data_SASDBJ4_MAIN # _sas_result.id 337 _sas_result.SASBDB_code SASDBJ4 _sas_result.experimental_MW 31.000 _sas_result.experimental_MW_error 3.000 _sas_result.MW_standard 31.000 _sas_result.MW_standard_error . _sas_result.MW_Porod 30.810 _sas_result.MW_Porod_error . _sas_result.I0_from_PR 27.6500000000 _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 29.8400000000 _sas_result.I0_from_Guinier_error . _sas_result.Rg_from_PR 3.096 _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 3.340 _sas_result.Rg_from_Guinier_error 0.270 _sas_result.D_max 10.00 _sas_result.Porod_volume 49.30 _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 112 _sas_result.type_of_curve single_conc _sas_result.standard BSA _sas_result.Dmax_error 1.00 _sas_result.comments "The CBD of wt-LytA forms a dimer in solution, in line with results from the crystal structure." # _sas_scan.title "CBD of wt-LytA" _sas_scan.detc_id 1 _sas_scan.id 337 _sas_scan.measurement_date 2011-12-11 _sas_scan.storage_temperature 10.0 _sas_scan.cell_temperature 10.0 _sas_scan.exposure_time 15.000 _sas_scan.number_of_frames 8 _sas_scan.unit 1/nm _sas_scan.qmin 0.0855 _sas_scan.qmax 6.0320 _sas_scan.sample_id 298 _sas_scan.result_id 337 _sas_scan.beam_id 1 # _sas_beam.id 1 _sas_beam.instrument_name "DORIS III X33" _sas_beam.instrument_city Hamburg _sas_beam.instrument_country Germany _sas_beam.shape 0.60 _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.150000 _sas_beam.dist_spec_to_detc 2.70000 # _sas_detc.id 1 _sas_detc.name "Pilatus 1M-W" _sas_detc.type . _sas_detc.pixsize_x 0.172 # _sas_sample.id 298 _sas_sample.name "Wild-type LytA choline-binding domain" _sas_sample.ext_coefficient . _sas_sample.contrast . _sas_sample.specific_vol . _sas_sample.purity_method . _sas_sample.dry_vol . _sas_sample.sample_MW . _sas_sample.specimen_concentration 0.70-6.92 _sas_sample.concentration_method . _sas_sample.entity_id 326 # _sas_buffer.id 149 _sas_buffer.name Tris _sas_buffer.concentration 20.00 _sas_buffer.unit mM _sas_buffer.pK . _sas_buffer.pH 7.500 _sas_buffer.comment "with choline" _sas_buffer.composition "150 mM NaCl, 5 mM choline chloride, 1 µM ZnCl2" _sas_buffer.sample_id 298 # _entity.id 326 _entity.type protein _entity.pdbx_description "Lytic Amidase choline-binding domain" _entity.formula_weight 17.300 _entity.pdbx_number_of_molecules 2 # _entity_name_com.entity_id 326 _entity_name_com.name "LytA CBD" # _entity_poly.entity_id 326 _entity_poly.pdbx_seq_one_letter_code . # _entity_src_gen.entity_id 326 _entity_src_gen.gene_src_common_name "Streptococcus pneumoniae" # _struct_ref.id 1 _struct_ref.entity_id 326 _struct_ref.db_name UniProt _struct_ref.db_code . # _citation.id 7 _citation.title "Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae." _citation.year "2014 Feb 11" _citation.pdbx_database_id_DOI 10.1128/mBio.01120-13 _citation.pdbx_database_id_PubMed 24520066 _citation.journal_abbrev MBio _citation.journal_volume 5 _citation.journal_issue 1 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 7 1 "Mellroth P" 7 2 "Sandalova T" 7 3 "Kikhney A" 7 4 "Vilaplana F" 7 5 "Hesek D" 7 6 "Lee M" 7 7 "Mobashery S" 7 8 "Normark S" 7 9 "Svergun D" 7 10 "Henriques-Normark B" # _pdbx_contact_author.id 20 _pdbx_contact_author.name_first Al _pdbx_contact_author.name_last Kikhney _pdbx_contact_author.role . _pdbx_contact_author.address_1 EMBL-Hamburg _pdbx_contact_author.address_2 "European Molecular Biology Laboratory (EMBL) - Hamburg outstation" _pdbx_contact_author.address_3 "Notkestraße 85, Geb. 25A, 22607 Hamburg, Deutschland, Germany" # loop_ _sas_scan_intensity.id _sas_scan_intensity.momentum_transfer _sas_scan_intensity.intensity _sas_scan_intensity.intensity_su_counting _sas_scan_intensity.scan_id 1 8.549790E-02 1.398430E+02 1.430080E+02 337 2 8.823820E-02 5.516090E+01 4.956840E+01 337 3 9.097850E-02 5.025280E+01 4.001460E+01 337 4 9.371880E-02 6.083110E+01 3.442550E+01 337 5 9.645910E-02 7.292740E+01 3.025310E+01 337 6 9.919950E-02 4.173110E+01 2.645510E+01 337 7 1.019400E-01 3.622250E+01 2.381960E+01 337 8 1.046800E-01 4.058150E+01 2.067550E+01 337 9 1.074200E-01 2.921440E+01 1.875970E+01 337 10 1.101610E-01 2.728840E+01 1.634130E+01 337 11 1.129010E-01 3.039220E+01 1.487730E+01 337 12 1.156410E-01 3.141300E+01 1.384410E+01 337 13 1.183820E-01 3.225280E+01 1.242130E+01 337 14 1.211220E-01 3.021400E+01 1.138300E+01 337 15 1.238620E-01 2.758220E+01 1.023580E+01 337 16 1.266030E-01 2.544420E+01 9.477480E+00 337 17 1.293430E-01 2.657540E+01 9.026020E+00 337 18 1.320830E-01 4.335550E+01 8.124910E+00 337 19 1.348230E-01 2.662090E+01 7.642030E+00 337 20 1.375640E-01 1.479460E+01 7.019210E+00 337 21 1.403040E-01 2.623440E+01 6.545990E+00 337 22 1.430440E-01 3.637820E+01 6.044280E+00 337 23 1.457850E-01 2.387320E+01 5.741740E+00 337 24 1.485250E-01 3.389790E+01 5.471770E+00 337 25 1.512650E-01 2.885640E+01 5.011320E+00 337 26 1.540060E-01 2.520300E+01 4.806690E+00 337 27 1.567460E-01 3.059470E+01 4.428960E+00 337 28 1.594860E-01 2.569910E+01 4.310600E+00 337 29 1.622270E-01 2.476260E+01 4.001290E+00 337 30 1.649670E-01 2.485570E+01 3.851260E+00 337 31 1.677070E-01 2.726750E+01 3.637650E+00 337 32 1.704470E-01 2.767660E+01 3.415900E+00 337 33 1.731880E-01 3.183750E+01 3.316480E+00 337 34 1.759280E-01 2.819970E+01 3.140390E+00 337 35 1.786680E-01 2.642390E+01 2.988240E+00 337 36 1.814090E-01 2.614010E+01 2.824200E+00 337 37 1.841490E-01 2.727160E+01 2.760590E+00 337 38 1.868890E-01 2.422590E+01 2.677850E+00 337 39 1.896300E-01 2.388770E+01 2.489160E+00 337 40 1.923700E-01 2.397050E+01 2.395180E+00 337 41 1.951100E-01 2.812920E+01 2.359160E+00 337 42 1.978510E-01 2.684280E+01 2.251190E+00 337 43 2.005910E-01 2.710030E+01 2.209620E+00 337 44 2.033310E-01 2.882880E+01 2.027620E+00 337 45 2.060710E-01 2.345340E+01 2.035190E+00 337 46 2.088120E-01 2.243200E+01 1.948370E+00 337 47 2.115520E-01 2.628170E+01 1.913140E+00 337 48 2.142920E-01 2.573690E+01 1.848640E+00 337 49 2.170330E-01 2.411530E+01 1.748200E+00 337 50 2.197730E-01 2.596880E+01 1.793810E+00 337 51 2.225130E-01 2.541180E+01 1.674360E+00 337 52 2.252540E-01 2.609750E+01 1.641460E+00 337 53 2.279940E-01 2.164350E+01 1.615050E+00 337 54 2.307340E-01 2.639810E+01 1.559620E+00 337 55 2.334750E-01 2.486860E+01 1.570380E+00 337 56 2.362150E-01 2.503050E+01 1.457530E+00 337 57 2.389550E-01 2.288980E+01 1.487730E+00 337 58 2.416960E-01 2.420130E+01 1.424090E+00 337 59 2.444360E-01 2.269590E+01 1.406790E+00 337 60 2.471760E-01 2.138320E+01 1.419680E+00 337 61 2.499160E-01 2.332460E+01 1.314590E+00 337 62 2.526570E-01 2.426560E+01 1.357100E+00 337 63 2.553970E-01 2.423700E+01 1.330580E+00 337 64 2.581370E-01 2.328050E+01 1.294010E+00 337 65 2.608780E-01 2.404270E+01 1.282590E+00 337 66 2.636180E-01 2.024500E+01 1.226090E+00 337 67 2.663580E-01 2.350790E+01 1.271530E+00 337 68 2.690990E-01 2.288160E+01 1.214830E+00 337 69 2.718390E-01 2.187020E+01 1.201090E+00 337 70 2.745790E-01 2.241120E+01 1.212540E+00 337 71 2.773200E-01 2.306783E+01 6.497353E-01 337 72 2.800600E-01 2.189629E+01 6.728745E-01 337 73 2.828000E-01 2.175464E+01 6.342975E-01 337 74 2.855400E-01 2.188831E+01 6.488825E-01 337 75 2.882810E-01 2.179742E+01 6.438818E-01 337 76 2.910210E-01 2.204630E+01 6.209571E-01 337 77 2.937610E-01 2.161479E+01 6.333772E-01 337 78 2.965020E-01 2.105754E+01 6.023269E-01 337 79 2.992420E-01 2.174049E+01 6.113346E-01 337 80 3.019820E-01 2.133576E+01 6.023358E-01 337 81 3.047230E-01 2.088438E+01 5.952554E-01 337 82 3.074630E-01 2.105148E+01 5.872625E-01 337 83 3.102030E-01 2.075974E+01 5.764503E-01 337 84 3.129440E-01 2.091590E+01 5.731942E-01 337 85 3.156840E-01 2.006750E+01 5.717685E-01 337 86 3.184240E-01 2.062941E+01 5.493861E-01 337 87 3.211640E-01 1.987806E+01 5.562279E-01 337 88 3.239050E-01 1.981106E+01 5.528884E-01 337 89 3.266450E-01 2.037192E+01 5.471582E-01 337 90 3.293850E-01 2.068866E+01 5.421895E-01 337 91 3.321260E-01 2.004979E+01 5.383677E-01 337 92 3.348660E-01 1.864330E+01 5.400525E-01 337 93 3.376060E-01 1.882402E+01 5.418813E-01 337 94 3.403470E-01 1.917175E+01 5.294090E-01 337 95 3.430870E-01 1.936949E+01 5.192755E-01 337 96 3.458270E-01 1.870345E+01 5.274284E-01 337 97 3.485680E-01 1.906877E+01 5.249886E-01 337 98 3.513080E-01 1.907910E+01 5.350506E-01 337 99 3.540480E-01 1.838399E+01 5.104636E-01 337 100 3.567880E-01 1.896046E+01 5.125996E-01 337 101 3.595290E-01 1.906559E+01 5.102249E-01 337 102 3.622690E-01 1.854957E+01 5.188600E-01 337 103 3.650090E-01 1.805625E+01 5.123686E-01 337 104 3.677500E-01 1.791757E+01 4.996416E-01 337 105 3.704900E-01 1.856128E+01 5.030004E-01 337 106 3.732300E-01 1.795945E+01 5.102005E-01 337 107 3.759710E-01 1.720522E+01 4.882827E-01 337 108 3.787110E-01 1.735857E+01 4.973657E-01 337 109 3.814510E-01 1.726447E+01 4.934973E-01 337 110 3.841920E-01 1.702266E+01 4.940646E-01 337 111 3.869320E-01 1.758029E+01 4.933602E-01 337 112 3.896720E-01 1.679516E+01 4.811689E-01 337 113 3.924130E-01 1.803550E+01 4.906746E-01 337 114 3.951530E-01 1.744232E+01 4.797657E-01 337 115 3.978930E-01 1.605803E+01 4.856241E-01 337 116 4.006330E-01 1.629083E+01 4.737179E-01 337 117 4.033740E-01 1.671991E+01 4.787607E-01 337 118 4.061140E-01 1.667027E+01 4.848225E-01 337 119 4.088540E-01 1.587926E+01 4.726096E-01 337 120 4.115950E-01 1.673709E+01 4.699616E-01 337 121 4.143350E-01 1.601121E+01 4.669145E-01 337 122 4.170750E-01 1.614914E+01 4.705764E-01 337 123 4.198160E-01 1.548500E+01 4.743333E-01 337 124 4.225560E-01 1.533560E+01 4.553794E-01 337 125 4.252960E-01 1.604083E+01 4.663553E-01 337 126 4.280370E-01 1.577009E+01 2.324902E-01 337 127 4.307770E-01 1.586298E+01 2.385698E-01 337 128 4.335170E-01 1.538848E+01 2.365597E-01 337 129 4.362570E-01 1.543897E+01 2.320830E-01 337 130 4.389980E-01 1.534525E+01 2.366579E-01 337 131 4.417380E-01 1.525240E+01 2.315898E-01 337 132 4.444780E-01 1.495958E+01 2.325917E-01 337 133 4.472190E-01 1.505418E+01 2.263461E-01 337 134 4.499590E-01 1.489282E+01 2.304535E-01 337 135 4.526990E-01 1.498643E+01 2.306413E-01 337 136 4.554400E-01 1.463007E+01 2.276255E-01 337 137 4.581800E-01 1.452780E+01 2.284724E-01 337 138 4.609200E-01 1.438678E+01 2.233451E-01 337 139 4.636610E-01 1.400721E+01 2.266392E-01 337 140 4.664010E-01 1.388582E+01 2.280997E-01 337 141 4.691410E-01 1.401259E+01 2.022050E-01 337 142 4.718810E-01 1.376793E+01 2.058995E-01 337 143 4.746220E-01 1.402029E+01 2.073376E-01 337 144 4.773620E-01 1.361768E+01 2.063256E-01 337 145 4.801020E-01 1.339970E+01 2.002120E-01 337 146 4.828430E-01 1.373560E+01 2.030452E-01 337 147 4.855830E-01 1.324789E+01 2.089562E-01 337 148 4.883230E-01 1.341339E+01 2.028993E-01 337 149 4.910640E-01 1.320479E+01 2.038304E-01 337 150 4.938040E-01 1.314150E+01 2.002296E-01 337 151 4.965440E-01 1.297778E+01 1.967226E-01 337 152 4.992850E-01 1.287525E+01 2.010901E-01 337 153 5.020250E-01 1.279071E+01 1.978757E-01 337 154 5.047650E-01 1.274935E+01 1.976862E-01 337 155 5.075050E-01 1.273013E+01 1.988962E-01 337 156 5.102460E-01 1.238996E+01 1.997875E-01 337 157 5.129860E-01 1.242172E+01 1.993326E-01 337 158 5.157260E-01 1.230956E+01 1.935586E-01 337 159 5.184670E-01 1.220309E+01 1.974877E-01 337 160 5.212070E-01 1.237539E+01 1.954227E-01 337 161 5.239470E-01 1.218632E+01 1.960221E-01 337 162 5.266880E-01 1.187507E+01 1.935521E-01 337 163 5.294280E-01 1.216276E+01 1.950006E-01 337 164 5.321680E-01 1.175837E+01 1.933502E-01 337 165 5.349090E-01 1.161030E+01 1.917713E-01 337 166 5.376490E-01 1.175720E+01 1.952734E-01 337 167 5.403890E-01 1.158204E+01 1.927615E-01 337 168 5.431290E-01 1.148067E+01 1.908472E-01 337 169 5.458700E-01 1.137288E+01 1.915837E-01 337 170 5.486100E-01 1.099673E+01 1.904582E-01 337 171 5.513500E-01 1.124453E+01 1.897994E-01 337 172 5.540910E-01 1.102565E+01 1.895175E-01 337 173 5.568310E-01 1.118519E+01 1.922441E-01 337 174 5.595710E-01 1.065163E+01 1.907608E-01 337 175 5.623120E-01 1.054837E+01 1.842909E-01 337 176 5.650520E-01 1.076710E+01 1.872747E-01 337 177 5.677920E-01 1.074851E+01 1.854190E-01 337 178 5.705330E-01 1.046809E+01 1.856433E-01 337 179 5.732730E-01 1.054786E+01 1.857890E-01 337 180 5.760130E-01 1.035219E+01 1.838309E-01 337 181 5.787540E-01 1.029446E+01 1.825327E-01 337 182 5.814940E-01 1.021697E+01 1.838248E-01 337 183 5.842340E-01 1.029143E+01 1.809375E-01 337 184 5.869740E-01 1.030971E+01 1.840329E-01 337 185 5.897150E-01 9.977912E+00 1.827018E-01 337 186 5.924550E-01 9.898594E+00 1.813267E-01 337 187 5.951950E-01 1.008390E+01 1.853855E-01 337 188 5.979360E-01 9.894132E+00 1.811627E-01 337 189 6.006760E-01 9.524798E+00 1.805453E-01 337 190 6.034160E-01 9.572081E+00 1.778075E-01 337 191 6.061570E-01 9.385569E+00 1.783858E-01 337 192 6.088970E-01 9.364112E+00 1.779364E-01 337 193 6.116370E-01 9.458774E+00 1.788849E-01 337 194 6.143780E-01 9.385360E+00 1.771211E-01 337 195 6.171180E-01 9.220098E+00 1.779203E-01 337 196 6.198580E-01 9.022887E+00 1.749104E-01 337 197 6.225980E-01 9.011689E+00 1.767098E-01 337 198 6.253390E-01 8.937378E+00 1.750563E-01 337 199 6.280790E-01 8.954287E+00 1.780584E-01 337 200 6.308190E-01 8.773133E+00 1.731457E-01 337 201 6.335600E-01 8.683937E+00 1.710685E-01 337 202 6.363000E-01 8.705848E+00 1.763738E-01 337 203 6.390400E-01 8.528923E+00 1.711128E-01 337 204 6.417810E-01 8.466242E+00 1.720446E-01 337 205 6.445210E-01 8.353738E+00 1.709389E-01 337 206 6.472610E-01 8.252435E+00 8.052060E-02 337 207 6.500020E-01 8.229408E+00 8.067190E-02 337 208 6.527420E-01 8.393624E+00 8.120610E-02 337 209 6.554820E-01 8.190420E+00 7.982590E-02 337 210 6.582220E-01 8.157192E+00 8.137620E-02 337 211 6.609630E-01 7.946655E+00 7.852550E-02 337 212 6.637030E-01 8.071799E+00 8.016870E-02 337 213 6.664430E-01 7.835996E+00 7.847820E-02 337 214 6.691840E-01 7.812097E+00 7.839870E-02 337 215 6.719240E-01 7.616904E+00 7.828670E-02 337 216 6.746640E-01 7.650543E+00 7.778170E-02 337 217 6.774050E-01 7.516409E+00 7.842980E-02 337 218 6.801450E-01 7.625931E+00 7.726920E-02 337 219 6.828850E-01 7.646381E+00 7.832460E-02 337 220 6.856260E-01 7.542498E+00 7.846020E-02 337 221 6.883660E-01 7.370416E+00 7.679370E-02 337 222 6.911060E-01 7.195491E+00 7.609150E-02 337 223 6.938460E-01 7.276625E+00 7.648950E-02 337 224 6.965870E-01 7.314572E+00 7.723440E-02 337 225 6.993270E-01 7.116390E+00 7.491870E-02 337 226 7.020670E-01 7.085582E+00 7.491020E-02 337 227 7.048080E-01 6.860343E+00 7.452370E-02 337 228 7.075480E-01 7.169620E+00 7.558020E-02 337 229 7.102880E-01 6.827720E+00 7.451840E-02 337 230 7.130290E-01 6.803628E+00 7.355510E-02 337 231 7.157690E-01 6.691093E+00 7.384320E-02 337 232 7.185090E-01 6.796271E+00 7.517260E-02 337 233 7.212500E-01 6.826607E+00 7.527890E-02 337 234 7.239900E-01 6.639327E+00 7.424860E-02 337 235 7.267300E-01 6.594252E+00 7.396960E-02 337 236 7.294710E-01 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5.897690E+00 1.466426E-01 4.741400E-02 337 2122 5.900430E+00 1.118612E-01 4.820130E-02 337 2123 5.903170E+00 1.234011E-01 4.753480E-02 337 2124 5.905910E+00 4.292309E-03 4.770480E-02 337 2125 5.908650E+00 7.974414E-02 4.730930E-02 337 2126 5.911390E+00 1.565517E-01 4.717720E-02 337 2127 5.914130E+00 1.587250E-01 4.749320E-02 337 2128 5.916880E+00 1.223133E-01 4.754060E-02 337 2129 5.919620E+00 4.880274E-02 4.838900E-02 337 2130 5.922360E+00 5.640271E-02 4.830380E-02 337 2131 5.925100E+00 1.040622E-01 4.766750E-02 337 2132 5.927840E+00 6.423683E-02 4.815210E-02 337 2133 5.930580E+00 8.696150E-02 4.924780E-02 337 2134 5.933320E+00 9.948021E-02 4.734840E-02 337 2135 5.936060E+00 1.229667E-01 4.726330E-02 337 2136 5.938800E+00 6.019925E-02 4.839440E-02 337 2137 5.941540E+00 6.366170E-02 4.810670E-02 337 2138 5.944280E+00 8.522870E-02 4.716650E-02 337 2139 5.947020E+00 8.424541E-02 4.761290E-02 337 2140 5.949760E+00 1.226751E-01 4.746770E-02 337 2141 5.952500E+00 8.879134E-02 4.683500E-02 337 2142 5.955240E+00 2.476626E-02 4.803780E-02 337 2143 5.957980E+00 8.437791E-02 4.842640E-02 337 2144 5.960720E+00 6.877017E-03 4.807540E-02 337 2145 5.963460E+00 9.139404E-02 4.854190E-02 337 2146 5.966200E+00 2.019238E-01 4.780540E-02 337 2147 5.968940E+00 1.500792E-01 4.826680E-02 337 2148 5.971680E+00 2.272623E-02 4.789490E-02 337 2149 5.974420E+00 1.115109E-01 4.777050E-02 337 2150 5.977160E+00 8.622724E-02 4.878920E-02 337 2151 5.979900E+00 1.497609E-01 4.846380E-02 337 2152 5.982640E+00 7.754209E-02 5.840300E-02 337 2153 5.985380E+00 -4.780529E-02 6.292320E-02 337 2154 5.988120E+00 1.087640E-01 6.691050E-02 337 2155 5.990860E+00 -6.453172E-02 7.135540E-02 337 2156 5.993600E+00 8.179385E-02 7.636920E-02 337 2157 5.996340E+00 9.335638E-02 7.828510E-02 337 2158 5.999080E+00 2.750316E-01 8.756020E-02 337 2159 6.001820E+00 1.104786E-01 9.253970E-02 337 2160 6.004570E+00 -3.652156E-02 9.365760E-02 337 2161 6.007310E+00 1.548504E-01 9.771150E-02 337 2162 6.010050E+00 -1.421182E-01 1.064730E-01 337 2163 6.012790E+00 2.003834E-01 1.073180E-01 337 2164 6.015530E+00 6.365093E-02 1.213130E-01 337 2165 6.018270E+00 4.095119E-01 1.241620E-01 337 2166 6.021010E+00 2.319380E-01 1.437330E-01 337 2167 6.023750E+00 2.650813E-01 1.738600E-01 337 2168 6.026490E+00 4.545126E-01 1.976160E-01 337 2169 6.029230E+00 1.354363E-01 2.364110E-01 337 2170 6.031970E+00 5.045325E-01 4.747340E-01 337 # _sas_p_of_R_details.id 337 _sas_p_of_R_details.intensity_id 337 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 1119 _sas_p_of_R_details.qmin 0.175928 _sas_p_of_R_details.qmax 3.24233 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 1119 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 10.0 # loop_ _sas_p_of_R.id _sas_p_of_R.ordinal _sas_p_of_R.r _sas_p_of_R.P _sas_p_of_R.P_error 337 1 0.000000E+00 0.000000E+00 0.000000E+00 337 2 3.922000E-02 3.078000E-03 1.353000E-04 337 3 7.843000E-02 6.884000E-03 2.488000E-04 337 4 1.176000E-01 1.141000E-02 3.410000E-04 337 5 1.569000E-01 1.665000E-02 4.124000E-04 337 6 1.961000E-01 2.258000E-02 4.639000E-04 337 7 2.353000E-01 2.919000E-02 4.963000E-04 337 8 2.745000E-01 3.645000E-02 5.111000E-04 337 9 3.137000E-01 4.433000E-02 5.097000E-04 337 10 3.529000E-01 5.281000E-02 4.937000E-04 337 11 3.922000E-01 6.185000E-02 4.654000E-04 337 12 4.314000E-01 7.141000E-02 4.274000E-04 337 13 4.706000E-01 8.145000E-02 3.828000E-04 337 14 5.098000E-01 9.194000E-02 3.365000E-04 337 15 5.490000E-01 1.028000E-01 2.950000E-04 337 16 5.882000E-01 1.140000E-01 2.677000E-04 337 17 6.275000E-01 1.256000E-01 2.645000E-04 337 18 6.667000E-01 1.373000E-01 2.890000E-04 337 19 7.059000E-01 1.493000E-01 3.357000E-04 337 20 7.451000E-01 1.614000E-01 3.959000E-04 337 21 7.843000E-01 1.736000E-01 4.623000E-04 337 22 8.235000E-01 1.859000E-01 5.300000E-04 337 23 8.627000E-01 1.981000E-01 5.955000E-04 337 24 9.020000E-01 2.103000E-01 6.564000E-04 337 25 9.412000E-01 2.224000E-01 7.109000E-04 337 26 9.804000E-01 2.343000E-01 7.578000E-04 337 27 1.020000E+00 2.460000E-01 7.961000E-04 337 28 1.059000E+00 2.574000E-01 8.251000E-04 337 29 1.098000E+00 2.686000E-01 8.444000E-04 337 30 1.137000E+00 2.795000E-01 8.540000E-04 337 31 1.176000E+00 2.899000E-01 8.540000E-04 337 32 1.216000E+00 3.000000E-01 8.450000E-04 337 33 1.255000E+00 3.097000E-01 8.277000E-04 337 34 1.294000E+00 3.188000E-01 8.033000E-04 337 35 1.333000E+00 3.276000E-01 7.734000E-04 337 36 1.373000E+00 3.358000E-01 7.399000E-04 337 37 1.412000E+00 3.435000E-01 7.054000E-04 337 38 1.451000E+00 3.506000E-01 6.729000E-04 337 39 1.490000E+00 3.572000E-01 6.457000E-04 337 40 1.529000E+00 3.633000E-01 6.275000E-04 337 41 1.569000E+00 3.688000E-01 6.213000E-04 337 42 1.608000E+00 3.738000E-01 6.292000E-04 337 43 1.647000E+00 3.782000E-01 6.515000E-04 337 44 1.686000E+00 3.821000E-01 6.868000E-04 337 45 1.725000E+00 3.855000E-01 7.327000E-04 337 46 1.765000E+00 3.883000E-01 7.861000E-04 337 47 1.804000E+00 3.907000E-01 8.439000E-04 337 48 1.843000E+00 3.925000E-01 9.035000E-04 337 49 1.882000E+00 3.939000E-01 9.624000E-04 337 50 1.922000E+00 3.949000E-01 1.019000E-03 337 51 1.961000E+00 3.955000E-01 1.071000E-03 337 52 2.000000E+00 3.956000E-01 1.118000E-03 337 53 2.039000E+00 3.954000E-01 1.158000E-03 337 54 2.078000E+00 3.949000E-01 1.192000E-03 337 55 2.118000E+00 3.941000E-01 1.218000E-03 337 56 2.157000E+00 3.930000E-01 1.238000E-03 337 57 2.196000E+00 3.917000E-01 1.249000E-03 337 58 2.235000E+00 3.901000E-01 1.254000E-03 337 59 2.275000E+00 3.884000E-01 1.253000E-03 337 60 2.314000E+00 3.865000E-01 1.246000E-03 337 61 2.353000E+00 3.845000E-01 1.236000E-03 337 62 2.392000E+00 3.823000E-01 1.222000E-03 337 63 2.431000E+00 3.802000E-01 1.206000E-03 337 64 2.471000E+00 3.779000E-01 1.191000E-03 337 65 2.510000E+00 3.757000E-01 1.176000E-03 337 66 2.549000E+00 3.734000E-01 1.165000E-03 337 67 2.588000E+00 3.712000E-01 1.158000E-03 337 68 2.627000E+00 3.690000E-01 1.156000E-03 337 69 2.667000E+00 3.669000E-01 1.160000E-03 337 70 2.706000E+00 3.649000E-01 1.170000E-03 337 71 2.745000E+00 3.629000E-01 1.186000E-03 337 72 2.784000E+00 3.611000E-01 1.207000E-03 337 73 2.824000E+00 3.594000E-01 1.233000E-03 337 74 2.863000E+00 3.578000E-01 1.262000E-03 337 75 2.902000E+00 3.563000E-01 1.293000E-03 337 76 2.941000E+00 3.550000E-01 1.324000E-03 337 77 2.980000E+00 3.538000E-01 1.356000E-03 337 78 3.020000E+00 3.528000E-01 1.386000E-03 337 79 3.059000E+00 3.518000E-01 1.414000E-03 337 80 3.098000E+00 3.511000E-01 1.440000E-03 337 81 3.137000E+00 3.505000E-01 1.462000E-03 337 82 3.176000E+00 3.500000E-01 1.480000E-03 337 83 3.216000E+00 3.496000E-01 1.495000E-03 337 84 3.255000E+00 3.494000E-01 1.507000E-03 337 85 3.294000E+00 3.493000E-01 1.516000E-03 337 86 3.333000E+00 3.492000E-01 1.522000E-03 337 87 3.373000E+00 3.493000E-01 1.527000E-03 337 88 3.412000E+00 3.495000E-01 1.530000E-03 337 89 3.451000E+00 3.498000E-01 1.534000E-03 337 90 3.490000E+00 3.501000E-01 1.537000E-03 337 91 3.529000E+00 3.505000E-01 1.542000E-03 337 92 3.569000E+00 3.509000E-01 1.549000E-03 337 93 3.608000E+00 3.514000E-01 1.557000E-03 337 94 3.647000E+00 3.519000E-01 1.569000E-03 337 95 3.686000E+00 3.524000E-01 1.583000E-03 337 96 3.725000E+00 3.530000E-01 1.599000E-03 337 97 3.765000E+00 3.535000E-01 1.618000E-03 337 98 3.804000E+00 3.541000E-01 1.639000E-03 337 99 3.843000E+00 3.546000E-01 1.660000E-03 337 100 3.882000E+00 3.551000E-01 1.683000E-03 337 101 3.922000E+00 3.556000E-01 1.705000E-03 337 102 3.961000E+00 3.561000E-01 1.726000E-03 337 103 4.000000E+00 3.565000E-01 1.746000E-03 337 104 4.039000E+00 3.569000E-01 1.764000E-03 337 105 4.078000E+00 3.572000E-01 1.780000E-03 337 106 4.118000E+00 3.575000E-01 1.793000E-03 337 107 4.157000E+00 3.577000E-01 1.804000E-03 337 108 4.196000E+00 3.578000E-01 1.812000E-03 337 109 4.235000E+00 3.579000E-01 1.817000E-03 337 110 4.275000E+00 3.579000E-01 1.820000E-03 337 111 4.314000E+00 3.579000E-01 1.821000E-03 337 112 4.353000E+00 3.577000E-01 1.821000E-03 337 113 4.392000E+00 3.575000E-01 1.821000E-03 337 114 4.431000E+00 3.573000E-01 1.821000E-03 337 115 4.471000E+00 3.569000E-01 1.822000E-03 337 116 4.510000E+00 3.565000E-01 1.824000E-03 337 117 4.549000E+00 3.560000E-01 1.829000E-03 337 118 4.588000E+00 3.555000E-01 1.836000E-03 337 119 4.627000E+00 3.548000E-01 1.847000E-03 337 120 4.667000E+00 3.541000E-01 1.861000E-03 337 121 4.706000E+00 3.533000E-01 1.878000E-03 337 122 4.745000E+00 3.524000E-01 1.898000E-03 337 123 4.784000E+00 3.515000E-01 1.921000E-03 337 124 4.824000E+00 3.504000E-01 1.945000E-03 337 125 4.863000E+00 3.493000E-01 1.971000E-03 337 126 4.902000E+00 3.481000E-01 1.998000E-03 337 127 4.941000E+00 3.467000E-01 2.024000E-03 337 128 4.980000E+00 3.453000E-01 2.050000E-03 337 129 5.020000E+00 3.439000E-01 2.075000E-03 337 130 5.059000E+00 3.423000E-01 2.097000E-03 337 131 5.098000E+00 3.406000E-01 2.118000E-03 337 132 5.137000E+00 3.388000E-01 2.135000E-03 337 133 5.176000E+00 3.369000E-01 2.150000E-03 337 134 5.216000E+00 3.349000E-01 2.161000E-03 337 135 5.255000E+00 3.328000E-01 2.170000E-03 337 136 5.294000E+00 3.306000E-01 2.176000E-03 337 137 5.333000E+00 3.283000E-01 2.180000E-03 337 138 5.373000E+00 3.259000E-01 2.183000E-03 337 139 5.412000E+00 3.233000E-01 2.184000E-03 337 140 5.451000E+00 3.206000E-01 2.185000E-03 337 141 5.490000E+00 3.179000E-01 2.186000E-03 337 142 5.529000E+00 3.150000E-01 2.188000E-03 337 143 5.569000E+00 3.119000E-01 2.192000E-03 337 144 5.608000E+00 3.088000E-01 2.197000E-03 337 145 5.647000E+00 3.055000E-01 2.205000E-03 337 146 5.686000E+00 3.021000E-01 2.216000E-03 337 147 5.725000E+00 2.986000E-01 2.230000E-03 337 148 5.765000E+00 2.950000E-01 2.247000E-03 337 149 5.804000E+00 2.913000E-01 2.266000E-03 337 150 5.843000E+00 2.874000E-01 2.288000E-03 337 151 5.882000E+00 2.834000E-01 2.312000E-03 337 152 5.922000E+00 2.794000E-01 2.336000E-03 337 153 5.961000E+00 2.752000E-01 2.362000E-03 337 154 6.000000E+00 2.709000E-01 2.387000E-03 337 155 6.039000E+00 2.666000E-01 2.412000E-03 337 156 6.078000E+00 2.621000E-01 2.435000E-03 337 157 6.118000E+00 2.576000E-01 2.456000E-03 337 158 6.157000E+00 2.530000E-01 2.475000E-03 337 159 6.196000E+00 2.483000E-01 2.492000E-03 337 160 6.235000E+00 2.436000E-01 2.505000E-03 337 161 6.275000E+00 2.388000E-01 2.515000E-03 337 162 6.314000E+00 2.340000E-01 2.523000E-03 337 163 6.353000E+00 2.291000E-01 2.527000E-03 337 164 6.392000E+00 2.242000E-01 2.529000E-03 337 165 6.431000E+00 2.193000E-01 2.528000E-03 337 166 6.471000E+00 2.143000E-01 2.525000E-03 337 167 6.510000E+00 2.094000E-01 2.521000E-03 337 168 6.549000E+00 2.044000E-01 2.516000E-03 337 169 6.588000E+00 1.995000E-01 2.511000E-03 337 170 6.627000E+00 1.945000E-01 2.506000E-03 337 171 6.667000E+00 1.896000E-01 2.501000E-03 337 172 6.706000E+00 1.848000E-01 2.498000E-03 337 173 6.745000E+00 1.799000E-01 2.496000E-03 337 174 6.784000E+00 1.751000E-01 2.495000E-03 337 175 6.824000E+00 1.704000E-01 2.497000E-03 337 176 6.863000E+00 1.657000E-01 2.500000E-03 337 177 6.902000E+00 1.610000E-01 2.506000E-03 337 178 6.941000E+00 1.564000E-01 2.512000E-03 337 179 6.980000E+00 1.519000E-01 2.520000E-03 337 180 7.020000E+00 1.475000E-01 2.529000E-03 337 181 7.059000E+00 1.431000E-01 2.538000E-03 337 182 7.098000E+00 1.388000E-01 2.547000E-03 337 183 7.137000E+00 1.345000E-01 2.556000E-03 337 184 7.176000E+00 1.304000E-01 2.564000E-03 337 185 7.216000E+00 1.263000E-01 2.570000E-03 337 186 7.255000E+00 1.223000E-01 2.575000E-03 337 187 7.294000E+00 1.184000E-01 2.577000E-03 337 188 7.333000E+00 1.146000E-01 2.578000E-03 337 189 7.373000E+00 1.108000E-01 2.576000E-03 337 190 7.412000E+00 1.072000E-01 2.571000E-03 337 191 7.451000E+00 1.036000E-01 2.565000E-03 337 192 7.490000E+00 1.001000E-01 2.556000E-03 337 193 7.529000E+00 9.664000E-02 2.545000E-03 337 194 7.569000E+00 9.329000E-02 2.533000E-03 337 195 7.608000E+00 9.002000E-02 2.520000E-03 337 196 7.647000E+00 8.682000E-02 2.506000E-03 337 197 7.686000E+00 8.371000E-02 2.491000E-03 337 198 7.725000E+00 8.066000E-02 2.477000E-03 337 199 7.765000E+00 7.769000E-02 2.464000E-03 337 200 7.804000E+00 7.480000E-02 2.452000E-03 337 201 7.843000E+00 7.197000E-02 2.442000E-03 337 202 7.882000E+00 6.922000E-02 2.434000E-03 337 203 7.922000E+00 6.653000E-02 2.428000E-03 337 204 7.961000E+00 6.392000E-02 2.425000E-03 337 205 8.000000E+00 6.137000E-02 2.424000E-03 337 206 8.039000E+00 5.889000E-02 2.427000E-03 337 207 8.078000E+00 5.648000E-02 2.432000E-03 337 208 8.118000E+00 5.414000E-02 2.441000E-03 337 209 8.157000E+00 5.187000E-02 2.452000E-03 337 210 8.196000E+00 4.967000E-02 2.467000E-03 337 211 8.235000E+00 4.754000E-02 2.483000E-03 337 212 8.275000E+00 4.547000E-02 2.502000E-03 337 213 8.314000E+00 4.347000E-02 2.522000E-03 337 214 8.353000E+00 4.155000E-02 2.544000E-03 337 215 8.392000E+00 3.969000E-02 2.568000E-03 337 216 8.431000E+00 3.790000E-02 2.592000E-03 337 217 8.471000E+00 3.618000E-02 2.617000E-03 337 218 8.510000E+00 3.454000E-02 2.642000E-03 337 219 8.549000E+00 3.296000E-02 2.667000E-03 337 220 8.588000E+00 3.145000E-02 2.691000E-03 337 221 8.627000E+00 3.001000E-02 2.715000E-03 337 222 8.667000E+00 2.863000E-02 2.738000E-03 337 223 8.706000E+00 2.733000E-02 2.760000E-03 337 224 8.745000E+00 2.609000E-02 2.780000E-03 337 225 8.784000E+00 2.491000E-02 2.798000E-03 337 226 8.824000E+00 2.379000E-02 2.813000E-03 337 227 8.863000E+00 2.274000E-02 2.827000E-03 337 228 8.902000E+00 2.175000E-02 2.837000E-03 337 229 8.941000E+00 2.081000E-02 2.843000E-03 337 230 8.980000E+00 1.992000E-02 2.847000E-03 337 231 9.020000E+00 1.908000E-02 2.845000E-03 337 232 9.059000E+00 1.829000E-02 2.840000E-03 337 233 9.098000E+00 1.753000E-02 2.829000E-03 337 234 9.137000E+00 1.682000E-02 2.813000E-03 337 235 9.176000E+00 1.614000E-02 2.792000E-03 337 236 9.216000E+00 1.548000E-02 2.763000E-03 337 237 9.255000E+00 1.485000E-02 2.728000E-03 337 238 9.294000E+00 1.424000E-02 2.686000E-03 337 239 9.333000E+00 1.364000E-02 2.636000E-03 337 240 9.373000E+00 1.304000E-02 2.577000E-03 337 241 9.412000E+00 1.245000E-02 2.510000E-03 337 242 9.451000E+00 1.185000E-02 2.433000E-03 337 243 9.490000E+00 1.125000E-02 2.345000E-03 337 244 9.529000E+00 1.063000E-02 2.247000E-03 337 245 9.569000E+00 9.982000E-03 2.138000E-03 337 246 9.608000E+00 9.311000E-03 2.016000E-03 337 247 9.647000E+00 8.608000E-03 1.882000E-03 337 248 9.686000E+00 7.867000E-03 1.735000E-03 337 249 9.725000E+00 7.082000E-03 1.573000E-03 337 250 9.765000E+00 6.250000E-03 1.397000E-03 337 251 9.804000E+00 5.365000E-03 1.206000E-03 337 252 9.843000E+00 4.423000E-03 9.985000E-04 337 253 9.882000E+00 3.419000E-03 7.749000E-04 337 254 9.922000E+00 2.350000E-03 5.343000E-04 337 255 9.961000E+00 1.211000E-03 2.761000E-04 337 256 1.000000E+01 0.000000E+00 0.000000E+00 # loop_ _sas_p_of_R_extrapolated_intensity.id _sas_p_of_R_extrapolated_intensity.ordinal _sas_p_of_R_extrapolated_intensity.momentum_transfer _sas_p_of_R_extrapolated_intensity.intensity_reg 337 1 0.000000E+00 2.764540E+01 337 2 6.283140E-03 2.764180E+01 337 3 1.256630E-02 2.763140E+01 337 4 1.884940E-02 2.761400E+01 337 5 2.513260E-02 2.758960E+01 337 6 3.141570E-02 2.755830E+01 337 7 3.769890E-02 2.752010E+01 337 8 4.398200E-02 2.747510E+01 337 9 5.026510E-02 2.742320E+01 337 10 5.654830E-02 2.736450E+01 337 11 6.283140E-02 2.729900E+01 337 12 6.911460E-02 2.722690E+01 337 13 7.539770E-02 2.714820E+01 337 14 8.168090E-02 2.706280E+01 337 15 8.796400E-02 2.697100E+01 337 16 9.424710E-02 2.687280E+01 337 17 1.005300E-01 2.676820E+01 337 18 1.068130E-01 2.665730E+01 337 19 1.130970E-01 2.654030E+01 337 20 1.193800E-01 2.641720E+01 337 21 1.256630E-01 2.628810E+01 337 22 1.319460E-01 2.615310E+01 337 23 1.382290E-01 2.601240E+01 337 24 1.445120E-01 2.586600E+01 337 25 1.507950E-01 2.571400E+01 337 26 1.570790E-01 2.555670E+01 337 27 1.633620E-01 2.539400E+01 337 28 1.696450E-01 2.522610E+01 337 29 1.759280E-01 2.505320E+01 337 30 1.786680E-01 2.497630E+01 337 31 1.814090E-01 2.489840E+01 337 32 1.841490E-01 2.481960E+01 337 33 1.868890E-01 2.473990E+01 337 34 1.896300E-01 2.465930E+01 337 35 1.923700E-01 2.457780E+01 337 36 1.951100E-01 2.449550E+01 337 37 1.978510E-01 2.441230E+01 337 38 2.005910E-01 2.432830E+01 337 39 2.033310E-01 2.424340E+01 337 40 2.060710E-01 2.415770E+01 337 41 2.088120E-01 2.407120E+01 337 42 2.115520E-01 2.398400E+01 337 43 2.142920E-01 2.389590E+01 337 44 2.170330E-01 2.380710E+01 337 45 2.197730E-01 2.371750E+01 337 46 2.225130E-01 2.362720E+01 337 47 2.252540E-01 2.353610E+01 337 48 2.279940E-01 2.344430E+01 337 49 2.307340E-01 2.335190E+01 337 50 2.334750E-01 2.325870E+01 337 51 2.362150E-01 2.316480E+01 337 52 2.389550E-01 2.307030E+01 337 53 2.416960E-01 2.297510E+01 337 54 2.444360E-01 2.287930E+01 337 55 2.471760E-01 2.278290E+01 337 56 2.499160E-01 2.268580E+01 337 57 2.526570E-01 2.258810E+01 337 58 2.553970E-01 2.248990E+01 337 59 2.581370E-01 2.239110E+01 337 60 2.608780E-01 2.229170E+01 337 61 2.636180E-01 2.219180E+01 337 62 2.663580E-01 2.209130E+01 337 63 2.690990E-01 2.199030E+01 337 64 2.718390E-01 2.188880E+01 337 65 2.745790E-01 2.178680E+01 337 66 2.773200E-01 2.168430E+01 337 67 2.800600E-01 2.158140E+01 337 68 2.828000E-01 2.147800E+01 337 69 2.855400E-01 2.137420E+01 337 70 2.882810E-01 2.126990E+01 337 71 2.910210E-01 2.116530E+01 337 72 2.937610E-01 2.106020E+01 337 73 2.965020E-01 2.095470E+01 337 74 2.992420E-01 2.084890E+01 337 75 3.019820E-01 2.074270E+01 337 76 3.047230E-01 2.063620E+01 337 77 3.074630E-01 2.052930E+01 337 78 3.102030E-01 2.042210E+01 337 79 3.129440E-01 2.031460E+01 337 80 3.156840E-01 2.020680E+01 337 81 3.184240E-01 2.009880E+01 337 82 3.211640E-01 1.999050E+01 337 83 3.239050E-01 1.988190E+01 337 84 3.266450E-01 1.977310E+01 337 85 3.293850E-01 1.966400E+01 337 86 3.321260E-01 1.955470E+01 337 87 3.348660E-01 1.944530E+01 337 88 3.376060E-01 1.933560E+01 337 89 3.403470E-01 1.922580E+01 337 90 3.430870E-01 1.911580E+01 337 91 3.458270E-01 1.900570E+01 337 92 3.485680E-01 1.889540E+01 337 93 3.513080E-01 1.878500E+01 337 94 3.540480E-01 1.867460E+01 337 95 3.567880E-01 1.856400E+01 337 96 3.595290E-01 1.845330E+01 337 97 3.622690E-01 1.834260E+01 337 98 3.650090E-01 1.823180E+01 337 99 3.677500E-01 1.812090E+01 337 100 3.704900E-01 1.801000E+01 337 101 3.732300E-01 1.789910E+01 337 102 3.759710E-01 1.778820E+01 337 103 3.787110E-01 1.767730E+01 337 104 3.814510E-01 1.756640E+01 337 105 3.841920E-01 1.745550E+01 337 106 3.869320E-01 1.734470E+01 337 107 3.896720E-01 1.723390E+01 337 108 3.924130E-01 1.712320E+01 337 109 3.951530E-01 1.701250E+01 337 110 3.978930E-01 1.690200E+01 337 111 4.006330E-01 1.679160E+01 337 112 4.033740E-01 1.668120E+01 337 113 4.061140E-01 1.657100E+01 337 114 4.088540E-01 1.646090E+01 337 115 4.115950E-01 1.635090E+01 337 116 4.143350E-01 1.624110E+01 337 117 4.170750E-01 1.613150E+01 337 118 4.198160E-01 1.602200E+01 337 119 4.225560E-01 1.591270E+01 337 120 4.252960E-01 1.580360E+01 337 121 4.280370E-01 1.569470E+01 337 122 4.307770E-01 1.558610E+01 337 123 4.335170E-01 1.547770E+01 337 124 4.362570E-01 1.536950E+01 337 125 4.389980E-01 1.526150E+01 337 126 4.417380E-01 1.515380E+01 337 127 4.444780E-01 1.504640E+01 337 128 4.472190E-01 1.493920E+01 337 129 4.499590E-01 1.483230E+01 337 130 4.526990E-01 1.472580E+01 337 131 4.554400E-01 1.461950E+01 337 132 4.581800E-01 1.451350E+01 337 133 4.609200E-01 1.440790E+01 337 134 4.636610E-01 1.430260E+01 337 135 4.664010E-01 1.419760E+01 337 136 4.691410E-01 1.409300E+01 337 137 4.718810E-01 1.398880E+01 337 138 4.746220E-01 1.388490E+01 337 139 4.773620E-01 1.378130E+01 337 140 4.801020E-01 1.367820E+01 337 141 4.828430E-01 1.357540E+01 337 142 4.855830E-01 1.347310E+01 337 143 4.883230E-01 1.337110E+01 337 144 4.910640E-01 1.326960E+01 337 145 4.938040E-01 1.316850E+01 337 146 4.965440E-01 1.306780E+01 337 147 4.992850E-01 1.296750E+01 337 148 5.020250E-01 1.286770E+01 337 149 5.047650E-01 1.276830E+01 337 150 5.075050E-01 1.266940E+01 337 151 5.102460E-01 1.257090E+01 337 152 5.129860E-01 1.247300E+01 337 153 5.157260E-01 1.237540E+01 337 154 5.184670E-01 1.227840E+01 337 155 5.212070E-01 1.218180E+01 337 156 5.239470E-01 1.208580E+01 337 157 5.266880E-01 1.199020E+01 337 158 5.294280E-01 1.189520E+01 337 159 5.321680E-01 1.180060E+01 337 160 5.349090E-01 1.170660E+01 337 161 5.376490E-01 1.161300E+01 337 162 5.403890E-01 1.152010E+01 337 163 5.431290E-01 1.142760E+01 337 164 5.458700E-01 1.133560E+01 337 165 5.486100E-01 1.124430E+01 337 166 5.513500E-01 1.115340E+01 337 167 5.540910E-01 1.106310E+01 337 168 5.568310E-01 1.097330E+01 337 169 5.595710E-01 1.088410E+01 337 170 5.623120E-01 1.079550E+01 337 171 5.650520E-01 1.070740E+01 337 172 5.677920E-01 1.061990E+01 337 173 5.705330E-01 1.053290E+01 337 174 5.732730E-01 1.044660E+01 337 175 5.760130E-01 1.036080E+01 337 176 5.787540E-01 1.027550E+01 337 177 5.814940E-01 1.019090E+01 337 178 5.842340E-01 1.010690E+01 337 179 5.869740E-01 1.002340E+01 337 180 5.897150E-01 9.940540E+00 337 181 5.924550E-01 9.858280E+00 337 182 5.951950E-01 9.776610E+00 337 183 5.979360E-01 9.695500E+00 337 184 6.006760E-01 9.615020E+00 337 185 6.034160E-01 9.535150E+00 337 186 6.061570E-01 9.455850E+00 337 187 6.088970E-01 9.377180E+00 337 188 6.116370E-01 9.299120E+00 337 189 6.143780E-01 9.221640E+00 337 190 6.171180E-01 9.144800E+00 337 191 6.198580E-01 9.068560E+00 337 192 6.225980E-01 8.992940E+00 337 193 6.253390E-01 8.917900E+00 337 194 6.280790E-01 8.843500E+00 337 195 6.308190E-01 8.769720E+00 337 196 6.335600E-01 8.696520E+00 337 197 6.363000E-01 8.623960E+00 337 198 6.390400E-01 8.552020E+00 337 199 6.417810E-01 8.480670E+00 337 200 6.445210E-01 8.409950E+00 337 201 6.472610E-01 8.339860E+00 337 202 6.500020E-01 8.270350E+00 337 203 6.527420E-01 8.201480E+00 337 204 6.554820E-01 8.133220E+00 337 205 6.582220E-01 8.065580E+00 337 206 6.609630E-01 7.998530E+00 337 207 6.637030E-01 7.932120E+00 337 208 6.664430E-01 7.866310E+00 337 209 6.691840E-01 7.801090E+00 337 210 6.719240E-01 7.736510E+00 337 211 6.746640E-01 7.672540E+00 337 212 6.774050E-01 7.609150E+00 337 213 6.801450E-01 7.546380E+00 337 214 6.828850E-01 7.484230E+00 337 215 6.856260E-01 7.422650E+00 337 216 6.883660E-01 7.361700E+00 337 217 6.911060E-01 7.301350E+00 337 218 6.938460E-01 7.241590E+00 337 219 6.965870E-01 7.182410E+00 337 220 6.993270E-01 7.123850E+00 337 221 7.020670E-01 7.065880E+00 337 222 7.048080E-01 7.008480E+00 337 223 7.075480E-01 6.951690E+00 337 224 7.102880E-01 6.895480E+00 337 225 7.130290E-01 6.839840E+00 337 226 7.157690E-01 6.784790E+00 337 227 7.185090E-01 6.730330E+00 337 228 7.212500E-01 6.676420E+00 337 229 7.239900E-01 6.623110E+00 337 230 7.267300E-01 6.570360E+00 337 231 7.294710E-01 6.518170E+00 337 232 7.322110E-01 6.466560E+00 337 233 7.349510E-01 6.415510E+00 337 234 7.376910E-01 6.365020E+00 337 235 7.404320E-01 6.315070E+00 337 236 7.431720E-01 6.265690E+00 337 237 7.459120E-01 6.216850E+00 337 238 7.486530E-01 6.168550E+00 337 239 7.513930E-01 6.120810E+00 337 240 7.541330E-01 6.073610E+00 337 241 7.568740E-01 6.026920E+00 337 242 7.596140E-01 5.980790E+00 337 243 7.623540E-01 5.935180E+00 337 244 7.650950E-01 5.890080E+00 337 245 7.678350E-01 5.845530E+00 337 246 7.705750E-01 5.801490E+00 337 247 7.733150E-01 5.757970E+00 337 248 7.760560E-01 5.714940E+00 337 249 7.787960E-01 5.672430E+00 337 250 7.815360E-01 5.630430E+00 337 251 7.842770E-01 5.588910E+00 337 252 7.870170E-01 5.547900E+00 337 253 7.897570E-01 5.507380E+00 337 254 7.924980E-01 5.467340E+00 337 255 7.952380E-01 5.427790E+00 337 256 7.979780E-01 5.388720E+00 337 257 8.007190E-01 5.350120E+00 337 258 8.034590E-01 5.311990E+00 337 259 8.061990E-01 5.274340E+00 337 260 8.089390E-01 5.237150E+00 337 261 8.116800E-01 5.200400E+00 337 262 8.144200E-01 5.164120E+00 337 263 8.171600E-01 5.128290E+00 337 264 8.199010E-01 5.092890E+00 337 265 8.226410E-01 5.057940E+00 337 266 8.253810E-01 5.023440E+00 337 267 8.281220E-01 4.989350E+00 337 268 8.308620E-01 4.955700E+00 337 269 8.336020E-01 4.922480E+00 337 270 8.363430E-01 4.889660E+00 337 271 8.390830E-01 4.857270E+00 337 272 8.418230E-01 4.825300E+00 337 273 8.445630E-01 4.793720E+00 337 274 8.473040E-01 4.762540E+00 337 275 8.500440E-01 4.731770E+00 337 276 8.527840E-01 4.701380E+00 337 277 8.555250E-01 4.671380E+00 337 278 8.582650E-01 4.641770E+00 337 279 8.610050E-01 4.612540E+00 337 280 8.637460E-01 4.583680E+00 337 281 8.664860E-01 4.555190E+00 337 282 8.692260E-01 4.527070E+00 337 283 8.719670E-01 4.499300E+00 337 284 8.747070E-01 4.471900E+00 337 285 8.774470E-01 4.444860E+00 337 286 8.801870E-01 4.418160E+00 337 287 8.829280E-01 4.391790E+00 337 288 8.856680E-01 4.365770E+00 337 289 8.884080E-01 4.340090E+00 337 290 8.911490E-01 4.314730E+00 337 291 8.938890E-01 4.289700E+00 337 292 8.966290E-01 4.265000E+00 337 293 8.993700E-01 4.240600E+00 337 294 9.021100E-01 4.216520E+00 337 295 9.048500E-01 4.192760E+00 337 296 9.075910E-01 4.169280E+00 337 297 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1115 3.154640E+00 8.499020E-02 337 1116 3.157380E+00 8.482630E-02 337 1117 3.160120E+00 8.466410E-02 337 1118 3.162860E+00 8.450390E-02 337 1119 3.165610E+00 8.434440E-02 337 1120 3.168350E+00 8.418750E-02 337 1121 3.171090E+00 8.403230E-02 337 1122 3.173830E+00 8.387890E-02 337 1123 3.176570E+00 8.372700E-02 337 1124 3.179310E+00 8.357690E-02 337 1125 3.182050E+00 8.342840E-02 337 1126 3.184790E+00 8.328120E-02 337 1127 3.187530E+00 8.313560E-02 337 1128 3.190270E+00 8.299220E-02 337 1129 3.193010E+00 8.285080E-02 337 1130 3.195750E+00 8.271040E-02 337 1131 3.198490E+00 8.257150E-02 337 1132 3.201230E+00 8.243430E-02 337 1133 3.203970E+00 8.229840E-02 337 1134 3.206710E+00 8.216410E-02 337 1135 3.209450E+00 8.203130E-02 337 1136 3.212190E+00 8.190010E-02 337 1137 3.214930E+00 8.177010E-02 337 1138 3.217670E+00 8.164160E-02 337 1139 3.220410E+00 8.151460E-02 337 1140 3.223150E+00 8.138890E-02 337 1141 3.225890E+00 8.126460E-02 337 1142 3.228630E+00 8.114220E-02 337 1143 3.231370E+00 8.102060E-02 337 1144 3.234110E+00 8.089970E-02 337 1145 3.236850E+00 8.078080E-02 337 1146 3.239590E+00 8.066300E-02 337 1147 3.242330E+00 8.054640E-02 # data_SASDBJ4_FIT_427 # _sas_model_fitting_details.id 427 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 2.7556 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 337 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 427 1 0.000000E+00 0.000000E+00 2.691250E+01 427 2 2.000000E-03 0.000000E+00 2.687930E+01 427 3 4.000000E-03 0.000000E+00 2.678140E+01 427 4 6.000000E-03 0.000000E+00 2.661960E+01 427 5 8.000000E-03 0.000000E+00 2.639490E+01 427 6 1.000000E-02 0.000000E+00 2.610890E+01 427 7 1.200000E-02 0.000000E+00 2.576360E+01 427 8 1.400000E-02 0.000000E+00 2.536150E+01 427 9 1.403040E-02 2.619220E+01 2.535500E+01 427 10 1.430440E-02 3.633600E+01 2.529560E+01 427 11 1.457850E-02 2.383100E+01 2.523510E+01 427 12 1.485250E-02 3.385570E+01 2.517370E+01 427 13 1.512650E-02 2.881420E+01 2.511130E+01 427 14 1.540060E-02 2.516080E+01 2.504790E+01 427 15 1.567460E-02 3.055250E+01 2.498350E+01 427 16 1.594860E-02 2.565690E+01 2.491820E+01 427 17 1.622270E-02 2.472040E+01 2.485190E+01 427 18 1.649670E-02 2.481350E+01 2.478470E+01 427 19 1.677070E-02 2.722530E+01 2.471660E+01 427 20 1.704470E-02 2.763440E+01 2.464760E+01 427 21 1.731880E-02 3.179530E+01 2.457760E+01 427 22 1.759280E-02 2.815750E+01 2.450680E+01 427 23 1.786680E-02 2.638170E+01 2.443510E+01 427 24 1.814090E-02 2.609790E+01 2.436240E+01 427 25 1.841490E-02 2.722940E+01 2.428890E+01 427 26 1.868890E-02 2.418370E+01 2.421460E+01 427 27 1.896300E-02 2.384550E+01 2.413940E+01 427 28 1.923700E-02 2.392830E+01 2.406340E+01 427 29 1.951100E-02 2.808700E+01 2.398650E+01 427 30 1.978510E-02 2.680060E+01 2.390880E+01 427 31 2.005910E-02 2.705810E+01 2.383030E+01 427 32 2.033310E-02 2.878660E+01 2.375100E+01 427 33 2.060710E-02 2.341120E+01 2.367090E+01 427 34 2.088120E-02 2.238980E+01 2.359000E+01 427 35 2.115520E-02 2.623950E+01 2.350840E+01 427 36 2.142920E-02 2.569470E+01 2.342600E+01 427 37 2.170330E-02 2.407310E+01 2.334280E+01 427 38 2.197730E-02 2.592660E+01 2.325900E+01 427 39 2.225130E-02 2.536960E+01 2.317440E+01 427 40 2.252540E-02 2.605530E+01 2.308910E+01 427 41 2.279940E-02 2.160130E+01 2.300310E+01 427 42 2.307340E-02 2.635590E+01 2.291640E+01 427 43 2.334750E-02 2.482640E+01 2.282900E+01 427 44 2.362150E-02 2.498830E+01 2.274100E+01 427 45 2.389550E-02 2.284760E+01 2.265230E+01 427 46 2.416960E-02 2.415910E+01 2.256290E+01 427 47 2.444360E-02 2.265370E+01 2.247300E+01 427 48 2.471760E-02 2.134100E+01 2.238240E+01 427 49 2.499160E-02 2.328240E+01 2.229120E+01 427 50 2.526570E-02 2.422340E+01 2.219940E+01 427 51 2.553970E-02 2.419480E+01 2.210710E+01 427 52 2.581370E-02 2.323830E+01 2.201420E+01 427 53 2.608780E-02 2.400050E+01 2.192060E+01 427 54 2.636180E-02 2.020280E+01 2.182660E+01 427 55 2.663580E-02 2.346570E+01 2.173200E+01 427 56 2.690990E-02 2.283940E+01 2.163690E+01 427 57 2.718390E-02 2.182800E+01 2.154130E+01 427 58 2.745790E-02 2.236900E+01 2.144520E+01 427 59 2.773200E-02 2.302560E+01 2.134860E+01 427 60 2.800600E-02 2.185410E+01 2.125150E+01 427 61 2.828000E-02 2.171250E+01 2.115400E+01 427 62 2.855400E-02 2.184610E+01 2.105600E+01 427 63 2.882810E-02 2.175520E+01 2.095750E+01 427 64 2.910210E-02 2.200410E+01 2.085860E+01 427 65 2.937610E-02 2.157260E+01 2.075930E+01 427 66 2.965020E-02 2.101540E+01 2.065960E+01 427 67 2.992420E-02 2.169830E+01 2.055950E+01 427 68 3.019820E-02 2.129360E+01 2.045900E+01 427 69 3.047230E-02 2.084220E+01 2.035810E+01 427 70 3.074630E-02 2.100930E+01 2.025690E+01 427 71 3.102030E-02 2.071760E+01 2.015530E+01 427 72 3.129440E-02 2.087370E+01 2.005340E+01 427 73 3.156840E-02 2.002530E+01 1.995120E+01 427 74 3.184240E-02 2.058720E+01 1.984870E+01 427 75 3.211640E-02 1.983590E+01 1.974580E+01 427 76 3.239050E-02 1.976890E+01 1.964270E+01 427 77 3.266450E-02 2.032970E+01 1.953930E+01 427 78 3.293850E-02 2.064650E+01 1.943570E+01 427 79 3.321260E-02 2.000760E+01 1.933180E+01 427 80 3.348660E-02 1.860110E+01 1.922770E+01 427 81 3.376060E-02 1.878180E+01 1.912330E+01 427 82 3.403470E-02 1.912960E+01 1.901880E+01 427 83 3.430870E-02 1.932730E+01 1.891400E+01 427 84 3.458270E-02 1.866130E+01 1.880910E+01 427 85 3.485680E-02 1.902660E+01 1.870390E+01 427 86 3.513080E-02 1.903690E+01 1.859870E+01 427 87 3.540480E-02 1.834180E+01 1.849330E+01 427 88 3.567880E-02 1.891830E+01 1.838770E+01 427 89 3.595290E-02 1.902340E+01 1.828200E+01 427 90 3.622690E-02 1.850740E+01 1.817620E+01 427 91 3.650090E-02 1.801410E+01 1.807030E+01 427 92 3.677500E-02 1.787540E+01 1.796430E+01 427 93 3.704900E-02 1.851910E+01 1.785820E+01 427 94 3.732300E-02 1.791730E+01 1.775200E+01 427 95 3.759710E-02 1.716300E+01 1.764580E+01 427 96 3.787110E-02 1.731640E+01 1.753950E+01 427 97 3.814510E-02 1.722230E+01 1.743320E+01 427 98 3.841920E-02 1.698050E+01 1.732690E+01 427 99 3.869320E-02 1.753810E+01 1.722050E+01 427 100 3.896720E-02 1.675300E+01 1.711420E+01 427 101 3.924130E-02 1.799330E+01 1.700780E+01 427 102 3.951530E-02 1.740010E+01 1.690140E+01 427 103 3.978930E-02 1.601580E+01 1.679510E+01 427 104 4.006330E-02 1.624860E+01 1.668890E+01 427 105 4.033740E-02 1.667770E+01 1.658260E+01 427 106 4.061140E-02 1.662810E+01 1.647640E+01 427 107 4.088540E-02 1.583710E+01 1.637030E+01 427 108 4.115950E-02 1.669490E+01 1.626420E+01 427 109 4.143350E-02 1.596900E+01 1.615830E+01 427 110 4.170750E-02 1.610700E+01 1.605250E+01 427 111 4.198160E-02 1.544280E+01 1.594670E+01 427 112 4.225560E-02 1.529340E+01 1.584110E+01 427 113 4.252960E-02 1.599860E+01 1.573560E+01 427 114 4.280370E-02 1.572790E+01 1.563030E+01 427 115 4.307770E-02 1.582080E+01 1.552510E+01 427 116 4.335170E-02 1.534630E+01 1.542010E+01 427 117 4.362570E-02 1.539680E+01 1.531530E+01 427 118 4.389980E-02 1.530310E+01 1.521060E+01 427 119 4.417380E-02 1.521020E+01 1.510620E+01 427 120 4.444780E-02 1.491740E+01 1.500190E+01 427 121 4.472190E-02 1.501200E+01 1.489790E+01 427 122 4.499590E-02 1.485060E+01 1.479410E+01 427 123 4.526990E-02 1.494420E+01 1.469050E+01 427 124 4.554400E-02 1.458790E+01 1.458720E+01 427 125 4.581800E-02 1.448560E+01 1.448410E+01 427 126 4.609200E-02 1.434460E+01 1.438130E+01 427 127 4.636610E-02 1.396500E+01 1.427870E+01 427 128 4.664010E-02 1.384360E+01 1.417650E+01 427 129 4.691410E-02 1.397040E+01 1.407450E+01 427 130 4.718810E-02 1.372570E+01 1.397280E+01 427 131 4.746220E-02 1.397810E+01 1.387140E+01 427 132 4.773620E-02 1.357550E+01 1.377030E+01 427 133 4.801020E-02 1.335750E+01 1.366960E+01 427 134 4.828430E-02 1.369340E+01 1.356910E+01 427 135 4.855830E-02 1.320570E+01 1.346900E+01 427 136 4.883230E-02 1.337120E+01 1.336920E+01 427 137 4.910640E-02 1.316260E+01 1.326980E+01 427 138 4.938040E-02 1.309930E+01 1.317070E+01 427 139 4.965440E-02 1.293560E+01 1.307200E+01 427 140 4.992850E-02 1.283310E+01 1.297360E+01 427 141 5.020250E-02 1.274850E+01 1.287560E+01 427 142 5.047650E-02 1.270720E+01 1.277800E+01 427 143 5.075050E-02 1.268790E+01 1.268080E+01 427 144 5.102460E-02 1.234780E+01 1.258390E+01 427 145 5.129860E-02 1.237950E+01 1.248750E+01 427 146 5.157260E-02 1.226740E+01 1.239150E+01 427 147 5.184670E-02 1.216090E+01 1.229590E+01 427 148 5.212070E-02 1.233320E+01 1.220070E+01 427 149 5.239470E-02 1.214410E+01 1.210600E+01 427 150 5.266880E-02 1.183290E+01 1.201170E+01 427 151 5.294280E-02 1.212060E+01 1.191780E+01 427 152 5.321680E-02 1.171620E+01 1.182440E+01 427 153 5.349090E-02 1.156810E+01 1.173140E+01 427 154 5.376490E-02 1.171500E+01 1.163900E+01 427 155 5.403890E-02 1.153990E+01 1.154700E+01 427 156 5.431290E-02 1.143850E+01 1.145540E+01 427 157 5.458700E-02 1.133070E+01 1.136440E+01 427 158 5.486100E-02 1.095450E+01 1.127380E+01 427 159 5.513500E-02 1.120230E+01 1.118370E+01 427 160 5.540910E-02 1.098350E+01 1.109410E+01 427 161 5.568310E-02 1.114300E+01 1.100510E+01 427 162 5.595710E-02 1.060940E+01 1.091650E+01 427 163 5.623120E-02 1.050620E+01 1.082840E+01 427 164 5.650520E-02 1.072490E+01 1.074090E+01 427 165 5.677920E-02 1.070630E+01 1.065390E+01 427 166 5.705330E-02 1.042590E+01 1.056740E+01 427 167 5.732730E-02 1.050570E+01 1.048140E+01 427 168 5.760130E-02 1.031000E+01 1.039590E+01 427 169 5.787540E-02 1.025230E+01 1.031100E+01 427 170 5.814940E-02 1.017480E+01 1.022660E+01 427 171 5.842340E-02 1.024920E+01 1.014280E+01 427 172 5.869740E-02 1.026750E+01 1.005950E+01 427 173 5.897150E-02 9.935720E+00 9.976710E+00 427 174 5.924550E-02 9.856410E+00 9.894500E+00 427 175 5.951950E-02 1.004170E+01 9.812850E+00 427 176 5.979360E-02 9.851940E+00 9.731710E+00 427 177 6.006760E-02 9.482610E+00 9.651150E+00 427 178 6.034160E-02 9.529890E+00 9.571150E+00 427 179 6.061570E-02 9.343380E+00 9.491680E+00 427 180 6.088970E-02 9.321920E+00 9.412790E+00 427 181 6.116370E-02 9.416590E+00 9.334480E+00 427 182 6.143780E-02 9.343170E+00 9.256700E+00 427 183 6.171180E-02 9.177910E+00 9.179520E+00 427 184 6.198580E-02 8.980700E+00 9.102920E+00 427 185 6.225980E-02 8.969500E+00 9.026890E+00 427 186 6.253390E-02 8.895190E+00 8.951420E+00 427 187 6.280790E-02 8.912100E+00 8.876550E+00 427 188 6.308190E-02 8.730950E+00 8.802270E+00 427 189 6.335600E-02 8.641750E+00 8.728550E+00 427 190 6.363000E-02 8.663660E+00 8.655430E+00 427 191 6.390400E-02 8.486740E+00 8.582910E+00 427 192 6.417810E-02 8.424050E+00 8.510950E+00 427 193 6.445210E-02 8.311550E+00 8.439610E+00 427 194 6.472610E-02 8.210250E+00 8.368860E+00 427 195 6.500020E-02 8.187220E+00 8.298680E+00 427 196 6.527420E-02 8.351440E+00 8.229110E+00 427 197 6.554820E-02 8.148230E+00 8.160140E+00 427 198 6.582220E-02 8.115000E+00 8.091770E+00 427 199 6.609630E-02 7.904470E+00 8.023960E+00 427 200 6.637030E-02 8.029610E+00 7.956780E+00 427 201 6.664430E-02 7.793810E+00 7.890190E+00 427 202 6.691840E-02 7.769910E+00 7.824170E+00 427 203 6.719240E-02 7.574720E+00 7.758760E+00 427 204 6.746640E-02 7.608360E+00 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-3.843850E-02 1.024400E-01 427 1012 2.891570E-01 8.320760E-02 1.023260E-01 427 1013 2.894310E-01 1.179410E-01 1.022150E-01 427 1014 2.897050E-01 6.518370E-02 1.021070E-01 427 1015 2.899800E-01 7.986910E-02 1.020010E-01 427 1016 2.902540E-01 7.931000E-02 1.018980E-01 427 1017 2.905280E-01 2.528390E-02 1.017980E-01 427 1018 2.908020E-01 1.175900E-01 1.017000E-01 427 1019 2.910760E-01 4.386200E-02 1.016040E-01 427 1020 2.913500E-01 -1.422800E-02 1.015110E-01 427 1021 2.916240E-01 2.582120E-02 1.014210E-01 427 1022 2.918980E-01 3.756190E-02 1.013330E-01 427 1023 2.921720E-01 1.859870E-02 1.012470E-01 427 1024 2.924460E-01 7.556100E-03 1.011630E-01 427 1025 2.927200E-01 6.455670E-02 1.010820E-01 427 1026 2.929940E-01 1.051270E-01 1.010020E-01 427 1027 2.932680E-01 2.985010E-02 1.009250E-01 427 1028 2.935420E-01 1.650440E-02 1.008510E-01 427 1029 2.938160E-01 8.762910E-02 1.007780E-01 427 1030 2.940900E-01 5.768870E-02 1.007070E-01 427 1031 2.943640E-01 -2.970650E-02 1.006380E-01 427 1032 2.946380E-01 1.893590E-02 1.005710E-01 427 1033 2.949120E-01 8.190560E-02 1.005060E-01 427 1034 2.951860E-01 1.134890E-01 1.004430E-01 427 1035 2.954600E-01 3.517480E-02 1.003820E-01 427 1036 2.957340E-01 3.522460E-02 1.003230E-01 427 1037 2.960080E-01 5.022910E-02 1.002650E-01 427 1038 2.962820E-01 1.046740E-01 1.002090E-01 427 1039 2.965560E-01 6.825920E-02 1.001550E-01 427 1040 2.968300E-01 7.597860E-02 1.001020E-01 427 1041 2.971040E-01 5.500180E-02 1.000510E-01 427 1042 2.973780E-01 3.420760E-02 1.000020E-01 427 1043 2.976520E-01 1.366470E-02 9.995390E-02 427 1044 2.979260E-01 1.084460E-01 9.990750E-02 427 1045 2.982000E-01 1.238930E-01 9.986260E-02 427 1046 2.984740E-01 -2.531020E-03 9.981910E-02 427 1047 2.987490E-01 5.172850E-02 9.977680E-02 427 1048 2.990230E-01 9.177480E-02 9.973610E-02 427 1049 2.992970E-01 7.390110E-02 9.969660E-02 427 1050 2.995710E-01 1.476900E-01 9.965850E-02 427 1051 2.998450E-01 2.850310E-02 9.962150E-02 427 1052 3.001190E-01 -2.043520E-02 9.958580E-02 # data_SASDBJ4_MODEL_504 # _sas_model.id 504 _sas_model.type_of_model atomic _sas_model.software SASREF _sas_model.version 7 _sas_model.symmetry P2 _sas_model.comment . _sas_model.fitting_id 427 _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 1366 N N . SER A 504 173 . 0.178 2.422 -29.197 1.00 52.57 ? ? ? ? ? . 173 SER A N 504 ATOM 1367 C CA . SER A 504 173 . 0.444 1.237 -28.311 1.00 52.50 ? ? ? ? ? . 173 SER A CA 504 ATOM 1368 C CB . SER A 504 173 . -0.661 0.175 -28.492 1.00 53.08 ? ? ? ? ? . 173 SER A CB 504 ATOM 1369 O OG . SER A 504 173 . -0.937 -0.076 -29.873 1.00 53.66 ? ? ? ? ? . 173 SER A OG 504 ATOM 1370 C C . SER A 504 173 . 1.847 0.582 -28.456 1.00 52.16 ? ? ? ? ? . 173 SER A C 504 ATOM 1371 O O . SER A 504 173 . 2.150 -0.394 -27.745 1.00 52.60 ? ? ? ? ? . 173 SER A O 504 ATOM 1372 N N . ALA A 504 174 . 2.697 1.088 -29.362 1.00 51.02 ? ? ? ? ? . 174 ALA A N 504 ATOM 1373 C CA . ALA A 504 174 . 4.081 0.566 -29.470 1.00 49.65 ? ? ? ? ? . 174 ALA A CA 504 ATOM 1374 C CB . ALA A 504 174 . 4.121 -0.798 -30.240 1.00 49.92 ? ? ? ? ? . 174 ALA A CB 504 ATOM 1375 C C . ALA A 504 174 . 5.117 1.554 -30.027 1.00 48.30 ? ? ? ? ? . 174 ALA A C 504 ATOM 1376 O O . ALA A 504 174 . 6.237 1.631 -29.523 1.00 48.29 ? ? ? ? ? . 174 ALA A O 504 ATOM 1377 N N . ALA A 504 175 . 4.745 2.272 -31.083 1.00 46.66 ? ? ? ? ? . 175 ALA A N 504 ATOM 1378 C CA . ALA A 504 175 . 5.583 3.322 -31.693 1.00 44.79 ? ? ? ? ? . 175 ALA A CA 504 ATOM 1379 C CB . ALA A 504 175 . 6.306 2.780 -32.920 1.00 44.76 ? ? ? ? ? . 175 ALA A CB 504 ATOM 1380 C C . ALA A 504 175 . 4.643 4.475 -32.065 1.00 43.50 ? ? ? ? ? . 175 ALA A C 504 ATOM 1381 O O . ALA A 504 175 . 4.908 5.257 -32.989 1.00 42.75 ? ? ? ? ? . 175 ALA A O 504 ATOM 1382 N N . THR A 504 176 . 3.563 4.571 -31.276 1.00 41.88 ? ? ? ? ? . 176 THR A N 504 ATOM 1383 C CA . THR A 504 176 . 2.367 5.340 -31.585 1.00 40.14 ? ? ? ? ? . 176 THR A CA 504 ATOM 1384 C CB . THR A 504 176 . 1.547 4.619 -32.675 1.00 40.05 ? ? ? ? ? . 176 THR A CB 504 ATOM 1385 O OG1 . THR A 504 176 . 1.813 5.284 -33.903 1.00 41.19 ? ? ? ? ? . 176 THR A OG1 504 ATOM 1386 C CG2 . THR A 504 176 . 0.011 4.618 -32.421 1.00 39.83 ? ? ? ? ? . 176 THR A CG2 504 ATOM 1387 C C . THR A 504 176 . 1.555 5.663 -30.322 1.00 39.00 ? ? ? ? ? . 176 THR A C 504 ATOM 1388 O O . THR A 504 176 . 0.368 5.325 -30.183 1.00 39.72 ? ? ? ? ? . 176 THR A O 504 ATOM 1389 N N . GLY A 504 177 . 2.198 6.343 -29.396 1.00 36.83 ? ? ? ? ? . 177 GLY A N 504 ATOM 1390 C CA . GLY A 504 177 . 1.512 6.776 -28.203 1.00 34.34 ? ? ? ? ? . 177 GLY A CA 504 ATOM 1391 C C . GLY A 504 177 . 2.602 7.249 -27.305 1.00 32.63 ? ? ? ? ? . 177 GLY A C 504 ATOM 1392 O O . GLY A 504 177 . 3.625 7.755 -27.776 1.00 32.22 ? ? ? ? ? . 177 GLY A O 504 ATOM 1393 N N . TRP A 504 178 . 2.410 7.049 -26.017 1.00 31.27 ? ? ? ? ? . 178 TRP A N 504 ATOM 1394 C CA . TRP A 504 178 . 3.385 7.506 -25.075 1.00 30.40 ? ? ? ? ? . 178 TRP A CA 504 ATOM 1395 C CB . TRP A 504 178 . 2.972 7.082 -23.695 1.00 29.39 ? ? ? ? ? . 178 TRP A CB 504 ATOM 1396 C CG . TRP A 504 178 . 1.759 7.811 -23.259 1.00 26.87 ? ? ? ? ? . 178 TRP A CG 504 ATOM 1397 C CD1 . TRP A 504 178 . 0.469 7.338 -23.205 1.00 24.19 ? ? ? ? ? . 178 TRP A CD1 504 ATOM 1398 N NE1 . TRP A 504 178 . -0.373 8.317 -22.765 1.00 23.80 ? ? ? ? ? . 178 TRP A NE1 504 ATOM 1399 C CE2 . TRP A 504 178 . 0.353 9.463 -22.554 1.00 24.14 ? ? ? ? ? . 178 TRP A CE2 504 ATOM 1400 C CD2 . TRP A 504 178 . 1.700 9.178 -22.862 1.00 26.11 ? ? ? ? ? . 178 TRP A CD2 504 ATOM 1401 C CE3 . TRP A 504 178 . 2.663 10.197 -22.728 1.00 25.51 ? ? ? ? ? . 178 TRP A CE3 504 ATOM 1402 C CZ3 . TRP A 504 178 . 2.247 11.453 -22.291 1.00 24.74 ? ? ? ? ? . 178 TRP A CZ3 504 ATOM 1403 C CH2 . TRP A 504 178 . 0.895 11.700 -21.983 1.00 22.18 ? ? ? ? ? . 178 TRP A CH2 504 ATOM 1404 C CZ2 . TRP A 504 178 . -0.058 10.722 -22.104 1.00 23.86 ? ? ? ? ? . 178 TRP A CZ2 504 ATOM 1405 C C . TRP A 504 178 . 4.793 7.045 -25.431 1.00 31.36 ? ? ? ? ? . 178 TRP A C 504 ATOM 1406 O O . TRP A 504 178 . 5.032 5.862 -25.604 1.00 31.08 ? ? ? ? ? . 178 TRP A O 504 ATOM 1407 N N . GLN A 504 179 . 5.696 8.008 -25.603 1.00 32.68 ? ? ? ? ? . 179 GLN A N 504 ATOM 1408 C CA . GLN A 504 179 . 7.115 7.752 -25.829 1.00 34.46 ? ? ? ? ? . 179 GLN A CA 504 ATOM 1409 C CB . GLN A 504 179 . 7.615 8.339 -27.151 1.00 34.03 ? ? ? ? ? . 179 GLN A CB 504 ATOM 1410 C CG . GLN A 504 179 . 6.877 7.877 -28.413 1.00 34.29 ? ? ? ? ? . 179 GLN A CG 504 ATOM 1411 C CD . GLN A 504 179 . 7.026 6.391 -28.692 1.00 34.53 ? ? ? ? ? . 179 GLN A CD 504 ATOM 1412 O OE1 . GLN A 504 179 . 8.138 5.882 -28.822 1.00 33.81 ? ? ? ? ? . 179 GLN A OE1 504 ATOM 1413 N NE2 . GLN A 504 179 . 5.899 5.686 -28.785 1.00 35.36 ? ? ? ? ? . 179 GLN A NE2 504 ATOM 1414 C C . GLN A 504 179 . 7.883 8.382 -24.684 1.00 36.31 ? ? ? ? ? . 179 GLN A C 504 ATOM 1415 O O . GLN A 504 179 . 7.327 9.204 -23.930 1.00 36.83 ? ? ? ? ? . 179 GLN A O 504 ATOM 1416 N N . LYS A 504 180 . 9.147 7.972 -24.553 1.00 37.97 ? ? ? ? ? . 180 LYS A N 504 ATOM 1417 C CA . LYS A 504 180 . 10.034 8.412 -23.491 1.00 39.69 ? ? ? ? ? . 180 LYS A CA 504 ATOM 1418 C CB . LYS A 504 180 . 9.874 7.501 -22.266 1.00 39.75 ? ? ? ? ? . 180 LYS A CB 504 ATOM 1419 C CG . LYS A 504 180 . 10.489 8.048 -20.977 1.00 40.67 ? ? ? ? ? . 180 LYS A CG 504 ATOM 1420 C CD . LYS A 504 180 . 9.787 7.539 -19.724 1.00 42.08 ? ? ? ? ? . 180 LYS A CD 504 ATOM 1421 C CE . LYS A 504 180 . 10.707 7.584 -18.496 1.00 45.21 ? ? ? ? ? . 180 LYS A CE 504 ATOM 1422 N NZ . LYS A 504 180 . 11.673 8.763 -18.511 1.00 45.86 ? ? ? ? ? . 180 LYS A NZ 504 ATOM 1423 C C . LYS A 504 180 . 11.491 8.425 -24.003 1.00 41.23 ? ? ? ? ? . 180 LYS A C 504 ATOM 1424 O O . LYS A 504 180 . 12.136 7.388 -24.072 1.00 41.18 ? ? ? ? ? . 180 LYS A O 504 ATOM 1425 N N . ASN A 504 181 . 11.966 9.605 -24.416 1.00 43.04 ? ? ? ? ? . 181 ASN A N 504 ATOM 1426 C CA . ASN A 504 181 . 13.388 9.859 -24.663 1.00 44.66 ? ? ? ? ? . 181 ASN A CA 504 ATOM 1427 C CB . ASN A 504 181 . 13.632 10.711 -25.932 1.00 45.20 ? ? ? ? ? . 181 ASN A CB 504 ATOM 1428 C CG . ASN A 504 181 . 14.239 9.893 -27.135 1.00 47.39 ? ? ? ? ? . 181 ASN A CG 504 ATOM 1429 O OD1 . ASN A 504 181 . 14.094 8.659 -27.235 1.00 47.97 ? ? ? ? ? . 181 ASN A OD1 504 ATOM 1430 N ND2 . ASN A 504 181 . 14.902 10.613 -28.059 1.00 48.64 ? ? ? ? ? . 181 ASN A ND2 504 ATOM 1431 C C . ASN A 504 181 . 13.975 10.556 -23.437 1.00 45.14 ? ? ? ? ? . 181 ASN A C 504 ATOM 1432 O O . ASN A 504 181 . 14.437 11.726 -23.531 1.00 45.24 ? ? ? ? ? . 181 ASN A O 504 ATOM 1433 N N . GLY A 504 182 . 13.874 9.851 -22.293 1.00 45.16 ? ? ? ? ? . 182 GLY A N 504 ATOM 1434 C CA . GLY A 504 182 . 14.691 10.082 -21.081 1.00 44.96 ? ? ? ? ? . 182 GLY A CA 504 ATOM 1435 C C . GLY A 504 182 . 14.426 11.360 -20.316 1.00 44.85 ? ? ? ? ? . 182 GLY A C 504 ATOM 1436 O O . GLY A 504 182 . 14.098 11.317 -19.112 1.00 45.45 ? ? ? ? ? . 182 GLY A O 504 ATOM 1437 N N . THR A 504 183 . 14.591 12.481 -21.030 1.00 44.03 ? ? ? ? ? . 183 THR A N 504 ATOM 1438 C CA . THR A 504 183 . 14.294 13.856 -20.594 1.00 43.22 ? ? ? ? ? . 183 THR A CA 504 ATOM 1439 C CB . THR A 504 183 . 14.728 14.852 -21.696 1.00 43.99 ? ? ? ? ? . 183 THR A CB 504 ATOM 1440 O OG1 . THR A 504 183 . 15.417 14.145 -22.750 1.00 46.10 ? ? ? ? ? . 183 THR A OG1 504 ATOM 1441 C CG2 . THR A 504 183 . 15.606 16.000 -21.115 1.00 44.03 ? ? ? ? ? . 183 THR A CG2 504 ATOM 1442 C C . THR A 504 183 . 12.810 14.175 -20.284 1.00 41.97 ? ? ? ? ? . 183 THR A C 504 ATOM 1443 O O . THR A 504 183 . 12.520 15.139 -19.566 1.00 42.03 ? ? ? ? ? . 183 THR A O 504 ATOM 1444 N N . GLY A 504 184 . 11.877 13.404 -20.837 1.00 40.26 ? ? ? ? ? . 184 GLY A N 504 ATOM 1445 C CA . GLY A 504 184 . 10.451 13.596 -20.541 1.00 38.54 ? ? ? ? ? . 184 GLY A CA 504 ATOM 1446 C C . GLY A 504 184 . 9.561 12.804 -21.481 1.00 37.56 ? ? ? ? ? . 184 GLY A C 504 ATOM 1447 O O . GLY A 504 184 . 10.062 12.046 -22.334 1.00 37.85 ? ? ? ? ? . 184 GLY A O 504 ATOM 1448 N N . TYR A 504 185 . 8.246 12.962 -21.337 1.00 36.04 ? ? ? ? ? . 185 TYR A N 504 ATOM 1449 C CA . TYR A 504 185 . 7.305 12.190 -22.162 1.00 34.63 ? ? ? ? ? . 185 TYR A CA 504 ATOM 1450 C CB . TYR A 504 185 . 6.063 11.762 -21.400 1.00 34.06 ? ? ? ? ? . 185 TYR A CB 504 ATOM 1451 C CG . TYR A 504 185 . 6.279 10.745 -20.340 1.00 33.36 ? ? ? ? ? . 185 TYR A CG 504 ATOM 1452 C CD1 . TYR A 504 185 . 6.306 9.387 -20.649 1.00 33.88 ? ? ? ? ? . 185 TYR A CD1 504 ATOM 1453 C CE1 . TYR A 504 185 . 6.480 8.421 -19.652 1.00 33.20 ? ? ? ? ? . 185 TYR A CE1 504 ATOM 1454 C CZ . TYR A 504 185 . 6.642 8.825 -18.340 1.00 34.44 ? ? ? ? ? . 185 TYR A CZ 504 ATOM 1455 O OH . TYR A 504 185 . 6.817 7.891 -17.353 1.00 34.37 ? ? ? ? ? . 185 TYR A OH 504 ATOM 1456 C CE2 . TYR A 504 185 . 6.621 10.176 -18.007 1.00 35.01 ? ? ? ? ? . 185 TYR A CE2 504 ATOM 1457 C CD2 . TYR A 504 185 . 6.429 11.127 -19.012 1.00 34.25 ? ? ? ? ? . 185 TYR A CD2 504 ATOM 1458 C C . TYR A 504 185 . 6.847 12.999 -23.332 1.00 34.01 ? ? ? ? ? . 185 TYR A C 504 ATOM 1459 O O . TYR A 504 185 . 6.570 14.173 -23.192 1.00 33.58 ? ? ? ? ? . 185 TYR A O 504 ATOM 1460 N N . TRP A 504 186 . 6.771 12.346 -24.487 1.00 34.01 ? ? ? ? ? . 186 TRP A N 504 ATOM 1461 C CA . TRP A 504 186 . 6.091 12.900 -25.657 1.00 33.80 ? ? ? ? ? . 186 TRP A CA 504 ATOM 1462 C CB . TRP A 504 186 . 7.103 13.477 -26.670 1.00 33.73 ? ? ? ? ? . 186 TRP A CB 504 ATOM 1463 C CG . TRP A 504 186 . 7.618 12.547 -27.736 1.00 36.07 ? ? ? ? ? . 186 TRP A CG 504 ATOM 1464 C CD1 . TRP A 504 186 . 7.046 12.295 -28.968 1.00 37.10 ? ? ? ? ? . 186 TRP A CD1 504 ATOM 1465 N NE1 . TRP A 504 186 . 7.821 11.418 -29.684 1.00 37.58 ? ? ? ? ? . 186 TRP A NE1 504 ATOM 1466 C CE2 . TRP A 504 186 . 8.924 11.098 -28.938 1.00 38.80 ? ? ? ? ? . 186 TRP A CE2 504 ATOM 1467 C CD2 . TRP A 504 186 . 8.834 11.799 -27.706 1.00 38.15 ? ? ? ? ? . 186 TRP A CD2 504 ATOM 1468 C CE3 . TRP A 504 186 . 9.849 11.637 -26.755 1.00 39.27 ? ? ? ? ? . 186 TRP A CE3 504 ATOM 1469 C CZ3 . TRP A 504 186 . 10.897 10.803 -27.051 1.00 40.70 ? ? ? ? ? . 186 TRP A CZ3 504 ATOM 1470 C CH2 . TRP A 504 186 . 10.964 10.112 -28.284 1.00 41.69 ? ? ? ? ? . 186 TRP A CH2 504 ATOM 1471 C CZ2 . TRP A 504 186 . 9.987 10.251 -29.239 1.00 40.54 ? ? ? ? ? . 186 TRP A CZ2 504 ATOM 1472 C C . TRP A 504 186 . 5.098 11.859 -26.223 1.00 32.85 ? ? ? ? ? . 186 TRP A C 504 ATOM 1473 O O . TRP A 504 186 . 5.092 10.730 -25.770 1.00 32.56 ? ? ? ? ? . 186 TRP A O 504 ATOM 1474 N N . TYR A 504 187 . 4.247 12.238 -27.175 1.00 32.54 ? ? ? ? ? . 187 TYR A N 504 ATOM 1475 C CA . TYR A 504 187 . 3.131 11.372 -27.574 1.00 32.70 ? ? ? ? ? . 187 TYR A CA 504 ATOM 1476 C CB . TYR A 504 187 . 1.906 11.805 -26.818 1.00 32.13 ? ? ? ? ? . 187 TYR A CB 504 ATOM 1477 C CG . TYR A 504 187 . 0.690 10.973 -27.059 1.00 32.39 ? ? ? ? ? . 187 TYR A CG 504 ATOM 1478 C CD1 . TYR A 504 187 . 0.450 9.834 -26.285 1.00 32.14 ? ? ? ? ? . 187 TYR A CD1 504 ATOM 1479 C CE1 . TYR A 504 187 . -0.681 9.071 -26.468 1.00 30.67 ? ? ? ? ? . 187 TYR A CE1 504 ATOM 1480 C CZ . TYR A 504 187 . -1.594 9.444 -27.422 1.00 30.38 ? ? ? ? ? . 187 TYR A CZ 504 ATOM 1481 O OH . TYR A 504 187 . -2.712 8.672 -27.573 1.00 30.08 ? ? ? ? ? . 187 TYR A OH 504 ATOM 1482 C CE2 . TYR A 504 187 . -1.384 10.564 -28.209 1.00 30.28 ? ? ? ? ? . 187 TYR A CE2 504 ATOM 1483 C CD2 . TYR A 504 187 . -0.251 11.333 -28.016 1.00 30.77 ? ? ? ? ? . 187 TYR A CD2 504 ATOM 1484 C C . TYR A 504 187 . 2.816 11.418 -29.062 1.00 32.93 ? ? ? ? ? . 187 TYR A C 504 ATOM 1485 O O . TYR A 504 187 . 2.487 12.470 -29.565 1.00 33.72 ? ? ? ? ? . 187 TYR A O 504 ATOM 1486 N N . VAL A 504 188 . 2.870 10.279 -29.753 1.00 33.00 ? ? ? ? ? . 188 VAL A N 504 ATOM 1487 C CA . VAL A 504 188 . 2.744 10.240 -31.218 1.00 33.02 ? ? ? ? ? . 188 VAL A CA 504 ATOM 1488 C CB . VAL A 504 188 . 3.792 9.289 -31.854 1.00 32.74 ? ? ? ? ? . 188 VAL A CB 504 ATOM 1489 C CG1 . VAL A 504 188 . 3.665 9.277 -33.332 1.00 32.49 ? ? ? ? ? . 188 VAL A CG1 504 ATOM 1490 C CG2 . VAL A 504 188 . 5.224 9.683 -31.456 1.00 32.24 ? ? ? ? ? . 188 VAL A CG2 504 ATOM 1491 C C . VAL A 504 188 . 1.336 9.809 -31.664 1.00 33.73 ? ? ? ? ? . 188 VAL A C 504 ATOM 1492 O O . VAL A 504 188 . 0.773 8.837 -31.148 1.00 34.17 ? ? ? ? ? . 188 VAL A O 504 ATOM 1493 N N . HIS A 504 189 . 0.768 10.545 -32.622 1.00 34.19 ? ? ? ? ? . 189 HIS A N 504 ATOM 1494 C CA . HIS A 504 189 . -0.505 10.184 -33.234 1.00 34.40 ? ? ? ? ? . 189 HIS A CA 504 ATOM 1495 C CB . HIS A 504 189 . -1.225 11.440 -33.686 1.00 34.04 ? ? ? ? ? . 189 HIS A CB 504 ATOM 1496 C CG . HIS A 504 189 . -1.541 12.403 -32.585 1.00 33.55 ? ? ? ? ? . 189 HIS A CG 504 ATOM 1497 N ND1 . HIS A 504 189 . -2.635 12.251 -31.756 1.00 31.50 ? ? ? ? ? . 189 HIS A ND1 504 ATOM 1498 C CE1 . HIS A 504 189 . -2.683 13.266 -30.910 1.00 31.71 ? ? ? ? ? . 189 HIS A CE1 504 ATOM 1499 N NE2 . HIS A 504 189 . -1.677 14.081 -31.174 1.00 31.98 ? ? ? ? ? . 189 HIS A NE2 504 ATOM 1500 C CD2 . HIS A 504 189 . -0.946 13.565 -32.218 1.00 32.36 ? ? ? ? ? . 189 HIS A CD2 504 ATOM 1501 C C . HIS A 504 189 . -0.246 9.285 -34.451 1.00 35.10 ? ? ? ? ? . 189 HIS A C 504 ATOM 1502 O O . HIS A 504 189 . 0.901 9.178 -34.907 1.00 35.43 ? ? ? ? ? . 189 HIS A O 504 ATOM 1503 N N . SER A 504 190 . -1.296 8.648 -34.979 1.00 35.40 ? ? ? ? ? . 190 SER A N 504 ATOM 1504 C CA . SER A 504 190 . -1.174 7.808 -36.187 1.00 35.70 ? ? ? ? ? . 190 SER A CA 504 ATOM 1505 C CB . SER A 504 190 . -2.457 7.007 -36.472 1.00 35.91 ? ? ? ? ? . 190 SER A CB 504 ATOM 1506 O OG . SER A 504 190 . -3.604 7.633 -35.926 1.00 37.09 ? ? ? ? ? . 190 SER A OG 504 ATOM 1507 C C . SER A 504 190 . -0.748 8.649 -37.385 1.00 35.87 ? ? ? ? ? . 190 SER A C 504 ATOM 1508 O O . SER A 504 190 . -0.032 8.151 -38.249 1.00 35.50 ? ? ? ? ? . 190 SER A O 504 ATOM 1509 N N . ASP A 504 191 . -1.263 9.890 -37.444 1.00 36.45 ? ? ? ? ? . 191 ASP A N 504 ATOM 1510 C CA . ASP A 504 191 . -0.510 11.079 -37.905 1.00 36.60 ? ? ? ? ? . 191 ASP A CA 504 ATOM 1511 C CB . ASP A 504 191 . 0.426 10.818 -39.066 1.00 36.28 ? ? ? ? ? . 191 ASP A CB 504 ATOM 1512 C CG . ASP A 504 191 . 1.853 10.764 -38.604 1.00 36.29 ? ? ? ? ? . 191 ASP A CG 504 ATOM 1513 O OD1 . ASP A 504 191 . 2.110 10.275 -37.480 1.00 33.09 ? ? ? ? ? . 191 ASP A OD1 504 ATOM 1514 O OD2 . ASP A 504 191 . 2.725 11.256 -39.337 1.00 38.35 ? ? ? ? ? . 191 ASP A OD2 504 ATOM 1515 C C . ASP A 504 191 . -1.061 12.517 -37.893 1.00 37.36 ? ? ? ? ? . 191 ASP A C 504 ATOM 1516 O O . ASP A 504 191 . -1.497 13.098 -38.894 1.00 37.86 ? ? ? ? ? . 191 ASP A O 504 ATOM 1517 N N . GLY A 504 192 . -1.009 13.082 -36.703 1.00 38.07 ? ? ? ? ? . 192 GLY A N 504 ATOM 1518 C CA . GLY A 504 192 . -0.849 14.525 -36.537 1.00 38.87 ? ? ? ? ? . 192 GLY A CA 504 ATOM 1519 C C . GLY A 504 192 . 0.455 14.659 -35.746 1.00 38.73 ? ? ? ? ? . 192 GLY A C 504 ATOM 1520 O O . GLY A 504 192 . 0.605 15.554 -34.924 1.00 38.84 ? ? ? ? ? . 192 GLY A O 504 ATOM 1521 N N . SER A 504 193 . 1.383 13.745 -36.036 1.00 38.58 ? ? ? ? ? . 193 SER A N 504 ATOM 1522 C CA . SER A 504 193 . 2.518 13.395 -35.180 1.00 38.23 ? ? ? ? ? . 193 SER A CA 504 ATOM 1523 C CB . SER A 504 193 . 3.726 13.030 -36.036 1.00 37.92 ? ? ? ? ? . 193 SER A CB 504 ATOM 1524 O OG . SER A 504 193 . 3.718 11.640 -36.285 1.00 38.12 ? ? ? ? ? . 193 SER A OG 504 ATOM 1525 C C . SER A 504 193 . 2.909 14.354 -34.062 1.00 38.25 ? ? ? ? ? . 193 SER A C 504 ATOM 1526 O O . SER A 504 193 . 3.421 15.443 -34.312 1.00 39.17 ? ? ? ? ? . 193 SER A O 504 ATOM 1527 N N . TYR A 504 194 . 2.662 13.925 -32.829 1.00 38.05 ? ? ? ? ? . 194 TYR A N 504 ATOM 1528 C CA . TYR A 504 194 . 3.126 14.590 -31.583 1.00 37.83 ? ? ? ? ? . 194 TYR A CA 504 ATOM 1529 C CB . TYR A 504 194 . 4.579 14.196 -31.207 1.00 38.27 ? ? ? ? ? . 194 TYR A CB 504 ATOM 1530 C CG . TYR A 504 194 . 5.698 15.156 -31.610 1.00 39.99 ? ? ? ? ? . 194 TYR A CG 504 ATOM 1531 C CD1 . TYR A 504 194 . 6.155 16.158 -30.722 1.00 40.17 ? ? ? ? ? . 194 TYR A CD1 504 ATOM 1532 C CE1 . TYR A 504 194 . 7.184 17.026 -31.079 1.00 40.60 ? ? ? ? ? . 194 TYR A CE1 504 ATOM 1533 C CZ . TYR A 504 194 . 7.789 16.888 -32.318 1.00 42.20 ? ? ? ? ? . 194 TYR A CZ 504 ATOM 1534 O OH . TYR A 504 194 . 8.808 17.735 -32.691 1.00 43.05 ? ? ? ? ? . 194 TYR A OH 504 ATOM 1535 C CE2 . TYR A 504 194 . 7.374 15.901 -33.206 1.00 43.18 ? ? ? ? ? . 194 TYR A CE2 504 ATOM 1536 C CD2 . TYR A 504 194 . 6.334 15.033 -32.849 1.00 40.87 ? ? ? ? ? . 194 TYR A CD2 504 ATOM 1537 C C . TYR A 504 194 . 2.872 16.078 -31.398 1.00 37.01 ? ? ? ? ? . 194 TYR A C 504 ATOM 1538 O O . TYR A 504 194 . 3.365 16.904 -32.173 1.00 36.96 ? ? ? ? ? . 194 TYR A O 504 ATOM 1539 N N . PRO A 504 195 . 2.118 16.424 -30.342 1.00 36.32 ? ? ? ? ? . 195 PRO A N 504 ATOM 1540 C CA . PRO A 504 195 . 1.803 17.823 -30.083 1.00 36.59 ? ? ? ? ? . 195 PRO A CA 504 ATOM 1541 C CB . PRO A 504 195 . 0.614 17.748 -29.126 1.00 36.12 ? ? ? ? ? . 195 PRO A CB 504 ATOM 1542 C CG . PRO A 504 195 . 0.768 16.430 -28.464 1.00 36.49 ? ? ? ? ? . 195 PRO A CG 504 ATOM 1543 C CD . PRO A 504 195 . 1.409 15.512 -29.432 1.00 35.68 ? ? ? ? ? . 195 PRO A CD 504 ATOM 1544 C C . PRO A 504 195 . 2.969 18.596 -29.463 1.00 36.91 ? ? ? ? ? . 195 PRO A C 504 ATOM 1545 O O . PRO A 504 195 . 3.854 17.997 -28.857 1.00 36.79 ? ? ? ? ? . 195 PRO A O 504 ATOM 1546 N N . LYS A 504 196 . 2.970 19.912 -29.655 1.00 37.34 ? ? ? ? ? . 196 LYS A N 504 ATOM 1547 C CA . LYS A 504 196 . 3.905 20.800 -28.979 1.00 38.24 ? ? ? ? ? . 196 LYS A CA 504 ATOM 1548 C CB . LYS A 504 196 . 5.241 20.926 -29.740 1.00 38.83 ? ? ? ? ? . 196 LYS A CB 504 ATOM 1549 C CG . LYS A 504 196 . 5.105 21.331 -31.196 1.00 41.13 ? ? ? ? ? . 196 LYS A CG 504 ATOM 1550 C CD . LYS A 504 196 . 6.438 21.768 -31.761 1.00 45.50 ? ? ? ? ? . 196 LYS A CD 504 ATOM 1551 C CE . LYS A 504 196 . 6.275 22.912 -32.782 1.00 45.52 ? ? ? ? ? . 196 LYS A CE 504 ATOM 1552 N NZ . LYS A 504 196 . 7.600 23.567 -33.100 1.00 47.14 ? ? ? ? ? . 196 LYS A NZ 504 ATOM 1553 C C . LYS A 504 196 . 3.261 22.157 -28.714 1.00 38.06 ? ? ? ? ? . 196 LYS A C 504 ATOM 1554 O O . LYS A 504 196 . 2.422 22.600 -29.481 1.00 38.53 ? ? ? ? ? . 196 LYS A O 504 ATOM 1555 N N . ASP A 504 197 . 3.634 22.789 -27.599 1.00 37.83 ? ? ? ? ? . 197 ASP A N 504 ATOM 1556 C CA . ASP A 504 197 . 2.994 24.023 -27.130 1.00 37.32 ? ? ? ? ? . 197 ASP A CA 504 ATOM 1557 C CB . ASP A 504 197 . 3.620 25.260 -27.792 1.00 37.07 ? ? ? ? ? . 197 ASP A CB 504 ATOM 1558 C CG . ASP A 504 197 . 3.514 26.495 -26.920 1.00 38.35 ? ? ? ? ? . 197 ASP A CG 504 ATOM 1559 O OD1 . ASP A 504 197 . 3.370 26.336 -25.685 1.00 38.55 ? ? ? ? ? . 197 ASP A OD1 504 ATOM 1560 O OD2 . ASP A 504 197 . 3.579 27.628 -27.458 1.00 39.54 ? ? ? ? ? . 197 ASP A OD2 504 ATOM 1561 C C . ASP A 504 197 . 1.469 24.016 -27.288 1.00 36.95 ? ? ? ? ? . 197 ASP A C 504 ATOM 1562 O O . ASP A 504 197 . 0.883 24.961 -27.801 1.00 37.79 ? ? ? ? ? . 197 ASP A O 504 ATOM 1563 N N . LYS A 504 198 . 0.821 22.954 -26.842 1.00 36.26 ? ? ? ? ? . 198 LYS A N 504 ATOM 1564 C CA . LYS A 504 198 . -0.638 22.944 -26.790 1.00 35.64 ? ? ? ? ? . 198 LYS A CA 504 ATOM 1565 C CB . LYS A 504 198 . -1.236 22.622 -28.173 1.00 35.94 ? ? ? ? ? . 198 LYS A CB 504 ATOM 1566 C CG . LYS A 504 198 . -0.657 21.378 -28.870 1.00 36.19 ? ? ? ? ? . 198 LYS A CG 504 ATOM 1567 C CD . LYS A 504 198 . -1.509 20.948 -30.080 1.00 37.11 ? ? ? ? ? . 198 LYS A CD 504 ATOM 1568 C CE . LYS A 504 198 . -2.967 20.597 -29.675 1.00 38.02 ? ? ? ? ? . 198 LYS A CE 504 ATOM 1569 N NZ . LYS A 504 198 . -3.652 19.622 -30.635 1.00 39.28 ? ? ? ? ? . 198 LYS A NZ 504 ATOM 1570 C C . LYS A 504 198 . -1.183 21.983 -25.730 1.00 34.82 ? ? ? ? ? . 198 LYS A C 504 ATOM 1571 O O . LYS A 504 198 . -0.432 21.240 -25.096 1.00 34.72 ? ? ? ? ? . 198 LYS A O 504 ATOM 1572 N N . PHE A 504 199 . -2.496 22.018 -25.547 1.00 33.97 ? ? ? ? ? . 199 PHE A N 504 ATOM 1573 C CA . PHE A 504 199 . -3.192 21.039 -24.738 1.00 33.26 ? ? ? ? ? . 199 PHE A CA 504 ATOM 1574 C CB . PHE A 504 199 . -4.500 21.618 -24.238 1.00 33.04 ? ? ? ? ? . 199 PHE A CB 504 ATOM 1575 C CG . PHE A 504 199 . -4.360 22.419 -22.990 1.00 31.74 ? ? ? ? ? . 199 PHE A CG 504 ATOM 1576 C CD1 . PHE A 504 199 . -4.431 21.804 -21.747 1.00 29.33 ? ? ? ? ? . 199 PHE A CD1 504 ATOM 1577 C CE1 . PHE A 504 199 . -4.294 22.546 -20.596 1.00 28.66 ? ? ? ? ? . 199 PHE A CE1 504 ATOM 1578 C CZ . PHE A 504 199 . -4.086 23.923 -20.673 1.00 26.05 ? ? ? ? ? . 199 PHE A CZ 504 ATOM 1579 C CE2 . PHE A 504 199 . -4.004 24.540 -21.903 1.00 26.55 ? ? ? ? ? . 199 PHE A CE2 504 ATOM 1580 C CD2 . PHE A 504 199 . -4.140 23.792 -23.058 1.00 28.23 ? ? ? ? ? . 199 PHE A CD2 504 ATOM 1581 C C . PHE A 504 199 . -3.527 19.824 -25.560 1.00 33.37 ? ? ? ? ? . 199 PHE A C 504 ATOM 1582 O O . PHE A 504 199 . -3.736 19.948 -26.768 1.00 33.45 ? ? ? ? ? . 199 PHE A O 504 ATOM 1583 N N . GLU A 504 200 . -3.560 18.651 -24.921 1.00 33.02 ? ? ? ? ? . 200 GLU A N 504 ATOM 1584 C CA . GLU A 504 200 . -4.225 17.524 -25.512 1.00 33.00 ? ? ? ? ? . 200 GLU A CA 504 ATOM 1585 C CB . GLU A 504 200 . -3.350 16.801 -26.509 1.00 33.42 ? ? ? ? ? . 200 GLU A CB 504 ATOM 1586 C CG . GLU A 504 200 . -4.109 16.676 -27.837 1.00 35.85 ? ? ? ? ? . 200 GLU A CG 504 ATOM 1587 C CD . GLU A 504 200 . -3.284 16.093 -28.937 1.00 40.16 ? ? ? ? ? . 200 GLU A CD 504 ATOM 1588 O OE1 . GLU A 504 200 . -2.245 15.460 -28.627 1.00 41.94 ? ? ? ? ? . 200 GLU A OE1 504 ATOM 1589 O OE2 . GLU A 504 200 . -3.684 16.257 -30.119 1.00 41.57 ? ? ? ? ? . 200 GLU A OE2 504 ATOM 1590 C C . GLU A 504 200 . -4.908 16.569 -24.562 1.00 32.82 ? ? ? ? ? . 200 GLU A C 504 ATOM 1591 O O . GLU A 504 200 . -4.366 16.222 -23.525 1.00 33.77 ? ? ? ? ? . 200 GLU A O 504 ATOM 1592 N N . LYS A 504 201 . -6.127 16.181 -24.933 1.00 32.08 ? ? ? ? ? . 201 LYS A N 504 ATOM 1593 C CA . LYS A 504 201 . -6.898 15.132 -24.286 1.00 31.29 ? ? ? ? ? . 201 LYS A CA 504 ATOM 1594 C CB . LYS A 504 201 . -8.398 15.320 -24.586 1.00 31.02 ? ? ? ? ? . 201 LYS A CB 504 ATOM 1595 C CG . LYS A 504 201 . -9.340 14.886 -23.471 1.00 30.48 ? ? ? ? ? . 201 LYS A CG 504 ATOM 1596 C CD . LYS A 504 201 . -10.811 14.812 -23.906 1.00 30.31 ? ? ? ? ? . 201 LYS A CD 504 ATOM 1597 C CE . LYS A 504 201 . -11.712 14.984 -22.679 1.00 31.49 ? ? ? ? ? . 201 LYS A CE 504 ATOM 1598 N NZ . LYS A 504 201 . -12.999 14.259 -22.778 1.00 32.33 ? ? ? ? ? . 201 LYS A NZ 504 ATOM 1599 C C . LYS A 504 201 . -6.412 13.764 -24.803 1.00 31.63 ? ? ? ? ? . 201 LYS A C 504 ATOM 1600 O O . LYS A 504 201 . -6.318 13.521 -26.022 1.00 30.87 ? ? ? ? ? . 201 LYS A O 504 ATOM 1601 N N . ILE A 504 202 . -6.086 12.879 -23.863 1.00 32.20 ? ? ? ? ? . 202 ILE A N 504 ATOM 1602 C CA . ILE A 504 202 . -5.573 11.544 -24.159 1.00 32.68 ? ? ? ? ? . 202 ILE A CA 504 ATOM 1603 C CB . ILE A 504 202 . -4.034 11.469 -24.000 1.00 32.29 ? ? ? ? ? . 202 ILE A CB 504 ATOM 1604 C CG1 . ILE A 504 202 . -3.345 12.218 -25.155 1.00 31.97 ? ? ? ? ? . 202 ILE A CG1 504 ATOM 1605 C CD1 . ILE A 504 202 . -1.879 12.640 -24.906 1.00 30.14 ? ? ? ? ? . 202 ILE A CD1 504 ATOM 1606 C CG2 . ILE A 504 202 . -3.600 10.028 -23.973 1.00 32.12 ? ? ? ? ? . 202 ILE A CG2 504 ATOM 1607 C C . ILE A 504 202 . -6.256 10.569 -23.213 1.00 33.60 ? ? ? ? ? . 202 ILE A C 504 ATOM 1608 O O . ILE A 504 202 . -6.211 10.746 -21.995 1.00 33.82 ? ? ? ? ? . 202 ILE A O 504 ATOM 1609 N N . ASN A 504 203 . -6.913 9.555 -23.778 1.00 34.89 ? ? ? ? ? . 203 ASN A N 504 ATOM 1610 C CA . ASN A 504 203 . -7.716 8.592 -22.995 1.00 35.09 ? ? ? ? ? . 203 ASN A CA 504 ATOM 1611 C CB . ASN A 504 203 . -6.828 7.439 -22.465 1.00 35.53 ? ? ? ? ? . 203 ASN A CB 504 ATOM 1612 C CG . ASN A 504 203 . -5.847 6.909 -23.533 1.00 37.19 ? ? ? ? ? . 203 ASN A CG 504 ATOM 1613 O OD1 . ASN A 504 203 . -4.628 6.780 -23.283 1.00 37.69 ? ? ? ? ? . 203 ASN A OD1 504 ATOM 1614 N ND2 . ASN A 504 203 . -6.372 6.631 -24.737 1.00 36.90 ? ? ? ? ? . 203 ASN A ND2 504 ATOM 1615 C C . ASN A 504 203 . -8.467 9.311 -21.863 1.00 34.66 ? ? ? ? ? . 203 ASN A C 504 ATOM 1616 O O . ASN A 504 203 . -8.394 8.910 -20.705 1.00 34.82 ? ? ? ? ? . 203 ASN A O 504 ATOM 1617 N N . GLY A 504 204 . -9.141 10.411 -22.213 1.00 34.29 ? ? ? ? ? . 204 GLY A N 504 ATOM 1618 C CA . GLY A 504 204 . -10.065 11.112 -21.298 1.00 33.14 ? ? ? ? ? . 204 GLY A CA 504 ATOM 1619 C C . GLY A 504 204 . -9.499 12.191 -20.376 1.00 32.15 ? ? ? ? ? . 204 GLY A C 504 ATOM 1620 O O . GLY A 504 204 . -10.258 12.885 -19.688 1.00 32.16 ? ? ? ? ? . 204 GLY A O 504 ATOM 1621 N N . THR A 504 205 . -8.177 12.329 -20.369 1.00 30.58 ? ? ? ? ? . 205 THR A N 504 ATOM 1622 C CA . THR A 504 205 . -7.463 13.184 -19.443 1.00 28.95 ? ? ? ? ? . 205 THR A CA 504 ATOM 1623 C CB . THR A 504 205 . -6.366 12.347 -18.753 1.00 29.25 ? ? ? ? ? . 205 THR A CB 504 ATOM 1624 O OG1 . THR A 504 205 . -6.969 11.314 -17.957 1.00 29.32 ? ? ? ? ? . 205 THR A OG1 504 ATOM 1625 C CG2 . THR A 504 205 . -5.446 13.211 -17.894 1.00 28.28 ? ? ? ? ? . 205 THR A CG2 504 ATOM 1626 C C . THR A 504 205 . -6.787 14.273 -20.268 1.00 28.25 ? ? ? ? ? . 205 THR A C 504 ATOM 1627 O O . THR A 504 205 . -6.299 13.959 -21.355 1.00 28.30 ? ? ? ? ? . 205 THR A O 504 ATOM 1628 N N . TRP A 504 206 . -6.728 15.520 -19.768 1.00 26.53 ? ? ? ? ? . 206 TRP A N 504 ATOM 1629 C CA . TRP A 504 206 . -5.993 16.615 -20.447 1.00 24.63 ? ? ? ? ? . 206 TRP A CA 504 ATOM 1630 C CB . TRP A 504 206 . -6.691 17.958 -20.214 1.00 24.48 ? ? ? ? ? . 206 TRP A CB 504 ATOM 1631 C CG . TRP A 504 206 . -7.855 18.215 -21.076 1.00 20.79 ? ? ? ? ? . 206 TRP A CG 504 ATOM 1632 C CD1 . TRP A 504 206 . -9.152 18.022 -20.756 1.00 18.25 ? ? ? ? ? . 206 TRP A CD1 504 ATOM 1633 N NE1 . TRP A 504 206 . -9.949 18.365 -21.811 1.00 21.56 ? ? ? ? ? . 206 TRP A NE1 504 ATOM 1634 C CE2 . TRP A 504 206 . -9.159 18.784 -22.856 1.00 18.87 ? ? ? ? ? . 206 TRP A CE2 504 ATOM 1635 C CD2 . TRP A 504 206 . -7.827 18.698 -22.424 1.00 18.67 ? ? ? ? ? . 206 TRP A CD2 504 ATOM 1636 C CE3 . TRP A 504 206 . -6.794 19.054 -23.319 1.00 17.39 ? ? ? ? ? . 206 TRP A CE3 504 ATOM 1637 C CZ3 . TRP A 504 206 . -7.144 19.497 -24.593 1.00 15.53 ? ? ? ? ? . 206 TRP A CZ3 504 ATOM 1638 C CH2 . TRP A 504 206 . -8.487 19.568 -24.985 1.00 16.53 ? ? ? ? ? . 206 TRP A CH2 504 ATOM 1639 C CZ2 . TRP A 504 206 . -9.507 19.219 -24.138 1.00 16.26 ? ? ? ? ? . 206 TRP A CZ2 504 ATOM 1640 C C . TRP A 504 206 . -4.550 16.786 -19.992 1.00 24.37 ? ? ? ? ? . 206 TRP A C 504 ATOM 1641 O O . TRP A 504 206 . -4.300 16.834 -18.809 1.00 23.80 ? ? ? ? ? . 206 TRP A O 504 ATOM 1642 N N . TYR A 504 207 . -3.617 16.905 -20.937 1.00 24.91 ? ? ? ? ? . 207 TYR A N 504 ATOM 1643 C CA . TYR A 504 207 . -2.198 17.210 -20.655 1.00 25.85 ? ? ? ? ? . 207 TYR A CA 504 ATOM 1644 C CB . TYR A 504 207 . -1.273 16.041 -21.031 1.00 26.19 ? ? ? ? ? . 207 TYR A CB 504 ATOM 1645 C CG . TYR A 504 207 . -1.673 14.726 -20.440 1.00 27.60 ? ? ? ? ? . 207 TYR A CG 504 ATOM 1646 C CD1 . TYR A 504 207 . -0.954 14.159 -19.378 1.00 28.71 ? ? ? ? ? . 207 TYR A CD1 504 ATOM 1647 C CE1 . TYR A 504 207 . -1.327 12.940 -18.823 1.00 30.14 ? ? ? ? ? . 207 TYR A CE1 504 ATOM 1648 C CZ . TYR A 504 207 . -2.441 12.287 -19.334 1.00 30.54 ? ? ? ? ? . 207 TYR A CZ 504 ATOM 1649 O OH . TYR A 504 207 . -2.864 11.109 -18.809 1.00 32.18 ? ? ? ? ? . 207 TYR A OH 504 ATOM 1650 C CE2 . TYR A 504 207 . -3.169 12.824 -20.378 1.00 31.75 ? ? ? ? ? . 207 TYR A CE2 504 ATOM 1651 C CD2 . TYR A 504 207 . -2.782 14.043 -20.932 1.00 29.81 ? ? ? ? ? . 207 TYR A CD2 504 ATOM 1652 C C . TYR A 504 207 . -1.751 18.427 -21.450 1.00 26.27 ? ? ? ? ? . 207 TYR A C 504 ATOM 1653 O O . TYR A 504 207 . -2.494 18.938 -22.290 1.00 27.10 ? ? ? ? ? . 207 TYR A O 504 ATOM 1654 N N . TYR A 504 208 . -0.533 18.891 -21.191 1.00 26.24 ? ? ? ? ? . 208 TYR A N 504 ATOM 1655 C CA . TYR A 504 208 . 0.026 20.000 -21.923 1.00 26.17 ? ? ? ? ? . 208 TYR A CA 504 ATOM 1656 C CB . TYR A 504 208 . -0.094 21.306 -21.136 1.00 26.28 ? ? ? ? ? . 208 TYR A CB 504 ATOM 1657 C CG . TYR A 504 208 . 0.287 22.549 -21.930 1.00 26.59 ? ? ? ? ? . 208 TYR A CG 504 ATOM 1658 C CD1 . TYR A 504 208 . -0.697 23.394 -22.454 1.00 26.50 ? ? ? ? ? . 208 TYR A CD1 504 ATOM 1659 C CE1 . TYR A 504 208 . -0.355 24.518 -23.201 1.00 25.81 ? ? ? ? ? . 208 TYR A CE1 504 ATOM 1660 C CZ . TYR A 504 208 . 0.989 24.789 -23.421 1.00 25.78 ? ? ? ? ? . 208 TYR A CZ 504 ATOM 1661 O OH . TYR A 504 208 . 1.360 25.889 -24.148 1.00 26.55 ? ? ? ? ? . 208 TYR A OH 504 ATOM 1662 C CE2 . TYR A 504 208 . 1.978 23.971 -22.896 1.00 24.51 ? ? ? ? ? . 208 TYR A CE2 504 ATOM 1663 C CD2 . TYR A 504 208 . 1.635 22.869 -22.169 1.00 25.18 ? ? ? ? ? . 208 TYR A CD2 504 ATOM 1664 C C . TYR A 504 208 . 1.482 19.683 -22.206 1.00 27.23 ? ? ? ? ? . 208 TYR A C 504 ATOM 1665 O O . TYR A 504 208 . 2.232 19.192 -21.326 1.00 26.73 ? ? ? ? ? . 208 TYR A O 504 ATOM 1666 N N . PHE A 504 209 . 1.866 19.983 -23.450 1.00 28.04 ? ? ? ? ? . 209 PHE A N 504 ATOM 1667 C CA . PHE A 504 209 . 3.162 19.651 -24.013 1.00 28.28 ? ? ? ? ? . 209 PHE A CA 504 ATOM 1668 C CB . PHE A 504 209 . 2.950 18.805 -25.271 1.00 28.16 ? ? ? ? ? . 209 PHE A CB 504 ATOM 1669 C CG . PHE A 504 209 . 2.508 17.385 -24.964 1.00 28.35 ? ? ? ? ? . 209 PHE A CG 504 ATOM 1670 C CD1 . PHE A 504 209 . 3.458 16.391 -24.650 1.00 27.05 ? ? ? ? ? . 209 PHE A CD1 504 ATOM 1671 C CE1 . PHE A 504 209 . 3.063 15.079 -24.333 1.00 25.36 ? ? ? ? ? . 209 PHE A CE1 504 ATOM 1672 C CZ . PHE A 504 209 . 1.737 14.751 -24.329 1.00 24.59 ? ? ? ? ? . 209 PHE A CZ 504 ATOM 1673 C CE2 . PHE A 504 209 . 0.766 15.745 -24.625 1.00 27.30 ? ? ? ? ? . 209 PHE A CE2 504 ATOM 1674 C CD2 . PHE A 504 209 . 1.153 17.045 -24.934 1.00 27.52 ? ? ? ? ? . 209 PHE A CD2 504 ATOM 1675 C C . PHE A 504 209 . 3.856 20.940 -24.336 1.00 29.08 ? ? ? ? ? . 209 PHE A C 504 ATOM 1676 O O . PHE A 504 209 . 3.261 21.829 -24.959 1.00 29.98 ? ? ? ? ? . 209 PHE A O 504 ATOM 1677 N N . ASP A 504 210 . 5.106 21.069 -23.899 1.00 29.66 ? ? ? ? ? . 210 ASP A N 504 ATOM 1678 C CA . ASP A 504 210 . 5.851 22.315 -24.086 1.00 29.77 ? ? ? ? ? . 210 ASP A CA 504 ATOM 1679 C CB . ASP A 504 210 . 7.033 22.389 -23.119 1.00 29.38 ? ? ? ? ? . 210 ASP A CB 504 ATOM 1680 C CG . ASP A 504 210 . 8.125 21.393 -23.447 1.00 30.81 ? ? ? ? ? . 210 ASP A CG 504 ATOM 1681 O OD1 . ASP A 504 210 . 8.291 21.051 -24.641 1.00 31.31 ? ? ? ? ? . 210 ASP A OD1 504 ATOM 1682 O OD2 . ASP A 504 210 . 8.848 20.964 -22.514 1.00 28.96 ? ? ? ? ? . 210 ASP A OD2 504 ATOM 1683 C C . ASP A 504 210 . 6.276 22.518 -25.563 1.00 30.00 ? ? ? ? ? . 210 ASP A C 504 ATOM 1684 O O . ASP A 504 210 . 5.968 21.691 -26.423 1.00 29.51 ? ? ? ? ? . 210 ASP A O 504 ATOM 1685 N N . GLY A 504 211 . 6.967 23.622 -25.841 1.00 30.40 ? ? ? ? ? . 211 GLY A N 504 ATOM 1686 C CA . GLY A 504 211 . 7.358 23.982 -27.193 1.00 30.94 ? ? ? ? ? . 211 GLY A CA 504 ATOM 1687 C C . GLY A 504 211 . 8.137 22.887 -27.906 1.00 31.64 ? ? ? ? ? . 211 GLY A C 504 ATOM 1688 O O . GLY A 504 211 . 8.244 22.887 -29.132 1.00 32.28 ? ? ? ? ? . 211 GLY A O 504 ATOM 1689 N N . SER A 504 212 . 8.629 21.921 -27.137 1.00 32.11 ? ? ? ? ? . 212 SER A N 504 ATOM 1690 C CA . SER A 504 212 . 9.566 20.917 -27.624 1.00 32.22 ? ? ? ? ? . 212 SER A CA 504 ATOM 1691 C CB . SER A 504 212 . 10.872 21.026 -26.829 1.00 32.37 ? ? ? ? ? . 212 SER A CB 504 ATOM 1692 O OG . SER A 504 212 . 11.861 20.168 -27.358 1.00 33.25 ? ? ? ? ? . 212 SER A OG 504 ATOM 1693 C C . SER A 504 212 . 8.998 19.506 -27.516 1.00 32.12 ? ? ? ? ? . 212 SER A C 504 ATOM 1694 O O . SER A 504 212 . 9.725 18.535 -27.578 1.00 32.25 ? ? ? ? ? . 212 SER A O 504 ATOM 1695 N N . GLY A 504 213 . 7.693 19.387 -27.353 1.00 31.97 ? ? ? ? ? . 213 GLY A N 504 ATOM 1696 C CA . GLY A 504 213 . 7.084 18.079 -27.396 1.00 31.69 ? ? ? ? ? . 213 GLY A CA 504 ATOM 1697 C C . GLY A 504 213 . 6.896 17.443 -26.042 1.00 31.63 ? ? ? ? ? . 213 GLY A C 504 ATOM 1698 O O . GLY A 504 213 . 6.210 16.428 -25.933 1.00 32.08 ? ? ? ? ? . 213 GLY A O 504 ATOM 1699 N N . TYR A 504 214 . 7.463 18.040 -25.008 1.00 31.31 ? ? ? ? ? . 214 TYR A N 504 ATOM 1700 C CA . TYR A 504 214 . 7.552 17.342 -23.735 1.00 32.05 ? ? ? ? ? . 214 TYR A CA 504 ATOM 1701 C CB . TYR A 504 214 . 8.935 17.542 -23.084 1.00 32.47 ? ? ? ? ? . 214 TYR A CB 504 ATOM 1702 C CG . TYR A 504 214 . 9.978 16.720 -23.786 1.00 35.08 ? ? ? ? ? . 214 TYR A CG 504 ATOM 1703 C CD1 . TYR A 504 214 . 9.931 15.343 -23.720 1.00 37.75 ? ? ? ? ? . 214 TYR A CD1 504 ATOM 1704 C CE1 . TYR A 504 214 . 10.858 14.573 -24.377 1.00 41.66 ? ? ? ? ? . 214 TYR A CE1 504 ATOM 1705 C CZ . TYR A 504 214 . 11.849 15.174 -25.134 1.00 42.05 ? ? ? ? ? . 214 TYR A CZ 504 ATOM 1706 O OH . TYR A 504 214 . 12.751 14.352 -25.771 1.00 45.64 ? ? ? ? ? . 214 TYR A OH 504 ATOM 1707 C CE2 . TYR A 504 214 . 11.913 16.547 -25.243 1.00 39.69 ? ? ? ? ? . 214 TYR A CE2 504 ATOM 1708 C CD2 . TYR A 504 214 . 10.968 17.313 -24.575 1.00 37.82 ? ? ? ? ? . 214 TYR A CD2 504 ATOM 1709 C C . TYR A 504 214 . 6.436 17.658 -22.776 1.00 31.70 ? ? ? ? ? . 214 TYR A C 504 ATOM 1710 O O . TYR A 504 214 . 6.117 18.820 -22.566 1.00 32.26 ? ? ? ? ? . 214 TYR A O 504 ATOM 1711 N N . MET A 504 215 . 5.853 16.619 -22.192 1.00 31.09 ? ? ? ? ? . 215 MET A N 504 ATOM 1712 C CA . MET A 504 215 . 4.782 16.773 -21.209 1.00 30.67 ? ? ? ? ? . 215 MET A CA 504 ATOM 1713 C CB . MET A 504 215 . 4.265 15.398 -20.800 1.00 29.99 ? ? ? ? ? . 215 MET A CB 504 ATOM 1714 C CG . MET A 504 215 . 3.002 15.433 -19.983 1.00 29.23 ? ? ? ? ? . 215 MET A CG 504 ATOM 1715 S SD . MET A 504 215 . 2.620 13.866 -19.197 1.00 25.73 ? ? ? ? ? . 215 MET A SD 504 ATOM 1716 C CE . MET A 504 215 . 3.895 13.771 -17.968 1.00 27.02 ? ? ? ? ? . 215 MET A CE 504 ATOM 1717 C C . MET A 504 215 . 5.221 17.591 -19.966 1.00 30.83 ? ? ? ? ? . 215 MET A C 504 ATOM 1718 O O . MET A 504 215 . 6.335 17.421 -19.456 1.00 31.36 ? ? ? ? ? . 215 MET A O 504 ATOM 1719 N N . LEU A 504 216 . 4.365 18.504 -19.509 1.00 30.31 ? ? ? ? ? . 216 LEU A N 504 ATOM 1720 C CA . LEU A 504 216 . 4.613 19.192 -18.253 1.00 29.79 ? ? ? ? ? . 216 LEU A CA 504 ATOM 1721 C CB . LEU A 504 216 . 3.862 20.525 -18.168 1.00 29.51 ? ? ? ? ? . 216 LEU A CB 504 ATOM 1722 C CG . LEU A 504 216 . 3.997 21.559 -19.295 1.00 28.59 ? ? ? ? ? . 216 LEU A CG 504 ATOM 1723 C CD1 . LEU A 504 216 . 3.381 22.862 -18.853 1.00 26.35 ? ? ? ? ? . 216 LEU A CD1 504 ATOM 1724 C CD2 . LEU A 504 216 . 5.463 21.758 -19.704 1.00 27.09 ? ? ? ? ? . 216 LEU A CD2 504 ATOM 1725 C C . LEU A 504 216 . 4.214 18.280 -17.090 1.00 30.09 ? ? ? ? ? . 216 LEU A C 504 ATOM 1726 O O . LEU A 504 216 . 3.126 17.653 -17.085 1.00 30.15 ? ? ? ? ? . 216 LEU A O 504 ATOM 1727 N N . SER A 504 217 . 5.102 18.178 -16.109 1.00 29.47 ? ? ? ? ? . 217 SER A N 504 ATOM 1728 C CA . SER A 504 217 . 4.742 17.415 -14.947 1.00 29.63 ? ? ? ? ? . 217 SER A CA 504 ATOM 1729 C CB . SER A 504 217 . 5.347 16.013 -14.973 1.00 29.16 ? ? ? ? ? . 217 SER A CB 504 ATOM 1730 O OG . SER A 504 217 . 6.758 16.090 -14.945 1.00 29.34 ? ? ? ? ? . 217 SER A OG 504 ATOM 1731 C C . SER A 504 217 . 5.135 18.169 -13.708 1.00 29.50 ? ? ? ? ? . 217 SER A C 504 ATOM 1732 O O . SER A 504 217 . 6.259 18.652 -13.578 1.00 29.31 ? ? ? ? ? . 217 SER A O 504 ATOM 1733 N N . ASP A 504 218 . 4.173 18.262 -12.804 1.00 29.66 ? ? ? ? ? . 218 ASP A N 504 ATOM 1734 C CA . ASP A 504 218 . 4.362 18.944 -11.551 1.00 29.45 ? ? ? ? ? . 218 ASP A CA 504 ATOM 1735 C CB . ASP A 504 218 . 5.376 18.199 -10.709 1.00 29.63 ? ? ? ? ? . 218 ASP A CB 504 ATOM 1736 C CG . ASP A 504 218 . 5.856 19.014 -9.574 1.00 29.97 ? ? ? ? ? . 218 ASP A CG 504 ATOM 1737 O OD1 . ASP A 504 218 . 5.011 19.728 -8.989 1.00 28.63 ? ? ? ? ? . 218 ASP A OD1 504 ATOM 1738 O OD2 . ASP A 504 218 . 7.083 18.970 -9.315 1.00 30.94 ? ? ? ? ? . 218 ASP A OD2 504 ATOM 1739 C C . ASP A 504 218 . 4.849 20.335 -11.851 1.00 29.07 ? ? ? ? ? . 218 ASP A C 504 ATOM 1740 O O . ASP A 504 218 . 5.992 20.643 -11.605 1.00 29.76 ? ? ? ? ? . 218 ASP A O 504 ATOM 1741 N N . ARG A 504 219 . 3.976 21.162 -12.412 1.00 28.41 ? ? ? ? ? . 219 ARG A N 504 ATOM 1742 C CA . ARG A 504 219 . 4.369 22.445 -12.945 1.00 27.21 ? ? ? ? ? . 219 ARG A CA 504 ATOM 1743 C CB . ARG A 504 219 . 5.054 22.206 -14.280 1.00 27.29 ? ? ? ? ? . 219 ARG A CB 504 ATOM 1744 C CG . ARG A 504 219 . 5.847 23.358 -14.840 1.00 30.29 ? ? ? ? ? . 219 ARG A CG 504 ATOM 1745 C CD . ARG A 504 219 . 6.161 23.047 -16.302 1.00 34.35 ? ? ? ? ? . 219 ARG A CD 504 ATOM 1746 N NE . ARG A 504 219 . 6.787 24.131 -17.080 1.00 37.14 ? ? ? ? ? . 219 ARG A NE 504 ATOM 1747 C CZ . ARG A 504 219 . 6.329 25.376 -17.224 1.00 38.10 ? ? ? ? ? . 219 ARG A CZ 504 ATOM 1748 N NH1 . ARG A 504 219 . 5.250 25.804 -16.593 1.00 38.81 ? ? ? ? ? . 219 ARG A NH1 504 ATOM 1749 N NH2 . ARG A 504 219 . 6.995 26.220 -17.989 1.00 40.39 ? ? ? ? ? . 219 ARG A NH2 504 ATOM 1750 C C . ARG A 504 219 . 3.144 23.353 -13.113 1.00 26.54 ? ? ? ? ? . 219 ARG A C 504 ATOM 1751 O O . ARG A 504 219 . 2.021 22.877 -13.420 1.00 25.94 ? ? ? ? ? . 219 ARG A O 504 ATOM 1752 N N . TRP A 504 220 . 3.355 24.658 -12.894 1.00 25.38 ? ? ? ? ? . 220 TRP A N 504 ATOM 1753 C CA . TRP A 504 220 . 2.335 25.666 -13.209 1.00 24.31 ? ? ? ? ? . 220 TRP A CA 504 ATOM 1754 C CB . TRP A 504 220 . 2.422 26.812 -12.228 1.00 23.97 ? ? ? ? ? . 220 TRP A CB 504 ATOM 1755 C CG . TRP A 504 220 . 1.858 26.478 -10.867 1.00 22.31 ? ? ? ? ? . 220 TRP A CG 504 ATOM 1756 C CD1 . TRP A 504 220 . 2.550 26.092 -9.760 1.00 19.63 ? ? ? ? ? . 220 TRP A CD1 504 ATOM 1757 N NE1 . TRP A 504 220 . 1.690 25.893 -8.710 1.00 19.94 ? ? ? ? ? . 220 TRP A NE1 504 ATOM 1758 C CE2 . TRP A 504 220 . 0.415 26.145 -9.134 1.00 20.26 ? ? ? ? ? . 220 TRP A CE2 504 ATOM 1759 C CD2 . TRP A 504 220 . 0.486 26.519 -10.493 1.00 20.82 ? ? ? ? ? . 220 TRP A CD2 504 ATOM 1760 C CE3 . TRP A 504 220 . -0.704 26.846 -11.180 1.00 21.37 ? ? ? ? ? . 220 TRP A CE3 504 ATOM 1761 C CZ3 . TRP A 504 220 . -1.904 26.783 -10.496 1.00 22.10 ? ? ? ? ? . 220 TRP A CZ3 504 ATOM 1762 C CH2 . TRP A 504 220 . -1.942 26.400 -9.126 1.00 22.57 ? ? ? ? ? . 220 TRP A CH2 504 ATOM 1763 C CZ2 . TRP A 504 220 . -0.796 26.089 -8.434 1.00 21.17 ? ? ? ? ? . 220 TRP A CZ2 504 ATOM 1764 C C . TRP A 504 220 . 2.442 26.205 -14.629 1.00 24.60 ? ? ? ? ? . 220 TRP A C 504 ATOM 1765 O O . TRP A 504 220 . 3.537 26.515 -15.105 1.00 24.21 ? ? ? ? ? . 220 TRP A O 504 ATOM 1766 N N . LYS A 504 221 . 1.307 26.327 -15.312 1.00 24.93 ? ? ? ? ? . 221 LYS A N 504 ATOM 1767 C CA . LYS A 504 221 . 1.301 26.942 -16.647 1.00 25.68 ? ? ? ? ? . 221 LYS A CA 504 ATOM 1768 C CB . LYS A 504 221 . 0.944 25.914 -17.722 1.00 25.62 ? ? ? ? ? . 221 LYS A CB 504 ATOM 1769 C CG . LYS A 504 221 . 0.864 26.446 -19.142 1.00 24.74 ? ? ? ? ? . 221 LYS A CG 504 ATOM 1770 C CD . LYS A 504 221 . 2.238 26.855 -19.687 1.00 26.23 ? ? ? ? ? . 221 LYS A CD 504 ATOM 1771 C CE . LYS A 504 221 . 2.143 27.412 -21.134 1.00 25.13 ? ? ? ? ? . 221 LYS A CE 504 ATOM 1772 N NZ . LYS A 504 221 . 3.483 27.665 -21.636 1.00 23.15 ? ? ? ? ? . 221 LYS A NZ 504 ATOM 1773 C C . LYS A 504 221 . 0.318 28.093 -16.649 1.00 26.26 ? ? ? ? ? . 221 LYS A C 504 ATOM 1774 O O . LYS A 504 221 . -0.770 27.963 -16.110 1.00 26.77 ? ? ? ? ? . 221 LYS A O 504 ATOM 1775 N N . LYS A 504 222 . 0.714 29.231 -17.214 1.00 27.15 ? ? ? ? ? . 222 LYS A N 504 ATOM 1776 C CA . LYS A 504 222 . -0.212 30.377 -17.375 1.00 27.66 ? ? ? ? ? . 222 LYS A CA 504 ATOM 1777 C CB . LYS A 504 222 . 0.429 31.722 -17.007 1.00 27.75 ? ? ? ? ? . 222 LYS A CB 504 ATOM 1778 C CG . LYS A 504 222 . -0.570 32.735 -16.488 1.00 28.85 ? ? ? ? ? . 222 LYS A CG 504 ATOM 1779 C CD . LYS A 504 222 . -0.069 34.175 -16.620 1.00 28.90 ? ? ? ? ? . 222 LYS A CD 504 ATOM 1780 C CE . LYS A 504 222 . -1.280 35.160 -16.578 1.00 28.37 ? ? ? ? ? . 222 LYS A CE 504 ATOM 1781 N NZ . LYS A 504 222 . -1.423 35.943 -15.328 1.00 27.23 ? ? ? ? ? . 222 LYS A NZ 504 ATOM 1782 C C . LYS A 504 222 . -0.605 30.376 -18.835 1.00 27.99 ? ? ? ? ? . 222 LYS A C 504 ATOM 1783 O O . LYS A 504 222 . 0.253 30.528 -19.754 1.00 27.90 ? ? ? ? ? . 222 LYS A O 504 ATOM 1784 N N . HIS A 504 223 . -1.884 30.137 -19.077 1.00 27.06 ? ? ? ? ? . 223 HIS A N 504 ATOM 1785 C CA . HIS A 504 223 . -2.250 29.878 -20.430 1.00 26.24 ? ? ? ? ? . 223 HIS A CA 504 ATOM 1786 C CB . HIS A 504 223 . -3.393 28.855 -20.497 1.00 26.03 ? ? ? ? ? . 223 HIS A CB 504 ATOM 1787 C CG . HIS A 504 223 . -3.623 28.271 -21.865 1.00 24.35 ? ? ? ? ? . 223 HIS A CG 504 ATOM 1788 N ND1 . HIS A 504 223 . -4.875 27.904 -22.313 1.00 23.33 ? ? ? ? ? . 223 HIS A ND1 504 ATOM 1789 C CE1 . HIS A 504 223 . -4.784 27.435 -23.544 1.00 19.86 ? ? ? ? ? . 223 HIS A CE1 504 ATOM 1790 N NE2 . HIS A 504 223 . -3.521 27.508 -23.919 1.00 19.58 ? ? ? ? ? . 223 HIS A NE2 504 ATOM 1791 C CD2 . HIS A 504 223 . -2.772 28.017 -22.888 1.00 21.92 ? ? ? ? ? . 223 HIS A CD2 504 ATOM 1792 C C . HIS A 504 223 . -2.558 31.157 -21.202 1.00 26.94 ? ? ? ? ? . 223 HIS A C 504 ATOM 1793 O O . HIS A 504 223 . -2.819 32.247 -20.671 1.00 27.27 ? ? ? ? ? . 223 HIS A O 504 ATOM 1794 N N . THR A 504 224 . -2.486 30.990 -22.504 1.00 26.99 ? ? ? ? ? . 224 THR A N 504 ATOM 1795 C CA . THR A 504 224 . -3.022 31.890 -23.469 1.00 25.71 ? ? ? ? ? . 224 THR A CA 504 ATOM 1796 C CB . THR A 504 224 . -3.040 31.106 -24.743 1.00 25.62 ? ? ? ? ? . 224 THR A CB 504 ATOM 1797 O OG1 . THR A 504 224 . -2.202 31.769 -25.683 1.00 24.48 ? ? ? ? ? . 224 THR A OG1 504 ATOM 1798 C CG2 . THR A 504 224 . -4.508 30.837 -25.268 1.00 26.16 ? ? ? ? ? . 224 THR A CG2 504 ATOM 1799 C C . THR A 504 224 . -4.428 32.468 -23.157 1.00 25.57 ? ? ? ? ? . 224 THR A C 504 ATOM 1800 O O . THR A 504 224 . -4.857 33.386 -23.842 1.00 25.54 ? ? ? ? ? . 224 THR A O 504 ATOM 1801 N N . ASP A 504 225 . -5.147 31.945 -22.161 1.00 25.12 ? ? ? ? ? . 225 ASP A N 504 ATOM 1802 C CA . ASP A 504 225 . -6.498 32.472 -21.853 1.00 25.02 ? ? ? ? ? . 225 ASP A CA 504 ATOM 1803 C CB . ASP A 504 225 . -7.569 31.375 -21.813 1.00 24.07 ? ? ? ? ? . 225 ASP A CB 504 ATOM 1804 C CG . ASP A 504 225 . -7.288 30.325 -20.743 1.00 24.60 ? ? ? ? ? . 225 ASP A CG 504 ATOM 1805 O OD1 . ASP A 504 225 . -6.164 30.354 -20.184 1.00 24.22 ? ? ? ? ? . 225 ASP A OD1 504 ATOM 1806 O OD2 . ASP A 504 225 . -8.166 29.474 -20.453 1.00 21.62 ? ? ? ? ? . 225 ASP A OD2 504 ATOM 1807 C C . ASP A 504 225 . -6.483 33.203 -20.516 1.00 25.48 ? ? ? ? ? . 225 ASP A C 504 ATOM 1808 O O . ASP A 504 225 . -7.546 33.417 -19.898 1.00 25.79 ? ? ? ? ? . 225 ASP A O 504 ATOM 1809 N N . GLY A 504 226 . -5.277 33.546 -20.064 1.00 25.01 ? ? ? ? ? . 226 GLY A N 504 ATOM 1810 C CA . GLY A 504 226 . -5.095 34.290 -18.834 1.00 24.89 ? ? ? ? ? . 226 GLY A CA 504 ATOM 1811 C C . GLY A 504 226 . -5.360 33.505 -17.569 1.00 25.36 ? ? ? ? ? . 226 GLY A C 504 ATOM 1812 O O . GLY A 504 226 . -5.436 34.085 -16.469 1.00 25.30 ? ? ? ? ? . 226 GLY A O 504 ATOM 1813 N N . ASN A 504 227 . -5.510 32.192 -17.723 1.00 25.77 ? ? ? ? ? . 227 ASN A N 504 ATOM 1814 C CA . ASN A 504 227 . -5.723 31.285 -16.600 1.00 26.08 ? ? ? ? ? . 227 ASN A CA 504 ATOM 1815 C CB . ASN A 504 227 . -6.777 30.259 -16.957 1.00 26.31 ? ? ? ? ? . 227 ASN A CB 504 ATOM 1816 C CG . ASN A 504 227 . -8.192 30.838 -16.946 1.00 27.48 ? ? ? ? ? . 227 ASN A CG 504 ATOM 1817 O OD1 . ASN A 504 227 . -8.689 31.305 -15.917 1.00 26.86 ? ? ? ? ? . 227 ASN A OD1 504 ATOM 1818 N ND2 . ASN A 504 227 . -8.856 30.765 -18.083 1.00 27.74 ? ? ? ? ? . 227 ASN A ND2 504 ATOM 1819 C C . ASN A 504 227 . -4.453 30.560 -16.205 1.00 25.99 ? ? ? ? ? . 227 ASN A C 504 ATOM 1820 O O . ASN A 504 227 . -3.570 30.325 -17.038 1.00 26.78 ? ? ? ? ? . 227 ASN A O 504 ATOM 1821 N N . TRP A 504 228 . -4.354 30.230 -14.922 1.00 25.89 ? ? ? ? ? . 228 TRP A N 504 ATOM 1822 C CA . TRP A 504 228 . -3.296 29.365 -14.423 1.00 25.34 ? ? ? ? ? . 228 TRP A CA 504 ATOM 1823 C CB . TRP A 504 228 . -2.878 29.792 -13.028 1.00 25.61 ? ? ? ? ? . 228 TRP A CB 504 ATOM 1824 C CG . TRP A 504 228 . -2.026 30.992 -13.022 1.00 25.54 ? ? ? ? ? . 228 TRP A CG 504 ATOM 1825 C CD1 . TRP A 504 228 . -2.428 32.292 -12.811 1.00 25.68 ? ? ? ? ? . 228 TRP A CD1 504 ATOM 1826 N NE1 . TRP A 504 228 . -1.349 33.137 -12.886 1.00 26.53 ? ? ? ? ? . 228 TRP A NE1 504 ATOM 1827 C CE2 . TRP A 504 228 . -0.227 32.401 -13.163 1.00 26.87 ? ? ? ? ? . 228 TRP A CE2 504 ATOM 1828 C CD2 . TRP A 504 228 . -0.620 31.037 -13.255 1.00 25.80 ? ? ? ? ? . 228 TRP A CD2 504 ATOM 1829 C CE3 . TRP A 504 228 . 0.349 30.066 -13.537 1.00 24.95 ? ? ? ? ? . 228 TRP A CE3 504 ATOM 1830 C CZ3 . TRP A 504 228 . 1.676 30.468 -13.701 1.00 25.98 ? ? ? ? ? . 228 TRP A CZ3 504 ATOM 1831 C CH2 . TRP A 504 228 . 2.040 31.834 -13.608 1.00 27.99 ? ? ? ? ? . 228 TRP A CH2 504 ATOM 1832 C CZ2 . TRP A 504 228 . 1.102 32.812 -13.329 1.00 26.82 ? ? ? ? ? . 228 TRP A CZ2 504 ATOM 1833 C C . TRP A 504 228 . -3.769 27.920 -14.386 1.00 25.53 ? ? ? ? ? . 228 TRP A C 504 ATOM 1834 O O . TRP A 504 228 . -4.916 27.630 -13.936 1.00 25.56 ? ? ? ? ? . 228 TRP A O 504 ATOM 1835 N N . TYR A 504 229 . -2.884 27.033 -14.863 1.00 24.86 ? ? ? ? ? . 229 TYR A N 504 ATOM 1836 C CA . TYR A 504 229 . -3.100 25.577 -14.876 1.00 24.46 ? ? ? ? ? . 229 TYR A CA 504 ATOM 1837 C CB . TYR A 504 229 . -3.163 25.058 -16.308 1.00 23.97 ? ? ? ? ? . 229 TYR A CB 504 ATOM 1838 C CG . TYR A 504 229 . -4.390 25.542 -16.999 1.00 23.79 ? ? ? ? ? . 229 TYR A CG 504 ATOM 1839 C CD1 . TYR A 504 229 . -5.598 24.849 -16.880 1.00 24.37 ? ? ? ? ? . 229 TYR A CD1 504 ATOM 1840 C CE1 . TYR A 504 229 . -6.761 25.316 -17.517 1.00 25.12 ? ? ? ? ? . 229 TYR A CE1 504 ATOM 1841 C CZ . TYR A 504 229 . -6.699 26.494 -18.250 1.00 23.98 ? ? ? ? ? . 229 TYR A CZ 504 ATOM 1842 O OH . TYR A 504 229 . -7.814 26.980 -18.855 1.00 26.27 ? ? ? ? ? . 229 TYR A OH 504 ATOM 1843 C CE2 . TYR A 504 229 . -5.513 27.188 -18.379 1.00 23.72 ? ? ? ? ? . 229 TYR A CE2 504 ATOM 1844 C CD2 . TYR A 504 229 . -4.370 26.723 -17.742 1.00 23.44 ? ? ? ? ? . 229 TYR A CD2 504 ATOM 1845 C C . TYR A 504 229 . -2.035 24.824 -14.103 1.00 24.22 ? ? ? ? ? . 229 TYR A C 504 ATOM 1846 O O . TYR A 504 229 . -0.885 25.200 -14.152 1.00 25.06 ? ? ? ? ? . 229 TYR A O 504 ATOM 1847 N N . TYR A 504 230 . -2.424 23.798 -13.347 1.00 24.33 ? ? ? ? ? . 230 TYR A N 504 ATOM 1848 C CA . TYR A 504 230 . -1.443 22.915 -12.726 1.00 24.20 ? ? ? ? ? . 230 TYR A CA 504 ATOM 1849 C CB . TYR A 504 230 . -1.565 22.881 -11.206 1.00 23.51 ? ? ? ? ? . 230 TYR A CB 504 ATOM 1850 C CG . TYR A 504 230 . -0.503 21.983 -10.578 1.00 22.14 ? ? ? ? ? . 230 TYR A CG 504 ATOM 1851 C CD1 . TYR A 504 230 . 0.792 22.457 -10.332 1.00 20.98 ? ? ? ? ? . 230 TYR A CD1 504 ATOM 1852 C CE1 . TYR A 504 230 . 1.760 21.645 -9.773 1.00 20.20 ? ? ? ? ? . 230 TYR A CE1 504 ATOM 1853 C CZ . TYR A 504 230 . 1.437 20.324 -9.467 1.00 22.35 ? ? ? ? ? . 230 TYR A CZ 504 ATOM 1854 O OH . TYR A 504 230 . 2.374 19.482 -8.899 1.00 23.33 ? ? ? ? ? . 230 TYR A OH 504 ATOM 1855 C CE2 . TYR A 504 230 . 0.164 19.826 -9.716 1.00 21.98 ? ? ? ? ? . 230 TYR A CE2 504 ATOM 1856 C CD2 . TYR A 504 230 . -0.788 20.656 -10.269 1.00 21.46 ? ? ? ? ? . 230 TYR A CD2 504 ATOM 1857 C C . TYR A 504 230 . -1.506 21.489 -13.271 1.00 24.66 ? ? ? ? ? . 230 TYR A C 504 ATOM 1858 O O . TYR A 504 230 . -2.599 20.936 -13.449 1.00 24.58 ? ? ? ? ? . 230 TYR A O 504 ATOM 1859 N N . PHE A 504 231 . -0.320 20.919 -13.496 1.00 24.93 ? ? ? ? ? . 231 PHE A N 504 ATOM 1860 C CA . PHE A 504 231 . -0.126 19.559 -13.986 1.00 25.78 ? ? ? ? ? . 231 PHE A CA 504 ATOM 1861 C CB . PHE A 504 231 . 0.644 19.620 -15.290 1.00 26.12 ? ? ? ? ? . 231 PHE A CB 504 ATOM 1862 C CG . PHE A 504 231 . -0.041 20.418 -16.326 1.00 27.79 ? ? ? ? ? . 231 PHE A CG 504 ATOM 1863 C CD1 . PHE A 504 231 . -1.183 19.920 -16.949 1.00 29.06 ? ? ? ? ? . 231 PHE A CD1 504 ATOM 1864 C CE1 . PHE A 504 231 . -1.838 20.657 -17.905 1.00 30.83 ? ? ? ? ? . 231 PHE A CE1 504 ATOM 1865 C CZ . PHE A 504 231 . -1.363 21.920 -18.249 1.00 31.92 ? ? ? ? ? . 231 PHE A CZ 504 ATOM 1866 C CE2 . PHE A 504 231 . -0.218 22.432 -17.628 1.00 30.49 ? ? ? ? ? . 231 PHE A CE2 504 ATOM 1867 C CD2 . PHE A 504 231 . 0.424 21.679 -16.661 1.00 29.65 ? ? ? ? ? . 231 PHE A CD2 504 ATOM 1868 C C . PHE A 504 231 . 0.673 18.737 -13.011 1.00 25.94 ? ? ? ? ? . 231 PHE A C 504 ATOM 1869 O O . PHE A 504 231 . 1.832 19.106 -12.738 1.00 25.39 ? ? ? ? ? . 231 PHE A O 504 ATOM 1870 N N . ASP A 504 232 . 0.088 17.634 -12.506 1.00 26.24 ? ? ? ? ? . 232 ASP A N 504 ATOM 1871 C CA . ASP A 504 232 . 0.731 16.856 -11.419 1.00 27.07 ? ? ? ? ? . 232 ASP A CA 504 ATOM 1872 C CB . ASP A 504 232 . -0.242 15.966 -10.634 1.00 26.42 ? ? ? ? ? . 232 ASP A CB 504 ATOM 1873 C CG . ASP A 504 232 . -0.922 14.930 -11.486 1.00 27.05 ? ? ? ? ? . 232 ASP A CG 504 ATOM 1874 O OD1 . ASP A 504 232 . -0.347 14.454 -12.475 1.00 28.10 ? ? ? ? ? . 232 ASP A OD1 504 ATOM 1875 O OD2 . ASP A 504 232 . -2.061 14.574 -11.153 1.00 27.54 ? ? ? ? ? . 232 ASP A OD2 504 ATOM 1876 C C . ASP A 504 232 . 1.963 16.107 -11.896 1.00 28.05 ? ? ? ? ? . 232 ASP A C 504 ATOM 1877 O O . ASP A 504 232 . 2.265 16.142 -13.076 1.00 28.61 ? ? ? ? ? . 232 ASP A O 504 ATOM 1878 N N . GLN A 504 233 . 2.704 15.461 -10.998 1.00 29.42 ? ? ? ? ? . 233 GLN A N 504 ATOM 1879 C CA . GLN A 504 233 . 3.912 14.773 -11.434 1.00 30.63 ? ? ? ? ? . 233 GLN A CA 504 ATOM 1880 C CB . GLN A 504 233 . 4.654 14.081 -10.294 1.00 31.05 ? ? ? ? ? . 233 GLN A CB 504 ATOM 1881 C CG . GLN A 504 233 . 6.166 13.808 -10.625 1.00 34.92 ? ? ? ? ? . 233 GLN A CG 504 ATOM 1882 C CD . GLN A 504 233 . 7.126 14.436 -9.595 1.00 40.58 ? ? ? ? ? . 233 GLN A CD 504 ATOM 1883 O OE1 . GLN A 504 233 . 6.775 14.610 -8.419 1.00 43.50 ? ? ? ? ? . 233 GLN A OE1 504 ATOM 1884 N NE2 . GLN A 504 233 . 8.333 14.786 -10.039 1.00 41.33 ? ? ? ? ? . 233 GLN A NE2 504 ATOM 1885 C C . GLN A 504 233 . 3.611 13.813 -12.561 1.00 30.47 ? ? ? ? ? . 233 GLN A C 504 ATOM 1886 O O . GLN A 504 233 . 4.428 13.645 -13.467 1.00 30.86 ? ? ? ? ? . 233 GLN A O 504 ATOM 1887 N N . SER A 504 234 . 2.411 13.234 -12.540 1.00 30.66 ? ? ? ? ? . 234 SER A N 504 ATOM 1888 C CA . SER A 504 234 . 1.976 12.332 -13.612 1.00 30.52 ? ? ? ? ? . 234 SER A CA 504 ATOM 1889 C CB . SER A 504 234 . 0.765 11.529 -13.177 1.00 30.78 ? ? ? ? ? . 234 SER A CB 504 ATOM 1890 O OG . SER A 504 234 . -0.390 12.032 -13.839 1.00 32.10 ? ? ? ? ? . 234 SER A OG 504 ATOM 1891 C C . SER A 504 234 . 1.598 13.062 -14.892 1.00 30.10 ? ? ? ? ? . 234 SER A C 504 ATOM 1892 O O . SER A 504 234 . 1.457 12.419 -15.930 1.00 30.59 ? ? ? ? ? . 234 SER A O 504 ATOM 1893 N N . GLY A 504 235 . 1.363 14.373 -14.806 1.00 29.35 ? ? ? ? ? . 235 GLY A N 504 ATOM 1894 C CA . GLY A 504 235 . 0.984 15.177 -15.968 1.00 28.86 ? ? ? ? ? . 235 GLY A CA 504 ATOM 1895 C C . GLY A 504 235 . -0.487 15.516 -16.125 1.00 28.83 ? ? ? ? ? . 235 GLY A C 504 ATOM 1896 O O . GLY A 504 235 . -0.843 16.265 -17.021 1.00 29.56 ? ? ? ? ? . 235 GLY A O 504 ATOM 1897 N N . GLU A 504 236 . -1.345 14.997 -15.253 1.00 28.60 ? ? ? ? ? . 236 GLU A N 504 ATOM 1898 C CA . GLU A 504 236 . -2.770 15.281 -15.323 1.00 28.51 ? ? ? ? ? . 236 GLU A CA 504 ATOM 1899 C CB . GLU A 504 236 . -3.527 14.349 -14.384 1.00 29.13 ? ? ? ? ? . 236 GLU A CB 504 ATOM 1900 C CG . GLU A 504 236 . -5.020 14.332 -14.582 1.00 31.36 ? ? ? ? ? . 236 GLU A CG 504 ATOM 1901 C CD . GLU A 504 236 . -5.688 13.127 -13.913 1.00 36.75 ? ? ? ? ? . 236 GLU A CD 504 ATOM 1902 O OE1 . GLU A 504 236 . -5.538 12.961 -12.674 1.00 39.22 ? ? ? ? ? . 236 GLU A OE1 504 ATOM 1903 O OE2 . GLU A 504 236 . -6.372 12.348 -14.626 1.00 38.32 ? ? ? ? ? . 236 GLU A OE2 504 ATOM 1904 C C . GLU A 504 236 . -3.082 16.743 -14.957 1.00 28.26 ? ? ? ? ? . 236 GLU A C 504 ATOM 1905 O O . GLU A 504 236 . -2.635 17.251 -13.893 1.00 27.81 ? ? ? ? ? . 236 GLU A O 504 ATOM 1906 N N . MET A 504 237 . -3.834 17.407 -15.853 1.00 26.90 ? ? ? ? ? . 237 MET A N 504 ATOM 1907 C CA . MET A 504 237 . -4.381 18.737 -15.594 1.00 25.29 ? ? ? ? ? . 237 MET A CA 504 ATOM 1908 C CB . MET A 504 237 . -5.248 19.213 -16.759 1.00 25.02 ? ? ? ? ? . 237 MET A CB 504 ATOM 1909 C CG . MET A 504 237 . -6.117 20.422 -16.416 1.00 24.10 ? ? ? ? ? . 237 MET A CG 504 ATOM 1910 S SD . MET A 504 237 . -7.233 21.088 -17.685 1.00 23.82 ? ? ? ? ? . 237 MET A SD 504 ATOM 1911 C CE . MET A 504 237 . -8.395 19.756 -17.904 1.00 16.81 ? ? ? ? ? . 237 MET A CE 504 ATOM 1912 C C . MET A 504 237 . -5.226 18.695 -14.339 1.00 24.28 ? ? ? ? ? . 237 MET A C 504 ATOM 1913 O O . MET A 504 237 . -6.146 17.908 -14.256 1.00 24.29 ? ? ? ? ? . 237 MET A O 504 ATOM 1914 N N . ALA A 504 238 . -4.914 19.552 -13.378 1.00 23.49 ? ? ? ? ? . 238 ALA A N 504 ATOM 1915 C CA . ALA A 504 238 . -5.618 19.562 -12.111 1.00 23.03 ? ? ? ? ? . 238 ALA A CA 504 ATOM 1916 C CB . ALA A 504 238 . -4.833 20.318 -11.052 1.00 22.01 ? ? ? ? ? . 238 ALA A CB 504 ATOM 1917 C C . ALA A 504 238 . -7.039 20.085 -12.244 1.00 23.57 ? ? ? ? ? . 238 ALA A C 504 ATOM 1918 O O . ALA A 504 238 . -7.347 20.881 -13.123 1.00 24.26 ? ? ? ? ? . 238 ALA A O 504 ATOM 1919 N N . THR A 504 239 . -7.888 19.633 -11.335 1.00 24.40 ? ? ? ? ? . 239 THR A N 504 ATOM 1920 C CA . THR A 504 239 . -9.307 19.779 -11.393 1.00 25.19 ? ? ? ? ? . 239 THR A CA 504 ATOM 1921 C CB . THR A 504 239 . -9.861 18.663 -12.275 1.00 25.98 ? ? ? ? ? . 239 THR A CB 504 ATOM 1922 O OG1 . THR A 504 239 . -9.901 19.100 -13.648 1.00 26.67 ? ? ? ? ? . 239 THR A OG1 504 ATOM 1923 C CG2 . THR A 504 239 . -11.255 18.132 -11.789 1.00 26.01 ? ? ? ? ? . 239 THR A CG2 504 ATOM 1924 C C . THR A 504 239 . -9.767 19.573 -9.961 1.00 26.17 ? ? ? ? ? . 239 THR A C 504 ATOM 1925 O O . THR A 504 239 . -9.313 18.634 -9.297 1.00 26.88 ? ? ? ? ? . 239 THR A O 504 ATOM 1926 N N . GLY A 504 240 . -10.657 20.443 -9.480 1.00 26.52 ? ? ? ? ? . 240 GLY A N 504 ATOM 1927 C CA . GLY A 504 240 . -11.176 20.356 -8.122 1.00 26.95 ? ? ? ? ? . 240 GLY A CA 504 ATOM 1928 C C . GLY A 504 240 . -10.154 20.918 -7.173 1.00 27.51 ? ? ? ? ? . 240 GLY A C 504 ATOM 1929 O O . GLY A 504 240 . -9.227 21.610 -7.624 1.00 28.18 ? ? ? ? ? . 240 GLY A O 504 ATOM 1930 N N . TRP A 504 241 . -10.308 20.616 -5.875 1.00 27.25 ? ? ? ? ? . 241 TRP A N 504 ATOM 1931 C CA . TRP A 504 241 . -9.321 20.984 -4.851 1.00 27.20 ? ? ? ? ? . 241 TRP A CA 504 ATOM 1932 C CB . TRP A 504 241 . -9.901 20.774 -3.438 1.00 27.08 ? ? ? ? ? . 241 TRP A CB 504 ATOM 1933 C CG . TRP A 504 241 . -10.964 21.787 -3.089 1.00 27.65 ? ? ? ? ? . 241 TRP A CG 504 ATOM 1934 C CD1 . TRP A 504 241 . -12.350 21.625 -3.177 1.00 28.14 ? ? ? ? ? . 241 TRP A CD1 504 ATOM 1935 N NE1 . TRP A 504 241 . -12.992 22.783 -2.820 1.00 27.53 ? ? ? ? ? . 241 TRP A NE1 504 ATOM 1936 C CE2 . TRP A 504 241 . -12.047 23.723 -2.488 1.00 28.28 ? ? ? ? ? . 241 TRP A CE2 504 ATOM 1937 C CD2 . TRP A 504 241 . -10.756 23.127 -2.657 1.00 26.70 ? ? ? ? ? . 241 TRP A CD2 504 ATOM 1938 C CE3 . TRP A 504 241 . -9.616 23.891 -2.397 1.00 24.87 ? ? ? ? ? . 241 TRP A CE3 504 ATOM 1939 C CZ3 . TRP A 504 241 . -9.773 25.195 -1.954 1.00 24.90 ? ? ? ? ? . 241 TRP A CZ3 504 ATOM 1940 C CH2 . TRP A 504 241 . -11.074 25.762 -1.783 1.00 27.84 ? ? ? ? ? . 241 TRP A CH2 504 ATOM 1941 C CZ2 . TRP A 504 241 . -12.212 25.046 -2.051 1.00 27.27 ? ? ? ? ? . 241 TRP A CZ2 504 ATOM 1942 C C . TRP A 504 241 . -7.993 20.228 -5.013 1.00 27.22 ? ? ? ? ? . 241 TRP A C 504 ATOM 1943 O O . TRP A 504 241 . -7.982 19.078 -5.418 1.00 27.84 ? ? ? ? ? . 241 TRP A O 504 ATOM 1944 N N . LYS A 504 242 . -6.874 20.863 -4.696 1.00 27.24 ? ? ? ? ? . 242 LYS A N 504 ATOM 1945 C CA . LYS A 504 242 . -5.564 20.198 -4.790 1.00 27.68 ? ? ? ? ? . 242 LYS A CA 504 ATOM 1946 C CB . LYS A 504 242 . -5.041 20.206 -6.239 1.00 27.69 ? ? ? ? ? . 242 LYS A CB 504 ATOM 1947 C CG . LYS A 504 242 . -5.119 18.899 -7.013 1.00 29.85 ? ? ? ? ? . 242 LYS A CG 504 ATOM 1948 C CD . LYS A 504 242 . -3.676 18.466 -7.468 1.00 34.80 ? ? ? ? ? . 242 LYS A CD 504 ATOM 1949 C CE . LYS A 504 242 . -3.656 17.342 -8.541 1.00 37.96 ? ? ? ? ? . 242 LYS A CE 504 ATOM 1950 N NZ . LYS A 504 242 . -3.730 15.933 -8.026 1.00 37.60 ? ? ? ? ? . 242 LYS A NZ 504 ATOM 1951 C C . LYS A 504 242 . -4.556 20.912 -3.888 1.00 27.76 ? ? ? ? ? . 242 LYS A C 504 ATOM 1952 O O . LYS A 504 242 . -4.311 22.103 -4.084 1.00 27.70 ? ? ? ? ? . 242 LYS A O 504 ATOM 1953 N N . LYS A 504 243 . -3.999 20.206 -2.898 1.00 27.94 ? ? ? ? ? . 243 LYS A N 504 ATOM 1954 C CA . LYS A 504 243 . -2.890 20.735 -2.077 1.00 28.59 ? ? ? ? ? . 243 LYS A CA 504 ATOM 1955 C CB . LYS A 504 243 . -2.704 19.937 -0.770 1.00 28.74 ? ? ? ? ? . 243 LYS A CB 504 ATOM 1956 C CG . LYS A 504 243 . -1.951 20.652 0.344 1.00 28.85 ? ? ? ? ? . 243 LYS A CG 504 ATOM 1957 C CD . LYS A 504 243 . -2.263 20.026 1.741 1.00 30.52 ? ? ? ? ? . 243 LYS A CD 504 ATOM 1958 C CE . LYS A 504 243 . -1.867 20.996 2.889 1.00 33.14 ? ? ? ? ? . 243 LYS A CE 504 ATOM 1959 N NZ . LYS A 504 243 . -1.937 20.435 4.307 1.00 33.94 ? ? ? ? ? . 243 LYS A NZ 504 ATOM 1960 C C . LYS A 504 243 . -1.603 20.668 -2.881 1.00 28.85 ? ? ? ? ? . 243 LYS A C 504 ATOM 1961 O O . LYS A 504 243 . -1.214 19.602 -3.382 1.00 29.58 ? ? ? ? ? . 243 LYS A O 504 ATOM 1962 N N . ILE A 504 244 . -0.949 21.808 -2.994 1.00 28.64 ? ? ? ? ? . 244 ILE A N 504 ATOM 1963 C CA . ILE A 504 244 . 0.206 21.944 -3.830 1.00 28.85 ? ? ? ? ? . 244 ILE A CA 504 ATOM 1964 C CB . ILE A 504 244 . -0.164 22.588 -5.190 1.00 28.92 ? ? ? ? ? . 244 ILE A CB 504 ATOM 1965 C CG1 . ILE A 504 244 . -1.424 21.924 -5.782 1.00 27.59 ? ? ? ? ? . 244 ILE A CG1 504 ATOM 1966 C CD1 . ILE A 504 244 . -1.877 22.516 -7.108 1.00 26.89 ? ? ? ? ? . 244 ILE A CD1 504 ATOM 1967 C CG2 . ILE A 504 244 . 1.018 22.554 -6.159 1.00 26.51 ? ? ? ? ? . 244 ILE A CG2 504 ATOM 1968 C C . ILE A 504 244 . 1.202 22.817 -3.078 1.00 29.98 ? ? ? ? ? . 244 ILE A C 504 ATOM 1969 O O . ILE A 504 244 . 0.957 24.024 -2.842 1.00 30.33 ? ? ? ? ? . 244 ILE A O 504 ATOM 1970 N N . ALA A 504 245 . 2.325 22.196 -2.694 1.00 30.49 ? ? ? ? ? . 245 ALA A N 504 ATOM 1971 C CA . ALA A 504 245 . 3.346 22.849 -1.878 1.00 30.65 ? ? ? ? ? . 245 ALA A CA 504 ATOM 1972 C CB . ALA A 504 245 . 4.084 23.951 -2.675 1.00 30.17 ? ? ? ? ? . 245 ALA A CB 504 ATOM 1973 C C . ALA A 504 245 . 2.703 23.419 -0.620 1.00 30.62 ? ? ? ? ? . 245 ALA A C 504 ATOM 1974 O O . ALA A 504 245 . 2.948 24.558 -0.266 1.00 31.35 ? ? ? ? ? . 245 ALA A O 504 ATOM 1975 N N . ASP A 504 246 . 1.862 22.615 0.022 1.00 30.68 ? ? ? ? ? . 246 ASP A N 504 ATOM 1976 C CA . ASP A 504 246 . 1.311 22.898 1.351 1.00 31.07 ? ? ? ? ? . 246 ASP A CA 504 ATOM 1977 C CB . ASP A 504 246 . 2.438 23.070 2.382 1.00 31.65 ? ? ? ? ? . 246 ASP A CB 504 ATOM 1978 C CG . ASP A 504 246 . 2.024 22.611 3.804 1.00 33.81 ? ? ? ? ? . 246 ASP A CG 504 ATOM 1979 O OD1 . ASP A 504 246 . 1.229 21.637 3.959 1.00 32.07 ? ? ? ? ? . 246 ASP A OD1 504 ATOM 1980 O OD2 . ASP A 504 246 . 2.503 23.257 4.768 1.00 37.08 ? ? ? ? ? . 246 ASP A OD2 504 ATOM 1981 C C . ASP A 504 246 . 0.288 24.049 1.393 1.00 30.56 ? ? ? ? ? . 246 ASP A C 504 ATOM 1982 O O . ASP A 504 246 . 0.099 24.710 2.417 1.00 30.24 ? ? ? ? ? . 246 ASP A O 504 ATOM 1983 N N . LYS A 504 247 . -0.389 24.246 0.259 1.00 30.39 ? ? ? ? ? . 247 LYS A N 504 ATOM 1984 C CA . LYS A 504 247 . -1.414 25.275 0.075 1.00 29.71 ? ? ? ? ? . 247 LYS A CA 504 ATOM 1985 C CB . LYS A 504 247 . -0.791 26.534 -0.529 1.00 29.97 ? ? ? ? ? . 247 LYS A CB 504 ATOM 1986 C CG . LYS A 504 247 . -0.211 27.504 0.492 1.00 30.69 ? ? ? ? ? . 247 LYS A CG 504 ATOM 1987 C CD . LYS A 504 247 . 0.629 28.550 -0.200 1.00 34.46 ? ? ? ? ? . 247 LYS A CD 504 ATOM 1988 C CE . LYS A 504 247 . 1.653 29.167 0.733 1.00 36.79 ? ? ? ? ? . 247 LYS A CE 504 ATOM 1989 N NZ . LYS A 504 247 . 2.131 30.487 0.205 1.00 37.81 ? ? ? ? ? . 247 LYS A NZ 504 ATOM 1990 C C . LYS A 504 247 . -2.533 24.776 -0.830 1.00 28.88 ? ? ? ? ? . 247 LYS A C 504 ATOM 1991 O O . LYS A 504 247 . -2.252 24.172 -1.862 1.00 28.41 ? ? ? ? ? . 247 LYS A O 504 ATOM 1992 N N . TRP A 504 248 . -3.789 25.040 -0.449 1.00 27.72 ? ? ? ? ? . 248 TRP A N 504 ATOM 1993 C CA . TRP A 504 248 . -4.946 24.640 -1.268 1.00 26.94 ? ? ? ? ? . 248 TRP A CA 504 ATOM 1994 C CB . TRP A 504 248 . -6.196 24.484 -0.438 1.00 26.67 ? ? ? ? ? . 248 TRP A CB 504 ATOM 1995 C CG . TRP A 504 248 . -6.203 23.315 0.436 1.00 27.47 ? ? ? ? ? . 248 TRP A CG 504 ATOM 1996 C CD1 . TRP A 504 248 . -5.939 23.297 1.764 1.00 26.51 ? ? ? ? ? . 248 TRP A CD1 504 ATOM 1997 N NE1 . TRP A 504 248 . -6.037 22.025 2.249 1.00 27.84 ? ? ? ? ? . 248 TRP A NE1 504 ATOM 1998 C CE2 . TRP A 504 248 . -6.417 21.189 1.233 1.00 28.82 ? ? ? ? ? . 248 TRP A CE2 504 ATOM 1999 C CD2 . TRP A 504 248 . -6.517 21.972 0.068 1.00 29.74 ? ? ? ? ? . 248 TRP A CD2 504 ATOM 2000 C CE3 . TRP A 504 248 . -6.880 21.353 -1.130 1.00 30.21 ? ? ? ? ? . 248 TRP A CE3 504 ATOM 2001 C CZ3 . TRP A 504 248 . -7.107 19.988 -1.121 1.00 30.68 ? ? ? ? ? . 248 TRP A CZ3 504 ATOM 2002 C CH2 . TRP A 504 248 . -6.997 19.238 0.058 1.00 30.15 ? ? ? ? ? . 248 TRP A CH2 504 ATOM 2003 C CZ2 . TRP A 504 248 . -6.668 19.823 1.242 1.00 28.91 ? ? ? ? ? . 248 TRP A CZ2 504 ATOM 2004 C C . TRP A 504 248 . -5.288 25.595 -2.409 1.00 26.53 ? ? ? ? ? . 248 TRP A C 504 ATOM 2005 O O . TRP A 504 248 . -5.110 26.807 -2.299 1.00 25.75 ? ? ? ? ? . 248 TRP A O 504 ATOM 2006 N N . TYR A 504 249 . -5.799 25.005 -3.495 1.00 25.93 ? ? ? ? ? . 249 TYR A N 504 ATOM 2007 C CA . TYR A 504 249 . -6.263 25.701 -4.688 1.00 24.65 ? ? ? ? ? . 249 TYR A CA 504 ATOM 2008 C CB . TYR A 504 249 . -5.216 25.590 -5.781 1.00 24.50 ? ? ? ? ? . 249 TYR A CB 504 ATOM 2009 C CG . TYR A 504 249 . -3.886 26.184 -5.423 1.00 24.32 ? ? ? ? ? . 249 TYR A CG 504 ATOM 2010 C CD1 . TYR A 504 249 . -3.597 27.521 -5.735 1.00 23.96 ? ? ? ? ? . 249 TYR A CD1 504 ATOM 2011 C CE1 . TYR A 504 249 . -2.352 28.087 -5.409 1.00 24.02 ? ? ? ? ? . 249 TYR A CE1 504 ATOM 2012 C CZ . TYR A 504 249 . -1.393 27.292 -4.777 1.00 23.66 ? ? ? ? ? . 249 TYR A CZ 504 ATOM 2013 O OH . TYR A 504 249 . -0.173 27.836 -4.454 1.00 24.74 ? ? ? ? ? . 249 TYR A OH 504 ATOM 2014 C CE2 . TYR A 504 249 . -1.660 25.956 -4.470 1.00 22.62 ? ? ? ? ? . 249 TYR A CE2 504 ATOM 2015 C CD2 . TYR A 504 249 . -2.900 25.414 -4.785 1.00 22.67 ? ? ? ? ? . 249 TYR A CD2 504 ATOM 2016 C C . TYR A 504 249 . -7.469 24.946 -5.166 1.00 24.20 ? ? ? ? ? . 249 TYR A C 504 ATOM 2017 O O . TYR A 504 249 . -7.464 23.721 -5.095 1.00 24.39 ? ? ? ? ? . 249 TYR A O 504 ATOM 2018 N N . TYR A 504 250 . -8.490 25.672 -5.630 1.00 23.84 ? ? ? ? ? . 250 TYR A N 504 ATOM 2019 C CA . TYR A 504 250 . -9.593 25.112 -6.380 1.00 23.53 ? ? ? ? ? . 250 TYR A CA 504 ATOM 2020 C CB . TYR A 504 250 . -10.914 25.583 -5.815 1.00 24.25 ? ? ? ? ? . 250 TYR A CB 504 ATOM 2021 C CG . TYR A 504 250 . -12.138 24.987 -6.494 1.00 25.63 ? ? ? ? ? . 250 TYR A CG 504 ATOM 2022 C CD1 . TYR A 504 250 . -12.666 23.736 -6.098 1.00 27.98 ? ? ? ? ? . 250 TYR A CD1 504 ATOM 2023 C CE1 . TYR A 504 250 . -13.810 23.200 -6.730 1.00 28.66 ? ? ? ? ? . 250 TYR A CE1 504 ATOM 2024 C CZ . TYR A 504 250 . -14.421 23.935 -7.740 1.00 30.77 ? ? ? ? ? . 250 TYR A CZ 504 ATOM 2025 O OH . TYR A 504 250 . -15.529 23.465 -8.418 1.00 33.73 ? ? ? ? ? . 250 TYR A OH 504 ATOM 2026 C CE2 . TYR A 504 250 . -13.916 25.170 -8.124 1.00 29.58 ? ? ? ? ? . 250 TYR A CE2 504 ATOM 2027 C CD2 . TYR A 504 250 . -12.781 25.680 -7.510 1.00 27.35 ? ? ? ? ? . 250 TYR A CD2 504 ATOM 2028 C C . TYR A 504 250 . -9.509 25.461 -7.852 1.00 23.67 ? ? ? ? ? . 250 TYR A C 504 ATOM 2029 O O . TYR A 504 250 . -9.233 26.605 -8.215 1.00 23.13 ? ? ? ? ? . 250 TYR A O 504 ATOM 2030 N N . PHE A 504 251 . -9.732 24.445 -8.700 1.00 24.20 ? ? ? ? ? . 251 PHE A N 504 ATOM 2031 C CA . PHE A 504 251 . -9.706 24.574 -10.170 1.00 22.85 ? ? ? ? ? . 251 PHE A CA 504 ATOM 2032 C CB . PHE A 504 251 . -8.738 23.581 -10.748 1.00 21.75 ? ? ? ? ? . 251 PHE A CB 504 ATOM 2033 C CG . PHE A 504 251 . -7.309 23.874 -10.449 1.00 18.69 ? ? ? ? ? . 251 PHE A CG 504 ATOM 2034 C CD1 . PHE A 504 251 . -6.612 24.791 -11.182 1.00 14.91 ? ? ? ? ? . 251 PHE A CD1 504 ATOM 2035 C CE1 . PHE A 504 251 . -5.256 25.075 -10.894 1.00 15.40 ? ? ? ? ? . 251 PHE A CE1 504 ATOM 2036 C CZ . PHE A 504 251 . -4.578 24.393 -9.901 1.00 13.29 ? ? ? ? ? . 251 PHE A CZ 504 ATOM 2037 C CE2 . PHE A 504 251 . -5.262 23.451 -9.173 1.00 17.53 ? ? ? ? ? . 251 PHE A CE2 504 ATOM 2038 C CD2 . PHE A 504 251 . -6.651 23.199 -9.456 1.00 18.30 ? ? ? ? ? . 251 PHE A CD2 504 ATOM 2039 C C . PHE A 504 251 . -11.077 24.268 -10.743 1.00 23.96 ? ? ? ? ? . 251 PHE A C 504 ATOM 2040 O O . PHE A 504 251 . -11.692 23.240 -10.411 1.00 24.93 ? ? ? ? ? . 251 PHE A O 504 ATOM 2041 N N . ASP A 504 252 . -11.581 25.144 -11.607 1.00 24.42 ? ? ? ? ? . 252 ASP A N 504 ATOM 2042 C CA . ASP A 504 252 . -12.864 24.875 -12.219 1.00 24.63 ? ? ? ? ? . 252 ASP A CA 504 ATOM 2043 C CB . ASP A 504 252 . -13.325 26.013 -13.161 1.00 24.74 ? ? ? ? ? . 252 ASP A CB 504 ATOM 2044 C CG . ASP A 504 252 . -12.517 26.104 -14.481 1.00 26.04 ? ? ? ? ? . 252 ASP A CG 504 ATOM 2045 O OD1 . ASP A 504 252 . -11.731 25.187 -14.800 1.00 26.20 ? ? ? ? ? . 252 ASP A OD1 504 ATOM 2046 O OD2 . ASP A 504 252 . -12.665 27.121 -15.211 1.00 26.71 ? ? ? ? ? . 252 ASP A OD2 504 ATOM 2047 C C . ASP A 504 252 . -12.823 23.518 -12.938 1.00 24.99 ? ? ? ? ? . 252 ASP A C 504 ATOM 2048 O O . ASP A 504 252 . -11.738 22.951 -13.244 1.00 24.41 ? ? ? ? ? . 252 ASP A O 504 ATOM 2049 N N . VAL A 504 253 . -14.017 23.017 -13.219 1.00 25.35 ? ? ? ? ? . 253 VAL A N 504 ATOM 2050 C CA . VAL A 504 253 . -14.173 21.770 -13.922 1.00 25.50 ? ? ? ? ? . 253 VAL A CA 504 ATOM 2051 C CB . VAL A 504 253 . -15.658 21.465 -14.144 1.00 25.25 ? ? ? ? ? . 253 VAL A CB 504 ATOM 2052 C CG1 . VAL A 504 253 . -16.164 22.046 -15.455 1.00 23.73 ? ? ? ? ? . 253 VAL A CG1 504 ATOM 2053 C CG2 . VAL A 504 253 . -15.881 19.964 -14.075 1.00 26.77 ? ? ? ? ? . 253 VAL A CG2 504 ATOM 2054 C C . VAL A 504 253 . -13.352 21.689 -15.221 1.00 26.04 ? ? ? ? ? . 253 VAL A C 504 ATOM 2055 O O . VAL A 504 253 . -13.020 20.596 -15.655 1.00 26.09 ? ? ? ? ? . 253 VAL A O 504 ATOM 2056 N N . GLU A 504 254 . -13.022 22.837 -15.821 1.00 26.99 ? ? ? ? ? . 254 GLU A N 504 ATOM 2057 C CA . GLU A 504 254 . -12.170 22.885 -17.023 1.00 27.83 ? ? ? ? ? . 254 GLU A CA 504 ATOM 2058 C CB . GLU A 504 254 . -12.718 23.885 -18.040 1.00 28.80 ? ? ? ? ? . 254 GLU A CB 504 ATOM 2059 C CG . GLU A 504 254 . -14.199 23.692 -18.442 1.00 33.43 ? ? ? ? ? . 254 GLU A CG 504 ATOM 2060 C CD . GLU A 504 254 . -14.396 22.723 -19.628 1.00 40.35 ? ? ? ? ? . 254 GLU A CD 504 ATOM 2061 O OE1 . GLU A 504 254 . -13.420 22.047 -20.051 1.00 43.05 ? ? ? ? ? . 254 GLU A OE1 504 ATOM 2062 O OE2 . GLU A 504 254 . -15.542 22.625 -20.134 1.00 43.17 ? ? ? ? ? . 254 GLU A OE2 504 ATOM 2063 C C . GLU A 504 254 . -10.691 23.190 -16.707 1.00 27.15 ? ? ? ? ? . 254 GLU A C 504 ATOM 2064 O O . GLU A 504 254 . -9.907 23.497 -17.603 1.00 27.12 ? ? ? ? ? . 254 GLU A O 504 ATOM 2065 N N . GLY A 504 255 . -10.318 23.107 -15.429 1.00 26.54 ? ? ? ? ? . 255 GLY A N 504 ATOM 2066 C CA . GLY A 504 255 . -8.919 23.122 -15.053 1.00 25.77 ? ? ? ? ? . 255 GLY A CA 504 ATOM 2067 C C . GLY A 504 255 . -8.331 24.480 -14.727 1.00 25.43 ? ? ? ? ? . 255 GLY A C 504 ATOM 2068 O O . GLY A 504 255 . -7.231 24.560 -14.167 1.00 26.14 ? ? ? ? ? . 255 GLY A O 504 ATOM 2069 N N . ALA A 504 256 . -9.041 25.547 -15.069 1.00 24.33 ? ? ? ? ? . 256 ALA A N 504 ATOM 2070 C CA . ALA A 504 256 . -8.541 26.889 -14.824 1.00 23.38 ? ? ? ? ? . 256 ALA A CA 504 ATOM 2071 C CB . ALA A 504 256 . -9.324 27.894 -15.617 1.00 23.20 ? ? ? ? ? . 256 ALA A CB 504 ATOM 2072 C C . ALA A 504 256 . -8.669 27.171 -13.333 1.00 23.11 ? ? ? ? ? . 256 ALA A C 504 ATOM 2073 O O . ALA A 504 256 . -9.733 26.950 -12.735 1.00 22.54 ? ? ? ? ? . 256 ALA A O 504 ATOM 2074 N N . MET A 504 257 . -7.570 27.632 -12.742 1.00 22.64 ? ? ? ? ? . 257 MET A N 504 ATOM 2075 C CA . MET A 504 257 . -7.549 28.014 -11.340 1.00 22.82 ? ? ? ? ? . 257 MET A CA 504 ATOM 2076 C CB . MET A 504 257 . -6.149 28.410 -10.930 1.00 22.83 ? ? ? ? ? . 257 MET A CB 504 ATOM 2077 C CG . MET A 504 257 . -5.968 28.709 -9.475 1.00 23.97 ? ? ? ? ? . 257 MET A CG 504 ATOM 2078 S SD . MET A 504 257 . -4.565 29.839 -9.268 1.00 27.05 ? ? ? ? ? . 257 MET A SD 504 ATOM 2079 C CE . MET A 504 257 . -5.382 31.439 -9.448 1.00 26.57 ? ? ? ? ? . 257 MET A CE 504 ATOM 2080 C C . MET A 504 257 . -8.495 29.170 -11.122 1.00 23.54 ? ? ? ? ? . 257 MET A C 504 ATOM 2081 O O . MET A 504 257 . -8.557 30.120 -11.958 1.00 23.43 ? ? ? ? ? . 257 MET A O 504 ATOM 2082 N N . LYS A 504 258 . -9.248 29.074 -10.023 1.00 23.68 ? ? ? ? ? . 258 LYS A N 504 ATOM 2083 C CA . LYS A 504 258 . -10.211 30.087 -9.649 1.00 24.04 ? ? ? ? ? . 258 LYS A CA 504 ATOM 2084 C CB . LYS A 504 258 . -11.539 29.443 -9.229 1.00 24.74 ? ? ? ? ? . 258 LYS A CB 504 ATOM 2085 C CG . LYS A 504 258 . -12.498 29.141 -10.379 1.00 26.89 ? ? ? ? ? . 258 LYS A CG 504 ATOM 2086 C CD . LYS A 504 258 . -13.949 28.881 -9.891 1.00 30.09 ? ? ? ? ? . 258 LYS A CD 504 ATOM 2087 C CE . LYS A 504 258 . -14.800 30.165 -9.868 1.00 33.08 ? ? ? ? ? . 258 LYS A CE 504 ATOM 2088 N NZ . LYS A 504 258 . -16.256 29.906 -10.120 1.00 32.66 ? ? ? ? ? . 258 LYS A NZ 504 ATOM 2089 C C . LYS A 504 258 . -9.648 30.955 -8.528 1.00 23.82 ? ? ? ? ? . 258 LYS A C 504 ATOM 2090 O O . LYS A 504 258 . -8.899 30.473 -7.689 1.00 23.41 ? ? ? ? ? . 258 LYS A O 504 ATOM 2091 N N . THR A 504 259 . -10.006 32.239 -8.549 1.00 23.76 ? ? ? ? ? . 259 THR A N 504 ATOM 2092 C CA . THR A 504 259 . -9.759 33.182 -7.459 1.00 24.22 ? ? ? ? ? . 259 THR A CA 504 ATOM 2093 C CB . THR A 504 259 . -9.063 34.444 -7.954 1.00 24.37 ? ? ? ? ? . 259 THR A CB 504 ATOM 2094 O OG1 . THR A 504 259 . -9.873 35.091 -8.951 1.00 24.76 ? ? ? ? ? . 259 THR A OG1 504 ATOM 2095 C CG2 . THR A 504 259 . -7.692 34.131 -8.573 1.00 25.73 ? ? ? ? ? . 259 THR A CG2 504 ATOM 2096 C C . THR A 504 259 . -11.116 33.584 -6.846 1.00 24.80 ? ? ? ? ? . 259 THR A C 504 ATOM 2097 O O . THR A 504 259 . -12.191 33.313 -7.425 1.00 25.01 ? ? ? ? ? . 259 THR A O 504 ATOM 2098 N N . GLY A 504 260 . -11.090 34.201 -5.672 1.00 24.66 ? ? ? ? ? . 260 GLY A N 504 ATOM 2099 C CA . GLY A 504 260 . -12.334 34.671 -5.074 1.00 25.65 ? ? ? ? ? . 260 GLY A CA 504 ATOM 2100 C C . GLY A 504 260 . -13.154 33.606 -4.363 1.00 26.22 ? ? ? ? ? . 260 GLY A C 504 ATOM 2101 O O . GLY A 504 260 . -12.624 32.591 -3.910 1.00 25.96 ? ? ? ? ? . 260 GLY A O 504 ATOM 2102 N N . TRP A 504 261 . -14.459 33.845 -4.265 1.00 26.78 ? ? ? ? ? . 261 TRP A N 504 ATOM 2103 C CA . TRP A 504 261 . -15.354 32.947 -3.522 1.00 27.07 ? ? ? ? ? . 261 TRP A CA 504 ATOM 2104 C CB . TRP A 504 261 . -16.662 33.663 -3.188 1.00 26.05 ? ? ? ? ? . 261 TRP A CB 504 ATOM 2105 C CG . TRP A 504 261 . -16.428 34.780 -2.240 1.00 24.40 ? ? ? ? ? . 261 TRP A CG 504 ATOM 2106 C CD1 . TRP A 504 261 . -16.326 36.109 -2.542 1.00 21.42 ? ? ? ? ? . 261 TRP A CD1 504 ATOM 2107 N NE1 . TRP A 504 261 . -16.091 36.835 -1.396 1.00 19.78 ? ? ? ? ? . 261 TRP A NE1 504 ATOM 2108 C CE2 . TRP A 504 261 . -16.009 35.983 -0.326 1.00 21.34 ? ? ? ? ? . 261 TRP A CE2 504 ATOM 2109 C CD2 . TRP A 504 261 . -16.220 34.670 -0.817 1.00 22.24 ? ? ? ? ? . 261 TRP A CD2 504 ATOM 2110 C CE3 . TRP A 504 261 . -16.188 33.592 0.081 1.00 19.49 ? ? ? ? ? . 261 TRP A CE3 504 ATOM 2111 C CZ3 . TRP A 504 261 . -15.939 33.850 1.431 1.00 19.39 ? ? ? ? ? . 261 TRP A CZ3 504 ATOM 2112 C CH2 . TRP A 504 261 . -15.724 35.168 1.894 1.00 19.44 ? ? ? ? ? . 261 TRP A CH2 504 ATOM 2113 C CZ2 . TRP A 504 261 . -15.745 36.247 1.029 1.00 20.03 ? ? ? ? ? . 261 TRP A CZ2 504 ATOM 2114 C C . TRP A 504 261 . -15.625 31.700 -4.345 1.00 28.32 ? ? ? ? ? . 261 TRP A C 504 ATOM 2115 O O . TRP A 504 261 . -15.745 31.811 -5.587 1.00 29.15 ? ? ? ? ? . 261 TRP A O 504 ATOM 2116 N N . VAL A 504 262 . -15.638 30.533 -3.672 1.00 28.68 ? ? ? ? ? . 262 VAL A N 504 ATOM 2117 C CA . VAL A 504 262 . -16.207 29.280 -4.218 1.00 28.65 ? ? ? ? ? . 262 VAL A CA 504 ATOM 2118 C CB . VAL A 504 262 . -15.153 28.255 -4.711 1.00 28.78 ? ? ? ? ? . 262 VAL A CB 504 ATOM 2119 C CG1 . VAL A 504 262 . -14.235 28.862 -5.779 1.00 28.05 ? ? ? ? ? . 262 VAL A CG1 504 ATOM 2120 C CG2 . VAL A 504 262 . -14.379 27.675 -3.540 1.00 29.16 ? ? ? ? ? . 262 VAL A CG2 504 ATOM 2121 C C . VAL A 504 262 . -17.117 28.549 -3.235 1.00 28.71 ? ? ? ? ? . 262 VAL A C 504 ATOM 2122 O O . VAL A 504 262 . -16.913 28.592 -2.021 1.00 28.72 ? ? ? ? ? . 262 VAL A O 504 ATOM 2123 N N . LYS A 504 263 . -18.119 27.878 -3.791 1.00 29.05 ? ? ? ? ? . 263 LYS A N 504 ATOM 2124 C CA . LYS A 504 263 . -19.025 27.021 -3.045 1.00 29.44 ? ? ? ? ? . 263 LYS A CA 504 ATOM 2125 C CB . LYS A 504 263 . -20.364 26.956 -3.788 1.00 29.82 ? ? ? ? ? . 263 LYS A CB 504 ATOM 2126 C CG . LYS A 504 263 . -21.557 26.518 -2.943 1.00 31.85 ? ? ? ? ? . 263 LYS A CG 504 ATOM 2127 C CD . LYS A 504 263 . -21.595 27.220 -1.605 1.00 33.81 ? ? ? ? ? . 263 LYS A CD 504 ATOM 2128 C CE . LYS A 504 263 . -22.696 26.681 -0.743 1.00 36.12 ? ? ? ? ? . 263 LYS A CE 504 ATOM 2129 N NZ . LYS A 504 263 . -22.231 26.640 0.672 1.00 37.27 ? ? ? ? ? . 263 LYS A NZ 504 ATOM 2130 C C . LYS A 504 263 . -18.459 25.608 -2.916 1.00 28.96 ? ? ? ? ? . 263 LYS A C 504 ATOM 2131 O O . LYS A 504 263 . -18.262 24.925 -3.903 1.00 28.58 ? ? ? ? ? . 263 LYS A O 504 ATOM 2132 N N . TYR A 504 264 . -18.209 25.161 -1.704 1.00 28.79 ? ? ? ? ? . 264 TYR A N 504 ATOM 2133 C CA . TYR A 504 264 . -17.867 23.785 -1.540 1.00 29.53 ? ? ? ? ? . 264 TYR A CA 504 ATOM 2134 C CB . TYR A 504 264 . -16.391 23.621 -1.157 1.00 30.06 ? ? ? ? ? . 264 TYR A CB 504 ATOM 2135 C CG . TYR A 504 264 . -16.010 22.219 -0.735 1.00 30.95 ? ? ? ? ? . 264 TYR A CG 504 ATOM 2136 C CD1 . TYR A 504 264 . -15.607 21.252 -1.681 1.00 33.27 ? ? ? ? ? . 264 TYR A CD1 504 ATOM 2137 C CE1 . TYR A 504 264 . -15.252 19.931 -1.264 1.00 33.87 ? ? ? ? ? . 264 TYR A CE1 504 ATOM 2138 C CZ . TYR A 504 264 . -15.314 19.618 0.103 1.00 34.13 ? ? ? ? ? . 264 TYR A CZ 504 ATOM 2139 O OH . TYR A 504 264 . -14.995 18.368 0.558 1.00 35.66 ? ? ? ? ? . 264 TYR A OH 504 ATOM 2140 C CE2 . TYR A 504 264 . -15.710 20.566 1.040 1.00 33.18 ? ? ? ? ? . 264 TYR A CE2 504 ATOM 2141 C CD2 . TYR A 504 264 . -16.057 21.849 0.618 1.00 32.42 ? ? ? ? ? . 264 TYR A CD2 504 ATOM 2142 C C . TYR A 504 264 . -18.786 23.162 -0.511 1.00 29.86 ? ? ? ? ? . 264 TYR A C 504 ATOM 2143 O O . TYR A 504 264 . -18.700 23.459 0.678 1.00 30.40 ? ? ? ? ? . 264 TYR A O 504 ATOM 2144 N N . LYS A 504 265 . -19.662 22.281 -0.977 1.00 30.13 ? ? ? ? ? . 265 LYS A N 504 ATOM 2145 C CA . LYS A 504 265 . -20.621 21.608 -0.112 1.00 30.01 ? ? ? ? ? . 265 LYS A CA 504 ATOM 2146 C CB . LYS A 504 265 . -19.920 20.678 0.871 1.00 30.06 ? ? ? ? ? . 265 LYS A CB 504 ATOM 2147 C CG . LYS A 504 265 . -19.476 19.377 0.196 1.00 29.99 ? ? ? ? ? . 265 LYS A CG 504 ATOM 2148 C CD . LYS A 504 265 . -18.590 18.532 1.072 1.00 28.81 ? ? ? ? ? . 265 LYS A CD 504 ATOM 2149 C CE . LYS A 504 265 . -18.538 17.144 0.548 1.00 28.54 ? ? ? ? ? . 265 LYS A CE 504 ATOM 2150 N NZ . LYS A 504 265 . -18.235 17.194 -0.906 1.00 31.71 ? ? ? ? ? . 265 LYS A NZ 504 ATOM 2151 C C . LYS A 504 265 . -21.552 22.572 0.603 1.00 30.31 ? ? ? ? ? . 265 LYS A C 504 ATOM 2152 O O . LYS A 504 265 . -22.284 23.329 -0.066 1.00 30.20 ? ? ? ? ? . 265 LYS A O 504 ATOM 2153 N N . ASP A 504 266 . -21.538 22.536 1.940 1.00 30.23 ? ? ? ? ? . 266 ASP A N 504 ATOM 2154 C CA . ASP A 504 266 . -22.465 23.350 2.740 1.00 30.35 ? ? ? ? ? . 266 ASP A CA 504 ATOM 2155 C CB . ASP A 504 266 . -22.863 22.628 4.031 1.00 30.38 ? ? ? ? ? . 266 ASP A CB 504 ATOM 2156 C CG . ASP A 504 266 . -21.827 22.780 5.126 1.00 32.54 ? ? ? ? ? . 266 ASP A CG 504 ATOM 2157 O OD1 . ASP A 504 266 . -20.657 22.374 4.917 1.00 32.81 ? ? ? ? ? . 266 ASP A OD1 504 ATOM 2158 O OD2 . ASP A 504 266 . -22.186 23.312 6.205 1.00 35.88 ? ? ? ? ? . 266 ASP A OD2 504 ATOM 2159 C C . ASP A 504 266 . -21.913 24.754 3.052 1.00 30.05 ? ? ? ? ? . 266 ASP A C 504 ATOM 2160 O O . ASP A 504 266 . -22.588 25.592 3.667 1.00 30.05 ? ? ? ? ? . 266 ASP A O 504 ATOM 2161 N N . THR A 504 267 . -20.694 25.023 2.600 1.00 29.54 ? ? ? ? ? . 267 THR A N 504 ATOM 2162 C CA . THR A 504 267 . -20.021 26.240 3.007 1.00 28.34 ? ? ? ? ? . 267 THR A CA 504 ATOM 2163 C CB . THR A 504 267 . -19.114 25.924 4.134 1.00 28.45 ? ? ? ? ? . 267 THR A CB 504 ATOM 2164 O OG1 . THR A 504 267 . -18.573 27.144 4.607 1.00 31.71 ? ? ? ? ? . 267 THR A OG1 504 ATOM 2165 C CG2 . THR A 504 267 . -17.998 24.971 3.682 1.00 27.56 ? ? ? ? ? . 267 THR A CG2 504 ATOM 2166 C C . THR A 504 267 . -19.251 26.946 1.892 1.00 27.52 ? ? ? ? ? . 267 THR A C 504 ATOM 2167 O O . THR A 504 267 . -19.295 26.542 0.716 1.00 27.80 ? ? ? ? ? . 267 THR A O 504 ATOM 2168 N N . TRP A 504 268 . -18.565 28.023 2.262 1.00 26.34 ? ? ? ? ? . 268 TRP A N 504 ATOM 2169 C CA . TRP A 504 268 . -17.827 28.851 1.301 1.00 24.96 ? ? ? ? ? . 268 TRP A CA 504 ATOM 2170 C CB . TRP A 504 268 . -18.377 30.269 1.280 1.00 24.86 ? ? ? ? ? . 268 TRP A CB 504 ATOM 2171 C CG . TRP A 504 268 . -19.732 30.408 0.658 1.00 23.14 ? ? ? ? ? . 268 TRP A CG 504 ATOM 2172 C CD1 . TRP A 504 268 . -20.944 30.359 1.296 1.00 23.43 ? ? ? ? ? . 268 TRP A CD1 504 ATOM 2173 N NE1 . TRP A 504 268 . -21.960 30.539 0.383 1.00 22.31 ? ? ? ? ? . 268 TRP A NE1 504 ATOM 2174 C CE2 . TRP A 504 268 . -21.411 30.737 -0.855 1.00 21.08 ? ? ? ? ? . 268 TRP A CE2 504 ATOM 2175 C CD2 . TRP A 504 268 . -20.009 30.658 -0.717 1.00 20.84 ? ? ? ? ? . 268 TRP A CD2 504 ATOM 2176 C CE3 . TRP A 504 268 . -19.211 30.814 -1.846 1.00 20.62 ? ? ? ? ? . 268 TRP A CE3 504 ATOM 2177 C CZ3 . TRP A 504 268 . -19.820 31.037 -3.067 1.00 22.72 ? ? ? ? ? . 268 TRP A CZ3 504 ATOM 2178 C CH2 . TRP A 504 268 . -21.222 31.105 -3.177 1.00 21.75 ? ? ? ? ? . 268 TRP A CH2 504 ATOM 2179 C CZ2 . TRP A 504 268 . -22.027 30.957 -2.079 1.00 20.97 ? ? ? ? ? . 268 TRP A CZ2 504 ATOM 2180 C C . TRP A 504 268 . -16.368 28.947 1.667 1.00 24.48 ? ? ? ? ? . 268 TRP A C 504 ATOM 2181 O O . TRP A 504 268 . -16.018 28.903 2.855 1.00 23.70 ? ? ? ? ? . 268 TRP A O 504 ATOM 2182 N N . TYR A 504 269 . -15.533 29.105 0.636 1.00 24.01 ? ? ? ? ? . 269 TYR A N 504 ATOM 2183 C CA . TYR A 504 269 . -14.099 29.311 0.792 1.00 23.41 ? ? ? ? ? . 269 TYR A CA 504 ATOM 2184 C CB . TYR A 504 269 . -13.339 28.097 0.280 1.00 23.81 ? ? ? ? ? . 269 TYR A CB 504 ATOM 2185 C CG . TYR A 504 269 . -13.399 26.901 1.199 1.00 24.37 ? ? ? ? ? . 269 TYR A CG 504 ATOM 2186 C CD1 . TYR A 504 269 . -12.425 26.698 2.162 1.00 23.55 ? ? ? ? ? . 269 TYR A CD1 504 ATOM 2187 C CE1 . TYR A 504 269 . -12.473 25.612 2.994 1.00 25.16 ? ? ? ? ? . 269 TYR A CE1 504 ATOM 2188 C CZ . TYR A 504 269 . -13.511 24.697 2.885 1.00 26.84 ? ? ? ? ? . 269 TYR A CZ 504 ATOM 2189 O OH . TYR A 504 269 . -13.567 23.595 3.733 1.00 29.89 ? ? ? ? ? . 269 TYR A OH 504 ATOM 2190 C CE2 . TYR A 504 269 . -14.491 24.872 1.935 1.00 26.70 ? ? ? ? ? . 269 TYR A CE2 504 ATOM 2191 C CD2 . TYR A 504 269 . -14.425 25.969 1.090 1.00 25.32 ? ? ? ? ? . 269 TYR A CD2 504 ATOM 2192 C C . TYR A 504 269 . -13.676 30.515 -0.021 1.00 23.62 ? ? ? ? ? . 269 TYR A C 504 ATOM 2193 O O . TYR A 504 269 . -14.342 30.878 -1.015 1.00 23.55 ? ? ? ? ? . 269 TYR A O 504 ATOM 2194 N N . TYR A 504 270 . -12.574 31.144 0.386 1.00 23.30 ? ? ? ? ? . 270 TYR A N 504 ATOM 2195 C CA . TYR A 504 270 . -12.079 32.270 -0.369 1.00 23.23 ? ? ? ? ? . 270 TYR A CA 504 ATOM 2196 C CB . TYR A 504 270 . -12.309 33.596 0.384 1.00 22.36 ? ? ? ? ? . 270 TYR A CB 504 ATOM 2197 C CG . TYR A 504 270 . -11.907 34.819 -0.425 1.00 23.55 ? ? ? ? ? . 270 TYR A CG 504 ATOM 2198 C CD1 . TYR A 504 270 . -12.803 35.451 -1.303 1.00 23.74 ? ? ? ? ? . 270 TYR A CD1 504 ATOM 2199 C CE1 . TYR A 504 270 . -12.409 36.553 -2.059 1.00 20.93 ? ? ? ? ? . 270 TYR A CE1 504 ATOM 2200 C CZ . TYR A 504 270 . -11.102 37.016 -1.952 1.00 21.75 ? ? ? ? ? . 270 TYR A CZ 504 ATOM 2201 O OH . TYR A 504 270 . -10.615 38.084 -2.676 1.00 20.74 ? ? ? ? ? . 270 TYR A OH 504 ATOM 2202 C CE2 . TYR A 504 270 . -10.226 36.396 -1.107 1.00 21.81 ? ? ? ? ? . 270 TYR A CE2 504 ATOM 2203 C CD2 . TYR A 504 270 . -10.620 35.321 -0.347 1.00 21.82 ? ? ? ? ? . 270 TYR A CD2 504 ATOM 2204 C C . TYR A 504 270 . -10.621 32.030 -0.814 1.00 23.98 ? ? ? ? ? . 270 TYR A C 504 ATOM 2205 O O . TYR A 504 270 . -9.782 31.548 -0.048 1.00 24.41 ? ? ? ? ? . 270 TYR A O 504 ATOM 2206 N N . LEU A 504 271 . -10.337 32.356 -2.070 1.00 24.47 ? ? ? ? ? . 271 LEU A N 504 ATOM 2207 C CA . LEU A 504 271 . -9.046 32.078 -2.702 1.00 24.62 ? ? ? ? ? . 271 LEU A CA 504 ATOM 2208 C CB . LEU A 504 271 . -9.280 31.182 -3.912 1.00 23.59 ? ? ? ? ? . 271 LEU A CB 504 ATOM 2209 C CG . LEU A 504 271 . -9.759 29.817 -3.434 1.00 22.78 ? ? ? ? ? . 271 LEU A CG 504 ATOM 2210 C CD1 . LEU A 504 271 . -11.130 29.473 -3.962 1.00 22.91 ? ? ? ? ? . 271 LEU A CD1 504 ATOM 2211 C CD2 . LEU A 504 271 . -8.754 28.800 -3.822 1.00 22.83 ? ? ? ? ? . 271 LEU A CD2 504 ATOM 2212 C C . LEU A 504 271 . -8.440 33.397 -3.126 1.00 25.82 ? ? ? ? ? . 271 LEU A C 504 ATOM 2213 O O . LEU A 504 271 . -9.090 34.156 -3.836 1.00 26.79 ? ? ? ? ? . 271 LEU A O 504 ATOM 2214 N N . ASP A 504 272 . -7.229 33.690 -2.661 1.00 26.95 ? ? ? ? ? . 272 ASP A N 504 ATOM 2215 C CA . ASP A 504 272 . -6.579 34.967 -2.890 1.00 28.26 ? ? ? ? ? . 272 ASP A CA 504 ATOM 2216 C CB . ASP A 504 272 . -5.084 34.814 -2.636 1.00 28.45 ? ? ? ? ? . 272 ASP A CB 504 ATOM 2217 C CG . ASP A 504 272 . -4.371 36.136 -2.539 1.00 29.88 ? ? ? ? ? . 272 ASP A CG 504 ATOM 2218 O OD1 . ASP A 504 272 . -4.795 36.972 -1.724 1.00 31.84 ? ? ? ? ? . 272 ASP A OD1 504 ATOM 2219 O OD2 . ASP A 504 272 . -3.376 36.343 -3.267 1.00 32.45 ? ? ? ? ? . 272 ASP A OD2 504 ATOM 2220 C C . ASP A 504 272 . -6.811 35.375 -4.330 1.00 29.47 ? ? ? ? ? . 272 ASP A C 504 ATOM 2221 O O . ASP A 504 272 . -6.918 34.507 -5.215 1.00 30.51 ? ? ? ? ? . 272 ASP A O 504 ATOM 2222 N N . ALA A 504 273 . -6.904 36.672 -4.598 1.00 30.13 ? ? ? ? ? . 273 ALA A N 504 ATOM 2223 C CA . ALA A 504 273 . -7.133 37.082 -5.969 1.00 30.98 ? ? ? ? ? . 273 ALA A CA 504 ATOM 2224 C CB . ALA A 504 273 . -7.834 38.439 -6.053 1.00 30.86 ? ? ? ? ? . 273 ALA A CB 504 ATOM 2225 C C . ALA A 504 273 . -5.787 37.139 -6.611 1.00 31.72 ? ? ? ? ? . 273 ALA A C 504 ATOM 2226 O O . ALA A 504 273 . -5.683 37.147 -7.825 1.00 32.57 ? ? ? ? ? . 273 ALA A O 504 ATOM 2227 N N . LYS A 504 274 . -4.751 37.140 -5.787 1.00 32.63 ? ? ? ? ? . 274 LYS A N 504 ATOM 2228 C CA . LYS A 504 274 . -3.400 37.378 -6.273 1.00 34.22 ? ? ? ? ? . 274 LYS A CA 504 ATOM 2229 C CB . LYS A 504 274 . -2.618 38.262 -5.265 1.00 34.75 ? ? ? ? ? . 274 LYS A CB 504 ATOM 2230 C CG . LYS A 504 274 . -1.887 39.479 -5.858 1.00 36.61 ? ? ? ? ? . 274 LYS A CG 504 ATOM 2231 C CD . LYS A 504 274 . -2.863 40.661 -6.151 1.00 41.14 ? ? ? ? ? . 274 LYS A CD 504 ATOM 2232 C CE . LYS A 504 274 . -2.228 42.053 -5.872 1.00 42.42 ? ? ? ? ? . 274 LYS A CE 504 ATOM 2233 N NZ . LYS A 504 274 . -0.750 42.057 -6.218 1.00 44.48 ? ? ? ? ? . 274 LYS A NZ 504 ATOM 2234 C C . LYS A 504 274 . -2.703 36.031 -6.555 1.00 34.58 ? ? ? ? ? . 274 LYS A C 504 ATOM 2235 O O . LYS A 504 274 . -2.609 35.615 -7.717 1.00 34.79 ? ? ? ? ? . 274 LYS A O 504 ATOM 2236 N N . GLU A 504 275 . -2.254 35.336 -5.500 1.00 34.47 ? ? ? ? ? . 275 GLU A N 504 ATOM 2237 C CA . GLU A 504 275 . -1.561 34.065 -5.657 1.00 34.03 ? ? ? ? ? . 275 GLU A CA 504 ATOM 2238 C CB . GLU A 504 275 . -0.588 33.865 -4.513 1.00 34.79 ? ? ? ? ? . 275 GLU A CB 504 ATOM 2239 C CG . GLU A 504 275 . 0.298 35.093 -4.219 1.00 39.35 ? ? ? ? ? . 275 GLU A CG 504 ATOM 2240 C CD . GLU A 504 275 . 1.584 35.198 -5.077 1.00 44.00 ? ? ? ? ? . 275 GLU A CD 504 ATOM 2241 O OE1 . GLU A 504 275 . 2.268 34.160 -5.303 1.00 44.02 ? ? ? ? ? . 275 GLU A OE1 504 ATOM 2242 O OE2 . GLU A 504 275 . 1.920 36.349 -5.483 1.00 45.07 ? ? ? ? ? . 275 GLU A OE2 504 ATOM 2243 C C . GLU A 504 275 . -2.491 32.843 -5.791 1.00 32.88 ? ? ? ? ? . 275 GLU A C 504 ATOM 2244 O O . GLU A 504 275 . -2.031 31.783 -6.191 1.00 33.56 ? ? ? ? ? . 275 GLU A O 504 ATOM 2245 N N . GLY A 504 276 . -3.777 32.959 -5.455 1.00 31.04 ? ? ? ? ? . 276 GLY A N 504 ATOM 2246 C CA . GLY A 504 276 . -4.712 31.874 -5.726 1.00 28.61 ? ? ? ? ? . 276 GLY A CA 504 ATOM 2247 C C . GLY A 504 276 . -4.979 30.934 -4.575 1.00 27.52 ? ? ? ? ? . 276 GLY A C 504 ATOM 2248 O O . GLY A 504 276 . -6.042 30.305 -4.485 1.00 27.41 ? ? ? ? ? . 276 GLY A O 504 ATOM 2249 N N . ALA A 504 277 . -4.015 30.812 -3.682 1.00 26.22 ? ? ? ? ? . 277 ALA A N 504 ATOM 2250 C CA . ALA A 504 277 . -4.161 29.891 -2.574 1.00 25.09 ? ? ? ? ? . 277 ALA A CA 504 ATOM 2251 C CB . ALA A 504 277 . -2.885 29.819 -1.773 1.00 24.73 ? ? ? ? ? . 277 ALA A CB 504 ATOM 2252 C C . ALA A 504 277 . -5.348 30.256 -1.682 1.00 24.65 ? ? ? ? ? . 277 ALA A C 504 ATOM 2253 O O . ALA A 504 277 . -5.702 31.435 -1.533 1.00 25.05 ? ? ? ? ? . 277 ALA A O 504 ATOM 2254 N N . MET A 504 278 . -5.952 29.240 -1.088 1.00 23.79 ? ? ? ? ? . 278 MET A N 504 ATOM 2255 C CA . MET A 504 278 . -7.006 29.419 -0.105 1.00 23.48 ? ? ? ? ? . 278 MET A CA 504 ATOM 2256 C CB . MET A 504 278 . -7.370 28.060 0.499 1.00 23.36 ? ? ? ? ? . 278 MET A CB 504 ATOM 2257 C CG . MET A 504 278 . -8.503 28.133 1.468 1.00 23.35 ? ? ? ? ? . 278 MET A CG 504 ATOM 2258 S SD . MET A 504 278 . -8.817 26.630 2.358 1.00 23.44 ? ? ? ? ? . 278 MET A SD 504 ATOM 2259 C CE . MET A 504 278 . -7.322 26.453 3.341 1.00 25.21 ? ? ? ? ? . 278 MET A CE 504 ATOM 2260 C C . MET A 504 278 . -6.570 30.364 1.014 1.00 23.27 ? ? ? ? ? . 278 MET A C 504 ATOM 2261 O O . MET A 504 278 . -5.492 30.220 1.545 1.00 24.22 ? ? ? ? ? . 278 MET A O 504 ATOM 2262 N N . VAL A 504 279 . -7.407 31.318 1.376 1.00 22.77 ? ? ? ? ? . 279 VAL A N 504 ATOM 2263 C CA . VAL A 504 279 . -7.145 32.198 2.514 1.00 21.98 ? ? ? ? ? . 279 VAL A CA 504 ATOM 2264 C CB . VAL A 504 279 . -7.757 33.599 2.307 1.00 21.59 ? ? ? ? ? . 279 VAL A CB 504 ATOM 2265 C CG1 . VAL A 504 279 . -7.353 34.519 3.440 1.00 21.15 ? ? ? ? ? . 279 VAL A CG1 504 ATOM 2266 C CG2 . VAL A 504 279 . -7.350 34.196 0.945 1.00 20.45 ? ? ? ? ? . 279 VAL A CG2 504 ATOM 2267 C C . VAL A 504 279 . -7.790 31.579 3.752 1.00 22.36 ? ? ? ? ? . 279 VAL A C 504 ATOM 2268 O O . VAL A 504 279 . -8.867 30.972 3.643 1.00 22.77 ? ? ? ? ? . 279 VAL A O 504 ATOM 2269 N N . SER A 504 280 . -7.150 31.718 4.922 1.00 21.78 ? ? ? ? ? . 280 SER A N 504 ATOM 2270 C CA . SER A 504 280 . -7.789 31.295 6.169 1.00 21.65 ? ? ? ? ? . 280 SER A CA 504 ATOM 2271 C CB . SER A 504 280 . -7.411 29.872 6.539 1.00 21.07 ? ? ? ? ? . 280 SER A CB 504 ATOM 2272 O OG . SER A 504 280 . -6.031 29.680 6.382 1.00 20.99 ? ? ? ? ? . 280 SER A OG 504 ATOM 2273 C C . SER A 504 280 . -7.385 32.212 7.276 1.00 22.06 ? ? ? ? ? . 280 SER A C 504 ATOM 2274 O O . SER A 504 280 . -6.353 32.858 7.178 1.00 23.23 ? ? ? ? ? . 280 SER A O 504 ATOM 2275 N N . ASN A 504 281 . -8.192 32.239 8.331 1.00 22.02 ? ? ? ? ? . 281 ASN A N 504 ATOM 2276 C CA . ASN A 504 281 . -8.014 33.130 9.456 1.00 22.46 ? ? ? ? ? . 281 ASN A CA 504 ATOM 2277 C CB . ASN A 504 281 . -6.910 32.675 10.385 1.00 22.29 ? ? ? ? ? . 281 ASN A CB 504 ATOM 2278 C CG . ASN A 504 281 . -6.861 33.507 11.660 1.00 23.26 ? ? ? ? ? . 281 ASN A CG 504 ATOM 2279 O OD1 . ASN A 504 281 . -7.925 33.905 12.215 1.00 18.63 ? ? ? ? ? . 281 ASN A OD1 504 ATOM 2280 N ND2 . ASN A 504 281 . -5.616 33.786 12.139 1.00 21.27 ? ? ? ? ? . 281 ASN A ND2 504 ATOM 2281 C C . ASN A 504 281 . -7.765 34.560 9.037 1.00 22.87 ? ? ? ? ? . 281 ASN A C 504 ATOM 2282 O O . ASN A 504 281 . -6.642 35.100 9.188 1.00 22.35 ? ? ? ? ? . 281 ASN A O 504 ATOM 2283 N N . ALA A 504 282 . -8.833 35.179 8.526 1.00 22.78 ? ? ? ? ? . 282 ALA A N 504 ATOM 2284 C CA . ALA A 504 282 . -8.704 36.484 7.905 1.00 22.44 ? ? ? ? ? . 282 ALA A CA 504 ATOM 2285 C CB . ALA A 504 282 . -7.967 36.363 6.562 1.00 22.22 ? ? ? ? ? . 282 ALA A CB 504 ATOM 2286 C C . ALA A 504 282 . -10.053 37.116 7.700 1.00 22.33 ? ? ? ? ? . 282 ALA A C 504 ATOM 2287 O O . ALA A 504 282 . -11.076 36.428 7.688 1.00 22.62 ? ? ? ? ? . 282 ALA A O 504 ATOM 2288 N N . PHE A 504 283 . -10.023 38.438 7.541 1.00 22.28 ? ? ? ? ? . 283 PHE A N 504 ATOM 2289 C CA . PHE A 504 283 . -11.152 39.254 7.104 1.00 21.61 ? ? ? ? ? . 283 PHE A CA 504 ATOM 2290 C CB . PHE A 504 283 . -11.212 40.521 7.932 1.00 20.59 ? ? ? ? ? . 283 PHE A CB 504 ATOM 2291 C CG . PHE A 504 283 . -11.607 40.245 9.338 1.00 19.98 ? ? ? ? ? . 283 PHE A CG 504 ATOM 2292 C CD1 . PHE A 504 283 . -12.953 40.109 9.668 1.00 19.93 ? ? ? ? ? . 283 PHE A CD1 504 ATOM 2293 C CE1 . PHE A 504 283 . -13.338 39.787 10.952 1.00 19.29 ? ? ? ? ? . 283 PHE A CE1 504 ATOM 2294 C CZ . PHE A 504 283 . -12.361 39.579 11.906 1.00 19.81 ? ? ? ? ? . 283 PHE A CZ 504 ATOM 2295 C CE2 . PHE A 504 283 . -11.006 39.676 11.573 1.00 17.36 ? ? ? ? ? . 283 PHE A CE2 504 ATOM 2296 C CD2 . PHE A 504 283 . -10.642 39.993 10.304 1.00 17.06 ? ? ? ? ? . 283 PHE A CD2 504 ATOM 2297 C C . PHE A 504 283 . -11.084 39.563 5.623 1.00 22.13 ? ? ? ? ? . 283 PHE A C 504 ATOM 2298 O O . PHE A 504 283 . -10.055 39.999 5.101 1.00 21.79 ? ? ? ? ? . 283 PHE A O 504 ATOM 2299 N N . ILE A 504 284 . -12.186 39.306 4.931 1.00 22.76 ? ? ? ? ? . 284 ILE A N 504 ATOM 2300 C CA . ILE A 504 284 . -12.218 39.639 3.517 1.00 23.32 ? ? ? ? ? . 284 ILE A CA 504 ATOM 2301 C CB . ILE A 504 284 . -12.385 38.367 2.605 1.00 22.92 ? ? ? ? ? . 284 ILE A CB 504 ATOM 2302 C CG1 . ILE A 504 284 . -11.146 37.456 2.733 1.00 22.47 ? ? ? ? ? . 284 ILE A CG1 504 ATOM 2303 C CD1 . ILE A 504 284 . -9.732 38.164 2.519 1.00 20.28 ? ? ? ? ? . 284 ILE A CD1 504 ATOM 2304 C CG2 . ILE A 504 284 . -12.621 38.750 1.126 1.00 21.44 ? ? ? ? ? . 284 ILE A CG2 504 ATOM 2305 C C . ILE A 504 284 . -13.235 40.741 3.278 1.00 23.70 ? ? ? ? ? . 284 ILE A C 504 ATOM 2306 O O . ILE A 504 284 . -14.374 40.642 3.742 1.00 24.15 ? ? ? ? ? . 284 ILE A O 504 ATOM 2307 N N . GLN A 504 285 . -12.810 41.802 2.599 1.00 24.21 ? ? ? ? ? . 285 GLN A N 504 ATOM 2308 C CA . GLN A 504 285 . -13.719 42.923 2.352 1.00 25.42 ? ? ? ? ? . 285 GLN A CA 504 ATOM 2309 C CB . GLN A 504 285 . -12.960 44.149 1.838 1.00 25.61 ? ? ? ? ? . 285 GLN A CB 504 ATOM 2310 C CG . GLN A 504 285 . -13.814 45.361 1.548 1.00 27.24 ? ? ? ? ? . 285 GLN A CG 504 ATOM 2311 C CD . GLN A 504 285 . -13.047 46.628 1.739 1.00 30.69 ? ? ? ? ? . 285 GLN A CD 504 ATOM 2312 O OE1 . GLN A 504 285 . -12.164 46.958 0.945 1.00 33.42 ? ? ? ? ? . 285 GLN A OE1 504 ATOM 2313 N NE2 . GLN A 504 285 . -13.356 47.352 2.813 1.00 31.59 ? ? ? ? ? . 285 GLN A NE2 504 ATOM 2314 C C . GLN A 504 285 . -14.818 42.477 1.390 1.00 25.34 ? ? ? ? ? . 285 GLN A C 504 ATOM 2315 O O . GLN A 504 285 . -14.536 41.723 0.462 1.00 25.78 ? ? ? ? ? . 285 GLN A O 504 ATOM 2316 N N . SER A 504 286 . -16.057 42.905 1.626 1.00 24.62 ? ? ? ? ? . 286 SER A N 504 ATOM 2317 C CA . SER A 504 286 . -17.148 42.525 0.742 1.00 24.20 ? ? ? ? ? . 286 SER A CA 504 ATOM 2318 C CB . SER A 504 286 . -18.483 42.818 1.411 1.00 23.80 ? ? ? ? ? . 286 SER A CB 504 ATOM 2319 O OG . SER A 504 286 . -18.583 44.194 1.731 1.00 23.02 ? ? ? ? ? . 286 SER A OG 504 ATOM 2320 C C . SER A 504 286 . -17.013 43.254 -0.619 1.00 24.51 ? ? ? ? ? . 286 SER A C 504 ATOM 2321 O O . SER A 504 286 . -16.253 44.209 -0.753 1.00 24.34 ? ? ? ? ? . 286 SER A O 504 ATOM 2322 N N . ALA A 504 287 . -17.743 42.794 -1.632 1.00 25.06 ? ? ? ? ? . 287 ALA A N 504 ATOM 2323 C CA . ALA A 504 287 . -17.604 43.333 -2.986 1.00 25.14 ? ? ? ? ? . 287 ALA A CA 504 ATOM 2324 C CB . ALA A 504 287 . -18.547 42.608 -3.966 1.00 24.84 ? ? ? ? ? . 287 ALA A CB 504 ATOM 2325 C C . ALA A 504 287 . -17.840 44.846 -3.002 1.00 25.20 ? ? ? ? ? . 287 ALA A C 504 ATOM 2326 O O . ALA A 504 287 . -17.027 45.604 -3.541 1.00 25.21 ? ? ? ? ? . 287 ALA A O 504 ATOM 2327 N N . ASP A 504 288 . -18.927 45.278 -2.364 1.00 25.50 ? ? ? ? ? . 288 ASP A N 504 ATOM 2328 C CA . ASP A 504 288 . -19.297 46.702 -2.305 1.00 25.62 ? ? ? ? ? . 288 ASP A CA 504 ATOM 2329 C CB . ASP A 504 288 . -20.802 46.858 -1.996 1.00 25.71 ? ? ? ? ? . 288 ASP A CB 504 ATOM 2330 C CG . ASP A 504 288 . -21.177 46.420 -0.573 1.00 27.03 ? ? ? ? ? . 288 ASP A CG 504 ATOM 2331 O OD1 . ASP A 504 288 . -20.297 45.945 0.180 1.00 29.59 ? ? ? ? ? . 288 ASP A OD1 504 ATOM 2332 O OD2 . ASP A 504 288 . -22.361 46.549 -0.189 1.00 28.64 ? ? ? ? ? . 288 ASP A OD2 504 ATOM 2333 C C . ASP A 504 288 . -18.486 47.486 -1.288 1.00 25.21 ? ? ? ? ? . 288 ASP A C 504 ATOM 2334 O O . ASP A 504 288 . -19.013 48.420 -0.700 1.00 26.03 ? ? ? ? ? . 288 ASP A O 504 ATOM 2335 N N . GLY A 504 289 . -17.234 47.084 -1.066 1.00 24.89 ? ? ? ? ? . 289 GLY A N 504 ATOM 2336 C CA . GLY A 504 289 . -16.338 47.638 -0.023 1.00 24.64 ? ? ? ? ? . 289 GLY A CA 504 ATOM 2337 C C . GLY A 504 289 . -16.915 48.099 1.316 1.00 24.73 ? ? ? ? ? . 289 GLY A C 504 ATOM 2338 O O . GLY A 504 289 . -16.372 49.012 1.919 1.00 25.10 ? ? ? ? ? . 289 GLY A O 504 ATOM 2339 N N . THR A 504 290 . -17.982 47.462 1.787 1.00 24.40 ? ? ? ? ? . 290 THR A N 504 ATOM 2340 C CA . THR A 504 290 . -18.818 47.982 2.865 1.00 25.00 ? ? ? ? ? . 290 THR A CA 504 ATOM 2341 C CB . THR A 504 290 . -20.307 48.040 2.375 1.00 25.48 ? ? ? ? ? . 290 THR A CB 504 ATOM 2342 O OG1 . THR A 504 290 . -20.662 49.395 2.088 1.00 27.16 ? ? ? ? ? . 290 THR A OG1 504 ATOM 2343 C CG2 . THR A 504 290 . -21.305 47.445 3.385 1.00 24.71 ? ? ? ? ? . 290 THR A CG2 504 ATOM 2344 C C . THR A 504 290 . -18.744 47.149 4.153 1.00 24.99 ? ? ? ? ? . 290 THR A C 504 ATOM 2345 O O . THR A 504 290 . -18.891 47.665 5.271 1.00 25.28 ? ? ? ? ? . 290 THR A O 504 ATOM 2346 N N . GLY A 504 291 . -18.567 45.847 3.985 1.00 24.50 ? ? ? ? ? . 291 GLY A N 504 ATOM 2347 C CA . GLY A 504 291 . -18.505 44.950 5.107 1.00 23.66 ? ? ? ? ? . 291 GLY A CA 504 ATOM 2348 C C . GLY A 504 291 . -17.401 43.936 4.944 1.00 23.53 ? ? ? ? ? . 291 GLY A C 504 ATOM 2349 O O . GLY A 504 291 . -16.536 44.039 4.037 1.00 23.16 ? ? ? ? ? . 291 GLY A O 504 ATOM 2350 N N . TRP A 504 292 . -17.462 42.931 5.809 1.00 22.99 ? ? ? ? ? . 292 TRP A N 504 ATOM 2351 C CA . TRP A 504 292 . -16.413 41.933 5.898 1.00 22.75 ? ? ? ? ? . 292 TRP A CA 504 ATOM 2352 C CB . TRP A 504 292 . -15.539 42.251 7.096 1.00 22.98 ? ? ? ? ? . 292 TRP A CB 504 ATOM 2353 C CG . TRP A 504 292 . -14.932 43.600 6.981 1.00 23.64 ? ? ? ? ? . 292 TRP A CG 504 ATOM 2354 C CD1 . TRP A 504 292 . -15.472 44.785 7.399 1.00 21.56 ? ? ? ? ? . 292 TRP A CD1 504 ATOM 2355 N NE1 . TRP A 504 292 . -14.620 45.813 7.109 1.00 22.56 ? ? ? ? ? . 292 TRP A NE1 504 ATOM 2356 C CE2 . TRP A 504 292 . -13.512 45.319 6.476 1.00 22.97 ? ? ? ? ? . 292 TRP A CE2 504 ATOM 2357 C CD2 . TRP A 504 292 . -13.682 43.917 6.365 1.00 24.06 ? ? ? ? ? . 292 TRP A CD2 504 ATOM 2358 C CE3 . TRP A 504 292 . -12.672 43.150 5.759 1.00 24.32 ? ? ? ? ? . 292 TRP A CE3 504 ATOM 2359 C CZ3 . TRP A 504 292 . -11.532 43.808 5.273 1.00 25.61 ? ? ? ? ? . 292 TRP A CZ3 504 ATOM 2360 C CH2 . TRP A 504 292 . -11.396 45.214 5.402 1.00 26.81 ? ? ? ? ? . 292 TRP A CH2 504 ATOM 2361 C CZ2 . TRP A 504 292 . -12.371 45.979 6.010 1.00 23.98 ? ? ? ? ? . 292 TRP A CZ2 504 ATOM 2362 C C . TRP A 504 292 . -16.980 40.548 6.064 1.00 22.66 ? ? ? ? ? . 292 TRP A C 504 ATOM 2363 O O . TRP A 504 292 . -18.071 40.379 6.673 1.00 22.99 ? ? ? ? ? . 292 TRP A O 504 ATOM 2364 N N . TYR A 504 293 . -16.244 39.571 5.515 1.00 21.72 ? ? ? ? ? . 293 TYR A N 504 ATOM 2365 C CA . TYR A 504 293 . -16.459 38.147 5.781 1.00 21.05 ? ? ? ? ? . 293 TYR A CA 504 ATOM 2366 C CB . TYR A 504 293 . -16.821 37.408 4.482 1.00 20.77 ? ? ? ? ? . 293 TYR A CB 504 ATOM 2367 C CG . TYR A 504 293 . -18.188 37.781 3.884 1.00 20.05 ? ? ? ? ? . 293 TYR A CG 504 ATOM 2368 C CD1 . TYR A 504 293 . -19.393 37.341 4.469 1.00 23.17 ? ? ? ? ? . 293 TYR A CD1 504 ATOM 2369 C CE1 . TYR A 504 293 . -20.649 37.693 3.907 1.00 23.68 ? ? ? ? ? . 293 TYR A CE1 504 ATOM 2370 C CZ . TYR A 504 293 . -20.667 38.490 2.756 1.00 22.17 ? ? ? ? ? . 293 TYR A CZ 504 ATOM 2371 O OH . TYR A 504 293 . -21.843 38.857 2.177 1.00 23.68 ? ? ? ? ? . 293 TYR A OH 504 ATOM 2372 C CE2 . TYR A 504 293 . -19.498 38.911 2.188 1.00 19.31 ? ? ? ? ? . 293 TYR A CE2 504 ATOM 2373 C CD2 . TYR A 504 293 . -18.275 38.564 2.760 1.00 18.64 ? ? ? ? ? . 293 TYR A CD2 504 ATOM 2374 C C . TYR A 504 293 . -15.203 37.576 6.447 1.00 21.20 ? ? ? ? ? . 293 TYR A C 504 ATOM 2375 O O . TYR A 504 293 . -14.087 37.933 6.071 1.00 22.13 ? ? ? ? ? . 293 TYR A O 504 ATOM 2376 N N . TYR A 504 294 . -15.390 36.746 7.469 1.00 20.96 ? ? ? ? ? . 294 TYR A N 504 ATOM 2377 C CA . TYR A 504 294 . -14.300 36.100 8.203 1.00 20.59 ? ? ? ? ? . 294 TYR A CA 504 ATOM 2378 C CB . TYR A 504 294 . -14.506 36.193 9.741 1.00 21.07 ? ? ? ? ? . 294 TYR A CB 504 ATOM 2379 C CG . TYR A 504 294 . -13.425 35.445 10.519 1.00 22.51 ? ? ? ? ? . 294 TYR A CG 504 ATOM 2380 C CD1 . TYR A 504 294 . -12.091 35.889 10.500 1.00 24.93 ? ? ? ? ? . 294 TYR A CD1 504 ATOM 2381 C CE1 . TYR A 504 294 . -11.089 35.205 11.180 1.00 23.81 ? ? ? ? ? . 294 TYR A CE1 504 ATOM 2382 C CZ . TYR A 504 294 . -11.409 34.067 11.880 1.00 24.03 ? ? ? ? ? . 294 TYR A CZ 504 ATOM 2383 O OH . TYR A 504 294 . -10.392 33.421 12.545 1.00 25.89 ? ? ? ? ? . 294 TYR A OH 504 ATOM 2384 C CE2 . TYR A 504 294 . -12.713 33.595 11.921 1.00 21.84 ? ? ? ? ? . 294 TYR A CE2 504 ATOM 2385 C CD2 . TYR A 504 294 . -13.715 34.288 11.249 1.00 21.92 ? ? ? ? ? . 294 TYR A CD2 504 ATOM 2386 C C . TYR A 504 294 . -14.184 34.633 7.790 1.00 20.14 ? ? ? ? ? . 294 TYR A C 504 ATOM 2387 O O . TYR A 504 294 . -15.160 33.935 7.681 1.00 19.75 ? ? ? ? ? . 294 TYR A O 504 ATOM 2388 N N . LEU A 504 295 . -12.971 34.183 7.531 1.00 20.53 ? ? ? ? ? . 295 LEU A N 504 ATOM 2389 C CA . LEU A 504 295 . -12.717 32.792 7.187 1.00 20.42 ? ? ? ? ? . 295 LEU A CA 504 ATOM 2390 C CB . LEU A 504 295 . -11.902 32.691 5.903 1.00 20.00 ? ? ? ? ? . 295 LEU A CB 504 ATOM 2391 C CG . LEU A 504 295 . -12.400 33.562 4.756 1.00 18.93 ? ? ? ? ? . 295 LEU A CG 504 ATOM 2392 C CD1 . LEU A 504 295 . -11.218 33.973 3.922 1.00 19.35 ? ? ? ? ? . 295 LEU A CD1 504 ATOM 2393 C CD2 . LEU A 504 295 . -13.394 32.818 3.918 1.00 17.60 ? ? ? ? ? . 295 LEU A CD2 504 ATOM 2394 C C . LEU A 504 295 . -11.921 32.189 8.322 1.00 20.77 ? ? ? ? ? . 295 LEU A C 504 ATOM 2395 O O . LEU A 504 295 . -10.936 32.788 8.780 1.00 21.23 ? ? ? ? ? . 295 LEU A O 504 ATOM 2396 N N . LYS A 504 296 . -12.340 31.008 8.767 1.00 20.78 ? ? ? ? ? . 296 LYS A N 504 ATOM 2397 C CA . LYS A 504 296 . -11.798 30.409 9.975 1.00 20.87 ? ? ? ? ? . 296 LYS A CA 504 ATOM 2398 C CB . LYS A 504 296 . -12.683 29.259 10.451 1.00 20.90 ? ? ? ? ? . 296 LYS A CB 504 ATOM 2399 C CG . LYS A 504 296 . -14.159 29.590 10.630 1.00 21.31 ? ? ? ? ? . 296 LYS A CG 504 ATOM 2400 C CD . LYS A 504 296 . -14.762 28.614 11.618 1.00 24.23 ? ? ? ? ? . 296 LYS A CD 504 ATOM 2401 C CE . LYS A 504 296 . -16.282 28.632 11.681 1.00 25.89 ? ? ? ? ? . 296 LYS A CE 504 ATOM 2402 N NZ . LYS A 504 296 . -16.766 27.535 12.629 1.00 28.04 ? ? ? ? ? . 296 LYS A NZ 504 ATOM 2403 C C . LYS A 504 296 . -10.391 29.931 9.670 1.00 20.76 ? ? ? ? ? . 296 LYS A C 504 ATOM 2404 O O . LYS A 504 296 . -9.907 30.121 8.565 1.00 20.45 ? ? ? ? ? . 296 LYS A O 504 ATOM 2405 N N . PRO A 504 297 . -9.708 29.330 10.652 1.00 21.17 ? ? ? ? ? . 297 PRO A N 504 ATOM 2406 C CA . PRO A 504 297 . -8.396 28.723 10.339 1.00 21.15 ? ? ? ? ? . 297 PRO A CA 504 ATOM 2407 C CB . PRO A 504 297 . -7.937 28.184 11.679 1.00 20.29 ? ? ? ? ? . 297 PRO A CB 504 ATOM 2408 C CG . PRO A 504 297 . -8.558 29.118 12.656 1.00 20.98 ? ? ? ? ? . 297 PRO A CG 504 ATOM 2409 C CD . PRO A 504 297 . -9.942 29.399 12.104 1.00 21.08 ? ? ? ? ? . 297 PRO A CD 504 ATOM 2410 C C . PRO A 504 297 . -8.456 27.605 9.304 1.00 21.68 ? ? ? ? ? . 297 PRO A C 504 ATOM 2411 O O . PRO A 504 297 . -7.483 27.393 8.586 1.00 21.67 ? ? ? ? ? . 297 PRO A O 504 ATOM 2412 N N . ASP A 504 298 . -9.587 26.915 9.187 1.00 22.68 ? ? ? ? ? . 298 ASP A N 504 ATOM 2413 C CA . ASP A 504 298 . -9.650 25.814 8.222 1.00 24.00 ? ? ? ? ? . 298 ASP A CA 504 ATOM 2414 C CB . ASP A 504 298 . -10.633 24.730 8.657 1.00 24.22 ? ? ? ? ? . 298 ASP A CB 504 ATOM 2415 C CG . ASP A 504 298 . -12.039 25.244 8.751 1.00 26.45 ? ? ? ? ? . 298 ASP A CG 504 ATOM 2416 O OD1 . ASP A 504 298 . -12.258 26.391 8.286 1.00 27.46 ? ? ? ? ? . 298 ASP A OD1 504 ATOM 2417 O OD2 . ASP A 504 298 . -12.922 24.508 9.274 1.00 28.34 ? ? ? ? ? . 298 ASP A OD2 504 ATOM 2418 C C . ASP A 504 298 . -10.019 26.305 6.845 1.00 24.17 ? ? ? ? ? . 298 ASP A C 504 ATOM 2419 O O . ASP A 504 298 . -10.020 25.525 5.902 1.00 25.47 ? ? ? ? ? . 298 ASP A O 504 ATOM 2420 N N . GLY A 504 299 . -10.366 27.579 6.725 1.00 23.57 ? ? ? ? ? . 299 GLY A N 504 ATOM 2421 C CA . GLY A 504 299 . -10.659 28.149 5.432 1.00 22.90 ? ? ? ? ? . 299 GLY A CA 504 ATOM 2422 C C . GLY A 504 299 . -12.120 28.502 5.282 1.00 23.16 ? ? ? ? ? . 299 GLY A C 504 ATOM 2423 O O . GLY A 504 299 . -12.454 29.380 4.482 1.00 23.63 ? ? ? ? ? . 299 GLY A O 504 ATOM 2424 N N . THR A 504 300 . -12.984 27.829 6.037 1.00 22.58 ? ? ? ? ? . 300 THR A N 504 ATOM 2425 C CA . THR A 504 300 . -14.433 27.988 5.867 1.00 23.41 ? ? ? ? ? . 300 THR A CA 504 ATOM 2426 C CB . THR A 504 300 . -15.259 26.823 6.560 1.00 23.18 ? ? ? ? ? . 300 THR A CB 504 ATOM 2427 O OG1 . THR A 504 300 . -14.969 26.740 7.975 1.00 21.90 ? ? ? ? ? . 300 THR A OG1 504 ATOM 2428 C CG2 . THR A 504 300 . -14.916 25.504 5.916 1.00 23.60 ? ? ? ? ? . 300 THR A CG2 504 ATOM 2429 C C . THR A 504 300 . -15.020 29.361 6.267 1.00 23.87 ? ? ? ? ? . 300 THR A C 504 ATOM 2430 O O . THR A 504 300 . -14.610 29.977 7.256 1.00 24.00 ? ? ? ? ? . 300 THR A O 504 ATOM 2431 N N . LEU A 504 301 . -16.012 29.820 5.514 1.00 24.60 ? ? ? ? ? . 301 LEU A N 504 ATOM 2432 C CA . LEU A 504 301 . -16.757 31.034 5.906 1.00 24.77 ? ? ? ? ? . 301 LEU A CA 504 ATOM 2433 C CB . LEU A 504 301 . -17.859 31.371 4.885 1.00 24.99 ? ? ? ? ? . 301 LEU A CB 504 ATOM 2434 C CG . LEU A 504 301 . -18.751 32.555 5.307 1.00 26.36 ? ? ? ? ? . 301 LEU A CG 504 ATOM 2435 C CD1 . LEU A 504 301 . -17.893 33.848 5.386 1.00 30.49 ? ? ? ? ? . 301 LEU A CD1 504 ATOM 2436 C CD2 . LEU A 504 301 . -19.982 32.763 4.417 1.00 25.22 ? ? ? ? ? . 301 LEU A CD2 504 ATOM 2437 C C . LEU A 504 301 . -17.394 30.842 7.266 1.00 23.96 ? ? ? ? ? . 301 LEU A C 504 ATOM 2438 O O . LEU A 504 301 . -17.901 29.769 7.543 1.00 23.86 ? ? ? ? ? . 301 LEU A O 504 ATOM 2439 N N . ALA A 504 302 . -17.363 31.880 8.098 1.00 23.40 ? ? ? ? ? . 302 ALA A N 504 ATOM 2440 C CA . ALA A 504 302 . -18.118 31.894 9.333 1.00 23.66 ? ? ? ? ? . 302 ALA A CA 504 ATOM 2441 C CB . ALA A 504 302 . -17.398 32.699 10.367 1.00 22.56 ? ? ? ? ? . 302 ALA A CB 504 ATOM 2442 C C . ALA A 504 302 . -19.566 32.406 9.096 1.00 24.91 ? ? ? ? ? . 302 ALA A C 504 ATOM 2443 O O . ALA A 504 302 . -19.822 33.602 9.006 1.00 24.69 ? ? ? ? ? . 302 ALA A O 504 ATOM 2444 N N . ASP A 504 303 . -20.503 31.471 8.936 1.00 26.50 ? ? ? ? ? . 303 ASP A N 504 ATOM 2445 C CA . ASP A 504 303 . -21.959 31.774 8.935 1.00 27.59 ? ? ? ? ? . 303 ASP A CA 504 ATOM 2446 C CB . ASP A 504 303 . -22.836 30.498 8.995 1.00 27.66 ? ? ? ? ? . 303 ASP A CB 504 ATOM 2447 C CG . ASP A 504 303 . -22.223 29.392 9.885 1.00 30.47 ? ? ? ? ? . 303 ASP A CG 504 ATOM 2448 O OD1 . ASP A 504 303 . -21.132 28.861 9.553 1.00 32.37 ? ? ? ? ? . 303 ASP A OD1 504 ATOM 2449 O OD2 . ASP A 504 303 . -22.824 29.036 10.923 1.00 33.09 ? ? ? ? ? . 303 ASP A OD2 504 ATOM 2450 C C . ASP A 504 303 . -22.310 32.696 10.085 1.00 27.30 ? ? ? ? ? . 303 ASP A C 504 ATOM 2451 O O . ASP A 504 303 . -22.999 33.681 9.869 1.00 27.70 ? ? ? ? ? . 303 ASP A O 504 ATOM 2452 N N . LYS A 504 304 . -21.810 32.403 11.288 1.00 27.70 ? ? ? ? ? . 304 LYS A N 504 ATOM 2453 C CA . LYS A 504 304 . -22.167 33.189 12.489 1.00 28.54 ? ? ? ? ? . 304 LYS A CA 504 ATOM 2454 C CB . LYS A 504 304 . -23.150 32.379 13.338 1.00 29.07 ? ? ? ? ? . 304 LYS A CB 504 ATOM 2455 C CG . LYS A 504 304 . -24.520 32.200 12.669 1.00 30.86 ? ? ? ? ? . 304 LYS A CG 504 ATOM 2456 C CD . LYS A 504 304 . -25.078 30.794 12.866 1.00 34.91 ? ? ? ? ? . 304 LYS A CD 504 ATOM 2457 C CE . LYS A 504 304 . -26.604 30.792 12.713 1.00 36.15 ? ? ? ? ? . 304 LYS A CE 504 ATOM 2458 N NZ . LYS A 504 304 . -27.213 31.966 13.431 1.00 36.12 ? ? ? ? ? . 304 LYS A NZ 504 ATOM 2459 C C . LYS A 504 304 . -20.963 33.608 13.339 1.00 28.39 ? ? ? ? ? . 304 LYS A C 504 ATOM 2460 O O . LYS A 504 304 . -20.693 33.013 14.383 1.00 28.22 ? ? ? ? ? . 304 LYS A O 504 ATOM 2461 N N . ALA A 504 305 . -20.232 34.629 12.891 1.00 28.31 ? ? ? ? ? . 305 ALA A N 504 ATOM 2462 C CA . ALA A 504 305 . -19.020 35.071 13.591 1.00 27.59 ? ? ? ? ? . 305 ALA A CA 504 ATOM 2463 C CB . ALA A 504 305 . -18.349 36.094 12.755 1.00 27.00 ? ? ? ? ? . 305 ALA A CB 504 ATOM 2464 C C . ALA A 504 305 . -19.343 35.645 14.992 1.00 27.84 ? ? ? ? ? . 305 ALA A C 504 ATOM 2465 O O . ALA A 504 305 . -20.368 36.323 15.143 1.00 27.92 ? ? ? ? ? . 305 ALA A O 504 ATOM 2466 N N . GLU A 504 306 . -18.497 35.372 16.004 1.00 27.90 ? ? ? ? ? . 306 GLU A N 504 ATOM 2467 C CA . GLU A 504 306 . -18.607 36.009 17.351 1.00 27.62 ? ? ? ? ? . 306 GLU A CA 504 ATOM 2468 C CB . GLU A 504 306 . -18.921 34.992 18.436 1.00 28.11 ? ? ? ? ? . 306 GLU A CB 504 ATOM 2469 C CG . GLU A 504 306 . -20.403 34.679 18.563 1.00 31.88 ? ? ? ? ? . 306 GLU A CG 504 ATOM 2470 C CD . GLU A 504 306 . -20.683 33.303 19.185 1.00 36.62 ? ? ? ? ? . 306 GLU A CD 504 ATOM 2471 O OE1 . GLU A 504 306 . -19.786 32.416 19.180 1.00 37.24 ? ? ? ? ? . 306 GLU A OE1 504 ATOM 2472 O OE2 . GLU A 504 306 . -21.824 33.121 19.680 1.00 39.35 ? ? ? ? ? . 306 GLU A OE2 504 ATOM 2473 C C . GLU A 504 306 . -17.408 36.828 17.803 1.00 27.13 ? ? ? ? ? . 306 GLU A C 504 ATOM 2474 O O . GLU A 504 306 . -16.235 36.422 17.655 1.00 27.17 ? ? ? ? ? . 306 GLU A O 504 ATOM 2475 N N . PHE A 504 307 . -17.711 37.981 18.398 1.00 26.30 ? ? ? ? ? . 307 PHE A N 504 ATOM 2476 C CA . PHE A 504 307 . -16.694 38.957 18.735 1.00 25.07 ? ? ? ? ? . 307 PHE A CA 504 ATOM 2477 C CB . PHE A 504 307 . -16.942 40.233 17.943 1.00 24.03 ? ? ? ? ? . 307 PHE A CB 504 ATOM 2478 C CG . PHE A 504 307 . -17.020 40.008 16.465 1.00 20.94 ? ? ? ? ? . 307 PHE A CG 504 ATOM 2479 C CD1 . PHE A 504 307 . -15.864 39.941 15.703 1.00 15.51 ? ? ? ? ? . 307 PHE A CD1 504 ATOM 2480 C CE1 . PHE A 504 307 . -15.933 39.728 14.354 1.00 12.26 ? ? ? ? ? . 307 PHE A CE1 504 ATOM 2481 C CZ . PHE A 504 307 . -17.173 39.574 13.722 1.00 13.33 ? ? ? ? ? . 307 PHE A CZ 504 ATOM 2482 C CE2 . PHE A 504 307 . -18.328 39.637 14.452 1.00 14.03 ? ? ? ? ? . 307 PHE A CE2 504 ATOM 2483 C CD2 . PHE A 504 307 . -18.259 39.851 15.822 1.00 18.57 ? ? ? ? ? . 307 PHE A CD2 504 ATOM 2484 C C . PHE A 504 307 . -16.675 39.253 20.212 1.00 26.00 ? ? ? ? ? . 307 PHE A C 504 ATOM 2485 O O . PHE A 504 307 . -17.701 39.242 20.863 1.00 26.20 ? ? ? ? ? . 307 PHE A O 504 ATOM 2486 N N . THR A 504 308 . -15.489 39.474 20.757 1.00 27.28 ? ? ? ? ? . 308 THR A N 504 ATOM 2487 C CA . THR A 504 308 . -15.383 40.065 22.080 1.00 28.50 ? ? ? ? ? . 308 THR A CA 504 ATOM 2488 C CB . THR A 504 308 . -14.893 39.087 23.168 1.00 28.29 ? ? ? ? ? . 308 THR A CB 504 ATOM 2489 O OG1 . THR A 504 308 . -13.473 39.006 23.096 1.00 29.80 ? ? ? ? ? . 308 THR A OG1 504 ATOM 2490 C CG2 . THR A 504 308 . -15.501 37.686 23.025 1.00 26.09 ? ? ? ? ? . 308 THR A CG2 504 ATOM 2491 C C . THR A 504 308 . -14.377 41.206 21.961 1.00 30.07 ? ? ? ? ? . 308 THR A C 504 ATOM 2492 O O . THR A 504 308 . -13.415 41.145 21.146 1.00 30.11 ? ? ? ? ? . 308 THR A O 504 ATOM 2493 N N . VAL A 504 309 . -14.599 42.245 22.761 1.00 31.29 ? ? ? ? ? . 309 VAL A N 504 ATOM 2494 C CA . VAL A 504 309 . -13.695 43.380 22.767 1.00 32.51 ? ? ? ? ? . 309 VAL A CA 504 ATOM 2495 C CB . VAL A 504 309 . -14.340 44.661 22.153 1.00 32.46 ? ? ? ? ? . 309 VAL A CB 504 ATOM 2496 C CG1 . VAL A 504 309 . -13.255 45.559 21.607 1.00 31.82 ? ? ? ? ? . 309 VAL A CG1 504 ATOM 2497 C CG2 . VAL A 504 309 . -15.361 44.306 21.051 1.00 31.57 ? ? ? ? ? . 309 VAL A CG2 504 ATOM 2498 C C . VAL A 504 309 . -13.199 43.690 24.171 1.00 33.86 ? ? ? ? ? . 309 VAL A C 504 ATOM 2499 O O . VAL A 504 309 . -13.991 43.937 25.085 1.00 34.26 ? ? ? ? ? . 309 VAL A O 504 ATOM 2500 N N . GLU A 504 310 . -11.881 43.664 24.324 1.00 35.35 ? ? ? ? ? . 310 GLU A N 504 ATOM 2501 C CA . GLU A 504 310 . -11.209 44.159 25.511 1.00 37.01 ? ? ? ? ? . 310 GLU A CA 504 ATOM 2502 C CB . GLU A 504 310 . -9.864 43.425 25.658 1.00 37.39 ? ? ? ? ? . 310 GLU A CB 504 ATOM 2503 C CG . GLU A 504 310 . -10.010 42.081 26.448 1.00 41.31 ? ? ? ? ? . 310 GLU A CG 504 ATOM 2504 C CD . GLU A 504 310 . -8.941 41.018 26.101 1.00 47.54 ? ? ? ? ? . 310 GLU A CD 504 ATOM 2505 O OE1 . GLU A 504 310 . -8.136 40.640 27.010 1.00 47.70 ? ? ? ? ? . 310 GLU A OE1 504 ATOM 2506 O OE2 . GLU A 504 310 . -8.921 40.548 24.921 1.00 49.94 ? ? ? ? ? . 310 GLU A OE2 504 ATOM 2507 C C . GLU A 504 310 . -11.091 45.713 25.497 1.00 37.48 ? ? ? ? ? . 310 GLU A C 504 ATOM 2508 O O . GLU A 504 310 . -11.322 46.353 24.446 1.00 37.84 ? ? ? ? ? . 310 GLU A O 504 ATOM 2509 N N . PRO A 504 311 . -10.749 46.332 26.655 1.00 37.79 ? ? ? ? ? . 311 PRO A N 504 ATOM 2510 C CA . PRO A 504 311 . -10.679 47.809 26.823 1.00 37.03 ? ? ? ? ? . 311 PRO A CA 504 ATOM 2511 C CB . PRO A 504 311 . -10.279 47.968 28.298 1.00 37.70 ? ? ? ? ? . 311 PRO A CB 504 ATOM 2512 C CG . PRO A 504 311 . -9.494 46.662 28.607 1.00 38.49 ? ? ? ? ? . 311 PRO A CG 504 ATOM 2513 C CD . PRO A 504 311 . -10.377 45.640 27.912 1.00 38.15 ? ? ? ? ? . 311 PRO A CD 504 ATOM 2514 C C . PRO A 504 311 . -9.665 48.570 25.953 1.00 36.02 ? ? ? ? ? . 311 PRO A C 504 ATOM 2515 O O . PRO A 504 311 . -9.889 49.752 25.660 1.00 35.90 ? ? ? ? ? . 311 PRO A O 504 ATOM 2516 N N . ASP A 504 312 . -8.558 47.931 25.573 1.00 34.48 ? ? ? ? ? . 312 ASP A N 504 ATOM 2517 C CA . ASP A 504 312 . -7.625 48.552 24.603 1.00 33.22 ? ? ? ? ? . 312 ASP A CA 504 ATOM 2518 C CB . ASP A 504 312 . -6.206 47.969 24.688 1.00 33.18 ? ? ? ? ? . 312 ASP A CB 504 ATOM 2519 C CG . ASP A 504 312 . -6.132 46.499 24.254 1.00 35.12 ? ? ? ? ? . 312 ASP A CG 504 ATOM 2520 O OD1 . ASP A 504 312 . -7.109 45.738 24.504 1.00 35.50 ? ? ? ? ? . 312 ASP A OD1 504 ATOM 2521 O OD2 . ASP A 504 312 . -5.078 46.102 23.674 1.00 36.45 ? ? ? ? ? . 312 ASP A OD2 504 ATOM 2522 C C . ASP A 504 312 . -8.130 48.490 23.152 1.00 32.26 ? ? ? ? ? . 312 ASP A C 504 ATOM 2523 O O . ASP A 504 312 . -7.528 49.086 22.277 1.00 32.19 ? ? ? ? ? . 312 ASP A O 504 ATOM 2524 N N . GLY A 504 313 . -9.232 47.784 22.899 1.00 31.11 ? ? ? ? ? . 313 GLY A N 504 ATOM 2525 C CA . GLY A 504 313 . -9.760 47.666 21.546 1.00 29.41 ? ? ? ? ? . 313 GLY A CA 504 ATOM 2526 C C . GLY A 504 313 . -9.544 46.312 20.892 1.00 27.89 ? ? ? ? ? . 313 GLY A C 504 ATOM 2527 O O . GLY A 504 313 . -10.072 46.060 19.821 1.00 26.91 ? ? ? ? ? . 313 GLY A O 504 ATOM 2528 N N . LEU A 504 314 . -8.783 45.442 21.558 1.00 27.05 ? ? ? ? ? . 314 LEU A N 504 ATOM 2529 C CA . LEU A 504 314 . -8.462 44.099 21.039 1.00 26.16 ? ? ? ? ? . 314 LEU A CA 504 ATOM 2530 C CB . LEU A 504 314 . -7.497 43.359 21.955 1.00 24.94 ? ? ? ? ? . 314 LEU A CB 504 ATOM 2531 C CG . LEU A 504 314 . -7.225 41.923 21.530 1.00 23.44 ? ? ? ? ? . 314 LEU A CG 504 ATOM 2532 C CD1 . LEU A 504 314 . -6.409 41.820 20.252 1.00 20.65 ? ? ? ? ? . 314 LEU A CD1 504 ATOM 2533 C CD2 . LEU A 504 314 . -6.553 41.181 22.661 1.00 24.95 ? ? ? ? ? . 314 LEU A CD2 504 ATOM 2534 C C . LEU A 504 314 . -9.684 43.238 20.761 1.00 25.88 ? ? ? ? ? . 314 LEU A C 504 ATOM 2535 O O . LEU A 504 314 . -10.553 43.118 21.604 1.00 26.29 ? ? ? ? ? . 314 LEU A O 504 ATOM 2536 N N . ILE A 504 315 . -9.729 42.645 19.569 1.00 25.72 ? ? ? ? ? . 315 ILE A N 504 ATOM 2537 C CA . ILE A 504 315 . -10.888 41.866 19.132 1.00 25.31 ? ? ? ? ? . 315 ILE A CA 504 ATOM 2538 C CB . ILE A 504 315 . -11.420 42.340 17.759 1.00 24.97 ? ? ? ? ? . 315 ILE A CB 504 ATOM 2539 C CG1 . ILE A 504 315 . -11.564 43.853 17.707 1.00 23.96 ? ? ? ? ? . 315 ILE A CG1 504 ATOM 2540 C CD1 . ILE A 504 315 . -11.422 44.414 16.315 1.00 24.50 ? ? ? ? ? . 315 ILE A CD1 504 ATOM 2541 C CG2 . ILE A 504 315 . -12.735 41.658 17.422 1.00 25.27 ? ? ? ? ? . 315 ILE A CG2 504 ATOM 2542 C C . ILE A 504 315 . -10.538 40.411 18.969 1.00 25.24 ? ? ? ? ? . 315 ILE A C 504 ATOM 2543 O O . ILE A 504 315 . -9.577 40.071 18.282 1.00 24.72 ? ? ? ? ? . 315 ILE A O 504 ATOM 2544 N N . THR A 504 316 . -11.350 39.547 19.567 1.00 25.95 ? ? ? ? ? . 316 THR A N 504 ATOM 2545 C CA . THR A 504 316 . -11.266 38.109 19.283 1.00 26.05 ? ? ? ? ? . 316 THR A CA 504 ATOM 2546 C CB . THR A 504 316 . -11.290 37.234 20.532 1.00 25.87 ? ? ? ? ? . 316 THR A CB 504 ATOM 2547 O OG1 . THR A 504 316 . -12.637 37.188 21.027 1.00 26.97 ? ? ? ? ? . 316 THR A OG1 504 ATOM 2548 C CG2 . THR A 504 316 . -10.306 37.714 21.596 1.00 24.86 ? ? ? ? ? . 316 THR A CG2 504 ATOM 2549 C C . THR A 504 316 . -12.484 37.689 18.491 1.00 26.15 ? ? ? ? ? . 316 THR A C 504 ATOM 2550 O O . THR A 504 316 . -13.580 38.200 18.731 1.00 26.14 ? ? ? ? ? . 316 THR A O 504 ATOM 2551 N N . VAL A 504 317 . -12.294 36.720 17.596 1.00 26.44 ? ? ? ? ? . 317 VAL A N 504 ATOM 2552 C CA . VAL A 504 317 . -13.371 36.262 16.739 1.00 26.97 ? ? ? ? ? . 317 VAL A CA 504 ATOM 2553 C CB . VAL A 504 317 . -13.265 36.914 15.321 1.00 26.81 ? ? ? ? ? . 317 VAL A CB 504 ATOM 2554 C CG1 . VAL A 504 317 . -11.906 36.635 14.666 1.00 25.51 ? ? ? ? ? . 317 VAL A CG1 504 ATOM 2555 C CG2 . VAL A 504 317 . -14.475 36.537 14.430 1.00 25.90 ? ? ? ? ? . 317 VAL A CG2 504 ATOM 2556 C C . VAL A 504 317 . -13.476 34.721 16.703 1.00 27.95 ? ? ? ? ? . 317 VAL A C 504 ATOM 2557 O O . VAL A 504 317 . -12.454 34.023 16.677 1.00 28.46 ? ? ? ? ? . 317 VAL A O 504 ATOM 2558 N N . LYS A 504 318 . -14.717 34.217 16.707 1.00 28.56 ? ? ? ? ? . 318 LYS A N 504 ATOM 2559 C CA . LYS A 504 318 . -15.022 32.781 16.731 1.00 28.94 ? ? ? ? ? . 318 LYS A CA 504 ATOM 2560 C CB . LYS A 504 318 . -15.038 32.298 18.178 1.00 29.35 ? ? ? ? ? . 318 LYS A CB 504 ATOM 2561 C CG . LYS A 504 318 . -14.797 30.825 18.320 1.00 32.40 ? ? ? ? ? . 318 LYS A CG 504 ATOM 2562 C CD . LYS A 504 318 . -15.783 30.185 19.317 1.00 37.03 ? ? ? ? ? . 318 LYS A CD 504 ATOM 2563 C CE . LYS A 504 318 . -15.684 28.639 19.271 1.00 38.94 ? ? ? ? ? . 318 LYS A CE 504 ATOM 2564 N NZ . LYS A 504 318 . -16.893 27.964 19.884 1.00 40.16 ? ? ? ? ? . 318 LYS A NZ 504 ATOM 2565 C C . LYS A 504 318 . -16.359 32.444 16.045 1.00 27.69 ? ? ? ? ? . 318 LYS A C 504 ATOM 2566 C C6 . CHT A 504 401 . 0.347 32.137 -9.377 1.00 40.14 ? ? ? ? ? . 401 CHT A C6 504 ATOM 2567 N N1 . CHT A 504 401 . 0.542 30.859 -8.670 1.00 40.28 ? ? ? ? ? . 401 CHT A N1 504 ATOM 2568 C C7 . CHT A 504 401 . 0.766 31.133 -7.241 1.00 41.37 ? ? ? ? ? . 401 CHT A C7 504 ATOM 2569 C C8 . CHT A 504 401 . -0.671 30.062 -8.807 1.00 38.78 ? ? ? ? ? . 401 CHT A C8 504 ATOM 2570 C C5 . CHT A 504 401 . 1.641 30.035 -9.229 1.00 42.59 ? ? ? ? ? . 401 CHT A C5 504 ATOM 2571 C C4 . CHT A 504 401 . 3.079 30.526 -8.878 1.00 45.07 ? ? ? ? ? . 401 CHT A C4 504 ATOM 2572 O O6 . CHT A 504 401 . 3.249 31.919 -9.268 1.00 46.00 ? ? ? ? ? . 401 CHT A O6 504 ATOM 2573 C C6 . CHT A 504 402 . -10.923 21.946 2.991 1.00 56.88 ? ? ? ? ? . 402 CHT A C6 504 ATOM 2574 N N1 . CHT A 504 402 . -10.910 21.462 1.600 1.00 56.37 ? ? ? ? ? . 402 CHT A N1 504 ATOM 2575 C C7 . CHT A 504 402 . -12.169 21.781 0.916 1.00 55.57 ? ? ? ? ? . 402 CHT A C7 504 ATOM 2576 C C8 . CHT A 504 402 . -9.890 22.211 0.881 1.00 55.12 ? ? ? ? ? . 402 CHT A C8 504 ATOM 2577 C C5 . CHT A 504 402 . -10.593 20.002 1.496 1.00 58.16 ? ? ? ? ? . 402 CHT A C5 504 ATOM 2578 C C4 . CHT A 504 402 . -11.105 19.095 2.663 1.00 59.41 ? ? ? ? ? . 402 CHT A C4 504 ATOM 2579 O O6 . CHT A 504 402 . -11.186 17.695 2.257 1.00 59.22 ? ? ? ? ? . 402 CHT A O6 504 ATOM 2580 C C6 . CHT A 504 403 . -10.386 23.149 -22.437 1.00 45.34 ? ? ? ? ? . 403 CHT A C6 504 ATOM 2581 N N1 . CHT A 504 403 . -9.089 23.135 -21.706 1.00 45.43 ? ? ? ? ? . 403 CHT A N1 504 ATOM 2582 C C7 . CHT A 504 403 . -8.735 24.506 -21.276 1.00 44.39 ? ? ? ? ? . 403 CHT A C7 504 ATOM 2583 C C8 . CHT A 504 403 . -9.259 22.232 -20.559 1.00 42.62 ? ? ? ? ? . 403 CHT A C8 504 ATOM 2584 C C5 . CHT A 504 403 . -7.965 22.589 -22.494 1.00 44.90 ? ? ? ? ? . 403 CHT A C5 504 ATOM 2585 C C4 . CHT A 504 403 . -8.074 22.952 -23.980 1.00 44.32 ? ? ? ? ? . 403 CHT A C4 504 ATOM 2586 O O6 . CHT A 504 403 . -8.077 24.364 -24.080 1.00 45.78 ? ? ? ? ? . 403 CHT A O6 504 ATOM 2587 C C6 . CHT A 504 404 . -21.284 36.886 -0.336 1.00 39.62 ? ? ? ? ? . 404 CHT A C6 504 ATOM 2588 N N1 . CHT A 504 404 . -20.757 35.527 -0.440 1.00 40.52 ? ? ? ? ? . 404 CHT A N1 504 ATOM 2589 C C7 . CHT A 504 404 . -19.945 35.121 0.719 1.00 39.71 ? ? ? ? ? . 404 CHT A C7 504 ATOM 2590 C C8 . CHT A 504 404 . -21.921 34.646 -0.439 1.00 40.28 ? ? ? ? ? . 404 CHT A C8 504 ATOM 2591 C C5 . CHT A 504 404 . -19.882 35.461 -1.645 1.00 42.77 ? ? ? ? ? . 404 CHT A C5 504 ATOM 2592 C C4 . CHT A 504 404 . -20.628 35.330 -3.008 1.00 45.01 ? ? ? ? ? . 404 CHT A C4 504 ATOM 2593 O O6 . CHT A 504 404 . -19.948 36.103 -4.018 1.00 45.74 ? ? ? ? ? . 404 CHT A O6 504 ATOM 4240 N N . SER B 504 173 . 29.067 81.343 2.324 1.00 52.57 ? ? ? ? ? . 173 SER B N 504 ATOM 4241 C CA . SER B 504 173 . 28.207 82.528 1.984 1.00 52.50 ? ? ? ? ? . 173 SER B CA 504 ATOM 4242 C CB . SER B 504 173 . 28.293 83.589 3.101 1.00 53.08 ? ? ? ? ? . 173 SER B CB 504 ATOM 4243 O OG . SER B 504 173 . 29.646 83.840 3.493 1.00 53.66 ? ? ? ? ? . 173 SER B OG 504 ATOM 4244 C C . SER B 504 173 . 28.469 83.183 0.599 1.00 52.16 ? ? ? ? ? . 173 SER B C 504 ATOM 4245 O O . SER B 504 173 . 27.786 84.159 0.237 1.00 52.60 ? ? ? ? ? . 173 SER B O 504 ATOM 4246 N N . ALA B 504 174 . 29.444 82.678 -0.172 1.00 51.02 ? ? ? ? ? . 174 ALA B N 504 ATOM 4247 C CA . ALA B 504 174 . 29.668 83.201 -1.541 1.00 49.65 ? ? ? ? ? . 174 ALA B CA 504 ATOM 4248 C CB . ALA B 504 174 . 30.439 84.565 -1.516 1.00 49.92 ? ? ? ? ? . 174 ALA B CB 504 ATOM 4249 C C . ALA B 504 174 . 30.311 82.213 -2.527 1.00 48.30 ? ? ? ? ? . 174 ALA B C 504 ATOM 4250 O O . ALA B 504 174 . 29.903 82.137 -3.686 1.00 48.29 ? ? ? ? ? . 174 ALA B O 504 ATOM 4251 N N . ALA B 504 175 . 31.332 81.495 -2.068 1.00 46.66 ? ? ? ? ? . 175 ALA B N 504 ATOM 4252 C CA . ALA B 504 175 . 32.011 80.446 -2.852 1.00 44.79 ? ? ? ? ? . 175 ALA B CA 504 ATOM 4253 C CB . ALA B 504 175 . 33.294 80.988 -3.468 1.00 44.76 ? ? ? ? ? . 175 ALA B CB 504 ATOM 4254 C C . ALA B 504 175 . 32.302 79.292 -1.884 1.00 43.50 ? ? ? ? ? . 175 ALA B C 504 ATOM 4255 O O . ALA B 504 175 . 33.246 78.511 -2.071 1.00 42.75 ? ? ? ? ? . 175 ALA B O 504 ATOM 4256 N N . THR B 504 176 . 31.425 79.196 -0.875 1.00 41.88 ? ? ? ? ? . 176 THR B N 504 ATOM 4257 C CA . THR B 504 176 . 31.632 78.426 0.343 1.00 40.14 ? ? ? ? ? . 176 THR B CA 504 ATOM 4258 C CB . THR B 504 176 . 32.649 79.147 1.252 1.00 40.05 ? ? ? ? ? . 176 THR B CB 504 ATOM 4259 O OG1 . THR B 504 176 . 33.895 78.482 1.090 1.00 41.19 ? ? ? ? ? . 176 THR B OG1 504 ATOM 4260 C CG2 . THR B 504 176 . 32.266 79.147 2.761 1.00 39.83 ? ? ? ? ? . 176 THR B CG2 504 ATOM 4261 C C . THR B 504 176 . 30.305 78.103 1.045 1.00 39.00 ? ? ? ? ? . 176 THR B C 504 ATOM 4262 O O . THR B 504 176 . 30.066 78.440 2.216 1.00 39.72 ? ? ? ? ? . 176 THR B O 504 ATOM 4263 N N . GLY B 504 177 . 29.437 77.423 0.326 1.00 36.83 ? ? ? ? ? . 177 GLY B N 504 ATOM 4264 C CA . GLY B 504 177 . 28.190 76.989 0.908 1.00 34.34 ? ? ? ? ? . 177 GLY B CA 504 ATOM 4265 C C . GLY B 504 177 . 27.388 76.516 -0.254 1.00 32.63 ? ? ? ? ? . 177 GLY B C 504 ATOM 4266 O O . GLY B 504 177 . 27.944 76.011 -1.234 1.00 32.22 ? ? ? ? ? . 177 GLY B O 504 ATOM 4267 N N . TRP B 504 178 . 26.088 76.716 -0.171 1.00 31.27 ? ? ? ? ? . 178 TRP B N 504 ATOM 4268 C CA . TRP B 504 178 . 25.232 76.259 -1.222 1.00 30.40 ? ? ? ? ? . 178 TRP B CA 504 ATOM 4269 C CB . TRP B 504 178 . 23.822 76.683 -0.927 1.00 29.39 ? ? ? ? ? . 178 TRP B CB 504 ATOM 4270 C CG . TRP B 504 178 . 23.285 75.953 0.244 1.00 26.87 ? ? ? ? ? . 178 TRP B CG 504 ATOM 4271 C CD1 . TRP B 504 178 . 23.122 76.426 1.525 1.00 24.19 ? ? ? ? ? . 178 TRP B CD1 504 ATOM 4272 N NE1 . TRP B 504 178 . 22.613 75.446 2.327 1.00 23.80 ? ? ? ? ? . 178 TRP B NE1 504 ATOM 4273 C CE2 . TRP B 504 178 . 22.464 74.300 1.585 1.00 24.14 ? ? ? ? ? . 178 TRP B CE2 504 ATOM 4274 C CD2 . TRP B 504 178 . 22.885 74.586 0.269 1.00 26.11 ? ? ? ? ? . 178 TRP B CD2 504 ATOM 4275 C CE3 . TRP B 504 178 . 22.833 73.568 -0.702 1.00 25.51 ? ? ? ? ? . 178 TRP B CE3 504 ATOM 4276 C CZ3 . TRP B 504 178 . 22.363 72.311 -0.325 1.00 24.74 ? ? ? ? ? . 178 TRP B CZ3 504 ATOM 4277 C CH2 . TRP B 504 178 . 21.942 72.064 0.996 1.00 22.18 ? ? ? ? ? . 178 TRP B CH2 504 ATOM 4278 C CZ2 . TRP B 504 178 . 21.982 73.041 1.956 1.00 23.86 ? ? ? ? ? . 178 TRP B CZ2 504 ATOM 4279 C C . TRP B 504 178 . 25.705 76.721 -2.595 1.00 31.36 ? ? ? ? ? . 178 TRP B C 504 ATOM 4280 O O . TRP B 504 178 . 25.898 77.904 -2.818 1.00 31.08 ? ? ? ? ? . 178 TRP B O 504 ATOM 4281 N N . GLN B 504 179 . 25.953 75.759 -3.481 1.00 32.68 ? ? ? ? ? . 179 GLN B N 504 ATOM 4282 C CA . GLN B 504 179 . 26.298 76.015 -4.875 1.00 34.46 ? ? ? ? ? . 179 GLN B CA 504 ATOM 4283 C CB . GLN B 504 179 . 27.658 75.429 -5.262 1.00 34.03 ? ? ? ? ? . 179 GLN B CB 504 ATOM 4284 C CG . GLN B 504 179 . 28.853 75.891 -4.420 1.00 34.29 ? ? ? ? ? . 179 GLN B CG 504 ATOM 4285 C CD . GLN B 504 179 . 29.143 77.377 -4.544 1.00 34.53 ? ? ? ? ? . 179 GLN B CD 504 ATOM 4286 O OE1 . GLN B 504 179 . 29.366 77.887 -5.641 1.00 33.81 ? ? ? ? ? . 179 GLN B OE1 504 ATOM 4287 N NE2 . GLN B 504 179 . 29.140 78.081 -3.413 1.00 35.36 ? ? ? ? ? . 179 GLN B NE2 504 ATOM 4288 C C . GLN B 504 179 . 25.222 75.386 -5.738 1.00 36.31 ? ? ? ? ? . 179 GLN B C 504 ATOM 4289 O O . GLN B 504 179 . 24.424 74.563 -5.248 1.00 36.83 ? ? ? ? ? . 179 GLN B O 504 ATOM 4290 N N . LYS B 504 180 . 25.198 75.796 -7.008 1.00 37.97 ? ? ? ? ? . 180 LYS B N 504 ATOM 4291 C CA . LYS B 504 180 . 24.215 75.356 -7.982 1.00 39.69 ? ? ? ? ? . 180 LYS B CA 504 ATOM 4292 C CB . LYS B 504 180 . 22.981 76.267 -7.925 1.00 39.75 ? ? ? ? ? . 180 LYS B CB 504 ATOM 4293 C CG . LYS B 504 180 . 21.748 75.720 -8.647 1.00 40.67 ? ? ? ? ? . 180 LYS B CG 504 ATOM 4294 C CD . LYS B 504 180 . 20.440 76.229 -8.053 1.00 42.08 ? ? ? ? ? . 180 LYS B CD 504 ATOM 4295 C CE . LYS B 504 180 . 19.294 76.184 -9.074 1.00 45.21 ? ? ? ? ? . 180 LYS B CE 504 ATOM 4296 N NZ . LYS B 504 180 . 19.391 75.005 -10.035 1.00 45.86 ? ? ? ? ? . 180 LYS B NZ 504 ATOM 4297 C C . LYS B 504 180 . 24.848 75.344 -9.390 1.00 41.23 ? ? ? ? ? . 180 LYS B C 504 ATOM 4298 O O . LYS B 504 180 . 24.971 76.382 -10.027 1.00 41.18 ? ? ? ? ? . 180 LYS B O 504 ATOM 4299 N N . ASN B 504 181 . 25.300 74.165 -9.829 1.00 43.04 ? ? ? ? ? . 181 ASN B N 504 ATOM 4300 C CA . ASN B 504 181 . 25.666 73.911 -11.226 1.00 44.66 ? ? ? ? ? . 181 ASN B CA 504 ATOM 4301 C CB . ASN B 504 181 . 26.952 73.060 -11.362 1.00 45.20 ? ? ? ? ? . 181 ASN B CB 504 ATOM 4302 C CG . ASN B 504 181 . 28.201 73.878 -11.865 1.00 47.39 ? ? ? ? ? . 181 ASN B CG 504 ATOM 4303 O OD1 . ASN B 504 181 . 28.288 75.112 -11.711 1.00 47.97 ? ? ? ? ? . 181 ASN B OD1 504 ATOM 4304 N ND2 . ASN B 504 181 . 29.178 73.159 -12.448 1.00 48.64 ? ? ? ? ? . 181 ASN B ND2 504 ATOM 4305 C C . ASN B 504 181 . 24.494 73.214 -11.914 1.00 45.14 ? ? ? ? ? . 181 ASN B C 504 ATOM 4306 O O . ASN B 504 181 . 24.627 72.045 -12.367 1.00 45.24 ? ? ? ? ? . 181 ASN B O 504 ATOM 4307 N N . GLY B 504 182 . 23.346 73.919 -11.910 1.00 45.16 ? ? ? ? ? . 182 GLY B N 504 ATOM 4308 C CA . GLY B 504 182 . 22.207 73.688 -12.826 1.00 44.96 ? ? ? ? ? . 182 GLY B CA 504 ATOM 4309 C C . GLY B 504 182 . 21.423 72.410 -12.627 1.00 44.85 ? ? ? ? ? . 182 GLY B C 504 ATOM 4310 O O . GLY B 504 182 . 20.195 72.453 -12.402 1.00 45.45 ? ? ? ? ? . 182 GLY B O 504 ATOM 4311 N N . THR B 504 183 . 22.148 71.289 -12.732 1.00 44.03 ? ? ? ? ? . 183 THR B N 504 ATOM 4312 C CA . THR B 504 183 . 21.689 69.914 -12.474 1.00 43.22 ? ? ? ? ? . 183 THR B CA 504 ATOM 4313 C CB . THR B 504 183 . 22.824 68.918 -12.814 1.00 43.99 ? ? ? ? ? . 183 THR B CB 504 ATOM 4314 O OG1 . THR B 504 183 . 23.932 69.626 -13.411 1.00 46.10 ? ? ? ? ? . 183 THR B OG1 504 ATOM 4315 C CG2 . THR B 504 183 . 22.320 67.771 -13.738 1.00 44.03 ? ? ? ? ? . 183 THR B CG2 504 ATOM 4316 C C . THR B 504 183 . 21.255 69.594 -11.021 1.00 41.97 ? ? ? ? ? . 183 THR B C 504 ATOM 4317 O O . THR B 504 183 . 20.515 68.630 -10.793 1.00 42.03 ? ? ? ? ? . 183 THR B O 504 ATOM 4318 N N . GLY B 504 184 . 21.727 70.365 -10.045 1.00 40.26 ? ? ? ? ? . 184 GLY B N 504 ATOM 4319 C CA . GLY B 504 184 . 21.312 70.172 -8.649 1.00 38.54 ? ? ? ? ? . 184 GLY B CA 504 ATOM 4320 C C . GLY B 504 184 . 22.173 70.964 -7.682 1.00 37.56 ? ? ? ? ? . 184 GLY B C 504 ATOM 4321 O O . GLY B 504 184 . 23.065 71.722 -8.109 1.00 37.85 ? ? ? ? ? . 184 GLY B O 504 ATOM 4322 N N . TYR B 504 185 . 21.919 70.805 -6.384 1.00 36.04 ? ? ? ? ? . 185 TYR B N 504 ATOM 4323 C CA . TYR B 504 185 . 22.661 71.577 -5.376 1.00 34.63 ? ? ? ? ? . 185 TYR B CA 504 ATOM 4324 C CB . TYR B 504 185 . 21.797 72.004 -4.203 1.00 34.06 ? ? ? ? ? . 185 TYR B CB 504 ATOM 4325 C CG . TYR B 504 185 . 20.759 73.021 -4.507 1.00 33.36 ? ? ? ? ? . 185 TYR B CG 504 ATOM 4326 C CD1 . TYR B 504 185 . 21.069 74.379 -4.507 1.00 33.88 ? ? ? ? ? . 185 TYR B CD1 504 ATOM 4327 C CE1 . TYR B 504 185 . 20.090 75.345 -4.765 1.00 33.20 ? ? ? ? ? . 185 TYR B CE1 504 ATOM 4328 C CZ . TYR B 504 185 . 18.796 74.941 -5.037 1.00 34.44 ? ? ? ? ? . 185 TYR B CZ 504 ATOM 4329 O OH . TYR B 504 185 . 17.827 75.875 -5.294 1.00 34.37 ? ? ? ? ? . 185 TYR B OH 504 ATOM 4330 C CE2 . TYR B 504 185 . 18.463 73.590 -5.045 1.00 35.01 ? ? ? ? ? . 185 TYR B CE2 504 ATOM 4331 C CD2 . TYR B 504 185 . 19.448 72.639 -4.769 1.00 34.25 ? ? ? ? ? . 185 TYR B CD2 504 ATOM 4332 C C . TYR B 504 185 . 23.789 70.768 -4.822 1.00 34.01 ? ? ? ? ? . 185 TYR B C 504 ATOM 4333 O O . TYR B 504 185 . 23.626 69.594 -4.558 1.00 33.58 ? ? ? ? ? . 185 TYR B O 504 ATOM 4334 N N . TRP B 504 186 . 24.933 71.421 -4.648 1.00 34.01 ? ? ? ? ? . 186 TRP B N 504 ATOM 4335 C CA . TRP B 504 186 . 26.041 70.867 -3.872 1.00 33.80 ? ? ? ? ? . 186 TRP B CA 504 ATOM 4336 C CB . TRP B 504 186 . 27.136 70.291 -4.795 1.00 33.73 ? ? ? ? ? . 186 TRP B CB 504 ATOM 4337 C CG . TRP B 504 186 . 28.242 71.221 -5.218 1.00 36.07 ? ? ? ? ? . 186 TRP B CG 504 ATOM 4338 C CD1 . TRP B 504 186 . 29.421 71.473 -4.544 1.00 37.10 ? ? ? ? ? . 186 TRP B CD1 504 ATOM 4339 N NE1 . TRP B 504 186 . 30.200 72.351 -5.255 1.00 37.58 ? ? ? ? ? . 186 TRP B NE1 504 ATOM 4340 C CE2 . TRP B 504 186 . 29.549 72.671 -6.417 1.00 38.80 ? ? ? ? ? . 186 TRP B CE2 504 ATOM 4341 C CD2 . TRP B 504 186 . 28.314 71.970 -6.432 1.00 38.15 ? ? ? ? ? . 186 TRP B CD2 504 ATOM 4342 C CE3 . TRP B 504 186 . 27.452 72.132 -7.523 1.00 39.27 ? ? ? ? ? . 186 TRP B CE3 504 ATOM 4343 C CZ3 . TRP B 504 186 . 27.836 72.967 -8.542 1.00 40.70 ? ? ? ? ? . 186 TRP B CZ3 504 ATOM 4344 C CH2 . TRP B 504 186 . 29.070 73.658 -8.505 1.00 41.69 ? ? ? ? ? . 186 TRP B CH2 504 ATOM 4345 C CZ2 . TRP B 504 186 . 29.939 73.519 -7.451 1.00 40.54 ? ? ? ? ? . 186 TRP B CZ2 504 ATOM 4346 C C . TRP B 504 186 . 26.521 71.908 -2.834 1.00 32.85 ? ? ? ? ? . 186 TRP B C 504 ATOM 4347 O O . TRP B 504 186 . 26.069 73.036 -2.866 1.00 32.56 ? ? ? ? ? . 186 TRP B O 504 ATOM 4348 N N . TYR B 504 187 . 27.398 71.528 -1.906 1.00 32.54 ? ? ? ? ? . 187 TYR B N 504 ATOM 4349 C CA . TYR B 504 187 . 27.701 72.394 -0.760 1.00 32.70 ? ? ? ? ? . 187 TYR B CA 504 ATOM 4350 C CB . TYR B 504 187 . 26.845 71.960 0.397 1.00 32.13 ? ? ? ? ? . 187 TYR B CB 504 ATOM 4351 C CG . TYR B 504 187 . 26.982 72.791 1.629 1.00 32.39 ? ? ? ? ? . 187 TYR B CG 504 ATOM 4352 C CD1 . TYR B 504 187 . 26.190 73.930 1.803 1.00 32.14 ? ? ? ? ? . 187 TYR B CD1 504 ATOM 4353 C CE1 . TYR B 504 187 . 26.277 74.693 2.946 1.00 30.67 ? ? ? ? ? . 187 TYR B CE1 504 ATOM 4354 C CZ . TYR B 504 187 . 27.151 74.319 3.936 1.00 30.38 ? ? ? ? ? . 187 TYR B CZ 504 ATOM 4355 O OH . TYR B 504 187 . 27.206 75.091 5.063 1.00 30.08 ? ? ? ? ? . 187 TYR B OH 504 ATOM 4356 C CE2 . TYR B 504 187 . 27.953 73.200 3.793 1.00 30.28 ? ? ? ? ? . 187 TYR B CE2 504 ATOM 4357 C CD2 . TYR B 504 187 . 27.856 72.431 2.647 1.00 30.77 ? ? ? ? ? . 187 TYR B CD2 504 ATOM 4358 C C . TYR B 504 187 . 29.157 72.348 -0.321 1.00 32.93 ? ? ? ? ? . 187 TYR B C 504 ATOM 4359 O O . TYR B 504 187 . 29.631 71.296 0.049 1.00 33.72 ? ? ? ? ? . 187 TYR B O 504 ATOM 4360 N N . VAL B 504 188 . 29.850 73.487 -0.316 1.00 33.00 ? ? ? ? ? . 188 VAL B N 504 ATOM 4361 C CA . VAL B 504 188 . 31.299 73.526 -0.066 1.00 33.02 ? ? ? ? ? . 188 VAL B CA 504 ATOM 4362 C CB . VAL B 504 188 . 32.021 74.478 -1.056 1.00 32.74 ? ? ? ? ? . 188 VAL B CB 504 ATOM 4363 C CG1 . VAL B 504 188 . 33.483 74.490 -0.805 1.00 32.49 ? ? ? ? ? . 188 VAL B CG1 504 ATOM 4364 C CG2 . VAL B 504 188 . 31.746 74.085 -2.517 1.00 32.24 ? ? ? ? ? . 188 VAL B CG2 504 ATOM 4365 C C . VAL B 504 188 . 31.625 73.957 1.375 1.00 33.73 ? ? ? ? ? . 188 VAL B C 504 ATOM 4366 O O . VAL B 504 188 . 31.063 74.928 1.892 1.00 34.17 ? ? ? ? ? . 188 VAL B O 504 ATOM 4367 N N . HIS B 504 189 . 32.532 73.221 2.021 1.00 34.19 ? ? ? ? ? . 189 HIS B N 504 ATOM 4368 C CA . HIS B 504 189 . 33.034 73.581 3.341 1.00 34.40 ? ? ? ? ? . 189 HIS B CA 504 ATOM 4369 C CB . HIS B 504 189 . 33.424 72.325 4.096 1.00 34.04 ? ? ? ? ? . 189 HIS B CB 504 ATOM 4370 C CG . HIS B 504 189 . 32.300 71.361 4.318 1.00 33.55 ? ? ? ? ? . 189 HIS B CG 504 ATOM 4371 N ND1 . HIS B 504 189 . 31.382 71.513 5.338 1.00 31.50 ? ? ? ? ? . 189 HIS B ND1 504 ATOM 4372 C CE1 . HIS B 504 189 . 30.535 70.498 5.314 1.00 31.71 ? ? ? ? ? . 189 HIS B CE1 504 ATOM 4373 N NE2 . HIS B 504 189 . 30.883 69.683 4.333 1.00 31.98 ? ? ? ? ? . 189 HIS B NE2 504 ATOM 4374 C CD2 . HIS B 504 189 . 31.985 70.200 3.693 1.00 32.36 ? ? ? ? ? . 189 HIS B CD2 504 ATOM 4375 C C . HIS B 504 189 . 34.268 74.480 3.186 1.00 35.10 ? ? ? ? ? . 189 HIS B C 504 ATOM 4376 O O . HIS B 504 189 . 34.819 74.588 2.082 1.00 35.43 ? ? ? ? ? . 189 HIS B O 504 ATOM 4377 N N . SER B 504 190 . 34.706 75.117 4.278 1.00 35.40 ? ? ? ? ? . 190 SER B N 504 ATOM 4378 C CA . SER B 504 190 . 35.919 75.957 4.258 1.00 35.70 ? ? ? ? ? . 190 SER B CA 504 ATOM 4379 C CB . SER B 504 190 . 36.095 76.758 5.561 1.00 35.91 ? ? ? ? ? . 190 SER B CB 504 ATOM 4380 O OG . SER B 504 190 . 35.454 76.131 6.658 1.00 37.09 ? ? ? ? ? . 190 SER B OG 504 ATOM 4381 C C . SER B 504 190 . 37.149 75.117 3.935 1.00 35.87 ? ? ? ? ? . 190 SER B C 504 ATOM 4382 O O . SER B 504 190 . 38.070 75.615 3.294 1.00 35.50 ? ? ? ? ? . 190 SER B O 504 ATOM 4383 N N . ASP B 504 191 . 37.165 73.876 4.452 1.00 36.45 ? ? ? ? ? . 191 ASP B N 504 ATOM 4384 C CA . ASP B 504 191 . 37.688 72.687 3.740 1.00 36.60 ? ? ? ? ? . 191 ASP B CA 504 ATOM 4385 C CB . ASP B 504 191 . 38.924 72.949 2.906 1.00 36.28 ? ? ? ? ? . 191 ASP B CB 504 ATOM 4386 C CG . ASP B 504 191 . 38.584 73.003 1.445 1.00 36.29 ? ? ? ? ? . 191 ASP B CG 504 ATOM 4387 O OD1 . ASP B 504 191 . 37.486 73.492 1.094 1.00 33.09 ? ? ? ? ? . 191 ASP B OD1 504 ATOM 4388 O OD2 . ASP B 504 191 . 39.388 72.512 0.638 1.00 38.35 ? ? ? ? ? . 191 ASP B OD2 504 ATOM 4389 C C . ASP B 504 191 . 37.630 71.249 4.288 1.00 37.36 ? ? ? ? ? . 191 ASP B C 504 ATOM 4390 O O . ASP B 504 191 . 38.591 70.668 4.806 1.00 37.86 ? ? ? ? ? . 191 ASP B O 504 ATOM 4391 N N . GLY B 504 192 . 36.449 70.684 4.135 1.00 38.07 ? ? ? ? ? . 192 GLY B N 504 ATOM 4392 C CA . GLY B 504 192 . 36.297 69.241 3.961 1.00 38.87 ? ? ? ? ? . 192 GLY B CA 504 ATOM 4393 C C . GLY B 504 192 . 35.619 69.107 2.595 1.00 38.73 ? ? ? ? ? . 192 GLY B C 504 ATOM 4394 O O . GLY B 504 192 . 34.813 68.212 2.375 1.00 38.84 ? ? ? ? ? . 192 GLY B O 504 ATOM 4395 N N . SER B 504 193 . 35.986 70.022 1.695 1.00 38.58 ? ? ? ? ? . 193 SER B N 504 ATOM 4396 C CA . SER B 504 193 . 35.229 70.372 0.492 1.00 38.23 ? ? ? ? ? . 193 SER B CA 504 ATOM 4397 C CB . SER B 504 193 . 36.184 70.738 -0.639 1.00 37.92 ? ? ? ? ? . 193 SER B CB 504 ATOM 4398 O OG . SER B 504 193 . 36.431 72.128 -0.610 1.00 38.12 ? ? ? ? ? . 193 SER B OG 504 ATOM 4399 C C . SER B 504 193 . 34.148 69.413 0.007 1.00 38.25 ? ? ? ? ? . 193 SER B C 504 ATOM 4400 O O . SER B 504 193 . 34.441 68.324 -0.482 1.00 39.17 ? ? ? ? ? . 193 SER B O 504 ATOM 4401 N N . TYR B 504 194 . 32.899 69.842 0.150 1.00 38.05 ? ? ? ? ? . 194 TYR B N 504 ATOM 4402 C CA . TYR B 504 194 . 31.696 69.177 -0.418 1.00 37.83 ? ? ? ? ? . 194 TYR B CA 504 ATOM 4403 C CB . TYR B 504 194 . 31.444 69.571 -1.898 1.00 38.27 ? ? ? ? ? . 194 TYR B CB 504 ATOM 4404 C CG . TYR B 504 194 . 31.941 68.612 -2.979 1.00 39.99 ? ? ? ? ? . 194 TYR B CG 504 ATOM 4405 C CD1 . TYR B 504 194 . 31.095 67.610 -3.510 1.00 40.17 ? ? ? ? ? . 194 TYR B CD1 504 ATOM 4406 C CE1 . TYR B 504 194 . 31.537 66.742 -4.505 1.00 40.60 ? ? ? ? ? . 194 TYR B CE1 504 ATOM 4407 C CZ . TYR B 504 194 . 32.823 66.881 -5.004 1.00 42.20 ? ? ? ? ? . 194 TYR B CZ 504 ATOM 4408 O OH . TYR B 504 194 . 33.281 66.035 -5.988 1.00 43.05 ? ? ? ? ? . 194 TYR B OH 504 ATOM 4409 C CE2 . TYR B 504 194 . 33.673 67.868 -4.515 1.00 43.18 ? ? ? ? ? . 194 TYR B CE2 504 ATOM 4410 C CD2 . TYR B 504 194 . 33.229 68.735 -3.508 1.00 40.87 ? ? ? ? ? . 194 TYR B CD2 504 ATOM 4411 C C . TYR B 504 194 . 31.491 67.688 -0.181 1.00 37.01 ? ? ? ? ? . 194 TYR B C 504 ATOM 4412 O O . TYR B 504 194 . 32.305 66.863 -0.608 1.00 36.96 ? ? ? ? ? . 194 TYR B O 504 ATOM 4413 N N . PRO B 504 195 . 30.375 67.342 0.481 1.00 36.32 ? ? ? ? ? . 195 PRO B N 504 ATOM 4414 C CA . PRO B 504 195 . 30.091 65.943 0.772 1.00 36.59 ? ? ? ? ? . 195 PRO B CA 504 ATOM 4415 C CB . PRO B 504 195 . 29.037 66.017 1.876 1.00 36.12 ? ? ? ? ? . 195 PRO B CB 504 ATOM 4416 C CG . PRO B 504 195 . 28.390 67.335 1.667 1.00 36.49 ? ? ? ? ? . 195 PRO B CG 504 ATOM 4417 C CD . PRO B 504 195 . 29.408 68.253 1.111 1.00 35.68 ? ? ? ? ? . 195 PRO B CD 504 ATOM 4418 C C . PRO B 504 195 . 29.572 65.170 -0.443 1.00 36.91 ? ? ? ? ? . 195 PRO B C 504 ATOM 4419 O O . PRO B 504 195 . 29.042 65.769 -1.375 1.00 36.79 ? ? ? ? ? . 195 PRO B O 504 ATOM 4420 N N . LYS B 504 196 . 29.763 63.854 -0.428 1.00 37.34 ? ? ? ? ? . 196 LYS B N 504 ATOM 4421 C CA . LYS B 504 196 . 29.169 62.966 -1.417 1.00 38.24 ? ? ? ? ? . 196 LYS B CA 504 ATOM 4422 C CB . LYS B 504 196 . 30.040 62.841 -2.684 1.00 38.83 ? ? ? ? ? . 196 LYS B CB 504 ATOM 4423 C CG . LYS B 504 196 . 31.479 62.436 -2.426 1.00 41.13 ? ? ? ? ? . 196 LYS B CG 504 ATOM 4424 C CD . LYS B 504 196 . 32.155 62.000 -3.707 1.00 45.50 ? ? ? ? ? . 196 LYS B CD 504 ATOM 4425 C CE . LYS B 504 196 . 33.159 60.856 -3.459 1.00 45.52 ? ? ? ? ? . 196 LYS B CE 504 ATOM 4426 N NZ . LYS B 504 196 . 33.588 60.202 -4.752 1.00 47.14 ? ? ? ? ? . 196 LYS B NZ 504 ATOM 4427 C C . LYS B 504 196 . 28.851 61.609 -0.799 1.00 38.06 ? ? ? ? ? . 196 LYS B C 504 ATOM 4428 O O . LYS B 504 196 . 29.544 61.166 0.102 1.00 38.53 ? ? ? ? ? . 196 LYS B O 504 ATOM 4429 N N . ASP B 504 197 . 27.771 60.977 -1.265 1.00 37.83 ? ? ? ? ? . 197 ASP B N 504 ATOM 4430 C CA . ASP B 504 197 . 27.250 59.743 -0.667 1.00 37.32 ? ? ? ? ? . 197 ASP B CA 504 ATOM 4431 C CB . ASP B 504 197 . 27.963 58.506 -1.236 1.00 37.07 ? ? ? ? ? . 197 ASP B CB 504 ATOM 4432 C CG . ASP B 504 197 . 27.086 57.271 -1.204 1.00 38.35 ? ? ? ? ? . 197 ASP B CG 504 ATOM 4433 O OD1 . ASP B 504 197 . 25.843 57.430 -1.165 1.00 38.55 ? ? ? ? ? . 197 ASP B OD1 504 ATOM 4434 O OD2 . ASP B 504 197 . 27.627 56.138 -1.224 1.00 39.54 ? ? ? ? ? . 197 ASP B OD2 504 ATOM 4435 C C . ASP B 504 197 . 27.279 59.749 0.866 1.00 36.95 ? ? ? ? ? . 197 ASP B C 504 ATOM 4436 O O . ASP B 504 197 . 27.741 58.804 1.493 1.00 37.79 ? ? ? ? ? . 197 ASP B O 504 ATOM 4437 N N . LYS B 504 198 . 26.780 60.811 1.474 1.00 36.26 ? ? ? ? ? . 198 LYS B N 504 ATOM 4438 C CA . LYS B 504 198 . 26.605 60.820 2.924 1.00 35.64 ? ? ? ? ? . 198 LYS B CA 504 ATOM 4439 C CB . LYS B 504 198 . 27.932 61.142 3.637 1.00 35.94 ? ? ? ? ? . 198 LYS B CB 504 ATOM 4440 C CG . LYS B 504 198 . 28.675 62.386 3.119 1.00 36.19 ? ? ? ? ? . 198 LYS B CG 504 ATOM 4441 C CD . LYS B 504 198 . 29.809 62.816 4.070 1.00 37.11 ? ? ? ? ? . 198 LYS B CD 504 ATOM 4442 C CE . LYS B 504 198 . 29.282 63.166 5.489 1.00 38.02 ? ? ? ? ? . 198 LYS B CE 504 ATOM 4443 N NZ . LYS B 504 198 . 30.181 64.141 6.253 1.00 39.28 ? ? ? ? ? . 198 LYS B NZ 504 ATOM 4444 C C . LYS B 504 198 . 25.502 61.780 3.378 1.00 34.82 ? ? ? ? ? . 198 LYS B C 504 ATOM 4445 O O . LYS B 504 198 . 24.934 62.524 2.576 1.00 34.72 ? ? ? ? ? . 198 LYS B O 504 ATOM 4446 N N . PHE B 504 199 . 25.209 61.745 4.671 1.00 33.97 ? ? ? ? ? . 199 PHE B N 504 ATOM 4447 C CA . PHE B 504 199 . 24.344 62.723 5.296 1.00 33.26 ? ? ? ? ? . 199 PHE B CA 504 ATOM 4448 C CB . PHE B 504 199 . 23.735 62.143 6.557 1.00 33.04 ? ? ? ? ? . 199 PHE B CB 504 ATOM 4449 C CG . PHE B 504 199 . 22.504 61.342 6.312 1.00 31.74 ? ? ? ? ? . 199 PHE B CG 504 ATOM 4450 C CD1 . PHE B 504 199 . 21.259 61.957 6.278 1.00 29.33 ? ? ? ? ? . 199 PHE B CD1 504 ATOM 4451 C CE1 . PHE B 504 199 . 20.124 61.215 6.044 1.00 28.66 ? ? ? ? ? . 199 PHE B CE1 504 ATOM 4452 C CZ . PHE B 504 199 . 20.219 59.838 5.843 1.00 26.05 ? ? ? ? ? . 199 PHE B CZ 504 ATOM 4453 C CE2 . PHE B 504 199 . 21.451 59.221 5.864 1.00 26.55 ? ? ? ? ? . 199 PHE B CE2 504 ATOM 4454 C CD2 . PHE B 504 199 . 22.591 59.969 6.098 1.00 28.23 ? ? ? ? ? . 199 PHE B CD2 504 ATOM 4455 C C . PHE B 504 199 . 25.134 63.938 5.700 1.00 33.37 ? ? ? ? ? . 199 PHE B C 504 ATOM 4456 O O . PHE B 504 199 . 26.321 63.814 6.010 1.00 33.45 ? ? ? ? ? . 199 PHE B O 504 ATOM 4457 N N . GLU B 504 200 . 24.495 65.111 5.680 1.00 33.02 ? ? ? ? ? . 200 GLU B N 504 ATOM 4458 C CA . GLU B 504 200 . 25.027 66.238 6.393 1.00 33.00 ? ? ? ? ? . 200 GLU B CA 504 ATOM 4459 C CB . GLU B 504 200 . 26.094 66.961 5.605 1.00 33.42 ? ? ? ? ? . 200 GLU B CB 504 ATOM 4460 C CG . GLU B 504 200 . 27.353 67.086 6.474 1.00 35.85 ? ? ? ? ? . 200 GLU B CG 504 ATOM 4461 C CD . GLU B 504 200 . 28.519 67.670 5.745 1.00 40.16 ? ? ? ? ? . 200 GLU B CD 504 ATOM 4462 O OE1 . GLU B 504 200 . 28.298 68.303 4.684 1.00 41.94 ? ? ? ? ? . 200 GLU B OE1 504 ATOM 4463 O OE2 . GLU B 504 200 . 29.663 67.506 6.243 1.00 41.57 ? ? ? ? ? . 200 GLU B OE2 504 ATOM 4464 C C . GLU B 504 200 . 24.023 67.192 6.993 1.00 32.82 ? ? ? ? ? . 200 GLU B C 504 ATOM 4465 O O . GLU B 504 200 . 23.035 67.539 6.366 1.00 33.77 ? ? ? ? ? . 200 GLU B O 504 ATOM 4466 N N . LYS B 504 201 . 24.289 67.580 8.240 1.00 32.08 ? ? ? ? ? . 201 LYS B N 504 ATOM 4467 C CA . LYS B 504 201 . 23.579 68.628 8.954 1.00 31.29 ? ? ? ? ? . 201 LYS B CA 504 ATOM 4468 C CB . LYS B 504 201 . 23.752 68.440 10.474 1.00 31.02 ? ? ? ? ? . 201 LYS B CB 504 ATOM 4469 C CG . LYS B 504 201 . 22.561 68.873 11.318 1.00 30.48 ? ? ? ? ? . 201 LYS B CG 504 ATOM 4470 C CD . LYS B 504 201 . 22.870 68.946 12.821 1.00 30.31 ? ? ? ? ? . 201 LYS B CD 504 ATOM 4471 C CE . LYS B 504 201 . 21.572 68.774 13.615 1.00 31.49 ? ? ? ? ? . 201 LYS B CE 504 ATOM 4472 N NZ . LYS B 504 201 . 21.561 69.498 14.906 1.00 32.33 ? ? ? ? ? . 201 LYS B NZ 504 ATOM 4473 C C . LYS B 504 201 . 24.135 69.997 8.514 1.00 31.63 ? ? ? ? ? . 201 LYS B C 504 ATOM 4474 O O . LYS B 504 201 . 25.358 70.240 8.523 1.00 30.87 ? ? ? ? ? . 201 LYS B O 504 ATOM 4475 N N . ILE B 504 202 . 23.226 70.882 8.110 1.00 32.20 ? ? ? ? ? . 202 ILE B N 504 ATOM 4476 C CA . ILE B 504 202 . 23.564 72.217 7.624 1.00 32.68 ? ? ? ? ? . 202 ILE B CA 504 ATOM 4477 C CB . ILE B 504 202 . 23.535 72.293 6.078 1.00 32.29 ? ? ? ? ? . 202 ILE B CB 504 ATOM 4478 C CG1 . ILE B 504 202 . 24.744 71.544 5.488 1.00 31.97 ? ? ? ? ? . 202 ILE B CG1 504 ATOM 4479 C CD1 . ILE B 504 202 . 24.620 71.123 4.006 1.00 30.14 ? ? ? ? ? . 202 ILE B CD1 504 ATOM 4480 C CG2 . ILE B 504 202 . 23.545 73.734 5.644 1.00 32.12 ? ? ? ? ? . 202 ILE B CG2 504 ATOM 4481 C C . ILE B 504 202 . 22.563 73.191 8.226 1.00 33.60 ? ? ? ? ? . 202 ILE B C 504 ATOM 4482 O O . ILE B 504 202 . 21.353 73.014 8.078 1.00 33.82 ? ? ? ? ? . 202 ILE B O 504 ATOM 4483 N N . ASN B 504 203 . 23.071 74.205 8.928 1.00 34.89 ? ? ? ? ? . 203 ASN B N 504 ATOM 4484 C CA . ASN B 504 203 . 22.222 75.168 9.663 1.00 35.09 ? ? ? ? ? . 203 ASN B CA 504 ATOM 4485 C CB . ASN B 504 203 . 21.769 76.321 8.734 1.00 35.53 ? ? ? ? ? . 203 ASN B CB 504 ATOM 4486 C CG . ASN B 504 203 . 22.916 76.852 7.847 1.00 37.19 ? ? ? ? ? . 203 ASN B CG 504 ATOM 4487 O OD1 . ASN B 504 203 . 22.770 76.981 6.611 1.00 37.69 ? ? ? ? ? . 203 ASN B OD1 504 ATOM 4488 N ND2 . ASN B 504 203 . 24.071 77.130 8.472 1.00 36.90 ? ? ? ? ? . 203 ASN B ND2 504 ATOM 4489 C C . ASN B 504 203 . 21.031 74.448 10.315 1.00 34.66 ? ? ? ? ? . 203 ASN B C 504 ATOM 4490 O O . ASN B 504 203 . 19.883 74.849 10.145 1.00 34.82 ? ? ? ? ? . 203 ASN B O 504 ATOM 4491 N N . GLY B 504 204 . 21.323 73.348 11.016 1.00 34.29 ? ? ? ? ? . 204 GLY B N 504 ATOM 4492 C CA . GLY B 504 204 . 20.334 72.646 11.859 1.00 33.14 ? ? ? ? ? . 204 GLY B CA 504 ATOM 4493 C C . GLY B 504 204 . 19.463 71.567 11.217 1.00 32.15 ? ? ? ? ? . 204 GLY B C 504 ATOM 4494 O O . GLY B 504 204 . 18.714 70.873 11.915 1.00 32.16 ? ? ? ? ? . 204 GLY B O 504 ATOM 4495 N N . THR B 504 205 . 19.568 71.430 9.899 1.00 30.58 ? ? ? ? ? . 205 THR B N 504 ATOM 4496 C CA . THR B 504 205 . 18.705 70.575 9.109 1.00 28.95 ? ? ? ? ? . 205 THR B CA 504 ATOM 4497 C CB . THR B 504 205 . 18.110 71.412 7.958 1.00 29.25 ? ? ? ? ? . 205 THR B CB 504 ATOM 4498 O OG1 . THR B 504 205 . 17.266 72.445 8.492 1.00 29.32 ? ? ? ? ? . 205 THR B OG1 504 ATOM 4499 C CG2 . THR B 504 205 . 17.332 70.549 6.968 1.00 28.28 ? ? ? ? ? . 205 THR B CG2 504 ATOM 4500 C C . THR B 504 205 . 19.585 69.487 8.504 1.00 28.25 ? ? ? ? ? . 205 THR B C 504 ATOM 4501 O O . THR B 504 205 . 20.709 69.801 8.110 1.00 28.30 ? ? ? ? ? . 205 THR B O 504 ATOM 4502 N N . TRP B 504 206 . 19.092 68.239 8.403 1.00 26.53 ? ? ? ? ? . 206 TRP B N 504 ATOM 4503 C CA . TRP B 504 206 . 19.831 67.145 7.727 1.00 24.63 ? ? ? ? ? . 206 TRP B CA 504 ATOM 4504 C CB . TRP B 504 206 . 19.540 65.802 8.402 1.00 24.48 ? ? ? ? ? . 206 TRP B CB 504 ATOM 4505 C CG . TRP B 504 206 . 20.301 65.544 9.635 1.00 20.79 ? ? ? ? ? . 206 TRP B CG 504 ATOM 4506 C CD1 . TRP B 504 206 . 19.872 65.736 10.900 1.00 18.25 ? ? ? ? ? . 206 TRP B CD1 504 ATOM 4507 N NE1 . TRP B 504 206 . 20.856 65.393 11.783 1.00 21.56 ? ? ? ? ? . 206 TRP B NE1 504 ATOM 4508 C CE2 . TRP B 504 206 . 21.964 64.975 11.084 1.00 18.87 ? ? ? ? ? . 206 TRP B CE2 504 ATOM 4509 C CD2 . TRP B 504 206 . 21.646 65.061 9.721 1.00 18.67 ? ? ? ? ? . 206 TRP B CD2 504 ATOM 4510 C CE3 . TRP B 504 206 . 22.625 64.706 8.767 1.00 17.39 ? ? ? ? ? . 206 TRP B CE3 504 ATOM 4511 C CZ3 . TRP B 504 206 . 23.865 64.263 9.223 1.00 15.53 ? ? ? ? ? . 206 TRP B CZ3 504 ATOM 4512 C CH2 . TRP B 504 206 . 24.143 64.192 10.594 1.00 16.53 ? ? ? ? ? . 206 TRP B CH2 504 ATOM 4513 C CZ2 . TRP B 504 206 . 23.213 64.540 11.539 1.00 16.26 ? ? ? ? ? . 206 TRP B CZ2 504 ATOM 4514 C C . TRP B 504 206 . 19.499 66.975 6.251 1.00 24.37 ? ? ? ? ? . 206 TRP B C 504 ATOM 4515 O O . TRP B 504 206 . 18.342 66.926 5.902 1.00 23.80 ? ? ? ? ? . 206 TRP B O 504 ATOM 4516 N N . TYR B 504 207 . 20.520 66.856 5.401 1.00 24.91 ? ? ? ? ? . 207 TYR B N 504 ATOM 4517 C CA . TYR B 504 207 . 20.359 66.552 3.963 1.00 25.85 ? ? ? ? ? . 207 TYR B CA 504 ATOM 4518 C CB . TYR B 504 207 . 20.811 67.721 3.074 1.00 26.19 ? ? ? ? ? . 207 TYR B CB 504 ATOM 4519 C CG . TYR B 504 207 . 20.188 69.036 3.423 1.00 27.60 ? ? ? ? ? . 207 TYR B CG 504 ATOM 4520 C CD1 . TYR B 504 207 . 19.190 69.603 2.617 1.00 28.71 ? ? ? ? ? . 207 TYR B CD1 504 ATOM 4521 C CE1 . TYR B 504 207 . 18.606 70.822 2.942 1.00 30.14 ? ? ? ? ? . 207 TYR B CE1 504 ATOM 4522 C CZ . TYR B 504 207 . 19.021 71.474 4.096 1.00 30.54 ? ? ? ? ? . 207 TYR B CZ 504 ATOM 4523 O OH . TYR B 504 207 . 18.461 72.652 4.474 1.00 32.18 ? ? ? ? ? . 207 TYR B OH 504 ATOM 4524 C CE2 . TYR B 504 207 . 20.000 70.937 4.909 1.00 31.75 ? ? ? ? ? . 207 TYR B CE2 504 ATOM 4525 C CD2 . TYR B 504 207 . 20.585 69.719 4.570 1.00 29.81 ? ? ? ? ? . 207 TYR B CD2 504 ATOM 4526 C C . TYR B 504 207 . 21.189 65.335 3.584 1.00 26.27 ? ? ? ? ? . 207 TYR B C 504 ATOM 4527 O O . TYR B 504 207 . 21.963 64.824 4.395 1.00 27.10 ? ? ? ? ? . 207 TYR B O 504 ATOM 4528 N N . TYR B 504 208 . 21.034 64.872 2.348 1.00 26.24 ? ? ? ? ? . 208 TYR B N 504 ATOM 4529 C CA . TYR B 504 208 . 21.810 63.763 1.853 1.00 26.17 ? ? ? ? ? . 208 TYR B CA 504 ATOM 4530 C CB . TYR B 504 208 . 21.016 62.457 1.905 1.00 26.28 ? ? ? ? ? . 208 TYR B CB 504 ATOM 4531 C CG . TYR B 504 208 . 21.840 61.214 1.592 1.00 26.59 ? ? ? ? ? . 208 TYR B CG 504 ATOM 4532 C CD1 . TYR B 504 208 . 22.279 60.369 2.616 1.00 26.50 ? ? ? ? ? . 208 TYR B CD1 504 ATOM 4533 C CE1 . TYR B 504 208 . 23.053 59.245 2.338 1.00 25.81 ? ? ? ? ? . 208 TYR B CE1 504 ATOM 4534 C CZ . TYR B 504 208 . 23.385 58.975 1.017 1.00 25.78 ? ? ? ? ? . 208 TYR B CZ 504 ATOM 4535 O OH . TYR B 504 208 . 24.141 57.875 0.708 1.00 26.55 ? ? ? ? ? . 208 TYR B OH 504 ATOM 4536 C CE2 . TYR B 504 208 . 22.946 59.793 -0.012 1.00 24.51 ? ? ? ? ? . 208 TYR B CE2 504 ATOM 4537 C CD2 . TYR B 504 208 . 22.192 60.895 0.269 1.00 25.18 ? ? ? ? ? . 208 TYR B CD2 504 ATOM 4538 C C . TYR B 504 208 . 22.215 64.081 0.426 1.00 27.23 ? ? ? ? ? . 208 TYR B C 504 ATOM 4539 O O . TYR B 504 208 . 21.402 64.572 -0.395 1.00 26.73 ? ? ? ? ? . 208 TYR B O 504 ATOM 4540 N N . PHE B 504 209 . 23.487 63.781 0.148 1.00 28.04 ? ? ? ? ? . 209 PHE B N 504 ATOM 4541 C CA . PHE B 504 209 . 24.158 64.114 -1.096 1.00 28.28 ? ? ? ? ? . 209 PHE B CA 504 ATOM 4542 C CB . PHE B 504 209 . 25.393 64.960 -0.778 1.00 28.16 ? ? ? ? ? . 209 PHE B CB 504 ATOM 4543 C CG . PHE B 504 209 . 25.049 66.380 -0.363 1.00 28.35 ? ? ? ? ? . 209 PHE B CG 504 ATOM 4544 C CD1 . PHE B 504 209 . 24.817 67.374 -1.335 1.00 27.05 ? ? ? ? ? . 209 PHE B CD1 504 ATOM 4545 C CE1 . PHE B 504 209 . 24.467 68.686 -0.968 1.00 25.36 ? ? ? ? ? . 209 PHE B CE1 504 ATOM 4546 C CZ . PHE B 504 209 . 24.351 69.013 0.353 1.00 24.59 ? ? ? ? ? . 209 PHE B CZ 504 ATOM 4547 C CE2 . PHE B 504 209 . 24.564 68.019 1.345 1.00 27.30 ? ? ? ? ? . 209 PHE B CE2 504 ATOM 4548 C CD2 . PHE B 504 209 . 24.905 66.719 0.985 1.00 27.52 ? ? ? ? ? . 209 PHE B CD2 504 ATOM 4549 C C . PHE B 504 209 . 24.538 62.826 -1.760 1.00 29.08 ? ? ? ? ? . 209 PHE B C 504 ATOM 4550 O O . PHE B 504 209 . 25.109 61.936 -1.115 1.00 29.98 ? ? ? ? ? . 209 PHE B O 504 ATOM 4551 N N . ASP B 504 210 . 24.208 62.697 -3.043 1.00 29.66 ? ? ? ? ? . 210 ASP B N 504 ATOM 4552 C CA . ASP B 504 210 . 24.458 61.451 -3.770 1.00 29.77 ? ? ? ? ? . 210 ASP B CA 504 ATOM 4553 C CB . ASP B 504 210 . 23.594 61.378 -5.030 1.00 29.38 ? ? ? ? ? . 210 ASP B CB 504 ATOM 4554 C CG . ASP B 504 210 . 24.013 62.374 -6.089 1.00 30.81 ? ? ? ? ? . 210 ASP B CG 504 ATOM 4555 O OD1 . ASP B 504 210 . 25.217 62.717 -6.154 1.00 31.31 ? ? ? ? ? . 210 ASP B OD1 504 ATOM 4556 O OD2 . ASP B 504 210 . 23.144 62.804 -6.888 1.00 28.96 ? ? ? ? ? . 210 ASP B OD2 504 ATOM 4557 C C . ASP B 504 210 . 25.966 61.249 -4.069 1.00 30.00 ? ? ? ? ? . 210 ASP B C 504 ATOM 4558 O O . ASP B 504 210 . 26.796 62.076 -3.689 1.00 29.51 ? ? ? ? ? . 210 ASP B O 504 ATOM 4559 N N . GLY B 504 211 . 26.301 60.145 -4.735 1.00 30.40 ? ? ? ? ? . 211 GLY B N 504 ATOM 4560 C CA . GLY B 504 211 . 27.682 59.786 -5.010 1.00 30.94 ? ? ? ? ? . 211 GLY B CA 504 ATOM 4561 C C . GLY B 504 211 . 28.457 60.881 -5.726 1.00 31.64 ? ? ? ? ? . 211 GLY B C 504 ATOM 4562 O O . GLY B 504 211 . 29.688 60.882 -5.729 1.00 32.28 ? ? ? ? ? . 211 GLY B O 504 ATOM 4563 N N . SER B 504 212 . 27.733 61.847 -6.280 1.00 32.11 ? ? ? ? ? . 212 SER B N 504 ATOM 4564 C CA . SER B 504 212 . 28.297 62.852 -7.172 1.00 32.22 ? ? ? ? ? . 212 SER B CA 504 ATOM 4565 C CB . SER B 504 212 . 27.615 62.743 -8.541 1.00 32.37 ? ? ? ? ? . 212 SER B CB 504 ATOM 4566 O OG . SER B 504 212 . 28.225 63.602 -9.481 1.00 33.25 ? ? ? ? ? . 212 SER B OG 504 ATOM 4567 C C . SER B 504 212 . 28.141 64.263 -6.615 1.00 32.12 ? ? ? ? ? . 212 SER B C 504 ATOM 4568 O O . SER B 504 212 . 28.264 65.234 -7.334 1.00 32.25 ? ? ? ? ? . 212 SER B O 504 ATOM 4569 N N . GLY B 504 213 . 27.868 64.381 -5.328 1.00 31.97 ? ? ? ? ? . 213 GLY B N 504 ATOM 4570 C CA . GLY B 504 213 . 27.859 65.689 -4.717 1.00 31.69 ? ? ? ? ? . 213 GLY B CA 504 ATOM 4571 C C . GLY B 504 213 . 26.494 66.324 -4.644 1.00 31.63 ? ? ? ? ? . 213 GLY B C 504 ATOM 4572 O O . GLY B 504 213 . 26.327 67.339 -3.969 1.00 32.08 ? ? ? ? ? . 213 GLY B O 504 ATOM 4573 N N . TYR B 504 214 . 25.512 65.727 -5.296 1.00 31.31 ? ? ? ? ? . 214 TYR B N 504 ATOM 4574 C CA . TYR B 504 214 . 24.251 66.425 -5.492 1.00 32.05 ? ? ? ? ? . 214 TYR B CA 504 ATOM 4575 C CB . TYR B 504 214 . 23.719 66.226 -6.925 1.00 32.47 ? ? ? ? ? . 214 TYR B CB 504 ATOM 4576 C CG . TYR B 504 214 . 24.506 67.048 -7.905 1.00 35.08 ? ? ? ? ? . 214 TYR B CG 504 ATOM 4577 C CD1 . TYR B 504 214 . 24.436 68.425 -7.863 1.00 37.75 ? ? ? ? ? . 214 TYR B CD1 504 ATOM 4578 C CE1 . TYR B 504 214 . 25.169 69.196 -8.731 1.00 41.66 ? ? ? ? ? . 214 TYR B CE1 504 ATOM 4579 C CZ . TYR B 504 214 . 26.007 68.596 -9.655 1.00 42.05 ? ? ? ? ? . 214 TYR B CZ 504 ATOM 4580 O OH . TYR B 504 214 . 26.718 69.418 -10.499 1.00 45.64 ? ? ? ? ? . 214 TYR B OH 504 ATOM 4581 C CE2 . TYR B 504 214 . 26.121 67.223 -9.710 1.00 39.69 ? ? ? ? ? . 214 TYR B CE2 504 ATOM 4582 C CD2 . TYR B 504 214 . 25.376 66.456 -8.825 1.00 37.82 ? ? ? ? ? . 214 TYR B CD2 504 ATOM 4583 C C . TYR B 504 214 . 23.201 66.109 -4.461 1.00 31.70 ? ? ? ? ? . 214 TYR B C 504 ATOM 4584 O O . TYR B 504 214 . 22.965 64.946 -4.162 1.00 32.26 ? ? ? ? ? . 214 TYR B O 504 ATOM 4585 N N . MET B 504 215 . 22.570 67.147 -3.929 1.00 31.09 ? ? ? ? ? . 215 MET B N 504 ATOM 4586 C CA . MET B 504 215 . 21.500 66.992 -2.945 1.00 30.67 ? ? ? ? ? . 215 MET B CA 504 ATOM 4587 C CB . MET B 504 215 . 21.048 68.367 -2.464 1.00 29.99 ? ? ? ? ? . 215 MET B CB 504 ATOM 4588 C CG . MET B 504 215 . 20.128 68.331 -1.274 1.00 29.23 ? ? ? ? ? . 215 MET B CG 504 ATOM 4589 S SD . MET B 504 215 . 19.312 69.898 -0.959 1.00 25.73 ? ? ? ? ? . 215 MET B SD 504 ATOM 4590 C CE . MET B 504 215 . 18.195 69.993 -2.333 1.00 27.02 ? ? ? ? ? . 215 MET B CE 504 ATOM 4591 C C . MET B 504 215 . 20.298 66.174 -3.488 1.00 30.83 ? ? ? ? ? . 215 MET B C 504 ATOM 4592 O O . MET B 504 215 . 19.884 66.345 -4.641 1.00 31.36 ? ? ? ? ? . 215 MET B O 504 ATOM 4593 N N . LEU B 504 216 . 19.771 65.261 -2.674 1.00 30.31 ? ? ? ? ? . 216 LEU B N 504 ATOM 4594 C CA . LEU B 504 216 . 18.541 64.573 -3.027 1.00 29.79 ? ? ? ? ? . 216 LEU B CA 504 ATOM 4595 C CB . LEU B 504 216 . 18.393 63.239 -2.287 1.00 29.51 ? ? ? ? ? . 216 LEU B CB 504 ATOM 4596 C CG . LEU B 504 216 . 19.527 62.206 -2.327 1.00 28.59 ? ? ? ? ? . 216 LEU B CG 504 ATOM 4597 C CD1 . LEU B 504 216 . 19.035 60.902 -1.751 1.00 26.35 ? ? ? ? ? . 216 LEU B CD1 504 ATOM 4598 C CD2 . LEU B 504 216 . 20.059 62.007 -3.753 1.00 27.09 ? ? ? ? ? . 216 LEU B CD2 504 ATOM 4599 C C . LEU B 504 216 . 17.348 65.484 -2.728 1.00 30.09 ? ? ? ? ? . 216 LEU B C 504 ATOM 4600 O O . LEU B 504 216 . 17.251 66.111 -1.644 1.00 30.15 ? ? ? ? ? . 216 LEU B O 504 ATOM 4601 N N . SER B 504 217 . 16.445 65.587 -3.695 1.00 29.47 ? ? ? ? ? . 217 SER B N 504 ATOM 4602 C CA . SER B 504 217 . 15.257 66.349 -3.434 1.00 29.63 ? ? ? ? ? . 217 SER B CA 504 ATOM 4603 C CB . SER B 504 217 . 15.334 67.751 -4.034 1.00 29.16 ? ? ? ? ? . 217 SER B CB 504 ATOM 4604 O OG . SER B 504 217 . 15.425 67.675 -5.443 1.00 29.34 ? ? ? ? ? . 217 SER B OG 504 ATOM 4605 C C . SER B 504 217 . 14.056 65.595 -3.931 1.00 29.50 ? ? ? ? ? . 217 SER B C 504 ATOM 4606 O O . SER B 504 217 . 14.021 65.113 -5.062 1.00 29.31 ? ? ? ? ? . 217 SER B O 504 ATOM 4607 N N . ASP B 504 218 . 13.074 65.501 -3.049 1.00 29.66 ? ? ? ? ? . 218 ASP B N 504 ATOM 4608 C CA . ASP B 504 218 . 11.841 64.819 -3.343 1.00 29.45 ? ? ? ? ? . 218 ASP B CA 504 ATOM 4609 C CB . ASP B 504 218 . 11.088 65.565 -4.424 1.00 29.63 ? ? ? ? ? . 218 ASP B CB 504 ATOM 4610 C CG . ASP B 504 218 . 9.997 64.750 -4.999 1.00 29.97 ? ? ? ? ? . 218 ASP B CG 504 ATOM 4611 O OD1 . ASP B 504 218 . 9.343 64.035 -4.206 1.00 28.63 ? ? ? ? ? . 218 ASP B OD1 504 ATOM 4612 O OD2 . ASP B 504 218 . 9.843 64.794 -6.243 1.00 30.94 ? ? ? ? ? . 218 ASP B OD2 504 ATOM 4613 C C . ASP B 504 218 . 12.182 63.429 -3.804 1.00 29.07 ? ? ? ? ? . 218 ASP B C 504 ATOM 4614 O O . ASP B 504 218 . 12.033 63.121 -4.963 1.00 29.76 ? ? ? ? ? . 218 ASP B O 504 ATOM 4615 N N . ARG B 504 219 . 12.667 62.601 -2.887 1.00 28.41 ? ? ? ? ? . 219 ARG B N 504 ATOM 4616 C CA . ARG B 504 219 . 13.232 61.319 -3.234 1.00 27.21 ? ? ? ? ? . 219 ARG B CA 504 ATOM 4617 C CB . ARG B 504 219 . 14.620 61.558 -3.804 1.00 27.29 ? ? ? ? ? . 219 ARG B CB 504 ATOM 4618 C CG . ARG B 504 219 . 15.245 60.407 -4.547 1.00 30.29 ? ? ? ? ? . 219 ARG B CG 504 ATOM 4619 C CD . ARG B 504 219 . 16.728 60.718 -4.736 1.00 34.35 ? ? ? ? ? . 219 ARG B CD 504 ATOM 4620 N NE . ARG B 504 219 . 17.556 59.635 -5.295 1.00 37.14 ? ? ? ? ? . 219 ARG B NE 504 ATOM 4621 C CZ . ARG B 504 219 . 17.662 58.389 -4.827 1.00 38.10 ? ? ? ? ? . 219 ARG B CZ 504 ATOM 4622 N NH1 . ARG B 504 219 . 16.942 57.961 -3.805 1.00 38.81 ? ? ? ? ? . 219 ARG B NH1 504 ATOM 4623 N NH2 . ARG B 504 219 . 18.480 57.546 -5.427 1.00 40.39 ? ? ? ? ? . 219 ARG B NH2 504 ATOM 4624 C C . ARG B 504 219 . 13.296 60.410 -2.000 1.00 26.54 ? ? ? ? ? . 219 ARG B C 504 ATOM 4625 O O . ARG B 504 219 . 13.507 60.886 -0.854 1.00 25.94 ? ? ? ? ? . 219 ARG B O 504 ATOM 4626 N N . TRP B 504 220 . 13.096 59.105 -2.229 1.00 25.38 ? ? ? ? ? . 220 TRP B N 504 ATOM 4627 C CA . TRP B 504 220 . 13.324 58.097 -1.186 1.00 24.31 ? ? ? ? ? . 220 TRP B CA 504 ATOM 4628 C CB . TRP B 504 220 . 12.354 56.951 -1.356 1.00 23.97 ? ? ? ? ? . 220 TRP B CB 504 ATOM 4629 C CG . TRP B 504 220 . 10.950 57.284 -0.909 1.00 22.31 ? ? ? ? ? . 220 TRP B CG 504 ATOM 4630 C CD1 . TRP B 504 220 . 9.905 57.670 -1.692 1.00 19.63 ? ? ? ? ? . 220 TRP B CD1 504 ATOM 4631 N NE1 . TRP B 504 220 . 8.786 57.868 -0.924 1.00 19.94 ? ? ? ? ? . 220 TRP B NE1 504 ATOM 4632 C CE2 . TRP B 504 220 . 9.101 57.616 0.382 1.00 20.26 ? ? ? ? ? . 220 TRP B CE2 504 ATOM 4633 C CD2 . TRP B 504 220 . 10.462 57.242 0.426 1.00 20.82 ? ? ? ? ? . 220 TRP B CD2 504 ATOM 4634 C CE3 . TRP B 504 220 . 11.046 56.915 1.670 1.00 21.37 ? ? ? ? ? . 220 TRP B CE3 504 ATOM 4635 C CZ3 . TRP B 504 220 . 10.263 56.977 2.808 1.00 22.10 ? ? ? ? ? . 220 TRP B CZ3 504 ATOM 4636 C CH2 . TRP B 504 220 . 8.894 57.360 2.730 1.00 22.57 ? ? ? ? ? . 220 TRP B CH2 504 ATOM 4637 C CZ2 . TRP B 504 220 . 8.302 57.671 1.530 1.00 21.17 ? ? ? ? ? . 220 TRP B CZ2 504 ATOM 4638 C C . TRP B 504 220 . 14.748 57.558 -1.173 1.00 24.60 ? ? ? ? ? . 220 TRP B C 504 ATOM 4639 O O . TRP B 504 220 . 15.315 57.249 -2.224 1.00 24.21 ? ? ? ? ? . 220 TRP B O 504 ATOM 4640 N N . LYS B 504 221 . 15.333 57.436 0.015 1.00 24.93 ? ? ? ? ? . 221 LYS B N 504 ATOM 4641 C CA . LYS B 504 221 . 16.663 56.821 0.133 1.00 25.68 ? ? ? ? ? . 221 LYS B CA 504 ATOM 4642 C CB . LYS B 504 221 . 17.703 57.849 0.580 1.00 25.62 ? ? ? ? ? . 221 LYS B CB 504 ATOM 4643 C CG . LYS B 504 221 . 19.112 57.317 0.780 1.00 24.74 ? ? ? ? ? . 221 LYS B CG 504 ATOM 4644 C CD . LYS B 504 221 . 19.771 56.909 -0.543 1.00 26.23 ? ? ? ? ? . 221 LYS B CD 504 ATOM 4645 C CE . LYS B 504 221 . 21.205 56.352 -0.327 1.00 25.13 ? ? ? ? ? . 221 LYS B CE 504 ATOM 4646 N NZ . LYS B 504 221 . 21.818 56.100 -1.620 1.00 23.15 ? ? ? ? ? . 221 LYS B NZ 504 ATOM 4647 C C . LYS B 504 221 . 16.582 55.669 1.113 1.00 26.26 ? ? ? ? ? . 221 LYS B C 504 ATOM 4648 O O . LYS B 504 221 . 15.953 55.799 2.151 1.00 26.77 ? ? ? ? ? . 221 LYS B O 504 ATOM 4649 N N . LYS B 504 222 . 17.178 54.532 0.765 1.00 27.15 ? ? ? ? ? . 222 LYS B N 504 ATOM 4650 C CA . LYS B 504 222 . 17.261 53.385 1.701 1.00 27.66 ? ? ? ? ? . 222 LYS B CA 504 ATOM 4651 C CB . LYS B 504 222 . 16.949 52.040 1.031 1.00 27.75 ? ? ? ? ? . 222 LYS B CB 504 ATOM 4652 C CG . LYS B 504 222 . 16.347 51.027 1.982 1.00 28.85 ? ? ? ? ? . 222 LYS B CG 504 ATOM 4653 C CD . LYS B 504 222 . 16.522 49.587 1.493 1.00 28.90 ? ? ? ? ? . 222 LYS B CD 504 ATOM 4654 C CE . LYS B 504 222 . 16.378 48.602 2.696 1.00 28.37 ? ? ? ? ? . 222 LYS B CE 504 ATOM 4655 N NZ . LYS B 504 222 . 15.120 47.818 2.732 1.00 27.23 ? ? ? ? ? . 222 LYS B NZ 504 ATOM 4656 C C . LYS B 504 222 . 18.683 53.386 2.216 1.00 27.99 ? ? ? ? ? . 222 LYS B C 504 ATOM 4657 O O . LYS B 504 222 . 19.671 53.235 1.438 1.00 27.90 ? ? ? ? ? . 222 LYS B O 504 ATOM 4658 N N . HIS B 504 223 . 18.816 53.625 3.511 1.00 27.06 ? ? ? ? ? . 223 HIS B N 504 ATOM 4659 C CA . HIS B 504 223 . 20.133 53.884 3.990 1.00 26.24 ? ? ? ? ? . 223 HIS B CA 504 ATOM 4660 C CB . HIS B 504 223 . 20.103 54.906 5.135 1.00 26.03 ? ? ? ? ? . 223 HIS B CB 504 ATOM 4661 C CG . HIS B 504 223 . 21.447 55.490 5.480 1.00 24.35 ? ? ? ? ? . 223 HIS B CG 504 ATOM 4662 N ND1 . HIS B 504 223 . 21.787 55.857 6.765 1.00 23.33 ? ? ? ? ? . 223 HIS B ND1 504 ATOM 4663 C CE1 . HIS B 504 223 . 23.021 56.326 6.779 1.00 19.86 ? ? ? ? ? . 223 HIS B CE1 504 ATOM 4664 N NE2 . HIS B 504 223 . 23.502 56.254 5.552 1.00 19.58 ? ? ? ? ? . 223 HIS B NE2 504 ATOM 4665 C CD2 . HIS B 504 223 . 22.538 55.745 4.718 1.00 21.92 ? ? ? ? ? . 223 HIS B CD2 504 ATOM 4666 C C . HIS B 504 223 . 20.876 52.605 4.361 1.00 26.94 ? ? ? ? ? . 223 HIS B C 504 ATOM 4667 O O . HIS B 504 223 . 20.326 51.515 4.576 1.00 27.27 ? ? ? ? ? . 223 HIS B O 504 ATOM 4668 N N . THR B 504 224 . 22.180 52.772 4.400 1.00 26.99 ? ? ? ? ? . 224 THR B N 504 ATOM 4669 C CA . THR B 504 224 . 23.096 51.872 5.015 1.00 25.71 ? ? ? ? ? . 224 THR B CA 504 ATOM 4670 C CB . THR B 504 224 . 24.364 52.656 5.140 1.00 25.62 ? ? ? ? ? . 224 THR B CB 504 ATOM 4671 O OG1 . THR B 504 224 . 25.372 51.994 4.385 1.00 24.48 ? ? ? ? ? . 224 THR B OG1 504 ATOM 4672 C CG2 . THR B 504 224 . 24.763 52.925 6.648 1.00 26.16 ? ? ? ? ? . 224 THR B CG2 504 ATOM 4673 C C . THR B 504 224 . 22.667 51.293 6.389 1.00 25.57 ? ? ? ? ? . 224 THR B C 504 ATOM 4674 O O . THR B 504 224 . 23.313 50.375 6.874 1.00 25.54 ? ? ? ? ? . 224 THR B O 504 ATOM 4675 N N . ASP B 504 225 . 21.614 51.816 7.022 1.00 25.12 ? ? ? ? ? . 225 ASP B N 504 ATOM 4676 C CA . ASP B 504 225 . 21.193 51.288 8.342 1.00 25.02 ? ? ? ? ? . 225 ASP B CA 504 ATOM 4677 C CB . ASP B 504 225 . 21.062 52.384 9.406 1.00 24.07 ? ? ? ? ? . 225 ASP B CB 504 ATOM 4678 C CG . ASP B 504 225 . 20.020 53.434 9.036 1.00 24.60 ? ? ? ? ? . 225 ASP B CG 504 ATOM 4679 O OD1 . ASP B 504 225 . 19.557 53.406 7.869 1.00 24.22 ? ? ? ? ? . 225 ASP B OD1 504 ATOM 4680 O OD2 . ASP B 504 225 . 19.656 54.285 9.887 1.00 21.62 ? ? ? ? ? . 225 ASP B OD2 504 ATOM 4681 C C . ASP B 504 225 . 19.862 50.557 8.213 1.00 25.48 ? ? ? ? ? . 225 ASP B C 504 ATOM 4682 O O . ASP B 504 225 . 19.157 50.342 9.220 1.00 25.79 ? ? ? ? ? . 225 ASP B O 504 ATOM 4683 N N . GLY B 504 226 . 19.514 50.214 6.973 1.00 25.01 ? ? ? ? ? . 226 GLY B N 504 ATOM 4684 C CA . GLY B 504 226 . 18.303 49.470 6.688 1.00 24.89 ? ? ? ? ? . 226 GLY B CA 504 ATOM 4685 C C . GLY B 504 226 . 17.020 50.255 6.845 1.00 25.36 ? ? ? ? ? . 226 GLY B C 504 ATOM 4686 O O . GLY B 504 226 . 15.918 49.674 6.828 1.00 25.30 ? ? ? ? ? . 226 GLY B O 504 ATOM 4687 N N . ASN B 504 227 . 17.161 51.568 7.009 1.00 25.77 ? ? ? ? ? . 227 ASN B N 504 ATOM 4688 C CA . ASN B 504 227 . 16.024 52.474 7.126 1.00 26.08 ? ? ? ? ? . 227 ASN B CA 504 ATOM 4689 C CB . ASN B 504 227 . 16.290 53.500 8.207 1.00 26.31 ? ? ? ? ? . 227 ASN B CB 504 ATOM 4690 C CG . ASN B 504 227 . 16.160 52.920 9.616 1.00 27.48 ? ? ? ? ? . 227 ASN B CG 504 ATOM 4691 O OD1 . ASN B 504 227 . 15.093 52.453 10.024 1.00 26.86 ? ? ? ? ? . 227 ASN B OD1 504 ATOM 4692 N ND2 . ASN B 504 227 . 17.237 52.993 10.374 1.00 27.74 ? ? ? ? ? . 227 ASN B ND2 504 ATOM 4693 C C . ASN B 504 227 . 15.737 53.200 5.828 1.00 25.99 ? ? ? ? ? . 227 ASN B C 504 ATOM 4694 O O . ASN B 504 227 . 16.642 53.435 5.019 1.00 26.78 ? ? ? ? ? . 227 ASN B O 504 ATOM 4695 N N . TRP B 504 228 . 14.467 53.530 5.621 1.00 25.89 ? ? ? ? ? . 228 TRP B N 504 ATOM 4696 C CA . TRP B 504 228 . 14.059 54.395 4.525 1.00 25.34 ? ? ? ? ? . 228 TRP B CA 504 ATOM 4697 C CB . TRP B 504 228 . 12.704 53.968 3.991 1.00 25.61 ? ? ? ? ? . 228 TRP B CB 504 ATOM 4698 C CG . TRP B 504 228 . 12.771 52.768 3.141 1.00 25.54 ? ? ? ? ? . 228 TRP B CG 504 ATOM 4699 C CD1 . TRP B 504 228 . 12.527 51.468 3.523 1.00 25.68 ? ? ? ? ? . 228 TRP B CD1 504 ATOM 4700 N NE1 . TRP B 504 228 . 12.693 50.624 2.454 1.00 26.53 ? ? ? ? ? . 228 TRP B NE1 504 ATOM 4701 C CE2 . TRP B 504 228 . 13.063 51.360 1.359 1.00 26.87 ? ? ? ? ? . 228 TRP B CE2 504 ATOM 4702 C CD2 . TRP B 504 228 . 13.121 52.724 1.759 1.00 25.80 ? ? ? ? ? . 228 TRP B CD2 504 ATOM 4703 C CE3 . TRP B 504 228 . 13.484 53.696 0.818 1.00 24.95 ? ? ? ? ? . 228 TRP B CE3 504 ATOM 4704 C CZ3 . TRP B 504 228 . 13.760 53.294 -0.491 1.00 25.98 ? ? ? ? ? . 228 TRP B CZ3 504 ATOM 4705 C CH2 . TRP B 504 228 . 13.698 51.929 -0.862 1.00 27.99 ? ? ? ? ? . 228 TRP B CH2 504 ATOM 4706 C CZ2 . TRP B 504 228 . 13.341 50.950 0.049 1.00 26.82 ? ? ? ? ? . 228 TRP B CZ2 504 ATOM 4707 C C . TRP B 504 228 . 13.982 55.840 4.994 1.00 25.53 ? ? ? ? ? . 228 TRP B C 504 ATOM 4708 O O . TRP B 504 228 . 13.437 56.129 6.099 1.00 25.56 ? ? ? ? ? . 228 TRP B O 504 ATOM 4709 N N . TYR B 504 229 . 14.532 56.727 4.153 1.00 24.86 ? ? ? ? ? . 229 TYR B N 504 ATOM 4710 C CA . TYR B 504 229 . 14.526 58.183 4.370 1.00 24.46 ? ? ? ? ? . 229 TYR B CA 504 ATOM 4711 C CB . TYR B 504 229 . 15.947 58.703 4.554 1.00 23.97 ? ? ? ? ? . 229 TYR B CB 504 ATOM 4712 C CG . TYR B 504 229 . 16.532 58.218 5.835 1.00 23.79 ? ? ? ? ? . 229 TYR B CG 504 ATOM 4713 C CD1 . TYR B 504 229 . 16.312 58.910 7.029 1.00 24.37 ? ? ? ? ? . 229 TYR B CD1 504 ATOM 4714 C CE1 . TYR B 504 229 . 16.848 58.443 8.241 1.00 25.12 ? ? ? ? ? . 229 TYR B CE1 504 ATOM 4715 C CZ . TYR B 504 229 . 17.584 57.265 8.240 1.00 23.98 ? ? ? ? ? . 229 TYR B CZ 504 ATOM 4716 O OH . TYR B 504 229 . 18.093 56.779 9.402 1.00 26.27 ? ? ? ? ? . 229 TYR B OH 504 ATOM 4717 C CE2 . TYR B 504 229 . 17.813 56.572 7.069 1.00 23.72 ? ? ? ? ? . 229 TYR B CE2 504 ATOM 4718 C CD2 . TYR B 504 229 . 17.275 57.037 5.877 1.00 23.44 ? ? ? ? ? . 229 TYR B CD2 504 ATOM 4719 C C . TYR B 504 229 . 13.845 58.937 3.244 1.00 24.22 ? ? ? ? ? . 229 TYR B C 504 ATOM 4720 O O . TYR B 504 229 . 13.991 58.561 2.102 1.00 25.06 ? ? ? ? ? . 229 TYR B O 504 ATOM 4721 N N . TYR B 504 230 . 13.059 59.962 3.568 1.00 24.33 ? ? ? ? ? . 230 TYR B N 504 ATOM 4722 C CA . TYR B 504 230 . 12.523 60.846 2.539 1.00 24.20 ? ? ? ? ? . 230 TYR B CA 504 ATOM 4723 C CB . TYR B 504 230 . 10.998 60.879 2.532 1.00 23.51 ? ? ? ? ? . 230 TYR B CB 504 ATOM 4724 C CG . TYR B 504 230 . 10.462 61.778 1.421 1.00 22.14 ? ? ? ? ? . 230 TYR B CG 504 ATOM 4725 C CD1 . TYR B 504 230 . 10.326 61.304 0.110 1.00 20.98 ? ? ? ? ? . 230 TYR B CD1 504 ATOM 4726 C CE1 . TYR B 504 230 . 9.851 62.117 -0.902 1.00 20.20 ? ? ? ? ? . 230 TYR B CE1 504 ATOM 4727 C CZ . TYR B 504 230 . 9.518 63.437 -0.605 1.00 22.35 ? ? ? ? ? . 230 TYR B CZ 504 ATOM 4728 O OH . TYR B 504 230 . 9.031 64.280 -1.586 1.00 23.33 ? ? ? ? ? . 230 TYR B OH 504 ATOM 4729 C CE2 . TYR B 504 230 . 9.659 63.935 0.685 1.00 21.98 ? ? ? ? ? . 230 TYR B CE2 504 ATOM 4730 C CD2 . TYR B 504 230 . 10.129 63.105 1.680 1.00 21.46 ? ? ? ? ? . 230 TYR B CD2 504 ATOM 4731 C C . TYR B 504 230 . 13.060 62.272 2.648 1.00 24.66 ? ? ? ? ? . 230 TYR B C 504 ATOM 4732 O O . TYR B 504 230 . 13.145 62.824 3.752 1.00 24.58 ? ? ? ? ? . 230 TYR B O 504 ATOM 4733 N N . PHE B 504 231 . 13.385 62.842 1.486 1.00 24.93 ? ? ? ? ? . 231 PHE B N 504 ATOM 4734 C CA . PHE B 504 231 . 13.889 64.203 1.334 1.00 25.78 ? ? ? ? ? . 231 PHE B CA 504 ATOM 4735 C CB . PHE B 504 231 . 15.253 64.142 0.677 1.00 26.12 ? ? ? ? ? . 231 PHE B CB 504 ATOM 4736 C CG . PHE B 504 231 . 16.228 63.344 1.447 1.00 27.79 ? ? ? ? ? . 231 PHE B CG 504 ATOM 4737 C CD1 . PHE B 504 231 . 16.752 63.842 2.637 1.00 29.06 ? ? ? ? ? . 231 PHE B CD1 504 ATOM 4738 C CE1 . PHE B 504 231 . 17.650 63.104 3.370 1.00 30.83 ? ? ? ? ? . 231 PHE B CE1 504 ATOM 4739 C CZ . PHE B 504 231 . 18.033 61.842 2.926 1.00 31.92 ? ? ? ? ? . 231 PHE B CZ 504 ATOM 4740 C CE2 . PHE B 504 231 . 17.511 61.330 1.732 1.00 30.49 ? ? ? ? ? . 231 PHE B CE2 504 ATOM 4741 C CD2 . PHE B 504 231 . 16.601 62.083 1.011 1.00 29.65 ? ? ? ? ? . 231 PHE B CD2 504 ATOM 4742 C C . PHE B 504 231 . 12.985 65.025 0.456 1.00 25.94 ? ? ? ? ? . 231 PHE B C 504 ATOM 4743 O O . PHE B 504 231 . 12.810 64.656 -0.722 1.00 25.39 ? ? ? ? ? . 231 PHE B O 504 ATOM 4744 N N . ASP B 504 232 . 12.432 66.127 0.997 1.00 26.24 ? ? ? ? ? . 232 ASP B N 504 ATOM 4745 C CA . ASP B 504 232 . 11.403 66.906 0.265 1.00 27.07 ? ? ? ? ? . 232 ASP B CA 504 ATOM 4746 C CB . ASP B 504 232 . 10.538 67.795 1.169 1.00 26.42 ? ? ? ? ? . 232 ASP B CB 504 ATOM 4747 C CG . ASP B 504 232 . 11.329 68.831 1.919 1.00 27.05 ? ? ? ? ? . 232 ASP B CG 504 ATOM 4748 O OD1 . ASP B 504 232 . 12.363 69.307 1.429 1.00 28.10 ? ? ? ? ? . 232 ASP B OD1 504 ATOM 4749 O OD2 . ASP B 504 232 . 10.901 69.186 3.026 1.00 27.54 ? ? ? ? ? . 232 ASP B OD2 504 ATOM 4750 C C . ASP B 504 232 . 11.982 67.655 -0.922 1.00 28.05 ? ? ? ? ? . 232 ASP B C 504 ATOM 4751 O O . ASP B 504 232 . 13.183 67.621 -1.123 1.00 28.61 ? ? ? ? ? . 232 ASP B O 504 ATOM 4752 N N . GLN B 504 233 . 11.149 68.301 -1.736 1.00 29.42 ? ? ? ? ? . 233 GLN B N 504 ATOM 4753 C CA . GLN B 504 233 . 11.686 68.990 -2.902 1.00 30.63 ? ? ? ? ? . 233 GLN B CA 504 ATOM 4754 C CB . GLN B 504 233 . 10.612 69.682 -3.738 1.00 31.05 ? ? ? ? ? . 233 GLN B CB 504 ATOM 4755 C CG . GLN B 504 233 . 11.070 69.956 -5.216 1.00 34.92 ? ? ? ? ? . 233 GLN B CG 504 ATOM 4756 C CD . GLN B 504 233 . 10.125 69.328 -6.260 1.00 40.58 ? ? ? ? ? . 233 GLN B CD 504 ATOM 4757 O OE1 . GLN B 504 233 . 8.923 69.154 -6.010 1.00 43.50 ? ? ? ? ? . 233 GLN B OE1 504 ATOM 4758 N NE2 . GLN B 504 233 . 10.669 68.979 -7.425 1.00 41.33 ? ? ? ? ? . 233 GLN B NE2 504 ATOM 4759 C C . GLN B 504 233 . 12.783 69.950 -2.507 1.00 30.47 ? ? ? ? ? . 233 GLN B C 504 ATOM 4760 O O . GLN B 504 233 . 13.755 70.119 -3.244 1.00 30.86 ? ? ? ? ? . 233 GLN B O 504 ATOM 4761 N N . SER B 504 234 . 12.661 70.529 -1.313 1.00 30.66 ? ? ? ? ? . 234 SER B N 504 ATOM 4762 C CA . SER B 504 234 . 13.692 71.431 -0.788 1.00 30.52 ? ? ? ? ? . 234 SER B CA 504 ATOM 4763 C CB . SER B 504 234 . 13.156 72.233 0.382 1.00 30.78 ? ? ? ? ? . 234 SER B CB 504 ATOM 4764 O OG . SER B 504 234 . 13.718 71.729 1.589 1.00 32.10 ? ? ? ? ? . 234 SER B OG 504 ATOM 4765 C C . SER B 504 234 . 14.936 70.701 -0.304 1.00 30.10 ? ? ? ? ? . 234 SER B C 504 ATOM 4766 O O . SER B 504 234 . 15.958 71.344 -0.076 1.00 30.59 ? ? ? ? ? . 234 SER B O 504 ATOM 4767 N N . GLY B 504 235 . 14.830 69.389 -0.078 1.00 29.35 ? ? ? ? ? . 235 GLY B N 504 ATOM 4768 C CA . GLY B 504 235 . 15.956 68.586 0.398 1.00 28.86 ? ? ? ? ? . 235 GLY B CA 504 ATOM 4769 C C . GLY B 504 235 . 15.989 68.246 1.876 1.00 28.83 ? ? ? ? ? . 235 GLY B C 504 ATOM 4770 O O . GLY B 504 235 . 16.852 67.497 2.307 1.00 29.56 ? ? ? ? ? . 235 GLY B O 504 ATOM 4771 N N . GLU B 504 236 . 15.047 68.764 2.658 1.00 28.60 ? ? ? ? ? . 236 GLU B N 504 ATOM 4772 C CA . GLU B 504 236 . 14.997 68.480 4.084 1.00 28.51 ? ? ? ? ? . 236 GLU B CA 504 ATOM 4773 C CB . GLU B 504 236 . 13.997 69.411 4.759 1.00 29.13 ? ? ? ? ? . 236 GLU B CB 504 ATOM 4774 C CG . GLU B 504 236 . 14.068 69.427 6.264 1.00 31.36 ? ? ? ? ? . 236 GLU B CG 504 ATOM 4775 C CD . GLU B 504 236 . 13.345 70.632 6.873 1.00 36.75 ? ? ? ? ? . 236 GLU B CD 504 ATOM 4776 O OE1 . GLU B 504 236 . 12.123 70.798 6.619 1.00 39.22 ? ? ? ? ? . 236 GLU B OE1 504 ATOM 4777 O OE2 . GLU B 504 236 . 13.998 71.411 7.615 1.00 38.32 ? ? ? ? ? . 236 GLU B OE2 504 ATOM 4778 C C . GLU B 504 236 . 14.606 67.017 4.363 1.00 28.26 ? ? ? ? ? . 236 GLU B C 504 ATOM 4779 O O . GLU B 504 236 . 13.584 66.509 3.828 1.00 27.81 ? ? ? ? ? . 236 GLU B O 504 ATOM 4780 N N . MET B 504 237 . 15.436 66.353 5.188 1.00 26.90 ? ? ? ? ? . 237 MET B N 504 ATOM 4781 C CA . MET B 504 237 . 15.132 65.023 5.710 1.00 25.29 ? ? ? ? ? . 237 MET B CA 504 ATOM 4782 C CB . MET B 504 237 . 16.219 64.547 6.672 1.00 25.02 ? ? ? ? ? . 237 MET B CB 504 ATOM 4783 C CG . MET B 504 237 . 15.805 63.337 7.509 1.00 24.10 ? ? ? ? ? . 237 MET B CG 504 ATOM 4784 S SD . MET B 504 237 . 16.975 62.671 8.727 1.00 23.82 ? ? ? ? ? . 237 MET B SD 504 ATOM 4785 C CE . MET B 504 237 . 17.095 64.002 9.904 1.00 16.81 ? ? ? ? ? . 237 MET B CE 504 ATOM 4786 C C . MET B 504 237 . 13.810 65.064 6.446 1.00 24.28 ? ? ? ? ? . 237 MET B C 504 ATOM 4787 O O . MET B 504 237 . 13.649 65.851 7.356 1.00 24.29 ? ? ? ? ? . 237 MET B O 504 ATOM 4788 N N . ALA B 504 238 . 12.879 64.207 6.054 1.00 23.49 ? ? ? ? ? . 238 ALA B N 504 ATOM 4789 C CA . ALA B 504 238 . 11.557 64.197 6.648 1.00 23.03 ? ? ? ? ? . 238 ALA B CA 504 ATOM 4790 C CB . ALA B 504 238 . 10.568 63.441 5.776 1.00 22.01 ? ? ? ? ? . 238 ALA B CB 504 ATOM 4791 C C . ALA B 504 238 . 11.570 63.673 8.075 1.00 23.57 ? ? ? ? ? . 238 ALA B C 504 ATOM 4792 O O . ALA B 504 238 . 12.420 62.877 8.456 1.00 24.26 ? ? ? ? ? . 238 ALA B O 504 ATOM 4793 N N . THR B 504 239 . 10.592 64.124 8.845 1.00 24.40 ? ? ? ? ? . 239 THR B N 504 ATOM 4794 C CA . THR B 504 239 . 10.530 63.978 10.263 1.00 25.19 ? ? ? ? ? . 239 THR B CA 504 ATOM 4795 C CB . THR B 504 239 . 11.362 65.093 10.891 1.00 25.98 ? ? ? ? ? . 239 THR B CB 504 ATOM 4796 O OG1 . THR B 504 239 . 12.727 64.657 11.046 1.00 26.67 ? ? ? ? ? . 239 THR B OG1 504 ATOM 4797 C CG2 . THR B 504 239 . 10.760 65.624 12.239 1.00 26.01 ? ? ? ? ? . 239 THR B CG2 504 ATOM 4798 C C . THR B 504 239 . 9.064 64.183 10.601 1.00 26.17 ? ? ? ? ? . 239 THR B C 504 ATOM 4799 O O . THR B 504 239 . 8.441 65.122 10.093 1.00 26.88 ? ? ? ? ? . 239 THR B O 504 ATOM 4800 N N . GLY B 504 240 . 8.510 63.313 11.447 1.00 26.52 ? ? ? ? ? . 240 GLY B N 504 ATOM 4801 C CA . GLY B 504 240 . 7.113 63.399 11.849 1.00 26.95 ? ? ? ? ? . 240 GLY B CA 504 ATOM 4802 C C . GLY B 504 240 . 6.254 62.837 10.751 1.00 27.51 ? ? ? ? ? . 240 GLY B C 504 ATOM 4803 O O . GLY B 504 240 . 6.782 62.146 9.865 1.00 28.18 ? ? ? ? ? . 240 GLY B O 504 ATOM 4804 N N . TRP B 504 241 . 4.947 63.139 10.795 1.00 27.25 ? ? ? ? ? . 241 TRP B N 504 ATOM 4805 C CA . TRP B 504 241 . 4.011 62.771 9.725 1.00 27.20 ? ? ? ? ? . 241 TRP B CA 504 ATOM 4806 C CB . TRP B 504 241 . 2.554 62.981 10.183 1.00 27.08 ? ? ? ? ? . 241 TRP B CB 504 ATOM 4807 C CG . TRP B 504 241 . 2.116 61.967 11.213 1.00 27.65 ? ? ? ? ? . 241 TRP B CG 504 ATOM 4808 C CD1 . TRP B 504 241 . 2.087 62.128 12.601 1.00 28.14 ? ? ? ? ? . 241 TRP B CD1 504 ATOM 4809 N NE1 . TRP B 504 241 . 1.677 60.970 13.210 1.00 27.53 ? ? ? ? ? . 241 TRP B NE1 504 ATOM 4810 C CE2 . TRP B 504 241 . 1.426 60.030 12.240 1.00 28.28 ? ? ? ? ? . 241 TRP B CE2 504 ATOM 4811 C CD2 . TRP B 504 241 . 1.704 60.627 10.968 1.00 26.70 ? ? ? ? ? . 241 TRP B CD2 504 ATOM 4812 C CE3 . TRP B 504 241 . 1.541 59.864 9.810 1.00 24.87 ? ? ? ? ? . 241 TRP B CE3 504 ATOM 4813 C CZ3 . TRP B 504 241 . 1.087 58.560 9.928 1.00 24.90 ? ? ? ? ? . 241 TRP B CZ3 504 ATOM 4814 C CH2 . TRP B 504 241 . 0.807 57.992 11.210 1.00 27.84 ? ? ? ? ? . 241 TRP B CH2 504 ATOM 4815 C CZ2 . TRP B 504 241 . 0.977 58.707 12.367 1.00 27.27 ? ? ? ? ? . 241 TRP B CZ2 504 ATOM 4816 C C . TRP B 504 241 . 4.284 63.528 8.415 1.00 27.22 ? ? ? ? ? . 241 TRP B C 504 ATOM 4817 O O . TRP B 504 241 . 4.688 64.678 8.439 1.00 27.84 ? ? ? ? ? . 241 TRP B O 504 ATOM 4818 N N . LYS B 504 242 . 4.063 62.893 7.273 1.00 27.24 ? ? ? ? ? . 242 LYS B N 504 ATOM 4819 C CA . LYS B 504 242 . 4.267 63.559 5.976 1.00 27.68 ? ? ? ? ? . 242 LYS B CA 504 ATOM 4820 C CB . LYS B 504 242 . 5.755 63.552 5.577 1.00 27.69 ? ? ? ? ? . 242 LYS B CB 504 ATOM 4821 C CG . LYS B 504 242 . 6.519 64.859 5.721 1.00 29.85 ? ? ? ? ? . 242 LYS B CG 504 ATOM 4822 C CD . LYS B 504 242 . 7.094 65.293 4.322 1.00 34.80 ? ? ? ? ? . 242 LYS B CD 504 ATOM 4823 C CE . LYS B 504 242 . 8.165 66.417 4.393 1.00 37.96 ? ? ? ? ? . 242 LYS B CE 504 ATOM 4824 N NZ . LYS B 504 242 . 7.645 67.826 4.424 1.00 37.60 ? ? ? ? ? . 242 LYS B NZ 504 ATOM 4825 C C . LYS B 504 242 . 3.453 62.845 4.895 1.00 27.76 ? ? ? ? ? . 242 LYS B C 504 ATOM 4826 O O . LYS B 504 242 . 3.669 61.655 4.667 1.00 27.70 ? ? ? ? ? . 242 LYS B O 504 ATOM 4827 N N . LYS B 504 243 . 2.514 63.552 4.257 1.00 27.94 ? ? ? ? ? . 243 LYS B N 504 ATOM 4828 C CA . LYS B 504 243 . 1.789 63.023 3.082 1.00 28.59 ? ? ? ? ? . 243 LYS B CA 504 ATOM 4829 C CB . LYS B 504 243 . 0.502 63.821 2.787 1.00 28.74 ? ? ? ? ? . 243 LYS B CB 504 ATOM 4830 C CG . LYS B 504 243 . -0.544 63.106 1.942 1.00 28.85 ? ? ? ? ? . 243 LYS B CG 504 ATOM 4831 C CD . LYS B 504 243 . -1.962 63.732 2.136 1.00 30.52 ? ? ? ? ? . 243 LYS B CD 504 ATOM 4832 C CE . LYS B 504 243 . -3.073 62.761 1.644 1.00 33.14 ? ? ? ? ? . 243 LYS B CE 504 ATOM 4833 N NZ . LYS B 504 243 . -4.492 63.322 1.594 1.00 33.94 ? ? ? ? ? . 243 LYS B NZ 504 ATOM 4834 C C . LYS B 504 243 . 2.699 63.091 1.868 1.00 28.85 ? ? ? ? ? . 243 LYS B C 504 ATOM 4835 O O . LYS B 504 243 . 3.231 64.157 1.523 1.00 29.58 ? ? ? ? ? . 243 LYS B O 504 ATOM 4836 N N . ILE B 504 244 . 2.867 61.951 1.225 1.00 28.64 ? ? ? ? ? . 244 ILE B N 504 ATOM 4837 C CA . ILE B 504 244 . 3.798 61.816 0.145 1.00 28.85 ? ? ? ? ? . 244 ILE B CA 504 ATOM 4838 C CB . ILE B 504 244 . 5.122 61.172 0.628 1.00 28.92 ? ? ? ? ? . 244 ILE B CB 504 ATOM 4839 C CG1 . ILE B 504 244 . 5.605 61.835 1.934 1.00 27.59 ? ? ? ? ? . 244 ILE B CG1 504 ATOM 4840 C CD1 . ILE B 504 244 . 6.888 61.243 2.497 1.00 26.89 ? ? ? ? ? . 244 ILE B CD1 504 ATOM 4841 C CG2 . ILE B 504 244 . 6.187 61.207 -0.468 1.00 26.51 ? ? ? ? ? . 244 ILE B CG2 504 ATOM 4842 C C . ILE B 504 244 . 3.133 60.943 -0.911 1.00 29.98 ? ? ? ? ? . 244 ILE B C 504 ATOM 4843 O O . ILE B 504 244 . 2.877 59.736 -0.688 1.00 30.33 ? ? ? ? ? . 244 ILE B O 504 ATOM 4844 N N . ALA B 504 245 . 2.845 61.565 -2.063 1.00 30.49 ? ? ? ? ? . 245 ALA B N 504 ATOM 4845 C CA . ALA B 504 245 . 2.118 60.912 -3.149 1.00 30.65 ? ? ? ? ? . 245 ALA B CA 504 ATOM 4846 C CB . ALA B 504 245 . 2.975 59.810 -3.818 1.00 30.17 ? ? ? ? ? . 245 ALA B CB 504 ATOM 4847 C C . ALA B 504 245 . 0.810 60.341 -2.615 1.00 30.62 ? ? ? ? ? . 245 ALA B C 504 ATOM 4848 O O . ALA B 504 245 . 0.478 59.202 -2.889 1.00 31.35 ? ? ? ? ? . 245 ALA B O 504 ATOM 4849 N N . ASP B 504 246 . 0.099 61.145 -1.831 1.00 30.68 ? ? ? ? ? . 246 ASP B N 504 ATOM 4850 C CA . ASP B 504 246 . -1.271 60.861 -1.394 1.00 31.07 ? ? ? ? ? . 246 ASP B CA 504 ATOM 4851 C CB . ASP B 504 246 . -2.203 60.690 -2.604 1.00 31.65 ? ? ? ? ? . 246 ASP B CB 504 ATOM 4852 C CG . ASP B 504 246 . -3.655 61.148 -2.311 1.00 33.81 ? ? ? ? ? . 246 ASP B CG 504 ATOM 4853 O OD1 . ASP B 504 246 . -3.877 62.122 -1.532 1.00 32.07 ? ? ? ? ? . 246 ASP B OD1 504 ATOM 4854 O OD2 . ASP B 504 246 . -4.575 60.502 -2.870 1.00 37.08 ? ? ? ? ? . 246 ASP B OD2 504 ATOM 4855 C C . ASP B 504 246 . -1.399 59.710 -0.379 1.00 30.56 ? ? ? ? ? . 246 ASP B C 504 ATOM 4856 O O . ASP B 504 246 . -2.435 59.049 -0.277 1.00 30.24 ? ? ? ? ? . 246 ASP B O 504 ATOM 4857 N N . LYS B 504 247 . -0.326 59.513 0.392 1.00 30.39 ? ? ? ? ? . 247 LYS B N 504 ATOM 4858 C CA . LYS B 504 247 . -0.229 58.483 1.428 1.00 29.71 ? ? ? ? ? . 247 LYS B CA 504 ATOM 4859 C CB . LYS B 504 247 . 0.425 57.225 0.858 1.00 29.97 ? ? ? ? ? . 247 LYS B CB 504 ATOM 4860 C CG . LYS B 504 247 . -0.543 56.255 0.193 1.00 30.69 ? ? ? ? ? . 247 LYS B CG 504 ATOM 4861 C CD . LYS B 504 247 . 0.218 55.209 -0.586 1.00 34.46 ? ? ? ? ? . 247 LYS B CD 504 ATOM 4862 C CE . LYS B 504 247 . -0.625 54.593 -1.686 1.00 36.79 ? ? ? ? ? . 247 LYS B CE 504 ATOM 4863 N NZ . LYS B 504 247 . -0.058 53.273 -2.118 1.00 37.81 ? ? ? ? ? . 247 LYS B NZ 504 ATOM 4864 C C . LYS B 504 247 . 0.578 58.982 2.620 1.00 28.88 ? ? ? ? ? . 247 LYS B C 504 ATOM 4865 O O . LYS B 504 247 . 1.630 59.586 2.427 1.00 28.41 ? ? ? ? ? . 247 LYS B O 504 ATOM 4866 N N . TRP B 504 248 . 0.092 58.717 3.839 1.00 27.72 ? ? ? ? ? . 248 TRP B N 504 ATOM 4867 C CA . TRP B 504 248 . 0.811 59.117 5.061 1.00 26.94 ? ? ? ? ? . 248 TRP B CA 504 ATOM 4868 C CB . TRP B 504 248 . -0.122 59.272 6.237 1.00 26.67 ? ? ? ? ? . 248 TRP B CB 504 ATOM 4869 C CG . TRP B 504 248 . -0.994 60.441 6.170 1.00 27.47 ? ? ? ? ? . 248 TRP B CG 504 ATOM 4870 C CD1 . TRP B 504 248 . -2.295 60.459 5.795 1.00 26.51 ? ? ? ? ? . 248 TRP B CD1 504 ATOM 4871 N NE1 . TRP B 504 248 . -2.787 61.731 5.852 1.00 27.84 ? ? ? ? ? . 248 TRP B NE1 504 ATOM 4872 C CE2 . TRP B 504 248 . -1.807 62.567 6.317 1.00 28.82 ? ? ? ? ? . 248 TRP B CE2 504 ATOM 4873 C CD2 . TRP B 504 248 . -0.654 61.784 6.515 1.00 29.74 ? ? ? ? ? . 248 TRP B CD2 504 ATOM 4874 C CE3 . TRP B 504 248 . 0.509 62.403 6.978 1.00 30.21 ? ? ? ? ? . 248 TRP B CE3 504 ATOM 4875 C CZ3 . TRP B 504 248 . 0.481 63.768 7.204 1.00 30.68 ? ? ? ? ? . 248 TRP B CZ3 504 ATOM 4876 C CH2 . TRP B 504 248 . -0.685 64.517 6.995 1.00 30.15 ? ? ? ? ? . 248 TRP B CH2 504 ATOM 4877 C CZ2 . TRP B 504 248 . -1.837 63.932 6.567 1.00 28.91 ? ? ? ? ? . 248 TRP B CZ2 504 ATOM 4878 C C . TRP B 504 248 . 1.919 58.162 5.498 1.00 26.53 ? ? ? ? ? . 248 TRP B C 504 ATOM 4879 O O . TRP B 504 248 . 1.824 56.950 5.310 1.00 25.75 ? ? ? ? ? . 248 TRP B O 504 ATOM 4880 N N . TYR B 504 249 . 2.958 58.752 6.099 1.00 25.93 ? ? ? ? ? . 249 TYR B N 504 ATOM 4881 C CA . TYR B 504 249 . 4.107 58.056 6.662 1.00 24.65 ? ? ? ? ? . 249 TYR B CA 504 ATOM 4882 C CB . TYR B 504 249 . 5.285 58.167 5.711 1.00 24.50 ? ? ? ? ? . 249 TYR B CB 504 ATOM 4883 C CG . TYR B 504 249 . 5.041 57.574 4.355 1.00 24.32 ? ? ? ? ? . 249 TYR B CG 504 ATOM 4884 C CD1 . TYR B 504 249 . 5.376 56.237 4.093 1.00 23.96 ? ? ? ? ? . 249 TYR B CD1 504 ATOM 4885 C CE1 . TYR B 504 249 . 5.157 55.672 2.824 1.00 24.02 ? ? ? ? ? . 249 TYR B CE1 504 ATOM 4886 C CZ . TYR B 504 249 . 4.608 56.467 1.816 1.00 23.66 ? ? ? ? ? . 249 TYR B CZ 504 ATOM 4887 O OH . TYR B 504 249 . 4.389 55.924 0.572 1.00 24.74 ? ? ? ? ? . 249 TYR B OH 504 ATOM 4888 C CE2 . TYR B 504 249 . 4.279 57.803 2.056 1.00 22.62 ? ? ? ? ? . 249 TYR B CE2 504 ATOM 4889 C CD2 . TYR B 504 249 . 4.488 58.344 3.319 1.00 22.67 ? ? ? ? ? . 249 TYR B CD2 504 ATOM 4890 C C . TYR B 504 249 . 4.482 58.810 7.904 1.00 24.20 ? ? ? ? ? . 249 TYR B C 504 ATOM 4891 O O . TYR B 504 249 . 4.411 60.035 7.894 1.00 24.39 ? ? ? ? ? . 249 TYR B O 504 ATOM 4892 N N . TYR B 504 250 . 4.858 58.084 8.960 1.00 23.84 ? ? ? ? ? . 250 TYR B N 504 ATOM 4893 C CA . TYR B 504 250 . 5.512 58.643 10.123 1.00 23.53 ? ? ? ? ? . 250 TYR B CA 504 ATOM 4894 C CB . TYR B 504 250 . 4.838 58.172 11.391 1.00 24.25 ? ? ? ? ? . 250 TYR B CB 504 ATOM 4895 C CG . TYR B 504 250 . 5.411 58.767 12.668 1.00 25.63 ? ? ? ? ? . 250 TYR B CG 504 ATOM 4896 C CD1 . TYR B 504 250 . 4.971 60.018 13.162 1.00 27.98 ? ? ? ? ? . 250 TYR B CD1 504 ATOM 4897 C CE1 . TYR B 504 250 . 5.504 60.553 14.355 1.00 28.66 ? ? ? ? ? . 250 TYR B CE1 504 ATOM 4898 C CZ . TYR B 504 250 . 6.459 59.818 15.049 1.00 30.77 ? ? ? ? ? . 250 TYR B CZ 504 ATOM 4899 O OH . TYR B 504 250 . 7.041 60.288 16.210 1.00 33.73 ? ? ? ? ? . 250 TYR B OH 504 ATOM 4900 C CE2 . TYR B 504 250 . 6.885 58.584 14.578 1.00 29.58 ? ? ? ? ? . 250 TYR B CE2 504 ATOM 4901 C CD2 . TYR B 504 250 . 6.369 58.074 13.394 1.00 27.35 ? ? ? ? ? . 250 TYR B CD2 504 ATOM 4902 C C . TYR B 504 250 . 6.986 58.295 10.163 1.00 23.67 ? ? ? ? ? . 250 TYR B C 504 ATOM 4903 O O . TYR B 504 250 . 7.371 57.151 9.918 1.00 23.13 ? ? ? ? ? . 250 TYR B O 504 ATOM 4904 N N . PHE B 504 251 . 7.812 59.311 10.457 1.00 24.20 ? ? ? ? ? . 251 PHE B N 504 ATOM 4905 C CA . PHE B 504 251 . 9.279 59.182 10.556 1.00 22.85 ? ? ? ? ? . 251 PHE B CA 504 ATOM 4906 C CB . PHE B 504 251 . 9.936 60.176 9.640 1.00 21.75 ? ? ? ? ? . 251 PHE B CB 504 ATOM 4907 C CG . PHE B 504 251 . 9.759 59.883 8.191 1.00 18.69 ? ? ? ? ? . 251 PHE B CG 504 ATOM 4908 C CD1 . PHE B 504 251 . 10.549 58.967 7.558 1.00 14.91 ? ? ? ? ? . 251 PHE B CD1 504 ATOM 4909 C CE1 . PHE B 504 251 . 10.376 58.683 6.182 1.00 15.40 ? ? ? ? ? . 251 PHE B CE1 504 ATOM 4910 C CZ . PHE B 504 251 . 9.444 59.366 5.423 1.00 13.29 ? ? ? ? ? . 251 PHE B CZ 504 ATOM 4911 C CE2 . PHE B 504 251 . 8.660 60.307 6.044 1.00 17.53 ? ? ? ? ? . 251 PHE B CE2 504 ATOM 4912 C CD2 . PHE B 504 251 . 8.825 60.558 7.452 1.00 18.30 ? ? ? ? ? . 251 PHE B CD2 504 ATOM 4913 C C . PHE B 504 251 . 9.734 59.488 11.970 1.00 23.96 ? ? ? ? ? . 251 PHE B C 504 ATOM 4914 O O . PHE B 504 251 . 9.351 60.515 12.555 1.00 24.93 ? ? ? ? ? . 251 PHE B O 504 ATOM 4915 N N . ASP B 504 252 . 10.553 58.611 12.545 1.00 24.42 ? ? ? ? ? . 252 ASP B N 504 ATOM 4916 C CA . ASP B 504 252 . 11.054 58.880 13.875 1.00 24.63 ? ? ? ? ? . 252 ASP B CA 504 ATOM 4917 C CB . ASP B 504 252 . 11.954 57.742 14.413 1.00 24.74 ? ? ? ? ? . 252 ASP B CB 504 ATOM 4918 C CG . ASP B 504 252 . 13.338 57.652 13.720 1.00 26.04 ? ? ? ? ? . 252 ASP B CG 504 ATOM 4919 O OD1 . ASP B 504 252 . 13.722 58.569 12.964 1.00 26.20 ? ? ? ? ? . 252 ASP B OD1 504 ATOM 4920 O OD2 . ASP B 504 252 . 14.053 56.635 13.928 1.00 26.71 ? ? ? ? ? . 252 ASP B OD2 504 ATOM 4921 C C . ASP B 504 252 . 11.774 60.237 13.896 1.00 24.99 ? ? ? ? ? . 252 ASP B C 504 ATOM 4922 O O . ASP B 504 252 . 12.170 60.805 12.841 1.00 24.41 ? ? ? ? ? . 252 ASP B O 504 ATOM 4923 N N . VAL B 504 253 . 11.953 60.738 15.109 1.00 25.35 ? ? ? ? ? . 253 VAL B N 504 ATOM 4924 C CA . VAL B 504 253 . 12.640 61.985 15.325 1.00 25.50 ? ? ? ? ? . 253 VAL B CA 504 ATOM 4925 C CB . VAL B 504 253 . 12.735 62.289 16.823 1.00 25.25 ? ? ? ? ? . 253 VAL B CB 504 ATOM 4926 C CG1 . VAL B 504 253 . 13.999 61.708 17.438 1.00 23.73 ? ? ? ? ? . 253 VAL B CG1 504 ATOM 4927 C CG2 . VAL B 504 253 . 12.648 63.790 17.040 1.00 26.77 ? ? ? ? ? . 253 VAL B CG2 504 ATOM 4928 C C . VAL B 504 253 . 14.003 62.066 14.616 1.00 26.04 ? ? ? ? ? . 253 VAL B C 504 ATOM 4929 O O . VAL B 504 253 . 14.464 63.160 14.323 1.00 26.09 ? ? ? ? ? . 253 VAL B O 504 ATOM 4930 N N . GLU B 504 254 . 14.629 60.919 14.338 1.00 26.99 ? ? ? ? ? . 254 GLU B N 504 ATOM 4931 C CA . GLU B 504 254 . 15.899 60.871 13.590 1.00 27.83 ? ? ? ? ? . 254 GLU B CA 504 ATOM 4932 C CB . GLU B 504 254 . 16.866 59.871 14.222 1.00 28.80 ? ? ? ? ? . 254 GLU B CB 504 ATOM 4933 C CG . GLU B 504 254 . 17.142 60.063 15.731 1.00 33.43 ? ? ? ? ? . 254 GLU B CG 504 ATOM 4934 C CD . GLU B 504 254 . 18.307 61.033 16.028 1.00 40.35 ? ? ? ? ? . 254 GLU B CD 504 ATOM 4935 O OE1 . GLU B 504 254 . 18.810 61.709 15.092 1.00 43.05 ? ? ? ? ? . 254 GLU B OE1 504 ATOM 4936 O OE2 . GLU B 504 254 . 18.714 61.130 17.213 1.00 43.17 ? ? ? ? ? . 254 GLU B OE2 504 ATOM 4937 C C . GLU B 504 254 . 15.709 60.567 12.090 1.00 27.15 ? ? ? ? ? . 254 GLU B C 504 ATOM 4938 O O . GLU B 504 254 . 16.668 60.260 11.384 1.00 27.12 ? ? ? ? ? . 254 GLU B O 504 ATOM 4939 N N . GLY B 504 255 . 14.467 60.650 11.610 1.00 26.54 ? ? ? ? ? . 255 GLY B N 504 ATOM 4940 C CA . GLY B 504 255 . 14.211 60.635 10.184 1.00 25.77 ? ? ? ? ? . 255 GLY B CA 504 ATOM 4941 C C . GLY B 504 255 . 13.936 59.278 9.570 1.00 25.43 ? ? ? ? ? . 255 GLY B C 504 ATOM 4942 O O . GLY B 504 255 . 13.471 59.198 8.427 1.00 26.14 ? ? ? ? ? . 255 GLY B O 504 ATOM 4943 N N . ALA B 504 256 . 14.217 58.210 10.306 1.00 24.33 ? ? ? ? ? . 256 ALA B N 504 ATOM 4944 C CA . ALA B 504 256 . 14.015 56.869 9.786 1.00 23.38 ? ? ? ? ? . 256 ALA B CA 504 ATOM 4945 C CB . ALA B 504 256 . 14.739 55.863 10.633 1.00 23.20 ? ? ? ? ? . 256 ALA B CB 504 ATOM 4946 C C . ALA B 504 256 . 12.519 56.586 9.788 1.00 23.11 ? ? ? ? ? . 256 ALA B C 504 ATOM 4947 O O . ALA B 504 256 . 11.833 56.807 10.798 1.00 22.54 ? ? ? ? ? . 256 ALA B O 504 ATOM 4948 N N . MET B 504 257 . 12.023 56.126 8.643 1.00 22.64 ? ? ? ? ? . 257 MET B N 504 ATOM 4949 C CA . MET B 504 257 . 10.628 55.743 8.503 1.00 22.82 ? ? ? ? ? . 257 MET B CA 504 ATOM 4950 C CB . MET B 504 257 . 10.337 55.348 7.074 1.00 22.83 ? ? ? ? ? . 257 MET B CB 504 ATOM 4951 C CG . MET B 504 257 . 8.903 55.049 6.770 1.00 23.97 ? ? ? ? ? . 257 MET B CG 504 ATOM 4952 S SD . MET B 504 257 . 8.815 53.919 5.354 1.00 27.05 ? ? ? ? ? . 257 MET B SD 504 ATOM 4953 C CE . MET B 504 257 . 8.926 52.319 6.183 1.00 26.57 ? ? ? ? ? . 257 MET B CE 504 ATOM 4954 C C . MET B 504 257 . 10.331 54.587 9.427 1.00 23.54 ? ? ? ? ? . 257 MET B C 504 ATOM 4955 O O . MET B 504 257 . 11.159 53.637 9.559 1.00 23.43 ? ? ? ? ? . 257 MET B O 504 ATOM 4956 N N . LYS B 504 258 . 9.172 54.682 10.085 1.00 23.68 ? ? ? ? ? . 258 LYS B N 504 ATOM 4957 C CA . LYS B 504 258 . 8.718 53.669 11.012 1.00 24.04 ? ? ? ? ? . 258 LYS B CA 504 ATOM 4958 C CB . LYS B 504 258 . 8.188 54.312 12.300 1.00 24.74 ? ? ? ? ? . 258 LYS B CB 504 ATOM 4959 C CG . LYS B 504 258 . 9.252 54.614 13.353 1.00 26.89 ? ? ? ? ? . 258 LYS B CG 504 ATOM 4960 C CD . LYS B 504 258 . 8.644 54.873 14.758 1.00 30.09 ? ? ? ? ? . 258 LYS B CD 504 ATOM 4961 C CE . LYS B 504 258 . 8.549 53.589 15.603 1.00 33.08 ? ? ? ? ? . 258 LYS B CE 504 ATOM 4962 N NZ . LYS B 504 258 . 8.677 53.847 17.075 1.00 32.66 ? ? ? ? ? . 258 LYS B NZ 504 ATOM 4963 C C . LYS B 504 258 . 7.649 52.801 10.356 1.00 23.82 ? ? ? ? ? . 258 LYS B C 504 ATOM 4964 O O . LYS B 504 258 . 6.876 53.283 9.539 1.00 23.41 ? ? ? ? ? . 258 LYS B O 504 ATOM 4965 N N . THR B 504 259 . 7.640 51.517 10.714 1.00 23.76 ? ? ? ? ? . 259 THR B N 504 ATOM 4966 C CA . THR B 504 259 . 6.575 50.574 10.375 1.00 24.22 ? ? ? ? ? . 259 THR B CA 504 ATOM 4967 C CB . THR B 504 259 . 7.127 49.312 9.723 1.00 24.37 ? ? ? ? ? . 259 THR B CB 504 ATOM 4968 O OG1 . THR B 504 259 . 8.053 48.665 10.614 1.00 24.76 ? ? ? ? ? . 259 THR B OG1 504 ATOM 4969 C CG2 . THR B 504 259 . 7.860 49.626 8.409 1.00 25.73 ? ? ? ? ? . 259 THR B CG2 504 ATOM 4970 C C . THR B 504 259 . 5.850 50.171 11.676 1.00 24.80 ? ? ? ? ? . 259 THR B C 504 ATOM 4971 O O . THR B 504 259 . 6.336 50.441 12.796 1.00 25.01 ? ? ? ? ? . 259 THR B O 504 ATOM 4972 N N . GLY B 504 260 . 4.682 49.554 11.550 1.00 24.66 ? ? ? ? ? . 260 GLY B N 504 ATOM 4973 C CA . GLY B 504 260 . 3.982 49.083 12.739 1.00 25.65 ? ? ? ? ? . 260 GLY B CA 504 ATOM 4974 C C . GLY B 504 260 . 3.204 50.147 13.497 1.00 26.22 ? ? ? ? ? . 260 GLY B C 504 ATOM 4975 O O . GLY B 504 260 . 2.797 51.162 12.931 1.00 25.96 ? ? ? ? ? . 260 GLY B O 504 ATOM 4976 N N . TRP B 504 261 . 2.996 49.908 14.789 1.00 26.78 ? ? ? ? ? . 261 TRP B N 504 ATOM 4977 C CA . TRP B 504 261 . 2.180 50.805 15.618 1.00 27.07 ? ? ? ? ? . 261 TRP B CA 504 ATOM 4978 C CB . TRP B 504 261 . 1.737 50.088 16.893 1.00 26.05 ? ? ? ? ? . 261 TRP B CB 504 ATOM 4979 C CG . TRP B 504 261 . 0.812 48.971 16.579 1.00 24.40 ? ? ? ? ? . 261 TRP B CG 504 ATOM 4980 C CD1 . TRP B 504 261 . 1.122 47.642 16.502 1.00 21.42 ? ? ? ? ? . 261 TRP B CD1 504 ATOM 4981 N NE1 . TRP B 504 261 . 0.000 46.916 16.171 1.00 19.78 ? ? ? ? ? . 261 TRP B NE1 504 ATOM 4982 C CE2 . TRP B 504 261 . -1.059 47.768 16.000 1.00 21.34 ? ? ? ? ? . 261 TRP B CE2 504 ATOM 4983 C CD2 . TRP B 504 261 . -0.588 49.081 16.252 1.00 22.24 ? ? ? ? ? . 261 TRP B CD2 504 ATOM 4984 C CE3 . TRP B 504 261 . -1.481 50.159 16.145 1.00 19.49 ? ? ? ? ? . 261 TRP B CE3 504 ATOM 4985 C CZ3 . TRP B 504 261 . -2.805 49.901 15.783 1.00 19.39 ? ? ? ? ? . 261 TRP B CZ3 504 ATOM 4986 C CH2 . TRP B 504 261 . -3.248 48.583 15.529 1.00 19.44 ? ? ? ? ? . 261 TRP B CH2 504 ATOM 4987 C CZ2 . TRP B 504 261 . -2.387 47.504 15.622 1.00 20.03 ? ? ? ? ? . 261 TRP B CZ2 504 ATOM 4988 C C . TRP B 504 261 . 2.977 52.052 15.958 1.00 28.32 ? ? ? ? ? . 261 TRP B C 504 ATOM 4989 O O . TRP B 504 261 . 4.204 51.941 16.183 1.00 29.15 ? ? ? ? ? . 261 TRP B O 504 ATOM 4990 N N . VAL B 504 262 . 2.305 53.219 15.915 1.00 28.68 ? ? ? ? ? . 262 VAL B N 504 ATOM 4991 C CA . VAL B 504 262 . 2.800 54.472 16.529 1.00 28.65 ? ? ? ? ? . 262 VAL B CA 504 ATOM 4992 C CB . VAL B 504 262 . 3.380 55.497 15.520 1.00 28.78 ? ? ? ? ? . 262 VAL B CB 504 ATOM 4993 C CG1 . VAL B 504 262 . 4.522 54.891 14.696 1.00 28.05 ? ? ? ? ? . 262 VAL B CG1 504 ATOM 4994 C CG2 . VAL B 504 262 . 2.279 56.078 14.651 1.00 29.16 ? ? ? ? ? . 262 VAL B CG2 504 ATOM 4995 C C . VAL B 504 262 . 1.744 55.202 17.353 1.00 28.71 ? ? ? ? ? . 262 VAL B C 504 ATOM 4996 O O . VAL B 504 262 . 0.551 55.159 17.047 1.00 28.72 ? ? ? ? ? . 262 VAL B O 504 ATOM 4997 N N . LYS B 504 263 . 2.213 55.873 18.398 1.00 29.05 ? ? ? ? ? . 263 LYS B N 504 ATOM 4998 C CA . LYS B 504 263 . 1.393 56.729 19.239 1.00 29.44 ? ? ? ? ? . 263 LYS B CA 504 ATOM 4999 C CB . LYS B 504 263 . 2.020 56.794 20.636 1.00 29.82 ? ? ? ? ? . 263 LYS B CB 504 ATOM 5000 C CG . LYS B 504 263 . 1.078 57.231 21.753 1.00 31.85 ? ? ? ? ? . 263 LYS B CG 504 ATOM 5001 C CD . LYS B 504 263 . -0.259 56.529 21.678 1.00 33.81 ? ? ? ? ? . 263 LYS B CD 504 ATOM 5002 C CE . LYS B 504 263 . -1.211 57.067 22.702 1.00 36.12 ? ? ? ? ? . 263 LYS B CE 504 ATOM 5003 N NZ . LYS B 504 263 . -2.581 57.108 22.120 1.00 37.27 ? ? ? ? ? . 263 LYS B NZ 504 ATOM 5004 C C . LYS B 504 263 . 1.312 58.142 18.664 1.00 28.96 ? ? ? ? ? . 263 LYS B C 504 ATOM 5005 O O . LYS B 504 263 . 2.312 58.826 18.552 1.00 28.58 ? ? ? ? ? . 263 LYS B O 504 ATOM 5006 N N . TYR B 504 264 . 0.125 58.589 18.313 1.00 28.79 ? ? ? ? ? . 264 TYR B N 504 ATOM 5007 C CA . TYR B 504 264 . -0.009 59.965 17.959 1.00 29.53 ? ? ? ? ? . 264 TYR B CA 504 ATOM 5008 C CB . TYR B 504 264 . -0.267 60.130 16.456 1.00 30.06 ? ? ? ? ? . 264 TYR B CB 504 ATOM 5009 C CG . TYR B 504 264 . -0.655 61.532 16.042 1.00 30.95 ? ? ? ? ? . 264 TYR B CG 504 ATOM 5010 C CD1 . TYR B 504 264 . 0.321 62.500 15.720 1.00 33.27 ? ? ? ? ? . 264 TYR B CD1 504 ATOM 5011 C CE1 . TYR B 504 264 . -0.065 63.821 15.332 1.00 33.87 ? ? ? ? ? . 264 TYR B CE1 504 ATOM 5012 C CZ . TYR B 504 264 . -1.432 64.133 15.279 1.00 34.13 ? ? ? ? ? . 264 TYR B CZ 504 ATOM 5013 O OH . TYR B 504 264 . -1.859 65.383 14.923 1.00 35.66 ? ? ? ? ? . 264 TYR B OH 504 ATOM 5014 C CE2 . TYR B 504 264 . -2.399 63.185 15.594 1.00 33.18 ? ? ? ? ? . 264 TYR B CE2 504 ATOM 5015 C CD2 . TYR B 504 264 . -2.007 61.902 15.974 1.00 32.42 ? ? ? ? ? . 264 TYR B CD2 504 ATOM 5016 C C . TYR B 504 264 . -1.113 60.588 18.788 1.00 29.86 ? ? ? ? ? . 264 TYR B C 504 ATOM 5017 O O . TYR B 504 264 . -2.290 60.291 18.602 1.00 30.40 ? ? ? ? ? . 264 TYR B O 504 ATOM 5018 N N . LYS B 504 265 . -0.722 61.468 19.701 1.00 30.13 ? ? ? ? ? . 265 LYS B N 504 ATOM 5019 C CA . LYS B 504 265 . -1.665 62.141 20.584 1.00 30.01 ? ? ? ? ? . 265 LYS B CA 504 ATOM 5020 C CB . LYS B 504 265 . -2.586 63.071 19.803 1.00 30.06 ? ? ? ? ? . 265 LYS B CB 504 ATOM 5021 C CG . LYS B 504 265 . -1.876 64.372 19.418 1.00 29.99 ? ? ? ? ? . 265 LYS B CG 504 ATOM 5022 C CD . LYS B 504 265 . -2.674 65.218 18.462 1.00 28.81 ? ? ? ? ? . 265 LYS B CD 504 ATOM 5023 C CE . LYS B 504 265 . -2.148 66.606 18.455 1.00 28.54 ? ? ? ? ? . 265 LYS B CE 504 ATOM 5024 N NZ . LYS B 504 265 . -0.674 66.556 18.276 1.00 31.71 ? ? ? ? ? . 265 LYS B NZ 504 ATOM 5025 C C . LYS B 504 265 . -2.456 61.176 21.451 1.00 30.31 ? ? ? ? ? . 265 LYS B C 504 ATOM 5026 O O . LYS B 504 265 . -1.851 60.419 22.236 1.00 30.20 ? ? ? ? ? . 265 LYS B O 504 ATOM 5027 N N . ASP B 504 266 . -3.787 61.212 21.324 1.00 30.23 ? ? ? ? ? . 266 ASP B N 504 ATOM 5028 C CA . ASP B 504 266 . -4.662 60.397 22.180 1.00 30.35 ? ? ? ? ? . 266 ASP B CA 504 ATOM 5029 C CB . ASP B 504 266 . -5.983 61.119 22.468 1.00 30.38 ? ? ? ? ? . 266 ASP B CB 504 ATOM 5030 C CG . ASP B 504 266 . -6.986 60.967 21.343 1.00 32.54 ? ? ? ? ? . 266 ASP B CG 504 ATOM 5031 O OD1 . ASP B 504 266 . -6.679 61.374 20.195 1.00 32.81 ? ? ? ? ? . 266 ASP B OD1 504 ATOM 5032 O OD2 . ASP B 504 266 . -8.092 60.435 21.609 1.00 35.88 ? ? ? ? ? . 266 ASP B OD2 504 ATOM 5033 C C . ASP B 504 266 . -4.926 58.994 21.603 1.00 30.05 ? ? ? ? ? . 266 ASP B C 504 ATOM 5034 O O . ASP B 504 266 . -5.596 58.155 22.223 1.00 30.05 ? ? ? ? ? . 266 ASP B O 504 ATOM 5035 N N . THR B 504 267 . -4.373 58.725 20.426 1.00 29.54 ? ? ? ? ? . 267 THR B N 504 ATOM 5036 C CA . THR B 504 267 . -4.722 57.508 19.721 1.00 28.34 ? ? ? ? ? . 267 THR B CA 504 ATOM 5037 C CB . THR B 504 267 . -5.768 57.825 18.722 1.00 28.45 ? ? ? ? ? . 267 THR B CB 504 ATOM 5038 O OG1 . THR B 504 267 . -6.193 56.605 18.142 1.00 31.71 ? ? ? ? ? . 267 THR B OG1 504 ATOM 5039 C CG2 . THR B 504 267 . -5.224 58.778 17.648 1.00 27.56 ? ? ? ? ? . 267 THR B CG2 504 ATOM 5040 C C . THR B 504 267 . -3.545 56.803 19.047 1.00 27.52 ? ? ? ? ? . 267 THR B C 504 ATOM 5041 O O . THR B 504 267 . -2.377 57.207 19.190 1.00 27.80 ? ? ? ? ? . 267 THR B O 504 ATOM 5042 N N . TRP B 504 268 . -3.856 55.726 18.332 1.00 26.34 ? ? ? ? ? . 268 TRP B N 504 ATOM 5043 C CA . TRP B 504 268 . -2.836 54.899 17.677 1.00 24.96 ? ? ? ? ? . 268 TRP B CA 504 ATOM 5044 C CB . TRP B 504 268 . -2.861 53.481 18.226 1.00 24.86 ? ? ? ? ? . 268 TRP B CB 504 ATOM 5045 C CG . TRP B 504 268 . -2.356 53.341 19.629 1.00 23.14 ? ? ? ? ? . 268 TRP B CG 504 ATOM 5046 C CD1 . TRP B 504 268 . -3.094 53.389 20.783 1.00 23.43 ? ? ? ? ? . 268 TRP B CD1 504 ATOM 5047 N NE1 . TRP B 504 268 . -2.270 53.209 21.872 1.00 22.31 ? ? ? ? ? . 268 TRP B NE1 504 ATOM 5048 C CE2 . TRP B 504 268 . -0.990 53.012 21.429 1.00 21.08 ? ? ? ? ? . 268 TRP B CE2 504 ATOM 5049 C CD2 . TRP B 504 268 . -1.009 53.091 20.021 1.00 20.84 ? ? ? ? ? . 268 TRP B CD2 504 ATOM 5050 C CE3 . TRP B 504 268 . 0.184 52.936 19.321 1.00 20.62 ? ? ? ? ? . 268 TRP B CE3 504 ATOM 5051 C CZ3 . TRP B 504 268 . 1.349 52.713 20.031 1.00 22.72 ? ? ? ? ? . 268 TRP B CZ3 504 ATOM 5052 C CH2 . TRP B 504 268 . 1.340 52.644 21.437 1.00 21.75 ? ? ? ? ? . 268 TRP B CH2 504 ATOM 5053 C CZ2 . TRP B 504 268 . 0.178 52.791 22.146 1.00 20.97 ? ? ? ? ? . 268 TRP B CZ2 504 ATOM 5054 C C . TRP B 504 268 . -3.077 54.804 16.192 1.00 24.48 ? ? ? ? ? . 268 TRP B C 504 ATOM 5055 O O . TRP B 504 268 . -4.231 54.848 15.743 1.00 23.70 ? ? ? ? ? . 268 TRP B O 504 ATOM 5056 N N . TYR B 504 269 . -1.979 54.646 15.447 1.00 24.01 ? ? ? ? ? . 269 TYR B N 504 ATOM 5057 C CA . TYR B 504 269 . -2.014 54.441 14.005 1.00 23.41 ? ? ? ? ? . 269 TYR B CA 504 ATOM 5058 C CB . TYR B 504 269 . -1.440 55.655 13.292 1.00 23.81 ? ? ? ? ? . 269 TYR B CB 504 ATOM 5059 C CG . TYR B 504 269 . -2.361 56.851 13.274 1.00 24.37 ? ? ? ? ? . 269 TYR B CG 504 ATOM 5060 C CD1 . TYR B 504 269 . -3.238 57.054 12.223 1.00 23.55 ? ? ? ? ? . 269 TYR B CD1 504 ATOM 5061 C CE1 . TYR B 504 269 . -4.071 58.140 12.201 1.00 25.16 ? ? ? ? ? . 269 TYR B CE1 504 ATOM 5062 C CZ . TYR B 504 269 . -4.051 59.055 13.245 1.00 26.84 ? ? ? ? ? . 269 TYR B CZ 504 ATOM 5063 O OH . TYR B 504 269 . -4.901 60.157 13.230 1.00 29.89 ? ? ? ? ? . 269 TYR B OH 504 ATOM 5064 C CE2 . TYR B 504 269 . -3.187 58.879 14.301 1.00 26.70 ? ? ? ? ? . 269 TYR B CE2 504 ATOM 5065 C CD2 . TYR B 504 269 . -2.339 57.783 14.306 1.00 25.32 ? ? ? ? ? . 269 TYR B CD2 504 ATOM 5066 C C . TYR B 504 269 . -1.168 53.237 13.652 1.00 23.62 ? ? ? ? ? . 269 TYR B C 504 ATOM 5067 O O . TYR B 504 269 . -0.233 52.874 14.399 1.00 23.55 ? ? ? ? ? . 269 TYR B O 504 ATOM 5068 N N . TYR B 504 270 . -1.480 52.609 12.519 1.00 23.30 ? ? ? ? ? . 270 TYR B N 504 ATOM 5069 C CA . TYR B 504 270 . -0.686 51.483 12.089 1.00 23.23 ? ? ? ? ? . 270 TYR B CA 504 ATOM 5070 C CB . TYR B 504 270 . -1.455 50.157 12.254 1.00 22.36 ? ? ? ? ? . 270 TYR B CB 504 ATOM 5071 C CG . TYR B 504 270 . -0.615 48.934 11.921 1.00 23.55 ? ? ? ? ? . 270 TYR B CG 504 ATOM 5072 C CD1 . TYR B 504 270 . 0.185 48.302 12.888 1.00 23.74 ? ? ? ? ? . 270 TYR B CD1 504 ATOM 5073 C CE1 . TYR B 504 270 . 0.971 47.200 12.558 1.00 20.93 ? ? ? ? ? . 270 TYR B CE1 504 ATOM 5074 C CZ . TYR B 504 270 . 0.975 46.738 11.247 1.00 21.75 ? ? ? ? ? . 270 TYR B CZ 504 ATOM 5075 O OH . TYR B 504 270 . 1.738 45.670 10.822 1.00 20.74 ? ? ? ? ? . 270 TYR B OH 504 ATOM 5076 C CE2 . TYR B 504 270 . 0.207 47.358 10.303 1.00 21.81 ? ? ? ? ? . 270 TYR B CE2 504 ATOM 5077 C CD2 . TYR B 504 270 . -0.584 48.433 10.632 1.00 21.82 ? ? ? ? ? . 270 TYR B CD2 504 ATOM 5078 C C . TYR B 504 270 . -0.119 51.724 10.674 1.00 23.98 ? ? ? ? ? . 270 TYR B C 504 ATOM 5079 O O . TYR B 504 270 . -0.812 52.206 9.773 1.00 24.41 ? ? ? ? ? . 270 TYR B O 504 ATOM 5080 N N . LEU B 504 271 . 1.156 51.398 10.497 1.00 24.47 ? ? ? ? ? . 271 LEU B N 504 ATOM 5081 C CA . LEU B 504 271 . 1.895 51.677 9.264 1.00 24.62 ? ? ? ? ? . 271 LEU B CA 504 ATOM 5082 C CB . LEU B 504 271 . 3.081 52.573 9.600 1.00 23.59 ? ? ? ? ? . 271 LEU B CB 504 ATOM 5083 C CG . LEU B 504 271 . 2.564 53.938 10.037 1.00 22.78 ? ? ? ? ? . 271 LEU B CG 504 ATOM 5084 C CD1 . LEU B 504 271 . 2.974 54.281 11.448 1.00 22.91 ? ? ? ? ? . 271 LEU B CD1 504 ATOM 5085 C CD2 . LEU B 504 271 . 3.035 54.955 9.069 1.00 22.83 ? ? ? ? ? . 271 LEU B CD2 504 ATOM 5086 C C . LEU B 504 271 . 2.369 50.358 8.695 1.00 25.82 ? ? ? ? ? . 271 LEU B C 504 ATOM 5087 O O . LEU B 504 271 . 3.022 49.599 9.402 1.00 26.79 ? ? ? ? ? . 271 LEU B O 504 ATOM 5088 N N . ASP B 504 272 . 2.008 50.066 7.449 1.00 26.95 ? ? ? ? ? . 272 ASP B N 504 ATOM 5089 C CA . ASP B 504 272 . 2.291 48.789 6.820 1.00 28.26 ? ? ? ? ? . 272 ASP B CA 504 ATOM 5090 C CB . ASP B 504 272 . 2.164 48.943 5.309 1.00 28.45 ? ? ? ? ? . 272 ASP B CB 504 ATOM 5091 C CG . ASP B 504 272 . 2.128 47.621 4.590 1.00 29.88 ? ? ? ? ? . 272 ASP B CG 504 ATOM 5092 O OD1 . ASP B 504 272 . 1.280 46.785 4.943 1.00 31.84 ? ? ? ? ? . 272 ASP B OD1 504 ATOM 5093 O OD2 . ASP B 504 272 . 2.938 47.415 3.660 1.00 32.45 ? ? ? ? ? . 272 ASP B OD2 504 ATOM 5094 C C . ASP B 504 272 . 3.707 48.381 7.173 1.00 29.47 ? ? ? ? ? . 272 ASP B C 504 ATOM 5095 O O . ASP B 504 272 . 4.579 49.250 7.354 1.00 30.51 ? ? ? ? ? . 272 ASP B O 504 ATOM 5096 N N . ALA B 504 273 . 3.966 47.084 7.287 1.00 30.13 ? ? ? ? ? . 273 ALA B N 504 ATOM 5097 C CA . ALA B 504 273 . 5.313 46.675 7.631 1.00 30.98 ? ? ? ? ? . 273 ALA B CA 504 ATOM 5098 C CB . ALA B 504 273 . 5.338 45.317 8.336 1.00 30.86 ? ? ? ? ? . 273 ALA B CB 504 ATOM 5099 C C . ALA B 504 273 . 6.066 46.618 6.344 1.00 31.72 ? ? ? ? ? . 273 ALA B C 504 ATOM 5100 O O . ALA B 504 273 . 7.285 46.611 6.343 1.00 32.57 ? ? ? ? ? . 273 ALA B O 504 ATOM 5101 N N . LYS B 504 274 . 5.333 46.618 5.242 1.00 32.63 ? ? ? ? ? . 274 LYS B N 504 ATOM 5102 C CA . LYS B 504 274 . 5.931 46.380 3.937 1.00 34.22 ? ? ? ? ? . 274 LYS B CA 504 ATOM 5103 C CB . LYS B 504 274 . 4.993 45.497 3.072 1.00 34.75 ? ? ? ? ? . 274 LYS B CB 504 ATOM 5104 C CG . LYS B 504 274 . 5.646 44.280 2.393 1.00 36.61 ? ? ? ? ? . 274 LYS B CG 504 ATOM 5105 C CD . LYS B 504 274 . 5.856 43.098 3.390 1.00 41.14 ? ? ? ? ? . 274 LYS B CD 504 ATOM 5106 C CE . LYS B 504 274 . 5.632 41.706 2.733 1.00 42.42 ? ? ? ? ? . 274 LYS B CE 504 ATOM 5107 N NZ . LYS B 504 274 . 6.101 41.703 1.290 1.00 44.48 ? ? ? ? ? . 274 LYS B NZ 504 ATOM 5108 C C . LYS B 504 274 . 6.271 47.728 3.267 1.00 34.58 ? ? ? ? ? . 274 LYS B C 504 ATOM 5109 O O . LYS B 504 274 . 7.436 48.144 3.272 1.00 34.79 ? ? ? ? ? . 274 LYS B O 504 ATOM 5110 N N . GLU B 504 275 . 5.257 48.423 2.731 1.00 34.47 ? ? ? ? ? . 275 GLU B N 504 ATOM 5111 C CA . GLU B 504 275 . 5.472 49.694 2.054 1.00 34.03 ? ? ? ? ? . 275 GLU B CA 504 ATOM 5112 C CB . GLU B 504 275 . 4.414 49.895 0.988 1.00 34.79 ? ? ? ? ? . 275 GLU B CB 504 ATOM 5113 C CG . GLU B 504 275 . 4.196 48.667 0.080 1.00 39.35 ? ? ? ? ? . 275 GLU B CG 504 ATOM 5114 C CD . GLU B 504 275 . 5.160 48.563 -1.129 1.00 44.00 ? ? ? ? ? . 275 GLU B CD 504 ATOM 5115 O OE1 . GLU B 504 275 . 5.442 49.601 -1.791 1.00 44.02 ? ? ? ? ? . 275 GLU B OE1 504 ATOM 5116 O OE2 . GLU B 504 275 . 5.593 47.412 -1.430 1.00 45.07 ? ? ? ? ? . 275 GLU B OE2 504 ATOM 5117 C C . GLU B 504 275 . 5.527 50.916 2.993 1.00 32.88 ? ? ? ? ? . 275 GLU B C 504 ATOM 5118 O O . GLU B 504 275 . 5.964 51.976 2.569 1.00 33.56 ? ? ? ? ? . 275 GLU B O 504 ATOM 5119 N N . GLY B 504 276 . 5.083 50.799 4.246 1.00 31.04 ? ? ? ? ? . 276 GLY B N 504 ATOM 5120 C CA . GLY B 504 276 . 5.274 51.884 5.201 1.00 28.61 ? ? ? ? ? . 276 GLY B CA 504 ATOM 5121 C C . GLY B 504 276 . 4.104 52.823 5.370 1.00 27.52 ? ? ? ? ? . 276 GLY B C 504 ATOM 5122 O O . GLY B 504 276 . 3.925 53.452 6.422 1.00 27.41 ? ? ? ? ? . 276 GLY B O 504 ATOM 5123 N N . ALA B 504 277 . 3.296 52.946 4.334 1.00 26.22 ? ? ? ? ? . 277 ALA B N 504 ATOM 5124 C CA . ALA B 504 277 . 2.179 53.866 4.387 1.00 25.09 ? ? ? ? ? . 277 ALA B CA 504 ATOM 5125 C CB . ALA B 504 277 . 1.489 53.939 3.048 1.00 24.73 ? ? ? ? ? . 277 ALA B CB 504 ATOM 5126 C C . ALA B 504 277 . 1.190 53.501 5.494 1.00 24.65 ? ? ? ? ? . 277 ALA B C 504 ATOM 5127 O O . ALA B 504 277 . 1.012 52.321 5.833 1.00 25.05 ? ? ? ? ? . 277 ALA B O 504 ATOM 5128 N N . MET B 504 278 . 0.547 54.516 6.046 1.00 23.79 ? ? ? ? ? . 278 MET B N 504 ATOM 5129 C CA . MET B 504 278 . -0.521 54.337 7.013 1.00 23.48 ? ? ? ? ? . 278 MET B CA 504 ATOM 5130 C CB . MET B 504 278 . -1.154 55.695 7.326 1.00 23.36 ? ? ? ? ? . 278 MET B CB 504 ATOM 5131 C CG . MET B 504 278 . -2.215 55.621 8.373 1.00 23.35 ? ? ? ? ? . 278 MET B CG 504 ATOM 5132 S SD . MET B 504 278 . -3.129 57.124 8.611 1.00 23.44 ? ? ? ? ? . 278 MET B SD 504 ATOM 5133 C CE . MET B 504 278 . -3.982 57.302 7.039 1.00 25.21 ? ? ? ? ? . 278 MET B CE 504 ATOM 5134 C C . MET B 504 278 . -1.599 53.392 6.484 1.00 23.27 ? ? ? ? ? . 278 MET B C 504 ATOM 5135 O O . MET B 504 278 . -2.037 53.536 5.365 1.00 24.22 ? ? ? ? ? . 278 MET B O 504 ATOM 5136 N N . VAL B 504 279 . -2.030 52.437 7.287 1.00 22.77 ? ? ? ? ? . 279 VAL B N 504 ATOM 5137 C CA . VAL B 504 279 . -3.142 51.557 6.929 1.00 21.98 ? ? ? ? ? . 279 VAL B CA 504 ATOM 5138 C CB . VAL B 504 279 . -2.987 50.156 7.556 1.00 21.59 ? ? ? ? ? . 279 VAL B CB 504 ATOM 5139 C CG1 . VAL B 504 279 . -4.082 49.236 7.057 1.00 21.15 ? ? ? ? ? . 279 VAL B CG1 504 ATOM 5140 C CG2 . VAL B 504 279 . -1.595 49.559 7.265 1.00 20.45 ? ? ? ? ? . 279 VAL B CG2 504 ATOM 5141 C C . VAL B 504 279 . -4.430 52.175 7.468 1.00 22.36 ? ? ? ? ? . 279 VAL B C 504 ATOM 5142 O O . VAL B 504 279 . -4.413 52.782 8.550 1.00 22.77 ? ? ? ? ? . 279 VAL B O 504 ATOM 5143 N N . SER B 504 280 . -5.542 52.036 6.731 1.00 21.78 ? ? ? ? ? . 280 SER B N 504 ATOM 5144 C CA . SER B 504 280 . -6.838 52.459 7.263 1.00 21.65 ? ? ? ? ? . 280 SER B CA 504 ATOM 5145 C CB . SER B 504 280 . -7.176 53.882 6.856 1.00 21.07 ? ? ? ? ? . 280 SER B CB 504 ATOM 5146 O OG . SER B 504 280 . -6.903 54.075 5.494 1.00 20.99 ? ? ? ? ? . 280 SER B OG 504 ATOM 5147 C C . SER B 504 280 . -7.907 51.542 6.766 1.00 22.06 ? ? ? ? ? . 280 SER B C 504 ATOM 5148 O O . SER B 504 280 . -7.722 50.896 5.746 1.00 23.23 ? ? ? ? ? . 280 SER B O 504 ATOM 5149 N N . ASN B 504 281 . -9.026 51.514 7.481 1.00 22.02 ? ? ? ? ? . 281 ASN B N 504 ATOM 5150 C CA . ASN B 504 281 . -10.132 50.623 7.209 1.00 22.46 ? ? ? ? ? . 281 ASN B CA 504 ATOM 5151 C CB . ASN B 504 281 . -10.965 51.079 6.030 1.00 22.29 ? ? ? ? ? . 281 ASN B CB 504 ATOM 5152 C CG . ASN B 504 281 . -12.231 50.246 5.874 1.00 23.26 ? ? ? ? ? . 281 ASN B CG 504 ATOM 5153 O OD1 . ASN B 504 281 . -12.874 49.848 6.887 1.00 18.63 ? ? ? ? ? . 281 ASN B OD1 504 ATOM 5154 N ND2 . ASN B 504 281 . -12.603 49.968 4.592 1.00 21.27 ? ? ? ? ? . 281 ASN B ND2 504 ATOM 5155 C C . ASN B 504 281 . -9.693 49.193 6.995 1.00 22.87 ? ? ? ? ? . 281 ASN B C 504 ATOM 5156 O O . ASN B 504 281 . -9.749 48.654 5.863 1.00 22.35 ? ? ? ? ? . 281 ASN B O 504 ATOM 5157 N N . ALA B 504 282 . -9.274 48.574 8.102 1.00 22.78 ? ? ? ? ? . 282 ALA B N 504 ATOM 5158 C CA . ALA B 504 282 . -8.644 47.269 8.026 1.00 22.44 ? ? ? ? ? . 282 ALA B CA 504 ATOM 5159 C CB . ALA B 504 282 . -7.244 47.391 7.405 1.00 22.22 ? ? ? ? ? . 282 ALA B CB 504 ATOM 5160 C C . ALA B 504 282 . -8.554 46.637 9.387 1.00 22.33 ? ? ? ? ? . 282 ALA B C 504 ATOM 5161 O O . ALA B 504 282 . -8.628 47.324 10.407 1.00 22.62 ? ? ? ? ? . 282 ALA B O 504 ATOM 5162 N N . PHE B 504 283 . -8.392 45.315 9.370 1.00 22.28 ? ? ? ? ? . 283 PHE B N 504 ATOM 5163 C CA . PHE B 504 283 . -8.052 44.498 10.531 1.00 21.61 ? ? ? ? ? . 283 PHE B CA 504 ATOM 5164 C CB . PHE B 504 283 . -8.882 43.231 10.520 1.00 20.59 ? ? ? ? ? . 283 PHE B CB 504 ATOM 5165 C CG . PHE B 504 283 . -10.316 43.506 10.795 1.00 19.98 ? ? ? ? ? . 283 PHE B CG 504 ATOM 5166 C CD1 . PHE B 504 283 . -10.759 43.642 12.109 1.00 19.93 ? ? ? ? ? . 283 PHE B CD1 504 ATOM 5167 C CE1 . PHE B 504 283 . -12.071 43.963 12.384 1.00 19.29 ? ? ? ? ? . 283 PHE B CE1 504 ATOM 5168 C CZ . PHE B 504 283 . -12.939 44.172 11.330 1.00 19.81 ? ? ? ? ? . 283 PHE B CZ 504 ATOM 5169 C CE2 . PHE B 504 283 . -12.493 44.075 10.008 1.00 17.36 ? ? ? ? ? . 283 PHE B CE2 504 ATOM 5170 C CD2 . PHE B 504 283 . -11.197 43.759 9.752 1.00 17.06 ? ? ? ? ? . 283 PHE B CD2 504 ATOM 5171 C C . PHE B 504 283 . -6.571 44.189 10.588 1.00 22.13 ? ? ? ? ? . 283 PHE B C 504 ATOM 5172 O O . PHE B 504 283 . -5.963 43.754 9.607 1.00 21.79 ? ? ? ? ? . 283 PHE B O 504 ATOM 5173 N N . ILE B 504 284 . -5.974 44.446 11.745 1.00 22.76 ? ? ? ? ? . 284 ILE B N 504 ATOM 5174 C CA . ILE B 504 284 . -4.568 44.113 11.896 1.00 23.32 ? ? ? ? ? . 284 ILE B CA 504 ATOM 5175 C CB . ILE B 504 284 . -3.673 45.385 12.140 1.00 22.92 ? ? ? ? ? . 284 ILE B CB 504 ATOM 5176 C CG1 . ILE B 504 284 . -3.697 46.297 10.895 1.00 22.47 ? ? ? ? ? . 284 ILE B CG1 504 ATOM 5177 C CD1 . ILE B 504 284 . -3.364 45.590 9.504 1.00 20.28 ? ? ? ? ? . 284 ILE B CD1 504 ATOM 5178 C CG2 . ILE B 504 284 . -2.220 45.003 12.500 1.00 21.44 ? ? ? ? ? . 284 ILE B CG2 504 ATOM 5179 C C . ILE B 504 284 . -4.415 43.011 12.929 1.00 23.70 ? ? ? ? ? . 284 ILE B C 504 ATOM 5180 O O . ILE B 504 284 . -4.974 43.109 14.025 1.00 24.15 ? ? ? ? ? . 284 ILE B O 504 ATOM 5181 N N . GLN B 504 285 . -3.703 41.950 12.562 1.00 24.21 ? ? ? ? ? . 285 GLN B N 504 ATOM 5182 C CA . GLN B 504 285 . -3.533 40.829 13.488 1.00 25.42 ? ? ? ? ? . 285 GLN B CA 504 ATOM 5183 C CB . GLN B 504 285 . -2.956 39.603 12.775 1.00 25.61 ? ? ? ? ? . 285 GLN B CB 504 ATOM 5184 C CG . GLN B 504 285 . -2.739 38.391 13.650 1.00 27.24 ? ? ? ? ? . 285 GLN B CG 504 ATOM 5185 C CD . GLN B 504 285 . -2.865 37.124 12.869 1.00 30.69 ? ? ? ? ? . 285 GLN B CD 504 ATOM 5186 O OE1 . GLN B 504 285 . -1.999 36.795 12.056 1.00 33.42 ? ? ? ? ? . 285 GLN B OE1 504 ATOM 5187 N NE2 . GLN B 504 285 . -3.961 36.400 13.086 1.00 31.59 ? ? ? ? ? . 285 GLN B NE2 504 ATOM 5188 C C . GLN B 504 285 . -2.667 41.274 14.665 1.00 25.34 ? ? ? ? ? . 285 GLN B C 504 ATOM 5189 O O . GLN B 504 285 . -1.719 42.029 14.463 1.00 25.78 ? ? ? ? ? . 285 GLN B O 504 ATOM 5190 N N . SER B 504 286 . -3.007 40.846 15.879 1.00 24.62 ? ? ? ? ? . 286 SER B N 504 ATOM 5191 C CA . SER B 504 286 . -2.218 41.225 17.041 1.00 24.20 ? ? ? ? ? . 286 SER B CA 504 ATOM 5192 C CB . SER B 504 286 . -2.997 40.932 18.315 1.00 23.80 ? ? ? ? ? . 286 SER B CB 504 ATOM 5193 O OG . SER B 504 286 . -3.324 39.555 18.387 1.00 23.02 ? ? ? ? ? . 286 SER B OG 504 ATOM 5194 C C . SER B 504 286 . -0.851 40.497 17.021 1.00 24.51 ? ? ? ? ? . 286 SER B C 504 ATOM 5195 O O . SER B 504 286 . -0.653 39.542 16.275 1.00 24.34 ? ? ? ? ? . 286 SER B O 504 ATOM 5196 N N . ALA B 504 287 . 0.097 40.957 17.834 1.00 25.06 ? ? ? ? ? . 287 ALA B N 504 ATOM 5197 C CA . ALA B 504 287 . 1.458 40.418 17.810 1.00 25.14 ? ? ? ? ? . 287 ALA B CA 504 ATOM 5198 C CB . ALA B 504 287 . 2.355 41.143 18.833 1.00 24.84 ? ? ? ? ? . 287 ALA B CB 504 ATOM 5199 C C . ALA B 504 287 . 1.455 38.905 18.046 1.00 25.20 ? ? ? ? ? . 287 ALA B C 504 ATOM 5200 O O . ALA B 504 287 . 2.060 38.147 17.281 1.00 25.21 ? ? ? ? ? . 287 ALA B O 504 ATOM 5201 N N . ASP B 504 288 . 0.727 38.472 19.075 1.00 25.50 ? ? ? ? ? . 288 ASP B N 504 ATOM 5202 C CA . ASP B 504 288 . 0.637 37.048 19.438 1.00 25.62 ? ? ? ? ? . 288 ASP B CA 504 ATOM 5203 C CB . ASP B 504 288 . 0.203 36.891 20.911 1.00 25.71 ? ? ? ? ? . 288 ASP B CB 504 ATOM 5204 C CG . ASP B 504 288 . -1.247 37.329 21.165 1.00 27.03 ? ? ? ? ? . 288 ASP B CG 504 ATOM 5205 O OD1 . ASP B 504 288 . -1.923 37.804 20.225 1.00 29.59 ? ? ? ? ? . 288 ASP B OD1 504 ATOM 5206 O OD2 . ASP B 504 288 . -1.730 37.199 22.312 1.00 28.64 ? ? ? ? ? . 288 ASP B OD2 504 ATOM 5207 C C . ASP B 504 288 . -0.307 36.264 18.543 1.00 25.21 ? ? ? ? ? . 288 ASP B C 504 ATOM 5208 O O . ASP B 504 288 . -0.937 35.330 19.019 1.00 26.03 ? ? ? ? ? . 288 ASP B O 504 ATOM 5209 N N . GLY B 504 289 . -0.423 36.667 17.277 1.00 24.89 ? ? ? ? ? . 289 GLY B N 504 ATOM 5210 C CA . GLY B 504 289 . -1.386 36.113 16.296 1.00 24.64 ? ? ? ? ? . 289 GLY B CA 504 ATOM 5211 C C . GLY B 504 289 . -2.769 35.651 16.758 1.00 24.73 ? ? ? ? ? . 289 GLY B C 504 ATOM 5212 O O . GLY B 504 289 . -3.324 34.739 16.166 1.00 25.10 ? ? ? ? ? . 289 GLY B O 504 ATOM 5213 N N . THR B 504 290 . -3.329 36.288 17.782 1.00 24.40 ? ? ? ? ? . 290 THR B N 504 ATOM 5214 C CA . THR B 504 290 . -4.473 35.767 18.523 1.00 25.00 ? ? ? ? ? . 290 THR B CA 504 ATOM 5215 C CB . THR B 504 290 . -4.111 35.708 20.048 1.00 25.48 ? ? ? ? ? . 290 THR B CB 504 ATOM 5216 O OG1 . THR B 504 290 . -3.854 34.353 20.426 1.00 27.16 ? ? ? ? ? . 290 THR B OG1 504 ATOM 5217 C CG2 . THR B 504 290 . -5.202 36.303 20.958 1.00 24.71 ? ? ? ? ? . 290 THR B CG2 504 ATOM 5218 C C . THR B 504 290 . -5.751 36.600 18.341 1.00 24.99 ? ? ? ? ? . 290 THR B C 504 ATOM 5219 O O . THR B 504 290 . -6.877 36.084 18.393 1.00 25.28 ? ? ? ? ? . 290 THR B O 504 ATOM 5220 N N . GLY B 504 291 . -5.569 37.902 18.180 1.00 24.50 ? ? ? ? ? . 291 GLY B N 504 ATOM 5221 C CA . GLY B 504 291 . -6.682 38.799 18.024 1.00 23.66 ? ? ? ? ? . 291 GLY B CA 504 ATOM 5222 C C . GLY B 504 291 . -6.426 39.813 16.938 1.00 23.53 ? ? ? ? ? . 291 GLY B C 504 ATOM 5223 O O . GLY B 504 291 . -5.449 39.711 16.153 1.00 23.16 ? ? ? ? ? . 291 GLY B O 504 ATOM 5224 N N . TRP B 504 292 . -7.294 40.818 16.926 1.00 22.99 ? ? ? ? ? . 292 TRP B N 504 ATOM 5225 C CA . TRP B 504 292 . -7.294 41.817 15.874 1.00 22.75 ? ? ? ? ? . 292 TRP B CA 504 ATOM 5226 C CB . TRP B 504 292 . -8.414 41.499 14.902 1.00 22.98 ? ? ? ? ? . 292 TRP B CB 504 ATOM 5227 C CG . TRP B 504 292 . -8.248 40.150 14.306 1.00 23.64 ? ? ? ? ? . 292 TRP B CG 504 ATOM 5228 C CD1 . TRP B 504 292 . -8.709 38.965 14.808 1.00 21.56 ? ? ? ? ? . 292 TRP B CD1 504 ATOM 5229 N NE1 . TRP B 504 292 . -8.348 37.937 13.983 1.00 22.56 ? ? ? ? ? . 292 TRP B NE1 504 ATOM 5230 C CE2 . TRP B 504 292 . -7.624 38.432 12.933 1.00 22.97 ? ? ? ? ? . 292 TRP B CE2 504 ATOM 5231 C CD2 . TRP B 504 292 . -7.528 39.834 13.112 1.00 24.06 ? ? ? ? ? . 292 TRP B CD2 504 ATOM 5232 C CE3 . TRP B 504 292 . -6.839 40.602 12.157 1.00 24.32 ? ? ? ? ? . 292 TRP B CE3 504 ATOM 5233 C CZ3 . TRP B 504 292 . -6.259 39.944 11.062 1.00 25.61 ? ? ? ? ? . 292 TRP B CZ3 504 ATOM 5234 C CH2 . TRP B 504 292 . -6.375 38.538 10.915 1.00 26.81 ? ? ? ? ? . 292 TRP B CH2 504 ATOM 5235 C CZ2 . TRP B 504 292 . -7.063 37.773 11.835 1.00 23.98 ? ? ? ? ? . 292 TRP B CZ2 504 ATOM 5236 C C . TRP B 504 292 . -7.508 43.201 16.425 1.00 22.66 ? ? ? ? ? . 292 TRP B C 504 ATOM 5237 O O . TRP B 504 292 . -8.206 43.370 17.461 1.00 22.99 ? ? ? ? ? . 292 TRP B O 504 ATOM 5238 N N . TYR B 504 293 . -6.899 44.179 15.739 1.00 21.72 ? ? ? ? ? . 293 TYR B N 504 ATOM 5239 C CA . TYR B 504 293 . -7.182 45.603 15.931 1.00 21.05 ? ? ? ? ? . 293 TYR B CA 504 ATOM 5240 C CB . TYR B 504 293 . -5.918 46.342 16.402 1.00 20.77 ? ? ? ? ? . 293 TYR B CB 504 ATOM 5241 C CG . TYR B 504 293 . -5.438 45.968 17.815 1.00 20.05 ? ? ? ? ? . 293 TYR B CG 504 ATOM 5242 C CD1 . TYR B 504 293 . -6.123 46.408 18.966 1.00 23.17 ? ? ? ? ? . 293 TYR B CD1 504 ATOM 5243 C CE1 . TYR B 504 293 . -5.669 46.055 20.265 1.00 23.68 ? ? ? ? ? . 293 TYR B CE1 504 ATOM 5244 C CZ . TYR B 504 293 . -4.523 45.258 20.380 1.00 22.17 ? ? ? ? ? . 293 TYR B CZ 504 ATOM 5245 O OH . TYR B 504 293 . -4.045 44.891 21.600 1.00 23.68 ? ? ? ? ? . 293 TYR B OH 504 ATOM 5246 C CE2 . TYR B 504 293 . -3.858 44.838 19.262 1.00 19.31 ? ? ? ? ? . 293 TYR B CE2 504 ATOM 5247 C CD2 . TYR B 504 293 . -4.325 45.185 17.996 1.00 18.64 ? ? ? ? ? . 293 TYR B CD2 504 ATOM 5248 C C . TYR B 504 293 . -7.740 46.174 14.624 1.00 21.20 ? ? ? ? ? . 293 TYR B C 504 ATOM 5249 O O . TYR B 504 293 . -7.271 45.818 13.543 1.00 22.13 ? ? ? ? ? . 293 TYR B O 504 ATOM 5250 N N . TYR B 504 294 . -8.774 47.004 14.724 1.00 20.96 ? ? ? ? ? . 294 TYR B N 504 ATOM 5251 C CA . TYR B 504 294 . -9.414 47.650 13.577 1.00 20.59 ? ? ? ? ? . 294 TYR B CA 504 ATOM 5252 C CB . TYR B 504 294 . -10.964 47.557 13.652 1.00 21.07 ? ? ? ? ? . 294 TYR B CB 504 ATOM 5253 C CG . TYR B 504 294 . -11.648 48.305 12.510 1.00 22.51 ? ? ? ? ? . 294 TYR B CG 504 ATOM 5254 C CD1 . TYR B 504 294 . -11.516 47.862 11.182 1.00 24.93 ? ? ? ? ? . 294 TYR B CD1 504 ATOM 5255 C CE1 . TYR B 504 294 . -12.109 48.546 10.126 1.00 23.81 ? ? ? ? ? . 294 TYR B CE1 504 ATOM 5256 C CZ . TYR B 504 294 . -12.834 49.684 10.386 1.00 24.03 ? ? ? ? ? . 294 TYR B CZ 504 ATOM 5257 O OH . TYR B 504 294 . -13.411 50.330 9.317 1.00 25.89 ? ? ? ? ? . 294 TYR B OH 504 ATOM 5258 C CE2 . TYR B 504 294 . -12.985 50.155 11.683 1.00 21.84 ? ? ? ? ? . 294 TYR B CE2 504 ATOM 5259 C CD2 . TYR B 504 294 . -12.400 49.462 12.737 1.00 21.92 ? ? ? ? ? . 294 TYR B CD2 504 ATOM 5260 C C . TYR B 504 294 . -8.993 49.117 13.497 1.00 20.14 ? ? ? ? ? . 294 TYR B C 504 ATOM 5261 O O . TYR B 504 294 . -8.967 49.815 14.479 1.00 19.75 ? ? ? ? ? . 294 TYR B O 504 ATOM 5262 N N . LEU B 504 295 . -8.632 49.568 12.310 1.00 20.53 ? ? ? ? ? . 295 LEU B N 504 ATOM 5263 C CA . LEU B 504 295 . -8.268 50.959 12.087 1.00 20.42 ? ? ? ? ? . 295 LEU B CA 504 ATOM 5264 C CB . LEU B 504 295 . -6.920 51.061 11.383 1.00 20.00 ? ? ? ? ? . 295 LEU B CB 504 ATOM 5265 C CG . LEU B 504 295 . -5.819 50.190 11.976 1.00 18.93 ? ? ? ? ? . 295 LEU B CG 504 ATOM 5266 C CD1 . LEU B 504 295 . -4.888 49.780 10.868 1.00 19.35 ? ? ? ? ? . 295 LEU B CD1 504 ATOM 5267 C CD2 . LEU B 504 295 . -5.068 50.934 13.037 1.00 17.60 ? ? ? ? ? . 295 LEU B CD2 504 ATOM 5268 C C . LEU B 504 295 . -9.332 51.562 11.198 1.00 20.77 ? ? ? ? ? . 295 LEU B C 504 ATOM 5269 O O . LEU B 504 295 . -9.705 50.964 10.177 1.00 21.23 ? ? ? ? ? . 295 LEU B O 504 ATOM 5270 N N . LYS B 504 296 . -9.811 52.743 11.578 1.00 20.78 ? ? ? ? ? . 296 LYS B N 504 ATOM 5271 C CA . LYS B 504 296 . -10.969 53.342 10.937 1.00 20.87 ? ? ? ? ? . 296 LYS B CA 504 ATOM 5272 C CB . LYS B 504 296 . -11.519 54.492 11.779 1.00 20.90 ? ? ? ? ? . 296 LYS B CB 504 ATOM 5273 C CG . LYS B 504 296 . -11.822 54.160 13.234 1.00 21.31 ? ? ? ? ? . 296 LYS B CG 504 ATOM 5274 C CD . LYS B 504 296 . -12.857 55.135 13.752 1.00 24.23 ? ? ? ? ? . 296 LYS B CD 504 ATOM 5275 C CE . LYS B 504 296 . -13.048 55.117 15.261 1.00 25.89 ? ? ? ? ? . 296 LYS B CE 504 ATOM 5276 N NZ . LYS B 504 296 . -14.034 56.213 15.664 1.00 28.04 ? ? ? ? ? . 296 LYS B NZ 504 ATOM 5277 C C . LYS B 504 296 . -10.547 53.821 9.561 1.00 20.76 ? ? ? ? ? . 296 LYS B C 504 ATOM 5278 O O . LYS B 504 296 . -9.405 53.631 9.172 1.00 20.45 ? ? ? ? ? . 296 LYS B O 504 ATOM 5279 N N . PRO B 504 297 . -11.468 54.422 8.797 1.00 21.17 ? ? ? ? ? . 297 PRO B N 504 ATOM 5280 C CA . PRO B 504 297 . -11.045 55.030 7.517 1.00 21.15 ? ? ? ? ? . 297 PRO B CA 504 ATOM 5281 C CB . PRO B 504 297 . -12.342 55.569 6.947 1.00 20.29 ? ? ? ? ? . 297 PRO B CB 504 ATOM 5282 C CG . PRO B 504 297 . -13.368 54.634 7.482 1.00 20.98 ? ? ? ? ? . 297 PRO B CG 504 ATOM 5283 C CD . PRO B 504 297 . -12.934 54.353 8.908 1.00 21.08 ? ? ? ? ? . 297 PRO B CD 504 ATOM 5284 C C . PRO B 504 297 . -10.019 56.148 7.665 1.00 21.68 ? ? ? ? ? . 297 PRO B C 504 ATOM 5285 O O . PRO B 504 297 . -9.222 56.361 6.756 1.00 21.67 ? ? ? ? ? . 297 PRO B O 504 ATOM 5286 N N . ASP B 504 298 . -9.998 56.837 8.802 1.00 22.68 ? ? ? ? ? . 298 ASP B N 504 ATOM 5287 C CA . ASP B 504 298 . -9.042 57.939 8.946 1.00 24.00 ? ? ? ? ? . 298 ASP B CA 504 ATOM 5288 C CB . ASP B 504 298 . -9.559 59.022 9.890 1.00 24.22 ? ? ? ? ? . 298 ASP B CB 504 ATOM 5289 C CG . ASP B 504 298 . -9.771 58.507 11.283 1.00 26.45 ? ? ? ? ? . 298 ASP B CG 504 ATOM 5290 O OD1 . ASP B 504 298 . -9.326 57.360 11.539 1.00 27.46 ? ? ? ? ? . 298 ASP B OD1 504 ATOM 5291 O OD2 . ASP B 504 298 . -10.367 59.243 12.119 1.00 28.34 ? ? ? ? ? . 298 ASP B OD2 504 ATOM 5292 C C . ASP B 504 298 . -7.701 57.448 9.430 1.00 24.17 ? ? ? ? ? . 298 ASP B C 504 ATOM 5293 O O . ASP B 504 298 . -6.762 58.228 9.511 1.00 25.47 ? ? ? ? ? . 298 ASP B O 504 ATOM 5294 N N . GLY B 504 299 . -7.611 56.174 9.785 1.00 23.57 ? ? ? ? ? . 299 GLY B N 504 ATOM 5295 C CA . GLY B 504 299 . -6.347 55.604 10.186 1.00 22.90 ? ? ? ? ? . 299 GLY B CA 504 ATOM 5296 C C . GLY B 504 299 . -6.321 55.250 11.655 1.00 23.16 ? ? ? ? ? . 299 GLY B C 504 ATOM 5297 O O . GLY B 504 299 . -5.552 54.372 12.055 1.00 23.63 ? ? ? ? ? . 299 GLY B O 504 ATOM 5298 N N . THR B 504 300 . -7.146 55.922 12.452 1.00 22.58 ? ? ? ? ? . 300 THR B N 504 ATOM 5299 C CA . THR B 504 300 . -7.099 55.763 13.910 1.00 23.41 ? ? ? ? ? . 300 THR B CA 504 ATOM 5300 C CB . THR B 504 300 . -7.860 56.927 14.675 1.00 23.18 ? ? ? ? ? . 300 THR B CB 504 ATOM 5301 O OG1 . THR B 504 300 . -9.245 57.010 14.267 1.00 21.90 ? ? ? ? ? . 300 THR B OG1 504 ATOM 5302 C CG2 . THR B 504 300 . -7.189 58.246 14.389 1.00 23.60 ? ? ? ? ? . 300 THR B CG2 504 ATOM 5303 C C . THR B 504 300 . -7.547 54.389 14.461 1.00 23.87 ? ? ? ? ? . 300 THR B C 504 ATOM 5304 O O . THR B 504 300 . -8.498 53.773 13.968 1.00 24.00 ? ? ? ? ? . 300 THR B O 504 ATOM 5305 N N . LEU B 504 301 . -6.880 53.930 15.512 1.00 24.60 ? ? ? ? ? . 301 LEU B N 504 ATOM 5306 C CA . LEU B 504 301 . -7.333 52.716 16.221 1.00 24.77 ? ? ? ? ? . 301 LEU B CA 504 ATOM 5307 C CB . LEU B 504 301 . -6.409 52.378 17.405 1.00 24.99 ? ? ? ? ? . 301 LEU B CB 504 ATOM 5308 C CG . LEU B 504 301 . -6.905 51.194 18.258 1.00 26.36 ? ? ? ? ? . 301 LEU B CG 504 ATOM 5309 C CD1 . LEU B 504 301 . -6.911 49.901 17.396 1.00 30.49 ? ? ? ? ? . 301 LEU B CD1 504 ATOM 5310 C CD2 . LEU B 504 301 . -6.122 50.985 19.560 1.00 25.22 ? ? ? ? ? . 301 LEU B CD2 504 ATOM 5311 C C . LEU B 504 301 . -8.742 52.907 16.741 1.00 23.96 ? ? ? ? ? . 301 LEU B C 504 ATOM 5312 O O . LEU B 504 301 . -9.062 53.980 17.223 1.00 23.86 ? ? ? ? ? . 301 LEU B O 504 ATOM 5313 N N . ALA B 504 302 . -9.569 51.869 16.640 1.00 23.40 ? ? ? ? ? . 302 ALA B N 504 ATOM 5314 C CA . ALA B 504 302 . -10.863 51.854 17.288 1.00 23.66 ? ? ? ? ? . 302 ALA B CA 504 ATOM 5315 C CB . ALA B 504 302 . -11.832 51.049 16.482 1.00 22.56 ? ? ? ? ? . 302 ALA B CB 504 ATOM 5316 C C . ALA B 504 302 . -10.749 51.342 18.750 1.00 24.91 ? ? ? ? ? . 302 ALA B C 504 ATOM 5317 O O . ALA B 504 302 . -10.681 50.145 19.012 1.00 24.69 ? ? ? ? ? . 302 ALA B O 504 ATOM 5318 N N . ASP B 504 303 . -10.669 52.276 19.698 1.00 26.50 ? ? ? ? ? . 303 ASP B N 504 ATOM 5319 C CA . ASP B 504 303 . -10.791 51.972 21.149 1.00 27.59 ? ? ? ? ? . 303 ASP B CA 504 ATOM 5320 C CB . ASP B 504 303 . -10.925 53.248 22.018 1.00 27.66 ? ? ? ? ? . 303 ASP B CB 504 ATOM 5321 C CG . ASP B 504 303 . -11.760 54.354 21.333 1.00 30.47 ? ? ? ? ? . 303 ASP B CG 504 ATOM 5322 O OD1 . ASP B 504 303 . -11.337 54.886 20.274 1.00 32.37 ? ? ? ? ? . 303 ASP B OD1 504 ATOM 5323 O OD2 . ASP B 504 303 . -12.845 54.710 21.844 1.00 33.09 ? ? ? ? ? . 303 ASP B OD2 504 ATOM 5324 C C . ASP B 504 303 . -11.966 51.050 21.401 1.00 27.30 ? ? ? ? ? . 303 ASP B C 504 ATOM 5325 O O . ASP B 504 303 . -11.809 50.065 22.105 1.00 27.70 ? ? ? ? ? . 303 ASP B O 504 ATOM 5326 N N . LYS B 504 304 . -13.123 51.343 20.801 1.00 27.70 ? ? ? ? ? . 304 LYS B N 504 ATOM 5327 C CA . LYS B 504 304 . -14.349 50.557 21.055 1.00 28.54 ? ? ? ? ? . 304 LYS B CA 504 ATOM 5328 C CB . LYS B 504 304 . -15.278 51.366 21.963 1.00 29.07 ? ? ? ? ? . 304 LYS B CB 504 ATOM 5329 C CG . LYS B 504 304 . -14.727 51.544 23.385 1.00 30.86 ? ? ? ? ? . 304 LYS B CG 504 ATOM 5330 C CD . LYS B 504 304 . -14.971 52.950 23.925 1.00 34.91 ? ? ? ? ? . 304 LYS B CD 504 ATOM 5331 C CE . LYS B 504 304 . -14.948 52.951 25.458 1.00 36.15 ? ? ? ? ? . 304 LYS B CE 504 ATOM 5332 N NZ . LYS B 504 304 . -15.714 51.777 26.004 1.00 36.12 ? ? ? ? ? . 304 LYS B NZ 504 ATOM 5333 C C . LYS B 504 304 . -15.094 50.138 19.783 1.00 28.39 ? ? ? ? ? . 304 LYS B C 504 ATOM 5334 O O . LYS B 504 304 . -16.112 50.733 19.427 1.00 28.22 ? ? ? ? ? . 304 LYS B O 504 ATOM 5335 N N . ALA B 504 305 . -14.586 49.117 19.092 1.00 28.31 ? ? ? ? ? . 305 ALA B N 504 ATOM 5336 C CA . ALA B 504 305 . -15.181 48.676 17.825 1.00 27.59 ? ? ? ? ? . 305 ALA B CA 504 ATOM 5337 C CB . ALA B 504 305 . -14.291 47.653 17.227 1.00 27.00 ? ? ? ? ? . 305 ALA B CB 504 ATOM 5338 C C . ALA B 504 305 . -16.604 48.102 18.029 1.00 27.84 ? ? ? ? ? . 305 ALA B C 504 ATOM 5339 O O . ALA B 504 305 . -16.841 47.423 19.037 1.00 27.92 ? ? ? ? ? . 305 ALA B O 504 ATOM 5340 N N . GLU B 504 306 . -17.541 48.375 17.100 1.00 27.90 ? ? ? ? ? . 306 GLU B N 504 ATOM 5341 C CA . GLU B 504 306 . -18.893 47.737 17.096 1.00 27.62 ? ? ? ? ? . 306 GLU B CA 504 ATOM 5342 C CB . GLU B 504 306 . -20.001 48.754 17.318 1.00 28.11 ? ? ? ? ? . 306 GLU B CB 504 ATOM 5343 C CG . GLU B 504 306 . -20.252 49.066 18.784 1.00 31.88 ? ? ? ? ? . 306 GLU B CG 504 ATOM 5344 C CD . GLU B 504 306 . -20.896 50.442 19.011 1.00 36.62 ? ? ? ? ? . 306 GLU B CD 504 ATOM 5345 O OE1 . GLU B 504 306 . -20.815 51.330 18.118 1.00 37.24 ? ? ? ? ? . 306 GLU B OE1 504 ATOM 5346 O OE2 . GLU B 504 306 . -21.486 50.623 20.106 1.00 39.35 ? ? ? ? ? . 306 GLU B OE2 504 ATOM 5347 C C . GLU B 504 306 . -19.242 46.919 15.863 1.00 27.13 ? ? ? ? ? . 306 GLU B C 504 ATOM 5348 O O . GLU B 504 306 . -18.995 47.326 14.707 1.00 27.17 ? ? ? ? ? . 306 GLU B O 504 ATOM 5349 N N . PHE B 504 307 . -19.860 45.766 16.114 1.00 26.30 ? ? ? ? ? . 307 PHE B N 504 ATOM 5350 C CA . PHE B 504 307 . -20.110 44.790 15.072 1.00 25.07 ? ? ? ? ? . 307 PHE B CA 504 ATOM 5351 C CB . PHE B 504 307 . -19.341 43.514 15.385 1.00 24.03 ? ? ? ? ? . 307 PHE B CB 504 ATOM 5352 C CG . PHE B 504 307 . -17.875 43.739 15.588 1.00 20.94 ? ? ? ? ? . 307 PHE B CG 504 ATOM 5353 C CD1 . PHE B 504 307 . -17.018 43.807 14.500 1.00 15.51 ? ? ? ? ? . 307 PHE B CD1 504 ATOM 5354 C CE1 . PHE B 504 307 . -15.680 44.020 14.683 1.00 12.26 ? ? ? ? ? . 307 PHE B CE1 504 ATOM 5355 C CZ . PHE B 504 307 . -15.155 44.174 15.972 1.00 13.33 ? ? ? ? ? . 307 PHE B CZ 504 ATOM 5356 C CE2 . PHE B 504 307 . -15.980 44.110 17.061 1.00 14.03 ? ? ? ? ? . 307 PHE B CE2 504 ATOM 5357 C CD2 . PHE B 504 307 . -17.339 43.896 16.876 1.00 18.57 ? ? ? ? ? . 307 PHE B CD2 504 ATOM 5358 C C . PHE B 504 307 . -21.580 44.494 14.928 1.00 26.00 ? ? ? ? ? . 307 PHE B C 504 ATOM 5359 O O . PHE B 504 307 . -22.315 44.504 15.895 1.00 26.20 ? ? ? ? ? . 307 PHE B O 504 ATOM 5360 N N . THR B 504 308 . -22.022 44.273 13.700 1.00 27.28 ? ? ? ? ? . 308 THR B N 504 ATOM 5361 C CA . THR B 504 308 . -23.332 43.682 13.482 1.00 28.50 ? ? ? ? ? . 308 THR B CA 504 ATOM 5362 C CB . THR B 504 308 . -24.375 44.660 12.903 1.00 28.29 ? ? ? ? ? . 308 THR B CB 504 ATOM 5363 O OG1 . THR B 504 308 . -24.183 44.742 11.494 1.00 29.80 ? ? ? ? ? . 308 THR B OG1 504 ATOM 5364 C CG2 . THR B 504 308 . -24.284 46.061 13.521 1.00 26.09 ? ? ? ? ? . 308 THR B CG2 504 ATOM 5365 C C . THR B 504 308 . -23.128 42.542 12.489 1.00 30.07 ? ? ? ? ? . 308 THR B C 504 ATOM 5366 O O . THR B 504 308 . -22.235 42.603 11.600 1.00 30.11 ? ? ? ? ? . 308 THR B O 504 ATOM 5367 N N . VAL B 504 309 . -23.944 41.502 12.643 1.00 31.29 ? ? ? ? ? . 309 VAL B N 504 ATOM 5368 C CA . VAL B 504 309 . -23.873 40.368 11.741 1.00 32.51 ? ? ? ? ? . 309 VAL B CA 504 ATOM 5369 C CB . VAL B 504 309 . -23.315 39.087 12.435 1.00 32.46 ? ? ? ? ? . 309 VAL B CB 504 ATOM 5370 C CG1 . VAL B 504 309 . -22.679 38.189 11.399 1.00 31.82 ? ? ? ? ? . 309 VAL B CG1 504 ATOM 5371 C CG2 . VAL B 504 309 . -22.303 39.441 13.545 1.00 31.57 ? ? ? ? ? . 309 VAL B CG2 504 ATOM 5372 C C . VAL B 504 309 . -25.230 40.058 11.128 1.00 33.86 ? ? ? ? ? . 309 VAL B C 504 ATOM 5373 O O . VAL B 504 309 . -26.208 39.810 11.840 1.00 34.26 ? ? ? ? ? . 309 VAL B O 504 ATOM 5374 N N . GLU B 504 310 . -25.271 40.084 9.802 1.00 35.35 ? ? ? ? ? . 310 GLU B N 504 ATOM 5375 C CA . GLU B 504 310 . -26.397 39.590 9.032 1.00 37.01 ? ? ? ? ? . 310 GLU B CA 504 ATOM 5376 C CB . GLU B 504 310 . -26.430 40.324 7.679 1.00 37.39 ? ? ? ? ? . 310 GLU B CB 504 ATOM 5377 C CG . GLU B 504 310 . -27.230 41.668 7.759 1.00 41.31 ? ? ? ? ? . 310 GLU B CG 504 ATOM 5378 C CD . GLU B 504 310 . -26.794 42.732 6.723 1.00 47.54 ? ? ? ? ? . 310 GLU B CD 504 ATOM 5379 O OE1 . GLU B 504 310 . -27.632 43.110 5.845 1.00 47.70 ? ? ? ? ? . 310 GLU B OE1 504 ATOM 5380 O OE2 . GLU B 504 310 . -25.617 43.202 6.803 1.00 49.94 ? ? ? ? ? . 310 GLU B OE2 504 ATOM 5381 C C . GLU B 504 310 . -26.373 38.036 8.915 1.00 37.48 ? ? ? ? ? . 310 GLU B C 504 ATOM 5382 O O . GLU B 504 310 . -25.345 37.396 9.233 1.00 37.84 ? ? ? ? ? . 310 GLU B O 504 ATOM 5383 N N . PRO B 504 311 . -27.498 37.417 8.476 1.00 37.79 ? ? ? ? ? . 311 PRO B N 504 ATOM 5384 C CA . PRO B 504 311 . -27.659 35.940 8.391 1.00 37.03 ? ? ? ? ? . 311 PRO B CA 504 ATOM 5385 C CB . PRO B 504 311 . -29.095 35.780 7.868 1.00 37.70 ? ? ? ? ? . 311 PRO B CB 504 ATOM 5386 C CG . PRO B 504 311 . -29.337 37.087 7.060 1.00 38.49 ? ? ? ? ? . 311 PRO B CG 504 ATOM 5387 C CD . PRO B 504 311 . -28.719 38.108 7.999 1.00 38.15 ? ? ? ? ? . 311 PRO B CD 504 ATOM 5388 C C . PRO B 504 311 . -26.706 35.179 7.454 1.00 36.02 ? ? ? ? ? . 311 PRO B C 504 ATOM 5389 O O . PRO B 504 311 . -26.433 33.997 7.701 1.00 35.90 ? ? ? ? ? . 311 PRO B O 504 ATOM 5390 N N . ASP B 504 312 . -26.234 35.819 6.383 1.00 34.48 ? ? ? ? ? . 312 ASP B N 504 ATOM 5391 C CA . ASP B 504 312 . -25.189 35.198 5.535 1.00 33.22 ? ? ? ? ? . 312 ASP B CA 504 ATOM 5392 C CB . ASP B 504 312 . -25.154 35.782 4.114 1.00 33.18 ? ? ? ? ? . 312 ASP B CB 504 ATOM 5393 C CG . ASP B 504 312 . -24.715 37.252 4.078 1.00 35.12 ? ? ? ? ? . 312 ASP B CG 504 ATOM 5394 O OD1 . ASP B 504 312 . -25.047 38.013 5.031 1.00 35.50 ? ? ? ? ? . 312 ASP B OD1 504 ATOM 5395 O OD2 . ASP B 504 312 . -24.049 37.650 3.077 1.00 36.45 ? ? ? ? ? . 312 ASP B OD2 504 ATOM 5396 C C . ASP B 504 312 . -23.786 35.261 6.161 1.00 32.26 ? ? ? ? ? . 312 ASP B C 504 ATOM 5397 O O . ASP B 504 312 . -22.863 34.665 5.634 1.00 32.19 ? ? ? ? ? . 312 ASP B O 504 ATOM 5398 N N . GLY B 504 313 . -23.627 35.966 7.280 1.00 31.11 ? ? ? ? ? . 313 GLY B N 504 ATOM 5399 C CA . GLY B 504 313 . -22.323 36.084 7.921 1.00 29.41 ? ? ? ? ? . 313 GLY B CA 504 ATOM 5400 C C . GLY B 504 313 . -21.654 37.438 7.762 1.00 27.89 ? ? ? ? ? . 313 GLY B C 504 ATOM 5401 O O . GLY B 504 313 . -20.631 37.690 8.378 1.00 26.91 ? ? ? ? ? . 313 GLY B O 504 ATOM 5402 N N . LEU B 504 314 . -22.253 38.308 6.947 1.00 27.05 ? ? ? ? ? . 314 LEU B N 504 ATOM 5403 C CA . LEU B 504 314 . -21.709 39.652 6.672 1.00 26.16 ? ? ? ? ? . 314 LEU B CA 504 ATOM 5404 C CB . LEU B 504 314 . -22.541 40.392 5.633 1.00 24.94 ? ? ? ? ? . 314 LEU B CB 504 ATOM 5405 C CG . LEU B 504 314 . -22.094 41.828 5.399 1.00 23.44 ? ? ? ? ? . 314 LEU B CG 504 ATOM 5406 C CD1 . LEU B 504 314 . -20.752 41.932 4.694 1.00 20.65 ? ? ? ? ? . 314 LEU B CD1 504 ATOM 5407 C CD2 . LEU B 504 314 . -23.165 42.570 4.634 1.00 24.95 ? ? ? ? ? . 314 LEU B CD2 504 ATOM 5408 C C . LEU B 504 314 . -21.536 40.512 7.914 1.00 25.88 ? ? ? ? ? . 314 LEU B C 504 ATOM 5409 O O . LEU B 504 314 . -22.449 40.632 8.708 1.00 26.29 ? ? ? ? ? . 314 LEU B O 504 ATOM 5410 N N . ILE B 504 315 . -20.352 41.105 8.059 1.00 25.72 ? ? ? ? ? . 315 ILE B N 504 ATOM 5411 C CA . ILE B 504 315 . -20.014 41.884 9.251 1.00 25.31 ? ? ? ? ? . 315 ILE B CA 504 ATOM 5412 C CB . ILE B 504 315 . -18.691 41.410 9.897 1.00 24.97 ? ? ? ? ? . 315 ILE B CB 504 ATOM 5413 C CG1 . ILE B 504 315 . -18.651 39.897 10.044 1.00 23.96 ? ? ? ? ? . 315 ILE B CG1 504 ATOM 5414 C CD1 . ILE B 504 315 . -17.252 39.336 10.020 1.00 24.50 ? ? ? ? ? . 315 ILE B CD1 504 ATOM 5415 C CG2 . ILE B 504 315 . -18.466 42.091 11.236 1.00 25.27 ? ? ? ? ? . 315 ILE B CG2 504 ATOM 5416 C C . ILE B 504 315 . -19.823 43.339 8.917 1.00 25.24 ? ? ? ? ? . 315 ILE B C 504 ATOM 5417 O O . ILE B 504 315 . -19.057 43.680 8.018 1.00 24.72 ? ? ? ? ? . 315 ILE B O 504 ATOM 5418 N N . THR B 504 316 . -20.487 44.203 9.676 1.00 25.95 ? ? ? ? ? . 316 THR B N 504 ATOM 5419 C CA . THR B 504 316 . -20.198 45.641 9.617 1.00 26.05 ? ? ? ? ? . 316 THR B CA 504 ATOM 5420 C CB . THR B 504 316 . -21.444 46.515 9.536 1.00 25.87 ? ? ? ? ? . 316 THR B CB 504 ATOM 5421 O OG1 . THR B 504 316 . -22.051 46.561 10.836 1.00 26.97 ? ? ? ? ? . 316 THR B OG1 504 ATOM 5422 C CG2 . THR B 504 316 . -22.421 46.036 8.465 1.00 24.86 ? ? ? ? ? . 316 THR B CG2 504 ATOM 5423 C C . THR B 504 316 . -19.511 46.060 10.898 1.00 26.15 ? ? ? ? ? . 316 THR B C 504 ATOM 5424 O O . THR B 504 316 . -19.843 45.549 11.969 1.00 26.14 ? ? ? ? ? . 316 THR B O 504 ATOM 5425 N N . VAL B 504 317 . -18.604 47.030 10.784 1.00 26.44 ? ? ? ? ? . 317 VAL B N 504 ATOM 5426 C CA . VAL B 504 317 . -17.841 47.487 11.930 1.00 26.97 ? ? ? ? ? . 317 VAL B CA 504 ATOM 5427 C CB . VAL B 504 317 . -16.419 46.835 11.944 1.00 26.81 ? ? ? ? ? . 317 VAL B CB 504 ATOM 5428 C CG1 . VAL B 504 317 . -15.651 47.115 10.645 1.00 25.51 ? ? ? ? ? . 317 VAL B CG1 504 ATOM 5429 C CG2 . VAL B 504 317 . -15.633 47.212 13.225 1.00 25.90 ? ? ? ? ? . 317 VAL B CG2 504 ATOM 5430 C C . VAL B 504 317 . -17.814 49.028 12.039 1.00 27.95 ? ? ? ? ? . 317 VAL B C 504 ATOM 5431 O O . VAL B 504 317 . -17.702 49.727 11.023 1.00 28.46 ? ? ? ? ? . 317 VAL B O 504 ATOM 5432 N N . LYS B 504 318 . -17.923 49.531 13.275 1.00 28.56 ? ? ? ? ? . 318 LYS B N 504 ATOM 5433 C CA . LYS B 504 318 . -17.973 50.967 13.578 1.00 28.94 ? ? ? ? ? . 318 LYS B CA 504 ATOM 5434 C CB . LYS B 504 318 . -19.416 51.450 13.472 1.00 29.35 ? ? ? ? ? . 318 LYS B CB 504 ATOM 5435 C CG . LYS B 504 318 . -19.538 52.923 13.220 1.00 32.40 ? ? ? ? ? . 318 LYS B CG 504 ATOM 5436 C CD . LYS B 504 318 . -20.615 53.562 14.119 1.00 37.03 ? ? ? ? ? . 318 LYS B CD 504 ATOM 5437 C CE . LYS B 504 318 . -20.561 55.109 14.025 1.00 38.94 ? ? ? ? ? . 318 LYS B CE 504 ATOM 5438 N NZ . LYS B 504 318 . -21.274 55.783 15.178 1.00 40.16 ? ? ? ? ? . 318 LYS B NZ 504 ATOM 5439 C C . LYS B 504 318 . -17.402 51.304 14.968 1.00 27.69 ? ? ? ? ? . 318 LYS B C 504 ATOM 5440 C C6 . CHT B 504 401 . 9.339 51.624 0.468 1.00 40.14 ? ? ? ? ? . 401 CHT B C6 504 ATOM 5441 N N1 . CHT B 504 401 . 8.651 52.902 0.215 1.00 40.28 ? ? ? ? ? . 401 CHT B N1 504 ATOM 5442 C C7 . CHT B 504 401 . 7.246 52.628 -0.129 1.00 41.37 ? ? ? ? ? . 401 CHT B C7 504 ATOM 5443 C C8 . CHT B 504 401 . 8.685 53.698 1.435 1.00 38.78 ? ? ? ? ? . 401 CHT B C8 504 ATOM 5444 C C5 . CHT B 504 401 . 9.300 53.727 -0.833 1.00 42.59 ? ? ? ? ? . 401 CHT B C5 504 ATOM 5445 C C4 . CHT B 504 401 . 9.072 53.236 -2.296 1.00 45.07 ? ? ? ? ? . 401 CHT B C4 504 ATOM 5446 O O6 . CHT B 504 401 . 9.475 51.843 -2.433 1.00 46.00 ? ? ? ? ? . 401 CHT B O6 504 ATOM 5447 C C6 . CHT B 504 402 . -3.938 61.807 10.658 1.00 56.88 ? ? ? ? ? . 402 CHT B C6 504 ATOM 5448 N N1 . CHT B 504 402 . -2.551 62.291 10.763 1.00 56.37 ? ? ? ? ? . 402 CHT B N1 504 ATOM 5449 C C7 . CHT B 504 402 . -1.976 61.972 12.075 1.00 55.57 ? ? ? ? ? . 402 CHT B C7 504 ATOM 5450 C C8 . CHT B 504 402 . -1.749 61.543 9.807 1.00 55.12 ? ? ? ? ? . 402 CHT B C8 504 ATOM 5451 C C5 . CHT B 504 402 . -2.421 63.751 10.457 1.00 58.16 ? ? ? ? ? . 402 CHT B C5 504 ATOM 5452 C C4 . CHT B 504 402 . -3.628 64.658 10.869 1.00 59.41 ? ? ? ? ? . 402 CHT B C4 504 ATOM 5453 O O6 . CHT B 504 402 . -3.230 66.058 10.984 1.00 59.22 ? ? ? ? ? . 402 CHT B O6 504 ATOM 5454 C C6 . CHT B 504 403 . 21.444 60.609 12.269 1.00 45.34 ? ? ? ? ? . 403 CHT B C6 504 ATOM 5455 N N1 . CHT B 504 403 . 20.825 60.624 10.915 1.00 45.43 ? ? ? ? ? . 403 CHT B N1 504 ATOM 5456 C C7 . CHT B 504 403 . 20.427 59.253 10.526 1.00 44.39 ? ? ? ? ? . 403 CHT B C7 504 ATOM 5457 C C8 . CHT B 504 403 . 19.668 61.526 10.988 1.00 42.62 ? ? ? ? ? . 403 CHT B C8 504 ATOM 5458 C C5 . CHT B 504 403 . 21.705 61.170 9.862 1.00 44.90 ? ? ? ? ? . 403 CHT B C5 504 ATOM 5459 C C4 . CHT B 504 403 . 23.177 60.808 10.096 1.00 44.32 ? ? ? ? ? . 403 CHT B C4 504 ATOM 5460 O O6 . CHT B 504 403 . 23.277 59.396 10.107 1.00 45.78 ? ? ? ? ? . 403 CHT B O6 504 ATOM 5461 C C6 . CHT B 504 404 . -1.495 46.863 21.256 1.00 39.62 ? ? ? ? ? . 404 CHT B C6 504 ATOM 5462 N N1 . CHT B 504 404 . -1.347 48.222 20.740 1.00 40.52 ? ? ? ? ? . 404 CHT B N1 504 ATOM 5463 C C7 . CHT B 504 404 . -2.433 48.628 19.834 1.00 39.71 ? ? ? ? ? . 404 CHT B C7 504 ATOM 5464 C C8 . CHT B 504 404 . -1.446 49.102 21.901 1.00 40.28 ? ? ? ? ? . 404 CHT B C8 504 ATOM 5465 C C5 . CHT B 504 404 . -0.072 48.288 19.970 1.00 42.77 ? ? ? ? ? . 404 CHT B C5 504 ATOM 5466 C C4 . CHT B 504 404 . 1.223 48.419 20.829 1.00 45.01 ? ? ? ? ? . 404 CHT B C4 504 ATOM 5467 O O6 . CHT B 504 404 . 2.287 47.647 20.236 1.00 45.74 ? ? ? ? ? . 404 CHT B O6 504 #