data_SASDDJ2_MAIN # _sas_result.id 785 _sas_result.SASBDB_code SASDDJ2 _sas_result.experimental_MW 8.545 _sas_result.experimental_MW_error . _sas_result.MW_standard . _sas_result.MW_standard_error . _sas_result.MW_Porod 8.500 _sas_result.MW_Porod_error . _sas_result.I0_from_PR 52.1900000000 _sas_result.I0_from_PR_error . _sas_result.I0_from_Guinier 52.5400000000 _sas_result.I0_from_Guinier_error 0.0750000000 _sas_result.Rg_from_PR 1.270 _sas_result.Rg_from_PR_error . _sas_result.Rg_from_Guinier 1.290 _sas_result.Rg_from_Guinier_error 0.003 _sas_result.D_max 3.62 _sas_result.Porod_volume 13.60 _sas_result.Porod_volume_error . _sas_result.estimated_volume . _sas_result.estimated_volume_error . _sas_result.estimated_volume_method . _sas_result.Guinier_point_min 1 _sas_result.Guinier_point_max 132 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "Calcium-bound Phl p 7" _sas_scan.detc_id 17 _sas_scan.id 785 _sas_scan.measurement_date 2011-12-08 _sas_scan.storage_temperature . _sas_scan.cell_temperature 10.0 _sas_scan.exposure_time . _sas_scan.number_of_frames . _sas_scan.unit 1/A _sas_scan.qmin 0.0210 _sas_scan.qmax 0.3256 _sas_scan.sample_id 745 _sas_scan.result_id 785 _sas_scan.beam_id 31 # _sas_beam.id 31 _sas_beam.instrument_name "Advanced Light Source (ALS) 12.3.1 (SIBYLS)" _sas_beam.instrument_city "Berkeley, CA" _sas_beam.instrument_country USA _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.112700 _sas_beam.dist_spec_to_detc . # _sas_detc.id 17 _sas_detc.name "MAR 165 CCD" _sas_detc.type . _sas_detc.pixsize_x . # _sas_sample.id 745 _sas_sample.name "Calcium-bound polcalcin Phl p 7" _sas_sample.ext_coefficient . _sas_sample.contrast . _sas_sample.specific_vol . _sas_sample.purity_method . _sas_sample.dry_vol . _sas_sample.sample_MW . _sas_sample.specimen_concentration 5.00-15.00 _sas_sample.concentration_method . _sas_sample.entity_id 929 # _sas_buffer.id 455 _sas_buffer.name "0.15M NaCl, 0.025M Hepes, pH 7.4, 100 uM Ca2+" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 7.400 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 745 # _entity.id 929 _entity.type protein _entity.pdbx_description "polcalcin Phl p 7" _entity.formula_weight 8.545 _entity.pdbx_number_of_molecules 1 # _entity_name_com.entity_id 929 _entity_name_com.name . # _entity_poly.entity_id 929 _entity_poly.pdbx_seq_one_letter_code ADDMERIFKRFDTNGDGKISLSELTDALRTLGSTSADEVQRMMAEIDTDGDGFIDFNEFISFCNANPGLMKDVAKVF # _entity_src_gen.entity_id 929 _entity_src_gen.gene_src_common_name "Phleum pratense" # _struct_ref.id 1 _struct_ref.entity_id 929 _struct_ref.db_name UniProt _struct_ref.db_code O82040 _struct_ref.details http://www.uniprot.org/uniprot/O82040 # _citation.id 302 _citation.title "Solution structures of polcalcin Phl p 7 in three ligation states: Apo-, hemi-Mg2+-bound, and fully Ca2+-bound." _citation.year "2013 Feb" _citation.pdbx_database_id_DOI 10.1002/prot.24186 _citation.pdbx_database_id_PubMed 23011803 _citation.journal_abbrev Proteins _citation.journal_volume 81 _citation.journal_issue 2 _citation.page_first 300 _citation.page_last 315 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 302 1 "Henzl MT" 302 2 "Sirianni AG" 302 3 "Wycoff WG" 302 4 "Tan A" # _pdbx_contact_author.id 108 _pdbx_contact_author.name_first John _pdbx_contact_author.name_last Tanner _pdbx_contact_author.role . _pdbx_contact_author.address_1 Mizzou _pdbx_contact_author.address_2 "University of Missouri-Columbia" _pdbx_contact_author.address_3 "Columbia, MO, USA" # 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 2.097800E-02 5.014130E+01 9.100880E-01 785 2 2.158600E-02 5.020870E+01 8.877080E-01 785 3 2.219400E-02 5.080320E+01 8.862650E-01 785 4 2.280200E-02 5.101360E+01 8.424270E-01 785 5 2.341000E-02 5.171830E+01 7.728030E-01 785 6 2.401800E-02 5.081000E+01 7.518000E-01 785 7 2.462600E-02 5.082650E+01 7.570190E-01 785 8 2.523400E-02 4.998880E+01 7.295190E-01 785 9 2.584200E-02 5.098920E+01 7.242900E-01 785 10 2.645000E-02 5.086180E+01 6.852570E-01 785 11 2.705800E-02 5.108550E+01 6.690790E-01 785 12 2.766600E-02 5.120950E+01 6.116940E-01 785 13 2.827400E-02 5.032420E+01 6.679960E-01 785 14 2.888200E-02 5.022410E+01 5.587210E-01 785 15 2.949000E-02 5.109340E+01 6.547230E-01 785 16 3.009800E-02 5.073830E+01 4.863790E-01 785 17 3.070600E-02 5.020730E+01 4.900220E-01 785 18 3.131400E-02 4.944550E+01 5.053290E-01 785 19 3.192200E-02 4.982960E+01 4.804620E-01 785 20 3.253000E-02 4.911720E+01 4.817930E-01 785 21 3.313800E-02 4.979150E+01 4.996350E-01 785 22 3.374600E-02 4.828670E+01 5.667130E-01 785 23 3.435400E-02 4.873900E+01 5.314120E-01 785 24 3.496200E-02 4.924810E+01 4.915350E-01 785 25 3.557000E-02 4.888370E+01 4.409600E-01 785 26 3.617800E-02 4.932740E+01 4.837550E-01 785 27 3.678600E-02 4.865640E+01 5.508100E-01 785 28 3.739400E-02 4.792220E+01 5.353080E-01 785 29 3.800200E-02 4.808980E+01 4.703580E-01 785 30 3.861000E-02 4.804280E+01 4.901000E-01 785 31 3.921800E-02 4.771290E+01 4.301330E-01 785 32 3.982600E-02 4.783310E+01 4.654720E-01 785 33 4.043400E-02 4.793180E+01 4.411250E-01 785 34 4.104200E-02 4.783270E+01 4.408160E-01 785 35 4.165000E-02 4.738380E+01 4.494160E-01 785 36 4.225800E-02 4.765320E+01 4.576520E-01 785 37 4.286600E-02 4.776490E+01 4.929530E-01 785 38 4.347400E-02 4.772490E+01 4.490840E-01 785 39 4.408200E-02 4.729680E+01 4.199800E-01 785 40 4.469000E-02 4.738480E+01 4.056030E-01 785 41 4.529800E-02 4.810570E+01 3.717660E-01 785 42 4.590600E-02 4.771450E+01 3.774930E-01 785 43 4.651400E-02 4.750530E+01 4.309890E-01 785 44 4.712200E-02 4.694470E+01 3.326970E-01 785 45 4.773000E-02 4.612700E+01 3.229070E-01 785 46 4.833800E-02 4.609970E+01 3.373860E-01 785 47 4.894600E-02 4.592260E+01 3.651430E-01 785 48 4.955400E-02 4.558700E+01 3.315130E-01 785 49 5.016200E-02 4.515760E+01 3.026340E-01 785 50 5.077000E-02 4.536690E+01 3.033230E-01 785 51 5.137800E-02 4.532330E+01 3.156200E-01 785 52 5.198600E-02 4.532230E+01 2.996050E-01 785 53 5.259400E-02 4.438780E+01 3.094860E-01 785 54 5.320200E-02 4.516030E+01 3.215720E-01 785 55 5.381000E-02 4.380210E+01 3.032880E-01 785 56 5.441800E-02 4.415700E+01 2.819400E-01 785 57 5.502600E-02 4.382970E+01 3.181800E-01 785 58 5.563400E-02 4.387820E+01 3.265760E-01 785 59 5.624200E-02 4.379130E+01 3.148020E-01 785 60 5.685000E-02 4.328760E+01 3.271410E-01 785 61 5.745800E-02 4.368470E+01 3.036500E-01 785 62 5.806600E-02 4.325850E+01 3.345960E-01 785 63 5.867400E-02 4.371950E+01 3.134410E-01 785 64 5.928200E-02 4.362870E+01 3.111970E-01 785 65 5.989000E-02 4.392740E+01 3.195660E-01 785 66 6.049800E-02 4.375990E+01 3.062530E-01 785 67 6.110600E-02 4.317810E+01 2.995310E-01 785 68 6.171400E-02 4.295570E+01 3.106410E-01 785 69 6.232200E-02 4.214810E+01 3.458650E-01 785 70 6.293000E-02 4.204980E+01 2.866300E-01 785 71 6.353800E-02 4.167390E+01 3.001350E-01 785 72 6.414600E-02 4.121720E+01 2.882020E-01 785 73 6.475400E-02 4.110130E+01 3.132170E-01 785 74 6.536200E-02 4.133280E+01 2.900320E-01 785 75 6.597000E-02 4.106020E+01 3.148690E-01 785 76 6.657800E-02 4.114320E+01 2.796240E-01 785 77 6.718600E-02 4.150360E+01 2.961320E-01 785 78 6.779400E-02 4.111710E+01 2.948920E-01 785 79 6.840200E-02 4.114270E+01 2.777410E-01 785 80 6.901000E-02 4.044930E+01 2.883280E-01 785 81 6.961800E-02 3.947010E+01 2.701220E-01 785 82 7.022600E-02 3.938580E+01 2.573010E-01 785 83 7.083400E-02 3.931040E+01 2.483360E-01 785 84 7.144200E-02 3.947900E+01 2.761380E-01 785 85 7.205000E-02 4.000110E+01 2.747830E-01 785 86 7.265800E-02 3.950850E+01 2.927860E-01 785 87 7.326600E-02 3.931790E+01 2.733810E-01 785 88 7.387400E-02 3.898730E+01 2.711380E-01 785 89 7.448200E-02 3.845890E+01 2.766200E-01 785 90 7.509000E-02 3.847490E+01 2.726100E-01 785 91 7.569800E-02 3.833290E+01 2.442800E-01 785 92 7.630600E-02 3.836130E+01 2.749270E-01 785 93 7.691400E-02 3.762440E+01 2.560010E-01 785 94 7.752200E-02 3.803130E+01 2.612850E-01 785 95 7.813000E-02 3.726230E+01 2.402900E-01 785 96 7.873800E-02 3.681080E+01 2.261870E-01 785 97 7.934600E-02 3.657170E+01 2.275160E-01 785 98 7.995400E-02 3.653440E+01 2.368510E-01 785 99 8.056200E-02 3.665220E+01 2.519610E-01 785 100 8.117000E-02 3.663010E+01 2.373680E-01 785 101 8.177800E-02 3.620630E+01 2.632230E-01 785 102 8.238600E-02 3.602530E+01 2.378810E-01 785 103 8.299400E-02 3.604420E+01 2.441690E-01 785 104 8.360200E-02 3.544040E+01 2.326160E-01 785 105 8.421000E-02 3.545070E+01 2.208640E-01 785 106 8.481800E-02 3.557990E+01 2.354670E-01 785 107 8.542600E-02 3.584370E+01 2.431540E-01 785 108 8.603400E-02 3.505440E+01 2.266760E-01 785 109 8.664200E-02 3.464630E+01 2.301120E-01 785 110 8.725000E-02 3.442820E+01 2.444770E-01 785 111 8.785800E-02 3.381310E+01 2.438500E-01 785 112 8.846600E-02 3.398510E+01 2.455070E-01 785 113 8.907400E-02 3.350350E+01 2.391560E-01 785 114 8.968200E-02 3.335240E+01 2.399580E-01 785 115 9.029000E-02 3.319380E+01 2.397540E-01 785 116 9.089800E-02 3.320600E+01 2.544080E-01 785 117 9.150600E-02 3.295900E+01 2.272950E-01 785 118 9.211400E-02 3.310080E+01 2.289110E-01 785 119 9.272200E-02 3.289940E+01 2.303550E-01 785 120 9.333000E-02 3.249330E+01 2.206110E-01 785 121 9.393800E-02 3.209720E+01 2.320550E-01 785 122 9.454600E-02 3.171210E+01 2.308650E-01 785 123 9.515400E-02 3.176780E+01 2.224410E-01 785 124 9.576200E-02 3.173420E+01 2.203300E-01 785 125 9.637000E-02 3.145000E+01 1.996420E-01 785 126 9.697800E-02 3.090470E+01 2.023960E-01 785 127 9.758600E-02 3.116890E+01 2.153290E-01 785 128 9.819400E-02 3.061090E+01 2.076230E-01 785 129 9.880200E-02 3.073030E+01 2.018180E-01 785 130 9.941000E-02 3.054690E+01 2.024160E-01 785 131 1.000180E-01 3.010910E+01 2.137590E-01 785 132 1.006260E-01 2.977170E+01 1.967450E-01 785 133 1.012340E-01 2.962580E+01 2.059300E-01 785 134 1.018420E-01 2.938900E+01 2.069460E-01 785 135 1.024500E-01 2.912000E+01 1.940040E-01 785 136 1.030580E-01 2.913130E+01 2.002630E-01 785 137 1.036660E-01 2.860210E+01 2.082510E-01 785 138 1.042740E-01 2.808200E+01 1.861930E-01 785 139 1.048820E-01 2.825580E+01 1.805390E-01 785 140 1.054900E-01 2.818880E+01 1.833720E-01 785 141 1.060980E-01 2.794480E+01 1.785540E-01 785 142 1.067060E-01 2.775230E+01 1.942320E-01 785 143 1.073140E-01 2.744760E+01 1.891170E-01 785 144 1.079220E-01 2.730420E+01 1.924690E-01 785 145 1.085300E-01 2.712980E+01 1.961540E-01 785 146 1.091380E-01 2.674990E+01 2.012770E-01 785 147 1.097460E-01 2.648480E+01 1.949050E-01 785 148 1.103540E-01 2.655790E+01 2.117100E-01 785 149 1.109620E-01 2.630370E+01 2.326930E-01 785 150 1.115700E-01 2.624900E+01 2.143700E-01 785 151 1.121780E-01 2.551540E+01 2.565130E-01 785 152 1.127860E-01 2.532760E+01 2.179960E-01 785 153 1.133940E-01 2.515130E+01 1.943440E-01 785 154 1.140020E-01 2.492800E+01 1.808740E-01 785 155 1.146100E-01 2.505560E+01 1.864860E-01 785 156 1.152180E-01 2.459950E+01 1.741970E-01 785 157 1.158260E-01 2.462430E+01 1.785410E-01 785 158 1.164340E-01 2.449120E+01 1.818180E-01 785 159 1.170420E-01 2.445330E+01 1.929280E-01 785 160 1.176500E-01 2.433420E+01 1.871610E-01 785 161 1.182580E-01 2.416950E+01 1.828730E-01 785 162 1.188660E-01 2.400530E+01 1.844730E-01 785 163 1.194740E-01 2.337300E+01 1.365090E-01 785 164 1.200820E-01 2.329740E+01 9.536520E-02 785 165 1.206900E-01 2.324720E+01 9.491670E-02 785 166 1.212980E-01 2.294980E+01 9.872970E-02 785 167 1.219060E-01 2.278820E+01 9.498440E-02 785 168 1.225140E-01 2.255500E+01 9.274190E-02 785 169 1.231220E-01 2.216620E+01 9.215550E-02 785 170 1.237300E-01 2.200230E+01 9.433530E-02 785 171 1.243380E-01 2.179550E+01 9.828660E-02 785 172 1.249460E-01 2.176020E+01 9.542070E-02 785 173 1.255540E-01 2.158240E+01 8.993310E-02 785 174 1.261620E-01 2.127830E+01 9.674340E-02 785 175 1.267700E-01 2.115590E+01 9.796120E-02 785 176 1.273780E-01 2.092930E+01 9.625640E-02 785 177 1.279860E-01 2.057680E+01 9.613690E-02 785 178 1.285940E-01 2.048050E+01 9.777700E-02 785 179 1.292020E-01 2.031690E+01 9.008980E-02 785 180 1.298100E-01 2.004870E+01 9.663990E-02 785 181 1.304180E-01 1.989560E+01 9.239580E-02 785 182 1.310260E-01 1.968260E+01 9.539740E-02 785 183 1.316340E-01 1.961320E+01 9.945830E-02 785 184 1.322420E-01 1.943200E+01 9.524120E-02 785 185 1.328500E-01 1.916520E+01 1.192880E-01 785 186 1.334580E-01 1.892480E+01 2.155190E-01 785 187 1.340660E-01 1.900940E+01 1.227970E-01 785 188 1.346740E-01 1.868620E+01 9.281270E-02 785 189 1.352820E-01 1.862770E+01 9.716610E-02 785 190 1.358900E-01 1.836030E+01 6.899520E-02 785 191 1.364980E-01 1.811380E+01 6.597870E-02 785 192 1.371060E-01 1.792020E+01 6.526140E-02 785 193 1.377140E-01 1.771030E+01 6.769900E-02 785 194 1.383220E-01 1.747260E+01 6.670890E-02 785 195 1.389300E-01 1.725520E+01 7.031860E-02 785 196 1.395380E-01 1.708630E+01 6.680500E-02 785 197 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4.951930E-02 785 495 3.213300E-01 1.315300E+00 5.079550E-02 785 496 3.219380E-01 1.217090E+00 5.470240E-02 785 497 3.225460E-01 1.225770E+00 5.129370E-02 785 498 3.231540E-01 1.279140E+00 5.366580E-02 785 499 3.237620E-01 1.387440E+00 5.662210E-02 785 500 3.243700E-01 1.529980E+00 6.084970E-02 785 501 3.249780E-01 1.507660E+00 5.795600E-02 785 502 3.255860E-01 1.475080E+00 6.266140E-02 785 # _sas_p_of_R_details.id 785 _sas_p_of_R_details.intensity_id 785 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 502 _sas_p_of_R_details.qmin 0.020978 _sas_p_of_R_details.qmax 0.325586 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 502 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 36.19 # 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 785 1 0.000000E+00 0.000000E+00 0.000000E+00 785 2 2.033000E-01 2.818000E-03 3.164000E-05 785 3 4.066000E-01 5.621000E-03 6.040000E-05 785 4 6.099000E-01 8.409000E-03 8.627000E-05 785 5 8.133000E-01 1.118000E-02 1.093000E-04 785 6 1.017000E+00 1.394000E-02 1.295000E-04 785 7 1.220000E+00 1.669000E-02 1.469000E-04 785 8 1.423000E+00 1.942000E-02 1.616000E-04 785 9 1.627000E+00 2.215000E-02 1.737000E-04 785 10 1.830000E+00 2.486000E-02 1.831000E-04 785 11 2.033000E+00 2.757000E-02 1.900000E-04 785 12 2.236000E+00 3.027000E-02 1.945000E-04 785 13 2.440000E+00 3.296000E-02 1.966000E-04 785 14 2.643000E+00 3.565000E-02 1.964000E-04 785 15 2.846000E+00 3.834000E-02 1.941000E-04 785 16 3.050000E+00 4.103000E-02 1.897000E-04 785 17 3.253000E+00 4.372000E-02 1.835000E-04 785 18 3.456000E+00 4.641000E-02 1.754000E-04 785 19 3.660000E+00 4.911000E-02 1.657000E-04 785 20 3.863000E+00 5.182000E-02 1.545000E-04 785 21 4.066000E+00 5.454000E-02 1.420000E-04 785 22 4.270000E+00 5.727000E-02 1.283000E-04 785 23 4.473000E+00 6.002000E-02 1.138000E-04 785 24 4.676000E+00 6.278000E-02 9.857000E-05 785 25 4.880000E+00 6.557000E-02 8.322000E-05 785 26 5.083000E+00 6.837000E-02 6.840000E-05 785 27 5.286000E+00 7.120000E-02 5.544000E-05 785 28 5.489000E+00 7.405000E-02 4.678000E-05 785 29 5.693000E+00 7.693000E-02 4.563000E-05 785 30 5.896000E+00 7.983000E-02 5.284000E-05 785 31 6.099000E+00 8.277000E-02 6.582000E-05 785 32 6.303000E+00 8.574000E-02 8.184000E-05 785 33 6.506000E+00 8.874000E-02 9.931000E-05 785 34 6.709000E+00 9.177000E-02 1.174000E-04 785 35 6.913000E+00 9.484000E-02 1.356000E-04 785 36 7.116000E+00 9.794000E-02 1.536000E-04 785 37 7.319000E+00 1.011000E-01 1.711000E-04 785 38 7.523000E+00 1.043000E-01 1.881000E-04 785 39 7.726000E+00 1.075000E-01 2.044000E-04 785 40 7.929000E+00 1.107000E-01 2.198000E-04 785 41 8.133000E+00 1.140000E-01 2.342000E-04 785 42 8.336000E+00 1.173000E-01 2.476000E-04 785 43 8.539000E+00 1.206000E-01 2.599000E-04 785 44 8.743000E+00 1.240000E-01 2.709000E-04 785 45 8.946000E+00 1.274000E-01 2.806000E-04 785 46 9.149000E+00 1.308000E-01 2.890000E-04 785 47 9.352000E+00 1.343000E-01 2.961000E-04 785 48 9.556000E+00 1.378000E-01 3.017000E-04 785 49 9.759000E+00 1.413000E-01 3.059000E-04 785 50 9.962000E+00 1.448000E-01 3.086000E-04 785 51 1.017000E+01 1.483000E-01 3.099000E-04 785 52 1.037000E+01 1.518000E-01 3.097000E-04 785 53 1.057000E+01 1.554000E-01 3.081000E-04 785 54 1.078000E+01 1.589000E-01 3.051000E-04 785 55 1.098000E+01 1.624000E-01 3.007000E-04 785 56 1.118000E+01 1.660000E-01 2.950000E-04 785 57 1.139000E+01 1.695000E-01 2.880000E-04 785 58 1.159000E+01 1.730000E-01 2.799000E-04 785 59 1.179000E+01 1.765000E-01 2.706000E-04 785 60 1.200000E+01 1.799000E-01 2.603000E-04 785 61 1.220000E+01 1.833000E-01 2.491000E-04 785 62 1.240000E+01 1.867000E-01 2.372000E-04 785 63 1.261000E+01 1.900000E-01 2.247000E-04 785 64 1.281000E+01 1.933000E-01 2.119000E-04 785 65 1.301000E+01 1.965000E-01 1.988000E-04 785 66 1.322000E+01 1.997000E-01 1.859000E-04 785 67 1.342000E+01 2.027000E-01 1.735000E-04 785 68 1.362000E+01 2.057000E-01 1.620000E-04 785 69 1.383000E+01 2.087000E-01 1.519000E-04 785 70 1.403000E+01 2.115000E-01 1.436000E-04 785 71 1.423000E+01 2.142000E-01 1.378000E-04 785 72 1.444000E+01 2.168000E-01 1.349000E-04 785 73 1.464000E+01 2.193000E-01 1.352000E-04 785 74 1.484000E+01 2.217000E-01 1.385000E-04 785 75 1.505000E+01 2.240000E-01 1.448000E-04 785 76 1.525000E+01 2.261000E-01 1.534000E-04 785 77 1.545000E+01 2.281000E-01 1.639000E-04 785 78 1.566000E+01 2.300000E-01 1.757000E-04 785 79 1.586000E+01 2.317000E-01 1.883000E-04 785 80 1.606000E+01 2.332000E-01 2.014000E-04 785 81 1.627000E+01 2.346000E-01 2.147000E-04 785 82 1.647000E+01 2.359000E-01 2.278000E-04 785 83 1.667000E+01 2.369000E-01 2.405000E-04 785 84 1.688000E+01 2.378000E-01 2.526000E-04 785 85 1.708000E+01 2.386000E-01 2.640000E-04 785 86 1.728000E+01 2.391000E-01 2.746000E-04 785 87 1.749000E+01 2.395000E-01 2.842000E-04 785 88 1.769000E+01 2.396000E-01 2.928000E-04 785 89 1.789000E+01 2.396000E-01 3.002000E-04 785 90 1.809000E+01 2.394000E-01 3.064000E-04 785 91 1.830000E+01 2.390000E-01 3.114000E-04 785 92 1.850000E+01 2.384000E-01 3.152000E-04 785 93 1.870000E+01 2.376000E-01 3.177000E-04 785 94 1.891000E+01 2.366000E-01 3.189000E-04 785 95 1.911000E+01 2.354000E-01 3.188000E-04 785 96 1.931000E+01 2.341000E-01 3.175000E-04 785 97 1.952000E+01 2.325000E-01 3.150000E-04 785 98 1.972000E+01 2.307000E-01 3.113000E-04 785 99 1.992000E+01 2.288000E-01 3.066000E-04 785 100 2.013000E+01 2.266000E-01 3.010000E-04 785 101 2.033000E+01 2.243000E-01 2.945000E-04 785 102 2.053000E+01 2.218000E-01 2.873000E-04 785 103 2.074000E+01 2.191000E-01 2.795000E-04 785 104 2.094000E+01 2.162000E-01 2.715000E-04 785 105 2.114000E+01 2.132000E-01 2.633000E-04 785 106 2.135000E+01 2.100000E-01 2.553000E-04 785 107 2.155000E+01 2.066000E-01 2.477000E-04 785 108 2.175000E+01 2.031000E-01 2.408000E-04 785 109 2.196000E+01 1.995000E-01 2.349000E-04 785 110 2.216000E+01 1.957000E-01 2.304000E-04 785 111 2.236000E+01 1.917000E-01 2.276000E-04 785 112 2.257000E+01 1.876000E-01 2.265000E-04 785 113 2.277000E+01 1.835000E-01 2.276000E-04 785 114 2.297000E+01 1.792000E-01 2.306000E-04 785 115 2.318000E+01 1.748000E-01 2.357000E-04 785 116 2.338000E+01 1.703000E-01 2.427000E-04 785 117 2.358000E+01 1.657000E-01 2.513000E-04 785 118 2.379000E+01 1.610000E-01 2.613000E-04 785 119 2.399000E+01 1.563000E-01 2.724000E-04 785 120 2.419000E+01 1.515000E-01 2.843000E-04 785 121 2.440000E+01 1.467000E-01 2.967000E-04 785 122 2.460000E+01 1.418000E-01 3.093000E-04 785 123 2.480000E+01 1.369000E-01 3.219000E-04 785 124 2.501000E+01 1.320000E-01 3.343000E-04 785 125 2.521000E+01 1.270000E-01 3.462000E-04 785 126 2.541000E+01 1.221000E-01 3.575000E-04 785 127 2.562000E+01 1.172000E-01 3.680000E-04 785 128 2.582000E+01 1.123000E-01 3.775000E-04 785 129 2.602000E+01 1.074000E-01 3.859000E-04 785 130 2.623000E+01 1.025000E-01 3.932000E-04 785 131 2.643000E+01 9.771000E-02 3.991000E-04 785 132 2.663000E+01 9.295000E-02 4.038000E-04 785 133 2.684000E+01 8.826000E-02 4.070000E-04 785 134 2.704000E+01 8.364000E-02 4.088000E-04 785 135 2.724000E+01 7.910000E-02 4.092000E-04 785 136 2.745000E+01 7.464000E-02 4.081000E-04 785 137 2.765000E+01 7.028000E-02 4.057000E-04 785 138 2.785000E+01 6.602000E-02 4.020000E-04 785 139 2.806000E+01 6.186000E-02 3.971000E-04 785 140 2.826000E+01 5.783000E-02 3.911000E-04 785 141 2.846000E+01 5.391000E-02 3.842000E-04 785 142 2.867000E+01 5.011000E-02 3.766000E-04 785 143 2.887000E+01 4.645000E-02 3.685000E-04 785 144 2.907000E+01 4.292000E-02 3.602000E-04 785 145 2.928000E+01 3.953000E-02 3.520000E-04 785 146 2.948000E+01 3.628000E-02 3.442000E-04 785 147 2.968000E+01 3.317000E-02 3.373000E-04 785 148 2.989000E+01 3.022000E-02 3.316000E-04 785 149 3.009000E+01 2.741000E-02 3.274000E-04 785 150 3.029000E+01 2.475000E-02 3.252000E-04 785 151 3.050000E+01 2.225000E-02 3.251000E-04 785 152 3.070000E+01 1.989000E-02 3.274000E-04 785 153 3.090000E+01 1.769000E-02 3.319000E-04 785 154 3.111000E+01 1.564000E-02 3.387000E-04 785 155 3.131000E+01 1.374000E-02 3.476000E-04 785 156 3.151000E+01 1.198000E-02 3.581000E-04 785 157 3.172000E+01 1.037000E-02 3.699000E-04 785 158 3.192000E+01 8.898000E-03 3.825000E-04 785 159 3.212000E+01 7.564000E-03 3.955000E-04 785 160 3.233000E+01 6.364000E-03 4.084000E-04 785 161 3.253000E+01 5.292000E-03 4.206000E-04 785 162 3.273000E+01 4.344000E-03 4.317000E-04 785 163 3.294000E+01 3.513000E-03 4.411000E-04 785 164 3.314000E+01 2.793000E-03 4.485000E-04 785 165 3.334000E+01 2.179000E-03 4.533000E-04 785 166 3.355000E+01 1.661000E-03 4.550000E-04 785 167 3.375000E+01 1.235000E-03 4.532000E-04 785 168 3.395000E+01 8.903000E-04 4.475000E-04 785 169 3.416000E+01 6.202000E-04 4.374000E-04 785 170 3.436000E+01 4.157000E-04 4.224000E-04 785 171 3.456000E+01 2.682000E-04 4.022000E-04 785 172 3.477000E+01 1.685000E-04 3.763000E-04 785 173 3.497000E+01 1.072000E-04 3.443000E-04 785 174 3.517000E+01 7.483000E-05 3.057000E-04 785 175 3.538000E+01 6.157000E-05 2.601000E-04 785 176 3.558000E+01 5.753000E-05 2.072000E-04 785 177 3.578000E+01 5.267000E-05 1.464000E-04 785 178 3.599000E+01 3.689000E-05 7.750000E-05 785 179 3.619000E+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 785 1 0.000000E+00 5.219180E+01 785 2 7.492140E-04 5.219000E+01 785 3 1.498430E-03 5.218540E+01 785 4 2.247640E-03 5.217750E+01 785 5 2.996860E-03 5.216660E+01 785 6 3.746070E-03 5.215250E+01 785 7 4.495290E-03 5.213530E+01 785 8 5.244500E-03 5.211500E+01 785 9 5.993710E-03 5.209160E+01 785 10 6.742930E-03 5.206510E+01 785 11 7.492140E-03 5.203540E+01 785 12 8.241360E-03 5.200270E+01 785 13 8.990570E-03 5.196690E+01 785 14 9.739790E-03 5.192790E+01 785 15 1.048900E-02 5.188590E+01 785 16 1.123820E-02 5.184080E+01 785 17 1.198740E-02 5.179260E+01 785 18 1.273660E-02 5.174140E+01 785 19 1.348590E-02 5.168710E+01 785 20 1.423510E-02 5.162980E+01 785 21 1.498430E-02 5.156940E+01 785 22 1.573350E-02 5.150600E+01 785 23 1.648270E-02 5.143950E+01 785 24 1.723190E-02 5.137010E+01 785 25 1.798110E-02 5.129770E+01 785 26 1.873040E-02 5.122220E+01 785 27 1.947960E-02 5.114380E+01 785 28 2.022880E-02 5.106250E+01 785 29 2.097800E-02 5.097820E+01 785 30 2.158600E-02 5.090760E+01 785 31 2.219400E-02 5.083510E+01 785 32 2.280200E-02 5.076060E+01 785 33 2.341000E-02 5.068430E+01 785 34 2.401800E-02 5.060600E+01 785 35 2.462600E-02 5.052590E+01 785 36 2.523400E-02 5.044390E+01 785 37 2.584200E-02 5.035990E+01 785 38 2.645000E-02 5.027420E+01 785 39 2.705800E-02 5.018650E+01 785 40 2.766600E-02 5.009700E+01 785 41 2.827400E-02 5.000570E+01 785 42 2.888200E-02 4.991250E+01 785 43 2.949000E-02 4.981750E+01 785 44 3.009800E-02 4.972070E+01 785 45 3.070600E-02 4.962200E+01 785 46 3.131400E-02 4.952160E+01 785 47 3.192200E-02 4.941940E+01 785 48 3.253000E-02 4.931540E+01 785 49 3.313800E-02 4.920970E+01 785 50 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1.037520E+00 785 492 3.024820E-01 1.043030E+00 785 493 3.030900E-01 1.048540E+00 785 494 3.036980E-01 1.054060E+00 785 495 3.043060E-01 1.059570E+00 785 496 3.049140E-01 1.065090E+00 785 497 3.055220E-01 1.070610E+00 785 498 3.061300E-01 1.076120E+00 785 499 3.067380E-01 1.081610E+00 785 500 3.073460E-01 1.087100E+00 785 501 3.079540E-01 1.092570E+00 785 502 3.085620E-01 1.098020E+00 785 503 3.091700E-01 1.103460E+00 785 504 3.097780E-01 1.108870E+00 785 505 3.103860E-01 1.114250E+00 785 506 3.109940E-01 1.119610E+00 785 507 3.116020E-01 1.124940E+00 785 508 3.122100E-01 1.130240E+00 785 509 3.128180E-01 1.135500E+00 785 510 3.134260E-01 1.140720E+00 785 511 3.140340E-01 1.145910E+00 785 512 3.146420E-01 1.151050E+00 785 513 3.152500E-01 1.156160E+00 785 514 3.158580E-01 1.161210E+00 785 515 3.164660E-01 1.166220E+00 785 516 3.170740E-01 1.171180E+00 785 517 3.176820E-01 1.176090E+00 785 518 3.182900E-01 1.180950E+00 785 519 3.188980E-01 1.185760E+00 785 520 3.195060E-01 1.190510E+00 785 521 3.201140E-01 1.195200E+00 785 522 3.207220E-01 1.199830E+00 785 523 3.213300E-01 1.204400E+00 785 524 3.219380E-01 1.208910E+00 785 525 3.225460E-01 1.213350E+00 785 526 3.231540E-01 1.217740E+00 785 527 3.237620E-01 1.222050E+00 785 528 3.243700E-01 1.226300E+00 785 529 3.249780E-01 1.230480E+00 785 530 3.255860E-01 1.234580E+00 # data_SASDDJ2_FIT_1240 # _sas_model_fitting_details.id 1240 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 3.74441090663 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 785 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 1240 1 2.098000E-02 5.014130E+01 5.014130E+01 1240 2 2.159000E-02 5.020870E+01 5.020870E+01 1240 3 2.219000E-02 5.080320E+01 5.080320E+01 1240 4 2.280000E-02 5.101360E+01 5.101360E+01 1240 5 2.341000E-02 5.171830E+01 5.171830E+01 1240 6 2.402000E-02 5.081000E+01 5.081000E+01 1240 7 2.463000E-02 5.082650E+01 5.082650E+01 1240 8 2.523000E-02 4.998880E+01 4.998880E+01 1240 9 2.584000E-02 5.098920E+01 5.098920E+01 1240 10 2.645000E-02 5.086180E+01 5.086180E+01 1240 11 2.706000E-02 5.108550E+01 5.108550E+01 1240 12 2.767000E-02 5.120950E+01 5.120950E+01 1240 13 2.827000E-02 5.032420E+01 5.032420E+01 1240 14 2.888000E-02 5.022410E+01 5.022410E+01 1240 15 2.949000E-02 5.109340E+01 5.109340E+01 1240 16 3.010000E-02 5.073830E+01 5.073830E+01 1240 17 3.071000E-02 5.020730E+01 5.020730E+01 1240 18 3.131000E-02 4.944550E+01 4.944550E+01 1240 19 3.192000E-02 4.982960E+01 4.982960E+01 1240 20 3.253000E-02 4.911720E+01 4.911720E+01 1240 21 3.314000E-02 4.979150E+01 4.979150E+01 1240 22 3.375000E-02 4.828670E+01 4.828670E+01 1240 23 3.435000E-02 4.873900E+01 4.873900E+01 1240 24 3.496000E-02 4.924810E+01 4.924810E+01 1240 25 3.557000E-02 4.888370E+01 4.888370E+01 1240 26 3.618000E-02 4.932740E+01 4.932740E+01 1240 27 3.679000E-02 4.865640E+01 4.865640E+01 1240 28 3.739000E-02 4.792220E+01 4.792220E+01 1240 29 3.800000E-02 4.808980E+01 4.808980E+01 1240 30 3.861000E-02 4.804280E+01 4.804280E+01 1240 31 3.922000E-02 4.771290E+01 4.771290E+01 1240 32 3.983000E-02 4.783310E+01 4.783310E+01 1240 33 4.043000E-02 4.793180E+01 4.793180E+01 1240 34 4.104000E-02 4.783270E+01 4.783270E+01 1240 35 4.165000E-02 4.738380E+01 4.738380E+01 1240 36 4.226000E-02 4.765320E+01 4.765320E+01 1240 37 4.287000E-02 4.776490E+01 4.776490E+01 1240 38 4.347000E-02 4.772490E+01 4.772490E+01 1240 39 4.408000E-02 4.729680E+01 4.729680E+01 1240 40 4.469000E-02 4.738480E+01 4.738480E+01 1240 41 4.530000E-02 4.810570E+01 4.810570E+01 1240 42 4.591000E-02 4.771450E+01 4.771450E+01 1240 43 4.651000E-02 4.750530E+01 4.750530E+01 1240 44 4.712000E-02 4.694470E+01 4.694470E+01 1240 45 4.773000E-02 4.612700E+01 4.612700E+01 1240 46 4.834000E-02 4.609970E+01 4.609970E+01 1240 47 4.895000E-02 4.592260E+01 4.592260E+01 1240 48 4.955000E-02 4.558700E+01 4.558700E+01 1240 49 5.016000E-02 4.515760E+01 4.515760E+01 1240 50 5.077000E-02 4.536690E+01 4.536690E+01 1240 51 5.138000E-02 4.532330E+01 4.532330E+01 1240 52 5.199000E-02 4.532230E+01 4.532230E+01 1240 53 5.259000E-02 4.438780E+01 4.438780E+01 1240 54 5.320000E-02 4.516030E+01 4.516030E+01 1240 55 5.381000E-02 4.380210E+01 4.380210E+01 1240 56 5.442000E-02 4.415700E+01 4.415700E+01 1240 57 5.503000E-02 4.382970E+01 4.382970E+01 1240 58 5.563000E-02 4.387820E+01 4.387820E+01 1240 59 5.624000E-02 4.379130E+01 4.379130E+01 1240 60 5.685000E-02 4.328760E+01 4.328760E+01 1240 61 5.746000E-02 4.368470E+01 4.368470E+01 1240 62 5.807000E-02 4.325850E+01 4.325850E+01 1240 63 5.867000E-02 4.371950E+01 4.371950E+01 1240 64 5.928000E-02 4.362870E+01 4.362870E+01 1240 65 5.989000E-02 4.392740E+01 4.392740E+01 1240 66 6.050000E-02 4.375990E+01 4.375990E+01 1240 67 6.111000E-02 4.317810E+01 4.317810E+01 1240 68 6.171000E-02 4.295570E+01 4.295570E+01 1240 69 6.232000E-02 4.214810E+01 4.214810E+01 1240 70 6.293000E-02 4.204980E+01 4.204980E+01 1240 71 6.354000E-02 4.167390E+01 4.167390E+01 1240 72 6.415000E-02 4.121720E+01 4.121720E+01 1240 73 6.475000E-02 4.110130E+01 4.110130E+01 1240 74 6.536000E-02 4.133280E+01 4.133280E+01 1240 75 6.597000E-02 4.106020E+01 4.106020E+01 1240 76 6.658000E-02 4.114320E+01 4.114320E+01 1240 77 6.719000E-02 4.150360E+01 4.150360E+01 1240 78 6.779000E-02 4.111710E+01 4.111710E+01 1240 79 6.840000E-02 4.114270E+01 4.114270E+01 1240 80 6.901000E-02 4.044930E+01 4.044930E+01 1240 81 6.962000E-02 3.947010E+01 3.947010E+01 1240 82 7.023000E-02 3.938580E+01 3.938580E+01 1240 83 7.083000E-02 3.931040E+01 3.931040E+01 1240 84 7.144000E-02 3.947900E+01 3.947900E+01 1240 85 7.205000E-02 4.000110E+01 4.000110E+01 1240 86 7.266000E-02 3.950850E+01 3.950850E+01 1240 87 7.327000E-02 3.931790E+01 3.931790E+01 1240 88 7.387000E-02 3.898730E+01 3.898730E+01 1240 89 7.448000E-02 3.845890E+01 3.845890E+01 1240 90 7.509000E-02 3.847490E+01 3.847490E+01 1240 91 7.570000E-02 3.833290E+01 3.833290E+01 1240 92 7.631000E-02 3.836130E+01 3.836130E+01 1240 93 7.691000E-02 3.762440E+01 3.762440E+01 1240 94 7.752000E-02 3.803130E+01 3.803130E+01 1240 95 7.813000E-02 3.726230E+01 3.726230E+01 1240 96 7.874000E-02 3.681080E+01 3.681080E+01 1240 97 7.935000E-02 3.657170E+01 3.657170E+01 1240 98 7.995000E-02 3.653440E+01 3.653440E+01 1240 99 8.056000E-02 3.665220E+01 3.665220E+01 1240 100 8.117000E-02 3.663010E+01 3.663010E+01 1240 101 8.178000E-02 3.620630E+01 3.620630E+01 1240 102 8.239000E-02 3.602530E+01 3.602530E+01 1240 103 8.299000E-02 3.604420E+01 3.604420E+01 1240 104 8.360000E-02 3.544040E+01 3.544040E+01 1240 105 8.421000E-02 3.545070E+01 3.545070E+01 1240 106 8.482000E-02 3.557990E+01 3.557990E+01 1240 107 8.543000E-02 3.584370E+01 3.584370E+01 1240 108 8.603000E-02 3.505440E+01 3.505440E+01 1240 109 8.664000E-02 3.464630E+01 3.464630E+01 1240 110 8.725000E-02 3.442820E+01 3.442820E+01 1240 111 8.786000E-02 3.381310E+01 3.381310E+01 1240 112 8.847000E-02 3.398510E+01 3.398510E+01 1240 113 8.907000E-02 3.350350E+01 3.350350E+01 1240 114 8.968000E-02 3.335240E+01 3.335240E+01 1240 115 9.029000E-02 3.319380E+01 3.319380E+01 1240 116 9.090000E-02 3.320600E+01 3.320600E+01 1240 117 9.151000E-02 3.295900E+01 3.295900E+01 1240 118 9.211000E-02 3.310080E+01 3.310080E+01 1240 119 9.272000E-02 3.289940E+01 3.289940E+01 1240 120 9.333000E-02 3.249330E+01 3.249330E+01 1240 121 9.394000E-02 3.209720E+01 3.209720E+01 1240 122 9.455000E-02 3.171210E+01 3.171210E+01 1240 123 9.515000E-02 3.176780E+01 3.176780E+01 1240 124 9.576000E-02 3.173420E+01 3.173420E+01 1240 125 9.637000E-02 3.145000E+01 3.145000E+01 1240 126 9.698000E-02 3.090470E+01 3.090470E+01 1240 127 9.759000E-02 3.116890E+01 3.116890E+01 1240 128 9.819000E-02 3.061090E+01 3.061090E+01 1240 129 9.880000E-02 3.073030E+01 3.073030E+01 1240 130 9.941000E-02 3.054690E+01 3.054690E+01 1240 131 1.000200E-01 3.010910E+01 3.010910E+01 1240 132 1.006300E-01 2.977170E+01 2.977170E+01 1240 133 1.012300E-01 2.962580E+01 2.962580E+01 1240 134 1.018400E-01 2.938900E+01 2.938900E+01 1240 135 1.024500E-01 2.912000E+01 2.912000E+01 1240 136 1.030600E-01 2.913130E+01 2.913130E+01 1240 137 1.036700E-01 2.860210E+01 2.860210E+01 1240 138 1.042700E-01 2.808200E+01 2.808200E+01 1240 139 1.048800E-01 2.825580E+01 2.825580E+01 1240 140 1.054900E-01 2.818880E+01 2.818880E+01 1240 141 1.061000E-01 2.794480E+01 2.794480E+01 1240 142 1.067100E-01 2.775230E+01 2.775230E+01 1240 143 1.073100E-01 2.744760E+01 2.744760E+01 1240 144 1.079200E-01 2.730420E+01 2.730420E+01 1240 145 1.085300E-01 2.712980E+01 2.712980E+01 1240 146 1.091400E-01 2.674990E+01 2.674990E+01 1240 147 1.097500E-01 2.648480E+01 2.648480E+01 1240 148 1.103500E-01 2.655790E+01 2.655790E+01 1240 149 1.109600E-01 2.630370E+01 2.630370E+01 1240 150 1.115700E-01 2.624900E+01 2.624900E+01 1240 151 1.121800E-01 2.551540E+01 2.551540E+01 1240 152 1.127900E-01 2.532760E+01 2.532760E+01 1240 153 1.133900E-01 2.515130E+01 2.515130E+01 1240 154 1.140000E-01 2.492800E+01 2.492800E+01 1240 155 1.146100E-01 2.505560E+01 2.505560E+01 1240 156 1.152200E-01 2.459950E+01 2.459950E+01 1240 157 1.158300E-01 2.462430E+01 2.462430E+01 1240 158 1.164300E-01 2.449120E+01 2.449120E+01 1240 159 1.170400E-01 2.445330E+01 2.445330E+01 1240 160 1.176500E-01 2.433420E+01 2.433420E+01 1240 161 1.182600E-01 2.416950E+01 2.416950E+01 1240 162 1.188700E-01 2.400530E+01 2.400530E+01 1240 163 1.194700E-01 2.337300E+01 2.337300E+01 1240 164 1.200800E-01 2.329740E+01 2.329740E+01 1240 165 1.206900E-01 2.324720E+01 2.324720E+01 1240 166 1.213000E-01 2.294980E+01 2.294980E+01 1240 167 1.219100E-01 2.278820E+01 2.278820E+01 1240 168 1.225100E-01 2.255500E+01 2.255500E+01 1240 169 1.231200E-01 2.216620E+01 2.216620E+01 1240 170 1.237300E-01 2.200230E+01 2.200230E+01 1240 171 1.243400E-01 2.179550E+01 2.179550E+01 1240 172 1.249500E-01 2.176020E+01 2.176020E+01 1240 173 1.255500E-01 2.158240E+01 2.158240E+01 1240 174 1.261600E-01 2.127830E+01 2.127830E+01 1240 175 1.267700E-01 2.115590E+01 2.115590E+01 1240 176 1.273800E-01 2.092930E+01 2.092930E+01 1240 177 1.279900E-01 2.057680E+01 2.057680E+01 1240 178 1.285900E-01 2.048050E+01 2.048050E+01 1240 179 1.292000E-01 2.031690E+01 2.031690E+01 1240 180 1.298100E-01 2.004870E+01 2.004870E+01 1240 181 1.304200E-01 1.989560E+01 1.989560E+01 1240 182 1.310300E-01 1.968260E+01 1.968260E+01 1240 183 1.316300E-01 1.961320E+01 1.961320E+01 1240 184 1.322400E-01 1.943200E+01 1.943200E+01 1240 185 1.328500E-01 1.916520E+01 1.916520E+01 1240 186 1.334600E-01 1.892480E+01 1.892480E+01 1240 187 1.340700E-01 1.900940E+01 1.900940E+01 1240 188 1.346700E-01 1.868620E+01 1.868620E+01 1240 189 1.352800E-01 1.862770E+01 1.862770E+01 1240 190 1.358900E-01 1.836030E+01 1.836030E+01 1240 191 1.365000E-01 1.811380E+01 1.811380E+01 1240 192 1.371100E-01 1.792020E+01 1.792020E+01 1240 193 1.377100E-01 1.771030E+01 1.771030E+01 1240 194 1.383200E-01 1.747260E+01 1.747260E+01 1240 195 1.389300E-01 1.725520E+01 1.725520E+01 1240 196 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1240 217 1.523100E-01 1.345330E+01 1.345330E+01 1240 218 1.529100E-01 1.334150E+01 1.334150E+01 1240 219 1.535200E-01 1.315810E+01 1.315810E+01 1240 220 1.541300E-01 1.301100E+01 1.301100E+01 1240 221 1.547400E-01 1.287130E+01 1.287130E+01 1240 222 1.553500E-01 1.263300E+01 1.263300E+01 1240 223 1.559500E-01 1.258580E+01 1.258580E+01 1240 224 1.565600E-01 1.231740E+01 1.231740E+01 1240 225 1.571700E-01 1.234710E+01 1.234710E+01 1240 226 1.577800E-01 1.206150E+01 1.206150E+01 1240 227 1.583900E-01 1.206770E+01 1.206770E+01 1240 228 1.589900E-01 1.190460E+01 1.190460E+01 1240 229 1.596000E-01 1.175000E+01 1.175000E+01 1240 230 1.602100E-01 1.165770E+01 1.165770E+01 1240 231 1.608200E-01 1.148420E+01 1.148420E+01 1240 232 1.614300E-01 1.111970E+01 1.111970E+01 1240 233 1.620300E-01 1.112910E+01 1.112910E+01 1240 234 1.626400E-01 1.096580E+01 1.096580E+01 1240 235 1.632500E-01 1.090730E+01 1.090730E+01 1240 236 1.638600E-01 1.083530E+01 1.083530E+01 1240 237 1.644700E-01 1.065660E+01 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2.909300E-01 9.076740E-01 9.076740E-01 1240 446 2.915400E-01 9.432370E-01 9.432370E-01 1240 447 2.921500E-01 9.667340E-01 9.667340E-01 1240 448 2.927500E-01 8.933090E-01 8.933090E-01 1240 449 2.933600E-01 8.916760E-01 8.916760E-01 1240 450 2.939700E-01 9.039380E-01 9.039380E-01 1240 451 2.945800E-01 9.020540E-01 9.020540E-01 1240 452 2.951900E-01 9.208600E-01 9.208600E-01 1240 453 2.957900E-01 1.017720E+00 1.017720E+00 1240 454 2.964000E-01 9.945550E-01 9.945550E-01 1240 455 2.970100E-01 9.721010E-01 9.721010E-01 1240 456 2.976200E-01 9.290350E-01 9.290350E-01 1240 457 2.982300E-01 9.676980E-01 9.676980E-01 1240 458 2.988300E-01 9.996380E-01 9.996380E-01 1240 459 2.994400E-01 9.560550E-01 9.560550E-01 1240 460 3.000500E-01 9.688090E-01 9.688090E-01 1240 461 3.006600E-01 1.066340E+00 1.066340E+00 1240 462 3.012700E-01 1.149690E+00 1.149690E+00 1240 463 3.018700E-01 1.084650E+00 1.084650E+00 1240 464 3.024800E-01 1.079690E+00 1.079690E+00 1240 465 3.030900E-01 1.111930E+00 1.111930E+00 1240 466 3.037000E-01 1.032400E+00 1.032400E+00 1240 467 3.043100E-01 1.078940E+00 1.078940E+00 1240 468 3.049100E-01 1.083950E+00 1.083950E+00 1240 469 3.055200E-01 1.074470E+00 1.074470E+00 1240 470 3.061300E-01 1.174200E+00 1.174200E+00 1240 471 3.067400E-01 1.113220E+00 1.113220E+00 1240 472 3.073500E-01 1.139860E+00 1.139860E+00 1240 473 3.079500E-01 1.127900E+00 1.127900E+00 1240 474 3.085600E-01 1.087120E+00 1.087120E+00 1240 475 3.091700E-01 1.110760E+00 1.110760E+00 1240 476 3.097800E-01 1.103100E+00 1.103100E+00 1240 477 3.103900E-01 1.136840E+00 1.136840E+00 1240 478 3.109900E-01 1.207810E+00 1.207810E+00 1240 479 3.116000E-01 1.218950E+00 1.218950E+00 1240 480 3.122100E-01 1.224310E+00 1.224310E+00 1240 481 3.128200E-01 1.272250E+00 1.272250E+00 1240 482 3.134300E-01 1.286460E+00 1.286460E+00 1240 483 3.140300E-01 1.313690E+00 1.313690E+00 1240 484 3.146400E-01 1.286860E+00 1.286860E+00 1240 485 3.152500E-01 1.258350E+00 1.258350E+00 1240 486 3.158600E-01 1.200350E+00 1.200350E+00 1240 487 3.164700E-01 1.254010E+00 1.254010E+00 1240 488 3.170700E-01 1.241080E+00 1.241080E+00 1240 489 3.176800E-01 1.321760E+00 1.321760E+00 1240 490 3.182900E-01 1.333980E+00 1.333980E+00 1240 491 3.189000E-01 1.370270E+00 1.370270E+00 1240 492 3.195100E-01 1.349040E+00 1.349040E+00 1240 493 3.201100E-01 1.393160E+00 1.393160E+00 1240 494 3.207200E-01 1.319430E+00 1.319430E+00 1240 495 3.213300E-01 1.315300E+00 1.315300E+00 1240 496 3.219400E-01 1.217090E+00 1.217090E+00 1240 497 3.225500E-01 1.225770E+00 1.225770E+00 1240 498 3.231500E-01 1.279140E+00 1.279140E+00 1240 499 3.237600E-01 1.387440E+00 1.387440E+00 1240 500 3.243700E-01 1.529980E+00 1.529980E+00 1240 501 3.249800E-01 1.507660E+00 1.507660E+00 1240 502 3.255900E-01 1.475080E+00 1.475080E+00 # data_SASDDJ2_MODEL_1715 # _sas_model.id 1715 _sas_model.type_of_model atomic _sas_model.version . _sas_model.symmetry . _sas_model.comment . _sas_model.fitting_id 1240 _sas_model.radius 1.90 # loop_ _atom_site.group_PDB _atom_site.id _atom_site.type_symbol _atom_site.label_atom_id _atom_site.label_alt_id _atom_site.label_comp_id _atom_site.label_asym_id _atom_site.label_entity_id _atom_site.label_seq_id _atom_site.pdbx_PDB_ins_code _atom_site.Cartn_x _atom_site.Cartn_y _atom_site.Cartn_z _atom_site.occupancy _atom_site.B_iso_or_equiv _atom_site.Cartn_x_esd _atom_site.Cartn_y_esd _atom_site.Cartn_z_esd _atom_site.occupancy_esd _atom_site.B_iso_or_equiv_esd _atom_site.pdbx_formal_charge _atom_site.auth_seq_id _atom_site.auth_comp_id _atom_site.auth_asym_id _atom_site.auth_atom_id _atom_site.pdbx_PDB_model_num ATOM 1 N N . ALA A 1715 1 . 2.518 -2.347 2.673 1.00 4.42 ? ? ? ? ? . 1 ALA A N 1715 ATOM 2 H H . ALA A 1715 1 . 2.565 -2.050 3.606 1.00 61.21 ? ? ? ? ? . 1 ALA A H 1715 ATOM 3 C CA . ALA A 1715 1 . 3.080 -1.499 1.629 1.00 62.12 ? ? ? ? ? . 1 ALA A CA 1715 ATOM 4 H HA . ALA A 1715 1 . 2.265 -1.135 1.020 1.00 10.21 ? ? ? ? ? . 1 ALA A HA 1715 ATOM 5 C CB . ALA A 1715 1 . 3.783 -0.298 2.245 1.00 60.33 ? ? ? ? ? . 1 ALA A CB 1715 ATOM 6 H 1HB . ALA A 1715 1 . 3.140 0.152 2.987 1.00 41.42 ? ? ? ? ? . 1 ALA A 1HB 1715 ATOM 7 H 2HB . ALA A 1715 1 . 4.702 -0.620 2.711 1.00 1.24 ? ? ? ? ? . 1 ALA A 2HB 1715 ATOM 8 H 3HB . ALA A 1715 1 . 4.004 0.424 1.473 1.00 31.10 ? ? ? ? ? . 1 ALA A 3HB 1715 ATOM 9 C C . ALA A 1715 1 . 4.044 -2.283 0.745 1.00 25.01 ? ? ? ? ? . 1 ALA A C 1715 ATOM 10 O O . ALA A 1715 1 . 4.480 -3.377 1.104 1.00 72.44 ? ? ? ? ? . 1 ALA A O 1715 ATOM 11 N N . ASP A 1715 2 . 4.374 -1.717 -0.411 1.00 15.13 ? ? ? ? ? . 2 ASP A N 1715 ATOM 12 H H . ASP A 1715 2 . 3.993 -0.843 -0.640 1.00 44.12 ? ? ? ? ? . 2 ASP A H 1715 ATOM 13 C CA . ASP A 1715 2 . 5.287 -2.363 -1.346 1.00 20.11 ? ? ? ? ? . 2 ASP A CA 1715 ATOM 14 H HA . ASP A 1715 2 . 5.689 -3.241 -0.864 1.00 32.43 ? ? ? ? ? . 2 ASP A HA 1715 ATOM 15 C CB . ASP A 1715 2 . 4.539 -2.789 -2.611 1.00 4.45 ? ? ? ? ? . 2 ASP A CB 1715 ATOM 16 H 2HB . ASP A 1715 2 . 4.261 -1.907 -3.170 1.00 71.41 ? ? ? ? ? . 2 ASP A 2HB 1715 ATOM 17 H 3HB . ASP A 1715 2 . 5.189 -3.404 -3.215 1.00 44.43 ? ? ? ? ? . 2 ASP A 3HB 1715 ATOM 18 C CG . ASP A 1715 2 . 3.282 -3.577 -2.302 1.00 32.10 ? ? ? ? ? . 2 ASP A CG 1715 ATOM 19 O OD1 . ASP A 1715 2 . 2.318 -3.491 -3.092 1.00 2.31 ? ? ? ? ? . 2 ASP A OD1 1715 ATOM 20 O OD2 . ASP A 1715 2 . 3.262 -4.281 -1.271 1.00 74.31 ? ? ? ? ? . 2 ASP A OD2 1715 ATOM 21 C C . ASP A 1715 2 . 6.440 -1.433 -1.710 1.00 53.32 ? ? ? ? ? . 2 ASP A C 1715 ATOM 22 O O . ASP A 1715 2 . 6.715 -1.201 -2.888 1.00 22.14 ? ? ? ? ? . 2 ASP A O 1715 ATOM 23 N N . ASP A 1715 3 . 7.109 -0.902 -0.693 1.00 14.42 ? ? ? ? ? . 3 ASP A N 1715 ATOM 24 H H . ASP A 1715 3 . 6.841 -1.125 0.224 1.00 41.44 ? ? ? ? ? . 3 ASP A H 1715 ATOM 25 C CA . ASP A 1715 3 . 8.232 0.004 -0.906 1.00 33.04 ? ? ? ? ? . 3 ASP A CA 1715 ATOM 26 H HA . ASP A 1715 3 . 7.955 0.698 -1.685 1.00 10.25 ? ? ? ? ? . 3 ASP A HA 1715 ATOM 27 C CB . ASP A 1715 3 . 8.533 0.787 0.373 1.00 31.45 ? ? ? ? ? . 3 ASP A CB 1715 ATOM 28 H 2HB . ASP A 1715 3 . 9.086 0.154 1.053 1.00 13.21 ? ? ? ? ? . 3 ASP A 2HB 1715 ATOM 29 H 3HB . ASP A 1715 3 . 9.131 1.651 0.126 1.00 13.42 ? ? ? ? ? . 3 ASP A 3HB 1715 ATOM 30 C CG . ASP A 1715 3 . 7.274 1.257 1.074 1.00 13.04 ? ? ? ? ? . 3 ASP A CG 1715 ATOM 31 O OD1 . ASP A 1715 3 . 6.556 2.104 0.501 1.00 5.15 ? ? ? ? ? . 3 ASP A OD1 1715 ATOM 32 O OD2 . ASP A 1715 3 . 7.005 0.778 2.196 1.00 72.45 ? ? ? ? ? . 3 ASP A OD2 1715 ATOM 33 C C . ASP A 1715 3 . 9.472 -0.764 -1.351 1.00 23.12 ? ? ? ? ? . 3 ASP A C 1715 ATOM 34 O O . ASP A 1715 3 . 10.281 -0.259 -2.129 1.00 73.11 ? ? ? ? ? . 3 ASP A O 1715 ATOM 35 N N . MET A 1715 4 . 9.616 -1.987 -0.851 1.00 1.15 ? ? ? ? ? . 4 MET A N 1715 ATOM 36 H H . MET A 1715 4 . 8.938 -2.335 -0.234 1.00 61.24 ? ? ? ? ? . 4 MET A H 1715 ATOM 37 C CA . MET A 1715 4 . 10.758 -2.825 -1.197 1.00 45.52 ? ? ? ? ? . 4 MET A CA 1715 ATOM 38 H HA . MET A 1715 4 . 11.657 -2.274 -0.961 1.00 55.44 ? ? ? ? ? . 4 MET A HA 1715 ATOM 39 C CB . MET A 1715 4 . 10.738 -4.116 -0.378 1.00 60.50 ? ? ? ? ? . 4 MET A CB 1715 ATOM 40 H 2HB . MET A 1715 4 . 9.867 -4.691 -0.655 1.00 54.40 ? ? ? ? ? . 4 MET A 2HB 1715 ATOM 41 H 3HB . MET A 1715 4 . 11.624 -4.689 -0.608 1.00 4.24 ? ? ? ? ? . 4 MET A 3HB 1715 ATOM 42 C CG . MET A 1715 4 . 10.698 -3.883 1.124 1.00 73.45 ? ? ? ? ? . 4 MET A CG 1715 ATOM 43 H 2HG . MET A 1715 4 . 9.957 -3.127 1.338 1.00 61.33 ? ? ? ? ? . 4 MET A 2HG 1715 ATOM 44 H 3HG . MET A 1715 4 . 10.418 -4.806 1.609 1.00 34.33 ? ? ? ? ? . 4 MET A 3HG 1715 ATOM 45 S SD . MET A 1715 4 . 12.285 -3.340 1.785 1.00 54.52 ? ? ? ? ? . 4 MET A SD 1715 ATOM 46 C CE . MET A 1715 4 . 13.246 -4.844 1.639 1.00 53.11 ? ? ? ? ? . 4 MET A CE 1715 ATOM 47 H 1HE . MET A 1715 4 . 12.943 -5.380 0.751 1.00 2.15 ? ? ? ? ? . 4 MET A 1HE 1715 ATOM 48 H 2HE . MET A 1715 4 . 14.294 -4.595 1.570 1.00 63.43 ? ? ? ? ? . 4 MET A 2HE 1715 ATOM 49 H 3HE . MET A 1715 4 . 13.078 -5.463 2.508 1.00 23.33 ? ? ? ? ? . 4 MET A 3HE 1715 ATOM 50 C C . MET A 1715 4 . 10.760 -3.153 -2.687 1.00 35.12 ? ? ? ? ? . 4 MET A C 1715 ATOM 51 O O . MET A 1715 4 . 11.802 -3.463 -3.262 1.00 23.02 ? ? ? ? ? . 4 MET A O 1715 ATOM 52 N N . GLU A 1715 5 . 9.584 -3.083 -3.305 1.00 25.44 ? ? ? ? ? . 5 GLU A N 1715 ATOM 53 H H . GLU A 1715 5 . 8.789 -2.831 -2.792 1.00 14.42 ? ? ? ? ? . 5 GLU A H 1715 ATOM 54 C CA . GLU A 1715 5 . 9.452 -3.375 -4.727 1.00 73.01 ? ? ? ? ? . 5 GLU A CA 1715 ATOM 55 H HA . GLU A 1715 5 . 9.864 -4.357 -4.904 1.00 42.44 ? ? ? ? ? . 5 GLU A HA 1715 ATOM 56 C CB . GLU A 1715 5 . 7.977 -3.375 -5.135 1.00 11.20 ? ? ? ? ? . 5 GLU A CB 1715 ATOM 57 H 2HB . GLU A 1715 5 . 7.475 -4.184 -4.625 1.00 53.13 ? ? ? ? ? . 5 GLU A 2HB 1715 ATOM 58 H 3HB . GLU A 1715 5 . 7.532 -2.439 -4.830 1.00 42.24 ? ? ? ? ? . 5 GLU A 3HB 1715 ATOM 59 C CG . GLU A 1715 5 . 7.759 -3.542 -6.629 1.00 74.33 ? ? ? ? ? . 5 GLU A CG 1715 ATOM 60 H 2HG . GLU A 1715 5 . 8.212 -2.708 -7.142 1.00 45.33 ? ? ? ? ? . 5 GLU A 2HG 1715 ATOM 61 H 3HG . GLU A 1715 5 . 8.231 -4.460 -6.949 1.00 0.44 ? ? ? ? ? . 5 GLU A 3HG 1715 ATOM 62 C CD . GLU A 1715 5 . 6.290 -3.598 -7.002 1.00 33.13 ? ? ? ? ? . 5 GLU A CD 1715 ATOM 63 O OE1 . GLU A 1715 5 . 5.629 -4.601 -6.658 1.00 40.21 ? ? ? ? ? . 5 GLU A OE1 1715 ATOM 64 O OE2 . GLU A 1715 5 . 5.801 -2.640 -7.636 1.00 61.33 ? ? ? ? ? . 5 GLU A OE2 1715 ATOM 65 C C . GLU A 1715 5 . 10.223 -2.359 -5.565 1.00 75.01 ? ? ? ? ? . 5 GLU A C 1715 ATOM 66 O O . GLU A 1715 5 . 11.074 -2.725 -6.375 1.00 71.24 ? ? ? ? ? . 5 GLU A O 1715 ATOM 67 N N . ARG A 1715 6 . 9.917 -1.081 -5.364 1.00 20.41 ? ? ? ? ? . 6 ARG A N 1715 ATOM 68 H H . ARG A 1715 6 . 9.229 -0.852 -4.704 1.00 64.12 ? ? ? ? ? . 6 ARG A H 1715 ATOM 69 C CA . ARG A 1715 6 . 10.579 -0.012 -6.101 1.00 61.24 ? ? ? ? ? . 6 ARG A CA 1715 ATOM 70 H HA . ARG A 1715 6 . 10.544 -0.262 -7.151 1.00 60.12 ? ? ? ? ? . 6 ARG A HA 1715 ATOM 71 C CB . ARG A 1715 6 . 9.851 1.315 -5.881 1.00 74.04 ? ? ? ? ? . 6 ARG A CB 1715 ATOM 72 H 2HB . ARG A 1715 6 . 10.441 2.112 -6.309 1.00 24.11 ? ? ? ? ? . 6 ARG A 2HB 1715 ATOM 73 H 3HB . ARG A 1715 6 . 8.896 1.275 -6.385 1.00 4.54 ? ? ? ? ? . 6 ARG A 3HB 1715 ATOM 74 C CG . ARG A 1715 6 . 9.604 1.639 -4.417 1.00 60.10 ? ? ? ? ? . 6 ARG A CG 1715 ATOM 75 H 2HG . ARG A 1715 6 . 8.840 0.977 -4.035 1.00 45.41 ? ? ? ? ? . 6 ARG A 2HG 1715 ATOM 76 H 3HG . ARG A 1715 6 . 10.521 1.490 -3.866 1.00 54.20 ? ? ? ? ? . 6 ARG A 3HG 1715 ATOM 77 C CD . ARG A 1715 6 . 9.144 3.077 -4.234 1.00 62.14 ? ? ? ? ? . 6 ARG A CD 1715 ATOM 78 H 2HD . ARG A 1715 6 . 8.839 3.216 -3.208 1.00 20.40 ? ? ? ? ? . 6 ARG A 2HD 1715 ATOM 79 H 3HD . ARG A 1715 6 . 9.971 3.736 -4.456 1.00 75.41 ? ? ? ? ? . 6 ARG A 3HD 1715 ATOM 80 N NE . ARG A 1715 6 . 8.024 3.409 -5.111 1.00 20.23 ? ? ? ? ? . 6 ARG A NE 1715 ATOM 81 H HE . ARG A 1715 6 . 8.204 3.993 -5.876 1.00 1.31 ? ? ? ? ? . 6 ARG A HE 1715 ATOM 82 C CZ . ARG A 1715 6 . 6.787 2.962 -4.924 1.00 22.04 ? ? ? ? ? . 6 ARG A CZ 1715 ATOM 83 N NH1 . ARG A 1715 6 . 6.513 2.169 -3.897 1.00 3.43 ? ? ? ? ? . 6 ARG A NH1 1715 ATOM 84 H 1HH1 . ARG A 1715 6 . 7.239 1.908 -3.261 1.00 21.42 ? ? ? ? ? . 6 ARG A 1HH1 1715 ATOM 85 H 2HH1 . ARG A 1715 6 . 5.581 1.835 -3.757 1.00 52.24 ? ? ? ? ? . 6 ARG A 2HH1 1715 ATOM 86 N NH2 . ARG A 1715 6 . 5.821 3.308 -5.765 1.00 0.44 ? ? ? ? ? . 6 ARG A NH2 1715 ATOM 87 H 1HH2 . ARG A 1715 6 . 6.024 3.906 -6.540 1.00 34.12 ? ? ? ? ? . 6 ARG A 1HH2 1715 ATOM 88 H 2HH2 . ARG A 1715 6 . 4.891 2.972 -5.623 1.00 73.52 ? ? ? ? ? . 6 ARG A 2HH2 1715 ATOM 89 C C . ARG A 1715 6 . 12.038 0.120 -5.675 1.00 63.53 ? ? ? ? ? . 6 ARG A C 1715 ATOM 90 O O . ARG A 1715 6 . 12.910 0.412 -6.494 1.00 41.22 ? ? ? ? ? . 6 ARG A O 1715 ATOM 91 N N . ILE A 1715 7 . 12.296 -0.098 -4.390 1.00 51.11 ? ? ? ? ? . 7 ILE A N 1715 ATOM 92 H H . ILE A 1715 7 . 11.559 -0.328 -3.787 1.00 12.50 ? ? ? ? ? . 7 ILE A H 1715 ATOM 93 C CA . ILE A 1715 7 . 13.649 -0.004 -3.856 1.00 51.01 ? ? ? ? ? . 7 ILE A CA 1715 ATOM 94 H HA . ILE A 1715 7 . 14.065 0.944 -4.167 1.00 74.43 ? ? ? ? ? . 7 ILE A HA 1715 ATOM 95 C CB . ILE A 1715 7 . 13.651 -0.052 -2.317 1.00 22.32 ? ? ? ? ? . 7 ILE A CB 1715 ATOM 96 H HB . ILE A 1715 7 . 13.169 -0.967 -2.007 1.00 1.22 ? ? ? ? ? . 7 ILE A HB 1715 ATOM 97 C CG2 . ILE A 1715 7 . 15.078 -0.067 -1.790 1.00 3.15 ? ? ? ? ? . 7 ILE A CG2 1715 ATOM 98 H 1HG2 . ILE A 1715 7 . 15.742 0.344 -2.536 1.00 70.21 ? ? ? ? ? . 7 ILE A 1HG2 1715 ATOM 99 H 2HG2 . ILE A 1715 7 . 15.136 0.529 -0.891 1.00 53.22 ? ? ? ? ? . 7 ILE A 2HG2 1715 ATOM 100 H 3HG2 . ILE A 1715 7 . 15.370 -1.082 -1.568 1.00 21.32 ? ? ? ? ? . 7 ILE A 3HG2 1715 ATOM 101 C CG1 . ILE A 1715 7 . 12.879 1.139 -1.746 1.00 71.12 ? ? ? ? ? . 7 ILE A CG1 1715 ATOM 102 H 2HG1 . ILE A 1715 7 . 13.527 2.000 -1.718 1.00 3.24 ? ? ? ? ? . 7 ILE A 2HG1 1715 ATOM 103 H 3HG1 . ILE A 1715 7 . 12.034 1.350 -2.386 1.00 43.42 ? ? ? ? ? . 7 ILE A 3HG1 1715 ATOM 104 C CD1 . ILE A 1715 7 . 12.355 0.905 -0.346 1.00 45.14 ? ? ? ? ? . 7 ILE A CD1 1715 ATOM 105 H 1HD1 . ILE A 1715 7 . 11.378 1.355 -0.247 1.00 64.41 ? ? ? ? ? . 7 ILE A 1HD1 1715 ATOM 106 H 2HD1 . ILE A 1715 7 . 12.285 -0.156 -0.160 1.00 44.21 ? ? ? ? ? . 7 ILE A 2HD1 1715 ATOM 107 H 3HD1 . ILE A 1715 7 . 13.031 1.352 0.369 1.00 15.24 ? ? ? ? ? . 7 ILE A 3HD1 1715 ATOM 108 C C . ILE A 1715 7 . 14.530 -1.128 -4.390 1.00 71.22 ? ? ? ? ? . 7 ILE A C 1715 ATOM 109 O O . ILE A 1715 7 . 15.711 -0.925 -4.673 1.00 30.24 ? ? ? ? ? . 7 ILE A O 1715 ATOM 110 N N . PHE A 1715 8 . 13.947 -2.314 -4.528 1.00 61.52 ? ? ? ? ? . 8 PHE A N 1715 ATOM 111 H H . PHE A 1715 8 . 13.002 -2.414 -4.286 1.00 42.12 ? ? ? ? ? . 8 PHE A H 1715 ATOM 112 C CA . PHE A 1715 8 . 14.679 -3.472 -5.030 1.00 13.03 ? ? ? ? ? . 8 PHE A CA 1715 ATOM 113 H HA . PHE A 1715 8 . 15.518 -3.642 -4.373 1.00 61.25 ? ? ? ? ? . 8 PHE A HA 1715 ATOM 114 C CB . PHE A 1715 8 . 13.781 -4.711 -5.023 1.00 23.32 ? ? ? ? ? . 8 PHE A CB 1715 ATOM 115 H 2HB . PHE A 1715 8 . 13.422 -4.881 -4.019 1.00 61.31 ? ? ? ? ? . 8 PHE A 2HB 1715 ATOM 116 H 3HB . PHE A 1715 8 . 12.940 -4.541 -5.678 1.00 23.21 ? ? ? ? ? . 8 PHE A 3HB 1715 ATOM 117 C CG . PHE A 1715 8 . 14.480 -5.960 -5.480 1.00 10.21 ? ? ? ? ? . 8 PHE A CG 1715 ATOM 118 C CD1 . PHE A 1715 8 . 14.425 -6.354 -6.807 1.00 43.11 ? ? ? ? ? . 8 PHE A CD1 1715 ATOM 119 H HD1 . PHE A 1715 8 . 13.873 -5.753 -7.516 1.00 43.22 ? ? ? ? ? . 8 PHE A HD1 1715 ATOM 120 C CE1 . PHE A 1715 8 . 15.067 -7.502 -7.231 1.00 64.11 ? ? ? ? ? . 8 PHE A CE1 1715 ATOM 121 H HE1 . PHE A 1715 8 . 15.016 -7.798 -8.268 1.00 40.15 ? ? ? ? ? . 8 PHE A HE1 1715 ATOM 122 C CZ . PHE A 1715 8 . 15.773 -8.271 -6.326 1.00 54.02 ? ? ? ? ? . 8 PHE A CZ 1715 ATOM 123 H HZ . PHE A 1715 8 . 16.276 -9.168 -6.655 1.00 55.14 ? ? ? ? ? . 8 PHE A HZ 1715 ATOM 124 C CE2 . PHE A 1715 8 . 15.835 -7.889 -5.000 1.00 45.44 ? ? ? ? ? . 8 PHE A CE2 1715 ATOM 125 H HE2 . PHE A 1715 8 . 16.386 -8.488 -4.291 1.00 31.22 ? ? ? ? ? . 8 PHE A HE2 1715 ATOM 126 C CD2 . PHE A 1715 8 . 15.191 -6.740 -4.582 1.00 41.21 ? ? ? ? ? . 8 PHE A CD2 1715 ATOM 127 H HD2 . PHE A 1715 8 . 15.240 -6.443 -3.545 1.00 3.22 ? ? ? ? ? . 8 PHE A HD2 1715 ATOM 128 C C . PHE A 1715 8 . 15.201 -3.216 -6.440 1.00 73.05 ? ? ? ? ? . 8 PHE A C 1715 ATOM 129 O O . PHE A 1715 8 . 16.193 -3.808 -6.865 1.00 22.10 ? ? ? ? ? . 8 PHE A O 1715 ATOM 130 N N . LYS A 1715 9 . 14.524 -2.330 -7.163 1.00 43.33 ? ? ? ? ? . 9 LYS A N 1715 ATOM 131 H H . LYS A 1715 9 . 13.741 -1.890 -6.770 1.00 31.33 ? ? ? ? ? . 9 LYS A H 1715 ATOM 132 C CA . LYS A 1715 9 . 14.918 -1.993 -8.526 1.00 60.02 ? ? ? ? ? . 9 LYS A CA 1715 ATOM 133 H HA . LYS A 1715 9 . 14.971 -2.910 -9.093 1.00 31.54 ? ? ? ? ? . 9 LYS A HA 1715 ATOM 134 C CB . LYS A 1715 9 . 13.878 -1.071 -9.167 1.00 33.34 ? ? ? ? ? . 9 LYS A CB 1715 ATOM 135 H 2HB . LYS A 1715 9 . 13.989 -0.080 -8.752 1.00 71.13 ? ? ? ? ? . 9 LYS A 2HB 1715 ATOM 136 H 3HB . LYS A 1715 9 . 14.058 -1.029 -10.231 1.00 62.42 ? ? ? ? ? . 9 LYS A 3HB 1715 ATOM 137 C CG . LYS A 1715 9 . 12.445 -1.524 -8.944 1.00 10.33 ? ? ? ? ? . 9 LYS A CG 1715 ATOM 138 H 2HG . LYS A 1715 9 . 12.215 -1.454 -7.891 1.00 34.30 ? ? ? ? ? . 9 LYS A 2HG 1715 ATOM 139 H 3HG . LYS A 1715 9 . 11.782 -0.878 -9.502 1.00 63.15 ? ? ? ? ? . 9 LYS A 3HG 1715 ATOM 140 C CD . LYS A 1715 9 . 12.236 -2.958 -9.399 1.00 30.32 ? ? ? ? ? . 9 LYS A CD 1715 ATOM 141 H 2HD . LYS A 1715 9 . 12.907 -3.602 -8.850 1.00 60.43 ? ? ? ? ? . 9 LYS A 2HD 1715 ATOM 142 H 3HD . LYS A 1715 9 . 11.214 -3.245 -9.197 1.00 75.34 ? ? ? ? ? . 9 LYS A 3HD 1715 ATOM 143 C CE . LYS A 1715 9 . 12.510 -3.117 -10.887 1.00 1.45 ? ? ? ? ? . 9 LYS A CE 1715 ATOM 144 H 2HE . LYS A 1715 9 . 13.534 -2.838 -11.082 1.00 41.43 ? ? ? ? ? . 9 LYS A 2HE 1715 ATOM 145 H 3HE . LYS A 1715 9 . 12.361 -4.151 -11.158 1.00 72.14 ? ? ? ? ? . 9 LYS A 3HE 1715 ATOM 146 N NZ . LYS A 1715 9 . 11.609 -2.264 -11.710 1.00 42.24 ? ? ? ? ? . 9 LYS A NZ 1715 ATOM 147 H 1HZ . LYS A 1715 9 . 11.827 -2.386 -12.720 1.00 41.11 ? ? ? ? ? . 9 LYS A 1HZ 1715 ATOM 148 H 2HZ . LYS A 1715 9 . 11.736 -1.263 -11.459 1.00 1.12 ? ? ? ? ? . 9 LYS A 2HZ 1715 ATOM 149 H 3HZ . LYS A 1715 9 . 10.617 -2.529 -11.546 1.00 42.31 ? ? ? ? ? . 9 LYS A 3HZ 1715 ATOM 150 C C . LYS A 1715 9 . 16.288 -1.323 -8.547 1.00 10.41 ? ? ? ? ? . 9 LYS A C 1715 ATOM 151 O O . LYS A 1715 9 . 16.988 -1.350 -9.560 1.00 15.04 ? ? ? ? ? . 9 LYS A O 1715 ATOM 152 N N . ARG A 1715 10 . 16.665 -0.723 -7.423 1.00 2.24 ? ? ? ? ? . 10 ARG A N 1715 ATOM 153 H H . ARG A 1715 10 . 16.064 -0.735 -6.649 1.00 12.12 ? ? ? ? ? . 10 ARG A H 1715 ATOM 154 C CA . ARG A 1715 10 . 17.952 -0.046 -7.312 1.00 52.13 ? ? ? ? ? . 10 ARG A CA 1715 ATOM 155 H HA . ARG A 1715 10 . 18.186 0.380 -8.276 1.00 44.03 ? ? ? ? ? . 10 ARG A HA 1715 ATOM 156 C CB . ARG A 1715 10 . 17.874 1.078 -6.278 1.00 13.15 ? ? ? ? ? . 10 ARG A CB 1715 ATOM 157 H 2HB . ARG A 1715 10 . 17.800 0.641 -5.293 1.00 33.34 ? ? ? ? ? . 10 ARG A 2HB 1715 ATOM 158 H 3HB . ARG A 1715 10 . 18.777 1.666 -6.334 1.00 50.53 ? ? ? ? ? . 10 ARG A 3HB 1715 ATOM 159 C CG . ARG A 1715 10 . 16.687 2.007 -6.475 1.00 71.15 ? ? ? ? ? . 10 ARG A CG 1715 ATOM 160 H 2HG . ARG A 1715 10 . 15.779 1.422 -6.473 1.00 21.35 ? ? ? ? ? . 10 ARG A 2HG 1715 ATOM 161 H 3HG . ARG A 1715 10 . 16.661 2.720 -5.665 1.00 33.21 ? ? ? ? ? . 10 ARG A 3HG 1715 ATOM 162 C CD . ARG A 1715 10 . 16.782 2.759 -7.794 1.00 10.03 ? ? ? ? ? . 10 ARG A CD 1715 ATOM 163 H 2HD . ARG A 1715 10 . 17.569 3.494 -7.717 1.00 41.24 ? ? ? ? ? . 10 ARG A 2HD 1715 ATOM 164 H 3HD . ARG A 1715 10 . 17.021 2.056 -8.577 1.00 62.23 ? ? ? ? ? . 10 ARG A 3HD 1715 ATOM 165 N NE . ARG A 1715 10 . 15.532 3.436 -8.129 1.00 2.22 ? ? ? ? ? . 10 ARG A NE 1715 ATOM 166 H HE . ARG A 1715 10 . 14.750 3.247 -7.571 1.00 34.21 ? ? ? ? ? . 10 ARG A HE 1715 ATOM 167 C CZ . ARG A 1715 10 . 15.406 4.287 -9.141 1.00 72.12 ? ? ? ? ? . 10 ARG A CZ 1715 ATOM 168 N NH1 . ARG A 1715 10 . 16.448 4.563 -9.914 1.00 35.34 ? ? ? ? ? . 10 ARG A NH1 1715 ATOM 169 H 1HH1 . ARG A 1715 10 . 17.330 4.129 -9.734 1.00 44.14 ? ? ? ? ? . 10 ARG A 1HH1 1715 ATOM 170 H 2HH1 . ARG A 1715 10 . 16.349 5.203 -10.676 1.00 64.20 ? ? ? ? ? . 10 ARG A 2HH1 1715 ATOM 171 N NH2 . ARG A 1715 10 . 14.235 4.863 -9.383 1.00 3.31 ? ? ? ? ? . 10 ARG A NH2 1715 ATOM 172 H 1HH2 . ARG A 1715 10 . 13.448 4.658 -8.803 1.00 33.41 ? ? ? ? ? . 10 ARG A 1HH2 1715 ATOM 173 H 2HH2 . ARG A 1715 10 . 14.141 5.503 -10.145 1.00 2.33 ? ? ? ? ? . 10 ARG A 2HH2 1715 ATOM 174 C C . ARG A 1715 10 . 19.053 -1.030 -6.928 1.00 73.00 ? ? ? ? ? . 10 ARG A C 1715 ATOM 175 O O . ARG A 1715 10 . 20.070 -1.138 -7.613 1.00 71.52 ? ? ? ? ? . 10 ARG A O 1715 ATOM 176 N N . PHE A 1715 11 . 18.843 -1.745 -5.828 1.00 15.13 ? ? ? ? ? . 11 PHE A N 1715 ATOM 177 H H . PHE A 1715 11 . 18.012 -1.614 -5.324 1.00 11.53 ? ? ? ? ? . 11 PHE A H 1715 ATOM 178 C CA . PHE A 1715 11 . 19.817 -2.719 -5.351 1.00 4.00 ? ? ? ? ? . 11 PHE A CA 1715 ATOM 179 H HA . PHE A 1715 11 . 20.724 -2.187 -5.107 1.00 30.20 ? ? ? ? ? . 11 PHE A HA 1715 ATOM 180 C CB . PHE A 1715 11 . 19.297 -3.420 -4.094 1.00 41.13 ? ? ? ? ? . 11 PHE A CB 1715 ATOM 181 H 2HB . PHE A 1715 11 . 18.276 -3.729 -4.260 1.00 21.11 ? ? ? ? ? . 11 PHE A 2HB 1715 ATOM 182 H 3HB . PHE A 1715 11 . 19.905 -4.290 -3.899 1.00 23.05 ? ? ? ? ? . 11 PHE A 3HB 1715 ATOM 183 C CG . PHE A 1715 11 . 19.323 -2.551 -2.869 1.00 75.23 ? ? ? ? ? . 11 PHE A CG 1715 ATOM 184 C CD1 . PHE A 1715 11 . 18.370 -1.562 -2.685 1.00 74.41 ? ? ? ? ? . 11 PHE A CD1 1715 ATOM 185 H HD1 . PHE A 1715 11 . 17.603 -1.420 -3.433 1.00 55.54 ? ? ? ? ? . 11 PHE A HD1 1715 ATOM 186 C CE1 . PHE A 1715 11 . 18.390 -0.761 -1.559 1.00 30.42 ? ? ? ? ? . 11 PHE A CE1 1715 ATOM 187 H HE1 . PHE A 1715 11 . 17.641 0.006 -1.428 1.00 64.03 ? ? ? ? ? . 11 PHE A HE1 1715 ATOM 188 C CZ . PHE A 1715 11 . 19.370 -0.943 -0.602 1.00 53.34 ? ? ? ? ? . 11 PHE A CZ 1715 ATOM 189 H HZ . PHE A 1715 11 . 19.387 -0.319 0.278 1.00 10.45 ? ? ? ? ? . 11 PHE A HZ 1715 ATOM 190 C CE2 . PHE A 1715 11 . 20.325 -1.925 -0.774 1.00 30.52 ? ? ? ? ? . 11 PHE A CE2 1715 ATOM 191 H HE2 . PHE A 1715 11 . 21.092 -2.069 -0.028 1.00 2.04 ? ? ? ? ? . 11 PHE A HE2 1715 ATOM 192 C CD2 . PHE A 1715 11 . 20.300 -2.723 -1.902 1.00 71.03 ? ? ? ? ? . 11 PHE A CD2 1715 ATOM 193 H HD2 . PHE A 1715 11 . 21.048 -3.490 -2.035 1.00 63.33 ? ? ? ? ? . 11 PHE A HD2 1715 ATOM 194 C C . PHE A 1715 11 . 20.128 -3.751 -6.431 1.00 73.21 ? ? ? ? ? . 11 PHE A C 1715 ATOM 195 O O . PHE A 1715 11 . 21.237 -4.278 -6.500 1.00 60.42 ? ? ? ? ? . 11 PHE A O 1715 ATOM 196 N N . ASP A 1715 12 . 19.138 -4.034 -7.272 1.00 63.42 ? ? ? ? ? . 12 ASP A N 1715 ATOM 197 H H . ASP A 1715 12 . 18.276 -3.581 -7.166 1.00 70.04 ? ? ? ? ? . 12 ASP A H 1715 ATOM 198 C CA . ASP A 1715 12 . 19.304 -5.004 -8.349 1.00 24.23 ? ? ? ? ? . 12 ASP A CA 1715 ATOM 199 H HA . ASP A 1715 12 . 20.056 -5.715 -8.041 1.00 62.20 ? ? ? ? ? . 12 ASP A HA 1715 ATOM 200 C CB . ASP A 1715 12 . 17.991 -5.747 -8.601 1.00 72.01 ? ? ? ? ? . 12 ASP A CB 1715 ATOM 201 H 2HB . ASP A 1715 12 . 17.727 -6.310 -7.717 1.00 51.34 ? ? ? ? ? . 12 ASP A 2HB 1715 ATOM 202 H 3HB . ASP A 1715 12 . 17.212 -5.029 -8.812 1.00 25.14 ? ? ? ? ? . 12 ASP A 3HB 1715 ATOM 203 C CG . ASP A 1715 12 . 18.121 -6.798 -9.685 1.00 5.13 ? ? ? ? ? . 12 ASP A CG 1715 ATOM 204 O OD2 . ASP A 1715 12 . 17.188 -7.032 -10.453 1.00 42.31 ? ? ? ? ? . 12 ASP A OD2 1715 ATOM 205 O OD1 . ASP A 1715 12 . 19.282 -7.439 -9.752 1.00 63.23 ? ? ? ? ? . 12 ASP A OD1 1715 ATOM 207 C C . ASP A 1715 12 . 19.769 -4.320 -9.631 1.00 10.24 ? ? ? ? ? . 12 ASP A C 1715 ATOM 208 O O . ASP A 1715 12 . 19.067 -4.329 -10.643 1.00 3.04 ? ? ? ? ? . 12 ASP A O 1715 ATOM 209 N N . THR A 1715 13 . 20.958 -3.726 -9.581 1.00 33.31 ? ? ? ? ? . 13 THR A N 1715 ATOM 210 H H . THR A 1715 13 . 21.469 -3.753 -8.746 1.00 25.33 ? ? ? ? ? . 13 THR A H 1715 ATOM 211 C CA . THR A 1715 13 . 21.517 -3.037 -10.737 1.00 15.43 ? ? ? ? ? . 13 THR A CA 1715 ATOM 212 H HA . THR A 1715 13 . 20.858 -2.217 -10.987 1.00 21.51 ? ? ? ? ? . 13 THR A HA 1715 ATOM 213 C CB . THR A 1715 13 . 22.910 -2.459 -10.427 1.00 25.35 ? ? ? ? ? . 13 THR A CB 1715 ATOM 214 H HB . THR A 1715 13 . 23.520 -3.241 -9.996 1.00 73.21 ? ? ? ? ? . 13 THR A HB 1715 ATOM 215 O OG1 . THR A 1715 13 . 22.798 -1.384 -9.487 1.00 74.51 ? ? ? ? ? . 13 THR A OG1 1715 ATOM 216 H HG1 . THR A 1715 13 . 22.114 -1.591 -8.845 1.00 52.22 ? ? ? ? ? . 13 THR A HG1 1715 ATOM 217 C CG2 . THR A 1715 13 . 23.585 -1.961 -11.696 1.00 74.20 ? ? ? ? ? . 13 THR A CG2 1715 ATOM 218 H 1HG2 . THR A 1715 13 . 23.736 -2.790 -12.372 1.00 43.41 ? ? ? ? ? . 13 THR A 1HG2 1715 ATOM 219 H 2HG2 . THR A 1715 13 . 24.538 -1.520 -11.448 1.00 2.44 ? ? ? ? ? . 13 THR A 2HG2 1715 ATOM 220 H 3HG2 . THR A 1715 13 . 22.957 -1.221 -12.169 1.00 64.05 ? ? ? ? ? . 13 THR A 3HG2 1715 ATOM 221 C C . THR A 1715 13 . 21.622 -3.971 -11.937 1.00 15.13 ? ? ? ? ? . 13 THR A C 1715 ATOM 222 O O . THR A 1715 13 . 21.683 -3.523 -13.081 1.00 5.55 ? ? ? ? ? . 13 THR A O 1715 ATOM 223 N N . ASN A 1715 14 . 21.640 -5.272 -11.668 1.00 23.33 ? ? ? ? ? . 14 ASN A N 1715 ATOM 224 H H . ASN A 1715 14 . 21.588 -5.569 -10.735 1.00 52.11 ? ? ? ? ? . 14 ASN A H 1715 ATOM 225 C CA . ASN A 1715 14 . 21.738 -6.270 -12.727 1.00 34.44 ? ? ? ? ? . 14 ASN A CA 1715 ATOM 226 H HA . ASN A 1715 14 . 22.397 -5.882 -13.488 1.00 71.12 ? ? ? ? ? . 14 ASN A HA 1715 ATOM 227 C CB . ASN A 1715 14 . 22.324 -7.572 -12.177 1.00 24.11 ? ? ? ? ? . 14 ASN A CB 1715 ATOM 228 H 2HB . ASN A 1715 14 . 23.379 -7.432 -11.986 1.00 74.20 ? ? ? ? ? . 14 ASN A 2HB 1715 ATOM 229 H 3HB . ASN A 1715 14 . 21.826 -7.823 -11.253 1.00 33.31 ? ? ? ? ? . 14 ASN A 3HB 1715 ATOM 230 C CG . ASN A 1715 14 . 22.163 -8.732 -13.141 1.00 11.42 ? ? ? ? ? . 14 ASN A CG 1715 ATOM 231 O OD1 . ASN A 1715 14 . 21.955 -9.872 -12.728 1.00 34.44 ? ? ? ? ? . 14 ASN A OD1 1715 ATOM 232 N ND2 . ASN A 1715 14 . 22.259 -8.444 -14.434 1.00 12.34 ? ? ? ? ? . 14 ASN A ND2 1715 ATOM 233 H 1HD2 . ASN A 1715 14 . 22.426 -7.513 -14.690 1.00 1.52 ? ? ? ? ? . 14 ASN A 1HD2 1715 ATOM 234 H 2HD2 . ASN A 1715 14 . 22.158 -9.174 -15.079 1.00 32.42 ? ? ? ? ? . 14 ASN A 2HD2 1715 ATOM 235 C C . ASN A 1715 14 . 20.371 -6.539 -13.349 1.00 15.53 ? ? ? ? ? . 14 ASN A C 1715 ATOM 236 O O . ASN A 1715 14 . 20.267 -7.178 -14.395 1.00 4.32 ? ? ? ? ? . 14 ASN A O 1715 ATOM 237 N N . GLY A 1715 15 . 19.322 -6.044 -12.697 1.00 23.22 ? ? ? ? ? . 15 GLY A N 1715 ATOM 238 H H . GLY A 1715 15 . 19.465 -5.542 -11.867 1.00 32.41 ? ? ? ? ? . 15 GLY A H 1715 ATOM 239 C CA . GLY A 1715 15 . 17.976 -6.240 -13.201 1.00 34.24 ? ? ? ? ? . 15 GLY A CA 1715 ATOM 240 H 2HA . GLY A 1715 15 . 17.271 -5.932 -12.443 1.00 30.34 ? ? ? ? ? . 15 GLY A 2HA 1715 ATOM 241 H 3HA . GLY A 1715 15 . 17.838 -5.624 -14.077 1.00 43.01 ? ? ? ? ? . 15 GLY A 3HA 1715 ATOM 242 C C . GLY A 1715 15 . 17.699 -7.684 -13.570 1.00 62.13 ? ? ? ? ? . 15 GLY A C 1715 ATOM 243 O O . GLY A 1715 15 . 17.122 -7.963 -14.621 1.00 61.33 ? ? ? ? ? . 15 GLY A O 1715 ATOM 244 N N . ASP A 1715 16 . 18.113 -8.604 -12.706 1.00 2.11 ? ? ? ? ? . 16 ASP A N 1715 ATOM 245 H H . ASP A 1715 16 . 18.567 -8.319 -11.885 1.00 44.33 ? ? ? ? ? . 16 ASP A H 1715 ATOM 246 C CA . ASP A 1715 16 . 17.908 -10.027 -12.947 1.00 74.42 ? ? ? ? ? . 16 ASP A CA 1715 ATOM 247 H HA . ASP A 1715 16 . 17.415 -10.134 -13.902 1.00 23.21 ? ? ? ? ? . 16 ASP A HA 1715 ATOM 248 C CB . ASP A 1715 16 . 19.251 -10.757 -12.996 1.00 72.34 ? ? ? ? ? . 16 ASP A CB 1715 ATOM 249 H 2HB . ASP A 1715 16 . 19.295 -11.356 -13.895 1.00 22.15 ? ? ? ? ? . 16 ASP A 2HB 1715 ATOM 250 H 3HB . ASP A 1715 16 . 20.048 -10.029 -13.014 1.00 63.22 ? ? ? ? ? . 16 ASP A 3HB 1715 ATOM 251 C CG . ASP A 1715 16 . 19.459 -11.669 -11.803 1.00 15.53 ? ? ? ? ? . 16 ASP A CG 1715 ATOM 252 O OD1 . ASP A 1715 16 . 19.463 -11.160 -10.662 1.00 31.54 ? ? ? ? ? . 16 ASP A OD1 1715 ATOM 253 O OD2 . ASP A 1715 16 . 19.616 -12.890 -12.009 1.00 51.24 ? ? ? ? ? . 16 ASP A OD2 1715 ATOM 254 C C . ASP A 1715 16 . 17.021 -10.639 -11.867 1.00 24.23 ? ? ? ? ? . 16 ASP A C 1715 ATOM 255 O O . ASP A 1715 16 . 16.537 -11.761 -12.009 1.00 14.12 ? ? ? ? ? . 16 ASP A O 1715 ATOM 256 N N . GLY A 1715 17 . 16.815 -9.894 -10.785 1.00 51.32 ? ? ? ? ? . 17 GLY A N 1715 ATOM 257 H H . GLY A 1715 17 . 17.227 -9.006 -10.727 1.00 22.44 ? ? ? ? ? . 17 GLY A H 1715 ATOM 258 C CA . GLY A 1715 17 . 15.988 -10.380 -9.696 1.00 4.21 ? ? ? ? ? . 17 GLY A CA 1715 ATOM 259 H 2HA . GLY A 1715 17 . 15.294 -9.603 -9.411 1.00 22.50 ? ? ? ? ? . 17 GLY A 2HA 1715 ATOM 260 H 3HA . GLY A 1715 17 . 15.431 -11.239 -10.038 1.00 60.52 ? ? ? ? ? . 17 GLY A 3HA 1715 ATOM 261 C C . GLY A 1715 17 . 16.805 -10.778 -8.482 1.00 75.32 ? ? ? ? ? . 17 GLY A C 1715 ATOM 262 O O . GLY A 1715 17 . 16.303 -11.450 -7.581 1.00 23.44 ? ? ? ? ? . 17 GLY A O 1715 ATOM 263 N N . LYS A 1715 18 . 18.067 -10.365 -8.458 1.00 50.34 ? ? ? ? ? . 18 LYS A N 1715 ATOM 264 H H . LYS A 1715 18 . 18.409 -9.832 -9.207 1.00 3.41 ? ? ? ? ? . 18 LYS A H 1715 ATOM 265 C CA . LYS A 1715 18 . 18.956 -10.682 -7.347 1.00 72.20 ? ? ? ? ? . 18 LYS A CA 1715 ATOM 266 H HA . LYS A 1715 18 . 18.359 -10.731 -6.449 1.00 4.03 ? ? ? ? ? . 18 LYS A HA 1715 ATOM 267 C CB . LYS A 1715 18 . 19.626 -12.039 -7.575 1.00 31.14 ? ? ? ? ? . 18 LYS A CB 1715 ATOM 268 H 2HB . LYS A 1715 18 . 20.401 -11.924 -8.318 1.00 71.21 ? ? ? ? ? . 18 LYS A 2HB 1715 ATOM 269 H 3HB . LYS A 1715 18 . 20.074 -12.366 -6.647 1.00 43.43 ? ? ? ? ? . 18 LYS A 3HB 1715 ATOM 270 C CG . LYS A 1715 18 . 18.668 -13.119 -8.047 1.00 31.01 ? ? ? ? ? . 18 LYS A CG 1715 ATOM 271 H 2HG . LYS A 1715 18 . 17.879 -13.232 -7.318 1.00 25.22 ? ? ? ? ? . 18 LYS A 2HG 1715 ATOM 272 H 3HG . LYS A 1715 18 . 18.244 -12.821 -8.995 1.00 73.34 ? ? ? ? ? . 18 LYS A 3HG 1715 ATOM 273 C CD . LYS A 1715 18 . 19.373 -14.454 -8.219 1.00 3.21 ? ? ? ? ? . 18 LYS A CD 1715 ATOM 274 H 2HD . LYS A 1715 18 . 20.344 -14.402 -7.748 1.00 35.15 ? ? ? ? ? . 18 LYS A 2HD 1715 ATOM 275 H 3HD . LYS A 1715 18 . 18.783 -15.227 -7.747 1.00 53.44 ? ? ? ? ? . 18 LYS A 3HD 1715 ATOM 276 C CE . LYS A 1715 18 . 19.559 -14.801 -9.688 1.00 43.31 ? ? ? ? ? . 18 LYS A CE 1715 ATOM 277 H 2HE . LYS A 1715 18 . 18.890 -14.192 -10.276 1.00 15.12 ? ? ? ? ? . 18 LYS A 2HE 1715 ATOM 278 H 3HE . LYS A 1715 18 . 20.580 -14.586 -9.968 1.00 60.45 ? ? ? ? ? . 18 LYS A 3HE 1715 ATOM 279 N NZ . LYS A 1715 18 . 19.273 -16.237 -9.959 1.00 42.35 ? ? ? ? ? . 18 LYS A NZ 1715 ATOM 280 H 1HZ . LYS A 1715 18 . 19.999 -16.632 -10.590 1.00 65.34 ? ? ? ? ? . 18 LYS A 1HZ 1715 ATOM 281 H 2HZ . LYS A 1715 18 . 18.344 -16.336 -10.415 1.00 33.02 ? ? ? ? ? . 18 LYS A 2HZ 1715 ATOM 282 H 3HZ . LYS A 1715 18 . 19.271 -16.775 -9.070 1.00 22.21 ? ? ? ? ? . 18 LYS A 3HZ 1715 ATOM 283 C C . LYS A 1715 18 . 20.018 -9.601 -7.174 1.00 21.40 ? ? ? ? ? . 18 LYS A C 1715 ATOM 284 O O . LYS A 1715 18 . 20.294 -8.835 -8.098 1.00 35.40 ? ? ? ? ? . 18 LYS A O 1715 ATOM 285 N N . ILE A 1715 19 . 20.612 -9.546 -5.987 1.00 32.54 ? ? ? ? ? . 19 ILE A N 1715 ATOM 286 H H . ILE A 1715 19 . 20.349 -10.184 -5.291 1.00 21.03 ? ? ? ? ? . 19 ILE A H 1715 ATOM 287 C CA . ILE A 1715 19 . 21.646 -8.561 -5.695 1.00 35.12 ? ? ? ? ? . 19 ILE A CA 1715 ATOM 288 H HA . ILE A 1715 19 . 21.753 -7.924 -6.561 1.00 74.32 ? ? ? ? ? . 19 ILE A HA 1715 ATOM 289 C CB . ILE A 1715 19 . 21.261 -7.681 -4.491 1.00 34.01 ? ? ? ? ? . 19 ILE A CB 1715 ATOM 290 H HB . ILE A 1715 19 . 21.556 -8.195 -3.589 1.00 13.31 ? ? ? ? ? . 19 ILE A HB 1715 ATOM 291 C CG2 . ILE A 1715 19 . 22.004 -6.355 -4.545 1.00 53.44 ? ? ? ? ? . 19 ILE A CG2 1715 ATOM 292 H 1HG2 . ILE A 1715 19 . 22.239 -6.116 -5.572 1.00 64.11 ? ? ? ? ? . 19 ILE A 1HG2 1715 ATOM 293 H 2HG2 . ILE A 1715 19 . 21.381 -5.576 -4.130 1.00 23.52 ? ? ? ? ? . 19 ILE A 2HG2 1715 ATOM 294 H 3HG2 . ILE A 1715 19 . 22.917 -6.429 -3.974 1.00 72.44 ? ? ? ? ? . 19 ILE A 3HG2 1715 ATOM 295 C CG1 . ILE A 1715 19 . 19.748 -7.450 -4.463 1.00 43.12 ? ? ? ? ? . 19 ILE A CG1 1715 ATOM 296 H 2HG1 . ILE A 1715 19 . 19.250 -8.390 -4.286 1.00 51.23 ? ? ? ? ? . 19 ILE A 2HG1 1715 ATOM 297 H 3HG1 . ILE A 1715 19 . 19.511 -6.765 -3.662 1.00 2.02 ? ? ? ? ? . 19 ILE A 3HG1 1715 ATOM 298 C CD1 . ILE A 1715 19 . 19.202 -6.870 -5.749 1.00 1.51 ? ? ? ? ? . 19 ILE A CD1 1715 ATOM 299 H 1HD1 . ILE A 1715 19 . 18.507 -7.567 -6.192 1.00 50.05 ? ? ? ? ? . 19 ILE A 1HD1 1715 ATOM 300 H 2HD1 . ILE A 1715 19 . 18.696 -5.940 -5.538 1.00 52.33 ? ? ? ? ? . 19 ILE A 2HD1 1715 ATOM 301 H 3HD1 . ILE A 1715 19 . 20.016 -6.688 -6.436 1.00 62.11 ? ? ? ? ? . 19 ILE A 3HD1 1715 ATOM 302 C C . ILE A 1715 19 . 22.983 -9.236 -5.410 1.00 42.51 ? ? ? ? ? . 19 ILE A C 1715 ATOM 303 O O . ILE A 1715 19 . 23.102 -10.035 -4.482 1.00 11.15 ? ? ? ? ? . 19 ILE A O 1715 ATOM 304 N N . SER A 1715 20 . 23.989 -8.906 -6.215 1.00 32.34 ? ? ? ? ? . 20 SER A N 1715 ATOM 305 H H . SER A 1715 20 . 23.831 -8.263 -6.937 1.00 45.12 ? ? ? ? ? . 20 SER A H 1715 ATOM 306 C CA . SER A 1715 20 . 25.319 -9.482 -6.051 1.00 13.43 ? ? ? ? ? . 20 SER A CA 1715 ATOM 307 H HA . SER A 1715 20 . 25.231 -10.338 -5.399 1.00 3.03 ? ? ? ? ? . 20 SER A HA 1715 ATOM 308 C CB . SER A 1715 20 . 25.870 -9.939 -7.403 1.00 33.14 ? ? ? ? ? . 20 SER A CB 1715 ATOM 309 H 2HB . SER A 1715 20 . 25.056 -10.043 -8.104 1.00 13.32 ? ? ? ? ? . 20 SER A 2HB 1715 ATOM 310 H 3HB . SER A 1715 20 . 26.570 -9.203 -7.770 1.00 63.31 ? ? ? ? ? . 20 SER A 3HB 1715 ATOM 311 O OG . SER A 1715 20 . 26.534 -11.185 -7.287 1.00 64.30 ? ? ? ? ? . 20 SER A OG 1715 ATOM 312 H HG . SER A 1715 20 . 27.441 -11.094 -7.590 1.00 74.34 ? ? ? ? ? . 20 SER A HG 1715 ATOM 313 C C . SER A 1715 20 . 26.272 -8.474 -5.415 1.00 32.22 ? ? ? ? ? . 20 SER A C 1715 ATOM 314 O O . SER A 1715 20 . 25.849 -7.427 -4.923 1.00 43.33 ? ? ? ? ? . 20 SER A O 1715 ATOM 315 N N . LEU A 1715 21 . 27.560 -8.798 -5.428 1.00 31.51 ? ? ? ? ? . 21 LEU A N 1715 ATOM 316 H H . LEU A 1715 21 . 27.836 -9.646 -5.834 1.00 31.33 ? ? ? ? ? . 21 LEU A H 1715 ATOM 317 C CA . LEU A 1715 21 . 28.575 -7.923 -4.853 1.00 2.11 ? ? ? ? ? . 21 LEU A CA 1715 ATOM 318 H HA . LEU A 1715 21 . 28.235 -7.619 -3.874 1.00 54.23 ? ? ? ? ? . 21 LEU A HA 1715 ATOM 319 C CB . LEU A 1715 21 . 29.901 -8.672 -4.709 1.00 31.32 ? ? ? ? ? . 21 LEU A CB 1715 ATOM 320 H 2HB . LEU A 1715 21 . 30.406 -8.637 -5.662 1.00 0.33 ? ? ? ? ? . 21 LEU A 2HB 1715 ATOM 321 H 3HB . LEU A 1715 21 . 30.494 -8.154 -3.969 1.00 43.21 ? ? ? ? ? . 21 LEU A 3HB 1715 ATOM 322 C CG . LEU A 1715 21 . 29.801 -10.139 -4.287 1.00 14.43 ? ? ? ? ? . 21 LEU A CG 1715 ATOM 323 H HG . LEU A 1715 21 . 29.352 -10.708 -5.089 1.00 51.22 ? ? ? ? ? . 21 LEU A HG 1715 ATOM 324 C CD1 . LEU A 1715 21 . 31.183 -10.713 -4.021 1.00 23.32 ? ? ? ? ? . 21 LEU A CD1 1715 ATOM 325 H 1HD1 . LEU A 1715 21 . 31.264 -11.685 -4.484 1.00 43.10 ? ? ? ? ? . 21 LEU A 1HD1 1715 ATOM 326 H 2HD1 . LEU A 1715 21 . 31.335 -10.808 -2.956 1.00 32.32 ? ? ? ? ? . 21 LEU A 2HD1 1715 ATOM 327 H 3HD1 . LEU A 1715 21 . 31.933 -10.053 -4.433 1.00 74.42 ? ? ? ? ? . 21 LEU A 3HD1 1715 ATOM 328 C CD2 . LEU A 1715 21 . 28.917 -10.280 -3.056 1.00 74.02 ? ? ? ? ? . 21 LEU A CD2 1715 ATOM 329 H 1HD2 . LEU A 1715 21 . 28.649 -9.299 -2.691 1.00 24.41 ? ? ? ? ? . 21 LEU A 1HD2 1715 ATOM 330 H 2HD2 . LEU A 1715 21 . 29.453 -10.816 -2.287 1.00 64.51 ? ? ? ? ? . 21 LEU A 2HD2 1715 ATOM 331 H 3HD2 . LEU A 1715 21 . 28.021 -10.824 -3.317 1.00 50.20 ? ? ? ? ? . 21 LEU A 3HD2 1715 ATOM 332 C C . LEU A 1715 21 . 28.772 -6.679 -5.713 1.00 41.13 ? ? ? ? ? . 21 LEU A C 1715 ATOM 333 O O . LEU A 1715 21 . 29.212 -5.638 -5.226 1.00 2.14 ? ? ? ? ? . 21 LEU A O 1715 ATOM 334 N N . SER A 1715 22 . 28.441 -6.794 -6.996 1.00 22.05 ? ? ? ? ? . 22 SER A N 1715 ATOM 335 H H . SER A 1715 22 . 28.096 -7.650 -7.325 1.00 32.33 ? ? ? ? ? . 22 SER A H 1715 ATOM 336 C CA . SER A 1715 22 . 28.583 -5.679 -7.925 1.00 21.14 ? ? ? ? ? . 22 SER A CA 1715 ATOM 337 H HA . SER A 1715 22 . 29.479 -5.138 -7.658 1.00 54.34 ? ? ? ? ? . 22 SER A HA 1715 ATOM 338 C CB . SER A 1715 22 . 28.722 -6.197 -9.358 1.00 15.53 ? ? ? ? ? . 22 SER A CB 1715 ATOM 339 H 2HB . SER A 1715 22 . 29.004 -7.238 -9.336 1.00 43.11 ? ? ? ? ? . 22 SER A 2HB 1715 ATOM 340 H 3HB . SER A 1715 22 . 27.775 -6.091 -9.869 1.00 3.34 ? ? ? ? ? . 22 SER A 3HB 1715 ATOM 341 O OG . SER A 1715 22 . 29.709 -5.470 -10.069 1.00 74.01 ? ? ? ? ? . 22 SER A OG 1715 ATOM 342 H HG . SER A 1715 22 . 30.511 -5.994 -10.129 1.00 11.31 ? ? ? ? ? . 22 SER A HG 1715 ATOM 343 C C . SER A 1715 22 . 27.389 -4.734 -7.826 1.00 62.50 ? ? ? ? ? . 22 SER A C 1715 ATOM 344 O O . SER A 1715 22 . 27.527 -3.524 -7.997 1.00 50.25 ? ? ? ? ? . 22 SER A O 1715 ATOM 345 N N . GLU A 1715 23 . 26.218 -5.298 -7.549 1.00 33.35 ? ? ? ? ? . 23 GLU A N 1715 ATOM 346 H H . GLU A 1715 23 . 26.172 -6.269 -7.423 1.00 31.04 ? ? ? ? ? . 23 GLU A H 1715 ATOM 347 C CA . GLU A 1715 23 . 24.999 -4.507 -7.428 1.00 1.41 ? ? ? ? ? . 23 GLU A CA 1715 ATOM 348 H HA . GLU A 1715 23 . 25.070 -3.681 -8.120 1.00 60.20 ? ? ? ? ? . 23 GLU A HA 1715 ATOM 349 C CB . GLU A 1715 23 . 23.777 -5.353 -7.788 1.00 74.40 ? ? ? ? ? . 23 GLU A CB 1715 ATOM 350 H 2HB . GLU A 1715 23 . 23.594 -6.058 -6.990 1.00 14.42 ? ? ? ? ? . 23 GLU A 2HB 1715 ATOM 351 H 3HB . GLU A 1715 23 . 22.920 -4.703 -7.885 1.00 72.02 ? ? ? ? ? . 23 GLU A 3HB 1715 ATOM 352 C CG . GLU A 1715 23 . 23.935 -6.130 -9.084 1.00 73.32 ? ? ? ? ? . 23 GLU A CG 1715 ATOM 353 H 2HG . GLU A 1715 23 . 23.844 -5.445 -9.913 1.00 54.24 ? ? ? ? ? . 23 GLU A 2HG 1715 ATOM 354 H 3HG . GLU A 1715 23 . 24.915 -6.584 -9.100 1.00 13.01 ? ? ? ? ? . 23 GLU A 3HG 1715 ATOM 355 C CD . GLU A 1715 23 . 22.893 -7.221 -9.242 1.00 11.25 ? ? ? ? ? . 23 GLU A CD 1715 ATOM 356 O OE1 . GLU A 1715 23 . 21.693 -6.925 -9.061 1.00 40.41 ? ? ? ? ? . 23 GLU A OE1 1715 ATOM 357 O OE2 . GLU A 1715 23 . 23.277 -8.370 -9.545 1.00 12.35 ? ? ? ? ? . 23 GLU A OE2 1715 ATOM 358 C C . GLU A 1715 23 . 24.849 -3.952 -6.014 1.00 54.45 ? ? ? ? ? . 23 GLU A C 1715 ATOM 359 O O . GLU A 1715 23 . 24.710 -2.743 -5.821 1.00 43.12 ? ? ? ? ? . 23 GLU A O 1715 ATOM 360 N N . LEU A 1715 24 . 24.876 -4.843 -5.030 1.00 12.55 ? ? ? ? ? . 24 LEU A N 1715 ATOM 361 H H . LEU A 1715 24 . 24.989 -5.791 -5.245 1.00 73.34 ? ? ? ? ? . 24 LEU A H 1715 ATOM 362 C CA . LEU A 1715 24 . 24.742 -4.443 -3.633 1.00 20.32 ? ? ? ? ? . 24 LEU A CA 1715 ATOM 363 H HA . LEU A 1715 24 . 23.723 -4.121 -3.477 1.00 4.24 ? ? ? ? ? . 24 LEU A HA 1715 ATOM 364 C CB . LEU A 1715 24 . 25.036 -5.629 -2.712 1.00 61.35 ? ? ? ? ? . 24 LEU A CB 1715 ATOM 365 H 2HB . LEU A 1715 24 . 24.662 -6.521 -3.192 1.00 14.40 ? ? ? ? ? . 24 LEU A 2HB 1715 ATOM 366 H 3HB . LEU A 1715 24 . 26.109 -5.705 -2.604 1.00 12.40 ? ? ? ? ? . 24 LEU A 3HB 1715 ATOM 367 C CG . LEU A 1715 24 . 24.426 -5.560 -1.312 1.00 41.51 ? ? ? ? ? . 24 LEU A CG 1715 ATOM 368 H HG . LEU A 1715 24 . 23.471 -5.055 -1.367 1.00 2.01 ? ? ? ? ? . 24 LEU A HG 1715 ATOM 369 C CD1 . LEU A 1715 24 . 24.186 -6.958 -0.764 1.00 44.30 ? ? ? ? ? . 24 LEU A CD1 1715 ATOM 370 H 1HD1 . LEU A 1715 24 . 24.970 -7.210 -0.066 1.00 64.24 ? ? ? ? ? . 24 LEU A 1HD1 1715 ATOM 371 H 2HD1 . LEU A 1715 24 . 24.186 -7.668 -1.578 1.00 12.04 ? ? ? ? ? . 24 LEU A 2HD1 1715 ATOM 372 H 3HD1 . LEU A 1715 24 . 23.231 -6.988 -0.260 1.00 4.21 ? ? ? ? ? . 24 LEU A 3HD1 1715 ATOM 373 C CD2 . LEU A 1715 24 . 25.327 -4.765 -0.377 1.00 75.31 ? ? ? ? ? . 24 LEU A CD2 1715 ATOM 374 H 1HD2 . LEU A 1715 24 . 26.004 -5.439 0.128 1.00 54.43 ? ? ? ? ? . 24 LEU A 1HD2 1715 ATOM 375 H 2HD2 . LEU A 1715 24 . 24.721 -4.249 0.354 1.00 73.42 ? ? ? ? ? . 24 LEU A 2HD2 1715 ATOM 376 H 3HD2 . LEU A 1715 24 . 25.893 -4.046 -0.949 1.00 4.44 ? ? ? ? ? . 24 LEU A 3HD2 1715 ATOM 377 C C . LEU A 1715 24 . 25.680 -3.286 -3.305 1.00 12.10 ? ? ? ? ? . 24 LEU A C 1715 ATOM 378 O O . LEU A 1715 24 . 25.260 -2.269 -2.751 1.00 30.54 ? ? ? ? ? . 24 LEU A O 1715 ATOM 379 N N . THR A 1715 25 . 26.953 -3.446 -3.653 1.00 50.52 ? ? ? ? ? . 25 THR A N 1715 ATOM 380 H H . THR A 1715 25 . 27.226 -4.278 -4.092 1.00 5.10 ? ? ? ? ? . 25 THR A H 1715 ATOM 381 C CA . THR A 1715 25 . 27.950 -2.414 -3.397 1.00 64.23 ? ? ? ? ? . 25 THR A CA 1715 ATOM 382 H HA . THR A 1715 25 . 28.093 -2.346 -2.329 1.00 13.35 ? ? ? ? ? . 25 THR A HA 1715 ATOM 383 C CB . THR A 1715 25 . 29.303 -2.768 -4.044 1.00 21.35 ? ? ? ? ? . 25 THR A CB 1715 ATOM 384 H HB . THR A 1715 25 . 29.603 -3.748 -3.700 1.00 45.11 ? ? ? ? ? . 25 THR A HB 1715 ATOM 385 O OG1 . THR A 1715 25 . 30.296 -1.813 -3.656 1.00 4.53 ? ? ? ? ? . 25 THR A OG1 1715 ATOM 386 H HG1 . THR A 1715 25 . 31.092 -2.273 -3.376 1.00 53.35 ? ? ? ? ? . 25 THR A HG1 1715 ATOM 387 C CG2 . THR A 1715 25 . 29.187 -2.799 -5.560 1.00 33.30 ? ? ? ? ? . 25 THR A CG2 1715 ATOM 388 H 1HG2 . THR A 1715 25 . 29.925 -3.476 -5.964 1.00 42.11 ? ? ? ? ? . 25 THR A 1HG2 1715 ATOM 389 H 2HG2 . THR A 1715 25 . 29.352 -1.808 -5.954 1.00 45.30 ? ? ? ? ? . 25 THR A 2HG2 1715 ATOM 390 H 3HG2 . THR A 1715 25 . 28.200 -3.137 -5.838 1.00 13.11 ? ? ? ? ? . 25 THR A 3HG2 1715 ATOM 391 C C . THR A 1715 25 . 27.488 -1.060 -3.922 1.00 42.15 ? ? ? ? ? . 25 THR A C 1715 ATOM 392 O O . THR A 1715 25 . 27.707 -0.029 -3.286 1.00 44.02 ? ? ? ? ? . 25 THR A O 1715 ATOM 393 N N . ASP A 1715 26 . 26.847 -1.069 -5.086 1.00 23.30 ? ? ? ? ? . 26 ASP A N 1715 ATOM 394 H H . ASP A 1715 26 . 26.703 -1.923 -5.545 1.00 70.33 ? ? ? ? ? . 26 ASP A H 1715 ATOM 395 C CA . ASP A 1715 26 . 26.352 0.159 -5.696 1.00 40.21 ? ? ? ? ? . 26 ASP A CA 1715 ATOM 396 H HA . ASP A 1715 26 . 27.203 0.785 -5.920 1.00 31.24 ? ? ? ? ? . 26 ASP A HA 1715 ATOM 397 C CB . ASP A 1715 26 . 25.611 -0.155 -6.997 1.00 11.24 ? ? ? ? ? . 26 ASP A CB 1715 ATOM 398 H 2HB . ASP A 1715 26 . 25.702 -1.210 -7.209 1.00 74.24 ? ? ? ? ? . 26 ASP A 2HB 1715 ATOM 399 H 3HB . ASP A 1715 26 . 24.567 0.096 -6.878 1.00 21.11 ? ? ? ? ? . 26 ASP A 3HB 1715 ATOM 400 C CG . ASP A 1715 26 . 26.160 0.621 -8.178 1.00 22.32 ? ? ? ? ? . 26 ASP A CG 1715 ATOM 401 O OD1 . ASP A 1715 26 . 25.351 1.135 -8.979 1.00 20.25 ? ? ? ? ? . 26 ASP A OD1 1715 ATOM 402 O OD2 . ASP A 1715 26 . 27.399 0.714 -8.301 1.00 41.40 ? ? ? ? ? . 26 ASP A OD2 1715 ATOM 403 C C . ASP A 1715 26 . 25.430 0.908 -4.739 1.00 2.12 ? ? ? ? ? . 26 ASP A C 1715 ATOM 404 O O . ASP A 1715 26 . 25.285 2.127 -4.827 1.00 25.10 ? ? ? ? ? . 26 ASP A O 1715 ATOM 405 N N . ALA A 1715 27 . 24.808 0.170 -3.825 1.00 62.24 ? ? ? ? ? . 27 ALA A N 1715 ATOM 406 H H . ALA A 1715 27 . 24.964 -0.797 -3.805 1.00 62.34 ? ? ? ? ? . 27 ALA A H 1715 ATOM 407 C CA . ALA A 1715 27 . 23.901 0.764 -2.851 1.00 61.03 ? ? ? ? ? . 27 ALA A CA 1715 ATOM 408 H HA . ALA A 1715 27 . 23.400 1.595 -3.326 1.00 12.32 ? ? ? ? ? . 27 ALA A HA 1715 ATOM 409 C CB . ALA A 1715 27 . 22.845 -0.246 -2.429 1.00 74.31 ? ? ? ? ? . 27 ALA A CB 1715 ATOM 410 H 1HB . ALA A 1715 27 . 22.982 -1.163 -2.985 1.00 11.34 ? ? ? ? ? . 27 ALA A 1HB 1715 ATOM 411 H 2HB . ALA A 1715 27 . 22.941 -0.447 -1.373 1.00 31.34 ? ? ? ? ? . 27 ALA A 2HB 1715 ATOM 412 H 3HB . ALA A 1715 27 . 21.863 0.154 -2.632 1.00 13.20 ? ? ? ? ? . 27 ALA A 3HB 1715 ATOM 413 C C . ALA A 1715 27 . 24.662 1.276 -1.633 1.00 45.34 ? ? ? ? ? . 27 ALA A C 1715 ATOM 414 O O . ALA A 1715 27 . 24.615 2.465 -1.314 1.00 23.13 ? ? ? ? ? . 27 ALA A O 1715 ATOM 415 N N . LEU A 1715 28 . 25.363 0.373 -0.957 1.00 1.14 ? ? ? ? ? . 28 LEU A N 1715 ATOM 416 H H . LEU A 1715 28 . 25.362 -0.558 -1.260 1.00 22.55 ? ? ? ? ? . 28 LEU A H 1715 ATOM 417 C CA . LEU A 1715 28 . 26.135 0.734 0.228 1.00 73.23 ? ? ? ? ? . 28 LEU A CA 1715 ATOM 418 H HA . LEU A 1715 28 . 25.449 1.128 0.962 1.00 12.54 ? ? ? ? ? . 28 LEU A HA 1715 ATOM 419 C CB . LEU A 1715 28 . 26.827 -0.502 0.805 1.00 2.12 ? ? ? ? ? . 28 LEU A CB 1715 ATOM 420 H 2HB . LEU A 1715 28 . 27.660 -0.744 0.163 1.00 22.25 ? ? ? ? ? . 28 LEU A 2HB 1715 ATOM 421 H 3HB . LEU A 1715 28 . 27.195 -0.244 1.788 1.00 23.53 ? ? ? ? ? . 28 LEU A 3HB 1715 ATOM 422 C CG . LEU A 1715 28 . 25.961 -1.755 0.941 1.00 0.42 ? ? ? ? ? . 28 LEU A CG 1715 ATOM 423 H HG . LEU A 1715 28 . 25.756 -2.151 -0.044 1.00 31.54 ? ? ? ? ? . 28 LEU A HG 1715 ATOM 424 C CD1 . LEU A 1715 28 . 26.693 -2.826 1.735 1.00 54.10 ? ? ? ? ? . 28 LEU A CD1 1715 ATOM 425 H 1HD1 . LEU A 1715 28 . 26.026 -3.244 2.474 1.00 5.13 ? ? ? ? ? . 28 LEU A 1HD1 1715 ATOM 426 H 2HD1 . LEU A 1715 28 . 27.548 -2.388 2.228 1.00 51.43 ? ? ? ? ? . 28 LEU A 2HD1 1715 ATOM 427 H 3HD1 . LEU A 1715 28 . 27.024 -3.606 1.066 1.00 62.34 ? ? ? ? ? . 28 LEU A 3HD1 1715 ATOM 428 C CD2 . LEU A 1715 28 . 24.632 -1.415 1.599 1.00 33.04 ? ? ? ? ? . 28 LEU A CD2 1715 ATOM 429 H 1HD2 . LEU A 1715 28 . 24.793 -0.684 2.378 1.00 15.00 ? ? ? ? ? . 28 LEU A 1HD2 1715 ATOM 430 H 2HD2 . LEU A 1715 28 . 24.204 -2.310 2.029 1.00 53.54 ? ? ? ? ? . 28 LEU A 2HD2 1715 ATOM 431 H 3HD2 . LEU A 1715 28 . 23.957 -1.011 0.860 1.00 74.22 ? ? ? ? ? . 28 LEU A 3HD2 1715 ATOM 432 C C . LEU A 1715 28 . 27.171 1.804 -0.102 1.00 73.43 ? ? ? ? ? . 28 LEU A C 1715 ATOM 433 O O . LEU A 1715 28 . 27.655 2.507 0.784 1.00 11.32 ? ? ? ? ? . 28 LEU A O 1715 ATOM 434 N N . ARG A 1715 29 . 27.504 1.922 -1.383 1.00 64.43 ? ? ? ? ? . 29 ARG A N 1715 ATOM 435 H H . ARG A 1715 29 . 27.084 1.332 -2.044 1.00 32.25 ? ? ? ? ? . 29 ARG A H 1715 ATOM 436 C CA . ARG A 1715 29 . 28.482 2.906 -1.831 1.00 11.44 ? ? ? ? ? . 29 ARG A CA 1715 ATOM 437 H HA . ARG A 1715 29 . 29.185 3.064 -1.027 1.00 44.40 ? ? ? ? ? . 29 ARG A HA 1715 ATOM 438 C CB . ARG A 1715 29 . 29.235 2.388 -3.057 1.00 4.01 ? ? ? ? ? . 29 ARG A CB 1715 ATOM 439 H 2HB . ARG A 1715 29 . 30.145 2.959 -3.174 1.00 21.51 ? ? ? ? ? . 29 ARG A 2HB 1715 ATOM 440 H 3HB . ARG A 1715 29 . 29.489 1.351 -2.897 1.00 34.14 ? ? ? ? ? . 29 ARG A 3HB 1715 ATOM 441 C CG . ARG A 1715 29 . 28.441 2.490 -4.348 1.00 54.34 ? ? ? ? ? . 29 ARG A CG 1715 ATOM 442 H 2HG . ARG A 1715 29 . 28.714 1.669 -4.995 1.00 11.24 ? ? ? ? ? . 29 ARG A 2HG 1715 ATOM 443 H 3HG . ARG A 1715 29 . 27.387 2.434 -4.117 1.00 43.01 ? ? ? ? ? . 29 ARG A 3HG 1715 ATOM 444 C CD . ARG A 1715 29 . 28.719 3.798 -5.072 1.00 4.40 ? ? ? ? ? . 29 ARG A CD 1715 ATOM 445 H 2HD . ARG A 1715 29 . 27.778 4.242 -5.361 1.00 45.22 ? ? ? ? ? . 29 ARG A 2HD 1715 ATOM 446 H 3HD . ARG A 1715 29 . 29.239 4.463 -4.398 1.00 14.31 ? ? ? ? ? . 29 ARG A 3HD 1715 ATOM 447 N NE . ARG A 1715 29 . 29.537 3.600 -6.266 1.00 55.00 ? ? ? ? ? . 29 ARG A NE 1715 ATOM 448 H HE . ARG A 1715 29 . 29.877 2.698 -6.438 1.00 24.10 ? ? ? ? ? . 29 ARG A HE 1715 ATOM 449 C CZ . ARG A 1715 29 . 29.837 4.571 -7.121 1.00 55.40 ? ? ? ? ? . 29 ARG A CZ 1715 ATOM 450 N NH1 . ARG A 1715 29 . 29.389 5.802 -6.914 1.00 43.45 ? ? ? ? ? . 29 ARG A NH1 1715 ATOM 451 H 1HH1 . ARG A 1715 29 . 28.825 6.001 -6.113 1.00 25.40 ? ? ? ? ? . 29 ARG A 1HH1 1715 ATOM 452 H 2HH1 . ARG A 1715 29 . 29.618 6.532 -7.559 1.00 53.32 ? ? ? ? ? . 29 ARG A 2HH1 1715 ATOM 453 N NH2 . ARG A 1715 29 . 30.586 4.312 -8.185 1.00 52.41 ? ? ? ? ? . 29 ARG A NH2 1715 ATOM 454 H 1HH2 . ARG A 1715 29 . 30.925 3.386 -8.344 1.00 31.30 ? ? ? ? ? . 29 ARG A 1HH2 1715 ATOM 455 H 2HH2 . ARG A 1715 29 . 30.811 5.044 -8.828 1.00 32.11 ? ? ? ? ? . 29 ARG A 2HH2 1715 ATOM 456 C C . ARG A 1715 29 . 27.805 4.234 -2.160 1.00 32.31 ? ? ? ? ? . 29 ARG A C 1715 ATOM 457 O O . ARG A 1715 29 . 28.443 5.287 -2.155 1.00 53.11 ? ? ? ? ? . 29 ARG A O 1715 ATOM 458 N N . THR A 1715 30 . 26.508 4.176 -2.447 1.00 31.44 ? ? ? ? ? . 30 THR A N 1715 ATOM 459 H H . THR A 1715 30 . 26.055 3.307 -2.434 1.00 22.42 ? ? ? ? ? . 30 THR A H 1715 ATOM 460 C CA . THR A 1715 30 . 25.745 5.371 -2.780 1.00 15.51 ? ? ? ? ? . 30 THR A CA 1715 ATOM 461 H HA . THR A 1715 30 . 26.411 6.068 -3.267 1.00 64.25 ? ? ? ? ? . 30 THR A HA 1715 ATOM 462 C CB . THR A 1715 30 . 24.590 5.049 -3.747 1.00 40.54 ? ? ? ? ? . 30 THR A CB 1715 ATOM 463 H HB . THR A 1715 30 . 23.993 4.257 -3.320 1.00 15.03 ? ? ? ? ? . 30 THR A HB 1715 ATOM 464 O OG1 . THR A 1715 30 . 25.113 4.612 -5.006 1.00 44.25 ? ? ? ? ? . 30 THR A OG1 1715 ATOM 465 H HG1 . THR A 1715 30 . 24.588 3.879 -5.334 1.00 74.44 ? ? ? ? ? . 30 THR A HG1 1715 ATOM 466 C CG2 . THR A 1715 30 . 23.703 6.268 -3.957 1.00 25.14 ? ? ? ? ? . 30 THR A CG2 1715 ATOM 467 H 1HG2 . THR A 1715 30 . 22.904 6.019 -4.639 1.00 23.21 ? ? ? ? ? . 30 THR A 1HG2 1715 ATOM 468 H 2HG2 . THR A 1715 30 . 24.291 7.074 -4.369 1.00 44.12 ? ? ? ? ? . 30 THR A 2HG2 1715 ATOM 469 H 3HG2 . THR A 1715 30 . 23.285 6.575 -3.010 1.00 23.11 ? ? ? ? ? . 30 THR A 3HG2 1715 ATOM 470 C C . THR A 1715 30 . 25.175 6.027 -1.527 1.00 52.02 ? ? ? ? ? . 30 THR A C 1715 ATOM 471 O O . THR A 1715 30 . 24.994 7.245 -1.478 1.00 64.43 ? ? ? ? ? . 30 THR A O 1715 ATOM 472 N N . LEU A 1715 31 . 24.893 5.214 -0.515 1.00 65.43 ? ? ? ? ? . 31 LEU A N 1715 ATOM 473 H H . LEU A 1715 31 . 25.059 4.253 -0.613 1.00 54.03 ? ? ? ? ? . 31 LEU A H 1715 ATOM 474 C CA . LEU A 1715 31 . 24.344 5.715 0.740 1.00 43.13 ? ? ? ? ? . 31 LEU A CA 1715 ATOM 475 H HA . LEU A 1715 31 . 24.064 6.747 0.590 1.00 73.05 ? ? ? ? ? . 31 LEU A HA 1715 ATOM 476 C CB . LEU A 1715 31 . 23.103 4.913 1.133 1.00 75.15 ? ? ? ? ? . 31 LEU A CB 1715 ATOM 477 H 2HB . LEU A 1715 31 . 23.424 4.086 1.747 1.00 70.24 ? ? ? ? ? . 31 LEU A 2HB 1715 ATOM 478 H 3HB . LEU A 1715 31 . 22.461 5.561 1.712 1.00 13.20 ? ? ? ? ? . 31 LEU A 3HB 1715 ATOM 479 C CG . LEU A 1715 31 . 22.277 4.345 -0.023 1.00 0.24 ? ? ? ? ? . 31 LEU A CG 1715 ATOM 480 H HG . LEU A 1715 31 . 22.816 3.522 -0.472 1.00 10.15 ? ? ? ? ? . 31 LEU A HG 1715 ATOM 481 C CD1 . LEU A 1715 31 . 20.946 3.813 0.484 1.00 74.31 ? ? ? ? ? . 31 LEU A CD1 1715 ATOM 482 H 1HD1 . LEU A 1715 31 . 20.525 3.141 -0.248 1.00 74.34 ? ? ? ? ? . 31 LEU A 1HD1 1715 ATOM 483 H 2HD1 . LEU A 1715 31 . 20.267 4.637 0.648 1.00 24.13 ? ? ? ? ? . 31 LEU A 2HD1 1715 ATOM 484 H 3HD1 . LEU A 1715 31 . 21.100 3.283 1.413 1.00 52.31 ? ? ? ? ? . 31 LEU A 3HD1 1715 ATOM 485 C CD2 . LEU A 1715 31 . 22.057 5.405 -1.092 1.00 65.15 ? ? ? ? ? . 31 LEU A CD2 1715 ATOM 486 H 1HD2 . LEU A 1715 31 . 22.307 4.996 -2.060 1.00 73.53 ? ? ? ? ? . 31 LEU A 1HD2 1715 ATOM 487 H 2HD2 . LEU A 1715 31 . 22.689 6.258 -0.889 1.00 71.21 ? ? ? ? ? . 31 LEU A 2HD2 1715 ATOM 488 H 3HD2 . LEU A 1715 31 . 21.023 5.713 -1.087 1.00 74.21 ? ? ? ? ? . 31 LEU A 3HD2 1715 ATOM 489 C C . LEU A 1715 31 . 25.383 5.645 1.855 1.00 54.31 ? ? ? ? ? . 31 LEU A C 1715 ATOM 490 O O . LEU A 1715 31 . 25.274 6.343 2.862 1.00 4.13 ? ? ? ? ? . 31 LEU A O 1715 ATOM 491 N N . GLY A 1715 32 . 26.391 4.799 1.666 1.00 13.10 ? ? ? ? ? . 32 GLY A N 1715 ATOM 492 H H . GLY A 1715 32 . 26.425 4.268 0.843 1.00 63.01 ? ? ? ? ? . 32 GLY A H 1715 ATOM 493 C CA . GLY A 1715 32 . 27.435 4.655 2.663 1.00 3.41 ? ? ? ? ? . 32 GLY A CA 1715 ATOM 494 H 2HA . GLY A 1715 32 . 27.250 5.353 3.466 1.00 11.11 ? ? ? ? ? . 32 GLY A 2HA 1715 ATOM 495 H 3HA . GLY A 1715 32 . 27.404 3.651 3.058 1.00 31.44 ? ? ? ? ? . 32 GLY A 3HA 1715 ATOM 496 C C . GLY A 1715 32 . 28.817 4.915 2.097 1.00 62.33 ? ? ? ? ? . 32 GLY A C 1715 ATOM 497 O O . GLY A 1715 32 . 29.740 5.270 2.830 1.00 34.23 ? ? ? ? ? . 32 GLY A O 1715 ATOM 498 N N . SER A 1715 33 . 28.962 4.735 0.788 1.00 54.34 ? ? ? ? ? . 33 SER A N 1715 ATOM 499 H H . SER A 1715 33 . 28.188 4.451 0.256 1.00 4.41 ? ? ? ? ? . 33 SER A H 1715 ATOM 500 C CA . SER A 1715 33 . 30.243 4.947 0.124 1.00 73.12 ? ? ? ? ? . 33 SER A CA 1715 ATOM 501 H HA . SER A 1715 33 . 30.075 4.905 -0.942 1.00 73.00 ? ? ? ? ? . 33 SER A HA 1715 ATOM 502 C CB . SER A 1715 33 . 30.807 6.322 0.485 1.00 3.13 ? ? ? ? ? . 33 SER A CB 1715 ATOM 503 H 2HB . SER A 1715 33 . 29.993 7.002 0.684 1.00 71.02 ? ? ? ? ? . 33 SER A 2HB 1715 ATOM 504 H 3HB . SER A 1715 33 . 31.426 6.234 1.367 1.00 72.32 ? ? ? ? ? . 33 SER A 3HB 1715 ATOM 505 O OG . SER A 1715 33 . 31.592 6.845 -0.573 1.00 13.44 ? ? ? ? ? . 33 SER A OG 1715 ATOM 506 H HG . SER A 1715 33 . 31.170 7.632 -0.925 1.00 51.51 ? ? ? ? ? . 33 SER A HG 1715 ATOM 507 C C . SER A 1715 33 . 31.240 3.858 0.508 1.00 11.10 ? ? ? ? ? . 33 SER A C 1715 ATOM 508 O O . SER A 1715 33 . 32.447 4.096 0.566 1.00 52.52 ? ? ? ? ? . 33 SER A O 1715 ATOM 509 N N . THR A 1715 34 . 30.727 2.660 0.771 1.00 53.14 ? ? ? ? ? . 34 THR A N 1715 ATOM 510 H H . THR A 1715 34 . 29.757 2.532 0.707 1.00 2.55 ? ? ? ? ? . 34 THR A H 1715 ATOM 511 C CA . THR A 1715 34 . 31.570 1.534 1.151 1.00 61.15 ? ? ? ? ? . 34 THR A CA 1715 ATOM 512 H HA . THR A 1715 34 . 32.436 1.924 1.666 1.00 54.30 ? ? ? ? ? . 34 THR A HA 1715 ATOM 513 C CB . THR A 1715 34 . 30.831 0.575 2.103 1.00 4.25 ? ? ? ? ? . 34 THR A CB 1715 ATOM 514 H HB . THR A 1715 34 . 30.217 1.160 2.773 1.00 52.11 ? ? ? ? ? . 34 THR A HB 1715 ATOM 515 O OG1 . THR A 1715 34 . 31.777 -0.175 2.873 1.00 21.34 ? ? ? ? ? . 34 THR A OG1 1715 ATOM 516 H HG1 . THR A 1715 34 . 31.905 0.249 3.725 1.00 1.13 ? ? ? ? ? . 34 THR A HG1 1715 ATOM 517 C CG2 . THR A 1715 34 . 29.934 -0.376 1.326 1.00 41.21 ? ? ? ? ? . 34 THR A CG2 1715 ATOM 518 H 1HG2 . THR A 1715 34 . 29.130 -0.714 1.963 1.00 51.34 ? ? ? ? ? . 34 THR A 1HG2 1715 ATOM 519 H 2HG2 . THR A 1715 34 . 30.512 -1.225 0.994 1.00 21.40 ? ? ? ? ? . 34 THR A 2HG2 1715 ATOM 520 H 3HG2 . THR A 1715 34 . 29.523 0.137 0.469 1.00 3.04 ? ? ? ? ? . 34 THR A 3HG2 1715 ATOM 521 C C . THR A 1715 34 . 32.034 0.756 -0.076 1.00 31.14 ? ? ? ? ? . 34 THR A C 1715 ATOM 522 O O . THR A 1715 34 . 31.824 1.185 -1.210 1.00 61.53 ? ? ? ? ? . 34 THR A O 1715 ATOM 523 N N . SER A 1715 35 . 32.665 -0.390 0.160 1.00 33.10 ? ? ? ? ? . 35 SER A N 1715 ATOM 524 H H . SER A 1715 35 . 32.802 -0.678 1.087 1.00 75.21 ? ? ? ? ? . 35 SER A H 1715 ATOM 525 C CA . SER A 1715 35 . 33.161 -1.227 -0.926 1.00 41.22 ? ? ? ? ? . 35 SER A CA 1715 ATOM 526 H HA . SER A 1715 35 . 32.835 -0.788 -1.858 1.00 23.43 ? ? ? ? ? . 35 SER A HA 1715 ATOM 527 C CB . SER A 1715 35 . 34.690 -1.272 -0.905 1.00 61.51 ? ? ? ? ? . 35 SER A CB 1715 ATOM 528 H 2HB . SER A 1715 35 . 35.017 -1.924 -0.110 1.00 23.35 ? ? ? ? ? . 35 SER A 2HB 1715 ATOM 529 H 3HB . SER A 1715 35 . 35.049 -1.651 -1.851 1.00 42.24 ? ? ? ? ? . 35 SER A 3HB 1715 ATOM 530 O OG . SER A 1715 35 . 35.236 0.018 -0.692 1.00 60.21 ? ? ? ? ? . 35 SER A OG 1715 ATOM 531 H HG . SER A 1715 35 . 36.193 -0.044 -0.638 1.00 55.13 ? ? ? ? ? . 35 SER A HG 1715 ATOM 532 C C . SER A 1715 35 . 32.597 -2.641 -0.824 1.00 3.30 ? ? ? ? ? . 35 SER A C 1715 ATOM 533 O O . SER A 1715 35 . 31.715 -2.911 -0.010 1.00 75.44 ? ? ? ? ? . 35 SER A O 1715 ATOM 534 N N . ALA A 1715 36 . 33.114 -3.539 -1.656 1.00 44.31 ? ? ? ? ? . 36 ALA A N 1715 ATOM 535 H H . ALA A 1715 36 . 33.816 -3.262 -2.282 1.00 32.22 ? ? ? ? ? . 36 ALA A H 1715 ATOM 536 C CA . ALA A 1715 36 . 32.665 -4.925 -1.659 1.00 61.30 ? ? ? ? ? . 36 ALA A CA 1715 ATOM 537 H HA . ALA A 1715 36 . 31.585 -4.926 -1.688 1.00 32.11 ? ? ? ? ? . 36 ALA A HA 1715 ATOM 538 C CB . ALA A 1715 36 . 33.171 -5.642 -2.902 1.00 44.43 ? ? ? ? ? . 36 ALA A CB 1715 ATOM 539 H 1HB . ALA A 1715 36 . 34.071 -6.189 -2.660 1.00 50.31 ? ? ? ? ? . 36 ALA A 1HB 1715 ATOM 540 H 2HB . ALA A 1715 36 . 32.416 -6.328 -3.255 1.00 10.22 ? ? ? ? ? . 36 ALA A 2HB 1715 ATOM 541 H 3HB . ALA A 1715 36 . 33.387 -4.916 -3.672 1.00 62.24 ? ? ? ? ? . 36 ALA A 3HB 1715 ATOM 542 C C . ALA A 1715 36 . 33.126 -5.654 -0.402 1.00 20.55 ? ? ? ? ? . 36 ALA A C 1715 ATOM 543 O O . ALA A 1715 36 . 32.507 -6.630 0.024 1.00 11.32 ? ? ? ? ? . 36 ALA A O 1715 ATOM 544 N N . ASP A 1715 37 . 34.216 -5.176 0.188 1.00 61.11 ? ? ? ? ? . 37 ASP A N 1715 ATOM 545 H H . ASP A 1715 37 . 34.666 -4.396 -0.199 1.00 54.35 ? ? ? ? ? . 37 ASP A H 1715 ATOM 546 C CA . ASP A 1715 37 . 34.760 -5.783 1.397 1.00 0.44 ? ? ? ? ? . 37 ASP A CA 1715 ATOM 547 H HA . ASP A 1715 37 . 35.105 -6.774 1.145 1.00 12.12 ? ? ? ? ? . 37 ASP A HA 1715 ATOM 548 C CB . ASP A 1715 37 . 35.942 -4.963 1.918 1.00 51.24 ? ? ? ? ? . 37 ASP A CB 1715 ATOM 549 H 2HB . ASP A 1715 37 . 35.737 -3.913 1.767 1.00 44.31 ? ? ? ? ? . 37 ASP A 2HB 1715 ATOM 550 H 3HB . ASP A 1715 37 . 36.067 -5.153 2.973 1.00 33.23 ? ? ? ? ? . 37 ASP A 3HB 1715 ATOM 551 C CG . ASP A 1715 37 . 37.239 -5.304 1.211 1.00 70.30 ? ? ? ? ? . 37 ASP A CG 1715 ATOM 552 O OD1 . ASP A 1715 37 . 37.817 -6.370 1.513 1.00 53.23 ? ? ? ? ? . 37 ASP A OD1 1715 ATOM 553 O OD2 . ASP A 1715 37 . 37.676 -4.507 0.356 1.00 51.44 ? ? ? ? ? . 37 ASP A OD2 1715 ATOM 554 C C . ASP A 1715 37 . 33.689 -5.896 2.478 1.00 53.44 ? ? ? ? ? . 37 ASP A C 1715 ATOM 555 O O . ASP A 1715 37 . 33.768 -6.754 3.356 1.00 60.04 ? ? ? ? ? . 37 ASP A O 1715 ATOM 556 N N . GLU A 1715 38 . 32.689 -5.022 2.406 1.00 31.41 ? ? ? ? ? . 38 GLU A N 1715 ATOM 557 H H . GLU A 1715 38 . 32.681 -4.362 1.682 1.00 5.24 ? ? ? ? ? . 38 GLU A H 1715 ATOM 558 C CA . GLU A 1715 38 . 31.603 -5.024 3.380 1.00 42.15 ? ? ? ? ? . 38 GLU A CA 1715 ATOM 559 H HA . GLU A 1715 38 . 31.894 -5.663 4.200 1.00 41.43 ? ? ? ? ? . 38 GLU A HA 1715 ATOM 560 C CB . GLU A 1715 38 . 31.364 -3.609 3.912 1.00 72.52 ? ? ? ? ? . 38 GLU A CB 1715 ATOM 561 H 2HB . GLU A 1715 38 . 30.756 -3.069 3.202 1.00 55.32 ? ? ? ? ? . 38 GLU A 2HB 1715 ATOM 562 H 3HB . GLU A 1715 38 . 30.832 -3.676 4.850 1.00 62.44 ? ? ? ? ? . 38 GLU A 3HB 1715 ATOM 563 C CG . GLU A 1715 38 . 32.642 -2.822 4.144 1.00 43.12 ? ? ? ? ? . 38 GLU A CG 1715 ATOM 564 H 2HG . GLU A 1715 38 . 33.189 -2.765 3.214 1.00 14.23 ? ? ? ? ? . 38 GLU A 2HG 1715 ATOM 565 H 3HG . GLU A 1715 38 . 32.382 -1.825 4.469 1.00 61.32 ? ? ? ? ? . 38 GLU A 3HG 1715 ATOM 566 C CD . GLU A 1715 38 . 33.536 -3.456 5.192 1.00 70.01 ? ? ? ? ? . 38 GLU A CD 1715 ATOM 567 O OE1 . GLU A 1715 38 . 33.053 -3.688 6.320 1.00 23.52 ? ? ? ? ? . 38 GLU A OE1 1715 ATOM 568 O OE2 . GLU A 1715 38 . 34.717 -3.719 4.885 1.00 62.54 ? ? ? ? ? . 38 GLU A OE2 1715 ATOM 569 C C . GLU A 1715 38 . 30.319 -5.571 2.762 1.00 44.21 ? ? ? ? ? . 38 GLU A C 1715 ATOM 570 O O . GLU A 1715 38 . 29.369 -5.904 3.470 1.00 1.32 ? ? ? ? ? . 38 GLU A O 1715 ATOM 571 N N . VAL A 1715 39 . 30.299 -5.660 1.436 1.00 70.12 ? ? ? ? ? . 39 VAL A N 1715 ATOM 572 H H . VAL A 1715 39 . 31.087 -5.379 0.926 1.00 61.33 ? ? ? ? ? . 39 VAL A H 1715 ATOM 573 C CA . VAL A 1715 39 . 29.133 -6.167 0.722 1.00 42.35 ? ? ? ? ? . 39 VAL A CA 1715 ATOM 574 H HA . VAL A 1715 39 . 28.257 -5.684 1.128 1.00 55.50 ? ? ? ? ? . 39 VAL A HA 1715 ATOM 575 C CB . VAL A 1715 39 . 29.211 -5.841 -0.782 1.00 61.50 ? ? ? ? ? . 39 VAL A CB 1715 ATOM 576 H HB . VAL A 1715 39 . 30.178 -6.154 -1.148 1.00 21.23 ? ? ? ? ? . 39 VAL A HB 1715 ATOM 577 C CG1 . VAL A 1715 39 . 28.143 -6.605 -1.550 1.00 14.23 ? ? ? ? ? . 39 VAL A CG1 1715 ATOM 578 H 1HG1 . VAL A 1715 39 . 27.203 -6.538 -1.021 1.00 22.34 ? ? ? ? ? . 39 VAL A 1HG1 1715 ATOM 579 H 2HG1 . VAL A 1715 39 . 28.033 -6.178 -2.536 1.00 10.33 ? ? ? ? ? . 39 VAL A 2HG1 1715 ATOM 580 H 3HG1 . VAL A 1715 39 . 28.433 -7.641 -1.636 1.00 63.52 ? ? ? ? ? . 39 VAL A 3HG1 1715 ATOM 581 C CG2 . VAL A 1715 39 . 29.076 -4.344 -1.010 1.00 52.44 ? ? ? ? ? . 39 VAL A CG2 1715 ATOM 582 H 1HG2 . VAL A 1715 39 . 28.084 -4.124 -1.377 1.00 63.45 ? ? ? ? ? . 39 VAL A 1HG2 1715 ATOM 583 H 2HG2 . VAL A 1715 39 . 29.238 -3.821 -0.079 1.00 3.31 ? ? ? ? ? . 39 VAL A 2HG2 1715 ATOM 584 H 3HG2 . VAL A 1715 39 . 29.808 -4.022 -1.736 1.00 2.14 ? ? ? ? ? . 39 VAL A 3HG2 1715 ATOM 585 C C . VAL A 1715 39 . 28.993 -7.675 0.898 1.00 42.54 ? ? ? ? ? . 39 VAL A C 1715 ATOM 586 O O . VAL A 1715 39 . 27.996 -8.156 1.434 1.00 73.12 ? ? ? ? ? . 39 VAL A O 1715 ATOM 587 N N . GLN A 1715 40 . 30.000 -8.414 0.443 1.00 52.22 ? ? ? ? ? . 40 GLN A N 1715 ATOM 588 H H . GLN A 1715 40 . 30.767 -7.971 0.025 1.00 23.42 ? ? ? ? ? . 40 GLN A H 1715 ATOM 589 C CA . GLN A 1715 40 . 29.988 -9.868 0.550 1.00 3.12 ? ? ? ? ? . 40 GLN A CA 1715 ATOM 590 H HA . GLN A 1715 40 . 29.202 -10.241 -0.088 1.00 34.13 ? ? ? ? ? . 40 GLN A HA 1715 ATOM 591 C CB . GLN A 1715 40 . 31.325 -10.446 0.081 1.00 12.40 ? ? ? ? ? . 40 GLN A CB 1715 ATOM 592 H 2HB . GLN A 1715 40 . 31.400 -11.468 0.420 1.00 44.01 ? ? ? ? ? . 40 GLN A 2HB 1715 ATOM 593 H 3HB . GLN A 1715 40 . 31.351 -10.430 -0.999 1.00 10.34 ? ? ? ? ? . 40 GLN A 3HB 1715 ATOM 594 C CG . GLN A 1715 40 . 32.533 -9.681 0.598 1.00 71.23 ? ? ? ? ? . 40 GLN A CG 1715 ATOM 595 H 2HG . GLN A 1715 40 . 32.735 -8.858 -0.071 1.00 41.22 ? ? ? ? ? . 40 GLN A 2HG 1715 ATOM 596 H 3HG . GLN A 1715 40 . 32.306 -9.297 1.581 1.00 32.12 ? ? ? ? ? . 40 GLN A 3HG 1715 ATOM 597 C CD . GLN A 1715 40 . 33.775 -10.546 0.689 1.00 10.52 ? ? ? ? ? . 40 GLN A CD 1715 ATOM 598 O OE1 . GLN A 1715 40 . 34.836 -10.184 0.180 1.00 40.22 ? ? ? ? ? . 40 GLN A OE1 1715 ATOM 599 N NE2 . GLN A 1715 40 . 33.650 -11.696 1.341 1.00 15.41 ? ? ? ? ? . 40 GLN A NE2 1715 ATOM 600 H 1HE2 . GLN A 1715 40 . 32.773 -11.919 1.720 1.00 1.02 ? ? ? ? ? . 40 GLN A 1HE2 1715 ATOM 601 H 2HE2 . GLN A 1715 40 . 34.436 -12.274 1.415 1.00 71.12 ? ? ? ? ? . 40 GLN A 2HE2 1715 ATOM 602 C C . GLN A 1715 40 . 29.707 -10.306 1.984 1.00 51.32 ? ? ? ? ? . 40 GLN A C 1715 ATOM 603 O O . GLN A 1715 40 . 29.207 -11.406 2.220 1.00 11.54 ? ? ? ? ? . 40 GLN A O 1715 ATOM 604 N N . ARG A 1715 41 . 30.032 -9.438 2.937 1.00 73.13 ? ? ? ? ? . 41 ARG A N 1715 ATOM 605 H H . ARG A 1715 41 . 30.427 -8.577 2.685 1.00 21.24 ? ? ? ? ? . 41 ARG A H 1715 ATOM 606 C CA . ARG A 1715 41 . 29.815 -9.736 4.347 1.00 23.14 ? ? ? ? ? . 41 ARG A CA 1715 ATOM 607 H HA . ARG A 1715 41 . 29.980 -10.793 4.492 1.00 23.24 ? ? ? ? ? . 41 ARG A HA 1715 ATOM 608 C CB . ARG A 1715 41 . 30.805 -8.955 5.213 1.00 0.34 ? ? ? ? ? . 41 ARG A CB 1715 ATOM 609 H 2HB . ARG A 1715 41 . 30.414 -7.961 5.380 1.00 62.55 ? ? ? ? ? . 41 ARG A 2HB 1715 ATOM 610 H 3HB . ARG A 1715 41 . 30.907 -9.456 6.164 1.00 60.32 ? ? ? ? ? . 41 ARG A 3HB 1715 ATOM 611 C CG . ARG A 1715 41 . 32.186 -8.824 4.593 1.00 64.32 ? ? ? ? ? . 41 ARG A CG 1715 ATOM 612 H 2HG . ARG A 1715 41 . 32.108 -8.255 3.678 1.00 31.04 ? ? ? ? ? . 41 ARG A 2HG 1715 ATOM 613 H 3HG . ARG A 1715 41 . 32.835 -8.309 5.286 1.00 54.13 ? ? ? ? ? . 41 ARG A 3HG 1715 ATOM 614 C CD . ARG A 1715 41 . 32.785 -10.186 4.274 1.00 14.50 ? ? ? ? ? . 41 ARG A CD 1715 ATOM 615 H 2HD . ARG A 1715 41 . 32.100 -10.952 4.606 1.00 11.41 ? ? ? ? ? . 41 ARG A 2HD 1715 ATOM 616 H 3HD . ARG A 1715 41 . 32.920 -10.263 3.206 1.00 41.34 ? ? ? ? ? . 41 ARG A 3HD 1715 ATOM 617 N NE . ARG A 1715 41 . 34.073 -10.385 4.932 1.00 43.34 ? ? ? ? ? . 41 ARG A NE 1715 ATOM 618 H HE . ARG A 1715 41 . 34.086 -10.915 5.755 1.00 15.11 ? ? ? ? ? . 41 ARG A HE 1715 ATOM 619 C CZ . ARG A 1715 41 . 35.217 -9.888 4.473 1.00 71.21 ? ? ? ? ? . 41 ARG A CZ 1715 ATOM 620 N NH1 . ARG A 1715 41 . 35.231 -9.167 3.361 1.00 44.43 ? ? ? ? ? . 41 ARG A NH1 1715 ATOM 621 H 1HH1 . ARG A 1715 41 . 34.380 -8.995 2.866 1.00 53.00 ? ? ? ? ? . 41 ARG A 1HH1 1715 ATOM 622 H 2HH1 . ARG A 1715 41 . 36.094 -8.793 3.018 1.00 13.11 ? ? ? ? ? . 41 ARG A 2HH1 1715 ATOM 623 N NH2 . ARG A 1715 41 . 36.349 -10.113 5.128 1.00 40.34 ? ? ? ? ? . 41 ARG A NH2 1715 ATOM 624 H 1HH2 . ARG A 1715 41 . 36.342 -10.656 5.966 1.00 31.05 ? ? ? ? ? . 41 ARG A 1HH2 1715 ATOM 625 H 2HH2 . ARG A 1715 41 . 37.209 -9.739 4.782 1.00 51.14 ? ? ? ? ? . 41 ARG A 2HH2 1715 ATOM 626 C C . ARG A 1715 41 . 28.385 -9.400 4.761 1.00 64.01 ? ? ? ? ? . 41 ARG A C 1715 ATOM 627 O O . ARG A 1715 41 . 27.817 -10.043 5.643 1.00 54.04 ? ? ? ? ? . 41 ARG A O 1715 ATOM 628 N N . MET A 1715 42 . 27.811 -8.388 4.118 1.00 24.31 ? ? ? ? ? . 42 MET A N 1715 ATOM 629 H H . MET A 1715 42 . 28.316 -7.914 3.424 1.00 14.34 ? ? ? ? ? . 42 MET A H 1715 ATOM 630 C CA . MET A 1715 42 . 26.448 -7.968 4.419 1.00 51.41 ? ? ? ? ? . 42 MET A CA 1715 ATOM 631 H HA . MET A 1715 42 . 26.327 -7.978 5.492 1.00 63.13 ? ? ? ? ? . 42 MET A HA 1715 ATOM 632 C CB . MET A 1715 42 . 26.205 -6.547 3.905 1.00 74.20 ? ? ? ? ? . 42 MET A CB 1715 ATOM 633 H 2HB . MET A 1715 42 . 26.804 -5.860 4.484 1.00 73.24 ? ? ? ? ? . 42 MET A 2HB 1715 ATOM 634 H 3HB . MET A 1715 42 . 26.508 -6.494 2.870 1.00 25.22 ? ? ? ? ? . 42 MET A 3HB 1715 ATOM 635 C CG . MET A 1715 42 . 24.752 -6.108 3.998 1.00 43.14 ? ? ? ? ? . 42 MET A CG 1715 ATOM 636 H 2HG . MET A 1715 42 . 24.297 -6.208 3.024 1.00 54.02 ? ? ? ? ? . 42 MET A 2HG 1715 ATOM 637 H 3HG . MET A 1715 42 . 24.241 -6.750 4.700 1.00 50.24 ? ? ? ? ? . 42 MET A 3HG 1715 ATOM 638 S SD . MET A 1715 42 . 24.577 -4.398 4.543 1.00 63.21 ? ? ? ? ? . 42 MET A SD 1715 ATOM 639 C CE . MET A 1715 42 . 25.256 -4.499 6.198 1.00 73.45 ? ? ? ? ? . 42 MET A CE 1715 ATOM 640 H 1HE . MET A 1715 42 . 24.922 -3.651 6.776 1.00 32.02 ? ? ? ? ? . 42 MET A 1HE 1715 ATOM 641 H 2HE . MET A 1715 42 . 24.920 -5.411 6.669 1.00 61.44 ? ? ? ? ? . 42 MET A 2HE 1715 ATOM 642 H 3HE . MET A 1715 42 . 26.335 -4.497 6.144 1.00 11.14 ? ? ? ? ? . 42 MET A 3HE 1715 ATOM 643 C C . MET A 1715 42 . 25.434 -8.925 3.800 1.00 24.23 ? ? ? ? ? . 42 MET A C 1715 ATOM 644 O O . MET A 1715 42 . 24.446 -9.292 4.435 1.00 53.42 ? ? ? ? ? . 42 MET A O 1715 ATOM 645 N N . MET A 1715 43 . 25.687 -9.326 2.559 1.00 62.23 ? ? ? ? ? . 43 MET A N 1715 ATOM 646 H H . MET A 1715 43 . 26.492 -9.000 2.104 1.00 12.53 ? ? ? ? ? . 43 MET A H 1715 ATOM 647 C CA . MET A 1715 43 . 24.796 -10.242 1.856 1.00 64.14 ? ? ? ? ? . 43 MET A CA 1715 ATOM 648 H HA . MET A 1715 43 . 23.781 -9.933 2.052 1.00 10.43 ? ? ? ? ? . 43 MET A HA 1715 ATOM 649 C CB . MET A 1715 43 . 25.052 -10.180 0.349 1.00 41.15 ? ? ? ? ? . 43 MET A CB 1715 ATOM 650 H 2HB . MET A 1715 43 . 24.476 -10.954 -0.135 1.00 35.32 ? ? ? ? ? . 43 MET A 2HB 1715 ATOM 651 H 3HB . MET A 1715 43 . 24.729 -9.218 -0.020 1.00 51.14 ? ? ? ? ? . 43 MET A 3HB 1715 ATOM 652 C CG . MET A 1715 43 . 26.513 -10.368 -0.028 1.00 53.33 ? ? ? ? ? . 43 MET A CG 1715 ATOM 653 H 2HG . MET A 1715 43 . 26.842 -9.502 -0.584 1.00 20.33 ? ? ? ? ? . 43 MET A 2HG 1715 ATOM 654 H 3HG . MET A 1715 43 . 27.095 -10.454 0.877 1.00 20.51 ? ? ? ? ? . 43 MET A 3HG 1715 ATOM 655 S SD . MET A 1715 43 . 26.787 -11.838 -1.036 1.00 14.22 ? ? ? ? ? . 43 MET A SD 1715 ATOM 656 C CE . MET A 1715 43 . 25.691 -11.512 -2.415 1.00 1.11 ? ? ? ? ? . 43 MET A CE 1715 ATOM 657 H 1HE . MET A 1715 43 . 25.860 -10.509 -2.780 1.00 35.54 ? ? ? ? ? . 43 MET A 1HE 1715 ATOM 658 H 2HE . MET A 1715 43 . 25.888 -12.221 -3.206 1.00 12.44 ? ? ? ? ? . 43 MET A 2HE 1715 ATOM 659 H 3HE . MET A 1715 43 . 24.665 -11.609 -2.090 1.00 63.40 ? ? ? ? ? . 43 MET A 3HE 1715 ATOM 660 C C . MET A 1715 43 . 24.981 -11.671 2.356 1.00 70.21 ? ? ? ? ? . 43 MET A C 1715 ATOM 661 O O . MET A 1715 43 . 24.068 -12.492 2.269 1.00 41.11 ? ? ? ? ? . 43 MET A O 1715 ATOM 662 N N . ALA A 1715 44 . 26.168 -11.962 2.879 1.00 14.43 ? ? ? ? ? . 44 ALA A N 1715 ATOM 663 H H . ALA A 1715 44 . 26.855 -11.265 2.921 1.00 50.30 ? ? ? ? ? . 44 ALA A H 1715 ATOM 664 C CA . ALA A 1715 44 . 26.470 -13.291 3.395 1.00 45.03 ? ? ? ? ? . 44 ALA A CA 1715 ATOM 665 H HA . ALA A 1715 44 . 26.396 -13.992 2.575 1.00 11.44 ? ? ? ? ? . 44 ALA A HA 1715 ATOM 666 C CB . ALA A 1715 44 . 27.894 -13.338 3.929 1.00 65.24 ? ? ? ? ? . 44 ALA A CB 1715 ATOM 667 H 1HB . ALA A 1715 44 . 28.215 -12.339 4.186 1.00 14.02 ? ? ? ? ? . 44 ALA A 1HB 1715 ATOM 668 H 2HB . ALA A 1715 44 . 27.929 -13.965 4.807 1.00 72.42 ? ? ? ? ? . 44 ALA A 2HB 1715 ATOM 669 H 3HB . ALA A 1715 44 . 28.549 -13.742 3.171 1.00 23.21 ? ? ? ? ? . 44 ALA A 3HB 1715 ATOM 670 C C . ALA A 1715 44 . 25.482 -13.696 4.483 1.00 71.33 ? ? ? ? ? . 44 ALA A C 1715 ATOM 671 O O . ALA A 1715 44 . 25.181 -14.877 4.651 1.00 72.40 ? ? ? ? ? . 44 ALA A O 1715 ATOM 672 N N . GLU A 1715 45 . 24.981 -12.709 5.219 1.00 42.12 ? ? ? ? ? . 45 GLU A N 1715 ATOM 673 H H . GLU A 1715 45 . 25.260 -11.787 5.036 1.00 20.43 ? ? ? ? ? . 45 GLU A H 1715 ATOM 674 C CA . GLU A 1715 45 . 24.028 -12.965 6.292 1.00 54.22 ? ? ? ? ? . 45 GLU A CA 1715 ATOM 675 H HA . GLU A 1715 45 . 24.185 -13.973 6.642 1.00 25.53 ? ? ? ? ? . 45 GLU A HA 1715 ATOM 676 C CB . GLU A 1715 45 . 24.258 -11.994 7.452 1.00 44.14 ? ? ? ? ? . 45 GLU A CB 1715 ATOM 677 H 2HB . GLU A 1715 45 . 23.454 -12.105 8.164 1.00 22.00 ? ? ? ? ? . 45 GLU A 2HB 1715 ATOM 678 H 3HB . GLU A 1715 45 . 25.192 -12.245 7.934 1.00 15.43 ? ? ? ? ? . 45 GLU A 3HB 1715 ATOM 679 C CG . GLU A 1715 45 . 24.320 -10.537 7.023 1.00 33.41 ? ? ? ? ? . 45 GLU A CG 1715 ATOM 680 H 2HG . GLU A 1715 45 . 25.123 -10.418 6.312 1.00 5.03 ? ? ? ? ? . 45 GLU A 2HG 1715 ATOM 681 H 3HG . GLU A 1715 45 . 23.383 -10.274 6.554 1.00 43.24 ? ? ? ? ? . 45 GLU A 3HG 1715 ATOM 682 C CD . GLU A 1715 45 . 24.560 -9.596 8.188 1.00 70.34 ? ? ? ? ? . 45 GLU A CD 1715 ATOM 683 O OE1 . GLU A 1715 45 . 24.104 -8.436 8.115 1.00 1.25 ? ? ? ? ? . 45 GLU A OE1 1715 ATOM 684 O OE2 . GLU A 1715 45 . 25.204 -10.020 9.170 1.00 13.42 ? ? ? ? ? . 45 GLU A OE2 1715 ATOM 685 C C . GLU A 1715 45 . 22.593 -12.839 5.786 1.00 2.24 ? ? ? ? ? . 45 GLU A C 1715 ATOM 686 O O . GLU A 1715 45 . 21.694 -13.536 6.258 1.00 4.12 ? ? ? ? ? . 45 GLU A O 1715 ATOM 687 N N . ILE A 1715 46 . 22.387 -11.945 4.825 1.00 3.01 ? ? ? ? ? . 46 ILE A N 1715 ATOM 688 H H . ILE A 1715 46 . 23.144 -11.420 4.491 1.00 53.15 ? ? ? ? ? . 46 ILE A H 1715 ATOM 689 C CA . ILE A 1715 46 . 21.063 -11.728 4.255 1.00 4.24 ? ? ? ? ? . 46 ILE A CA 1715 ATOM 690 H HA . ILE A 1715 46 . 20.366 -11.602 5.071 1.00 4.35 ? ? ? ? ? . 46 ILE A HA 1715 ATOM 691 C CB . ILE A 1715 46 . 21.026 -10.457 3.386 1.00 63.45 ? ? ? ? ? . 46 ILE A CB 1715 ATOM 692 H HB . ILE A 1715 46 . 21.785 -10.548 2.623 1.00 12.32 ? ? ? ? ? . 46 ILE A HB 1715 ATOM 693 C CG2 . ILE A 1715 46 . 19.676 -10.326 2.697 1.00 30.20 ? ? ? ? ? . 46 ILE A CG2 1715 ATOM 694 H 1HG2 . ILE A 1715 46 . 19.652 -9.411 2.124 1.00 14.11 ? ? ? ? ? . 46 ILE A 1HG2 1715 ATOM 695 H 2HG2 . ILE A 1715 46 . 19.526 -11.167 2.037 1.00 70.03 ? ? ? ? ? . 46 ILE A 2HG2 1715 ATOM 696 H 3HG2 . ILE A 1715 46 . 18.893 -10.307 3.440 1.00 40.11 ? ? ? ? ? . 46 ILE A 3HG2 1715 ATOM 697 C CG1 . ILE A 1715 46 . 21.318 -9.221 4.238 1.00 42.32 ? ? ? ? ? . 46 ILE A CG1 1715 ATOM 698 H 2HG1 . ILE A 1715 46 . 20.485 -9.042 4.899 1.00 41.10 ? ? ? ? ? . 46 ILE A 2HG1 1715 ATOM 699 H 3HG1 . ILE A 1715 46 . 22.207 -9.400 4.826 1.00 50.44 ? ? ? ? ? . 46 ILE A 3HG1 1715 ATOM 700 C CD1 . ILE A 1715 46 . 21.543 -7.965 3.424 1.00 31.42 ? ? ? ? ? . 46 ILE A CD1 1715 ATOM 701 H 1HD1 . ILE A 1715 46 . 21.579 -7.110 4.083 1.00 31.40 ? ? ? ? ? . 46 ILE A 1HD1 1715 ATOM 702 H 2HD1 . ILE A 1715 46 . 22.475 -8.046 2.886 1.00 24.44 ? ? ? ? ? . 46 ILE A 2HD1 1715 ATOM 703 H 3HD1 . ILE A 1715 46 . 20.732 -7.843 2.721 1.00 54.42 ? ? ? ? ? . 46 ILE A 3HD1 1715 ATOM 704 C C . ILE A 1715 46 . 20.625 -12.921 3.412 1.00 2.55 ? ? ? ? ? . 46 ILE A C 1715 ATOM 705 O O . ILE A 1715 46 . 19.456 -13.302 3.420 1.00 72.51 ? ? ? ? ? . 46 ILE A O 1715 ATOM 706 N N . ASP A 1715 47 . 21.573 -13.506 2.688 1.00 50.04 ? ? ? ? ? . 47 ASP A N 1715 ATOM 707 H H . ASP A 1715 47 . 22.487 -13.156 2.723 1.00 5.42 ? ? ? ? ? . 47 ASP A H 1715 ATOM 708 C CA . ASP A 1715 47 . 21.285 -14.657 1.840 1.00 62.14 ? ? ? ? ? . 47 ASP A CA 1715 ATOM 709 H HA . ASP A 1715 47 . 20.576 -14.346 1.088 1.00 54.20 ? ? ? ? ? . 47 ASP A HA 1715 ATOM 710 C CB . ASP A 1715 47 . 22.562 -15.140 1.149 1.00 41.12 ? ? ? ? ? . 47 ASP A CB 1715 ATOM 711 H 2HB . ASP A 1715 47 . 23.355 -14.431 1.336 1.00 44.44 ? ? ? ? ? . 47 ASP A 2HB 1715 ATOM 712 H 3HB . ASP A 1715 47 . 22.842 -16.101 1.553 1.00 72.24 ? ? ? ? ? . 47 ASP A 3HB 1715 ATOM 713 C CG . ASP A 1715 47 . 22.429 -15.159 -0.360 1.00 65.14 ? ? ? ? ? . 47 ASP A CG 1715 ATOM 714 O OD2 . ASP A 1715 47 . 23.252 -14.584 -1.074 1.00 12.32 ? ? ? ? ? . 47 ASP A OD2 1715 ATOM 715 O OD1 . ASP A 1715 47 . 21.391 -15.822 -0.856 1.00 50.43 ? ? ? ? ? . 47 ASP A OD1 1715 ATOM 717 C C . ASP A 1715 47 . 20.674 -15.793 2.654 1.00 75.22 ? ? ? ? ? . 47 ASP A C 1715 ATOM 718 O O . ASP A 1715 47 . 21.349 -16.421 3.470 1.00 33.02 ? ? ? ? ? . 47 ASP A O 1715 ATOM 719 N N . THR A 1715 48 . 19.390 -16.053 2.426 1.00 72.13 ? ? ? ? ? . 48 THR A N 1715 ATOM 720 H H . THR A 1715 48 . 18.905 -15.518 1.763 1.00 44.01 ? ? ? ? ? . 48 THR A H 1715 ATOM 721 C CA . THR A 1715 48 . 18.686 -17.113 3.138 1.00 43.55 ? ? ? ? ? . 48 THR A CA 1715 ATOM 722 H HA . THR A 1715 48 . 18.922 -17.022 4.188 1.00 31.00 ? ? ? ? ? . 48 THR A HA 1715 ATOM 723 C CB . THR A 1715 48 . 17.160 -16.984 2.971 1.00 3.34 ? ? ? ? ? . 48 THR A CB 1715 ATOM 724 H HB . THR A 1715 48 . 16.920 -17.063 1.921 1.00 51.03 ? ? ? ? ? . 48 THR A HB 1715 ATOM 725 O OG1 . THR A 1715 48 . 16.721 -15.710 3.456 1.00 34.13 ? ? ? ? ? . 48 THR A OG1 1715 ATOM 726 H HG1 . THR A 1715 48 . 17.260 -15.450 4.207 1.00 42.54 ? ? ? ? ? . 48 THR A HG1 1715 ATOM 727 C CG2 . THR A 1715 48 . 16.439 -18.094 3.720 1.00 12.13 ? ? ? ? ? . 48 THR A CG2 1715 ATOM 728 H 1HG2 . THR A 1715 48 . 17.079 -18.476 4.501 1.00 20.54 ? ? ? ? ? . 48 THR A 1HG2 1715 ATOM 729 H 2HG2 . THR A 1715 48 . 16.193 -18.890 3.034 1.00 73.22 ? ? ? ? ? . 48 THR A 2HG2 1715 ATOM 730 H 3HG2 . THR A 1715 48 . 15.533 -17.702 4.158 1.00 72.53 ? ? ? ? ? . 48 THR A 3HG2 1715 ATOM 731 C C . THR A 1715 48 . 19.125 -18.488 2.649 1.00 32.30 ? ? ? ? ? . 48 THR A C 1715 ATOM 732 O O . THR A 1715 48 . 19.047 -19.473 3.385 1.00 41.54 ? ? ? ? ? . 48 THR A O 1715 ATOM 733 N N . ASP A 1715 49 . 19.586 -18.550 1.405 1.00 41.32 ? ? ? ? ? . 49 ASP A N 1715 ATOM 734 H H . ASP A 1715 49 . 19.623 -17.730 0.868 1.00 65.31 ? ? ? ? ? . 49 ASP A H 1715 ATOM 735 C CA . ASP A 1715 49 . 20.039 -19.806 0.818 1.00 2.34 ? ? ? ? ? . 49 ASP A CA 1715 ATOM 736 H HA . ASP A 1715 49 . 19.837 -20.595 1.527 1.00 11.40 ? ? ? ? ? . 49 ASP A HA 1715 ATOM 737 C CB . ASP A 1715 49 . 19.277 -20.093 -0.476 1.00 60.11 ? ? ? ? ? . 49 ASP A CB 1715 ATOM 738 H 2HB . ASP A 1715 49 . 19.946 -20.561 -1.184 1.00 0.21 ? ? ? ? ? . 49 ASP A 2HB 1715 ATOM 739 H 3HB . ASP A 1715 49 . 18.459 -20.765 -0.263 1.00 15.33 ? ? ? ? ? . 49 ASP A 3HB 1715 ATOM 740 C CG . ASP A 1715 49 . 18.714 -18.835 -1.108 1.00 64.22 ? ? ? ? ? . 49 ASP A CG 1715 ATOM 741 O OD1 . ASP A 1715 49 . 19.281 -18.376 -2.123 1.00 34.25 ? ? ? ? ? . 49 ASP A OD1 1715 ATOM 742 O OD2 . ASP A 1715 49 . 17.707 -18.310 -0.589 1.00 65.31 ? ? ? ? ? . 49 ASP A OD2 1715 ATOM 743 C C . ASP A 1715 49 . 21.539 -19.767 0.542 1.00 10.34 ? ? ? ? ? . 49 ASP A C 1715 ATOM 744 O O . ASP A 1715 49 . 22.160 -20.797 0.285 1.00 40.14 ? ? ? ? ? . 49 ASP A O 1715 ATOM 745 N N . GLY A 1715 50 . 22.115 -18.570 0.597 1.00 10.53 ? ? ? ? ? . 50 GLY A N 1715 ATOM 746 H H . GLY A 1715 50 . 21.570 -17.783 0.808 1.00 52.54 ? ? ? ? ? . 50 GLY A H 1715 ATOM 747 C CA . GLY A 1715 50 . 23.537 -18.418 0.350 1.00 71.42 ? ? ? ? ? . 50 GLY A CA 1715 ATOM 748 H 2HA . GLY A 1715 50 . 23.781 -17.367 0.349 1.00 4.45 ? ? ? ? ? . 50 GLY A 2HA 1715 ATOM 749 H 3HA . GLY A 1715 50 . 24.083 -18.904 1.145 1.00 33.33 ? ? ? ? ? . 50 GLY A 3HA 1715 ATOM 750 C C . GLY A 1715 50 . 23.962 -19.022 -0.974 1.00 43.31 ? ? ? ? ? . 50 GLY A C 1715 ATOM 751 O O . GLY A 1715 50 . 24.509 -20.124 -1.014 1.00 45.14 ? ? ? ? ? . 50 GLY A O 1715 ATOM 752 N N . ASP A 1715 51 . 23.709 -18.299 -2.060 1.00 24.51 ? ? ? ? ? . 51 ASP A N 1715 ATOM 753 H H . ASP A 1715 51 . 23.271 -17.428 -1.963 1.00 33.20 ? ? ? ? ? . 51 ASP A H 1715 ATOM 754 C CA . ASP A 1715 51 . 24.069 -18.770 -3.392 1.00 64.44 ? ? ? ? ? . 51 ASP A CA 1715 ATOM 755 H HA . ASP A 1715 51 . 24.668 -19.662 -3.279 1.00 12.43 ? ? ? ? ? . 51 ASP A HA 1715 ATOM 756 C CB . ASP A 1715 51 . 22.812 -19.115 -4.192 1.00 12.31 ? ? ? ? ? . 51 ASP A CB 1715 ATOM 757 H 2HB . ASP A 1715 51 . 23.064 -19.837 -4.954 1.00 64.34 ? ? ? ? ? . 51 ASP A 2HB 1715 ATOM 758 H 3HB . ASP A 1715 51 . 22.076 -19.542 -3.527 1.00 0.24 ? ? ? ? ? . 51 ASP A 3HB 1715 ATOM 759 C CG . ASP A 1715 51 . 22.203 -17.900 -4.866 1.00 25.55 ? ? ? ? ? . 51 ASP A CG 1715 ATOM 760 O OD1 . ASP A 1715 51 . 21.435 -17.175 -4.200 1.00 1.12 ? ? ? ? ? . 51 ASP A OD1 1715 ATOM 761 O OD2 . ASP A 1715 51 . 22.496 -17.675 -6.058 1.00 64.22 ? ? ? ? ? . 51 ASP A OD2 1715 ATOM 762 C C . ASP A 1715 51 . 24.889 -17.721 -4.137 1.00 12.34 ? ? ? ? ? . 51 ASP A C 1715 ATOM 763 O O . ASP A 1715 51 . 25.050 -17.793 -5.354 1.00 54.32 ? ? ? ? ? . 51 ASP A O 1715 ATOM 764 N N . GLY A 1715 52 . 25.404 -16.745 -3.395 1.00 44.54 ? ? ? ? ? . 52 GLY A N 1715 ATOM 765 H H . GLY A 1715 52 . 25.243 -16.738 -2.429 1.00 22.24 ? ? ? ? ? . 52 GLY A H 1715 ATOM 766 C CA . GLY A 1715 52 . 26.200 -15.693 -4.002 1.00 73.34 ? ? ? ? ? . 52 GLY A CA 1715 ATOM 767 H 2HA . GLY A 1715 52 . 26.889 -15.308 -3.266 1.00 50.31 ? ? ? ? ? . 52 GLY A 2HA 1715 ATOM 768 H 3HA . GLY A 1715 52 . 26.763 -16.112 -4.823 1.00 72.34 ? ? ? ? ? . 52 GLY A 3HA 1715 ATOM 769 C C . GLY A 1715 52 . 25.350 -14.552 -4.525 1.00 1.23 ? ? ? ? ? . 52 GLY A C 1715 ATOM 770 O O . GLY A 1715 52 . 25.860 -13.631 -5.164 1.00 75.22 ? ? ? ? ? . 52 GLY A O 1715 ATOM 771 N N . PHE A 1715 53 . 24.050 -14.612 -4.254 1.00 4.51 ? ? ? ? ? . 53 PHE A N 1715 ATOM 772 H H . PHE A 1715 53 . 23.704 -15.371 -3.740 1.00 13.12 ? ? ? ? ? . 53 PHE A H 1715 ATOM 773 C CA . PHE A 1715 53 . 23.127 -13.576 -4.704 1.00 4.15 ? ? ? ? ? . 53 PHE A CA 1715 ATOM 774 H HA . PHE A 1715 53 . 23.682 -12.654 -4.790 1.00 74.12 ? ? ? ? ? . 53 PHE A HA 1715 ATOM 775 C CB . PHE A 1715 53 . 22.547 -13.939 -6.072 1.00 22.21 ? ? ? ? ? . 53 PHE A CB 1715 ATOM 776 H 2HB . PHE A 1715 53 . 22.169 -14.950 -6.038 1.00 0.22 ? ? ? ? ? . 53 PHE A 2HB 1715 ATOM 777 H 3HB . PHE A 1715 53 . 21.737 -13.264 -6.302 1.00 43.41 ? ? ? ? ? . 53 PHE A 3HB 1715 ATOM 778 C CG . PHE A 1715 53 . 23.549 -13.860 -7.188 1.00 40.51 ? ? ? ? ? . 53 PHE A CG 1715 ATOM 779 C CD1 . PHE A 1715 53 . 23.715 -12.686 -7.906 1.00 14.12 ? ? ? ? ? . 53 PHE A CD1 1715 ATOM 780 H HD1 . PHE A 1715 53 . 23.114 -11.822 -7.655 1.00 64.32 ? ? ? ? ? . 53 PHE A HD1 1715 ATOM 781 C CE1 . PHE A 1715 53 . 24.636 -12.609 -8.933 1.00 72.13 ? ? ? ? ? . 53 PHE A CE1 1715 ATOM 782 H HE1 . PHE A 1715 53 . 24.754 -11.688 -9.485 1.00 21.21 ? ? ? ? ? . 53 PHE A HE1 1715 ATOM 783 C CZ . PHE A 1715 53 . 25.403 -13.712 -9.255 1.00 13.24 ? ? ? ? ? . 53 PHE A CZ 1715 ATOM 784 H HZ . PHE A 1715 53 . 26.123 -13.654 -10.056 1.00 45.25 ? ? ? ? ? . 53 PHE A HZ 1715 ATOM 785 C CE2 . PHE A 1715 53 . 25.248 -14.887 -8.546 1.00 71.53 ? ? ? ? ? . 53 PHE A CE2 1715 ATOM 786 H HE2 . PHE A 1715 53 . 25.846 -15.751 -8.796 1.00 21.12 ? ? ? ? ? . 53 PHE A HE2 1715 ATOM 787 C CD2 . PHE A 1715 53 . 24.325 -14.959 -7.520 1.00 52.52 ? ? ? ? ? . 53 PHE A CD2 1715 ATOM 788 H HD2 . PHE A 1715 53 . 24.204 -15.879 -6.968 1.00 42.00 ? ? ? ? ? . 53 PHE A HD2 1715 ATOM 789 C C . PHE A 1715 53 . 21.999 -13.379 -3.696 1.00 14.31 ? ? ? ? ? . 53 PHE A C 1715 ATOM 790 O O . PHE A 1715 53 . 21.571 -14.325 -3.034 1.00 72.13 ? ? ? ? ? . 53 PHE A O 1715 ATOM 791 N N . ILE A 1715 54 . 21.522 -12.144 -3.585 1.00 52.51 ? ? ? ? ? . 54 ILE A N 1715 ATOM 792 H H . ILE A 1715 54 . 21.904 -11.432 -4.139 1.00 51.15 ? ? ? ? ? . 54 ILE A H 1715 ATOM 793 C CA . ILE A 1715 54 . 20.443 -11.822 -2.659 1.00 51.12 ? ? ? ? ? . 54 ILE A CA 1715 ATOM 794 H HA . ILE A 1715 54 . 20.353 -12.638 -1.956 1.00 50.24 ? ? ? ? ? . 54 ILE A HA 1715 ATOM 795 C CB . ILE A 1715 54 . 20.743 -10.534 -1.871 1.00 1.44 ? ? ? ? ? . 54 ILE A CB 1715 ATOM 796 H HB . ILE A 1715 54 . 20.990 -9.755 -2.576 1.00 73.23 ? ? ? ? ? . 54 ILE A HB 1715 ATOM 797 C CG2 . ILE A 1715 54 . 19.515 -10.093 -1.089 1.00 54.40 ? ? ? ? ? . 54 ILE A CG2 1715 ATOM 798 H 1HG2 . ILE A 1715 54 . 19.801 -9.845 -0.077 1.00 62.35 ? ? ? ? ? . 54 ILE A 1HG2 1715 ATOM 799 H 2HG2 . ILE A 1715 54 . 19.081 -9.224 -1.562 1.00 35.25 ? ? ? ? ? . 54 ILE A 2HG2 1715 ATOM 800 H 3HG2 . ILE A 1715 54 . 18.791 -10.894 -1.073 1.00 1.43 ? ? ? ? ? . 54 ILE A 3HG2 1715 ATOM 801 C CG1 . ILE A 1715 54 . 21.930 -10.750 -0.930 1.00 21.42 ? ? ? ? ? . 54 ILE A CG1 1715 ATOM 802 H 2HG1 . ILE A 1715 54 . 22.789 -11.052 -1.508 1.00 4.41 ? ? ? ? ? . 54 ILE A 2HG1 1715 ATOM 803 H 3HG1 . ILE A 1715 54 . 22.151 -9.823 -0.421 1.00 53.02 ? ? ? ? ? . 54 ILE A 3HG1 1715 ATOM 804 C CD1 . ILE A 1715 54 . 21.683 -11.810 0.121 1.00 72.32 ? ? ? ? ? . 54 ILE A CD1 1715 ATOM 805 H 1HD1 . ILE A 1715 54 . 20.674 -11.717 0.496 1.00 23.31 ? ? ? ? ? . 54 ILE A 1HD1 1715 ATOM 806 H 2HD1 . ILE A 1715 54 . 21.817 -12.789 -0.315 1.00 41.53 ? ? ? ? ? . 54 ILE A 2HD1 1715 ATOM 807 H 3HD1 . ILE A 1715 54 . 22.382 -11.680 0.935 1.00 71.24 ? ? ? ? ? . 54 ILE A 3HD1 1715 ATOM 808 C C . ILE A 1715 54 . 19.118 -11.657 -3.395 1.00 53.13 ? ? ? ? ? . 54 ILE A C 1715 ATOM 809 O O . ILE A 1715 54 . 18.887 -10.647 -4.060 1.00 14.42 ? ? ? ? ? . 54 ILE A O 1715 ATOM 810 N N . ASP A 1715 55 . 18.250 -12.655 -3.271 1.00 10.01 ? ? ? ? ? . 55 ASP A N 1715 ATOM 811 H H . ASP A 1715 55 . 18.492 -13.434 -2.727 1.00 62.03 ? ? ? ? ? . 55 ASP A H 1715 ATOM 812 C CA . ASP A 1715 55 . 16.946 -12.620 -3.922 1.00 15.31 ? ? ? ? ? . 55 ASP A CA 1715 ATOM 813 H HA . ASP A 1715 55 . 17.104 -12.428 -4.972 1.00 42.33 ? ? ? ? ? . 55 ASP A HA 1715 ATOM 814 C CB . ASP A 1715 55 . 16.237 -13.966 -3.764 1.00 54.15 ? ? ? ? ? . 55 ASP A CB 1715 ATOM 815 H 2HB . ASP A 1715 55 . 15.899 -14.070 -2.744 1.00 31.44 ? ? ? ? ? . 55 ASP A 2HB 1715 ATOM 816 H 3HB . ASP A 1715 55 . 15.384 -13.996 -4.426 1.00 53.34 ? ? ? ? ? . 55 ASP A 3HB 1715 ATOM 817 C CG . ASP A 1715 55 . 17.141 -15.138 -4.092 1.00 74.02 ? ? ? ? ? . 55 ASP A CG 1715 ATOM 818 O OD1 . ASP A 1715 55 . 16.875 -16.251 -3.591 1.00 53.13 ? ? ? ? ? . 55 ASP A OD1 1715 ATOM 819 O OD2 . ASP A 1715 55 . 18.113 -14.943 -4.850 1.00 43.33 ? ? ? ? ? . 55 ASP A OD2 1715 ATOM 820 C C . ASP A 1715 55 . 16.080 -11.504 -3.344 1.00 71.34 ? ? ? ? ? . 55 ASP A C 1715 ATOM 821 O O . ASP A 1715 55 . 16.550 -10.685 -2.555 1.00 20.14 ? ? ? ? ? . 55 ASP A O 1715 ATOM 822 N N . PHE A 1715 56 . 14.813 -11.478 -3.744 1.00 71.24 ? ? ? ? ? . 56 PHE A N 1715 ATOM 823 H H . PHE A 1715 56 . 14.497 -12.159 -4.376 1.00 12.54 ? ? ? ? ? . 56 PHE A H 1715 ATOM 824 C CA . PHE A 1715 56 . 13.882 -10.462 -3.268 1.00 74.03 ? ? ? ? ? . 56 PHE A CA 1715 ATOM 825 H HA . PHE A 1715 56 . 14.428 -9.538 -3.159 1.00 22.24 ? ? ? ? ? . 56 PHE A HA 1715 ATOM 826 C CB . PHE A 1715 56 . 12.755 -10.257 -4.283 1.00 32.11 ? ? ? ? ? . 56 PHE A CB 1715 ATOM 827 H 2HB . PHE A 1715 56 . 13.177 -10.214 -5.275 1.00 42.24 ? ? ? ? ? . 56 PHE A 2HB 1715 ATOM 828 H 3HB . PHE A 1715 56 . 12.071 -11.090 -4.223 1.00 73.01 ? ? ? ? ? . 56 PHE A 3HB 1715 ATOM 829 C CG . PHE A 1715 56 . 11.970 -8.996 -4.061 1.00 1.23 ? ? ? ? ? . 56 PHE A CG 1715 ATOM 830 C CD1 . PHE A 1715 56 . 11.169 -8.851 -2.940 1.00 35.21 ? ? ? ? ? . 56 PHE A CD1 1715 ATOM 831 H HD1 . PHE A 1715 56 . 11.111 -9.657 -2.222 1.00 24.15 ? ? ? ? ? . 56 PHE A HD1 1715 ATOM 832 C CE1 . PHE A 1715 56 . 10.445 -7.692 -2.732 1.00 44.31 ? ? ? ? ? . 56 PHE A CE1 1715 ATOM 833 H HE1 . PHE A 1715 56 . 9.824 -7.593 -1.854 1.00 40.45 ? ? ? ? ? . 56 PHE A HE1 1715 ATOM 834 C CZ . PHE A 1715 56 . 10.517 -6.662 -3.649 1.00 43.43 ? ? ? ? ? . 56 PHE A CZ 1715 ATOM 835 H HZ . PHE A 1715 56 . 9.954 -5.755 -3.489 1.00 12.34 ? ? ? ? ? . 56 PHE A HZ 1715 ATOM 836 C CE2 . PHE A 1715 56 . 11.313 -6.793 -4.770 1.00 44.14 ? ? ? ? ? . 56 PHE A CE2 1715 ATOM 837 H HE2 . PHE A 1715 56 . 11.371 -5.989 -5.489 1.00 60.11 ? ? ? ? ? . 56 PHE A HE2 1715 ATOM 838 C CD2 . PHE A 1715 56 . 12.034 -7.955 -4.973 1.00 12.20 ? ? ? ? ? . 56 PHE A CD2 1715 ATOM 839 H HD2 . PHE A 1715 56 . 12.655 -8.056 -5.851 1.00 30.33 ? ? ? ? ? . 56 PHE A HD2 1715 ATOM 840 C C . PHE A 1715 56 . 13.297 -10.852 -1.914 1.00 10.12 ? ? ? ? ? . 56 PHE A C 1715 ATOM 841 O O . PHE A 1715 56 . 13.091 -10.003 -1.048 1.00 32.25 ? ? ? ? ? . 56 PHE A O 1715 ATOM 842 N N . ASN A 1715 57 . 13.032 -12.143 -1.740 1.00 13.40 ? ? ? ? ? . 57 ASN A N 1715 ATOM 843 H H . ASN A 1715 57 . 13.218 -12.772 -2.468 1.00 50.41 ? ? ? ? ? . 57 ASN A H 1715 ATOM 844 C CA . ASN A 1715 57 . 12.470 -12.646 -0.492 1.00 34.01 ? ? ? ? ? . 57 ASN A CA 1715 ATOM 845 H HA . ASN A 1715 57 . 11.545 -12.120 -0.309 1.00 52.01 ? ? ? ? ? . 57 ASN A HA 1715 ATOM 846 C CB . ASN A 1715 57 . 12.176 -14.143 -0.608 1.00 20.11 ? ? ? ? ? . 57 ASN A CB 1715 ATOM 847 H 2HB . ASN A 1715 57 . 12.718 -14.546 -1.451 1.00 52.34 ? ? ? ? ? . 57 ASN A 2HB 1715 ATOM 848 H 3HB . ASN A 1715 57 . 12.502 -14.639 0.294 1.00 71.10 ? ? ? ? ? . 57 ASN A 3HB 1715 ATOM 849 C CG . ASN A 1715 57 . 10.700 -14.429 -0.807 1.00 61.11 ? ? ? ? ? . 57 ASN A CG 1715 ATOM 850 O OD1 . ASN A 1715 57 . 10.048 -15.014 0.058 1.00 75.05 ? ? ? ? ? . 57 ASN A OD1 1715 ATOM 851 N ND2 . ASN A 1715 57 . 10.167 -14.017 -1.951 1.00 51.33 ? ? ? ? ? . 57 ASN A ND2 1715 ATOM 852 H 1HD2 . ASN A 1715 57 . 10.747 -13.557 -2.594 1.00 23.51 ? ? ? ? ? . 57 ASN A 1HD2 1715 ATOM 853 H 2HD2 . ASN A 1715 57 . 9.215 -14.188 -2.106 1.00 15.01 ? ? ? ? ? . 57 ASN A 2HD2 1715 ATOM 854 C C . ASN A 1715 57 . 13.420 -12.392 0.674 1.00 12.43 ? ? ? ? ? . 57 ASN A C 1715 ATOM 855 O O . ASN A 1715 57 . 13.106 -11.628 1.587 1.00 24.53 ? ? ? ? ? . 57 ASN A O 1715 ATOM 856 N N . GLU A 1715 58 . 14.582 -13.036 0.635 1.00 32.14 ? ? ? ? ? . 58 GLU A N 1715 ATOM 857 H H . GLU A 1715 58 . 14.774 -13.631 -0.119 1.00 72.12 ? ? ? ? ? . 58 GLU A H 1715 ATOM 858 C CA . GLU A 1715 58 . 15.577 -12.879 1.689 1.00 22.33 ? ? ? ? ? . 58 GLU A CA 1715 ATOM 859 H HA . GLU A 1715 58 . 15.172 -13.307 2.594 1.00 3.41 ? ? ? ? ? . 58 GLU A HA 1715 ATOM 860 C CB . GLU A 1715 58 . 16.863 -13.622 1.321 1.00 24.13 ? ? ? ? ? . 58 GLU A CB 1715 ATOM 861 H 2HB . GLU A 1715 58 . 17.638 -13.344 2.021 1.00 60.51 ? ? ? ? ? . 58 GLU A 2HB 1715 ATOM 862 H 3HB . GLU A 1715 58 . 16.685 -14.685 1.399 1.00 44.53 ? ? ? ? ? . 58 GLU A 3HB 1715 ATOM 863 C CG . GLU A 1715 58 . 17.358 -13.323 -0.084 1.00 4.33 ? ? ? ? ? . 58 GLU A CG 1715 ATOM 864 H 2HG . GLU A 1715 58 . 16.508 -13.101 -0.712 1.00 24.05 ? ? ? ? ? . 58 GLU A 2HG 1715 ATOM 865 H 3HG . GLU A 1715 58 . 18.011 -12.463 -0.046 1.00 53.32 ? ? ? ? ? . 58 GLU A 3HG 1715 ATOM 866 C CD . GLU A 1715 58 . 18.121 -14.483 -0.693 1.00 75.33 ? ? ? ? ? . 58 GLU A CD 1715 ATOM 867 O OE1 . GLU A 1715 58 . 19.355 -14.367 -0.846 1.00 13.02 ? ? ? ? ? . 58 GLU A OE1 1715 ATOM 868 O OE2 . GLU A 1715 58 . 17.484 -15.507 -1.018 1.00 54.11 ? ? ? ? ? . 58 GLU A OE2 1715 ATOM 869 C C . GLU A 1715 58 . 15.881 -11.404 1.935 1.00 24.34 ? ? ? ? ? . 58 GLU A C 1715 ATOM 870 O O . GLU A 1715 58 . 16.192 -11.002 3.057 1.00 44.35 ? ? ? ? ? . 58 GLU A O 1715 ATOM 871 N N . PHE A 1715 59 . 15.790 -10.603 0.879 1.00 32.20 ? ? ? ? ? . 59 PHE A N 1715 ATOM 872 H H . PHE A 1715 59 . 15.537 -10.983 0.011 1.00 23.43 ? ? ? ? ? . 59 PHE A H 1715 ATOM 873 C CA . PHE A 1715 59 . 16.056 -9.173 0.979 1.00 64.02 ? ? ? ? ? . 59 PHE A CA 1715 ATOM 874 H HA . PHE A 1715 59 . 17.102 -9.047 1.215 1.00 34.31 ? ? ? ? ? . 59 PHE A HA 1715 ATOM 875 C CB . PHE A 1715 59 . 15.760 -8.483 -0.355 1.00 23.35 ? ? ? ? ? . 59 PHE A CB 1715 ATOM 876 H 2HB . PHE A 1715 59 . 16.106 -9.112 -1.161 1.00 41.34 ? ? ? ? ? . 59 PHE A 2HB 1715 ATOM 877 H 3HB . PHE A 1715 59 . 14.695 -8.339 -0.448 1.00 14.44 ? ? ? ? ? . 59 PHE A 3HB 1715 ATOM 878 C CG . PHE A 1715 59 . 16.424 -7.144 -0.497 1.00 3.42 ? ? ? ? ? . 59 PHE A CG 1715 ATOM 879 C CD1 . PHE A 1715 59 . 17.802 -7.025 -0.406 1.00 33.11 ? ? ? ? ? . 59 PHE A CD1 1715 ATOM 880 H HD1 . PHE A 1715 59 . 18.399 -7.909 -0.231 1.00 44.11 ? ? ? ? ? . 59 PHE A HD1 1715 ATOM 881 C CE1 . PHE A 1715 59 . 18.416 -5.794 -0.537 1.00 0.22 ? ? ? ? ? . 59 PHE A CE1 1715 ATOM 882 H HE1 . PHE A 1715 59 . 19.491 -5.716 -0.463 1.00 54.21 ? ? ? ? ? . 59 PHE A HE1 1715 ATOM 883 C CZ . PHE A 1715 59 . 17.654 -4.664 -0.760 1.00 34.03 ? ? ? ? ? . 59 PHE A CZ 1715 ATOM 884 H HZ . PHE A 1715 59 . 18.131 -3.701 -0.863 1.00 25.31 ? ? ? ? ? . 59 PHE A HZ 1715 ATOM 885 C CE2 . PHE A 1715 59 . 16.280 -4.769 -0.853 1.00 55.22 ? ? ? ? ? . 59 PHE A CE2 1715 ATOM 886 H HE2 . PHE A 1715 59 . 15.681 -3.887 -1.027 1.00 42.11 ? ? ? ? ? . 59 PHE A HE2 1715 ATOM 887 C CD2 . PHE A 1715 59 . 15.671 -6.003 -0.721 1.00 52.50 ? ? ? ? ? . 59 PHE A CD2 1715 ATOM 888 H HD2 . PHE A 1715 59 . 14.596 -6.082 -0.793 1.00 61.53 ? ? ? ? ? . 59 PHE A HD2 1715 ATOM 889 C C . PHE A 1715 59 . 15.221 -8.540 2.088 1.00 23.21 ? ? ? ? ? . 59 PHE A C 1715 ATOM 890 O O . PHE A 1715 59 . 15.711 -7.704 2.848 1.00 61.11 ? ? ? ? ? . 59 PHE A O 1715 ATOM 891 N N . ILE A 1715 60 . 13.959 -8.945 2.174 1.00 54.31 ? ? ? ? ? . 60 ILE A N 1715 ATOM 892 H H . ILE A 1715 60 . 13.627 -9.614 1.540 1.00 52.44 ? ? ? ? ? . 60 ILE A H 1715 ATOM 893 C CA . ILE A 1715 60 . 13.056 -8.418 3.190 1.00 73.32 ? ? ? ? ? . 60 ILE A CA 1715 ATOM 894 H HA . ILE A 1715 60 . 13.293 -7.374 3.337 1.00 32.44 ? ? ? ? ? . 60 ILE A HA 1715 ATOM 895 C CB . ILE A 1715 60 . 11.585 -8.523 2.745 1.00 60.13 ? ? ? ? ? . 60 ILE A CB 1715 ATOM 896 H HB . ILE A 1715 60 . 11.244 -9.529 2.938 1.00 3.45 ? ? ? ? ? . 60 ILE A HB 1715 ATOM 897 C CG2 . ILE A 1715 60 . 10.719 -7.566 3.550 1.00 55.04 ? ? ? ? ? . 60 ILE A CG2 1715 ATOM 898 H 1HG2 . ILE A 1715 60 . 10.950 -7.668 4.600 1.00 50.53 ? ? ? ? ? . 60 ILE A 1HG2 1715 ATOM 899 H 2HG2 . ILE A 1715 60 . 10.915 -6.552 3.235 1.00 22.11 ? ? ? ? ? . 60 ILE A 2HG2 1715 ATOM 900 H 3HG2 . ILE A 1715 60 . 9.677 -7.799 3.386 1.00 1.42 ? ? ? ? ? . 60 ILE A 3HG2 1715 ATOM 901 C CG1 . ILE A 1715 60 . 11.461 -8.232 1.248 1.00 74.33 ? ? ? ? ? . 60 ILE A CG1 1715 ATOM 902 H 2HG1 . ILE A 1715 60 . 11.867 -7.255 1.042 1.00 4.21 ? ? ? ? ? . 60 ILE A 2HG1 1715 ATOM 903 H 3HG1 . ILE A 1715 60 . 12.021 -8.974 0.697 1.00 71.01 ? ? ? ? ? . 60 ILE A 3HG1 1715 ATOM 904 C CD1 . ILE A 1715 60 . 10.034 -8.257 0.744 1.00 45.01 ? ? ? ? ? . 60 ILE A CD1 1715 ATOM 905 H 1HD1 . ILE A 1715 60 . 9.373 -8.544 1.548 1.00 40.01 ? ? ? ? ? . 60 ILE A 1HD1 1715 ATOM 906 H 2HD1 . ILE A 1715 60 . 9.762 -7.276 0.385 1.00 71.23 ? ? ? ? ? . 60 ILE A 2HD1 1715 ATOM 907 H 3HD1 . ILE A 1715 60 . 9.950 -8.972 -0.063 1.00 2.55 ? ? ? ? ? . 60 ILE A 3HD1 1715 ATOM 908 C C . ILE A 1715 60 . 13.228 -9.155 4.514 1.00 62.03 ? ? ? ? ? . 60 ILE A C 1715 ATOM 909 O O . ILE A 1715 60 . 13.023 -8.584 5.585 1.00 62.21 ? ? ? ? ? . 60 ILE A O 1715 ATOM 910 N N . SER A 1715 61 . 13.608 -10.426 4.432 1.00 20.21 ? ? ? ? ? . 61 SER A N 1715 ATOM 911 H H . SER A 1715 61 . 13.756 -10.825 3.549 1.00 53.11 ? ? ? ? ? . 61 SER A H 1715 ATOM 912 C CA . SER A 1715 61 . 13.807 -11.243 5.624 1.00 53.41 ? ? ? ? ? . 61 SER A CA 1715 ATOM 913 H HA . SER A 1715 61 . 12.848 -11.366 6.105 1.00 73.23 ? ? ? ? ? . 61 SER A HA 1715 ATOM 914 C CB . SER A 1715 61 . 14.352 -12.619 5.240 1.00 63.33 ? ? ? ? ? . 61 SER A CB 1715 ATOM 915 H 2HB . SER A 1715 61 . 13.590 -13.171 4.710 1.00 2.24 ? ? ? ? ? . 61 SER A 2HB 1715 ATOM 916 H 3HB . SER A 1715 61 . 15.216 -12.496 4.602 1.00 11.03 ? ? ? ? ? . 61 SER A 3HB 1715 ATOM 917 O OG . SER A 1715 61 . 14.734 -13.356 6.389 1.00 52.42 ? ? ? ? ? . 61 SER A OG 1715 ATOM 918 H HG . SER A 1715 61 . 14.224 -13.056 7.145 1.00 30.11 ? ? ? ? ? . 61 SER A HG 1715 ATOM 919 C C . SER A 1715 61 . 14.761 -10.559 6.598 1.00 0.41 ? ? ? ? ? . 61 SER A C 1715 ATOM 920 O O . SER A 1715 61 . 14.493 -10.482 7.797 1.00 20.34 ? ? ? ? ? . 61 SER A O 1715 ATOM 921 N N . PHE A 1715 62 . 15.877 -10.062 6.073 1.00 34.35 ? ? ? ? ? . 62 PHE A N 1715 ATOM 922 H H . PHE A 1715 62 . 16.034 -10.154 5.110 1.00 30.42 ? ? ? ? ? . 62 PHE A H 1715 ATOM 923 C CA . PHE A 1715 62 . 16.873 -9.385 6.896 1.00 74.14 ? ? ? ? ? . 62 PHE A CA 1715 ATOM 924 H HA . PHE A 1715 62 . 16.860 -9.842 7.873 1.00 1.42 ? ? ? ? ? . 62 PHE A HA 1715 ATOM 925 C CB . PHE A 1715 62 . 18.266 -9.551 6.286 1.00 42.01 ? ? ? ? ? . 62 PHE A CB 1715 ATOM 926 H 2HB . PHE A 1715 62 . 18.191 -10.154 5.393 1.00 4.43 ? ? ? ? ? . 62 PHE A 2HB 1715 ATOM 927 H 3HB . PHE A 1715 62 . 18.656 -8.578 6.027 1.00 31.12 ? ? ? ? ? . 62 PHE A 3HB 1715 ATOM 928 C CG . PHE A 1715 62 . 19.249 -10.214 7.208 1.00 10.23 ? ? ? ? ? . 62 PHE A CG 1715 ATOM 929 C CD1 . PHE A 1715 62 . 19.036 -11.508 7.655 1.00 62.14 ? ? ? ? ? . 62 PHE A CD1 1715 ATOM 930 H HD1 . PHE A 1715 62 . 18.153 -12.041 7.332 1.00 33.43 ? ? ? ? ? . 62 PHE A HD1 1715 ATOM 931 C CE1 . PHE A 1715 62 . 19.939 -12.121 8.503 1.00 32.22 ? ? ? ? ? . 62 PHE A CE1 1715 ATOM 932 H HE1 . PHE A 1715 62 . 19.760 -13.130 8.844 1.00 61.31 ? ? ? ? ? . 62 PHE A HE1 1715 ATOM 933 C CZ . PHE A 1715 62 . 21.068 -11.441 8.916 1.00 55.21 ? ? ? ? ? . 62 PHE A CZ 1715 ATOM 934 H HZ . PHE A 1715 62 . 21.774 -11.918 9.578 1.00 22.01 ? ? ? ? ? . 62 PHE A HZ 1715 ATOM 935 C CE2 . PHE A 1715 62 . 21.292 -10.150 8.477 1.00 33.34 ? ? ? ? ? . 62 PHE A CE2 1715 ATOM 936 H HE2 . PHE A 1715 62 . 22.173 -9.616 8.799 1.00 64.11 ? ? ? ? ? . 62 PHE A HE2 1715 ATOM 937 C CD2 . PHE A 1715 62 . 20.385 -9.542 7.629 1.00 25.34 ? ? ? ? ? . 62 PHE A CD2 1715 ATOM 938 H HD2 . PHE A 1715 62 . 20.562 -8.533 7.288 1.00 12.34 ? ? ? ? ? . 62 PHE A HD2 1715 ATOM 939 C C . PHE A 1715 62 . 16.542 -7.903 7.040 1.00 14.42 ? ? ? ? ? . 62 PHE A C 1715 ATOM 940 O O . PHE A 1715 62 . 16.541 -7.361 8.146 1.00 11.23 ? ? ? ? ? . 62 PHE A O 1715 ATOM 941 N N . CYS A 1715 63 . 16.262 -7.253 5.916 1.00 54.00 ? ? ? ? ? . 63 CYS A N 1715 ATOM 942 H H . CYS A 1715 63 . 16.278 -7.739 5.065 1.00 23.22 ? ? ? ? ? . 63 CYS A H 1715 ATOM 943 C CA . CYS A 1715 63 . 15.930 -5.832 5.916 1.00 21.50 ? ? ? ? ? . 63 CYS A CA 1715 ATOM 944 H HA . CYS A 1715 63 . 16.822 -5.285 6.182 1.00 74.03 ? ? ? ? ? . 63 CYS A HA 1715 ATOM 945 C CB . CYS A 1715 63 . 15.473 -5.394 4.524 1.00 33.20 ? ? ? ? ? . 63 CYS A CB 1715 ATOM 946 H 2HB . CYS A 1715 63 . 16.316 -5.423 3.850 1.00 25.13 ? ? ? ? ? . 63 CYS A 2HB 1715 ATOM 947 H 3HB . CYS A 1715 63 . 14.715 -6.078 4.171 1.00 41.23 ? ? ? ? ? . 63 CYS A 3HB 1715 ATOM 948 S SG . CYS A 1715 63 . 14.781 -3.725 4.466 1.00 42.51 ? ? ? ? ? . 63 CYS A SG 1715 ATOM 949 H HG . CYS A 1715 63 . 15.729 -2.905 4.036 1.00 15.23 ? ? ? ? ? . 63 CYS A HG 1715 ATOM 950 C C . CYS A 1715 63 . 14.843 -5.528 6.941 1.00 12.13 ? ? ? ? ? . 63 CYS A C 1715 ATOM 951 O O . CYS A 1715 63 . 14.870 -4.489 7.600 1.00 62.14 ? ? ? ? ? . 63 CYS A O 1715 ATOM 952 N N . ASN A 1715 64 . 13.885 -6.441 7.070 1.00 43.35 ? ? ? ? ? . 64 ASN A N 1715 ATOM 953 H H . ASN A 1715 64 . 13.918 -7.249 6.516 1.00 32.14 ? ? ? ? ? . 64 ASN A H 1715 ATOM 954 C CA . ASN A 1715 64 . 12.787 -6.269 8.013 1.00 13.32 ? ? ? ? ? . 64 ASN A CA 1715 ATOM 955 H HA . ASN A 1715 64 . 12.224 -5.398 7.711 1.00 32.42 ? ? ? ? ? . 64 ASN A HA 1715 ATOM 956 C CB . ASN A 1715 64 . 11.867 -7.491 7.985 1.00 14.22 ? ? ? ? ? . 64 ASN A CB 1715 ATOM 957 H 2HB . ASN A 1715 64 . 11.474 -7.615 6.986 1.00 22.43 ? ? ? ? ? . 64 ASN A 2HB 1715 ATOM 958 H 3HB . ASN A 1715 64 . 12.434 -8.368 8.257 1.00 62.14 ? ? ? ? ? . 64 ASN A 3HB 1715 ATOM 959 C CG . ASN A 1715 64 . 10.699 -7.358 8.944 1.00 4.12 ? ? ? ? ? . 64 ASN A CG 1715 ATOM 960 O OD1 . ASN A 1715 64 . 10.372 -8.293 9.674 1.00 32.42 ? ? ? ? ? . 64 ASN A OD1 1715 ATOM 961 N ND2 . ASN A 1715 64 . 10.065 -6.191 8.946 1.00 24.01 ? ? ? ? ? . 64 ASN A ND2 1715 ATOM 962 H 1HD2 . ASN A 1715 64 . 10.382 -5.491 8.337 1.00 14.13 ? ? ? ? ? . 64 ASN A 1HD2 1715 ATOM 963 H 2HD2 . ASN A 1715 64 . 9.307 -6.078 9.557 1.00 45.42 ? ? ? ? ? . 64 ASN A 2HD2 1715 ATOM 964 C C . ASN A 1715 64 . 13.314 -6.048 9.428 1.00 41.44 ? ? ? ? ? . 64 ASN A C 1715 ATOM 965 O O . ASN A 1715 64 . 12.723 -5.307 10.213 1.00 51.03 ? ? ? ? ? . 64 ASN A O 1715 ATOM 966 N N . ALA A 1715 65 . 14.431 -6.695 9.745 1.00 54.02 ? ? ? ? ? . 65 ALA A N 1715 ATOM 967 H H . ALA A 1715 65 . 14.856 -7.271 9.076 1.00 55.01 ? ? ? ? ? . 65 ALA A H 1715 ATOM 968 C CA . ALA A 1715 65 . 15.039 -6.567 11.063 1.00 24.30 ? ? ? ? ? . 65 ALA A CA 1715 ATOM 969 H HA . ALA A 1715 65 . 14.270 -6.732 11.804 1.00 53.55 ? ? ? ? ? . 65 ALA A HA 1715 ATOM 970 C CB . ALA A 1715 65 . 16.113 -7.629 11.254 1.00 54.22 ? ? ? ? ? . 65 ALA A CB 1715 ATOM 971 H 1HB . ALA A 1715 65 . 16.242 -8.178 10.332 1.00 4.23 ? ? ? ? ? . 65 ALA A 1HB 1715 ATOM 972 H 2HB . ALA A 1715 65 . 17.044 -7.154 11.525 1.00 72.22 ? ? ? ? ? . 65 ALA A 2HB 1715 ATOM 973 H 3HB . ALA A 1715 65 . 15.812 -8.307 12.038 1.00 20.20 ? ? ? ? ? . 65 ALA A 3HB 1715 ATOM 974 C C . ALA A 1715 65 . 15.628 -5.175 11.263 1.00 2.12 ? ? ? ? ? . 65 ALA A C 1715 ATOM 975 O O . ALA A 1715 65 . 15.891 -4.758 12.390 1.00 24.44 ? ? ? ? ? . 65 ALA A O 1715 ATOM 976 N N . ASN A 1715 66 . 15.833 -4.460 10.162 1.00 61.14 ? ? ? ? ? . 66 ASN A N 1715 ATOM 977 H H . ASN A 1715 66 . 15.603 -4.847 9.291 1.00 42.41 ? ? ? ? ? . 66 ASN A H 1715 ATOM 978 C CA . ASN A 1715 66 . 16.393 -3.114 10.217 1.00 75.42 ? ? ? ? ? . 66 ASN A CA 1715 ATOM 979 H HA . ASN A 1715 66 . 16.703 -2.926 11.233 1.00 21.14 ? ? ? ? ? . 66 ASN A HA 1715 ATOM 980 C CB . ASN A 1715 66 . 17.610 -3.008 9.297 1.00 43.34 ? ? ? ? ? . 66 ASN A CB 1715 ATOM 981 H 2HB . ASN A 1715 66 . 17.373 -3.455 8.342 1.00 20.13 ? ? ? ? ? . 66 ASN A 2HB 1715 ATOM 982 H 3HB . ASN A 1715 66 . 17.854 -1.966 9.151 1.00 62.22 ? ? ? ? ? . 66 ASN A 3HB 1715 ATOM 983 C CG . ASN A 1715 66 . 18.828 -3.711 9.865 1.00 73.32 ? ? ? ? ? . 66 ASN A CG 1715 ATOM 984 O OD1 . ASN A 1715 66 . 19.886 -3.106 10.033 1.00 2.32 ? ? ? ? ? . 66 ASN A OD1 1715 ATOM 985 N ND2 . ASN A 1715 66 . 18.682 -4.997 10.163 1.00 21.12 ? ? ? ? ? . 66 ASN A ND2 1715 ATOM 986 H 1HD2 . ASN A 1715 66 . 17.810 -5.414 10.002 1.00 32.23 ? ? ? ? ? . 66 ASN A 1HD2 1715 ATOM 987 H 2HD2 . ASN A 1715 66 . 19.453 -5.476 10.533 1.00 70.23 ? ? ? ? ? . 66 ASN A 2HD2 1715 ATOM 988 C C . ASN A 1715 66 . 15.349 -2.075 9.820 1.00 12.20 ? ? ? ? ? . 66 ASN A C 1715 ATOM 989 O O . ASN A 1715 66 . 15.322 -1.586 8.690 1.00 15.14 ? ? ? ? ? . 66 ASN A O 1715 ATOM 990 N N . PRO A 1715 67 . 14.469 -1.727 10.771 1.00 73.33 ? ? ? ? ? . 67 PRO A N 1715 ATOM 991 C CD . PRO A 1715 67 . 14.442 -2.270 12.139 1.00 1.45 ? ? ? ? ? . 67 PRO A CD 1715 ATOM 992 C CA . PRO A 1715 67 . 13.407 -0.742 10.545 1.00 44.42 ? ? ? ? ? . 67 PRO A CA 1715 ATOM 993 H HA . PRO A 1715 67 . 12.813 -0.990 9.678 1.00 71.42 ? ? ? ? ? . 67 PRO A HA 1715 ATOM 994 C CB . PRO A 1715 67 . 12.546 -0.852 11.805 1.00 23.35 ? ? ? ? ? . 67 PRO A CB 1715 ATOM 995 H 2HB . PRO A 1715 67 . 12.158 0.122 12.066 1.00 41.41 ? ? ? ? ? . 67 PRO A 2HB 1715 ATOM 996 H 3HB . PRO A 1715 67 . 11.730 -1.536 11.629 1.00 14.12 ? ? ? ? ? . 67 PRO A 3HB 1715 ATOM 997 C CG . PRO A 1715 67 . 13.472 -1.369 12.852 1.00 0.54 ? ? ? ? ? . 67 PRO A CG 1715 ATOM 998 H 2HG . PRO A 1715 67 . 13.995 -0.547 13.317 1.00 24.03 ? ? ? ? ? . 67 PRO A 2HG 1715 ATOM 999 H 3HG . PRO A 1715 67 . 12.916 -1.927 13.591 1.00 53.13 ? ? ? ? ? . 67 PRO A 3HG 1715 ATOM 1000 H 2HD . PRO A 1715 67 . 15.419 -2.210 12.597 1.00 54.01 ? ? ? ? ? . 67 PRO A 2HD 1715 ATOM 1001 H 3HD . PRO A 1715 67 . 14.083 -3.288 12.143 1.00 63.31 ? ? ? ? ? . 67 PRO A 3HD 1715 ATOM 1002 C C . PRO A 1715 67 . 13.953 0.674 10.395 1.00 5.22 ? ? ? ? ? . 67 PRO A C 1715 ATOM 1003 O O . PRO A 1715 67 . 13.314 1.536 9.794 1.00 0.31 ? ? ? ? ? . 67 PRO A O 1715 ATOM 1004 N N . GLY A 1715 68 . 15.141 0.907 10.946 1.00 1.01 ? ? ? ? ? . 68 GLY A N 1715 ATOM 1005 H H . GLY A 1715 68 . 15.605 0.181 11.413 1.00 3.13 ? ? ? ? ? . 68 GLY A H 1715 ATOM 1006 C CA . GLY A 1715 68 . 15.753 2.220 10.862 1.00 1.23 ? ? ? ? ? . 68 GLY A CA 1715 ATOM 1007 H 2HA . GLY A 1715 68 . 14.990 2.971 11.007 1.00 24.31 ? ? ? ? ? . 68 GLY A 2HA 1715 ATOM 1008 H 3HA . GLY A 1715 68 . 16.489 2.313 11.648 1.00 73.41 ? ? ? ? ? . 68 GLY A 3HA 1715 ATOM 1009 C C . GLY A 1715 68 . 16.431 2.460 9.528 1.00 73.13 ? ? ? ? ? . 68 GLY A C 1715 ATOM 1010 O O . GLY A 1715 68 . 16.692 3.604 9.152 1.00 72.40 ? ? ? ? ? . 68 GLY A O 1715 ATOM 1011 N N . LEU A 1715 69 . 16.718 1.380 8.810 1.00 62.13 ? ? ? ? ? . 69 LEU A N 1715 ATOM 1012 H H . LEU A 1715 69 . 16.486 0.496 9.161 1.00 30.43 ? ? ? ? ? . 69 LEU A H 1715 ATOM 1013 C CA . LEU A 1715 69 . 17.372 1.478 7.509 1.00 32.51 ? ? ? ? ? . 69 LEU A CA 1715 ATOM 1014 H HA . LEU A 1715 69 . 17.970 2.377 7.505 1.00 34.35 ? ? ? ? ? . 69 LEU A HA 1715 ATOM 1015 C CB . LEU A 1715 69 . 18.285 0.271 7.283 1.00 14.01 ? ? ? ? ? . 69 LEU A CB 1715 ATOM 1016 H 2HB . LEU A 1715 69 . 18.959 0.205 8.123 1.00 60.01 ? ? ? ? ? . 69 LEU A 2HB 1715 ATOM 1017 H 3HB . LEU A 1715 69 . 17.662 -0.612 7.253 1.00 64.21 ? ? ? ? ? . 69 LEU A 3HB 1715 ATOM 1018 C CG . LEU A 1715 69 . 19.127 0.296 6.007 1.00 13.21 ? ? ? ? ? . 69 LEU A CG 1715 ATOM 1019 H HG . LEU A 1715 69 . 19.549 1.284 5.881 1.00 33.22 ? ? ? ? ? . 69 LEU A HG 1715 ATOM 1020 C CD1 . LEU A 1715 69 . 20.276 -0.695 6.106 1.00 32.13 ? ? ? ? ? . 69 LEU A CD1 1715 ATOM 1021 H 1HD1 . LEU A 1715 69 . 20.058 -1.423 6.873 1.00 1.23 ? ? ? ? ? . 69 LEU A 1HD1 1715 ATOM 1022 H 2HD1 . LEU A 1715 69 . 21.185 -0.169 6.357 1.00 53.40 ? ? ? ? ? . 69 LEU A 2HD1 1715 ATOM 1023 H 3HD1 . LEU A 1715 69 . 20.401 -1.197 5.158 1.00 51.01 ? ? ? ? ? . 69 LEU A 3HD1 1715 ATOM 1024 C CD2 . LEU A 1715 69 . 18.262 -0.006 4.792 1.00 65.23 ? ? ? ? ? . 69 LEU A CD2 1715 ATOM 1025 H 1HD2 . LEU A 1715 69 . 18.075 0.908 4.247 1.00 23.34 ? ? ? ? ? . 69 LEU A 1HD2 1715 ATOM 1026 H 2HD2 . LEU A 1715 69 . 17.323 -0.431 5.115 1.00 62.32 ? ? ? ? ? . 69 LEU A 2HD2 1715 ATOM 1027 H 3HD2 . LEU A 1715 69 . 18.775 -0.708 4.151 1.00 20.53 ? ? ? ? ? . 69 LEU A 3HD2 1715 ATOM 1028 C C . LEU A 1715 69 . 16.342 1.567 6.388 1.00 51.55 ? ? ? ? ? . 69 LEU A C 1715 ATOM 1029 O O . LEU A 1715 69 . 16.425 2.441 5.524 1.00 34.34 ? ? ? ? ? . 69 LEU A O 1715 ATOM 1030 N N . MET A 1715 70 . 15.371 0.660 6.408 1.00 1.14 ? ? ? ? ? . 70 MET A N 1715 ATOM 1031 H H . MET A 1715 70 . 15.358 -0.011 7.122 1.00 23.34 ? ? ? ? ? . 70 MET A H 1715 ATOM 1032 C CA . MET A 1715 70 . 14.323 0.640 5.395 1.00 72.41 ? ? ? ? ? . 70 MET A CA 1715 ATOM 1033 H HA . MET A 1715 70 . 14.780 0.383 4.451 1.00 51.30 ? ? ? ? ? . 70 MET A HA 1715 ATOM 1034 C CB . MET A 1715 70 . 13.270 -0.416 5.740 1.00 2.44 ? ? ? ? ? . 70 MET A CB 1715 ATOM 1035 H 2HB . MET A 1715 70 . 12.459 -0.343 5.032 1.00 72.12 ? ? ? ? ? . 70 MET A 2HB 1715 ATOM 1036 H 3HB . MET A 1715 70 . 13.719 -1.394 5.663 1.00 64.44 ? ? ? ? ? . 70 MET A 3HB 1715 ATOM 1037 C CG . MET A 1715 70 . 12.696 -0.265 7.140 1.00 72.43 ? ? ? ? ? . 70 MET A CG 1715 ATOM 1038 H 2HG . MET A 1715 70 . 13.456 -0.536 7.858 1.00 53.32 ? ? ? ? ? . 70 MET A 2HG 1715 ATOM 1039 H 3HG . MET A 1715 70 . 12.414 0.766 7.289 1.00 54.32 ? ? ? ? ? . 70 MET A 3HG 1715 ATOM 1040 S SD . MET A 1715 70 . 11.249 -1.307 7.412 1.00 1.50 ? ? ? ? ? . 70 MET A SD 1715 ATOM 1041 C CE . MET A 1715 70 . 11.902 -2.915 6.972 1.00 71.23 ? ? ? ? ? . 70 MET A CE 1715 ATOM 1042 H 1HE . MET A 1715 70 . 12.397 -3.350 7.827 1.00 2.54 ? ? ? ? ? . 70 MET A 1HE 1715 ATOM 1043 H 2HE . MET A 1715 70 . 11.093 -3.558 6.659 1.00 33.41 ? ? ? ? ? . 70 MET A 2HE 1715 ATOM 1044 H 3HE . MET A 1715 70 . 12.610 -2.807 6.163 1.00 53.14 ? ? ? ? ? . 70 MET A 3HE 1715 ATOM 1045 C C . MET A 1715 70 . 13.664 2.009 5.267 1.00 53.23 ? ? ? ? ? . 70 MET A C 1715 ATOM 1046 O O . MET A 1715 70 . 13.104 2.345 4.223 1.00 40.22 ? ? ? ? ? . 70 MET A O 1715 ATOM 1047 N N . LYS A 1715 71 . 13.733 2.797 6.335 1.00 61.43 ? ? ? ? ? . 71 LYS A N 1715 ATOM 1048 H H . LYS A 1715 71 . 14.193 2.473 7.138 1.00 31.41 ? ? ? ? ? . 71 LYS A H 1715 ATOM 1049 C CA . LYS A 1715 71 . 13.144 4.130 6.342 1.00 3.42 ? ? ? ? ? . 71 LYS A CA 1715 ATOM 1050 H HA . LYS A 1715 71 . 12.211 4.084 5.803 1.00 74.05 ? ? ? ? ? . 71 LYS A HA 1715 ATOM 1051 C CB . LYS A 1715 71 . 12.868 4.580 7.779 1.00 51.34 ? ? ? ? ? . 71 LYS A CB 1715 ATOM 1052 H 2HB . LYS A 1715 71 . 13.735 4.363 8.384 1.00 4.43 ? ? ? ? ? . 71 LYS A 2HB 1715 ATOM 1053 H 3HB . LYS A 1715 71 . 12.695 5.647 7.782 1.00 73.11 ? ? ? ? ? . 71 LYS A 3HB 1715 ATOM 1054 C CG . LYS A 1715 71 . 11.664 3.900 8.408 1.00 44.20 ? ? ? ? ? . 71 LYS A CG 1715 ATOM 1055 H 2HG . LYS A 1715 71 . 10.819 3.998 7.744 1.00 74.13 ? ? ? ? ? . 71 LYS A 2HG 1715 ATOM 1056 H 3HG . LYS A 1715 71 . 11.890 2.853 8.555 1.00 10.51 ? ? ? ? ? . 71 LYS A 3HG 1715 ATOM 1057 C CD . LYS A 1715 71 . 11.310 4.522 9.749 1.00 64.25 ? ? ? ? ? . 71 LYS A CD 1715 ATOM 1058 H 2HD . LYS A 1715 71 . 11.306 5.597 9.647 1.00 32.13 ? ? ? ? ? . 71 LYS A 2HD 1715 ATOM 1059 H 3HD . LYS A 1715 71 . 10.328 4.182 10.045 1.00 51.12 ? ? ? ? ? . 71 LYS A 3HD 1715 ATOM 1060 C CE . LYS A 1715 71 . 12.313 4.134 10.825 1.00 40.43 ? ? ? ? ? . 71 LYS A CE 1715 ATOM 1061 H 2HE . LYS A 1715 71 . 12.114 3.120 11.135 1.00 1.23 ? ? ? ? ? . 71 LYS A 2HE 1715 ATOM 1062 H 3HE . LYS A 1715 71 . 13.308 4.195 10.409 1.00 22.04 ? ? ? ? ? . 71 LYS A 3HE 1715 ATOM 1063 N NZ . LYS A 1715 71 . 12.227 5.030 12.011 1.00 4.40 ? ? ? ? ? . 71 LYS A NZ 1715 ATOM 1064 H 1HZ . LYS A 1715 71 . 12.335 6.023 11.718 1.00 72.55 ? ? ? ? ? . 71 LYS A 1HZ 1715 ATOM 1065 H 2HZ . LYS A 1715 71 . 12.981 4.798 12.689 1.00 15.23 ? ? ? ? ? . 71 LYS A 2HZ 1715 ATOM 1066 H 3HZ . LYS A 1715 71 . 11.306 4.916 12.480 1.00 41.34 ? ? ? ? ? . 71 LYS A 3HZ 1715 ATOM 1067 C C . LYS A 1715 71 . 14.062 5.134 5.652 1.00 41.23 ? ? ? ? ? . 71 LYS A C 1715 ATOM 1068 O O . LYS A 1715 71 . 13.598 6.108 5.059 1.00 50.23 ? ? ? ? ? . 71 LYS A O 1715 ATOM 1069 N N . ASP A 1715 72 . 15.365 4.889 5.732 1.00 43.55 ? ? ? ? ? . 72 ASP A N 1715 ATOM 1070 H H . ASP A 1715 72 . 15.674 4.096 6.218 1.00 12.54 ? ? ? ? ? . 72 ASP A H 1715 ATOM 1071 C CA . ASP A 1715 72 . 16.348 5.771 5.112 1.00 61.22 ? ? ? ? ? . 72 ASP A CA 1715 ATOM 1072 H HA . ASP A 1715 72 . 15.970 6.780 5.167 1.00 54.23 ? ? ? ? ? . 72 ASP A HA 1715 ATOM 1073 C CB . ASP A 1715 72 . 17.677 5.697 5.865 1.00 64.12 ? ? ? ? ? . 72 ASP A CB 1715 ATOM 1074 H 2HB . ASP A 1715 72 . 17.601 4.953 6.645 1.00 41.22 ? ? ? ? ? . 72 ASP A 2HB 1715 ATOM 1075 H 3HB . ASP A 1715 72 . 18.459 5.411 5.176 1.00 55.32 ? ? ? ? ? . 72 ASP A 3HB 1715 ATOM 1076 C CG . ASP A 1715 72 . 18.057 7.020 6.500 1.00 21.02 ? ? ? ? ? . 72 ASP A CG 1715 ATOM 1077 O OD1 . ASP A 1715 72 . 18.196 7.065 7.741 1.00 73.32 ? ? ? ? ? . 72 ASP A OD1 1715 ATOM 1078 O OD2 . ASP A 1715 72 . 18.216 8.011 5.757 1.00 65.50 ? ? ? ? ? . 72 ASP A OD2 1715 ATOM 1079 C C . ASP A 1715 72 . 16.559 5.404 3.646 1.00 53.50 ? ? ? ? ? . 72 ASP A C 1715 ATOM 1080 O O . ASP A 1715 72 . 16.707 6.279 2.792 1.00 64.41 ? ? ? ? ? . 72 ASP A O 1715 ATOM 1081 N N . VAL A 1715 73 . 16.571 4.106 3.362 1.00 41.04 ? ? ? ? ? . 73 VAL A N 1715 ATOM 1082 H H . VAL A 1715 73 . 16.447 3.457 4.085 1.00 2.13 ? ? ? ? ? . 73 VAL A H 1715 ATOM 1083 C CA . VAL A 1715 73 . 16.763 3.624 1.999 1.00 25.42 ? ? ? ? ? . 73 VAL A CA 1715 ATOM 1084 H HA . VAL A 1715 73 . 17.629 4.122 1.587 1.00 10.24 ? ? ? ? ? . 73 VAL A HA 1715 ATOM 1085 C CB . VAL A 1715 73 . 17.022 2.105 1.973 1.00 40.54 ? ? ? ? ? . 73 VAL A CB 1715 ATOM 1086 H HB . VAL A 1715 73 . 17.929 1.906 2.523 1.00 25.52 ? ? ? ? ? . 73 VAL A HB 1715 ATOM 1087 C CG1 . VAL A 1715 73 . 15.882 1.358 2.647 1.00 71.42 ? ? ? ? ? . 73 VAL A CG1 1715 ATOM 1088 H 1HG1 . VAL A 1715 73 . 15.196 0.995 1.895 1.00 20.44 ? ? ? ? ? . 73 VAL A 1HG1 1715 ATOM 1089 H 2HG1 . VAL A 1715 73 . 16.279 0.524 3.207 1.00 62.44 ? ? ? ? ? . 73 VAL A 2HG1 1715 ATOM 1090 H 3HG1 . VAL A 1715 73 . 15.360 2.025 3.317 1.00 41.34 ? ? ? ? ? . 73 VAL A 3HG1 1715 ATOM 1091 C CG2 . VAL A 1715 73 . 17.215 1.623 0.543 1.00 40.32 ? ? ? ? ? . 73 VAL A CG2 1715 ATOM 1092 H 1HG2 . VAL A 1715 73 . 17.351 0.552 0.540 1.00 1.13 ? ? ? ? ? . 73 VAL A 1HG2 1715 ATOM 1093 H 2HG2 . VAL A 1715 73 . 16.344 1.877 -0.044 1.00 32.31 ? ? ? ? ? . 73 VAL A 2HG2 1715 ATOM 1094 H 3HG2 . VAL A 1715 73 . 18.086 2.098 0.117 1.00 51.44 ? ? ? ? ? . 73 VAL A 3HG2 1715 ATOM 1095 C C . VAL A 1715 73 . 15.552 3.937 1.129 1.00 54.00 ? ? ? ? ? . 73 VAL A C 1715 ATOM 1096 O O . VAL A 1715 73 . 15.689 4.264 -0.049 1.00 52.14 ? ? ? ? ? . 73 VAL A O 1715 ATOM 1097 N N . ALA A 1715 74 . 14.365 3.835 1.718 1.00 13.22 ? ? ? ? ? . 74 ALA A N 1715 ATOM 1098 H H . ALA A 1715 74 . 14.320 3.570 2.660 1.00 1.03 ? ? ? ? ? . 74 ALA A H 1715 ATOM 1099 C CA . ALA A 1715 74 . 13.128 4.110 0.998 1.00 50.35 ? ? ? ? ? . 74 ALA A CA 1715 ATOM 1100 H HA . ALA A 1715 74 . 13.203 3.655 0.020 1.00 33.14 ? ? ? ? ? . 74 ALA A HA 1715 ATOM 1101 C CB . ALA A 1715 74 . 11.945 3.484 1.721 1.00 10.32 ? ? ? ? ? . 74 ALA A CB 1715 ATOM 1102 H 1HB . ALA A 1715 74 . 11.633 4.133 2.527 1.00 52.01 ? ? ? ? ? . 74 ALA A 1HB 1715 ATOM 1103 H 2HB . ALA A 1715 74 . 11.128 3.352 1.028 1.00 40.12 ? ? ? ? ? . 74 ALA A 2HB 1715 ATOM 1104 H 3HB . ALA A 1715 74 . 12.236 2.525 2.123 1.00 13.31 ? ? ? ? ? . 74 ALA A 3HB 1715 ATOM 1105 C C . ALA A 1715 74 . 12.913 5.610 0.828 1.00 4.51 ? ? ? ? ? . 74 ALA A C 1715 ATOM 1106 O O . ALA A 1715 74 . 11.882 6.047 0.317 1.00 14.15 ? ? ? ? ? . 74 ALA A O 1715 ATOM 1107 N N . LYS A 1715 75 . 13.894 6.396 1.260 1.00 12.23 ? ? ? ? ? . 75 LYS A N 1715 ATOM 1108 H H . LYS A 1715 75 . 14.692 5.989 1.658 1.00 22.15 ? ? ? ? ? . 75 LYS A H 1715 ATOM 1109 C CA . LYS A 1715 75 . 13.813 7.848 1.156 1.00 5.34 ? ? ? ? ? . 75 LYS A CA 1715 ATOM 1110 H HA . LYS A 1715 75 . 12.770 8.122 1.130 1.00 34.25 ? ? ? ? ? . 75 LYS A HA 1715 ATOM 1111 C CB . LYS A 1715 75 . 14.471 8.504 2.373 1.00 55.40 ? ? ? ? ? . 75 LYS A CB 1715 ATOM 1112 H 2HB . LYS A 1715 75 . 13.899 9.379 2.648 1.00 60.40 ? ? ? ? ? . 75 LYS A 2HB 1715 ATOM 1113 H 3HB . LYS A 1715 75 . 14.458 7.803 3.195 1.00 2.53 ? ? ? ? ? . 75 LYS A 3HB 1715 ATOM 1114 C CG . LYS A 1715 75 . 15.908 8.931 2.132 1.00 63.43 ? ? ? ? ? . 75 LYS A CG 1715 ATOM 1115 H 2HG . LYS A 1715 75 . 16.416 8.156 1.576 1.00 33.14 ? ? ? ? ? . 75 LYS A 2HG 1715 ATOM 1116 H 3HG . LYS A 1715 75 . 15.911 9.847 1.559 1.00 0.32 ? ? ? ? ? . 75 LYS A 3HG 1715 ATOM 1117 C CD . LYS A 1715 75 . 16.648 9.163 3.439 1.00 72.24 ? ? ? ? ? . 75 LYS A CD 1715 ATOM 1118 H 2HD . LYS A 1715 75 . 16.144 8.624 4.228 1.00 45.51 ? ? ? ? ? . 75 LYS A 2HD 1715 ATOM 1119 H 3HD . LYS A 1715 75 . 17.660 8.797 3.339 1.00 30.34 ? ? ? ? ? . 75 LYS A 3HD 1715 ATOM 1120 C CE . LYS A 1715 75 . 16.689 10.640 3.801 1.00 63.52 ? ? ? ? ? . 75 LYS A CE 1715 ATOM 1121 H 2HE . LYS A 1715 75 . 16.635 11.221 2.893 1.00 34.03 ? ? ? ? ? . 75 LYS A 2HE 1715 ATOM 1122 H 3HE . LYS A 1715 75 . 15.839 10.867 4.426 1.00 55.31 ? ? ? ? ? . 75 LYS A 3HE 1715 ATOM 1123 N NZ . LYS A 1715 75 . 17.937 10.997 4.531 1.00 30.31 ? ? ? ? ? . 75 LYS A NZ 1715 ATOM 1124 H 1HZ . LYS A 1715 75 . 18.198 10.233 5.187 1.00 71.41 ? ? ? ? ? . 75 LYS A 1HZ 1715 ATOM 1125 H 2HZ . LYS A 1715 75 . 17.795 11.871 5.075 1.00 14.22 ? ? ? ? ? . 75 LYS A 2HZ 1715 ATOM 1126 H 3HZ . LYS A 1715 75 . 18.716 11.143 3.858 1.00 60.41 ? ? ? ? ? . 75 LYS A 3HZ 1715 ATOM 1127 C C . LYS A 1715 75 . 14.483 8.340 -0.123 1.00 12.10 ? ? ? ? ? . 75 LYS A C 1715 ATOM 1128 O O . LYS A 1715 75 . 14.100 9.370 -0.679 1.00 63.43 ? ? ? ? ? . 75 LYS A O 1715 ATOM 1129 N N . VAL A 1715 76 . 15.483 7.597 -0.586 1.00 21.14 ? ? ? ? ? . 76 VAL A N 1715 ATOM 1130 H H . VAL A 1715 76 . 15.742 6.787 -0.098 1.00 41.31 ? ? ? ? ? . 76 VAL A H 1715 ATOM 1131 C CA . VAL A 1715 76 . 16.204 7.956 -1.801 1.00 53.21 ? ? ? ? ? . 76 VAL A CA 1715 ATOM 1132 H HA . VAL A 1715 76 . 15.685 8.783 -2.265 1.00 22.22 ? ? ? ? ? . 76 VAL A HA 1715 ATOM 1133 C CB . VAL A 1715 76 . 17.644 8.403 -1.488 1.00 41.33 ? ? ? ? ? . 76 VAL A CB 1715 ATOM 1134 H HB . VAL A 1715 76 . 17.602 9.206 -0.767 1.00 54.20 ? ? ? ? ? . 76 VAL A HB 1715 ATOM 1135 C CG1 . VAL A 1715 76 . 18.438 7.258 -0.879 1.00 45.11 ? ? ? ? ? . 76 VAL A CG1 1715 ATOM 1136 H 1HG1 . VAL A 1715 76 . 19.074 6.820 -1.634 1.00 70.55 ? ? ? ? ? . 76 VAL A 1HG1 1715 ATOM 1137 H 2HG1 . VAL A 1715 76 . 19.046 7.632 -0.068 1.00 42.43 ? ? ? ? ? . 76 VAL A 2HG1 1715 ATOM 1138 H 3HG1 . VAL A 1715 76 . 17.758 6.508 -0.503 1.00 11.40 ? ? ? ? ? . 76 VAL A 3HG1 1715 ATOM 1139 C CG2 . VAL A 1715 76 . 18.324 8.926 -2.745 1.00 21.32 ? ? ? ? ? . 76 VAL A CG2 1715 ATOM 1140 H 1HG2 . VAL A 1715 76 . 17.652 8.827 -3.584 1.00 63.44 ? ? ? ? ? . 76 VAL A 1HG2 1715 ATOM 1141 H 2HG2 . VAL A 1715 76 . 18.580 9.967 -2.610 1.00 22.31 ? ? ? ? ? . 76 VAL A 2HG2 1715 ATOM 1142 H 3HG2 . VAL A 1715 76 . 19.222 8.356 -2.932 1.00 71.01 ? ? ? ? ? . 76 VAL A 3HG2 1715 ATOM 1143 C C . VAL A 1715 76 . 16.247 6.788 -2.780 1.00 1.02 ? ? ? ? ? . 76 VAL A C 1715 ATOM 1144 O O . VAL A 1715 76 . 16.229 6.982 -3.996 1.00 24.35 ? ? ? ? ? . 76 VAL A O 1715 ATOM 1145 N N . PHE A 1715 77 . 16.304 5.574 -2.242 1.00 13.33 ? ? ? ? ? . 77 PHE A N 1715 ATOM 1146 H H . PHE A 1715 77 . 16.315 5.484 -1.265 1.00 41.35 ? ? ? ? ? . 77 PHE A H 1715 ATOM 1147 C CA . PHE A 1715 77 . 16.350 4.373 -3.068 1.00 1.35 ? ? ? ? ? . 77 PHE A CA 1715 ATOM 1148 H HA . PHE A 1715 77 . 16.692 4.661 -4.050 1.00 31.42 ? ? ? ? ? . 77 PHE A HA 1715 ATOM 1149 C CB . PHE A 1715 77 . 17.331 3.359 -2.475 1.00 52.13 ? ? ? ? ? . 77 PHE A CB 1715 ATOM 1150 H 2HB . PHE A 1715 77 . 17.380 3.499 -1.406 1.00 44.10 ? ? ? ? ? . 77 PHE A 2HB 1715 ATOM 1151 H 3HB . PHE A 1715 77 . 16.977 2.361 -2.688 1.00 3.42 ? ? ? ? ? . 77 PHE A 3HB 1715 ATOM 1152 C CG . PHE A 1715 77 . 18.724 3.483 -3.022 1.00 4.35 ? ? ? ? ? . 77 PHE A CG 1715 ATOM 1153 C CD1 . PHE A 1715 77 . 19.500 2.356 -3.241 1.00 53.31 ? ? ? ? ? . 77 PHE A CD1 1715 ATOM 1154 H HD1 . PHE A 1715 77 . 19.092 1.381 -3.016 1.00 24.52 ? ? ? ? ? . 77 PHE A HD1 1715 ATOM 1155 C CE1 . PHE A 1715 77 . 20.782 2.467 -3.744 1.00 5.10 ? ? ? ? ? . 77 PHE A CE1 1715 ATOM 1156 H HE1 . PHE A 1715 77 . 21.376 1.580 -3.910 1.00 0.32 ? ? ? ? ? . 77 PHE A HE1 1715 ATOM 1157 C CZ . PHE A 1715 77 . 21.304 3.713 -4.032 1.00 1.01 ? ? ? ? ? . 77 PHE A CZ 1715 ATOM 1158 H HZ . PHE A 1715 77 . 22.306 3.802 -4.425 1.00 74.24 ? ? ? ? ? . 77 PHE A HZ 1715 ATOM 1159 C CE2 . PHE A 1715 77 . 20.541 4.844 -3.818 1.00 41.42 ? ? ? ? ? . 77 PHE A CE2 1715 ATOM 1160 H HE2 . PHE A 1715 77 . 20.947 5.820 -4.042 1.00 73.32 ? ? ? ? ? . 77 PHE A HE2 1715 ATOM 1161 C CD2 . PHE A 1715 77 . 19.259 4.727 -3.315 1.00 3.52 ? ? ? ? ? . 77 PHE A CD2 1715 ATOM 1162 H HD2 . PHE A 1715 77 . 18.664 5.613 -3.147 1.00 44.32 ? ? ? ? ? . 77 PHE A HD2 1715 ATOM 1163 C C . PHE A 1715 77 . 14.965 3.745 -3.192 1.00 40.35 ? ? ? ? ? . 77 PHE A C 1715 ATOM 1164 O O . PHE A 1715 77 . 14.377 3.727 -4.273 1.00 14.01 ? ? ? ? ? . 77 PHE A O 1715 #