data_SASDCX8_MAIN # _sas_result.id 734 _sas_result.SASBDB_code SASDCX8 _sas_result.experimental_MW 26.900 _sas_result.experimental_MW_error . _sas_result.MW_standard 26.900 _sas_result.MW_standard_error 0.020 _sas_result.MW_Porod 27.400 _sas_result.MW_Porod_error . _sas_result.I0_from_PR 0.1040000000 _sas_result.I0_from_PR_error 0.0001200000 _sas_result.I0_from_Guinier 0.1040000000 _sas_result.I0_from_Guinier_error 0.0000810000 _sas_result.Rg_from_PR 2.070 _sas_result.Rg_from_PR_error 0.004 _sas_result.Rg_from_Guinier 2.070 _sas_result.Rg_from_Guinier_error 0.003 _sas_result.D_max 7.59 _sas_result.Porod_volume 46.60 _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 95 _sas_result.type_of_curve single_conc _sas_result.standard . _sas_result.Dmax_error . _sas_result.comments . # _sas_scan.title "Human Rev7 monomer (R124A mutant) in complex with Rev3 peptide @ 6mg/mL" _sas_scan.detc_id 12 _sas_scan.id 734 _sas_scan.measurement_date 2016-05-14 _sas_scan.storage_temperature 4.0 _sas_scan.cell_temperature 4.0 _sas_scan.exposure_time 1.000 _sas_scan.number_of_frames 10 _sas_scan.unit 1/A _sas_scan.qmin 0.0086 _sas_scan.qmax 0.8019 _sas_scan.sample_id 694 _sas_scan.result_id 734 _sas_scan.beam_id 23 # _sas_beam.id 23 _sas_beam.instrument_name "Cornell High Energy Synchrotron Source (CHESS) G1" _sas_beam.instrument_city "Ithaca, NY" _sas_beam.instrument_country USA _sas_beam.shape . _sas_beam.type_of_source "X-ray synchrotron" _sas_beam.radiation_wavelength 0.126700 _sas_beam.dist_spec_to_detc . # _sas_detc.id 12 _sas_detc.name "Finger Lakes CCD" _sas_detc.type CCD _sas_detc.pixsize_x . # _sas_sample.id 694 _sas_sample.name "Human Rev7 monomer (R124A mutant) in complex with Rev3 peptide @ 6mg/mL" _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 6.00 _sas_sample.concentration_method . loop_ _sas_sample.entity_id 854 855 # _sas_buffer.id 425 _sas_buffer.name "20 mM Tris, 150 mM NaCl, 1 mM EDTA, 10 mM DTT, 5% glycerol" _sas_buffer.concentration . _sas_buffer.unit . _sas_buffer.pK . _sas_buffer.pH 8.400 _sas_buffer.comment . _sas_buffer.composition . _sas_buffer.sample_id 694 # loop_ _entity.id _entity.type _entity.pdbx_description _entity.formula_weight _entity.pdbx_number_of_molecules 854 protein "Mitotic spindle assembly checkpoint protein MAD2B" 24.306 1 855 protein "DNA polymerase zeta catalytic subunit" 3.273 1 # loop_ _entity_name_com.entity_id _entity_name_com.name 854 hRev7-R124A 855 Rev3-RBM2 # loop_ _entity_poly.entity_id _entity_poly.pdbx_seq_one_letter_code 854 ;GMTTLTRQDLNFGQVVADVLCEFLEVAVHLILYVREVYPVGIFQKRKKYNVPVQMSCHPEL NQYIQDTLHCVKPLLEKNDVEKVVVVILDKEHRPVEKFVFEITQPPLLSISSDSLLSHVE QLLAAFILKISVCDAVLDHNPPGCTFTVLVHTREAATRNMEKIQVIKDFPWILADEQDVH MHDPRLIPLKTMTSDILKMQLYVEERAHKGS ; 855 "MEDK KIVIMPCKCA PSRQLVQVWL QAKE" # loop_ _entity_src_gen.entity_id _entity_src_gen.gene_src_common_name 854 "Homo sapiens" 855 "Homo sapiens" # loop_ _struct_ref.id _struct_ref.entity_id _struct_ref.db_name _struct_ref.db_code _struct_ref.details 1 854 UniProt Q9UI95 http://www.uniprot.org/uniprot/Q9UI95 2 855 UniProt O60673 http://www.uniprot.org/uniprot/O60673 # _citation.id 454 _citation.title "Rev7 dimerization is important for assembly and function of the Rev1/PolĪ¶ translesion synthesis complex." _citation.year "2018 Aug 28" _citation.pdbx_database_id_DOI 10.1073/pnas.1801149115 _citation.pdbx_database_id_PubMed 30111544 _citation.journal_abbrev "Proc Natl Acad Sci U S A" _citation.journal_volume 115 _citation.journal_issue 35 # loop_ _citation_author.citation_id _citation_author.ordinal _citation_author.name 454 1 "Rizzo AA" 454 2 "Vassel FM" 454 3 "Chatterjee N" 454 4 "D'Souza S" 454 5 "Li Y" 454 6 "Hao B" 454 7 "Hemann MT" 454 8 "Walker GC" # _pdbx_contact_author.id 196 _pdbx_contact_author.name_first Alex _pdbx_contact_author.name_last Rizzo _pdbx_contact_author.role . _pdbx_contact_author.address_1 . _pdbx_contact_author.address_2 "University of Connecticut" _pdbx_contact_author.address_3 "Storrs, CT, 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 8.592058E-03 1.036176E-01 3.750650E-03 734 2 9.164860E-03 1.037236E-01 1.401275E-03 734 3 9.737662E-03 1.041652E-01 1.204933E-03 734 4 1.031046E-02 1.035011E-01 1.019566E-03 734 5 1.088327E-02 1.026219E-01 9.210405E-04 734 6 1.145607E-02 1.029968E-01 8.324650E-04 734 7 1.202887E-02 1.025756E-01 8.017627E-04 734 8 1.260167E-02 1.016788E-01 7.389994E-04 734 9 1.317447E-02 1.003818E-01 7.028610E-04 734 10 1.374727E-02 1.010249E-01 6.688795E-04 734 11 1.432007E-02 1.001001E-01 6.445460E-04 734 12 1.489287E-02 1.008356E-01 6.430047E-04 734 13 1.546567E-02 9.952424E-02 5.914947E-04 734 14 1.603846E-02 1.002652E-01 5.886922E-04 734 15 1.661126E-02 1.004689E-01 5.843215E-04 734 16 1.718406E-02 9.981305E-02 5.645849E-04 734 17 1.775685E-02 9.907762E-02 5.600826E-04 734 18 1.832965E-02 9.869527E-02 5.316031E-04 734 19 1.890245E-02 9.869013E-02 5.100064E-04 734 20 1.947524E-02 9.895937E-02 4.974497E-04 734 21 2.004803E-02 9.820818E-02 4.840860E-04 734 22 2.062083E-02 9.694374E-02 4.779685E-04 734 23 2.119362E-02 9.668292E-02 4.658854E-04 734 24 2.176641E-02 9.707749E-02 4.643053E-04 734 25 2.233921E-02 9.703334E-02 4.518619E-04 734 26 2.291200E-02 9.610682E-02 4.466350E-04 734 27 2.348479E-02 9.600936E-02 4.392604E-04 734 28 2.405758E-02 9.506635E-02 4.082622E-04 734 29 2.463037E-02 9.544449E-02 4.000531E-04 734 30 2.520315E-02 9.505610E-02 3.864575E-04 734 31 2.577594E-02 9.488927E-02 3.629676E-04 734 32 2.634873E-02 9.400046E-02 3.478089E-04 734 33 2.692151E-02 9.350972E-02 3.380949E-04 734 34 2.749430E-02 9.332601E-02 3.316905E-04 734 35 2.806708E-02 9.277541E-02 3.241294E-04 734 36 2.863987E-02 9.193580E-02 3.154285E-04 734 37 2.921265E-02 9.184339E-02 3.117500E-04 734 38 2.978543E-02 9.108548E-02 2.966165E-04 734 39 3.035821E-02 9.091604E-02 2.981609E-04 734 40 3.093099E-02 9.026286E-02 2.919554E-04 734 41 3.150377E-02 8.954310E-02 2.992308E-04 734 42 3.207655E-02 8.949858E-02 2.971980E-04 734 43 3.264933E-02 8.903889E-02 2.898927E-04 734 44 3.322210E-02 8.860483E-02 2.838184E-04 734 45 3.379488E-02 8.837382E-02 2.880964E-04 734 46 3.436765E-02 8.757605E-02 2.857364E-04 734 47 3.494042E-02 8.726920E-02 2.817659E-04 734 48 3.551320E-02 8.652767E-02 2.792773E-04 734 49 3.608597E-02 8.589364E-02 2.816686E-04 734 50 3.665874E-02 8.553422E-02 2.783130E-04 734 51 3.723150E-02 8.513701E-02 2.731433E-04 734 52 3.780427E-02 8.454798E-02 2.705962E-04 734 53 3.837704E-02 8.407836E-02 2.713760E-04 734 54 3.894980E-02 8.378873E-02 2.638593E-04 734 55 3.952257E-02 8.279254E-02 2.593284E-04 734 56 4.009533E-02 8.206185E-02 2.645508E-04 734 57 4.066809E-02 8.192096E-02 2.604742E-04 734 58 4.124085E-02 8.161874E-02 2.589490E-04 734 59 4.181361E-02 8.066529E-02 2.566293E-04 734 60 4.238637E-02 8.005632E-02 2.532870E-04 734 61 4.295913E-02 7.932856E-02 2.497500E-04 734 62 4.353188E-02 7.895145E-02 2.488487E-04 734 63 4.410464E-02 7.820332E-02 2.470745E-04 734 64 4.467739E-02 7.774892E-02 2.462383E-04 734 65 4.525014E-02 7.713873E-02 2.424571E-04 734 66 4.582289E-02 7.691534E-02 2.422960E-04 734 67 4.639564E-02 7.645903E-02 2.366174E-04 734 68 4.696839E-02 7.542881E-02 2.385503E-04 734 69 4.754113E-02 7.512414E-02 2.313242E-04 734 70 4.811388E-02 7.474271E-02 2.334999E-04 734 71 4.868662E-02 7.358419E-02 2.342368E-04 734 72 4.925936E-02 7.310270E-02 2.309479E-04 734 73 4.983210E-02 7.254163E-02 2.272917E-04 734 74 5.040484E-02 7.203301E-02 2.259221E-04 734 75 5.097758E-02 7.165112E-02 2.246779E-04 734 76 5.155031E-02 7.111434E-02 2.219493E-04 734 77 5.212305E-02 6.993275E-02 2.183250E-04 734 78 5.269578E-02 6.955024E-02 2.163021E-04 734 79 5.326851E-02 6.900005E-02 2.190638E-04 734 80 5.384124E-02 6.865255E-02 2.151950E-04 734 81 5.441397E-02 6.823137E-02 2.122844E-04 734 82 5.498669E-02 6.775893E-02 2.188601E-04 734 83 5.555942E-02 6.722575E-02 2.237442E-04 734 84 5.613214E-02 6.636707E-02 2.256246E-04 734 85 5.670486E-02 6.587992E-02 2.274596E-04 734 86 5.727758E-02 6.519603E-02 2.292543E-04 734 87 5.785030E-02 6.459870E-02 2.369090E-04 734 88 5.842302E-02 6.399573E-02 2.327531E-04 734 89 5.899573E-02 6.318689E-02 2.334711E-04 734 90 5.956844E-02 6.278406E-02 2.322643E-04 734 91 6.014115E-02 6.200251E-02 2.345636E-04 734 92 6.071386E-02 6.124759E-02 2.413021E-04 734 93 6.128657E-02 6.093248E-02 2.358692E-04 734 94 6.185927E-02 6.034128E-02 2.348406E-04 734 95 6.243198E-02 5.956807E-02 2.388335E-04 734 96 6.300468E-02 5.930135E-02 2.372967E-04 734 97 6.357738E-02 5.825621E-02 2.395554E-04 734 98 6.415007E-02 5.774085E-02 2.330336E-04 734 99 6.472277E-02 5.717192E-02 2.286537E-04 734 100 6.529546E-02 5.672410E-02 2.278231E-04 734 101 6.586816E-02 5.627446E-02 2.308940E-04 734 102 6.644085E-02 5.528960E-02 2.315054E-04 734 103 6.701353E-02 5.454126E-02 2.299406E-04 734 104 6.758622E-02 5.382626E-02 2.309081E-04 734 105 6.815890E-02 5.314152E-02 2.281014E-04 734 106 6.873158E-02 5.297234E-02 2.319911E-04 734 107 6.930426E-02 5.245877E-02 2.325047E-04 734 108 6.987694E-02 5.188186E-02 2.313436E-04 734 109 7.044962E-02 5.114982E-02 2.287945E-04 734 110 7.102229E-02 5.076144E-02 2.272757E-04 734 111 7.159496E-02 5.012198E-02 2.249071E-04 734 112 7.216763E-02 4.935654E-02 2.251585E-04 734 113 7.274030E-02 4.905320E-02 2.298992E-04 734 114 7.331296E-02 4.824598E-02 2.288028E-04 734 115 7.388562E-02 4.755009E-02 2.290842E-04 734 116 7.445828E-02 4.717579E-02 2.289718E-04 734 117 7.503094E-02 4.671264E-02 2.259410E-04 734 118 7.560360E-02 4.640224E-02 2.281235E-04 734 119 7.617625E-02 4.561099E-02 2.259810E-04 734 120 7.674890E-02 4.477291E-02 2.241733E-04 734 121 7.732155E-02 4.403218E-02 2.284378E-04 734 122 7.789420E-02 4.405329E-02 2.271617E-04 734 123 7.846684E-02 4.312472E-02 2.264007E-04 734 124 7.903948E-02 4.275772E-02 2.236534E-04 734 125 7.961212E-02 4.201130E-02 2.212164E-04 734 126 8.018476E-02 4.128052E-02 2.262177E-04 734 127 8.075740E-02 4.101379E-02 2.201129E-04 734 128 8.133003E-02 4.059668E-02 2.213311E-04 734 129 8.190266E-02 3.996431E-02 2.212024E-04 734 130 8.247528E-02 3.938762E-02 2.202155E-04 734 131 8.304791E-02 3.901289E-02 2.210287E-04 734 132 8.362053E-02 3.850571E-02 2.202541E-04 734 133 8.419315E-02 3.798149E-02 2.175200E-04 734 134 8.476577E-02 3.734429E-02 2.212896E-04 734 135 8.533838E-02 3.657302E-02 2.166885E-04 734 136 8.591100E-02 3.612049E-02 2.186676E-04 734 137 8.648361E-02 3.578461E-02 2.175056E-04 734 138 8.705621E-02 3.532025E-02 2.176805E-04 734 139 8.762882E-02 3.468390E-02 2.206118E-04 734 140 8.820142E-02 3.437016E-02 2.133824E-04 734 141 8.877402E-02 3.374289E-02 2.178110E-04 734 142 8.934661E-02 3.331874E-02 2.176004E-04 734 143 8.991921E-02 3.293665E-02 2.180515E-04 734 144 9.049180E-02 3.214734E-02 2.156573E-04 734 145 9.106439E-02 3.175658E-02 2.123409E-04 734 146 9.163697E-02 3.119354E-02 2.146527E-04 734 147 9.220956E-02 3.093826E-02 2.147844E-04 734 148 9.278214E-02 3.044749E-02 2.101816E-04 734 149 9.335471E-02 2.992392E-02 2.124370E-04 734 150 9.392729E-02 2.969098E-02 2.104866E-04 734 151 9.449986E-02 2.896524E-02 2.088737E-04 734 152 9.507243E-02 2.856827E-02 2.079058E-04 734 153 9.564500E-02 2.839451E-02 2.088432E-04 734 154 9.621756E-02 2.780320E-02 2.081244E-04 734 155 9.679012E-02 2.700418E-02 2.075295E-04 734 156 9.736268E-02 2.710488E-02 2.077584E-04 734 157 9.793523E-02 2.664704E-02 2.077121E-04 734 158 9.850778E-02 2.604854E-02 2.076334E-04 734 159 9.908033E-02 2.588706E-02 1.990787E-04 734 160 9.965288E-02 2.543161E-02 1.923574E-04 734 161 1.002254E-01 2.476962E-02 1.917457E-04 734 162 1.007980E-01 2.413502E-02 1.970633E-04 734 163 1.013705E-01 2.397619E-02 1.940205E-04 734 164 1.019430E-01 2.357044E-02 1.977232E-04 734 165 1.025156E-01 2.304956E-02 1.944505E-04 734 166 1.030881E-01 2.262962E-02 1.951154E-04 734 167 1.036606E-01 2.222092E-02 1.950995E-04 734 168 1.042331E-01 2.170423E-02 1.955949E-04 734 169 1.048057E-01 2.145891E-02 1.944011E-04 734 170 1.053782E-01 2.121030E-02 1.942317E-04 734 171 1.059507E-01 2.098957E-02 1.920797E-04 734 172 1.065232E-01 2.060113E-02 1.941182E-04 734 173 1.070957E-01 2.008356E-02 1.954474E-04 734 174 1.076682E-01 2.002543E-02 1.937335E-04 734 175 1.082407E-01 1.973757E-02 1.893869E-04 734 176 1.088132E-01 1.906080E-02 1.922169E-04 734 177 1.093857E-01 1.874115E-02 1.922128E-04 734 178 1.099582E-01 1.837794E-02 1.898906E-04 734 179 1.105307E-01 1.805849E-02 1.884619E-04 734 180 1.111031E-01 1.761436E-02 1.887602E-04 734 181 1.116756E-01 1.733617E-02 1.901133E-04 734 182 1.122481E-01 1.702397E-02 1.879149E-04 734 183 1.128206E-01 1.699905E-02 1.895980E-04 734 184 1.133930E-01 1.690184E-02 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734 716 7.512019E-01 3.539956E-04 2.710309E-04 734 717 7.531550E-01 4.147531E-04 2.820448E-04 734 718 7.551078E-01 4.413214E-04 2.780546E-04 734 719 7.570604E-01 3.663514E-04 2.896017E-04 734 720 7.590126E-01 3.721649E-04 2.968635E-04 734 721 7.609646E-01 3.277906E-04 3.000861E-04 734 722 7.629164E-01 3.772544E-04 3.062550E-04 734 723 7.648678E-01 3.840256E-04 3.075187E-04 734 724 7.668190E-01 3.773980E-04 3.119654E-04 734 725 7.687700E-01 3.724557E-04 3.128348E-04 734 726 7.707206E-01 4.150257E-04 3.137669E-04 734 727 7.726710E-01 3.843280E-04 2.999284E-04 734 728 7.746211E-01 3.238701E-04 2.953890E-04 734 729 7.765710E-01 3.739876E-04 2.531153E-04 734 730 7.785205E-01 3.839650E-04 1.807221E-04 734 731 7.804698E-01 4.830765E-04 1.214994E-04 734 732 7.824188E-01 4.571346E-04 1.158950E-04 734 733 7.843676E-01 4.220911E-04 1.116037E-04 734 734 7.863160E-01 5.510129E-04 1.198561E-04 734 735 7.882642E-01 5.543472E-04 1.241423E-04 734 736 7.902121E-01 4.712043E-04 1.330743E-04 734 737 7.921598E-01 5.595478E-04 1.398821E-04 734 738 7.941071E-01 6.215542E-04 1.503107E-04 734 739 7.960542E-01 3.456169E-04 1.648542E-04 734 740 7.980010E-01 4.536608E-04 1.698355E-04 734 741 7.999475E-01 3.474855E-04 1.842075E-04 734 742 8.018937E-01 4.930057E-04 2.071644E-04 734 # _sas_p_of_R_details.id 734 _sas_p_of_R_details.intensity_id 734 _sas_p_of_R_details.software_p_of_R "GNOM 5.0" _sas_p_of_R_details.number_of_points 500 _sas_p_of_R_details.qmin 0.0194752 _sas_p_of_R_details.qmax 0.362108 _sas_p_of_R_details.p_of_R_point_min 1 _sas_p_of_R_details.p_of_R_point_max 500 _sas_p_of_R_details.Rmin 0.0 _sas_p_of_R_details.Rmax 75.9 # 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 734 1 0.000000E+00 0.000000E+00 0.000000E+00 734 2 3.530000E-01 1.806000E-06 5.870000E-08 734 3 7.060000E-01 3.824000E-06 1.073000E-07 734 4 1.059000E+00 6.054000E-06 1.459000E-07 734 5 1.412000E+00 8.492000E-06 1.749000E-07 734 6 1.765000E+00 1.114000E-05 1.946000E-07 734 7 2.118000E+00 1.398000E-05 2.057000E-07 734 8 2.471000E+00 1.702000E-05 2.088000E-07 734 9 2.824000E+00 2.026000E-05 2.045000E-07 734 10 3.177000E+00 2.367000E-05 1.940000E-07 734 11 3.530000E+00 2.727000E-05 1.782000E-07 734 12 3.883000E+00 3.103000E-05 1.586000E-07 734 13 4.236000E+00 3.496000E-05 1.373000E-07 734 14 4.589000E+00 3.904000E-05 1.172000E-07 734 15 4.942000E+00 4.326000E-05 1.030000E-07 734 16 5.295000E+00 4.762000E-05 1.002000E-07 734 17 5.648000E+00 5.210000E-05 1.113000E-07 734 18 6.001000E+00 5.670000E-05 1.329000E-07 734 19 6.354000E+00 6.140000E-05 1.604000E-07 734 20 6.707000E+00 6.620000E-05 1.900000E-07 734 21 7.060000E+00 7.109000E-05 2.196000E-07 734 22 7.413000E+00 7.605000E-05 2.475000E-07 734 23 7.767000E+00 8.109000E-05 2.727000E-07 734 24 8.120000E+00 8.618000E-05 2.944000E-07 734 25 8.473000E+00 9.133000E-05 3.121000E-07 734 26 8.826000E+00 9.652000E-05 3.253000E-07 734 27 9.179000E+00 1.017000E-04 3.338000E-07 734 28 9.532000E+00 1.070000E-04 3.374000E-07 734 29 9.885000E+00 1.123000E-04 3.362000E-07 734 30 1.024000E+01 1.176000E-04 3.302000E-07 734 31 1.059000E+01 1.229000E-04 3.198000E-07 734 32 1.094000E+01 1.282000E-04 3.055000E-07 734 33 1.130000E+01 1.335000E-04 2.878000E-07 734 34 1.165000E+01 1.388000E-04 2.676000E-07 734 35 1.200000E+01 1.441000E-04 2.460000E-07 734 36 1.236000E+01 1.494000E-04 2.247000E-07 734 37 1.271000E+01 1.547000E-04 2.056000E-07 734 38 1.306000E+01 1.599000E-04 1.911000E-07 734 39 1.341000E+01 1.652000E-04 1.838000E-07 734 40 1.377000E+01 1.704000E-04 1.853000E-07 734 41 1.412000E+01 1.756000E-04 1.958000E-07 734 42 1.447000E+01 1.807000E-04 2.136000E-07 734 43 1.483000E+01 1.858000E-04 2.363000E-07 734 44 1.518000E+01 1.909000E-04 2.616000E-07 734 45 1.553000E+01 1.960000E-04 2.878000E-07 734 46 1.589000E+01 2.010000E-04 3.132000E-07 734 47 1.624000E+01 2.059000E-04 3.369000E-07 734 48 1.659000E+01 2.108000E-04 3.580000E-07 734 49 1.695000E+01 2.157000E-04 3.758000E-07 734 50 1.730000E+01 2.205000E-04 3.901000E-07 734 51 1.765000E+01 2.252000E-04 4.004000E-07 734 52 1.800000E+01 2.298000E-04 4.068000E-07 734 53 1.836000E+01 2.344000E-04 4.091000E-07 734 54 1.871000E+01 2.388000E-04 4.076000E-07 734 55 1.906000E+01 2.432000E-04 4.027000E-07 734 56 1.942000E+01 2.475000E-04 3.947000E-07 734 57 1.977000E+01 2.516000E-04 3.843000E-07 734 58 2.012000E+01 2.556000E-04 3.722000E-07 734 59 2.048000E+01 2.595000E-04 3.595000E-07 734 60 2.083000E+01 2.632000E-04 3.471000E-07 734 61 2.118000E+01 2.668000E-04 3.363000E-07 734 62 2.153000E+01 2.702000E-04 3.281000E-07 734 63 2.189000E+01 2.735000E-04 3.235000E-07 734 64 2.224000E+01 2.765000E-04 3.233000E-07 734 65 2.259000E+01 2.793000E-04 3.276000E-07 734 66 2.295000E+01 2.819000E-04 3.362000E-07 734 67 2.330000E+01 2.843000E-04 3.484000E-07 734 68 2.365000E+01 2.865000E-04 3.632000E-07 734 69 2.401000E+01 2.884000E-04 3.795000E-07 734 70 2.436000E+01 2.900000E-04 3.962000E-07 734 71 2.471000E+01 2.914000E-04 4.125000E-07 734 72 2.506000E+01 2.925000E-04 4.275000E-07 734 73 2.542000E+01 2.933000E-04 4.404000E-07 734 74 2.577000E+01 2.938000E-04 4.509000E-07 734 75 2.612000E+01 2.941000E-04 4.584000E-07 734 76 2.648000E+01 2.940000E-04 4.629000E-07 734 77 2.683000E+01 2.936000E-04 4.643000E-07 734 78 2.718000E+01 2.929000E-04 4.628000E-07 734 79 2.754000E+01 2.919000E-04 4.585000E-07 734 80 2.789000E+01 2.905000E-04 4.520000E-07 734 81 2.824000E+01 2.889000E-04 4.438000E-07 734 82 2.859000E+01 2.869000E-04 4.346000E-07 734 83 2.895000E+01 2.847000E-04 4.254000E-07 734 84 2.930000E+01 2.821000E-04 4.170000E-07 734 85 2.965000E+01 2.793000E-04 4.105000E-07 734 86 3.001000E+01 2.762000E-04 4.066000E-07 734 87 3.036000E+01 2.727000E-04 4.062000E-07 734 88 3.071000E+01 2.691000E-04 4.096000E-07 734 89 3.107000E+01 2.651000E-04 4.168000E-07 734 90 3.142000E+01 2.610000E-04 4.276000E-07 734 91 3.177000E+01 2.565000E-04 4.414000E-07 734 92 3.213000E+01 2.519000E-04 4.574000E-07 734 93 3.248000E+01 2.471000E-04 4.746000E-07 734 94 3.283000E+01 2.421000E-04 4.923000E-07 734 95 3.318000E+01 2.369000E-04 5.094000E-07 734 96 3.354000E+01 2.316000E-04 5.252000E-07 734 97 3.389000E+01 2.261000E-04 5.391000E-07 734 98 3.424000E+01 2.205000E-04 5.506000E-07 734 99 3.460000E+01 2.148000E-04 5.593000E-07 734 100 3.495000E+01 2.091000E-04 5.650000E-07 734 101 3.530000E+01 2.032000E-04 5.675000E-07 734 102 3.566000E+01 1.974000E-04 5.671000E-07 734 103 3.601000E+01 1.915000E-04 5.639000E-07 734 104 3.636000E+01 1.855000E-04 5.582000E-07 734 105 3.671000E+01 1.796000E-04 5.507000E-07 734 106 3.707000E+01 1.737000E-04 5.420000E-07 734 107 3.742000E+01 1.679000E-04 5.329000E-07 734 108 3.777000E+01 1.621000E-04 5.243000E-07 734 109 3.813000E+01 1.563000E-04 5.170000E-07 734 110 3.848000E+01 1.507000E-04 5.120000E-07 734 111 3.883000E+01 1.451000E-04 5.099000E-07 734 112 3.919000E+01 1.396000E-04 5.114000E-07 734 113 3.954000E+01 1.343000E-04 5.166000E-07 734 114 3.989000E+01 1.290000E-04 5.255000E-07 734 115 4.024000E+01 1.239000E-04 5.378000E-07 734 116 4.060000E+01 1.189000E-04 5.527000E-07 734 117 4.095000E+01 1.140000E-04 5.695000E-07 734 118 4.130000E+01 1.093000E-04 5.873000E-07 734 119 4.166000E+01 1.047000E-04 6.054000E-07 734 120 4.201000E+01 1.003000E-04 6.228000E-07 734 121 4.236000E+01 9.604000E-05 6.389000E-07 734 122 4.272000E+01 9.191000E-05 6.531000E-07 734 123 4.307000E+01 8.793000E-05 6.649000E-07 734 124 4.342000E+01 8.411000E-05 6.741000E-07 734 125 4.377000E+01 8.043000E-05 6.805000E-07 734 126 4.413000E+01 7.689000E-05 6.842000E-07 734 127 4.448000E+01 7.350000E-05 6.854000E-07 734 128 4.483000E+01 7.025000E-05 6.844000E-07 734 129 4.519000E+01 6.713000E-05 6.818000E-07 734 130 4.554000E+01 6.415000E-05 6.783000E-07 734 131 4.589000E+01 6.129000E-05 6.746000E-07 734 132 4.625000E+01 5.856000E-05 6.718000E-07 734 133 4.660000E+01 5.595000E-05 6.706000E-07 734 134 4.695000E+01 5.345000E-05 6.720000E-07 734 135 4.731000E+01 5.106000E-05 6.766000E-07 734 136 4.766000E+01 4.877000E-05 6.850000E-07 734 137 4.801000E+01 4.659000E-05 6.974000E-07 734 138 4.836000E+01 4.449000E-05 7.137000E-07 734 139 4.872000E+01 4.249000E-05 7.336000E-07 734 140 4.907000E+01 4.058000E-05 7.564000E-07 734 141 4.942000E+01 3.874000E-05 7.814000E-07 734 142 4.978000E+01 3.699000E-05 8.077000E-07 734 143 5.013000E+01 3.531000E-05 8.342000E-07 734 144 5.048000E+01 3.370000E-05 8.602000E-07 734 145 5.084000E+01 3.215000E-05 8.846000E-07 734 146 5.119000E+01 3.068000E-05 9.067000E-07 734 147 5.154000E+01 2.926000E-05 9.258000E-07 734 148 5.189000E+01 2.790000E-05 9.413000E-07 734 149 5.225000E+01 2.660000E-05 9.527000E-07 734 150 5.260000E+01 2.536000E-05 9.597000E-07 734 151 5.295000E+01 2.417000E-05 9.621000E-07 734 152 5.331000E+01 2.303000E-05 9.600000E-07 734 153 5.366000E+01 2.194000E-05 9.534000E-07 734 154 5.401000E+01 2.090000E-05 9.426000E-07 734 155 5.437000E+01 1.991000E-05 9.281000E-07 734 156 5.472000E+01 1.897000E-05 9.104000E-07 734 157 5.507000E+01 1.807000E-05 8.902000E-07 734 158 5.542000E+01 1.721000E-05 8.685000E-07 734 159 5.578000E+01 1.640000E-05 8.462000E-07 734 160 5.613000E+01 1.563000E-05 8.245000E-07 734 161 5.648000E+01 1.490000E-05 8.044000E-07 734 162 5.684000E+01 1.421000E-05 7.871000E-07 734 163 5.719000E+01 1.357000E-05 7.737000E-07 734 164 5.754000E+01 1.295000E-05 7.648000E-07 734 165 5.790000E+01 1.238000E-05 7.610000E-07 734 166 5.825000E+01 1.184000E-05 7.626000E-07 734 167 5.860000E+01 1.133000E-05 7.693000E-07 734 168 5.895000E+01 1.086000E-05 7.806000E-07 734 169 5.931000E+01 1.042000E-05 7.956000E-07 734 170 5.966000E+01 1.000000E-05 8.134000E-07 734 171 6.001000E+01 9.619000E-06 8.330000E-07 734 172 6.037000E+01 9.258000E-06 8.532000E-07 734 173 6.072000E+01 8.922000E-06 8.731000E-07 734 174 6.107000E+01 8.608000E-06 8.919000E-07 734 175 6.143000E+01 8.314000E-06 9.088000E-07 734 176 6.178000E+01 8.038000E-06 9.233000E-07 734 177 6.213000E+01 7.779000E-06 9.349000E-07 734 178 6.249000E+01 7.535000E-06 9.435000E-07 734 179 6.284000E+01 7.303000E-06 9.489000E-07 734 180 6.319000E+01 7.083000E-06 9.513000E-07 734 181 6.354000E+01 6.873000E-06 9.508000E-07 734 182 6.390000E+01 6.671000E-06 9.479000E-07 734 183 6.425000E+01 6.475000E-06 9.430000E-07 734 184 6.460000E+01 6.285000E-06 9.367000E-07 734 185 6.496000E+01 6.099000E-06 9.297000E-07 734 186 6.531000E+01 5.915000E-06 9.226000E-07 734 187 6.566000E+01 5.734000E-06 9.162000E-07 734 188 6.602000E+01 5.554000E-06 9.110000E-07 734 189 6.637000E+01 5.374000E-06 9.077000E-07 734 190 6.672000E+01 5.194000E-06 9.067000E-07 734 191 6.707000E+01 5.013000E-06 9.081000E-07 734 192 6.743000E+01 4.831000E-06 9.121000E-07 734 193 6.778000E+01 4.648000E-06 9.185000E-07 734 194 6.813000E+01 4.463000E-06 9.269000E-07 734 195 6.849000E+01 4.277000E-06 9.366000E-07 734 196 6.884000E+01 4.089000E-06 9.471000E-07 734 197 6.919000E+01 3.900000E-06 9.574000E-07 734 198 6.955000E+01 3.709000E-06 9.667000E-07 734 199 6.990000E+01 3.517000E-06 9.740000E-07 734 200 7.025000E+01 3.324000E-06 9.784000E-07 734 201 7.060000E+01 3.130000E-06 9.790000E-07 734 202 7.096000E+01 2.935000E-06 9.748000E-07 734 203 7.131000E+01 2.740000E-06 9.650000E-07 734 204 7.166000E+01 2.543000E-06 9.487000E-07 734 205 7.202000E+01 2.346000E-06 9.252000E-07 734 206 7.237000E+01 2.147000E-06 8.937000E-07 734 207 7.272000E+01 1.948000E-06 8.534000E-07 734 208 7.308000E+01 1.747000E-06 8.038000E-07 734 209 7.343000E+01 1.543000E-06 7.441000E-07 734 210 7.378000E+01 1.337000E-06 6.738000E-07 734 211 7.413000E+01 1.128000E-06 5.923000E-07 734 212 7.449000E+01 9.151000E-07 4.991000E-07 734 213 7.484000E+01 6.967000E-07 3.937000E-07 734 214 7.519000E+01 4.723000E-07 2.757000E-07 734 215 7.555000E+01 2.404000E-07 1.445000E-07 734 216 7.590000E+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 734 1 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1.351380E-03 734 415 2.403660E-01 1.351790E-03 734 416 2.409370E-01 1.352080E-03 734 417 2.415080E-01 1.352220E-03 734 418 2.420800E-01 1.352250E-03 734 419 2.426510E-01 1.352150E-03 734 420 2.432220E-01 1.351930E-03 734 421 2.437930E-01 1.351580E-03 734 422 2.443650E-01 1.351110E-03 734 423 2.449360E-01 1.350520E-03 734 424 2.455070E-01 1.349800E-03 734 425 2.460780E-01 1.348960E-03 734 426 2.466490E-01 1.348010E-03 734 427 2.472210E-01 1.346940E-03 734 428 2.477920E-01 1.345750E-03 734 429 2.483630E-01 1.344440E-03 734 430 2.489340E-01 1.343020E-03 734 431 2.495050E-01 1.341480E-03 734 432 2.500770E-01 1.339830E-03 734 433 2.506480E-01 1.338070E-03 734 434 2.512190E-01 1.336200E-03 734 435 2.517900E-01 1.334230E-03 734 436 2.523360E-01 1.332240E-03 734 437 2.523610E-01 1.332140E-03 734 438 2.529320E-01 1.329950E-03 734 439 2.535030E-01 1.327660E-03 734 440 2.540750E-01 1.325260E-03 734 441 2.543350E-01 1.324130E-03 734 442 2.546460E-01 1.322800E-03 734 443 2.552170E-01 1.320190E-03 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2.683500E-01 1.236410E-03 734 474 2.689210E-01 1.231890E-03 734 475 2.694920E-01 1.227280E-03 734 476 2.700630E-01 1.222630E-03 734 477 2.703210E-01 1.220500E-03 734 478 2.706340E-01 1.217910E-03 734 479 2.712040E-01 1.213140E-03 734 480 2.717750E-01 1.208310E-03 734 481 2.723190E-01 1.203660E-03 734 482 2.723460E-01 1.203430E-03 734 483 2.729170E-01 1.198490E-03 734 484 2.743170E-01 1.186170E-03 734 485 2.763140E-01 1.168090E-03 734 486 2.783120E-01 1.149470E-03 734 487 2.803090E-01 1.130370E-03 734 488 2.823070E-01 1.110850E-03 734 489 2.843040E-01 1.090960E-03 734 490 2.863010E-01 1.070760E-03 734 491 2.882980E-01 1.050290E-03 734 492 2.902950E-01 1.029610E-03 734 493 2.922920E-01 1.008770E-03 734 494 2.942890E-01 9.878190E-04 734 495 2.962850E-01 9.668030E-04 734 496 2.982820E-01 9.457700E-04 734 497 3.002780E-01 9.247680E-04 734 498 3.022740E-01 9.038480E-04 734 499 3.042710E-01 8.830430E-04 734 500 3.062670E-01 8.624090E-04 734 501 3.082630E-01 8.419840E-04 734 502 3.102580E-01 8.218110E-04 734 503 3.122540E-01 8.019150E-04 734 504 3.142500E-01 7.823800E-04 734 505 3.162450E-01 7.631980E-04 734 506 3.182410E-01 7.444170E-04 734 507 3.202360E-01 7.260710E-04 734 508 3.222310E-01 7.081910E-04 734 509 3.242260E-01 6.908030E-04 734 510 3.262210E-01 6.739300E-04 734 511 3.282160E-01 6.575960E-04 734 512 3.302110E-01 6.418190E-04 734 513 3.322050E-01 6.266110E-04 734 514 3.341990E-01 6.119860E-04 734 515 3.361940E-01 5.979510E-04 734 516 3.381880E-01 5.845120E-04 734 517 3.401820E-01 5.716680E-04 734 518 3.421760E-01 5.594180E-04 734 519 3.441700E-01 5.477570E-04 734 520 3.461640E-01 5.366740E-04 734 521 3.481570E-01 5.261580E-04 734 522 3.501510E-01 5.161950E-04 734 523 3.521440E-01 5.067670E-04 734 524 3.541370E-01 4.978530E-04 734 525 3.561300E-01 4.894350E-04 734 526 3.581230E-01 4.814860E-04 734 527 3.601160E-01 4.739810E-04 734 528 3.621080E-01 4.668940E-04 # data_SASDCX8_FIT_1150 # _sas_model_fitting_details.id 1150 _sas_model_fitting_details.unit 1/A _sas_model_fitting_details.chi_square 5.69477081532 _sas_model_fitting_details.p_value . _sas_model_fitting_details.result_id 734 # loop_ _sas_model_fitting.id _sas_model_fitting.ordinal _sas_model_fitting.momentum_transfer _sas_model_fitting.intensity _sas_model_fitting.fit 1150 1 8.590000E-03 1.036176E-01 1.036176E-01 1150 2 9.160000E-03 1.037236E-01 1.037236E-01 1150 3 9.740000E-03 1.041652E-01 1.041652E-01 1150 4 1.031000E-02 1.035011E-01 1.035011E-01 1150 5 1.088000E-02 1.026219E-01 1.026219E-01 1150 6 1.146000E-02 1.029968E-01 1.029968E-01 1150 7 1.203000E-02 1.025756E-01 1.025756E-01 1150 8 1.260000E-02 1.016788E-01 1.016788E-01 1150 9 1.317000E-02 1.003818E-01 1.003818E-01 1150 10 1.375000E-02 1.010249E-01 1.010249E-01 1150 11 1.432000E-02 1.001001E-01 1.001001E-01 1150 12 1.489000E-02 1.008356E-01 1.008356E-01 1150 13 1.547000E-02 9.952424E-02 9.952424E-02 1150 14 1.604000E-02 1.002652E-01 1.002652E-01 1150 15 1.661000E-02 1.004689E-01 1.004689E-01 1150 16 1.718000E-02 9.981305E-02 9.981305E-02 1150 17 1.776000E-02 9.907762E-02 9.907762E-02 1150 18 1.833000E-02 9.869527E-02 9.869527E-02 1150 19 1.890000E-02 9.869013E-02 9.869013E-02 1150 20 1.948000E-02 9.895937E-02 9.895937E-02 1150 21 2.005000E-02 9.820818E-02 9.820818E-02 1150 22 2.062000E-02 9.694374E-02 9.694374E-02 1150 23 2.119000E-02 9.668292E-02 9.668292E-02 1150 24 2.177000E-02 9.707749E-02 9.707749E-02 1150 25 2.234000E-02 9.703334E-02 9.703334E-02 1150 26 2.291000E-02 9.610682E-02 9.610682E-02 1150 27 2.348000E-02 9.600936E-02 9.600936E-02 1150 28 2.406000E-02 9.506635E-02 9.506635E-02 1150 29 2.463000E-02 9.544449E-02 9.544449E-02 1150 30 2.520000E-02 9.505610E-02 9.505610E-02 1150 31 2.578000E-02 9.488927E-02 9.488927E-02 1150 32 2.635000E-02 9.400046E-02 9.400046E-02 1150 33 2.692000E-02 9.350972E-02 9.350972E-02 1150 34 2.749000E-02 9.332601E-02 9.332601E-02 1150 35 2.807000E-02 9.277541E-02 9.277541E-02 1150 36 2.864000E-02 9.193580E-02 9.193580E-02 1150 37 2.921000E-02 9.184339E-02 9.184339E-02 1150 38 2.979000E-02 9.108548E-02 9.108548E-02 1150 39 3.036000E-02 9.091604E-02 9.091604E-02 1150 40 3.093000E-02 9.026286E-02 9.026286E-02 1150 41 3.150000E-02 8.954310E-02 8.954310E-02 1150 42 3.208000E-02 8.949858E-02 8.949858E-02 1150 43 3.265000E-02 8.903889E-02 8.903889E-02 1150 44 3.322000E-02 8.860483E-02 8.860483E-02 1150 45 3.379000E-02 8.837382E-02 8.837382E-02 1150 46 3.437000E-02 8.757605E-02 8.757605E-02 1150 47 3.494000E-02 8.726920E-02 8.726920E-02 1150 48 3.551000E-02 8.652767E-02 8.652767E-02 1150 49 3.609000E-02 8.589364E-02 8.589364E-02 1150 50 3.666000E-02 8.553422E-02 8.553422E-02 1150 51 3.723000E-02 8.513701E-02 8.513701E-02 1150 52 3.780000E-02 8.454798E-02 8.454798E-02 1150 53 3.838000E-02 8.407836E-02 8.407836E-02 1150 54 3.895000E-02 8.378873E-02 8.378873E-02 1150 55 3.952000E-02 8.279254E-02 8.279254E-02 1150 56 4.010000E-02 8.206185E-02 8.206185E-02 1150 57 4.067000E-02 8.192096E-02 8.192096E-02 1150 58 4.124000E-02 8.161874E-02 8.161874E-02 1150 59 4.181000E-02 8.066529E-02 8.066529E-02 1150 60 4.239000E-02 8.005632E-02 8.005632E-02 1150 61 4.296000E-02 7.932856E-02 7.932856E-02 1150 62 4.353000E-02 7.895145E-02 7.895145E-02 1150 63 4.410000E-02 7.820332E-02 7.820332E-02 1150 64 4.468000E-02 7.774892E-02 7.774892E-02 1150 65 4.525000E-02 7.713873E-02 7.713873E-02 1150 66 4.582000E-02 7.691534E-02 7.691534E-02 1150 67 4.640000E-02 7.645903E-02 7.645903E-02 1150 68 4.697000E-02 7.542881E-02 7.542881E-02 1150 69 4.754000E-02 7.512414E-02 7.512414E-02 1150 70 4.811000E-02 7.474271E-02 7.474271E-02 1150 71 4.869000E-02 7.358419E-02 7.358419E-02 1150 72 4.926000E-02 7.310270E-02 7.310270E-02 1150 73 4.983000E-02 7.254163E-02 7.254163E-02 1150 74 5.040000E-02 7.203301E-02 7.203301E-02 1150 75 5.098000E-02 7.165112E-02 7.165112E-02 1150 76 5.155000E-02 7.111434E-02 7.111434E-02 1150 77 5.212000E-02 6.993275E-02 6.993275E-02 1150 78 5.270000E-02 6.955024E-02 6.955024E-02 1150 79 5.327000E-02 6.900005E-02 6.900005E-02 1150 80 5.384000E-02 6.865255E-02 6.865255E-02 1150 81 5.441000E-02 6.823137E-02 6.823137E-02 1150 82 5.499000E-02 6.775893E-02 6.775893E-02 1150 83 5.556000E-02 6.722575E-02 6.722575E-02 1150 84 5.613000E-02 6.636707E-02 6.636707E-02 1150 85 5.670000E-02 6.587992E-02 6.587992E-02 1150 86 5.728000E-02 6.519603E-02 6.519603E-02 1150 87 5.785000E-02 6.459870E-02 6.459870E-02 1150 88 5.842000E-02 6.399573E-02 6.399573E-02 1150 89 5.900000E-02 6.318689E-02 6.318689E-02 1150 90 5.957000E-02 6.278406E-02 6.278406E-02 1150 91 6.014000E-02 6.200251E-02 6.200251E-02 1150 92 6.071000E-02 6.124759E-02 6.124759E-02 1150 93 6.129000E-02 6.093248E-02 6.093248E-02 1150 94 6.186000E-02 6.034128E-02 6.034128E-02 1150 95 6.243000E-02 5.956807E-02 5.956807E-02 1150 96 6.300000E-02 5.930135E-02 5.930135E-02 1150 97 6.358000E-02 5.825621E-02 5.825621E-02 1150 98 6.415000E-02 5.774085E-02 5.774085E-02 1150 99 6.472000E-02 5.717192E-02 5.717192E-02 1150 100 6.530000E-02 5.672410E-02 5.672410E-02 1150 101 6.587000E-02 5.627446E-02 5.627446E-02 1150 102 6.644000E-02 5.528960E-02 5.528960E-02 1150 103 6.701000E-02 5.454126E-02 5.454126E-02 1150 104 6.759000E-02 5.382626E-02 5.382626E-02 1150 105 6.816000E-02 5.314152E-02 5.314152E-02 1150 106 6.873000E-02 5.297234E-02 5.297234E-02 1150 107 6.930000E-02 5.245877E-02 5.245877E-02 1150 108 6.988000E-02 5.188186E-02 5.188186E-02 1150 109 7.045000E-02 5.114982E-02 5.114982E-02 1150 110 7.102000E-02 5.076144E-02 5.076144E-02 1150 111 7.159000E-02 5.012198E-02 5.012198E-02 1150 112 7.217000E-02 4.935654E-02 4.935654E-02 1150 113 7.274000E-02 4.905320E-02 4.905320E-02 1150 114 7.331000E-02 4.824598E-02 4.824598E-02 1150 115 7.389000E-02 4.755009E-02 4.755009E-02 1150 116 7.446000E-02 4.717579E-02 4.717579E-02 1150 117 7.503000E-02 4.671264E-02 4.671264E-02 1150 118 7.560000E-02 4.640224E-02 4.640224E-02 1150 119 7.618000E-02 4.561099E-02 4.561099E-02 1150 120 7.675000E-02 4.477291E-02 4.477291E-02 1150 121 7.732000E-02 4.403218E-02 4.403218E-02 1150 122 7.789000E-02 4.405329E-02 4.405329E-02 1150 123 7.847000E-02 4.312472E-02 4.312472E-02 1150 124 7.904000E-02 4.275772E-02 4.275772E-02 1150 125 7.961000E-02 4.201130E-02 4.201130E-02 1150 126 8.018000E-02 4.128052E-02 4.128052E-02 1150 127 8.076000E-02 4.101379E-02 4.101379E-02 1150 128 8.133000E-02 4.059668E-02 4.059668E-02 1150 129 8.190000E-02 3.996431E-02 3.996431E-02 1150 130 8.248000E-02 3.938762E-02 3.938762E-02 1150 131 8.305000E-02 3.901289E-02 3.901289E-02 1150 132 8.362000E-02 3.850571E-02 3.850571E-02 1150 133 8.419000E-02 3.798149E-02 3.798149E-02 1150 134 8.477000E-02 3.734429E-02 3.734429E-02 1150 135 8.534000E-02 3.657302E-02 3.657302E-02 1150 136 8.591000E-02 3.612049E-02 3.612049E-02 1150 137 8.648000E-02 3.578461E-02 3.578461E-02 1150 138 8.706000E-02 3.532025E-02 3.532025E-02 1150 139 8.763000E-02 3.468390E-02 3.468390E-02 1150 140 8.820000E-02 3.437016E-02 3.437016E-02 1150 141 8.877000E-02 3.374289E-02 3.374289E-02 1150 142 8.935000E-02 3.331874E-02 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1.485660E-03 1.485660E-03 1150 413 2.443600E-01 1.435810E-03 1.435810E-03 1150 414 2.449400E-01 1.477710E-03 1.477710E-03 1150 415 2.455100E-01 1.565190E-03 1.565190E-03 1150 416 2.460800E-01 1.473910E-03 1.473910E-03 1150 417 2.466500E-01 1.171770E-03 1.171770E-03 1150 418 2.472200E-01 1.375990E-03 1.375990E-03 1150 419 2.477900E-01 1.612330E-03 1.612330E-03 1150 420 2.483600E-01 1.539530E-03 1.539530E-03 1150 421 2.489300E-01 1.485450E-03 1.485450E-03 1150 422 2.495100E-01 1.601990E-03 1.601990E-03 1150 423 2.500800E-01 1.411520E-03 1.411520E-03 1150 424 2.506500E-01 1.480020E-03 1.480020E-03 1150 425 2.512200E-01 1.501370E-03 1.501370E-03 1150 426 2.517900E-01 1.455480E-03 1.455480E-03 1150 427 2.523400E-01 1.392670E-03 1.392670E-03 1150 428 2.523600E-01 1.388250E-03 1.388250E-03 1150 429 2.529300E-01 1.450170E-03 1.450170E-03 1150 430 2.535000E-01 1.433240E-03 1.433240E-03 1150 431 2.540700E-01 1.434160E-03 1.434160E-03 1150 432 2.543300E-01 1.464030E-03 1.464030E-03 1150 433 2.546500E-01 1.498340E-03 1.498340E-03 1150 434 2.552200E-01 1.427840E-03 1.427840E-03 1150 435 2.557900E-01 1.426250E-03 1.426250E-03 1150 436 2.563300E-01 1.456670E-03 1.456670E-03 1150 437 2.563600E-01 1.474990E-03 1.474990E-03 1150 438 2.569300E-01 1.470210E-03 1.470210E-03 1150 439 2.575000E-01 1.371440E-03 1.371440E-03 1150 440 2.580700E-01 1.356380E-03 1.356380E-03 1150 441 2.583300E-01 1.382360E-03 1.382360E-03 1150 442 2.586400E-01 1.420040E-03 1.420040E-03 1150 443 2.592100E-01 1.379220E-03 1.379220E-03 1150 444 2.597900E-01 1.348730E-03 1.348730E-03 1150 445 2.603300E-01 1.343000E-03 1.343000E-03 1150 446 2.603600E-01 1.349760E-03 1.349760E-03 1150 447 2.609300E-01 1.366400E-03 1.366400E-03 1150 448 2.615000E-01 1.336320E-03 1.336320E-03 1150 449 2.620700E-01 1.371750E-03 1.371750E-03 1150 450 2.623300E-01 1.357190E-03 1.357190E-03 1150 451 2.626400E-01 1.338420E-03 1.338420E-03 1150 452 2.632100E-01 1.405560E-03 1.405560E-03 1150 453 2.637800E-01 1.359100E-03 1.359100E-03 1150 454 2.643300E-01 1.232930E-03 1.232930E-03 1150 455 2.643500E-01 1.204200E-03 1.204200E-03 1150 456 2.649200E-01 1.286660E-03 1.286660E-03 1150 457 2.655000E-01 1.321830E-03 1.321830E-03 1150 458 2.660700E-01 1.430540E-03 1.430540E-03 1150 459 2.663200E-01 1.399380E-03 1.399380E-03 1150 460 2.666400E-01 1.334480E-03 1.334480E-03 1150 461 2.672100E-01 1.386770E-03 1.386770E-03 1150 462 2.677800E-01 1.385110E-03 1.385110E-03 1150 463 2.683200E-01 1.419510E-03 1.419510E-03 1150 464 2.683500E-01 1.372090E-03 1.372090E-03 1150 465 2.689200E-01 1.166580E-03 1.166580E-03 1150 466 2.694900E-01 1.126380E-03 1.126380E-03 1150 467 2.700600E-01 1.266270E-03 1.266270E-03 1150 468 2.703200E-01 1.242810E-03 1.242810E-03 1150 469 2.706300E-01 1.190560E-03 1.190560E-03 1150 470 2.712000E-01 1.229920E-03 1.229920E-03 1150 471 2.717800E-01 1.344600E-03 1.344600E-03 1150 472 2.723200E-01 1.295470E-03 1.295470E-03 1150 473 2.723500E-01 1.266540E-03 1.266540E-03 1150 474 2.729200E-01 1.294100E-03 1.294100E-03 1150 475 2.743200E-01 1.287560E-03 1.287560E-03 1150 476 2.763100E-01 1.103330E-03 1.103330E-03 1150 477 2.783100E-01 1.210360E-03 1.210360E-03 1150 478 2.803100E-01 1.155260E-03 1.155260E-03 1150 479 2.823100E-01 1.112320E-03 1.112320E-03 1150 480 2.843000E-01 1.069120E-03 1.069120E-03 1150 481 2.863000E-01 1.076310E-03 1.076310E-03 1150 482 2.883000E-01 1.095950E-03 1.095950E-03 1150 483 2.903000E-01 1.002000E-03 1.002000E-03 1150 484 2.922900E-01 9.981300E-04 9.981300E-04 1150 485 2.942900E-01 9.645000E-04 9.645000E-04 1150 486 2.962900E-01 1.012010E-03 1.012010E-03 1150 487 2.982800E-01 9.014800E-04 9.014800E-04 1150 488 3.002800E-01 8.987200E-04 8.987200E-04 1150 489 3.022700E-01 9.434300E-04 9.434300E-04 1150 490 3.042700E-01 9.074200E-04 9.074200E-04 1150 491 3.062700E-01 8.827400E-04 8.827400E-04 1150 492 3.082600E-01 7.838200E-04 7.838200E-04 1150 493 3.102600E-01 8.018800E-04 8.018800E-04 1150 494 3.122500E-01 8.399200E-04 8.399200E-04 1150 495 3.142500E-01 8.373500E-04 8.373500E-04 1150 496 3.162500E-01 8.182200E-04 8.182200E-04 1150 497 3.182400E-01 7.472700E-04 7.472700E-04 1150 498 3.202400E-01 7.199700E-04 7.199700E-04 1150 499 3.222300E-01 6.391800E-04 6.391800E-04 1150 500 3.242300E-01 6.754600E-04 6.754600E-04 1150 501 3.262200E-01 6.793500E-04 6.793500E-04 1150 502 3.282200E-01 6.604400E-04 6.604400E-04 1150 503 3.302100E-01 6.579700E-04 6.579700E-04 1150 504 3.322100E-01 5.854800E-04 5.854800E-04 1150 505 3.342000E-01 6.172600E-04 6.172600E-04 1150 506 3.361900E-01 5.718600E-04 5.718600E-04 1150 507 3.381900E-01 6.313000E-04 6.313000E-04 1150 508 3.401800E-01 5.670300E-04 5.670300E-04 1150 509 3.421800E-01 5.090800E-04 5.090800E-04 1150 510 3.441700E-01 5.553800E-04 5.553800E-04 1150 511 3.461600E-01 5.562500E-04 5.562500E-04 1150 512 3.481600E-01 5.353200E-04 5.353200E-04 1150 513 3.501500E-01 4.913500E-04 4.913500E-04 1150 514 3.521400E-01 5.581800E-04 5.581800E-04 1150 515 3.541400E-01 5.252600E-04 5.252600E-04 1150 516 3.561300E-01 4.609900E-04 4.609900E-04 1150 517 3.581200E-01 4.059700E-04 4.059700E-04 1150 518 3.601200E-01 4.476300E-04 4.476300E-04 1150 519 3.621100E-01 4.936700E-04 4.936700E-04 1150 520 3.641000E-01 4.626800E-04 4.626800E-04 1150 521 3.660900E-01 4.745000E-04 4.745000E-04 1150 522 3.680900E-01 4.514600E-04 4.514600E-04 1150 523 3.700800E-01 4.449700E-04 4.449700E-04 1150 524 3.720700E-01 4.929300E-04 4.929300E-04 1150 525 3.740600E-01 4.904400E-04 4.904400E-04 1150 526 3.760500E-01 5.306200E-04 5.306200E-04 1150 527 3.780400E-01 5.067000E-04 5.067000E-04 1150 528 3.800400E-01 4.865900E-04 4.865900E-04 1150 529 3.820300E-01 4.717500E-04 4.717500E-04 1150 530 3.840200E-01 4.915000E-04 4.915000E-04 1150 531 3.860100E-01 5.409700E-04 5.409700E-04 1150 532 3.880000E-01 5.377800E-04 5.377800E-04 1150 533 3.899900E-01 5.763500E-04 5.763500E-04 1150 534 3.919800E-01 5.406000E-04 5.406000E-04 1150 535 3.939700E-01 5.240200E-04 5.240200E-04 1150 536 3.959600E-01 5.137500E-04 5.137500E-04 1150 537 3.979500E-01 5.232100E-04 5.232100E-04 1150 538 3.999400E-01 5.417300E-04 5.417300E-04 1150 539 4.019300E-01 6.035400E-04 6.035400E-04 1150 540 4.039200E-01 5.792000E-04 5.792000E-04 1150 541 4.059100E-01 5.709700E-04 5.709700E-04 1150 542 4.079000E-01 5.616000E-04 5.616000E-04 1150 543 4.098900E-01 5.671300E-04 5.671300E-04 1150 544 4.118800E-01 6.127300E-04 6.127300E-04 1150 545 4.138700E-01 6.382400E-04 6.382400E-04 1150 546 4.158600E-01 6.070700E-04 6.070700E-04 1150 547 4.178500E-01 6.223500E-04 6.223500E-04 1150 548 4.198400E-01 6.686300E-04 6.686300E-04 1150 549 4.218200E-01 6.430500E-04 6.430500E-04 1150 550 4.238100E-01 6.392000E-04 6.392000E-04 1150 551 4.258000E-01 6.446400E-04 6.446400E-04 1150 552 4.277900E-01 6.820700E-04 6.820700E-04 1150 553 4.297800E-01 6.720000E-04 6.720000E-04 1150 554 4.317600E-01 6.669600E-04 6.669600E-04 1150 555 4.337500E-01 6.719000E-04 6.719000E-04 1150 556 4.357400E-01 6.828700E-04 6.828700E-04 1150 557 4.377300E-01 7.223100E-04 7.223100E-04 1150 558 4.397100E-01 7.591700E-04 7.591700E-04 1150 559 4.417000E-01 7.017600E-04 7.017600E-04 1150 560 4.436900E-01 7.344700E-04 7.344700E-04 1150 561 4.456700E-01 7.203900E-04 7.203900E-04 1150 562 4.476600E-01 7.282100E-04 7.282100E-04 1150 563 4.496500E-01 7.191600E-04 7.191600E-04 1150 564 4.516300E-01 7.477600E-04 7.477600E-04 1150 565 4.536200E-01 7.640600E-04 7.640600E-04 1150 566 4.556000E-01 7.440300E-04 7.440300E-04 1150 567 4.575900E-01 7.482700E-04 7.482700E-04 1150 568 4.595700E-01 7.779800E-04 7.779800E-04 1150 569 4.615600E-01 7.565400E-04 7.565400E-04 1150 570 4.635400E-01 7.500300E-04 7.500300E-04 1150 571 4.655300E-01 7.652800E-04 7.652800E-04 1150 572 4.675100E-01 7.269900E-04 7.269900E-04 1150 573 4.695000E-01 7.593900E-04 7.593900E-04 1150 574 4.714800E-01 7.423000E-04 7.423000E-04 1150 575 4.734700E-01 7.972700E-04 7.972700E-04 1150 576 4.754500E-01 7.450900E-04 7.450900E-04 1150 577 4.774300E-01 7.503700E-04 7.503700E-04 1150 578 4.794200E-01 7.543700E-04 7.543700E-04 1150 579 4.814000E-01 7.550500E-04 7.550500E-04 1150 580 4.833800E-01 7.582700E-04 7.582700E-04 1150 581 4.853700E-01 7.972700E-04 7.972700E-04 1150 582 4.873500E-01 7.892800E-04 7.892800E-04 1150 583 4.893300E-01 7.815000E-04 7.815000E-04 1150 584 4.913200E-01 8.083500E-04 8.083500E-04 1150 585 4.933000E-01 7.932600E-04 7.932600E-04 1150 586 4.952800E-01 8.133900E-04 8.133900E-04 1150 587 4.972600E-01 7.978000E-04 7.978000E-04 1150 588 4.992400E-01 8.249200E-04 8.249200E-04 # data_SASDCX8_MODEL_1622 # _sas_model.id 1622 _sas_model.type_of_model atomic _sas_model.version . _sas_model.symmetry . _sas_model.comment "residues at N- and C-termini that were missing in PDB were built in extended conformation" _sas_model.fitting_id 1150 _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 . GLY A 1622 0 . -46.159 -6.214 9.444 1.00 0.00 ? ? ? ? ? . 0 GLY A N 1622 ATOM 2 C CA . GLY A 1622 0 . -46.388 -5.077 10.332 1.00 0.00 ? ? ? ? ? . 0 GLY A CA 1622 ATOM 3 C C . GLY A 1622 0 . -45.607 -3.869 9.876 1.00 0.00 ? ? ? ? ? . 0 GLY A C 1622 ATOM 4 O O . GLY A 1622 0 . -44.426 -3.946 9.529 1.00 0.00 ? ? ? ? ? . 0 GLY A O 1622 ATOM 5 H H . GLY A 1622 0 . -45.506 -6.148 8.586 1.00 0.00 ? ? ? ? ? . 0 GLY A H 1622 ATOM 6 H HA3 . GLY A 1622 0 . -46.078 -5.346 11.299 0.00 0.00 ? ? ? ? ? . 0 GLY A HA3 1622 ATOM 7 H HA . GLY A 1622 0 . -47.462 -4.816 10.311 1.00 0.00 ? ? ? ? ? . 0 GLY A HA 1622 ATOM 8 N N . MET A 1622 1 . -46.275 -2.560 9.843 1.00 0.00 ? ? ? ? ? . 1 MET A N 1622 ATOM 9 C CA . MET A 1622 1 . -45.280 -1.604 9.367 1.00 0.00 ? ? ? ? ? . 1 MET A CA 1622 ATOM 10 C C . MET A 1622 1 . -45.359 -0.309 10.138 1.00 0.00 ? ? ? ? ? . 1 MET A C 1622 ATOM 11 O O . MET A 1622 1 . -46.443 0.242 10.386 1.00 0.00 ? ? ? ? ? . 1 MET A O 1622 ATOM 12 C CB . MET A 1622 1 . -45.473 -1.356 7.846 1.00 0.00 ? ? ? ? ? . 1 MET A CB 1622 ATOM 13 C CG . MET A 1622 1 . -45.276 -2.584 6.932 1.00 0.00 ? ? ? ? ? . 1 MET A CG 1622 ATOM 14 S SD . MET A 1622 1 . -45.248 -2.065 5.208 1.00 0.00 ? ? ? ? ? . 1 MET A SD 1622 ATOM 15 C CE . MET A 1622 1 . -45.409 -3.682 4.440 1.00 0.00 ? ? ? ? ? . 1 MET A CE 1622 ATOM 16 H H . MET A 1622 1 . -47.298 -2.347 10.118 1.00 0.00 ? ? ? ? ? . 1 MET A H 1622 ATOM 17 H HA . MET A 1622 1 . -44.273 -2.025 9.543 1.00 0.00 ? ? ? ? ? . 1 MET A HA 1622 ATOM 18 H HB2 . MET A 1622 1 . -44.768 -0.571 7.510 1.00 0.00 ? ? ? ? ? . 1 MET A HB2 1622 ATOM 19 H HB3 . MET A 1622 1 . -46.480 -0.931 7.658 1.00 0.00 ? ? ? ? ? . 1 MET A HB3 1622 ATOM 20 H HG2 . MET A 1622 1 . -46.101 -3.306 7.083 1.00 0.00 ? ? ? ? ? . 1 MET A HG2 1622 ATOM 21 H HG3 . MET A 1622 1 . -44.338 -3.120 7.167 1.00 0.00 ? ? ? ? ? . 1 MET A HG3 1622 ATOM 22 H HE1 . MET A 1622 1 . -44.609 -4.364 4.782 1.00 0.00 ? ? ? ? ? . 1 MET A HE1 1622 ATOM 23 H HE2 . MET A 1622 1 . -46.384 -4.134 4.695 1.00 0.00 ? ? ? ? ? . 1 MET A HE2 1622 ATOM 24 H HE3 . MET A 1622 1 . -45.346 -3.597 3.342 1.00 0.00 ? ? ? ? ? . 1 MET A HE3 1622 ATOM 25 N N . THR A 1622 2 . -44.116 0.319 10.609 1.00 0.00 ? ? ? ? ? . 2 THR A N 1622 ATOM 26 C CA . THR A 1622 2 . -44.512 1.536 11.310 1.00 0.00 ? ? ? ? ? . 2 THR A CA 1622 ATOM 27 C C . THR A 1622 2 . -43.578 2.676 10.985 1.00 0.00 ? ? ? ? ? . 2 THR A C 1622 ATOM 28 O O . THR A 1622 2 . -42.371 2.536 10.975 1.00 0.00 ? ? ? ? ? . 2 THR A O 1622 ATOM 29 C CB . THR A 1622 2 . -44.567 1.288 12.856 1.00 0.00 ? ? ? ? ? . 2 THR A CB 1622 ATOM 30 C CG2 . THR A 1622 2 . -44.964 2.497 13.729 1.00 0.00 ? ? ? ? ? . 2 THR A CG2 1622 ATOM 31 O OG1 . THR A 1622 2 . -45.531 0.291 13.168 1.00 0.00 ? ? ? ? ? . 2 THR A OG1 1622 ATOM 32 H H . THR A 1622 2 . -43.110 -0.048 10.466 1.00 0.00 ? ? ? ? ? . 2 THR A H 1622 ATOM 33 H HA . THR A 1622 2 . -45.520 1.826 10.962 1.00 0.00 ? ? ? ? ? . 2 THR A HA 1622 ATOM 34 H HB . THR A 1622 2 . -43.568 0.931 13.187 1.00 0.00 ? ? ? ? ? . 2 THR A HB 1622 ATOM 35 H HG1 . THR A 1622 2 . -45.461 0.139 14.114 1.00 0.00 ? ? ? ? ? . 2 THR A HG1 1622 ATOM 36 H HG21 . THR A 1622 2 . -45.003 2.240 14.804 1.00 0.00 ? ? ? ? ? . 2 THR A HG21 1622 ATOM 37 H HG22 . THR A 1622 2 . -44.245 3.333 13.647 1.00 0.00 ? ? ? ? ? . 2 THR A HG22 1622 ATOM 38 H HG23 . THR A 1622 2 . -45.958 2.895 13.451 1.00 0.00 ? ? ? ? ? . 2 THR A HG23 1622 ATOM 39 N N . THR A 1622 3 . -44.145 3.996 10.672 1.00 75.13 ? ? ? ? ? . 3 THR A N 1622 ATOM 40 C CA . THR A 1622 3 . -43.037 4.961 10.385 1.00 80.18 ? ? ? ? ? . 3 THR A CA 1622 ATOM 41 C C . THR A 1622 3 . -43.393 6.291 11.046 1.00 68.87 ? ? ? ? ? . 3 THR A C 1622 ATOM 42 O O . THR A 1622 3 . -44.056 7.174 10.507 1.00 70.89 ? ? ? ? ? . 3 THR A O 1622 ATOM 43 C CB . THR A 1622 3 . -42.671 5.103 8.871 1.00 90.95 ? ? ? ? ? . 3 THR A CB 1622 ATOM 44 C CG2 . THR A 1622 3 . -41.370 4.387 8.546 1.00 94.99 ? ? ? ? ? . 3 THR A CG2 1622 ATOM 45 O OG1 . THR A 1622 3 . -43.708 4.558 8.042 1.00 100.34 ? ? ? ? ? . 3 THR A OG1 1622 ATOM 46 N N . LEU A 1622 4 . -42.988 6.380 12.287 1.00 67.40 ? ? ? ? ? . 4 LEU A N 1622 ATOM 47 C CA . LEU A 1622 4 . -43.299 7.514 13.068 1.00 65.29 ? ? ? ? ? . 4 LEU A CA 1622 ATOM 48 C C . LEU A 1622 4 . -42.117 8.490 12.758 1.00 57.30 ? ? ? ? ? . 4 LEU A C 1622 ATOM 49 O O . LEU A 1622 4 . -42.374 9.678 12.712 1.00 51.34 ? ? ? ? ? . 4 LEU A O 1622 ATOM 50 C CB . LEU A 1622 4 . -43.460 7.084 14.550 1.00 71.99 ? ? ? ? ? . 4 LEU A CB 1622 ATOM 51 C CG . LEU A 1622 4 . -44.660 7.600 15.359 1.00 83.96 ? ? ? ? ? . 4 LEU A CG 1622 ATOM 52 C CD1 . LEU A 1622 4 . -45.981 7.381 14.617 1.00 91.88 ? ? ? ? ? . 4 LEU A CD1 1622 ATOM 53 C CD2 . LEU A 1622 4 . -44.679 6.938 16.730 1.00 79.21 ? ? ? ? ? . 4 LEU A CD2 1622 ATOM 54 N N . THR A 1622 5 . -40.865 8.000 12.513 1.00 46.81 ? ? ? ? ? . 5 THR A N 1622 ATOM 55 C CA . THR A 1622 5 . -39.681 8.906 12.659 1.00 44.75 ? ? ? ? ? . 5 THR A CA 1622 ATOM 56 C C . THR A 1622 5 . -38.715 8.888 11.475 1.00 45.22 ? ? ? ? ? . 5 THR A C 1622 ATOM 57 O O . THR A 1622 5 . -38.639 7.930 10.761 1.00 38.28 ? ? ? ? ? . 5 THR A O 1622 ATOM 58 C CB . THR A 1622 5 . -38.852 8.665 13.944 1.00 46.40 ? ? ? ? ? . 5 THR A CB 1622 ATOM 59 C CG2 . THR A 1622 5 . -39.732 8.360 15.098 1.00 49.56 ? ? ? ? ? . 5 THR A CG2 1622 ATOM 60 O OG1 . THR A 1622 5 . -37.922 7.590 13.777 1.00 47.49 ? ? ? ? ? . 5 THR A OG1 1622 ATOM 61 N N . ARG A 1622 6 . -37.938 9.954 11.343 1.00 38.46 ? ? ? ? ? . 6 ARG A N 1622 ATOM 62 C CA . ARG A 1622 6 . -36.975 10.064 10.271 1.00 37.75 ? ? ? ? ? . 6 ARG A CA 1622 ATOM 63 C C . ARG A 1622 6 . -35.940 8.982 10.359 1.00 33.63 ? ? ? ? ? . 6 ARG A C 1622 ATOM 64 O O . ARG A 1622 6 . -35.453 8.498 9.322 1.00 36.85 ? ? ? ? ? . 6 ARG A O 1622 ATOM 65 C CB . ARG A 1622 6 . -36.337 11.461 10.305 1.00 40.27 ? ? ? ? ? . 6 ARG A CB 1622 ATOM 66 C CG . ARG A 1622 6 . -34.949 11.572 9.801 1.00 47.55 ? ? ? ? ? . 6 ARG A CG 1622 ATOM 67 C CD . ARG A 1622 6 . -34.558 13.049 9.755 1.00 41.53 ? ? ? ? ? . 6 ARG A CD 1622 ATOM 68 N NE . ARG A 1622 6 . -33.521 13.051 8.783 1.00 41.87 ? ? ? ? ? . 6 ARG A NE 1622 ATOM 69 C CZ . ARG A 1622 6 . -32.239 12.792 9.051 1.00 40.25 ? ? ? ? ? . 6 ARG A CZ 1622 ATOM 70 N NH1 . ARG A 1622 6 . -31.814 12.624 10.294 1.00 42.42 ? ? ? ? ? 1+ 6 ARG A NH1 1622 ATOM 71 N NH2 . ARG A 1622 6 . -31.385 12.764 8.088 1.00 42.90 ? ? ? ? ? . 6 ARG A NH2 1622 ATOM 72 N N . GLN A 1622 7 . -35.567 8.630 11.582 1.00 33.05 ? ? ? ? ? . 7 GLN A N 1622 ATOM 73 C CA . GLN A 1622 7 . -34.527 7.609 11.825 1.00 37.36 ? ? ? ? ? . 7 GLN A CA 1622 ATOM 74 C C . GLN A 1622 7 . -34.952 6.199 11.393 1.00 34.98 ? ? ? ? ? . 7 GLN A C 1622 ATOM 75 O O . GLN A 1622 7 . -34.091 5.325 11.147 1.00 37.10 ? ? ? ? ? . 7 GLN A O 1622 ATOM 76 C CB . GLN A 1622 7 . -34.148 7.544 13.321 1.00 43.49 ? ? ? ? ? . 7 GLN A CB 1622 ATOM 77 C CG . GLN A 1622 7 . -33.388 8.778 13.805 1.00 49.23 ? ? ? ? ? . 7 GLN A CG 1622 ATOM 78 C CD . GLN A 1622 7 . -32.134 9.099 12.973 1.00 49.27 ? ? ? ? ? . 7 GLN A CD 1622 ATOM 79 N NE2 . GLN A 1622 7 . -32.060 10.329 12.470 1.00 52.30 ? ? ? ? ? . 7 GLN A NE2 1622 ATOM 80 O OE1 . GLN A 1622 7 . -31.269 8.248 12.765 1.00 50.05 ? ? ? ? ? . 7 GLN A OE1 1622 ATOM 81 N N . ASP A 1622 8 . -36.246 5.987 11.260 1.00 36.35 ? ? ? ? ? . 8 ASP A N 1622 ATOM 82 C CA . ASP A 1622 8 . -36.814 4.665 10.842 1.00 38.12 ? ? ? ? ? . 8 ASP A CA 1622 ATOM 83 C C . ASP A 1622 8 . -36.439 4.386 9.388 1.00 37.33 ? ? ? ? ? . 8 ASP A C 1622 ATOM 84 O O . ASP A 1622 8 . -36.334 3.235 9.005 1.00 39.28 ? ? ? ? ? . 8 ASP A O 1622 ATOM 85 C CB . ASP A 1622 8 . -38.355 4.700 10.862 1.00 40.24 ? ? ? ? ? . 8 ASP A CB 1622 ATOM 86 C CG . ASP A 1622 8 . -38.993 4.633 12.287 1.00 49.21 ? ? ? ? ? . 8 ASP A CG 1622 ATOM 87 O OD1 . ASP A 1622 8 . -38.386 4.073 13.234 1.00 55.98 ? ? ? ? ? . 8 ASP A OD1 1622 ATOM 88 O OD2 . ASP A 1622 8 . -40.175 5.112 12.374 1.00 53.57 ? ? ? ? ? 1- 8 ASP A OD2 1622 ATOM 89 N N . LEU A 1622 9 . -36.160 5.422 8.575 1.00 35.21 ? ? ? ? ? . 9 LEU A N 1622 ATOM 90 C CA . LEU A 1622 9 . -35.836 5.148 7.178 1.00 34.63 ? ? ? ? ? . 9 LEU A CA 1622 ATOM 91 C C . LEU A 1622 9 . -34.348 5.057 7.045 1.00 35.80 ? ? ? ? ? . 9 LEU A C 1622 ATOM 92 O O . LEU A 1622 9 . -33.691 5.917 6.422 1.00 35.65 ? ? ? ? ? . 9 LEU A O 1622 ATOM 93 C CB . LEU A 1622 9 . -36.476 6.170 6.272 1.00 40.45 ? ? ? ? ? . 9 LEU A CB 1622 ATOM 94 C CG . LEU A 1622 9 . -38.001 6.147 6.337 1.00 43.66 ? ? ? ? ? . 9 LEU A CG 1622 ATOM 95 C CD1 . LEU A 1622 9 . -38.586 7.227 5.495 1.00 54.39 ? ? ? ? ? . 9 LEU A CD1 1622 ATOM 96 C CD2 . LEU A 1622 9 . -38.546 4.797 5.872 1.00 46.04 ? ? ? ? ? . 9 LEU A CD2 1622 ATOM 97 N N . ASN A 1622 10 . -33.811 3.987 7.604 1.00 33.06 ? ? ? ? ? . 10 ASN A N 1622 ATOM 98 C CA . ASN A 1622 10 . -32.365 3.733 7.620 1.00 32.74 ? ? ? ? ? . 10 ASN A CA 1622 ATOM 99 C C . ASN A 1622 10 . -31.525 4.982 8.005 1.00 36.01 ? ? ? ? ? . 10 ASN A C 1622 ATOM 100 O O . ASN A 1622 10 . -30.520 5.264 7.377 1.00 34.73 ? ? ? ? ? . 10 ASN A O 1622 ATOM 101 C CB . ASN A 1622 10 . -31.910 3.193 6.290 1.00 36.17 ? ? ? ? ? . 10 ASN A CB 1622 ATOM 102 C CG . ASN A 1622 10 . -32.568 1.840 5.977 1.00 42.17 ? ? ? ? ? . 10 ASN A CG 1622 ATOM 103 N ND2 . ASN A 1622 10 . -32.807 1.523 4.716 1.00 38.18 ? ? ? ? ? . 10 ASN A ND2 1622 ATOM 104 O OD1 . ASN A 1622 10 . -32.835 1.125 6.877 1.00 41.42 ? ? ? ? ? . 10 ASN A OD1 1622 ATOM 105 N N . PHE A 1622 11 . -31.931 5.635 9.086 1.00 36.30 ? ? ? ? ? . 11 PHE A N 1622 ATOM 106 C CA . PHE A 1622 11 . -31.120 6.644 9.772 1.00 38.72 ? ? ? ? ? . 11 PHE A CA 1622 ATOM 107 C C . PHE A 1622 11 . -30.869 7.870 8.886 1.00 40.61 ? ? ? ? ? . 11 PHE A C 1622 ATOM 108 O O . PHE A 1622 11 . -29.819 8.505 9.018 1.00 42.19 ? ? ? ? ? . 11 PHE A O 1622 ATOM 109 C CB . PHE A 1622 11 . -29.797 6.059 10.274 1.00 37.05 ? ? ? ? ? . 11 PHE A CB 1622 ATOM 110 C CG . PHE A 1622 11 . -29.990 4.711 11.004 1.00 37.22 ? ? ? ? ? . 11 PHE A CG 1622 ATOM 111 C CD1 . PHE A 1622 11 . -30.634 4.657 12.247 1.00 43.79 ? ? ? ? ? . 11 PHE A CD1 1622 ATOM 112 C CD2 . PHE A 1622 11 . -29.592 3.526 10.394 1.00 37.64 ? ? ? ? ? . 11 PHE A CD2 1622 ATOM 113 C CE1 . PHE A 1622 11 . -30.855 3.425 12.895 1.00 41.42 ? ? ? ? ? . 11 PHE A CE1 1622 ATOM 114 C CE2 . PHE A 1622 11 . -29.814 2.311 11.058 1.00 41.05 ? ? ? ? ? . 11 PHE A CE2 1622 ATOM 115 C CZ . PHE A 1622 11 . -30.402 2.293 12.299 1.00 38.52 ? ? ? ? ? . 11 PHE A CZ 1622 ATOM 116 N N . GLY A 1622 12 . -31.804 8.137 7.978 1.00 37.03 ? ? ? ? ? . 12 GLY A N 1622 ATOM 117 C CA . GLY A 1622 12 . -31.672 9.215 7.017 1.00 39.16 ? ? ? ? ? . 12 GLY A CA 1622 ATOM 118 C C . GLY A 1622 12 . -30.979 8.844 5.715 1.00 38.75 ? ? ? ? ? . 12 GLY A C 1622 ATOM 119 O O . GLY A 1622 12 . -30.929 9.661 4.810 1.00 36.83 ? ? ? ? ? . 12 GLY A O 1622 ATOM 120 N N . GLN A 1622 13 . -30.511 7.600 5.556 1.00 32.47 ? ? ? ? ? . 13 GLN A N 1622 ATOM 121 C CA . GLN A 1622 13 . -29.883 7.161 4.376 1.00 35.12 ? ? ? ? ? . 13 GLN A CA 1622 ATOM 122 C C . GLN A 1622 13 . -30.788 7.087 3.197 1.00 36.94 ? ? ? ? ? . 13 GLN A C 1622 ATOM 123 O O . GLN A 1622 13 . -30.324 7.332 2.089 1.00 33.45 ? ? ? ? ? . 13 GLN A O 1622 ATOM 124 C CB . GLN A 1622 13 . -29.231 5.781 4.500 1.00 41.43 ? ? ? ? ? . 13 GLN A CB 1622 ATOM 125 C CG . GLN A 1622 13 . -27.990 5.673 5.320 1.00 47.61 ? ? ? ? ? . 13 GLN A CG 1622 ATOM 126 C CD . GLN A 1622 13 . -27.682 4.209 5.709 1.00 53.76 ? ? ? ? ? . 13 GLN A CD 1622 ATOM 127 N NE2 . GLN A 1622 13 . -26.915 4.122 6.745 1.00 52.45 ? ? ? ? ? . 13 GLN A NE2 1622 ATOM 128 O OE1 . GLN A 1622 13 . -28.204 3.162 5.137 1.00 51.37 ? ? ? ? ? . 13 GLN A OE1 1622 ATOM 129 N N . VAL A 1622 14 . -32.056 6.691 3.387 1.00 32.31 ? ? ? ? ? . 14 VAL A N 1622 ATOM 130 C CA . VAL A 1622 14 . -32.976 6.590 2.278 1.00 32.49 ? ? ? ? ? . 14 VAL A CA 1622 ATOM 131 C C . VAL A 1622 14 . -33.211 7.970 1.633 1.00 32.74 ? ? ? ? ? . 14 VAL A C 1622 ATOM 132 O O . VAL A 1622 14 . -33.131 8.082 0.446 1.00 32.14 ? ? ? ? ? . 14 VAL A O 1622 ATOM 133 C CB . VAL A 1622 14 . -34.325 5.999 2.734 1.00 34.64 ? ? ? ? ? . 14 VAL A CB 1622 ATOM 134 C CG1 . VAL A 1622 14 . -35.416 6.058 1.671 1.00 34.59 ? ? ? ? ? . 14 VAL A CG1 1622 ATOM 135 C CG2 . VAL A 1622 14 . -34.054 4.555 3.144 1.00 33.89 ? ? ? ? ? . 14 VAL A CG2 1622 ATOM 136 N N . VAL A 1622 15 . -33.538 8.956 2.458 1.00 32.00 ? ? ? ? ? . 15 VAL A N 1622 ATOM 137 C CA . VAL A 1622 15 . -33.790 10.288 1.948 1.00 36.55 ? ? ? ? ? . 15 VAL A CA 1622 ATOM 138 C C . VAL A 1622 15 . -32.482 10.856 1.351 1.00 31.88 ? ? ? ? ? . 15 VAL A C 1622 ATOM 139 O O . VAL A 1622 15 . -32.489 11.426 0.270 1.00 33.55 ? ? ? ? ? . 15 VAL A O 1622 ATOM 140 C CB . VAL A 1622 15 . -34.467 11.171 3.003 1.00 35.60 ? ? ? ? ? . 15 VAL A CB 1622 ATOM 141 C CG1 . VAL A 1622 15 . -34.598 12.640 2.542 1.00 41.45 ? ? ? ? ? . 15 VAL A CG1 1622 ATOM 142 C CG2 . VAL A 1622 15 . -35.853 10.639 3.286 1.00 42.76 ? ? ? ? ? . 15 VAL A CG2 1622 ATOM 143 N N . ALA A 1622 16 . -31.343 10.637 1.990 1.00 32.71 ? ? ? ? ? . 16 ALA A N 1622 ATOM 144 C CA . ALA A 1622 16 . -30.102 11.115 1.429 1.00 34.79 ? ? ? ? ? . 16 ALA A CA 1622 ATOM 145 C C . ALA A 1622 16 . -29.843 10.529 0.064 1.00 38.36 ? ? ? ? ? . 16 ALA A C 1622 ATOM 146 O O . ALA A 1622 16 . -29.461 11.245 -0.864 1.00 35.78 ? ? ? ? ? . 16 ALA A O 1622 ATOM 147 C CB . ALA A 1622 16 . -28.923 10.855 2.370 1.00 36.18 ? ? ? ? ? . 16 ALA A CB 1622 ATOM 148 N N . ASP A 1622 17 . -30.049 9.220 -0.109 1.00 32.62 ? ? ? ? ? . 17 ASP A N 1622 ATOM 149 C CA . ASP A 1622 17 . -29.810 8.578 -1.392 1.00 34.19 ? ? ? ? ? . 17 ASP A CA 1622 ATOM 150 C C . ASP A 1622 17 . -30.763 9.025 -2.443 1.00 33.93 ? ? ? ? ? . 17 ASP A C 1622 ATOM 151 O O . ASP A 1622 17 . -30.375 9.227 -3.568 1.00 33.71 ? ? ? ? ? . 17 ASP A O 1622 ATOM 152 C CB . ASP A 1622 17 . -29.902 7.064 -1.232 1.00 35.91 ? ? ? ? ? . 17 ASP A CB 1622 ATOM 153 C CG . ASP A 1622 17 . -28.729 6.499 -0.486 1.00 46.42 ? ? ? ? ? . 17 ASP A CG 1622 ATOM 154 O OD1 . ASP A 1622 17 . -27.688 7.180 -0.402 1.00 49.44 ? ? ? ? ? . 17 ASP A OD1 1622 ATOM 155 O OD2 . ASP A 1622 17 . -28.849 5.372 0.031 1.00 51.86 ? ? ? ? ? 1- 17 ASP A OD2 1622 ATOM 156 N N . VAL A 1622 18 . -32.034 9.184 -2.088 1.00 34.21 ? ? ? ? ? . 18 VAL A N 1622 ATOM 157 C CA . VAL A 1622 18 . -33.000 9.587 -3.024 1.00 33.98 ? ? ? ? ? . 18 VAL A CA 1622 ATOM 158 C C . VAL A 1622 18 . -32.689 11.064 -3.473 1.00 36.50 ? ? ? ? ? . 18 VAL A C 1622 ATOM 159 O O . VAL A 1622 18 . -32.804 11.368 -4.623 1.00 36.01 ? ? ? ? ? . 18 VAL A O 1622 ATOM 160 C CB . VAL A 1622 18 . -34.407 9.549 -2.402 1.00 36.46 ? ? ? ? ? . 18 VAL A CB 1622 ATOM 161 C CG1 . VAL A 1622 18 . -35.381 10.396 -3.145 1.00 37.64 ? ? ? ? ? . 18 VAL A CG1 1622 ATOM 162 C CG2 . VAL A 1622 18 . -34.948 8.113 -2.296 1.00 38.50 ? ? ? ? ? . 18 VAL A CG2 1622 ATOM 163 N N . LEU A 1622 19 . -32.330 11.901 -2.528 1.00 33.60 ? ? ? ? ? . 19 LEU A N 1622 ATOM 164 C CA . LEU A 1622 19 . -31.984 13.322 -2.808 1.00 34.42 ? ? ? ? ? . 19 LEU A CA 1622 ATOM 165 C C . LEU A 1622 19 . -30.734 13.404 -3.641 1.00 31.38 ? ? ? ? ? . 19 LEU A C 1622 ATOM 166 O O . LEU A 1622 19 . -30.696 14.224 -4.534 1.00 31.80 ? ? ? ? ? . 19 LEU A O 1622 ATOM 167 C CB . LEU A 1622 19 . -31.853 14.150 -1.548 1.00 35.22 ? ? ? ? ? . 19 LEU A CB 1622 ATOM 168 C CG . LEU A 1622 19 . -33.142 14.743 -1.039 1.00 40.73 ? ? ? ? ? . 19 LEU A CG 1622 ATOM 169 C CD1 . LEU A 1622 19 . -32.882 15.380 0.290 1.00 38.21 ? ? ? ? ? . 19 LEU A CD1 1622 ATOM 170 C CD2 . LEU A 1622 19 . -33.772 15.754 -1.995 1.00 45.98 ? ? ? ? ? . 19 LEU A CD2 1622 ATOM 171 N N . CYS A 1622 20 . -29.725 12.594 -3.377 1.00 32.81 ? ? ? ? ? . 20 CYS A N 1622 ATOM 172 C CA . CYS A 1622 20 . -28.511 12.656 -4.188 1.00 34.75 ? ? ? ? ? . 20 CYS A CA 1622 ATOM 173 C C . CYS A 1622 20 . -28.751 12.181 -5.629 1.00 38.59 ? ? ? ? ? . 20 CYS A C 1622 ATOM 174 O O . CYS A 1622 20 . -28.284 12.791 -6.542 1.00 33.85 ? ? ? ? ? . 20 CYS A O 1622 ATOM 175 C CB . CYS A 1622 20 . -27.369 11.887 -3.570 1.00 32.94 ? ? ? ? ? . 20 CYS A CB 1622 ATOM 176 S SG . CYS A 1622 20 . -26.744 12.789 -2.084 1.00 38.32 ? ? ? ? ? . 20 CYS A SG 1622 ATOM 177 N N . GLU A 1622 21 . -29.599 11.170 -5.818 1.00 32.47 ? ? ? ? ? . 21 GLU A N 1622 ATOM 178 C CA . GLU A 1622 21 . -30.009 10.727 -7.144 1.00 34.33 ? ? ? ? ? . 21 GLU A CA 1622 ATOM 179 C C . GLU A 1622 21 . -30.739 11.838 -7.867 1.00 33.69 ? ? ? ? ? . 21 GLU A C 1622 ATOM 180 O O . GLU A 1622 21 . -30.411 12.128 -9.023 1.00 34.83 ? ? ? ? ? . 21 GLU A O 1622 ATOM 181 C CB . GLU A 1622 21 . -30.888 9.474 -7.034 1.00 40.32 ? ? ? ? ? . 21 GLU A CB 1622 ATOM 182 C CG . GLU A 1622 21 . -31.579 9.003 -8.307 1.00 39.58 ? ? ? ? ? . 21 GLU A CG 1622 ATOM 183 C CD . GLU A 1622 21 . -32.626 7.873 -8.001 1.00 43.91 ? ? ? ? ? . 21 GLU A CD 1622 ATOM 184 O OE1 . GLU A 1622 21 . -33.573 8.047 -7.229 1.00 49.05 ? ? ? ? ? . 21 GLU A OE1 1622 ATOM 185 O OE2 . GLU A 1622 21 . -32.484 6.813 -8.553 1.00 44.99 ? ? ? ? ? 1- 21 GLU A OE2 1622 ATOM 186 N N . PHE A 1622 22 . -31.673 12.440 -7.165 1.00 32.61 ? ? ? ? ? . 22 PHE A N 1622 ATOM 187 C CA . PHE A 1622 22 . -32.424 13.558 -7.673 1.00 33.10 ? ? ? ? ? . 22 PHE A CA 1622 ATOM 188 C C . PHE A 1622 22 . -31.512 14.773 -7.992 1.00 31.56 ? ? ? ? ? . 22 PHE A C 1622 ATOM 189 O O . PHE A 1622 22 . -31.603 15.305 -9.077 1.00 32.57 ? ? ? ? ? . 22 PHE A O 1622 ATOM 190 C CB . PHE A 1622 22 . -33.464 13.987 -6.701 1.00 31.99 ? ? ? ? ? . 22 PHE A CB 1622 ATOM 191 C CG . PHE A 1622 22 . -34.177 15.246 -7.086 1.00 33.01 ? ? ? ? ? . 22 PHE A CG 1622 ATOM 192 C CD1 . PHE A 1622 22 . -35.063 15.261 -8.145 1.00 35.11 ? ? ? ? ? . 22 PHE A CD1 1622 ATOM 193 C CD2 . PHE A 1622 22 . -33.912 16.439 -6.408 1.00 35.49 ? ? ? ? ? . 22 PHE A CD2 1622 ATOM 194 C CE1 . PHE A 1622 22 . -35.720 16.457 -8.487 1.00 35.04 ? ? ? ? ? . 22 PHE A CE1 1622 ATOM 195 C CE2 . PHE A 1622 22 . -34.529 17.629 -6.751 1.00 37.75 ? ? ? ? ? . 22 PHE A CE2 1622 ATOM 196 C CZ . PHE A 1622 22 . -35.444 17.638 -7.804 1.00 38.60 ? ? ? ? ? . 22 PHE A CZ 1622 ATOM 197 N N . LEU A 1622 23 . -30.662 15.154 -7.078 1.00 33.59 ? ? ? ? ? . 23 LEU A N 1622 ATOM 198 C CA . LEU A 1622 23 . -29.790 16.324 -7.324 1.00 31.27 ? ? ? ? ? . 23 LEU A CA 1622 ATOM 199 C C . LEU A 1622 23 . -28.881 16.150 -8.494 1.00 32.43 ? ? ? ? ? . 23 LEU A C 1622 ATOM 200 O O . LEU A 1622 23 . -28.640 17.085 -9.235 1.00 30.08 ? ? ? ? ? . 23 LEU A O 1622 ATOM 201 C CB . LEU A 1622 23 . -29.070 16.689 -6.045 1.00 31.38 ? ? ? ? ? . 23 LEU A CB 1622 ATOM 202 C CG . LEU A 1622 23 . -29.949 17.321 -4.988 1.00 32.76 ? ? ? ? ? . 23 LEU A CG 1622 ATOM 203 C CD1 . LEU A 1622 23 . -29.165 17.334 -3.679 1.00 35.93 ? ? ? ? ? . 23 LEU A CD1 1622 ATOM 204 C CD2 . LEU A 1622 23 . -30.452 18.739 -5.350 1.00 37.62 ? ? ? ? ? . 23 LEU A CD2 1622 ATOM 205 N N . GLU A 1622 24 . -28.410 14.925 -8.739 1.00 32.34 ? ? ? ? ? . 24 GLU A N 1622 ATOM 206 C CA . GLU A 1622 24 . -27.513 14.666 -9.847 1.00 34.63 ? ? ? ? ? . 24 GLU A CA 1622 ATOM 207 C C . GLU A 1622 24 . -28.261 14.944 -11.171 1.00 35.12 ? ? ? ? ? . 24 GLU A C 1622 ATOM 208 O O . GLU A 1622 24 . -27.785 15.661 -12.048 1.00 31.87 ? ? ? ? ? . 24 GLU A O 1622 ATOM 209 C CB . GLU A 1622 24 . -27.018 13.234 -9.831 1.00 32.84 ? ? ? ? ? . 24 GLU A CB 1622 ATOM 210 C CG . GLU A 1622 24 . -26.047 12.966 -10.966 1.00 38.62 ? ? ? ? ? . 24 GLU A CG 1622 ATOM 211 C CD . GLU A 1622 24 . -25.527 11.553 -11.003 1.00 51.85 ? ? ? ? ? . 24 GLU A CD 1622 ATOM 212 O OE1 . GLU A 1622 24 . -26.295 10.633 -10.662 1.00 48.23 ? ? ? ? ? . 24 GLU A OE1 1622 ATOM 213 O OE2 . GLU A 1622 24 . -24.365 11.386 -11.377 1.00 47.22 ? ? ? ? ? 1- 24 GLU A OE2 1622 ATOM 214 N N . VAL A 1622 25 . -29.499 14.441 -11.282 1.00 31.23 ? ? ? ? ? . 25 VAL A N 1622 ATOM 215 C CA . VAL A 1622 25 . -30.250 14.609 -12.490 1.00 31.88 ? ? ? ? ? . 25 VAL A CA 1622 ATOM 216 C C . VAL A 1622 25 . -30.643 16.089 -12.665 1.00 34.09 ? ? ? ? ? . 25 VAL A C 1622 ATOM 217 O O . VAL A 1622 25 . -30.563 16.636 -13.764 1.00 32.66 ? ? ? ? ? . 25 VAL A O 1622 ATOM 218 C CB . VAL A 1622 25 . -31.512 13.691 -12.451 1.00 35.52 ? ? ? ? ? . 25 VAL A CB 1622 ATOM 219 C CG1 . VAL A 1622 25 . -32.446 14.061 -13.560 1.00 37.98 ? ? ? ? ? . 25 VAL A CG1 1622 ATOM 220 C CG2 . VAL A 1622 25 . -31.037 12.214 -12.493 1.00 36.98 ? ? ? ? ? . 25 VAL A CG2 1622 ATOM 221 N N . ALA A 1622 26 . -30.999 16.715 -11.598 1.00 30.33 ? ? ? ? ? . 26 ALA A N 1622 ATOM 222 C CA . ALA A 1622 26 . -31.396 18.167 -11.654 1.00 30.27 ? ? ? ? ? . 26 ALA A CA 1622 ATOM 223 C C . ALA A 1622 26 . -30.215 19.069 -12.023 1.00 30.00 ? ? ? ? ? . 26 ALA A C 1622 ATOM 224 O O . ALA A 1622 26 . -30.350 19.984 -12.848 1.00 33.46 ? ? ? ? ? . 26 ALA A O 1622 ATOM 225 C CB . ALA A 1622 26 . -31.971 18.593 -10.336 1.00 31.28 ? ? ? ? ? . 26 ALA A CB 1622 ATOM 226 N N . VAL A 1622 27 . -29.052 18.788 -11.469 1.00 30.59 ? ? ? ? ? . 27 VAL A N 1622 ATOM 227 C CA . VAL A 1622 27 . -27.857 19.544 -11.785 1.00 29.17 ? ? ? ? ? . 27 VAL A CA 1622 ATOM 228 C C . VAL A 1622 27 . -27.537 19.382 -13.286 1.00 32.02 ? ? ? ? ? . 27 VAL A C 1622 ATOM 229 O O . VAL A 1622 27 . -27.311 20.379 -13.971 1.00 30.59 ? ? ? ? ? . 27 VAL A O 1622 ATOM 230 C CB . VAL A 1622 27 . -26.625 19.151 -10.948 1.00 30.84 ? ? ? ? ? . 27 VAL A CB 1622 ATOM 231 C CG1 . VAL A 1622 27 . -25.367 19.766 -11.493 1.00 33.00 ? ? ? ? ? . 27 VAL A CG1 1622 ATOM 232 C CG2 . VAL A 1622 27 . -26.843 19.475 -9.504 1.00 33.04 ? ? ? ? ? . 27 VAL A CG2 1622 ATOM 233 N N . HIS A 1622 28 . -27.457 18.144 -13.784 1.00 30.98 ? ? ? ? ? . 28 HIS A N 1622 ATOM 234 C CA . HIS A 1622 28 . -27.257 17.964 -15.200 1.00 30.75 ? ? ? ? ? . 28 HIS A CA 1622 ATOM 235 C C . HIS A 1622 28 . -28.280 18.744 -16.052 1.00 32.41 ? ? ? ? ? . 28 HIS A C 1622 ATOM 236 O O . HIS A 1622 28 . -27.914 19.396 -17.057 1.00 31.26 ? ? ? ? ? . 28 HIS A O 1622 ATOM 237 C CB . HIS A 1622 28 . -27.306 16.512 -15.597 1.00 30.00 ? ? ? ? ? . 28 HIS A CB 1622 ATOM 238 C CG . HIS A 1622 28 . -26.089 15.750 -15.246 1.00 30.40 ? ? ? ? ? . 28 HIS A CG 1622 ATOM 239 C CD2 . HIS A 1622 28 . -25.541 15.412 -14.056 1.00 31.73 ? ? ? ? ? . 28 HIS A CD2 1622 ATOM 240 N ND1 . HIS A 1622 28 . -25.288 15.194 -16.207 1.00 35.70 ? ? ? ? ? . 28 HIS A ND1 1622 ATOM 241 C CE1 . HIS A 1622 28 . -24.318 14.506 -15.643 1.00 35.38 ? ? ? ? ? . 28 HIS A CE1 1622 ATOM 242 N NE2 . HIS A 1622 28 . -24.451 14.616 -14.328 1.00 32.96 ? ? ? ? ? . 28 HIS A NE2 1622 ATOM 243 N N . LEU A 1622 29 . -29.553 18.681 -15.670 1.00 30.73 ? ? ? ? ? . 29 LEU A N 1622 ATOM 244 C CA . LEU A 1622 29 . -30.534 19.357 -16.468 1.00 31.36 ? ? ? ? ? . 29 LEU A CA 1622 ATOM 245 C C . LEU A 1622 29 . -30.370 20.854 -16.428 1.00 31.66 ? ? ? ? ? . 29 LEU A C 1622 ATOM 246 O O . LEU A 1622 29 . -30.580 21.521 -17.439 1.00 32.70 ? ? ? ? ? . 29 LEU A O 1622 ATOM 247 C CB . LEU A 1622 29 . -31.940 18.990 -16.014 1.00 29.99 ? ? ? ? ? . 29 LEU A CB 1622 ATOM 248 C CG . LEU A 1622 29 . -33.051 19.480 -16.884 1.00 32.07 ? ? ? ? ? . 29 LEU A CG 1622 ATOM 249 C CD1 . LEU A 1622 29 . -32.908 18.964 -18.318 1.00 36.45 ? ? ? ? ? . 29 LEU A CD1 1622 ATOM 250 C CD2 . LEU A 1622 29 . -34.331 18.930 -16.350 1.00 33.83 ? ? ? ? ? . 29 LEU A CD2 1622 ATOM 251 N N . ILE A 1622 30 . -30.033 21.393 -15.261 1.00 31.25 ? ? ? ? ? . 30 ILE A N 1622 ATOM 252 C CA . ILE A 1622 30 . -29.710 22.818 -15.145 1.00 31.47 ? ? ? ? ? . 30 ILE A CA 1622 ATOM 253 C C . ILE A 1622 30 . -28.605 23.230 -16.099 1.00 33.19 ? ? ? ? ? . 30 ILE A C 1622 ATOM 254 O O . ILE A 1622 30 . -28.703 24.272 -16.744 1.00 33.40 ? ? ? ? ? . 30 ILE A O 1622 ATOM 255 C CB . ILE A 1622 30 . -29.417 23.220 -13.692 1.00 31.09 ? ? ? ? ? . 30 ILE A CB 1622 ATOM 256 C CG1 . ILE A 1622 30 . -30.707 23.169 -12.875 1.00 29.61 ? ? ? ? ? . 30 ILE A CG1 1622 ATOM 257 C CG2 . ILE A 1622 30 . -28.776 24.630 -13.616 1.00 34.36 ? ? ? ? ? . 30 ILE A CG2 1622 ATOM 258 C CD1 . ILE A 1622 30 . -30.465 23.085 -11.367 1.00 31.15 ? ? ? ? ? . 30 ILE A CD1 1622 ATOM 259 N N . LEU A 1622 31 . -27.497 22.479 -16.078 1.00 30.84 ? ? ? ? ? . 31 LEU A N 1622 ATOM 260 C CA . LEU A 1622 31 . -26.381 22.790 -16.890 1.00 30.01 ? ? ? ? ? . 31 LEU A CA 1622 ATOM 261 C C . LEU A 1622 31 . -26.743 22.774 -18.357 1.00 31.28 ? ? ? ? ? . 31 LEU A C 1622 ATOM 262 O O . LEU A 1622 31 . -26.265 23.571 -19.133 1.00 31.65 ? ? ? ? ? . 31 LEU A O 1622 ATOM 263 C CB . LEU A 1622 31 . -25.205 21.786 -16.592 1.00 30.48 ? ? ? ? ? . 31 LEU A CB 1622 ATOM 264 C CG . LEU A 1622 31 . -24.710 21.691 -15.162 1.00 29.35 ? ? ? ? ? . 31 LEU A CG 1622 ATOM 265 C CD1 . LEU A 1622 31 . -23.594 20.708 -15.033 1.00 31.94 ? ? ? ? ? . 31 LEU A CD1 1622 ATOM 266 C CD2 . LEU A 1622 31 . -24.179 23.061 -14.746 1.00 35.31 ? ? ? ? ? . 31 LEU A CD2 1622 ATOM 267 N N . TYR A 1622 32 . -27.702 21.911 -18.749 1.00 28.30 ? ? ? ? ? . 32 TYR A N 1622 ATOM 268 C CA . TYR A 1622 32 . -28.136 21.853 -20.108 1.00 30.34 ? ? ? ? ? . 32 TYR A CA 1622 ATOM 269 C C . TYR A 1622 32 . -28.975 23.062 -20.485 1.00 32.69 ? ? ? ? ? . 32 TYR A C 1622 ATOM 270 O O . TYR A 1622 32 . -28.700 23.683 -21.519 1.00 32.56 ? ? ? ? ? . 32 TYR A O 1622 ATOM 271 C CB . TYR A 1622 32 . -28.954 20.576 -20.342 1.00 32.25 ? ? ? ? ? . 32 TYR A CB 1622 ATOM 272 C CG . TYR A 1622 32 . -29.532 20.483 -21.729 1.00 32.10 ? ? ? ? ? . 32 TYR A CG 1622 ATOM 273 C CD1 . TYR A 1622 32 . -28.746 20.211 -22.836 1.00 35.77 ? ? ? ? ? . 32 TYR A CD1 1622 ATOM 274 C CD2 . TYR A 1622 32 . -30.866 20.705 -21.930 1.00 36.14 ? ? ? ? ? . 32 TYR A CD2 1622 ATOM 275 C CE1 . TYR A 1622 32 . -29.310 20.123 -24.097 1.00 35.41 ? ? ? ? ? . 32 TYR A CE1 1622 ATOM 276 C CE2 . TYR A 1622 32 . -31.433 20.607 -23.190 1.00 37.99 ? ? ? ? ? . 32 TYR A CE2 1622 ATOM 277 C CZ . TYR A 1622 32 . -30.667 20.359 -24.253 1.00 38.03 ? ? ? ? ? . 32 TYR A CZ 1622 ATOM 278 O OH . TYR A 1622 32 . -31.251 20.311 -25.494 1.00 37.40 ? ? ? ? ? . 32 TYR A OH 1622 ATOM 279 N N . VAL A 1622 33 . -30.051 23.261 -19.755 1.00 30.73 ? ? ? ? ? . 33 VAL A N 1622 ATOM 280 C CA . VAL A 1622 33 . -31.019 24.292 -20.134 1.00 32.26 ? ? ? ? ? . 33 VAL A CA 1622 ATOM 281 C C . VAL A 1622 33 . -30.446 25.678 -20.081 1.00 33.87 ? ? ? ? ? . 33 VAL A C 1622 ATOM 282 O O . VAL A 1622 33 . -30.770 26.500 -20.926 1.00 34.80 ? ? ? ? ? . 33 VAL A O 1622 ATOM 283 C CB . VAL A 1622 33 . -32.330 24.195 -19.403 1.00 31.78 ? ? ? ? ? . 33 VAL A CB 1622 ATOM 284 C CG1 . VAL A 1622 33 . -33.021 22.837 -19.637 1.00 34.53 ? ? ? ? ? . 33 VAL A CG1 1622 ATOM 285 C CG2 . VAL A 1622 33 . -32.253 24.579 -17.927 1.00 31.86 ? ? ? ? ? . 33 VAL A CG2 1622 ATOM 286 N N . ARG A 1622 34 . -29.497 25.906 -19.162 1.00 31.01 ? ? ? ? ? . 34 ARG A N 1622 ATOM 287 C CA . ARG A 1622 34 . -28.798 27.179 -19.033 1.00 35.16 ? ? ? ? ? . 34 ARG A CA 1622 ATOM 288 C C . ARG A 1622 34 . -27.572 27.287 -19.873 1.00 39.03 ? ? ? ? ? . 34 ARG A C 1622 ATOM 289 O O . ARG A 1622 34 . -26.881 28.306 -19.849 1.00 38.33 ? ? ? ? ? . 34 ARG A O 1622 ATOM 290 C CB . ARG A 1622 34 . -28.523 27.464 -17.576 1.00 36.69 ? ? ? ? ? . 34 ARG A CB 1622 ATOM 291 C CG . ARG A 1622 34 . -29.706 27.396 -16.644 1.00 34.54 ? ? ? ? ? . 34 ARG A CG 1622 ATOM 292 C CD . ARG A 1622 34 . -30.943 28.221 -17.053 1.00 36.94 ? ? ? ? ? . 34 ARG A CD 1622 ATOM 293 N NE . ARG A 1622 34 . -30.667 29.670 -16.994 1.00 39.14 ? ? ? ? ? . 34 ARG A NE 1622 ATOM 294 C CZ . ARG A 1622 34 . -31.231 30.599 -17.783 1.00 39.86 ? ? ? ? ? . 34 ARG A CZ 1622 ATOM 295 N NH1 . ARG A 1622 34 . -32.080 30.277 -18.742 1.00 44.12 ? ? ? ? ? 1+ 34 ARG A NH1 1622 ATOM 296 N NH2 . ARG A 1622 34 . -30.937 31.886 -17.590 1.00 42.64 ? ? ? ? ? . 34 ARG A NH2 1622 ATOM 297 N N . GLU A 1622 35 . -27.265 26.242 -20.616 1.00 35.75 ? ? ? ? ? . 35 GLU A N 1622 ATOM 298 C CA . GLU A 1622 35 . -26.166 26.226 -21.522 1.00 37.36 ? ? ? ? ? . 35 GLU A CA 1622 ATOM 299 C C . GLU A 1622 35 . -24.828 26.584 -20.851 1.00 36.37 ? ? ? ? ? . 35 GLU A C 1622 ATOM 300 O O . GLU A 1622 35 . -24.014 27.351 -21.376 1.00 34.81 ? ? ? ? ? . 35 GLU A O 1622 ATOM 301 C CB . GLU A 1622 35 . -26.463 27.089 -22.761 1.00 39.36 ? ? ? ? ? . 35 GLU A CB 1622 ATOM 302 C CG . GLU A 1622 35 . -27.603 26.454 -23.552 1.00 41.93 ? ? ? ? ? . 35 GLU A CG 1622 ATOM 303 C CD . GLU A 1622 35 . -27.879 27.199 -24.849 1.00 45.82 ? ? ? ? ? . 35 GLU A CD 1622 ATOM 304 O OE1 . GLU A 1622 35 . -27.090 28.066 -25.202 1.00 43.80 ? ? ? ? ? . 35 GLU A OE1 1622 ATOM 305 O OE2 . GLU A 1622 35 . -28.911 26.994 -25.455 1.00 39.02 ? ? ? ? ? 1- 35 GLU A OE2 1622 ATOM 306 N N . VAL A 1622 36 . -24.593 25.951 -19.713 1.00 36.55 ? ? ? ? ? . 36 VAL A N 1622 ATOM 307 C CA . VAL A 1622 36 . -23.346 26.121 -18.999 1.00 34.14 ? ? ? ? ? . 36 VAL A CA 1622 ATOM 308 C C . VAL A 1622 36 . -22.256 25.360 -19.726 1.00 36.90 ? ? ? ? ? . 36 VAL A C 1622 ATOM 309 O O . VAL A 1622 36 . -21.076 25.697 -19.655 1.00 38.38 ? ? ? ? ? . 36 VAL A O 1622 ATOM 310 C CB . VAL A 1622 36 . -23.526 25.673 -17.514 1.00 35.00 ? ? ? ? ? . 36 VAL A CB 1622 ATOM 311 C CG1 . VAL A 1622 36 . -22.235 25.826 -16.753 1.00 37.38 ? ? ? ? ? . 36 VAL A CG1 1622 ATOM 312 C CG2 . VAL A 1622 36 . -24.637 26.488 -16.881 1.00 36.08 ? ? ? ? ? . 36 VAL A CG2 1622 ATOM 313 N N . TYR A 1622 37 . -22.656 24.312 -20.406 1.00 35.63 ? ? ? ? ? . 37 TYR A N 1622 ATOM 314 C CA . TYR A 1622 37 . -21.787 23.505 -21.251 1.00 37.73 ? ? ? ? ? . 37 TYR A CA 1622 ATOM 315 C C . TYR A 1622 37 . -22.380 23.331 -22.640 1.00 38.45 ? ? ? ? ? . 37 TYR A C 1622 ATOM 316 O O . TYR A 1622 37 . -23.587 23.415 -22.773 1.00 37.56 ? ? ? ? ? . 37 TYR A O 1622 ATOM 317 C CB . TYR A 1622 37 . -21.587 22.142 -20.590 1.00 34.39 ? ? ? ? ? . 37 TYR A CB 1622 ATOM 318 C CG . TYR A 1622 37 . -20.735 22.261 -19.303 1.00 35.27 ? ? ? ? ? . 37 TYR A CG 1622 ATOM 319 C CD1 . TYR A 1622 37 . -19.358 22.449 -19.372 1.00 35.55 ? ? ? ? ? . 37 TYR A CD1 1622 ATOM 320 C CD2 . TYR A 1622 37 . -21.297 22.267 -18.058 1.00 37.66 ? ? ? ? ? . 37 TYR A CD2 1622 ATOM 321 C CE1 . TYR A 1622 37 . -18.589 22.552 -18.239 1.00 34.90 ? ? ? ? ? . 37 TYR A CE1 1622 ATOM 322 C CE2 . TYR A 1622 37 . -20.504 22.394 -16.920 1.00 36.59 ? ? ? ? ? . 37 TYR A CE2 1622 ATOM 323 C CZ . TYR A 1622 37 . -19.155 22.537 -17.041 1.00 32.95 ? ? ? ? ? . 37 TYR A CZ 1622 ATOM 324 O OH . TYR A 1622 37 . -18.433 22.677 -15.922 1.00 33.33 ? ? ? ? ? . 37 TYR A OH 1622 ATOM 325 N N . PRO A 1622 38 . -21.536 23.056 -23.664 1.00 38.24 ? ? ? ? ? . 38 PRO A N 1622 ATOM 326 C CA . PRO A 1622 38 . -22.110 22.812 -24.992 1.00 44.05 ? ? ? ? ? . 38 PRO A CA 1622 ATOM 327 C C . PRO A 1622 38 . -23.164 21.690 -25.001 1.00 41.82 ? ? ? ? ? . 38 PRO A C 1622 ATOM 328 O O . PRO A 1622 38 . -22.987 20.653 -24.384 1.00 38.47 ? ? ? ? ? . 38 PRO A O 1622 ATOM 329 C CB . PRO A 1622 38 . -20.903 22.435 -25.834 1.00 44.38 ? ? ? ? ? . 38 PRO A CB 1622 ATOM 330 C CG . PRO A 1622 38 . -19.914 21.893 -24.900 1.00 48.89 ? ? ? ? ? . 38 PRO A CG 1622 ATOM 331 C CD . PRO A 1622 38 . -20.111 22.674 -23.607 1.00 44.93 ? ? ? ? ? . 38 PRO A CD 1622 ATOM 332 N N . VAL A 1622 39 . -24.267 21.914 -25.679 1.00 40.05 ? ? ? ? ? . 39 VAL A N 1622 ATOM 333 C CA . VAL A 1622 39 . -25.371 20.945 -25.721 1.00 42.88 ? ? ? ? ? . 39 VAL A CA 1622 ATOM 334 C C . VAL A 1622 39 . -24.927 19.552 -26.217 1.00 40.56 ? ? ? ? ? . 39 VAL A C 1622 ATOM 335 O O . VAL A 1622 39 . -25.480 18.501 -25.852 1.00 35.34 ? ? ? ? ? . 39 VAL A O 1622 ATOM 336 C CB . VAL A 1622 39 . -26.511 21.448 -26.601 1.00 46.52 ? ? ? ? ? . 39 VAL A CB 1622 ATOM 337 C CG1 . VAL A 1622 39 . -26.987 22.784 -26.107 1.00 52.19 ? ? ? ? ? . 39 VAL A CG1 1622 ATOM 338 C CG2 . VAL A 1622 39 . -26.031 21.569 -28.057 1.00 48.27 ? ? ? ? ? . 39 VAL A CG2 1622 ATOM 339 N N . GLY A 1622 40 . -23.905 19.531 -27.069 1.00 37.46 ? ? ? ? ? . 40 GLY A N 1622 ATOM 340 C CA . GLY A 1622 40 . -23.408 18.244 -27.575 1.00 35.42 ? ? ? ? ? . 40 GLY A CA 1622 ATOM 341 C C . GLY A 1622 40 . -22.906 17.213 -26.600 1.00 38.07 ? ? ? ? ? . 40 GLY A C 1622 ATOM 342 O O . GLY A 1622 40 . -22.778 16.006 -26.962 1.00 36.91 ? ? ? ? ? . 40 GLY A O 1622 ATOM 343 N N . ILE A 1622 41 . -22.617 17.586 -25.333 1.00 34.36 ? ? ? ? ? . 41 ILE A N 1622 ATOM 344 C CA . ILE A 1622 41 . -22.254 16.557 -24.367 1.00 37.49 ? ? ? ? ? . 41 ILE A CA 1622 ATOM 345 C C . ILE A 1622 41 . -23.426 15.903 -23.681 1.00 38.76 ? ? ? ? ? . 41 ILE A C 1622 ATOM 346 O O . ILE A 1622 41 . -23.251 14.928 -22.962 1.00 39.42 ? ? ? ? ? . 41 ILE A O 1622 ATOM 347 C CB . ILE A 1622 41 . -21.271 17.026 -23.266 1.00 40.63 ? ? ? ? ? . 41 ILE A CB 1622 ATOM 348 C CG1 . ILE A 1622 41 . -21.909 18.064 -22.331 1.00 36.76 ? ? ? ? ? . 41 ILE A CG1 1622 ATOM 349 C CG2 . ILE A 1622 41 . -20.067 17.660 -23.923 1.00 41.22 ? ? ? ? ? . 41 ILE A CG2 1622 ATOM 350 C CD1 . ILE A 1622 41 . -21.165 18.134 -21.017 1.00 37.77 ? ? ? ? ? . 41 ILE A CD1 1622 ATOM 351 N N . PHE A 1622 42 . -24.633 16.429 -23.892 1.00 34.42 ? ? ? ? ? . 42 PHE A N 1622 ATOM 352 C CA . PHE A 1622 42 . -25.739 15.896 -23.161 1.00 33.01 ? ? ? ? ? . 42 PHE A CA 1622 ATOM 353 C C . PHE A 1622 42 . -26.481 14.930 -24.028 1.00 32.47 ? ? ? ? ? . 42 PHE A C 1622 ATOM 354 O O . PHE A 1622 42 . -26.755 15.189 -25.210 1.00 33.42 ? ? ? ? ? . 42 PHE A O 1622 ATOM 355 C CB . PHE A 1622 42 . -26.661 17.039 -22.721 1.00 35.28 ? ? ? ? ? . 42 PHE A CB 1622 ATOM 356 C CG . PHE A 1622 42 . -26.012 17.972 -21.738 1.00 33.01 ? ? ? ? ? . 42 PHE A CG 1622 ATOM 357 C CD1 . PHE A 1622 42 . -26.151 17.737 -20.400 1.00 33.02 ? ? ? ? ? . 42 PHE A CD1 1622 ATOM 358 C CD2 . PHE A 1622 42 . -25.330 19.130 -22.179 1.00 33.61 ? ? ? ? ? . 42 PHE A CD2 1622 ATOM 359 C CE1 . PHE A 1622 42 . -25.596 18.600 -19.462 1.00 32.05 ? ? ? ? ? . 42 PHE A CE1 1622 ATOM 360 C CE2 . PHE A 1622 42 . -24.797 20.012 -21.277 1.00 32.13 ? ? ? ? ? . 42 PHE A CE2 1622 ATOM 361 C CZ . PHE A 1622 42 . -24.923 19.747 -19.898 1.00 29.76 ? ? ? ? ? . 42 PHE A CZ 1622 ATOM 362 N N . GLN A 1622 43 . -26.866 13.829 -23.415 1.00 32.33 ? ? ? ? ? . 43 GLN A N 1622 ATOM 363 C CA . GLN A 1622 43 . -27.723 12.856 -24.044 1.00 30.89 ? ? ? ? ? . 43 GLN A CA 1622 ATOM 364 C C . GLN A 1622 43 . -29.088 12.784 -23.381 1.00 31.98 ? ? ? ? ? . 43 GLN A C 1622 ATOM 365 O O . GLN A 1622 43 . -29.202 12.904 -22.182 1.00 35.44 ? ? ? ? ? . 43 GLN A O 1622 ATOM 366 C CB . GLN A 1622 43 . -27.066 11.475 -23.954 1.00 34.61 ? ? ? ? ? . 43 GLN A CB 1622 ATOM 367 C CG . GLN A 1622 43 . -25.781 11.494 -24.799 1.00 39.91 ? ? ? ? ? . 43 GLN A CG 1622 ATOM 368 C CD . GLN A 1622 43 . -24.992 10.187 -24.843 1.00 46.75 ? ? ? ? ? . 43 GLN A CD 1622 ATOM 369 N NE2 . GLN A 1622 43 . -23.865 10.216 -25.603 1.00 52.33 ? ? ? ? ? . 43 GLN A NE2 1622 ATOM 370 O OE1 . GLN A 1622 43 . -25.360 9.182 -24.217 1.00 47.55 ? ? ? ? ? . 43 GLN A OE1 1622 ATOM 371 N N . LYS A 1622 44 . -30.095 12.436 -24.158 1.00 33.31 ? ? ? ? ? . 44 LYS A N 1622 ATOM 372 C CA . LYS A 1622 44 . -31.409 12.263 -23.684 1.00 35.09 ? ? ? ? ? . 44 LYS A CA 1622 ATOM 373 C C . LYS A 1622 44 . -31.607 10.895 -22.996 1.00 36.56 ? ? ? ? ? . 44 LYS A C 1622 ATOM 374 O O . LYS A 1622 44 . -31.243 9.875 -23.546 1.00 35.44 ? ? ? ? ? . 44 LYS A O 1622 ATOM 375 C CB . LYS A 1622 44 . -32.332 12.552 -24.860 1.00 37.57 ? ? ? ? ? . 44 LYS A CB 1622 ATOM 376 C CG . LYS A 1622 44 . -33.771 12.099 -24.740 1.00 48.26 ? ? ? ? ? . 44 LYS A CG 1622 ATOM 377 C CD . LYS A 1622 44 . -34.524 12.640 -25.983 1.00 51.68 ? ? ? ? ? . 44 LYS A CD 1622 ATOM 378 C CE . LYS A 1622 44 . -35.926 13.021 -25.638 1.00 62.96 ? ? ? ? ? . 44 LYS A CE 1622 ATOM 379 N NZ . LYS A 1622 44 . -35.973 14.311 -24.889 1.00 63.64 ? ? ? ? ? 1+ 44 LYS A NZ 1622 ATOM 380 N N . ARG A 1622 45 . -32.127 10.921 -21.751 1.00 35.23 ? ? ? ? ? . 45 ARG A N 1622 ATOM 381 C CA . ARG A 1622 45 . -32.415 9.731 -20.994 1.00 40.14 ? ? ? ? ? . 45 ARG A CA 1622 ATOM 382 C C . ARG A 1622 45 . -33.776 9.942 -20.371 1.00 42.21 ? ? ? ? ? . 45 ARG A C 1622 ATOM 383 O O . ARG A 1622 45 . -34.360 10.995 -20.533 1.00 37.32 ? ? ? ? ? . 45 ARG A O 1622 ATOM 384 C CB . ARG A 1622 45 . -31.326 9.459 -19.900 1.00 43.32 ? ? ? ? ? . 45 ARG A CB 1622 ATOM 385 C CG . ARG A 1622 45 . -29.947 9.246 -20.508 1.00 47.29 ? ? ? ? ? . 45 ARG A CG 1622 ATOM 386 C CD . ARG A 1622 45 . -28.964 8.781 -19.417 1.00 52.36 ? ? ? ? ? . 45 ARG A CD 1622 ATOM 387 N NE . ARG A 1622 45 . -27.651 8.354 -19.956 1.00 53.34 ? ? ? ? ? . 45 ARG A NE 1622 ATOM 388 C CZ . ARG A 1622 45 . -27.254 7.071 -20.101 1.00 58.40 ? ? ? ? ? . 45 ARG A CZ 1622 ATOM 389 N NH1 . ARG A 1622 45 . -28.061 6.045 -19.805 1.00 59.20 ? ? ? ? ? 1+ 45 ARG A NH1 1622 ATOM 390 N NH2 . ARG A 1622 45 . -26.036 6.798 -20.572 1.00 57.54 ? ? ? ? ? . 45 ARG A NH2 1622 ATOM 391 N N . LYS A 1622 46 . -34.243 8.942 -19.646 1.00 41.65 ? ? ? ? ? . 46 LYS A N 1622 ATOM 392 C CA . LYS A 1622 46 . -35.461 9.070 -18.866 1.00 42.67 ? ? ? ? ? . 46 LYS A CA 1622 ATOM 393 C C . LYS A 1622 46 . -35.153 8.898 -17.378 1.00 37.63 ? ? ? ? ? . 46 LYS A C 1622 ATOM 394 O O . LYS A 1622 46 . -34.304 8.096 -17.009 1.00 40.88 ? ? ? ? ? . 46 LYS A O 1622 ATOM 395 C CB . LYS A 1622 46 . -36.475 8.013 -19.312 1.00 52.67 ? ? ? ? ? . 46 LYS A CB 1622 ATOM 396 C CG . LYS A 1622 46 . -37.662 8.663 -19.958 1.00 65.22 ? ? ? ? ? . 46 LYS A CG 1622 ATOM 397 C CD . LYS A 1622 46 . -38.762 7.684 -20.327 1.00 79.44 ? ? ? ? ? . 46 LYS A CD 1622 ATOM 398 C CE . LYS A 1622 46 . -40.017 8.447 -20.756 1.00 90.78 ? ? ? ? ? . 46 LYS A CE 1622 ATOM 399 N NZ . LYS A 1622 46 . -39.760 9.763 -21.434 1.00 96.03 ? ? ? ? ? 1+ 46 LYS A NZ 1622 ATOM 400 N N . LYS A 1622 47 . -35.801 9.702 -16.553 1.00 38.89 ? ? ? ? ? . 47 LYS A N 1622 ATOM 401 C CA . LYS A 1622 47 . -35.775 9.512 -15.113 1.00 39.59 ? ? ? ? ? . 47 LYS A CA 1622 ATOM 402 C C . LYS A 1622 47 . -37.082 9.932 -14.566 1.00 34.31 ? ? ? ? ? . 47 LYS A C 1622 ATOM 403 O O . LYS A 1622 47 . -37.638 10.935 -15.005 1.00 38.21 ? ? ? ? ? . 47 LYS A O 1622 ATOM 404 C CB . LYS A 1622 47 . -34.644 10.341 -14.451 1.00 38.45 ? ? ? ? ? . 47 LYS A CB 1622 ATOM 405 C CG . LYS A 1622 47 . -34.388 9.945 -13.010 1.00 40.40 ? ? ? ? ? . 47 LYS A CG 1622 ATOM 406 C CD . LYS A 1622 47 . -33.489 8.733 -12.919 1.00 43.64 ? ? ? ? ? . 47 LYS A CD 1622 ATOM 407 C CE . LYS A 1622 47 . -33.250 8.320 -11.457 1.00 43.33 ? ? ? ? ? . 47 LYS A CE 1622 ATOM 408 N NZ . LYS A 1622 47 . -32.362 7.128 -11.501 1.00 47.83 ? ? ? ? ? 1+ 47 LYS A NZ 1622 ATOM 409 N N . TYR A 1622 48 . -37.574 9.200 -13.571 1.00 38.03 ? ? ? ? ? . 48 TYR A N 1622 ATOM 410 C CA . TYR A 1622 48 . -38.882 9.467 -13.009 1.00 38.83 ? ? ? ? ? . 48 TYR A CA 1622 ATOM 411 C C . TYR A 1622 48 . -39.974 9.424 -14.092 1.00 39.45 ? ? ? ? ? . 48 TYR A C 1622 ATOM 412 O O . TYR A 1622 48 . -40.948 10.184 -14.026 1.00 38.51 ? ? ? ? ? . 48 TYR A O 1622 ATOM 413 C CB . TYR A 1622 48 . -38.953 10.823 -12.323 1.00 40.15 ? ? ? ? ? . 48 TYR A CB 1622 ATOM 414 C CG . TYR A 1622 48 . -37.794 11.012 -11.385 1.00 42.13 ? ? ? ? ? . 48 TYR A CG 1622 ATOM 415 C CD1 . TYR A 1622 48 . -37.486 10.052 -10.387 1.00 40.36 ? ? ? ? ? . 48 TYR A CD1 1622 ATOM 416 C CD2 . TYR A 1622 48 . -36.967 12.104 -11.521 1.00 41.61 ? ? ? ? ? . 48 TYR A CD2 1622 ATOM 417 C CE1 . TYR A 1622 48 . -36.413 10.222 -9.515 1.00 42.09 ? ? ? ? ? . 48 TYR A CE1 1622 ATOM 418 C CE2 . TYR A 1622 48 . -35.877 12.283 -10.669 1.00 40.41 ? ? ? ? ? . 48 TYR A CE2 1622 ATOM 419 C CZ . TYR A 1622 48 . -35.601 11.381 -9.667 1.00 41.64 ? ? ? ? ? . 48 TYR A CZ 1622 ATOM 420 O OH . TYR A 1622 48 . -34.501 11.610 -8.873 1.00 41.32 ? ? ? ? ? . 48 TYR A OH 1622 ATOM 421 N N . ASN A 1622 49 . -39.704 8.599 -15.093 1.00 41.92 ? ? ? ? ? . 49 ASN A N 1622 ATOM 422 C CA . ASN A 1622 49 . -40.534 8.462 -16.291 1.00 45.27 ? ? ? ? ? . 49 ASN A CA 1622 ATOM 423 C C . ASN A 1622 49 . -40.690 9.780 -17.093 1.00 48.67 ? ? ? ? ? . 49 ASN A C 1622 ATOM 424 O O . ASN A 1622 49 . -41.657 9.938 -17.827 1.00 45.64 ? ? ? ? ? . 49 ASN A O 1622 ATOM 425 C CB . ASN A 1622 49 . -41.919 7.842 -15.867 1.00 50.46 ? ? ? ? ? . 49 ASN A CB 1622 ATOM 426 C CG . ASN A 1622 49 . -42.681 7.242 -17.048 1.00 61.57 ? ? ? ? ? . 49 ASN A CG 1622 ATOM 427 N ND2 . ASN A 1622 49 . -43.974 7.555 -17.156 1.00 67.46 ? ? ? ? ? . 49 ASN A ND2 1622 ATOM 428 O OD1 . ASN A 1622 49 . -42.105 6.503 -17.856 1.00 61.19 ? ? ? ? ? . 49 ASN A OD1 1622 ATOM 429 N N . VAL A 1622 50 . -39.744 10.723 -16.989 1.00 42.88 ? ? ? ? ? . 50 VAL A N 1622 ATOM 430 C CA . VAL A 1622 50 . -39.772 11.953 -17.769 1.00 38.20 ? ? ? ? ? . 50 VAL A CA 1622 ATOM 431 C C . VAL A 1622 50 . -38.417 12.150 -18.426 1.00 37.54 ? ? ? ? ? . 50 VAL A C 1622 ATOM 432 O O . VAL A 1622 50 . -37.438 11.506 -18.019 1.00 37.57 ? ? ? ? ? . 50 VAL A O 1622 ATOM 433 C CB . VAL A 1622 50 . -40.232 13.220 -17.003 1.00 41.87 ? ? ? ? ? . 50 VAL A CB 1622 ATOM 434 C CG1 . VAL A 1622 50 . -41.687 13.077 -16.525 1.00 44.24 ? ? ? ? ? . 50 VAL A CG1 1622 ATOM 435 C CG2 . VAL A 1622 50 . -39.268 13.611 -15.847 1.00 40.54 ? ? ? ? ? . 50 VAL A CG2 1622 ATOM 436 N N . PRO A 1622 51 . -38.376 12.957 -19.507 1.00 44.22 ? ? ? ? ? . 51 PRO A N 1622 ATOM 437 C CA . PRO A 1622 51 . -37.107 13.177 -20.235 1.00 41.39 ? ? ? ? ? . 51 PRO A CA 1622 ATOM 438 C C . PRO A 1622 51 . -36.122 13.963 -19.396 1.00 39.14 ? ? ? ? ? . 51 PRO A C 1622 ATOM 439 O O . PRO A 1622 51 . -36.482 14.925 -18.751 1.00 38.41 ? ? ? ? ? . 51 PRO A O 1622 ATOM 440 C CB . PRO A 1622 51 . -37.527 14.068 -21.440 1.00 38.99 ? ? ? ? ? . 51 PRO A CB 1622 ATOM 441 C CG . PRO A 1622 51 . -38.977 13.828 -21.590 1.00 45.49 ? ? ? ? ? . 51 PRO A CG 1622 ATOM 442 C CD . PRO A 1622 51 . -39.500 13.640 -20.199 1.00 42.77 ? ? ? ? ? . 51 PRO A CD 1622 ATOM 443 N N . VAL A 1622 52 . -34.868 13.566 -19.435 1.00 37.50 ? ? ? ? ? . 52 VAL A N 1622 ATOM 444 C CA . VAL A 1622 52 . -33.818 14.326 -18.734 1.00 32.94 ? ? ? ? ? . 52 VAL A CA 1622 ATOM 445 C C . VAL A 1622 52 . -32.648 14.368 -19.697 1.00 36.26 ? ? ? ? ? . 52 VAL A C 1622 ATOM 446 O O . VAL A 1622 52 . -32.699 13.706 -20.759 1.00 34.95 ? ? ? ? ? . 52 VAL A O 1622 ATOM 447 C CB . VAL A 1622 52 . -33.415 13.651 -17.405 1.00 36.54 ? ? ? ? ? . 52 VAL A CB 1622 ATOM 448 C CG1 . VAL A 1622 52 . -34.582 13.649 -16.414 1.00 35.88 ? ? ? ? ? . 52 VAL A CG1 1622 ATOM 449 C CG2 . VAL A 1622 52 . -32.819 12.233 -17.566 1.00 36.00 ? ? ? ? ? . 52 VAL A CG2 1622 ATOM 450 N N . GLN A 1622 53 . -31.629 15.162 -19.364 1.00 33.75 ? ? ? ? ? . 53 GLN A N 1622 ATOM 451 C CA . GLN A 1622 53 . -30.509 15.436 -20.258 1.00 30.47 ? ? ? ? ? . 53 GLN A CA 1622 ATOM 452 C C . GLN A 1622 53 . -29.283 15.275 -19.455 1.00 31.47 ? ? ? ? ? . 53 GLN A C 1622 ATOM 453 O O . GLN A 1622 53 . -29.057 16.032 -18.508 1.00 34.69 ? ? ? ? ? . 53 GLN A O 1622 ATOM 454 C CB . GLN A 1622 53 . -30.554 16.852 -20.816 1.00 34.40 ? ? ? ? ? . 53 GLN A CB 1622 ATOM 455 C CG . GLN A 1622 53 . -31.891 17.268 -21.419 1.00 34.14 ? ? ? ? ? . 53 GLN A CG 1622 ATOM 456 C CD . GLN A 1622 53 . -32.239 16.594 -22.747 1.00 39.20 ? ? ? ? ? . 53 GLN A CD 1622 ATOM 457 N NE2 . GLN A 1622 53 . -33.553 16.350 -22.943 1.00 41.47 ? ? ? ? ? . 53 GLN A NE2 1622 ATOM 458 O OE1 . GLN A 1622 53 . -31.350 16.142 -23.494 1.00 41.17 ? ? ? ? ? . 53 GLN A OE1 1622 ATOM 459 N N . MET A 1622 54 . -28.457 14.301 -19.791 1.00 32.39 ? ? ? ? ? . 54 MET A N 1622 ATOM 460 C CA . MET A 1622 54 . -27.336 13.960 -18.927 1.00 34.00 ? ? ? ? ? . 54 MET A CA 1622 ATOM 461 C C . MET A 1622 54 . -26.053 14.022 -19.729 1.00 34.64 ? ? ? ? ? . 54 MET A C 1622 ATOM 462 O O . MET A 1622 54 . -25.975 13.540 -20.850 1.00 33.17 ? ? ? ? ? . 54 MET A O 1622 ATOM 463 C CB . MET A 1622 54 . -27.481 12.529 -18.347 1.00 33.27 ? ? ? ? ? . 54 MET A CB 1622 ATOM 464 C CG . MET A 1622 54 . -28.738 12.208 -17.522 1.00 44.27 ? ? ? ? ? . 54 MET A CG 1622 ATOM 465 S SD . MET A 1622 54 . -28.732 13.001 -15.913 1.00 47.59 ? ? ? ? ? . 54 MET A SD 1622 ATOM 466 C CE . MET A 1622 54 . -27.414 12.101 -15.066 1.00 43.14 ? ? ? ? ? . 54 MET A CE 1622 ATOM 467 N N . SER A 1622 55 . -25.066 14.675 -19.148 1.00 32.17 ? ? ? ? ? . 55 SER A N 1622 ATOM 468 C CA . SER A 1622 55 . -23.758 14.784 -19.678 1.00 32.71 ? ? ? ? ? . 55 SER A CA 1622 ATOM 469 C C . SER A 1622 55 . -23.079 13.402 -19.819 1.00 32.89 ? ? ? ? ? . 55 SER A C 1622 ATOM 470 O O . SER A 1622 55 . -23.282 12.548 -18.996 1.00 32.82 ? ? ? ? ? . 55 SER A O 1622 ATOM 471 C CB . SER A 1622 55 . -22.909 15.731 -18.831 1.00 29.58 ? ? ? ? ? . 55 SER A CB 1622 ATOM 472 O OG . SER A 1622 55 . -21.517 15.356 -18.906 1.00 33.60 ? ? ? ? ? . 55 SER A OG 1622 ATOM 473 N N . CYS A 1622 56 . -22.307 13.249 -20.904 1.00 35.00 ? ? ? ? ? . 56 CYS A N 1622 ATOM 474 C CA A CYS A 1622 56 . -21.431 12.083 -21.100 0.70 33.31 ? ? ? ? ? . 56 CYS A CA 1622 ATOM 475 C CA B CYS A 1622 56 . -21.427 12.104 -21.123 0.30 35.56 ? ? ? ? ? . 56 CYS A CA 1622 ATOM 476 C C . CYS A 1622 56 . -19.976 12.472 -20.947 1.00 37.01 ? ? ? ? ? . 56 CYS A C 1622 ATOM 477 O O . CYS A 1622 56 . -19.098 11.656 -21.232 1.00 37.05 ? ? ? ? ? . 56 CYS A O 1622 ATOM 478 C CB A CYS A 1622 56 . -21.672 11.427 -22.473 0.70 38.38 ? ? ? ? ? . 56 CYS A CB 1622 ATOM 479 C CB B CYS A 1622 56 . -21.636 11.569 -22.529 0.30 38.91 ? ? ? ? ? . 56 CYS A CB 1622 ATOM 480 S SG A CYS A 1622 56 . -21.314 12.485 -23.879 0.70 40.27 ? ? ? ? ? . 56 CYS A SG 1622 ATOM 481 S SG B CYS A 1622 56 . -23.352 11.109 -22.731 0.30 43.67 ? ? ? ? ? . 56 CYS A SG 1622 ATOM 482 N N . HIS A 1622 57 . -19.708 13.699 -20.484 1.00 34.30 ? ? ? ? ? . 57 HIS A N 1622 ATOM 483 C CA . HIS A 1622 57 . -18.321 14.118 -20.249 1.00 34.17 ? ? ? ? ? . 57 HIS A CA 1622 ATOM 484 C C . HIS A 1622 57 . -17.797 13.437 -18.957 1.00 36.79 ? ? ? ? ? . 57 HIS A C 1622 ATOM 485 O O . HIS A 1622 57 . -18.354 13.660 -17.892 1.00 36.42 ? ? ? ? ? . 57 HIS A O 1622 ATOM 486 C CB . HIS A 1622 57 . -18.207 15.613 -20.181 1.00 35.09 ? ? ? ? ? . 57 HIS A CB 1622 ATOM 487 C CG . HIS A 1622 57 . -16.793 16.077 -20.132 1.00 37.52 ? ? ? ? ? . 57 HIS A CG 1622 ATOM 488 C CD2 . HIS A 1622 57 . -15.900 16.254 -21.118 1.00 39.00 ? ? ? ? ? . 57 HIS A CD2 1622 ATOM 489 N ND1 . HIS A 1622 57 . -16.117 16.334 -18.963 1.00 36.29 ? ? ? ? ? . 57 HIS A ND1 1622 ATOM 490 C CE1 . HIS A 1622 57 . -14.879 16.704 -19.226 1.00 40.87 ? ? ? ? ? . 57 HIS A CE1 1622 ATOM 491 N NE2 . HIS A 1622 57 . -14.713 16.629 -20.534 1.00 39.24 ? ? ? ? ? . 57 HIS A NE2 1622 ATOM 492 N N . PRO A 1622 58 . -16.763 12.553 -19.036 1.00 35.82 ? ? ? ? ? . 58 PRO A N 1622 ATOM 493 C CA . PRO A 1622 58 . -16.374 11.816 -17.837 1.00 36.08 ? ? ? ? ? . 58 PRO A CA 1622 ATOM 494 C C . PRO A 1622 58 . -15.968 12.647 -16.635 1.00 38.01 ? ? ? ? ? . 58 PRO A C 1622 ATOM 495 O O . PRO A 1622 58 . -16.493 12.437 -15.552 1.00 37.10 ? ? ? ? ? . 58 PRO A O 1622 ATOM 496 C CB . PRO A 1622 58 . -15.244 10.888 -18.338 1.00 41.89 ? ? ? ? ? . 58 PRO A CB 1622 ATOM 497 C CG . PRO A 1622 58 . -15.629 10.643 -19.753 1.00 40.30 ? ? ? ? ? . 58 PRO A CG 1622 ATOM 498 C CD . PRO A 1622 58 . -16.050 12.027 -20.216 1.00 38.10 ? ? ? ? ? . 58 PRO A CD 1622 ATOM 499 N N . GLU A 1622 59 . -15.138 13.664 -16.828 1.00 34.05 ? ? ? ? ? . 59 GLU A N 1622 ATOM 500 C CA . GLU A 1622 59 . -14.651 14.412 -15.688 1.00 33.62 ? ? ? ? ? . 59 GLU A CA 1622 ATOM 501 C C . GLU A 1622 59 . -15.786 15.288 -15.075 1.00 33.90 ? ? ? ? ? . 59 GLU A C 1622 ATOM 502 O O . GLU A 1622 59 . -15.883 15.446 -13.854 1.00 32.68 ? ? ? ? ? . 59 GLU A O 1622 ATOM 503 C CB . GLU A 1622 59 . -13.473 15.306 -16.109 1.00 42.03 ? ? ? ? ? . 59 GLU A CB 1622 ATOM 504 C CG . GLU A 1622 59 . -12.850 16.011 -14.929 1.00 56.37 ? ? ? ? ? . 59 GLU A CG 1622 ATOM 505 C CD . GLU A 1622 59 . -11.688 16.964 -15.236 1.00 71.29 ? ? ? ? ? . 59 GLU A CD 1622 ATOM 506 O OE1 . GLU A 1622 59 . -11.377 17.284 -16.419 1.00 71.44 ? ? ? ? ? . 59 GLU A OE1 1622 ATOM 507 O OE2 . GLU A 1622 59 . -11.103 17.418 -14.231 1.00 70.96 ? ? ? ? ? 1- 59 GLU A OE2 1622 ATOM 508 N N . LEU A 1622 60 . -16.666 15.822 -15.914 1.00 33.96 ? ? ? ? ? . 60 LEU A N 1622 ATOM 509 C CA . LEU A 1622 60 . -17.743 16.655 -15.385 1.00 34.00 ? ? ? ? ? . 60 LEU A CA 1622 ATOM 510 C C . LEU A 1622 60 . -18.644 15.723 -14.583 1.00 34.82 ? ? ? ? ? . 60 LEU A C 1622 ATOM 511 O O . LEU A 1622 60 . -19.116 16.056 -13.485 1.00 35.16 ? ? ? ? ? . 60 LEU A O 1622 ATOM 512 C CB . LEU A 1622 60 . -18.490 17.333 -16.485 1.00 34.24 ? ? ? ? ? . 60 LEU A CB 1622 ATOM 513 C CG . LEU A 1622 60 . -19.797 18.006 -16.103 1.00 32.09 ? ? ? ? ? . 60 LEU A CG 1622 ATOM 514 C CD1 . LEU A 1622 60 . -19.558 19.083 -15.072 1.00 35.58 ? ? ? ? ? . 60 LEU A CD1 1622 ATOM 515 C CD2 . LEU A 1622 60 . -20.489 18.559 -17.343 1.00 31.63 ? ? ? ? ? . 60 LEU A CD2 1622 ATOM 516 N N . ASN A 1622 61 . -18.919 14.554 -15.135 1.00 32.38 ? ? ? ? ? . 61 ASN A N 1622 ATOM 517 C CA . ASN A 1622 61 . -19.742 13.623 -14.392 1.00 31.08 ? ? ? ? ? . 61 ASN A CA 1622 ATOM 518 C C . ASN A 1622 61 . -19.200 13.274 -13.044 1.00 30.96 ? ? ? ? ? . 61 ASN A C 1622 ATOM 519 O O . ASN A 1622 61 . -19.931 13.169 -12.088 1.00 30.95 ? ? ? ? ? . 61 ASN A O 1622 ATOM 520 C CB . ASN A 1622 61 . -20.067 12.359 -15.213 1.00 32.56 ? ? ? ? ? . 61 ASN A CB 1622 ATOM 521 C CG . ASN A 1622 61 . -20.924 12.664 -16.433 1.00 34.32 ? ? ? ? ? . 61 ASN A CG 1622 ATOM 522 N ND2 . ASN A 1622 61 . -21.040 11.675 -17.321 1.00 34.19 ? ? ? ? ? . 61 ASN A ND2 1622 ATOM 523 O OD1 . ASN A 1622 61 . -21.467 13.800 -16.607 1.00 33.74 ? ? ? ? ? . 61 ASN A OD1 1622 ATOM 524 N N . GLN A 1622 62 . -17.898 12.990 -12.995 1.00 30.91 ? ? ? ? ? . 62 GLN A N 1622 ATOM 525 C CA . GLN A 1622 62 . -17.239 12.614 -11.795 1.00 32.66 ? ? ? ? ? . 62 GLN A CA 1622 ATOM 526 C C . GLN A 1622 62 . -17.205 13.748 -10.813 1.00 32.54 ? ? ? ? ? . 62 GLN A C 1622 ATOM 527 O O . GLN A 1622 62 . -17.335 13.503 -9.624 1.00 33.20 ? ? ? ? ? . 62 GLN A O 1622 ATOM 528 C CB . GLN A 1622 62 . -15.783 12.107 -12.094 1.00 39.35 ? ? ? ? ? . 62 GLN A CB 1622 ATOM 529 C CG . GLN A 1622 62 . -15.066 11.382 -10.920 1.00 38.27 ? ? ? ? ? . 62 GLN A CG 1622 ATOM 530 C CD . GLN A 1622 62 . -15.830 10.123 -10.488 1.00 45.46 ? ? ? ? ? . 62 GLN A CD 1622 ATOM 531 N NE2 . GLN A 1622 62 . -16.328 10.106 -9.273 1.00 43.85 ? ? ? ? ? . 62 GLN A NE2 1622 ATOM 532 O OE1 . GLN A 1622 62 . -16.052 9.227 -11.292 1.00 45.06 ? ? ? ? ? . 62 GLN A OE1 1622 ATOM 533 N N . TYR A 1622 63 . -17.098 14.997 -11.301 1.00 35.43 ? ? ? ? ? . 63 TYR A N 1622 ATOM 534 C CA . TYR A 1622 63 . -17.089 16.129 -10.426 1.00 33.83 ? ? ? ? ? . 63 TYR A CA 1622 ATOM 535 C C . TYR A 1622 63 . -18.438 16.259 -9.741 1.00 31.36 ? ? ? ? ? . 63 TYR A C 1622 ATOM 536 O O . TYR A 1622 63 . -18.519 16.497 -8.508 1.00 31.21 ? ? ? ? ? . 63 TYR A O 1622 ATOM 537 C CB . TYR A 1622 63 . -16.794 17.383 -11.213 1.00 34.14 ? ? ? ? ? . 63 TYR A CB 1622 ATOM 538 C CG . TYR A 1622 63 . -16.842 18.581 -10.369 1.00 33.38 ? ? ? ? ? . 63 TYR A CG 1622 ATOM 539 C CD1 . TYR A 1622 63 . -15.726 18.938 -9.620 1.00 34.63 ? ? ? ? ? . 63 TYR A CD1 1622 ATOM 540 C CD2 . TYR A 1622 63 . -17.994 19.369 -10.281 1.00 31.21 ? ? ? ? ? . 63 TYR A CD2 1622 ATOM 541 C CE1 . TYR A 1622 63 . -15.751 20.039 -8.785 1.00 33.75 ? ? ? ? ? . 63 TYR A CE1 1622 ATOM 542 C CE2 . TYR A 1622 63 . -18.014 20.486 -9.475 1.00 33.89 ? ? ? ? ? . 63 TYR A CE2 1622 ATOM 543 C CZ . TYR A 1622 63 . -16.902 20.820 -8.710 1.00 32.43 ? ? ? ? ? . 63 TYR A CZ 1622 ATOM 544 O OH . TYR A 1622 63 . -16.880 21.966 -7.935 1.00 36.60 ? ? ? ? ? . 63 TYR A OH 1622 ATOM 545 N N . ILE A 1622 64 . -19.491 16.097 -10.506 1.00 32.66 ? ? ? ? ? . 64 ILE A N 1622 ATOM 546 C CA . ILE A 1622 64 . -20.827 16.199 -9.921 1.00 31.48 ? ? ? ? ? . 64 ILE A CA 1622 ATOM 547 C C . ILE A 1622 64 . -21.058 15.077 -8.916 1.00 32.19 ? ? ? ? ? . 64 ILE A C 1622 ATOM 548 O O . ILE A 1622 64 . -21.527 15.295 -7.802 1.00 29.87 ? ? ? ? ? . 64 ILE A O 1622 ATOM 549 C CB . ILE A 1622 64 . -21.889 16.220 -10.987 1.00 31.71 ? ? ? ? ? . 64 ILE A CB 1622 ATOM 550 C CG1 . ILE A 1622 64 . -21.796 17.537 -11.745 1.00 34.75 ? ? ? ? ? . 64 ILE A CG1 1622 ATOM 551 C CG2 . ILE A 1622 64 . -23.294 16.109 -10.427 1.00 32.96 ? ? ? ? ? . 64 ILE A CG2 1622 ATOM 552 C CD1 . ILE A 1622 64 . -22.496 17.552 -13.072 1.00 35.60 ? ? ? ? ? . 64 ILE A CD1 1622 ATOM 553 N N . GLN A 1622 65 . -20.675 13.863 -9.294 1.00 31.72 ? ? ? ? ? . 65 GLN A N 1622 ATOM 554 C CA . GLN A 1622 65 . -20.767 12.787 -8.332 1.00 35.80 ? ? ? ? ? . 65 GLN A CA 1622 ATOM 555 C C . GLN A 1622 65 . -19.929 12.964 -7.056 1.00 31.89 ? ? ? ? ? . 65 GLN A C 1622 ATOM 556 O O . GLN A 1622 65 . -20.379 12.573 -5.955 1.00 31.53 ? ? ? ? ? . 65 GLN A O 1622 ATOM 557 C CB . GLN A 1622 65 . -20.441 11.438 -8.963 1.00 35.88 ? ? ? ? ? . 65 GLN A CB 1622 ATOM 558 C CG . GLN A 1622 65 . -21.508 11.027 -9.888 1.00 44.22 ? ? ? ? ? . 65 GLN A CG 1622 ATOM 559 C CD . GLN A 1622 65 . -21.392 9.587 -10.326 1.00 62.21 ? ? ? ? ? . 65 GLN A CD 1622 ATOM 560 N NE2 . GLN A 1622 65 . -22.456 9.131 -10.998 1.00 58.63 ? ? ? ? ? . 65 GLN A NE2 1622 ATOM 561 O OE1 . GLN A 1622 65 . -20.365 8.874 -10.078 1.00 61.52 ? ? ? ? ? . 65 GLN A OE1 1622 ATOM 562 N N . ASP A 1622 66 . -18.701 13.467 -7.188 1.00 31.11 ? ? ? ? ? . 66 ASP A N 1622 ATOM 563 C CA . ASP A 1622 66 . -17.876 13.688 -6.082 1.00 34.04 ? ? ? ? ? . 66 ASP A CA 1622 ATOM 564 C C . ASP A 1622 66 . -18.502 14.725 -5.161 1.00 33.39 ? ? ? ? ? . 66 ASP A C 1622 ATOM 565 O O . ASP A 1622 66 . -18.461 14.553 -3.941 1.00 31.50 ? ? ? ? ? . 66 ASP A O 1622 ATOM 566 C CB . ASP A 1622 66 . -16.475 14.161 -6.518 1.00 36.76 ? ? ? ? ? . 66 ASP A CB 1622 ATOM 567 C CG . ASP A 1622 66 . -15.631 13.072 -7.162 1.00 40.89 ? ? ? ? ? . 66 ASP A CG 1622 ATOM 568 O OD1 . ASP A 1622 66 . -15.925 11.885 -7.044 1.00 39.82 ? ? ? ? ? . 66 ASP A OD1 1622 ATOM 569 O OD2 . ASP A 1622 66 . -14.632 13.431 -7.802 1.00 41.01 ? ? ? ? ? 1- 66 ASP A OD2 1622 ATOM 570 N N . THR A 1622 67 . -19.037 15.801 -5.739 1.00 33.14 ? ? ? ? ? . 67 THR A N 1622 ATOM 571 C CA . THR A 1622 67 . -19.674 16.820 -4.950 1.00 33.54 ? ? ? ? ? . 67 THR A CA 1622 ATOM 572 C C . THR A 1622 67 . -20.840 16.224 -4.163 1.00 31.05 ? ? ? ? ? . 67 THR A C 1622 ATOM 573 O O . THR A 1622 67 . -20.983 16.437 -2.958 1.00 30.82 ? ? ? ? ? . 67 THR A O 1622 ATOM 574 C CB . THR A 1622 67 . -20.194 17.918 -5.849 1.00 33.76 ? ? ? ? ? . 67 THR A CB 1622 ATOM 575 C CG2 . THR A 1622 67 . -20.961 18.924 -5.118 1.00 34.91 ? ? ? ? ? . 67 THR A CG2 1622 ATOM 576 O OG1 . THR A 1622 67 . -19.087 18.549 -6.502 1.00 34.33 ? ? ? ? ? . 67 THR A OG1 1622 ATOM 577 N N . LEU A 1622 68 . -21.663 15.433 -4.825 1.00 31.67 ? ? ? ? ? . 68 LEU A N 1622 ATOM 578 C CA . LEU A 1622 68 . -22.830 14.857 -4.132 1.00 33.88 ? ? ? ? ? . 68 LEU A CA 1622 ATOM 579 C C . LEU A 1622 68 . -22.439 13.752 -3.123 1.00 34.52 ? ? ? ? ? . 68 LEU A C 1622 ATOM 580 O O . LEU A 1622 68 . -23.135 13.547 -2.142 1.00 37.85 ? ? ? ? ? . 68 LEU A O 1622 ATOM 581 C CB . LEU A 1622 68 . -23.832 14.372 -5.177 1.00 33.15 ? ? ? ? ? . 68 LEU A CB 1622 ATOM 582 C CG . LEU A 1622 68 . -24.520 15.484 -5.941 1.00 38.71 ? ? ? ? ? . 68 LEU A CG 1622 ATOM 583 C CD1 . LEU A 1622 68 . -25.331 14.908 -7.111 1.00 42.69 ? ? ? ? ? . 68 LEU A CD1 1622 ATOM 584 C CD2 . LEU A 1622 68 . -25.385 16.353 -5.066 1.00 39.07 ? ? ? ? ? . 68 LEU A CD2 1622 ATOM 585 N N . HIS A 1622 69 . -21.290 13.088 -3.332 1.00 32.92 ? ? ? ? ? . 69 HIS A N 1622 ATOM 586 C CA . HIS A 1622 69 . -20.737 12.142 -2.388 1.00 37.70 ? ? ? ? ? . 69 HIS A CA 1622 ATOM 587 C C . HIS A 1622 69 . -20.423 12.847 -1.036 1.00 35.36 ? ? ? ? ? . 69 HIS A C 1622 ATOM 588 O O . HIS A 1622 69 . -20.498 12.249 0.058 1.00 33.47 ? ? ? ? ? . 69 HIS A O 1622 ATOM 589 C CB . HIS A 1622 69 . -19.457 11.531 -3.007 1.00 38.56 ? ? ? ? ? . 69 HIS A CB 1622 ATOM 590 C CG . HIS A 1622 69 . -18.797 10.491 -2.192 1.00 46.98 ? ? ? ? ? . 69 HIS A CG 1622 ATOM 591 C CD2 . HIS A 1622 69 . -17.592 10.480 -1.565 1.00 55.68 ? ? ? ? ? . 69 HIS A CD2 1622 ATOM 592 N ND1 . HIS A 1622 69 . -19.296 9.210 -2.091 1.00 52.74 ? ? ? ? ? . 69 HIS A ND1 1622 ATOM 593 C CE1 . HIS A 1622 69 . -18.476 8.481 -1.358 1.00 53.42 ? ? ? ? ? . 69 HIS A CE1 1622 ATOM 594 N NE2 . HIS A 1622 69 . -17.423 9.220 -1.046 1.00 52.00 ? ? ? ? ? . 69 HIS A NE2 1622 ATOM 595 N N . CYS A 1622 70 . -20.051 14.148 -1.103 1.00 33.53 ? ? ? ? ? . 70 CYS A N 1622 ATOM 596 C CA . CYS A 1622 70 . -19.832 14.934 0.066 1.00 34.46 ? ? ? ? ? . 70 CYS A CA 1622 ATOM 597 C C . CYS A 1622 70 . -21.127 15.436 0.670 1.00 31.13 ? ? ? ? ? . 70 CYS A C 1622 ATOM 598 O O . CYS A 1622 70 . -21.195 15.566 1.891 1.00 34.67 ? ? ? ? ? . 70 CYS A O 1622 ATOM 599 C CB . CYS A 1622 70 . -18.914 16.109 -0.239 1.00 34.97 ? ? ? ? ? . 70 CYS A CB 1622 ATOM 600 S SG . CYS A 1622 70 . -17.329 15.585 -0.874 1.00 36.18 ? ? ? ? ? . 70 CYS A SG 1622 ATOM 601 N N . VAL A 1622 71 . -22.111 15.709 -0.162 1.00 32.80 ? ? ? ? ? . 71 VAL A N 1622 ATOM 602 C CA . VAL A 1622 71 . -23.424 16.212 0.297 1.00 33.82 ? ? ? ? ? . 71 VAL A CA 1622 ATOM 603 C C . VAL A 1622 71 . -24.187 15.092 1.033 1.00 36.69 ? ? ? ? ? . 71 VAL A C 1622 ATOM 604 O O . VAL A 1622 71 . -24.862 15.357 2.032 1.00 34.66 ? ? ? ? ? . 71 VAL A O 1622 ATOM 605 C CB . VAL A 1622 71 . -24.252 16.713 -0.844 1.00 34.35 ? ? ? ? ? . 71 VAL A CB 1622 ATOM 606 C CG1 . VAL A 1622 71 . -25.673 17.103 -0.448 1.00 37.26 ? ? ? ? ? . 71 VAL A CG1 1622 ATOM 607 C CG2 . VAL A 1622 71 . -23.617 18.006 -1.424 1.00 37.00 ? ? ? ? ? . 71 VAL A CG2 1622 ATOM 608 N N . LYS A 1622 72 . -24.032 13.862 0.574 1.00 33.01 ? ? ? ? ? . 72 LYS A N 1622 ATOM 609 C CA . LYS A 1622 72 . -24.776 12.756 1.186 1.00 32.99 ? ? ? ? ? . 72 LYS A CA 1622 ATOM 610 C C . LYS A 1622 72 . -24.655 12.633 2.722 1.00 33.96 ? ? ? ? ? . 72 LYS A C 1622 ATOM 611 O O . LYS A 1622 72 . -25.665 12.602 3.416 1.00 34.26 ? ? ? ? ? . 72 LYS A O 1622 ATOM 612 C CB . LYS A 1622 72 . -24.405 11.473 0.492 1.00 34.34 ? ? ? ? ? . 72 LYS A CB 1622 ATOM 613 C CG . LYS A 1622 72 . -25.088 10.228 1.063 1.00 40.46 ? ? ? ? ? . 72 LYS A CG 1622 ATOM 614 C CD . LYS A 1622 72 . -24.961 9.112 0.062 1.00 49.56 ? ? ? ? ? . 72 LYS A CD 1622 ATOM 615 C CE . LYS A 1622 72 . -24.777 7.744 0.720 1.00 62.37 ? ? ? ? ? . 72 LYS A CE 1622 ATOM 616 N NZ . LYS A 1622 72 . -24.675 6.725 -0.371 1.00 74.53 ? ? ? ? ? 1+ 72 LYS A NZ 1622 ATOM 617 N N . PRO A 1622 73 . -23.426 12.575 3.293 1.00 32.18 ? ? ? ? ? . 73 PRO A N 1622 ATOM 618 C CA . PRO A 1622 73 . -23.319 12.500 4.762 1.00 33.00 ? ? ? ? ? . 73 PRO A CA 1622 ATOM 619 C C . PRO A 1622 73 . -23.906 13.702 5.482 1.00 33.77 ? ? ? ? ? . 73 PRO A C 1622 ATOM 620 O O . PRO A 1622 73 . -24.367 13.595 6.604 1.00 34.40 ? ? ? ? ? . 73 PRO A O 1622 ATOM 621 C CB . PRO A 1622 73 . -21.798 12.425 5.004 1.00 35.90 ? ? ? ? ? . 73 PRO A CB 1622 ATOM 622 C CG . PRO A 1622 73 . -21.204 12.965 3.771 1.00 37.41 ? ? ? ? ? . 73 PRO A CG 1622 ATOM 623 C CD . PRO A 1622 73 . -22.097 12.545 2.670 1.00 36.90 ? ? ? ? ? . 73 PRO A CD 1622 ATOM 624 N N . LEU A 1622 74 . -23.854 14.858 4.834 1.00 32.18 ? ? ? ? ? . 74 LEU A N 1622 ATOM 625 C CA . LEU A 1622 74 . -24.477 16.038 5.429 1.00 31.48 ? ? ? ? ? . 74 LEU A CA 1622 ATOM 626 C C . LEU A 1622 74 . -25.985 15.870 5.489 1.00 32.69 ? ? ? ? ? . 74 LEU A C 1622 ATOM 627 O O . LEU A 1622 74 . -26.622 16.219 6.499 1.00 35.44 ? ? ? ? ? . 74 LEU A O 1622 ATOM 628 C CB . LEU A 1622 74 . -24.111 17.274 4.668 1.00 34.28 ? ? ? ? ? . 74 LEU A CB 1622 ATOM 629 C CG . LEU A 1622 74 . -22.612 17.604 4.740 1.00 37.96 ? ? ? ? ? . 74 LEU A CG 1622 ATOM 630 C CD1 . LEU A 1622 74 . -22.375 18.816 3.868 1.00 38.58 ? ? ? ? ? . 74 LEU A CD1 1622 ATOM 631 C CD2 . LEU A 1622 74 . -22.072 17.850 6.110 1.00 46.91 ? ? ? ? ? . 74 LEU A CD2 1622 ATOM 632 N N . LEU A 1622 75 . -26.528 15.334 4.446 1.00 29.98 ? ? ? ? ? . 75 LEU A N 1622 ATOM 633 C CA . LEU A 1622 75 . -27.968 15.051 4.426 1.00 34.47 ? ? ? ? ? . 75 LEU A CA 1622 ATOM 634 C C . LEU A 1622 75 . -28.330 14.018 5.489 1.00 36.50 ? ? ? ? ? . 75 LEU A C 1622 ATOM 635 O O . LEU A 1622 75 . -29.359 14.150 6.193 1.00 35.93 ? ? ? ? ? . 75 LEU A O 1622 ATOM 636 C CB . LEU A 1622 75 . -28.436 14.568 3.080 1.00 33.86 ? ? ? ? ? . 75 LEU A CB 1622 ATOM 637 C CG . LEU A 1622 75 . -28.529 15.631 2.027 1.00 35.39 ? ? ? ? ? . 75 LEU A CG 1622 ATOM 638 C CD1 . LEU A 1622 75 . -28.582 14.990 0.660 1.00 33.90 ? ? ? ? ? . 75 LEU A CD1 1622 ATOM 639 C CD2 . LEU A 1622 75 . -29.716 16.535 2.309 1.00 34.88 ? ? ? ? ? . 75 LEU A CD2 1622 ATOM 640 N N . GLU A 1622 76 . -27.501 12.996 5.605 1.00 34.82 ? ? ? ? ? . 76 GLU A N 1622 ATOM 641 C CA . GLU A 1622 76 . -27.813 11.907 6.527 1.00 35.48 ? ? ? ? ? . 76 GLU A CA 1622 ATOM 642 C C . GLU A 1622 76 . -27.816 12.341 7.973 1.00 40.31 ? ? ? ? ? . 76 GLU A C 1622 ATOM 643 O O . GLU A 1622 76 . -28.717 11.946 8.713 1.00 42.12 ? ? ? ? ? . 76 GLU A O 1622 ATOM 644 C CB . GLU A 1622 76 . -26.810 10.755 6.390 1.00 37.85 ? ? ? ? ? . 76 GLU A CB 1622 ATOM 645 C CG . GLU A 1622 76 . -26.955 10.112 5.069 1.00 38.85 ? ? ? ? ? . 76 GLU A CG 1622 ATOM 646 C CD . GLU A 1622 76 . -26.005 8.992 4.852 1.00 44.94 ? ? ? ? ? . 76 GLU A CD 1622 ATOM 647 O OE1 . GLU A 1622 76 . -24.997 8.929 5.566 1.00 48.57 ? ? ? ? ? . 76 GLU A OE1 1622 ATOM 648 O OE2 . GLU A 1622 76 . -26.304 8.187 3.945 1.00 56.04 ? ? ? ? ? 1- 76 GLU A OE2 1622 ATOM 649 N N . LYS A 1622 77 . -26.938 13.293 8.329 1.00 37.01 ? ? ? ? ? . 77 LYS A N 1622 ATOM 650 C CA . LYS A 1622 77 . -26.857 13.799 9.650 1.00 37.41 ? ? ? ? ? . 77 LYS A CA 1622 ATOM 651 C C . LYS A 1622 77 . -27.771 15.006 9.839 1.00 37.23 ? ? ? ? ? . 77 LYS A C 1622 ATOM 652 O O . LYS A 1622 77 . -27.611 15.732 10.774 1.00 38.89 ? ? ? ? ? . 77 LYS A O 1622 ATOM 653 C CB . LYS A 1622 77 . -25.392 13.991 10.082 1.00 41.81 ? ? ? ? ? . 77 LYS A CB 1622 ATOM 654 C CG . LYS A 1622 77 . -24.666 15.196 9.571 1.00 49.03 ? ? ? ? ? . 77 LYS A CG 1622 ATOM 655 C CD . LYS A 1622 77 . -23.173 15.249 9.928 1.00 58.06 ? ? ? ? ? . 77 LYS A CD 1622 ATOM 656 C CE . LYS A 1622 77 . -22.582 16.646 9.703 1.00 52.56 ? ? ? ? ? . 77 LYS A CE 1622 ATOM 657 N NZ . LYS A 1622 77 . -21.079 16.731 9.818 1.00 66.69 ? ? ? ? ? 1+ 77 LYS A NZ 1622 ATOM 658 N N . ASN A 1622 78 . -28.680 15.225 8.905 1.00 36.35 ? ? ? ? ? . 78 ASN A N 1622 ATOM 659 C CA . ASN A 1622 78 . -29.608 16.338 8.918 1.00 34.09 ? ? ? ? ? . 78 ASN A CA 1622 ATOM 660 C C . ASN A 1622 78 . -28.939 17.693 9.066 1.00 36.75 ? ? ? ? ? . 78 ASN A C 1622 ATOM 661 O O . ASN A 1622 78 . -29.286 18.463 9.941 1.00 36.11 ? ? ? ? ? . 78 ASN A O 1622 ATOM 662 C CB . ASN A 1622 78 . -30.717 16.118 9.981 1.00 39.04 ? ? ? ? ? . 78 ASN A CB 1622 ATOM 663 C CG . ASN A 1622 78 . -32.025 16.824 9.621 1.00 37.12 ? ? ? ? ? . 78 ASN A CG 1622 ATOM 664 N ND2 . ASN A 1622 78 . -33.093 16.482 10.385 1.00 39.66 ? ? ? ? ? . 78 ASN A ND2 1622 ATOM 665 O OD1 . ASN A 1622 78 . -32.150 17.553 8.619 1.00 35.95 ? ? ? ? ? . 78 ASN A OD1 1622 ATOM 666 N N . ASP A 1622 79 . -27.968 17.937 8.184 1.00 30.26 ? ? ? ? ? . 79 ASP A N 1622 ATOM 667 C CA . ASP A 1622 79 . -27.137 19.096 8.279 1.00 34.39 ? ? ? ? ? . 79 ASP A CA 1622 ATOM 668 C C . ASP A 1622 79 . -27.214 19.917 7.017 1.00 35.20 ? ? ? ? ? . 79 ASP A C 1622 ATOM 669 O O . ASP A 1622 79 . -26.266 20.637 6.655 1.00 33.71 ? ? ? ? ? . 79 ASP A O 1622 ATOM 670 C CB . ASP A 1622 79 . -25.735 18.660 8.613 1.00 31.61 ? ? ? ? ? . 79 ASP A CB 1622 ATOM 671 C CG . ASP A 1622 79 . -24.878 19.769 9.169 1.00 40.62 ? ? ? ? ? . 79 ASP A CG 1622 ATOM 672 O OD1 . ASP A 1622 79 . -25.378 20.844 9.577 1.00 35.52 ? ? ? ? ? . 79 ASP A OD1 1622 ATOM 673 O OD2 . ASP A 1622 79 . -23.666 19.528 9.173 1.00 42.81 ? ? ? ? ? 1- 79 ASP A OD2 1622 ATOM 674 N N . VAL A 1622 80 . -28.347 19.840 6.320 1.00 32.69 ? ? ? ? ? . 80 VAL A N 1622 ATOM 675 C CA . VAL A 1622 80 . -28.536 20.577 5.093 1.00 32.89 ? ? ? ? ? . 80 VAL A CA 1622 ATOM 676 C C . VAL A 1622 80 . -29.839 21.384 5.130 1.00 33.77 ? ? ? ? ? . 80 VAL A C 1622 ATOM 677 O O . VAL A 1622 80 . -30.886 20.827 5.244 1.00 34.08 ? ? ? ? ? . 80 VAL A O 1622 ATOM 678 C CB . VAL A 1622 80 . -28.488 19.678 3.892 1.00 31.22 ? ? ? ? ? . 80 VAL A CB 1622 ATOM 679 C CG1 . VAL A 1622 80 . -28.754 20.497 2.599 1.00 34.06 ? ? ? ? ? . 80 VAL A CG1 1622 ATOM 680 C CG2 . VAL A 1622 80 . -27.075 19.006 3.835 1.00 34.77 ? ? ? ? ? . 80 VAL A CG2 1622 ATOM 681 N N . GLU A 1622 81 . -29.773 22.696 4.966 1.00 32.75 ? ? ? ? ? . 81 GLU A N 1622 ATOM 682 C CA . GLU A 1622 81 . -31.000 23.514 4.725 1.00 34.23 ? ? ? ? ? . 81 GLU A CA 1622 ATOM 683 C C . GLU A 1622 81 . -31.209 23.813 3.197 1.00 35.97 ? ? ? ? ? . 81 GLU A C 1622 ATOM 684 O O . GLU A 1622 81 . -32.311 23.864 2.716 1.00 33.63 ? ? ? ? ? . 81 GLU A O 1622 ATOM 685 C CB . GLU A 1622 81 . -30.852 24.858 5.393 1.00 36.68 ? ? ? ? ? . 81 GLU A CB 1622 ATOM 686 C CG . GLU A 1622 81 . -30.769 24.680 6.909 1.00 38.62 ? ? ? ? ? . 81 GLU A CG 1622 ATOM 687 C CD . GLU A 1622 81 . -31.134 25.949 7.637 1.00 41.92 ? ? ? ? ? . 81 GLU A CD 1622 ATOM 688 O OE1 . GLU A 1622 81 . -30.634 27.052 7.224 1.00 39.03 ? ? ? ? ? . 81 GLU A OE1 1622 ATOM 689 O OE2 . GLU A 1622 81 . -31.896 25.813 8.629 1.00 44.73 ? ? ? ? ? 1- 81 GLU A OE2 1622 ATOM 690 N N . LYS A 1622 82 . -30.116 24.034 2.468 1.00 32.47 ? ? ? ? ? . 82 LYS A N 1622 ATOM 691 C CA . LYS A 1622 82 . -30.140 24.276 1.013 1.00 31.07 ? ? ? ? ? . 82 LYS A CA 1622 ATOM 692 C C . LYS A 1622 82 . -29.001 23.657 0.290 1.00 30.97 ? ? ? ? ? . 82 LYS A C 1622 ATOM 693 O O . LYS A 1622 82 . -27.896 23.686 0.781 1.00 32.12 ? ? ? ? ? . 82 LYS A O 1622 ATOM 694 C CB . LYS A 1622 82 . -30.076 25.780 0.735 1.00 36.84 ? ? ? ? ? . 82 LYS A CB 1622 ATOM 695 C CG . LYS A 1622 82 . -31.251 26.548 1.262 1.00 32.94 ? ? ? ? ? . 82 LYS A CG 1622 ATOM 696 C CD . LYS A 1622 82 . -31.024 28.085 1.146 1.00 35.38 ? ? ? ? ? . 82 LYS A CD 1622 ATOM 697 C CE . LYS A 1622 82 . -32.264 28.883 1.551 1.00 39.34 ? ? ? ? ? . 82 LYS A CE 1622 ATOM 698 N NZ . LYS A 1622 82 . -31.934 30.315 1.508 1.00 41.87 ? ? ? ? ? 1+ 82 LYS A NZ 1622 ATOM 699 N N . VAL A 1622 83 . -29.242 23.178 -0.933 1.00 30.91 ? ? ? ? ? . 83 VAL A N 1622 ATOM 700 C CA . VAL A 1622 83 . -28.237 22.886 -1.884 1.00 33.18 ? ? ? ? ? . 83 VAL A CA 1622 ATOM 701 C C . VAL A 1622 83 . -28.552 23.803 -3.032 1.00 32.66 ? ? ? ? ? . 83 VAL A C 1622 ATOM 702 O O . VAL A 1622 83 . -29.681 23.859 -3.497 1.00 34.00 ? ? ? ? ? . 83 VAL A O 1622 ATOM 703 C CB . VAL A 1622 83 . -28.257 21.438 -2.372 1.00 29.97 ? ? ? ? ? . 83 VAL A CB 1622 ATOM 704 C CG1 . VAL A 1622 83 . -27.167 21.174 -3.410 1.00 33.45 ? ? ? ? ? . 83 VAL A CG1 1622 ATOM 705 C CG2 . VAL A 1622 83 . -28.110 20.500 -1.211 1.00 34.81 ? ? ? ? ? . 83 VAL A CG2 1622 ATOM 706 N N . VAL A 1622 84 . -27.551 24.577 -3.427 1.00 30.04 ? ? ? ? ? . 84 VAL A N 1622 ATOM 707 C CA . VAL A 1622 84 . -27.698 25.650 -4.378 1.00 29.95 ? ? ? ? ? . 84 VAL A CA 1622 ATOM 708 C C . VAL A 1622 84 . -26.751 25.464 -5.550 1.00 31.73 ? ? ? ? ? . 84 VAL A C 1622 ATOM 709 O O . VAL A 1622 84 . -25.513 25.400 -5.391 1.00 35.66 ? ? ? ? ? . 84 VAL A O 1622 ATOM 710 C CB . VAL A 1622 84 . -27.511 27.062 -3.722 1.00 32.50 ? ? ? ? ? . 84 VAL A CB 1622 ATOM 711 C CG1 . VAL A 1622 84 . -27.899 28.141 -4.716 1.00 33.72 ? ? ? ? ? . 84 VAL A CG1 1622 ATOM 712 C CG2 . VAL A 1622 84 . -28.307 27.219 -2.480 1.00 35.30 ? ? ? ? ? . 84 VAL A CG2 1622 ATOM 713 N N . VAL A 1622 85 . -27.304 25.416 -6.753 1.00 31.42 ? ? ? ? ? . 85 VAL A N 1622 ATOM 714 C CA . VAL A 1622 85 . -26.502 25.486 -7.978 1.00 31.91 ? ? ? ? ? . 85 VAL A CA 1622 ATOM 715 C C . VAL A 1622 85 . -26.352 26.970 -8.354 1.00 35.44 ? ? ? ? ? . 85 VAL A C 1622 ATOM 716 O O . VAL A 1622 85 . -27.338 27.632 -8.619 1.00 33.09 ? ? ? ? ? . 85 VAL A O 1622 ATOM 717 C CB . VAL A 1622 85 . -27.099 24.689 -9.138 1.00 35.94 ? ? ? ? ? . 85 VAL A CB 1622 ATOM 718 C CG1 . VAL A 1622 85 . -26.233 24.847 -10.379 1.00 36.66 ? ? ? ? ? . 85 VAL A CG1 1622 ATOM 719 C CG2 . VAL A 1622 85 . -27.292 23.218 -8.727 1.00 33.98 ? ? ? ? ? . 85 VAL A CG2 1622 ATOM 720 N N . VAL A 1622 86 . -25.136 27.468 -8.251 1.00 32.52 ? ? ? ? ? . 86 VAL A N 1622 ATOM 721 C CA . VAL A 1622 86 . -24.898 28.871 -8.437 1.00 33.20 ? ? ? ? ? . 86 VAL A CA 1622 ATOM 722 C C . VAL A 1622 86 . -24.248 28.998 -9.798 1.00 35.45 ? ? ? ? ? . 86 VAL A C 1622 ATOM 723 O O . VAL A 1622 86 . -23.207 28.366 -10.077 1.00 36.88 ? ? ? ? ? . 86 VAL A O 1622 ATOM 724 C CB . VAL A 1622 86 . -23.929 29.413 -7.372 1.00 36.36 ? ? ? ? ? . 86 VAL A CB 1622 ATOM 725 C CG1 . VAL A 1622 86 . -23.621 30.896 -7.644 1.00 38.16 ? ? ? ? ? . 86 VAL A CG1 1622 ATOM 726 C CG2 . VAL A 1622 86 . -24.496 29.219 -5.982 1.00 36.85 ? ? ? ? ? . 86 VAL A CG2 1622 ATOM 727 N N . ILE A 1622 87 . -24.829 29.837 -10.614 1.00 33.45 ? ? ? ? ? . 87 ILE A N 1622 ATOM 728 C CA . ILE A 1622 87 . -24.287 30.207 -11.933 1.00 36.59 ? ? ? ? ? . 87 ILE A CA 1622 ATOM 729 C C . ILE A 1622 87 . -23.570 31.542 -11.821 1.00 37.37 ? ? ? ? ? . 87 ILE A C 1622 ATOM 730 O O . ILE A 1622 87 . -24.165 32.534 -11.442 1.00 39.34 ? ? ? ? ? . 87 ILE A O 1622 ATOM 731 C CB . ILE A 1622 87 . -25.363 30.324 -12.977 1.00 39.64 ? ? ? ? ? . 87 ILE A CB 1622 ATOM 732 C CG1 . ILE A 1622 87 . -26.271 29.053 -13.007 1.00 41.63 ? ? ? ? ? . 87 ILE A CG1 1622 ATOM 733 C CG2 . ILE A 1622 87 . -24.719 30.570 -14.358 1.00 37.24 ? ? ? ? ? . 87 ILE A CG2 1622 ATOM 734 C CD1 . ILE A 1622 87 . -25.499 27.818 -13.279 1.00 40.61 ? ? ? ? ? . 87 ILE A CD1 1622 ATOM 735 N N . LEU A 1622 88 . -22.286 31.498 -12.136 1.00 40.38 ? ? ? ? ? . 88 LEU A N 1622 ATOM 736 C CA . LEU A 1622 88 . -21.356 32.624 -12.096 1.00 37.50 ? ? ? ? ? . 88 LEU A CA 1622 ATOM 737 C C . LEU A 1622 88 . -21.044 33.184 -13.461 1.00 40.26 ? ? ? ? ? . 88 LEU A C 1622 ATOM 738 O O . LEU A 1622 88 . -20.856 32.453 -14.418 1.00 37.40 ? ? ? ? ? . 88 LEU A O 1622 ATOM 739 C CB . LEU A 1622 88 . -20.067 32.206 -11.456 1.00 40.32 ? ? ? ? ? . 88 LEU A CB 1622 ATOM 740 C CG . LEU A 1622 88 . -20.203 31.537 -10.066 1.00 40.31 ? ? ? ? ? . 88 LEU A CG 1622 ATOM 741 C CD1 . LEU A 1622 88 . -18.856 30.947 -9.631 1.00 41.00 ? ? ? ? ? . 88 LEU A CD1 1622 ATOM 742 C CD2 . LEU A 1622 88 . -20.700 32.554 -9.097 1.00 39.97 ? ? ? ? ? . 88 LEU A CD2 1622 ATOM 743 N N . ASP A 1622 89 . -21.020 34.515 -13.568 1.00 41.17 ? ? ? ? ? . 89 ASP A N 1622 ATOM 744 C CA . ASP A 1622 89 . -20.643 35.139 -14.860 1.00 43.36 ? ? ? ? ? . 89 ASP A CA 1622 ATOM 745 C C . ASP A 1622 89 . -19.146 35.045 -15.054 1.00 41.37 ? ? ? ? ? . 89 ASP A C 1622 ATOM 746 O O . ASP A 1622 89 . -18.437 34.548 -14.216 1.00 42.05 ? ? ? ? ? . 89 ASP A O 1622 ATOM 747 C CB . ASP A 1622 89 . -21.176 36.617 -14.978 1.00 46.43 ? ? ? ? ? . 89 ASP A CB 1622 ATOM 748 C CG . ASP A 1622 89 . -20.594 37.565 -13.943 1.00 46.32 ? ? ? ? ? . 89 ASP A CG 1622 ATOM 749 O OD1 . ASP A 1622 89 . -19.472 37.364 -13.364 1.00 44.06 ? ? ? ? ? . 89 ASP A OD1 1622 ATOM 750 O OD2 . ASP A 1622 89 . -21.277 38.581 -13.703 1.00 47.47 ? ? ? ? ? 1- 89 ASP A OD2 1622 ATOM 751 N N . LYS A 1622 90 . -18.634 35.605 -16.151 1.00 47.48 ? ? ? ? ? . 90 LYS A N 1622 ATOM 752 C CA . LYS A 1622 90 . -17.211 35.508 -16.441 1.00 51.98 ? ? ? ? ? . 90 LYS A CA 1622 ATOM 753 C C . LYS A 1622 90 . -16.321 36.290 -15.508 1.00 47.05 ? ? ? ? ? . 90 LYS A C 1622 ATOM 754 O O . LYS A 1622 90 . -15.130 36.005 -15.404 1.00 52.25 ? ? ? ? ? . 90 LYS A O 1622 ATOM 755 C CB . LYS A 1622 90 . -16.946 35.866 -17.920 1.00 63.64 ? ? ? ? ? . 90 LYS A CB 1622 ATOM 756 C CG . LYS A 1622 90 . -17.207 37.319 -18.296 1.00 77.96 ? ? ? ? ? . 90 LYS A CG 1622 ATOM 757 C CD . LYS A 1622 90 . -17.091 37.543 -19.811 1.00 92.16 ? ? ? ? ? . 90 LYS A CD 1622 ATOM 758 C CE . LYS A 1622 90 . -17.721 38.862 -20.275 1.00 100.71 ? ? ? ? ? . 90 LYS A CE 1622 ATOM 759 N NZ . LYS A 1622 90 . -19.204 38.772 -20.479 1.00 110.92 ? ? ? ? ? 1+ 90 LYS A NZ 1622 ATOM 760 N N . GLU A 1622 91 . -16.900 37.236 -14.767 1.00 44.23 ? ? ? ? ? . 91 GLU A N 1622 ATOM 761 C CA . GLU A 1622 91 . -16.218 37.931 -13.724 1.00 51.74 ? ? ? ? ? . 91 GLU A CA 1622 ATOM 762 C C . GLU A 1622 91 . -16.388 37.134 -12.415 1.00 52.58 ? ? ? ? ? . 91 GLU A C 1622 ATOM 763 O O . GLU A 1622 91 . -15.937 37.561 -11.393 1.00 43.62 ? ? ? ? ? . 91 GLU A O 1622 ATOM 764 C CB . GLU A 1622 91 . -16.783 39.365 -13.592 1.00 59.27 ? ? ? ? ? . 91 GLU A CB 1622 ATOM 765 C CG . GLU A 1622 91 . -16.672 40.217 -14.873 1.00 64.29 ? ? ? ? ? . 91 GLU A CG 1622 ATOM 766 C CD . GLU A 1622 91 . -17.736 39.947 -15.974 1.00 71.49 ? ? ? ? ? . 91 GLU A CD 1622 ATOM 767 O OE1 . GLU A 1622 91 . -18.846 39.409 -15.715 1.00 66.11 ? ? ? ? ? . 91 GLU A OE1 1622 ATOM 768 O OE2 . GLU A 1622 91 . -17.466 40.291 -17.153 1.00 74.29 ? ? ? ? ? 1- 91 GLU A OE2 1622 ATOM 769 N N . HIS A 1622 92 . -17.063 35.968 -12.455 1.00 49.63 ? ? ? ? ? . 92 HIS A N 1622 ATOM 770 C CA . HIS A 1622 92 . -17.231 35.109 -11.264 1.00 42.41 ? ? ? ? ? . 92 HIS A CA 1622 ATOM 771 C C . HIS A 1622 92 . -18.179 35.658 -10.263 1.00 37.91 ? ? ? ? ? . 92 HIS A C 1622 ATOM 772 O O . HIS A 1622 92 . -18.062 35.410 -9.098 1.00 45.21 ? ? ? ? ? . 92 HIS A O 1622 ATOM 773 C CB . HIS A 1622 92 . -15.898 34.728 -10.638 1.00 42.97 ? ? ? ? ? . 92 HIS A CB 1622 ATOM 774 C CG . HIS A 1622 92 . -14.818 34.509 -11.636 1.00 44.82 ? ? ? ? ? . 92 HIS A CG 1622 ATOM 775 C CD2 . HIS A 1622 92 . -13.583 35.064 -11.754 1.00 44.83 ? ? ? ? ? . 92 HIS A CD2 1622 ATOM 776 N ND1 . HIS A 1622 92 . -14.960 33.648 -12.712 1.00 44.96 ? ? ? ? ? . 92 HIS A ND1 1622 ATOM 777 C CE1 . HIS A 1622 92 . -13.853 33.672 -13.434 1.00 44.74 ? ? ? ? ? . 92 HIS A CE1 1622 ATOM 778 N NE2 . HIS A 1622 92 . -13.014 34.537 -12.890 1.00 40.91 ? ? ? ? ? . 92 HIS A NE2 1622 ATOM 779 N N . ARG A 1622 93 . -19.202 36.363 -10.717 1.00 44.24 ? ? ? ? ? . 93 ARG A N 1622 ATOM 780 C CA . ARG A 1622 93 . -20.214 36.908 -9.844 1.00 47.99 ? ? ? ? ? . 93 ARG A CA 1622 ATOM 781 C C . ARG A 1622 93 . -21.484 36.148 -10.067 1.00 44.05 ? ? ? ? ? . 93 ARG A C 1622 ATOM 782 O O . ARG A 1622 93 . -21.832 35.872 -11.205 1.00 41.19 ? ? ? ? ? . 93 ARG A O 1622 ATOM 783 C CB . ARG A 1622 93 . -20.463 38.407 -10.174 1.00 55.66 ? ? ? ? ? . 93 ARG A CB 1622 ATOM 784 C CG . ARG A 1622 93 . -19.462 39.314 -9.469 1.00 70.58 ? ? ? ? ? . 93 ARG A CG 1622 ATOM 785 C CD . ARG A 1622 93 . -19.836 40.806 -9.579 1.00 84.66 ? ? ? ? ? . 93 ARG A CD 1622 ATOM 786 N NE . ARG A 1622 93 . -18.913 41.534 -10.460 1.00 96.90 ? ? ? ? ? . 93 ARG A NE 1622 ATOM 787 C CZ . ARG A 1622 93 . -18.876 42.861 -10.634 1.00 95.66 ? ? ? ? ? . 93 ARG A CZ 1622 ATOM 788 N NH1 . ARG A 1622 93 . -17.950 43.356 -11.455 1.00 94.11 ? ? ? ? ? 1+ 93 ARG A NH1 1622 ATOM 789 N NH2 . ARG A 1622 93 . -19.735 43.691 -10.011 1.00 81.32 ? ? ? ? ? . 93 ARG A NH2 1622 ATOM 790 N N . PRO A 1622 94 . -22.229 35.841 -8.989 1.00 49.07 ? ? ? ? ? . 94 PRO A N 1622 ATOM 791 C CA . PRO A 1622 94 . -23.482 35.120 -9.200 1.00 49.71 ? ? ? ? ? . 94 PRO A CA 1622 ATOM 792 C C . PRO A 1622 94 . -24.460 35.899 -10.043 1.00 56.21 ? ? ? ? ? . 94 PRO A C 1622 ATOM 793 O O . PRO A 1622 94 . -24.723 37.071 -9.780 1.00 52.93 ? ? ? ? ? . 94 PRO A O 1622 ATOM 794 C CB . PRO A 1622 94 . -24.051 34.933 -7.788 1.00 52.30 ? ? ? ? ? . 94 PRO A CB 1622 ATOM 795 C CG . PRO A 1622 94 . -23.332 35.945 -6.958 1.00 55.62 ? ? ? ? ? . 94 PRO A CG 1622 ATOM 796 C CD . PRO A 1622 94 . -21.982 36.118 -7.567 1.00 49.98 ? ? ? ? ? . 94 PRO A CD 1622 ATOM 797 N N . VAL A 1622 95 . -24.983 35.222 -11.047 1.00 43.15 ? ? ? ? ? . 95 VAL A N 1622 ATOM 798 C CA . VAL A 1622 95 . -26.065 35.721 -11.890 1.00 46.11 ? ? ? ? ? . 95 VAL A CA 1622 ATOM 799 C C . VAL A 1622 95 . -27.350 35.053 -11.587 1.00 45.61 ? ? ? ? ? . 95 VAL A C 1622 ATOM 800 O O . VAL A 1622 95 . -28.428 35.669 -11.666 1.00 40.35 ? ? ? ? ? . 95 VAL A O 1622 ATOM 801 C CB . VAL A 1622 95 . -25.716 35.651 -13.414 1.00 52.85 ? ? ? ? ? . 95 VAL A CB 1622 ATOM 802 C CG1 . VAL A 1622 95 . -24.484 36.468 -13.677 1.00 63.98 ? ? ? ? ? . 95 VAL A CG1 1622 ATOM 803 C CG2 . VAL A 1622 95 . -25.450 34.260 -13.931 1.00 50.09 ? ? ? ? ? . 95 VAL A CG2 1622 ATOM 804 N N . GLU A 1622 96 . -27.269 33.799 -11.121 1.00 39.71 ? ? ? ? ? . 96 GLU A N 1622 ATOM 805 C CA . GLU A 1622 96 . -28.450 33.038 -10.953 1.00 42.23 ? ? ? ? ? . 96 GLU A CA 1622 ATOM 806 C C . GLU A 1622 96 . -28.156 31.929 -9.982 1.00 37.76 ? ? ? ? ? . 96 GLU A C 1622 ATOM 807 O O . GLU A 1622 96 . -27.037 31.387 -9.980 1.00 36.04 ? ? ? ? ? . 96 GLU A O 1622 ATOM 808 C CB . GLU A 1622 96 . -28.782 32.541 -12.325 1.00 44.67 ? ? ? ? ? . 96 GLU A CB 1622 ATOM 809 C CG . GLU A 1622 96 . -29.789 31.511 -12.564 1.00 49.67 ? ? ? ? ? . 96 GLU A CG 1622 ATOM 810 C CD . GLU A 1622 96 . -29.996 31.390 -14.056 1.00 47.89 ? ? ? ? ? . 96 GLU A CD 1622 ATOM 811 O OE1 . GLU A 1622 96 . -30.833 32.149 -14.594 1.00 44.43 ? ? ? ? ? . 96 GLU A OE1 1622 ATOM 812 O OE2 . GLU A 1622 96 . -29.301 30.553 -14.679 1.00 43.92 ? ? ? ? ? 1- 96 GLU A OE2 1622 ATOM 813 N N . LYS A 1622 97 . -29.159 31.597 -9.194 1.00 37.09 ? ? ? ? ? . 97 LYS A N 1622 ATOM 814 C CA . LYS A 1622 97 . -29.058 30.495 -8.220 1.00 33.22 ? ? ? ? ? . 97 LYS A CA 1622 ATOM 815 C C . LYS A 1622 97 . -30.251 29.639 -8.277 1.00 37.93 ? ? ? ? ? . 97 LYS A C 1622 ATOM 816 O O . LYS A 1622 97 . -31.382 30.118 -8.149 1.00 35.79 ? ? ? ? ? . 97 LYS A O 1622 ATOM 817 C CB . LYS A 1622 97 . -28.857 31.037 -6.811 1.00 37.11 ? ? ? ? ? . 97 LYS A CB 1622 ATOM 818 C CG . LYS A 1622 97 . -27.581 31.816 -6.612 1.00 37.58 ? ? ? ? ? . 97 LYS A CG 1622 ATOM 819 C CD . LYS A 1622 97 . -27.460 32.219 -5.145 1.00 40.16 ? ? ? ? ? . 97 LYS A CD 1622 ATOM 820 C CE . LYS A 1622 97 . -26.139 32.938 -4.859 1.00 45.87 ? ? ? ? ? . 97 LYS A CE 1622 ATOM 821 N NZ . LYS A 1622 97 . -26.086 33.229 -3.356 1.00 45.89 ? ? ? ? ? 1+ 97 LYS A NZ 1622 ATOM 822 N N . PHE A 1622 98 . -30.009 28.319 -8.385 1.00 33.28 ? ? ? ? ? . 98 PHE A N 1622 ATOM 823 C CA . PHE A 1622 98 . -31.071 27.379 -8.288 1.00 33.12 ? ? ? ? ? . 98 PHE A CA 1622 ATOM 824 C C . PHE A 1622 98 . -31.028 26.806 -6.880 1.00 35.91 ? ? ? ? ? . 98 PHE A C 1622 ATOM 825 O O . PHE A 1622 98 . -30.093 26.031 -6.544 1.00 34.86 ? ? ? ? ? . 98 PHE A O 1622 ATOM 826 C CB . PHE A 1622 98 . -30.855 26.279 -9.303 1.00 34.14 ? ? ? ? ? . 98 PHE A CB 1622 ATOM 827 C CG . PHE A 1622 98 . -31.114 26.719 -10.715 1.00 35.02 ? ? ? ? ? . 98 PHE A CG 1622 ATOM 828 C CD1 . PHE A 1622 98 . -30.173 27.420 -11.404 1.00 36.43 ? ? ? ? ? . 98 PHE A CD1 1622 ATOM 829 C CD2 . PHE A 1622 98 . -32.340 26.434 -11.334 1.00 36.82 ? ? ? ? ? . 98 PHE A CD2 1622 ATOM 830 C CE1 . PHE A 1622 98 . -30.421 27.850 -12.721 1.00 38.01 ? ? ? ? ? . 98 PHE A CE1 1622 ATOM 831 C CE2 . PHE A 1622 98 . -32.590 26.864 -12.632 1.00 38.98 ? ? ? ? ? . 98 PHE A CE2 1622 ATOM 832 C CZ . PHE A 1622 98 . -31.652 27.595 -13.300 1.00 35.39 ? ? ? ? ? . 98 PHE A CZ 1622 ATOM 833 N N . VAL A 1622 99 . -32.016 27.172 -6.089 1.00 30.46 ? ? ? ? ? . 99 VAL A N 1622 ATOM 834 C CA . VAL A 1622 99 . -32.042 26.862 -4.639 1.00 30.37 ? ? ? ? ? . 99 VAL A CA 1622 ATOM 835 C C . VAL A 1622 99 . -32.919 25.663 -4.367 1.00 35.31 ? ? ? ? ? . 99 VAL A C 1622 ATOM 836 O O . VAL A 1622 99 . -34.129 25.730 -4.617 1.00 34.94 ? ? ? ? ? . 99 VAL A O 1622 ATOM 837 C CB . VAL A 1622 99 . -32.508 28.053 -3.820 1.00 34.56 ? ? ? ? ? . 99 VAL A CB 1622 ATOM 838 C CG1 . VAL A 1622 99 . -32.505 27.706 -2.298 1.00 37.24 ? ? ? ? ? . 99 VAL A CG1 1622 ATOM 839 C CG2 . VAL A 1622 99 . -31.571 29.230 -4.063 1.00 34.94 ? ? ? ? ? . 99 VAL A CG2 1622 ATOM 840 N N . PHE A 1622 100 . -32.326 24.560 -3.907 1.00 31.69 ? ? ? ? ? . 100 PHE A N 1622 ATOM 841 C CA . PHE A 1622 100 . -33.141 23.413 -3.425 1.00 32.08 ? ? ? ? ? . 100 PHE A CA 1622 ATOM 842 C C . PHE A 1622 100 . -33.136 23.511 -1.874 1.00 36.88 ? ? ? ? ? . 100 PHE A C 1622 ATOM 843 O O . PHE A 1622 100 . -32.133 23.224 -1.224 1.00 32.93 ? ? ? ? ? . 100 PHE A O 1622 ATOM 844 C CB . PHE A 1622 100 . -32.548 22.099 -3.868 1.00 30.85 ? ? ? ? ? . 100 PHE A CB 1622 ATOM 845 C CG . PHE A 1622 100 . -32.475 21.932 -5.365 1.00 31.72 ? ? ? ? ? . 100 PHE A CG 1622 ATOM 846 C CD1 . PHE A 1622 100 . -31.452 22.495 -6.096 1.00 32.81 ? ? ? ? ? . 100 PHE A CD1 1622 ATOM 847 C CD2 . PHE A 1622 100 . -33.436 21.210 -6.051 1.00 33.34 ? ? ? ? ? . 100 PHE A CD2 1622 ATOM 848 C CE1 . PHE A 1622 100 . -31.443 22.402 -7.460 1.00 36.10 ? ? ? ? ? . 100 PHE A CE1 1622 ATOM 849 C CE2 . PHE A 1622 100 . -33.370 21.061 -7.411 1.00 31.55 ? ? ? ? ? . 100 PHE A CE2 1622 ATOM 850 C CZ . PHE A 1622 100 . -32.382 21.638 -8.119 1.00 34.38 ? ? ? ? ? . 100 PHE A CZ 1622 ATOM 851 N N . GLU A 1622 101 . -34.215 24.014 -1.328 1.00 34.31 ? ? ? ? ? . 101 GLU A N 1622 ATOM 852 C CA . GLU A 1622 101 . -34.411 24.182 0.103 1.00 31.99 ? ? ? ? ? . 101 GLU A CA 1622 ATOM 853 C C . GLU A 1622 101 . -35.080 22.957 0.682 1.00 36.60 ? ? ? ? ? . 101 GLU A C 1622 ATOM 854 O O . GLU A 1622 101 . -36.176 22.583 0.261 1.00 37.24 ? ? ? ? ? . 101 GLU A O 1622 ATOM 855 C CB . GLU A 1622 101 . -35.270 25.450 0.309 1.00 35.79 ? ? ? ? ? . 101 GLU A CB 1622 ATOM 856 C CG . GLU A 1622 101 . -35.455 25.797 1.765 1.00 38.89 ? ? ? ? ? . 101 GLU A CG 1622 ATOM 857 C CD . GLU A 1622 101 . -35.998 27.194 2.008 1.00 47.84 ? ? ? ? ? . 101 GLU A CD 1622 ATOM 858 O OE1 . GLU A 1622 101 . -36.454 27.839 1.102 1.00 45.38 ? ? ? ? ? . 101 GLU A OE1 1622 ATOM 859 O OE2 . GLU A 1622 101 . -35.988 27.638 3.133 1.00 54.19 ? ? ? ? ? 1- 101 GLU A OE2 1622 ATOM 860 N N . ILE A 1622 102 . -34.421 22.313 1.639 1.00 35.39 ? ? ? ? ? . 102 ILE A N 1622 ATOM 861 C CA . ILE A 1622 102 . -34.700 20.909 2.111 1.00 35.42 ? ? ? ? ? . 102 ILE A CA 1622 ATOM 862 C C . ILE A 1622 102 . -34.978 20.998 3.602 1.00 42.58 ? ? ? ? ? . 102 ILE A C 1622 ATOM 863 O O . ILE A 1622 102 . -34.245 21.636 4.342 1.00 40.78 ? ? ? ? ? . 102 ILE A O 1622 ATOM 864 C CB . ILE A 1622 102 . -33.453 20.079 1.754 1.00 37.33 ? ? ? ? ? . 102 ILE A CB 1622 ATOM 865 C CG1 . ILE A 1622 102 . -33.445 19.827 0.217 1.00 43.06 ? ? ? ? ? . 102 ILE A CG1 1622 ATOM 866 C CG2 . ILE A 1622 102 . -33.243 18.813 2.532 1.00 39.59 ? ? ? ? ? . 102 ILE A CG2 1622 ATOM 867 C CD1 . ILE A 1622 102 . -32.070 19.480 -0.345 1.00 48.81 ? ? ? ? ? . 102 ILE A CD1 1622 ATOM 868 N N . THR A 1622 103 . -36.072 20.408 4.054 1.00 35.39 ? ? ? ? ? . 103 THR A N 1622 ATOM 869 C CA . THR A 1622 103 . -36.314 20.211 5.468 1.00 33.21 ? ? ? ? ? . 103 THR A CA 1622 ATOM 870 C C . THR A 1622 103 . -36.601 18.751 5.722 1.00 36.10 ? ? ? ? ? . 103 THR A C 1622 ATOM 871 O O . THR A 1622 103 . -37.372 18.194 4.978 1.00 35.81 ? ? ? ? ? . 103 THR A O 1622 ATOM 872 C CB . THR A 1622 103 . -37.492 21.060 5.914 1.00 37.86 ? ? ? ? ? . 103 THR A CB 1622 ATOM 873 C CG2 . THR A 1622 103 . -37.650 21.082 7.387 1.00 40.73 ? ? ? ? ? . 103 THR A CG2 1622 ATOM 874 O OG1 . THR A 1622 103 . -37.233 22.382 5.490 1.00 46.33 ? ? ? ? ? . 103 THR A OG1 1622 ATOM 875 N N . GLN A 1622 104 . -35.952 18.160 6.725 1.00 34.55 ? ? ? ? ? . 104 GLN A N 1622 ATOM 876 C CA . GLN A 1622 104 . -36.122 16.758 7.109 1.00 33.54 ? ? ? ? ? . 104 GLN A CA 1622 ATOM 877 C C . GLN A 1622 104 . -36.531 16.757 8.582 1.00 35.84 ? ? ? ? ? . 104 GLN A C 1622 ATOM 878 O O . GLN A 1622 104 . -35.689 16.617 9.519 1.00 38.65 ? ? ? ? ? . 104 GLN A O 1622 ATOM 879 C CB . GLN A 1622 104 . -34.826 15.984 6.937 1.00 34.41 ? ? ? ? ? . 104 GLN A CB 1622 ATOM 880 C CG . GLN A 1622 104 . -34.212 16.057 5.586 1.00 34.52 ? ? ? ? ? . 104 GLN A CG 1622 ATOM 881 C CD . GLN A 1622 104 . -33.099 15.045 5.478 1.00 38.07 ? ? ? ? ? . 104 GLN A CD 1622 ATOM 882 N NE2 . GLN A 1622 104 . -31.842 15.515 5.443 1.00 36.00 ? ? ? ? ? . 104 GLN A NE2 1622 ATOM 883 O OE1 . GLN A 1622 104 . -33.361 13.869 5.566 1.00 39.76 ? ? ? ? ? . 104 GLN A OE1 1622 ATOM 884 N N . PRO A 1622 105 . -37.817 16.946 8.821 1.00 38.13 ? ? ? ? ? . 105 PRO A N 1622 ATOM 885 C CA . PRO A 1622 105 . -38.205 16.959 10.245 1.00 37.33 ? ? ? ? ? . 105 PRO A CA 1622 ATOM 886 C C . PRO A 1622 105 . -37.954 15.598 10.945 1.00 33.33 ? ? ? ? ? . 105 PRO A C 1622 ATOM 887 O O . PRO A 1622 105 . -38.025 14.540 10.282 1.00 34.87 ? ? ? ? ? . 105 PRO A O 1622 ATOM 888 C CB . PRO A 1622 105 . -39.708 17.307 10.210 1.00 44.93 ? ? ? ? ? . 105 PRO A CB 1622 ATOM 889 C CG . PRO A 1622 105 . -40.111 17.479 8.765 1.00 45.86 ? ? ? ? ? . 105 PRO A CG 1622 ATOM 890 C CD . PRO A 1622 105 . -38.956 17.113 7.881 1.00 39.34 ? ? ? ? ? . 105 PRO A CD 1622 ATOM 891 N N . PRO A 1622 106 . -37.768 15.605 12.287 1.00 33.24 ? ? ? ? ? . 106 PRO A N 1622 ATOM 892 C CA . PRO A 1622 106 . -37.520 14.350 12.998 1.00 33.33 ? ? ? ? ? . 106 PRO A CA 1622 ATOM 893 C C . PRO A 1622 106 . -38.740 13.397 13.012 1.00 37.44 ? ? ? ? ? . 106 PRO A C 1622 ATOM 894 O O . PRO A 1622 106 . -38.573 12.203 13.114 1.00 35.70 ? ? ? ? ? . 106 PRO A O 1622 ATOM 895 C CB . PRO A 1622 106 . -37.144 14.794 14.422 1.00 36.56 ? ? ? ? ? . 106 PRO A CB 1622 ATOM 896 C CG . PRO A 1622 106 . -37.585 16.169 14.529 1.00 38.29 ? ? ? ? ? . 106 PRO A CG 1622 ATOM 897 C CD . PRO A 1622 106 . -37.648 16.776 13.156 1.00 36.05 ? ? ? ? ? . 106 PRO A CD 1622 ATOM 898 N N . LEU A 1622 107 . -39.936 13.944 12.958 1.00 35.27 ? ? ? ? ? . 107 LEU A N 1622 ATOM 899 C CA . LEU A 1622 107 . -41.126 13.108 12.900 1.00 37.99 ? ? ? ? ? . 107 LEU A CA 1622 ATOM 900 C C . LEU A 1622 107 . -41.691 13.184 11.503 1.00 40.67 ? ? ? ? ? . 107 LEU A C 1622 ATOM 901 O O . LEU A 1622 107 . -41.712 14.236 10.874 1.00 40.76 ? ? ? ? ? . 107 LEU A O 1622 ATOM 902 C CB . LEU A 1622 107 . -42.143 13.614 13.877 1.00 40.19 ? ? ? ? ? . 107 LEU A CB 1622 ATOM 903 C CG . LEU A 1622 107 . -41.777 13.603 15.360 1.00 44.56 ? ? ? ? ? . 107 LEU A CG 1622 ATOM 904 C CD1 . LEU A 1622 107 . -42.874 14.353 16.177 1.00 45.72 ? ? ? ? ? . 107 LEU A CD1 1622 ATOM 905 C CD2 . LEU A 1622 107 . -41.681 12.150 15.808 1.00 49.30 ? ? ? ? ? . 107 LEU A CD2 1622 ATOM 906 N N . LEU A 1622 108 . -42.185 12.069 10.998 1.00 41.24 ? ? ? ? ? . 108 LEU A N 1622 ATOM 907 C CA . LEU A 1622 108 . -42.851 12.091 9.682 1.00 46.92 ? ? ? ? ? . 108 LEU A CA 1622 ATOM 908 C C . LEU A 1622 108 . -44.200 12.819 9.835 1.00 49.44 ? ? ? ? ? . 108 LEU A C 1622 ATOM 909 O O . LEU A 1622 108 . -44.836 12.678 10.855 1.00 50.52 ? ? ? ? ? . 108 LEU A O 1622 ATOM 910 C CB . LEU A 1622 108 . -43.118 10.694 9.166 1.00 46.61 ? ? ? ? ? . 108 LEU A CB 1622 ATOM 911 C CG . LEU A 1622 108 . -41.972 10.099 8.379 1.00 62.83 ? ? ? ? ? . 108 LEU A CG 1622 ATOM 912 C CD1 . LEU A 1622 108 . -40.709 9.954 9.198 1.00 56.83 ? ? ? ? ? . 108 LEU A CD1 1622 ATOM 913 C CD2 . LEU A 1622 108 . -42.387 8.749 7.809 1.00 65.45 ? ? ? ? ? . 108 LEU A CD2 1622 ATOM 914 N N . SER A 1622 109 . -44.585 13.602 8.826 1.00 49.70 ? ? ? ? ? . 109 SER A N 1622 ATOM 915 C CA . SER A 1622 109 . -45.911 14.185 8.775 1.00 59.64 ? ? ? ? ? . 109 SER A CA 1622 ATOM 916 C C . SER A 1622 109 . -46.857 13.098 8.241 1.00 58.87 ? ? ? ? ? . 109 SER A C 1622 ATOM 917 O O . SER A 1622 109 . -46.910 12.803 7.032 1.00 58.02 ? ? ? ? ? . 109 SER A O 1622 ATOM 918 C CB . SER A 1622 109 . -45.959 15.425 7.916 1.00 58.50 ? ? ? ? ? . 109 SER A CB 1622 ATOM 919 O OG . SER A 1622 109 . -47.313 15.679 7.608 1.00 76.63 ? ? ? ? ? . 109 SER A OG 1622 ATOM 920 N N . ILE A 1622 110 . -47.503 12.463 9.197 1.00 63.59 ? ? ? ? ? . 110 ILE A N 1622 ATOM 921 C CA . ILE A 1622 110 . -48.685 11.594 9.033 1.00 82.09 ? ? ? ? ? . 110 ILE A CA 1622 ATOM 922 C C . ILE A 1622 110 . -49.661 11.948 7.869 1.00 79.57 ? ? ? ? ? . 110 ILE A C 1622 ATOM 923 O O . ILE A 1622 110 . -50.050 11.082 7.075 1.00 80.09 ? ? ? ? ? . 110 ILE A O 1622 ATOM 924 C CB . ILE A 1622 110 . -49.424 11.485 10.440 1.00 89.16 ? ? ? ? ? . 110 ILE A CB 1622 ATOM 925 C CG1 . ILE A 1622 110 . -49.411 10.033 10.942 1.00 90.63 ? ? ? ? ? . 110 ILE A CG1 1622 ATOM 926 C CG2 . ILE A 1622 110 . -50.797 12.183 10.497 1.00 88.45 ? ? ? ? ? . 110 ILE A CG2 1622 ATOM 927 C CD1 . ILE A 1622 110 . -48.014 9.550 11.340 1.00 93.07 ? ? ? ? ? . 110 ILE A CD1 1622 ATOM 928 N N . SER A 1622 111 . -50.018 13.218 7.752 1.00 76.78 ? ? ? ? ? . 111 SER A N 1622 ATOM 929 C CA . SER A 1622 111 . -51.074 13.630 6.832 1.00 79.89 ? ? ? ? ? . 111 SER A CA 1622 ATOM 930 C C . SER A 1622 111 . -50.625 13.885 5.386 1.00 79.60 ? ? ? ? ? . 111 SER A C 1622 ATOM 931 O O . SER A 1622 111 . -51.472 14.004 4.502 1.00 69.56 ? ? ? ? ? . 111 SER A O 1622 ATOM 932 C CB . SER A 1622 111 . -51.721 14.901 7.368 1.00 78.77 ? ? ? ? ? . 111 SER A CB 1622 ATOM 933 O OG . SER A 1622 111 . -50.784 15.956 7.319 1.00 82.09 ? ? ? ? ? . 111 SER A OG 1622 ATOM 934 N N . SER A 1622 112 . -49.316 14.004 5.149 1.00 66.41 ? ? ? ? ? . 112 SER A N 1622 ATOM 935 C CA . SER A 1622 112 . -48.807 14.345 3.820 1.00 61.02 ? ? ? ? ? . 112 SER A CA 1622 ATOM 936 C C . SER A 1622 112 . -48.644 13.094 2.973 1.00 54.93 ? ? ? ? ? . 112 SER A C 1622 ATOM 937 O O . SER A 1622 112 . -48.621 11.987 3.493 1.00 56.43 ? ? ? ? ? . 112 SER A O 1622 ATOM 938 C CB . SER A 1622 112 . -47.474 15.095 3.955 1.00 56.98 ? ? ? ? ? . 112 SER A CB 1622 ATOM 939 O OG . SER A 1622 112 . -47.658 16.276 4.707 1.00 55.88 ? ? ? ? ? . 112 SER A OG 1622 ATOM 940 N N . ASP A 1622 113 . -48.495 13.250 1.668 1.00 57.33 ? ? ? ? ? . 113 ASP A N 1622 ATOM 941 C CA . ASP A 1622 113 . -48.396 12.051 0.857 1.00 58.33 ? ? ? ? ? . 113 ASP A CA 1622 ATOM 942 C C . ASP A 1622 113 . -47.033 11.386 1.059 1.00 57.14 ? ? ? ? ? . 113 ASP A C 1622 ATOM 943 O O . ASP A 1622 113 . -46.023 12.036 1.411 1.00 44.94 ? ? ? ? ? . 113 ASP A O 1622 ATOM 944 C CB . ASP A 1622 113 . -48.832 12.218 -0.606 1.00 75.84 ? ? ? ? ? . 113 ASP A CB 1622 ATOM 945 C CG . ASP A 1622 113 . -48.100 13.296 -1.330 1.00 90.42 ? ? ? ? ? . 113 ASP A CG 1622 ATOM 946 O OD1 . ASP A 1622 113 . -46.855 13.315 -1.234 1.00 95.54 ? ? ? ? ? . 113 ASP A OD1 1622 ATOM 947 O OD2 . ASP A 1622 113 . -48.784 14.111 -2.020 1.00 90.25 ? ? ? ? ? 1- 113 ASP A OD2 1622 ATOM 948 N N . SER A 1622 114 . -47.061 10.079 0.898 1.00 47.05 ? ? ? ? ? . 114 SER A N 1622 ATOM 949 C CA . SER A 1622 114 . -45.907 9.229 1.062 1.00 50.97 ? ? ? ? ? . 114 SER A CA 1622 ATOM 950 C C . SER A 1622 114 . -44.876 9.487 0.013 1.00 51.32 ? ? ? ? ? . 114 SER A C 1622 ATOM 951 O O . SER A 1622 114 . -45.142 9.266 -1.175 1.00 47.42 ? ? ? ? ? . 114 SER A O 1622 ATOM 952 C CB . SER A 1622 114 . -46.317 7.778 0.978 1.00 47.26 ? ? ? ? ? . 114 SER A CB 1622 ATOM 953 O OG . SER A 1622 114 . -45.190 6.948 0.803 1.00 54.63 ? ? ? ? ? . 114 SER A OG 1622 ATOM 954 N N . LEU A 1622 115 . -43.679 9.917 0.423 1.00 50.50 ? ? ? ? ? . 115 LEU A N 1622 ATOM 955 C CA . LEU A 1622 115 . -42.661 10.193 -0.586 1.00 48.46 ? ? ? ? ? . 115 LEU A CA 1622 ATOM 956 C C . LEU A 1622 115 . -42.329 8.904 -1.264 1.00 40.64 ? ? ? ? ? . 115 LEU A C 1622 ATOM 957 O O . LEU A 1622 115 . -42.148 8.876 -2.474 1.00 43.68 ? ? ? ? ? . 115 LEU A O 1622 ATOM 958 C CB . LEU A 1622 115 . -41.345 10.767 -0.027 1.00 45.94 ? ? ? ? ? . 115 LEU A CB 1622 ATOM 959 C CG . LEU A 1622 115 . -40.308 11.224 -1.081 1.00 50.78 ? ? ? ? ? . 115 LEU A CG 1622 ATOM 960 C CD1 . LEU A 1622 115 . -40.780 12.462 -1.793 1.00 58.94 ? ? ? ? ? . 115 LEU A CD1 1622 ATOM 961 C CD2 . LEU A 1622 115 . -38.952 11.485 -0.457 1.00 60.53 ? ? ? ? ? . 115 LEU A CD2 1622 ATOM 962 N N . LEU A 1622 116 . -42.186 7.837 -0.493 1.00 41.56 ? ? ? ? ? . 116 LEU A N 1622 ATOM 963 C CA . LEU A 1622 116 . -41.619 6.616 -1.098 1.00 46.98 ? ? ? ? ? . 116 LEU A CA 1622 ATOM 964 C C . LEU A 1622 116 . -42.615 5.899 -2.010 1.00 52.38 ? ? ? ? ? . 116 LEU A C 1622 ATOM 965 O O . LEU A 1622 116 . -42.213 5.186 -2.886 1.00 55.72 ? ? ? ? ? . 116 LEU A O 1622 ATOM 966 C CB . LEU A 1622 116 . -41.103 5.641 -0.041 1.00 48.82 ? ? ? ? ? . 116 LEU A CB 1622 ATOM 967 C CG . LEU A 1622 116 . -40.032 6.153 0.940 1.00 45.65 ? ? ? ? ? . 116 LEU A CG 1622 ATOM 968 C CD1 . LEU A 1622 116 . -39.604 5.036 1.844 1.00 48.67 ? ? ? ? ? . 116 LEU A CD1 1622 ATOM 969 C CD2 . LEU A 1622 116 . -38.828 6.677 0.198 1.00 48.59 ? ? ? ? ? . 116 LEU A CD2 1622 ATOM 970 N N . SER A 1622 117 . -43.900 6.126 -1.808 1.00 46.65 ? ? ? ? ? . 117 SER A N 1622 ATOM 971 C CA . SER A 1622 117 . -44.896 5.513 -2.690 1.00 51.84 ? ? ? ? ? . 117 SER A CA 1622 ATOM 972 C C . SER A 1622 117 . -45.087 6.300 -3.957 1.00 55.17 ? ? ? ? ? . 117 SER A C 1622 ATOM 973 O O . SER A 1622 117 . -45.519 5.733 -4.919 1.00 59.72 ? ? ? ? ? . 117 SER A O 1622 ATOM 974 C CB . SER A 1622 117 . -46.241 5.385 -1.989 1.00 54.31 ? ? ? ? ? . 117 SER A CB 1622 ATOM 975 O OG . SER A 1622 117 . -46.069 4.530 -0.886 1.00 62.40 ? ? ? ? ? . 117 SER A OG 1622 ATOM 976 N N . HIS A 1622 118 . -44.765 7.588 -3.951 1.00 45.95 ? ? ? ? ? . 118 HIS A N 1622 ATOM 977 C CA . HIS A 1622 118 . -45.000 8.424 -5.109 1.00 50.52 ? ? ? ? ? . 118 HIS A CA 1622 ATOM 978 C C . HIS A 1622 118 . -43.720 9.138 -5.553 1.00 45.36 ? ? ? ? ? . 118 HIS A C 1622 ATOM 979 O O . HIS A 1622 118 . -43.791 10.261 -6.033 1.00 41.65 ? ? ? ? ? . 118 HIS A O 1622 ATOM 980 C CB . HIS A 1622 118 . -46.063 9.476 -4.764 1.00 51.31 ? ? ? ? ? . 118 HIS A CB 1622 ATOM 981 C CG . HIS A 1622 118 . -47.368 8.888 -4.302 1.00 61.83 ? ? ? ? ? . 118 HIS A CG 1622 ATOM 982 C CD2 . HIS A 1622 118 . -47.988 8.935 -3.098 1.00 62.60 ? ? ? ? ? . 118 HIS A CD2 1622 ATOM 983 N ND1 . HIS A 1622 118 . -48.184 8.138 -5.131 1.00 59.46 ? ? ? ? ? . 118 HIS A ND1 1622 ATOM 984 C CE1 . HIS A 1622 118 . -49.244 7.731 -4.450 1.00 63.56 ? ? ? ? ? . 118 HIS A CE1 1622 ATOM 985 N NE2 . HIS A 1622 118 . -49.153 8.202 -3.214 1.00 62.04 ? ? ? ? ? . 118 HIS A NE2 1622 ATOM 986 N N . VAL A 1622 119 . -42.563 8.492 -5.418 1.00 47.25 ? ? ? ? ? . 119 VAL A N 1622 ATOM 987 C CA . VAL A 1622 119 . -41.321 9.253 -5.584 1.00 47.03 ? ? ? ? ? . 119 VAL A CA 1622 ATOM 988 C C . VAL A 1622 119 . -41.163 9.705 -7.029 1.00 41.95 ? ? ? ? ? . 119 VAL A C 1622 ATOM 989 O O . VAL A 1622 119 . -40.724 10.835 -7.265 1.00 44.02 ? ? ? ? ? . 119 VAL A O 1622 ATOM 990 C CB . VAL A 1622 119 . -40.072 8.482 -5.026 1.00 48.11 ? ? ? ? ? . 119 VAL A CB 1622 ATOM 991 C CG1 . VAL A 1622 119 . -39.653 7.375 -5.960 1.00 53.75 ? ? ? ? ? . 119 VAL A CG1 1622 ATOM 992 C CG2 . VAL A 1622 119 . -38.953 9.452 -4.748 1.00 49.16 ? ? ? ? ? . 119 VAL A CG2 1622 ATOM 993 N N . GLU A 1622 120 . -41.576 8.854 -7.993 1.00 42.54 ? ? ? ? ? . 120 GLU A N 1622 ATOM 994 C CA . GLU A 1622 120 . -41.495 9.144 -9.423 1.00 45.38 ? ? ? ? ? . 120 GLU A CA 1622 ATOM 995 C C . GLU A 1622 120 . -42.271 10.416 -9.726 1.00 49.22 ? ? ? ? ? . 120 GLU A C 1622 ATOM 996 O O . GLU A 1622 120 . -41.784 11.397 -10.255 1.00 42.71 ? ? ? ? ? . 120 GLU A O 1622 ATOM 997 C CB . GLU A 1622 120 . -42.085 7.979 -10.251 1.00 56.99 ? ? ? ? ? . 120 GLU A CB 1622 ATOM 998 C CG . GLU A 1622 120 . -41.204 7.358 -11.301 1.00 66.48 ? ? ? ? ? . 120 GLU A CG 1622 ATOM 999 C CD . GLU A 1622 120 . -40.345 6.214 -10.807 1.00 76.99 ? ? ? ? ? . 120 GLU A CD 1622 ATOM 1000 O OE1 . GLU A 1622 120 . -40.491 5.799 -9.634 1.00 85.86 ? ? ? ? ? . 120 GLU A OE1 1622 ATOM 1001 O OE2 . GLU A 1622 120 . -39.523 5.701 -11.611 1.00 86.64 ? ? ? ? ? 1- 120 GLU A OE2 1622 ATOM 1002 N N . GLN A 1622 121 . -43.532 10.390 -9.382 1.00 44.89 ? ? ? ? ? . 121 GLN A N 1622 ATOM 1003 C CA . GLN A 1622 121 . -44.387 11.494 -9.717 1.00 47.27 ? ? ? ? ? . 121 GLN A CA 1622 ATOM 1004 C C . GLN A 1622 121 . -44.009 12.745 -9.001 1.00 42.55 ? ? ? ? ? . 121 GLN A C 1622 ATOM 1005 O O . GLN A 1622 121 . -44.112 13.877 -9.571 1.00 44.42 ? ? ? ? ? . 121 GLN A O 1622 ATOM 1006 C CB . GLN A 1622 121 . -45.852 11.145 -9.337 1.00 56.54 ? ? ? ? ? . 121 GLN A CB 1622 ATOM 1007 C CG . GLN A 1622 121 . -46.543 10.251 -10.340 1.00 72.29 ? ? ? ? ? . 121 GLN A CG 1622 ATOM 1008 C CD . GLN A 1622 121 . -47.950 9.860 -9.901 1.00 92.21 ? ? ? ? ? . 121 GLN A CD 1622 ATOM 1009 N NE2 . GLN A 1622 121 . -48.660 9.146 -10.776 1.00 91.52 ? ? ? ? ? . 121 GLN A NE2 1622 ATOM 1010 O OE1 . GLN A 1622 121 . -48.396 10.194 -8.786 1.00 95.09 ? ? ? ? ? . 121 GLN A OE1 1622 ATOM 1011 N N . LEU A 1622 122 . -43.610 12.614 -7.734 1.00 40.23 ? ? ? ? ? . 122 LEU A N 1622 ATOM 1012 C CA . LEU A 1622 122 . -43.293 13.806 -6.976 1.00 38.49 ? ? ? ? ? . 122 LEU A CA 1622 ATOM 1013 C C . LEU A 1622 122 . -42.015 14.477 -7.466 1.00 36.89 ? ? ? ? ? . 122 LEU A C 1622 ATOM 1014 O O . LEU A 1622 122 . -41.921 15.686 -7.539 1.00 41.81 ? ? ? ? ? . 122 LEU A O 1622 ATOM 1015 C CB . LEU A 1622 122 . -43.217 13.496 -5.491 1.00 41.81 ? ? ? ? ? . 122 LEU A CB 1622 ATOM 1016 C CG . LEU A 1622 122 . -44.560 13.185 -4.762 1.00 45.40 ? ? ? ? ? . 122 LEU A CG 1622 ATOM 1017 C CD1 . LEU A 1622 122 . -44.257 12.580 -3.376 1.00 46.14 ? ? ? ? ? . 122 LEU A CD1 1622 ATOM 1018 C CD2 . LEU A 1622 122 . -45.422 14.450 -4.646 1.00 47.26 ? ? ? ? ? . 122 LEU A CD2 1622 ATOM 1019 N N . LEU A 1622 123 . -41.008 13.681 -7.739 1.00 38.66 ? ? ? ? ? . 123 LEU A N 1622 ATOM 1020 C CA . LEU A 1622 123 . -39.730 14.272 -8.193 1.00 38.72 ? ? ? ? ? . 123 LEU A CA 1622 ATOM 1021 C C . LEU A 1622 123 . -39.788 14.685 -9.667 1.00 38.55 ? ? ? ? ? . 123 LEU A C 1622 ATOM 1022 O O . LEU A 1622 123 . -39.185 15.707 -10.040 1.00 35.59 ? ? ? ? ? . 123 LEU A O 1622 ATOM 1023 C CB . LEU A 1622 123 . -38.583 13.273 -7.937 1.00 38.21 ? ? ? ? ? . 123 LEU A CB 1622 ATOM 1024 C CG . LEU A 1622 123 . -38.343 13.010 -6.428 1.00 40.16 ? ? ? ? ? . 123 LEU A CG 1622 ATOM 1025 C CD1 . LEU A 1622 123 . -37.079 12.223 -6.285 1.00 39.38 ? ? ? ? ? . 123 LEU A CD1 1622 ATOM 1026 C CD2 . LEU A 1622 123 . -38.256 14.289 -5.574 1.00 43.18 ? ? ? ? ? . 123 LEU A CD2 1622 ATOM 1027 N N . ALA A 1622 124 . -40.548 13.951 -10.491 1.00 37.27 ? ? ? ? ? . 124 ALA A N 1622 ATOM 1028 C CA . ALA A 1622 124 . -40.744 14.341 -11.897 1.00 41.95 ? ? ? ? ? . 124 ALA A CA 1622 ATOM 1029 C C . ALA A 1622 124 . -41.245 15.757 -12.056 1.00 43.78 ? ? ? ? ? . 124 ALA A C 1622 ATOM 1030 O O . ALA A 1622 124 . -40.830 16.480 -13.002 1.00 41.65 ? ? ? ? ? . 124 ALA A O 1622 ATOM 1031 C CB . ALA A 1622 124 . -41.682 13.373 -12.615 1.00 47.96 ? ? ? ? ? . 124 ALA A CB 1622 ATOM 1032 N N . ALA A 1622 125 . -42.124 16.175 -11.146 1.00 41.49 ? ? ? ? ? . 125 ALA A N 1622 ATOM 1033 C CA . ALA A 1622 125 . -42.672 17.518 -11.205 1.00 43.17 ? ? ? ? ? . 125 ALA A CA 1622 ATOM 1034 C C . ALA A 1622 125 . -41.589 18.577 -11.109 1.00 43.78 ? ? ? ? ? . 125 ALA A C 1622 ATOM 1035 O O . ALA A 1622 125 . -41.666 19.629 -11.764 1.00 42.07 ? ? ? ? ? . 125 ALA A O 1622 ATOM 1036 C CB . ALA A 1622 125 . -43.736 17.735 -10.128 1.00 45.00 ? ? ? ? ? . 125 ALA A CB 1622 ATOM 1037 N N . PHE A 1622 126 . -40.572 18.334 -10.284 1.00 40.20 ? ? ? ? ? . 126 PHE A N 1622 ATOM 1038 C CA . PHE A 1622 126 . -39.451 19.316 -10.216 1.00 36.32 ? ? ? ? ? . 126 PHE A CA 1622 ATOM 1039 C C . PHE A 1622 126 . -38.696 19.339 -11.544 1.00 35.06 ? ? ? ? ? . 126 PHE A C 1622 ATOM 1040 O O . PHE A 1622 126 . -38.276 20.397 -12.064 1.00 35.33 ? ? ? ? ? . 126 PHE A O 1622 ATOM 1041 C CB . PHE A 1622 126 . -38.467 18.997 -9.070 1.00 37.37 ? ? ? ? ? . 126 PHE A CB 1622 ATOM 1042 C CG . PHE A 1622 126 . -38.988 19.269 -7.697 1.00 38.43 ? ? ? ? ? . 126 PHE A CG 1622 ATOM 1043 C CD1 . PHE A 1622 126 . -39.807 18.362 -7.066 1.00 42.10 ? ? ? ? ? . 126 PHE A CD1 1622 ATOM 1044 C CD2 . PHE A 1622 126 . -38.678 20.451 -7.018 1.00 36.06 ? ? ? ? ? . 126 PHE A CD2 1622 ATOM 1045 C CE1 . PHE A 1622 126 . -40.302 18.613 -5.804 1.00 41.16 ? ? ? ? ? . 126 PHE A CE1 1622 ATOM 1046 C CE2 . PHE A 1622 126 . -39.185 20.692 -5.766 1.00 36.71 ? ? ? ? ? . 126 PHE A CE2 1622 ATOM 1047 C CZ . PHE A 1622 126 . -39.986 19.777 -5.166 1.00 38.24 ? ? ? ? ? . 126 PHE A CZ 1622 ATOM 1048 N N . ILE A 1622 127 . -38.425 18.145 -12.042 1.00 34.85 ? ? ? ? ? . 127 ILE A N 1622 ATOM 1049 C CA . ILE A 1622 127 . -37.657 17.974 -13.265 1.00 37.35 ? ? ? ? ? . 127 ILE A CA 1622 ATOM 1050 C C . ILE A 1622 127 . -38.392 18.673 -14.408 1.00 39.94 ? ? ? ? ? . 127 ILE A C 1622 ATOM 1051 O O . ILE A 1622 127 . -37.806 19.394 -15.139 1.00 34.90 ? ? ? ? ? . 127 ILE A O 1622 ATOM 1052 C CB . ILE A 1622 127 . -37.365 16.487 -13.566 1.00 35.39 ? ? ? ? ? . 127 ILE A CB 1622 ATOM 1053 C CG1 . ILE A 1622 127 . -36.449 15.885 -12.500 1.00 36.66 ? ? ? ? ? . 127 ILE A CG1 1622 ATOM 1054 C CG2 . ILE A 1622 127 . -36.839 16.313 -14.988 1.00 36.13 ? ? ? ? ? . 127 ILE A CG2 1622 ATOM 1055 C CD1 . ILE A 1622 127 . -35.132 16.625 -12.223 1.00 37.65 ? ? ? ? ? . 127 ILE A CD1 1622 ATOM 1056 N N . LEU A 1622 128 . -39.712 18.504 -14.499 1.00 38.38 ? ? ? ? ? . 128 LEU A N 1622 ATOM 1057 C CA . LEU A 1622 128 . -40.429 19.129 -15.574 1.00 37.95 ? ? ? ? ? . 128 LEU A CA 1622 ATOM 1058 C C . LEU A 1622 128 . -40.396 20.638 -15.520 1.00 40.66 ? ? ? ? ? . 128 LEU A C 1622 ATOM 1059 O O . LEU A 1622 128 . -40.335 21.266 -16.567 1.00 41.20 ? ? ? ? ? . 128 LEU A O 1622 ATOM 1060 C CB . LEU A 1622 128 . -41.930 18.668 -15.547 1.00 44.11 ? ? ? ? ? . 128 LEU A CB 1622 ATOM 1061 C CG . LEU A 1622 128 . -42.136 17.225 -15.968 1.00 47.14 ? ? ? ? ? . 128 LEU A CG 1622 ATOM 1062 C CD1 . LEU A 1622 128 . -43.529 16.714 -15.567 1.00 55.01 ? ? ? ? ? . 128 LEU A CD1 1622 ATOM 1063 C CD2 . LEU A 1622 128 . -41.935 17.046 -17.465 1.00 50.22 ? ? ? ? ? . 128 LEU A CD2 1622 ATOM 1064 N N . LYS A 1622 129 . -40.369 21.220 -14.320 1.00 37.13 ? ? ? ? ? . 129 LYS A N 1622 ATOM 1065 C CA . LYS A 1622 129 . -40.261 22.682 -14.148 1.00 37.99 ? ? ? ? ? . 129 LYS A CA 1622 ATOM 1066 C C . LYS A 1622 129 . -38.892 23.131 -14.570 1.00 38.01 ? ? ? ? ? . 129 LYS A C 1622 ATOM 1067 O O . LYS A 1622 129 . -38.749 24.164 -15.169 1.00 39.69 ? ? ? ? ? . 129 LYS A O 1622 ATOM 1068 C CB . LYS A 1622 129 . -40.500 23.147 -12.695 1.00 42.80 ? ? ? ? ? . 129 LYS A CB 1622 ATOM 1069 C CG . LYS A 1622 129 . -41.928 22.983 -12.192 1.00 44.85 ? ? ? ? ? . 129 LYS A CG 1622 ATOM 1070 C CD . LYS A 1622 129 . -42.918 23.887 -12.859 1.00 45.74 ? ? ? ? ? . 129 LYS A CD 1622 ATOM 1071 C CE . LYS A 1622 129 . -44.247 23.724 -12.140 1.00 53.89 ? ? ? ? ? . 129 LYS A CE 1622 ATOM 1072 N NZ . LYS A 1622 129 . -45.096 24.874 -12.504 1.00 59.73 ? ? ? ? ? 1+ 129 LYS A NZ 1622 ATOM 1073 N N . ILE A 1622 130 . -37.875 22.356 -14.255 1.00 34.32 ? ? ? ? ? . 130 ILE A N 1622 ATOM 1074 C CA . ILE A 1622 130 . -36.516 22.748 -14.699 1.00 34.11 ? ? ? ? ? . 130 ILE A CA 1622 ATOM 1075 C C . ILE A 1622 130 . -36.420 22.695 -16.231 1.00 32.66 ? ? ? ? ? . 130 ILE A C 1622 ATOM 1076 O O . ILE A 1622 130 . -35.846 23.616 -16.855 1.00 35.32 ? ? ? ? ? . 130 ILE A O 1622 ATOM 1077 C CB . ILE A 1622 130 . -35.447 21.866 -14.067 1.00 31.70 ? ? ? ? ? . 130 ILE A CB 1622 ATOM 1078 C CG1 . ILE A 1622 130 . -35.393 22.131 -12.555 1.00 33.78 ? ? ? ? ? . 130 ILE A CG1 1622 ATOM 1079 C CG2 . ILE A 1622 130 . -34.068 22.217 -14.635 1.00 34.44 ? ? ? ? ? . 130 ILE A CG2 1622 ATOM 1080 C CD1 . ILE A 1622 130 . -34.559 21.129 -11.799 1.00 34.47 ? ? ? ? ? . 130 ILE A CD1 1622 ATOM 1081 N N . SER A 1622 131 . -36.983 21.648 -16.834 1.00 33.12 ? ? ? ? ? . 131 SER A N 1622 ATOM 1082 C CA . SER A 1622 131 . -36.922 21.469 -18.288 1.00 38.08 ? ? ? ? ? . 131 SER A CA 1622 ATOM 1083 C C . SER A 1622 131 . -37.352 22.695 -19.106 1.00 43.15 ? ? ? ? ? . 131 SER A C 1622 ATOM 1084 O O . SER A 1622 131 . -36.756 22.956 -20.143 1.00 38.65 ? ? ? ? ? . 131 SER A O 1622 ATOM 1085 C CB . SER A 1622 131 . -37.817 20.316 -18.716 1.00 44.75 ? ? ? ? ? . 131 SER A CB 1622 ATOM 1086 O OG . SER A 1622 131 . -37.148 19.112 -18.376 1.00 48.50 ? ? ? ? ? . 131 SER A OG 1622 ATOM 1087 N N . VAL A 1622 132 . -38.347 23.433 -18.589 1.00 40.57 ? ? ? ? ? . 132 VAL A N 1622 ATOM 1088 C CA . VAL A 1622 132 . -38.937 24.591 -19.273 1.00 46.33 ? ? ? ? ? . 132 VAL A CA 1622 ATOM 1089 C C . VAL A 1622 132 . -38.644 25.915 -18.605 1.00 45.04 ? ? ? ? ? . 132 VAL A C 1622 ATOM 1090 O O . VAL A 1622 132 . -39.190 26.943 -19.026 1.00 44.63 ? ? ? ? ? . 132 VAL A O 1622 ATOM 1091 C CB . VAL A 1622 132 . -40.477 24.404 -19.462 1.00 47.61 ? ? ? ? ? . 132 VAL A CB 1622 ATOM 1092 C CG1 . VAL A 1622 132 . -40.780 23.148 -20.284 1.00 53.69 ? ? ? ? ? . 132 VAL A CG1 1622 ATOM 1093 C CG2 . VAL A 1622 132 . -41.210 24.271 -18.169 1.00 47.26 ? ? ? ? ? . 132 VAL A CG2 1622 ATOM 1094 N N . CYS A 1622 133 . -37.705 25.948 -17.631 1.00 41.41 ? ? ? ? ? . 133 CYS A N 1622 ATOM 1095 C CA . CYS A 1622 133 . -37.511 27.199 -16.844 1.00 38.86 ? ? ? ? ? . 133 CYS A CA 1622 ATOM 1096 C C . CYS A 1622 133 . -36.867 28.266 -17.649 1.00 37.45 ? ? ? ? ? . 133 CYS A C 1622 ATOM 1097 O O . CYS A 1622 133 . -36.907 29.410 -17.251 1.00 39.74 ? ? ? ? ? . 133 CYS A O 1622 ATOM 1098 C CB . CYS A 1622 133 . -36.713 26.971 -15.550 1.00 37.85 ? ? ? ? ? . 133 CYS A CB 1622 ATOM 1099 S SG . CYS A 1622 133 . -34.952 26.573 -15.774 1.00 39.94 ? ? ? ? ? . 133 CYS A SG 1622 ATOM 1100 N N . ASP A 1622 134 . -36.254 27.928 -18.804 1.00 37.92 ? ? ? ? ? . 134 ASP A N 1622 ATOM 1101 C CA . ASP A 1622 134 . -35.639 28.976 -19.593 1.00 38.81 ? ? ? ? ? . 134 ASP A CA 1622 ATOM 1102 C C . ASP A 1622 134 . -36.682 30.113 -19.987 1.00 41.50 ? ? ? ? ? . 134 ASP A C 1622 ATOM 1103 O O . ASP A 1622 134 . -36.270 31.286 -20.140 1.00 45.02 ? ? ? ? ? . 134 ASP A O 1622 ATOM 1104 C CB . ASP A 1622 134 . -35.029 28.404 -20.857 1.00 36.91 ? ? ? ? ? . 134 ASP A CB 1622 ATOM 1105 C CG . ASP A 1622 134 . -33.676 27.681 -20.589 1.00 40.99 ? ? ? ? ? . 134 ASP A CG 1622 ATOM 1106 O OD1 . ASP A 1622 134 . -33.059 27.883 -19.507 1.00 38.85 ? ? ? ? ? . 134 ASP A OD1 1622 ATOM 1107 O OD2 . ASP A 1622 134 . -33.242 27.012 -21.536 1.00 39.81 ? ? ? ? ? 1- 134 ASP A OD2 1622 ATOM 1108 N N . ALA A 1622 135 . -37.959 29.755 -20.065 1.00 46.31 ? ? ? ? ? . 135 ALA A N 1622 ATOM 1109 C CA . ALA A 1622 135 . -39.047 30.717 -20.375 1.00 48.48 ? ? ? ? ? . 135 ALA A CA 1622 ATOM 1110 C C . ALA A 1622 135 . -39.072 31.881 -19.405 1.00 55.15 ? ? ? ? ? . 135 ALA A C 1622 ATOM 1111 O O . ALA A 1622 135 . -39.160 33.022 -19.848 1.00 51.31 ? ? ? ? ? . 135 ALA A O 1622 ATOM 1112 C CB . ALA A 1622 135 . -40.387 30.037 -20.388 1.00 51.97 ? ? ? ? ? . 135 ALA A CB 1622 ATOM 1113 N N . VAL A 1622 136 . -38.856 31.598 -18.108 1.00 50.57 ? ? ? ? ? . 136 VAL A N 1622 ATOM 1114 C CA . VAL A 1622 136 . -39.075 32.600 -17.028 1.00 46.36 ? ? ? ? ? . 136 VAL A CA 1622 ATOM 1115 C C . VAL A 1622 136 . -37.846 33.277 -16.546 1.00 46.12 ? ? ? ? ? . 136 VAL A C 1622 ATOM 1116 O O . VAL A 1622 136 . -37.908 34.182 -15.704 1.00 51.68 ? ? ? ? ? . 136 VAL A O 1622 ATOM 1117 C CB . VAL A 1622 136 . -39.870 31.946 -15.854 1.00 49.24 ? ? ? ? ? . 136 VAL A CB 1622 ATOM 1118 C CG1 . VAL A 1622 136 . -41.122 31.277 -16.395 1.00 51.65 ? ? ? ? ? . 136 VAL A CG1 1622 ATOM 1119 C CG2 . VAL A 1622 136 . -39.070 30.893 -15.099 1.00 49.20 ? ? ? ? ? . 136 VAL A CG2 1622 ATOM 1120 N N . LEU A 1622 137 . -36.675 32.791 -16.968 1.00 45.44 ? ? ? ? ? . 137 LEU A N 1622 ATOM 1121 C CA . LEU A 1622 137 . -35.441 33.412 -16.556 1.00 42.00 ? ? ? ? ? . 137 LEU A CA 1622 ATOM 1122 C C . LEU A 1622 137 . -34.926 34.388 -17.614 1.00 43.33 ? ? ? ? ? . 137 LEU A C 1622 ATOM 1123 O O . LEU A 1622 137 . -35.230 34.234 -18.803 1.00 47.95 ? ? ? ? ? . 137 LEU A O 1622 ATOM 1124 C CB . LEU A 1622 137 . -34.363 32.313 -16.294 1.00 39.87 ? ? ? ? ? . 137 LEU A CB 1622 ATOM 1125 C CG . LEU A 1622 137 . -34.896 31.277 -15.271 1.00 40.98 ? ? ? ? ? . 137 LEU A CG 1622 ATOM 1126 C CD1 . LEU A 1622 137 . -33.956 30.098 -15.171 1.00 42.48 ? ? ? ? ? . 137 LEU A CD1 1622 ATOM 1127 C CD2 . LEU A 1622 137 . -35.139 31.890 -13.886 1.00 43.76 ? ? ? ? ? . 137 LEU A CD2 1622 ATOM 1128 N N . ASP A 1622 138 . -34.108 35.347 -17.160 1.00 50.52 ? ? ? ? ? . 138 ASP A N 1622 ATOM 1129 C CA . ASP A 1622 138 . -33.299 36.219 -18.051 1.00 61.10 ? ? ? ? ? . 138 ASP A CA 1622 ATOM 1130 C C . ASP A 1622 138 . -32.325 35.351 -18.832 1.00 63.92 ? ? ? ? ? . 138 ASP A C 1622 ATOM 1131 O O . ASP A 1622 138 . -32.076 34.211 -18.490 1.00 52.44 ? ? ? ? ? . 138 ASP A O 1622 ATOM 1132 C CB . ASP A 1622 138 . -32.486 37.296 -17.267 1.00 70.44 ? ? ? ? ? . 138 ASP A CB 1622 ATOM 1133 C CG . ASP A 1622 138 . -33.352 38.129 -16.270 1.00 81.23 ? ? ? ? ? . 138 ASP A CG 1622 ATOM 1134 O OD1 . ASP A 1622 138 . -34.520 38.476 -16.594 1.00 79.70 ? ? ? ? ? . 138 ASP A OD1 1622 ATOM 1135 O OD2 . ASP A 1622 138 . -32.854 38.413 -15.147 1.00 85.28 ? ? ? ? ? 1- 138 ASP A OD2 1622 ATOM 1136 N N . HIS A 1622 139 . -31.805 35.901 -19.907 1.00 67.35 ? ? ? ? ? . 139 HIS A N 1622 ATOM 1137 C CA . HIS A 1622 139 . -30.709 35.308 -20.627 1.00 69.67 ? ? ? ? ? . 139 HIS A CA 1622 ATOM 1138 C C . HIS A 1622 139 . -29.457 35.578 -19.779 1.00 55.15 ? ? ? ? ? . 139 HIS A C 1622 ATOM 1139 O O . HIS A 1622 139 . -29.210 36.702 -19.386 1.00 59.15 ? ? ? ? ? . 139 HIS A O 1622 ATOM 1140 C CB . HIS A 1622 139 . -30.621 35.985 -21.988 1.00 80.46 ? ? ? ? ? . 139 HIS A CB 1622 ATOM 1141 C CG . HIS A 1622 139 . -29.761 35.266 -22.969 1.00 95.07 ? ? ? ? ? . 139 HIS A CG 1622 ATOM 1142 C CD2 . HIS A 1622 139 . -29.906 34.056 -23.557 1.00 97.53 ? ? ? ? ? . 139 HIS A CD2 1622 ATOM 1143 N ND1 . HIS A 1622 139 . -28.587 35.802 -23.461 1.00 98.14 ? ? ? ? ? . 139 HIS A ND1 1622 ATOM 1144 C CE1 . HIS A 1622 139 . -28.044 34.945 -24.308 1.00 110.24 ? ? ? ? ? . 139 HIS A CE1 1622 ATOM 1145 N NE2 . HIS A 1622 139 . -28.821 33.877 -24.381 1.00 105.89 ? ? ? ? ? . 139 HIS A NE2 1622 ATOM 1146 N N . ASN A 1622 140 . -28.718 34.543 -19.424 1.00 52.96 ? ? ? ? ? . 140 ASN A N 1622 ATOM 1147 C CA . ASN A 1622 140 . -27.415 34.701 -18.773 1.00 49.75 ? ? ? ? ? . 140 ASN A CA 1622 ATOM 1148 C C . ASN A 1622 140 . -26.401 35.292 -19.757 1.00 51.21 ? ? ? ? ? . 140 ASN A C 1622 ATOM 1149 O O . ASN A 1622 140 . -26.470 35.049 -20.963 1.00 49.84 ? ? ? ? ? . 140 ASN A O 1622 ATOM 1150 C CB . ASN A 1622 140 . -26.851 33.362 -18.244 1.00 51.68 ? ? ? ? ? . 140 ASN A CB 1622 ATOM 1151 C CG . ASN A 1622 140 . -27.612 32.815 -17.044 1.00 50.10 ? ? ? ? ? . 140 ASN A CG 1622 ATOM 1152 N ND2 . ASN A 1622 140 . -27.548 31.481 -16.823 1.00 46.59 ? ? ? ? ? . 140 ASN A ND2 1622 ATOM 1153 O OD1 . ASN A 1622 140 . -28.215 33.569 -16.304 1.00 50.46 ? ? ? ? ? . 140 ASN A OD1 1622 ATOM 1154 N N . PRO A 1622 141 . -25.414 36.027 -19.230 1.00 52.37 ? ? ? ? ? . 141 PRO A N 1622 ATOM 1155 C CA . PRO A 1622 141 . -24.386 36.515 -20.128 1.00 56.43 ? ? ? ? ? . 141 PRO A CA 1622 ATOM 1156 C C . PRO A 1622 141 . -23.534 35.324 -20.605 1.00 54.50 ? ? ? ? ? . 141 PRO A C 1622 ATOM 1157 O O . PRO A 1622 141 . -23.650 34.257 -20.058 1.00 47.67 ? ? ? ? ? . 141 PRO A O 1622 ATOM 1158 C CB . PRO A 1622 141 . -23.621 37.529 -19.260 1.00 54.07 ? ? ? ? ? . 141 PRO A CB 1622 ATOM 1159 C CG . PRO A 1622 141 . -23.782 37.028 -17.891 1.00 57.39 ? ? ? ? ? . 141 PRO A CG 1622 ATOM 1160 C CD . PRO A 1622 141 . -25.198 36.495 -17.852 1.00 54.33 ? ? ? ? ? . 141 PRO A CD 1622 ATOM 1161 N N . PRO A 1622 142 . -22.761 35.485 -21.669 1.00 57.34 ? ? ? ? ? . 142 PRO A N 1622 ATOM 1162 C CA . PRO A 1622 142 . -21.970 34.348 -22.157 1.00 58.03 ? ? ? ? ? . 142 PRO A CA 1622 ATOM 1163 C C . PRO A 1622 142 . -20.839 33.985 -21.190 1.00 49.18 ? ? ? ? ? . 142 PRO A C 1622 ATOM 1164 O O . PRO A 1622 142 . -20.348 34.835 -20.457 1.00 53.81 ? ? ? ? ? . 142 PRO A O 1622 ATOM 1165 C CB . PRO A 1622 142 . -21.395 34.859 -23.500 1.00 65.13 ? ? ? ? ? . 142 PRO A CB 1622 ATOM 1166 C CG . PRO A 1622 142 . -21.351 36.347 -23.346 1.00 68.25 ? ? ? ? ? . 142 PRO A CG 1622 ATOM 1167 C CD . PRO A 1622 142 . -22.513 36.724 -22.440 1.00 64.04 ? ? ? ? ? . 142 PRO A CD 1622 ATOM 1168 N N . GLY A 1622 143 . -20.427 32.726 -21.241 1.00 45.20 ? ? ? ? ? . 143 GLY A N 1622 ATOM 1169 C CA . GLY A 1622 143 . -19.241 32.225 -20.546 1.00 45.14 ? ? ? ? ? . 143 GLY A CA 1622 ATOM 1170 C C . GLY A 1622 143 . -19.478 31.962 -19.028 1.00 41.62 ? ? ? ? ? . 143 GLY A C 1622 ATOM 1171 O O . GLY A 1622 143 . -18.561 31.971 -18.224 1.00 43.63 ? ? ? ? ? . 143 GLY A O 1622 ATOM 1172 N N . CYS A 1622 144 . -20.718 31.747 -18.642 1.00 42.57 ? ? ? ? ? . 144 CYS A N 1622 ATOM 1173 C CA . CYS A 1622 144 . -21.016 31.389 -17.274 1.00 39.19 ? ? ? ? ? . 144 CYS A CA 1622 ATOM 1174 C C . CYS A 1622 144 . -20.395 30.021 -16.877 1.00 39.14 ? ? ? ? ? . 144 CYS A C 1622 ATOM 1175 O O . CYS A 1622 144 . -20.144 29.206 -17.710 1.00 37.72 ? ? ? ? ? . 144 CYS A O 1622 ATOM 1176 C CB . CYS A 1622 144 . -22.519 31.391 -17.053 1.00 38.71 ? ? ? ? ? . 144 CYS A CB 1622 ATOM 1177 S SG . CYS A 1622 144 . -23.159 33.121 -16.935 1.00 46.54 ? ? ? ? ? . 144 CYS A SG 1622 ATOM 1178 N N . THR A 1622 145 . -20.092 29.886 -15.584 1.00 38.76 ? ? ? ? ? . 145 THR A N 1622 ATOM 1179 C CA . THR A 1622 145 . -19.660 28.602 -14.950 1.00 39.26 ? ? ? ? ? . 145 THR A CA 1622 ATOM 1180 C C . THR A 1622 145 . -20.631 28.314 -13.817 1.00 34.87 ? ? ? ? ? . 145 THR A C 1622 ATOM 1181 O O . THR A 1622 145 . -21.531 29.130 -13.512 1.00 36.09 ? ? ? ? ? . 145 THR A O 1622 ATOM 1182 C CB . THR A 1622 145 . -18.289 28.681 -14.372 1.00 41.57 ? ? ? ? ? . 145 THR A CB 1622 ATOM 1183 C CG2 . THR A 1622 145 . -17.297 29.075 -15.474 1.00 44.59 ? ? ? ? ? . 145 THR A CG2 1622 ATOM 1184 O OG1 . THR A 1622 145 . -18.263 29.678 -13.327 1.00 40.98 ? ? ? ? ? . 145 THR A OG1 1622 ATOM 1185 N N . PHE A 1622 146 . -20.478 27.155 -13.204 1.00 34.16 ? ? ? ? ? . 146 PHE A N 1622 ATOM 1186 C CA . PHE A 1622 146 . -21.283 26.845 -12.009 1.00 34.90 ? ? ? ? ? . 146 PHE A CA 1622 ATOM 1187 C C . PHE A 1622 146 . -20.460 26.388 -10.848 1.00 31.21 ? ? ? ? ? . 146 PHE A C 1622 ATOM 1188 O O . PHE A 1622 146 . -19.295 25.933 -10.980 1.00 35.39 ? ? ? ? ? . 146 PHE A O 1622 ATOM 1189 C CB . PHE A 1622 146 . -22.371 25.786 -12.335 1.00 35.72 ? ? ? ? ? . 146 PHE A CB 1622 ATOM 1190 C CG . PHE A 1622 146 . -21.920 24.370 -12.197 1.00 33.30 ? ? ? ? ? . 146 PHE A CG 1622 ATOM 1191 C CD1 . PHE A 1622 146 . -21.154 23.780 -13.197 1.00 33.74 ? ? ? ? ? . 146 PHE A CD1 1622 ATOM 1192 C CD2 . PHE A 1622 146 . -22.361 23.572 -11.116 1.00 33.84 ? ? ? ? ? . 146 PHE A CD2 1622 ATOM 1193 C CE1 . PHE A 1622 146 . -20.761 22.471 -13.116 1.00 33.81 ? ? ? ? ? . 146 PHE A CE1 1622 ATOM 1194 C CE2 . PHE A 1622 146 . -21.939 22.235 -11.030 1.00 32.12 ? ? ? ? ? . 146 PHE A CE2 1622 ATOM 1195 C CZ . PHE A 1622 146 . -21.136 21.697 -12.029 1.00 34.49 ? ? ? ? ? . 146 PHE A CZ 1622 ATOM 1196 N N . THR A 1622 147 . -21.052 26.509 -9.677 1.00 31.71 ? ? ? ? ? . 147 THR A N 1622 ATOM 1197 C CA . THR A 1622 147 . -20.543 25.869 -8.488 1.00 33.54 ? ? ? ? ? . 147 THR A CA 1622 ATOM 1198 C C . THR A 1622 147 . -21.729 25.407 -7.656 1.00 32.67 ? ? ? ? ? . 147 THR A C 1622 ATOM 1199 O O . THR A 1622 147 . -22.870 25.677 -8.016 1.00 33.13 ? ? ? ? ? . 147 THR A O 1622 ATOM 1200 C CB . THR A 1622 147 . -19.596 26.809 -7.723 1.00 37.72 ? ? ? ? ? . 147 THR A CB 1622 ATOM 1201 C CG2 . THR A 1622 147 . -20.352 27.972 -7.256 1.00 34.54 ? ? ? ? ? . 147 THR A CG2 1622 ATOM 1202 O OG1 . THR A 1622 147 . -19.050 26.080 -6.635 1.00 42.36 ? ? ? ? ? . 147 THR A OG1 1622 ATOM 1203 N N . VAL A 1622 148 . -21.454 24.737 -6.542 1.00 31.05 ? ? ? ? ? . 148 VAL A N 1622 ATOM 1204 C CA . VAL A 1622 148 . -22.520 24.245 -5.663 1.00 32.55 ? ? ? ? ? . 148 VAL A CA 1622 ATOM 1205 C C . VAL A 1622 148 . -22.266 24.734 -4.310 1.00 32.66 ? ? ? ? ? . 148 VAL A C 1622 ATOM 1206 O O . VAL A 1622 148 . -21.150 24.592 -3.801 1.00 34.34 ? ? ? ? ? . 148 VAL A O 1622 ATOM 1207 C CB . VAL A 1622 148 . -22.516 22.694 -5.654 1.00 31.38 ? ? ? ? ? . 148 VAL A CB 1622 ATOM 1208 C CG1 . VAL A 1622 148 . -23.560 22.142 -4.656 1.00 34.57 ? ? ? ? ? . 148 VAL A CG1 1622 ATOM 1209 C CG2 . VAL A 1622 148 . -22.748 22.222 -7.085 1.00 35.17 ? ? ? ? ? . 148 VAL A CG2 1622 ATOM 1210 N N . LEU A 1622 149 . -23.247 25.381 -3.714 1.00 32.29 ? ? ? ? ? . 149 LEU A N 1622 ATOM 1211 C CA . LEU A 1622 149 . -23.151 25.821 -2.317 1.00 32.67 ? ? ? ? ? . 149 LEU A CA 1622 ATOM 1212 C C . LEU A 1622 149 . -24.075 24.998 -1.447 1.00 35.44 ? ? ? ? ? . 149 LEU A C 1622 ATOM 1213 O O . LEU A 1622 149 . -25.222 24.768 -1.826 1.00 35.72 ? ? ? ? ? . 149 LEU A O 1622 ATOM 1214 C CB . LEU A 1622 149 . -23.478 27.319 -2.190 1.00 35.89 ? ? ? ? ? . 149 LEU A CB 1622 ATOM 1215 C CG . LEU A 1622 149 . -22.238 28.259 -2.294 1.00 38.53 ? ? ? ? ? . 149 LEU A CG 1622 ATOM 1216 C CD1 . LEU A 1622 149 . -21.618 28.212 -3.672 1.00 40.06 ? ? ? ? ? . 149 LEU A CD1 1622 ATOM 1217 C CD2 . LEU A 1622 149 . -22.784 29.654 -2.077 1.00 43.86 ? ? ? ? ? . 149 LEU A CD2 1622 ATOM 1218 N N . VAL A 1622 150 . -23.566 24.547 -0.294 1.00 32.08 ? ? ? ? ? . 150 VAL A N 1622 ATOM 1219 C CA . VAL A 1622 150 . -24.326 23.817 0.679 1.00 32.42 ? ? ? ? ? . 150 VAL A CA 1622 ATOM 1220 C C . VAL A 1622 150 . -24.511 24.691 1.903 1.00 34.62 ? ? ? ? ? . 150 VAL A C 1622 ATOM 1221 O O . VAL A 1622 150 . -23.535 25.035 2.530 1.00 32.21 ? ? ? ? ? . 150 VAL A O 1622 ATOM 1222 C CB . VAL A 1622 150 . -23.728 22.436 1.040 1.00 33.54 ? ? ? ? ? . 150 VAL A CB 1622 ATOM 1223 C CG1 . VAL A 1622 150 . -24.663 21.731 2.004 1.00 33.23 ? ? ? ? ? . 150 VAL A CG1 1622 ATOM 1224 C CG2 . VAL A 1622 150 . -23.588 21.582 -0.235 1.00 39.23 ? ? ? ? ? . 150 VAL A CG2 1622 ATOM 1225 N N . HIS A 1622 151 . -25.766 25.087 2.183 1.00 30.68 ? ? ? ? ? . 151 HIS A N 1622 ATOM 1226 C CA . HIS A 1622 151 . -26.087 25.789 3.390 1.00 33.50 ? ? ? ? ? . 151 HIS A CA 1622 ATOM 1227 C C . HIS A 1622 151 . -26.401 24.779 4.443 1.00 33.35 ? ? ? ? ? . 151 HIS A C 1622 ATOM 1228 O O . HIS A 1622 151 . -27.403 24.030 4.312 1.00 33.40 ? ? ? ? ? . 151 HIS A O 1622 ATOM 1229 C CB . HIS A 1622 151 . -27.282 26.686 3.197 1.00 33.47 ? ? ? ? ? . 151 HIS A CB 1622 ATOM 1230 C CG . HIS A 1622 151 . -27.063 27.796 2.249 1.00 33.96 ? ? ? ? ? . 151 HIS A CG 1622 ATOM 1231 C CD2 . HIS A 1622 151 . -26.739 27.822 0.927 1.00 36.33 ? ? ? ? ? . 151 HIS A CD2 1622 ATOM 1232 N ND1 . HIS A 1622 151 . -27.189 29.110 2.647 1.00 37.13 ? ? ? ? ? . 151 HIS A ND1 1622 ATOM 1233 C CE1 . HIS A 1622 151 . -26.967 29.906 1.602 1.00 39.32 ? ? ? ? ? . 151 HIS A CE1 1622 ATOM 1234 N NE2 . HIS A 1622 151 . -26.644 29.159 0.564 1.00 39.02 ? ? ? ? ? . 151 HIS A NE2 1622 ATOM 1235 N N . THR A 1622 152 . -25.559 24.716 5.467 1.00 31.71 ? ? ? ? ? . 152 THR A N 1622 ATOM 1236 C CA . THR A 1622 152 . -25.689 23.677 6.532 1.00 32.82 ? ? ? ? ? . 152 THR A CA 1622 ATOM 1237 C C . THR A 1622 152 . -26.546 24.153 7.665 1.00 33.95 ? ? ? ? ? . 152 THR A C 1622 ATOM 1238 O O . THR A 1622 152 . -26.992 25.289 7.683 1.00 37.38 ? ? ? ? ? . 152 THR A O 1622 ATOM 1239 C CB . THR A 1622 152 . -24.350 23.197 7.087 1.00 34.39 ? ? ? ? ? . 152 THR A CB 1622 ATOM 1240 C CG2 . THR A 1622 152 . -23.396 22.886 5.950 1.00 37.85 ? ? ? ? ? . 152 THR A CG2 1622 ATOM 1241 O OG1 . THR A 1622 152 . -23.836 24.211 7.981 1.00 35.31 ? ? ? ? ? . 152 THR A OG1 1622 ATOM 1242 N N . ARG A 1622 153 . -26.829 23.257 8.603 1.00 33.24 ? ? ? ? ? . 153 ARG A N 1622 ATOM 1243 C CA . ARG A 1622 153 . -27.502 23.609 9.857 1.00 34.02 ? ? ? ? ? . 153 ARG A CA 1622 ATOM 1244 C C . ARG A 1622 153 . -26.584 23.939 10.977 1.00 39.30 ? ? ? ? ? . 153 ARG A C 1622 ATOM 1245 O O . ARG A 1622 153 . -27.036 24.155 12.133 1.00 36.24 ? ? ? ? ? . 153 ARG A O 1622 ATOM 1246 C CB . ARG A 1622 153 . -28.504 22.480 10.287 1.00 34.50 ? ? ? ? ? . 153 ARG A CB 1622 ATOM 1247 C CG . ARG A 1622 153 . -29.682 22.355 9.337 1.00 37.14 ? ? ? ? ? . 153 ARG A CG 1622 ATOM 1248 C CD . ARG A 1622 153 . -30.718 21.288 9.788 1.00 36.08 ? ? ? ? ? . 153 ARG A CD 1622 ATOM 1249 N NE . ARG A 1622 153 . -31.222 21.607 11.104 1.00 35.66 ? ? ? ? ? . 153 ARG A NE 1622 ATOM 1250 C CZ . ARG A 1622 153 . -30.917 20.977 12.241 1.00 35.85 ? ? ? ? ? . 153 ARG A CZ 1622 ATOM 1251 N NH1 . ARG A 1622 153 . -30.162 19.859 12.313 1.00 37.76 ? ? ? ? ? 1+ 153 ARG A NH1 1622 ATOM 1252 N NH2 . ARG A 1622 153 . -31.371 21.492 13.358 1.00 35.69 ? ? ? ? ? . 153 ARG A NH2 1622 ATOM 1253 N N . GLU A 1622 154 . -25.280 23.977 10.690 1.00 36.52 ? ? ? ? ? . 154 GLU A N 1622 ATOM 1254 C CA . GLU A 1622 154 . -24.295 24.168 11.708 1.00 38.30 ? ? ? ? ? . 154 GLU A CA 1622 ATOM 1255 C C . GLU A 1622 154 . -24.083 25.547 11.983 1.00 42.22 ? ? ? ? ? . 154 GLU A C 1622 ATOM 1256 O O . GLU A 1622 154 . -24.031 26.346 11.081 1.00 38.60 ? ? ? ? ? . 154 GLU A O 1622 ATOM 1257 C CB . GLU A 1622 154 . -22.976 23.441 11.396 1.00 43.04 ? ? ? ? ? . 154 GLU A CB 1622 ATOM 1258 C CG . GLU A 1622 154 . -23.051 22.116 12.126 1.00 54.24 ? ? ? ? ? . 154 GLU A CG 1622 ATOM 1259 C CD . GLU A 1622 154 . -22.007 21.128 11.779 1.00 63.59 ? ? ? ? ? . 154 GLU A CD 1622 ATOM 1260 O OE1 . GLU A 1622 154 . -20.872 21.562 11.499 1.00 66.61 ? ? ? ? ? . 154 GLU A OE1 1622 ATOM 1261 O OE2 . GLU A 1622 154 . -22.334 19.913 11.852 1.00 71.27 ? ? ? ? ? 1- 154 GLU A OE2 1622 ATOM 1262 N N . ALA A 1622 155 . -23.962 25.873 13.268 1.00 48.20 ? ? ? ? ? . 155 ALA A N 1622 ATOM 1263 C CA . ALA A 1622 155 . -23.753 27.284 13.625 1.00 50.47 ? ? ? ? ? . 155 ALA A CA 1622 ATOM 1264 C C . ALA A 1622 155 . -22.317 27.600 13.380 1.00 47.06 ? ? ? ? ? . 155 ALA A C 1622 ATOM 1265 O O . ALA A 1622 155 . -21.397 26.821 13.674 1.00 50.81 ? ? ? ? ? . 155 ALA A O 1622 ATOM 1266 C CB . ALA A 1622 155 . -24.136 27.534 15.089 1.00 57.75 ? ? ? ? ? . 155 ALA A CB 1622 ATOM 1267 N N . ALA A 1622 156 . -22.078 28.759 12.846 1.00 49.42 ? ? ? ? ? . 156 ALA A N 1622 ATOM 1268 C CA . ALA A 1622 156 . -20.721 29.208 12.633 1.00 54.68 ? ? ? ? ? . 156 ALA A CA 1622 ATOM 1269 C C . ALA A 1622 156 . -20.081 29.563 13.997 1.00 63.08 ? ? ? ? ? . 156 ALA A C 1622 ATOM 1270 O O . ALA A 1622 156 . -20.776 30.107 14.838 1.00 60.23 ? ? ? ? ? . 156 ALA A O 1622 ATOM 1271 C CB . ALA A 1622 156 . -20.752 30.438 11.729 1.00 58.83 ? ? ? ? ? . 156 ALA A CB 1622 ATOM 1272 N N . THR A 1622 157 . -18.822 29.164 14.215 1.00 63.71 ? ? ? ? ? . 157 THR A N 1622 ATOM 1273 C CA . THR A 1622 157 . -18.028 29.492 15.419 1.00 74.61 ? ? ? ? ? . 157 THR A CA 1622 ATOM 1274 C C . THR A 1622 157 . -16.976 30.556 15.048 1.00 82.56 ? ? ? ? ? . 157 THR A C 1622 ATOM 1275 O O . THR A 1622 157 . -16.351 30.445 13.983 1.00 69.36 ? ? ? ? ? . 157 THR A O 1622 ATOM 1276 C CB . THR A 1622 157 . -17.251 28.266 15.981 1.00 73.26 ? ? ? ? ? . 157 THR A CB 1622 ATOM 1277 C CG2 . THR A 1622 157 . -18.032 26.997 15.880 1.00 69.81 ? ? ? ? ? . 157 THR A CG2 1622 ATOM 1278 O OG1 . THR A 1622 157 . -16.016 28.096 15.271 1.00 76.33 ? ? ? ? ? . 157 THR A OG1 1622 ATOM 1279 N N . ARG A 1622 158 . -16.764 31.537 15.941 1.00 90.12 ? ? ? ? ? . 158 ARG A N 1622 ATOM 1280 C CA . ARG A 1622 158 . -15.800 32.666 15.757 1.00 95.31 ? ? ? ? ? . 158 ARG A CA 1622 ATOM 1281 C C . ARG A 1622 158 . -14.487 32.279 15.114 1.00 85.87 ? ? ? ? ? . 158 ARG A C 1622 ATOM 1282 O O . ARG A 1622 158 . -13.982 32.951 14.211 1.00 86.80 ? ? ? ? ? . 158 ARG A O 1622 ATOM 1283 C CB . ARG A 1622 158 . -15.441 33.302 17.111 1.00 102.45 ? ? ? ? ? . 158 ARG A CB 1622 ATOM 1284 C CG . ARG A 1622 158 . -16.402 34.373 17.616 1.00 104.38 ? ? ? ? ? . 158 ARG A CG 1622 ATOM 1285 C CD . ARG A 1622 158 . -15.913 35.802 17.380 1.00 106.32 ? ? ? ? ? . 158 ARG A CD 1622 ATOM 1286 N NE . ARG A 1622 158 . -16.004 36.614 18.600 1.00 117.96 ? ? ? ? ? . 158 ARG A NE 1622 ATOM 1287 C CZ . ARG A 1622 158 . -17.136 36.986 19.212 1.00 120.99 ? ? ? ? ? . 158 ARG A CZ 1622 ATOM 1288 N NH1 . ARG A 1622 158 . -18.333 36.630 18.737 1.00 125.72 ? ? ? ? ? 1+ 158 ARG A NH1 1622 ATOM 1289 N NH2 . ARG A 1622 158 . -17.074 37.726 20.322 1.00 118.74 ? ? ? ? ? . 158 ARG A NH2 1622 ATOM 1290 N N . ASN A 1622 159 . -13.923 31.202 15.619 1.00 81.74 ? ? ? ? ? . 159 ASN A N 1622 ATOM 1291 C CA . ASN A 1622 159 . -12.638 30.772 15.171 1.00 90.81 ? ? ? ? ? . 159 ASN A CA 1622 ATOM 1292 C C . ASN A 1622 159 . -12.842 29.427 14.556 1.00 93.26 ? ? ? ? ? . 159 ASN A C 1622 ATOM 1293 O O . ASN A 1622 159 . -12.890 28.404 15.271 1.00 83.48 ? ? ? ? ? . 159 ASN A O 1622 ATOM 1294 C CB . ASN A 1622 159 . -11.681 30.707 16.352 1.00 112.90 ? ? ? ? ? . 159 ASN A CB 1622 ATOM 1295 C CG . ASN A 1622 159 . -10.233 30.679 15.913 1.00 115.18 ? ? ? ? ? . 159 ASN A CG 1622 ATOM 1296 N ND2 . ASN A 1622 159 . -9.377 31.451 16.605 1.00 105.03 ? ? ? ? ? . 159 ASN A ND2 1622 ATOM 1297 O OD1 . ASN A 1622 159 . -9.884 29.975 14.954 1.00 124.07 ? ? ? ? ? . 159 ASN A OD1 1622 ATOM 1298 N N . MET A 1622 160 . -13.017 29.440 13.235 1.00 71.36 ? ? ? ? ? . 160 MET A N 1622 ATOM 1299 C CA . MET A 1622 160 . -13.202 28.193 12.485 1.00 68.85 ? ? ? ? ? . 160 MET A CA 1622 ATOM 1300 C C . MET A 1622 160 . -12.349 28.265 11.244 1.00 51.85 ? ? ? ? ? . 160 MET A C 1622 ATOM 1301 O O . MET A 1622 160 . -12.241 29.342 10.647 1.00 47.82 ? ? ? ? ? . 160 MET A O 1622 ATOM 1302 C CB . MET A 1622 160 . -14.643 28.054 12.078 1.00 67.14 ? ? ? ? ? . 160 MET A CB 1622 ATOM 1303 C CG . MET A 1622 160 . -15.066 26.613 11.850 1.00 75.15 ? ? ? ? ? . 160 MET A CG 1622 ATOM 1304 S SD . MET A 1622 160 . -16.596 26.507 10.863 1.00 75.60 ? ? ? ? ? . 160 MET A SD 1622 ATOM 1305 C CE . MET A 1622 160 . -17.402 28.170 11.088 1.00 51.46 ? ? ? ? ? . 160 MET A CE 1622 ATOM 1306 N N . GLU A 1622 161 . -11.737 27.149 10.884 1.00 47.62 ? ? ? ? ? . 161 GLU A N 1622 ATOM 1307 C CA . GLU A 1622 161 . -10.862 27.077 9.728 1.00 48.10 ? ? ? ? ? . 161 GLU A CA 1622 ATOM 1308 C C . GLU A 1622 161 . -11.708 27.170 8.433 1.00 52.19 ? ? ? ? ? . 161 GLU A C 1622 ATOM 1309 O O . GLU A 1622 161 . -12.746 26.464 8.300 1.00 46.38 ? ? ? ? ? . 161 GLU A O 1622 ATOM 1310 C CB . GLU A 1622 161 . -10.117 25.742 9.688 1.00 50.81 ? ? ? ? ? . 161 GLU A CB 1622 ATOM 1311 C CG . GLU A 1622 161 . -9.078 25.566 8.542 1.00 56.11 ? ? ? ? ? . 161 GLU A CG 1622 ATOM 1312 C CD . GLU A 1622 161 . -8.310 26.857 8.226 1.00 73.27 ? ? ? ? ? . 161 GLU A CD 1622 ATOM 1313 O OE1 . GLU A 1622 161 . -7.725 27.467 9.177 1.00 71.72 ? ? ? ? ? . 161 GLU A OE1 1622 ATOM 1314 O OE2 . GLU A 1622 161 . -8.333 27.292 7.036 1.00 57.35 ? ? ? ? ? 1- 161 GLU A OE2 1622 ATOM 1315 N N . LYS A 1622 162 . -11.282 28.039 7.509 1.00 41.66 ? ? ? ? ? . 162 LYS A N 1622 ATOM 1316 C CA . LYS A 1622 162 . -11.950 28.203 6.233 1.00 42.26 ? ? ? ? ? . 162 LYS A CA 1622 ATOM 1317 C C . LYS A 1622 162 . -12.055 26.857 5.491 1.00 37.97 ? ? ? ? ? . 162 LYS A C 1622 ATOM 1318 O O . LYS A 1622 162 . -13.065 26.573 4.917 1.00 37.72 ? ? ? ? ? . 162 LYS A O 1622 ATOM 1319 C CB . LYS A 1622 162 . -11.309 29.341 5.363 1.00 46.72 ? ? ? ? ? . 162 LYS A CB 1622 ATOM 1320 C CG . LYS A 1622 162 . -11.789 30.719 5.917 1.00 51.96 ? ? ? ? ? . 162 LYS A CG 1622 ATOM 1321 C CD . LYS A 1622 162 . -11.688 31.869 4.961 1.00 61.25 ? ? ? ? ? . 162 LYS A CD 1622 ATOM 1322 C CE . LYS A 1622 162 . -12.701 32.956 5.297 1.00 65.92 ? ? ? ? ? . 162 LYS A CE 1622 ATOM 1323 N NZ . LYS A 1622 162 . -12.545 33.480 6.665 1.00 75.79 ? ? ? ? ? 1+ 162 LYS A NZ 1622 ATOM 1324 N N . ILE A 1622 163 . -10.993 26.088 5.484 1.00 38.78 ? ? ? ? ? . 163 ILE A N 1622 ATOM 1325 C CA . ILE A 1622 163 . -10.930 24.835 4.745 1.00 42.69 ? ? ? ? ? . 163 ILE A CA 1622 ATOM 1326 C C . ILE A 1622 163 . -11.449 23.689 5.570 1.00 46.23 ? ? ? ? ? . 163 ILE A C 1622 ATOM 1327 O O . ILE A 1622 163 . -10.987 23.501 6.676 1.00 43.32 ? ? ? ? ? . 163 ILE A O 1622 ATOM 1328 C CB . ILE A 1622 163 . -9.518 24.500 4.275 1.00 41.75 ? ? ? ? ? . 163 ILE A CB 1622 ATOM 1329 C CG1 . ILE A 1622 163 . -8.940 25.624 3.404 1.00 45.15 ? ? ? ? ? . 163 ILE A CG1 1622 ATOM 1330 C CG2 . ILE A 1622 163 . -9.456 23.168 3.506 1.00 44.26 ? ? ? ? ? . 163 ILE A CG2 1622 ATOM 1331 C CD1 . ILE A 1622 163 . -9.679 25.934 2.129 1.00 45.95 ? ? ? ? ? . 163 ILE A CD1 1622 ATOM 1332 N N . GLN A 1622 164 . -12.386 22.916 4.991 1.00 37.07 ? ? ? ? ? . 164 GLN A N 1622 ATOM 1333 C CA . GLN A 1622 164 . -13.063 21.777 5.648 1.00 43.21 ? ? ? ? ? . 164 GLN A CA 1622 ATOM 1334 C C . GLN A 1622 164 . -12.995 20.609 4.693 1.00 45.04 ? ? ? ? ? . 164 GLN A C 1622 ATOM 1335 O O . GLN A 1622 164 . -13.456 20.709 3.534 1.00 46.11 ? ? ? ? ? . 164 GLN A O 1622 ATOM 1336 C CB . GLN A 1622 164 . -14.527 22.194 5.901 1.00 48.04 ? ? ? ? ? . 164 GLN A CB 1622 ATOM 1337 C CG . GLN A 1622 164 . -14.678 23.401 6.843 1.00 51.40 ? ? ? ? ? . 164 GLN A CG 1622 ATOM 1338 C CD . GLN A 1622 164 . -14.299 23.021 8.292 1.00 58.33 ? ? ? ? ? . 164 GLN A CD 1622 ATOM 1339 N NE2 . GLN A 1622 164 . -13.757 23.962 9.047 1.00 55.48 ? ? ? ? ? . 164 GLN A NE2 1622 ATOM 1340 O OE1 . GLN A 1622 164 . -14.444 21.872 8.692 1.00 66.26 ? ? ? ? ? . 164 GLN A OE1 1622 ATOM 1341 N N . VAL A 1622 165 . -12.364 19.522 5.080 1.00 43.23 ? ? ? ? ? . 165 VAL A N 1622 ATOM 1342 C CA . VAL A 1622 165 . -12.242 18.389 4.205 1.00 42.84 ? ? ? ? ? . 165 VAL A CA 1622 ATOM 1343 C C . VAL A 1622 165 . -13.444 17.470 4.445 1.00 47.05 ? ? ? ? ? . 165 VAL A C 1622 ATOM 1344 O O . VAL A 1622 165 . -13.856 17.215 5.576 1.00 43.82 ? ? ? ? ? . 165 VAL A O 1622 ATOM 1345 C CB . VAL A 1622 165 . -10.918 17.673 4.415 1.00 54.28 ? ? ? ? ? . 165 VAL A CB 1622 ATOM 1346 C CG1 . VAL A 1622 165 . -10.780 16.494 3.458 1.00 53.89 ? ? ? ? ? . 165 VAL A CG1 1622 ATOM 1347 C CG2 . VAL A 1622 165 . -9.749 18.672 4.265 1.00 54.56 ? ? ? ? ? . 165 VAL A CG2 1622 ATOM 1348 N N . ILE A 1622 166 . -14.066 17.038 3.359 1.00 41.06 ? ? ? ? ? . 166 ILE A N 1622 ATOM 1349 C CA . ILE A 1622 166 . -15.214 16.150 3.446 1.00 41.78 ? ? ? ? ? . 166 ILE A CA 1622 ATOM 1350 C C . ILE A 1622 166 . -14.957 14.999 2.506 1.00 39.17 ? ? ? ? ? . 166 ILE A C 1622 ATOM 1351 O O . ILE A 1622 166 . -14.772 15.189 1.307 1.00 37.69 ? ? ? ? ? . 166 ILE A O 1622 ATOM 1352 C CB . ILE A 1622 166 . -16.534 16.836 3.056 1.00 42.63 ? ? ? ? ? . 166 ILE A CB 1622 ATOM 1353 C CG1 . ILE A 1622 166 . -16.751 18.079 3.893 1.00 47.20 ? ? ? ? ? . 166 ILE A CG1 1622 ATOM 1354 C CG2 . ILE A 1622 166 . -17.715 15.864 3.145 1.00 42.08 ? ? ? ? ? . 166 ILE A CG2 1622 ATOM 1355 C CD1 . ILE A 1622 166 . -18.048 18.791 3.536 1.00 45.64 ? ? ? ? ? . 166 ILE A CD1 1622 ATOM 1356 N N . LYS A 1622 167 . -14.984 13.780 3.034 1.00 45.59 ? ? ? ? ? . 167 LYS A N 1622 ATOM 1357 C CA . LYS A 1622 167 . -14.724 12.578 2.232 1.00 45.12 ? ? ? ? ? . 167 LYS A CA 1622 ATOM 1358 C C . LYS A 1622 167 . -13.498 12.789 1.378 1.00 44.45 ? ? ? ? ? . 167 LYS A C 1622 ATOM 1359 O O . LYS A 1622 167 . -13.498 12.471 0.223 1.00 45.34 ? ? ? ? ? . 167 LYS A O 1622 ATOM 1360 C CB . LYS A 1622 167 . -15.913 12.222 1.334 1.00 50.64 ? ? ? ? ? . 167 LYS A CB 1622 ATOM 1361 C CG . LYS A 1622 167 . -17.201 11.929 2.072 1.00 55.08 ? ? ? ? ? . 167 LYS A CG 1622 ATOM 1362 C CD . LYS A 1622 167 . -17.177 10.503 2.630 1.00 59.66 ? ? ? ? ? . 167 LYS A CD 1622 ATOM 1363 C CE . LYS A 1622 167 . -18.177 10.300 3.758 1.00 63.96 ? ? ? ? ? . 167 LYS A CE 1622 ATOM 1364 N NZ . LYS A 1622 167 . -18.188 8.878 4.203 1.00 66.33 ? ? ? ? ? 1+ 167 LYS A NZ 1622 ATOM 1365 N N . ASP A 1622 168 . -12.456 13.361 1.953 1.00 50.51 ? ? ? ? ? . 168 ASP A N 1622 ATOM 1366 C CA . ASP A 1622 168 . -11.218 13.632 1.237 1.00 50.79 ? ? ? ? ? . 168 ASP A CA 1622 ATOM 1367 C C . ASP A 1622 168 . -11.221 14.787 0.236 1.00 54.83 ? ? ? ? ? . 168 ASP A C 1622 ATOM 1368 O O . ASP A 1622 168 . -10.186 15.026 -0.392 1.00 50.05 ? ? ? ? ? . 168 ASP A O 1622 ATOM 1369 C CB . ASP A 1622 168 . -10.690 12.371 0.502 1.00 70.03 ? ? ? ? ? . 168 ASP A CB 1622 ATOM 1370 C CG . ASP A 1622 168 . -9.610 11.687 1.261 1.00 78.81 ? ? ? ? ? . 168 ASP A CG 1622 ATOM 1371 O OD1 . ASP A 1622 168 . -9.952 10.945 2.216 1.00 82.97 ? ? ? ? ? . 168 ASP A OD1 1622 ATOM 1372 O OD2 . ASP A 1622 168 . -8.434 11.920 0.905 1.00 80.66 ? ? ? ? ? 1- 168 ASP A OD2 1622 ATOM 1373 N N . PHE A 1622 169 . -12.329 15.498 0.067 1.00 41.21 ? ? ? ? ? . 169 PHE A N 1622 ATOM 1374 C CA . PHE A 1622 169 . -12.332 16.640 -0.851 1.00 40.62 ? ? ? ? ? . 169 PHE A CA 1622 ATOM 1375 C C . PHE A 1622 169 . -12.318 17.922 -0.056 1.00 38.14 ? ? ? ? ? . 169 PHE A C 1622 ATOM 1376 O O . PHE A 1622 169 . -13.120 18.076 0.863 1.00 39.99 ? ? ? ? ? . 169 PHE A O 1622 ATOM 1377 C CB . PHE A 1622 169 . -13.590 16.607 -1.709 1.00 43.65 ? ? ? ? ? . 169 PHE A CB 1622 ATOM 1378 C CG . PHE A 1622 169 . -13.608 15.490 -2.666 1.00 41.48 ? ? ? ? ? . 169 PHE A CG 1622 ATOM 1379 C CD1 . PHE A 1622 169 . -12.921 15.599 -3.870 1.00 45.81 ? ? ? ? ? . 169 PHE A CD1 1622 ATOM 1380 C CD2 . PHE A 1622 169 . -14.267 14.306 -2.365 1.00 41.99 ? ? ? ? ? . 169 PHE A CD2 1622 ATOM 1381 C CE1 . PHE A 1622 169 . -12.891 14.549 -4.786 1.00 46.76 ? ? ? ? ? . 169 PHE A CE1 1622 ATOM 1382 C CE2 . PHE A 1622 169 . -14.241 13.258 -3.273 1.00 42.82 ? ? ? ? ? . 169 PHE A CE2 1622 ATOM 1383 C CZ . PHE A 1622 169 . -13.575 13.383 -4.478 1.00 40.68 ? ? ? ? ? . 169 PHE A CZ 1622 ATOM 1384 N N . PRO A 1622 170 . -11.437 18.867 -0.420 1.00 39.27 ? ? ? ? ? . 170 PRO A N 1622 ATOM 1385 C CA . PRO A 1622 170 . -11.469 20.105 0.323 1.00 37.06 ? ? ? ? ? . 170 PRO A CA 1622 ATOM 1386 C C . PRO A 1622 170 . -12.641 20.973 -0.107 1.00 31.03 ? ? ? ? ? . 170 PRO A C 1622 ATOM 1387 O O . PRO A 1622 170 . -12.831 21.216 -1.303 1.00 33.58 ? ? ? ? ? . 170 PRO A O 1622 ATOM 1388 C CB . PRO A 1622 170 . -10.137 20.781 -0.051 1.00 40.30 ? ? ? ? ? . 170 PRO A CB 1622 ATOM 1389 C CG . PRO A 1622 170 . -9.823 20.248 -1.425 1.00 47.47 ? ? ? ? ? . 170 PRO A CG 1622 ATOM 1390 C CD . PRO A 1622 170 . -10.394 18.850 -1.470 1.00 43.82 ? ? ? ? ? . 170 PRO A CD 1622 ATOM 1391 N N . TRP A 1622 171 . -13.381 21.434 0.887 1.00 34.39 ? ? ? ? ? . 171 TRP A N 1622 ATOM 1392 C CA . TRP A 1622 171 . -14.436 22.442 0.763 1.00 32.88 ? ? ? ? ? . 171 TRP A CA 1622 ATOM 1393 C C . TRP A 1622 171 . -13.965 23.684 1.488 1.00 34.08 ? ? ? ? ? . 171 TRP A C 1622 ATOM 1394 O O . TRP A 1622 171 . -13.050 23.625 2.251 1.00 36.97 ? ? ? ? ? . 171 TRP A O 1622 ATOM 1395 C CB . TRP A 1622 171 . -15.733 21.970 1.370 1.00 33.29 ? ? ? ? ? . 171 TRP A CB 1622 ATOM 1396 C CG . TRP A 1622 171 . -16.445 20.863 0.462 1.00 35.28 ? ? ? ? ? . 171 TRP A CG 1622 ATOM 1397 C CD1 . TRP A 1622 171 . -15.919 19.643 0.116 1.00 39.64 ? ? ? ? ? . 171 TRP A CD1 1622 ATOM 1398 C CD2 . TRP A 1622 171 . -17.718 20.950 -0.194 1.00 32.20 ? ? ? ? ? . 171 TRP A CD2 1622 ATOM 1399 C CE2 . TRP A 1622 171 . -17.923 19.738 -0.904 1.00 33.37 ? ? ? ? ? . 171 TRP A CE2 1622 ATOM 1400 C CE3 . TRP A 1622 171 . -18.749 21.894 -0.198 1.00 31.65 ? ? ? ? ? . 171 TRP A CE3 1622 ATOM 1401 N NE1 . TRP A 1622 171 . -16.823 18.946 -0.707 1.00 35.90 ? ? ? ? ? . 171 TRP A NE1 1622 ATOM 1402 C CZ2 . TRP A 1622 171 . -19.096 19.466 -1.573 1.00 31.58 ? ? ? ? ? . 171 TRP A CZ2 1622 ATOM 1403 C CZ3 . TRP A 1622 171 . -19.862 21.647 -0.896 1.00 34.37 ? ? ? ? ? . 171 TRP A CZ3 1622 ATOM 1404 C CH2 . TRP A 1622 171 . -20.049 20.420 -1.586 1.00 32.53 ? ? ? ? ? . 171 TRP A CH2 1622 ATOM 1405 N N . ILE A 1622 172 . -14.644 24.787 1.264 1.00 31.63 ? ? ? ? ? . 172 ILE A N 1622 ATOM 1406 C CA . ILE A 1622 172 . -14.305 26.039 1.880 1.00 31.47 ? ? ? ? ? . 172 ILE A CA 1622 ATOM 1407 C C . ILE A 1622 172 . -15.581 26.771 2.300 1.00 32.95 ? ? ? ? ? . 172 ILE A C 1622 ATOM 1408 O O . ILE A 1622 172 . -16.580 26.686 1.614 1.00 32.59 ? ? ? ? ? . 172 ILE A O 1622 ATOM 1409 C CB . ILE A 1622 172 . -13.421 26.896 0.982 1.00 34.09 ? ? ? ? ? . 172 ILE A CB 1622 ATOM 1410 C CG1 . ILE A 1622 172 . -12.884 28.090 1.782 1.00 35.43 ? ? ? ? ? . 172 ILE A CG1 1622 ATOM 1411 C CG2 . ILE A 1622 172 . -14.150 27.364 -0.282 1.00 38.20 ? ? ? ? ? . 172 ILE A CG2 1622 ATOM 1412 C CD1 . ILE A 1622 172 . -11.856 28.900 1.013 1.00 35.35 ? ? ? ? ? . 172 ILE A CD1 1622 ATOM 1413 N N . LEU A 1622 173 . -15.534 27.458 3.449 1.00 33.69 ? ? ? ? ? . 173 LEU A N 1622 ATOM 1414 C CA . LEU A 1622 173 . -16.600 28.430 3.807 1.00 35.13 ? ? ? ? ? . 173 LEU A CA 1622 ATOM 1415 C C . LEU A 1622 173 . -16.776 29.402 2.675 1.00 41.38 ? ? ? ? ? . 173 LEU A C 1622 ATOM 1416 O O . LEU A 1622 173 . -15.789 29.947 2.171 1.00 39.58 ? ? ? ? ? . 173 LEU A O 1622 ATOM 1417 C CB . LEU A 1622 173 . -16.333 29.165 5.122 1.00 41.78 ? ? ? ? ? . 173 LEU A CB 1622 ATOM 1418 C CG . LEU A 1622 173 . -15.996 28.291 6.325 1.00 47.11 ? ? ? ? ? . 173 LEU A CG 1622 ATOM 1419 C CD1 . LEU A 1622 173 . -15.621 29.158 7.568 1.00 52.22 ? ? ? ? ? . 173 LEU A CD1 1622 ATOM 1420 C CD2 . LEU A 1622 173 . -17.127 27.350 6.666 1.00 46.81 ? ? ? ? ? . 173 LEU A CD2 1622 ATOM 1421 N N . ALA A 1622 174 . -18.016 29.617 2.224 1.00 37.43 ? ? ? ? ? . 174 ALA A N 1622 ATOM 1422 C CA . ALA A 1622 174 . -18.223 30.353 1.025 1.00 43.30 ? ? ? ? ? . 174 ALA A CA 1622 ATOM 1423 C C . ALA A 1622 174 . -18.024 31.849 1.390 1.00 50.22 ? ? ? ? ? . 174 ALA A C 1622 ATOM 1424 O O . ALA A 1622 174 . -18.466 32.276 2.430 1.00 45.24 ? ? ? ? ? . 174 ALA A O 1622 ATOM 1425 C CB . ALA A 1622 174 . -19.589 30.087 0.445 1.00 44.60 ? ? ? ? ? . 174 ALA A CB 1622 ATOM 1426 N N A ASP A 1622 175 . -17.301 32.577 0.524 0.50 56.58 ? ? ? ? ? . 175 ASP A N 1622 ATOM 1427 N N B ASP A 1622 175 . -17.289 32.612 0.597 0.50 57.12 ? ? ? ? ? . 175 ASP A N 1622 ATOM 1428 C CA A ASP A 1622 175 . -17.017 34.014 0.735 0.50 61.97 ? ? ? ? ? . 175 ASP A CA 1622 ATOM 1429 C CA B ASP A 1622 175 . -17.082 34.015 0.976 0.50 62.38 ? ? ? ? ? . 175 ASP A CA 1622 ATOM 1430 C C A ASP A 1622 175 . -18.235 34.842 0.307 0.50 60.21 ? ? ? ? ? . 175 ASP A C 1622 ATOM 1431 C C B ASP A 1622 175 . -18.103 34.879 0.245 0.50 60.11 ? ? ? ? ? . 175 ASP A C 1622 ATOM 1432 O O A ASP A 1622 175 . -19.140 34.330 -0.356 0.50 57.51 ? ? ? ? ? . 175 ASP A O 1622 ATOM 1433 O O B ASP A 1622 175 . -18.695 34.443 -0.742 0.50 56.56 ? ? ? ? ? . 175 ASP A O 1622 ATOM 1434 C CB A ASP A 1622 175 . -15.665 34.489 0.089 0.50 59.19 ? ? ? ? ? . 175 ASP A CB 1622 ATOM 1435 C CB B ASP A 1622 175 . -15.630 34.468 0.780 0.50 62.23 ? ? ? ? ? . 175 ASP A CB 1622 ATOM 1436 C CG A ASP A 1622 175 . -15.544 34.210 -1.428 0.50 57.95 ? ? ? ? ? . 175 ASP A CG 1622 ATOM 1437 C CG B ASP A 1622 175 . -15.213 35.463 1.833 0.50 60.99 ? ? ? ? ? . 175 ASP A CG 1622 ATOM 1438 O OD1 A ASP A 1622 175 . -16.556 34.111 -2.139 0.50 62.23 ? ? ? ? ? . 175 ASP A OD1 1622 ATOM 1439 O OD2 A ASP A 1622 175 . -14.408 34.136 -1.935 0.50 46.62 ? ? ? ? ? 1- 175 ASP A OD2 1622 ATOM 1440 O OD1 B ASP A 1622 175 . -15.862 36.530 1.850 0.50 57.02 ? ? ? ? ? . 175 ASP A OD1 1622 ATOM 1441 O OD2 B ASP A 1622 175 . -14.263 35.204 2.616 0.50 59.03 ? ? ? ? ? 1- 175 ASP A OD2 1622 ATOM 1442 N N . GLU A 1622 176 . -18.302 36.091 0.751 1.00 69.96 ? ? ? ? ? . 176 GLU A N 1622 ATOM 1443 C CA . GLU A 1622 176 . -19.380 36.991 0.325 1.00 74.47 ? ? ? ? ? . 176 GLU A CA 1622 ATOM 1444 C C . GLU A 1622 176 . -19.587 37.175 -1.197 1.00 69.52 ? ? ? ? ? . 176 GLU A C 1622 ATOM 1445 O O . GLU A 1622 176 . -20.705 37.394 -1.610 1.00 62.90 ? ? ? ? ? . 176 GLU A O 1622 ATOM 1446 C CB . GLU A 1622 176 . -19.218 38.346 1.002 1.00 90.39 ? ? ? ? ? . 176 GLU A CB 1622 ATOM 1447 C CG . GLU A 1622 176 . -19.502 38.311 2.499 1.00 100.55 ? ? ? ? ? . 176 GLU A CG 1622 ATOM 1448 C CD . GLU A 1622 176 . -19.287 39.667 3.148 1.00 108.92 ? ? ? ? ? . 176 GLU A CD 1622 ATOM 1449 O OE1 . GLU A 1622 176 . -18.477 39.752 4.099 1.00 115.92 ? ? ? ? ? . 176 GLU A OE1 1622 ATOM 1450 O OE2 . GLU A 1622 176 . -19.915 40.651 2.692 1.00 106.89 ? ? ? ? ? 1- 176 GLU A OE2 1622 ATOM 1451 N N . GLN A 1622 177 . -18.547 37.027 -2.024 1.00 72.26 ? ? ? ? ? . 177 GLN A N 1622 ATOM 1452 C CA . GLN A 1622 177 . -18.727 37.098 -3.502 1.00 82.17 ? ? ? ? ? . 177 GLN A CA 1622 ATOM 1453 C C . GLN A 1622 177 . -19.787 36.129 -4.056 1.00 78.72 ? ? ? ? ? . 177 GLN A C 1622 ATOM 1454 O O . GLN A 1622 177 . -20.557 36.498 -4.924 1.00 69.70 ? ? ? ? ? . 177 GLN A O 1622 ATOM 1455 C CB . GLN A 1622 177 . -17.431 36.795 -4.226 1.00 97.22 ? ? ? ? ? . 177 GLN A CB 1622 ATOM 1456 C CG . GLN A 1622 177 . -16.329 37.813 -3.987 1.00 111.53 ? ? ? ? ? . 177 GLN A CG 1622 ATOM 1457 C CD . GLN A 1622 177 . -14.966 37.173 -3.834 1.00 121.04 ? ? ? ? ? . 177 GLN A CD 1622 ATOM 1458 N NE2 . GLN A 1622 177 . -13.936 38.005 -3.754 1.00 129.99 ? ? ? ? ? . 177 GLN A NE2 1622 ATOM 1459 O OE1 . GLN A 1622 177 . -14.838 35.947 -3.781 1.00 118.06 ? ? ? ? ? . 177 GLN A OE1 1622 ATOM 1460 N N . ASP A 1622 178 . -19.823 34.911 -3.529 1.00 59.23 ? ? ? ? ? . 178 ASP A N 1622 ATOM 1461 C CA . ASP A 1622 178 . -20.793 33.907 -3.944 1.00 62.72 ? ? ? ? ? . 178 ASP A CA 1622 ATOM 1462 C C . ASP A 1622 178 . -22.070 33.890 -3.118 1.00 63.68 ? ? ? ? ? . 178 ASP A C 1622 ATOM 1463 O O . ASP A 1622 178 . -23.156 33.772 -3.651 1.00 64.07 ? ? ? ? ? . 178 ASP A O 1622 ATOM 1464 C CB . ASP A 1622 178 . -20.111 32.541 -3.895 1.00 67.90 ? ? ? ? ? . 178 ASP A CB 1622 ATOM 1465 C CG . ASP A 1622 178 . -18.832 32.483 -4.783 1.00 74.25 ? ? ? ? ? . 178 ASP A CG 1622 ATOM 1466 O OD1 . ASP A 1622 178 . -18.931 32.816 -5.987 1.00 76.91 ? ? ? ? ? . 178 ASP A OD1 1622 ATOM 1467 O OD2 . ASP A 1622 178 . -17.728 32.106 -4.289 1.00 66.29 ? ? ? ? ? 1- 178 ASP A OD2 1622 ATOM 1468 N N . VAL A 1622 179 . -21.952 33.998 -1.803 1.00 70.02 ? ? ? ? ? . 179 VAL A N 1622 ATOM 1469 C CA . VAL A 1622 179 . -23.140 33.926 -0.894 1.00 70.26 ? ? ? ? ? . 179 VAL A CA 1622 ATOM 1470 C C . VAL A 1622 179 . -24.153 35.089 -1.076 1.00 74.93 ? ? ? ? ? . 179 VAL A C 1622 ATOM 1471 O O . VAL A 1622 179 . -25.374 34.880 -0.888 1.00 65.21 ? ? ? ? ? . 179 VAL A O 1622 ATOM 1472 C CB . VAL A 1622 179 . -22.693 33.811 0.605 1.00 78.29 ? ? ? ? ? . 179 VAL A CB 1622 ATOM 1473 C CG1 . VAL A 1622 179 . -23.873 33.852 1.592 1.00 73.63 ? ? ? ? ? . 179 VAL A CG1 1622 ATOM 1474 C CG2 . VAL A 1622 179 . -21.876 32.528 0.816 1.00 75.79 ? ? ? ? ? . 179 VAL A CG2 1622 ATOM 1475 N N . HIS A 1622 180 . -23.653 36.273 -1.466 1.00 74.44 ? ? ? ? ? . 180 HIS A N 1622 ATOM 1476 C CA . HIS A 1622 180 . -24.445 37.505 -1.549 1.00 72.57 ? ? ? ? ? . 180 HIS A CA 1622 ATOM 1477 C C . HIS A 1622 180 . -24.880 37.826 -2.975 1.00 64.62 ? ? ? ? ? . 180 HIS A C 1622 ATOM 1478 O O . HIS A 1622 180 . -24.069 37.901 -3.895 1.00 57.07 ? ? ? ? ? . 180 HIS A O 1622 ATOM 1479 C CB . HIS A 1622 180 . -23.630 38.669 -0.973 1.00 91.87 ? ? ? ? ? . 180 HIS A CB 1622 ATOM 1480 C CG . HIS A 1622 180 . -24.367 39.977 -0.913 1.00 107.54 ? ? ? ? ? . 180 HIS A CG 1622 ATOM 1481 C CD2 . HIS A 1622 180 . -24.087 41.180 -1.472 1.00 108.90 ? ? ? ? ? . 180 HIS A CD2 1622 ATOM 1482 N ND1 . HIS A 1622 180 . -25.528 40.154 -0.187 1.00 111.47 ? ? ? ? ? . 180 HIS A ND1 1622 ATOM 1483 C CE1 . HIS A 1622 180 . -25.938 41.405 -0.314 1.00 116.49 ? ? ? ? ? . 180 HIS A CE1 1622 ATOM 1484 N NE2 . HIS A 1622 180 . -25.080 42.048 -1.087 1.00 114.47 ? ? ? ? ? . 180 HIS A NE2 1622 ATOM 1485 N N . MET A 1622 181 . -26.184 37.991 -3.148 1.00 63.87 ? ? ? ? ? . 181 MET A N 1622 ATOM 1486 C CA . MET A 1622 181 . -26.737 38.668 -4.301 1.00 71.91 ? ? ? ? ? . 181 MET A CA 1622 ATOM 1487 C C . MET A 1622 181 . -27.538 39.848 -3.763 1.00 74.20 ? ? ? ? ? . 181 MET A C 1622 ATOM 1488 O O . MET A 1622 181 . -28.298 39.682 -2.822 1.00 74.29 ? ? ? ? ? . 181 MET A O 1622 ATOM 1489 C CB . MET A 1622 181 . -27.660 37.758 -5.114 1.00 66.19 ? ? ? ? ? . 181 MET A CB 1622 ATOM 1490 C CG . MET A 1622 181 . -26.996 36.551 -5.764 1.00 69.10 ? ? ? ? ? . 181 MET A CG 1622 ATOM 1491 S SD . MET A 1622 181 . -28.123 35.778 -6.963 1.00 64.55 ? ? ? ? ? . 181 MET A SD 1622 ATOM 1492 C CE . MET A 1622 181 . -27.473 36.477 -8.417 1.00 54.92 ? ? ? ? ? . 181 MET A CE 1622 ATOM 1493 N N . HIS A 1622 182 . -27.348 41.022 -4.365 1.00 80.80 ? ? ? ? ? . 182 HIS A N 1622 ATOM 1494 C CA . HIS A 1622 182 . -28.004 42.255 -3.921 1.00 89.36 ? ? ? ? ? . 182 HIS A CA 1622 ATOM 1495 C C . HIS A 1622 182 . -29.476 42.161 -4.270 1.00 73.63 ? ? ? ? ? . 182 HIS A C 1622 ATOM 1496 O O . HIS A 1622 182 . -29.834 42.342 -5.418 1.00 73.22 ? ? ? ? ? . 182 HIS A O 1622 ATOM 1497 C CB . HIS A 1622 182 . -27.382 43.519 -4.600 1.00 111.65 ? ? ? ? ? . 182 HIS A CB 1622 ATOM 1498 C CG . HIS A 1622 182 . -26.300 44.199 -3.797 1.00 125.55 ? ? ? ? ? . 182 HIS A CG 1622 ATOM 1499 C CD2 . HIS A 1622 182 . -24.950 44.202 -3.936 1.00 129.84 ? ? ? ? ? . 182 HIS A CD2 1622 ATOM 1500 N ND1 . HIS A 1622 182 . -26.573 45.031 -2.728 1.00 125.14 ? ? ? ? ? . 182 HIS A ND1 1622 ATOM 1501 C CE1 . HIS A 1622 182 . -25.440 45.498 -2.231 1.00 124.19 ? ? ? ? ? . 182 HIS A CE1 1622 ATOM 1502 N NE2 . HIS A 1622 182 . -24.440 45.010 -2.945 1.00 126.56 ? ? ? ? ? . 182 HIS A NE2 1622 ATOM 1503 N N . ASP A 1622 183 . -30.318 41.851 -3.289 1.00 75.65 ? ? ? ? ? . 183 ASP A N 1622 ATOM 1504 C CA . ASP A 1622 183 . -31.784 41.903 -3.457 1.00 78.09 ? ? ? ? ? . 183 ASP A CA 1622 ATOM 1505 C C . ASP A 1622 183 . -32.211 41.240 -4.782 1.00 77.36 ? ? ? ? ? . 183 ASP A C 1622 ATOM 1506 O O . ASP A 1622 183 . -32.687 41.886 -5.736 1.00 60.69 ? ? ? ? ? . 183 ASP A O 1622 ATOM 1507 C CB . ASP A 1622 183 . -32.307 43.341 -3.325 1.00 91.90 ? ? ? ? ? . 183 ASP A CB 1622 ATOM 1508 C CG . ASP A 1622 183 . -32.489 43.763 -1.864 1.00 96.01 ? ? ? ? ? . 183 ASP A CG 1622 ATOM 1509 O OD1 . ASP A 1622 183 . -31.481 44.043 -1.175 1.00 95.88 ? ? ? ? ? . 183 ASP A OD1 1622 ATOM 1510 O OD2 . ASP A 1622 183 . -33.651 43.805 -1.407 1.00 106.43 ? ? ? ? ? 1- 183 ASP A OD2 1622 ATOM 1511 N N . PRO A 1622 184 . -32.006 39.923 -4.851 1.00 64.97 ? ? ? ? ? . 184 PRO A N 1622 ATOM 1512 C CA . PRO A 1622 184 . -32.295 39.245 -6.086 1.00 57.13 ? ? ? ? ? . 184 PRO A CA 1622 ATOM 1513 C C . PRO A 1622 184 . -33.799 39.114 -6.275 1.00 56.65 ? ? ? ? ? . 184 PRO A C 1622 ATOM 1514 O O . PRO A 1622 184 . -34.541 39.164 -5.318 1.00 57.43 ? ? ? ? ? . 184 PRO A O 1622 ATOM 1515 C CB . PRO A 1622 184 . -31.626 37.895 -5.880 1.00 59.76 ? ? ? ? ? . 184 PRO A CB 1622 ATOM 1516 C CG . PRO A 1622 184 . -31.665 37.645 -4.412 1.00 62.38 ? ? ? ? ? . 184 PRO A CG 1622 ATOM 1517 C CD . PRO A 1622 184 . -31.782 38.988 -3.736 1.00 63.06 ? ? ? ? ? . 184 PRO A CD 1622 ATOM 1518 N N . ARG A 1622 185 . -34.217 38.922 -7.516 1.00 53.07 ? ? ? ? ? . 185 ARG A N 1622 ATOM 1519 C CA . ARG A 1622 185 . -35.574 38.582 -7.858 1.00 54.52 ? ? ? ? ? . 185 ARG A CA 1622 ATOM 1520 C C . ARG A 1622 185 . -35.744 37.082 -7.633 1.00 56.17 ? ? ? ? ? . 185 ARG A C 1622 ATOM 1521 O O . ARG A 1622 185 . -34.909 36.265 -8.080 1.00 48.75 ? ? ? ? ? . 185 ARG A O 1622 ATOM 1522 C CB . ARG A 1622 185 . -35.778 38.967 -9.314 1.00 61.02 ? ? ? ? ? . 185 ARG A CB 1622 ATOM 1523 C CG . ARG A 1622 185 . -37.170 38.785 -9.912 1.00 74.66 ? ? ? ? ? . 185 ARG A CG 1622 ATOM 1524 C CD . ARG A 1622 185 . -37.289 39.291 -11.383 1.00 80.84 ? ? ? ? ? . 185 ARG A CD 1622 ATOM 1525 N NE . ARG A 1622 185 . -36.067 39.112 -12.204 1.00 82.90 ? ? ? ? ? . 185 ARG A NE 1622 ATOM 1526 C CZ . ARG A 1622 185 . -35.031 39.972 -12.274 1.00 91.48 ? ? ? ? ? . 185 ARG A CZ 1622 ATOM 1527 N NH1 . ARG A 1622 185 . -35.030 41.130 -11.588 1.00 94.00 ? ? ? ? ? 1+ 185 ARG A NH1 1622 ATOM 1528 N NH2 . ARG A 1622 185 . -33.966 39.674 -13.035 1.00 77.72 ? ? ? ? ? . 185 ARG A NH2 1622 ATOM 1529 N N . LEU A 1622 186 . -36.822 36.707 -6.961 1.00 52.07 ? ? ? ? ? . 186 LEU A N 1622 ATOM 1530 C CA . LEU A 1622 186 . -37.068 35.306 -6.563 1.00 56.24 ? ? ? ? ? . 186 LEU A CA 1622 ATOM 1531 C C . LEU A 1622 186 . -38.124 34.697 -7.448 1.00 56.43 ? ? ? ? ? . 186 LEU A C 1622 ATOM 1532 O O . LEU A 1622 186 . -39.207 35.260 -7.570 1.00 58.05 ? ? ? ? ? . 186 LEU A O 1622 ATOM 1533 C CB . LEU A 1622 186 . -37.490 35.200 -5.080 1.00 64.52 ? ? ? ? ? . 186 LEU A CB 1622 ATOM 1534 C CG . LEU A 1622 186 . -36.551 35.682 -3.952 1.00 65.90 ? ? ? ? ? . 186 LEU A CG 1622 ATOM 1535 C CD1 . LEU A 1622 186 . -37.092 35.278 -2.574 1.00 65.62 ? ? ? ? ? . 186 LEU A CD1 1622 ATOM 1536 C CD2 . LEU A 1622 186 . -35.157 35.115 -4.134 1.00 66.31 ? ? ? ? ? . 186 LEU A CD2 1622 ATOM 1537 N N . ILE A 1622 187 . -37.799 33.566 -8.098 1.00 47.43 ? ? ? ? ? . 187 ILE A N 1622 ATOM 1538 C CA . ILE A 1622 187 . -38.654 32.917 -9.047 1.00 42.91 ? ? ? ? ? . 187 ILE A CA 1622 ATOM 1539 C C . ILE A 1622 187 . -38.999 31.507 -8.568 1.00 49.20 ? ? ? ? ? . 187 ILE A C 1622 ATOM 1540 O O . ILE A 1622 187 . -38.184 30.588 -8.656 1.00 47.60 ? ? ? ? ? . 187 ILE A O 1622 ATOM 1541 C CB . ILE A 1622 187 . -37.998 32.911 -10.455 1.00 51.55 ? ? ? ? ? . 187 ILE A CB 1622 ATOM 1542 C CG1 . ILE A 1622 187 . -37.911 34.343 -11.009 1.00 59.29 ? ? ? ? ? . 187 ILE A CG1 1622 ATOM 1543 C CG2 . ILE A 1622 187 . -38.809 32.041 -11.401 1.00 51.07 ? ? ? ? ? . 187 ILE A CG2 1622 ATOM 1544 C CD1 . ILE A 1622 187 . -36.595 34.664 -11.671 1.00 64.86 ? ? ? ? ? . 187 ILE A CD1 1622 ATOM 1545 N N . PRO A 1622 188 . -40.229 31.294 -8.106 1.00 52.36 ? ? ? ? ? . 188 PRO A N 1622 ATOM 1546 C CA . PRO A 1622 188 . -40.622 29.944 -7.656 1.00 50.92 ? ? ? ? ? . 188 PRO A CA 1622 ATOM 1547 C C . PRO A 1622 188 . -40.851 28.948 -8.755 1.00 53.71 ? ? ? ? ? . 188 PRO A C 1622 ATOM 1548 O O . PRO A 1622 188 . -41.519 29.244 -9.692 1.00 54.70 ? ? ? ? ? . 188 PRO A O 1622 ATOM 1549 C CB . PRO A 1622 188 . -41.949 30.174 -6.915 1.00 57.27 ? ? ? ? ? . 188 PRO A CB 1622 ATOM 1550 C CG . PRO A 1622 188 . -42.106 31.680 -6.848 1.00 61.54 ? ? ? ? ? . 188 PRO A CG 1622 ATOM 1551 C CD . PRO A 1622 188 . -41.343 32.244 -8.006 1.00 55.99 ? ? ? ? ? . 188 PRO A CD 1622 ATOM 1552 N N . LEU A 1622 189 . -40.320 27.738 -8.614 1.00 44.46 ? ? ? ? ? . 189 LEU A N 1622 ATOM 1553 C CA . LEU A 1622 189 . -40.518 26.698 -9.551 1.00 42.68 ? ? ? ? ? . 189 LEU A CA 1622 ATOM 1554 C C . LEU A 1622 189 . -41.417 25.636 -9.029 1.00 49.58 ? ? ? ? ? . 189 LEU A C 1622 ATOM 1555 O O . LEU A 1622 189 . -42.373 25.252 -9.708 1.00 46.49 ? ? ? ? ? . 189 LEU A O 1622 ATOM 1556 C CB . LEU A 1622 189 . -39.174 26.118 -10.030 1.00 48.06 ? ? ? ? ? . 189 LEU A CB 1622 ATOM 1557 C CG . LEU A 1622 189 . -38.251 27.109 -10.763 1.00 43.08 ? ? ? ? ? . 189 LEU A CG 1622 ATOM 1558 C CD1 . LEU A 1622 189 . -36.973 26.421 -11.253 1.00 44.02 ? ? ? ? ? . 189 LEU A CD1 1622 ATOM 1559 C CD2 . LEU A 1622 189 . -38.946 27.815 -11.911 1.00 48.66 ? ? ? ? ? . 189 LEU A CD2 1622 ATOM 1560 N N . LYS A 1622 190 . -41.178 25.141 -7.821 1.00 44.92 ? ? ? ? ? . 190 LYS A N 1622 ATOM 1561 C CA . LYS A 1622 190 . -41.940 23.995 -7.340 1.00 39.61 ? ? ? ? ? . 190 LYS A CA 1622 ATOM 1562 C C . LYS A 1622 190 . -41.766 23.819 -5.822 1.00 43.19 ? ? ? ? ? . 190 LYS A C 1622 ATOM 1563 O O . LYS A 1622 190 . -40.663 24.016 -5.265 1.00 42.95 ? ? ? ? ? . 190 LYS A O 1622 ATOM 1564 C CB . LYS A 1622 190 . -41.477 22.750 -8.063 1.00 40.59 ? ? ? ? ? . 190 LYS A CB 1622 ATOM 1565 C CG . LYS A 1622 190 . -42.308 21.496 -7.817 1.00 43.82 ? ? ? ? ? . 190 LYS A CG 1622 ATOM 1566 C CD . LYS A 1622 190 . -43.727 21.589 -8.428 1.00 51.31 ? ? ? ? ? . 190 LYS A CD 1622 ATOM 1567 C CE . LYS A 1622 190 . -44.659 20.527 -7.811 1.00 53.64 ? ? ? ? ? . 190 LYS A CE 1622 ATOM 1568 N NZ . LYS A 1622 190 . -46.044 20.695 -8.355 1.00 59.33 ? ? ? ? ? 1+ 190 LYS A NZ 1622 ATOM 1569 N N . THR A 1622 191 . -42.838 23.418 -5.139 1.00 40.91 ? ? ? ? ? . 191 THR A N 1622 ATOM 1570 C CA . THR A 1622 191 . -42.761 23.117 -3.726 1.00 41.85 ? ? ? ? ? . 191 THR A CA 1622 ATOM 1571 C C . THR A 1622 191 . -43.372 21.784 -3.518 1.00 45.01 ? ? ? ? ? . 191 THR A C 1622 ATOM 1572 O O . THR A 1622 191 . -44.310 21.387 -4.229 1.00 44.70 ? ? ? ? ? . 191 THR A O 1622 ATOM 1573 C CB . THR A 1622 191 . -43.437 24.207 -2.894 1.00 43.53 ? ? ? ? ? . 191 THR A CB 1622 ATOM 1574 C CG2 . THR A 1622 191 . -43.222 23.985 -1.414 1.00 48.25 ? ? ? ? ? . 191 THR A CG2 1622 ATOM 1575 O OG1 . THR A 1622 191 . -42.817 25.459 -3.179 1.00 51.07 ? ? ? ? ? . 191 THR A OG1 1622 ATOM 1576 N N . MET A 1622 192 . -42.804 21.037 -2.601 1.00 39.97 ? ? ? ? ? . 192 MET A N 1622 ATOM 1577 C CA . MET A 1622 192 . -43.388 19.748 -2.191 1.00 41.17 ? ? ? ? ? . 192 MET A CA 1622 ATOM 1578 C C . MET A 1622 192 . -43.288 19.590 -0.688 1.00 41.31 ? ? ? ? ? . 192 MET A C 1622 ATOM 1579 O O . MET A 1622 192 . -42.227 19.856 -0.075 1.00 41.14 ? ? ? ? ? . 192 MET A O 1622 ATOM 1580 C CB . MET A 1622 192 . -42.716 18.558 -2.878 1.00 39.42 ? ? ? ? ? . 192 MET A CB 1622 ATOM 1581 C CG . MET A 1622 192 . -43.079 17.193 -2.311 1.00 46.73 ? ? ? ? ? . 192 MET A CG 1622 ATOM 1582 S SD . MET A 1622 192 . -41.996 15.870 -2.887 1.00 56.45 ? ? ? ? ? . 192 MET A SD 1622 ATOM 1583 C CE . MET A 1622 192 . -40.449 16.596 -2.350 1.00 50.15 ? ? ? ? ? . 192 MET A CE 1622 ATOM 1584 N N . THR A 1622 193 . -44.371 19.092 -0.101 1.00 40.82 ? ? ? ? ? . 193 THR A N 1622 ATOM 1585 C CA . THR A 1622 193 . -44.410 18.630 1.269 1.00 42.08 ? ? ? ? ? . 193 THR A CA 1622 ATOM 1586 C C . THR A 1622 193 . -44.809 17.169 1.309 1.00 43.03 ? ? ? ? ? . 193 THR A C 1622 ATOM 1587 O O . THR A 1622 193 . -45.909 16.824 1.020 1.00 53.99 ? ? ? ? ? . 193 THR A O 1622 ATOM 1588 C CB . THR A 1622 193 . -45.336 19.538 2.134 1.00 50.45 ? ? ? ? ? . 193 THR A CB 1622 ATOM 1589 C CG2 . THR A 1622 193 . -45.384 19.071 3.613 1.00 53.85 ? ? ? ? ? . 193 THR A CG2 1622 ATOM 1590 O OG1 . THR A 1622 193 . -44.774 20.857 2.151 1.00 50.77 ? ? ? ? ? . 193 THR A OG1 1622 ATOM 1591 N N . SER A 1622 194 . -43.917 16.277 1.661 1.00 41.73 ? ? ? ? ? . 194 SER A N 1622 ATOM 1592 C CA . SER A 1622 194 . -44.284 14.891 1.761 1.00 39.10 ? ? ? ? ? . 194 SER A CA 1622 ATOM 1593 C C . SER A 1622 194 . -44.147 14.472 3.220 1.00 45.29 ? ? ? ? ? . 194 SER A C 1622 ATOM 1594 O O . SER A 1622 194 . -43.727 15.263 4.066 1.00 43.50 ? ? ? ? ? . 194 SER A O 1622 ATOM 1595 C CB . SER A 1622 194 . -43.406 14.064 0.862 1.00 45.80 ? ? ? ? ? . 194 SER A CB 1622 ATOM 1596 O OG . SER A 1622 194 . -42.086 14.048 1.401 1.00 44.18 ? ? ? ? ? . 194 SER A OG 1622 ATOM 1597 N N . ASP A 1622 195 . -44.477 13.214 3.522 1.00 45.95 ? ? ? ? ? . 195 ASP A N 1622 ATOM 1598 C CA . ASP A 1622 195 . -44.386 12.734 4.894 1.00 49.68 ? ? ? ? ? . 195 ASP A CA 1622 ATOM 1599 C C . ASP A 1622 195 . -42.947 12.853 5.477 1.00 45.25 ? ? ? ? ? . 195 ASP A C 1622 ATOM 1600 O O . ASP A 1622 195 . -42.780 13.245 6.604 1.00 46.69 ? ? ? ? ? . 195 ASP A O 1622 ATOM 1601 C CB . ASP A 1622 195 . -44.918 11.301 4.999 1.00 50.06 ? ? ? ? ? . 195 ASP A CB 1622 ATOM 1602 C CG . ASP A 1622 195 . -44.214 10.323 4.074 1.00 53.80 ? ? ? ? ? . 195 ASP A CG 1622 ATOM 1603 O OD1 . ASP A 1622 195 . -43.425 10.723 3.164 1.00 48.13 ? ? ? ? ? . 195 ASP A OD1 1622 ATOM 1604 O OD2 . ASP A 1622 195 . -44.467 9.119 4.234 1.00 56.98 ? ? ? ? ? 1- 195 ASP A OD2 1622 ATOM 1605 N N . ILE A 1622 196 . -41.946 12.600 4.644 1.00 45.12 ? ? ? ? ? . 196 ILE A N 1622 ATOM 1606 C CA . ILE A 1622 196 . -40.550 12.524 5.086 1.00 47.40 ? ? ? ? ? . 196 ILE A CA 1622 ATOM 1607 C C . ILE A 1622 196 . -39.738 13.790 4.725 1.00 45.98 ? ? ? ? ? . 196 ILE A C 1622 ATOM 1608 O O . ILE A 1622 196 . -38.896 14.199 5.470 1.00 47.98 ? ? ? ? ? . 196 ILE A O 1622 ATOM 1609 C CB . ILE A 1622 196 . -39.856 11.220 4.599 1.00 47.76 ? ? ? ? ? . 196 ILE A CB 1622 ATOM 1610 C CG1 . ILE A 1622 196 . -39.789 11.089 3.092 1.00 60.32 ? ? ? ? ? . 196 ILE A CG1 1622 ATOM 1611 C CG2 . ILE A 1622 196 . -40.635 10.005 5.048 1.00 56.26 ? ? ? ? ? . 196 ILE A CG2 1622 ATOM 1612 C CD1 . ILE A 1622 196 . -39.186 9.768 2.590 1.00 61.60 ? ? ? ? ? . 196 ILE A CD1 1622 ATOM 1613 N N . LEU A 1622 197 . -40.060 14.445 3.636 1.00 39.60 ? ? ? ? ? . 197 LEU A N 1622 ATOM 1614 C CA . LEU A 1622 197 . -39.268 15.549 3.089 1.00 39.30 ? ? ? ? ? . 197 LEU A CA 1622 ATOM 1615 C C . LEU A 1622 197 . -40.131 16.707 2.625 1.00 40.07 ? ? ? ? ? . 197 LEU A C 1622 ATOM 1616 O O . LEU A 1622 197 . -41.139 16.510 1.910 1.00 39.61 ? ? ? ? ? . 197 LEU A O 1622 ATOM 1617 C CB . LEU A 1622 197 . -38.514 14.998 1.882 1.00 38.30 ? ? ? ? ? . 197 LEU A CB 1622 ATOM 1618 C CG . LEU A 1622 197 . -37.753 15.966 1.027 1.00 36.47 ? ? ? ? ? . 197 LEU A CG 1622 ATOM 1619 C CD1 . LEU A 1622 197 . -36.560 16.470 1.875 1.00 41.00 ? ? ? ? ? . 197 LEU A CD1 1622 ATOM 1620 C CD2 . LEU A 1622 197 . -37.303 15.346 -0.270 1.00 43.22 ? ? ? ? ? . 197 LEU A CD2 1622 ATOM 1621 N N . LYS A 1622 198 . -39.677 17.906 2.939 1.00 34.31 ? ? ? ? ? . 198 LYS A N 1622 ATOM 1622 C CA . LYS A 1622 198 . -40.199 19.110 2.395 1.00 36.99 ? ? ? ? ? . 198 LYS A CA 1622 ATOM 1623 C C . LYS A 1622 198 . -39.083 19.708 1.542 1.00 39.20 ? ? ? ? ? . 198 LYS A C 1622 ATOM 1624 O O . LYS A 1622 198 . -37.927 19.772 1.982 1.00 36.20 ? ? ? ? ? . 198 LYS A O 1622 ATOM 1625 C CB . LYS A 1622 198 . -40.704 20.041 3.473 1.00 41.42 ? ? ? ? ? . 198 LYS A CB 1622 ATOM 1626 C CG . LYS A 1622 198 . -41.168 21.359 2.925 1.00 55.86 ? ? ? ? ? . 198 LYS A CG 1622 ATOM 1627 C CD . LYS A 1622 198 . -42.048 22.158 3.907 1.00 67.91 ? ? ? ? ? . 198 LYS A CD 1622 ATOM 1628 C CE . LYS A 1622 198 . -42.541 23.443 3.233 1.00 67.76 ? ? ? ? ? . 198 LYS A CE 1622 ATOM 1629 N NZ . LYS A 1622 198 . -43.001 24.469 4.215 1.00 74.47 ? ? ? ? ? 1+ 198 LYS A NZ 1622 ATOM 1630 N N . MET A 1622 199 . -39.409 20.007 0.292 1.00 38.56 ? ? ? ? ? . 199 MET A N 1622 ATOM 1631 C CA . MET A 1622 199 . -38.417 20.559 -0.667 1.00 37.83 ? ? ? ? ? . 199 MET A CA 1622 ATOM 1632 C C . MET A 1622 199 . -39.056 21.632 -1.540 1.00 38.30 ? ? ? ? ? . 199 MET A C 1622 ATOM 1633 O O . MET A 1622 199 . -40.164 21.474 -2.071 1.00 39.46 ? ? ? ? ? . 199 MET A O 1622 ATOM 1634 C CB . MET A 1622 199 . -37.775 19.481 -1.518 1.00 36.97 ? ? ? ? ? . 199 MET A CB 1622 ATOM 1635 C CG . MET A 1622 199 . -36.836 20.042 -2.615 1.00 37.29 ? ? ? ? ? . 199 MET A CG 1622 ATOM 1636 S SD . MET A 1622 199 . -35.725 18.730 -3.199 1.00 38.92 ? ? ? ? ? . 199 MET A SD 1622 ATOM 1637 C CE . MET A 1622 199 . -36.931 17.744 -4.118 1.00 38.82 ? ? ? ? ? . 199 MET A CE 1622 ATOM 1638 N N . GLN A 1622 200 . -38.378 22.750 -1.621 1.00 33.03 ? ? ? ? ? . 200 GLN A N 1622 ATOM 1639 C CA . GLN A 1622 200 . -38.790 23.852 -2.446 1.00 40.63 ? ? ? ? ? . 200 GLN A CA 1622 ATOM 1640 C C . GLN A 1622 200 . -37.667 24.190 -3.402 1.00 39.14 ? ? ? ? ? . 200 GLN A C 1622 ATOM 1641 O O . GLN A 1622 200 . -36.529 24.345 -2.996 1.00 37.35 ? ? ? ? ? . 200 GLN A O 1622 ATOM 1642 C CB . GLN A 1622 200 . -39.033 25.042 -1.530 1.00 50.63 ? ? ? ? ? . 200 GLN A CB 1622 ATOM 1643 C CG . GLN A 1622 200 . -39.802 26.190 -2.099 1.00 64.86 ? ? ? ? ? . 200 GLN A CG 1622 ATOM 1644 C CD . GLN A 1622 200 . -40.056 27.274 -1.039 1.00 66.35 ? ? ? ? ? . 200 GLN A CD 1622 ATOM 1645 N NE2 . GLN A 1622 200 . -40.393 28.463 -1.501 1.00 71.16 ? ? ? ? ? . 200 GLN A NE2 1622 ATOM 1646 O OE1 . GLN A 1622 200 . -39.914 27.044 0.165 1.00 62.36 ? ? ? ? ? . 200 GLN A OE1 1622 ATOM 1647 N N . LEU A 1622 201 . -37.988 24.311 -4.685 1.00 36.28 ? ? ? ? ? . 201 LEU A N 1622 ATOM 1648 C CA . LEU A 1622 201 . -37.073 24.803 -5.662 1.00 36.51 ? ? ? ? ? . 201 LEU A CA 1622 ATOM 1649 C C . LEU A 1622 201 . -37.474 26.180 -6.129 1.00 40.24 ? ? ? ? ? . 201 LEU A C 1622 ATOM 1650 O O . LEU A 1622 201 . -38.590 26.373 -6.553 1.00 43.20 ? ? ? ? ? . 201 LEU A O 1622 ATOM 1651 C CB . LEU A 1622 201 . -37.035 23.830 -6.824 1.00 39.37 ? ? ? ? ? . 201 LEU A CB 1622 ATOM 1652 C CG . LEU A 1622 201 . -36.225 24.269 -8.036 1.00 36.67 ? ? ? ? ? . 201 LEU A CG 1622 ATOM 1653 C CD1 . LEU A 1622 201 . -34.767 24.639 -7.799 1.00 37.30 ? ? ? ? ? . 201 LEU A CD1 1622 ATOM 1654 C CD2 . LEU A 1622 201 . -36.306 23.135 -9.016 1.00 39.16 ? ? ? ? ? . 201 LEU A CD2 1622 ATOM 1655 N N . TYR A 1622 202 . -36.545 27.099 -6.131 1.00 35.99 ? ? ? ? ? . 202 TYR A N 1622 ATOM 1656 C CA . TYR A 1622 202 . -36.769 28.434 -6.657 1.00 40.78 ? ? ? ? ? . 202 TYR A CA 1622 ATOM 1657 C C . TYR A 1622 202 . -35.445 28.967 -7.124 1.00 39.75 ? ? ? ? ? . 202 TYR A C 1622 ATOM 1658 O O . TYR A 1622 202 . -34.378 28.418 -6.793 1.00 38.20 ? ? ? ? ? . 202 TYR A O 1622 ATOM 1659 C CB . TYR A 1622 202 . -37.441 29.385 -5.616 1.00 42.40 ? ? ? ? ? . 202 TYR A CB 1622 ATOM 1660 C CG . TYR A 1622 202 . -36.627 29.611 -4.372 1.00 41.25 ? ? ? ? ? . 202 TYR A CG 1622 ATOM 1661 C CD1 . TYR A 1622 202 . -35.701 30.632 -4.314 1.00 38.27 ? ? ? ? ? . 202 TYR A CD1 1622 ATOM 1662 C CD2 . TYR A 1622 202 . -36.819 28.819 -3.243 1.00 43.94 ? ? ? ? ? . 202 TYR A CD2 1622 ATOM 1663 C CE1 . TYR A 1622 202 . -34.973 30.868 -3.157 1.00 50.06 ? ? ? ? ? . 202 TYR A CE1 1622 ATOM 1664 C CE2 . TYR A 1622 202 . -36.072 29.026 -2.073 1.00 41.76 ? ? ? ? ? . 202 TYR A CE2 1622 ATOM 1665 C CZ . TYR A 1622 202 . -35.131 30.039 -2.058 1.00 44.22 ? ? ? ? ? . 202 TYR A CZ 1622 ATOM 1666 O OH . TYR A 1622 202 . -34.398 30.314 -0.916 1.00 48.99 ? ? ? ? ? . 202 TYR A OH 1622 ATOM 1667 N N . VAL A 1622 203 . -35.497 29.991 -7.981 1.00 37.32 ? ? ? ? ? . 203 VAL A N 1622 ATOM 1668 C CA . VAL A 1622 203 . -34.335 30.550 -8.558 1.00 37.85 ? ? ? ? ? . 203 VAL A CA 1622 ATOM 1669 C C . VAL A 1622 203 . -34.249 31.954 -8.083 1.00 41.55 ? ? ? ? ? . 203 VAL A C 1622 ATOM 1670 O O . VAL A 1622 203 . -35.267 32.649 -8.022 1.00 41.73 ? ? ? ? ? . 203 VAL A O 1622 ATOM 1671 C CB . VAL A 1622 203 . -34.441 30.561 -10.117 1.00 38.91 ? ? ? ? ? . 203 VAL A CB 1622 ATOM 1672 C CG1 . VAL A 1622 203 . -33.203 31.135 -10.702 1.00 38.26 ? ? ? ? ? . 203 VAL A CG1 1622 ATOM 1673 C CG2 . VAL A 1622 203 . -34.687 29.178 -10.661 1.00 39.69 ? ? ? ? ? . 203 VAL A CG2 1622 ATOM 1674 N N . GLU A 1622 204 . -33.053 32.377 -7.755 1.00 37.58 ? ? ? ? ? . 204 GLU A N 1622 ATOM 1675 C CA . GLU A 1622 204 . -32.765 33.770 -7.511 1.00 40.86 ? ? ? ? ? . 204 GLU A CA 1622 ATOM 1676 C C . GLU A 1622 204 . -32.004 34.282 -8.722 1.00 45.15 ? ? ? ? ? . 204 GLU A C 1622 ATOM 1677 O O . GLU A 1622 204 . -30.967 33.670 -9.132 1.00 42.81 ? ? ? ? ? . 204 GLU A O 1622 ATOM 1678 C CB . GLU A 1622 204 . -31.856 33.936 -6.273 1.00 43.02 ? ? ? ? ? . 204 GLU A CB 1622 ATOM 1679 C CG . GLU A 1622 204 . -32.348 33.261 -5.002 1.00 47.40 ? ? ? ? ? . 204 GLU A CG 1622 ATOM 1680 C CD . GLU A 1622 204 . -31.457 33.445 -3.763 1.00 54.56 ? ? ? ? ? . 204 GLU A CD 1622 ATOM 1681 O OE1 . GLU A 1622 204 . -30.288 33.918 -3.813 1.00 55.74 ? ? ? ? ? . 204 GLU A OE1 1622 ATOM 1682 O OE2 . GLU A 1622 204 . -31.962 33.088 -2.692 1.00 62.63 ? ? ? ? ? 1- 204 GLU A OE2 1622 ATOM 1683 N N . GLU A 1622 205 . -32.453 35.435 -9.263 1.00 41.21 ? ? ? ? ? . 205 GLU A N 1622 ATOM 1684 C CA . GLU A 1622 205 . -31.809 36.111 -10.394 1.00 47.85 ? ? ? ? ? . 205 GLU A CA 1622 ATOM 1685 C C . GLU A 1622 205 . -31.340 37.468 -9.956 1.00 49.42 ? ? ? ? ? . 205 GLU A C 1622 ATOM 1686 O O . GLU A 1622 205 . -32.001 38.094 -9.138 1.00 50.20 ? ? ? ? ? . 205 GLU A O 1622 ATOM 1687 C CB . GLU A 1622 205 . -32.809 36.412 -11.495 1.00 55.53 ? ? ? ? ? . 205 GLU A CB 1622 ATOM 1688 C CG . GLU A 1622 205 . -33.450 35.248 -12.167 1.00 61.44 ? ? ? ? ? . 205 GLU A CG 1622 ATOM 1689 C CD . GLU A 1622 205 . -32.630 34.750 -13.316 1.00 71.72 ? ? ? ? ? . 205 GLU A CD 1622 ATOM 1690 O OE1 . GLU A 1622 205 . -33.006 35.051 -14.465 1.00 62.59 ? ? ? ? ? . 205 GLU A OE1 1622 ATOM 1691 O OE2 . GLU A 1622 205 . -31.620 34.083 -13.039 1.00 68.95 ? ? ? ? ? 1- 205 GLU A OE2 1622 ATOM 1692 N N . ARG A 1622 206 . -30.220 37.910 -10.475 1.00 53.12 ? ? ? ? ? . 206 ARG A N 1622 ATOM 1693 C CA . ARG A 1622 206 . -29.740 39.260 -10.182 1.00 66.41 ? ? ? ? ? . 206 ARG A CA 1622 ATOM 1694 C C . ARG A 1622 206 . -30.810 40.337 -10.602 1.00 59.50 ? ? ? ? ? . 206 ARG A C 1622 ATOM 1695 O O . ARG A 1622 206 . -31.403 40.234 -11.679 1.00 66.27 ? ? ? ? ? . 206 ARG A O 1622 ATOM 1696 C CB . ARG A 1622 206 . -28.377 39.481 -10.858 1.00 69.46 ? ? ? ? ? . 206 ARG A CB 1622 ATOM 1697 C CG . ARG A 1622 206 . -27.570 40.617 -10.230 1.00 86.76 ? ? ? ? ? . 206 ARG A CG 1622 ATOM 1698 C CD . ARG A 1622 206 . -26.092 40.573 -10.584 1.00 94.56 ? ? ? ? ? . 206 ARG A CD 1622 ATOM 1699 N NE . ARG A 1622 206 . -25.899 40.368 -12.016 1.00 104.21 ? ? ? ? ? . 206 ARG A NE 1622 ATOM 1700 C CZ . ARG A 1622 206 . -24.729 40.117 -12.609 1.00 109.54 ? ? ? ? ? . 206 ARG A CZ 1622 ATOM 1701 N NH1 . ARG A 1622 206 . -23.587 40.049 -11.913 1.00 105.49 ? ? ? ? ? 1+ 206 ARG A NH1 1622 ATOM 1702 N NH2 . ARG A 1622 206 . -24.708 39.939 -13.934 1.00 106.91 ? ? ? ? ? . 206 ARG A NH2 1622 ATOM 1703 N N . ALA A 1622 207 . -31.118 41.290 -9.712 1.00 72.42 ? ? ? ? ? . 207 ALA A N 1622 ATOM 1704 C CA . ALA A 1622 207 . -32.000 42.435 -10.046 1.00 79.02 ? ? ? ? ? . 207 ALA A CA 1622 ATOM 1705 C C . ALA A 1622 207 . -31.168 43.561 -10.620 1.00 72.34 ? ? ? ? ? . 207 ALA A C 1622 ATOM 1706 O O . ALA A 1622 207 . -30.109 43.869 -10.071 1.00 74.61 ? ? ? ? ? . 207 ALA A O 1622 ATOM 1707 C CB . ALA A 1622 207 . -32.798 42.912 -8.835 1.00 76.14 ? ? ? ? ? . 207 ALA A CB 1622 ATOM 1708 N N . HIS A 1622 208 . -31.619 44.280 -11.820 1.00 0.00 ? ? ? ? ? . 208 HIS A N 1622 ATOM 1709 C CA . HIS A 1622 208 . -30.600 45.288 -12.102 1.00 0.00 ? ? ? ? ? . 208 HIS A CA 1622 ATOM 1710 C C . HIS A 1622 208 . -31.231 46.594 -12.518 1.00 0.00 ? ? ? ? ? . 208 HIS A C 1622 ATOM 1711 O O . HIS A 1622 208 . -32.162 46.643 -13.336 1.00 0.00 ? ? ? ? ? . 208 HIS A O 1622 ATOM 1712 C CB . HIS A 1622 208 . -29.735 44.722 -13.240 1.00 0.00 ? ? ? ? ? . 208 HIS A CB 1622 ATOM 1713 C CG . HIS A 1622 208 . -28.299 44.558 -12.837 1.00 0.00 ? ? ? ? ? . 208 HIS A CG 1622 ATOM 1714 C CD2 . HIS A 1622 208 . -27.805 43.385 -12.281 1.00 0.00 ? ? ? ? ? . 208 HIS A CD2 1622 ATOM 1715 N ND1 . HIS A 1622 208 . -27.301 45.522 -12.962 1.00 0.00 ? ? ? ? ? . 208 HIS A ND1 1622 ATOM 1716 C CE1 . HIS A 1622 208 . -26.257 44.841 -12.454 1.00 0.00 ? ? ? ? ? . 208 HIS A CE1 1622 ATOM 1717 N NE2 . HIS A 1622 208 . -26.470 43.565 -12.029 1.00 0.00 ? ? ? ? ? . 208 HIS A NE2 1622 ATOM 1718 H H . HIS A 1622 208 . -32.523 44.099 -12.382 1.00 0.00 ? ? ? ? ? . 208 HIS A H 1622 ATOM 1719 H HA . HIS A 1622 208 . -30.057 45.485 -11.162 1.00 0.00 ? ? ? ? ? . 208 HIS A HA 1622 ATOM 1720 H HB2 . HIS A 1622 208 . -29.766 45.380 -14.131 1.00 0.00 ? ? ? ? ? . 208 HIS A HB2 1622 ATOM 1721 H HB3 . HIS A 1622 208 . -30.101 43.735 -13.592 1.00 0.00 ? ? ? ? ? . 208 HIS A HB3 1622 ATOM 1722 H HD2 . HIS A 1622 208 . -28.400 42.496 -12.091 1.00 0.00 ? ? ? ? ? . 208 HIS A HD2 1622 ATOM 1723 H HE1 . HIS A 1622 208 . -25.301 45.345 -12.413 1.00 0.00 ? ? ? ? ? . 208 HIS A HE1 1622 ATOM 1724 H HE2 . HIS A 1622 208 . -25.802 42.897 -11.618 1.00 0.00 ? ? ? ? ? . 208 HIS A HE2 1622 ATOM 1725 N N . LYS A 1622 209 . -30.727 47.847 -11.937 1.00 0.00 ? ? ? ? ? . 209 LYS A N 1622 ATOM 1726 C CA . LYS A 1622 209 . -31.522 48.921 -12.525 1.00 0.00 ? ? ? ? ? . 209 LYS A CA 1622 ATOM 1727 C C . LYS A 1622 209 . -30.656 50.109 -12.869 1.00 0.00 ? ? ? ? ? . 209 LYS A C 1622 ATOM 1728 O O . LYS A 1622 209 . -29.800 50.548 -12.087 1.00 0.00 ? ? ? ? ? . 209 LYS A O 1622 ATOM 1729 C CB . LYS A 1622 209 . -32.653 49.325 -11.540 1.00 0.00 ? ? ? ? ? . 209 LYS A CB 1622 ATOM 1730 C CG . LYS A 1622 209 . -33.603 50.410 -12.104 1.00 0.00 ? ? ? ? ? . 209 LYS A CG 1622 ATOM 1731 C CD . LYS A 1622 209 . -34.692 50.880 -11.135 1.00 0.00 ? ? ? ? ? . 209 LYS A CD 1622 ATOM 1732 C CE . LYS A 1622 209 . -35.508 51.999 -11.795 1.00 0.00 ? ? ? ? ? . 209 LYS A CE 1622 ATOM 1733 N NZ . LYS A 1622 209 . -36.660 52.335 -10.941 1.00 0.00 ? ? ? ? ? 1+ 209 LYS A NZ 1622 ATOM 1734 H H . LYS A 1622 209 . -29.927 47.951 -11.218 1.00 0.00 ? ? ? ? ? . 209 LYS A H 1622 ATOM 1735 H HA . LYS A 1622 209 . -31.968 48.550 -13.466 1.00 0.00 ? ? ? ? ? . 209 LYS A HA 1622 ATOM 1736 H HB2 . LYS A 1622 209 . -32.208 49.673 -10.584 1.00 0.00 ? ? ? ? ? . 209 LYS A HB2 1622 ATOM 1737 H HB3 . LYS A 1622 209 . -33.247 48.430 -11.267 1.00 0.00 ? ? ? ? ? . 209 LYS A HB3 1622 ATOM 1738 H HG2 . LYS A 1622 209 . -34.065 50.047 -13.043 1.00 0.00 ? ? ? ? ? . 209 LYS A HG2 1622 ATOM 1739 H HG3 . LYS A 1622 209 . -33.028 51.311 -12.387 1.00 0.00 ? ? ? ? ? . 209 LYS A HG3 1622 ATOM 1740 H HD2 . LYS A 1622 209 . -34.227 51.248 -10.197 1.00 0.00 ? ? ? ? ? . 209 LYS A HD2 1622 ATOM 1741 H HD3 . LYS A 1622 209 . -35.334 50.025 -10.850 1.00 0.00 ? ? ? ? ? . 209 LYS A HD3 1622 ATOM 1742 H HE2 . LYS A 1622 209 . -35.868 51.693 -12.800 1.00 0.00 ? ? ? ? ? . 209 LYS A HE2 1622 ATOM 1743 H HE3 . LYS A 1622 209 . -34.874 52.896 -11.961 1.00 0.00 ? ? ? ? ? . 209 LYS A HE3 1622 ATOM 1744 H HZ1 . LYS A 1622 209 . -36.402 52.282 -9.948 1.00 0.00 ? ? ? ? ? . 209 LYS A HZ1 1622 ATOM 1745 H HZ2 . LYS A 1622 209 . -36.975 53.298 -11.101 1.00 0.00 ? ? ? ? ? . 209 LYS A HZ2 1622 ATOM 1746 H HZ3 . LYS A 1622 209 . -37.388 51.675 -11.172 1.00 0.00 ? ? ? ? ? . 209 LYS A HZ3 1622 ATOM 1747 N N . GLY A 1622 210 . -30.833 50.766 -14.172 1.00 0.00 ? ? ? ? ? . 210 GLY A N 1622 ATOM 1748 C CA . GLY A 1622 210 . -29.870 51.863 -14.213 1.00 0.00 ? ? ? ? ? . 210 GLY A CA 1622 ATOM 1749 C C . GLY A 1622 210 . -30.481 53.097 -14.830 1.00 0.00 ? ? ? ? ? . 210 GLY A C 1622 ATOM 1750 O O . GLY A 1622 210 . -31.158 53.046 -15.860 1.00 0.00 ? ? ? ? ? . 210 GLY A O 1622 ATOM 1751 H H . GLY A 1622 210 . -31.536 50.492 -14.946 1.00 0.00 ? ? ? ? ? . 210 GLY A H 1622 ATOM 1752 H HA3 . GLY A 1622 210 . -29.046 51.558 -14.788 0.00 0.00 ? ? ? ? ? . 210 GLY A HA3 1622 ATOM 1753 H HA . GLY A 1622 210 . -29.569 52.114 -13.178 1.00 0.00 ? ? ? ? ? . 210 GLY A HA 1622 ATOM 1754 N N . SER A 1622 211 . -30.264 54.399 -14.184 1.00 0.00 ? ? ? ? ? . 211 SER A N 1622 ATOM 1755 C CA . SER A 1622 211 . -30.967 55.384 -15.001 1.00 0.00 ? ? ? ? ? . 211 SER A CA 1622 ATOM 1756 C C . SER A 1622 211 . -30.150 56.646 -15.150 1.00 0.00 ? ? ? ? ? . 211 SER A C 1622 ATOM 1757 O O . SER A 1622 211 . -29.042 56.770 -14.628 1.00 0.00 ? ? ? ? ? . 211 SER A O 1622 ATOM 1758 C CB . SER A 1622 211 . -32.372 55.680 -14.420 1.00 0.00 ? ? ? ? ? . 211 SER A CB 1622 ATOM 1759 O OG . SER A 1622 211 . -32.322 56.396 -13.181 1.00 0.00 ? ? ? ? ? . 211 SER A OG 1622 ATOM 1760 H H . SER A 1622 211 . -29.697 54.590 -13.285 1.00 0.00 ? ? ? ? ? . 211 SER A H 1622 ATOM 1761 H HA . SER A 1622 211 . -31.090 54.960 -16.015 1.00 0.00 ? ? ? ? ? . 211 SER A HA 1622 ATOM 1762 H HB2 . SER A 1622 211 . -32.954 54.749 -14.286 1.00 0.00 ? ? ? ? ? . 211 SER A HB2 1622 ATOM 1763 H HB3 . SER A 1622 211 . -32.957 56.280 -15.145 1.00 0.00 ? ? ? ? ? . 211 SER A HB3 1622 ATOM 1764 H HG . SER A 1622 211 . -31.878 55.833 -12.542 1.00 0.00 ? ? ? ? ? . 211 SER A HG 1622 ATOM 1766 N N . MET B 1622 1987 . -33.535 37.652 17.085 1.00 0.00 ? ? ? ? ? . 1987 MET B N 1622 ATOM 1767 C CA . MET B 1622 1987 . -32.277 36.939 17.292 1.00 0.00 ? ? ? ? ? . 1987 MET B CA 1622 ATOM 1768 C C . MET B 1622 1987 . -31.701 36.463 15.981 1.00 0.00 ? ? ? ? ? . 1987 MET B C 1622 ATOM 1769 O O . MET B 1622 1987 . -32.402 35.914 15.117 1.00 0.00 ? ? ? ? ? . 1987 MET B O 1622 ATOM 1770 C CB . MET B 1622 1987 . -32.501 35.749 18.265 1.00 0.00 ? ? ? ? ? . 1987 MET B CB 1622 ATOM 1771 C CG . MET B 1622 1987 . -32.958 36.121 19.692 1.00 0.00 ? ? ? ? ? . 1987 MET B CG 1622 ATOM 1772 S SD . MET B 1622 1987 . -32.886 34.669 20.754 1.00 0.00 ? ? ? ? ? . 1987 MET B SD 1622 ATOM 1773 C CE . MET B 1622 1987 . -33.818 35.314 22.150 1.00 0.00 ? ? ? ? ? . 1987 MET B CE 1622 ATOM 1774 H H . MET B 1622 1987 . -34.327 37.382 16.401 1.00 0.00 ? ? ? ? ? . 1987 MET B H 1622 ATOM 1775 H HA . MET B 1622 1987 . -31.544 37.640 17.734 1.00 0.00 ? ? ? ? ? . 1987 MET B HA 1622 ATOM 1776 H HB2 . MET B 1622 1987 . -31.563 35.167 18.354 1.00 0.00 ? ? ? ? ? . 1987 MET B HB2 1622 ATOM 1777 H HB3 . MET B 1622 1987 . -33.234 35.040 17.830 1.00 0.00 ? ? ? ? ? . 1987 MET B HB3 1622 ATOM 1778 H HG2 . MET B 1622 1987 . -33.995 36.507 19.670 1.00 0.00 ? ? ? ? ? . 1987 MET B HG2 1622 ATOM 1779 H HG3 . MET B 1622 1987 . -32.331 36.921 20.125 1.00 0.00 ? ? ? ? ? . 1987 MET B HG3 1622 ATOM 1780 H HE1 . MET B 1622 1987 . -33.366 36.248 22.530 1.00 0.00 ? ? ? ? ? . 1987 MET B HE1 1622 ATOM 1781 H HE2 . MET B 1622 1987 . -34.859 35.527 21.851 1.00 0.00 ? ? ? ? ? . 1987 MET B HE2 1622 ATOM 1782 H HE3 . MET B 1622 1987 . -33.839 34.579 22.973 1.00 0.00 ? ? ? ? ? . 1987 MET B HE3 1622 ATOM 1783 N N . GLU B 1622 1988 . -30.267 36.654 15.721 1.00 0.00 ? ? ? ? ? . 1988 GLU B N 1622 ATOM 1784 C CA . GLU B 1622 1988 . -30.015 36.100 14.393 1.00 0.00 ? ? ? ? ? . 1988 GLU B CA 1622 ATOM 1785 C C . GLU B 1622 1988 . -28.715 35.332 14.366 1.00 0.00 ? ? ? ? ? . 1988 GLU B C 1622 ATOM 1786 O O . GLU B 1622 1988 . -27.679 35.776 14.883 1.00 0.00 ? ? ? ? ? . 1988 GLU B O 1622 ATOM 1787 C CB . GLU B 1622 1988 . -29.991 37.246 13.342 1.00 0.00 ? ? ? ? ? . 1988 GLU B CB 1622 ATOM 1788 C CG . GLU B 1622 1988 . -29.779 36.801 11.859 1.00 0.00 ? ? ? ? ? . 1988 GLU B CG 1622 ATOM 1789 C CD . GLU B 1622 1988 . -29.684 37.874 10.790 1.00 0.00 ? ? ? ? ? . 1988 GLU B CD 1622 ATOM 1790 O OE1 . GLU B 1622 1988 . -29.796 39.080 11.082 1.00 0.00 ? ? ? ? ? . 1988 GLU B OE1 1622 ATOM 1791 O OE2 . GLU B 1622 1988 . -29.477 37.482 9.623 1.00 0.00 ? ? ? ? ? 1- 1988 GLU B OE2 1622 ATOM 1792 H H . GLU B 1622 1988 . -29.545 37.113 16.379 1.00 0.00 ? ? ? ? ? . 1988 GLU B H 1622 ATOM 1793 H HA . GLU B 1622 1988 . -30.829 35.397 14.142 1.00 0.00 ? ? ? ? ? . 1988 GLU B HA 1622 ATOM 1794 H HB2 . GLU B 1622 1988 . -29.201 37.979 13.604 1.00 0.00 ? ? ? ? ? . 1988 GLU B HB2 1622 ATOM 1795 H HB3 . GLU B 1622 1988 . -30.931 37.828 13.396 1.00 0.00 ? ? ? ? ? . 1988 GLU B HB3 1622 ATOM 1796 H HG2 . GLU B 1622 1988 . -30.572 36.109 11.532 1.00 0.00 ? ? ? ? ? . 1988 GLU B HG2 1622 ATOM 1797 H HG3 . GLU B 1622 1988 . -28.834 36.247 11.738 1.00 0.00 ? ? ? ? ? . 1988 GLU B HG3 1622 ATOM 1798 N N . ASP B 1622 1989 . -28.677 34.019 13.707 1.00 82.70 ? ? ? ? ? . 1989 ASP B N 1622 ATOM 1799 C CA . ASP B 1622 1989 . -27.289 33.448 13.805 1.00 80.44 ? ? ? ? ? . 1989 ASP B CA 1622 ATOM 1800 C C . ASP B 1622 1989 . -26.878 32.780 12.504 1.00 76.92 ? ? ? ? ? . 1989 ASP B C 1622 ATOM 1801 O O . ASP B 1622 1989 . -27.657 31.991 11.934 1.00 71.30 ? ? ? ? ? . 1989 ASP B O 1622 ATOM 1802 C CB . ASP B 1622 1989 . -27.189 32.398 14.918 1.00 84.59 ? ? ? ? ? . 1989 ASP B CB 1622 ATOM 1803 C CG . ASP B 1622 1989 . -27.460 32.968 16.288 1.00 83.82 ? ? ? ? ? . 1989 ASP B CG 1622 ATOM 1804 O OD1 . ASP B 1622 1989 . -27.139 34.161 16.545 1.00 81.27 ? ? ? ? ? . 1989 ASP B OD1 1622 ATOM 1805 O OD2 . ASP B 1622 1989 . -27.986 32.202 17.113 1.00 79.53 ? ? ? ? ? 1- 1989 ASP B OD2 1622 ATOM 1806 N N . LYS B 1622 1990 . -25.641 33.055 12.078 1.00 66.29 ? ? ? ? ? . 1990 LYS B N 1622 ATOM 1807 C CA . LYS B 1622 1990 . -25.173 32.637 10.745 1.00 71.73 ? ? ? ? ? . 1990 LYS B CA 1622 ATOM 1808 C C . LYS B 1622 1990 . -24.783 31.162 10.769 1.00 64.60 ? ? ? ? ? . 1990 LYS B C 1622 ATOM 1809 O O . LYS B 1622 1990 . -24.233 30.646 11.768 1.00 58.71 ? ? ? ? ? . 1990 LYS B O 1622 ATOM 1810 C CB . LYS B 1622 1990 . -24.006 33.504 10.252 1.00 73.46 ? ? ? ? ? . 1990 LYS B CB 1622 ATOM 1811 C CG . LYS B 1622 1990 . -24.032 33.740 8.745 1.00 82.58 ? ? ? ? ? . 1990 LYS B CG 1622 ATOM 1812 C CD . LYS B 1622 1990 . -23.646 35.172 8.390 1.00 90.97 ? ? ? ? ? . 1990 LYS B CD 1622 ATOM 1813 C CE . LYS B 1622 1990 . -24.815 36.137 8.576 1.00 95.65 ? ? ? ? ? . 1990 LYS B CE 1622 ATOM 1814 N NZ . LYS B 1622 1990 . -24.353 37.538 8.797 1.00 93.83 ? ? ? ? ? 1+ 1990 LYS B NZ 1622 ATOM 1815 N N . LYS B 1622 1991 . -25.149 30.461 9.707 1.00 53.15 ? ? ? ? ? . 1991 LYS B N 1622 ATOM 1816 C CA . LYS B 1622 1991 . -24.768 29.072 9.606 1.00 45.96 ? ? ? ? ? . 1991 LYS B CA 1622 ATOM 1817 C C . LYS B 1622 1991 . -23.618 28.973 8.612 1.00 36.97 ? ? ? ? ? . 1991 LYS B C 1622 ATOM 1818 O O . LYS B 1622 1991 . -23.367 29.862 7.804 1.00 43.98 ? ? ? ? ? . 1991 LYS B O 1622 ATOM 1819 C CB . LYS B 1622 1991 . -25.989 28.195 9.207 1.00 45.71 ? ? ? ? ? . 1991 LYS B CB 1622 ATOM 1820 C CG . LYS B 1622 1991 . -26.960 27.958 10.380 1.00 48.03 ? ? ? ? ? . 1991 LYS B CG 1622 ATOM 1821 C CD . LYS B 1622 1991 . -28.450 27.832 9.996 1.00 47.32 ? ? ? ? ? . 1991 LYS B CD 1622 ATOM 1822 C CE . LYS B 1622 1991 . -28.939 29.143 9.357 1.00 47.22 ? ? ? ? ? . 1991 LYS B CE 1622 ATOM 1823 N NZ . LYS B 1622 1991 . -30.404 29.223 9.116 1.00 46.49 ? ? ? ? ? 1+ 1991 LYS B NZ 1622 ATOM 1824 N N . ILE B 1622 1992 . -22.941 27.867 8.730 1.00 38.43 ? ? ? ? ? . 1992 ILE B N 1622 ATOM 1825 C CA . ILE B 1622 1992 . -21.886 27.475 7.856 1.00 38.48 ? ? ? ? ? . 1992 ILE B CA 1622 ATOM 1826 C C . ILE B 1622 1992 . -22.488 27.171 6.462 1.00 41.37 ? ? ? ? ? . 1992 ILE B C 1622 ATOM 1827 O O . ILE B 1622 1992 . -23.503 26.395 6.312 1.00 36.91 ? ? ? ? ? . 1992 ILE B O 1622 ATOM 1828 C CB . ILE B 1622 1992 . -21.207 26.281 8.458 1.00 37.79 ? ? ? ? ? . 1992 ILE B CB 1622 ATOM 1829 C CG1 . ILE B 1622 1992 . -20.406 26.728 9.708 1.00 44.67 ? ? ? ? ? . 1992 ILE B CG1 1622 ATOM 1830 C CG2 . ILE B 1622 1992 . -20.227 25.611 7.513 1.00 40.57 ? ? ? ? ? . 1992 ILE B CG2 1622 ATOM 1831 C CD1 . ILE B 1622 1992 . -19.808 25.572 10.441 1.00 45.34 ? ? ? ? ? . 1992 ILE B CD1 1622 ATOM 1832 N N . VAL B 1622 1993 . -21.931 27.865 5.476 1.00 35.94 ? ? ? ? ? . 1993 VAL B N 1622 ATOM 1833 C CA . VAL B 1622 1993 . -22.216 27.661 4.034 1.00 34.19 ? ? ? ? ? . 1993 VAL B CA 1622 ATOM 1834 C C . VAL B 1622 1993 . -20.901 27.263 3.403 1.00 39.20 ? ? ? ? ? . 1993 VAL B C 1622 ATOM 1835 O O . VAL B 1622 1993 . -19.930 27.984 3.576 1.00 35.66 ? ? ? ? ? . 1993 VAL B O 1622 ATOM 1836 C CB . VAL B 1622 1993 . -22.776 28.887 3.347 1.00 37.60 ? ? ? ? ? . 1993 VAL B CB 1622 ATOM 1837 C CG1 . VAL B 1622 1993 . -23.149 28.594 1.909 1.00 35.18 ? ? ? ? ? . 1993 VAL B CG1 1622 ATOM 1838 C CG2 . VAL B 1622 1993 . -24.004 29.423 4.084 1.00 43.83 ? ? ? ? ? . 1993 VAL B CG2 1622 ATOM 1839 N N . ILE B 1622 1994 . -20.854 26.144 2.679 1.00 33.72 ? ? ? ? ? . 1994 ILE B N 1622 ATOM 1840 C CA . ILE B 1622 1994 . -19.596 25.665 2.092 1.00 32.63 ? ? ? ? ? . 1994 ILE B CA 1622 ATOM 1841 C C . ILE B 1622 1994 . -19.769 25.436 0.617 1.00 33.27 ? ? ? ? ? . 1994 ILE B C 1622 ATOM 1842 O O . ILE B 1622 1994 . -20.908 25.260 0.113 1.00 32.56 ? ? ? ? ? . 1994 ILE B O 1622 ATOM 1843 C CB . ILE B 1622 1994 . -19.090 24.376 2.792 1.00 31.21 ? ? ? ? ? . 1994 ILE B CB 1622 ATOM 1844 C CG1 . ILE B 1622 1994 . -20.190 23.274 2.836 1.00 33.82 ? ? ? ? ? . 1994 ILE B CG1 1622 ATOM 1845 C CG2 . ILE B 1622 1994 . -18.673 24.706 4.198 1.00 36.15 ? ? ? ? ? . 1994 ILE B CG2 1622 ATOM 1846 C CD1 . ILE B 1622 1994 . -19.641 21.934 3.219 1.00 33.20 ? ? ? ? ? . 1994 ILE B CD1 1622 ATOM 1847 N N . MET B 1622 1995 . -18.656 25.431 -0.101 1.00 30.04 ? ? ? ? ? . 1995 MET B N 1622 ATOM 1848 C CA . MET B 1622 1995 . -18.583 25.127 -1.538 1.00 28.36 ? ? ? ? ? . 1995 MET B CA 1622 ATOM 1849 C C . MET B 1622 1995 . -17.319 24.338 -1.771 1.00 29.68 ? ? ? ? ? . 1995 MET B C 1622 ATOM 1850 O O . MET B 1622 1995 . -16.389 24.460 -0.974 1.00 31.72 ? ? ? ? ? . 1995 MET B O 1622 ATOM 1851 C CB . MET B 1622 1995 . -18.618 26.398 -2.396 1.00 32.95 ? ? ? ? ? . 1995 MET B CB 1622 ATOM 1852 C CG . MET B 1622 1995 . -17.409 27.257 -2.140 1.00 31.78 ? ? ? ? ? . 1995 MET B CG 1622 ATOM 1853 S SD . MET B 1622 1995 . -17.618 28.944 -2.833 1.00 36.94 ? ? ? ? ? . 1995 MET B SD 1622 ATOM 1854 C CE . MET B 1622 1995 . -17.606 28.585 -4.515 1.00 36.98 ? ? ? ? ? . 1995 MET B CE 1622 ATOM 1855 N N . PRO B 1622 1996 . -17.248 23.550 -2.872 1.00 30.71 ? ? ? ? ? . 1996 PRO B N 1622 ATOM 1856 C CA . PRO B 1622 1996 . -15.979 22.846 -3.161 1.00 28.51 ? ? ? ? ? . 1996 PRO B CA 1622 ATOM 1857 C C . PRO B 1622 1996 . -14.855 23.865 -3.401 1.00 30.25 ? ? ? ? ? . 1996 PRO B C 1622 ATOM 1858 O O . PRO B 1622 1996 . -15.118 24.920 -3.969 1.00 31.97 ? ? ? ? ? . 1996 PRO B O 1622 ATOM 1859 C CB . PRO B 1622 1996 . -16.270 22.137 -4.435 1.00 32.77 ? ? ? ? ? . 1996 PRO B CB 1622 ATOM 1860 C CG . PRO B 1622 1996 . -17.742 21.864 -4.325 1.00 31.74 ? ? ? ? ? . 1996 PRO B CG 1622 ATOM 1861 C CD . PRO B 1622 1996 . -18.272 23.161 -3.880 1.00 31.67 ? ? ? ? ? . 1996 PRO B CD 1622 ATOM 1862 N N . CYS B 1622 1997 . -13.648 23.550 -2.975 1.00 30.96 ? ? ? ? ? . 1997 CYS B N 1622 ATOM 1863 C CA . CYS B 1622 1997 . -12.497 24.411 -3.372 1.00 31.81 ? ? ? ? ? . 1997 CYS B CA 1622 ATOM 1864 C C . CYS B 1622 1997 . -12.203 24.318 -4.862 1.00 36.62 ? ? ? ? ? . 1997 CYS B C 1622 ATOM 1865 O O . CYS B 1622 1997 . -11.746 25.253 -5.424 1.00 34.88 ? ? ? ? ? . 1997 CYS B O 1622 ATOM 1866 C CB . CYS B 1622 1997 . -11.241 24.065 -2.604 1.00 32.24 ? ? ? ? ? . 1997 CYS B CB 1622 ATOM 1867 S SG . CYS B 1622 1997 . -11.310 24.378 -0.857 1.00 36.55 ? ? ? ? ? . 1997 CYS B SG 1622 ATOM 1868 N N . LYS B 1622 1998 . -12.413 23.163 -5.482 1.00 31.61 ? ? ? ? ? . 1998 LYS B N 1622 ATOM 1869 C CA . LYS B 1622 1998 . -12.116 22.990 -6.887 1.00 32.53 ? ? ? ? ? . 1998 LYS B CA 1622 ATOM 1870 C C . LYS B 1622 1998 . -13.335 23.217 -7.708 1.00 34.69 ? ? ? ? ? . 1998 LYS B C 1622 ATOM 1871 O O . LYS B 1622 1998 . -14.414 22.714 -7.352 1.00 35.65 ? ? ? ? ? . 1998 LYS B O 1622 ATOM 1872 C CB . LYS B 1622 1998 . -11.629 21.589 -7.099 1.00 38.25 ? ? ? ? ? . 1998 LYS B CB 1622 ATOM 1873 C CG . LYS B 1622 1998 . -11.173 21.307 -8.501 1.00 44.73 ? ? ? ? ? . 1998 LYS B CG 1622 ATOM 1874 C CD . LYS B 1622 1998 . -10.588 19.911 -8.661 1.00 53.76 ? ? ? ? ? . 1998 LYS B CD 1622 ATOM 1875 C CE . LYS B 1622 1998 . -10.127 19.785 -10.120 1.00 59.09 ? ? ? ? ? . 1998 LYS B CE 1622 ATOM 1876 N NZ . LYS B 1622 1998 . -9.831 18.381 -10.441 1.00 69.19 ? ? ? ? ? 1+ 1998 LYS B NZ 1622 ATOM 1877 N N . CYS B 1622 1999 . -13.131 23.875 -8.834 1.00 34.62 ? ? ? ? ? . 1999 CYS B N 1622 ATOM 1878 C CA . CYS B 1622 1999 . -14.177 24.147 -9.838 1.00 39.31 ? ? ? ? ? . 1999 CYS B CA 1622 ATOM 1879 C C . CYS B 1622 1999 . -14.455 22.922 -10.656 1.00 34.83 ? ? ? ? ? . 1999 CYS B C 1622 ATOM 1880 O O . CYS B 1622 1999 . -13.568 22.125 -10.963 1.00 35.62 ? ? ? ? ? . 1999 CYS B O 1622 ATOM 1881 C CB . CYS B 1622 1999 . -13.727 25.205 -10.924 1.00 44.64 ? ? ? ? ? . 1999 CYS B CB 1622 ATOM 1882 S SG . CYS B 1622 1999 . -13.462 26.818 -10.228 1.00 57.40 ? ? ? ? ? . 1999 CYS B SG 1622 ATOM 1883 N N . ALA B 1622 2000 . -15.656 22.906 -11.199 1.00 34.36 ? ? ? ? ? . 2000 ALA B N 1622 ATOM 1884 C CA . ALA B 1622 2000 . -16.000 21.912 -12.205 1.00 33.90 ? ? ? ? ? . 2000 ALA B CA 1622 ATOM 1885 C C . ALA B 1622 2000 . -15.126 22.133 -13.463 1.00 35.60 ? ? ? ? ? . 2000 ALA B C 1622 ATOM 1886 O O . ALA B 1622 2000 . -14.580 23.250 -13.693 1.00 35.29 ? ? ? ? ? . 2000 ALA B O 1622 ATOM 1887 C CB . ALA B 1622 2000 . -17.474 22.064 -12.587 1.00 36.77 ? ? ? ? ? . 2000 ALA B CB 1622 ATOM 1888 N N . PRO B 1622 2001 . -14.980 21.119 -14.283 1.00 38.98 ? ? ? ? ? . 2001 PRO B N 1622 ATOM 1889 C CA . PRO B 1622 2001 . -14.280 21.300 -15.584 1.00 41.40 ? ? ? ? ? . 2001 PRO B CA 1622 ATOM 1890 C C . PRO B 1622 2001 . -14.770 22.515 -16.362 1.00 37.35 ? ? ? ? ? . 2001 PRO B C 1622 ATOM 1891 O O . PRO B 1622 2001 . -15.990 22.802 -16.398 1.00 37.87 ? ? ? ? ? . 2001 PRO B O 1622 ATOM 1892 C CB . PRO B 1622 2001 . -14.647 20.036 -16.328 1.00 43.42 ? ? ? ? ? . 2001 PRO B CB 1622 ATOM 1893 C CG . PRO B 1622 2001 . -14.786 19.033 -15.242 1.00 44.29 ? ? ? ? ? . 2001 PRO B CG 1622 ATOM 1894 C CD . PRO B 1622 2001 . -15.552 19.741 -14.165 1.00 39.26 ? ? ? ? ? . 2001 PRO B CD 1622 ATOM 1895 N N . SER B 1622 2002 . -13.843 23.285 -16.945 1.00 39.59 ? ? ? ? ? . 2002 SER B N 1622 ATOM 1896 C CA . SER B 1622 2002 . -14.254 24.511 -17.688 1.00 42.66 ? ? ? ? ? . 2002 SER B CA 1622 ATOM 1897 C C . SER B 1622 2002 . -14.983 24.143 -18.977 1.00 38.40 ? ? ? ? ? . 2002 SER B C 1622 ATOM 1898 O O . SER B 1622 2002 . -14.823 23.032 -19.476 1.00 37.73 ? ? ? ? ? . 2002 SER B O 1622 ATOM 1899 C CB . SER B 1622 2002 . -13.054 25.370 -18.110 1.00 47.24 ? ? ? ? ? . 2002 SER B CB 1622 ATOM 1900 O OG . SER B 1622 2002 . -12.263 24.727 -19.118 1.00 40.82 ? ? ? ? ? . 2002 SER B OG 1622 ATOM 1901 N N . ARG B 1622 2003 . -15.777 25.085 -19.472 1.00 44.89 ? ? ? ? ? . 2003 ARG B N 1622 ATOM 1902 C CA . ARG B 1622 2003 . -16.552 24.926 -20.701 1.00 49.09 ? ? ? ? ? . 2003 ARG B CA 1622 ATOM 1903 C C . ARG B 1622 2003 . -15.581 24.625 -21.859 1.00 46.08 ? ? ? ? ? . 2003 ARG B C 1622 ATOM 1904 O O . ARG B 1622 2003 . -15.829 23.779 -22.675 1.00 39.57 ? ? ? ? ? . 2003 ARG B O 1622 ATOM 1905 C CB . ARG B 1622 2003 . -17.321 26.216 -20.990 1.00 48.04 ? ? ? ? ? . 2003 ARG B CB 1622 ATOM 1906 C CG . ARG B 1622 2003 . -18.148 26.248 -22.254 1.00 50.00 ? ? ? ? ? . 2003 ARG B CG 1622 ATOM 1907 C CD . ARG B 1622 2003 . -18.499 27.714 -22.524 1.00 58.85 ? ? ? ? ? . 2003 ARG B CD 1622 ATOM 1908 N NE . ARG B 1622 2003 . -19.321 28.293 -21.438 1.00 57.08 ? ? ? ? ? . 2003 ARG B NE 1622 ATOM 1909 C CZ . ARG B 1622 2003 . -20.655 28.185 -21.376 1.00 60.10 ? ? ? ? ? . 2003 ARG B CZ 1622 ATOM 1910 N NH1 . ARG B 1622 2003 . -21.325 27.502 -22.356 1.00 55.78 ? ? ? ? ? 1+ 2003 ARG B NH1 1622 ATOM 1911 N NH2 . ARG B 1622 2003 . -21.326 28.738 -20.337 1.00 46.57 ? ? ? ? ? . 2003 ARG B NH2 1622 ATOM 1912 N N . GLN B 1622 2004 . -14.460 25.314 -21.879 1.00 40.87 ? ? ? ? ? . 2004 GLN B N 1622 ATOM 1913 C CA . GLN B 1622 2004 . -13.512 25.111 -22.925 1.00 47.22 ? ? ? ? ? . 2004 GLN B CA 1622 ATOM 1914 C C . GLN B 1622 2004 . -12.910 23.722 -22.926 1.00 39.69 ? ? ? ? ? . 2004 GLN B C 1622 ATOM 1915 O O . GLN B 1622 2004 . -12.732 23.168 -23.992 1.00 38.50 ? ? ? ? ? . 2004 GLN B O 1622 ATOM 1916 C CB . GLN B 1622 2004 . -12.394 26.154 -22.890 1.00 51.83 ? ? ? ? ? . 2004 GLN B CB 1622 ATOM 1917 C CG . GLN B 1622 2004 . -11.608 26.046 -24.200 1.00 66.40 ? ? ? ? ? . 2004 GLN B CG 1622 ATOM 1918 C CD . GLN B 1622 2004 . -10.889 27.300 -24.561 1.00 72.45 ? ? ? ? ? . 2004 GLN B CD 1622 ATOM 1919 N NE2 . GLN B 1622 2004 . -10.607 27.484 -25.855 1.00 78.75 ? ? ? ? ? . 2004 GLN B NE2 1622 ATOM 1920 O OE1 . GLN B 1622 2004 . -10.581 28.101 -23.687 1.00 86.64 ? ? ? ? ? . 2004 GLN B OE1 1622 ATOM 1921 N N . LEU B 1622 2005 . -12.593 23.175 -21.756 1.00 36.64 ? ? ? ? ? . 2005 LEU B N 1622 ATOM 1922 C CA . LEU B 1622 2005 . -12.048 21.823 -21.654 1.00 38.33 ? ? ? ? ? . 2005 LEU B CA 1622 ATOM 1923 C C . LEU B 1622 2005 . -13.113 20.846 -22.217 1.00 38.87 ? ? ? ? ? . 2005 LEU B C 1622 ATOM 1924 O O . LEU B 1622 2005 . -12.802 19.921 -22.993 1.00 40.53 ? ? ? ? ? . 2005 LEU B O 1622 ATOM 1925 C CB . LEU B 1622 2005 . -11.722 21.475 -20.198 1.00 45.81 ? ? ? ? ? . 2005 LEU B CB 1622 ATOM 1926 C CG . LEU B 1622 2005 . -11.173 20.057 -19.917 1.00 50.01 ? ? ? ? ? . 2005 LEU B CG 1622 ATOM 1927 C CD1 . LEU B 1622 2005 . -9.872 19.772 -20.610 1.00 47.99 ? ? ? ? ? . 2005 LEU B CD1 1622 ATOM 1928 C CD2 . LEU B 1622 2005 . -10.948 19.847 -18.417 1.00 56.52 ? ? ? ? ? . 2005 LEU B CD2 1622 ATOM 1929 N N . VAL B 1622 2006 . -14.350 21.096 -21.890 1.00 36.98 ? ? ? ? ? . 2006 VAL B N 1622 ATOM 1930 C CA . VAL B 1622 2006 . -15.413 20.212 -22.382 1.00 40.52 ? ? ? ? ? . 2006 VAL B CA 1622 ATOM 1931 C C . VAL B 1622 2006 . -15.563 20.382 -23.917 1.00 38.88 ? ? ? ? ? . 2006 VAL B C 1622 ATOM 1932 O O . VAL B 1622 2006 . -15.725 19.400 -24.570 1.00 41.38 ? ? ? ? ? . 2006 VAL B O 1622 ATOM 1933 C CB . VAL B 1622 2006 . -16.725 20.476 -21.627 1.00 38.27 ? ? ? ? ? . 2006 VAL B CB 1622 ATOM 1934 C CG1 . VAL B 1622 2006 . -17.844 19.688 -22.227 1.00 40.27 ? ? ? ? ? . 2006 VAL B CG1 1622 ATOM 1935 C CG2 . VAL B 1622 2006 . -16.581 20.091 -20.180 1.00 36.75 ? ? ? ? ? . 2006 VAL B CG2 1622 ATOM 1936 N N . GLN B 1622 2007 . -15.548 21.645 -24.427 1.00 41.35 ? ? ? ? ? . 2007 GLN B N 1622 ATOM 1937 C CA A GLN B 1622 2007 . -15.622 21.961 -25.875 0.50 40.82 ? ? ? ? ? . 2007 GLN B CA 1622 ATOM 1938 C CA B GLN B 1622 2007 . -15.656 21.897 -25.882 0.50 42.59 ? ? ? ? ? . 2007 GLN B CA 1622 ATOM 1939 C C . GLN B 1622 2007 . -14.542 21.154 -26.615 1.00 47.98 ? ? ? ? ? . 2007 GLN B C 1622 ATOM 1940 O O . GLN B 1622 2007 . -14.823 20.426 -27.584 1.00 45.74 ? ? ? ? ? . 2007 GLN B O 1622 ATOM 1941 C CB A GLN B 1622 2007 . -15.494 23.504 -26.131 0.50 43.49 ? ? ? ? ? . 2007 GLN B CB 1622 ATOM 1942 C CB B GLN B 1622 2007 . -15.653 23.399 -26.224 0.50 47.25 ? ? ? ? ? . 2007 GLN B CB 1622 ATOM 1943 C CG A GLN B 1622 2007 . -16.783 24.320 -25.864 0.50 44.02 ? ? ? ? ? . 2007 GLN B CG 1622 ATOM 1944 C CG B GLN B 1622 2007 . -16.162 23.750 -27.630 0.50 49.69 ? ? ? ? ? . 2007 GLN B CG 1622 ATOM 1945 C CD A GLN B 1622 2007 . -16.647 25.867 -25.843 0.50 46.98 ? ? ? ? ? . 2007 GLN B CD 1622 ATOM 1946 C CD B GLN B 1622 2007 . -17.677 23.556 -27.803 0.50 53.09 ? ? ? ? ? . 2007 GLN B CD 1622 ATOM 1947 N NE2 A GLN B 1622 2007 . -15.442 26.362 -25.701 0.50 38.96 ? ? ? ? ? . 2007 GLN B NE2 1622 ATOM 1948 O OE1 A GLN B 1622 2007 . -17.652 26.588 -25.913 0.50 48.81 ? ? ? ? ? . 2007 GLN B OE1 1622 ATOM 1949 N NE2 B GLN B 1622 2007 . -18.459 24.561 -27.424 0.50 54.24 ? ? ? ? ? . 2007 GLN B NE2 1622 ATOM 1950 O OE1 B GLN B 1622 2007 . -18.126 22.519 -28.272 0.50 52.68 ? ? ? ? ? . 2007 GLN B OE1 1622 ATOM 1951 N N . VAL B 1622 2008 . -13.295 21.259 -26.123 1.00 41.12 ? ? ? ? ? . 2008 VAL B N 1622 ATOM 1952 C CA . VAL B 1622 2008 . -12.205 20.519 -26.726 1.00 44.29 ? ? ? ? ? . 2008 VAL B CA 1622 ATOM 1953 C C . VAL B 1622 2008 . -12.459 18.993 -26.784 1.00 45.84 ? ? ? ? ? . 2008 VAL B C 1622 ATOM 1954 O O . VAL B 1622 2008 . -12.240 18.369 -27.841 1.00 44.45 ? ? ? ? ? . 2008 VAL B O 1622 ATOM 1955 C CB . VAL B 1622 2008 . -10.872 20.807 -26.030 1.00 42.99 ? ? ? ? ? . 2008 VAL B CB 1622 ATOM 1956 C CG1 . VAL B 1622 2008 . -9.833 19.801 -26.461 1.00 45.03 ? ? ? ? ? . 2008 VAL B CG1 1622 ATOM 1957 C CG2 . VAL B 1622 2008 . -10.491 22.247 -26.283 1.00 45.10 ? ? ? ? ? . 2008 VAL B CG2 1622 ATOM 1958 N N . TRP B 1622 2009 . -12.905 18.397 -25.676 1.00 42.29 ? ? ? ? ? . 2009 TRP B N 1622 ATOM 1959 C CA . TRP B 1622 2009 . -13.261 16.970 -25.633 1.00 39.36 ? ? ? ? ? . 2009 TRP B CA 1622 ATOM 1960 C C . TRP B 1622 2009 . -14.357 16.598 -26.646 1.00 42.33 ? ? ? ? ? . 2009 TRP B C 1622 ATOM 1961 O O . TRP B 1622 2009 . -14.342 15.536 -27.257 1.00 45.60 ? ? ? ? ? . 2009 TRP B O 1622 ATOM 1962 C CB . TRP B 1622 2009 . -13.789 16.633 -24.243 1.00 44.75 ? ? ? ? ? . 2009 TRP B CB 1622 ATOM 1963 C CG . TRP B 1622 2009 . -14.137 15.205 -24.013 1.00 39.66 ? ? ? ? ? . 2009 TRP B CG 1622 ATOM 1964 C CD1 . TRP B 1622 2009 . -13.276 14.216 -23.647 1.00 46.54 ? ? ? ? ? . 2009 TRP B CD1 1622 ATOM 1965 C CD2 . TRP B 1622 2009 . -15.435 14.578 -24.119 1.00 43.06 ? ? ? ? ? . 2009 TRP B CD2 1622 ATOM 1966 C CE2 . TRP B 1622 2009 . -15.267 13.227 -23.810 1.00 40.42 ? ? ? ? ? . 2009 TRP B CE2 1622 ATOM 1967 C CE3 . TRP B 1622 2009 . -16.697 15.026 -24.463 1.00 40.94 ? ? ? ? ? . 2009 TRP B CE3 1622 ATOM 1968 N NE1 . TRP B 1622 2009 . -13.943 13.032 -23.524 1.00 41.44 ? ? ? ? ? . 2009 TRP B NE1 1622 ATOM 1969 C CZ2 . TRP B 1622 2009 . -16.309 12.316 -23.849 1.00 40.82 ? ? ? ? ? . 2009 TRP B CZ2 1622 ATOM 1970 C CZ3 . TRP B 1622 2009 . -17.742 14.118 -24.444 1.00 44.07 ? ? ? ? ? . 2009 TRP B CZ3 1622 ATOM 1971 C CH2 . TRP B 1622 2009 . -17.540 12.797 -24.147 1.00 40.35 ? ? ? ? ? . 2009 TRP B CH2 1622 ATOM 1972 N N . LEU B 1622 2010 . -15.323 17.492 -26.787 1.00 43.94 ? ? ? ? ? . 2010 LEU B N 1622 ATOM 1973 C CA . LEU B 1622 2010 . -16.428 17.239 -27.699 1.00 48.74 ? ? ? ? ? . 2010 LEU B CA 1622 ATOM 1974 C C . LEU B 1622 2010 . -15.950 17.243 -29.162 1.00 54.13 ? ? ? ? ? . 2010 LEU B C 1622 ATOM 1975 O O . LEU B 1622 2010 . -16.261 16.313 -29.961 1.00 51.58 ? ? ? ? ? . 2010 LEU B O 1622 ATOM 1976 C CB . LEU B 1622 2010 . -17.491 18.310 -27.490 1.00 46.34 ? ? ? ? ? . 2010 LEU B CB 1622 ATOM 1977 C CG . LEU B 1622 2010 . -18.797 18.147 -28.271 1.00 51.06 ? ? ? ? ? . 2010 LEU B CG 1622 ATOM 1978 C CD1 . LEU B 1622 2010 . -19.500 16.801 -28.010 1.00 49.40 ? ? ? ? ? . 2010 LEU B CD1 1622 ATOM 1979 C CD2 . LEU B 1622 2010 . -19.667 19.341 -27.969 1.00 47.82 ? ? ? ? ? . 2010 LEU B CD2 1622 ATOM 1980 N N . GLN B 1622 2011 . -15.164 18.262 -29.475 1.00 51.05 ? ? ? ? ? . 2011 GLN B N 1622 ATOM 1981 C CA . GLN B 1622 2011 . -14.723 18.500 -30.827 1.00 56.30 ? ? ? ? ? . 2011 GLN B CA 1622 ATOM 1982 C C . GLN B 1622 2011 . -13.778 17.402 -31.244 1.00 60.56 ? ? ? ? ? . 2011 GLN B C 1622 ATOM 1983 O O . GLN B 1622 2011 . -13.795 16.975 -32.400 1.00 61.57 ? ? ? ? ? . 2011 GLN B O 1622 ATOM 1984 C CB . GLN B 1622 2011 . -14.208 19.939 -31.029 1.00 63.76 ? ? ? ? ? . 2011 GLN B CB 1622 ATOM 1985 C CG . GLN B 1622 2011 . -12.807 20.072 -31.616 1.00 79.40 ? ? ? ? ? . 2011 GLN B CG 1622 ATOM 1986 C CD . GLN B 1622 2011 . -11.789 20.289 -30.516 1.00 86.19 ? ? ? ? ? . 2011 GLN B CD 1622 ATOM 1987 N NE2 . GLN B 1622 2011 . -10.835 19.349 -30.326 1.00 71.90 ? ? ? ? ? . 2011 GLN B NE2 1622 ATOM 1988 O OE1 . GLN B 1622 2011 . -11.873 21.309 -29.826 1.00 99.35 ? ? ? ? ? . 2011 GLN B OE1 1622 ATOM 1989 N N . ALA B 1622 2012 . -12.953 16.942 -30.310 1.00 55.00 ? ? ? ? ? . 2012 ALA B N 1622 ATOM 1990 C CA . ALA B 1622 2012 . -11.993 15.881 -30.591 1.00 62.46 ? ? ? ? ? . 2012 ALA B CA 1622 ATOM 1991 C C . ALA B 1622 2012 . -12.701 14.578 -30.947 1.00 66.02 ? ? ? ? ? . 2012 ALA B C 1622 ATOM 1992 O O . ALA B 1622 2012 . -12.058 13.562 -31.210 1.00 63.68 ? ? ? ? ? . 2012 ALA B O 1622 ATOM 1993 C CB . ALA B 1622 2012 . -11.067 15.675 -29.402 1.00 57.05 ? ? ? ? ? . 2012 ALA B CB 1622 ATOM 1994 N N . LYS B 1622 2013 . -14.030 14.615 -30.955 1.00 78.87 ? ? ? ? ? . 2013 LYS B N 1622 ATOM 1995 C CA . LYS B 1622 2013 . -14.828 13.439 -31.279 1.00 86.29 ? ? ? ? ? . 2013 LYS B CA 1622 ATOM 1996 C C . LYS B 1622 2013 . -14.671 12.357 -30.216 1.00 85.38 ? ? ? ? ? . 2013 LYS B C 1622 ATOM 1997 O O . LYS B 1622 2013 . -13.783 12.430 -29.368 1.00 77.37 ? ? ? ? ? . 2013 LYS B O 1622 ATOM 1998 C CB . LYS B 1622 2013 . -14.437 12.888 -32.652 1.00 89.61 ? ? ? ? ? . 2013 LYS B CB 1622 ATOM 1999 C CG . LYS B 1622 2013 . -14.722 13.837 -33.805 1.00 86.19 ? ? ? ? ? . 2013 LYS B CG 1622 ATOM 2000 C CD . LYS B 1622 2013 . -16.215 14.071 -33.972 1.00 85.51 ? ? ? ? ? . 2013 LYS B CD 1622 ATOM 2001 C CE . LYS B 1622 2013 . -16.496 15.071 -35.081 1.00 85.77 ? ? ? ? ? . 2013 LYS B CE 1622 ATOM 2002 N NZ . LYS B 1622 2013 . -16.754 16.436 -34.545 1.00 77.41 ? ? ? ? ? 1+ 2013 LYS B NZ 1622 ATOM 2003 N N . GLU B 1622 2014 . -15.540 11.352 -30.269 1.00 0.00 ? ? ? ? ? . 2014 GLU B N 1622 ATOM 2004 C CA . GLU B 1622 2014 . -15.500 10.254 -29.312 1.00 0.00 ? ? ? ? ? . 2014 GLU B CA 1622 ATOM 2005 C C . GLU B 1622 2014 . -16.373 9.096 -29.783 1.00 0.00 ? ? ? ? ? . 2014 GLU B C 1622 ATOM 2006 O O . GLU B 1622 2014 . -17.489 9.301 -30.261 1.00 0.00 ? ? ? ? ? . 2014 GLU B O 1622 ATOM 2007 C CB . GLU B 1622 2014 . -15.967 10.731 -27.936 1.00 0.00 ? ? ? ? ? . 2014 GLU B CB 1622 ATOM 2008 C CG . GLU B 1622 2014 . -15.332 9.983 -26.775 1.00 0.00 ? ? ? ? ? . 2014 GLU B CG 1622 ATOM 2009 C CD . GLU B 1622 2014 . -15.227 10.832 -25.523 1.00 0.00 ? ? ? ? ? . 2014 GLU B CD 1622 ATOM 2010 O OE1 . GLU B 1622 2014 . -15.567 12.032 -25.586 1.00 0.00 ? ? ? ? ? . 2014 GLU B OE1 1622 ATOM 2011 O OE2 . GLU B 1622 2014 . -14.804 10.299 -24.476 1.00 0.00 ? ? ? ? ? 1- 2014 GLU B OE2 1622 ATOM 2012 H H . GLU B 1622 2014 . -16.167 11.284 -30.854 1.00 0.00 ? ? ? ? ? . 2014 GLU B H 1622 ATOM 2013 H HA . GLU B 1622 2014 . -14.579 9.930 -29.229 1.00 0.00 ? ? ? ? ? . 2014 GLU B HA 1622 ATOM 2014 H HB2 . GLU B 1622 2014 . -16.928 10.613 -27.874 1.00 0.00 ? ? ? ? ? . 2014 GLU B HB2 1622 ATOM 2015 H HB3 . GLU B 1622 2014 . -15.745 11.670 -27.840 1.00 0.00 ? ? ? ? ? . 2014 GLU B HB3 1622 ATOM 2016 H HG2 . GLU B 1622 2014 . -14.437 9.707 -27.027 1.00 0.00 ? ? ? ? ? . 2014 GLU B HG2 1622 ATOM 2017 H HG3 . GLU B 1622 2014 . -15.873 9.206 -26.566 1.00 0.00 ? ? ? ? ? . 2014 GLU B HG3 1622 #