819 292 2.329000E+00 2.187000E+01 819 293 2.337000E+00 2.163000E+01 819 294 2.345000E+00 2.138000E+01 819 295 2.353000E+00 2.115000E+01 819 296 2.361000E+00 2.092000E+01 819 297 2.369000E+00 2.069000E+01 819 298 2.377000E+00 2.047000E+01 819 299 2.385000E+00 2.026000E+01 819 300 2.393000E+00 2.004000E+01 819 301 2.401000E+00 1.984000E+01 819 302 2.409000E+00 1.963000E+01 819 303 2.417000E+00 1.944000E+01 819 304 2.425000E+00 1.924000E+01 819 305 2.433000E+00 1.905000E+01 819 306 2.441000E+00 1.887000E+01 819 307 2.449000E+00 1.868000E+01 819 308 2.457000E+00 1.851000E+01 819 309 2.465000E+00 1.833000E+01 819 310 2.473000E+00 1.816000E+01 819 311 2.481000E+00 1.799000E+01 819 312 2.489000E+00 1.783000E+01 819 313 2.497000E+00 1.767000E+01 819 314 2.505000E+00 1.751000E+01 819 315 2.513000E+00 1.736000E+01 819 316 2.521000E+00 1.721000E+01 819 317 2.529000E+00 1.706000E+01 819 318 2.537000E+00 1.692000E+01 819 319 2.545000E+00 1.677000E+01 819 320 2.553000E+00 1.663000E+01 819 321 2.561000E+00 1.650000E+01 819 322 2.569000E+00 1.636000E+01 819 323 2.577000E+00 1.623000E+01 819 324 2.585000E+00 1.610000E+01 819 325 2.593000E+00 1.598000E+01 819 326 2.601000E+00 1.585000E+01 819 327 2.609000E+00 1.573000E+01 819 328 2.617000E+00 1.561000E+01 819 329 2.625000E+00 1.550000E+01 819 330 2.633000E+00 1.538000E+01 819 331 2.641000E+00 1.527000E+01 819 332 2.649000E+00 1.516000E+01 819 333 2.657000E+00 1.505000E+01 819 334 2.665000E+00 1.494000E+01 819 335 2.673000E+00 1.484000E+01 819 336 2.681000E+00 1.473000E+01 819 337 2.688000E+00 1.463000E+01 819 338 2.696000E+00 1.453000E+01 819 339 2.704000E+00 1.443000E+01 819 340 2.712000E+00 1.433000E+01 819 341 2.720000E+00 1.424000E+01 819 342 2.728000E+00 1.414000E+01 819 343 2.736000E+00 1.405000E+01 819 344 2.744000E+00 1.396000E+01 819 345 2.752000E+00 1.387000E+01 819 346 2.760000E+00 1.378000E+01 819 347 2.768000E+00 1.369000E+01 819 348 2.776000E+00 1.361000E+01 819 349 2.784000E+00 1.352000E+01 819 350 2.792000E+00 1.344000E+01 819 351 2.800000E+00 1.335000E+01 819 352 2.808000E+00 1.327000E+01 819 353 2.816000E+00 1.319000E+01 819 354 2.824000E+00 1.311000E+01 819 355 2.832000E+00 1.303000E+01 819 356 2.840000E+00 1.295000E+01 819 357 2.848000E+00 1.287000E+01 819 358 2.856000E+00 1.280000E+01 819 359 2.864000E+00 1.272000E+01 819 360 2.872000E+00 1.264000E+01 819 361 2.880000E+00 1.257000E+01 819 362 2.888000E+00 1.250000E+01 819 363 2.896000E+00 1.242000E+01 819 364 2.904000E+00 1.235000E+01 819 365 2.912000E+00 1.228000E+01 819 366 2.920000E+00 1.221000E+01 819 367 2.928000E+00 1.214000E+01 819 368 2.936000E+00 1.207000E+01 819 369 2.944000E+00 1.200000E+01 819 370 2.952000E+00 1.193000E+01 819 371 2.960000E+00 1.186000E+01 819 372 2.968000E+00 1.179000E+01 819 373 2.976000E+00 1.173000E+01 819 374 2.984000E+00 1.166000E+01 819 375 2.992000E+00 1.159000E+01 819 376 3.000000E+00 1.153000E+01 819 377 3.008000E+00 1.146000E+01 819 378 3.016000E+00 1.140000E+01 819 379 3.024000E+00 1.133000E+01 819 380 3.032000E+00 1.127000E+01 819 381 3.040000E+00 1.121000E+01 819 382 3.048000E+00 1.114000E+01 819 383 3.056000E+00 1.108000E+01 819 384 3.064000E+00 1.102000E+01 819 385 3.072000E+00 1.096000E+01 819 386 3.080000E+00 1.090000E+01 819 387 3.088000E+00 1.084000E+01 819 388 3.096000E+00 1.078000E+01 819 389 3.104000E+00 1.072000E+01 819 390 3.112000E+00 1.066000E+01 819 391 3.120000E+00 1.060000E+01 819 392 3.128000E+00 1.054000E+01 819 393 3.136000E+00 1.048000E+01 819 394 3.144000E+00 1.042000E+01 819 395 3.152000E+00 1.036000E+01 819 396 3.160000E+00 1.031000E+01 819 397 3.168000E+00 1.025000E+01 819 398 3.176000E+00 1.019000E+01 819 399 3.184000E+00 1.014000E+01 819 400 3.192000E+00 1.008000E+01 819 401 3.200000E+00 1.002000E+01 819 402 3.208000E+00 9.969000E+00 819 403 3.216000E+00 9.914000E+00 819 404 3.224000E+00 9.860000E+00 819 405 3.232000E+00 9.806000E+00 819 406 3.240000E+00 9.753000E+00 819 407 3.248000E+00 9.699000E+00 819 408 3.256000E+00 9.646000E+00 819 409 3.264000E+00 9.594000E+00 819 410 3.272000E+00 9.542000E+00 819 411 3.280000E+00 9.490000E+00 819 412 3.288000E+00 9.439000E+00 819 413 3.296000E+00 9.388000E+00 819 414 3.304000E+00 9.337000E+00 819 415 3.312000E+00 9.287000E+00 819 416 3.320000E+00 9.237000E+00 819 417 3.328000E+00 9.188000E+00 819 418 3.336000E+00 9.139000E+00 819 419 3.344000E+00 9.091000E+00 819 420 3.352000E+00 9.042000E+00 819 421 3.360000E+00 8.995000E+00 819 422 3.368000E+00 8.947000E+00 819 423 3.376000E+00 8.900000E+00 819 424 3.384000E+00 8.854000E+00 819 425 3.392000E+00 8.808000E+00 819 426 3.400000E+00 8.762000E+00 819 427 3.408000E+00 8.717000E+00 819 428 3.416000E+00 8.672000E+00 819 429 3.424000E+00 8.627000E+00 819 430 3.432000E+00 8.583000E+00 819 431 3.440000E+00 8.540000E+00 819 432 3.448000E+00 8.497000E+00 819 433 3.456000E+00 8.454000E+00 819 434 3.464000E+00 8.411000E+00 819 435 3.472000E+00 8.369000E+00 819 436 3.480000E+00 8.328000E+00 819 437 3.488000E+00 8.287000E+00 # data_SASDDL3_FIT_1293 # _sas_model_fitting_details.id 1293 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 0.821 _sas_model_fitting_details.p_value 0.174444 _sas_model_fitting_details.result_id 819 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 1293 1 0.000000E+00 0.000000E+00 6.104210E+02 1293 2 2.000000E-03 0.000000E+00 6.102330E+02 1293 3 4.000000E-03 0.000000E+00 6.096700E+02 1293 4 5.355860E-03 7.346030E+02 6.090750E+02 1293 5 5.555710E-03 7.507860E+02 6.089730E+02 1293 6 5.755550E-03 6.631740E+02 6.088670E+02 1293 7 5.955390E-03 7.090130E+02 6.087580E+02 1293 8 6.155240E-03 6.479330E+02 6.086440E+02 1293 9 6.355080E-03 5.630920E+02 6.085270E+02 1293 10 6.554920E-03 5.875070E+02 6.084070E+02 1293 11 6.754770E-03 5.147420E+02 6.082820E+02 1293 12 6.954610E-03 6.186100E+02 6.081540E+02 1293 13 7.154450E-03 5.347870E+02 6.080220E+02 1293 14 7.354300E-03 7.379510E+02 6.078870E+02 1293 15 7.554140E-03 7.019340E+02 6.077470E+02 1293 16 7.753980E-03 6.510290E+02 6.076040E+02 1293 17 7.953830E-03 6.953280E+02 6.074580E+02 1293 18 8.153670E-03 6.699120E+02 6.073070E+02 1293 19 8.353510E-03 6.264320E+02 6.071530E+02 1293 20 8.553360E-03 5.296830E+02 6.069950E+02 1293 21 8.753200E-03 5.583210E+02 6.068340E+02 1293 22 8.953040E-03 5.300030E+02 6.066690E+02 1293 23 9.152890E-03 5.613690E+02 6.065000E+02 1293 24 9.352730E-03 5.591560E+02 6.063270E+02 1293 25 9.552570E-03 6.640750E+02 6.061510E+02 1293 26 9.752420E-03 5.692050E+02 6.059710E+02 1293 27 9.952260E-03 6.289210E+02 6.057880E+02 1293 28 1.015210E-02 6.228990E+02 6.056010E+02 1293 29 1.035190E-02 6.031730E+02 6.054100E+02 1293 30 1.055180E-02 6.948640E+02 6.052150E+02 1293 31 1.075160E-02 5.903090E+02 6.050170E+02 1293 32 1.095150E-02 6.410080E+02 6.048150E+02 1293 33 1.115130E-02 5.712990E+02 6.046100E+02 1293 34 1.135120E-02 6.610490E+02 6.044010E+02 1293 35 1.155100E-02 6.605010E+02 6.041880E+02 1293 36 1.175080E-02 6.393070E+02 6.039710E+02 1293 37 1.195070E-02 6.042150E+02 6.037510E+02 1293 38 1.215050E-02 6.010960E+02 6.035280E+02 1293 39 1.235040E-02 6.455060E+02 6.033000E+02 1293 40 1.255020E-02 6.471130E+02 6.030690E+02 1293 41 1.275010E-02 6.574000E+02 6.028350E+02 1293 42 1.294990E-02 6.118940E+02 6.025960E+02 1293 43 1.314980E-02 6.344680E+02 6.023550E+02 1293 44 1.334960E-02 6.050560E+02 6.021090E+02 1293 45 1.354940E-02 5.622470E+02 6.018610E+02 1293 46 1.374930E-02 6.503210E+02 6.016080E+02 1293 47 1.394910E-02 6.453870E+02 6.013520E+02 1293 48 1.414900E-02 6.470770E+02 6.010920E+02 1293 49 1.434880E-02 5.635770E+02 6.008290E+02 1293 50 1.454870E-02 6.604760E+02 6.005620E+02 1293 51 1.474850E-02 5.614520E+02 6.002920E+02 1293 52 1.494830E-02 5.873780E+02 6.000180E+02 1293 53 1.514820E-02 6.076870E+02 5.997400E+02 1293 54 1.534800E-02 5.652550E+02 5.994590E+02 1293 55 1.554790E-02 6.159620E+02 5.991740E+02 1293 56 1.574770E-02 6.298170E+02 5.988860E+02 1293 57 1.594760E-02 5.598670E+02 5.985940E+02 1293 58 1.614740E-02 5.655330E+02 5.982990E+02 1293 59 1.634720E-02 5.774460E+02 5.980000E+02 1293 60 1.654710E-02 6.136220E+02 5.976970E+02 1293 61 1.674690E-02 5.795150E+02 5.973910E+02 1293 62 1.694680E-02 5.865570E+02 5.970820E+02 1293 63 1.714660E-02 6.470850E+02 5.967690E+02 1293 64 1.734650E-02 6.037260E+02 5.964520E+02 1293 65 1.754630E-02 5.930990E+02 5.961320E+02 1293 66 1.774610E-02 5.743930E+02 5.958090E+02 1293 67 1.794600E-02 6.305530E+02 5.954820E+02 1293 68 1.814580E-02 5.845200E+02 5.951510E+02 1293 69 1.834570E-02 6.693180E+02 5.948170E+02 1293 70 1.854550E-02 6.459770E+02 5.944800E+02 1293 71 1.874540E-02 6.580370E+02 5.941390E+02 1293 72 1.894520E-02 6.432770E+02 5.937950E+02 1293 73 1.914510E-02 6.645280E+02 5.934470E+02 1293 74 1.934490E-02 6.364610E+02 5.930950E+02 1293 75 1.954470E-02 6.328220E+02 5.927410E+02 1293 76 1.974460E-02 5.730690E+02 5.923830E+02 1293 77 1.994440E-02 5.602820E+02 5.920210E+02 1293 78 2.014430E-02 5.775190E+02 5.916560E+02 1293 79 2.034410E-02 6.627350E+02 5.912880E+02 1293 80 2.054400E-02 5.980270E+02 5.909160E+02 1293 81 2.074380E-02 5.923200E+02 5.905410E+02 1293 82 2.094360E-02 6.130020E+02 5.901620E+02 1293 83 2.114350E-02 6.408820E+02 5.897800E+02 1293 84 2.134330E-02 5.941320E+02 5.893950E+02 1293 85 2.154320E-02 6.208410E+02 5.890060E+02 1293 86 2.174300E-02 6.325090E+02 5.886130E+02 1293 87 2.194290E-02 6.198710E+02 5.882180E+02 1293 88 2.214270E-02 5.767050E+02 5.878190E+02 1293 89 2.234250E-02 5.893150E+02 5.874170E+02 1293 90 2.254240E-02 5.713160E+02 5.870110E+02 1293 91 2.274220E-02 6.105330E+02 5.866020E+02 1293 92 2.294210E-02 5.851280E+02 5.861900E+02 1293 93 2.314190E-02 5.958710E+02 5.857740E+02 1293 94 2.334180E-02 5.839890E+02 5.853550E+02 1293 95 2.354160E-02 5.994010E+02 5.849330E+02 1293 96 2.374140E-02 6.334850E+02 5.845070E+02 1293 97 2.394130E-02 6.130900E+02 5.840790E+02 1293 98 2.414110E-02 5.924550E+02 5.836460E+02 1293 99 2.434100E-02 5.951770E+02 5.832110E+02 1293 100 2.454080E-02 6.259830E+02 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3.756490E+00 1.067540E+01 1293 1380 2.803400E-01 1.390420E+01 1.065280E+01 1293 1381 2.805400E-01 2.393570E+01 1.063020E+01 1293 1382 2.807400E-01 2.590120E+01 1.060770E+01 1293 1383 2.809400E-01 1.741070E+01 1.058530E+01 1293 1384 2.811400E-01 9.177100E+00 1.056290E+01 1293 1385 2.813390E-01 2.260970E+01 1.054060E+01 1293 1386 2.815390E-01 2.690130E+01 1.051830E+01 1293 1387 2.817390E-01 5.991980E+00 1.049600E+01 1293 1388 2.819390E-01 8.690270E+00 1.047380E+01 1293 1389 2.821390E-01 2.915150E+01 1.045160E+01 1293 1390 2.823390E-01 2.216180E+01 1.042950E+01 1293 1391 2.825390E-01 1.902040E+01 1.040740E+01 1293 1392 2.827380E-01 2.456550E+01 1.038550E+01 1293 1393 2.829380E-01 1.913680E+01 1.036350E+01 1293 1394 2.831380E-01 2.777140E+01 1.034160E+01 1293 1395 2.833380E-01 2.421200E+01 1.031970E+01 1293 1396 2.835380E-01 1.635710E+01 1.029780E+01 1293 1397 2.837380E-01 1.169620E+01 1.027600E+01 1293 1398 2.839370E-01 2.632330E+01 1.025430E+01 1293 1399 2.841370E-01 -1.555150E+00 1.023260E+01 1293 1400 2.843370E-01 2.601410E+01 1.021090E+01 1293 1401 2.845370E-01 3.117060E+01 1.018930E+01 1293 1402 2.847370E-01 9.595420E+00 1.016770E+01 1293 1403 2.849370E-01 1.936890E+01 1.014620E+01 1293 1404 2.851360E-01 5.769080E+00 1.012480E+01 1293 1405 2.853360E-01 2.612210E+00 1.010330E+01 1293 1406 2.855360E-01 2.930530E+00 1.008190E+01 1293 1407 2.857360E-01 1.564810E+01 1.006050E+01 1293 1408 2.859360E-01 2.060880E+01 1.003920E+01 1293 1409 2.861360E-01 1.081030E+01 1.001790E+01 1293 1410 2.863360E-01 8.100760E+00 9.996670E+00 1293 1411 2.865350E-01 -3.645230E+00 9.975580E+00 1293 1412 2.867350E-01 -5.823470E+00 9.954420E+00 1293 1413 2.869350E-01 1.562800E+01 9.933310E+00 1293 1414 2.871350E-01 1.811450E+00 9.912240E+00 1293 1415 2.873350E-01 1.936620E+01 9.891210E+00 1293 1416 2.875350E-01 3.533970E+00 9.870230E+00 1293 1417 2.877340E-01 -9.286260E-01 9.849390E+00 1293 1418 2.879340E-01 1.244830E+01 9.828500E+00 1293 1419 2.881340E-01 2.183090E+01 9.807640E+00 1293 1420 2.883340E-01 1.904120E+01 9.786830E+00 1293 1421 2.885340E-01 1.355400E+01 9.766060E+00 1293 1422 2.887340E-01 1.402350E+01 9.745330E+00 1293 1423 2.889340E-01 -1.267180E-01 9.724650E+00 1293 1424 2.891330E-01 1.812100E+01 9.704110E+00 1293 1425 2.893330E-01 2.041530E+01 9.683510E+00 1293 1426 2.895330E-01 1.021410E+01 9.662950E+00 1293 1427 2.897330E-01 1.604200E+01 9.642440E+00 1293 1428 2.899330E-01 8.239880E+00 9.621960E+00 1293 1429 2.901330E-01 1.484600E+01 9.601530E+00 1293 1430 2.903320E-01 4.413550E+00 9.581250E+00 1293 1431 2.905320E-01 1.556110E+01 9.560900E+00 1293 1432 2.907320E-01 5.041220E+00 9.540600E+00 1293 1433 2.909320E-01 2.596600E+01 9.520340E+00 1293 1434 2.911320E-01 8.908780E+00 9.500120E+00 1293 1435 2.913320E-01 1.135710E+01 9.479940E+00 1293 1436 2.915310E-01 9.045610E+00 9.459910E+00 1293 1437 2.917310E-01 4.531870E+00 9.439820E+00 1293 1438 2.919310E-01 2.318450E+01 9.419770E+00 1293 1439 2.921310E-01 2.043950E+01 9.399760E+00 1293 1440 2.923310E-01 -9.043890E-01 9.379790E+00 1293 1441 2.925310E-01 -7.144240E+00 9.359870E+00 1293 1442 2.927310E-01 1.142310E+01 9.339980E+00 1293 1443 2.929300E-01 -3.802480E+00 9.320230E+00 1293 1444 2.931300E-01 1.212940E+01 9.300420E+00 1293 1445 2.933300E-01 5.845420E-01 9.280650E+00 1293 1446 2.935300E-01 1.606720E+01 9.260930E+00 1293 1447 2.937300E-01 8.962020E+00 9.241240E+00 1293 1448 2.939300E-01 4.442560E+00 9.221600E+00 1293 1449 2.941290E-01 2.108570E+01 9.202110E+00 1293 1450 2.943290E-01 3.612330E+01 9.182550E+00 1293 1451 2.945290E-01 6.138550E+00 9.163050E+00 1293 1452 2.947290E-01 7.912210E+00 9.143580E+00 1293 1453 2.949290E-01 1.702350E+01 9.124160E+00 1293 1454 2.951290E-01 1.302140E+01 9.104790E+00 1293 1455 2.953290E-01 1.743430E+01 9.085450E+00 1293 1456 2.955280E-01 1.904410E+01 9.066250E+00 1293 1457 2.957280E-01 1.425250E+01 9.047000E+00 1293 1458 2.959280E-01 6.154580E+00 9.027790E+00 1293 1459 2.961280E-01 1.283000E+01 9.008610E+00 1293 1460 2.963280E-01 9.741220E+00 8.989480E+00 1293 1461 2.965280E-01 1.377080E+01 8.970390E+00 1293 1462 2.967270E-01 1.879940E+01 8.951430E+00 1293 1463 2.969270E-01 -3.173280E+00 8.932430E+00 1293 1464 2.971270E-01 1.673990E+01 8.913460E+00 1293 1465 2.973270E-01 1.780570E+01 8.894540E+00 1293 1466 2.975270E-01 1.182820E+01 8.875660E+00 1293 1467 2.977270E-01 2.234660E+01 8.856830E+00 1293 1468 2.979260E-01 4.393130E+00 8.838130E+00 1293 1469 2.981260E-01 1.893970E+01 8.819390E+00 1293 1470 2.983260E-01 8.039500E+00 8.800690E+00 1293 1471 2.985260E-01 1.480690E+01 8.782030E+00 1293 1472 2.987260E-01 1.971130E+01 8.763420E+00 1293 1473 2.989260E-01 2.522900E+00 8.744850E+00 1293 1474 2.991260E-01 -6.030060E+00 8.726330E+00 1293 1475 2.993250E-01 6.054390E+00 8.707940E+00 1293 1476 2.995250E-01 4.653240E+00 8.689500E+00 1293 1477 2.997250E-01 3.826340E-01 8.671100E+00 1293 1478 2.999250E-01 1.846990E+01 8.652750E+00 1293 1479 3.001250E-01 1.309160E+01 8.634430E+00 1293 1480 3.003250E-01 2.512160E+01 8.616160E+00 1293 1481 3.005240E-01 1.408260E+01 8.598030E+00 1293 1482 3.007240E-01 1.310860E+01 8.579840E+00 1293 1483 3.009240E-01 2.051680E+01 8.561700E+00 1293 1484 3.011240E-01 8.790460E+00 8.543590E+00 1293 1485 3.013240E-01 1.842160E+01 8.525530E+00 1293 1486 3.015240E-01 1.205080E+01 8.507520E+00 1293 1487 3.017230E-01 7.433210E-01 8.489630E+00 1293 1488 3.019230E-01 2.829200E+01 8.471700E+00 1293 1489 3.021230E-01 5.758970E+00 8.453810E+00 1293 1490 3.023230E-01 2.173340E+01 8.435970E+00 1293 1491 3.025230E-01 1.019260E+01 8.418170E+00 1293 1492 3.027230E-01 1.196660E+01 8.400420E+00 1293 1493 3.029230E-01 2.628240E+00 8.382710E+00 1293 1494 3.031220E-01 1.739220E+01 8.365130E+00 1293 1495 3.033220E-01 -1.240080E+00 8.347510E+00 1293 1496 3.035220E-01 -1.860310E+00 8.329930E+00 1293 1497 3.037220E-01 2.192790E+01 8.312390E+00 1293 1498 3.039220E-01 1.205460E+01 8.294900E+00 1293 1499 3.041220E-01 -2.530720E+00 8.277450E+00 1293 1500 3.043210E-01 -1.643190E+00 8.260130E+00 1293 1501 3.045210E-01 8.336070E+00 8.242770E+00 1293 1502 3.047210E-01 6.982440E+00 8.225460E+00 1293 1503 3.049210E-01 9.775570E+00 8.208190E+00 1293 1504 3.051210E-01 1.087330E+01 8.190960E+00 1293 1505 3.053210E-01 1.438020E+01 8.173780E+00 1293 1506 3.055210E-01 4.966790E+00 8.156640E+00 1293 1507 3.057200E-01 1.601830E+01 8.139630E+00 1293 1508 3.059200E-01 1.175730E+01 8.122590E+00 1293 1509 3.061200E-01 1.700320E+01 8.105590E+00 1293 1510 3.063200E-01 7.744470E+00 8.088630E+00 1293 1511 3.065200E-01 -3.167100E+00 8.071720E+00 1293 1512 3.067200E-01 6.878820E+00 8.054860E+00 1293 1513 3.069190E-01 7.213360E+00 8.038120E+00 1293 1514 3.071190E-01 -4.330250E+00 8.021350E+00 1293 1515 3.073190E-01 2.048680E+01 8.004620E+00 1293 1516 3.075190E-01 1.497940E+01 7.987940E+00 1293 1517 3.077190E-01 1.657390E+01 7.971300E+00 1293 1518 3.079190E-01 7.679770E+00 7.954710E+00 1293 1519 3.081180E-01 9.322900E+00 7.938240E+00 1293 1520 3.083180E-01 1.443910E+01 7.921740E+00 1293 1521 3.085180E-01 1.103970E+01 7.905280E+00 1293 1522 3.087180E-01 8.071410E+00 7.888870E+00 1293 1523 3.089180E-01 1.237790E+01 7.872500E+00 1293 1524 3.091180E-01 2.218130E+00 7.856180E+00 1293 1525 3.093180E-01 8.082820E+00 7.839900E+00 1293 1526 3.095170E-01 2.882480E+01 7.823740E+00 1293 1527 3.097170E-01 6.220690E+00 7.807560E+00 1293 1528 3.099170E-01 1.348320E+01 7.791420E+00 1293 1529 3.101170E-01 1.286430E+01 7.775330E+00 1293 1530 3.103170E-01 2.571580E+01 7.759280E+00 1293 1531 3.105170E-01 1.686430E+01 7.743280E+00 1293 1532 3.107160E-01 1.009260E+01 7.727420E+00 1293 1533 3.109160E-01 1.459410E+01 7.711520E+00 1293 1534 3.111160E-01 1.224430E+01 7.695660E+00 1293 1535 3.113160E-01 2.183450E+01 7.679860E+00 1293 1536 3.115160E-01 2.985090E+01 7.664100E+00 1293 1537 3.117160E-01 9.323860E+00 7.648380E+00 1293 1538 3.119160E-01 6.961830E+00 7.632720E+00 1293 1539 3.121150E-01 2.707520E+01 7.617170E+00 1293 1540 3.123150E-01 2.090590E+01 7.601600E+00 1293 1541 3.125150E-01 7.232440E+00 7.586070E+00 1293 1542 3.127150E-01 1.303050E+01 7.570590E+00 1293 1543 3.129150E-01 1.274050E+01 7.555150E+00 1293 1544 3.131150E-01 1.308820E+01 7.539760E+00 1293 1545 3.133140E-01 -6.995230E+00 7.524500E+00 1293 1546 3.135140E-01 1.555340E+01 7.509210E+00 1293 1547 3.137140E-01 2.830590E+01 7.493980E+00 1293 1548 3.139140E-01 1.177200E+01 7.478790E+00 1293 1549 3.141140E-01 5.399810E+00 7.463650E+00 1293 1550 3.143140E-01 2.340810E+01 7.448550E+00 1293 1551 3.145130E-01 1.064810E+01 7.433590E+00 1293 1552 3.147130E-01 1.040400E+01 7.418590E+00 1293 1553 3.149130E-01 1.210480E+01 7.403650E+00 1293 1554 3.151130E-01 7.622140E+00 7.388750E+00 1293 1555 3.153130E-01 2.151810E+01 7.373900E+00 1293 1556 3.155130E-01 2.487980E+00 7.359090E+00 1293 1557 3.157130E-01 -1.543890E-01 7.344340E+00 1293 1558 3.159120E-01 9.047520E+00 7.329700E+00 1293 1559 3.161120E-01 4.088550E+00 7.315040E+00 1293 1560 3.163120E-01 5.095420E-02 7.300430E+00 1293 1561 3.165120E-01 -1.241590E+01 7.285860E+00 1293 1562 3.167120E-01 3.251720E+00 7.271350E+00 1293 1563 3.169120E-01 2.365400E+01 7.256880E+00 1293 1564 3.171110E-01 9.612420E+00 7.242540E+00 1293 1565 3.173110E-01 -2.091410E-01 7.228170E+00 1293 1566 3.175110E-01 4.284540E+00 7.213850E+00 1293 1567 3.177110E-01 -3.521370E+00 7.199580E+00 1293 1568 3.179110E-01 1.549620E+01 7.185350E+00 1293 1569 3.181110E-01 -3.630150E-01 7.171180E+00 1293 1570 3.183100E-01 1.306830E+01 7.157130E+00 1293 1571 3.185100E-01 7.103240E+00 7.143060E+00 1293 1572 3.187100E-01 1.046370E+01 7.129040E+00 1293 1573 3.189100E-01 1.842020E+01 7.115060E+00 1293 1574 3.191100E-01 -5.355170E+00 7.101140E+00 1293 1575 3.193100E-01 4.972140E+00 7.087260E+00 1293 1576 3.195100E-01 1.130310E+01 7.073440E+00 1293 1577 3.197090E-01 5.151530E+00 7.059730E+00 1293 1578 3.199090E-01 3.012460E+01 7.046000E+00 1293 1579 3.201090E-01 1.818680E+01 7.032310E+00 # data_SASDDL3_MODEL_1787 # _sas_model.id 1787 _sas_model.type_of_model atomic _sas_model.version PDB _sas_model.symmetry P1 _sas_model.comment . _sas_model.fitting_id 1293 _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 N N . LYS A 1787 1 . 9.882 -21.008 -32.222 1.00 19.29 ? ? ? ? ? . 1 LYS A N 1787 ATOM 2 C CA . LYS A 1787 1 . 10.397 -19.735 -31.605 1.00 19.53 ? ? ? ? ? . 1 LYS A CA 1787 ATOM 3 C C . LYS A 1787 1 . 11.783 -20.058 -31.081 1.00 17.70 ? ? ? ? ? . 1 LYS A C 1787 ATOM 4 O O . LYS A 1787 1 . 12.028 -21.142 -30.561 1.00 20.18 ? ? ? ? ? . 1 LYS A O 1787 ATOM 5 C CB . LYS A 1787 1 . 9.513 -19.296 -30.442 1.00 21.24 ? ? ? ? ? . 1 LYS A CB 1787 ATOM 6 C CG . LYS A 1787 1 . 9.867 -17.922 -29.883 1.00 26.22 ? ? ? ? ? . 1 LYS A CG 1787 ATOM 7 C CD . LYS A 1787 1 . 8.872 -17.443 -28.828 1.00 30.97 ? ? ? ? ? . 1 LYS A CD 1787 ATOM 8 C CE . LYS A 1787 1 . 9.474 -16.284 -27.990 1.00 34.54 ? ? ? ? ? . 1 LYS A CE 1787 ATOM 9 N NZ . LYS A 1787 1 . 9.279 -16.537 -26.509 1.00 36.32 ? ? ? ? ? 1+ 1 LYS A NZ 1787 ATOM 10 N N . GLU A 1787 2 . 12.693 -19.119 -31.235 1.00 14.59 ? ? ? ? ? . 2 GLU A N 1787 ATOM 11 C CA . GLU A 1787 2 . 14.061 -19.255 -30.777 1.00 13.12 ? ? ? ? ? . 2 GLU A CA 1787 ATOM 12 C C . GLU A 1787 2 . 14.064 -19.209 -29.257 1.00 11.88 ? ? ? ? ? . 2 GLU A C 1787 ATOM 13 O O . GLU A 1787 2 . 13.337 -18.380 -28.644 1.00 14.01 ? ? ? ? ? . 2 GLU A O 1787 ATOM 14 C CB . GLU A 1787 2 . 14.835 -18.069 -31.351 1.00 13.24 ? ? ? ? ? . 2 GLU A CB 1787 ATOM 15 C CG . GLU A 1787 2 . 16.285 -18.123 -31.193 1.00 14.68 ? ? ? ? ? . 2 GLU A CG 1787 ATOM 16 C CD . GLU A 1787 2 . 17.005 -16.945 -31.873 1.00 14.72 ? ? ? ? ? . 2 GLU A CD 1787 ATOM 17 O OE1 . GLU A 1787 2 . 16.414 -15.838 -31.926 1.00 15.66 ? ? ? ? ? . 2 GLU A OE1 1787 ATOM 18 O OE2 . GLU A 1787 2 . 18.167 -17.121 -32.312 1.00 14.74 ? ? ? ? ? 1- 2 GLU A OE2 1787 ATOM 19 N N . THR A 1787 3 . 14.823 -20.083 -28.615 1.00 11.13 ? ? ? ? ? . 3 THR A N 1787 ATOM 20 C CA . THR A 1787 3 . 14.958 -19.991 -27.149 1.00 10.26 ? ? ? ? ? . 3 THR A CA 1787 ATOM 21 C C . THR A 1787 3 . 15.745 -18.731 -26.752 1.00 9.51 ? ? ? ? ? . 3 THR A C 1787 ATOM 22 O O . THR A 1787 3 . 16.491 -18.170 -27.543 1.00 10.56 ? ? ? ? ? . 3 THR A O 1787 ATOM 23 C CB . THR A 1787 3 . 15.679 -21.171 -26.537 1.00 11.08 ? ? ? ? ? . 3 THR A CB 1787 ATOM 24 C CG2 . THR A 1787 3 . 15.097 -22.523 -26.998 1.00 11.89 ? ? ? ? ? . 3 THR A CG2 1787 ATOM 25 O OG1 . THR A 1787 3 . 17.060 -21.137 -26.931 1.00 9.93 ? ? ? ? ? . 3 THR A OG1 1787 ATOM 26 N N . ALA A 1787 4 . 15.551 -18.284 -25.529 1.00 11.53 ? ? ? ? ? . 4 ALA A N 1787 ATOM 27 C CA . ALA A 1787 4 . 16.243 -17.129 -25.049 1.00 10.19 ? ? ? ? ? . 4 ALA A CA 1787 ATOM 28 C C . ALA A 1787 4 . 17.749 -17.330 -25.085 1.00 8.03 ? ? ? ? ? . 4 ALA A C 1787 ATOM 29 O O . ALA A 1787 4 . 18.486 -16.417 -25.451 1.00 10.29 ? ? ? ? ? . 4 ALA A O 1787 ATOM 30 C CB . ALA A 1787 4 . 15.767 -16.794 -23.612 1.00 11.93 ? ? ? ? ? . 4 ALA A CB 1787 ATOM 31 N N . ALA A 1787 5 . 18.208 -18.499 -24.675 1.00 8.99 ? ? ? ? ? . 5 ALA A N 1787 ATOM 32 C CA . ALA A 1787 5 . 19.670 -18.787 -24.697 1.00 7.90 ? ? ? ? ? . 5 ALA A CA 1787 ATOM 33 C C . ALA A 1787 5 . 20.218 -18.755 -26.094 1.00 7.37 ? ? ? ? ? . 5 ALA A C 1787 ATOM 34 O O . ALA A 1787 5 . 21.323 -18.228 -26.338 1.00 7.84 ? ? ? ? ? . 5 ALA A O 1787 ATOM 35 C CB . ALA A 1787 5 . 19.958 -20.167 -24.055 1.00 9.55 ? ? ? ? ? . 5 ALA A CB 1787 ATOM 36 N N . ALA A 1787 6 . 19.491 -19.329 -27.048 1.00 7.87 ? ? ? ? ? . 6 ALA A N 1787 ATOM 37 C CA . ALA A 1787 6 . 19.915 -19.324 -28.409 1.00 7.74 ? ? ? ? ? . 6 ALA A CA 1787 ATOM 38 C C . ALA A 1787 6 . 19.932 -17.968 -29.051 1.00 8.21 ? ? ? ? ? . 6 ALA A C 1787 ATOM 39 O O . ALA A 1787 6 . 20.833 -17.619 -29.853 1.00 9.50 ? ? ? ? ? . 6 ALA A O 1787 ATOM 40 C CB . ALA A 1787 6 . 19.051 -20.293 -29.216 1.00 7.97 ? ? ? ? ? . 6 ALA A CB 1787 ATOM 41 N N . LYS A 1787 7 . 18.936 -17.150 -28.702 1.00 8.81 ? ? ? ? ? . 7 LYS A N 1787 ATOM 42 C CA . LYS A 1787 7 . 18.894 -15.762 -29.176 1.00 8.92 ? ? ? ? ? . 7 LYS A CA 1787 ATOM 43 C C . LYS A 1787 7 . 20.102 -14.963 -28.669 1.00 8.92 ? ? ? ? ? . 7 LYS A C 1787 ATOM 44 O O . LYS A 1787 7 . 20.739 -14.212 -29.402 1.00 9.31 ? ? ? ? ? . 7 LYS A O 1787 ATOM 45 C CB . LYS A 1787 7 . 17.603 -15.082 -28.754 1.00 9.80 ? ? ? ? ? . 7 LYS A CB 1787 ATOM 46 C CG . LYS A 1787 7 . 17.427 -13.648 -29.260 1.00 11.89 ? ? ? ? ? . 7 LYS A CG 1787 ATOM 47 C CD . LYS A 1787 7 . 16.018 -13.085 -28.904 1.00 17.12 ? ? ? ? ? . 7 LYS A CD 1787 ATOM 48 C CE . LYS A 1787 7 . 15.903 -11.676 -29.429 1.00 21.77 ? ? ? ? ? . 7 LYS A CE 1787 ATOM 49 N NZ . LYS A 1787 7 . 14.589 -11.018 -29.114 1.00 25.60 ? ? ? ? ? 1+ 7 LYS A NZ 1787 ATOM 50 N N . PHE A 1787 8 . 20.438 -15.191 -27.391 1.00 8.12 ? ? ? ? ? . 8 PHE A N 1787 ATOM 51 C CA . PHE A 1787 8 . 21.642 -14.522 -26.824 1.00 7.37 ? ? ? ? ? . 8 PHE A CA 1787 ATOM 52 C C . PHE A 1787 8 . 22.901 -14.929 -27.583 1.00 8.16 ? ? ? ? ? . 8 PHE A C 1787 ATOM 53 O O . PHE A 1787 8 . 23.747 -14.081 -27.921 1.00 8.08 ? ? ? ? ? . 8 PHE A O 1787 ATOM 54 C CB . PHE A 1787 8 . 21.818 -14.843 -25.341 1.00 7.85 ? ? ? ? ? . 8 PHE A CB 1787 ATOM 55 C CG . PHE A 1787 8 . 23.045 -14.231 -24.759 1.00 8.07 ? ? ? ? ? . 8 PHE A CG 1787 ATOM 56 C CD1 . PHE A 1787 8 . 24.267 -14.881 -24.872 1.00 9.30 ? ? ? ? ? . 8 PHE A CD1 1787 ATOM 57 C CD2 . PHE A 1787 8 . 22.994 -13.032 -24.103 1.00 8.75 ? ? ? ? ? . 8 PHE A CD2 1787 ATOM 58 C CE1 . PHE A 1787 8 . 25.451 -14.311 -24.414 1.00 9.05 ? ? ? ? ? . 8 PHE A CE1 1787 ATOM 59 C CE2 . PHE A 1787 8 . 24.220 -12.479 -23.613 1.00 8.76 ? ? ? ? ? . 8 PHE A CE2 1787 ATOM 60 C CZ . PHE A 1787 8 . 25.411 -13.131 -23.803 1.00 8.32 ? ? ? ? ? . 8 PHE A CZ 1787 ATOM 61 N N . GLU A 1787 9 . 23.045 -16.196 -27.898 1.00 8.00 ? ? ? ? ? . 9 GLU A N 1787 ATOM 62 C CA . GLU A 1787 9 . 24.202 -16.659 -28.646 1.00 8.50 ? ? ? ? ? . 9 GLU A CA 1787 ATOM 63 C C . GLU A 1787 9 . 24.247 -15.990 -30.014 1.00 8.93 ? ? ? ? ? . 9 GLU A C 1787 ATOM 64 O O . GLU A 1787 9 . 25.302 -15.461 -30.434 1.00 8.67 ? ? ? ? ? . 9 GLU A O 1787 ATOM 65 C CB . GLU A 1787 9 . 24.132 -18.179 -28.803 1.00 7.01 ? ? ? ? ? . 9 GLU A CB 1787 ATOM 66 C CG . GLU A 1787 9 . 24.370 -18.994 -27.552 1.00 8.37 ? ? ? ? ? . 9 GLU A CG 1787 ATOM 67 C CD . GLU A 1787 9 . 23.900 -20.437 -27.568 1.00 11.51 ? ? ? ? ? . 9 GLU A CD 1787 ATOM 68 O OE1 . GLU A 1787 9 . 23.268 -20.859 -28.538 1.00 11.51 ? ? ? ? ? . 9 GLU A OE1 1787 ATOM 69 O OE2 . GLU A 1787 9 . 24.127 -21.144 -26.549 1.00 12.47 ? ? ? ? ? 1- 9 GLU A OE2 1787 ATOM 70 N N . ARG A 1787 10 . 23.142 -15.985 -30.748 1.00 8.97 ? ? ? ? ? . 10 ARG A N 1787 ATOM 71 C CA . ARG A 1787 10 . 23.117 -15.395 -32.073 1.00 9.32 ? ? ? ? ? . 10 ARG A CA 1787 ATOM 72 C C . ARG A 1787 10 . 23.416 -13.895 -32.042 1.00 9.32 ? ? ? ? ? . 10 ARG A C 1787 ATOM 73 O O . ARG A 1787 10 . 24.160 -13.389 -32.910 1.00 9.89 ? ? ? ? ? . 10 ARG A O 1787 ATOM 74 C CB . ARG A 1787 10 . 21.776 -15.685 -32.736 1.00 9.77 ? ? ? ? ? . 10 ARG A CB 1787 ATOM 75 C CG . ARG A 1787 10 . 21.629 -15.008 -34.071 1.00 9.65 ? ? ? ? ? . 10 ARG A CG 1787 ATOM 76 C CD . ARG A 1787 10 . 20.337 -15.373 -34.762 1.00 10.56 ? ? ? ? ? . 10 ARG A CD 1787 ATOM 77 N NE . ARG A 1787 10 . 19.163 -14.984 -33.964 1.00 10.44 ? ? ? ? ? . 10 ARG A NE 1787 ATOM 78 C CZ . ARG A 1787 10 . 18.582 -13.789 -33.984 1.00 13.24 ? ? ? ? ? . 10 ARG A CZ 1787 ATOM 79 N NH1 . ARG A 1787 10 . 19.011 -12.819 -34.785 1.00 14.86 ? ? ? ? ? 1+ 10 ARG A NH1 1787 ATOM 80 N NH2 . ARG A 1787 10 . 17.556 -13.568 -33.212 1.00 15.51 ? ? ? ? ? . 10 ARG A NH2 1787 ATOM 81 N N . GLN A 1787 11 . 22.821 -13.184 -31.108 1.00 8.89 ? ? ? ? ? . 11 GLN A N 1787 ATOM 82 C CA . GLN A 1787 11 . 23.002 -11.735 -31.064 1.00 9.88 ? ? ? ? ? . 11 GLN A CA 1787 ATOM 83 C C . GLN A 1787 11 . 24.326 -11.316 -30.497 1.00 9.76 ? ? ? ? ? . 11 GLN A C 1787 ATOM 84 O O . GLN A 1787 11 . 24.814 -10.246 -30.861 1.00 11.47 ? ? ? ? ? . 11 GLN A O 1787 ATOM 85 C CB . GLN A 1787 11 . 21.888 -11.107 -30.204 1.00 10.43 ? ? ? ? ? . 11 GLN A CB 1787 ATOM 86 C CG . GLN A 1787 11 . 20.536 -11.260 -30.775 1.00 11.80 ? ? ? ? ? . 11 GLN A CG 1787 ATOM 87 C CD . GLN A 1787 11 . 19.475 -10.434 -30.120 1.00 15.26 ? ? ? ? ? . 11 GLN A CD 1787 ATOM 88 N NE2 . GLN A 1787 11 . 18.600 -9.834 -30.952 1.00 19.38 ? ? ? ? ? . 11 GLN A NE2 1787 ATOM 89 O OE1 . GLN A 1787 11 . 19.367 -10.386 -28.905 1.00 15.52 ? ? ? ? ? . 11 GLN A OE1 1787 ATOM 90 N N . HIS A 1787 12 . 24.942 -12.088 -29.594 1.00 7.79 ? ? ? ? ? . 12 HIS A N 1787 ATOM 91 C CA . HIS A 1787 12 . 26.012 -11.528 -28.801 1.00 7.59 ? ? ? ? ? . 12 HIS A CA 1787 ATOM 92 C C . HIS A 1787 12 . 27.306 -12.302 -28.773 1.00 9.55 ? ? ? ? ? . 12 HIS A C 1787 ATOM 93 O O . HIS A 1787 12 . 28.283 -11.798 -28.196 1.00 10.65 ? ? ? ? ? . 12 HIS A O 1787 ATOM 94 C CB . HIS A 1787 12 . 25.563 -11.308 -27.351 1.00 8.06 ? ? ? ? ? . 12 HIS A CB 1787 ATOM 95 C CG . HIS A 1787 12 . 24.431 -10.354 -27.243 1.00 9.33 ? ? ? ? ? . 12 HIS A CG 1787 ATOM 96 C CD2 . HIS A 1787 12 . 23.152 -10.522 -26.823 1.00 10.49 ? ? ? ? ? . 12 HIS A CD2 1787 ATOM 97 N ND1 . HIS A 1787 12 . 24.513 -9.049 -27.691 1.00 9.65 ? ? ? ? ? . 12 HIS A ND1 1787 ATOM 98 C CE1 . HIS A 1787 12 . 23.356 -8.447 -27.490 1.00 10.63 ? ? ? ? ? . 12 HIS A CE1 1787 ATOM 99 N NE2 . HIS A 1787 12 . 22.504 -9.333 -26.976 1.00 11.25 ? ? ? ? ? . 12 HIS A NE2 1787 ATOM 100 N N . MET A 1787 13 . 27.391 -13.479 -29.375 1.00 9.24 ? ? ? ? ? . 13 MET A N 1787 ATOM 101 C CA . MET A 1787 13 . 28.660 -14.232 -29.338 1.00 8.92 ? ? ? ? ? . 13 MET A CA 1787 ATOM 102 C C . MET A 1787 13 . 29.399 -14.154 -30.667 1.00 9.86 ? ? ? ? ? . 13 MET A C 1787 ATOM 103 O O . MET A 1787 13 . 28.787 -14.455 -31.685 1.00 11.31 ? ? ? ? ? . 13 MET A O 1787 ATOM 104 C CB . MET A 1787 13 . 28.403 -15.714 -29.023 1.00 9.46 ? ? ? ? ? . 13 MET A CB 1787 ATOM 105 C CG . MET A 1787 13 . 27.904 -16.010 -27.632 1.00 10.12 ? ? ? ? ? . 13 MET A CG 1787 ATOM 106 S SD . MET A 1787 13 . 29.051 -15.465 -26.358 1.00 9.83 ? ? ? ? ? . 13 MET A SD 1787 ATOM 107 C CE . MET A 1787 13 . 30.599 -16.165 -26.890 1.00 11.36 ? ? ? ? ? . 13 MET A CE 1787 ATOM 108 N N . ASP A 1787 14 . 30.685 -13.808 -30.655 1.00 9.80 ? ? ? ? ? . 14 ASP A N 1787 ATOM 109 C CA . ASP A 1787 14 . 31.524 -13.965 -31.853 1.00 10.94 ? ? ? ? ? . 14 ASP A CA 1787 ATOM 110 C C . ASP A 1787 14 . 32.856 -14.433 -31.400 1.00 11.29 ? ? ? ? ? . 14 ASP A C 1787 ATOM 111 O O . ASP A 1787 14 . 33.790 -13.620 -31.308 1.00 13.81 ? ? ? ? ? . 14 ASP A O 1787 ATOM 112 C CB . ASP A 1787 14 . 31.609 -12.711 -32.724 1.00 13.57 ? ? ? ? ? . 14 ASP A CB 1787 ATOM 113 C CG . ASP A 1787 14 . 32.492 -12.939 -33.930 1.00 16.65 ? ? ? ? ? . 14 ASP A CG 1787 ATOM 114 O OD1 . ASP A 1787 14 . 32.825 -14.121 -34.191 1.00 15.82 ? ? ? ? ? . 14 ASP A OD1 1787 ATOM 115 O OD2 . ASP A 1787 14 . 32.923 -11.938 -34.543 1.00 19.06 ? ? ? ? ? 1- 14 ASP A OD2 1787 ATOM 116 N N . SER A 1787 15 . 33.011 -15.733 -31.155 1.00 11.69 ? ? ? ? ? . 15 SER A N 1787 ATOM 117 C CA . SER A 1787 15 . 34.212 -16.381 -30.642 1.00 14.05 ? ? ? ? ? . 15 SER A CA 1787 ATOM 118 C C . SER A 1787 15 . 35.288 -16.643 -31.734 1.00 17.46 ? ? ? ? ? . 15 SER A C 1787 ATOM 119 O O . SER A 1787 15 . 36.303 -17.316 -31.449 1.00 20.97 ? ? ? ? ? . 15 SER A O 1787 ATOM 120 C CB . SER A 1787 15 . 33.833 -17.731 -30.078 1.00 14.86 ? ? ? ? ? . 15 SER A CB 1787 ATOM 121 O OG . SER A 1787 15 . 32.837 -17.671 -29.096 1.00 12.28 ? ? ? ? ? . 15 SER A OG 1787 ATOM 122 N N . SER A 1787 16 . 34.991 -16.302 -32.986 1.00 15.76 ? ? ? ? ? . 16 SER A N 1787 ATOM 123 C CA . SER A 1787 16 . 35.816 -16.698 -34.143 1.00 17.54 ? ? ? ? ? . 16 SER A CA 1787 ATOM 124 C C . SER A 1787 16 . 36.915 -15.698 -34.419 1.00 18.31 ? ? ? ? ? . 16 SER A C 1787 ATOM 125 O O . SER A 1787 16 . 37.796 -15.937 -35.239 1.00 19.06 ? ? ? ? ? . 16 SER A O 1787 ATOM 126 C CB . SER A 1787 16 . 34.892 -16.826 -35.373 1.00 17.16 ? ? ? ? ? . 16 SER A CB 1787 ATOM 127 O OG . SER A 1787 16 . 34.533 -15.510 -35.848 1.00 24.32 ? ? ? ? ? . 16 SER A OG 1787 ATOM 128 N N . THR A 1787 17 . 36.889 -14.578 -33.717 1.00 19.26 ? ? ? ? ? . 17 THR A N 1787 ATOM 129 C CA . THR A 1787 17 . 37.871 -13.538 -33.903 1.00 21.24 ? ? ? ? ? . 17 THR A CA 1787 ATOM 130 C C . THR A 1787 17 . 38.246 -13.019 -32.525 1.00 21.16 ? ? ? ? ? . 17 THR A C 1787 ATOM 131 O O . THR A 1787 17 . 37.445 -13.068 -31.614 1.00 20.09 ? ? ? ? ? . 17 THR A O 1787 ATOM 132 C CB . THR A 1787 17 . 37.307 -12.408 -34.830 1.00 20.44 ? ? ? ? ? . 17 THR A CB 1787 ATOM 133 C CG2 . THR A 1787 17 . 36.791 -12.974 -36.131 1.00 23.01 ? ? ? ? ? . 17 THR A CG2 1787 ATOM 134 O OG1 . THR A 1787 17 . 36.216 -11.697 -34.183 1.00 22.41 ? ? ? ? ? . 17 THR A OG1 1787 ATOM 135 N N . SER A 1787 18 . 39.479 -12.553 -32.387 1.00 21.71 ? ? ? ? ? . 18 SER A N 1787 ATOM 136 C CA . SER A 1787 18 . 39.977 -11.968 -31.161 1.00 21.93 ? ? ? ? ? . 18 SER A CA 1787 ATOM 137 C C . SER A 1787 18 . 39.430 -10.549 -30.926 1.00 20.39 ? ? ? ? ? . 18 SER A C 1787 ATOM 138 O O . SER A 1787 18 . 39.375 -10.082 -29.807 1.00 20.07 ? ? ? ? ? . 18 SER A O 1787 ATOM 139 C CB . SER A 1787 18 . 41.533 -11.944 -31.208 1.00 22.43 ? ? ? ? ? . 18 SER A CB 1787 ATOM 140 O OG . SER A 1787 18 . 42.043 -11.182 -32.302 1.00 27.56 ? ? ? ? ? . 18 SER A OG 1787 ATOM 141 N N . ALA A 1787 19 . 39.039 -9.895 -32.000 1.00 20.26 ? ? ? ? ? . 19 ALA A N 1787 ATOM 142 C CA . ALA A 1787 19 . 38.719 -8.483 -31.980 1.00 19.24 ? ? ? ? ? . 19 ALA A CA 1787 ATOM 143 C C . ALA A 1787 19 . 38.182 -8.129 -33.336 1.00 21.19 ? ? ? ? ? . 19 ALA A C 1787 ATOM 144 O O . ALA A 1787 19 . 38.488 -8.818 -34.335 1.00 22.46 ? ? ? ? ? . 19 ALA A O 1787 ATOM 145 C CB . ALA A 1787 19 . 40.001 -7.651 -31.701 1.00 19.92 ? ? ? ? ? . 19 ALA A CB 1787 ATOM 146 N N . ALA A 1787 20 . 37.366 -7.076 -33.373 1.00 20.79 ? ? ? ? ? . 20 ALA A N 1787 ATOM 147 C CA . ALA A 1787 20 . 36.999 -6.417 -34.611 1.00 21.81 ? ? ? ? ? . 20 ALA A CA 1787 ATOM 148 C C . ALA A 1787 20 . 38.261 -6.018 -35.461 1.00 24.82 ? ? ? ? ? . 20 ALA A C 1787 ATOM 149 O O . ALA A 1787 20 . 39.176 -5.331 -34.998 1.00 26.56 ? ? ? ? ? . 20 ALA A O 1787 ATOM 150 C CB . ALA A 1787 20 . 36.087 -5.176 -34.286 1.00 18.25 ? ? ? ? ? . 20 ALA A CB 1787 ATOM 151 N N . SER A 1787 21 . 38.217 -6.506 -36.707 1.00 28.43 ? ? ? ? ? . 21 SER A N 1787 ATOM 152 C CA . SER A 1787 21 . 39.234 -6.484 -37.760 1.00 29.74 ? ? ? ? ? . 21 SER A CA 1787 ATOM 153 C C . SER A 1787 21 . 39.378 -5.107 -38.418 1.00 29.40 ? ? ? ? ? . 21 SER A C 1787 ATOM 154 O O . SER A 1787 21 . 40.482 -4.672 -38.866 1.00 30.19 ? ? ? ? ? . 21 SER A O 1787 ATOM 155 C CB . SER A 1787 21 . 38.747 -7.500 -38.829 1.00 31.53 ? ? ? ? ? . 21 SER A CB 1787 ATOM 156 O OG . SER A 1787 21 . 37.292 -7.496 -38.916 1.00 32.24 ? ? ? ? ? . 21 SER A OG 1787 ATOM 157 N N . SER A 1787 22 . 38.225 -4.446 -38.482 1.00 26.86 ? ? ? ? ? . 22 SER A N 1787 ATOM 158 C CA . SER A 1787 22 . 38.037 -3.253 -39.273 1.00 24.42 ? ? ? ? ? . 22 SER A CA 1787 ATOM 159 C C . SER A 1787 22 . 36.707 -2.549 -38.997 1.00 20.86 ? ? ? ? ? . 22 SER A C 1787 ATOM 160 O O . SER A 1787 22 . 35.766 -3.060 -38.386 1.00 19.66 ? ? ? ? ? . 22 SER A O 1787 ATOM 161 C CB . SER A 1787 22 . 38.122 -3.591 -40.774 1.00 26.23 ? ? ? ? ? . 22 SER A CB 1787 ATOM 162 O OG . SER A 1787 22 . 36.911 -4.107 -41.268 1.00 28.00 ? ? ? ? ? . 22 SER A OG 1787 ATOM 163 N N . SER A 1787 23 . 36.605 -1.382 -39.606 1.00 16.87 ? ? ? ? ? . 23 SER A N 1787 ATOM 164 C CA . SER A 1787 23 . 35.414 -0.538 -39.453 1.00 16.03 ? ? ? ? ? . 23 SER A CA 1787 ATOM 165 C C . SER A 1787 23 . 34.155 -1.140 -40.044 1.00 15.08 ? ? ? ? ? . 23 SER A C 1787 ATOM 166 O O . SER A 1787 23 . 33.066 -0.735 -39.694 1.00 16.67 ? ? ? ? ? . 23 SER A O 1787 ATOM 167 C CB . SER A 1787 23 . 35.630 0.817 -40.063 1.00 17.05 ? ? ? ? ? . 23 SER A CB 1787 ATOM 168 O OG . SER A 1787 23 . 36.086 0.710 -41.383 1.00 16.49 ? ? ? ? ? . 23 SER A OG 1787 ATOM 169 N N . ASN A 1787 24 . 34.307 -2.128 -40.937 1.00 14.65 ? ? ? ? ? . 24 ASN A N 1787 ATOM 170 C CA . ASN A 1787 24 . 33.168 -2.791 -41.551 1.00 14.10 ? ? ? ? ? . 24 ASN A CA 1787 ATOM 171 C C . ASN A 1787 24 . 32.665 -4.024 -40.808 1.00 12.25 ? ? ? ? ? . 24 ASN A C 1787 ATOM 172 O O . ASN A 1787 24 . 31.694 -4.647 -41.227 1.00 13.47 ? ? ? ? ? . 24 ASN A O 1787 ATOM 173 C CB . ASN A 1787 24 . 33.550 -3.191 -43.001 1.00 15.96 ? ? ? ? ? . 24 ASN A CB 1787 ATOM 174 C CG . ASN A 1787 24 . 33.853 -1.986 -43.851 1.00 21.65 ? ? ? ? ? . 24 ASN A CG 1787 ATOM 175 N ND2 . ASN A 1787 24 . 32.971 -1.000 -43.778 1.00 21.11 ? ? ? ? ? . 24 ASN A ND2 1787 ATOM 176 O OD1 . ASN A 1787 24 . 34.873 -1.923 -44.549 1.00 32.03 ? ? ? ? ? . 24 ASN A OD1 1787 ATOM 177 N N . TYR A 1787 25 . 33.289 -4.331 -39.689 1.00 11.97 ? ? ? ? ? . 25 TYR A N 1787 ATOM 178 C CA . TYR A 1787 25 . 32.914 -5.526 -38.912 1.00 10.64 ? ? ? ? ? . 25 TYR A CA 1787 ATOM 179 C C . TYR A 1787 25 . 31.416 -5.529 -38.596 1.00 10.96 ? ? ? ? ? . 25 TYR A C 1787 ATOM 180 O O . TYR A 1787 25 . 30.700 -6.502 -38.785 1.00 12.40 ? ? ? ? ? . 25 TYR A O 1787 ATOM 181 C CB . TYR A 1787 25 . 33.745 -5.607 -37.620 1.00 10.97 ? ? ? ? ? . 25 TYR A CB 1787 ATOM 182 C CG . TYR A 1787 25 . 33.280 -6.666 -36.634 1.00 12.49 ? ? ? ? ? . 25 TYR A CG 1787 ATOM 183 C CD1 . TYR A 1787 25 . 33.790 -7.939 -36.697 1.00 12.90 ? ? ? ? ? . 25 TYR A CD1 1787 ATOM 184 C CD2 . TYR A 1787 25 . 32.336 -6.376 -35.667 1.00 13.69 ? ? ? ? ? . 25 TYR A CD2 1787 ATOM 185 C CE1 . TYR A 1787 25 . 33.352 -8.886 -35.791 1.00 12.58 ? ? ? ? ? . 25 TYR A CE1 1787 ATOM 186 C CE2 . TYR A 1787 25 . 31.900 -7.326 -34.798 1.00 12.86 ? ? ? ? ? . 25 TYR A CE2 1787 ATOM 187 C CZ . TYR A 1787 25 . 32.408 -8.581 -34.870 1.00 12.75 ? ? ? ? ? . 25 TYR A CZ 1787 ATOM 188 O OH . TYR A 1787 25 . 31.985 -9.606 -34.014 1.00 14.07 ? ? ? ? ? . 25 TYR A OH 1787 ATOM 189 N N . CYS A 1787 26 . 30.942 -4.418 -38.059 1.00 10.74 ? ? ? ? ? . 26 CYS A N 1787 ATOM 190 C CA . CYS A 1787 26 . 29.550 -4.365 -37.647 1.00 10.78 ? ? ? ? ? . 26 CYS A CA 1787 ATOM 191 C C . CYS A 1787 26 . 28.544 -4.446 -38.782 1.00 11.91 ? ? ? ? ? . 26 CYS A C 1787 ATOM 192 O O . CYS A 1787 26 . 27.553 -5.185 -38.678 1.00 12.54 ? ? ? ? ? . 26 CYS A O 1787 ATOM 193 C CB . CYS A 1787 26 . 29.282 -3.116 -36.802 1.00 9.97 ? ? ? ? ? . 26 CYS A CB 1787 ATOM 194 S SG . CYS A 1787 26 . 29.958 -3.199 -35.144 1.00 11.24 ? ? ? ? ? . 26 CYS A SG 1787 ATOM 195 N N . ASN A 1787 27 . 28.798 -3.793 -39.899 1.00 12.08 ? ? ? ? ? . 27 ASN A N 1787 ATOM 196 C CA . ASN A 1787 27 . 27.904 -3.952 -41.030 1.00 12.34 ? ? ? ? ? . 27 ASN A CA 1787 ATOM 197 C C . ASN A 1787 27 . 27.807 -5.416 -41.407 1.00 12.10 ? ? ? ? ? . 27 ASN A C 1787 ATOM 198 O O . ASN A 1787 27 . 26.707 -5.872 -41.678 1.00 14.40 ? ? ? ? ? . 27 ASN A O 1787 ATOM 199 C CB . ASN A 1787 27 . 28.398 -3.126 -42.202 1.00 12.16 ? ? ? ? ? . 27 ASN A CB 1787 ATOM 200 C CG . ASN A 1787 27 . 28.255 -1.648 -41.999 1.00 14.94 ? ? ? ? ? . 27 ASN A CG 1787 ATOM 201 N ND2 . ASN A 1787 27 . 28.995 -0.898 -42.815 1.00 18.72 ? ? ? ? ? . 27 ASN A ND2 1787 ATOM 202 O OD1 . ASN A 1787 27 . 27.453 -1.171 -41.206 1.00 13.10 ? ? ? ? ? . 27 ASN A OD1 1787 ATOM 203 N N . GLN A 1787 28 . 28.940 -6.115 -41.443 1.00 12.51 ? ? ? ? ? . 28 GLN A N 1787 ATOM 204 C CA . GLN A 1787 28 . 28.938 -7.531 -41.829 1.00 13.40 ? ? ? ? ? . 28 GLN A CA 1787 ATOM 205 C C . GLN A 1787 28 . 28.205 -8.408 -40.807 1.00 13.53 ? ? ? ? ? . 28 GLN A C 1787 ATOM 206 O O . GLN A 1787 28 . 27.371 -9.209 -41.187 1.00 14.53 ? ? ? ? ? . 28 GLN A O 1787 ATOM 207 C CB . GLN A 1787 28 . 30.374 -8.007 -42.006 1.00 14.34 ? ? ? ? ? . 28 GLN A CB 1787 ATOM 208 C CG . GLN A 1787 28 . 31.065 -7.413 -43.205 1.00 21.95 ? ? ? ? ? . 28 GLN A CG 1787 ATOM 209 C CD . GLN A 1787 28 . 32.579 -7.442 -43.036 1.00 27.27 ? ? ? ? ? . 28 GLN A CD 1787 ATOM 210 N NE2 . GLN A 1787 28 . 33.304 -6.767 -43.955 1.00 29.82 ? ? ? ? ? . 28 GLN A NE2 1787 ATOM 211 O OE1 . GLN A 1787 28 . 33.097 -8.011 -42.071 1.00 32.77 ? ? ? ? ? . 28 GLN A OE1 1787 ATOM 212 N N . MET A 1787 29 . 28.554 -8.251 -39.551 1.00 13.29 ? ? ? ? ? . 29 MET A N 1787 ATOM 213 C CA . MET A 1787 29 . 28.033 -9.115 -38.492 1.00 13.37 ? ? ? ? ? . 29 MET A CA 1787 ATOM 214 C C . MET A 1787 29 . 26.548 -8.869 -38.216 1.00 11.44 ? ? ? ? ? . 29 MET A C 1787 ATOM 215 O O . MET A 1787 29 . 25.767 -9.802 -37.944 1.00 12.87 ? ? ? ? ? . 29 MET A O 1787 ATOM 216 C CB . MET A 1787 29 . 28.844 -8.889 -37.234 1.00 13.41 ? ? ? ? ? . 29 MET A CB 1787 ATOM 217 C CG . MET A 1787 29 . 30.168 -9.554 -37.277 1.00 15.75 ? ? ? ? ? . 29 MET A CG 1787 ATOM 218 S SD . MET A 1787 29 . 30.088 -11.330 -37.378 1.00 18.30 ? ? ? ? ? . 29 MET A SD 1787 ATOM 219 C CE . MET A 1787 29 . 29.474 -11.817 -35.774 1.00 19.61 ? ? ? ? ? . 29 MET A CE 1787 ATOM 220 N N . MET A 1787 30 . 26.109 -7.630 -38.245 1.00 12.15 ? ? ? ? ? . 30 MET A N 1787 ATOM 221 C CA . MET A 1787 30 . 24.704 -7.298 -38.053 1.00 12.18 ? ? ? ? ? . 30 MET A CA 1787 ATOM 222 C C . MET A 1787 30 . 23.848 -7.954 -39.127 1.00 14.65 ? ? ? ? ? . 30 MET A C 1787 ATOM 223 O O . MET A 1787 30 . 22.741 -8.442 -38.857 1.00 14.48 ? ? ? ? ? . 30 MET A O 1787 ATOM 224 C CB . MET A 1787 30 . 24.433 -5.790 -37.964 1.00 12.54 ? ? ? ? ? . 30 MET A CB 1787 ATOM 225 C CG . MET A 1787 30 . 25.101 -5.106 -36.782 1.00 10.65 ? ? ? ? ? . 30 MET A CG 1787 ATOM 226 S SD . MET A 1787 30 . 24.580 -5.708 -35.173 1.00 12.15 ? ? ? ? ? . 30 MET A SD 1787 ATOM 227 C CE . MET A 1787 30 . 22.922 -4.968 -35.047 1.00 11.65 ? ? ? ? ? . 30 MET A CE 1787 ATOM 228 N N . LYS A 1787 31 . 24.345 -7.941 -40.361 1.00 14.54 ? ? ? ? ? . 31 LYS A N 1787 ATOM 229 C CA . LYS A 1787 31 . 23.625 -8.585 -41.448 1.00 16.46 ? ? ? ? ? . 31 LYS A CA 1787 ATOM 230 C C . LYS A 1787 31 . 23.617 -10.087 -41.299 1.00 15.61 ? ? ? ? ? . 31 LYS A C 1787 ATOM 231 O O . LYS A 1787 31 . 22.543 -10.729 -41.390 1.00 17.34 ? ? ? ? ? . 31 LYS A O 1787 ATOM 232 C CB . LYS A 1787 31 . 24.226 -8.192 -42.804 1.00 17.67 ? ? ? ? ? . 31 LYS A CB 1787 ATOM 233 C CG . LYS A 1787 31 . 23.344 -8.651 -43.977 1.00 22.47 ? ? ? ? ? . 31 LYS A CG 1787 ATOM 234 C CD . LYS A 1787 31 . 23.974 -8.340 -45.325 1.00 28.83 ? ? ? ? ? . 31 LYS A CD 1787 ATOM 235 C CE . LYS A 1787 31 . 22.969 -8.559 -46.458 1.00 33.59 ? ? ? ? ? . 31 LYS A CE 1787 ATOM 236 N NZ . LYS A 1787 31 . 23.422 -7.873 -47.727 1.00 37.19 ? ? ? ? ? 1+ 31 LYS A NZ 1787 ATOM 237 N N . SER A 1787 32 . 24.780 -10.687 -41.058 1.00 14.15 ? ? ? ? ? . 32 SER A N 1787 ATOM 238 C CA . SER A 1787 32 . 24.871 -12.126 -40.987 1.00 15.47 ? ? ? ? ? . 32 SER A CA 1787 ATOM 239 C C . SER A 1787 32 . 24.187 -12.775 -39.819 1.00 13.96 ? ? ? ? ? . 32 SER A C 1787 ATOM 240 O O . SER A 1787 32 . 23.735 -13.929 -39.924 1.00 15.93 ? ? ? ? ? . 32 SER A O 1787 ATOM 241 C CB . SER A 1787 32 . 26.300 -12.581 -41.075 1.00 15.57 ? ? ? ? ? . 32 SER A CB 1787 ATOM 242 O OG . SER A 1787 32 . 27.098 -12.085 -40.063 0.50 11.63 ? ? ? ? ? . 32 SER A OG 1787 ATOM 243 N N . ARG A 1787 33 . 24.100 -12.078 -38.693 1.00 12.60 ? ? ? ? ? . 33 ARG A N 1787 ATOM 244 C CA . ARG A 1787 33 . 23.378 -12.599 -37.548 1.00 11.26 ? ? ? ? ? . 33 ARG A CA 1787 ATOM 245 C C . ARG A 1787 33 . 21.886 -12.272 -37.631 1.00 11.86 ? ? ? ? ? . 33 ARG A C 1787 ATOM 246 O O . ARG A 1787 33 . 21.160 -12.504 -36.656 1.00 13.36 ? ? ? ? ? . 33 ARG A O 1787 ATOM 247 C CB . ARG A 1787 33 . 24.024 -12.110 -36.247 1.00 11.45 ? ? ? ? ? . 33 ARG A CB 1787 ATOM 248 C CG . ARG A 1787 33 . 25.419 -12.651 -36.070 1.00 9.28 ? ? ? ? ? . 33 ARG A CG 1787 ATOM 249 C CD . ARG A 1787 33 . 25.471 -14.189 -36.030 1.00 11.79 ? ? ? ? ? . 33 ARG A CD 1787 ATOM 250 N NE . ARG A 1787 33 . 26.815 -14.691 -35.778 1.00 11.41 ? ? ? ? ? . 33 ARG A NE 1787 ATOM 251 C CZ . ARG A 1787 33 . 27.403 -14.803 -34.591 1.00 10.51 ? ? ? ? ? . 33 ARG A CZ 1787 ATOM 252 N NH1 . ARG A 1787 33 . 26.705 -14.535 -33.506 1.00 11.11 ? ? ? ? ? 1+ 33 ARG A NH1 1787 ATOM 253 N NH2 . ARG A 1787 33 . 28.626 -15.280 -34.452 1.00 11.77 ? ? ? ? ? . 33 ARG A NH2 1787 ATOM 254 N N . ASN A 1787 34 . 21.425 -11.795 -38.787 1.00 13.86 ? ? ? ? ? . 34 ASN A N 1787 ATOM 255 C CA . ASN A 1787 34 . 20.040 -11.537 -39.048 1.00 15.50 ? ? ? ? ? . 34 ASN A CA 1787 ATOM 256 C C . ASN A 1787 34 . 19.444 -10.512 -38.119 1.00 16.06 ? ? ? ? ? . 34 ASN A C 1787 ATOM 257 O O . ASN A 1787 34 . 18.301 -10.617 -37.652 1.00 16.88 ? ? ? ? ? . 34 ASN A O 1787 ATOM 258 C CB . ASN A 1787 34 . 19.257 -12.872 -39.143 1.00 17.54 ? ? ? ? ? . 34 ASN A CB 1787 ATOM 259 C CG . ASN A 1787 34 . 19.753 -13.744 -40.309 1.00 19.55 ? ? ? ? ? . 34 ASN A CG 1787 ATOM 260 N ND2 . ASN A 1787 34 . 19.748 -15.057 -40.108 1.00 21.93 ? ? ? ? ? . 34 ASN A ND2 1787 ATOM 261 O OD1 . ASN A 1787 34 . 20.186 -13.237 -41.354 1.00 23.40 ? ? ? ? ? . 34 ASN A OD1 1787 ATOM 262 N N . LEU A 1787 35 . 20.246 -9.456 -37.878 1.00 15.27 ? ? ? ? ? . 35 LEU A N 1787 ATOM 263 C CA . LEU A 1787 35 . 19.790 -8.344 -37.050 1.00 15.10 ? ? ? ? ? . 35 LEU A CA 1787 ATOM 264 C C . LEU A 1787 35 . 19.362 -7.116 -37.849 1.00 18.46 ? ? ? ? ? . 35 LEU A C 1787 ATOM 265 O O . LEU A 1787 35 . 19.094 -6.075 -37.262 1.00 18.84 ? ? ? ? ? . 35 LEU A O 1787 ATOM 266 C CB . LEU A 1787 35 . 20.867 -7.965 -36.012 1.00 13.35 ? ? ? ? ? . 35 LEU A CB 1787 ATOM 267 C CG . LEU A 1787 35 . 21.421 -9.137 -35.205 1.00 14.48 ? ? ? ? ? . 35 LEU A CG 1787 ATOM 268 C CD1 . LEU A 1787 35 . 22.537 -8.757 -34.294 1.00 14.63 ? ? ? ? ? . 35 LEU A CD1 1787 ATOM 269 C CD2 . LEU A 1787 35 . 20.259 -9.707 -34.398 1.00 15.45 ? ? ? ? ? . 35 LEU A CD2 1787 ATOM 270 N N . THR A 1787 36 . 19.252 -7.258 -39.166 1.00 19.63 ? ? ? ? ? . 36 THR A N 1787 ATOM 271 C CA . THR A 1787 36 . 18.812 -6.165 -40.039 1.00 21.82 ? ? ? ? ? . 36 THR A CA 1787 ATOM 272 C C . THR A 1787 36 . 17.681 -6.603 -40.979 1.00 25.23 ? ? ? ? ? . 36 THR A C 1787 ATOM 273 O O . THR A 1787 36 . 17.471 -5.968 -42.006 1.00 25.91 ? ? ? ? ? . 36 THR A O 1787 ATOM 274 C CB . THR A 1787 36 . 19.973 -5.603 -40.890 1.00 21.53 ? ? ? ? ? . 36 THR A CB 1787 ATOM 275 C CG2 . THR A 1787 36 . 21.129 -5.074 -39.995 1.00 19.54 ? ? ? ? ? . 36 THR A CG2 1787 ATOM 276 O OG1 . THR A 1787 36 . 20.490 -6.589 -41.782 1.00 22.53 ? ? ? ? ? . 36 THR A OG1 1787 ATOM 277 N N . LYS A 1787 37 . 16.971 -7.671 -40.629 1.00 27.86 ? ? ? ? ? . 37 LYS A N 1787 ATOM 278 C CA . LYS A 1787 37 . 15.949 -8.250 -41.538 1.00 30.61 ? ? ? ? ? . 37 LYS A CA 1787 ATOM 279 C C . LYS A 1787 37 . 14.776 -7.328 -41.907 1.00 32.18 ? ? ? ? ? . 37 LYS A C 1787 ATOM 280 O O . LYS A 1787 37 . 14.547 -7.072 -43.099 1.00 33.67 ? ? ? ? ? . 37 LYS A O 1787 ATOM 281 C CB . LYS A 1787 37 . 15.421 -9.568 -40.978 1.00 31.14 ? ? ? ? ? . 37 LYS A CB 1787 ATOM 282 C CG . LYS A 1787 37 . 16.451 -10.696 -40.976 1.00 33.01 ? ? ? ? ? . 37 LYS A CG 1787 ATOM 283 C CD . LYS A 1787 37 . 16.897 -11.106 -42.381 1.00 35.63 ? ? ? ? ? . 37 LYS A CD 1787 ATOM 284 C CE . LYS A 1787 37 . 17.085 -12.620 -42.527 1.00 38.99 ? ? ? ? ? . 37 LYS A CE 1787 ATOM 285 N NZ . LYS A 1787 37 . 16.143 -13.473 -41.708 1.00 40.55 ? ? ? ? ? 1+ 37 LYS A NZ 1787 ATOM 286 N N . ASP A 1787 38 . 14.030 -6.852 -40.919 1.00 32.75 ? ? ? ? ? . 38 ASP A N 1787 ATOM 287 C CA . ASP A 1787 38 . 12.897 -5.940 -41.176 1.00 34.25 ? ? ? ? ? . 38 ASP A CA 1787 ATOM 288 C C . ASP A 1787 38 . 13.157 -4.506 -40.706 1.00 33.46 ? ? ? ? ? . 38 ASP A C 1787 ATOM 289 O O . ASP A 1787 38 . 12.508 -3.546 -41.146 1.00 34.83 ? ? ? ? ? . 38 ASP A O 1787 ATOM 290 C CB . ASP A 1787 38 . 11.640 -6.492 -40.503 1.00 35.27 ? ? ? ? ? . 38 ASP A CB 1787 ATOM 291 C CG . ASP A 1787 38 . 11.156 -7.788 -41.153 1.00 38.29 ? ? ? ? ? . 38 ASP A CG 1787 ATOM 292 O OD1 . ASP A 1787 38 . 11.069 -7.821 -42.401 1.00 42.20 ? ? ? ? ? . 38 ASP A OD1 1787 ATOM 293 O OD2 . ASP A 1787 38 . 10.901 -8.778 -40.423 1.00 44.13 ? ? ? ? ? 1- 38 ASP A OD2 1787 ATOM 294 N N . ARG A 1787 39 . 14.129 -4.372 -39.810 1.00 31.15 ? ? ? ? ? . 39 ARG A N 1787 ATOM 295 C CA . ARG A 1787 39 . 14.424 -3.118 -39.167 1.00 30.47 ? ? ? ? ? . 39 ARG A CA 1787 ATOM 296 C C . ARG A 1787 39 . 15.913 -3.249 -38.876 1.00 27.15 ? ? ? ? ? . 39 ARG A C 1787 ATOM 297 O O . ARG A 1787 39 . 16.420 -4.369 -38.791 1.00 26.61 ? ? ? ? ? . 39 ARG A O 1787 ATOM 298 C CB . ARG A 1787 39 . 13.577 -2.980 -37.889 1.00 30.92 ? ? ? ? ? . 39 ARG A CB 1787 ATOM 299 C CG . ARG A 1787 39 . 13.782 -1.737 -37.040 1.00 35.54 ? ? ? ? ? . 39 ARG A CG 1787 ATOM 300 C CD . ARG A 1787 39 . 14.075 -2.062 -35.537 1.00 38.44 ? ? ? ? ? . 39 ARG A CD 1787 ATOM 301 N NE . ARG A 1787 39 . 14.854 -3.295 -35.369 1.00 39.57 ? ? ? ? ? . 39 ARG A NE 1787 ATOM 302 C CZ . ARG A 1787 39 . 15.151 -3.876 -34.206 1.00 37.52 ? ? ? ? ? . 39 ARG A CZ 1787 ATOM 303 N NH1 . ARG A 1787 39 . 14.818 -3.330 -33.045 1.00 39.30 ? ? ? ? ? 1+ 39 ARG A NH1 1787 ATOM 304 N NH2 . ARG A 1787 39 . 15.838 -5.006 -34.213 1.00 41.17 ? ? ? ? ? . 39 ARG A NH2 1787 ATOM 305 N N . CYS A 1787 40 . 16.618 -2.121 -38.809 1.00 24.26 ? ? ? ? ? . 40 CYS A N 1787 ATOM 306 C CA . CYS A 1787 40 . 18.006 -2.103 -38.306 1.00 21.97 ? ? ? ? ? . 40 CYS A CA 1787 ATOM 307 C C . CYS A 1787 40 . 17.998 -2.136 -36.782 1.00 19.74 ? ? ? ? ? . 40 CYS A C 1787 ATOM 308 O O . CYS A 1787 40 . 17.488 -1.220 -36.128 1.00 20.69 ? ? ? ? ? . 40 CYS A O 1787 ATOM 309 C CB . CYS A 1787 40 . 18.778 -0.855 -38.756 1.00 21.57 ? ? ? ? ? . 40 CYS A CB 1787 ATOM 310 S SG . CYS A 1787 40 . 18.714 -0.438 -40.506 1.00 23.08 ? ? ? ? ? . 40 CYS A SG 1787 ATOM 311 N N . LYS A 1787 41 . 18.561 -3.181 -36.167 1.00 16.71 ? ? ? ? ? . 41 LYS A N 1787 ATOM 312 C CA . LYS A 1787 41 . 18.697 -3.171 -34.728 1.00 15.34 ? ? ? ? ? . 41 LYS A CA 1787 ATOM 313 C C . LYS A 1787 41 . 19.626 -2.012 -34.319 1.00 13.67 ? ? ? ? ? . 41 LYS A C 1787 ATOM 314 O O . LYS A 1787 41 . 20.717 -1.892 -34.874 1.00 14.74 ? ? ? ? ? . 41 LYS A O 1787 ATOM 315 C CB . LYS A 1787 41 . 19.209 -4.515 -34.196 1.00 14.14 ? ? ? ? ? . 41 LYS A CB 1787 ATOM 316 C CG . LYS A 1787 41 . 19.238 -4.594 -32.684 1.00 14.72 ? ? ? ? ? . 41 LYS A CG 1787 ATOM 317 C CD . LYS A 1787 41 . 19.658 -5.990 -32.172 1.00 16.15 ? ? ? ? ? . 41 LYS A CD 1787 ATOM 318 C CE . LYS A 1787 41 . 19.456 -6.168 -30.665 1.00 20.93 ? ? ? ? ? . 41 LYS A CE 1787 ATOM 319 N NZ . LYS A 1787 41 . 20.681 -6.060 -29.837 1.00 23.94 ? ? ? ? ? 1+ 41 LYS A NZ 1787 ATOM 320 N N . PRO A 1787 42 . 19.194 -1.140 -33.412 1.00 13.74 ? ? ? ? ? . 42 PRO A N 1787 ATOM 321 C CA . PRO A 1787 42 . 19.956 0.103 -33.254 1.00 14.03 ? ? ? ? ? . 42 PRO A CA 1787 ATOM 322 C C . PRO A 1787 42 . 21.297 -0.104 -32.592 1.00 13.01 ? ? ? ? ? . 42 PRO A C 1787 ATOM 323 O O . PRO A 1787 42 . 22.297 0.551 -33.033 1.00 13.40 ? ? ? ? ? . 42 PRO A O 1787 ATOM 324 C CB . PRO A 1787 42 . 19.033 0.985 -32.405 1.00 14.45 ? ? ? ? ? . 42 PRO A CB 1787 ATOM 325 C CG . PRO A 1787 42 . 17.685 0.466 -32.719 1.00 18.49 ? ? ? ? ? . 42 PRO A CG 1787 ATOM 326 C CD . PRO A 1787 42 . 17.838 -1.019 -32.822 1.00 15.01 ? ? ? ? ? . 42 PRO A CD 1787 ATOM 327 N N . VAL A 1787 43 . 21.373 -0.965 -31.582 1.00 12.42 ? ? ? ? ? . 43 VAL A N 1787 ATOM 328 C CA . VAL A 1787 43 . 22.577 -1.151 -30.800 1.00 11.55 ? ? ? ? ? . 43 VAL A CA 1787 ATOM 329 C C . VAL A 1787 43 . 22.758 -2.630 -30.515 1.00 11.78 ? ? ? ? ? . 43 VAL A C 1787 ATOM 330 O O . VAL A 1787 43 . 21.788 -3.311 -30.216 1.00 12.66 ? ? ? ? ? . 43 VAL A O 1787 ATOM 331 C CB . VAL A 1787 43 . 22.494 -0.403 -29.466 1.00 12.40 ? ? ? ? ? . 43 VAL A CB 1787 ATOM 332 C CG1 . VAL A 1787 43 . 23.643 -0.689 -28.564 1.00 13.23 ? ? ? ? ? . 43 VAL A CG1 1787 ATOM 333 C CG2 . VAL A 1787 43 . 22.292 1.093 -29.711 1.00 11.99 ? ? ? ? ? . 43 VAL A CG2 1787 ATOM 334 N N . ASN A 1787 44 . 23.963 -3.148 -30.649 1.00 10.23 ? ? ? ? ? . 44 ASN A N 1787 ATOM 335 C CA . ASN A 1787 44 . 24.230 -4.561 -30.371 1.00 9.86 ? ? ? ? ? . 44 ASN A CA 1787 ATOM 336 C C . ASN A 1787 44 . 25.682 -4.810 -30.070 1.00 8.66 ? ? ? ? ? . 44 ASN A C 1787 ATOM 337 O O . ASN A 1787 44 . 26.534 -4.396 -30.839 1.00 11.23 ? ? ? ? ? . 44 ASN A O 1787 ATOM 338 C CB . ASN A 1787 44 . 23.809 -5.431 -31.551 1.00 10.67 ? ? ? ? ? . 44 ASN A CB 1787 ATOM 339 C CG . ASN A 1787 44 . 23.789 -6.894 -31.194 1.00 11.71 ? ? ? ? ? . 44 ASN A CG 1787 ATOM 340 N ND2 . ASN A 1787 44 . 24.737 -7.658 -31.716 1.00 11.13 ? ? ? ? ? . 44 ASN A ND2 1787 ATOM 341 O OD1 . ASN A 1787 44 . 22.892 -7.334 -30.429 1.00 14.14 ? ? ? ? ? . 44 ASN A OD1 1787 ATOM 342 N N . THR A 1787 45 . 25.977 -5.551 -29.007 1.00 9.38 ? ? ? ? ? . 45 THR A N 1787 ATOM 343 C CA . THR A 1787 45 . 27.344 -5.875 -28.616 1.00 8.75 ? ? ? ? ? . 45 THR A CA 1787 ATOM 344 C C . THR A 1787 45 . 27.689 -7.317 -28.912 1.00 8.44 ? ? ? ? ? . 45 THR A C 1787 ATOM 345 O O . THR A 1787 45 . 26.892 -8.219 -28.606 1.00 8.98 ? ? ? ? ? . 45 THR A O 1787 ATOM 346 C CB . THR A 1787 45 . 27.575 -5.610 -27.127 1.00 8.96 ? ? ? ? ? . 45 THR A CB 1787 ATOM 347 C CG2 . THR A 1787 45 . 28.972 -5.913 -26.707 1.00 10.08 ? ? ? ? ? . 45 THR A CG2 1787 ATOM 348 O OG1 . THR A 1787 45 . 27.313 -4.234 -26.832 1.00 13.63 ? ? ? ? ? . 45 THR A OG1 1787 ATOM 349 N N . PHE A 1787 46 . 28.837 -7.592 -29.541 1.00 7.31 ? ? ? ? ? . 46 PHE A N 1787 ATOM 350 C CA . PHE A 1787 46 . 29.391 -8.921 -29.711 1.00 7.55 ? ? ? ? ? . 46 PHE A CA 1787 ATOM 351 C C . PHE A 1787 46 . 30.564 -9.132 -28.811 1.00 8.00 ? ? ? ? ? . 46 PHE A C 1787 ATOM 352 O O . PHE A 1787 46 . 31.405 -8.241 -28.599 1.00 8.05 ? ? ? ? ? . 46 PHE A O 1787 ATOM 353 C CB . PHE A 1787 46 . 29.830 -9.087 -31.184 1.00 7.63 ? ? ? ? ? . 46 PHE A CB 1787 ATOM 354 C CG . PHE A 1787 46 . 28.707 -9.121 -32.160 1.00 8.16 ? ? ? ? ? . 46 PHE A CG 1787 ATOM 355 C CD1 . PHE A 1787 46 . 27.910 -10.250 -32.309 1.00 11.37 ? ? ? ? ? . 46 PHE A CD1 1787 ATOM 356 C CD2 . PHE A 1787 46 . 28.411 -8.005 -32.952 1.00 9.76 ? ? ? ? ? . 46 PHE A CD2 1787 ATOM 357 C CE1 . PHE A 1787 46 . 26.895 -10.281 -33.206 1.00 11.89 ? ? ? ? ? . 46 PHE A CE1 1787 ATOM 358 C CE2 . PHE A 1787 46 . 27.391 -8.063 -33.856 1.00 11.14 ? ? ? ? ? . 46 PHE A CE2 1787 ATOM 359 C CZ . PHE A 1787 46 . 26.611 -9.201 -33.969 1.00 10.87 ? ? ? ? ? . 46 PHE A CZ 1787 ATOM 360 N N . VAL A 1787 47 . 30.628 -10.316 -28.209 1.00 7.77 ? ? ? ? ? . 47 VAL A N 1787 ATOM 361 C CA . VAL A 1787 47 . 31.686 -10.705 -27.303 1.00 7.59 ? ? ? ? ? . 47 VAL A CA 1787 ATOM 362 C C . VAL A 1787 47 . 32.652 -11.669 -27.967 1.00 8.46 ? ? ? ? ? . 47 VAL A C 1787 ATOM 363 O O . VAL A 1787 47 . 32.215 -12.717 -28.418 1.00 9.21 ? ? ? ? ? . 47 VAL A O 1787 ATOM 364 C CB . VAL A 1787 47 . 31.122 -11.320 -26.017 1.00 7.94 ? ? ? ? ? . 47 VAL A CB 1787 ATOM 365 C CG1 . VAL A 1787 47 . 32.249 -11.567 -25.030 1.00 9.12 ? ? ? ? ? . 47 VAL A CG1 1787 ATOM 366 C CG2 . VAL A 1787 47 . 30.110 -10.377 -25.365 1.00 9.24 ? ? ? ? ? . 47 VAL A CG2 1787 ATOM 367 N N . HIS A 1787 48 . 33.932 -11.367 -27.938 1.00 8.27 ? ? ? ? ? . 48 HIS A N 1787 ATOM 368 C CA . HIS A 1787 48 . 35.000 -12.167 -28.586 1.00 8.57 ? ? ? ? ? . 48 HIS A CA 1787 ATOM 369 C C . HIS A 1787 48 . 35.726 -13.007 -27.557 1.00 9.69 ? ? ? ? ? . 48 HIS A C 1787 ATOM 370 O O . HIS A 1787 48 . 36.929 -12.799 -27.217 1.00 10.95 ? ? ? ? ? . 48 HIS A O 1787 ATOM 371 C CB . HIS A 1787 48 . 35.950 -11.226 -29.308 1.00 9.23 ? ? ? ? ? . 48 HIS A CB 1787 ATOM 372 C CG . HIS A 1787 48 . 35.252 -10.286 -30.221 1.00 9.94 ? ? ? ? ? . 48 HIS A CG 1787 ATOM 373 C CD2 . HIS A 1787 48 . 35.274 -8.952 -30.270 1.00 9.79 ? ? ? ? ? . 48 HIS A CD2 1787 ATOM 374 N ND1 . HIS A 1787 48 . 34.258 -10.684 -31.109 1.00 17.54 ? ? ? ? ? . 48 HIS A ND1 1787 ATOM 375 C CE1 . HIS A 1787 48 . 33.800 -9.617 -31.737 1.00 17.28 ? ? ? ? ? . 48 HIS A CE1 1787 ATOM 376 N NE2 . HIS A 1787 48 . 34.478 -8.567 -31.308 1.00 13.79 ? ? ? ? ? . 48 HIS A NE2 1787 ATOM 377 N N . GLU A 1787 49 . 34.962 -13.906 -26.990 1.00 8.63 ? ? ? ? ? . 49 GLU A N 1787 ATOM 378 C CA . GLU A 1787 49 . 35.488 -14.898 -26.049 1.00 8.50 ? ? ? ? ? . 49 GLU A CA 1787 ATOM 379 C C . GLU A 1787 49 . 34.759 -16.205 -26.336 1.00 8.62 ? ? ? ? ? . 49 GLU A C 1787 ATOM 380 O O . GLU A 1787 49 . 33.766 -16.207 -27.056 1.00 9.67 ? ? ? ? ? . 49 GLU A O 1787 ATOM 381 C CB . GLU A 1787 49 . 35.258 -14.462 -24.580 1.00 8.85 ? ? ? ? ? . 49 GLU A CB 1787 ATOM 382 C CG . GLU A 1787 49 . 35.856 -13.111 -24.235 1.00 9.18 ? ? ? ? ? . 49 GLU A CG 1787 ATOM 383 C CD . GLU A 1787 49 . 37.381 -13.028 -24.327 1.00 10.70 ? ? ? ? ? . 49 GLU A CD 1787 ATOM 384 O OE1 . GLU A 1787 49 . 38.102 -14.069 -24.416 1.00 11.36 ? ? ? ? ? . 49 GLU A OE1 1787 ATOM 385 O OE2 . GLU A 1787 49 . 37.912 -11.884 -24.273 1.00 11.28 ? ? ? ? ? 1- 49 GLU A OE2 1787 ATOM 386 N N . SER A 1787 50 . 35.206 -17.290 -25.742 1.00 8.41 ? ? ? ? ? . 50 SER A N 1787 ATOM 387 C CA . SER A 1787 50 . 34.574 -18.575 -25.950 1.00 7.71 ? ? ? ? ? . 50 SER A CA 1787 ATOM 388 C C . SER A 1787 50 . 33.167 -18.507 -25.353 1.00 7.90 ? ? ? ? ? . 50 SER A C 1787 ATOM 389 O O . SER A 1787 50 . 32.898 -17.792 -24.366 1.00 8.05 ? ? ? ? ? . 50 SER A O 1787 ATOM 390 C CB . SER A 1787 50 . 35.400 -19.666 -25.318 1.00 8.21 ? ? ? ? ? . 50 SER A CB 1787 ATOM 391 O OG . SER A 1787 50 . 35.395 -19.581 -23.892 1.00 11.13 ? ? ? ? ? . 50 SER A OG 1787 ATOM 392 N N . LEU A 1787 51 . 32.257 -19.341 -25.872 1.00 8.63 ? ? ? ? ? . 51 LEU A N 1787 ATOM 393 C CA . LEU A 1787 51 . 30.938 -19.505 -25.286 1.00 9.12 ? ? ? ? ? . 51 LEU A CA 1787 ATOM 394 C C . LEU A 1787 51 . 31.056 -19.928 -23.820 1.00 8.98 ? ? ? ? ? . 51 LEU A C 1787 ATOM 395 O O . LEU A 1787 51 . 30.353 -19.425 -22.976 1.00 9.23 ? ? ? ? ? . 51 LEU A O 1787 ATOM 396 C CB . LEU A 1787 51 . 30.107 -20.486 -26.131 1.00 9.82 ? ? ? ? ? . 51 LEU A CB 1787 ATOM 397 C CG . LEU A 1787 51 . 28.689 -20.723 -25.607 1.00 11.47 ? ? ? ? ? . 51 LEU A CG 1787 ATOM 398 C CD1 . LEU A 1787 51 . 27.913 -19.431 -25.567 1.00 12.00 ? ? ? ? ? . 51 LEU A CD1 1787 ATOM 399 C CD2 . LEU A 1787 51 . 27.989 -21.817 -26.459 1.00 12.61 ? ? ? ? ? . 51 LEU A CD2 1787 ATOM 400 N N . ALA A 1787 52 . 31.993 -20.831 -23.545 1.00 8.61 ? ? ? ? ? . 52 ALA A N 1787 ATOM 401 C CA . ALA A 1787 52 . 32.149 -21.285 -22.153 1.00 8.28 ? ? ? ? ? . 52 ALA A CA 1787 ATOM 402 C C . ALA A 1787 52 . 32.525 -20.126 -21.237 1.00 7.86 ? ? ? ? ? . 52 ALA A C 1787 ATOM 403 O O . ALA A 1787 52 . 32.003 -20.055 -20.131 1.00 10.15 ? ? ? ? ? . 52 ALA A O 1787 ATOM 404 C CB . ALA A 1787 52 . 33.206 -22.386 -22.073 1.00 9.80 ? ? ? ? ? . 52 ALA A CB 1787 ATOM 405 N N . ASP A 1787 53 . 33.409 -19.229 -21.672 1.00 8.22 ? ? ? ? ? . 53 ASP A N 1787 ATOM 406 C CA . ASP A 1787 53 . 33.829 -18.144 -20.784 1.00 8.36 ? ? ? ? ? . 53 ASP A CA 1787 ATOM 407 C C . ASP A 1787 53 . 32.668 -17.184 -20.512 1.00 7.95 ? ? ? ? ? . 53 ASP A C 1787 ATOM 408 O O . ASP A 1787 53 . 32.552 -16.597 -19.445 1.00 9.08 ? ? ? ? ? . 53 ASP A O 1787 ATOM 409 C CB . ASP A 1787 53 . 34.964 -17.350 -21.435 1.00 9.31 ? ? ? ? ? . 53 ASP A CB 1787 ATOM 410 C CG . ASP A 1787 53 . 36.335 -17.963 -21.232 1.00 11.43 ? ? ? ? ? . 53 ASP A CG 1787 ATOM 411 O OD1 . ASP A 1787 53 . 36.421 -19.060 -20.650 1.00 13.93 ? ? ? ? ? . 53 ASP A OD1 1787 ATOM 412 O OD2 . ASP A 1787 53 . 37.338 -17.304 -21.636 1.00 15.50 ? ? ? ? ? 1- 53 ASP A OD2 1787 ATOM 413 N N . VAL A 1787 54 . 31.823 -16.967 -21.523 1.00 7.69 ? ? ? ? ? . 54 VAL A N 1787 ATOM 414 C CA . VAL A 1787 54 . 30.669 -16.082 -21.356 1.00 7.79 ? ? ? ? ? . 54 VAL A CA 1787 ATOM 415 C C . VAL A 1787 54 . 29.611 -16.757 -20.496 1.00 8.12 ? ? ? ? ? . 54 VAL A C 1787 ATOM 416 O O . VAL A 1787 54 . 29.036 -16.132 -19.573 1.00 8.21 ? ? ? ? ? . 54 VAL A O 1787 ATOM 417 C CB . VAL A 1787 54 . 30.123 -15.611 -22.715 1.00 5.70 ? ? ? ? ? . 54 VAL A CB 1787 ATOM 418 C CG1 . VAL A 1787 54 . 28.852 -14.782 -22.544 1.00 8.17 ? ? ? ? ? . 54 VAL A CG1 1787 ATOM 419 C CG2 . VAL A 1787 54 . 31.161 -14.721 -23.428 1.00 8.82 ? ? ? ? ? . 54 VAL A CG2 1787 ATOM 420 N N . GLN A 1787 55 . 29.351 -18.060 -20.713 1.00 7.15 ? ? ? ? ? . 55 GLN A N 1787 ATOM 421 C CA . GLN A 1787 55 . 28.437 -18.766 -19.838 1.00 8.31 ? ? ? ? ? . 55 GLN A CA 1787 ATOM 422 C C . GLN A 1787 55 . 28.885 -18.755 -18.376 1.00 8.15 ? ? ? ? ? . 55 GLN A C 1787 ATOM 423 O O . GLN A 1787 55 . 28.064 -18.741 -17.464 1.00 9.83 ? ? ? ? ? . 55 GLN A O 1787 ATOM 424 C CB . GLN A 1787 55 . 28.268 -20.210 -20.331 1.00 8.12 ? ? ? ? ? . 55 GLN A CB 1787 ATOM 425 C CG . GLN A 1787 55 . 27.502 -20.343 -21.621 1.00 9.94 ? ? ? ? ? . 55 GLN A CG 1787 ATOM 426 C CD . GLN A 1787 55 . 27.589 -21.738 -22.235 1.00 10.96 ? ? ? ? ? . 55 GLN A CD 1787 ATOM 427 N NE2 . GLN A 1787 55 . 26.573 -22.054 -23.010 1.00 11.18 ? ? ? ? ? . 55 GLN A NE2 1787 ATOM 428 O OE1 . GLN A 1787 55 . 28.530 -22.507 -22.016 1.00 12.74 ? ? ? ? ? . 55 GLN A OE1 1787 ATOM 429 N N . ALA A 1787 56 . 30.196 -18.829 -18.170 1.00 7.95 ? ? ? ? ? . 56 ALA A N 1787 ATOM 430 C CA . ALA A 1787 56 . 30.763 -18.824 -16.824 1.00 7.60 ? ? ? ? ? . 56 ALA A CA 1787 ATOM 431 C C . ALA A 1787 56 . 30.437 -17.553 -16.017 1.00 8.16 ? ? ? ? ? . 56 ALA A C 1787 ATOM 432 O O . ALA A 1787 56 . 30.464 -17.571 -14.791 1.00 8.96 ? ? ? ? ? . 56 ALA A O 1787 ATOM 433 C CB . ALA A 1787 56 . 32.248 -19.053 -16.852 1.00 8.35 ? ? ? ? ? . 56 ALA A CB 1787 ATOM 434 N N . VAL A 1787 57 . 30.132 -16.463 -16.718 1.00 8.43 ? ? ? ? ? . 57 VAL A N 1787 ATOM 435 C CA . VAL A 1787 57 . 29.794 -15.230 -16.060 1.00 8.19 ? ? ? ? ? . 57 VAL A CA 1787 ATOM 436 C C . VAL A 1787 57 . 28.607 -15.410 -15.158 1.00 8.43 ? ? ? ? ? . 57 VAL A C 1787 ATOM 437 O O . VAL A 1787 57 . 28.492 -14.712 -14.119 1.00 8.27 ? ? ? ? ? . 57 VAL A O 1787 ATOM 438 C CB . VAL A 1787 57 . 29.651 -14.096 -17.060 1.00 7.82 ? ? ? ? ? . 57 VAL A CB 1787 ATOM 439 C CG1 . VAL A 1787 57 . 29.182 -12.803 -16.350 1.00 9.56 ? ? ? ? ? . 57 VAL A CG1 1787 ATOM 440 C CG2 . VAL A 1787 57 . 30.938 -13.865 -17.772 1.00 8.51 ? ? ? ? ? . 57 VAL A CG2 1787 ATOM 441 N N . CYS A 1787 58 . 27.692 -16.321 -15.497 1.00 8.57 ? ? ? ? ? . 58 CYS A N 1787 ATOM 442 C CA . CYS A 1787 58 . 26.479 -16.516 -14.654 1.00 9.75 ? ? ? ? ? . 58 CYS A CA 1787 ATOM 443 C C . CYS A 1787 58 . 26.752 -17.069 -13.256 1.00 10.43 ? ? ? ? ? . 58 CYS A C 1787 ATOM 444 O O . CYS A 1787 58 . 25.834 -17.150 -12.452 1.00 11.49 ? ? ? ? ? . 58 CYS A O 1787 ATOM 445 C CB . CYS A 1787 58 . 25.475 -17.425 -15.354 1.00 9.04 ? ? ? ? ? . 58 CYS A CB 1787 ATOM 446 S SG . CYS A 1787 58 . 24.878 -16.877 -16.954 1.00 14.05 ? ? ? ? ? . 58 CYS A SG 1787 ATOM 447 N N . SER A 1787 59 . 27.987 -17.463 -12.969 1.00 10.20 ? ? ? ? ? . 59 SER A N 1787 ATOM 448 C CA . SER A 1787 59 . 28.414 -17.824 -11.620 1.00 10.96 ? ? ? ? ? . 59 SER A CA 1787 ATOM 449 C C . SER A 1787 59 . 29.455 -16.867 -11.039 1.00 11.49 ? ? ? ? ? . 59 SER A C 1787 ATOM 450 O O . SER A 1787 59 . 30.074 -17.173 -10.026 1.00 12.10 ? ? ? ? ? . 59 SER A O 1787 ATOM 451 C CB . SER A 1787 59 . 28.989 -19.256 -11.595 1.00 13.56 ? ? ? ? ? . 59 SER A CB 1787 ATOM 452 O OG . SER A 1787 59 . 27.977 -20.185 -11.878 0.50 17.13 ? ? ? ? ? . 59 SER A OG 1787 ATOM 453 N N . GLN A 1787 60 . 29.593 -15.672 -11.624 1.00 10.37 ? ? ? ? ? . 60 GLN A N 1787 ATOM 454 C CA . GLN A 1787 60 . 30.534 -14.643 -11.177 1.00 9.43 ? ? ? ? ? . 60 GLN A CA 1787 ATOM 455 C C . GLN A 1787 60 . 29.813 -13.594 -10.335 1.00 10.24 ? ? ? ? ? . 60 GLN A C 1787 ATOM 456 O O . GLN A 1787 60 . 29.086 -13.985 -9.466 1.00 11.83 ? ? ? ? ? . 60 GLN A O 1787 ATOM 457 C CB . GLN A 1787 60 . 31.356 -14.119 -12.373 1.00 7.88 ? ? ? ? ? . 60 GLN A CB 1787 ATOM 458 C CG . GLN A 1787 60 . 32.249 -15.286 -12.928 1.00 10.19 ? ? ? ? ? . 60 GLN A CG 1787 ATOM 459 C CD . GLN A 1787 60 . 33.029 -14.994 -14.181 1.00 9.29 ? ? ? ? ? . 60 GLN A CD 1787 ATOM 460 N NE2 . GLN A 1787 60 . 33.468 -16.068 -14.856 1.00 10.15 ? ? ? ? ? . 60 GLN A NE2 1787 ATOM 461 O OE1 . GLN A 1787 60 . 33.269 -13.858 -14.533 1.00 9.26 ? ? ? ? ? . 60 GLN A OE1 1787 ATOM 462 N N . LYS A 1787 61 . 30.081 -12.295 -10.498 1.00 10.33 ? ? ? ? ? . 61 LYS A N 1787 ATOM 463 C CA . LYS A 1787 61 . 29.605 -11.307 -9.505 1.00 10.88 ? ? ? ? ? . 61 LYS A CA 1787 ATOM 464 C C . LYS A 1787 61 . 28.149 -10.948 -9.728 1.00 11.59 ? ? ? ? ? . 61 LYS A C 1787 ATOM 465 O O . LYS A 1787 61 . 27.845 -10.384 -10.759 1.00 11.57 ? ? ? ? ? . 61 LYS A O 1787 ATOM 466 C CB . LYS A 1787 61 . 30.462 -10.038 -9.602 1.00 11.11 ? ? ? ? ? . 61 LYS A CB 1787 ATOM 467 C CG . LYS A 1787 61 . 30.293 -9.014 -8.496 1.00 11.30 ? ? ? ? ? . 61 LYS A CG 1787 ATOM 468 C CD . LYS A 1787 61 . 30.804 -9.523 -7.177 1.00 13.02 ? ? ? ? ? . 61 LYS A CD 1787 ATOM 469 C CE . LYS A 1787 61 . 30.648 -8.480 -6.089 1.00 15.18 ? ? ? ? ? . 61 LYS A CE 1787 ATOM 470 N NZ . LYS A 1787 61 . 31.416 -8.878 -4.884 1.00 15.78 ? ? ? ? ? 1+ 61 LYS A NZ 1787 ATOM 471 N N . ASN A 1787 62 . 27.292 -11.247 -8.769 1.00 11.41 ? ? ? ? ? . 62 ASN A N 1787 ATOM 472 C CA . ASN A 1787 62 . 25.877 -10.867 -8.911 1.00 12.72 ? ? ? ? ? . 62 ASN A CA 1787 ATOM 473 C C . ASN A 1787 62 . 25.715 -9.352 -8.658 1.00 14.16 ? ? ? ? ? . 62 ASN A C 1787 ATOM 474 O O . ASN A 1787 62 . 26.172 -8.806 -7.627 1.00 15.42 ? ? ? ? ? . 62 ASN A O 1787 ATOM 475 C CB . ASN A 1787 62 . 25.078 -11.736 -7.938 1.00 13.41 ? ? ? ? ? . 62 ASN A CB 1787 ATOM 476 C CG . ASN A 1787 62 . 23.574 -11.571 -8.017 1.00 15.55 ? ? ? ? ? . 62 ASN A CG 1787 ATOM 477 N ND2 . ASN A 1787 62 . 22.994 -11.443 -9.198 1.00 14.32 ? ? ? ? ? . 62 ASN A ND2 1787 ATOM 478 O OD1 . ASN A 1787 62 . 22.921 -11.679 -6.944 1.00 21.72 ? ? ? ? ? . 62 ASN A OD1 1787 ATOM 479 N N . VAL A 1787 63 . 25.123 -8.676 -9.647 1.00 13.43 ? ? ? ? ? . 63 VAL A N 1787 ATOM 480 C CA . VAL A 1787 63 . 24.935 -7.206 -9.634 1.00 14.06 ? ? ? ? ? . 63 VAL A CA 1787 ATOM 481 C C . VAL A 1787 63 . 23.549 -6.890 -10.123 1.00 15.25 ? ? ? ? ? . 63 VAL A C 1787 ATOM 482 O O . VAL A 1787 63 . 22.942 -7.692 -10.787 1.00 16.45 ? ? ? ? ? . 63 VAL A O 1787 ATOM 483 C CB . VAL A 1787 63 . 25.951 -6.453 -10.496 1.00 13.64 ? ? ? ? ? . 63 VAL A CB 1787 ATOM 484 C CG1 . VAL A 1787 63 . 27.379 -6.710 -10.032 1.00 16.84 ? ? ? ? ? . 63 VAL A CG1 1787 ATOM 485 C CG2 . VAL A 1787 63 . 25.784 -6.813 -11.974 1.00 14.00 ? ? ? ? ? . 63 VAL A CG2 1787 ATOM 486 N N . ALA A 1787 64 . 23.003 -5.728 -9.731 1.00 15.69 ? ? ? ? ? . 64 ALA A N 1787 ATOM 487 C CA . ALA A 1787 64 . 21.702 -5.312 -10.284 1.00 16.82 ? ? ? ? ? . 64 ALA A CA 1787 ATOM 488 C C . ALA A 1787 64 . 21.779 -5.161 -11.798 1.00 14.99 ? ? ? ? ? . 64 ALA A C 1787 ATOM 489 O O . ALA A 1787 64 . 22.792 -4.672 -12.334 1.00 15.77 ? ? ? ? ? . 64 ALA A O 1787 ATOM 490 C CB . ALA A 1787 64 . 21.258 -3.984 -9.656 1.00 17.19 ? ? ? ? ? . 64 ALA A CB 1787 ATOM 491 N N . CYS A 1787 65 . 20.696 -5.529 -12.493 1.00 18.35 ? ? ? ? ? . 65 CYS A N 1787 ATOM 492 C CA . CYS A 1787 65 . 20.455 -5.139 -13.875 1.00 18.04 ? ? ? ? ? . 65 CYS A CA 1787 ATOM 493 C C . CYS A 1787 65 . 19.905 -3.721 -13.922 1.00 19.10 ? ? ? ? ? . 65 CYS A C 1787 ATOM 494 O O . CYS A 1787 65 . 19.332 -3.250 -12.948 1.00 17.75 ? ? ? ? ? . 65 CYS A O 1787 ATOM 495 C CB . CYS A 1787 65 . 19.405 -6.036 -14.523 1.00 19.25 ? ? ? ? ? . 65 CYS A CB 1787 ATOM 496 S SG . CYS A 1787 65 . 19.639 -7.854 -14.348 1.00 21.62 ? ? ? ? ? . 65 CYS A SG 1787 ATOM 497 N N . LYS A 1787 66 . 20.074 -3.077 -15.072 1.00 20.05 ? ? ? ? ? . 66 LYS A N 1787 ATOM 498 C CA . LYS A 1787 66 . 19.604 -1.684 -15.248 1.00 22.28 ? ? ? ? ? . 66 LYS A CA 1787 ATOM 499 C C . LYS A 1787 66 . 18.128 -1.588 -14.895 1.00 24.33 ? ? ? ? ? . 66 LYS A C 1787 ATOM 500 O O . LYS A 1787 66 . 17.690 -0.592 -14.336 1.00 23.80 ? ? ? ? ? . 66 LYS A O 1787 ATOM 501 C CB . LYS A 1787 66 . 19.897 -1.194 -16.685 1.00 23.42 ? ? ? ? ? . 66 LYS A CB 1787 ATOM 502 C CG . LYS A 1787 66 . 21.367 -0.714 -16.873 1.00 26.87 ? ? ? ? ? . 66 LYS A CG 1787 ATOM 503 C CD . LYS A 1787 66 . 21.739 -0.199 -18.299 1.00 29.64 ? ? ? ? ? . 66 LYS A CD 1787 ATOM 504 C CE . LYS A 1787 66 . 23.239 0.328 -18.340 1.00 31.13 ? ? ? ? ? . 66 LYS A CE 1787 ATOM 505 N NZ . LYS A 1787 66 . 23.653 1.016 -19.664 1.00 33.18 ? ? ? ? ? 1+ 66 LYS A NZ 1787 ATOM 506 N N . ASN A 1787 67 . 17.386 -2.658 -15.166 1.00 23.89 ? ? ? ? ? . 67 ASN A N 1787 ATOM 507 C CA . ASN A 1787 67 . 15.949 -2.666 -14.943 1.00 26.09 ? ? ? ? ? . 67 ASN A CA 1787 ATOM 508 C C . ASN A 1787 67 . 15.522 -3.043 -13.528 1.00 26.10 ? ? ? ? ? . 67 ASN A C 1787 ATOM 509 O O . ASN A 1787 67 . 14.318 -3.161 -13.268 1.00 29.11 ? ? ? ? ? . 67 ASN A O 1787 ATOM 510 C CB . ASN A 1787 67 . 15.260 -3.565 -15.986 1.00 25.87 ? ? ? ? ? . 67 ASN A CB 1787 ATOM 511 C CG . ASN A 1787 67 . 15.468 -5.057 -15.713 1.00 27.36 ? ? ? ? ? . 67 ASN A CG 1787 ATOM 512 N ND2 . ASN A 1787 67 . 14.921 -5.885 -16.584 1.00 29.54 ? ? ? ? ? . 67 ASN A ND2 1787 ATOM 513 O OD1 . ASN A 1787 67 . 16.103 -5.454 -14.735 1.00 26.63 ? ? ? ? ? . 67 ASN A OD1 1787 ATOM 514 N N . GLY A 1787 68 . 16.486 -3.221 -12.614 1.00 25.67 ? ? ? ? ? . 68 GLY A N 1787 ATOM 515 C CA . GLY A 1787 68 . 16.210 -3.516 -11.216 1.00 25.60 ? ? ? ? ? . 68 GLY A CA 1787 ATOM 516 C C . GLY A 1787 68 . 16.050 -4.989 -10.851 1.00 26.13 ? ? ? ? ? . 68 GLY A C 1787 ATOM 517 O O . GLY A 1787 68 . 15.959 -5.351 -9.670 1.00 26.38 ? ? ? ? ? . 68 GLY A O 1787 ATOM 518 N N . GLN A 1787 69 . 16.060 -5.862 -11.850 1.00 25.39 ? ? ? ? ? . 69 GLN A N 1787 ATOM 519 C CA . GLN A 1787 69 . 16.027 -7.290 -11.570 1.00 25.89 ? ? ? ? ? . 69 GLN A CA 1787 ATOM 520 C C . GLN A 1787 69 . 17.379 -7.717 -11.008 1.00 23.83 ? ? ? ? ? . 69 GLN A C 1787 ATOM 521 O O . GLN A 1787 69 . 18.363 -7.001 -11.206 1.00 24.64 ? ? ? ? ? . 69 GLN A O 1787 ATOM 522 C CB . GLN A 1787 69 . 15.703 -8.064 -12.833 1.00 26.33 ? ? ? ? ? . 69 GLN A CB 1787 ATOM 523 C CG . GLN A 1787 69 . 14.309 -7.784 -13.350 1.00 30.78 ? ? ? ? ? . 69 GLN A CG 1787 ATOM 524 C CD . GLN A 1787 69 . 13.666 -9.001 -13.931 1.00 36.62 ? ? ? ? ? . 69 GLN A CD 1787 ATOM 525 N NE2 . GLN A 1787 69 . 12.989 -9.776 -13.080 1.00 39.86 ? ? ? ? ? . 69 GLN A NE2 1787 ATOM 526 O OE1 . GLN A 1787 69 . 13.782 -9.260 -15.130 1.00 41.18 ? ? ? ? ? . 69 GLN A OE1 1787 ATOM 527 N N . THR A 1787 70 . 17.418 -8.857 -10.333 1.00 22.76 ? ? ? ? ? . 70 THR A N 1787 ATOM 528 C CA . THR A 1787 70 . 18.628 -9.284 -9.580 1.00 23.47 ? ? ? ? ? . 70 THR A CA 1787 ATOM 529 C C . THR A 1787 70 . 19.310 -10.568 -10.136 1.00 21.00 ? ? ? ? ? . 70 THR A C 1787 ATOM 530 O O . THR A 1787 70 . 20.023 -11.315 -9.410 1.00 20.18 ? ? ? ? ? . 70 THR A O 1787 ATOM 531 C CB . THR A 1787 70 . 18.285 -9.475 -8.133 1.00 25.99 ? ? ? ? ? . 70 THR A CB 1787 ATOM 532 C CG2 . THR A 1787 70 . 17.648 -8.175 -7.584 1.00 27.81 ? ? ? ? ? . 70 THR A CG2 1787 ATOM 533 O OG1 . THR A 1787 70 . 17.359 -10.561 -8.018 1.00 30.20 ? ? ? ? ? . 70 THR A OG1 1787 ATOM 534 N N . ASN A 1787 71 . 19.064 -10.825 -11.427 1.00 17.55 ? ? ? ? ? . 71 ASN A N 1787 ATOM 535 C CA . ASN A 1787 71 . 19.654 -12.006 -12.103 1.00 16.54 ? ? ? ? ? . 71 ASN A CA 1787 ATOM 536 C C . ASN A 1787 71 . 20.763 -11.589 -13.050 1.00 14.67 ? ? ? ? ? . 71 ASN A C 1787 ATOM 537 O O . ASN A 1787 71 . 21.020 -12.275 -14.044 1.00 13.51 ? ? ? ? ? . 71 ASN A O 1787 ATOM 538 C CB . ASN A 1787 71 . 18.562 -12.817 -12.825 1.00 15.89 ? ? ? ? ? . 71 ASN A CB 1787 ATOM 539 C CG . ASN A 1787 71 . 17.896 -12.053 -13.945 1.00 16.59 ? ? ? ? ? . 71 ASN A CG 1787 ATOM 540 N ND2 . ASN A 1787 71 . 17.618 -12.748 -15.069 1.00 15.38 ? ? ? ? ? . 71 ASN A ND2 1787 ATOM 541 O OD1 . ASN A 1787 71 . 17.633 -10.861 -13.836 1.00 17.97 ? ? ? ? ? . 71 ASN A OD1 1787 ATOM 542 N N . CYS A 1787 72 . 21.463 -10.481 -12.766 1.00 13.75 ? ? ? ? ? . 72 CYS A N 1787 ATOM 543 C CA . CYS A 1787 72 . 22.557 -10.017 -13.580 1.00 13.29 ? ? ? ? ? . 72 CYS A CA 1787 ATOM 544 C C . CYS A 1787 72 . 23.887 -10.329 -12.920 1.00 11.17 ? ? ? ? ? . 72 CYS A C 1787 ATOM 545 O O . CYS A 1787 72 . 23.993 -10.428 -11.691 1.00 11.10 ? ? ? ? ? . 72 CYS A O 1787 ATOM 546 C CB . CYS A 1787 72 . 22.514 -8.538 -13.901 1.00 12.43 ? ? ? ? ? . 72 CYS A CB 1787 ATOM 547 S SG . CYS A 1787 72 . 21.385 -8.149 -15.304 1.00 19.38 ? ? ? ? ? . 72 CYS A SG 1787 ATOM 548 N N . TYR A 1787 73 . 24.862 -10.600 -13.758 1.00 10.10 ? ? ? ? ? . 73 TYR A N 1787 ATOM 549 C CA . TYR A 1787 73 . 26.212 -10.964 -13.349 1.00 10.22 ? ? ? ? ? . 73 TYR A CA 1787 ATOM 550 C C . TYR A 1787 73 . 27.235 -10.205 -14.151 1.00 10.26 ? ? ? ? ? . 73 TYR A C 1787 ATOM 551 O O . TYR A 1787 73 . 27.102 -10.057 -15.341 1.00 10.18 ? ? ? ? ? . 73 TYR A O 1787 ATOM 552 C CB . TYR A 1787 73 . 26.427 -12.478 -13.546 1.00 10.84 ? ? ? ? ? . 73 TYR A CB 1787 ATOM 553 C CG . TYR A 1787 73 . 25.544 -13.249 -12.626 1.00 10.11 ? ? ? ? ? . 73 TYR A CG 1787 ATOM 554 C CD1 . TYR A 1787 73 . 24.207 -13.455 -12.951 1.00 14.13 ? ? ? ? ? . 73 TYR A CD1 1787 ATOM 555 C CD2 . TYR A 1787 73 . 26.019 -13.714 -11.410 1.00 11.30 ? ? ? ? ? . 73 TYR A CD2 1787 ATOM 556 C CE1 . TYR A 1787 73 . 23.381 -14.127 -12.089 1.00 17.18 ? ? ? ? ? . 73 TYR A CE1 1787 ATOM 557 C CE2 . TYR A 1787 73 . 25.174 -14.387 -10.557 1.00 15.31 ? ? ? ? ? . 73 TYR A CE2 1787 ATOM 558 C CZ . TYR A 1787 73 . 23.865 -14.576 -10.925 1.00 16.08 ? ? ? ? ? . 73 TYR A CZ 1787 ATOM 559 O OH . TYR A 1787 73 . 23.009 -15.237 -10.041 1.00 25.43 ? ? ? ? ? . 73 TYR A OH 1787 ATOM 560 N N . GLN A 1787 74 . 28.271 -9.760 -13.469 1.00 9.38 ? ? ? ? ? . 74 GLN A N 1787 ATOM 561 C CA . GLN A 1787 74 . 29.372 -8.983 -14.040 1.00 8.78 ? ? ? ? ? . 74 GLN A CA 1787 ATOM 562 C C . GLN A 1787 74 . 30.622 -9.849 -14.088 1.00 8.16 ? ? ? ? ? . 74 GLN A C 1787 ATOM 563 O O . GLN A 1787 74 . 31.025 -10.439 -13.049 1.00 9.72 ? ? ? ? ? . 74 GLN A O 1787 ATOM 564 C CB . GLN A 1787 74 . 29.664 -7.690 -13.262 1.00 10.16 ? ? ? ? ? . 74 GLN A CB 1787 ATOM 565 C CG . GLN A 1787 74 . 30.731 -6.832 -13.837 1.00 10.41 ? ? ? ? ? . 74 GLN A CG 1787 ATOM 566 C CD . GLN A 1787 74 . 30.697 -5.404 -13.284 1.00 13.51 ? ? ? ? ? . 74 GLN A CD 1787 ATOM 567 N NE2 . GLN A 1787 74 . 31.862 -4.816 -13.091 1.00 15.20 ? ? ? ? ? . 74 GLN A NE2 1787 ATOM 568 O OE1 . GLN A 1787 74 . 29.625 -4.852 -13.041 1.00 15.33 ? ? ? ? ? . 74 GLN A OE1 1787 ATOM 569 N N . SER A 1787 75 . 31.234 -9.947 -15.258 1.00 8.83 ? ? ? ? ? . 75 SER A N 1787 ATOM 570 C CA . SER A 1787 75 . 32.428 -10.740 -15.431 1.00 7.79 ? ? ? ? ? . 75 SER A CA 1787 ATOM 571 C C . SER A 1787 75 . 33.545 -10.252 -14.541 1.00 8.49 ? ? ? ? ? . 75 SER A C 1787 ATOM 572 O O . SER A 1787 75 . 33.806 -9.044 -14.453 1.00 9.19 ? ? ? ? ? . 75 SER A O 1787 ATOM 573 C CB . SER A 1787 75 . 32.828 -10.791 -16.886 1.00 8.48 ? ? ? ? ? . 75 SER A CB 1787 ATOM 574 O OG . SER A 1787 75 . 33.253 -9.522 -17.405 1.00 9.10 ? ? ? ? ? . 75 SER A OG 1787 ATOM 575 N N . TYR A 1787 76 . 34.251 -11.171 -13.888 1.00 9.00 ? ? ? ? ? . 76 TYR A N 1787 ATOM 576 C CA . TYR A 1787 76 . 35.399 -10.784 -13.109 1.00 9.95 ? ? ? ? ? . 76 TYR A CA 1787 ATOM 577 C C . TYR A 1787 76 . 36.532 -10.142 -13.914 1.00 10.04 ? ? ? ? ? . 76 TYR A C 1787 ATOM 578 O O . TYR A 1787 76 . 37.253 -9.299 -13.448 1.00 11.26 ? ? ? ? ? . 76 TYR A O 1787 ATOM 579 C CB . TYR A 1787 76 . 35.963 -11.986 -12.358 1.00 9.26 ? ? ? ? ? . 76 TYR A CB 1787 ATOM 580 C CG . TYR A 1787 76 . 35.052 -12.656 -11.355 1.00 9.79 ? ? ? ? ? . 76 TYR A CG 1787 ATOM 581 C CD1 . TYR A 1787 76 . 34.223 -11.929 -10.516 1.00 9.00 ? ? ? ? ? . 76 TYR A CD1 1787 ATOM 582 C CD2 . TYR A 1787 76 . 35.156 -14.003 -11.117 1.00 8.55 ? ? ? ? ? . 76 TYR A CD2 1787 ATOM 583 C CE1 . TYR A 1787 76 . 33.471 -12.539 -9.525 1.00 9.96 ? ? ? ? ? . 76 TYR A CE1 1787 ATOM 584 C CE2 . TYR A 1787 76 . 34.434 -14.597 -10.114 1.00 9.41 ? ? ? ? ? . 76 TYR A CE2 1787 ATOM 585 C CZ . TYR A 1787 76 . 33.577 -13.875 -9.334 1.00 11.00 ? ? ? ? ? . 76 TYR A CZ 1787 ATOM 586 O OH . TYR A 1787 76 . 32.848 -14.450 -8.304 1.00 11.69 ? ? ? ? ? . 76 TYR A OH 1787 ATOM 587 N N . SER A 1787 77 . 36.717 -10.642 -15.121 1.00 9.85 ? ? ? ? ? . 77 SER A N 1787 ATOM 588 C CA . SER A 1787 77 . 37.757 -10.151 -16.021 1.00 10.61 ? ? ? ? ? . 77 SER A CA 1787 ATOM 589 C C . SER A 1787 77 . 37.128 -9.285 -17.100 1.00 10.37 ? ? ? ? ? . 77 SER A C 1787 ATOM 590 O O . SER A 1787 77 . 35.957 -9.408 -17.438 1.00 10.63 ? ? ? ? ? . 77 SER A O 1787 ATOM 591 C CB . SER A 1787 77 . 38.506 -11.335 -16.693 1.00 13.08 ? ? ? ? ? . 77 SER A CB 1787 ATOM 592 O OG . SER A 1787 77 . 37.732 -11.922 -17.705 0.50 13.00 ? ? ? ? ? . 77 SER A OG 1787 ATOM 593 N N . THR A 1787 78 . 37.946 -8.438 -17.703 1.00 10.38 ? ? ? ? ? . 78 THR A N 1787 ATOM 594 C CA . THR A 1787 78 . 37.574 -7.830 -18.988 1.00 9.75 ? ? ? ? ? . 78 THR A CA 1787 ATOM 595 C C . THR A 1787 78 . 37.592 -8.863 -20.117 1.00 9.32 ? ? ? ? ? . 78 THR A C 1787 ATOM 596 O O . THR A 1787 78 . 38.255 -9.873 -20.032 1.00 11.61 ? ? ? ? ? . 78 THR A O 1787 ATOM 597 C CB . THR A 1787 78 . 38.457 -6.645 -19.384 1.00 11.08 ? ? ? ? ? . 78 THR A CB 1787 ATOM 598 C CG2 . THR A 1787 78 . 38.397 -5.553 -18.285 1.00 13.80 ? ? ? ? ? . 78 THR A CG2 1787 ATOM 599 O OG1 . THR A 1787 78 . 39.791 -7.065 -19.611 1.00 13.35 ? ? ? ? ? . 78 THR A OG1 1787 ATOM 600 N N . MET A 1787 79 . 36.816 -8.581 -21.146 1.00 9.00 ? ? ? ? ? . 79 MET A N 1787 ATOM 601 C CA . MET A 1787 79 . 36.659 -9.393 -22.325 1.00 8.56 ? ? ? ? ? . 79 MET A CA 1787 ATOM 602 C C . MET A 1787 79 . 36.766 -8.495 -23.524 1.00 8.90 ? ? ? ? ? . 79 MET A C 1787 ATOM 603 O O . MET A 1787 79 . 36.393 -7.314 -23.448 1.00 9.41 ? ? ? ? ? . 79 MET A O 1787 ATOM 604 C CB . MET A 1787 79 . 35.296 -10.080 -22.257 1.00 9.83 ? ? ? ? ? . 79 MET A CB 1787 ATOM 605 C CG . MET A 1787 79 . 35.178 -11.102 -21.133 1.00 9.16 ? ? ? ? ? . 79 MET A CG 1787 ATOM 606 S SD . MET A 1787 79 . 33.638 -11.991 -21.291 1.00 10.76 ? ? ? ? ? . 79 MET A SD 1787 ATOM 607 C CE . MET A 1787 79 . 33.897 -13.240 -20.008 1.00 12.35 ? ? ? ? ? . 79 MET A CE 1787 ATOM 608 N N . SER A 1787 80 . 37.230 -9.032 -24.614 1.00 8.08 ? ? ? ? ? . 80 SER A N 1787 ATOM 609 C CA . SER A 1787 80 . 37.181 -8.309 -25.885 1.00 8.09 ? ? ? ? ? . 80 SER A CA 1787 ATOM 610 C C . SER A 1787 80 . 35.758 -8.260 -26.422 1.00 8.27 ? ? ? ? ? . 80 SER A C 1787 ATOM 611 O O . SER A 1787 80 . 35.076 -9.308 -26.538 1.00 8.43 ? ? ? ? ? . 80 SER A O 1787 ATOM 612 C CB . SER A 1787 80 . 38.066 -9.026 -26.854 1.00 9.57 ? ? ? ? ? . 80 SER A CB 1787 ATOM 613 O OG . SER A 1787 80 . 37.930 -8.443 -28.143 1.00 11.09 ? ? ? ? ? . 80 SER A OG 1787 ATOM 614 N N . ILE A 1787 81 . 35.290 -7.044 -26.699 1.00 8.18 ? ? ? ? ? . 81 ILE A N 1787 ATOM 615 C CA . ILE A 1787 81 . 33.951 -6.835 -27.214 1.00 8.43 ? ? ? ? ? . 81 ILE A CA 1787 ATOM 616 C C . ILE A 1787 81 . 33.976 -5.856 -28.379 1.00 8.64 ? ? ? ? ? . 81 ILE A C 1787 ATOM 617 O O . ILE A 1787 81 . 34.877 -5.053 -28.515 1.00 9.21 ? ? ? ? ? . 81 ILE A O 1787 ATOM 618 C CB . ILE A 1787 81 . 33.009 -6.345 -26.118 1.00 9.39 ? ? ? ? ? . 81 ILE A CB 1787 ATOM 619 C CG1 . ILE A 1787 81 . 33.352 -4.997 -25.625 1.00 11.98 ? ? ? ? ? . 81 ILE A CG1 1787 ATOM 620 C CG2 . ILE A 1787 81 . 32.974 -7.339 -24.924 1.00 11.49 ? ? ? ? ? . 81 ILE A CG2 1787 ATOM 621 C CD1 . ILE A 1787 81 . 32.309 -4.396 -24.765 1.00 20.31 ? ? ? ? ? . 81 ILE A CD1 1787 ATOM 622 N N . THR A 1787 82 . 32.930 -5.913 -29.177 1.00 8.49 ? ? ? ? ? . 82 THR A N 1787 ATOM 623 C CA . THR A 1787 82 . 32.685 -4.886 -30.180 1.00 8.06 ? ? ? ? ? . 82 THR A CA 1787 ATOM 624 C C . THR A 1787 82 . 31.285 -4.374 -30.014 1.00 7.66 ? ? ? ? ? . 82 THR A C 1787 ATOM 625 O O . THR A 1787 82 . 30.313 -5.154 -30.071 1.00 8.89 ? ? ? ? ? . 82 THR A O 1787 ATOM 626 C CB . THR A 1787 82 . 32.860 -5.398 -31.587 1.00 8.95 ? ? ? ? ? . 82 THR A CB 1787 ATOM 627 C CG2 . THR A 1787 82 . 32.747 -4.280 -32.614 1.00 11.81 ? ? ? ? ? . 82 THR A CG2 1787 ATOM 628 O OG1 . THR A 1787 82 . 34.169 -5.959 -31.713 1.00 11.02 ? ? ? ? ? . 82 THR A OG1 1787 ATOM 629 N N . ASP A 1787 83 . 31.122 -3.065 -29.821 1.00 8.40 ? ? ? ? ? . 83 ASP A N 1787 ATOM 630 C CA . ASP A 1787 83 . 29.808 -2.426 -29.846 1.00 9.62 ? ? ? ? ? . 83 ASP A CA 1787 ATOM 631 C C . ASP A 1787 83 . 29.483 -1.972 -31.255 1.00 9.50 ? ? ? ? ? . 83 ASP A C 1787 ATOM 632 O O . ASP A 1787 83 . 30.338 -1.360 -31.945 1.00 9.70 ? ? ? ? ? . 83 ASP A O 1787 ATOM 633 C CB . ASP A 1787 83 . 29.739 -1.231 -28.897 1.00 12.08 ? ? ? ? ? . 83 ASP A CB 1787 ATOM 634 C CG . ASP A 1787 83 . 28.211 -0.816 -28.533 1.00 16.38 ? ? ? ? ? . 83 ASP A CG 1787 ATOM 635 O OD1 . ASP A 1787 83 . 27.315 -1.708 -28.498 1.00 24.30 ? ? ? ? ? . 83 ASP A OD1 1787 ATOM 636 O OD2 . ASP A 1787 83 . 27.872 0.324 -28.266 1.00 23.55 ? ? ? ? ? 1- 83 ASP A OD2 1787 ATOM 637 N N . CYS A 1787 84 . 28.282 -2.264 -31.702 1.00 9.08 ? ? ? ? ? . 84 CYS A N 1787 ATOM 638 C CA . CYS A 1787 84 . 27.773 -1.871 -33.025 1.00 9.70 ? ? ? ? ? . 84 CYS A CA 1787 ATOM 639 C C . CYS A 1787 84 . 26.585 -0.958 -32.825 1.00 10.81 ? ? ? ? ? . 84 CYS A C 1787 ATOM 640 O O . CYS A 1787 84 . 25.625 -1.330 -32.146 1.00 12.00 ? ? ? ? ? . 84 CYS A O 1787 ATOM 641 C CB . CYS A 1787 84 . 27.314 -3.103 -33.800 1.00 10.30 ? ? ? ? ? . 84 CYS A CB 1787 ATOM 642 S SG . CYS A 1787 84 . 28.613 -4.309 -34.114 1.00 11.11 ? ? ? ? ? . 84 CYS A SG 1787 ATOM 643 N N . ARG A 1787 85 . 26.642 0.228 -33.386 1.00 10.31 ? ? ? ? ? . 85 ARG A N 1787 ATOM 644 C CA . ARG A 1787 85 . 25.566 1.197 -33.250 1.00 12.20 ? ? ? ? ? . 85 ARG A CA 1787 ATOM 645 C C . ARG A 1787 85 . 25.304 1.846 -34.573 1.00 12.19 ? ? ? ? ? . 85 ARG A C 1787 ATOM 646 O O . ARG A 1787 85 . 26.243 2.203 -35.304 1.00 11.35 ? ? ? ? ? . 85 ARG A O 1787 ATOM 647 C CB . ARG A 1787 85 . 25.876 2.251 -32.198 1.00 13.68 ? ? ? ? ? . 85 ARG A CB 1787 ATOM 648 C CG . ARG A 1787 85 . 25.757 1.702 -30.836 1.00 17.10 ? ? ? ? ? . 85 ARG A CG 1787 ATOM 649 C CD . ARG A 1787 85 . 25.873 2.834 -29.837 1.00 19.00 ? ? ? ? ? . 85 ARG A CD 1787 ATOM 650 N NE . ARG A 1787 85 . 25.714 2.304 -28.514 1.00 17.90 ? ? ? ? ? . 85 ARG A NE 1787 ATOM 651 C CZ . ARG A 1787 85 . 24.834 2.702 -27.598 1.00 19.74 ? ? ? ? ? . 85 ARG A CZ 1787 ATOM 652 N NH1 . ARG A 1787 85 . 24.023 3.658 -27.841 1.00 17.55 ? ? ? ? ? 1+ 85 ARG A NH1 1787 ATOM 653 N NH2 . ARG A 1787 85 . 24.857 2.109 -26.390 1.00 22.22 ? ? ? ? ? . 85 ARG A NH2 1787 ATOM 654 N N . GLU A 1787 86 . 24.023 2.024 -34.909 1.00 14.62 ? ? ? ? ? . 86 GLU A N 1787 ATOM 655 C CA . GLU A 1787 86 . 23.687 2.662 -36.148 1.00 15.87 ? ? ? ? ? . 86 GLU A CA 1787 ATOM 656 C C . GLU A 1787 86 . 24.214 4.097 -36.209 1.00 16.43 ? ? ? ? ? . 86 GLU A C 1787 ATOM 657 O O . GLU A 1787 86 . 24.164 4.815 -35.211 1.00 17.22 ? ? ? ? ? . 86 GLU A O 1787 ATOM 658 C CB . GLU A 1787 86 . 22.183 2.775 -36.290 1.00 18.22 ? ? ? ? ? . 86 GLU A CB 1787 ATOM 659 C CG . GLU A 1787 86 . 21.489 1.621 -36.824 1.00 20.33 ? ? ? ? ? . 86 GLU A CG 1787 ATOM 660 C CD . GLU A 1787 86 . 20.032 1.979 -37.132 1.00 22.15 ? ? ? ? ? . 86 GLU A CD 1787 ATOM 661 O OE1 . GLU A 1787 86 . 19.250 2.051 -36.172 1.00 22.34 ? ? ? ? ? . 86 GLU A OE1 1787 ATOM 662 O OE2 . GLU A 1787 86 . 19.716 2.235 -38.303 1.00 22.33 ? ? ? ? ? 1- 86 GLU A OE2 1787 ATOM 663 N N . THR A 1787 87 . 24.677 4.485 -37.395 1.00 18.73 ? ? ? ? ? . 87 THR A N 1787 ATOM 664 C CA . THR A 1787 87 . 25.154 5.842 -37.660 1.00 20.75 ? ? ? ? ? . 87 THR A CA 1787 ATOM 665 C C . THR A 1787 87 . 24.013 6.655 -38.232 1.00 23.73 ? ? ? ? ? . 87 THR A C 1787 ATOM 666 O O . THR A 1787 87 . 22.986 6.097 -38.611 1.00 23.95 ? ? ? ? ? . 87 THR A O 1787 ATOM 667 C CB . THR A 1787 87 . 26.283 5.865 -38.729 1.00 21.30 ? ? ? ? ? . 87 THR A CB 1787 ATOM 668 C CG2 . THR A 1787 87 . 27.449 4.995 -38.345 1.00 22.98 ? ? ? ? ? . 87 THR A CG2 1787 ATOM 669 O OG1 . THR A 1787 87 . 25.776 5.429 -39.990 1.00 25.52 ? ? ? ? ? . 87 THR A OG1 1787 ATOM 670 N N . GLY A 1787 88 . 24.212 7.966 -38.337 1.00 25.34 ? ? ? ? ? . 88 GLY A N 1787 ATOM 671 C CA . GLY A 1787 88 . 23.202 8.864 -38.932 1.00 27.50 ? ? ? ? ? . 88 GLY A CA 1787 ATOM 672 C C . GLY A 1787 88 . 22.880 8.567 -40.385 1.00 29.14 ? ? ? ? ? . 88 GLY A C 1787 ATOM 673 O O . GLY A 1787 88 . 21.753 8.791 -40.816 1.00 30.82 ? ? ? ? ? . 88 GLY A O 1787 ATOM 674 N N . SER A 1787 89 . 23.846 8.031 -41.138 1.00 30.55 ? ? ? ? ? . 89 SER A N 1787 ATOM 675 C CA . SER A 1787 89 . 23.631 7.641 -42.553 1.00 31.96 ? ? ? ? ? . 89 SER A CA 1787 ATOM 676 C C . SER A 1787 89 . 22.850 6.328 -42.711 1.00 31.32 ? ? ? ? ? . 89 SER A C 1787 ATOM 677 O O . SER A 1787 89 . 22.526 5.920 -43.848 1.00 33.05 ? ? ? ? ? . 89 SER A O 1787 ATOM 678 C CB . SER A 1787 89 . 24.963 7.503 -43.306 1.00 32.39 ? ? ? ? ? . 89 SER A CB 1787 ATOM 679 O OG . SER A 1787 89 . 25.723 8.695 -43.265 1.00 35.99 ? ? ? ? ? . 89 SER A OG 1787 ATOM 680 N N . SER A 1787 90 . 22.540 5.674 -41.583 1.00 29.03 ? ? ? ? ? . 90 SER A N 1787 ATOM 681 C CA . SER A 1787 90 . 21.756 4.439 -41.590 1.00 27.63 ? ? ? ? ? . 90 SER A CA 1787 ATOM 682 C C . SER A 1787 90 . 20.268 4.652 -41.792 1.00 29.22 ? ? ? ? ? . 90 SER A C 1787 ATOM 683 O O . SER A 1787 90 . 19.626 5.342 -41.029 1.00 29.67 ? ? ? ? ? . 90 SER A O 1787 ATOM 684 C CB . SER A 1787 90 . 21.906 3.713 -40.253 1.00 26.31 ? ? ? ? ? . 90 SER A CB 1787 ATOM 685 O OG . SER A 1787 90 . 21.474 2.391 -40.358 1.00 22.70 ? ? ? ? ? . 90 SER A OG 1787 ATOM 686 N N . LYS A 1787 91 . 19.720 3.934 -42.757 1.00 30.74 ? ? ? ? ? . 91 LYS A N 1787 ATOM 687 C CA . LYS A 1787 91 . 18.277 3.934 -42.999 1.00 32.40 ? ? ? ? ? . 91 LYS A CA 1787 ATOM 688 C C . LYS A 1787 91 . 17.910 2.633 -43.683 1.00 32.76 ? ? ? ? ? . 91 LYS A C 1787 ATOM 689 O O . LYS A 1787 91 . 18.411 2.358 -44.779 1.00 32.83 ? ? ? ? ? . 91 LYS A O 1787 ATOM 690 C CB . LYS A 1787 91 . 17.898 5.138 -43.869 1.00 33.55 ? ? ? ? ? . 91 LYS A CB 1787 ATOM 691 C CG . LYS A 1787 91 . 16.437 5.158 -44.273 1.00 36.44 ? ? ? ? ? . 91 LYS A CG 1787 ATOM 692 C CD . LYS A 1787 91 . 16.075 6.452 -44.973 1.00 39.53 ? ? ? ? ? . 91 LYS A CD 1787 ATOM 693 C CE . LYS A 1787 91 . 14.588 6.514 -45.286 1.00 41.08 ? ? ? ? ? . 91 LYS A CE 1787 ATOM 694 N NZ . LYS A 1787 91 . 14.198 7.796 -45.980 1.00 42.85 ? ? ? ? ? 1+ 91 LYS A NZ 1787 ATOM 695 N N . TYR A 1787 92 . 17.057 1.833 -43.042 1.00 33.07 ? ? ? ? ? . 92 TYR A N 1787 ATOM 696 C CA . TYR A 1787 92 . 16.631 0.539 -43.590 1.00 33.62 ? ? ? ? ? . 92 TYR A CA 1787 ATOM 697 C C . TYR A 1787 92 . 16.040 0.695 -45.003 1.00 35.03 ? ? ? ? ? . 92 TYR A C 1787 ATOM 698 O O . TYR A 1787 92 . 15.275 1.637 -45.229 1.00 35.69 ? ? ? ? ? . 92 TYR A O 1787 ATOM 699 C CB . TYR A 1787 92 . 15.578 -0.090 -42.689 1.00 33.60 ? ? ? ? ? . 92 TYR A CB 1787 ATOM 700 C CG . TYR A 1787 92 . 15.076 -1.432 -43.192 1.00 34.71 ? ? ? ? ? . 92 TYR A CG 1787 ATOM 701 C CD1 . TYR A 1787 92 . 15.758 -2.598 -42.894 1.00 34.49 ? ? ? ? ? . 92 TYR A CD1 1787 ATOM 702 C CD2 . TYR A 1787 92 . 13.921 -1.528 -43.974 1.00 36.28 ? ? ? ? ? . 92 TYR A CD2 1787 ATOM 703 C CE1 . TYR A 1787 92 . 15.315 -3.829 -43.343 1.00 35.66 ? ? ? ? ? . 92 TYR A CE1 1787 ATOM 704 C CE2 . TYR A 1787 92 . 13.473 -2.768 -44.441 1.00 36.94 ? ? ? ? ? . 92 TYR A CE2 1787 ATOM 705 C CZ . TYR A 1787 92 . 14.179 -3.912 -44.118 1.00 37.03 ? ? ? ? ? . 92 TYR A CZ 1787 ATOM 706 O OH . TYR A 1787 92 . 13.760 -5.150 -44.553 1.00 38.49 ? ? ? ? ? . 92 TYR A OH 1787 ATOM 707 N N . PRO A 1787 93 . 16.430 -0.190 -45.955 1.00 35.68 ? ? ? ? ? . 93 PRO A N 1787 ATOM 708 C CA . PRO A 1787 93 . 17.489 -1.210 -45.875 1.00 35.84 ? ? ? ? ? . 93 PRO A CA 1787 ATOM 709 C C . PRO A 1787 93 . 18.797 -0.419 -45.881 1.00 35.61 ? ? ? ? ? . 93 PRO A C 1787 ATOM 710 O O . PRO A 1787 93 . 18.770 0.754 -45.565 1.00 36.94 ? ? ? ? ? . 93 PRO A O 1787 ATOM 711 C CB . PRO A 1787 93 . 17.271 -2.046 -47.147 1.00 36.83 ? ? ? ? ? . 93 PRO A CB 1787 ATOM 712 C CG . PRO A 1787 93 . 16.705 -1.070 -48.120 1.00 37.28 ? ? ? ? ? . 93 PRO A CG 1787 ATOM 713 C CD . PRO A 1787 93 . 15.805 -0.168 -47.295 1.00 36.66 ? ? ? ? ? . 93 PRO A CD 1787 ATOM 714 N N . ASN A 1787 94 . 19.941 -0.980 -46.218 1.00 34.93 ? ? ? ? ? . 94 ASN A N 1787 ATOM 715 C CA . ASN A 1787 94 . 21.152 -0.154 -46.140 1.00 32.85 ? ? ? ? ? . 94 ASN A CA 1787 ATOM 716 C C . ASN A 1787 94 . 21.372 0.380 -44.699 1.00 29.74 ? ? ? ? ? . 94 ASN A C 1787 ATOM 717 O O . ASN A 1787 94 . 21.574 1.586 -44.457 1.00 29.80 ? ? ? ? ? . 94 ASN A O 1787 ATOM 718 C CB . ASN A 1787 94 . 21.100 1.027 -47.124 1.00 34.14 ? ? ? ? ? . 94 ASN A CB 1787 ATOM 719 C CG . ASN A 1787 94 . 20.530 0.634 -48.476 1.00 36.91 ? ? ? ? ? . 94 ASN A CG 1787 ATOM 720 N ND2 . ASN A 1787 94 . 21.083 -0.424 -49.052 1.00 39.44 ? ? ? ? ? . 94 ASN A ND2 1787 ATOM 721 O OD1 . ASN A 1787 94 . 19.591 1.261 -48.982 1.00 41.85 ? ? ? ? ? . 94 ASN A OD1 1787 ATOM 722 N N . CYS A 1787 95 . 21.272 -0.530 -43.750 1.00 26.38 ? ? ? ? ? . 95 CYS A N 1787 ATOM 723 C CA . CYS A 1787 95 . 21.683 -0.218 -42.386 1.00 24.33 ? ? ? ? ? . 95 CYS A CA 1787 ATOM 724 C C . CYS A 1787 95 . 23.163 0.128 -42.455 1.00 23.16 ? ? ? ? ? . 95 CYS A C 1787 ATOM 725 O O . CYS A 1787 95 . 23.876 -0.301 -43.365 1.00 25.40 ? ? ? ? ? . 95 CYS A O 1787 ATOM 726 C CB . CYS A 1787 95 . 21.413 -1.422 -41.490 1.00 23.06 ? ? ? ? ? . 95 CYS A CB 1787 ATOM 727 S SG . CYS A 1787 95 . 19.637 -1.966 -41.479 1.00 23.02 ? ? ? ? ? . 95 CYS A SG 1787 ATOM 728 N N . ALA A 1787 96 . 23.632 0.936 -41.507 1.00 19.83 ? ? ? ? ? . 96 ALA A N 1787 ATOM 729 C CA . ALA A 1787 96 . 25.028 1.339 -41.451 1.00 18.99 ? ? ? ? ? . 96 ALA A CA 1787 ATOM 730 C C . ALA A 1787 96 . 25.395 1.453 -39.989 1.00 16.27 ? ? ? ? ? . 96 ALA A C 1787 ATOM 731 O O . ALA A 1787 96 . 24.682 2.094 -39.220 1.00 16.51 ? ? ? ? ? . 96 ALA A O 1787 ATOM 732 C CB . ALA A 1787 96 . 25.226 2.699 -42.150 1.00 19.61 ? ? ? ? ? . 96 ALA A CB 1787 ATOM 733 N N . TYR A 1787 97 . 26.541 0.870 -39.623 1.00 13.24 ? ? ? ? ? . 97 TYR A N 1787 ATOM 734 C CA . TYR A 1787 97 . 26.943 0.806 -38.228 1.00 11.60 ? ? ? ? ? . 97 TYR A CA 1787 ATOM 735 C C . TYR A 1787 97 . 28.356 1.298 -38.016 1.00 11.95 ? ? ? ? ? . 97 TYR A C 1787 ATOM 736 O O . TYR A 1787 97 . 29.250 1.051 -38.823 1.00 13.37 ? ? ? ? ? . 97 TYR A O 1787 ATOM 737 C CB . TYR A 1787 97 . 26.896 -0.629 -37.741 1.00 11.18 ? ? ? ? ? . 97 TYR A CB 1787 ATOM 738 C CG . TYR A 1787 97 . 25.479 -1.170 -37.623 1.00 10.16 ? ? ? ? ? . 97 TYR A CG 1787 ATOM 739 C CD1 . TYR A 1787 97 . 24.759 -1.043 -36.447 1.00 11.33 ? ? ? ? ? . 97 TYR A CD1 1787 ATOM 740 C CD2 . TYR A 1787 97 . 24.869 -1.809 -38.697 1.00 11.83 ? ? ? ? ? . 97 TYR A CD2 1787 ATOM 741 C CE1 . TYR A 1787 97 . 23.460 -1.502 -36.344 1.00 13.12 ? ? ? ? ? . 97 TYR A CE1 1787 ATOM 742 C CE2 . TYR A 1787 97 . 23.578 -2.278 -38.610 1.00 12.16 ? ? ? ? ? . 97 TYR A CE2 1787 ATOM 743 C CZ . TYR A 1787 97 . 22.885 -2.134 -37.417 1.00 12.76 ? ? ? ? ? . 97 TYR A CZ 1787 ATOM 744 O OH . TYR A 1787 97 . 21.580 -2.570 -37.330 1.00 14.06 ? ? ? ? ? . 97 TYR A OH 1787 ATOM 745 N N . LYS A 1787 98 . 28.563 1.932 -36.884 1.00 10.87 ? ? ? ? ? . 98 LYS A N 1787 ATOM 746 C CA . LYS A 1787 98 . 29.871 2.226 -36.334 1.00 10.58 ? ? ? ? ? . 98 LYS A CA 1787 ATOM 747 C C . LYS A 1787 98 . 30.329 1.069 -35.494 1.00 10.67 ? ? ? ? ? . 98 LYS A C 1787 ATOM 748 O O . LYS A 1787 98 . 29.564 0.543 -34.682 1.00 10.89 ? ? ? ? ? . 98 LYS A O 1787 ATOM 749 C CB . LYS A 1787 98 . 29.778 3.492 -35.486 1.00 10.21 ? ? ? ? ? . 98 LYS A CB 1787 ATOM 750 C CG . LYS A 1787 98 . 31.081 3.861 -34.738 1.00 11.32 ? ? ? ? ? . 98 LYS A CG 1787 ATOM 751 C CD . LYS A 1787 98 . 30.835 5.121 -33.863 1.00 13.29 ? ? ? ? ? . 98 LYS A CD 1787 ATOM 752 C CE . LYS A 1787 98 . 31.781 5.453 -32.787 1.00 15.54 ? ? ? ? ? . 98 LYS A CE 1787 ATOM 753 N NZ . LYS A 1787 98 . 33.165 5.505 -33.167 1.00 15.79 ? ? ? ? ? 1+ 98 LYS A NZ 1787 ATOM 754 N N . THR A 1787 99 . 31.585 0.693 -35.655 1.00 9.61 ? ? ? ? ? . 99 THR A N 1787 ATOM 755 C CA . THR A 1787 99 . 32.211 -0.406 -34.951 1.00 9.66 ? ? ? ? ? . 99 THR A CA 1787 ATOM 756 C C . THR A 1787 99 . 33.151 0.148 -33.891 1.00 9.58 ? ? ? ? ? . 99 THR A C 1787 ATOM 757 O O . THR A 1787 99 . 34.097 0.853 -34.209 1.00 11.20 ? ? ? ? ? . 99 THR A O 1787 ATOM 758 C CB . THR A 1787 99 . 33.067 -1.211 -35.979 1.00 10.37 ? ? ? ? ? . 99 THR A CB 1787 ATOM 759 C CG2 . THR A 1787 99 . 33.882 -2.308 -35.304 1.00 11.08 ? ? ? ? ? . 99 THR A CG2 1787 ATOM 760 O OG1 . THR A 1787 99 . 32.185 -1.746 -36.973 1.00 10.49 ? ? ? ? ? . 99 THR A OG1 1787 ATOM 761 N N . THR A 1787 100 . 32.959 -0.154 -32.614 1.00 10.03 ? ? ? ? ? . 100 THR A N 1787 ATOM 762 C CA . THR A 1787 100 . 33.858 0.284 -31.563 1.00 9.82 ? ? ? ? ? . 100 THR A CA 1787 ATOM 763 C C . THR A 1787 100 . 34.320 -0.942 -30.775 1.00 10.32 ? ? ? ? ? . 100 THR A C 1787 ATOM 764 O O . THR A 1787 100 . 33.511 -1.539 -30.065 1.00 10.46 ? ? ? ? ? . 100 THR A O 1787 ATOM 765 C CB . THR A 1787 100 . 33.186 1.280 -30.595 1.00 11.11 ? ? ? ? ? . 100 THR A CB 1787 ATOM 766 C CG2 . THR A 1787 100 . 34.235 1.790 -29.566 1.00 11.60 ? ? ? ? ? . 100 THR A CG2 1787 ATOM 767 O OG1 . THR A 1787 100 . 32.627 2.377 -31.324 1.00 11.78 ? ? ? ? ? . 100 THR A OG1 1787 ATOM 768 N N . GLN A 1787 101 . 35.590 -1.279 -30.890 1.00 9.94 ? ? ? ? ? . 101 GLN A N 1787 ATOM 769 C CA . GLN A 1787 101 . 36.210 -2.396 -30.158 1.00 10.63 ? ? ? ? ? . 101 GLN A CA 1787 ATOM 770 C C . GLN A 1787 101 . 36.690 -1.905 -28.810 1.00 11.41 ? ? ? ? ? . 101 GLN A C 1787 ATOM 771 O O . GLN A 1787 101 . 37.199 -0.772 -28.672 1.00 12.72 ? ? ? ? ? . 101 GLN A O 1787 ATOM 772 C CB . GLN A 1787 101 . 37.366 -2.908 -31.011 1.00 12.02 ? ? ? ? ? . 101 GLN A CB 1787 ATOM 773 C CG . GLN A 1787 101 . 38.303 -3.963 -30.404 1.00 17.10 ? ? ? ? ? . 101 GLN A CG 1787 ATOM 774 C CD . GLN A 1787 101 . 37.677 -5.214 -30.156 1.00 18.14 ? ? ? ? ? . 101 GLN A CD 1787 ATOM 775 N NE2 . GLN A 1787 101 . 38.074 -5.859 -29.018 1.00 18.16 ? ? ? ? ? . 101 GLN A NE2 1787 ATOM 776 O OE1 . GLN A 1787 101 . 36.863 -5.684 -30.941 1.00 18.84 ? ? ? ? ? . 101 GLN A OE1 1787 ATOM 777 N N . ALA A 1787 102 . 36.582 -2.764 -27.794 1.00 10.87 ? ? ? ? ? . 102 ALA A N 1787 ATOM 778 C CA . ALA A 1787 102 . 37.000 -2.401 -26.461 1.00 10.46 ? ? ? ? ? . 102 ALA A CA 1787 ATOM 779 C C . ALA A 1787 102 . 37.229 -3.645 -25.652 1.00 11.14 ? ? ? ? ? . 102 ALA A C 1787 ATOM 780 O O . ALA A 1787 102 . 36.845 -4.763 -26.054 1.00 10.95 ? ? ? ? ? . 102 ALA A O 1787 ATOM 781 C CB . ALA A 1787 102 . 35.935 -1.541 -25.768 1.00 11.95 ? ? ? ? ? . 102 ALA A CB 1787 ATOM 782 N N . ASN A 1787 103 . 37.876 -3.486 -24.499 1.00 11.67 ? ? ? ? ? . 103 ASN A N 1787 ATOM 783 C CA . ASN A 1787 103 . 38.120 -4.584 -23.555 1.00 13.13 ? ? ? ? ? . 103 ASN A CA 1787 ATOM 784 C C . ASN A 1787 103 . 37.479 -4.161 -22.253 1.00 13.00 ? ? ? ? ? . 103 ASN A C 1787 ATOM 785 O O . ASN A 1787 103 . 37.873 -3.152 -21.617 1.00 17.89 ? ? ? ? ? . 103 ASN A O 1787 ATOM 786 C CB . ASN A 1787 103 . 39.603 -4.825 -23.447 1.00 14.37 ? ? ? ? ? . 103 ASN A CB 1787 ATOM 787 C CG . ASN A 1787 103 . 40.152 -5.345 -24.709 1.00 18.03 ? ? ? ? ? . 103 ASN A CG 1787 ATOM 788 N ND2 . ASN A 1787 103 . 40.186 -6.638 -24.843 1.00 19.99 ? ? ? ? ? . 103 ASN A ND2 1787 ATOM 789 O OD1 . ASN A 1787 103 . 40.515 -4.575 -25.615 1.00 23.36 ? ? ? ? ? . 103 ASN A OD1 1787 ATOM 790 N N . LYS A 1787 104 . 36.396 -4.802 -21.895 1.00 11.40 ? ? ? ? ? . 104 LYS A N 1787 ATOM 791 C CA . LYS A 1787 104 . 35.553 -4.330 -20.826 1.00 13.38 ? ? ? ? ? . 104 LYS A CA 1787 ATOM 792 C C . LYS A 1787 104 . 34.958 -5.513 -20.108 1.00 12.79 ? ? ? ? ? . 104 LYS A C 1787 ATOM 793 O O . LYS A 1787 104 . 34.813 -6.582 -20.684 1.00 10.84 ? ? ? ? ? . 104 LYS A O 1787 ATOM 794 C CB . LYS A 1787 104 . 34.418 -3.442 -21.335 1.00 16.33 ? ? ? ? ? . 104 LYS A CB 1787 ATOM 795 C CG . LYS A 1787 104 . 34.851 -2.394 -22.296 1.00 22.02 ? ? ? ? ? . 104 LYS A CG 1787 ATOM 796 C CD . LYS A 1787 104 . 35.901 -1.503 -21.740 1.00 27.41 ? ? ? ? ? . 104 LYS A CD 1787 ATOM 797 C CE . LYS A 1787 104 . 36.592 -0.640 -22.830 1.00 33.20 ? ? ? ? ? . 104 LYS A CE 1787 ATOM 798 N NZ . LYS A 1787 104 . 37.810 0.072 -22.406 1.00 34.76 ? ? ? ? ? 1+ 104 LYS A NZ 1787 ATOM 799 N N . HIS A 1787 105 . 34.526 -5.316 -18.874 1.00 10.98 ? ? ? ? ? . 105 HIS A N 1787 ATOM 800 C CA . HIS A 1787 105 . 33.720 -6.310 -18.199 1.00 10.86 ? ? ? ? ? . 105 HIS A CA 1787 ATOM 801 C C . HIS A 1787 105 . 32.370 -6.338 -18.853 1.00 12.37 ? ? ? ? ? . 105 HIS A C 1787 ATOM 802 O O . HIS A 1787 105 . 31.895 -5.274 -19.339 1.00 13.80 ? ? ? ? ? . 105 HIS A O 1787 ATOM 803 C CB . HIS A 1787 105 . 33.559 -5.930 -16.721 1.00 10.39 ? ? ? ? ? . 105 HIS A CB 1787 ATOM 804 C CG . HIS A 1787 105 . 34.831 -5.865 -15.977 1.00 9.59 ? ? ? ? ? . 105 HIS A CG 1787 ATOM 805 C CD2 . HIS A 1787 105 . 35.498 -6.844 -15.329 1.00 8.47 ? ? ? ? ? . 105 HIS A CD2 1787 ATOM 806 N ND1 . HIS A 1787 105 . 35.587 -4.723 -15.828 1.00 13.02 ? ? ? ? ? . 105 HIS A ND1 1787 ATOM 807 C CE1 . HIS A 1787 105 . 36.666 -5.025 -15.117 1.00 10.23 ? ? ? ? ? . 105 HIS A CE1 1787 ATOM 808 N NE2 . HIS A 1787 105 . 36.628 -6.294 -14.794 1.00 15.19 ? ? ? ? ? . 105 HIS A NE2 1787 ATOM 809 N N . ILE A 1787 106 . 31.746 -7.497 -18.946 1.00 10.32 ? ? ? ? ? . 106 ILE A N 1787 ATOM 810 C CA . ILE A 1787 106 . 30.397 -7.608 -19.418 1.00 10.74 ? ? ? ? ? . 106 ILE A CA 1787 ATOM 811 C C . ILE A 1787 106 . 29.418 -7.872 -18.280 1.00 9.90 ? ? ? ? ? . 106 ILE A C 1787 ATOM 812 O O . ILE A 1787 106 . 29.802 -8.489 -17.238 1.00 9.90 ? ? ? ? ? . 106 ILE A O 1787 ATOM 813 C CB . ILE A 1787 106 . 30.238 -8.699 -20.512 1.00 11.00 ? ? ? ? ? . 106 ILE A CB 1787 ATOM 814 C CG1 . ILE A 1787 106 . 30.435 -10.134 -19.993 1.00 10.69 ? ? ? ? ? . 106 ILE A CG1 1787 ATOM 815 C CG2 . ILE A 1787 106 . 31.134 -8.345 -21.729 1.00 11.82 ? ? ? ? ? . 106 ILE A CG2 1787 ATOM 816 C CD1 . ILE A 1787 106 . 30.094 -11.219 -21.058 1.00 11.15 ? ? ? ? ? . 106 ILE A CD1 1787 ATOM 817 N N . ILE A 1787 107 . 28.170 -7.458 -18.461 1.00 9.30 ? ? ? ? ? . 107 ILE A N 1787 ATOM 818 C CA . ILE A 1787 107 . 27.087 -7.727 -17.539 1.00 9.54 ? ? ? ? ? . 107 ILE A CA 1787 ATOM 819 C C . ILE A 1787 107 . 25.973 -8.406 -18.324 1.00 10.79 ? ? ? ? ? . 107 ILE A C 1787 ATOM 820 O O . ILE A 1787 107 . 25.483 -7.828 -19.304 1.00 11.70 ? ? ? ? ? . 107 ILE A O 1787 ATOM 821 C CB . ILE A 1787 107 . 26.575 -6.449 -16.818 1.00 10.71 ? ? ? ? ? . 107 ILE A CB 1787 ATOM 822 C CG1 . ILE A 1787 107 . 27.739 -5.808 -16.042 1.00 13.30 ? ? ? ? ? . 107 ILE A CG1 1787 ATOM 823 C CG2 . ILE A 1787 107 . 25.420 -6.816 -15.913 1.00 11.78 ? ? ? ? ? . 107 ILE A CG2 1787 ATOM 824 C CD1 . ILE A 1787 107 . 27.556 -4.404 -15.535 1.00 17.29 ? ? ? ? ? . 107 ILE A CD1 1787 ATOM 825 N N . VAL A 1787 108 . 25.591 -9.613 -17.885 1.00 9.77 ? ? ? ? ? . 108 VAL A N 1787 ATOM 826 C CA . VAL A 1787 108 . 24.543 -10.382 -18.544 1.00 10.28 ? ? ? ? ? . 108 VAL A CA 1787 ATOM 827 C C . VAL A 1787 108 . 23.509 -10.800 -17.545 1.00 10.35 ? ? ? ? ? . 108 VAL A C 1787 ATOM 828 O O . VAL A 1787 108 . 23.807 -10.976 -16.338 1.00 11.01 ? ? ? ? ? . 108 VAL A O 1787 ATOM 829 C CB . VAL A 1787 108 . 25.139 -11.643 -19.210 1.00 10.01 ? ? ? ? ? . 108 VAL A CB 1787 ATOM 830 C CG1 . VAL A 1787 108 . 26.035 -11.231 -20.330 1.00 11.82 ? ? ? ? ? . 108 VAL A CG1 1787 ATOM 831 C CG2 . VAL A 1787 108 . 25.880 -12.561 -18.173 1.00 11.63 ? ? ? ? ? . 108 VAL A CG2 1787 ATOM 832 N N . ALA A 1787 109 . 22.265 -10.946 -18.005 1.00 10.64 ? ? ? ? ? . 109 ALA A N 1787 ATOM 833 C CA . ALA A 1787 109 . 21.181 -11.485 -17.226 1.00 11.78 ? ? ? ? ? . 109 ALA A CA 1787 ATOM 834 C C . ALA A 1787 109 . 21.106 -12.966 -17.534 1.00 11.46 ? ? ? ? ? . 109 ALA A C 1787 ATOM 835 O O . ALA A 1787 109 . 21.294 -13.359 -18.714 1.00 11.60 ? ? ? ? ? . 109 ALA A O 1787 ATOM 836 C CB . ALA A 1787 109 . 19.886 -10.830 -17.553 1.00 12.46 ? ? ? ? ? . 109 ALA A CB 1787 ATOM 837 N N . CYS A 1787 110 . 20.928 -13.776 -16.504 1.00 11.06 ? ? ? ? ? . 110 CYS A N 1787 ATOM 838 C CA . CYS A 1787 110 . 20.979 -15.236 -16.635 1.00 11.77 ? ? ? ? ? . 110 CYS A CA 1787 ATOM 839 C C . CYS A 1787 110 . 19.678 -15.849 -16.191 1.00 13.00 ? ? ? ? ? . 110 CYS A C 1787 ATOM 840 O O . CYS A 1787 110 . 19.035 -15.342 -15.263 1.00 15.10 ? ? ? ? ? . 110 CYS A O 1787 ATOM 841 C CB . CYS A 1787 110 . 22.119 -15.805 -15.792 1.00 12.46 ? ? ? ? ? . 110 CYS A CB 1787 ATOM 842 S SG . CYS A 1787 110 . 23.765 -15.147 -16.331 1.00 14.93 ? ? ? ? ? . 110 CYS A SG 1787 ATOM 843 N N . GLU A 1787 111 . 19.317 -16.995 -16.785 1.00 12.36 ? ? ? ? ? . 111 GLU A N 1787 ATOM 844 C CA . GLU A 1787 111 . 18.046 -17.677 -16.521 1.00 13.98 ? ? ? ? ? . 111 GLU A CA 1787 ATOM 845 C C . GLU A 1787 111 . 18.169 -19.118 -16.941 1.00 14.39 ? ? ? ? ? . 111 GLU A C 1787 ATOM 846 O O . GLU A 1787 111 . 18.906 -19.449 -17.859 1.00 13.73 ? ? ? ? ? . 111 GLU A O 1787 ATOM 847 C CB . GLU A 1787 111 . 16.924 -17.028 -17.330 1.00 15.68 ? ? ? ? ? . 111 GLU A CB 1787 ATOM 848 C CG . GLU A 1787 111 . 15.532 -17.397 -16.906 1.00 23.86 ? ? ? ? ? . 111 GLU A CG 1787 ATOM 849 C CD . GLU A 1787 111 . 14.494 -16.521 -17.592 1.00 30.96 ? ? ? ? ? . 111 GLU A CD 1787 ATOM 850 O OE1 . GLU A 1787 111 . 14.814 -15.352 -17.942 1.00 34.30 ? ? ? ? ? . 111 GLU A OE1 1787 ATOM 851 O OE2 . GLU A 1787 111 . 13.344 -17.005 -17.758 1.00 39.81 ? ? ? ? ? 1- 111 GLU A OE2 1787 ATOM 852 N N . GLY A 1787 112 . 17.424 -19.973 -16.279 1.00 15.61 ? ? ? ? ? . 112 GLY A N 1787 ATOM 853 C CA . GLY A 1787 112 . 17.121 -21.317 -16.779 1.00 15.75 ? ? ? ? ? . 112 GLY A CA 1787 ATOM 854 C C . GLY A 1787 112 . 17.886 -22.391 -16.055 1.00 16.55 ? ? ? ? ? . 112 GLY A C 1787 ATOM 855 O O . GLY A 1787 112 . 18.677 -22.098 -15.127 1.00 16.52 ? ? ? ? ? . 112 GLY A O 1787 ATOM 856 N N . ASN A 1787 113 . 17.656 -23.645 -16.464 1.00 18.07 ? ? ? ? ? . 113 ASN A N 1787 ATOM 857 C CA . ASN A 1787 113 . 18.491 -24.762 -16.084 1.00 19.69 ? ? ? ? ? . 113 ASN A CA 1787 ATOM 858 C C . ASN A 1787 113 . 18.889 -25.488 -17.368 1.00 19.52 ? ? ? ? ? . 113 ASN A C 1787 ATOM 859 O O . ASN A 1787 113 . 18.038 -26.125 -17.985 1.00 21.54 ? ? ? ? ? . 113 ASN A O 1787 ATOM 860 C CB . ASN A 1787 113 . 17.791 -25.715 -15.098 1.00 21.36 ? ? ? ? ? . 113 ASN A CB 1787 ATOM 861 C CG . ASN A 1787 113 . 18.700 -26.868 -14.671 1.00 24.37 ? ? ? ? ? . 113 ASN A CG 1787 ATOM 862 N ND2 . ASN A 1787 113 . 18.097 -27.929 -14.163 1.00 28.26 ? ? ? ? ? . 113 ASN A ND2 1787 ATOM 863 O OD1 . ASN A 1787 113 . 19.923 -26.806 -14.809 1.00 27.64 ? ? ? ? ? . 113 ASN A OD1 1787 ATOM 864 N N . PRO A 1787 114 . 20.169 -25.388 -17.812 1.00 18.56 ? ? ? ? ? . 114 PRO A N 1787 ATOM 865 C CA . PRO A 1787 114 . 21.304 -24.685 -17.198 1.00 16.42 ? ? ? ? ? . 114 PRO A CA 1787 ATOM 866 C C . PRO A 1787 114 . 21.074 -23.191 -17.095 1.00 14.08 ? ? ? ? ? . 114 PRO A C 1787 ATOM 867 O O . PRO A 1787 114 . 20.356 -22.622 -17.910 1.00 15.08 ? ? ? ? ? . 114 PRO A O 1787 ATOM 868 C CB . PRO A 1787 114 . 22.478 -25.037 -18.098 1.00 16.47 ? ? ? ? ? . 114 PRO A CB 1787 ATOM 869 C CG . PRO A 1787 114 . 21.901 -25.313 -19.410 1.00 18.14 ? ? ? ? ? . 114 PRO A CG 1787 ATOM 870 C CD . PRO A 1787 114 . 20.542 -25.931 -19.136 1.00 18.60 ? ? ? ? ? . 114 PRO A CD 1787 ATOM 871 N N . TYR A 1787 115 . 21.734 -22.585 -16.125 1.00 13.65 ? ? ? ? ? . 115 TYR A N 1787 ATOM 872 C CA . TYR A 1787 115 . 21.615 -21.147 -15.843 1.00 12.71 ? ? ? ? ? . 115 TYR A CA 1787 ATOM 873 C C . TYR A 1787 115 . 22.605 -20.424 -16.716 1.00 12.52 ? ? ? ? ? . 115 TYR A C 1787 ATOM 874 O O . TYR A 1787 115 . 23.813 -20.469 -16.472 1.00 12.99 ? ? ? ? ? . 115 TYR A O 1787 ATOM 875 C CB . TYR A 1787 115 . 21.928 -20.961 -14.377 1.00 12.68 ? ? ? ? ? . 115 TYR A CB 1787 ATOM 876 C CG . TYR A 1787 115 . 21.573 -19.641 -13.789 1.00 11.32 ? ? ? ? ? . 115 TYR A CG 1787 ATOM 877 C CD1 . TYR A 1787 115 . 20.269 -19.217 -13.700 1.00 12.93 ? ? ? ? ? . 115 TYR A CD1 1787 ATOM 878 C CD2 . TYR A 1787 115 . 22.548 -18.819 -13.236 1.00 11.75 ? ? ? ? ? . 115 TYR A CD2 1787 ATOM 879 C CE1 . TYR A 1787 115 . 19.947 -18.001 -13.133 1.00 13.95 ? ? ? ? ? . 115 TYR A CE1 1787 ATOM 880 C CE2 . TYR A 1787 115 . 22.216 -17.583 -12.643 1.00 12.80 ? ? ? ? ? . 115 TYR A CE2 1787 ATOM 881 C CZ . TYR A 1787 115 . 20.912 -17.194 -12.570 1.00 15.07 ? ? ? ? ? . 115 TYR A CZ 1787 ATOM 882 O OH . TYR A 1787 115 . 20.522 -16.025 -11.962 1.00 16.23 ? ? ? ? ? . 115 TYR A OH 1787 ATOM 883 N N . VAL A 1787 116 . 22.095 -19.853 -17.815 1.00 11.01 ? ? ? ? ? . 116 VAL A N 1787 ATOM 884 C CA . VAL A 1787 116 . 22.917 -19.339 -18.915 1.00 10.12 ? ? ? ? ? . 116 VAL A CA 1787 ATOM 885 C C . VAL A 1787 116 . 22.483 -17.905 -19.283 1.00 9.63 ? ? ? ? ? . 116 VAL A C 1787 ATOM 886 O O . VAL A 1787 116 . 21.422 -17.471 -18.903 1.00 9.57 ? ? ? ? ? . 116 VAL A O 1787 ATOM 887 C CB . VAL A 1787 116 . 22.838 -20.224 -20.173 1.00 10.86 ? ? ? ? ? . 116 VAL A CB 1787 ATOM 888 C CG1 . VAL A 1787 116 . 23.412 -21.629 -19.859 1.00 12.19 ? ? ? ? ? . 116 VAL A CG1 1787 ATOM 889 C CG2 . VAL A 1787 116 . 21.414 -20.319 -20.636 1.00 11.85 ? ? ? ? ? . 116 VAL A CG2 1787 ATOM 890 N N . PRO A 1787 117 . 23.314 -17.201 -20.060 1.00 8.69 ? ? ? ? ? . 117 PRO A N 1787 ATOM 891 C CA . PRO A 1787 117 . 22.976 -15.819 -20.399 1.00 9.64 ? ? ? ? ? . 117 PRO A CA 1787 ATOM 892 C C . PRO A 1787 117 . 21.779 -15.735 -21.342 1.00 9.46 ? ? ? ? ? . 117 PRO A C 1787 ATOM 893 O O . PRO A 1787 117 . 21.681 -16.496 -22.333 1.00 9.92 ? ? ? ? ? . 117 PRO A O 1787 ATOM 894 C CB . PRO A 1787 117 . 24.229 -15.293 -21.077 1.00 10.74 ? ? ? ? ? . 117 PRO A CB 1787 ATOM 895 C CG . PRO A 1787 117 . 25.343 -16.230 -20.561 1.00 9.76 ? ? ? ? ? . 117 PRO A CG 1787 ATOM 896 C CD . PRO A 1787 117 . 24.714 -17.559 -20.396 1.00 8.78 ? ? ? ? ? . 117 PRO A CD 1787 ATOM 897 N N . VAL A 1787 118 . 20.847 -14.853 -21.020 1.00 9.71 ? ? ? ? ? . 118 VAL A N 1787 ATOM 898 C CA . VAL A 1787 118 . 19.696 -14.591 -21.867 1.00 10.03 ? ? ? ? ? . 118 VAL A CA 1787 ATOM 899 C C . VAL A 1787 118 . 19.586 -13.137 -22.297 1.00 11.22 ? ? ? ? ? . 118 VAL A C 1787 ATOM 900 O O . VAL A 1787 118 . 18.821 -12.845 -23.196 1.00 13.11 ? ? ? ? ? . 118 VAL A O 1787 ATOM 901 C CB . VAL A 1787 118 . 18.414 -15.068 -21.245 1.00 9.85 ? ? ? ? ? . 118 VAL A CB 1787 ATOM 902 C CG1 . VAL A 1787 118 . 18.410 -16.597 -21.111 1.00 10.69 ? ? ? ? ? . 118 VAL A CG1 1787 ATOM 903 C CG2 . VAL A 1787 118 . 18.117 -14.411 -19.881 1.00 12.41 ? ? ? ? ? . 118 VAL A CG2 1787 ATOM 904 N N . HIS A 1787 119 . 20.344 -12.221 -21.703 1.00 10.67 ? ? ? ? ? . 119 HIS A N 1787 ATOM 905 C CA . HIS A 1787 119 . 20.348 -10.834 -22.168 1.00 11.08 ? ? ? ? ? . 119 HIS A CA 1787 ATOM 906 C C . HIS A 1787 119 . 21.685 -10.201 -21.901 1.00 10.14 ? ? ? ? ? . 119 HIS A C 1787 ATOM 907 O O . HIS A 1787 119 . 22.344 -10.562 -20.913 1.00 11.51 ? ? ? ? ? . 119 HIS A O 1787 ATOM 908 C CB . HIS A 1787 119 . 19.348 -9.941 -21.438 1.00 13.09 ? ? ? ? ? . 119 HIS A CB 1787 ATOM 909 C CG . HIS A 1787 119 . 17.931 -10.379 -21.502 1.00 17.18 ? ? ? ? ? . 119 HIS A CG 1787 ATOM 910 C CD2 . HIS A 1787 119 . 17.088 -10.754 -20.510 1.00 22.41 ? ? ? ? ? . 119 HIS A CD2 1787 ATOM 911 N ND1 . HIS A 1787 119 . 17.191 -10.395 -22.671 1.00 22.06 ? ? ? ? ? . 119 HIS A ND1 1787 ATOM 912 C CE1 . HIS A 1787 119 . 15.963 -10.818 -22.394 1.00 24.14 ? ? ? ? ? . 119 HIS A CE1 1787 ATOM 913 N NE2 . HIS A 1787 119 . 15.877 -11.037 -21.090 1.00 23.44 ? ? ? ? ? . 119 HIS A NE2 1787 ATOM 914 N N . PHE A 1787 120 . 22.112 -9.279 -22.756 1.00 11.72 ? ? ? ? ? . 120 PHE A N 1787 ATOM 915 C CA . PHE A 1787 120 . 23.312 -8.510 -22.591 1.00 11.60 ? ? ? ? ? . 120 PHE A CA 1787 ATOM 916 C C . PHE A 1787 120 . 22.878 -7.185 -22.005 1.00 12.92 ? ? ? ? ? . 120 PHE A C 1787 ATOM 917 O O . PHE A 1787 120 . 22.144 -6.415 -22.670 1.00 15.37 ? ? ? ? ? . 120 PHE A O 1787 ATOM 918 C CB . PHE A 1787 120 . 24.086 -8.340 -23.927 1.00 13.13 ? ? ? ? ? . 120 PHE A CB 1787 ATOM 919 C CG . PHE A 1787 120 . 25.453 -7.743 -23.752 1.00 11.98 ? ? ? ? ? . 120 PHE A CG 1787 ATOM 920 C CD1 . PHE A 1787 120 . 25.623 -6.368 -23.678 1.00 13.91 ? ? ? ? ? . 120 PHE A CD1 1787 ATOM 921 C CD2 . PHE A 1787 120 . 26.590 -8.568 -23.611 1.00 12.70 ? ? ? ? ? . 120 PHE A CD2 1787 ATOM 922 C CE1 . PHE A 1787 120 . 26.885 -5.812 -23.476 1.00 13.47 ? ? ? ? ? . 120 PHE A CE1 1787 ATOM 923 C CE2 . PHE A 1787 120 . 27.811 -8.004 -23.398 1.00 13.95 ? ? ? ? ? . 120 PHE A CE2 1787 ATOM 924 C CZ . PHE A 1787 120 . 27.959 -6.644 -23.339 1.00 14.02 ? ? ? ? ? . 120 PHE A CZ 1787 ATOM 925 N N . ASP A 1787 121 . 23.255 -6.924 -20.748 1.00 13.30 ? ? ? ? ? . 121 ASP A N 1787 ATOM 926 C CA . ASP A 1787 121 . 22.797 -5.674 -20.088 1.00 14.43 ? ? ? ? ? . 121 ASP A CA 1787 ATOM 927 C C . ASP A 1787 121 . 23.673 -4.442 -20.383 1.00 14.69 ? ? ? ? ? . 121 ASP A C 1787 ATOM 928 O O . ASP A 1787 121 . 23.177 -3.350 -20.672 1.00 16.60 ? ? ? ? ? . 121 ASP A O 1787 ATOM 929 C CB . ASP A 1787 121 . 22.660 -5.913 -18.579 1.00 14.58 ? ? ? ? ? . 121 ASP A CB 1787 ATOM 930 C CG . ASP A 1787 121 . 21.768 -4.889 -17.900 1.00 19.81 ? ? ? ? ? . 121 ASP A CG 1787 ATOM 931 O OD1 . ASP A 1787 121 . 20.626 -4.733 -18.375 1.00 23.95 ? ? ? ? ? . 121 ASP A OD1 1787 ATOM 932 O OD2 . ASP A 1787 121 . 22.177 -4.254 -16.876 1.00 20.55 ? ? ? ? ? 1- 121 ASP A OD2 1787 ATOM 933 N N . ALA A 1787 122 . 24.989 -4.606 -20.282 1.00 14.52 ? ? ? ? ? . 122 ALA A N 1787 ATOM 934 C CA . ALA A 1787 122 . 25.946 -3.533 -20.381 1.00 14.84 ? ? ? ? ? . 122 ALA A CA 1787 ATOM 935 C C . ALA A 1787 122 . 27.358 -4.033 -20.370 1.00 14.54 ? ? ? ? ? . 122 ALA A C 1787 ATOM 936 O O . ALA A 1787 122 . 27.605 -5.202 -20.093 1.00 12.93 ? ? ? ? ? . 122 ALA A O 1787 ATOM 937 C CB . ALA A 1787 122 . 25.772 -2.553 -19.193 1.00 15.42 ? ? ? ? ? . 122 ALA A CB 1787 ATOM 938 N N . SER A 1787 123 . 28.279 -3.138 -20.692 1.00 15.78 ? ? ? ? ? . 123 SER A N 1787 ATOM 939 C CA . SER A 1787 123 . 29.684 -3.346 -20.451 1.00 16.40 ? ? ? ? ? . 123 SER A CA 1787 ATOM 940 C C . SER A 1787 123 . 30.192 -2.261 -19.524 1.00 15.10 ? ? ? ? ? . 123 SER A C 1787 ATOM 941 O O . SER A 1787 123 . 29.662 -1.128 -19.486 1.00 15.81 ? ? ? ? ? . 123 SER A O 1787 ATOM 942 C CB . SER A 1787 123 . 30.493 -3.353 -21.790 1.00 17.49 ? ? ? ? ? . 123 SER A CB 1787 ATOM 943 O OG . SER A 1787 123 . 30.697 -2.052 -22.324 1.00 22.36 ? ? ? ? ? . 123 SER A OG 1787 ATOM 944 N N . VAL A 1787 124 . 31.221 -2.614 -18.770 1.00 14.39 ? ? ? ? ? . 124 VAL A N 1787 ATOM 945 C CA . VAL A 1787 124 . 31.935 -1.644 -17.952 1.00 17.92 ? ? ? ? ? . 124 VAL A CA 1787 ATOM 946 C C . VAL A 1787 124 . 33.402 -1.787 -18.219 1.00 18.10 ? ? ? ? ? . 124 VAL A C 1787 ATOM 947 O O . VAL A 1787 124 . 34.005 -2.750 -17.802 1.00 17.38 ? ? ? ? ? . 124 VAL A O 1787 ATOM 948 C CB . VAL A 1787 124 . 31.608 -1.810 -16.456 1.00 19.25 ? ? ? ? ? . 124 VAL A CB 1787 ATOM 949 C CG1 . VAL A 1787 124 . 32.450 -0.830 -15.589 1.00 22.64 ? ? ? ? ? . 124 VAL A CG1 1787 ATOM 950 C CG2 . VAL A 1787 124 . 30.156 -1.499 -16.255 1.00 21.11 ? ? ? ? ? . 124 VAL A CG2 1787 ATOM 951 O OXT . VAL A 1787 124 . 34.006 -0.902 -18.896 1.00 19.42 ? ? ? ? ? 1- 124 VAL A OXT 1787 #