data_SASDES5_MAIN # _sas_result.id 1145 _sas_result.SASBDB_code SASDES5 _sas_result.experimental_MW 12.000 _sas_result.experimental_MW_error . _sas_result.MW_standard 11.990 _sas_result.MW_standard_error 1.000 _sas_result.MW_Porod 11.500 _sas_result.MW_Porod_error . _sas_result.I0_from_PR 13.4500000000 _sas_result.I0_from_PR_error 0.0190000000 _sas_result.I0_from_Guinier 13.4800000000 _sas_result.I0_from_Guinier_error 0.0150000000 _sas_result.Rg_from_PR 1.530 _sas_result.Rg_from_PR_error 0.003 _sas_result.Rg_from_Guinier 1.540 _sas_result.Rg_from_Guinier_error 0.030 _sas_result.D_max 4.54 _sas_result.Porod_volume 23.85 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 27 _sas_result.Guinier_point_max 173 _sas_result.type_of_curve sec _sas_result.standard . _sas_result.Dmax_error 0.02 _sas_result.comments . # _sas_scan.title "Neurotrypsin Scavenger Receptor Cysteine-Rich Domain 3 (mmNT-SRCR3) - from SEC-SAXS" _sas_scan.detc_id 16 _sas_scan.id 1145 _sas_scan.measurement_date 2017-05-20 _sas_scan.storage_temperature 20.0 _sas_scan.cell_temperature 20.0 _sas_scan.exposure_time 1.000 _sas_scan.number_of_frames 22 _sas_scan.unit 1/nm _sas_scan.qmin 0.0327 _sas_scan.qmax 4.9445 _sas_scan.sample_id 1106 _sas_scan.result_id 1145 _sas_scan.beam_id 10 # _sas_beam.id 10 _sas_beam.instrument_name "ESRF BM29" _sas_beam.instrument_city Grenoble _sas_beam.instrument_country France _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.099190 _sas_beam.dist_spec_to_detc 2.87000 # _sas_detc.id 16 _sas_detc.name "Pilatus 1M" _sas_detc.type Dectris _sas_detc.pixsize_x 172.000 # _sas_sample.id 1106 _sas_sample.name "Neurotrypsin Scavenger Receptor Cysteine-Rich Domain 3 (mmNT-SRCR3) - from SEC-SAXS" _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 15.00 _sas_sample.concentration_method . _sas_sample.entity_id 1317 # _sas_buffer.id 694 _sas_buffer.name "25 mM HEPES/NaOH, 0.1 M NaCl" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 8.000 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 1106 # _entity.id 1317 _entity.type protein _entity.pdbx_description "Mouse Neurotrypsin Scavenger Receptor Cysteine-Rich Domain 3" _entity.formula_weight 13.165 _entity.pdbx_number_of_molecules 1 # _entity_name_com.entity_id 1317 _entity_name_com.name mmNT-SRCR3 # _entity_poly.entity_id 1317 _entity_poly.pdbx_seq_one_letter_code GTGEFTSGSGFPIRLVDGENKKEGRVEVFVNGQWGTICDDGWTDKHAAVICRQLGYKGPARARTMAYFGEGKGPIHMDNVKCTGNEKALADCVKQDIGRHNCRHSEDAGVICDYLEKKASS # _entity_src_gen.entity_id 1317 _entity_src_gen.gene_src_common_name "Mus musculus" # _struct_ref.id 1 _struct_ref.entity_id 1317 _struct_ref.db_name UniProt _struct_ref.db_code O08762 _struct_ref.details http://www.uniprot.org/uniprot/O08762 # _citation.id 432 _citation.title "Structural characterization of the third scavenger receptor cysteine-rich domain of murine Neurotrypsin" _citation.year "2019 Feb 12" _citation.pdbx_database_id_DOI 10.1002/pro.3587 _citation.pdbx_database_id_PubMed . # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 432 1 "Canciani A" 432 2 "Catucci G" # _pdbx_contact_author.id 241 _pdbx_contact_author.name_first Federico _pdbx_contact_author.name_last Forneris _pdbx_contact_author.role . _pdbx_contact_author.address_1 . _pdbx_contact_author.address_2 "University of Pavia" _pdbx_contact_author.address_3 . # 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 3.266015E-02 5.358800E+00 6.294207E+00 1145 2 3.737396E-02 3.200000E-02 3.887859E+00 1145 3 4.208777E-02 3.859000E+00 2.664055E+00 1145 4 4.680158E-02 7.759300E+00 1.802975E+00 1145 5 5.151539E-02 8.943000E+00 1.347002E+00 1145 6 5.622921E-02 1.028040E+01 1.071000E+00 1145 7 6.094302E-02 1.068800E+01 8.745976E-01 1145 8 6.565683E-02 9.442100E+00 7.302493E-01 1145 9 7.037064E-02 1.008450E+01 6.232664E-01 1145 10 7.508445E-02 1.150050E+01 5.429742E-01 1145 11 7.979827E-02 1.223240E+01 4.813714E-01 1145 12 8.451208E-02 1.258070E+01 4.337710E-01 1145 13 8.922589E-02 1.207476E+01 3.947753E-01 1145 14 9.393970E-02 1.252773E+01 3.605492E-01 1145 15 9.865351E-02 1.273774E+01 3.374000E-01 1145 16 1.033673E-01 1.246320E+01 3.181119E-01 1145 17 1.080811E-01 1.290108E+01 3.000329E-01 1145 18 1.127949E-01 1.293683E+01 2.830791E-01 1145 19 1.175088E-01 1.292718E+01 2.701549E-01 1145 20 1.222226E-01 1.294868E+01 2.586969E-01 1145 21 1.269364E-01 1.314378E+01 2.483416E-01 1145 22 1.316502E-01 1.339117E+01 2.398436E-01 1145 23 1.363640E-01 1.306275E+01 2.309830E-01 1145 24 1.410778E-01 1.256275E+01 2.228363E-01 1145 25 1.457916E-01 1.277164E+01 2.169288E-01 1145 26 1.505054E-01 1.298861E+01 2.110238E-01 1145 27 1.552193E-01 1.319840E+01 2.063260E-01 1145 28 1.599331E-01 1.285824E+01 2.007042E-01 1145 29 1.646469E-01 1.303047E+01 1.964872E-01 1145 30 1.693607E-01 1.324217E+01 1.923610E-01 1145 31 1.740745E-01 1.308017E+01 1.882217E-01 1145 32 1.787883E-01 1.309310E+01 1.847949E-01 1145 33 1.835021E-01 1.318699E+01 1.814011E-01 1145 34 1.882159E-01 1.299800E+01 1.775938E-01 1145 35 1.929297E-01 1.312755E+01 1.749709E-01 1145 36 1.976436E-01 1.291343E+01 1.719375E-01 1145 37 2.023574E-01 1.310296E+01 1.696238E-01 1145 38 2.070712E-01 1.292324E+01 1.667708E-01 1145 39 2.117850E-01 1.296071E+01 1.640652E-01 1145 40 2.164988E-01 1.310902E+01 1.620635E-01 1145 41 2.212126E-01 1.310470E+01 1.600952E-01 1145 42 2.259264E-01 1.268280E+01 1.575304E-01 1145 43 2.306402E-01 1.307276E+01 1.558552E-01 1145 44 2.353541E-01 1.280274E+01 1.536126E-01 1145 45 2.400679E-01 1.280778E+01 1.519116E-01 1145 46 2.447817E-01 1.278276E+01 1.500949E-01 1145 47 2.494955E-01 1.282569E+01 1.484509E-01 1145 48 2.542093E-01 1.264465E+01 1.465098E-01 1145 49 2.589231E-01 1.282953E+01 1.450764E-01 1145 50 2.636369E-01 1.275226E+01 1.433928E-01 1145 51 2.683507E-01 1.281970E+01 1.418355E-01 1145 52 2.730646E-01 1.284779E+01 1.406758E-01 1145 53 2.777784E-01 1.272940E+01 1.393439E-01 1145 54 2.824922E-01 1.264183E+01 1.379376E-01 1145 55 2.872060E-01 1.256561E+01 1.365702E-01 1145 56 2.919198E-01 1.280790E+01 1.355072E-01 1145 57 2.966336E-01 1.259334E+01 1.339800E-01 1145 58 3.013474E-01 1.271093E+01 1.331468E-01 1145 59 3.060612E-01 1.245868E+01 1.315858E-01 1145 60 3.107750E-01 1.248568E+01 1.304689E-01 1145 61 3.154888E-01 1.233409E+01 1.292878E-01 1145 62 3.202026E-01 1.255604E+01 1.286185E-01 1145 63 3.249165E-01 1.221346E+01 1.270393E-01 1145 64 3.296303E-01 1.230367E+01 1.262040E-01 1145 65 3.343441E-01 1.232064E+01 1.253729E-01 1145 66 3.390579E-01 1.255943E+01 1.261638E-01 1145 67 3.437717E-01 1.225688E+01 1.275305E-01 1145 68 3.484855E-01 1.217012E+01 1.303863E-01 1145 69 3.531993E-01 1.235892E+01 1.330221E-01 1145 70 3.579132E-01 1.227727E+01 1.344695E-01 1145 71 3.626270E-01 1.217899E+01 1.356184E-01 1145 72 3.673408E-01 1.216436E+01 1.365228E-01 1145 73 3.720546E-01 1.203842E+01 1.372983E-01 1145 74 3.767684E-01 1.209792E+01 1.383210E-01 1145 75 3.814822E-01 1.194616E+01 1.389151E-01 1145 76 3.861960E-01 1.203793E+01 1.395631E-01 1145 77 3.909098E-01 1.197368E+01 1.399781E-01 1145 78 3.956236E-01 1.197204E+01 1.406442E-01 1145 79 4.003375E-01 1.197094E+01 1.414618E-01 1145 80 4.050513E-01 1.192796E+01 1.456572E-01 1145 81 4.097651E-01 1.220799E+01 1.501215E-01 1145 82 4.144789E-01 1.179094E+01 1.526451E-01 1145 83 4.191927E-01 1.183739E+01 1.551745E-01 1145 84 4.239065E-01 1.175710E+01 1.573274E-01 1145 85 4.286203E-01 1.181733E+01 1.597400E-01 1145 86 4.333341E-01 1.160345E+01 1.617668E-01 1145 87 4.380480E-01 1.142180E+01 1.641068E-01 1145 88 4.427618E-01 1.119074E+01 1.658970E-01 1145 89 4.474756E-01 1.148033E+01 1.690062E-01 1145 90 4.521894E-01 1.164447E+01 1.723694E-01 1145 91 4.569032E-01 1.145386E+01 1.738351E-01 1145 92 4.616170E-01 1.128966E+01 1.750776E-01 1145 93 4.663308E-01 1.125217E+01 1.753556E-01 1145 94 4.710446E-01 1.146128E+01 1.690909E-01 1145 95 4.757584E-01 1.126147E+01 1.649447E-01 1145 96 4.804723E-01 1.108029E+01 1.623908E-01 1145 97 4.851861E-01 1.112278E+01 1.607025E-01 1145 98 4.898999E-01 1.125231E+01 1.594818E-01 1145 99 4.946137E-01 1.123550E+01 1.584371E-01 1145 100 4.993275E-01 1.113656E+01 1.570787E-01 1145 101 5.040413E-01 1.090879E+01 1.556907E-01 1145 102 5.087552E-01 1.106763E+01 1.552480E-01 1145 103 5.134689E-01 1.095054E+01 1.542696E-01 1145 104 5.181828E-01 1.079762E+01 1.533056E-01 1145 105 5.228966E-01 1.090700E+01 1.524811E-01 1145 106 5.276104E-01 1.095881E+01 1.520787E-01 1145 107 5.323242E-01 1.067695E+01 1.506471E-01 1145 108 5.370380E-01 1.050548E+01 1.494423E-01 1145 109 5.417518E-01 1.077003E+01 1.487281E-01 1145 110 5.464656E-01 1.050835E+01 1.473547E-01 1145 111 5.511794E-01 1.052015E+01 1.463781E-01 1145 112 5.558932E-01 1.053843E+01 1.454296E-01 1145 113 5.606071E-01 1.052570E+01 1.445709E-01 1145 114 5.653208E-01 1.048349E+01 1.434563E-01 1145 115 5.700347E-01 1.043309E+01 1.425782E-01 1145 116 5.747485E-01 1.052980E+01 1.419788E-01 1145 117 5.794623E-01 1.034041E+01 1.408812E-01 1145 118 5.841761E-01 1.042830E+01 1.405101E-01 1145 119 5.888899E-01 1.044173E+01 1.400288E-01 1145 120 5.936037E-01 1.014685E+01 1.392355E-01 1145 121 5.983176E-01 1.016727E+01 1.390155E-01 1145 122 6.030313E-01 1.001259E+01 1.384793E-01 1145 123 6.077452E-01 1.012002E+01 1.382500E-01 1145 124 6.124590E-01 9.962420E+00 1.377020E-01 1145 125 6.171728E-01 9.881270E+00 1.371656E-01 1145 126 6.218866E-01 9.770180E+00 1.365447E-01 1145 127 6.266004E-01 9.872620E+00 1.364573E-01 1145 128 6.313142E-01 9.776660E+00 1.358661E-01 1145 129 6.360280E-01 9.735680E+00 1.356008E-01 1145 130 6.407418E-01 9.630440E+00 1.351006E-01 1145 131 6.454557E-01 9.648450E+00 1.348849E-01 1145 132 6.501695E-01 9.717470E+00 1.347092E-01 1145 133 6.548833E-01 9.623930E+00 1.341331E-01 1145 134 6.595971E-01 9.439160E+00 1.333764E-01 1145 135 6.643109E-01 9.365870E+00 1.330900E-01 1145 136 6.690247E-01 9.404970E+00 1.329533E-01 1145 137 6.737385E-01 9.362170E+00 1.325582E-01 1145 138 6.784524E-01 9.321920E+00 1.321052E-01 1145 139 6.831662E-01 9.335690E+00 1.319342E-01 1145 140 6.878800E-01 9.241250E+00 1.315474E-01 1145 141 6.925938E-01 9.179960E+00 1.311043E-01 1145 142 6.973076E-01 9.082490E+00 1.305861E-01 1145 143 7.020214E-01 9.036170E+00 1.302664E-01 1145 144 7.067352E-01 9.217520E+00 1.302959E-01 1145 145 7.114490E-01 9.065490E+00 1.298278E-01 1145 146 7.161629E-01 9.121020E+00 1.295418E-01 1145 147 7.208766E-01 8.920300E+00 1.289916E-01 1145 148 7.255905E-01 8.827020E+00 1.285576E-01 1145 149 7.303043E-01 8.908430E+00 1.283998E-01 1145 150 7.350181E-01 8.954520E+00 1.284068E-01 1145 151 7.397319E-01 8.608760E+00 1.274033E-01 1145 152 7.444457E-01 8.626890E+00 1.272626E-01 1145 153 7.491595E-01 8.566850E+00 1.268976E-01 1145 154 7.538734E-01 8.530520E+00 1.265528E-01 1145 155 7.585871E-01 8.685470E+00 1.263590E-01 1145 156 7.633010E-01 8.465430E+00 1.258863E-01 1145 157 7.680148E-01 8.373700E+00 1.254146E-01 1145 158 7.727286E-01 8.652110E+00 1.256383E-01 1145 159 7.774424E-01 8.554450E+00 1.251849E-01 1145 160 7.821562E-01 8.439990E+00 1.248685E-01 1145 161 7.868700E-01 8.453050E+00 1.246190E-01 1145 162 7.915838E-01 8.274370E+00 1.240921E-01 1145 163 7.962976E-01 8.112260E+00 1.234682E-01 1145 164 8.010114E-01 8.119770E+00 1.232505E-01 1145 165 8.057253E-01 8.079240E+00 1.230124E-01 1145 166 8.104391E-01 7.975850E+00 1.226753E-01 1145 167 8.151529E-01 7.977630E+00 1.224163E-01 1145 168 8.198667E-01 7.813990E+00 1.218800E-01 1145 169 8.245805E-01 7.908530E+00 1.217141E-01 1145 170 8.292943E-01 7.853650E+00 1.214096E-01 1145 171 8.340082E-01 7.747550E+00 1.209944E-01 1145 172 8.387219E-01 7.687060E+00 1.207441E-01 1145 173 8.434358E-01 7.610400E+00 1.203714E-01 1145 174 8.481495E-01 7.539290E+00 1.200876E-01 1145 175 8.528634E-01 7.557250E+00 1.198433E-01 1145 176 8.575772E-01 7.456810E+00 1.193370E-01 1145 177 8.622910E-01 7.405190E+00 1.190874E-01 1145 178 8.670048E-01 7.484760E+00 1.189496E-01 1145 179 8.717187E-01 7.309010E+00 1.185340E-01 1145 180 8.764324E-01 7.295290E+00 1.182855E-01 1145 181 8.811463E-01 7.435150E+00 1.182772E-01 1145 182 8.858601E-01 7.033950E+00 1.174335E-01 1145 183 8.905739E-01 7.012730E+00 1.171608E-01 1145 184 8.952877E-01 7.157510E+00 1.170667E-01 1145 185 9.000015E-01 7.094210E+00 1.167749E-01 1145 186 9.047153E-01 7.106110E+00 1.165277E-01 1145 187 9.094291E-01 7.040460E+00 1.163986E-01 1145 188 9.141429E-01 6.950830E+00 1.159196E-01 1145 189 9.188567E-01 6.957190E+00 1.156383E-01 1145 190 9.235706E-01 6.808740E+00 1.152900E-01 1145 191 9.282843E-01 6.912130E+00 1.152022E-01 1145 192 9.329982E-01 6.814900E+00 1.149274E-01 1145 193 9.377120E-01 6.700490E+00 1.145586E-01 1145 194 9.424258E-01 6.833310E+00 1.146275E-01 1145 195 9.471396E-01 6.629370E+00 1.140954E-01 1145 196 9.518534E-01 6.677260E+00 1.138367E-01 1145 197 9.565672E-01 6.634680E+00 1.135614E-01 1145 198 9.612811E-01 6.363990E+00 1.130590E-01 1145 199 9.659948E-01 6.462190E+00 1.129197E-01 1145 200 9.707087E-01 6.461550E+00 1.127485E-01 1145 201 9.754225E-01 6.469450E+00 1.124507E-01 1145 202 9.801363E-01 6.491740E+00 1.122889E-01 1145 203 9.848501E-01 6.207740E+00 1.117887E-01 1145 204 9.895639E-01 6.074370E+00 1.113380E-01 1145 205 9.942777E-01 6.193530E+00 1.112928E-01 1145 206 9.989915E-01 6.203660E+00 1.110888E-01 1145 207 1.003705E+00 6.015100E+00 1.106785E-01 1145 208 1.008419E+00 6.014980E+00 1.105396E-01 1145 209 1.013133E+00 6.026360E+00 1.102458E-01 1145 210 1.017847E+00 5.918220E+00 1.098472E-01 1145 211 1.022561E+00 5.973430E+00 1.098236E-01 1145 212 1.027274E+00 5.939560E+00 1.096582E-01 1145 213 1.031988E+00 5.873520E+00 1.093043E-01 1145 214 1.036702E+00 5.937040E+00 1.090532E-01 1145 215 1.041416E+00 5.746520E+00 1.088159E-01 1145 216 1.046130E+00 5.688960E+00 1.085986E-01 1145 217 1.050844E+00 5.608000E+00 1.082140E-01 1145 218 1.055557E+00 5.634500E+00 1.080212E-01 1145 219 1.060271E+00 5.685670E+00 1.078613E-01 1145 220 1.064985E+00 5.554210E+00 1.075416E-01 1145 221 1.069699E+00 5.476860E+00 1.072934E-01 1145 222 1.074413E+00 5.582920E+00 1.072683E-01 1145 223 1.079126E+00 5.396720E+00 1.067215E-01 1145 224 1.083840E+00 5.387350E+00 1.066619E-01 1145 225 1.088554E+00 5.302400E+00 1.063423E-01 1145 226 1.093268E+00 5.213260E+00 1.059243E-01 1145 227 1.097982E+00 5.220950E+00 1.058619E-01 1145 228 1.102695E+00 5.300160E+00 1.057364E-01 1145 229 1.107409E+00 5.318170E+00 1.055542E-01 1145 230 1.112123E+00 5.039130E+00 1.049729E-01 1145 231 1.116837E+00 5.133230E+00 1.050075E-01 1145 232 1.121551E+00 5.210340E+00 1.049164E-01 1145 233 1.126265E+00 4.859380E+00 1.043204E-01 1145 234 1.130978E+00 4.993390E+00 1.042504E-01 1145 235 1.135692E+00 5.003180E+00 1.041162E-01 1145 236 1.140406E+00 4.899180E+00 1.037977E-01 1145 237 1.145120E+00 4.892980E+00 1.036811E-01 1145 238 1.149834E+00 4.743210E+00 1.033064E-01 1145 239 1.154547E+00 4.598770E+00 1.029258E-01 1145 240 1.159261E+00 4.729800E+00 1.029459E-01 1145 241 1.163975E+00 4.615090E+00 1.025780E-01 1145 242 1.168689E+00 4.668940E+00 1.025396E-01 1145 243 1.173402E+00 4.527580E+00 1.021446E-01 1145 244 1.178116E+00 4.509770E+00 1.019706E-01 1145 245 1.182830E+00 4.537180E+00 1.018438E-01 1145 246 1.187544E+00 4.516220E+00 1.016330E-01 1145 247 1.192258E+00 4.576690E+00 1.016171E-01 1145 248 1.196972E+00 4.536180E+00 1.014346E-01 1145 249 1.201685E+00 4.526620E+00 1.012630E-01 1145 250 1.206399E+00 4.316130E+00 1.011168E-01 1145 251 1.211113E+00 4.289350E+00 1.041185E-01 1145 252 1.215827E+00 4.270340E+00 1.062234E-01 1145 253 1.220541E+00 4.288140E+00 1.079730E-01 1145 254 1.225254E+00 4.152640E+00 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3.137944E-01 1145 1022 4.845462E+00 -1.254000E-02 3.196210E-01 1145 1023 4.850176E+00 3.492500E-01 3.282126E-01 1145 1024 4.854889E+00 4.299800E-01 3.375480E-01 1145 1025 4.859603E+00 -2.186900E-01 3.437439E-01 1145 1026 4.864317E+00 3.935300E-01 3.576179E-01 1145 1027 4.869031E+00 1.919700E-01 3.675671E-01 1145 1028 4.873745E+00 -1.768000E-02 3.774772E-01 1145 1029 4.878458E+00 2.474500E-01 3.919199E-01 1145 1030 4.883172E+00 8.505700E-01 4.101687E-01 1145 1031 4.887886E+00 6.868300E-01 4.248604E-01 1145 1032 4.892600E+00 -4.054600E-01 4.351719E-01 1145 1033 4.897314E+00 3.150300E-01 4.594795E-01 1145 1034 4.902028E+00 -5.015000E-01 4.801438E-01 1145 1035 4.906742E+00 -1.050800E-01 5.109473E-01 1145 1036 4.911455E+00 5.513500E-01 5.494213E-01 1145 1037 4.916169E+00 7.601400E-01 5.945623E-01 1145 1038 4.920883E+00 1.760600E-01 6.436760E-01 1145 1039 4.925597E+00 4.915100E-01 7.219891E-01 1145 1040 4.930310E+00 -4.884100E-01 8.097781E-01 1145 1041 4.935024E+00 -2.788900E-01 9.668589E-01 1145 1042 4.939738E+00 -3.140300E+00 1.217607E+00 1145 1043 4.944452E+00 -9.733800E-01 1.865397E+00 1145 # _sas_p_of_R_details.id 1145 _sas_p_of_R_details.intensity_id 1145 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 1017 _sas_p_of_R_details.qmin 0.155219 _sas_p_of_R_details.qmax 4.94445 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 1017 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 4.54 # 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 1145 1 0.000000E+00 0.000000E+00 0.000000E+00 1145 2 1.787000E-02 3.674000E-03 3.079000E-04 1145 3 3.575000E-02 7.389000E-03 5.849000E-04 1145 4 5.362000E-02 1.114000E-02 8.312000E-04 1145 5 7.150000E-02 1.494000E-02 1.047000E-03 1145 6 8.937000E-02 1.878000E-02 1.233000E-03 1145 7 1.072000E-01 2.266000E-02 1.390000E-03 1145 8 1.251000E-01 2.658000E-02 1.519000E-03 1145 9 1.430000E-01 3.055000E-02 1.619000E-03 1145 10 1.609000E-01 3.456000E-02 1.693000E-03 1145 11 1.787000E-01 3.862000E-02 1.741000E-03 1145 12 1.966000E-01 4.272000E-02 1.764000E-03 1145 13 2.145000E-01 4.687000E-02 1.765000E-03 1145 14 2.324000E-01 5.108000E-02 1.743000E-03 1145 15 2.502000E-01 5.533000E-02 1.701000E-03 1145 16 2.681000E-01 5.964000E-02 1.641000E-03 1145 17 2.860000E-01 6.400000E-02 1.563000E-03 1145 18 3.039000E-01 6.842000E-02 1.472000E-03 1145 19 3.217000E-01 7.290000E-02 1.368000E-03 1145 20 3.396000E-01 7.744000E-02 1.255000E-03 1145 21 3.575000E-01 8.204000E-02 1.136000E-03 1145 22 3.754000E-01 8.670000E-02 1.016000E-03 1145 23 3.932000E-01 9.143000E-02 9.015000E-04 1145 24 4.111000E-01 9.623000E-02 8.015000E-04 1145 25 4.290000E-01 1.011000E-01 7.280000E-04 1145 26 4.469000E-01 1.060000E-01 6.942000E-04 1145 27 4.647000E-01 1.110000E-01 7.089000E-04 1145 28 4.826000E-01 1.161000E-01 7.707000E-04 1145 29 5.005000E-01 1.213000E-01 8.694000E-04 1145 30 5.183000E-01 1.265000E-01 9.928000E-04 1145 31 5.362000E-01 1.318000E-01 1.131000E-03 1145 32 5.541000E-01 1.372000E-01 1.276000E-03 1145 33 5.720000E-01 1.426000E-01 1.424000E-03 1145 34 5.898000E-01 1.482000E-01 1.570000E-03 1145 35 6.077000E-01 1.538000E-01 1.712000E-03 1145 36 6.256000E-01 1.595000E-01 1.847000E-03 1145 37 6.435000E-01 1.652000E-01 1.975000E-03 1145 38 6.613000E-01 1.711000E-01 2.093000E-03 1145 39 6.792000E-01 1.770000E-01 2.201000E-03 1145 40 6.971000E-01 1.830000E-01 2.297000E-03 1145 41 7.150000E-01 1.891000E-01 2.382000E-03 1145 42 7.328000E-01 1.952000E-01 2.454000E-03 1145 43 7.507000E-01 2.015000E-01 2.512000E-03 1145 44 7.686000E-01 2.078000E-01 2.558000E-03 1145 45 7.865000E-01 2.141000E-01 2.590000E-03 1145 46 8.043000E-01 2.205000E-01 2.608000E-03 1145 47 8.222000E-01 2.270000E-01 2.613000E-03 1145 48 8.401000E-01 2.336000E-01 2.606000E-03 1145 49 8.580000E-01 2.402000E-01 2.585000E-03 1145 50 8.758000E-01 2.468000E-01 2.553000E-03 1145 51 8.937000E-01 2.535000E-01 2.510000E-03 1145 52 9.116000E-01 2.603000E-01 2.456000E-03 1145 53 9.294000E-01 2.670000E-01 2.393000E-03 1145 54 9.473000E-01 2.739000E-01 2.322000E-03 1145 55 9.652000E-01 2.807000E-01 2.245000E-03 1145 56 9.831000E-01 2.876000E-01 2.163000E-03 1145 57 1.001000E+00 2.944000E-01 2.077000E-03 1145 58 1.019000E+00 3.013000E-01 1.991000E-03 1145 59 1.037000E+00 3.082000E-01 1.906000E-03 1145 60 1.055000E+00 3.151000E-01 1.825000E-03 1145 61 1.072000E+00 3.220000E-01 1.751000E-03 1145 62 1.090000E+00 3.289000E-01 1.686000E-03 1145 63 1.108000E+00 3.358000E-01 1.635000E-03 1145 64 1.126000E+00 3.426000E-01 1.598000E-03 1145 65 1.144000E+00 3.494000E-01 1.579000E-03 1145 66 1.162000E+00 3.561000E-01 1.578000E-03 1145 67 1.180000E+00 3.628000E-01 1.594000E-03 1145 68 1.198000E+00 3.695000E-01 1.628000E-03 1145 69 1.215000E+00 3.761000E-01 1.677000E-03 1145 70 1.233000E+00 3.826000E-01 1.738000E-03 1145 71 1.251000E+00 3.890000E-01 1.809000E-03 1145 72 1.269000E+00 3.953000E-01 1.887000E-03 1145 73 1.287000E+00 4.015000E-01 1.969000E-03 1145 74 1.305000E+00 4.077000E-01 2.053000E-03 1145 75 1.323000E+00 4.137000E-01 2.137000E-03 1145 76 1.341000E+00 4.196000E-01 2.218000E-03 1145 77 1.358000E+00 4.254000E-01 2.296000E-03 1145 78 1.376000E+00 4.310000E-01 2.370000E-03 1145 79 1.394000E+00 4.365000E-01 2.437000E-03 1145 80 1.412000E+00 4.418000E-01 2.497000E-03 1145 81 1.430000E+00 4.470000E-01 2.550000E-03 1145 82 1.448000E+00 4.520000E-01 2.595000E-03 1145 83 1.466000E+00 4.569000E-01 2.632000E-03 1145 84 1.484000E+00 4.615000E-01 2.661000E-03 1145 85 1.501000E+00 4.660000E-01 2.681000E-03 1145 86 1.519000E+00 4.703000E-01 2.693000E-03 1145 87 1.537000E+00 4.744000E-01 2.698000E-03 1145 88 1.555000E+00 4.783000E-01 2.695000E-03 1145 89 1.573000E+00 4.820000E-01 2.685000E-03 1145 90 1.591000E+00 4.855000E-01 2.669000E-03 1145 91 1.609000E+00 4.887000E-01 2.647000E-03 1145 92 1.627000E+00 4.918000E-01 2.621000E-03 1145 93 1.644000E+00 4.946000E-01 2.592000E-03 1145 94 1.662000E+00 4.972000E-01 2.561000E-03 1145 95 1.680000E+00 4.995000E-01 2.528000E-03 1145 96 1.698000E+00 5.017000E-01 2.496000E-03 1145 97 1.716000E+00 5.035000E-01 2.465000E-03 1145 98 1.734000E+00 5.052000E-01 2.437000E-03 1145 99 1.752000E+00 5.066000E-01 2.412000E-03 1145 100 1.770000E+00 5.077000E-01 2.392000E-03 1145 101 1.787000E+00 5.086000E-01 2.378000E-03 1145 102 1.805000E+00 5.093000E-01 2.370000E-03 1145 103 1.823000E+00 5.097000E-01 2.369000E-03 1145 104 1.841000E+00 5.099000E-01 2.374000E-03 1145 105 1.859000E+00 5.098000E-01 2.387000E-03 1145 106 1.877000E+00 5.095000E-01 2.405000E-03 1145 107 1.895000E+00 5.089000E-01 2.430000E-03 1145 108 1.913000E+00 5.081000E-01 2.459000E-03 1145 109 1.930000E+00 5.071000E-01 2.493000E-03 1145 110 1.948000E+00 5.058000E-01 2.530000E-03 1145 111 1.966000E+00 5.043000E-01 2.568000E-03 1145 112 1.984000E+00 5.025000E-01 2.608000E-03 1145 113 2.002000E+00 5.005000E-01 2.647000E-03 1145 114 2.020000E+00 4.983000E-01 2.685000E-03 1145 115 2.038000E+00 4.959000E-01 2.721000E-03 1145 116 2.056000E+00 4.932000E-01 2.754000E-03 1145 117 2.073000E+00 4.903000E-01 2.784000E-03 1145 118 2.091000E+00 4.872000E-01 2.810000E-03 1145 119 2.109000E+00 4.840000E-01 2.831000E-03 1145 120 2.127000E+00 4.805000E-01 2.847000E-03 1145 121 2.145000E+00 4.768000E-01 2.858000E-03 1145 122 2.163000E+00 4.729000E-01 2.864000E-03 1145 123 2.181000E+00 4.689000E-01 2.865000E-03 1145 124 2.199000E+00 4.646000E-01 2.861000E-03 1145 125 2.216000E+00 4.602000E-01 2.852000E-03 1145 126 2.234000E+00 4.557000E-01 2.840000E-03 1145 127 2.252000E+00 4.510000E-01 2.824000E-03 1145 128 2.270000E+00 4.461000E-01 2.806000E-03 1145 129 2.288000E+00 4.411000E-01 2.786000E-03 1145 130 2.306000E+00 4.359000E-01 2.765000E-03 1145 131 2.324000E+00 4.306000E-01 2.744000E-03 1145 132 2.341000E+00 4.252000E-01 2.725000E-03 1145 133 2.359000E+00 4.197000E-01 2.708000E-03 1145 134 2.377000E+00 4.140000E-01 2.694000E-03 1145 135 2.395000E+00 4.083000E-01 2.684000E-03 1145 136 2.413000E+00 4.025000E-01 2.680000E-03 1145 137 2.431000E+00 3.965000E-01 2.682000E-03 1145 138 2.449000E+00 3.905000E-01 2.691000E-03 1145 139 2.467000E+00 3.844000E-01 2.707000E-03 1145 140 2.484000E+00 3.783000E-01 2.730000E-03 1145 141 2.502000E+00 3.721000E-01 2.760000E-03 1145 142 2.520000E+00 3.658000E-01 2.798000E-03 1145 143 2.538000E+00 3.595000E-01 2.841000E-03 1145 144 2.556000E+00 3.531000E-01 2.891000E-03 1145 145 2.574000E+00 3.467000E-01 2.945000E-03 1145 146 2.592000E+00 3.403000E-01 3.003000E-03 1145 147 2.610000E+00 3.339000E-01 3.063000E-03 1145 148 2.627000E+00 3.274000E-01 3.126000E-03 1145 149 2.645000E+00 3.209000E-01 3.189000E-03 1145 150 2.663000E+00 3.145000E-01 3.252000E-03 1145 151 2.681000E+00 3.080000E-01 3.314000E-03 1145 152 2.699000E+00 3.015000E-01 3.374000E-03 1145 153 2.717000E+00 2.951000E-01 3.430000E-03 1145 154 2.735000E+00 2.887000E-01 3.483000E-03 1145 155 2.753000E+00 2.823000E-01 3.531000E-03 1145 156 2.770000E+00 2.759000E-01 3.574000E-03 1145 157 2.788000E+00 2.696000E-01 3.612000E-03 1145 158 2.806000E+00 2.633000E-01 3.644000E-03 1145 159 2.824000E+00 2.571000E-01 3.669000E-03 1145 160 2.842000E+00 2.509000E-01 3.689000E-03 1145 161 2.860000E+00 2.448000E-01 3.702000E-03 1145 162 2.878000E+00 2.387000E-01 3.708000E-03 1145 163 2.896000E+00 2.327000E-01 3.709000E-03 1145 164 2.913000E+00 2.268000E-01 3.703000E-03 1145 165 2.931000E+00 2.210000E-01 3.692000E-03 1145 166 2.949000E+00 2.152000E-01 3.676000E-03 1145 167 2.967000E+00 2.095000E-01 3.656000E-03 1145 168 2.985000E+00 2.039000E-01 3.631000E-03 1145 169 3.003000E+00 1.984000E-01 3.604000E-03 1145 170 3.021000E+00 1.929000E-01 3.574000E-03 1145 171 3.039000E+00 1.876000E-01 3.544000E-03 1145 172 3.056000E+00 1.824000E-01 3.512000E-03 1145 173 3.074000E+00 1.772000E-01 3.481000E-03 1145 174 3.092000E+00 1.722000E-01 3.452000E-03 1145 175 3.110000E+00 1.673000E-01 3.425000E-03 1145 176 3.128000E+00 1.624000E-01 3.401000E-03 1145 177 3.146000E+00 1.577000E-01 3.381000E-03 1145 178 3.164000E+00 1.532000E-01 3.366000E-03 1145 179 3.182000E+00 1.487000E-01 3.356000E-03 1145 180 3.199000E+00 1.443000E-01 3.353000E-03 1145 181 3.217000E+00 1.401000E-01 3.355000E-03 1145 182 3.235000E+00 1.360000E-01 3.364000E-03 1145 183 3.253000E+00 1.320000E-01 3.378000E-03 1145 184 3.271000E+00 1.281000E-01 3.399000E-03 1145 185 3.289000E+00 1.244000E-01 3.425000E-03 1145 186 3.307000E+00 1.208000E-01 3.455000E-03 1145 187 3.325000E+00 1.173000E-01 3.490000E-03 1145 188 3.342000E+00 1.139000E-01 3.528000E-03 1145 189 3.360000E+00 1.107000E-01 3.569000E-03 1145 190 3.378000E+00 1.076000E-01 3.611000E-03 1145 191 3.396000E+00 1.046000E-01 3.653000E-03 1145 192 3.414000E+00 1.018000E-01 3.696000E-03 1145 193 3.432000E+00 9.909000E-02 3.737000E-03 1145 194 3.450000E+00 9.651000E-02 3.776000E-03 1145 195 3.468000E+00 9.407000E-02 3.812000E-03 1145 196 3.485000E+00 9.175000E-02 3.845000E-03 1145 197 3.503000E+00 8.956000E-02 3.873000E-03 1145 198 3.521000E+00 8.750000E-02 3.897000E-03 1145 199 3.539000E+00 8.557000E-02 3.915000E-03 1145 200 3.557000E+00 8.375000E-02 3.928000E-03 1145 201 3.575000E+00 8.206000E-02 3.935000E-03 1145 202 3.593000E+00 8.049000E-02 3.935000E-03 1145 203 3.611000E+00 7.904000E-02 3.929000E-03 1145 204 3.628000E+00 7.770000E-02 3.917000E-03 1145 205 3.646000E+00 7.648000E-02 3.898000E-03 1145 206 3.664000E+00 7.536000E-02 3.873000E-03 1145 207 3.682000E+00 7.435000E-02 3.842000E-03 1145 208 3.700000E+00 7.344000E-02 3.806000E-03 1145 209 3.718000E+00 7.263000E-02 3.764000E-03 1145 210 3.736000E+00 7.191000E-02 3.719000E-03 1145 211 3.754000E+00 7.128000E-02 3.669000E-03 1145 212 3.771000E+00 7.073000E-02 3.616000E-03 1145 213 3.789000E+00 7.026000E-02 3.562000E-03 1145 214 3.807000E+00 6.986000E-02 3.506000E-03 1145 215 3.825000E+00 6.953000E-02 3.450000E-03 1145 216 3.843000E+00 6.925000E-02 3.396000E-03 1145 217 3.861000E+00 6.903000E-02 3.344000E-03 1145 218 3.879000E+00 6.886000E-02 3.296000E-03 1145 219 3.897000E+00 6.872000E-02 3.253000E-03 1145 220 3.914000E+00 6.861000E-02 3.216000E-03 1145 221 3.932000E+00 6.852000E-02 3.187000E-03 1145 222 3.950000E+00 6.845000E-02 3.166000E-03 1145 223 3.968000E+00 6.838000E-02 3.155000E-03 1145 224 3.986000E+00 6.831000E-02 3.154000E-03 1145 225 4.004000E+00 6.822000E-02 3.162000E-03 1145 226 4.022000E+00 6.811000E-02 3.181000E-03 1145 227 4.040000E+00 6.796000E-02 3.209000E-03 1145 228 4.057000E+00 6.777000E-02 3.246000E-03 1145 229 4.075000E+00 6.752000E-02 3.290000E-03 1145 230 4.093000E+00 6.720000E-02 3.341000E-03 1145 231 4.111000E+00 6.681000E-02 3.396000E-03 1145 232 4.129000E+00 6.632000E-02 3.454000E-03 1145 233 4.147000E+00 6.573000E-02 3.512000E-03 1145 234 4.165000E+00 6.503000E-02 3.569000E-03 1145 235 4.183000E+00 6.420000E-02 3.621000E-03 1145 236 4.200000E+00 6.323000E-02 3.668000E-03 1145 237 4.218000E+00 6.210000E-02 3.706000E-03 1145 238 4.236000E+00 6.081000E-02 3.733000E-03 1145 239 4.254000E+00 5.934000E-02 3.747000E-03 1145 240 4.272000E+00 5.768000E-02 3.745000E-03 1145 241 4.290000E+00 5.580000E-02 3.725000E-03 1145 242 4.308000E+00 5.371000E-02 3.683000E-03 1145 243 4.326000E+00 5.138000E-02 3.618000E-03 1145 244 4.343000E+00 4.881000E-02 3.527000E-03 1145 245 4.361000E+00 4.597000E-02 3.407000E-03 1145 246 4.379000E+00 4.285000E-02 3.255000E-03 1145 247 4.397000E+00 3.944000E-02 3.069000E-03 1145 248 4.415000E+00 3.572000E-02 2.846000E-03 1145 249 4.433000E+00 3.169000E-02 2.583000E-03 1145 250 4.451000E+00 2.732000E-02 2.277000E-03 1145 251 4.469000E+00 2.261000E-02 1.925000E-03 1145 252 4.486000E+00 1.753000E-02 1.524000E-03 1145 253 4.504000E+00 1.208000E-02 1.072000E-03 1145 254 4.522000E+00 6.242000E-03 5.648000E-04 1145 255 4.540000E+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 1145 1 0.000000E+00 1.344710E+01 1145 2 5.543550E-03 1.344680E+01 1145 3 1.108710E-02 1.344580E+01 1145 4 1.663060E-02 1.344420E+01 1145 5 2.217420E-02 1.344190E+01 1145 6 2.771770E-02 1.343900E+01 1145 7 3.326130E-02 1.343540E+01 1145 8 3.880480E-02 1.343120E+01 1145 9 4.434840E-02 1.342630E+01 1145 10 4.989190E-02 1.342080E+01 1145 11 5.543550E-02 1.341470E+01 1145 12 6.097900E-02 1.340790E+01 1145 13 6.652260E-02 1.340040E+01 1145 14 7.206610E-02 1.339240E+01 1145 15 7.760970E-02 1.338360E+01 1145 16 8.315320E-02 1.337430E+01 1145 17 8.869670E-02 1.336430E+01 1145 18 9.424030E-02 1.335370E+01 1145 19 9.978380E-02 1.334240E+01 1145 20 1.053270E-01 1.333050E+01 1145 21 1.108710E-01 1.331790E+01 1145 22 1.164140E-01 1.330480E+01 1145 23 1.219580E-01 1.329100E+01 1145 24 1.275020E-01 1.327660E+01 1145 25 1.330450E-01 1.326150E+01 1145 26 1.385890E-01 1.324590E+01 1145 27 1.441320E-01 1.322960E+01 1145 28 1.496760E-01 1.321270E+01 1145 29 1.552190E-01 1.319520E+01 1145 30 1.599330E-01 1.317980E+01 1145 31 1.646470E-01 1.316400E+01 1145 32 1.693610E-01 1.314770E+01 1145 33 1.740740E-01 1.313100E+01 1145 34 1.787880E-01 1.311390E+01 1145 35 1.835020E-01 1.309630E+01 1145 36 1.882160E-01 1.307830E+01 1145 37 1.929300E-01 1.305990E+01 1145 38 1.976440E-01 1.304100E+01 1145 39 2.023570E-01 1.302170E+01 1145 40 2.070710E-01 1.300200E+01 1145 41 2.117850E-01 1.298190E+01 1145 42 2.164990E-01 1.296140E+01 1145 43 2.212130E-01 1.294040E+01 1145 44 2.259260E-01 1.291900E+01 1145 45 2.306400E-01 1.289720E+01 1145 46 2.353540E-01 1.287500E+01 1145 47 2.400680E-01 1.285240E+01 1145 48 2.447820E-01 1.282930E+01 1145 49 2.494960E-01 1.280590E+01 1145 50 2.542090E-01 1.278210E+01 1145 51 2.589230E-01 1.275780E+01 1145 52 2.636370E-01 1.273320E+01 1145 53 2.683510E-01 1.270820E+01 1145 54 2.730650E-01 1.268280E+01 1145 55 2.777780E-01 1.265690E+01 1145 56 2.824920E-01 1.263070E+01 1145 57 2.872060E-01 1.260420E+01 1145 58 2.919200E-01 1.257720E+01 1145 59 2.966340E-01 1.254990E+01 1145 60 3.013470E-01 1.252210E+01 1145 61 3.060610E-01 1.249400E+01 1145 62 3.107750E-01 1.246560E+01 1145 63 3.154890E-01 1.243680E+01 1145 64 3.202030E-01 1.240760E+01 1145 65 3.249160E-01 1.237800E+01 1145 66 3.296300E-01 1.234810E+01 1145 67 3.343440E-01 1.231780E+01 1145 68 3.390580E-01 1.228720E+01 1145 69 3.437720E-01 1.225620E+01 1145 70 3.484860E-01 1.222490E+01 1145 71 3.531990E-01 1.219320E+01 1145 72 3.579130E-01 1.216120E+01 1145 73 3.626270E-01 1.212890E+01 1145 74 3.673410E-01 1.209620E+01 1145 75 3.720550E-01 1.206320E+01 1145 76 3.767680E-01 1.202980E+01 1145 77 3.814820E-01 1.199620E+01 1145 78 3.861960E-01 1.196220E+01 1145 79 3.909100E-01 1.192790E+01 1145 80 3.956240E-01 1.189330E+01 1145 81 4.003380E-01 1.185840E+01 1145 82 4.050510E-01 1.182310E+01 1145 83 4.097650E-01 1.178760E+01 1145 84 4.144790E-01 1.175170E+01 1145 85 4.191930E-01 1.171560E+01 1145 86 4.239070E-01 1.167920E+01 1145 87 4.286200E-01 1.164250E+01 1145 88 4.333340E-01 1.160540E+01 1145 89 4.380480E-01 1.156820E+01 1145 90 4.427620E-01 1.153060E+01 1145 91 4.474760E-01 1.149270E+01 1145 92 4.521890E-01 1.145460E+01 1145 93 4.569030E-01 1.141620E+01 1145 94 4.616170E-01 1.137760E+01 1145 95 4.663310E-01 1.133870E+01 1145 96 4.710450E-01 1.129950E+01 1145 97 4.757580E-01 1.126000E+01 1145 98 4.804720E-01 1.122040E+01 1145 99 4.851860E-01 1.118040E+01 1145 100 4.899000E-01 1.114030E+01 1145 101 4.946140E-01 1.109990E+01 1145 102 4.993270E-01 1.105920E+01 1145 103 5.040410E-01 1.101830E+01 1145 104 5.087550E-01 1.097720E+01 1145 105 5.134690E-01 1.093590E+01 1145 106 5.181830E-01 1.089440E+01 1145 107 5.228970E-01 1.085260E+01 1145 108 5.276100E-01 1.081060E+01 1145 109 5.323240E-01 1.076840E+01 1145 110 5.370380E-01 1.072600E+01 1145 111 5.417520E-01 1.068340E+01 1145 112 5.464660E-01 1.064060E+01 1145 113 5.511790E-01 1.059760E+01 1145 114 5.558930E-01 1.055450E+01 1145 115 5.606070E-01 1.051110E+01 1145 116 5.653210E-01 1.046760E+01 1145 117 5.700350E-01 1.042380E+01 1145 118 5.747480E-01 1.037990E+01 1145 119 5.794620E-01 1.033590E+01 1145 120 5.841760E-01 1.029160E+01 1145 121 5.888900E-01 1.024720E+01 1145 122 5.936040E-01 1.020270E+01 1145 123 5.983180E-01 1.015800E+01 1145 124 6.030310E-01 1.011310E+01 1145 125 6.077450E-01 1.006810E+01 1145 126 6.124590E-01 1.002290E+01 1145 127 6.171730E-01 9.977620E+00 1145 128 6.218870E-01 9.932190E+00 1145 129 6.266000E-01 9.886620E+00 1145 130 6.313140E-01 9.840930E+00 1145 131 6.360280E-01 9.795110E+00 1145 132 6.407420E-01 9.749170E+00 1145 133 6.454560E-01 9.703110E+00 1145 134 6.501690E-01 9.656950E+00 1145 135 6.548830E-01 9.610670E+00 1145 136 6.595970E-01 9.564290E+00 1145 137 6.643110E-01 9.517800E+00 1145 138 6.690250E-01 9.471220E+00 1145 139 6.737390E-01 9.424550E+00 1145 140 6.784520E-01 9.377780E+00 1145 141 6.831660E-01 9.330930E+00 1145 142 6.878800E-01 9.283990E+00 1145 143 6.925940E-01 9.236980E+00 1145 144 6.973080E-01 9.189890E+00 1145 145 7.020210E-01 9.142730E+00 1145 146 7.067350E-01 9.095510E+00 1145 147 7.114490E-01 9.048220E+00 1145 148 7.161630E-01 9.000870E+00 1145 149 7.208770E-01 8.953460E+00 1145 150 7.255910E-01 8.906000E+00 1145 151 7.303040E-01 8.858490E+00 1145 152 7.350180E-01 8.810940E+00 1145 153 7.397320E-01 8.763340E+00 1145 154 7.444460E-01 8.715700E+00 1145 155 7.491590E-01 8.668040E+00 1145 156 7.538730E-01 8.620340E+00 1145 157 7.585870E-01 8.572610E+00 1145 158 7.633010E-01 8.524850E+00 1145 159 7.680150E-01 8.477080E+00 1145 160 7.727290E-01 8.429290E+00 1145 161 7.774420E-01 8.381490E+00 1145 162 7.821560E-01 8.333680E+00 1145 163 7.868700E-01 8.285860E+00 1145 164 7.915840E-01 8.238040E+00 1145 165 7.962980E-01 8.190220E+00 1145 166 8.010110E-01 8.142400E+00 1145 167 8.057250E-01 8.094590E+00 1145 168 8.104390E-01 8.046780E+00 1145 169 8.151530E-01 7.999000E+00 1145 170 8.198670E-01 7.951230E+00 1145 171 8.245810E-01 7.903480E+00 1145 172 8.292940E-01 7.855750E+00 1145 173 8.340080E-01 7.808050E+00 1145 174 8.387220E-01 7.760390E+00 1145 175 8.434360E-01 7.712750E+00 1145 176 8.481500E-01 7.665150E+00 1145 177 8.528630E-01 7.617590E+00 1145 178 8.575770E-01 7.570070E+00 1145 179 8.622910E-01 7.522600E+00 1145 180 8.670050E-01 7.475180E+00 1145 181 8.717190E-01 7.427810E+00 1145 182 8.764320E-01 7.380490E+00 1145 183 8.811460E-01 7.333230E+00 1145 184 8.858600E-01 7.286040E+00 1145 185 8.905740E-01 7.238900E+00 1145 186 8.952880E-01 7.191840E+00 1145 187 9.000020E-01 7.144840E+00 1145 188 9.047150E-01 7.097920E+00 1145 189 9.094290E-01 7.051070E+00 1145 190 9.141430E-01 7.004300E+00 1145 191 9.188570E-01 6.957610E+00 1145 192 9.235710E-01 6.911000E+00 1145 193 9.282840E-01 6.864480E+00 1145 194 9.329980E-01 6.818050E+00 1145 195 9.377120E-01 6.771710E+00 1145 196 9.424260E-01 6.725460E+00 1145 197 9.471400E-01 6.679310E+00 1145 198 9.518530E-01 6.633260E+00 1145 199 9.565670E-01 6.587320E+00 1145 200 9.612810E-01 6.541470E+00 1145 201 9.659950E-01 6.495740E+00 1145 202 9.707090E-01 6.450110E+00 1145 203 9.754220E-01 6.404590E+00 1145 204 9.801360E-01 6.359190E+00 1145 205 9.848500E-01 6.313910E+00 1145 206 9.895640E-01 6.268740E+00 1145 207 9.942780E-01 6.223700E+00 1145 208 9.989920E-01 6.178780E+00 1145 209 1.003710E+00 6.133990E+00 1145 210 1.008420E+00 6.089320E+00 1145 211 1.013130E+00 6.044780E+00 1145 212 1.017850E+00 6.000370E+00 1145 213 1.022560E+00 5.956100E+00 1145 214 1.027270E+00 5.911970E+00 1145 215 1.031990E+00 5.867980E+00 1145 216 1.036700E+00 5.824120E+00 1145 217 1.041420E+00 5.780400E+00 1145 218 1.046130E+00 5.736830E+00 1145 219 1.050840E+00 5.693410E+00 1145 220 1.055560E+00 5.650140E+00 1145 221 1.060270E+00 5.607020E+00 1145 222 1.064990E+00 5.564040E+00 1145 223 1.069700E+00 5.521220E+00 1145 224 1.074410E+00 5.478560E+00 1145 225 1.079130E+00 5.436060E+00 1145 226 1.083840E+00 5.393710E+00 1145 227 1.088550E+00 5.351520E+00 1145 228 1.093270E+00 5.309490E+00 1145 229 1.097980E+00 5.267630E+00 1145 230 1.102690E+00 5.225940E+00 1145 231 1.107410E+00 5.184410E+00 1145 232 1.112120E+00 5.143050E+00 1145 233 1.116840E+00 5.101860E+00 1145 234 1.121550E+00 5.060830E+00 1145 235 1.126270E+00 5.019980E+00 1145 236 1.130980E+00 4.979320E+00 1145 237 1.135690E+00 4.938820E+00 1145 238 1.140410E+00 4.898500E+00 1145 239 1.145120E+00 4.858350E+00 1145 240 1.149830E+00 4.818390E+00 1145 241 1.154550E+00 4.778610E+00 1145 242 1.159260E+00 4.739010E+00 1145 243 1.163970E+00 4.699580E+00 1145 244 1.168690E+00 4.660350E+00 1145 245 1.173400E+00 4.621300E+00 1145 246 1.178120E+00 4.582440E+00 1145 247 1.182830E+00 4.543760E+00 1145 248 1.187540E+00 4.505270E+00 1145 249 1.192260E+00 4.466970E+00 1145 250 1.196970E+00 4.428860E+00 1145 251 1.201680E+00 4.390940E+00 1145 252 1.206400E+00 4.353210E+00 1145 253 1.211110E+00 4.315680E+00 1145 254 1.215830E+00 4.278340E+00 1145 255 1.220540E+00 4.241190E+00 1145 256 1.225250E+00 4.204240E+00 1145 257 1.229970E+00 4.167490E+00 1145 258 1.234680E+00 4.130920E+00 1145 259 1.239400E+00 4.094560E+00 1145 260 1.244110E+00 4.058390E+00 1145 261 1.248820E+00 4.022430E+00 1145 262 1.253540E+00 3.986670E+00 1145 263 1.258250E+00 3.951100E+00 1145 264 1.262960E+00 3.915730E+00 1145 265 1.267680E+00 3.880560E+00 1145 266 1.272390E+00 3.845590E+00 1145 267 1.277110E+00 3.810840E+00 1145 268 1.281820E+00 3.776270E+00 1145 269 1.286530E+00 3.741910E+00 1145 270 1.291250E+00 3.707750E+00 1145 271 1.295960E+00 3.673800E+00 1145 272 1.300680E+00 3.640050E+00 1145 273 1.305390E+00 3.606510E+00 1145 274 1.310100E+00 3.573170E+00 1145 275 1.314820E+00 3.540030E+00 1145 276 1.319530E+00 3.507090E+00 1145 277 1.324240E+00 3.474360E+00 1145 278 1.328960E+00 3.441840E+00 1145 279 1.333670E+00 3.409520E+00 1145 280 1.338390E+00 3.377410E+00 1145 281 1.343100E+00 3.345500E+00 1145 282 1.347810E+00 3.313790E+00 1145 283 1.352530E+00 3.282300E+00 1145 284 1.357240E+00 3.251010E+00 1145 285 1.361960E+00 3.219920E+00 1145 286 1.366670E+00 3.189040E+00 1145 287 1.371380E+00 3.158360E+00 1145 288 1.376100E+00 3.127890E+00 1145 289 1.380810E+00 3.097630E+00 1145 290 1.385520E+00 3.067570E+00 1145 291 1.390240E+00 3.037710E+00 1145 292 1.394950E+00 3.008060E+00 1145 293 1.399670E+00 2.978610E+00 1145 294 1.404380E+00 2.949370E+00 1145 295 1.409090E+00 2.920330E+00 1145 296 1.413810E+00 2.891500E+00 1145 297 1.418520E+00 2.862870E+00 1145 298 1.423240E+00 2.834440E+00 1145 299 1.427950E+00 2.806220E+00 1145 300 1.432660E+00 2.778200E+00 1145 301 1.437380E+00 2.750380E+00 1145 302 1.442090E+00 2.722760E+00 1145 303 1.446800E+00 2.695350E+00 1145 304 1.451520E+00 2.668130E+00 1145 305 1.456230E+00 2.641130E+00 1145 306 1.460940E+00 2.614310E+00 1145 307 1.465660E+00 2.587700E+00 1145 308 1.470370E+00 2.561290E+00 1145 309 1.475090E+00 2.535080E+00 1145 310 1.479800E+00 2.509070E+00 1145 311 1.484510E+00 2.483250E+00 1145 312 1.489230E+00 2.457630E+00 1145 313 1.493940E+00 2.432210E+00 1145 314 1.498660E+00 2.406990E+00 1145 315 1.503370E+00 2.381970E+00 1145 316 1.508080E+00 2.357130E+00 1145 317 1.512800E+00 2.332490E+00 1145 318 1.517510E+00 2.308050E+00 1145 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1003 4.746470E+00 1.180050E-01 1145 1004 4.751190E+00 1.179470E-01 1145 1005 4.755900E+00 1.178870E-01 1145 1006 4.760610E+00 1.178240E-01 1145 1007 4.765330E+00 1.177600E-01 1145 1008 4.770040E+00 1.176940E-01 1145 1009 4.774750E+00 1.176250E-01 1145 1010 4.779470E+00 1.175540E-01 1145 1011 4.784180E+00 1.174800E-01 1145 1012 4.788900E+00 1.174040E-01 1145 1013 4.793610E+00 1.173260E-01 1145 1014 4.798320E+00 1.172460E-01 1145 1015 4.803040E+00 1.171630E-01 1145 1016 4.807750E+00 1.170770E-01 1145 1017 4.812470E+00 1.169890E-01 1145 1018 4.817180E+00 1.168980E-01 1145 1019 4.821890E+00 1.168050E-01 1145 1020 4.826610E+00 1.167090E-01 1145 1021 4.831320E+00 1.166100E-01 1145 1022 4.836030E+00 1.165090E-01 1145 1023 4.840750E+00 1.164050E-01 1145 1024 4.845460E+00 1.162980E-01 1145 1025 4.850180E+00 1.161880E-01 1145 1026 4.854890E+00 1.160750E-01 1145 1027 4.859600E+00 1.159600E-01 1145 1028 4.864320E+00 1.158410E-01 1145 1029 4.869030E+00 1.157200E-01 1145 1030 4.873750E+00 1.155960E-01 1145 1031 4.878460E+00 1.154690E-01 1145 1032 4.883170E+00 1.153390E-01 1145 1033 4.887890E+00 1.152060E-01 1145 1034 4.892600E+00 1.150700E-01 1145 1035 4.897310E+00 1.149310E-01 1145 1036 4.902030E+00 1.147890E-01 1145 1037 4.906740E+00 1.146440E-01 1145 1038 4.911460E+00 1.144960E-01 1145 1039 4.916170E+00 1.143450E-01 1145 1040 4.920880E+00 1.141910E-01 1145 1041 4.925600E+00 1.140340E-01 1145 1042 4.930310E+00 1.138740E-01 1145 1043 4.935020E+00 1.137110E-01 1145 1044 4.939740E+00 1.135450E-01 1145 1045 4.944450E+00 1.133750E-01 # data_SASDES5_FIT_1785 # _sas_model_fitting_details.id 1785 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 1.399 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 1145 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 1785 1 0.000000E+00 0.000000E+00 1.313300E+01 1785 2 2.000000E-03 0.000000E+00 1.312930E+01 1785 3 3.266020E-03 5.358800E+00 1.312310E+01 1785 4 3.737400E-03 3.200000E-02 1.312000E+01 1785 5 4.208780E-03 3.859000E+00 1.311650E+01 1785 6 4.680160E-03 7.759300E+00 1.311260E+01 1785 7 5.151540E-03 8.943000E+00 1.310820E+01 1785 8 5.622920E-03 1.028040E+01 1.310350E+01 1785 9 6.094300E-03 1.068800E+01 1.309840E+01 1785 10 6.565680E-03 9.442100E+00 1.309280E+01 1785 11 7.037060E-03 1.008450E+01 1.308680E+01 1785 12 7.508440E-03 1.150050E+01 1.308050E+01 1785 13 7.979830E-03 1.223240E+01 1.307370E+01 1785 14 8.451210E-03 1.258070E+01 1.306650E+01 1785 15 8.922590E-03 1.207480E+01 1.305890E+01 1785 16 9.393970E-03 1.252770E+01 1.305080E+01 1785 17 9.865350E-03 1.273770E+01 1.304240E+01 1785 18 1.033670E-02 1.246320E+01 1.303360E+01 1785 19 1.080810E-02 1.290110E+01 1.302440E+01 1785 20 1.127950E-02 1.293680E+01 1.301470E+01 1785 21 1.175090E-02 1.292720E+01 1.300470E+01 1785 22 1.222230E-02 1.294870E+01 1.299430E+01 1785 23 1.269360E-02 1.314380E+01 1.298340E+01 1785 24 1.316500E-02 1.339120E+01 1.297220E+01 1785 25 1.363640E-02 1.306270E+01 1.296050E+01 1785 26 1.410780E-02 1.256270E+01 1.294850E+01 1785 27 1.457920E-02 1.277160E+01 1.293600E+01 1785 28 1.505050E-02 1.298860E+01 1.292320E+01 1785 29 1.552190E-02 1.319840E+01 1.291000E+01 1785 30 1.599330E-02 1.285820E+01 1.289630E+01 1785 31 1.646470E-02 1.303050E+01 1.288230E+01 1785 32 1.693610E-02 1.324220E+01 1.286790E+01 1785 33 1.740750E-02 1.308020E+01 1.285310E+01 1785 34 1.787880E-02 1.309310E+01 1.283790E+01 1785 35 1.835020E-02 1.318700E+01 1.282230E+01 1785 36 1.882160E-02 1.299800E+01 1.280630E+01 1785 37 1.929300E-02 1.312750E+01 1.278990E+01 1785 38 1.976440E-02 1.291340E+01 1.277320E+01 1785 39 2.023570E-02 1.310300E+01 1.275600E+01 1785 40 2.070710E-02 1.292320E+01 1.273850E+01 1785 41 2.117850E-02 1.296070E+01 1.272060E+01 1785 42 2.164990E-02 1.310900E+01 1.270230E+01 1785 43 2.212130E-02 1.310470E+01 1.268370E+01 1785 44 2.259260E-02 1.268280E+01 1.266470E+01 1785 45 2.306400E-02 1.307280E+01 1.264520E+01 1785 46 2.353540E-02 1.280270E+01 1.262550E+01 1785 47 2.400680E-02 1.280780E+01 1.260530E+01 1785 48 2.447820E-02 1.278280E+01 1.258480E+01 1785 49 2.494960E-02 1.282570E+01 1.256390E+01 1785 50 2.542090E-02 1.264470E+01 1.254270E+01 1785 51 2.589230E-02 1.282950E+01 1.252100E+01 1785 52 2.636370E-02 1.275230E+01 1.249910E+01 1785 53 2.683510E-02 1.281970E+01 1.247670E+01 1785 54 2.730650E-02 1.284780E+01 1.245400E+01 1785 55 2.777780E-02 1.272940E+01 1.243100E+01 1785 56 2.824920E-02 1.264180E+01 1.240760E+01 1785 57 2.872060E-02 1.256560E+01 1.238380E+01 1785 58 2.919200E-02 1.280790E+01 1.235970E+01 1785 59 2.966340E-02 1.259330E+01 1.233530E+01 1785 60 3.013470E-02 1.271090E+01 1.231050E+01 1785 61 3.060610E-02 1.245870E+01 1.228530E+01 1785 62 3.107750E-02 1.248570E+01 1.225980E+01 1785 63 3.154890E-02 1.233410E+01 1.223400E+01 1785 64 3.202030E-02 1.255600E+01 1.220790E+01 1785 65 3.249170E-02 1.221350E+01 1.218140E+01 1785 66 3.296300E-02 1.230370E+01 1.215460E+01 1785 67 3.343440E-02 1.232060E+01 1.212740E+01 1785 68 3.390580E-02 1.255940E+01 1.209990E+01 1785 69 3.437720E-02 1.225690E+01 1.207210E+01 1785 70 3.484850E-02 1.217010E+01 1.204400E+01 1785 71 3.531990E-02 1.235890E+01 1.201550E+01 1785 72 3.579130E-02 1.227730E+01 1.198680E+01 1785 73 3.626270E-02 1.217900E+01 1.195770E+01 1785 74 3.673410E-02 1.216440E+01 1.192830E+01 1785 75 3.720550E-02 1.203840E+01 1.189860E+01 1785 76 3.767680E-02 1.209790E+01 1.186850E+01 1785 77 3.814820E-02 1.194620E+01 1.183820E+01 1785 78 3.861960E-02 1.203790E+01 1.180760E+01 1785 79 3.909100E-02 1.197370E+01 1.177670E+01 1785 80 3.956240E-02 1.197200E+01 1.174540E+01 1785 81 4.003380E-02 1.197090E+01 1.171390E+01 1785 82 4.050510E-02 1.192800E+01 1.168210E+01 1785 83 4.097650E-02 1.220800E+01 1.165000E+01 1785 84 4.144790E-02 1.179090E+01 1.161760E+01 1785 85 4.191930E-02 1.183740E+01 1.158490E+01 1785 86 4.239070E-02 1.175710E+01 1.155200E+01 1785 87 4.286200E-02 1.181730E+01 1.151870E+01 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109 5.323240E-02 1.067690E+01 1.072230E+01 1785 110 5.370380E-02 1.050550E+01 1.068340E+01 1785 111 5.417520E-02 1.077000E+01 1.064430E+01 1785 112 5.464660E-02 1.050840E+01 1.060500E+01 1785 113 5.511790E-02 1.052010E+01 1.056550E+01 1785 114 5.558930E-02 1.053840E+01 1.052580E+01 1785 115 5.606070E-02 1.052570E+01 1.048590E+01 1785 116 5.653210E-02 1.048350E+01 1.044570E+01 1785 117 5.700350E-02 1.043310E+01 1.040550E+01 1785 118 5.747490E-02 1.052980E+01 1.036500E+01 1785 119 5.794620E-02 1.034040E+01 1.032430E+01 1785 120 5.841760E-02 1.042830E+01 1.028340E+01 1785 121 5.888900E-02 1.044170E+01 1.024240E+01 1785 122 5.936040E-02 1.014690E+01 1.020120E+01 1785 123 5.983180E-02 1.016730E+01 1.015980E+01 1785 124 6.030310E-02 1.001260E+01 1.011830E+01 1785 125 6.077450E-02 1.012000E+01 1.007660E+01 1785 126 6.124590E-02 9.962420E+00 1.003470E+01 1785 127 6.171730E-02 9.881270E+00 9.992650E+00 1785 128 6.218870E-02 9.770180E+00 9.950450E+00 1785 129 6.266000E-02 9.872620E+00 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4.737040E-01 2.096400E-01 7.530680E-02 1785 1002 4.741760E-01 2.050500E-01 7.501870E-02 1785 1003 4.746470E-01 1.913100E-01 7.473300E-02 1785 1004 4.751190E-01 -1.815000E-02 7.444980E-02 1785 1005 4.755900E-01 1.319100E-01 7.416890E-02 1785 1006 4.760610E-01 1.157600E-01 7.389050E-02 1785 1007 4.765330E-01 2.763900E-01 7.361440E-02 1785 1008 4.770040E-01 2.082200E-01 7.334080E-02 1785 1009 4.774750E-01 -4.866000E-02 7.306950E-02 1785 1010 4.779470E-01 4.851000E-02 7.280060E-02 1785 1011 4.784180E-01 1.550900E-01 7.253420E-02 1785 1012 4.788900E-01 -2.255800E-01 7.227010E-02 1785 1013 4.793610E-01 5.925000E-02 7.200840E-02 1785 1014 4.798320E-01 -9.873000E-02 7.174910E-02 1785 1015 4.803040E-01 2.637400E-01 7.149220E-02 1785 1016 4.807750E-01 3.453500E-01 7.123770E-02 1785 1017 4.812470E-01 1.717100E-01 7.098550E-02 1785 1018 4.817180E-01 6.052000E-02 7.073570E-02 1785 1019 4.821890E-01 2.579400E-01 7.048830E-02 1785 1020 4.826610E-01 -5.406000E-02 7.024320E-02 1785 1021 4.831320E-01 4.192400E-01 7.000060E-02 1785 1022 4.836030E-01 2.043500E-01 6.976030E-02 1785 1023 4.840750E-01 3.660200E-01 6.952240E-02 1785 1024 4.845460E-01 -1.254000E-02 6.928690E-02 1785 1025 4.850180E-01 3.492500E-01 6.905380E-02 1785 1026 4.854890E-01 4.299800E-01 6.882300E-02 1785 1027 4.859600E-01 -2.186900E-01 6.859460E-02 1785 1028 4.864320E-01 3.935300E-01 6.836860E-02 1785 1029 4.869030E-01 1.919700E-01 6.814500E-02 1785 1030 4.873750E-01 -1.768000E-02 6.792370E-02 1785 1031 4.878460E-01 2.474500E-01 6.770490E-02 1785 1032 4.883170E-01 8.505700E-01 6.748840E-02 1785 1033 4.887890E-01 6.868300E-01 6.727430E-02 1785 1034 4.892600E-01 -4.054600E-01 6.706250E-02 1785 1035 4.897310E-01 3.150300E-01 6.685320E-02 1785 1036 4.902030E-01 -5.015000E-01 6.664620E-02 1785 1037 4.906740E-01 -1.050800E-01 6.644150E-02 1785 1038 4.911460E-01 5.513500E-01 6.623930E-02 1785 1039 4.916170E-01 7.601400E-01 6.603930E-02 1785 1040 4.920880E-01 1.760600E-01 6.584160E-02 1785 1041 4.925600E-01 4.915100E-01 6.564620E-02 1785 1042 4.930310E-01 -4.884100E-01 6.545310E-02 1785 1043 4.935020E-01 -2.788900E-01 6.526220E-02 1785 1044 4.939740E-01 -3.140300E+00 6.507350E-02 1785 1045 4.944450E-01 -9.733800E-01 6.488690E-02 # data_SASDES5_MODEL_2450 # _sas_model.id 2450 _sas_model.type_of_model atomic _sas_model.version . _sas_model.symmetry . _sas_model.comment "Model generated from PDB file by selecting only chain A" _sas_model.fitting_id 1785 _sas_model.radius . # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . GLY A 2450 383 . 33.707 46.018 7.804 1.00 78.79 ? ? ? ? ? . 383 GLY A N 2450 ATOM 2 C CA . GLY A 2450 383 . 33.914 44.985 8.830 1.00 69.72 ? ? ? ? ? . 383 GLY A CA 2450 ATOM 3 C C . GLY A 2450 383 . 33.510 43.622 8.311 1.00 64.66 ? ? ? ? ? . 383 GLY A C 2450 ATOM 4 O O . GLY A 2450 383 . 33.202 43.420 7.162 1.00 62.43 ? ? ? ? ? . 383 GLY A O 2450 ATOM 5 N N . PHE A 2450 384 . 33.505 42.655 9.209 1.00 54.85 ? ? ? ? ? . 384 PHE A N 2450 ATOM 6 C CA . PHE A 2450 384 . 33.205 41.292 8.888 1.00 57.80 ? ? ? ? ? . 384 PHE A CA 2450 ATOM 7 C C . PHE A 2450 384 . 31.879 40.923 9.507 1.00 46.84 ? ? ? ? ? . 384 PHE A C 2450 ATOM 8 O O . PHE A 2450 384 . 31.703 41.193 10.705 1.00 45.93 ? ? ? ? ? . 384 PHE A O 2450 ATOM 9 C CB . PHE A 2450 384 . 34.223 40.380 9.583 1.00 58.08 ? ? ? ? ? . 384 PHE A CB 2450 ATOM 10 C CG . PHE A 2450 384 . 35.600 40.497 9.001 1.00 64.46 ? ? ? ? ? . 384 PHE A CG 2450 ATOM 11 C CD1 . PHE A 2450 384 . 35.839 40.101 7.708 1.00 71.02 ? ? ? ? ? . 384 PHE A CD1 2450 ATOM 12 C CD2 . PHE A 2450 384 . 36.655 40.948 9.771 1.00 71.44 ? ? ? ? ? . 384 PHE A CD2 2450 ATOM 13 C CE1 . PHE A 2450 384 . 37.115 40.187 7.161 1.00 78.40 ? ? ? ? ? . 384 PHE A CE1 2450 ATOM 14 C CE2 . PHE A 2450 384 . 37.930 41.031 9.233 1.00 76.62 ? ? ? ? ? . 384 PHE A CE2 2450 ATOM 15 C CZ . PHE A 2450 384 . 38.158 40.646 7.928 1.00 78.29 ? ? ? ? ? . 384 PHE A CZ 2450 ATOM 16 N N . PRO A 2450 385 . 30.970 40.234 8.807 1.00 43.05 ? ? ? ? ? . 385 PRO A N 2450 ATOM 17 C CA . PRO A 2450 385 . 29.894 39.551 9.540 1.00 41.33 ? ? ? ? ? . 385 PRO A CA 2450 ATOM 18 C C . PRO A 2450 385 . 30.495 38.463 10.450 1.00 36.21 ? ? ? ? ? . 385 PRO A C 2450 ATOM 19 O O . PRO A 2450 385 . 31.374 37.669 10.000 1.00 39.52 ? ? ? ? ? . 385 PRO A O 2450 ATOM 20 C CB . PRO A 2450 385 . 29.002 38.981 8.408 1.00 43.97 ? ? ? ? ? . 385 PRO A CB 2450 ATOM 21 C CG . PRO A 2450 385 . 29.433 39.762 7.147 1.00 45.35 ? ? ? ? ? . 385 PRO A CG 2450 ATOM 22 C CD . PRO A 2450 385 . 30.916 40.001 7.358 1.00 43.15 ? ? ? ? ? . 385 PRO A CD 2450 ATOM 23 N N . ILE A 2450 386 . 29.903 38.302 11.654 1.00 38.52 ? ? ? ? ? . 386 ILE A N 2450 ATOM 24 C CA . ILE A 2450 386 . 30.307 37.333 12.643 1.00 38.08 ? ? ? ? ? . 386 ILE A CA 2450 ATOM 25 C C . ILE A 2450 386 . 29.082 36.721 13.304 1.00 35.17 ? ? ? ? ? . 386 ILE A C 2450 ATOM 26 O O . ILE A 2450 386 . 27.966 37.386 13.418 1.00 39.72 ? ? ? ? ? . 386 ILE A O 2450 ATOM 27 C CB . ILE A 2450 386 . 31.264 37.969 13.679 1.00 39.33 ? ? ? ? ? . 386 ILE A CB 2450 ATOM 28 C CG1 . ILE A 2450 386 . 30.641 39.074 14.477 1.00 45.15 ? ? ? ? ? . 386 ILE A CG1 2450 ATOM 29 C CG2 . ILE A 2450 386 . 32.515 38.475 13.016 1.00 45.82 ? ? ? ? ? . 386 ILE A CG2 2450 ATOM 30 C CD1 . ILE A 2450 386 . 31.544 39.509 15.613 1.00 48.14 ? ? ? ? ? . 386 ILE A CD1 2450 ATOM 31 N N . ARG A 2450 387 . 29.220 35.452 13.674 1.00 35.72 ? ? ? ? ? . 387 ARG A N 2450 ATOM 32 C CA . ARG A 2450 387 . 28.174 34.751 14.425 1.00 38.43 ? ? ? ? ? . 387 ARG A CA 2450 ATOM 33 C C . ARG A 2450 387 . 28.824 33.767 15.364 1.00 40.34 ? ? ? ? ? . 387 ARG A C 2450 ATOM 34 O O . ARG A 2450 387 . 29.912 33.332 15.145 1.00 37.42 ? ? ? ? ? . 387 ARG A O 2450 ATOM 35 C CB . ARG A 2450 387 . 27.198 34.051 13.465 1.00 39.26 ? ? ? ? ? . 387 ARG A CB 2450 ATOM 36 C CG . ARG A 2450 387 . 27.768 32.903 12.647 1.00 40.85 ? ? ? ? ? . 387 ARG A CG 2450 ATOM 37 C CD . ARG A 2450 387 . 26.779 32.331 11.644 1.00 46.01 ? ? ? ? ? . 387 ARG A CD 2450 ATOM 38 N NE . ARG A 2450 387 . 27.409 31.169 11.018 1.00 48.26 ? ? ? ? ? . 387 ARG A NE 2450 ATOM 39 C CZ . ARG A 2450 387 . 26.973 30.576 9.945 1.00 53.22 ? ? ? ? ? . 387 ARG A CZ 2450 ATOM 40 N NH1 . ARG A 2450 387 . 25.891 31.055 9.353 1.00 52.83 ? ? ? ? ? 1+ 387 ARG A NH1 2450 ATOM 41 N NH2 . ARG A 2450 387 . 27.604 29.511 9.490 1.00 48.16 ? ? ? ? ? . 387 ARG A NH2 2450 ATOM 42 N N . LEU A 2450 388 . 28.101 33.393 16.421 1.00 34.36 ? ? ? ? ? . 388 LEU A N 2450 ATOM 43 C CA . LEU A 2450 388 . 28.486 32.336 17.326 1.00 37.19 ? ? ? ? ? . 388 LEU A CA 2450 ATOM 44 C C . LEU A 2450 388 . 27.588 31.093 17.111 1.00 41.22 ? ? ? ? ? . 388 LEU A C 2450 ATOM 45 O O . LEU A 2450 388 . 26.363 31.269 16.874 1.00 41.53 ? ? ? ? ? . 388 LEU A O 2450 ATOM 46 C CB . LEU A 2450 388 . 28.324 32.772 18.792 1.00 37.58 ? ? ? ? ? . 388 LEU A CB 2450 ATOM 47 C CG . LEU A 2450 388 . 29.124 34.027 19.141 1.00 39.67 ? ? ? ? ? . 388 LEU A CG 2450 ATOM 48 C CD1 . LEU A 2450 388 . 28.960 34.296 20.632 1.00 39.76 ? ? ? ? ? . 388 LEU A CD1 2450 ATOM 49 C CD2 . LEU A 2450 388 . 30.604 33.933 18.720 1.00 40.60 ? ? ? ? ? . 388 LEU A CD2 2450 ATOM 50 N N . VAL A 2450 389 . 28.211 29.918 17.016 1.00 38.53 ? ? ? ? ? . 389 VAL A N 2450 ATOM 51 C CA . VAL A 2450 389 . 27.499 28.683 16.685 1.00 38.40 ? ? ? ? ? . 389 VAL A CA 2450 ATOM 52 C C . VAL A 2450 389 . 27.789 27.610 17.733 1.00 38.93 ? ? ? ? ? . 389 VAL A C 2450 ATOM 53 O O . VAL A 2450 389 . 28.870 27.526 18.299 1.00 40.05 ? ? ? ? ? . 389 VAL A O 2450 ATOM 54 C CB . VAL A 2450 389 . 27.981 28.199 15.290 1.00 44.68 ? ? ? ? ? . 389 VAL A CB 2450 ATOM 55 C CG1 . VAL A 2450 389 . 27.168 26.980 14.802 1.00 53.65 ? ? ? ? ? . 389 VAL A CG1 2450 ATOM 56 C CG2 . VAL A 2450 389 . 27.865 29.328 14.268 1.00 49.23 ? ? ? ? ? . 389 VAL A CG2 2450 ATOM 57 N N . ASP A 2450 390 . 26.771 26.772 18.023 1.00 41.83 ? ? ? ? ? . 390 ASP A N 2450 ATOM 58 C CA . ASP A 2450 390 . 26.941 25.548 18.812 1.00 46.17 ? ? ? ? ? . 390 ASP A CA 2450 ATOM 59 C C . ASP A 2450 390 . 27.157 25.802 20.316 1.00 46.21 ? ? ? ? ? . 390 ASP A C 2450 ATOM 60 O O . ASP A 2450 390 . 27.549 24.857 21.013 1.00 44.80 ? ? ? ? ? . 390 ASP A O 2450 ATOM 61 C CB . ASP A 2450 390 . 28.055 24.649 18.281 1.00 42.17 ? ? ? ? ? . 390 ASP A CB 2450 ATOM 62 C CG . ASP A 2450 390 . 27.714 23.909 17.019 1.00 54.25 ? ? ? ? ? . 390 ASP A CG 2450 ATOM 63 O OD1 . ASP A 2450 390 . 26.529 23.702 16.766 1.00 53.66 ? ? ? ? ? . 390 ASP A OD1 2450 ATOM 64 O OD2 . ASP A 2450 390 . 28.621 23.515 16.321 1.00 51.14 ? ? ? ? ? 1- 390 ASP A OD2 2450 ATOM 65 N N . GLY A 2450 391 . 26.844 26.990 20.787 1.00 42.88 ? ? ? ? ? . 391 GLY A N 2450 ATOM 66 C CA . GLY A 2450 391 . 26.808 27.337 22.204 1.00 42.62 ? ? ? ? ? . 391 GLY A CA 2450 ATOM 67 C C . GLY A 2450 391 . 25.510 26.892 22.844 1.00 49.49 ? ? ? ? ? . 391 GLY A C 2450 ATOM 68 O O . GLY A 2450 391 . 24.586 26.577 22.181 1.00 46.41 ? ? ? ? ? . 391 GLY A O 2450 ATOM 69 N N . GLU A 2450 392 . 25.466 26.940 24.166 1.00 49.47 ? ? ? ? ? . 392 GLU A N 2450 ATOM 70 C CA . GLU A 2450 392 . 24.188 26.586 24.908 1.00 54.76 ? ? ? ? ? . 392 GLU A CA 2450 ATOM 71 C C . GLU A 2450 392 . 23.201 27.741 24.821 1.00 54.50 ? ? ? ? ? . 392 GLU A C 2450 ATOM 72 O O . GLU A 2450 392 . 22.065 27.581 25.123 1.00 55.28 ? ? ? ? ? . 392 GLU A O 2450 ATOM 73 C CB . GLU A 2450 392 . 24.534 26.205 26.343 1.00 59.22 ? ? ? ? ? . 392 GLU A CB 2450 ATOM 74 C CG . GLU A 2450 392 . 25.336 24.919 26.400 1.00 66.63 ? ? ? ? ? . 392 GLU A CG 2450 ATOM 75 C CD . GLU A 2450 392 . 24.917 23.967 27.517 1.00 88.58 ? ? ? ? ? . 392 GLU A CD 2450 ATOM 76 O OE1 . GLU A 2450 392 . 24.009 24.339 28.314 1.00 103.16 ? ? ? ? ? . 392 GLU A OE1 2450 ATOM 77 O OE2 . GLU A 2450 392 . 25.488 22.846 27.587 1.00 105.47 ? ? ? ? ? 1- 392 GLU A OE2 2450 ATOM 78 N N . ASN A 2450 393 . 23.650 28.952 24.532 1.00 45.34 ? ? ? ? ? . 393 ASN A N 2450 ATOM 79 C CA . ASN A 2450 393 . 22.809 30.133 24.373 1.00 50.84 ? ? ? ? ? . 393 ASN A CA 2450 ATOM 80 C C . ASN A 2450 393 . 23.495 31.066 23.358 1.00 49.15 ? ? ? ? ? . 393 ASN A C 2450 ATOM 81 O O . ASN A 2450 393 . 24.608 30.791 22.902 1.00 45.15 ? ? ? ? ? . 393 ASN A O 2450 ATOM 82 C CB . ASN A 2450 393 . 22.551 30.847 25.710 1.00 53.90 ? ? ? ? ? . 393 ASN A CB 2450 ATOM 83 C CG . ASN A 2450 393 . 23.877 31.159 26.379 1.00 60.42 ? ? ? ? ? . 393 ASN A CG 2450 ATOM 84 N ND2 . ASN A 2450 393 . 24.197 30.454 27.446 1.00 61.75 ? ? ? ? ? . 393 ASN A ND2 2450 ATOM 85 O OD1 . ASN A 2450 393 . 24.617 32.025 25.951 1.00 53.61 ? ? ? ? ? . 393 ASN A OD1 2450 ATOM 86 N N . LYS A 2450 394 . 22.861 32.197 23.036 1.00 46.33 ? ? ? ? ? . 394 LYS A N 2450 ATOM 87 C CA . LYS A 2450 394 . 23.312 33.009 21.899 1.00 51.21 ? ? ? ? ? . 394 LYS A CA 2450 ATOM 88 C C . LYS A 2450 394 . 24.540 33.825 22.297 1.00 51.03 ? ? ? ? ? . 394 LYS A C 2450 ATOM 89 O O . LYS A 2450 394 . 25.174 34.361 21.422 1.00 48.29 ? ? ? ? ? . 394 LYS A O 2450 ATOM 90 C CB . LYS A 2450 394 . 22.196 33.931 21.404 1.00 60.75 ? ? ? ? ? . 394 LYS A CB 2450 ATOM 91 C CG . LYS A 2450 394 . 21.697 34.931 22.423 1.00 72.36 ? ? ? ? ? . 394 LYS A CG 2450 ATOM 92 C CD . LYS A 2450 394 . 20.499 35.769 21.913 1.00 82.64 ? ? ? ? ? . 394 LYS A CD 2450 ATOM 93 C CE . LYS A 2450 394 . 19.901 36.633 23.003 1.00 90.73 ? ? ? ? ? . 394 LYS A CE 2450 ATOM 94 N NZ . LYS A 2450 394 . 20.969 37.329 23.768 1.00 93.14 ? ? ? ? ? 1+ 394 LYS A NZ 2450 ATOM 95 N N . LYS A 2450 395 . 24.916 33.845 23.581 1.00 46.10 ? ? ? ? ? . 395 LYS A N 2450 ATOM 96 C CA . LYS A 2450 395 . 26.051 34.615 24.049 1.00 46.52 ? ? ? ? ? . 395 LYS A CA 2450 ATOM 97 C C . LYS A 2450 395 . 27.352 33.822 24.063 1.00 42.03 ? ? ? ? ? . 395 LYS A C 2450 ATOM 98 O O . LYS A 2450 395 . 28.348 34.390 24.448 1.00 44.14 ? ? ? ? ? . 395 LYS A O 2450 ATOM 99 C CB . LYS A 2450 395 . 25.783 35.150 25.465 1.00 50.86 ? ? ? ? ? . 395 LYS A CB 2450 ATOM 100 C CG . LYS A 2450 395 . 24.847 36.331 25.489 1.00 60.03 ? ? ? ? ? . 395 LYS A CG 2450 ATOM 101 C CD . LYS A 2450 395 . 24.800 36.989 26.860 1.00 65.34 ? ? ? ? ? . 395 LYS A CD 2450 ATOM 102 C CE . LYS A 2450 395 . 23.533 37.808 27.058 1.00 68.06 ? ? ? ? ? . 395 LYS A CE 2450 ATOM 103 N NZ . LYS A 2450 395 . 23.693 38.754 28.183 1.00 72.66 ? ? ? ? ? 1+ 395 LYS A NZ 2450 ATOM 104 N N . GLU A 2450 396 . 27.389 32.576 23.550 1.00 42.16 ? ? ? ? ? . 396 GLU A N 2450 ATOM 105 C CA . GLU A 2450 396 . 28.614 31.833 23.513 1.00 36.35 ? ? ? ? ? . 396 GLU A CA 2450 ATOM 106 C C . GLU A 2450 396 . 28.576 30.878 22.314 1.00 37.21 ? ? ? ? ? . 396 GLU A C 2450 ATOM 107 O O . GLU A 2450 396 . 27.560 30.632 21.719 1.00 38.84 ? ? ? ? ? . 396 GLU A O 2450 ATOM 108 C CB . GLU A 2450 396 . 28.772 31.000 24.775 1.00 39.62 ? ? ? ? ? . 396 GLU A CB 2450 ATOM 109 C CG . GLU A 2450 396 . 27.750 29.874 24.880 1.00 41.61 ? ? ? ? ? . 396 GLU A CG 2450 ATOM 110 C CD . GLU A 2450 396 . 27.873 28.962 26.092 1.00 48.43 ? ? ? ? ? . 396 GLU A CD 2450 ATOM 111 O OE1 . GLU A 2450 396 . 28.391 29.418 27.111 1.00 51.36 ? ? ? ? ? . 396 GLU A OE1 2450 ATOM 112 O OE2 . GLU A 2450 396 . 27.430 27.806 25.994 1.00 48.77 ? ? ? ? ? 1- 396 GLU A OE2 2450 ATOM 113 N N . GLY A 2450 397 . 29.753 30.500 21.850 1.00 35.62 ? ? ? ? ? . 397 GLY A N 2450 ATOM 114 C CA . GLY A 2450 397 . 29.863 29.462 20.841 1.00 33.69 ? ? ? ? ? . 397 GLY A CA 2450 ATOM 115 C C . GLY A 2450 397 . 31.153 29.590 20.031 1.00 33.38 ? ? ? ? ? . 397 GLY A C 2450 ATOM 116 O O . GLY A 2450 397 . 32.004 30.476 20.335 1.00 34.18 ? ? ? ? ? . 397 GLY A O 2450 ATOM 117 N N . ARG A 2450 398 . 31.273 28.757 18.992 1.00 32.75 ? ? ? ? ? . 398 ARG A N 2450 ATOM 118 C CA . ARG A 2450 398 . 32.431 28.821 18.063 1.00 33.92 ? ? ? ? ? . 398 ARG A CA 2450 ATOM 119 C C . ARG A 2450 398 . 32.249 30.061 17.177 1.00 33.93 ? ? ? ? ? . 398 ARG A C 2450 ATOM 120 O O . ARG A 2450 398 . 31.135 30.251 16.651 1.00 35.34 ? ? ? ? ? . 398 ARG A O 2450 ATOM 121 C CB . ARG A 2450 398 . 32.493 27.549 17.213 1.00 35.40 ? ? ? ? ? . 398 ARG A CB 2450 ATOM 122 C CG . ARG A 2450 398 . 33.641 27.522 16.214 1.00 35.47 ? ? ? ? ? . 398 ARG A CG 2450 ATOM 123 C CD . ARG A 2450 398 . 33.639 26.265 15.366 1.00 37.72 ? ? ? ? ? . 398 ARG A CD 2450 ATOM 124 N NE . ARG A 2450 398 . 32.419 26.126 14.583 1.00 37.80 ? ? ? ? ? . 398 ARG A NE 2450 ATOM 125 C CZ . ARG A 2450 398 . 31.322 25.506 15.002 1.00 40.67 ? ? ? ? ? . 398 ARG A CZ 2450 ATOM 126 N NH1 . ARG A 2450 398 . 31.288 24.961 16.206 1.00 39.23 ? ? ? ? ? 1+ 398 ARG A NH1 2450 ATOM 127 N NH2 . ARG A 2450 398 . 30.263 25.432 14.217 1.00 42.37 ? ? ? ? ? . 398 ARG A NH2 2450 ATOM 128 N N . VAL A 2450 399 . 33.314 30.847 17.002 1.00 33.65 ? ? ? ? ? . 399 VAL A N 2450 ATOM 129 C CA . VAL A 2450 399 . 33.282 32.085 16.180 1.00 33.98 ? ? ? ? ? . 399 VAL A CA 2450 ATOM 130 C C . VAL A 2450 399 . 33.316 31.734 14.711 1.00 36.82 ? ? ? ? ? . 399 VAL A C 2450 ATOM 131 O O . VAL A 2450 399 . 34.176 30.957 14.295 1.00 37.19 ? ? ? ? ? . 399 VAL A O 2450 ATOM 132 C CB . VAL A 2450 399 . 34.472 33.002 16.512 1.00 38.17 ? ? ? ? ? . 399 VAL A CB 2450 ATOM 133 C CG1 . VAL A 2450 399 . 34.271 34.276 15.672 1.00 40.71 ? ? ? ? ? . 399 VAL A CG1 2450 ATOM 134 C CG2 . VAL A 2450 399 . 34.496 33.327 18.002 1.00 41.53 ? ? ? ? ? . 399 VAL A CG2 2450 ATOM 135 N N . GLU A 2450 400 . 32.312 32.205 13.938 1.00 35.92 ? ? ? ? ? . 400 GLU A N 2450 ATOM 136 C CA . GLU A 2450 400 . 32.352 32.075 12.505 1.00 38.06 ? ? ? ? ? . 400 GLU A CA 2450 ATOM 137 C C . GLU A 2450 400 . 32.331 33.479 11.899 1.00 38.95 ? ? ? ? ? . 400 GLU A C 2450 ATOM 138 O O . GLU A 2450 400 . 31.637 34.397 12.391 1.00 39.67 ? ? ? ? ? . 400 GLU A O 2450 ATOM 139 C CB . GLU A 2450 400 . 31.240 31.154 11.989 1.00 39.84 ? ? ? ? ? . 400 GLU A CB 2450 ATOM 140 C CG . GLU A 2450 400 . 31.460 29.725 12.533 1.00 41.08 ? ? ? ? ? . 400 GLU A CG 2450 ATOM 141 C CD . GLU A 2450 400 . 30.695 28.575 11.960 1.00 48.94 ? ? ? ? ? . 400 GLU A CD 2450 ATOM 142 O OE1 . GLU A 2450 400 . 31.135 27.416 12.192 1.00 46.10 ? ? ? ? ? . 400 GLU A OE1 2450 ATOM 143 O OE2 . GLU A 2450 400 . 29.697 28.874 11.310 1.00 49.37 ? ? ? ? ? 1- 400 GLU A OE2 2450 ATOM 144 N N . VAL A 2450 401 . 33.070 33.628 10.796 1.00 38.19 ? ? ? ? ? . 401 VAL A N 2450 ATOM 145 C CA . VAL A 2450 401 . 33.175 34.902 10.148 1.00 37.85 ? ? ? ? ? . 401 VAL A CA 2450 ATOM 146 C C . VAL A 2450 401 . 32.943 34.712 8.653 1.00 38.78 ? ? ? ? ? . 401 VAL A C 2450 ATOM 147 O O . VAL A 2450 401 . 33.257 33.650 8.100 1.00 40.04 ? ? ? ? ? . 401 VAL A O 2450 ATOM 148 C CB . VAL A 2450 401 . 34.540 35.542 10.394 1.00 44.99 ? ? ? ? ? . 401 VAL A CB 2450 ATOM 149 C CG1 . VAL A 2450 401 . 34.851 35.587 11.868 1.00 55.58 ? ? ? ? ? . 401 VAL A CG1 2450 ATOM 150 C CG2 . VAL A 2450 401 . 35.636 34.744 9.700 1.00 50.73 ? ? ? ? ? . 401 VAL A CG2 2450 ATOM 151 N N . PHE A 2450 402 . 32.336 35.716 8.009 1.00 38.09 ? ? ? ? ? . 402 PHE A N 2450 ATOM 152 C CA . PHE A 2450 402 . 31.936 35.592 6.623 1.00 40.02 ? ? ? ? ? . 402 PHE A CA 2450 ATOM 153 C C . PHE A 2450 402 . 32.902 36.420 5.765 1.00 43.47 ? ? ? ? ? . 402 PHE A C 2450 ATOM 154 O O . PHE A 2450 402 . 32.979 37.627 5.910 1.00 40.64 ? ? ? ? ? . 402 PHE A O 2450 ATOM 155 C CB . PHE A 2450 402 . 30.512 36.101 6.395 1.00 42.57 ? ? ? ? ? . 402 PHE A CB 2450 ATOM 156 C CG . PHE A 2450 402 . 29.982 35.821 5.010 1.00 46.30 ? ? ? ? ? . 402 PHE A CG 2450 ATOM 157 C CD1 . PHE A 2450 402 . 29.439 34.578 4.733 1.00 45.24 ? ? ? ? ? . 402 PHE A CD1 2450 ATOM 158 C CD2 . PHE A 2450 402 . 30.092 36.746 3.965 1.00 48.78 ? ? ? ? ? . 402 PHE A CD2 2450 ATOM 159 C CE1 . PHE A 2450 402 . 28.954 34.286 3.473 1.00 48.58 ? ? ? ? ? . 402 PHE A CE1 2450 ATOM 160 C CE2 . PHE A 2450 402 . 29.611 36.443 2.693 1.00 50.09 ? ? ? ? ? . 402 PHE A CE2 2450 ATOM 161 C CZ . PHE A 2450 402 . 29.044 35.220 2.451 1.00 48.64 ? ? ? ? ? . 402 PHE A CZ 2450 ATOM 162 N N . VAL A 2450 403 . 33.666 35.711 4.948 1.00 41.86 ? ? ? ? ? . 403 VAL A N 2450 ATOM 163 C CA . VAL A 2450 403 . 34.813 36.260 4.176 1.00 46.02 ? ? ? ? ? . 403 VAL A CA 2450 ATOM 164 C C . VAL A 2450 403 . 34.816 35.540 2.831 1.00 47.79 ? ? ? ? ? . 403 VAL A C 2450 ATOM 165 O O . VAL A 2450 403 . 34.655 34.338 2.806 1.00 46.20 ? ? ? ? ? . 403 VAL A O 2450 ATOM 166 C CB . VAL A 2450 403 . 36.130 35.968 4.909 1.00 46.51 ? ? ? ? ? . 403 VAL A CB 2450 ATOM 167 C CG1 . VAL A 2450 403 . 37.337 36.516 4.170 1.00 51.59 ? ? ? ? ? . 403 VAL A CG1 2450 ATOM 168 C CG2 . VAL A 2450 403 . 36.157 36.566 6.302 1.00 49.54 ? ? ? ? ? . 403 VAL A CG2 2450 ATOM 169 N N . ASN A 2450 404 . 35.055 36.249 1.724 1.00 47.29 ? ? ? ? ? . 404 ASN A N 2450 ATOM 170 C CA . ASN A 2450 404 . 35.211 35.603 0.441 1.00 50.55 ? ? ? ? ? . 404 ASN A CA 2450 ATOM 171 C C . ASN A 2450 404 . 34.036 34.678 0.122 1.00 51.75 ? ? ? ? ? . 404 ASN A C 2450 ATOM 172 O O . ASN A 2450 404 . 34.227 33.579 -0.359 1.00 51.61 ? ? ? ? ? . 404 ASN A O 2450 ATOM 173 C CB . ASN A 2450 404 . 36.555 34.864 0.420 1.00 50.52 ? ? ? ? ? . 404 ASN A CB 2450 ATOM 174 C CG . ASN A 2450 404 . 37.707 35.845 0.322 1.00 51.52 ? ? ? ? ? . 404 ASN A CG 2450 ATOM 175 N ND2 . ASN A 2450 404 . 38.842 35.492 0.880 1.00 51.61 ? ? ? ? ? . 404 ASN A ND2 2450 ATOM 176 O OD1 . ASN A 2450 404 . 37.531 36.922 -0.202 1.00 50.48 ? ? ? ? ? . 404 ASN A OD1 2450 ATOM 177 N N . GLY A 2450 405 . 32.828 35.120 0.441 1.00 48.40 ? ? ? ? ? . 405 GLY A N 2450 ATOM 178 C CA . GLY A 2450 405 . 31.596 34.458 0.029 1.00 51.61 ? ? ? ? ? . 405 GLY A CA 2450 ATOM 179 C C . GLY A 2450 405 . 31.250 33.262 0.885 1.00 51.28 ? ? ? ? ? . 405 GLY A C 2450 ATOM 180 O O . GLY A 2450 405 . 30.316 32.556 0.555 1.00 51.79 ? ? ? ? ? . 405 GLY A O 2450 ATOM 181 N N . GLN A 2450 406 . 31.995 32.965 1.956 1.00 48.60 ? ? ? ? ? . 406 GLN A N 2450 ATOM 182 C CA . GLN A 2450 406 . 31.708 31.777 2.777 1.00 48.46 ? ? ? ? ? . 406 GLN A CA 2450 ATOM 183 C C . GLN A 2450 406 . 31.864 32.039 4.272 1.00 45.14 ? ? ? ? ? . 406 GLN A C 2450 ATOM 184 O O . GLN A 2450 406 . 32.735 32.766 4.713 1.00 41.30 ? ? ? ? ? . 406 GLN A O 2450 ATOM 185 C CB . GLN A 2450 406 . 32.666 30.606 2.538 1.00 48.30 ? ? ? ? ? . 406 GLN A CB 2450 ATOM 186 C CG . GLN A 2450 406 . 32.498 29.990 1.169 1.00 58.32 ? ? ? ? ? . 406 GLN A CG 2450 ATOM 187 C CD . GLN A 2450 406 . 33.454 28.833 1.019 1.00 63.34 ? ? ? ? ? . 406 GLN A CD 2450 ATOM 188 N NE2 . GLN A 2450 406 . 33.066 27.691 1.556 1.00 66.45 ? ? ? ? ? . 406 GLN A NE2 2450 ATOM 189 O OE1 . GLN A 2450 406 . 34.551 28.977 0.498 1.00 66.21 ? ? ? ? ? . 406 GLN A OE1 2450 ATOM 190 N N . TRP A 2450 407 . 31.031 31.325 5.053 1.00 44.76 ? ? ? ? ? . 407 TRP A N 2450 ATOM 191 C CA . TRP A 2450 407 . 31.252 31.255 6.481 1.00 43.71 ? ? ? ? ? . 407 TRP A CA 2450 ATOM 192 C C . TRP A 2450 407 . 32.440 30.337 6.788 1.00 44.92 ? ? ? ? ? . 407 TRP A C 2450 ATOM 193 O O . TRP A 2450 407 . 32.562 29.281 6.214 1.00 44.72 ? ? ? ? ? . 407 TRP A O 2450 ATOM 194 C CB . TRP A 2450 407 . 30.007 30.752 7.238 1.00 44.55 ? ? ? ? ? . 407 TRP A CB 2450 ATOM 195 C CG . TRP A 2450 407 . 28.901 31.749 7.260 1.00 42.56 ? ? ? ? ? . 407 TRP A CG 2450 ATOM 196 C CD1 . TRP A 2450 407 . 27.797 31.813 6.441 1.00 44.48 ? ? ? ? ? . 407 TRP A CD1 2450 ATOM 197 C CD2 . TRP A 2450 407 . 28.834 32.901 8.113 1.00 39.86 ? ? ? ? ? . 407 TRP A CD2 2450 ATOM 198 C CE2 . TRP A 2450 407 . 27.663 33.593 7.791 1.00 43.60 ? ? ? ? ? . 407 TRP A CE2 2450 ATOM 199 C CE3 . TRP A 2450 407 . 29.666 33.431 9.092 1.00 39.20 ? ? ? ? ? . 407 TRP A CE3 2450 ATOM 200 N NE1 . TRP A 2450 407 . 27.038 32.900 6.802 1.00 44.62 ? ? ? ? ? . 407 TRP A NE1 2450 ATOM 201 C CZ2 . TRP A 2450 407 . 27.271 34.742 8.469 1.00 43.79 ? ? ? ? ? . 407 TRP A CZ2 2450 ATOM 202 C CZ3 . TRP A 2450 407 . 29.270 34.539 9.791 1.00 37.13 ? ? ? ? ? . 407 TRP A CZ3 2450 ATOM 203 C CH2 . TRP A 2450 407 . 28.110 35.219 9.439 1.00 39.90 ? ? ? ? ? . 407 TRP A CH2 2450 ATOM 204 N N . GLY A 2450 408 . 33.323 30.758 7.695 1.00 38.84 ? ? ? ? ? . 408 GLY A N 2450 ATOM 205 C CA . GLY A 2450 408 . 34.458 29.923 8.099 1.00 41.42 ? ? ? ? ? . 408 GLY A CA 2450 ATOM 206 C C . GLY A 2450 408 . 34.925 30.272 9.485 1.00 40.39 ? ? ? ? ? . 408 GLY A C 2450 ATOM 207 O O . GLY A 2450 408 . 34.354 31.166 10.142 1.00 41.01 ? ? ? ? ? . 408 GLY A O 2450 ATOM 208 N N . THR A 2450 409 . 35.939 29.590 9.957 1.00 39.67 ? ? ? ? ? . 409 THR A N 2450 ATOM 209 C CA . THR A 2450 409 . 36.307 29.668 11.379 1.00 39.73 ? ? ? ? ? . 409 THR A CA 2450 ATOM 210 C C . THR A 2450 409 . 37.596 30.457 11.542 1.00 41.65 ? ? ? ? ? . 409 THR A C 2450 ATOM 211 O O . THR A 2450 409 . 38.167 30.931 10.592 1.00 43.75 ? ? ? ? ? . 409 THR A O 2450 ATOM 212 C CB . THR A 2450 409 . 36.414 28.249 11.958 1.00 41.20 ? ? ? ? ? . 409 THR A CB 2450 ATOM 213 C CG2 . THR A 2450 409 . 35.088 27.543 11.798 1.00 41.25 ? ? ? ? ? . 409 THR A CG2 2450 ATOM 214 O OG1 . THR A 2450 409 . 37.328 27.475 11.171 1.00 42.34 ? ? ? ? ? . 409 THR A OG1 2450 ATOM 215 N N . ILE A 2450 410 . 38.010 30.555 12.809 1.00 40.71 ? ? ? ? ? . 410 ILE A N 2450 ATOM 216 C CA . ILE A 2450 410 . 39.222 31.221 13.216 1.00 38.87 ? ? ? ? ? . 410 ILE A CA 2450 ATOM 217 C C . ILE A 2450 410 . 40.060 30.253 14.046 1.00 40.12 ? ? ? ? ? . 410 ILE A C 2450 ATOM 218 O O . ILE A 2450 410 . 39.567 29.616 14.999 1.00 39.19 ? ? ? ? ? . 410 ILE A O 2450 ATOM 219 C CB . ILE A 2450 410 . 38.877 32.456 14.053 1.00 41.94 ? ? ? ? ? . 410 ILE A CB 2450 ATOM 220 C CG1 . ILE A 2450 410 . 37.948 33.394 13.302 1.00 43.25 ? ? ? ? ? . 410 ILE A CG1 2450 ATOM 221 C CG2 . ILE A 2450 410 . 40.123 33.145 14.557 1.00 43.50 ? ? ? ? ? . 410 ILE A CG2 2450 ATOM 222 C CD1 . ILE A 2450 410 . 37.679 34.681 14.088 1.00 47.30 ? ? ? ? ? . 410 ILE A CD1 2450 ATOM 223 N N . CYS A 2450 411 . 41.338 30.120 13.709 1.00 41.41 ? ? ? ? ? . 411 CYS A N 2450 ATOM 224 C CA . CYS A 2450 411 . 42.292 29.271 14.445 1.00 45.84 ? ? ? ? ? . 411 CYS A CA 2450 ATOM 225 C C . CYS A 2450 411 . 42.568 29.857 15.852 1.00 49.74 ? ? ? ? ? . 411 CYS A C 2450 ATOM 226 O O . CYS A 2450 411 . 42.700 31.051 16.003 1.00 46.56 ? ? ? ? ? . 411 CYS A O 2450 ATOM 227 C CB . CYS A 2450 411 . 43.602 29.148 13.680 1.00 50.31 ? ? ? ? ? . 411 CYS A CB 2450 ATOM 228 S SG . CYS A 2450 411 . 44.737 27.968 14.439 1.00 56.85 ? ? ? ? ? . 411 CYS A SG 2450 ATOM 229 N N . ASP A 2450 412 . 42.740 28.987 16.852 1.00 45.12 ? ? ? ? ? . 412 ASP A N 2450 ATOM 230 C CA . ASP A 2450 412 . 42.901 29.430 18.239 1.00 45.95 ? ? ? ? ? . 412 ASP A CA 2450 ATOM 231 C C . ASP A 2450 412 . 44.348 29.780 18.570 1.00 47.04 ? ? ? ? ? . 412 ASP A C 2450 ATOM 232 O O . ASP A 2450 412 . 44.625 30.071 19.720 1.00 43.52 ? ? ? ? ? . 412 ASP A O 2450 ATOM 233 C CB . ASP A 2450 412 . 42.340 28.396 19.224 1.00 40.94 ? ? ? ? ? . 412 ASP A CB 2450 ATOM 234 C CG . ASP A 2450 412 . 43.169 27.109 19.287 1.00 45.18 ? ? ? ? ? . 412 ASP A CG 2450 ATOM 235 O OD1 . ASP A 2450 412 . 44.172 27.007 18.541 1.00 44.25 ? ? ? ? ? . 412 ASP A OD1 2450 ATOM 236 O OD2 . ASP A 2450 412 . 42.777 26.185 20.012 1.00 45.53 ? ? ? ? ? 1- 412 ASP A OD2 2450 ATOM 237 N N . ASP A 2450 413 . 45.289 29.708 17.593 1.00 48.14 ? ? ? ? ? . 413 ASP A N 2450 ATOM 238 C CA . ASP A 2450 413 . 46.676 29.984 17.853 1.00 56.39 ? ? ? ? ? . 413 ASP A CA 2450 ATOM 239 C C . ASP A 2450 413 . 46.755 31.457 18.277 1.00 55.39 ? ? ? ? ? . 413 ASP A C 2450 ATOM 240 O O . ASP A 2450 413 . 46.351 32.376 17.516 1.00 56.16 ? ? ? ? ? . 413 ASP A O 2450 ATOM 241 C CB . ASP A 2450 413 . 47.511 29.738 16.593 1.00 55.52 ? ? ? ? ? . 413 ASP A CB 2450 ATOM 242 C CG . ASP A 2450 413 . 48.973 29.667 16.995 1.00 69.93 ? ? ? ? ? . 413 ASP A CG 2450 ATOM 243 O OD1 . ASP A 2450 413 . 49.308 28.802 17.842 1.00 80.40 ? ? ? ? ? . 413 ASP A OD1 2450 ATOM 244 O OD2 . ASP A 2450 413 . 49.688 30.573 16.612 1.00 76.09 ? ? ? ? ? 1- 413 ASP A OD2 2450 ATOM 245 N N . GLY A 2450 414 . 47.225 31.685 19.487 1.00 54.89 ? ? ? ? ? . 414 GLY A N 2450 ATOM 246 C CA . GLY A 2450 414 . 47.304 33.053 19.989 1.00 55.94 ? ? ? ? ? . 414 GLY A CA 2450 ATOM 247 C C . GLY A 2450 414 . 45.956 33.638 20.435 1.00 53.20 ? ? ? ? ? . 414 GLY A C 2450 ATOM 248 O O . GLY A 2450 414 . 45.912 34.831 20.676 1.00 49.15 ? ? ? ? ? . 414 GLY A O 2450 ATOM 249 N N . TRP A 2450 415 . 44.865 32.843 20.496 1.00 44.55 ? ? ? ? ? . 415 TRP A N 2450 ATOM 250 C CA . TRP A 2450 415 . 43.549 33.348 20.812 1.00 42.20 ? ? ? ? ? . 415 TRP A CA 2450 ATOM 251 C C . TRP A 2450 415 . 43.414 33.436 22.348 1.00 43.32 ? ? ? ? ? . 415 TRP A C 2450 ATOM 252 O O . TRP A 2450 415 . 43.683 32.459 23.025 1.00 43.08 ? ? ? ? ? . 415 TRP A O 2450 ATOM 253 C CB . TRP A 2450 415 . 42.456 32.436 20.191 1.00 42.46 ? ? ? ? ? . 415 TRP A CB 2450 ATOM 254 C CG . TRP A 2450 415 . 41.034 32.899 20.313 1.00 39.27 ? ? ? ? ? . 415 TRP A CG 2450 ATOM 255 C CD1 . TRP A 2450 415 . 40.102 32.438 21.217 1.00 37.25 ? ? ? ? ? . 415 TRP A CD1 2450 ATOM 256 C CD2 . TRP A 2450 415 . 40.304 33.768 19.409 1.00 38.51 ? ? ? ? ? . 415 TRP A CD2 2450 ATOM 257 C CE2 . TRP A 2450 415 . 38.995 33.859 19.881 1.00 37.49 ? ? ? ? ? . 415 TRP A CE2 2450 ATOM 258 C CE3 . TRP A 2450 415 . 40.683 34.510 18.292 1.00 42.68 ? ? ? ? ? . 415 TRP A CE3 2450 ATOM 259 N NE1 . TRP A 2450 415 . 38.911 33.058 20.970 1.00 37.64 ? ? ? ? ? . 415 TRP A NE1 2450 ATOM 260 C CZ2 . TRP A 2450 415 . 38.016 34.621 19.247 1.00 37.47 ? ? ? ? ? . 415 TRP A CZ2 2450 ATOM 261 C CZ3 . TRP A 2450 415 . 39.732 35.286 17.682 1.00 39.84 ? ? ? ? ? . 415 TRP A CZ3 2450 ATOM 262 C CH2 . TRP A 2450 415 . 38.432 35.385 18.178 1.00 41.94 ? ? ? ? ? . 415 TRP A CH2 2450 ATOM 263 N N . THR A 2450 416 . 43.073 34.621 22.848 1.00 42.50 ? ? ? ? ? . 416 THR A N 2450 ATOM 264 C CA . THR A 2450 416 . 43.002 34.855 24.310 1.00 42.50 ? ? ? ? ? . 416 THR A CA 2450 ATOM 265 C C . THR A 2450 416 . 41.729 35.629 24.642 1.00 43.74 ? ? ? ? ? . 416 THR A C 2450 ATOM 266 O O . THR A 2450 416 . 40.905 35.844 23.740 1.00 39.98 ? ? ? ? ? . 416 THR A O 2450 ATOM 267 C CB . THR A 2450 416 . 44.216 35.659 24.790 1.00 46.39 ? ? ? ? ? . 416 THR A CB 2450 ATOM 268 C CG2 . THR A 2450 416 . 45.530 35.083 24.311 1.00 51.09 ? ? ? ? ? . 416 THR A CG2 2450 ATOM 269 O OG1 . THR A 2450 416 . 44.074 36.994 24.308 1.00 44.14 ? ? ? ? ? . 416 THR A OG1 2450 ATOM 270 N N . ASP A 2450 417 . 41.618 36.069 25.898 1.00 43.54 ? ? ? ? ? . 417 ASP A N 2450 ATOM 271 C CA . ASP A 2450 417 . 40.463 36.864 26.395 1.00 46.72 ? ? ? ? ? . 417 ASP A CA 2450 ATOM 272 C C . ASP A 2450 417 . 40.364 38.198 25.636 1.00 47.37 ? ? ? ? ? . 417 ASP A C 2450 ATOM 273 O O . ASP A 2450 417 . 39.240 38.705 25.514 1.00 42.66 ? ? ? ? ? . 417 ASP A O 2450 ATOM 274 C CB . ASP A 2450 417 . 40.455 36.965 27.923 1.00 51.11 ? ? ? ? ? . 417 ASP A CB 2450 ATOM 275 C CG . ASP A 2450 417 . 40.206 35.631 28.608 1.00 50.51 ? ? ? ? ? . 417 ASP A CG 2450 ATOM 276 O OD1 . ASP A 2450 417 . 39.993 34.634 27.895 1.00 44.74 ? ? ? ? ? . 417 ASP A OD1 2450 ATOM 277 O OD2 . ASP A 2450 417 . 40.229 35.601 29.849 1.00 49.69 ? ? ? ? ? 1- 417 ASP A OD2 2450 ATOM 278 N N . LYS A 2450 418 . 41.494 38.786 25.223 1.00 45.20 ? ? ? ? ? . 418 LYS A N 2450 ATOM 279 C CA . LYS A 2450 418 . 41.470 40.046 24.436 1.00 47.51 ? ? ? ? ? . 418 LYS A CA 2450 ATOM 280 C C . LYS A 2450 418 . 40.696 39.799 23.131 1.00 43.18 ? ? ? ? ? . 418 LYS A C 2450 ATOM 281 O O . LYS A 2450 418 . 39.847 40.640 22.805 1.00 46.46 ? ? ? ? ? . 418 LYS A O 2450 ATOM 282 C CB . LYS A 2450 418 . 42.904 40.505 24.158 1.00 55.15 ? ? ? ? ? . 418 LYS A CB 2450 ATOM 283 C CG . LYS A 2450 418 . 43.750 40.774 25.395 1.00 58.28 ? ? ? ? ? . 418 LYS A CG 2450 ATOM 284 C CD . LYS A 2450 418 . 45.130 41.305 25.069 1.00 68.84 ? ? ? ? ? . 418 LYS A CD 2450 ATOM 285 C CE . LYS A 2450 418 . 45.887 41.800 26.284 1.00 80.15 ? ? ? ? ? . 418 LYS A CE 2450 ATOM 286 N NZ . LYS A 2450 418 . 46.411 40.683 27.104 1.00 87.74 ? ? ? ? ? 1+ 418 LYS A NZ 2450 ATOM 287 N N . HIS A 2450 419 . 40.945 38.681 22.434 1.00 44.27 ? ? ? ? ? . 419 HIS A N 2450 ATOM 288 C CA . HIS A 2450 419 . 40.163 38.371 21.256 1.00 42.14 ? ? ? ? ? . 419 HIS A CA 2450 ATOM 289 C C . HIS A 2450 419 . 38.689 38.223 21.575 1.00 41.52 ? ? ? ? ? . 419 HIS A C 2450 ATOM 290 O O . HIS A 2450 419 . 37.807 38.713 20.824 1.00 40.73 ? ? ? ? ? . 419 HIS A O 2450 ATOM 291 C CB . HIS A 2450 419 . 40.735 37.124 20.560 1.00 43.48 ? ? ? ? ? . 419 HIS A CB 2450 ATOM 292 C CG . HIS A 2450 419 . 42.175 37.269 20.208 1.00 45.68 ? ? ? ? ? . 419 HIS A CG 2450 ATOM 293 C CD2 . HIS A 2450 419 . 42.770 37.555 19.036 1.00 47.46 ? ? ? ? ? . 419 HIS A CD2 2450 ATOM 294 N ND1 . HIS A 2450 419 . 43.192 37.094 21.131 1.00 46.22 ? ? ? ? ? . 419 HIS A ND1 2450 ATOM 295 C CE1 . HIS A 2450 419 . 44.367 37.393 20.575 1.00 51.87 ? ? ? ? ? . 419 HIS A CE1 2450 ATOM 296 N NE2 . HIS A 2450 419 . 44.146 37.639 19.264 1.00 47.13 ? ? ? ? ? . 419 HIS A NE2 2450 ATOM 297 N N . ALA A 2450 420 . 38.378 37.515 22.655 1.00 40.03 ? ? ? ? ? . 420 ALA A N 2450 ATOM 298 C CA . ALA A 2450 420 . 37.034 37.311 23.055 1.00 41.70 ? ? ? ? ? . 420 ALA A CA 2450 ATOM 299 C C . ALA A 2450 420 . 36.329 38.625 23.366 1.00 38.25 ? ? ? ? ? . 420 ALA A C 2450 ATOM 300 O O . ALA A 2450 420 . 35.144 38.790 22.908 1.00 41.30 ? ? ? ? ? . 420 ALA A O 2450 ATOM 301 C CB . ALA A 2450 420 . 36.937 36.406 24.261 1.00 41.93 ? ? ? ? ? . 420 ALA A CB 2450 ATOM 302 N N . ALA A 2450 421 . 37.047 39.574 23.973 1.00 42.16 ? ? ? ? ? . 421 ALA A N 2450 ATOM 303 C CA . ALA A 2450 421 . 36.475 40.901 24.286 1.00 43.95 ? ? ? ? ? . 421 ALA A CA 2450 ATOM 304 C C . ALA A 2450 421 . 36.051 41.586 22.981 1.00 44.10 ? ? ? ? ? . 421 ALA A C 2450 ATOM 305 O O . ALA A 2450 421 . 34.938 42.185 22.908 1.00 44.90 ? ? ? ? ? . 421 ALA A O 2450 ATOM 306 C CB . ALA A 2450 421 . 37.438 41.769 25.115 1.00 48.64 ? ? ? ? ? . 421 ALA A CB 2450 ATOM 307 N N . VAL A 2450 422 . 36.870 41.468 21.930 1.00 46.02 ? ? ? ? ? . 422 VAL A N 2450 ATOM 308 C CA . VAL A 2450 422 . 36.628 42.149 20.726 1.00 44.74 ? ? ? ? ? . 422 VAL A CA 2450 ATOM 309 C C . VAL A 2450 422 . 35.420 41.521 19.992 1.00 47.00 ? ? ? ? ? . 422 VAL A C 2450 ATOM 310 O O . VAL A 2450 422 . 34.527 42.207 19.527 1.00 46.79 ? ? ? ? ? . 422 VAL A O 2450 ATOM 311 C CB . VAL A 2450 422 . 37.860 42.180 19.810 1.00 50.87 ? ? ? ? ? . 422 VAL A CB 2450 ATOM 312 C CG1 . VAL A 2450 422 . 37.514 42.713 18.409 1.00 50.68 ? ? ? ? ? . 422 VAL A CG1 2450 ATOM 313 C CG2 . VAL A 2450 422 . 38.976 43.006 20.430 1.00 56.37 ? ? ? ? ? . 422 VAL A CG2 2450 ATOM 314 N N . ILE A 2450 423 . 35.390 40.200 19.920 1.00 41.89 ? ? ? ? ? . 423 ILE A N 2450 ATOM 315 C CA . ILE A 2450 423 . 34.225 39.547 19.305 1.00 38.24 ? ? ? ? ? . 423 ILE A CA 2450 ATOM 316 C C . ILE A 2450 423 . 32.941 39.919 20.024 1.00 41.48 ? ? ? ? ? . 423 ILE A C 2450 ATOM 317 O O . ILE A 2450 423 . 31.913 40.269 19.367 1.00 41.46 ? ? ? ? ? . 423 ILE A O 2450 ATOM 318 C CB . ILE A 2450 423 . 34.450 38.021 19.330 1.00 39.99 ? ? ? ? ? . 423 ILE A CB 2450 ATOM 319 C CG1 . ILE A 2450 423 . 35.636 37.606 18.468 1.00 41.59 ? ? ? ? ? . 423 ILE A CG1 2450 ATOM 320 C CG2 . ILE A 2450 423 . 33.154 37.305 18.923 1.00 40.76 ? ? ? ? ? . 423 ILE A CG2 2450 ATOM 321 C CD1 . ILE A 2450 423 . 35.495 37.938 17.017 1.00 45.40 ? ? ? ? ? . 423 ILE A CD1 2450 ATOM 322 N N . CYS A 2450 424 . 32.949 39.805 21.352 1.00 41.08 ? ? ? ? ? . 424 CYS A N 2450 ATOM 323 C CA . CYS A 2450 424 . 31.793 40.074 22.148 1.00 45.45 ? ? ? ? ? . 424 CYS A CA 2450 ATOM 324 C C . CYS A 2450 424 . 31.339 41.547 22.041 1.00 43.06 ? ? ? ? ? . 424 CYS A C 2450 ATOM 325 O O . CYS A 2450 424 . 30.117 41.834 21.912 1.00 43.87 ? ? ? ? ? . 424 CYS A O 2450 ATOM 326 C CB . CYS A 2450 424 . 32.053 39.660 23.589 1.00 46.41 ? ? ? ? ? . 424 CYS A CB 2450 ATOM 327 S SG . CYS A 2450 424 . 32.221 37.840 23.727 1.00 45.78 ? ? ? ? ? . 424 CYS A SG 2450 ATOM 328 N N . ARG A 2450 425 . 32.307 42.468 21.978 1.00 45.93 ? ? ? ? ? . 425 ARG A N 2450 ATOM 329 C CA . ARG A 2450 425 . 32.042 43.906 21.775 1.00 50.20 ? ? ? ? ? . 425 ARG A CA 2450 ATOM 330 C C . ARG A 2450 425 . 31.343 44.129 20.430 1.00 47.44 ? ? ? ? ? . 425 ARG A C 2450 ATOM 331 O O . ARG A 2450 425 . 30.355 44.802 20.364 1.00 45.18 ? ? ? ? ? . 425 ARG A O 2450 ATOM 332 C CB . ARG A 2450 425 . 33.334 44.729 21.946 1.00 54.88 ? ? ? ? ? . 425 ARG A CB 2450 ATOM 333 C CG . ARG A 2450 425 . 33.138 46.246 21.878 1.00 61.93 ? ? ? ? ? . 425 ARG A CG 2450 ATOM 334 C CD . ARG A 2450 425 . 34.409 47.026 22.234 1.00 59.05 ? ? ? ? ? . 425 ARG A CD 2450 ATOM 335 N NE . ARG A 2450 425 . 34.967 46.731 23.542 1.00 60.48 ? ? ? ? ? . 425 ARG A NE 2450 ATOM 336 C CZ . ARG A 2450 425 . 36.091 46.055 23.771 1.00 62.31 ? ? ? ? ? . 425 ARG A CZ 2450 ATOM 337 N NH1 . ARG A 2450 425 . 36.892 45.666 22.782 1.00 58.13 ? ? ? ? ? 1+ 425 ARG A NH1 2450 ATOM 338 N NH2 . ARG A 2450 425 . 36.404 45.760 25.021 1.00 63.04 ? ? ? ? ? . 425 ARG A NH2 2450 ATOM 339 N N . GLN A 2450 426 . 31.840 43.532 19.354 1.00 47.76 ? ? ? ? ? . 426 GLN A N 2450 ATOM 340 C CA . GLN A 2450 426 . 31.260 43.691 18.065 1.00 46.48 ? ? ? ? ? . 426 GLN A CA 2450 ATOM 341 C C . GLN A 2450 426 . 29.809 43.163 18.057 1.00 45.06 ? ? ? ? ? . 426 GLN A C 2450 ATOM 342 O O . GLN A 2450 426 . 28.963 43.758 17.362 1.00 44.57 ? ? ? ? ? . 426 GLN A O 2450 ATOM 343 C CB . GLN A 2450 426 . 32.101 43.060 16.969 1.00 45.65 ? ? ? ? ? . 426 GLN A CB 2450 ATOM 344 C CG . GLN A 2450 426 . 31.573 43.405 15.578 1.00 46.11 ? ? ? ? ? . 426 GLN A CG 2450 ATOM 345 C CD . GLN A 2450 426 . 32.200 42.683 14.419 1.00 45.35 ? ? ? ? ? . 426 GLN A CD 2450 ATOM 346 N NE2 . GLN A 2450 426 . 31.432 42.520 13.373 1.00 42.96 ? ? ? ? ? . 426 GLN A NE2 2450 ATOM 347 O OE1 . GLN A 2450 426 . 33.383 42.408 14.387 1.00 48.06 ? ? ? ? ? . 426 GLN A OE1 2450 ATOM 348 N N . LEU A 2450 427 . 29.550 42.076 18.783 1.00 42.84 ? ? ? ? ? . 427 LEU A N 2450 ATOM 349 C CA . LEU A 2450 427 . 28.224 41.495 18.873 1.00 41.75 ? ? ? ? ? . 427 LEU A CA 2450 ATOM 350 C C . LEU A 2450 427 . 27.273 42.294 19.774 1.00 47.29 ? ? ? ? ? . 427 LEU A C 2450 ATOM 351 O O . LEU A 2450 427 . 26.091 41.975 19.824 1.00 42.26 ? ? ? ? ? . 427 LEU A O 2450 ATOM 352 C CB . LEU A 2450 427 . 28.388 40.071 19.409 1.00 41.64 ? ? ? ? ? . 427 LEU A CB 2450 ATOM 353 C CG . LEU A 2450 427 . 28.947 39.039 18.436 1.00 42.86 ? ? ? ? ? . 427 LEU A CG 2450 ATOM 354 C CD1 . LEU A 2450 427 . 29.222 37.726 19.171 1.00 44.24 ? ? ? ? ? . 427 LEU A CD1 2450 ATOM 355 C CD2 . LEU A 2450 427 . 28.000 38.817 17.279 1.00 45.06 ? ? ? ? ? . 427 LEU A CD2 2450 ATOM 356 N N . GLY A 2450 428 . 27.788 43.302 20.456 1.00 50.54 ? ? ? ? ? . 428 GLY A N 2450 ATOM 357 C CA . GLY A 2450 428 . 26.950 44.206 21.232 1.00 52.06 ? ? ? ? ? . 428 GLY A CA 2450 ATOM 358 C C . GLY A 2450 428 . 26.887 43.877 22.698 1.00 56.68 ? ? ? ? ? . 428 GLY A C 2450 ATOM 359 O O . GLY A 2450 428 . 26.143 44.535 23.396 1.00 56.20 ? ? ? ? ? . 428 GLY A O 2450 ATOM 360 N N . TYR A 2450 429 . 27.756 42.981 23.207 1.00 48.14 ? ? ? ? ? . 429 TYR A N 2450 ATOM 361 C CA . TYR A 2450 429 . 27.831 42.657 24.603 1.00 56.11 ? ? ? ? ? . 429 TYR A CA 2450 ATOM 362 C C . TYR A 2450 429 . 28.887 43.576 25.251 1.00 62.14 ? ? ? ? ? . 429 TYR A C 2450 ATOM 363 O O . TYR A 2450 429 . 29.836 43.980 24.618 1.00 71.28 ? ? ? ? ? . 429 TYR A O 2450 ATOM 364 C CB . TYR A 2450 429 . 28.141 41.179 24.823 1.00 53.60 ? ? ? ? ? . 429 TYR A CB 2450 ATOM 365 C CG . TYR A 2450 429 . 27.105 40.290 24.206 1.00 52.30 ? ? ? ? ? . 429 TYR A CG 2450 ATOM 366 C CD1 . TYR A 2450 429 . 25.796 40.369 24.646 1.00 62.09 ? ? ? ? ? . 429 TYR A CD1 2450 ATOM 367 C CD2 . TYR A 2450 429 . 27.362 39.558 23.069 1.00 48.43 ? ? ? ? ? . 429 TYR A CD2 2450 ATOM 368 C CE1 . TYR A 2450 429 . 24.783 39.662 24.021 1.00 63.35 ? ? ? ? ? . 429 TYR A CE1 2450 ATOM 369 C CE2 . TYR A 2450 429 . 26.376 38.799 22.463 1.00 51.26 ? ? ? ? ? . 429 TYR A CE2 2450 ATOM 370 C CZ . TYR A 2450 429 . 25.081 38.880 22.919 1.00 58.80 ? ? ? ? ? . 429 TYR A CZ 2450 ATOM 371 O OH . TYR A 2450 429 . 24.115 38.123 22.338 1.00 65.79 ? ? ? ? ? . 429 TYR A OH 2450 ATOM 372 N N . LYS A 2450 430 . 28.676 43.900 26.521 1.00 61.86 ? ? ? ? ? . 430 LYS A N 2450 ATOM 373 C CA . LYS A 2450 430 . 29.438 44.921 27.226 1.00 71.82 ? ? ? ? ? . 430 LYS A CA 2450 ATOM 374 C C . LYS A 2450 430 . 30.241 44.335 28.390 1.00 69.73 ? ? ? ? ? . 430 LYS A C 2450 ATOM 375 O O . LYS A 2450 430 . 31.133 45.030 28.929 1.00 68.87 ? ? ? ? ? . 430 LYS A O 2450 ATOM 376 C CB . LYS A 2450 430 . 28.480 45.969 27.798 1.00 77.71 ? ? ? ? ? . 430 LYS A CB 2450 ATOM 377 C CG . LYS A 2450 430 . 27.480 46.501 26.794 1.00 82.14 ? ? ? ? ? . 430 LYS A CG 2450 ATOM 378 C CD . LYS A 2450 430 . 28.129 47.308 25.670 1.00 85.92 ? ? ? ? ? . 430 LYS A CD 2450 ATOM 379 C CE . LYS A 2450 430 . 27.123 47.769 24.640 1.00 88.99 ? ? ? ? ? . 430 LYS A CE 2450 ATOM 380 N NZ . LYS A 2450 430 . 27.398 49.138 24.153 1.00 97.12 ? ? ? ? ? 1+ 430 LYS A NZ 2450 ATOM 381 N N . GLY A 2450 431 . 29.867 43.147 28.857 1.00 60.19 ? ? ? ? ? . 431 GLY A N 2450 ATOM 382 C CA . GLY A 2450 431 . 30.453 42.561 30.077 1.00 58.90 ? ? ? ? ? . 431 GLY A CA 2450 ATOM 383 C C . GLY A 2450 431 . 31.779 41.838 29.829 1.00 56.94 ? ? ? ? ? . 431 GLY A C 2450 ATOM 384 O O . GLY A 2450 431 . 32.346 41.912 28.732 1.00 56.89 ? ? ? ? ? . 431 GLY A O 2450 ATOM 385 N N . PRO A 2450 432 . 32.284 41.112 30.849 1.00 59.08 ? ? ? ? ? . 432 PRO A N 2450 ATOM 386 C CA . PRO A 2450 432 . 33.542 40.377 30.749 1.00 57.65 ? ? ? ? ? . 432 PRO A CA 2450 ATOM 387 C C . PRO A 2450 432 . 33.364 39.282 29.676 1.00 53.05 ? ? ? ? ? . 432 PRO A C 2450 ATOM 388 O O . PRO A 2450 432 . 32.245 38.805 29.506 1.00 52.40 ? ? ? ? ? . 432 PRO A O 2450 ATOM 389 C CB . PRO A 2450 432 . 33.772 39.760 32.144 1.00 61.34 ? ? ? ? ? . 432 PRO A CB 2450 ATOM 390 C CG . PRO A 2450 432 . 32.689 40.310 33.031 1.00 64.96 ? ? ? ? ? . 432 PRO A CG 2450 ATOM 391 C CD . PRO A 2450 432 . 31.611 40.875 32.138 1.00 62.24 ? ? ? ? ? . 432 PRO A CD 2450 ATOM 392 N N . ALA A 2450 433 . 34.425 38.997 28.910 1.00 48.24 ? ? ? ? ? . 433 ALA A N 2450 ATOM 393 C CA . ALA A 2450 433 . 34.358 37.869 27.884 1.00 46.05 ? ? ? ? ? . 433 ALA A CA 2450 ATOM 394 C C . ALA A 2450 433 . 35.480 36.904 28.178 1.00 43.45 ? ? ? ? ? . 433 ALA A C 2450 ATOM 395 O O . ALA A 2450 433 . 36.535 37.320 28.732 1.00 43.16 ? ? ? ? ? . 433 ALA A O 2450 ATOM 396 C CB . ALA A 2450 433 . 34.553 38.445 26.521 1.00 46.22 ? ? ? ? ? . 433 ALA A CB 2450 ATOM 397 N N . ARG A 2450 434 . 35.295 35.641 27.800 1.00 38.51 ? ? ? ? ? . 434 ARG A N 2450 ATOM 398 C CA . ARG A 2450 434 . 36.369 34.639 28.001 1.00 39.80 ? ? ? ? ? . 434 ARG A CA 2450 ATOM 399 C C . ARG A 2450 434 . 36.563 33.821 26.721 1.00 40.36 ? ? ? ? ? . 434 ARG A C 2450 ATOM 400 O O . ARG A 2450 434 . 35.556 33.428 26.113 1.00 39.11 ? ? ? ? ? . 434 ARG A O 2450 ATOM 401 C CB . ARG A 2450 434 . 36.037 33.731 29.187 1.00 42.13 ? ? ? ? ? . 434 ARG A CB 2450 ATOM 402 C CG . ARG A 2450 434 . 36.313 34.369 30.539 1.00 50.85 ? ? ? ? ? . 434 ARG A CG 2450 ATOM 403 C CD . ARG A 2450 434 . 36.466 33.328 31.627 1.00 59.60 ? ? ? ? ? . 434 ARG A CD 2450 ATOM 404 N NE . ARG A 2450 434 . 36.691 33.929 32.931 1.00 62.17 ? ? ? ? ? . 434 ARG A NE 2450 ATOM 405 C CZ . ARG A 2450 434 . 36.799 33.242 34.060 1.00 68.03 ? ? ? ? ? . 434 ARG A CZ 2450 ATOM 406 N NH1 . ARG A 2450 434 . 36.759 31.922 34.034 1.00 62.22 ? ? ? ? ? 1+ 434 ARG A NH1 2450 ATOM 407 N NH2 . ARG A 2450 434 . 36.944 33.877 35.209 1.00 62.98 ? ? ? ? ? . 434 ARG A NH2 2450 ATOM 408 N N . ALA A 2450 435 . 37.817 33.592 26.331 1.00 36.83 ? ? ? ? ? . 435 ALA A N 2450 ATOM 409 C CA . ALA A 2450 435 . 38.093 32.715 25.185 1.00 38.45 ? ? ? ? ? . 435 ALA A CA 2450 ATOM 410 C C . ALA A 2450 435 . 37.759 31.245 25.515 1.00 38.83 ? ? ? ? ? . 435 ALA A C 2450 ATOM 411 O O . ALA A 2450 435 . 37.994 30.760 26.660 1.00 38.94 ? ? ? ? ? . 435 ALA A O 2450 ATOM 412 C CB . ALA A 2450 435 . 39.547 32.814 24.815 1.00 38.85 ? ? ? ? ? . 435 ALA A CB 2450 ATOM 413 N N . ARG A 2450 436 . 37.348 30.476 24.474 1.00 35.92 ? ? ? ? ? . 436 ARG A N 2450 ATOM 414 C CA . ARG A 2450 436 . 37.357 29.037 24.586 1.00 37.78 ? ? ? ? ? . 436 ARG A CA 2450 ATOM 415 C C . ARG A 2450 436 . 38.050 28.482 23.356 1.00 37.98 ? ? ? ? ? . 436 ARG A C 2450 ATOM 416 O O . ARG A 2450 436 . 37.774 28.952 22.259 1.00 44.68 ? ? ? ? ? . 436 ARG A O 2450 ATOM 417 C CB . ARG A 2450 436 . 35.914 28.560 24.598 1.00 34.32 ? ? ? ? ? . 436 ARG A CB 2450 ATOM 418 C CG . ARG A 2450 436 . 35.126 28.832 25.886 1.00 39.86 ? ? ? ? ? . 436 ARG A CG 2450 ATOM 419 C CD . ARG A 2450 436 . 35.593 27.904 27.000 1.00 40.05 ? ? ? ? ? . 436 ARG A CD 2450 ATOM 420 N NE . ARG A 2450 436 . 35.004 28.154 28.323 1.00 40.30 ? ? ? ? ? . 436 ARG A NE 2450 ATOM 421 C CZ . ARG A 2450 436 . 35.574 28.834 29.311 1.00 40.91 ? ? ? ? ? . 436 ARG A CZ 2450 ATOM 422 N NH1 . ARG A 2450 436 . 36.674 29.546 29.112 1.00 38.84 ? ? ? ? ? 1+ 436 ARG A NH1 2450 ATOM 423 N NH2 . ARG A 2450 436 . 35.002 28.826 30.498 1.00 41.46 ? ? ? ? ? . 436 ARG A NH2 2450 ATOM 424 N N . THR A 2450 437 . 39.010 27.574 23.555 1.00 37.21 ? ? ? ? ? . 437 THR A N 2450 ATOM 425 C CA . THR A 2450 437 . 39.953 27.179 22.462 1.00 36.28 ? ? ? ? ? . 437 THR A CA 2450 ATOM 426 C C . THR A 2450 437 . 39.697 25.716 22.128 1.00 40.42 ? ? ? ? ? . 437 THR A C 2450 ATOM 427 O O . THR A 2450 437 . 38.944 25.000 22.802 1.00 38.22 ? ? ? ? ? . 437 THR A O 2450 ATOM 428 C CB . THR A 2450 437 . 41.385 27.514 22.877 1.00 40.92 ? ? ? ? ? . 437 THR A CB 2450 ATOM 429 C CG2 . THR A 2450 437 . 41.601 29.005 22.909 1.00 38.21 ? ? ? ? ? . 437 THR A CG2 2450 ATOM 430 O OG1 . THR A 2450 437 . 41.574 26.908 24.151 1.00 39.57 ? ? ? ? ? . 437 THR A OG1 2450 ATOM 431 N N . MET A 2450 438 . 40.444 25.218 21.155 1.00 38.95 ? ? ? ? ? . 438 MET A N 2450 ATOM 432 C CA . MET A 2450 438 . 40.488 23.820 20.783 1.00 38.86 ? ? ? ? ? . 438 MET A CA 2450 ATOM 433 C C . MET A 2450 438 . 39.069 23.264 20.551 1.00 38.65 ? ? ? ? ? . 438 MET A C 2450 ATOM 434 O O . MET A 2450 438 . 38.751 22.152 21.015 1.00 40.62 ? ? ? ? ? . 438 MET A O 2450 ATOM 435 C CB . MET A 2450 438 . 41.208 22.989 21.847 1.00 42.04 ? ? ? ? ? . 438 MET A CB 2450 ATOM 436 C CG . MET A 2450 438 . 42.643 23.301 21.960 1.00 45.72 ? ? ? ? ? . 438 MET A CG 2450 ATOM 437 S SD . MET A 2450 438 . 43.542 22.928 20.318 1.00 51.62 ? ? ? ? ? . 438 MET A SD 2450 ATOM 438 C CE . MET A 2450 438 . 43.795 21.166 20.419 1.00 56.52 ? ? ? ? ? . 438 MET A CE 2450 ATOM 439 N N . ALA A 2450 439 . 38.292 23.956 19.686 1.00 36.90 ? ? ? ? ? . 439 ALA A N 2450 ATOM 440 C CA . ALA A 2450 439 . 36.987 23.494 19.248 1.00 36.26 ? ? ? ? ? . 439 ALA A CA 2450 ATOM 441 C C . ALA A 2450 439 . 36.139 23.071 20.449 1.00 41.19 ? ? ? ? ? . 439 ALA A C 2450 ATOM 442 O O . ALA A 2450 439 . 35.442 22.018 20.468 1.00 36.96 ? ? ? ? ? . 439 ALA A O 2450 ATOM 443 C CB . ALA A 2450 439 . 37.114 22.329 18.271 1.00 39.62 ? ? ? ? ? . 439 ALA A CB 2450 ATOM 444 N N . TYR A 2450 440 . 36.045 23.972 21.426 1.00 38.54 ? ? ? ? ? . 440 TYR A N 2450 ATOM 445 C CA . TYR A 2450 440 . 35.368 23.703 22.699 1.00 34.75 ? ? ? ? ? . 440 TYR A CA 2450 ATOM 446 C C . TYR A 2450 440 . 33.908 23.392 22.491 1.00 40.27 ? ? ? ? ? . 440 TYR A C 2450 ATOM 447 O O . TYR A 2450 440 . 33.461 22.470 23.147 1.00 38.49 ? ? ? ? ? . 440 TYR A O 2450 ATOM 448 C CB . TYR A 2450 440 . 35.495 24.959 23.600 1.00 36.81 ? ? ? ? ? . 440 TYR A CB 2450 ATOM 449 C CG . TYR A 2450 440 . 34.851 24.807 24.943 1.00 35.70 ? ? ? ? ? . 440 TYR A CG 2450 ATOM 450 C CD1 . TYR A 2450 440 . 35.584 24.274 25.993 1.00 34.40 ? ? ? ? ? . 440 TYR A CD1 2450 ATOM 451 C CD2 . TYR A 2450 440 . 33.583 25.263 25.176 1.00 37.61 ? ? ? ? ? . 440 TYR A CD2 2450 ATOM 452 C CE1 . TYR A 2450 440 . 34.977 24.122 27.236 1.00 36.97 ? ? ? ? ? . 440 TYR A CE1 2450 ATOM 453 C CE2 . TYR A 2450 440 . 32.978 25.143 26.435 1.00 38.87 ? ? ? ? ? . 440 TYR A CE2 2450 ATOM 454 C CZ . TYR A 2450 440 . 33.673 24.516 27.443 1.00 41.45 ? ? ? ? ? . 440 TYR A CZ 2450 ATOM 455 O OH . TYR A 2450 440 . 33.158 24.391 28.679 1.00 39.69 ? ? ? ? ? . 440 TYR A OH 2450 ATOM 456 N N . PHE A 2450 441 . 33.248 24.152 21.617 1.00 36.46 ? ? ? ? ? . 441 PHE A N 2450 ATOM 457 C CA . PHE A 2450 441 . 31.891 23.952 21.271 1.00 37.66 ? ? ? ? ? . 441 PHE A CA 2450 ATOM 458 C C . PHE A 2450 441 . 31.694 22.984 20.096 1.00 44.12 ? ? ? ? ? . 441 PHE A C 2450 ATOM 459 O O . PHE A 2450 441 . 30.540 22.838 19.656 1.00 46.85 ? ? ? ? ? . 441 PHE A O 2450 ATOM 460 C CB . PHE A 2450 441 . 31.252 25.303 20.929 1.00 38.42 ? ? ? ? ? . 441 PHE A CB 2450 ATOM 461 C CG . PHE A 2450 441 . 31.257 26.291 22.082 1.00 38.80 ? ? ? ? ? . 441 PHE A CG 2450 ATOM 462 C CD1 . PHE A 2450 441 . 30.435 26.160 23.185 1.00 39.54 ? ? ? ? ? . 441 PHE A CD1 2450 ATOM 463 C CD2 . PHE A 2450 441 . 32.182 27.327 22.106 1.00 35.84 ? ? ? ? ? . 441 PHE A CD2 2450 ATOM 464 C CE1 . PHE A 2450 441 . 30.480 27.084 24.226 1.00 36.29 ? ? ? ? ? . 441 PHE A CE1 2450 ATOM 465 C CE2 . PHE A 2450 441 . 32.210 28.214 23.158 1.00 35.69 ? ? ? ? ? . 441 PHE A CE2 2450 ATOM 466 C CZ . PHE A 2450 441 . 31.406 28.087 24.233 1.00 38.11 ? ? ? ? ? . 441 PHE A CZ 2450 ATOM 467 N N . GLY A 2450 442 . 32.752 22.377 19.584 1.00 42.01 ? ? ? ? ? . 442 GLY A N 2450 ATOM 468 C CA . GLY A 2450 442 . 32.593 21.608 18.381 1.00 45.41 ? ? ? ? ? . 442 GLY A CA 2450 ATOM 469 C C . GLY A 2450 442 . 33.403 22.215 17.276 1.00 44.70 ? ? ? ? ? . 442 GLY A C 2450 ATOM 470 O O . GLY A 2450 442 . 33.745 23.425 17.272 1.00 41.74 ? ? ? ? ? . 442 GLY A O 2450 ATOM 471 N N . GLU A 2450 443 . 33.721 21.362 16.311 1.00 41.86 ? ? ? ? ? . 443 GLU A N 2450 ATOM 472 C CA . GLU A 2450 443 . 34.519 21.775 15.169 1.00 42.68 ? ? ? ? ? . 443 GLU A CA 2450 ATOM 473 C C . GLU A 2450 443 . 33.618 22.428 14.167 1.00 41.96 ? ? ? ? ? . 443 GLU A C 2450 ATOM 474 O O . GLU A 2450 443 . 32.519 21.930 13.876 1.00 41.29 ? ? ? ? ? . 443 GLU A O 2450 ATOM 475 C CB . GLU A 2450 443 . 35.262 20.587 14.537 1.00 44.50 ? ? ? ? ? . 443 GLU A CB 2450 ATOM 476 C CG . GLU A 2450 443 . 36.282 19.953 15.502 1.00 44.19 ? ? ? ? ? . 443 GLU A CG 2450 ATOM 477 C CD . GLU A 2450 443 . 37.191 18.904 14.884 1.00 51.73 ? ? ? ? ? . 443 GLU A CD 2450 ATOM 478 O OE1 . GLU A 2450 443 . 37.192 18.843 13.654 1.00 54.87 ? ? ? ? ? . 443 GLU A OE1 2450 ATOM 479 O OE2 . GLU A 2450 443 . 37.997 18.268 15.616 1.00 53.59 ? ? ? ? ? 1- 443 GLU A OE2 2450 ATOM 480 N N . GLY A 2450 444 . 34.157 23.409 13.463 1.00 40.85 ? ? ? ? ? . 444 GLY A N 2450 ATOM 481 C CA . GLY A 2450 444 . 33.420 23.982 12.305 1.00 42.21 ? ? ? ? ? . 444 GLY A CA 2450 ATOM 482 C C . GLY A 2450 444 . 33.790 23.214 11.034 1.00 46.19 ? ? ? ? ? . 444 GLY A C 2450 ATOM 483 O O . GLY A 2450 444 . 34.441 22.175 11.133 1.00 43.50 ? ? ? ? ? . 444 GLY A O 2450 ATOM 484 N N . LYS A 2450 445 . 33.227 23.630 9.924 1.00 46.09 ? ? ? ? ? . 445 LYS A N 2450 ATOM 485 C CA . LYS A 2450 445 . 33.595 22.995 8.638 1.00 57.49 ? ? ? ? ? . 445 LYS A CA 2450 ATOM 486 C C . LYS A 2450 445 . 33.894 24.107 7.635 1.00 56.73 ? ? ? ? ? . 445 LYS A C 2450 ATOM 487 O O . LYS A 2450 445 . 33.641 25.287 7.929 1.00 53.99 ? ? ? ? ? . 445 LYS A O 2450 ATOM 488 C CB . LYS A 2450 445 . 32.516 22.016 8.199 1.00 60.00 ? ? ? ? ? . 445 LYS A CB 2450 ATOM 489 C CG . LYS A 2450 445 . 31.111 22.557 8.100 1.00 69.62 ? ? ? ? ? . 445 LYS A CG 2450 ATOM 490 C CD . LYS A 2450 445 . 30.070 21.452 8.289 1.00 82.90 ? ? ? ? ? . 445 LYS A CD 2450 ATOM 491 C CE . LYS A 2450 445 . 28.672 21.988 8.547 1.00 86.59 ? ? ? ? ? . 445 LYS A CE 2450 ATOM 492 N NZ . LYS A 2450 445 . 28.358 23.177 7.710 1.00 81.73 ? ? ? ? ? 1+ 445 LYS A NZ 2450 ATOM 493 N N . GLY A 2450 446 . 34.441 23.739 6.478 1.00 58.21 ? ? ? ? ? . 446 GLY A N 2450 ATOM 494 C CA . GLY A 2450 446 . 34.719 24.801 5.487 1.00 63.02 ? ? ? ? ? . 446 GLY A CA 2450 ATOM 495 C C . GLY A 2450 446 . 36.013 25.547 5.817 1.00 57.83 ? ? ? ? ? . 446 GLY A C 2450 ATOM 496 O O . GLY A 2450 446 . 36.901 24.952 6.411 1.00 59.05 ? ? ? ? ? . 446 GLY A O 2450 ATOM 497 N N . PRO A 2450 447 . 36.203 26.789 5.324 1.00 51.78 ? ? ? ? ? . 447 PRO A N 2450 ATOM 498 C CA . PRO A 2450 447 . 37.488 27.447 5.406 1.00 50.10 ? ? ? ? ? . 447 PRO A CA 2450 ATOM 499 C C . PRO A 2450 447 . 37.826 27.832 6.836 1.00 45.76 ? ? ? ? ? . 447 PRO A C 2450 ATOM 500 O O . PRO A 2450 447 . 36.915 28.100 7.638 1.00 48.02 ? ? ? ? ? . 447 PRO A O 2450 ATOM 501 C CB . PRO A 2450 447 . 37.401 28.692 4.526 1.00 53.40 ? ? ? ? ? . 447 PRO A CB 2450 ATOM 502 C CG . PRO A 2450 447 . 36.033 28.649 3.906 1.00 55.83 ? ? ? ? ? . 447 PRO A CG 2450 ATOM 503 C CD . PRO A 2450 447 . 35.221 27.557 4.554 1.00 51.21 ? ? ? ? ? . 447 PRO A CD 2450 ATOM 504 N N . ILE A 2450 448 . 39.112 27.859 7.105 1.00 47.38 ? ? ? ? ? . 448 ILE A N 2450 ATOM 505 C CA . ILE A 2450 448 . 39.636 28.543 8.284 1.00 47.52 ? ? ? ? ? . 448 ILE A CA 2450 ATOM 506 C C . ILE A 2450 448 . 40.162 29.884 7.810 1.00 47.60 ? ? ? ? ? . 448 ILE A C 2450 ATOM 507 O O . ILE A 2450 448 . 41.122 29.946 7.077 1.00 47.23 ? ? ? ? ? . 448 ILE A O 2450 ATOM 508 C CB . ILE A 2450 448 . 40.693 27.702 8.988 1.00 49.21 ? ? ? ? ? . 448 ILE A CB 2450 ATOM 509 C CG1 . ILE A 2450 448 . 40.126 26.320 9.324 1.00 53.05 ? ? ? ? ? . 448 ILE A CG1 2450 ATOM 510 C CG2 . ILE A 2450 448 . 41.232 28.434 10.225 1.00 50.46 ? ? ? ? ? . 448 ILE A CG2 2450 ATOM 511 C CD1 . ILE A 2450 448 . 41.179 25.398 9.914 1.00 55.11 ? ? ? ? ? . 448 ILE A CD1 2450 ATOM 512 N N . HIS A 2450 449 . 39.407 30.935 8.069 1.00 44.30 ? ? ? ? ? . 449 HIS A N 2450 ATOM 513 C CA . HIS A 2450 449 . 39.633 32.222 7.409 1.00 46.37 ? ? ? ? ? . 449 HIS A CA 2450 ATOM 514 C C . HIS A 2450 449 . 40.812 32.963 8.014 1.00 49.34 ? ? ? ? ? . 449 HIS A C 2450 ATOM 515 O O . HIS A 2450 449 . 41.466 33.753 7.259 1.00 50.67 ? ? ? ? ? . 449 HIS A O 2450 ATOM 516 C CB . HIS A 2450 449 . 38.404 33.108 7.475 1.00 45.36 ? ? ? ? ? . 449 HIS A CB 2450 ATOM 517 C CG . HIS A 2450 449 . 37.341 32.733 6.533 1.00 46.02 ? ? ? ? ? . 449 HIS A CG 2450 ATOM 518 C CD2 . HIS A 2450 449 . 35.992 32.693 6.672 1.00 41.45 ? ? ? ? ? . 449 HIS A CD2 2450 ATOM 519 N ND1 . HIS A 2450 449 . 37.618 32.457 5.225 1.00 46.00 ? ? ? ? ? . 449 HIS A ND1 2450 ATOM 520 C CE1 . HIS A 2450 449 . 36.499 32.228 4.577 1.00 45.90 ? ? ? ? ? . 449 HIS A CE1 2450 ATOM 521 N NE2 . HIS A 2450 449 . 35.451 32.367 5.464 1.00 44.08 ? ? ? ? ? . 449 HIS A NE2 2450 ATOM 522 N N . MET A 2450 450 . 41.042 32.827 9.326 1.00 48.41 ? ? ? ? ? . 450 MET A N 2450 ATOM 523 C CA . MET A 2450 450 . 42.096 33.613 9.957 1.00 57.44 ? ? ? ? ? . 450 MET A CA 2450 ATOM 524 C C . MET A 2450 450 . 42.847 32.679 10.910 1.00 60.58 ? ? ? ? ? . 450 MET A C 2450 ATOM 525 O O . MET A 2450 450 . 42.222 31.803 11.549 1.00 51.29 ? ? ? ? ? . 450 MET A O 2450 ATOM 526 C CB . MET A 2450 450 . 41.545 34.834 10.718 1.00 58.91 ? ? ? ? ? . 450 MET A CB 2450 ATOM 527 C CG . MET A 2450 450 . 40.497 35.605 9.952 1.00 62.12 ? ? ? ? ? . 450 MET A CG 2450 ATOM 528 S SD . MET A 2450 450 . 39.604 36.876 10.935 1.00 65.69 ? ? ? ? ? . 450 MET A SD 2450 ATOM 529 C CE . MET A 2450 450 . 38.866 37.830 9.615 1.00 74.41 ? ? ? ? ? . 450 MET A CE 2450 ATOM 530 N N . ASP A 2450 451 . 44.158 32.883 10.967 1.00 63.24 ? ? ? ? ? . 451 ASP A N 2450 ATOM 531 C CA . ASP A 2450 451 . 45.181 31.957 11.515 1.00 73.70 ? ? ? ? ? . 451 ASP A CA 2450 ATOM 532 C C . ASP A 2450 451 . 45.841 32.564 12.745 1.00 73.74 ? ? ? ? ? . 451 ASP A C 2450 ATOM 533 O O . ASP A 2450 451 . 46.064 31.824 13.741 1.00 86.20 ? ? ? ? ? . 451 ASP A O 2450 ATOM 534 C CB . ASP A 2450 451 . 46.332 31.687 10.536 1.00 91.17 ? ? ? ? ? . 451 ASP A CB 2450 ATOM 535 C CG . ASP A 2450 451 . 46.016 30.721 9.408 1.00 103.44 ? ? ? ? ? . 451 ASP A CG 2450 ATOM 536 O OD1 . ASP A 2450 451 . 45.581 29.574 9.719 1.00 112.78 ? ? ? ? ? . 451 ASP A OD1 2450 ATOM 537 O OD2 . ASP A 2450 451 . 46.190 31.133 8.225 1.00 117.86 ? ? ? ? ? 1- 451 ASP A OD2 2450 ATOM 538 N N . ASN A 2450 452 . 46.126 33.872 12.708 1.00 68.17 ? ? ? ? ? . 452 ASN A N 2450 ATOM 539 C CA . ASN A 2450 452 . 46.822 34.509 13.804 1.00 74.90 ? ? ? ? ? . 452 ASN A CA 2450 ATOM 540 C C . ASN A 2450 452 . 46.432 35.970 13.893 1.00 74.51 ? ? ? ? ? . 452 ASN A C 2450 ATOM 541 O O . ASN A 2450 452 . 47.131 36.836 13.396 1.00 80.68 ? ? ? ? ? . 452 ASN A O 2450 ATOM 542 C CB . ASN A 2450 452 . 48.350 34.464 13.646 1.00 80.97 ? ? ? ? ? . 452 ASN A CB 2450 ATOM 543 C CG . ASN A 2450 452 . 48.998 33.565 14.674 1.00 88.17 ? ? ? ? ? . 452 ASN A CG 2450 ATOM 544 N ND2 . ASN A 2450 452 . 49.172 32.305 14.321 1.00 89.07 ? ? ? ? ? . 452 ASN A ND2 2450 ATOM 545 O OD1 . ASN A 2450 452 . 49.328 34.010 15.775 1.00 99.55 ? ? ? ? ? . 452 ASN A OD1 2450 ATOM 546 N N . VAL A 2450 453 . 45.365 36.219 14.628 1.00 63.67 ? ? ? ? ? . 453 VAL A N 2450 ATOM 547 C CA . VAL A 2450 453 . 44.846 37.544 14.821 1.00 65.70 ? ? ? ? ? . 453 VAL A CA 2450 ATOM 548 C C . VAL A 2450 453 . 45.589 38.129 16.021 1.00 61.30 ? ? ? ? ? . 453 VAL A C 2450 ATOM 549 O O . VAL A 2450 453 . 45.745 37.377 16.985 1.00 57.33 ? ? ? ? ? . 453 VAL A O 2450 ATOM 550 C CB . VAL A 2450 453 . 43.327 37.440 15.092 1.00 65.55 ? ? ? ? ? . 453 VAL A CB 2450 ATOM 551 C CG1 . VAL A 2450 453 . 42.688 38.794 15.299 1.00 64.59 ? ? ? ? ? . 453 VAL A CG1 2450 ATOM 552 C CG2 . VAL A 2450 453 . 42.603 36.674 13.997 1.00 73.45 ? ? ? ? ? . 453 VAL A CG2 2450 ATOM 553 N N . LYS A 2450 454 . 46.044 39.391 15.939 1.00 67.96 ? ? ? ? ? . 454 LYS A N 2450 ATOM 554 C CA . LYS A 2450 454 . 46.594 40.148 17.070 1.00 69.90 ? ? ? ? ? . 454 LYS A CA 2450 ATOM 555 C C . LYS A 2450 454 . 45.594 41.240 17.455 1.00 65.39 ? ? ? ? ? . 454 LYS A C 2450 ATOM 556 O O . LYS A 2450 454 . 45.213 42.024 16.639 1.00 69.11 ? ? ? ? ? . 454 LYS A O 2450 ATOM 557 C CB . LYS A 2450 454 . 47.945 40.794 16.748 1.00 80.30 ? ? ? ? ? . 454 LYS A CB 2450 ATOM 558 C CG . LYS A 2450 454 . 48.701 41.339 17.960 1.00 87.70 ? ? ? ? ? . 454 LYS A CG 2450 ATOM 559 C CD . LYS A 2450 454 . 50.154 41.735 17.670 1.00 98.11 ? ? ? ? ? . 454 LYS A CD 2450 ATOM 560 C CE . LYS A 2450 454 . 50.802 42.448 18.833 1.00 103.14 ? ? ? ? ? . 454 LYS A CE 2450 ATOM 561 N NZ . LYS A 2450 454 . 52.284 42.460 18.729 1.00 113.88 ? ? ? ? ? 1+ 454 LYS A NZ 2450 ATOM 562 N N . CYS A 2450 455 . 45.098 41.196 18.688 1.00 67.37 ? ? ? ? ? . 455 CYS A N 2450 ATOM 563 C CA . CYS A 2450 455 . 44.117 42.157 19.224 1.00 65.25 ? ? ? ? ? . 455 CYS A CA 2450 ATOM 564 C C . CYS A 2450 455 . 44.790 42.775 20.469 1.00 65.26 ? ? ? ? ? . 455 CYS A C 2450 ATOM 565 O O . CYS A 2450 455 . 45.417 42.049 21.263 1.00 66.55 ? ? ? ? ? . 455 CYS A O 2450 ATOM 566 C CB . CYS A 2450 455 . 42.790 41.466 19.610 1.00 60.76 ? ? ? ? ? . 455 CYS A CB 2450 ATOM 567 S SG . CYS A 2450 455 . 41.719 40.936 18.206 1.00 71.44 ? ? ? ? ? . 455 CYS A SG 2450 ATOM 568 N N . THR A 2450 456 . 44.608 44.077 20.698 1.00 68.63 ? ? ? ? ? . 456 THR A N 2450 ATOM 569 C CA . THR A 2450 456 . 44.907 44.676 22.013 1.00 64.47 ? ? ? ? ? . 456 THR A CA 2450 ATOM 570 C C . THR A 2450 456 . 43.830 44.287 23.042 1.00 64.87 ? ? ? ? ? . 456 THR A C 2450 ATOM 571 O O . THR A 2450 456 . 44.142 44.181 24.199 1.00 63.43 ? ? ? ? ? . 456 THR A O 2450 ATOM 572 C CB . THR A 2450 456 . 44.976 46.203 21.932 1.00 67.56 ? ? ? ? ? . 456 THR A CB 2450 ATOM 573 C CG2 . THR A 2450 456 . 45.923 46.695 20.859 1.00 73.80 ? ? ? ? ? . 456 THR A CG2 2450 ATOM 574 O OG1 . THR A 2450 456 . 43.619 46.632 21.744 1.00 68.38 ? ? ? ? ? . 456 THR A OG1 2450 ATOM 575 N N . GLY A 2450 457 . 42.573 44.025 22.587 1.00 62.63 ? ? ? ? ? . 457 GLY A N 2450 ATOM 576 C CA . GLY A 2450 457 . 41.452 43.811 23.490 1.00 57.36 ? ? ? ? ? . 457 GLY A CA 2450 ATOM 577 C C . GLY A 2450 457 . 40.491 44.975 23.541 1.00 59.36 ? ? ? ? ? . 457 GLY A C 2450 ATOM 578 O O . GLY A 2450 457 . 39.344 44.824 24.008 1.00 60.60 ? ? ? ? ? . 457 GLY A O 2450 ATOM 579 N N . ASN A 2450 458 . 40.907 46.115 22.983 1.00 61.46 ? ? ? ? ? . 458 ASN A N 2450 ATOM 580 C CA . ASN A 2450 458 . 40.158 47.346 23.036 1.00 66.75 ? ? ? ? ? . 458 ASN A CA 2450 ATOM 581 C C . ASN A 2450 458 . 39.352 47.607 21.757 1.00 68.35 ? ? ? ? ? . 458 ASN A C 2450 ATOM 582 O O . ASN A 2450 458 . 38.564 48.524 21.751 1.00 73.50 ? ? ? ? ? . 458 ASN A O 2450 ATOM 583 C CB . ASN A 2450 458 . 41.099 48.528 23.324 1.00 72.89 ? ? ? ? ? . 458 ASN A CB 2450 ATOM 584 C CG . ASN A 2450 458 . 41.764 48.364 24.669 1.00 74.81 ? ? ? ? ? . 458 ASN A CG 2450 ATOM 585 N ND2 . ASN A 2450 458 . 43.047 48.681 24.782 1.00 78.48 ? ? ? ? ? . 458 ASN A ND2 2450 ATOM 586 O OD1 . ASN A 2450 458 . 41.118 47.891 25.595 1.00 83.01 ? ? ? ? ? . 458 ASN A OD1 2450 ATOM 587 N N . GLU A 2450 459 . 39.566 46.821 20.696 1.00 65.57 ? ? ? ? ? . 459 GLU A N 2450 ATOM 588 C CA . GLU A 2450 459 . 38.965 47.102 19.372 1.00 63.50 ? ? ? ? ? . 459 GLU A CA 2450 ATOM 589 C C . GLU A 2450 459 . 37.450 46.949 19.470 1.00 64.83 ? ? ? ? ? . 459 GLU A C 2450 ATOM 590 O O . GLU A 2450 459 . 36.939 46.110 20.260 1.00 60.11 ? ? ? ? ? . 459 GLU A O 2450 ATOM 591 C CB . GLU A 2450 459 . 39.515 46.146 18.309 1.00 63.87 ? ? ? ? ? . 459 GLU A CB 2450 ATOM 592 C CG . GLU A 2450 459 . 41.004 46.268 18.054 1.00 64.11 ? ? ? ? ? . 459 GLU A CG 2450 ATOM 593 C CD . GLU A 2450 459 . 42.001 45.495 18.896 1.00 65.86 ? ? ? ? ? . 459 GLU A CD 2450 ATOM 594 O OE1 . GLU A 2450 459 . 41.648 44.967 19.963 1.00 60.54 ? ? ? ? ? . 459 GLU A OE1 2450 ATOM 595 O OE2 . GLU A 2450 459 . 43.152 45.411 18.470 1.00 68.17 ? ? ? ? ? 1- 459 GLU A OE2 2450 ATOM 596 N N . LYS A 2450 460 . 36.727 47.732 18.653 1.00 65.20 ? ? ? ? ? . 460 LYS A N 2450 ATOM 597 C CA . LYS A 2450 460 . 35.272 47.678 18.604 1.00 69.95 ? ? ? ? ? . 460 LYS A CA 2450 ATOM 598 C C . LYS A 2450 460 . 34.846 46.580 17.630 1.00 64.51 ? ? ? ? ? . 460 LYS A C 2450 ATOM 599 O O . LYS A 2450 460 . 33.686 46.261 17.560 1.00 67.02 ? ? ? ? ? . 460 LYS A O 2450 ATOM 600 C CB . LYS A 2450 460 . 34.671 49.037 18.213 1.00 79.17 ? ? ? ? ? . 460 LYS A CB 2450 ATOM 601 C CG . LYS A 2450 460 . 34.598 50.054 19.356 1.00 87.96 ? ? ? ? ? . 460 LYS A CG 2450 ATOM 602 C CD . LYS A 2450 460 . 34.105 51.427 18.915 1.00 96.67 ? ? ? ? ? . 460 LYS A CD 2450 ATOM 603 C CE . LYS A 2450 460 . 34.435 52.526 19.904 1.00 97.91 ? ? ? ? ? . 460 LYS A CE 2450 ATOM 604 N NZ . LYS A 2450 460 . 33.853 53.821 19.476 1.00 105.56 ? ? ? ? ? 1+ 460 LYS A NZ 2450 ATOM 605 N N . ALA A 2450 461 . 35.778 46.062 16.832 1.00 63.51 ? ? ? ? ? . 461 ALA A N 2450 ATOM 606 C CA . ALA A 2450 461 . 35.387 45.139 15.742 1.00 61.34 ? ? ? ? ? . 461 ALA A CA 2450 ATOM 607 C C . ALA A 2450 461 . 36.602 44.315 15.349 1.00 61.70 ? ? ? ? ? . 461 ALA A C 2450 ATOM 608 O O . ALA A 2450 461 . 37.728 44.806 15.379 1.00 56.59 ? ? ? ? ? . 461 ALA A O 2450 ATOM 609 C CB . ALA A 2450 461 . 34.841 45.875 14.555 1.00 66.25 ? ? ? ? ? . 461 ALA A CB 2450 ATOM 610 N N . LEU A 2450 462 . 36.342 43.064 14.959 1.00 54.11 ? ? ? ? ? . 462 LEU A N 2450 ATOM 611 C CA . LEU A 2450 462 . 37.380 42.119 14.602 1.00 51.34 ? ? ? ? ? . 462 LEU A CA 2450 ATOM 612 C C . LEU A 2450 462 . 38.243 42.700 13.474 1.00 56.96 ? ? ? ? ? . 462 LEU A C 2450 ATOM 613 O O . LEU A 2450 462 . 39.471 42.517 13.495 1.00 58.32 ? ? ? ? ? . 462 LEU A O 2450 ATOM 614 C CB . LEU A 2450 462 . 36.723 40.826 14.133 1.00 56.19 ? ? ? ? ? . 462 LEU A CB 2450 ATOM 615 C CG . LEU A 2450 462 . 37.701 39.726 13.723 1.00 55.92 ? ? ? ? ? . 462 LEU A CG 2450 ATOM 616 C CD1 . LEU A 2450 462 . 38.641 39.380 14.845 1.00 54.26 ? ? ? ? ? . 462 LEU A CD1 2450 ATOM 617 C CD2 . LEU A 2450 462 . 36.920 38.514 13.241 1.00 58.90 ? ? ? ? ? . 462 LEU A CD2 2450 ATOM 618 N N . ALA A 2450 463 . 37.601 43.428 12.564 1.00 57.91 ? ? ? ? ? . 463 ALA A N 2450 ATOM 619 C CA . ALA A 2450 463 . 38.263 44.022 11.364 1.00 65.50 ? ? ? ? ? . 463 ALA A CA 2450 ATOM 620 C C . ALA A 2450 463 . 39.401 44.940 11.766 1.00 70.01 ? ? ? ? ? . 463 ALA A C 2450 ATOM 621 O O . ALA A 2450 463 . 40.315 45.186 10.957 1.00 74.03 ? ? ? ? ? . 463 ALA A O 2450 ATOM 622 C CB . ALA A 2450 463 . 37.246 44.779 10.535 1.00 68.15 ? ? ? ? ? . 463 ALA A CB 2450 ATOM 623 N N . ASP A 2450 464 . 39.306 45.537 12.958 1.00 69.36 ? ? ? ? ? . 464 ASP A N 2450 ATOM 624 C CA . ASP A 2450 464 . 40.323 46.523 13.430 1.00 68.91 ? ? ? ? ? . 464 ASP A CA 2450 ATOM 625 C C . ASP A 2450 464 . 41.495 45.795 14.080 1.00 70.24 ? ? ? ? ? . 464 ASP A C 2450 ATOM 626 O O . ASP A 2450 464 . 42.489 46.388 14.411 1.00 67.92 ? ? ? ? ? . 464 ASP A O 2450 ATOM 627 C CB . ASP A 2450 464 . 39.725 47.522 14.427 1.00 71.47 ? ? ? ? ? . 464 ASP A CB 2450 ATOM 628 C CG . ASP A 2450 464 . 38.562 48.314 13.874 1.00 75.41 ? ? ? ? ? . 464 ASP A CG 2450 ATOM 629 O OD1 . ASP A 2450 464 . 38.537 48.488 12.668 1.00 77.46 ? ? ? ? ? . 464 ASP A OD1 2450 ATOM 630 O OD2 . ASP A 2450 464 . 37.653 48.681 14.647 1.00 83.89 ? ? ? ? ? 1- 464 ASP A OD2 2450 ATOM 631 N N . CYS A 2450 465 . 41.360 44.498 14.372 1.00 68.31 ? ? ? ? ? . 465 CYS A N 2450 ATOM 632 C CA . CYS A 2450 465 . 42.541 43.752 14.860 1.00 68.98 ? ? ? ? ? . 465 CYS A CA 2450 ATOM 633 C C . CYS A 2450 465 . 43.509 43.655 13.687 1.00 72.54 ? ? ? ? ? . 465 CYS A C 2450 ATOM 634 O O . CYS A 2450 465 . 43.130 43.997 12.609 1.00 76.86 ? ? ? ? ? . 465 CYS A O 2450 ATOM 635 C CB . CYS A 2450 465 . 42.157 42.377 15.386 1.00 66.48 ? ? ? ? ? . 465 CYS A CB 2450 ATOM 636 S SG . CYS A 2450 465 . 41.098 42.530 16.841 1.00 62.86 ? ? ? ? ? . 465 CYS A SG 2450 ATOM 637 N N . VAL A 2450 466 . 44.734 43.190 13.920 1.00 75.73 ? ? ? ? ? . 466 VAL A N 2450 ATOM 638 C CA . VAL A 2450 466 . 45.766 43.140 12.860 1.00 85.41 ? ? ? ? ? . 466 VAL A CA 2450 ATOM 639 C C . VAL A 2450 466 . 46.117 41.674 12.612 1.00 87.24 ? ? ? ? ? . 466 VAL A C 2450 ATOM 640 O O . VAL A 2450 466 . 46.176 40.894 13.547 1.00 84.41 ? ? ? ? ? . 466 VAL A O 2450 ATOM 641 C CB . VAL A 2450 466 . 46.998 44.017 13.181 1.00 86.64 ? ? ? ? ? . 466 VAL A CB 2450 ATOM 642 C CG1 . VAL A 2450 466 . 46.608 45.487 13.246 1.00 88.09 ? ? ? ? ? . 466 VAL A CG1 2450 ATOM 643 C CG2 . VAL A 2450 466 . 47.725 43.619 14.458 1.00 87.75 ? ? ? ? ? . 466 VAL A CG2 2450 ATOM 644 N N . LYS A 2450 467 . 46.281 41.298 11.338 1.00 92.20 ? ? ? ? ? . 467 LYS A N 2450 ATOM 645 C CA . LYS A 2450 467 . 46.702 39.940 10.957 1.00 102.08 ? ? ? ? ? . 467 LYS A CA 2450 ATOM 646 C C . LYS A 2450 467 . 48.211 39.832 11.180 1.00 106.12 ? ? ? ? ? . 467 LYS A C 2450 ATOM 647 O O . LYS A 2450 467 . 48.892 40.850 11.272 1.00 110.33 ? ? ? ? ? . 467 LYS A O 2450 ATOM 648 C CB . LYS A 2450 467 . 46.247 39.643 9.524 1.00 111.92 ? ? ? ? ? . 467 LYS A CB 2450 ATOM 649 C CG . LYS A 2450 467 . 44.729 39.694 9.348 1.00 120.25 ? ? ? ? ? . 467 LYS A CG 2450 ATOM 650 C CD . LYS A 2450 467 . 44.230 40.461 8.119 1.00 130.15 ? ? ? ? ? . 467 LYS A CD 2450 ATOM 651 C CE . LYS A 2450 467 . 42.719 40.628 8.107 1.00 130.92 ? ? ? ? ? . 467 LYS A CE 2450 ATOM 652 N NZ . LYS A 2450 467 . 42.214 41.056 6.777 1.00 136.18 ? ? ? ? ? 1+ 467 LYS A NZ 2450 ATOM 653 N N . GLN A 2450 468 . 48.696 38.600 11.358 1.00 110.91 ? ? ? ? ? . 468 GLN A N 2450 ATOM 654 C CA . GLN A 2450 468 . 50.120 38.301 11.578 1.00 119.95 ? ? ? ? ? . 468 GLN A CA 2450 ATOM 655 C C . GLN A 2450 468 . 50.522 37.110 10.704 1.00 125.30 ? ? ? ? ? . 468 GLN A C 2450 ATOM 656 O O . GLN A 2450 468 . 49.785 36.123 10.636 1.00 124.64 ? ? ? ? ? . 468 GLN A O 2450 ATOM 657 C CB . GLN A 2450 468 . 50.404 37.956 13.046 1.00 117.72 ? ? ? ? ? . 468 GLN A CB 2450 ATOM 658 C CG . GLN A 2450 468 . 50.825 39.147 13.899 1.00 119.10 ? ? ? ? ? . 468 GLN A CG 2450 ATOM 659 C CD . GLN A 2450 468 . 50.713 38.843 15.375 1.00 116.96 ? ? ? ? ? . 468 GLN A CD 2450 ATOM 660 N NE2 . GLN A 2450 468 . 51.729 39.230 16.130 1.00 115.37 ? ? ? ? ? . 468 GLN A NE2 2450 ATOM 661 O OE1 . GLN A 2450 468 . 49.735 38.257 15.839 1.00 105.18 ? ? ? ? ? . 468 GLN A OE1 2450 ATOM 662 N N . ASP A 2450 469 . 51.692 37.212 10.053 1.00 134.85 ? ? ? ? ? . 469 ASP A N 2450 ATOM 663 C CA . ASP A 2450 469 . 52.384 36.068 9.437 1.00 141.97 ? ? ? ? ? . 469 ASP A CA 2450 ATOM 664 C C . ASP A 2450 469 . 53.355 35.471 10.466 1.00 147.85 ? ? ? ? ? . 469 ASP A C 2450 ATOM 665 O O . ASP A 2450 469 . 54.574 35.629 10.365 1.00 152.87 ? ? ? ? ? . 469 ASP A O 2450 ATOM 666 C CB . ASP A 2450 469 . 53.083 36.456 8.129 1.00 148.27 ? ? ? ? ? . 469 ASP A CB 2450 ATOM 667 C CG . ASP A 2450 469 . 52.143 36.473 6.937 1.00 146.63 ? ? ? ? ? . 469 ASP A CG 2450 ATOM 668 O OD1 . ASP A 2450 469 . 51.465 35.444 6.722 1.00 140.91 ? ? ? ? ? . 469 ASP A OD1 2450 ATOM 669 O OD2 . ASP A 2450 469 . 52.086 37.515 6.244 1.00 149.33 ? ? ? ? ? 1- 469 ASP A OD2 2450 ATOM 670 N N . ILE A 2450 470 . 52.772 34.797 11.467 1.00 150.53 ? ? ? ? ? . 470 ILE A N 2450 ATOM 671 C CA . ILE A 2450 470 . 53.481 34.060 12.534 1.00 152.53 ? ? ? ? ? . 470 ILE A CA 2450 ATOM 672 C C . ILE A 2450 470 . 53.074 32.578 12.417 1.00 150.05 ? ? ? ? ? . 470 ILE A C 2450 ATOM 673 O O . ILE A 2450 470 . 52.259 32.079 13.193 1.00 143.96 ? ? ? ? ? . 470 ILE A O 2450 ATOM 674 C CB . ILE A 2450 470 . 53.178 34.663 13.934 1.00 149.38 ? ? ? ? ? . 470 ILE A CB 2450 ATOM 675 C CG1 . ILE A 2450 470 . 53.647 36.118 14.054 1.00 149.10 ? ? ? ? ? . 470 ILE A CG1 2450 ATOM 676 C CG2 . ILE A 2450 470 . 53.758 33.804 15.055 1.00 147.00 ? ? ? ? ? . 470 ILE A CG2 2450 ATOM 677 C CD1 . ILE A 2450 470 . 53.135 36.829 15.278 1.00 143.03 ? ? ? ? ? . 470 ILE A CD1 2450 ATOM 678 N N . GLY A 2450 471 . 53.631 31.891 11.412 1.00 152.73 ? ? ? ? ? . 471 GLY A N 2450 ATOM 679 C CA . GLY A 2450 471 . 53.420 30.460 11.191 1.00 150.83 ? ? ? ? ? . 471 GLY A CA 2450 ATOM 680 C C . GLY A 2450 471 . 53.294 30.135 9.711 1.00 157.17 ? ? ? ? ? . 471 GLY A C 2450 ATOM 681 O O . GLY A 2450 471 . 53.074 31.039 8.892 1.00 161.32 ? ? ? ? ? . 471 GLY A O 2450 ATOM 682 N N . ARG A 2450 472 . 53.419 28.834 9.390 1.00 156.86 ? ? ? ? ? . 472 ARG A N 2450 ATOM 683 C CA . ARG A 2450 472 . 53.255 28.261 8.026 1.00 154.41 ? ? ? ? ? . 472 ARG A CA 2450 ATOM 684 C C . ARG A 2450 472 . 51.797 27.820 7.788 1.00 151.44 ? ? ? ? ? . 472 ARG A C 2450 ATOM 685 O O . ARG A 2450 472 . 51.511 27.205 6.753 1.00 146.50 ? ? ? ? ? . 472 ARG A O 2450 ATOM 686 C CB . ARG A 2450 472 . 54.200 27.067 7.845 1.00 152.13 ? ? ? ? ? . 472 ARG A CB 2450 ATOM 687 C CG . ARG A 2450 472 . 54.691 26.838 6.422 1.00 153.16 ? ? ? ? ? . 472 ARG A CG 2450 ATOM 688 C CD . ARG A 2450 472 . 55.782 25.775 6.396 1.00 152.28 ? ? ? ? ? . 472 ARG A CD 2450 ATOM 689 N NE . ARG A 2450 472 . 56.160 25.358 5.050 1.00 155.56 ? ? ? ? ? . 472 ARG A NE 2450 ATOM 690 C CZ . ARG A 2450 472 . 55.443 24.552 4.272 1.00 151.22 ? ? ? ? ? . 472 ARG A CZ 2450 ATOM 691 N NH1 . ARG A 2450 472 . 54.300 24.051 4.710 1.00 142.95 ? ? ? ? ? 1+ 472 ARG A NH1 2450 ATOM 692 N NH2 . ARG A 2450 472 . 55.859 24.269 3.052 1.00 148.72 ? ? ? ? ? . 472 ARG A NH2 2450 ATOM 693 N N . HIS A 2450 473 . 50.908 28.123 8.754 1.00 148.54 ? ? ? ? ? . 473 HIS A N 2450 ATOM 694 C CA . HIS A 2450 473 . 49.454 28.012 8.635 1.00 135.49 ? ? ? ? ? . 473 HIS A CA 2450 ATOM 695 C C . HIS A 2450 473 . 49.095 26.531 8.430 1.00 123.07 ? ? ? ? ? . 473 HIS A C 2450 ATOM 696 O O . HIS A 2450 473 . 48.657 26.128 7.338 1.00 125.67 ? ? ? ? ? . 473 HIS A O 2450 ATOM 697 C CB . HIS A 2450 473 . 48.930 28.972 7.541 1.00 138.26 ? ? ? ? ? . 473 HIS A CB 2450 ATOM 698 C CG . HIS A 2450 473 . 49.389 30.394 7.686 1.00 140.53 ? ? ? ? ? . 473 HIS A CG 2450 ATOM 699 C CD2 . HIS A 2450 473 . 50.280 31.120 6.971 1.00 132.88 ? ? ? ? ? . 473 HIS A CD2 2450 ATOM 700 N ND1 . HIS A 2450 473 . 48.905 31.251 8.682 1.00 143.29 ? ? ? ? ? . 473 HIS A ND1 2450 ATOM 701 C CE1 . HIS A 2450 473 . 49.480 32.435 8.559 1.00 142.48 ? ? ? ? ? . 473 HIS A CE1 2450 ATOM 702 N NE2 . HIS A 2450 473 . 50.331 32.377 7.516 1.00 137.69 ? ? ? ? ? . 473 HIS A NE2 2450 ATOM 703 N N . ASN A 2450 474 . 49.326 25.718 9.476 1.00 101.29 ? ? ? ? ? . 474 ASN A N 2450 ATOM 704 C CA . ASN A 2450 474 . 48.934 24.317 9.471 1.00 93.30 ? ? ? ? ? . 474 ASN A CA 2450 ATOM 705 C C . ASN A 2450 474 . 47.685 24.119 10.351 1.00 77.83 ? ? ? ? ? . 474 ASN A C 2450 ATOM 706 O O . ASN A 2450 474 . 47.575 23.085 10.934 1.00 71.43 ? ? ? ? ? . 474 ASN A O 2450 ATOM 707 C CB . ASN A 2450 474 . 50.094 23.414 9.905 1.00 97.64 ? ? ? ? ? . 474 ASN A CB 2450 ATOM 708 C CG . ASN A 2450 474 . 50.952 22.952 8.743 1.00 113.11 ? ? ? ? ? . 474 ASN A CG 2450 ATOM 709 N ND2 . ASN A 2450 474 . 51.998 22.198 9.039 1.00 118.14 ? ? ? ? ? . 474 ASN A ND2 2450 ATOM 710 O OD1 . ASN A 2450 474 . 50.674 23.255 7.581 1.00 119.97 ? ? ? ? ? . 474 ASN A OD1 2450 ATOM 711 N N . CYS A 2450 475 . 46.747 25.078 10.414 1.00 69.77 ? ? ? ? ? . 475 CYS A N 2450 ATOM 712 C CA . CYS A 2450 475 . 45.626 24.961 11.370 1.00 63.52 ? ? ? ? ? . 475 CYS A CA 2450 ATOM 713 C C . CYS A 2450 475 . 44.593 23.931 10.899 1.00 57.89 ? ? ? ? ? . 475 CYS A C 2450 ATOM 714 O O . CYS A 2450 475 . 44.413 23.754 9.745 1.00 57.74 ? ? ? ? ? . 475 CYS A O 2450 ATOM 715 C CB . CYS A 2450 475 . 44.963 26.319 11.607 1.00 68.88 ? ? ? ? ? . 475 CYS A CB 2450 ATOM 716 S SG . CYS A 2450 475 . 45.921 27.360 12.741 1.00 72.11 ? ? ? ? ? . 475 CYS A SG 2450 ATOM 717 N N . ARG A 2450 476 . 43.876 23.281 11.832 1.00 53.70 ? ? ? ? ? . 476 ARG A N 2450 ATOM 718 C CA . ARG A 2450 476 . 42.831 22.294 11.552 1.00 52.25 ? ? ? ? ? . 476 ARG A CA 2450 ATOM 719 C C . ARG A 2450 476 . 41.603 22.725 12.356 1.00 50.12 ? ? ? ? ? . 476 ARG A C 2450 ATOM 720 O O . ARG A 2450 476 . 41.756 23.557 13.282 1.00 47.07 ? ? ? ? ? . 476 ARG A O 2450 ATOM 721 C CB . ARG A 2450 476 . 43.232 20.869 11.957 1.00 60.68 ? ? ? ? ? . 476 ARG A CB 2450 ATOM 722 C CG . ARG A 2450 476 . 44.515 20.325 11.318 1.00 74.96 ? ? ? ? ? . 476 ARG A CG 2450 ATOM 723 C CD . ARG A 2450 476 . 44.737 18.820 11.455 1.00 85.09 ? ? ? ? ? . 476 ARG A CD 2450 ATOM 724 N NE . ARG A 2450 476 . 43.780 18.123 10.590 1.00 95.25 ? ? ? ? ? . 476 ARG A NE 2450 ATOM 725 C CZ . ARG A 2450 476 . 43.962 16.959 9.959 1.00 101.13 ? ? ? ? ? . 476 ARG A CZ 2450 ATOM 726 N NH1 . ARG A 2450 476 . 45.107 16.302 10.031 1.00 103.39 ? ? ? ? ? 1+ 476 ARG A NH1 2450 ATOM 727 N NH2 . ARG A 2450 476 . 42.968 16.455 9.247 1.00 107.32 ? ? ? ? ? . 476 ARG A NH2 2450 ATOM 728 N N . HIS A 2450 477 . 40.435 22.178 12.005 1.00 44.81 ? ? ? ? ? . 477 HIS A N 2450 ATOM 729 C CA . HIS A 2450 477 . 39.183 22.575 12.680 1.00 45.62 ? ? ? ? ? . 477 HIS A CA 2450 ATOM 730 C C . HIS A 2450 477 . 39.164 22.170 14.160 1.00 43.87 ? ? ? ? ? . 477 HIS A C 2450 ATOM 731 O O . HIS A 2450 477 . 38.402 22.732 14.966 1.00 41.99 ? ? ? ? ? . 477 HIS A O 2450 ATOM 732 C CB . HIS A 2450 477 . 37.956 22.082 11.898 1.00 47.48 ? ? ? ? ? . 477 HIS A CB 2450 ATOM 733 C CG . HIS A 2450 477 . 37.621 22.925 10.714 1.00 50.46 ? ? ? ? ? . 477 HIS A CG 2450 ATOM 734 C CD2 . HIS A 2450 477 . 37.706 22.681 9.387 1.00 50.30 ? ? ? ? ? . 477 HIS A CD2 2450 ATOM 735 N ND1 . HIS A 2450 477 . 37.146 24.226 10.859 1.00 47.66 ? ? ? ? ? . 477 HIS A ND1 2450 ATOM 736 C CE1 . HIS A 2450 477 . 36.951 24.735 9.642 1.00 46.72 ? ? ? ? ? . 477 HIS A CE1 2450 ATOM 737 N NE2 . HIS A 2450 477 . 37.259 23.808 8.727 1.00 49.86 ? ? ? ? ? . 477 HIS A NE2 2450 ATOM 738 N N . SER A 2450 478 . 40.004 21.225 14.538 1.00 44.41 ? ? ? ? ? . 478 SER A N 2450 ATOM 739 C CA . SER A 2450 478 . 40.187 20.849 15.941 1.00 46.11 ? ? ? ? ? . 478 SER A CA 2450 ATOM 740 C C . SER A 2450 478 . 40.723 22.014 16.791 1.00 47.95 ? ? ? ? ? . 478 SER A C 2450 ATOM 741 O O . SER A 2450 478 . 40.647 21.931 17.989 1.00 45.91 ? ? ? ? ? . 478 SER A O 2450 ATOM 742 C CB . SER A 2450 478 . 41.047 19.628 16.017 1.00 51.91 ? ? ? ? ? . 478 SER A CB 2450 ATOM 743 O OG . SER A 2450 478 . 42.305 19.863 15.435 1.00 54.72 ? ? ? ? ? . 478 SER A OG 2450 ATOM 744 N N . GLU A 2450 479 . 41.215 23.097 16.169 1.00 44.08 ? ? ? ? ? . 479 GLU A N 2450 ATOM 745 C CA . GLU A 2450 479 . 41.766 24.288 16.846 1.00 44.83 ? ? ? ? ? . 479 GLU A CA 2450 ATOM 746 C C . GLU A 2450 479 . 40.846 25.509 16.691 1.00 42.43 ? ? ? ? ? . 479 GLU A C 2450 ATOM 747 O O . GLU A 2450 479 . 41.237 26.645 17.026 1.00 42.90 ? ? ? ? ? . 479 GLU A O 2450 ATOM 748 C CB . GLU A 2450 479 . 43.157 24.607 16.257 1.00 51.44 ? ? ? ? ? . 479 GLU A CB 2450 ATOM 749 C CG . GLU A 2450 479 . 44.188 23.503 16.486 1.00 54.28 ? ? ? ? ? . 479 GLU A CG 2450 ATOM 750 C CD . GLU A 2450 479 . 45.366 23.591 15.522 1.00 69.15 ? ? ? ? ? . 479 GLU A CD 2450 ATOM 751 O OE1 . GLU A 2450 479 . 45.202 23.233 14.357 1.00 61.86 ? ? ? ? ? . 479 GLU A OE1 2450 ATOM 752 O OE2 . GLU A 2450 479 . 46.430 24.066 15.939 1.00 77.12 ? ? ? ? ? 1- 479 GLU A OE2 2450 ATOM 753 N N . ASP A 2450 480 . 39.597 25.291 16.279 1.00 40.94 ? ? ? ? ? . 480 ASP A N 2450 ATOM 754 C CA . ASP A 2450 480 . 38.659 26.401 16.065 1.00 42.06 ? ? ? ? ? . 480 ASP A CA 2450 ATOM 755 C C . ASP A 2450 480 . 38.426 27.171 17.361 1.00 38.40 ? ? ? ? ? . 480 ASP A C 2450 ATOM 756 O O . ASP A 2450 480 . 38.246 26.561 18.454 1.00 40.58 ? ? ? ? ? . 480 ASP A O 2450 ATOM 757 C CB . ASP A 2450 480 . 37.326 25.925 15.498 1.00 40.61 ? ? ? ? ? . 480 ASP A CB 2450 ATOM 758 C CG . ASP A 2450 480 . 37.392 25.590 13.997 1.00 48.52 ? ? ? ? ? . 480 ASP A CG 2450 ATOM 759 O OD1 . ASP A 2450 480 . 38.376 25.995 13.309 1.00 45.83 ? ? ? ? ? . 480 ASP A OD1 2450 ATOM 760 O OD2 . ASP A 2450 480 . 36.431 24.964 13.516 1.00 44.52 ? ? ? ? ? 1- 480 ASP A OD2 2450 ATOM 761 N N . ALA A 2450 481 . 38.397 28.503 17.260 1.00 36.64 ? ? ? ? ? . 481 ALA A N 2450 ATOM 762 C CA . ALA A 2450 481 . 38.270 29.391 18.410 1.00 36.26 ? ? ? ? ? . 481 ALA A CA 2450 ATOM 763 C C . ALA A 2450 481 . 36.798 29.650 18.734 1.00 35.72 ? ? ? ? ? . 481 ALA A C 2450 ATOM 764 O O . ALA A 2450 481 . 35.948 29.658 17.819 1.00 36.96 ? ? ? ? ? . 481 ALA A O 2450 ATOM 765 C CB . ALA A 2450 481 . 38.964 30.702 18.033 1.00 41.54 ? ? ? ? ? . 481 ALA A CB 2450 ATOM 766 N N . GLY A 2450 482 . 36.585 30.030 19.981 1.00 34.87 ? ? ? ? ? . 482 GLY A N 2450 ATOM 767 C CA . GLY A 2450 482 . 35.274 30.311 20.513 1.00 36.11 ? ? ? ? ? . 482 GLY A CA 2450 ATOM 768 C C . GLY A 2450 482 . 35.320 31.359 21.581 1.00 35.02 ? ? ? ? ? . 482 GLY A C 2450 ATOM 769 O O . GLY A 2450 482 . 36.418 31.724 22.017 1.00 38.22 ? ? ? ? ? . 482 GLY A O 2450 ATOM 770 N N . VAL A 2450 483 . 34.148 31.755 22.121 1.00 35.01 ? ? ? ? ? . 483 VAL A N 2450 ATOM 771 C CA . VAL A 2450 483 . 34.022 32.754 23.126 1.00 35.38 ? ? ? ? ? . 483 VAL A CA 2450 ATOM 772 C C . VAL A 2450 483 . 32.834 32.432 24.051 1.00 40.20 ? ? ? ? ? . 483 VAL A C 2450 ATOM 773 O O . VAL A 2450 483 . 31.909 31.759 23.592 1.00 38.06 ? ? ? ? ? . 483 VAL A O 2450 ATOM 774 C CB . VAL A 2450 483 . 33.813 34.158 22.541 1.00 36.81 ? ? ? ? ? . 483 VAL A CB 2450 ATOM 775 C CG1 . VAL A 2450 483 . 34.948 34.520 21.579 1.00 36.76 ? ? ? ? ? . 483 VAL A CG1 2450 ATOM 776 C CG2 . VAL A 2450 483 . 32.487 34.301 21.842 1.00 39.73 ? ? ? ? ? . 483 VAL A CG2 2450 ATOM 777 N N . ILE A 2450 484 . 32.864 33.036 25.247 1.00 39.31 ? ? ? ? ? . 484 ILE A N 2450 ATOM 778 C CA . ILE A 2450 484 . 31.733 33.295 26.075 1.00 41.58 ? ? ? ? ? . 484 ILE A CA 2450 ATOM 779 C C . ILE A 2450 484 . 31.640 34.777 26.356 1.00 40.35 ? ? ? ? ? . 484 ILE A C 2450 ATOM 780 O O . ILE A 2450 484 . 32.528 35.316 26.973 1.00 44.38 ? ? ? ? ? . 484 ILE A O 2450 ATOM 781 C CB . ILE A 2450 484 . 31.810 32.514 27.382 1.00 42.29 ? ? ? ? ? . 484 ILE A CB 2450 ATOM 782 C CG1 . ILE A 2450 484 . 31.906 31.027 27.117 1.00 45.27 ? ? ? ? ? . 484 ILE A CG1 2450 ATOM 783 C CG2 . ILE A 2450 484 . 30.584 32.848 28.258 1.00 46.39 ? ? ? ? ? . 484 ILE A CG2 2450 ATOM 784 C CD1 . ILE A 2450 484 . 32.229 30.271 28.337 1.00 49.19 ? ? ? ? ? . 484 ILE A CD1 2450 ATOM 785 N N . CYS A 2450 485 . 30.547 35.422 25.928 1.00 42.37 ? ? ? ? ? . 485 CYS A N 2450 ATOM 786 C CA . CYS A 2450 485 . 30.307 36.819 26.202 1.00 43.39 ? ? ? ? ? . 485 CYS A CA 2450 ATOM 787 C C . CYS A 2450 485 . 29.451 36.994 27.466 1.00 47.96 ? ? ? ? ? . 485 CYS A C 2450 ATOM 788 O O . CYS A 2450 485 . 28.671 36.140 27.803 1.00 47.45 ? ? ? ? ? . 485 CYS A O 2450 ATOM 789 C CB . CYS A 2450 485 . 29.584 37.482 25.043 1.00 44.57 ? ? ? ? ? . 485 CYS A CB 2450 ATOM 790 S SG . CYS A 2450 485 . 30.313 37.210 23.402 1.00 44.06 ? ? ? ? ? . 485 CYS A SG 2450 ATOM 791 N N . ASP A 2450 486 . 29.686 38.115 28.176 1.00 49.95 ? ? ? ? ? . 486 ASP A N 2450 ATOM 792 C CA . ASP A 2450 486 . 28.976 38.430 29.405 1.00 52.99 ? ? ? ? ? . 486 ASP A CA 2450 ATOM 793 C C . ASP A 2450 486 . 29.140 37.262 30.388 1.00 54.22 ? ? ? ? ? . 486 ASP A C 2450 ATOM 794 O O . ASP A 2450 486 . 28.180 36.762 30.992 1.00 56.37 ? ? ? ? ? . 486 ASP A O 2450 ATOM 795 C CB . ASP A 2450 486 . 27.518 38.798 29.142 1.00 56.41 ? ? ? ? ? . 486 ASP A CB 2450 ATOM 796 C CG . ASP A 2450 486 . 27.332 40.190 28.544 1.00 58.46 ? ? ? ? ? . 486 ASP A CG 2450 ATOM 797 O OD1 . ASP A 2450 486 . 28.372 40.859 28.197 1.00 59.36 ? ? ? ? ? . 486 ASP A OD1 2450 ATOM 798 O OD2 . ASP A 2450 486 . 26.175 40.546 28.349 1.00 62.09 ? ? ? ? ? 1- 486 ASP A OD2 2450 ATOM 799 N N . TYR A 2450 487 . 30.395 36.820 30.545 1.00 54.97 ? ? ? ? ? . 487 TYR A N 2450 ATOM 800 C CA . TYR A 2450 487 . 30.720 35.663 31.348 1.00 54.17 ? ? ? ? ? . 487 TYR A CA 2450 ATOM 801 C C . TYR A 2450 487 . 30.382 35.978 32.807 1.00 62.56 ? ? ? ? ? . 487 TYR A C 2450 ATOM 802 O O . TYR A 2450 487 . 30.708 37.060 33.263 1.00 60.80 ? ? ? ? ? . 487 TYR A O 2450 ATOM 803 C CB . TYR A 2450 487 . 32.197 35.320 31.166 1.00 55.79 ? ? ? ? ? . 487 TYR A CB 2450 ATOM 804 C CG . TYR A 2450 487 . 32.642 34.184 32.048 1.00 56.76 ? ? ? ? ? . 487 TYR A CG 2450 ATOM 805 C CD1 . TYR A 2450 487 . 32.551 32.863 31.621 1.00 55.62 ? ? ? ? ? . 487 TYR A CD1 2450 ATOM 806 C CD2 . TYR A 2450 487 . 33.124 34.434 33.323 1.00 64.16 ? ? ? ? ? . 487 TYR A CD2 2450 ATOM 807 C CE1 . TYR A 2450 487 . 32.935 31.816 32.448 1.00 58.33 ? ? ? ? ? . 487 TYR A CE1 2450 ATOM 808 C CE2 . TYR A 2450 487 . 33.475 33.403 34.178 1.00 67.18 ? ? ? ? ? . 487 TYR A CE2 2450 ATOM 809 C CZ . TYR A 2450 487 . 33.421 32.098 33.715 1.00 64.86 ? ? ? ? ? . 487 TYR A CZ 2450 ATOM 810 O OH . TYR A 2450 487 . 33.798 31.102 34.539 1.00 71.09 ? ? ? ? ? . 487 TYR A OH 2450 ATOM 811 N N . LEU A 2450 488 . 29.665 35.064 33.467 1.00 69.62 ? ? ? ? ? . 488 LEU A N 2450 ATOM 812 C CA . LEU A 2450 488 . 29.185 35.256 34.869 1.00 86.53 ? ? ? ? ? . 488 LEU A CA 2450 ATOM 813 C C . LEU A 2450 488 . 29.753 34.130 35.737 1.00 94.48 ? ? ? ? ? . 488 LEU A C 2450 ATOM 814 O O . LEU A 2450 488 . 29.541 32.965 35.420 1.00 96.72 ? ? ? ? ? . 488 LEU A O 2450 ATOM 815 C CB . LEU A 2450 488 . 27.653 35.212 34.889 1.00 92.33 ? ? ? ? ? . 488 LEU A CB 2450 ATOM 816 C CG . LEU A 2450 488 . 26.898 36.544 34.959 1.00 102.68 ? ? ? ? ? . 488 LEU A CG 2450 ATOM 817 C CD1 . LEU A 2450 488 . 25.392 36.302 34.874 1.00 106.37 ? ? ? ? ? . 488 LEU A CD1 2450 ATOM 818 C CD2 . LEU A 2450 488 . 27.228 37.313 36.239 1.00 106.40 ? ? ? ? ? . 488 LEU A CD2 2450 ATOM 819 N N . GLU A 2450 489 . 30.467 34.493 36.809 1.00 89.85 ? ? ? ? ? . 489 GLU A N 2450 ATOM 820 C CA . GLU A 2450 489 . 31.088 33.542 37.769 1.00 101.05 ? ? ? ? ? . 489 GLU A CA 2450 ATOM 821 C C . GLU A 2450 489 . 32.274 32.826 37.115 1.00 107.06 ? ? ? ? ? . 489 GLU A C 2450 ATOM 822 O O . GLU A 2450 489 . 33.015 32.126 37.804 1.00 108.25 ? ? ? ? ? . 489 GLU A O 2450 ATOM 823 C CB . GLU A 2450 489 . 30.108 32.482 38.277 1.00 107.82 ? ? ? ? ? . 489 GLU A CB 2450 ATOM 824 C CG . GLU A 2450 489 . 28.911 33.050 39.020 1.00 110.95 ? ? ? ? ? . 489 GLU A CG 2450 ATOM 825 C CD . GLU A 2450 489 . 27.740 32.090 39.088 1.00 115.32 ? ? ? ? ? . 489 GLU A CD 2450 ATOM 826 O OE1 . GLU A 2450 489 . 26.711 32.461 39.685 1.00 121.30 ? ? ? ? ? . 489 GLU A OE1 2450 ATOM 827 O OE2 . GLU A 2450 489 . 27.861 30.973 38.543 1.00 115.92 ? ? ? ? ? 1- 489 GLU A OE2 2450 #