!BIOSYM archive 3 PBC=OFF !DATE Sat Apr 20 14:35:41 2002 N 35.547000000 36.373000000 46.298000000 ARG 1 n N -0.500 HN 35.397000000 35.598000000 46.974000000 ARG 1 hn H 0.280 CA 35.923000000 36.097000000 44.871000000 ARG 1 ca C 0.120 HA 36.929000000 36.512000000 44.725000000 ARG 1 h H 0.100 C 34.955000000 36.807000000 43.844000000 ARG 1 c' C 0.380 O 33.760000000 36.986000000 44.096000000 ARG 1 o' O -0.380 CB 36.084000000 34.551000000 44.676000000 ARG 1 c2 C -0.200 HB1 35.125000000 34.122000000 44.354000000 ARG 1 h H 0.110 HG1 36.500000000 32.597000000 45.592000000 ARG 1 h H 0.130 HG2 36.019000000 33.818000000 46.761000000 ARG 1 h H 0.130 CG 36.640000000 33.673000000 45.848000000 ARG 1 c2 C -0.200 HD1 38.302000000 35.054000000 46.292000000 ARG 1 h H 0.130 CD 38.116000000 33.964000000 46.152000000 ARG 1 c2 C -0.160 HD2 38.431000000 33.481000000 47.108000000 ARG 1 h H 0.130 NE 38.960000000 33.411000000 45.043000000 ARG 1 n N -0.560 CZ 39.594000000 34.134000000 44.119000000 ARG 1 cr C 0.380 HB2 36.746000000 34.441000000 43.786000000 ARG 1 h H 0.110 NH1 39.396000000 35.423000000 43.934000000 ARG 1 n2 N -0.560 HH12 38.771000000 35.847000000 44.617000000 ARG 1 hn H 0.280 HH11 39.866000000 35.844000000 43.115000000 ARG 1 hn H 0.280 NH2 40.449000000 33.539000000 43.358000000 ARG 1 n2 N -0.560 HH21 40.398000000 32.522000000 43.472000000 ARG 1 hn H 0.280 HH22 41.083000000 34.126000000 42.773000000 ARG 1 hn H 0.280 N 35.500000000 37.283000000 42.688000000 GLY 2 n N -0.500 HN 36.520000000 37.147000000 42.667000000 GLY 2 hn H 0.280 CA 34.748000000 38.056000000 41.655000000 GLY 2 cg C 0.020 HA1 35.450000000 38.868000000 41.274000000 GLY 2 h H 0.100 HA2 34.579000000 37.428000000 40.763000000 GLY 2 h H 0.100 C 33.402000000 38.735000000 42.015000000 GLY 2 c' C 0.380 O 32.394000000 38.538000000 41.289000000 GLY 2 o' O -0.380 N 33.300000000 39.504000000 43.119000000 ASP 3 n N -0.500 HN 34.182000000 39.444000000 43.691000000 ASP 3 hn H 0.280 CA 32.044000000 40.115000000 43.656000000 ASP 3 ca C 0.120 HA 32.398000000 40.666000000 44.545000000 ASP 3 h H 0.100 C 30.931000000 39.158000000 44.333000000 ASP 3 c' C 0.380 O 29.765000000 39.480000000 44.445000000 ASP 3 o' O -0.380 CB 31.493000000 41.264000000 42.754000000 ASP 3 c2 C -0.200 HB1 31.391000000 42.202000000 43.366000000 ASP 3 h H 0.100 HB2 32.207000000 41.532000000 41.967000000 ASP 3 h H 0.100 CG 30.088000000 41.096000000 42.115000000 ASP 3 c' C 0.380 OD1 29.280000000 42.021000000 41.967000000 ASP 3 o' O -0.350 OD2 29.835000000 39.809000000 41.717000000 ASP 3 oh O -0.380 HD2 28.905000000 39.822000000 41.389000000 ASP 3 ho H 0.350 C6 30.979000000 37.534000000 47.343000000 SAA 4 c1 C 0.050 H6 30.227000000 37.143000000 47.938000000 SAA 4 h H 0.100 O 32.249000000 36.953000000 47.695000000 SAA 4 o O -0.300 C3 33.062000000 37.906000000 48.368000000 SAA 4 c1 C 0.050 C2 34.597000000 37.610000000 48.195000000 SAA 4 c2 C -0.200 H21 34.877000000 36.785000000 48.801000000 SAA 4 h H 0.100 C1 35.118000000 37.557000000 46.747000000 SAA 4 c' C 0.380 O221 35.258000000 38.611000000 46.063000000 SAA 4 o' O -0.380 H22 35.139000000 38.500000000 48.669000000 SAA 4 h H 0.100 H3 32.795000000 37.889000000 49.418000000 SAA 4 h H 0.100 C4 32.620000000 39.284000000 47.777000000 SAA 4 c1 C -0.070 H4 33.154000000 39.488000000 46.858000000 SAA 4 h H 0.100 O4 32.922000000 40.332000000 48.730000000 SAA 4 oh O -0.380 HO4 32.612000000 41.176000000 48.303000000 SAA 4 ho H 0.350 C5 31.120000000 39.098000000 47.545000000 SAA 4 c1 C -0.070 H5 30.799000000 39.650000000 46.655000000 SAA 4 h H 0.100 O5 30.372000000 39.527000000 48.692000000 SAA 4 oh O -0.380 HO5 31.008000000 39.485000000 49.421000000 SAA 4 ho H 0.350 C7 30.608000000 37.156000000 45.826000000 SAA 4 c2 C 0.020 H71 29.538000000 37.433000000 45.706000000 SAA 4 h H 0.100 N 31.441000000 38.002000000 44.851000000 SAA 4 n N -0.500 HN 32.263000000 37.661000000 44.447000000 SAA 4 hn H 0.280 H72 30.783000000 36.174000000 45.667000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 34.946000000 35.542000000 44.812000000 ARG 1 n N -0.500 HN 35.796000000 35.177000000 44.482000000 ARG 1 hn H 0.280 CA 34.415000000 36.913000000 44.417000000 ARG 1 ca C 0.120 HA 33.576000000 37.099000000 45.071000000 ARG 1 h H 0.100 C 33.933000000 36.963000000 42.912000000 ARG 1 c' C 0.380 O 34.474000000 36.304000000 42.010000000 ARG 1 o' O -0.380 CB 35.500000000 37.974000000 44.815000000 ARG 1 c2 C -0.200 HB1 35.404000000 38.198000000 45.903000000 ARG 1 h H 0.110 HG1 34.838000000 39.266000000 43.149000000 ARG 1 h H 0.130 HG2 36.454000000 39.639000000 43.717000000 ARG 1 h H 0.130 CG 35.467000000 39.361000000 44.085000000 ARG 1 c2 C -0.200 HD1 33.827000000 40.405000000 45.149000000 ARG 1 h H 0.130 CD 34.917000000 40.472000000 45.005000000 ARG 1 c2 C -0.160 HD2 35.392000000 40.429000000 46.001000000 ARG 1 h H 0.130 NE 35.241000000 41.819000000 44.408000000 ARG 1 n N -0.560 CZ 34.555000000 42.949000000 44.669000000 ARG 1 cr C 0.380 HB2 36.505000000 37.548000000 44.698000000 ARG 1 h H 0.110 NH1 33.632000000 43.048000000 45.574000000 ARG 1 n2 N -0.560 HH12 33.541000000 42.206000000 46.167000000 ARG 1 hn H 0.280 HH11 33.123000000 43.955000000 45.626000000 ARG 1 hn H 0.280 NH2 34.839000000 43.998000000 43.952000000 ARG 1 n2 N -0.560 HH21 35.673000000 43.823000000 43.366000000 ARG 1 hn H 0.280 HH22 34.264000000 44.810000000 44.049000000 ARG 1 hn H 0.280 N 32.832000000 37.738000000 42.631000000 GLY 2 n N -0.500 HN 32.469000000 38.217000000 43.482000000 GLY 2 hn H 0.280 CA 32.211000000 37.744000000 41.274000000 GLY 2 cg C 0.020 HA1 31.308000000 38.381000000 41.253000000 GLY 2 h H 0.100 HA2 32.886000000 38.234000000 40.539000000 GLY 2 h H 0.100 C 31.800000000 36.349000000 40.685000000 GLY 2 c' C 0.380 O 32.370000000 35.878000000 39.702000000 GLY 2 o' O -0.380 N 30.764000000 35.715000000 41.333000000 ASP 3 n N -0.500 HN 30.654000000 36.035000000 42.282000000 ASP 3 hn H 0.280 CA 30.025000000 34.529000000 40.718000000 ASP 3 ca C 0.120 HA 29.150000000 34.419000000 41.408000000 ASP 3 h H 0.100 C 30.653000000 33.099000000 40.772000000 ASP 3 c' C 0.380 O 30.352000000 32.198000000 39.982000000 ASP 3 o' O -0.380 CB 29.340000000 34.989000000 39.373000000 ASP 3 c2 C -0.200 HB1 30.009000000 35.759000000 38.923000000 ASP 3 h H 0.100 HB2 29.312000000 34.175000000 38.655000000 ASP 3 h H 0.100 CG 27.957000000 35.676000000 39.463000000 ASP 3 c' C 0.380 OD1 26.979000000 35.243000000 40.048000000 ASP 3 o' O -0.350 OD2 27.961000000 36.914000000 38.816000000 ASP 3 oh O -0.380 HD2 27.041000000 37.124000000 38.667000000 ASP 3 ho H 0.350 C6 33.194000000 31.238000000 43.005000000 SAA 4 c1 C 0.050 H6 33.676000000 30.301000000 42.805000000 SAA 4 h H 0.100 O 34.172000000 32.150000000 43.557000000 SAA 4 o O -0.300 C3 34.124000000 32.011000000 45.011000000 SAA 4 c1 C 0.050 C2 34.777000000 33.254000000 45.699000000 SAA 4 c2 C -0.200 H21 35.814000000 33.266000000 45.565000000 SAA 4 h H 0.100 C1 34.117000000 34.631000000 45.366000000 SAA 4 c' C 0.380 O221 32.960000000 34.871000000 45.736000000 SAA 4 o' O -0.380 H22 34.578000000 33.103000000 46.827000000 SAA 4 h H 0.100 H3 34.669000000 31.120000000 45.226000000 SAA 4 h H 0.100 C4 32.616000000 31.832000000 45.306000000 SAA 4 c1 C -0.070 H4 32.163000000 32.859000000 45.383000000 SAA 4 h H 0.100 O4 32.406000000 31.167000000 46.575000000 SAA 4 oh O -0.380 HO4 31.470000000 31.081000000 46.688000000 SAA 4 ho H 0.350 C5 32.091000000 31.067000000 44.116000000 SAA 4 c1 C -0.070 H5 31.121000000 31.416000000 43.743000000 SAA 4 h H 0.100 O5 31.937000000 29.665000000 44.410000000 SAA 4 oh O -0.380 HO5 32.496000000 29.543000000 45.220000000 SAA 4 ho H 0.350 C7 32.632000000 31.772000000 41.625000000 SAA 4 c2 C 0.020 H71 32.214000000 30.952000000 41.024000000 SAA 4 h H 0.100 N 31.541000000 32.818000000 41.790000000 SAA 4 n N -0.500 HN 31.565000000 33.505000000 42.524000000 SAA 4 hn H 0.280 H72 33.404000000 32.283000000 41.090000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 33.148000000 36.120000000 47.087000000 ARG 1 n N -0.500 HN 33.207000000 36.186000000 48.104000000 ARG 1 hn H 0.280 CA 32.177000000 36.936000000 46.294000000 ARG 1 ca C 0.120 HA 31.845000000 36.253000000 45.451000000 ARG 1 h H 0.100 C 32.785000000 38.196000000 45.614000000 ARG 1 c' C 0.380 O 33.418000000 39.054000000 46.263000000 ARG 1 o' O -0.380 CB 30.900000000 37.160000000 47.181000000 ARG 1 c2 C -0.200 HB1 30.008000000 36.754000000 46.680000000 ARG 1 h H 0.110 HG1 31.534000000 39.004000000 48.186000000 ARG 1 h H 0.130 HG2 29.872000000 38.580000000 48.565000000 ARG 1 h H 0.130 CG 30.593000000 38.587000000 47.723000000 ARG 1 c2 C -0.200 HD1 29.634000000 39.056000000 45.781000000 ARG 1 h H 0.130 CD 30.096000000 39.557000000 46.635000000 ARG 1 c2 C -0.160 HD2 29.306000000 40.258000000 47.046000000 ARG 1 h H 0.130 NE 31.212000000 40.402000000 46.129000000 ARG 1 n N -0.560 CZ 31.636000000 41.537000000 46.666000000 ARG 1 cr C 0.380 HB2 31.017000000 36.454000000 48.051000000 ARG 1 h H 0.110 NH1 31.039000000 42.159000000 47.662000000 ARG 1 n2 N -0.560 HH12 30.222000000 41.679000000 48.020000000 ARG 1 hn H 0.280 HH11 31.540000000 43.005000000 48.014000000 ARG 1 hn H 0.280 NH2 32.732000000 42.082000000 46.204000000 ARG 1 n2 N -0.560 HH21 32.989000000 41.620000000 45.303000000 ARG 1 hn H 0.280 HH22 33.128000000 42.869000000 46.684000000 ARG 1 hn H 0.280 N 32.612000000 38.319000000 44.263000000 GLY 2 n N -0.500 HN 32.060000000 37.593000000 43.838000000 GLY 2 hn H 0.280 CA 33.263000000 39.445000000 43.497000000 GLY 2 cg C 0.020 HA1 33.056000000 39.287000000 42.426000000 GLY 2 h H 0.100 HA2 32.775000000 40.416000000 43.716000000 GLY 2 h H 0.100 C 34.812000000 39.658000000 43.701000000 GLY 2 c' C 0.380 O 35.223000000 40.757000000 44.112000000 GLY 2 o' O -0.380 N 35.644000000 38.622000000 43.402000000 ASP 3 n N -0.500 HN 35.109000000 37.725000000 43.321000000 ASP 3 hn H 0.280 CA 37.146000000 38.690000000 43.469000000 ASP 3 ca C 0.120 HA 37.405000000 37.670000000 43.090000000 ASP 3 h H 0.100 C 37.863000000 38.693000000 44.889000000 ASP 3 c' C 0.380 O 39.071000000 38.945000000 45.024000000 ASP 3 o' O -0.380 CB 37.750000000 39.636000000 42.373000000 ASP 3 c2 C -0.200 HB1 38.669000000 39.176000000 41.977000000 ASP 3 h H 0.100 HB2 37.066000000 39.686000000 41.503000000 ASP 3 h H 0.100 CG 38.136000000 41.080000000 42.786000000 ASP 3 c' C 0.380 OD1 37.353000000 41.910000000 43.266000000 ASP 3 o' O -0.350 OD2 39.451000000 41.351000000 42.552000000 ASP 3 oh O -0.380 HD2 39.558000000 42.330000000 42.585000000 ASP 3 ho H 0.350 C6 37.883000000 36.876000000 47.924000000 SAA 4 c1 C 0.050 H6 38.477000000 36.932000000 48.787000000 SAA 4 h H 0.100 O 36.613000000 36.306000000 48.272000000 SAA 4 o O -0.300 C3 36.490000000 34.972000000 47.759000000 SAA 4 c1 C 0.050 C2 35.009000000 34.554000000 47.502000000 SAA 4 c2 C -0.200 H21 34.513000000 34.341000000 48.452000000 SAA 4 h H 0.100 C1 34.178000000 35.445000000 46.554000000 SAA 4 c' C 0.380 O221 34.362000000 35.378000000 45.318000000 SAA 4 o' O -0.380 H22 35.048000000 33.541000000 47.002000000 SAA 4 h H 0.100 H3 36.951000000 34.303000000 48.484000000 SAA 4 h H 0.100 C4 37.399000000 34.946000000 46.491000000 SAA 4 c1 C -0.070 H4 36.829000000 35.306000000 45.620000000 SAA 4 h H 0.100 O4 37.879000000 33.605000000 46.235000000 SAA 4 oh O -0.380 HO4 38.405000000 33.647000000 45.438000000 SAA 4 ho H 0.350 C5 38.531000000 35.918000000 46.837000000 SAA 4 c1 C -0.070 H5 38.843000000 36.493000000 45.944000000 SAA 4 h H 0.100 O5 39.640000000 35.262000000 47.401000000 SAA 4 oh O -0.380 HO5 39.275000000 34.407000000 47.724000000 SAA 4 ho H 0.350 C7 37.707000000 38.360000000 47.369000000 SAA 4 c2 C 0.020 H71 38.732000000 38.803000000 47.384000000 SAA 4 h H 0.100 N 37.115000000 38.376000000 45.991000000 SAA 4 n N -0.500 HN 36.109000000 38.429000000 45.813000000 SAA 4 hn H 0.280 H72 37.107000000 38.896000000 48.030000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 30.848000000 34.874000000 39.998000000 ARG 1 n N -0.500 HN 31.353000000 35.151000000 40.827000000 ARG 1 hn H 0.280 CA 31.523000000 34.621000000 38.672000000 ARG 1 ca C 0.120 HA 30.737000000 34.511000000 37.959000000 ARG 1 h H 0.100 C 32.431000000 33.335000000 38.692000000 ARG 1 c' C 0.380 O 33.396000000 33.209000000 39.415000000 ARG 1 o' O -0.380 CB 32.290000000 35.951000000 38.274000000 ARG 1 c2 C -0.200 HB1 32.719000000 36.394000000 39.147000000 ARG 1 h H 0.110 HG1 30.469000000 36.924000000 37.506000000 ARG 1 h H 0.130 HG2 31.723000000 36.794000000 36.308000000 ARG 1 h H 0.130 CG 31.578000000 37.011000000 37.404000000 ARG 1 c2 C -0.200 HD1 32.897000000 38.709000000 36.999000000 ARG 1 h H 0.130 CD 32.030000000 38.467000000 37.671000000 ARG 1 c2 C -0.160 HD2 31.234000000 39.197000000 37.448000000 ARG 1 h H 0.130 NE 32.446000000 38.634000000 39.084000000 ARG 1 n N -0.560 CZ 33.047000000 39.705000000 39.608000000 ARG 1 cr C 0.380 HB2 33.221000000 35.581000000 37.700000000 ARG 1 h H 0.110 NH1 33.313000000 40.814000000 38.928000000 ARG 1 n2 N -0.560 HH12 33.034000000 40.748000000 37.943000000 ARG 1 hn H 0.280 HH11 33.729000000 41.586000000 39.461000000 ARG 1 hn H 0.280 NH2 33.356000000 39.661000000 40.854000000 ARG 1 n2 N -0.560 HH21 33.051000000 38.800000000 41.315000000 ARG 1 hn H 0.280 HH22 33.891000000 40.464000000 41.249000000 ARG 1 hn H 0.280 N 32.078000000 32.342000000 37.786000000 GLY 2 n N -0.500 HN 31.549000000 32.722000000 37.005000000 GLY 2 hn H 0.280 CA 32.414000000 30.910000000 38.069000000 GLY 2 cg C 0.020 HA1 32.367000000 30.347000000 37.097000000 GLY 2 h H 0.100 HA2 33.485000000 30.826000000 38.351000000 GLY 2 h H 0.100 C 31.573000000 30.126000000 39.105000000 GLY 2 c' C 0.380 O 32.101000000 29.571000000 40.061000000 GLY 2 o' O -0.380 N 30.211000000 30.065000000 38.912000000 ASP 3 n N -0.500 HN 29.882000000 30.902000000 38.396000000 ASP 3 hn H 0.280 CA 29.316000000 29.046000000 39.538000000 ASP 3 ca C 0.120 HA 28.421000000 29.091000000 38.883000000 ASP 3 h H 0.100 C 28.666000000 29.251000000 40.966000000 ASP 3 c' C 0.380 O 28.053000000 28.385000000 41.563000000 ASP 3 o' O -0.380 CB 29.872000000 27.577000000 39.212000000 ASP 3 c2 C -0.200 HB1 30.502000000 27.266000000 40.045000000 ASP 3 h H 0.100 HB2 29.049000000 26.894000000 39.141000000 ASP 3 h H 0.100 CG 30.736000000 27.474000000 37.935000000 ASP 3 c' C 0.380 OD1 30.284000000 27.673000000 36.784000000 ASP 3 o' O -0.350 OD2 32.038000000 27.180000000 38.188000000 ASP 3 oh O -0.380 HD2 32.435000000 26.915000000 37.320000000 ASP 3 ho H 0.350 C6 28.226000000 32.086000000 43.485000000 SAA 4 c1 C 0.050 H6 28.280000000 32.118000000 44.508000000 SAA 4 h H 0.100 O 29.106000000 33.132000000 42.909000000 SAA 4 o O -0.300 C3 28.247000000 34.245000000 42.545000000 SAA 4 c1 C 0.050 C2 28.948000000 35.205000000 41.530000000 SAA 4 c2 C -0.200 H21 29.569000000 35.899000000 42.000000000 SAA 4 h H 0.100 C1 29.559000000 34.544000000 40.269000000 SAA 4 c' C 0.380 O221 28.866000000 33.873000000 39.492000000 SAA 4 o' O -0.380 H22 28.071000000 35.860000000 41.126000000 SAA 4 h H 0.100 H3 28.084000000 34.776000000 43.510000000 SAA 4 h H 0.100 C4 26.906000000 33.646000000 42.122000000 SAA 4 c1 C -0.070 H4 26.866000000 33.474000000 41.032000000 SAA 4 h H 0.100 O4 25.809000000 34.531000000 42.439000000 SAA 4 oh O -0.380 HO4 25.006000000 34.112000000 42.139000000 SAA 4 ho H 0.350 C5 26.824000000 32.309000000 42.872000000 SAA 4 c1 C -0.070 H5 26.548000000 31.512000000 42.156000000 SAA 4 h H 0.100 O5 25.799000000 32.337000000 43.884000000 SAA 4 oh O -0.380 HO5 25.632000000 33.294000000 44.023000000 SAA 4 ho H 0.350 C7 28.875000000 30.675000000 43.023000000 SAA 4 c2 C 0.020 H71 28.296000000 29.928000000 43.517000000 SAA 4 h H 0.100 N 28.745000000 30.523000000 41.506000000 SAA 4 n N -0.500 HN 28.936000000 31.249000000 40.859000000 SAA 4 hn H 0.280 H72 29.892000000 30.693000000 43.235000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 41.130000000 42.775000000 53.326000000 ARG 1 n N -0.500 HN 42.133000000 42.571000000 53.273000000 ARG 1 hn H 0.280 CA 40.618000000 44.132000000 52.895000000 ARG 1 ca C 0.120 HA 39.678000000 44.271000000 53.501000000 ARG 1 h H 0.100 C 40.266000000 44.237000000 51.387000000 ARG 1 c' C 0.380 O 40.818000000 43.551000000 50.494000000 ARG 1 o' O -0.380 CB 41.608000000 45.199000000 53.459000000 ARG 1 c2 C -0.200 HB1 42.039000000 44.826000000 54.393000000 ARG 1 h H 0.110 HG1 41.108000000 47.281000000 52.789000000 ARG 1 h H 0.130 HG2 41.719000000 47.212000000 54.421000000 ARG 1 h H 0.130 CG 41.055000000 46.659000000 53.720000000 ARG 1 c2 C -0.200 HD1 38.876000000 46.834000000 53.442000000 ARG 1 h H 0.130 CD 39.621000000 46.659000000 54.288000000 ARG 1 c2 C -0.160 HD2 39.372000000 45.710000000 54.761000000 ARG 1 h H 0.130 NE 39.452000000 47.778000000 55.237000000 ARG 1 n N -0.560 CZ 39.399000000 49.076000000 54.897000000 ARG 1 cr C 0.380 HB2 42.469000000 45.246000000 52.749000000 ARG 1 h H 0.110 NH1 39.549000000 49.516000000 53.696000000 ARG 1 n2 N -0.560 HH12 39.862000000 48.791000000 53.024000000 ARG 1 hn H 0.280 HH11 39.405000000 50.539000000 53.539000000 ARG 1 hn H 0.280 NH2 39.229000000 49.927000000 55.859000000 ARG 1 n2 N -0.560 HH21 39.248000000 49.477000000 56.782000000 ARG 1 hn H 0.280 HH22 39.066000000 50.907000000 55.576000000 ARG 1 hn H 0.280 N 39.258000000 45.115000000 51.027000000 GLY 2 n N -0.500 HN 38.853000000 45.571000000 51.862000000 GLY 2 hn H 0.280 CA 38.765000000 45.284000000 49.634000000 GLY 2 cg C 0.020 HA1 37.962000000 46.057000000 49.658000000 GLY 2 h H 0.100 HA2 39.565000000 45.766000000 48.990000000 GLY 2 h H 0.100 C 38.260000000 44.044000000 48.857000000 GLY 2 c' C 0.380 O 38.579000000 43.859000000 47.690000000 GLY 2 o' O -0.380 N 37.409000000 43.174000000 49.527000000 ASP 3 n N -0.500 HN 37.390000000 43.374000000 50.539000000 ASP 3 hn H 0.280 CA 36.844000000 41.942000000 48.906000000 ASP 3 ca C 0.120 HA 36.213000000 41.513000000 49.744000000 ASP 3 h H 0.100 C 37.765000000 40.666000000 48.660000000 ASP 3 c' C 0.380 O 37.607000000 39.937000000 47.650000000 ASP 3 o' O -0.380 CB 35.759000000 42.260000000 47.815000000 ASP 3 c2 C -0.200 HB1 35.110000000 43.080000000 48.193000000 ASP 3 h H 0.100 HB2 36.308000000 42.801000000 46.952000000 ASP 3 h H 0.100 CG 34.872000000 41.196000000 47.231000000 ASP 3 c' C 0.380 OD1 33.676000000 40.989000000 47.582000000 ASP 3 o' O -0.350 OD2 35.453000000 40.475000000 46.215000000 ASP 3 oh O -0.380 HD2 34.691000000 40.024000000 45.754000000 ASP 3 ho H 0.350 C6 40.404000000 38.667000000 50.569000000 SAA 4 c1 C 0.050 H6 41.117000000 37.966000000 50.205000000 SAA 4 h H 0.100 O 41.085000000 39.592000000 51.430000000 SAA 4 o O -0.300 C3 40.812000000 39.237000000 52.785000000 SAA 4 c1 C 0.050 C2 41.045000000 40.373000000 53.798000000 SAA 4 c2 C -0.200 H21 42.081000000 40.475000000 54.070000000 SAA 4 h H 0.100 C1 40.342000000 41.730000000 53.565000000 SAA 4 c' C 0.380 O221 39.114000000 41.868000000 53.751000000 SAA 4 o' O -0.380 H22 40.574000000 39.989000000 54.805000000 SAA 4 h H 0.100 H3 41.482000000 38.398000000 53.026000000 SAA 4 h H 0.100 C4 39.345000000 38.675000000 52.758000000 SAA 4 c1 C -0.070 H4 38.623000000 39.513000000 52.856000000 SAA 4 h H 0.100 O4 39.144000000 37.778000000 53.841000000 SAA 4 oh O -0.380 HO4 38.277000000 37.454000000 53.802000000 SAA 4 ho H 0.350 C5 39.252000000 38.020000000 51.380000000 SAA 4 c1 C -0.070 H5 38.272000000 38.193000000 50.906000000 SAA 4 h H 0.100 O5 39.421000000 36.592000000 51.476000000 SAA 4 oh O -0.380 HO5 39.880000000 36.475000000 52.328000000 SAA 4 ho H 0.350 C7 39.876000000 39.431000000 49.239000000 SAA 4 c2 C 0.020 H71 39.521000000 38.703000000 48.545000000 SAA 4 h H 0.100 N 38.725000000 40.380000000 49.578000000 SAA 4 n N -0.500 HN 38.781000000 41.001000000 50.345000000 SAA 4 hn H 0.280 H72 40.639000000 40.036000000 48.882000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 31.931000000 32.991000000 42.894000000 ARG 1 n N -0.500 HN 31.884000000 31.970000000 42.878000000 ARG 1 hn H 0.280 CA 33.076000000 33.764000000 42.274000000 ARG 1 ca C 0.120 HA 33.167000000 34.667000000 42.860000000 ARG 1 h H 0.100 C 32.832000000 34.107000000 40.761000000 ARG 1 c' C 0.380 O 31.917000000 33.566000000 40.101000000 ARG 1 o' O -0.380 CB 34.405000000 32.964000000 42.564000000 ARG 1 c2 C -0.200 HB1 34.223000000 32.353000000 43.473000000 ARG 1 h H 0.110 HG1 35.510000000 34.847000000 42.888000000 ARG 1 h H 0.130 HG2 36.392000000 33.726000000 41.856000000 ARG 1 h H 0.130 CG 35.734000000 33.754000000 42.771000000 ARG 1 c2 C -0.200 HD1 36.183000000 32.304000000 44.369000000 ARG 1 h H 0.130 CD 36.559000000 33.233000000 43.951000000 ARG 1 c2 C -0.160 HD2 37.617000000 33.012000000 43.589000000 ARG 1 h H 0.130 NE 36.620000000 34.277000000 45.028000000 ARG 1 n N -0.560 CZ 37.488000000 34.286000000 46.054000000 ARG 1 cr C 0.380 HB2 34.520000000 32.216000000 41.758000000 ARG 1 h H 0.110 NH1 38.300000000 33.308000000 46.352000000 ARG 1 n2 N -0.560 HH12 38.230000000 32.499000000 45.698000000 ARG 1 hn H 0.280 HH11 38.902000000 33.432000000 47.151000000 ARG 1 hn H 0.280 NH2 37.524000000 35.355000000 46.799000000 ARG 1 n2 N -0.560 HH21 36.776000000 36.025000000 46.510000000 ARG 1 hn H 0.280 HH22 38.189000000 35.376000000 47.565000000 ARG 1 hn H 0.280 N 33.615000000 35.067000000 40.197000000 GLY 2 n N -0.500 HN 34.254000000 35.519000000 40.867000000 GLY 2 hn H 0.280 CA 33.490000000 35.499000000 38.754000000 GLY 2 cg C 0.020 HA1 34.093000000 36.398000000 38.547000000 GLY 2 h H 0.100 HA2 33.977000000 34.686000000 38.157000000 GLY 2 h H 0.100 C 32.077000000 35.732000000 38.161000000 GLY 2 c' C 0.380 O 31.803000000 35.368000000 37.015000000 GLY 2 o' O -0.380 N 31.130000000 36.331000000 38.956000000 ASP 3 n N -0.500 HN 31.434000000 36.374000000 39.930000000 ASP 3 hn H 0.280 CA 29.735000000 36.702000000 38.454000000 ASP 3 ca C 0.120 HA 29.405000000 37.384000000 39.271000000 ASP 3 h H 0.100 C 28.602000000 35.594000000 38.474000000 ASP 3 c' C 0.380 O 27.712000000 35.535000000 37.583000000 ASP 3 o' O -0.380 CB 29.837000000 37.632000000 37.199000000 ASP 3 c2 C -0.200 HB1 30.760000000 38.169000000 37.246000000 ASP 3 h H 0.100 HB2 29.945000000 36.966000000 36.274000000 ASP 3 h H 0.100 CG 28.700000000 38.607000000 36.894000000 ASP 3 c' C 0.380 OD1 28.373000000 38.986000000 35.751000000 ASP 3 o' O -0.350 OD2 28.041000000 39.021000000 38.004000000 ASP 3 oh O -0.380 HD2 27.378000000 39.658000000 37.770000000 ASP 3 ho H 0.350 C6 27.389000000 32.855000000 40.858000000 SAA 4 c1 C 0.050 H6 26.762000000 32.017000000 40.693000000 SAA 4 h H 0.100 O 28.562000000 32.405000000 41.621000000 SAA 4 o O -0.300 C3 28.327000000 32.687000000 43.003000000 SAA 4 c1 C 0.050 C2 29.677000000 32.671000000 43.818000000 SAA 4 c2 C -0.200 H21 29.963000000 31.658000000 43.979000000 SAA 4 h H 0.100 C1 30.803000000 33.581000000 43.282000000 SAA 4 c' C 0.380 O221 30.727000000 34.825000000 43.418000000 SAA 4 o' O -0.380 H22 29.398000000 33.085000000 44.842000000 SAA 4 h H 0.100 H3 27.680000000 31.888000000 43.381000000 SAA 4 h H 0.100 C4 27.558000000 34.005000000 43.022000000 SAA 4 c1 C -0.070 H4 28.256000000 34.873000000 42.951000000 SAA 4 h H 0.100 O4 26.772000000 34.160000000 44.227000000 SAA 4 oh O -0.380 HO4 26.311000000 35.000000000 44.164000000 SAA 4 ho H 0.350 C5 26.691000000 33.925000000 41.753000000 SAA 4 c1 C -0.070 H5 26.678000000 34.914000000 41.247000000 SAA 4 h H 0.100 O5 25.364000000 33.480000000 42.043000000 SAA 4 oh O -0.380 HO5 25.417000000 33.140000000 42.943000000 SAA 4 ho H 0.350 C7 27.851000000 33.388000000 39.439000000 SAA 4 c2 C 0.020 H71 26.908000000 33.581000000 38.836000000 SAA 4 h H 0.100 N 28.556000000 34.743000000 39.537000000 SAA 4 n N -0.500 HN 29.224000000 34.917000000 40.255000000 SAA 4 hn H 0.280 H72 28.463000000 32.754000000 38.976000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 23.636000000 28.984000000 32.373000000 ARG 1 n N -0.500 HN 23.958000000 29.321000000 33.258000000 ARG 1 hn H 0.280 CA 24.566000000 28.802000000 31.178000000 ARG 1 ca C 0.120 HA 23.954000000 28.963000000 30.287000000 ARG 1 h H 0.100 C 25.173000000 27.356000000 31.133000000 ARG 1 c' C 0.380 O 25.200000000 26.631000000 32.138000000 ARG 1 o' O -0.380 CB 25.598000000 29.979000000 31.167000000 ARG 1 c2 C -0.200 HB1 25.616000000 30.460000000 30.189000000 ARG 1 h H 0.110 HG1 27.650000000 29.275000000 30.791000000 ARG 1 h H 0.130 HG2 27.054000000 28.854000000 32.379000000 ARG 1 h H 0.130 CG 27.061000000 29.690000000 31.632000000 ARG 1 c2 C -0.200 HD1 28.066000000 31.645000000 31.437000000 ARG 1 h H 0.130 CD 27.705000000 30.946000000 32.256000000 ARG 1 c2 C -0.160 HD2 27.011000000 31.537000000 32.865000000 ARG 1 h H 0.130 NE 28.910000000 30.590000000 33.046000000 ARG 1 n N -0.560 CZ 29.773000000 31.413000000 33.613000000 ARG 1 cr C 0.380 HB2 25.166000000 30.791000000 31.827000000 ARG 1 h H 0.110 NH1 29.604000000 32.743000000 33.640000000 ARG 1 n2 N -0.560 HH12 28.690000000 33.034000000 33.258000000 ARG 1 hn H 0.280 HH11 30.402000000 33.288000000 33.921000000 ARG 1 hn H 0.280 NH2 30.830000000 30.929000000 34.171000000 ARG 1 n2 N -0.560 HH21 30.759000000 29.919000000 34.264000000 ARG 1 hn H 0.280 HH22 31.553000000 31.610000000 34.444000000 ARG 1 hn H 0.280 N 25.686000000 26.929000000 29.927000000 GLY 2 n N -0.500 HN 25.490000000 27.598000000 29.164000000 GLY 2 hn H 0.280 CA 26.276000000 25.571000000 29.758000000 GLY 2 cg C 0.020 HA1 26.372000000 25.360000000 28.708000000 GLY 2 h H 0.100 HA2 27.326000000 25.529000000 30.124000000 GLY 2 h H 0.100 C 25.520000000 24.383000000 30.466000000 GLY 2 c' C 0.380 O 26.115000000 23.709000000 31.296000000 GLY 2 o' O -0.380 N 24.203000000 24.188000000 30.118000000 ASP 3 n N -0.500 HN 23.815000000 25.023000000 29.655000000 ASP 3 hn H 0.280 CA 23.381000000 23.041000000 30.596000000 ASP 3 ca C 0.120 HA 22.363000000 23.266000000 30.142000000 ASP 3 h H 0.100 C 22.952000000 22.965000000 32.119000000 ASP 3 c' C 0.380 O 22.632000000 21.907000000 32.679000000 ASP 3 o' O -0.380 CB 23.791000000 21.695000000 29.894000000 ASP 3 c2 C -0.200 HB1 24.881000000 21.545000000 30.034000000 ASP 3 h H 0.100 HB2 23.317000000 20.826000000 30.414000000 ASP 3 h H 0.100 CG 23.565000000 21.566000000 28.380000000 ASP 3 c' C 0.380 OD1 22.544000000 21.926000000 27.803000000 ASP 3 o' O -0.350 OD2 24.674000000 21.082000000 27.716000000 ASP 3 oh O -0.380 HD2 24.562000000 21.296000000 26.776000000 ASP 3 ho H 0.350 C6 21.884000000 25.203000000 34.962000000 SAA 4 c1 C 0.050 H6 21.828000000 25.054000000 36.006000000 SAA 4 h H 0.100 O 22.328000000 26.591000000 34.758000000 SAA 4 o O -0.300 C3 21.164000000 27.400000000 34.449000000 SAA 4 c1 C 0.050 C2 21.575000000 28.708000000 33.672000000 SAA 4 c2 C -0.200 H21 21.980000000 29.431000000 34.319000000 SAA 4 h H 0.100 C1 22.372000000 28.474000000 32.370000000 SAA 4 c' C 0.380 O221 21.822000000 28.037000000 31.343000000 SAA 4 o' O -0.380 H22 20.565000000 29.155000000 33.339000000 SAA 4 h H 0.100 H3 20.707000000 27.649000000 35.401000000 SAA 4 h H 0.100 C4 20.230000000 26.455000000 33.672000000 SAA 4 c1 C -0.070 H4 20.547000000 26.430000000 32.595000000 SAA 4 h H 0.100 O4 18.867000000 26.913000000 33.705000000 SAA 4 oh O -0.380 HO4 18.324000000 26.243000000 33.259000000 SAA 4 ho H 0.350 C5 20.455000000 25.108000000 34.319000000 SAA 4 c1 C -0.070 H5 20.414000000 24.269000000 33.608000000 SAA 4 h H 0.100 O5 19.460000000 24.825000000 35.335000000 SAA 4 oh O -0.380 HO5 19.121000000 25.715000000 35.561000000 SAA 4 ho H 0.350 C7 22.934000000 24.201000000 34.323000000 SAA 4 c2 C 0.020 H71 22.653000000 23.175000000 34.740000000 SAA 4 h H 0.100 N 22.875000000 24.161000000 32.821000000 SAA 4 n N -0.500 HN 23.047000000 24.988000000 32.263000000 SAA 4 hn H 0.280 H72 23.904000000 24.409000000 34.608000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 27.771000000 33.063000000 38.533000000 ARG 1 n N -0.500 HN 28.261000000 33.961000000 38.655000000 ARG 1 hn H 0.280 CA 26.979000000 32.751000000 37.291000000 ARG 1 ca C 0.120 HA 26.064000000 32.209000000 37.689000000 ARG 1 h H 0.100 C 27.711000000 31.809000000 36.286000000 ARG 1 c' C 0.380 O 28.938000000 31.855000000 36.088000000 ARG 1 o' O -0.380 CB 26.405000000 34.067000000 36.709000000 ARG 1 c2 C -0.200 HB1 26.657000000 34.086000000 35.574000000 ARG 1 h H 0.110 HG1 26.830000000 36.234000000 36.449000000 ARG 1 h H 0.130 HG2 27.991000000 35.434000000 37.465000000 ARG 1 h H 0.130 CG 26.920000000 35.434000000 37.264000000 ARG 1 c2 C -0.200 HD1 25.220000000 35.378000000 38.665000000 ARG 1 h H 0.130 CD 26.127000000 35.905000000 38.514000000 ARG 1 c2 C -0.160 HD2 26.796000000 35.763000000 39.421000000 ARG 1 h H 0.130 NE 25.876000000 37.390000000 38.361000000 ARG 1 n N -0.560 CZ 25.006000000 37.926000000 37.509000000 ARG 1 cr C 0.380 HB2 25.314000000 34.029000000 36.680000000 ARG 1 h H 0.110 NH1 24.262000000 37.209000000 36.683000000 ARG 1 n2 N -0.560 HH12 24.281000000 36.221000000 36.861000000 ARG 1 hn H 0.280 HH11 23.715000000 37.772000000 35.972000000 ARG 1 hn H 0.280 NH2 24.892000000 39.209000000 37.470000000 ARG 1 n2 N -0.560 HH21 25.582000000 39.649000000 38.084000000 ARG 1 hn H 0.280 HH22 24.231000000 39.625000000 36.813000000 ARG 1 hn H 0.280 N 26.932000000 30.869000000 35.648000000 GLY 2 n N -0.500 HN 25.978000000 30.783000000 36.069000000 GLY 2 hn H 0.280 CA 27.453000000 30.050000000 34.510000000 GLY 2 cg C 0.020 HA1 26.590000000 29.579000000 34.005000000 GLY 2 h H 0.100 HA2 27.875000000 30.729000000 33.710000000 GLY 2 h H 0.100 C 28.518000000 28.945000000 34.799000000 GLY 2 c' C 0.380 O 29.398000000 28.678000000 33.943000000 GLY 2 o' O -0.380 N 28.504000000 28.320000000 36.014000000 ASP 3 n N -0.500 HN 27.736000000 28.639000000 36.613000000 ASP 3 hn H 0.280 CA 29.614000000 27.420000000 36.520000000 ASP 3 ca C 0.120 HA 29.197000000 27.064000000 37.456000000 ASP 3 h H 0.100 C 30.972000000 28.083000000 37.058000000 ASP 3 c' C 0.380 O 32.031000000 27.453000000 37.123000000 ASP 3 o' O -0.380 CB 29.784000000 26.126000000 35.649000000 ASP 3 c2 C -0.200 HB1 28.943000000 25.433000000 35.866000000 ASP 3 h H 0.100 HB2 29.657000000 26.334000000 34.568000000 ASP 3 h H 0.100 CG 31.074000000 25.328000000 35.829000000 ASP 3 c' C 0.380 OD1 32.043000000 25.393000000 35.020000000 ASP 3 o' O -0.350 OD2 31.098000000 24.575000000 36.951000000 ASP 3 oh O -0.380 HD2 31.728000000 23.806000000 36.738000000 ASP 3 ho H 0.350 C6 32.089000000 30.785000000 39.376000000 SAA 4 c1 C 0.050 H6 33.035000000 31.203000000 39.546000000 SAA 4 h H 0.100 O 31.137000000 31.895000000 39.397000000 SAA 4 o O -0.300 C3 30.443000000 31.845000000 40.661000000 SAA 4 c1 C 0.050 C2 29.050000000 32.579000000 40.560000000 SAA 4 c2 C -0.200 H21 29.182000000 33.617000000 40.715000000 SAA 4 h H 0.100 C1 28.109000000 32.133000000 39.445000000 SAA 4 c' C 0.380 O221 27.585000000 31.009000000 39.470000000 SAA 4 o' O -0.380 H22 28.495000000 32.265000000 41.557000000 SAA 4 h H 0.100 H3 31.077000000 32.362000000 41.385000000 SAA 4 h H 0.100 C4 30.367000000 30.368000000 41.065000000 SAA 4 c1 C -0.070 H4 29.514000000 29.837000000 40.670000000 SAA 4 h H 0.100 O4 30.315000000 30.234000000 42.525000000 SAA 4 oh O -0.380 HO4 30.291000000 29.315000000 42.724000000 SAA 4 ho H 0.350 C5 31.676000000 29.781000000 40.502000000 SAA 4 c1 C -0.070 H5 31.557000000 28.779000000 40.090000000 SAA 4 h H 0.100 O5 32.675000000 29.744000000 41.544000000 SAA 4 oh O -0.380 HO5 32.365000000 30.408000000 42.193000000 SAA 4 ho H 0.350 C7 32.117000000 30.143000000 37.915000000 SAA 4 c2 C 0.020 H71 33.025000000 29.451000000 37.897000000 SAA 4 h H 0.100 N 30.914000000 29.354000000 37.557000000 SAA 4 n N -0.500 HN 29.990000000 29.797000000 37.394000000 SAA 4 hn H 0.280 H72 32.286000000 30.890000000 37.234000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 31.577000000 31.646000000 39.403000000 ARG 1 n N -0.500 HN 32.325000000 31.137000000 38.905000000 ARG 1 hn H 0.280 CA 31.200000000 33.059000000 39.052000000 ARG 1 ca C 0.120 HA 30.766000000 33.469000000 39.972000000 ARG 1 h H 0.100 C 30.107000000 33.118000000 37.903000000 ARG 1 c' C 0.380 O 29.670000000 32.121000000 37.366000000 ARG 1 o' O -0.380 CB 32.503000000 33.881000000 38.782000000 ARG 1 c2 C -0.200 HB1 33.362000000 33.463000000 39.324000000 ARG 1 h H 0.110 HG1 31.798000000 35.927000000 38.298000000 ARG 1 h H 0.130 HG2 33.482000000 35.862000000 38.766000000 ARG 1 h H 0.130 CG 32.465000000 35.432000000 39.017000000 ARG 1 c2 C -0.200 HD1 31.400000000 36.615000000 40.545000000 ARG 1 h H 0.130 CD 32.104000000 35.815000000 40.465000000 ARG 1 c2 C -0.160 HD2 31.660000000 34.895000000 40.986000000 ARG 1 h H 0.130 NE 33.384000000 36.153000000 41.205000000 ARG 1 n N -0.560 CZ 33.434000000 36.762000000 42.388000000 ARG 1 cr C 0.380 HB2 32.785000000 33.664000000 37.714000000 ARG 1 h H 0.110 NH1 32.371000000 37.018000000 43.109000000 ARG 1 n2 N -0.560 HH12 31.503000000 36.790000000 42.678000000 ARG 1 hn H 0.280 HH11 32.545000000 37.353000000 44.102000000 ARG 1 hn H 0.280 NH2 34.560000000 37.165000000 42.841000000 ARG 1 n2 N -0.560 HH21 35.305000000 36.785000000 42.219000000 ARG 1 hn H 0.280 HH22 34.606000000 37.708000000 43.697000000 ARG 1 hn H 0.280 N 29.675000000 34.368000000 37.526000000 GLY 2 n N -0.500 HN 29.965000000 35.108000000 38.200000000 GLY 2 hn H 0.280 CA 28.801000000 34.598000000 36.326000000 GLY 2 cg C 0.020 HA1 28.387000000 35.599000000 36.330000000 GLY 2 h H 0.100 HA2 29.503000000 34.588000000 35.425000000 GLY 2 h H 0.100 C 27.698000000 33.563000000 36.002000000 GLY 2 c' C 0.380 O 27.464000000 33.213000000 34.841000000 GLY 2 o' O -0.380 N 26.936000000 33.092000000 37.061000000 ASP 3 n N -0.500 HN 27.322000000 33.419000000 37.959000000 ASP 3 hn H 0.280 CA 25.859000000 32.054000000 36.922000000 ASP 3 ca C 0.120 HA 25.434000000 31.985000000 37.911000000 ASP 3 h H 0.100 C 26.229000000 30.522000000 36.637000000 ASP 3 c' C 0.380 O 25.468000000 29.787000000 36.005000000 ASP 3 o' O -0.380 CB 24.669000000 32.618000000 36.016000000 ASP 3 c2 C -0.200 HB1 23.816000000 32.778000000 36.657000000 ASP 3 h H 0.100 HB2 24.982000000 33.632000000 35.636000000 ASP 3 h H 0.100 CG 24.240000000 31.780000000 34.811000000 ASP 3 c' C 0.380 OD1 24.983000000 31.378000000 33.909000000 ASP 3 o' O -0.350 OD2 22.884000000 31.511000000 34.830000000 ASP 3 oh O -0.380 HD2 22.713000000 30.958000000 34.016000000 ASP 3 ho H 0.350 C6 28.747000000 27.940000000 37.874000000 SAA 4 c1 C 0.050 H6 28.977000000 26.999000000 37.490000000 SAA 4 h H 0.100 O 29.979000000 28.631000000 38.258000000 SAA 4 o O -0.300 C3 30.195000000 28.390000000 39.666000000 SAA 4 c1 C 0.050 C2 31.202000000 29.411000000 40.290000000 SAA 4 c2 C -0.200 H21 32.219000000 29.182000000 40.002000000 SAA 4 h H 0.100 C1 30.829000000 30.890000000 40.212000000 SAA 4 c' C 0.380 O221 29.991000000 31.384000000 41.005000000 SAA 4 o' O -0.380 H22 31.213000000 29.177000000 41.432000000 SAA 4 h H 0.100 H3 30.576000000 27.389000000 39.755000000 SAA 4 h H 0.100 C4 28.766000000 28.411000000 40.276000000 SAA 4 c1 C -0.070 H4 28.480000000 29.469000000 40.464000000 SAA 4 h H 0.100 O4 28.711000000 27.699000000 41.530000000 SAA 4 oh O -0.380 HO4 27.773000000 27.805000000 41.813000000 SAA 4 ho H 0.350 C5 27.893000000 27.793000000 39.187000000 SAA 4 c1 C -0.070 H5 26.956000000 28.338000000 39.082000000 SAA 4 h H 0.100 O5 27.613000000 26.416000000 39.465000000 SAA 4 oh O -0.380 HO5 28.289000000 26.177000000 40.149000000 SAA 4 ho H 0.350 C7 27.999000000 28.754000000 36.721000000 SAA 4 c2 C 0.020 H71 27.236000000 28.090000000 36.323000000 SAA 4 h H 0.100 N 27.360000000 30.038000000 37.212000000 SAA 4 n N -0.500 HN 27.828000000 30.672000000 37.836000000 SAA 4 hn H 0.280 H72 28.718000000 29.028000000 35.995000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 28.493000000 33.208000000 38.481000000 ARG 1 n N -0.500 HN 28.500000000 33.319000000 39.473000000 ARG 1 hn H 0.280 CA 29.669000000 32.659000000 37.690000000 ARG 1 ca C 0.120 HA 29.599000000 33.134000000 36.691000000 ARG 1 h H 0.100 C 29.574000000 31.099000000 37.480000000 ARG 1 c' C 0.380 O 29.056000000 30.336000000 38.293000000 ARG 1 o' O -0.380 CB 30.966000000 33.203000000 38.327000000 ARG 1 c2 C -0.200 HB1 31.626000000 33.640000000 37.556000000 ARG 1 h H 0.110 HG1 31.334000000 31.368000000 39.543000000 ARG 1 h H 0.130 HG2 32.154000000 32.790000000 40.151000000 ARG 1 h H 0.130 CG 31.878000000 32.262000000 39.194000000 ARG 1 c2 C -0.200 HD1 33.459000000 30.823000000 38.649000000 ARG 1 h H 0.130 CD 33.166000000 31.882000000 38.420000000 ARG 1 c2 C -0.160 HD2 33.020000000 31.960000000 37.326000000 ARG 1 h H 0.130 NE 34.303000000 32.765000000 38.829000000 ARG 1 n N -0.560 CZ 34.577000000 33.961000000 38.327000000 ARG 1 cr C 0.380 HB2 30.710000000 34.133000000 38.912000000 ARG 1 h H 0.110 NH1 34.040000000 34.442000000 37.216000000 ARG 1 n2 N -0.560 HH12 33.540000000 33.699000000 36.717000000 ARG 1 hn H 0.280 HH11 34.180000000 35.442000000 37.071000000 ARG 1 hn H 0.280 NH2 35.453000000 34.690000000 38.937000000 ARG 1 n2 N -0.560 HH21 35.851000000 34.191000000 39.756000000 ARG 1 hn H 0.280 HH22 35.674000000 35.601000000 38.527000000 ARG 1 hn H 0.280 N 30.155000000 30.586000000 36.346000000 GLY 2 n N -0.500 HN 30.507000000 31.309000000 35.709000000 GLY 2 hn H 0.280 CA 30.156000000 29.105000000 36.076000000 GLY 2 cg C 0.020 HA1 30.606000000 28.918000000 35.068000000 GLY 2 h H 0.100 HA2 30.812000000 28.576000000 36.770000000 GLY 2 h H 0.100 C 28.763000000 28.394000000 36.099000000 GLY 2 c' C 0.380 O 28.610000000 27.414000000 36.851000000 GLY 2 o' O -0.380 N 27.782000000 28.844000000 35.273000000 ASP 3 n N -0.500 HN 28.074000000 29.761000000 34.832000000 ASP 3 hn H 0.280 CA 26.394000000 28.269000000 35.194000000 ASP 3 ca C 0.120 HA 25.867000000 29.028000000 34.612000000 ASP 3 h H 0.100 C 25.489000000 28.274000000 36.523000000 ASP 3 c' C 0.380 O 24.707000000 27.362000000 36.784000000 ASP 3 o' O -0.380 CB 26.359000000 26.987000000 34.295000000 ASP 3 c2 C -0.200 HB1 26.282000000 26.084000000 34.938000000 ASP 3 h H 0.100 HB2 25.389000000 26.984000000 33.707000000 ASP 3 h H 0.100 CG 27.484000000 26.729000000 33.309000000 ASP 3 c' C 0.380 OD1 27.718000000 27.388000000 32.275000000 ASP 3 o' O -0.350 OD2 28.310000000 25.674000000 33.678000000 ASP 3 oh O -0.380 HD2 28.940000000 25.577000000 32.955000000 ASP 3 ho H 0.350 C6 24.311000000 30.733000000 39.153000000 SAA 4 c1 C 0.050 H6 23.760000000 30.541000000 40.030000000 SAA 4 h H 0.100 O 25.344000000 31.691000000 39.484000000 SAA 4 o O -0.300 C3 24.909000000 32.987000000 38.948000000 SAA 4 c1 C 0.050 C2 26.177000000 33.930000000 38.790000000 SAA 4 c2 C -0.200 H21 26.441000000 34.283000000 39.725000000 SAA 4 h H 0.100 C1 27.275000000 33.400000000 37.887000000 SAA 4 c' C 0.380 O221 27.130000000 33.284000000 36.659000000 SAA 4 o' O -0.380 H22 25.745000000 34.860000000 38.202000000 SAA 4 h H 0.100 H3 24.236000000 33.418000000 39.661000000 SAA 4 h H 0.100 C4 24.183000000 32.646000000 37.637000000 SAA 4 c1 C -0.070 H4 24.888000000 32.458000000 36.820000000 SAA 4 h H 0.100 O4 23.290000000 33.714000000 37.252000000 SAA 4 oh O -0.380 HO4 22.797000000 33.381000000 36.476000000 SAA 4 ho H 0.350 C5 23.443000000 31.348000000 38.023000000 SAA 4 c1 C -0.070 H5 23.394000000 30.640000000 37.159000000 SAA 4 h H 0.100 O5 22.116000000 31.627000000 38.453000000 SAA 4 oh O -0.380 HO5 22.100000000 32.578000000 38.661000000 SAA 4 ho H 0.350 C7 25.006000000 29.343000000 38.743000000 SAA 4 c2 C 0.020 H71 24.281000000 28.579000000 38.863000000 SAA 4 h H 0.100 N 25.566000000 29.362000000 37.343000000 SAA 4 n N -0.500 HN 26.273000000 30.039000000 37.059000000 SAA 4 hn H 0.280 H72 25.852000000 29.227000000 39.399000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 38.873000000 45.944000000 52.839000000 ARG 1 n N -0.500 HN 39.530000000 46.584000000 53.148000000 ARG 1 hn H 0.280 CA 38.669000000 45.582000000 51.364000000 ARG 1 ca C 0.120 HA 37.590000000 45.268000000 51.313000000 ARG 1 h H 0.100 C 39.534000000 44.372000000 50.892000000 ARG 1 c' C 0.380 O 40.677000000 44.143000000 51.326000000 ARG 1 o' O -0.380 CB 38.735000000 46.893000000 50.542000000 ARG 1 c2 C -0.200 HB1 37.962000000 47.591000000 50.864000000 ARG 1 h H 0.110 HG1 37.741000000 47.197000000 48.568000000 ARG 1 h H 0.130 HG2 38.792000000 45.805000000 48.594000000 ARG 1 h H 0.130 CG 38.710000000 46.821000000 48.979000000 ARG 1 c2 C -0.200 HD1 40.857000000 47.187000000 48.527000000 ARG 1 h H 0.130 CD 39.875000000 47.662000000 48.355000000 ARG 1 c2 C -0.160 HD2 39.712000000 47.734000000 47.244000000 ARG 1 h H 0.130 NE 39.879000000 49.024000000 48.921000000 ARG 1 n N -0.560 CZ 40.584000000 49.443000000 49.992000000 ARG 1 cr C 0.380 HB2 39.682000000 47.443000000 50.848000000 ARG 1 h H 0.110 NH1 41.403000000 48.674000000 50.664000000 ARG 1 n2 N -0.560 HH12 41.508000000 47.737000000 50.235000000 ARG 1 hn H 0.280 HH11 41.769000000 49.072000000 51.549000000 ARG 1 hn H 0.280 NH2 40.458000000 50.670000000 50.335000000 ARG 1 n2 N -0.560 HH21 39.701000000 51.154000000 49.775000000 ARG 1 hn H 0.280 HH22 41.024000000 51.004000000 51.124000000 ARG 1 hn H 0.280 N 38.985000000 43.520000000 49.987000000 GLY 2 n N -0.500 HN 37.996000000 43.697000000 49.792000000 GLY 2 hn H 0.280 CA 39.753000000 42.332000000 49.418000000 GLY 2 cg C 0.020 HA1 39.159000000 41.850000000 48.661000000 GLY 2 h H 0.100 HA2 40.633000000 42.781000000 48.870000000 GLY 2 h H 0.100 C 40.294000000 41.301000000 50.433000000 GLY 2 c' C 0.380 O 41.522000000 41.017000000 50.461000000 GLY 2 o' O -0.380 N 39.423000000 40.722000000 51.309000000 ASP 3 n N -0.500 HN 38.551000000 41.238000000 51.354000000 ASP 3 hn H 0.280 CA 39.813000000 39.636000000 52.296000000 ASP 3 ca C 0.120 HA 38.888000000 39.443000000 52.837000000 ASP 3 h H 0.100 C 40.782000000 39.973000000 53.509000000 ASP 3 c' C 0.380 O 41.455000000 39.087000000 54.050000000 ASP 3 o' O -0.380 CB 40.106000000 38.299000000 51.520000000 ASP 3 c2 C -0.200 HB1 39.285000000 37.567000000 51.709000000 ASP 3 h H 0.100 HB2 39.969000000 38.486000000 50.420000000 ASP 3 h H 0.100 CG 41.415000000 37.580000000 51.790000000 ASP 3 c' C 0.380 OD1 41.563000000 36.726000000 52.723000000 ASP 3 o' O -0.350 OD2 42.420000000 37.861000000 50.929000000 ASP 3 oh O -0.380 HD2 43.118000000 37.220000000 51.052000000 ASP 3 ho H 0.350 C6 41.032000000 42.685000000 56.125000000 SAA 4 c1 C 0.050 H6 41.746000000 42.901000000 56.833000000 SAA 4 h H 0.100 O 40.639000000 43.926000000 55.432000000 SAA 4 o O -0.300 C3 39.449000000 44.442000000 56.076000000 SAA 4 c1 C 0.050 C2 38.698000000 45.518000000 55.255000000 SAA 4 c2 C -0.200 H21 39.230000000 46.487000000 55.331000000 SAA 4 h H 0.100 C1 38.300000000 45.186000000 53.819000000 SAA 4 c' C 0.380 O221 37.381000000 44.367000000 53.569000000 SAA 4 o' O -0.380 H22 37.719000000 45.708000000 55.816000000 SAA 4 h H 0.100 H3 39.804000000 44.874000000 57.018000000 SAA 4 h H 0.100 C4 38.633000000 43.150000000 56.428000000 SAA 4 c1 C -0.070 H4 37.994000000 42.886000000 55.590000000 SAA 4 h H 0.100 O4 37.786000000 43.376000000 57.583000000 SAA 4 oh O -0.380 HO4 37.289000000 42.549000000 57.688000000 SAA 4 ho H 0.350 C5 39.718000000 42.102000000 56.702000000 SAA 4 c1 C -0.070 H5 39.429000000 41.136000000 56.191000000 SAA 4 h H 0.100 O5 39.864000000 41.819000000 58.092000000 SAA 4 oh O -0.380 HO5 39.449000000 42.637000000 58.526000000 SAA 4 ho H 0.350 C7 41.729000000 41.714000000 55.055000000 SAA 4 c2 C 0.020 H71 42.189000000 40.868000000 55.616000000 SAA 4 h H 0.100 N 40.758000000 41.256000000 53.991000000 SAA 4 n N -0.500 HN 40.271000000 41.912000000 53.395000000 SAA 4 hn H 0.280 H72 42.466000000 42.244000000 54.564000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 38.990000000 44.507000000 52.592000000 ARG 1 n N -0.500 HN 39.616000000 45.280000000 52.832000000 ARG 1 hn H 0.280 CA 37.892000000 44.594000000 51.576000000 ARG 1 ca C 0.120 HA 37.013000000 44.081000000 52.017000000 ARG 1 h H 0.100 C 38.241000000 43.892000000 50.208000000 ARG 1 c' C 0.380 O 39.368000000 43.521000000 49.918000000 ARG 1 o' O -0.380 CB 37.470000000 46.098000000 51.465000000 ARG 1 c2 C -0.200 HB1 38.283000000 46.732000000 51.934000000 ARG 1 h H 0.110 HG1 35.910000000 47.624000000 51.854000000 ARG 1 h H 0.130 HG2 36.262000000 46.619000000 53.220000000 ARG 1 h H 0.130 CG 36.121000000 46.568000000 52.098000000 ARG 1 c2 C -0.200 HD1 34.170000000 46.163000000 51.134000000 ARG 1 h H 0.130 CD 34.937000000 45.631000000 51.779000000 ARG 1 c2 C -0.160 HD2 35.227000000 44.724000000 51.247000000 ARG 1 h H 0.130 NE 34.220000000 45.272000000 53.040000000 ARG 1 n N -0.560 CZ 33.014000000 44.693000000 53.085000000 ARG 1 cr C 0.380 HB2 37.543000000 46.412000000 50.404000000 ARG 1 h H 0.110 NH1 32.255000000 44.430000000 52.037000000 ARG 1 n2 N -0.560 HH12 32.629000000 44.852000000 51.196000000 ARG 1 hn H 0.280 HH11 31.417000000 43.849000000 52.202000000 ARG 1 hn H 0.280 NH2 32.573000000 44.322000000 54.251000000 ARG 1 n2 N -0.560 HH21 33.245000000 44.574000000 54.986000000 ARG 1 hn H 0.280 HH22 31.641000000 43.887000000 54.284000000 ARG 1 hn H 0.280 N 37.181000000 43.684000000 49.342000000 GLY 2 n N -0.500 HN 36.280000000 43.917000000 49.773000000 GLY 2 hn H 0.280 CA 37.385000000 43.054000000 47.993000000 GLY 2 cg C 0.020 HA1 36.436000000 42.603000000 47.653000000 GLY 2 h H 0.100 HA2 37.598000000 43.865000000 47.274000000 GLY 2 h H 0.100 C 38.493000000 41.972000000 47.846000000 GLY 2 c' C 0.380 O 39.458000000 42.137000000 47.095000000 GLY 2 o' O -0.380 N 38.378000000 40.829000000 48.610000000 ASP 3 n N -0.500 HN 37.708000000 40.941000000 49.387000000 ASP 3 hn H 0.280 CA 39.349000000 39.663000000 48.511000000 ASP 3 ca C 0.120 HA 39.047000000 38.977000000 49.288000000 ASP 3 h H 0.100 C 40.872000000 39.915000000 48.881000000 ASP 3 c' C 0.380 O 41.785000000 39.219000000 48.435000000 ASP 3 o' O -0.380 CB 39.089000000 38.819000000 47.203000000 ASP 3 c2 C -0.200 HB1 38.101000000 39.074000000 46.771000000 ASP 3 h H 0.100 HB2 39.821000000 39.122000000 46.423000000 ASP 3 h H 0.100 CG 39.082000000 37.283000000 47.278000000 ASP 3 c' C 0.380 OD1 38.222000000 36.559000000 46.724000000 ASP 3 o' O -0.350 OD2 40.143000000 36.765000000 47.981000000 ASP 3 oh O -0.380 HD2 40.143000000 35.825000000 47.858000000 ASP 3 ho H 0.350 C6 42.999000000 41.741000000 51.374000000 SAA 4 c1 C 0.050 H6 43.999000000 42.050000000 51.333000000 SAA 4 h H 0.100 O 42.243000000 42.872000000 51.976000000 SAA 4 o O -0.300 C3 41.914000000 42.531000000 53.308000000 SAA 4 c1 C 0.050 C2 40.713000000 43.330000000 53.886000000 SAA 4 c2 C -0.200 H21 41.033000000 44.284000000 54.237000000 SAA 4 h H 0.100 C1 39.395000000 43.312000000 53.116000000 SAA 4 c' C 0.380 O221 38.669000000 42.304000000 53.085000000 SAA 4 o' O -0.380 H22 40.493000000 42.806000000 54.926000000 SAA 4 h H 0.100 H3 42.813000000 42.725000000 53.950000000 SAA 4 h H 0.100 C4 41.728000000 40.975000000 53.319000000 SAA 4 c1 C -0.070 H4 40.723000000 40.714000000 53.065000000 SAA 4 h H 0.100 O4 41.956000000 40.444000000 54.648000000 SAA 4 oh O -0.380 HO4 41.995000000 39.488000000 54.573000000 SAA 4 ho H 0.350 C5 42.767000000 40.520000000 52.282000000 SAA 4 c1 C -0.070 H5 42.358000000 39.658000000 51.690000000 SAA 4 h H 0.100 O5 43.965000000 40.117000000 52.942000000 SAA 4 oh O -0.380 HO5 43.923000000 40.431000000 53.810000000 SAA 4 ho H 0.350 C7 42.499000000 41.531000000 49.887000000 SAA 4 c2 C 0.020 H71 43.247000000 40.890000000 49.388000000 SAA 4 h H 0.100 N 41.152000000 40.864000000 49.834000000 SAA 4 n N -0.500 HN 40.298000000 41.253000000 50.250000000 SAA 4 hn H 0.280 H72 42.412000000 42.451000000 49.387000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 30.863000000 34.521000000 39.979000000 ARG 1 n N -0.500 HN 31.691000000 34.106000000 40.354000000 ARG 1 hn H 0.280 CA 30.759000000 34.891000000 38.512000000 ARG 1 ca C 0.120 HA 30.026000000 35.752000000 38.481000000 ARG 1 h H 0.100 C 30.119000000 33.765000000 37.632000000 ARG 1 c' C 0.380 O 30.245000000 32.556000000 37.832000000 ARG 1 o' O -0.380 CB 32.121000000 35.459000000 38.047000000 ARG 1 c2 C -0.200 HB1 32.642000000 34.686000000 37.423000000 ARG 1 h H 0.110 HG1 32.805000000 35.798000000 40.129000000 ARG 1 h H 0.130 HG2 33.210000000 37.103000000 39.089000000 ARG 1 h H 0.130 CG 33.140000000 35.984000000 39.099000000 ARG 1 c2 C -0.200 HD1 34.765000000 35.174000000 37.857000000 ARG 1 h H 0.130 CD 34.550000000 35.389000000 38.893000000 ARG 1 c2 C -0.160 HD2 35.359000000 36.092000000 39.252000000 ARG 1 h H 0.130 NE 34.677000000 34.125000000 39.702000000 ARG 1 n N -0.560 CZ 35.857000000 33.479000000 39.874000000 ARG 1 cr C 0.380 HB2 31.915000000 36.269000000 37.316000000 ARG 1 h H 0.110 NH1 37.001000000 33.904000000 39.412000000 ARG 1 n2 N -0.560 HH12 36.928000000 34.781000000 38.893000000 ARG 1 hn H 0.280 HH11 37.828000000 33.367000000 39.708000000 ARG 1 hn H 0.280 NH2 35.812000000 32.363000000 40.535000000 ARG 1 n2 N -0.560 HH21 34.890000000 32.199000000 40.939000000 ARG 1 hn H 0.280 HH22 36.718000000 31.844000000 40.592000000 ARG 1 hn H 0.280 N 29.297000000 34.192000000 36.600000000 GLY 2 n N -0.500 HN 28.996000000 35.142000000 36.690000000 GLY 2 hn H 0.280 CA 28.823000000 33.197000000 35.550000000 GLY 2 cg C 0.020 HA1 28.267000000 33.739000000 34.796000000 GLY 2 h H 0.100 HA2 29.719000000 32.786000000 35.026000000 GLY 2 h H 0.100 C 28.001000000 31.964000000 36.059000000 GLY 2 c' C 0.380 O 28.250000000 30.833000000 35.662000000 GLY 2 o' O -0.380 N 26.992000000 32.225000000 36.949000000 ASP 3 n N -0.500 HN 27.009000000 33.210000000 37.236000000 ASP 3 hn H 0.280 CA 26.186000000 31.154000000 37.650000000 ASP 3 ca C 0.120 HA 25.664000000 31.760000000 38.405000000 ASP 3 h H 0.100 C 26.949000000 30.112000000 38.611000000 ASP 3 c' C 0.380 O 26.690000000 28.898000000 38.593000000 ASP 3 o' O -0.380 CB 25.054000000 30.565000000 36.746000000 ASP 3 c2 C -0.200 HB1 24.292000000 30.100000000 37.432000000 ASP 3 h H 0.100 HB2 24.487000000 31.356000000 36.228000000 ASP 3 h H 0.100 CG 25.397000000 29.466000000 35.723000000 ASP 3 c' C 0.380 OD1 26.273000000 28.592000000 35.902000000 ASP 3 o' O -0.350 OD2 24.601000000 29.453000000 34.609000000 ASP 3 oh O -0.380 HD2 24.935000000 28.720000000 34.053000000 ASP 3 ho H 0.350 C6 28.985000000 30.358000000 41.740000000 SAA 4 c1 C 0.050 H6 29.432000000 29.567000000 42.334000000 SAA 4 h H 0.100 O 29.917000000 31.448000000 41.714000000 SAA 4 o O -0.300 C3 29.429000000 32.506000000 42.594000000 SAA 4 c1 C 0.050 C2 30.020000000 33.897000000 42.197000000 SAA 4 c2 C -0.200 H21 31.063000000 33.960000000 42.482000000 SAA 4 h H 0.100 C1 29.771000000 34.369000000 40.755000000 SAA 4 c' C 0.380 O221 28.610000000 34.719000000 40.385000000 SAA 4 o' O -0.380 H22 29.505000000 34.668000000 42.843000000 SAA 4 h H 0.100 H3 29.761000000 32.249000000 43.620000000 SAA 4 h H 0.100 C4 27.902000000 32.391000000 42.543000000 SAA 4 c1 C -0.070 H4 27.538000000 32.899000000 41.609000000 SAA 4 h H 0.100 O4 27.252000000 32.940000000 43.677000000 SAA 4 oh O -0.380 HO4 26.302000000 32.882000000 43.562000000 SAA 4 ho H 0.350 C5 27.665000000 30.858000000 42.397000000 SAA 4 c1 C -0.070 H5 26.792000000 30.706000000 41.699000000 SAA 4 h H 0.100 O5 27.418000000 30.278000000 43.646000000 SAA 4 oh O -0.380 HO5 27.717000000 30.886000000 44.303000000 SAA 4 ho H 0.350 C7 28.791000000 29.751000000 40.290000000 SAA 4 c2 C 0.020 H71 28.279000000 28.758000000 40.419000000 SAA 4 h H 0.100 N 27.896000000 30.623000000 39.436000000 SAA 4 n N -0.500 HN 28.151000000 31.606000000 39.243000000 SAA 4 hn H 0.280 H72 29.687000000 29.639000000 39.802000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 29.134000000 31.956000000 38.276000000 ARG 1 n N -0.500 HN 29.315000000 31.698000000 39.228000000 ARG 1 hn H 0.280 CA 29.927000000 31.461000000 37.094000000 ARG 1 ca C 0.120 HA 29.808000000 32.263000000 36.330000000 ARG 1 h H 0.100 C 29.366000000 30.113000000 36.499000000 ARG 1 c' C 0.380 O 28.819000000 29.261000000 37.249000000 ARG 1 o' O -0.380 CB 31.461000000 31.479000000 37.452000000 ARG 1 c2 C -0.200 HB1 31.671000000 30.624000000 38.089000000 ARG 1 h H 0.110 HG1 32.727000000 32.505000000 38.928000000 ARG 1 h H 0.130 HG2 31.247000000 33.365000000 38.613000000 ARG 1 h H 0.130 CG 32.057000000 32.771000000 38.087000000 ARG 1 c2 C -0.200 HD1 32.071000000 34.165000000 36.373000000 ARG 1 h H 0.130 CD 32.738000000 33.695000000 37.065000000 ARG 1 c2 C -0.160 HD2 33.290000000 34.526000000 37.644000000 ARG 1 h H 0.130 NE 33.816000000 32.957000000 36.351000000 ARG 1 n N -0.560 CZ 34.927000000 32.474000000 36.923000000 ARG 1 cr C 0.380 HB2 31.985000000 31.253000000 36.483000000 ARG 1 h H 0.110 NH1 35.295000000 32.705000000 38.163000000 ARG 1 n2 N -0.560 HH12 34.586000000 33.279000000 38.693000000 ARG 1 hn H 0.280 HH11 36.147000000 32.269000000 38.509000000 ARG 1 hn H 0.280 NH2 35.688000000 31.698000000 36.215000000 ARG 1 n2 N -0.560 HH21 35.340000000 31.608000000 35.259000000 ARG 1 hn H 0.280 HH22 36.515000000 31.297000000 36.676000000 ARG 1 hn H 0.280 N 29.492000000 29.905000000 35.155000000 GLY 2 n N -0.500 HN 29.797000000 30.766000000 34.661000000 GLY 2 hn H 0.280 CA 29.181000000 28.608000000 34.507000000 GLY 2 cg C 0.020 HA1 29.476000000 28.654000000 33.454000000 GLY 2 h H 0.100 HA2 29.852000000 27.816000000 34.965000000 GLY 2 h H 0.100 C 27.726000000 28.058000000 34.574000000 GLY 2 c' C 0.380 O 27.489000000 26.854000000 34.604000000 GLY 2 o' O -0.380 N 26.711000000 28.983000000 34.548000000 ASP 3 n N -0.500 HN 27.028000000 29.941000000 34.529000000 ASP 3 hn H 0.280 CA 25.247000000 28.578000000 34.727000000 ASP 3 ca C 0.120 HA 24.681000000 29.373000000 34.327000000 ASP 3 h H 0.100 C 24.691000000 28.398000000 36.197000000 ASP 3 c' C 0.380 O 24.055000000 27.395000000 36.536000000 ASP 3 o' O -0.380 CB 24.944000000 27.375000000 33.736000000 ASP 3 c2 C -0.200 HB1 25.484000000 27.574000000 32.828000000 ASP 3 h H 0.100 HB2 25.392000000 26.440000000 34.140000000 ASP 3 h H 0.100 CG 23.485000000 27.090000000 33.392000000 ASP 3 c' C 0.380 OD1 23.019000000 25.952000000 33.177000000 ASP 3 o' O -0.350 OD2 22.714000000 28.229000000 33.384000000 ASP 3 oh O -0.380 HD2 21.761000000 27.869000000 33.499000000 ASP 3 ho H 0.350 C6 24.475000000 30.620000000 39.342000000 SAA 4 c1 C 0.050 H6 23.993000000 30.393000000 40.273000000 SAA 4 h H 0.100 O 25.839000000 31.055000000 39.593000000 SAA 4 o O -0.300 C3 25.806000000 32.503000000 39.628000000 SAA 4 c1 C 0.050 C2 27.250000000 33.085000000 39.398000000 SAA 4 c2 C -0.200 H21 27.817000000 32.970000000 40.292000000 SAA 4 h H 0.100 C1 27.966000000 32.647000000 38.129000000 SAA 4 c' C 0.380 O221 27.617000000 33.053000000 36.993000000 SAA 4 o' O -0.380 H22 27.112000000 34.241000000 39.352000000 SAA 4 h H 0.100 H3 25.449000000 32.785000000 40.601000000 SAA 4 h H 0.100 C4 24.776000000 32.919000000 38.560000000 SAA 4 c1 C -0.070 H4 25.251000000 32.946000000 37.547000000 SAA 4 h H 0.100 O4 24.236000000 34.232000000 38.833000000 SAA 4 oh O -0.380 HO4 23.612000000 34.439000000 38.148000000 SAA 4 ho H 0.350 C5 23.729000000 31.800000000 38.630000000 SAA 4 c1 C -0.070 H5 23.424000000 31.487000000 37.597000000 SAA 4 h H 0.100 O5 22.550000000 32.190000000 39.308000000 SAA 4 oh O -0.380 HO5 22.848000000 32.975000000 39.846000000 SAA 4 ho H 0.350 C7 24.462000000 29.263000000 38.531000000 SAA 4 c2 C 0.020 H71 23.453000000 28.843000000 38.558000000 SAA 4 h H 0.100 N 24.922000000 29.426000000 37.096000000 SAA 4 n N -0.500 HN 25.551000000 30.125000000 36.769000000 SAA 4 hn H 0.280 H72 25.190000000 28.622000000 38.955000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 36.450000000 42.713000000 47.218000000 ARG 1 n N -0.500 HN 36.337000000 43.376000000 47.978000000 ARG 1 hn H 0.280 CA 37.814000000 42.273000000 46.749000000 ARG 1 ca C 0.120 HA 37.628000000 42.071000000 45.646000000 ARG 1 h H 0.100 C 38.260000000 40.918000000 47.397000000 ARG 1 c' C 0.380 O 37.732000000 40.431000000 48.437000000 ARG 1 o' O -0.380 CB 38.788000000 43.471000000 46.801000000 ARG 1 c2 C -0.200 HB1 39.638000000 43.293000000 46.066000000 ARG 1 h H 0.110 HG1 40.421000000 44.335000000 47.974000000 ARG 1 h H 0.130 HG2 39.816000000 42.853000000 48.677000000 ARG 1 h H 0.130 CG 39.467000000 43.801000000 48.179000000 ARG 1 c2 C -0.200 HD1 39.145000000 45.316000000 49.746000000 ARG 1 h H 0.130 CD 38.536000000 44.557000000 49.118000000 ARG 1 c2 C -0.160 HD2 37.805000000 45.160000000 48.575000000 ARG 1 h H 0.130 NE 37.823000000 43.631000000 50.039000000 ARG 1 n N -0.560 CZ 38.387000000 43.062000000 51.140000000 ARG 1 cr C 0.380 HB2 38.300000000 44.365000000 46.401000000 ARG 1 h H 0.110 NH1 39.566000000 43.384000000 51.604000000 ARG 1 n2 N -0.560 HH12 40.130000000 43.923000000 50.892000000 ARG 1 hn H 0.280 HH11 39.774000000 43.132000000 52.556000000 ARG 1 hn H 0.280 NH2 37.679000000 42.234000000 51.797000000 ARG 1 n2 N -0.560 HH21 36.771000000 42.044000000 51.354000000 ARG 1 hn H 0.280 HH22 38.126000000 41.805000000 52.635000000 ARG 1 hn H 0.280 N 39.266000000 40.231000000 46.772000000 GLY 2 n N -0.500 HN 39.600000000 40.665000000 45.929000000 GLY 2 hn H 0.280 CA 39.698000000 38.854000000 47.263000000 GLY 2 cg C 0.020 HA1 40.098000000 38.343000000 46.347000000 GLY 2 h H 0.100 HA2 40.506000000 38.971000000 47.942000000 GLY 2 h H 0.100 C 38.585000000 37.941000000 47.859000000 GLY 2 c' C 0.380 O 38.629000000 37.554000000 49.029000000 GLY 2 o' O -0.380 N 37.583000000 37.510000000 47.017000000 ASP 3 n N -0.500 HN 37.555000000 38.078000000 46.134000000 ASP 3 hn H 0.280 CA 36.540000000 36.528000000 47.414000000 ASP 3 ca C 0.120 HA 35.795000000 36.674000000 46.583000000 ASP 3 h H 0.100 C 35.560000000 36.870000000 48.650000000 ASP 3 c' C 0.380 O 35.159000000 35.960000000 49.394000000 ASP 3 o' O -0.380 CB 36.979000000 35.037000000 47.273000000 ASP 3 c2 C -0.200 HB1 36.419000000 34.402000000 48.001000000 ASP 3 h H 0.100 HB2 36.719000000 34.589000000 46.298000000 ASP 3 h H 0.100 CG 38.456000000 34.685000000 47.567000000 ASP 3 c' C 0.380 OD1 38.850000000 33.822000000 48.354000000 ASP 3 o' O -0.350 OD2 39.333000000 35.399000000 46.775000000 ASP 3 oh O -0.380 HD2 40.209000000 35.098000000 46.978000000 ASP 3 ho H 0.350 C6 33.346000000 39.748000000 49.683000000 SAA 4 c1 C 0.050 H6 32.802000000 39.949000000 50.548000000 SAA 4 h H 0.100 O 34.046000000 40.961000000 49.266000000 SAA 4 o O -0.300 C3 33.200000000 41.623000000 48.283000000 SAA 4 c1 C 0.050 C2 34.000000000 42.647000000 47.434000000 SAA 4 c2 C -0.200 H21 34.148000000 43.571000000 47.968000000 SAA 4 h H 0.100 C1 35.303000000 42.136000000 46.771000000 SAA 4 c' C 0.380 O221 35.296000000 41.396000000 45.789000000 SAA 4 o' O -0.380 H22 33.322000000 42.946000000 46.552000000 SAA 4 h H 0.100 H3 32.399000000 42.096000000 48.849000000 SAA 4 h H 0.100 C4 32.570000000 40.442000000 47.475000000 SAA 4 c1 C -0.070 H4 33.306000000 40.125000000 46.691000000 SAA 4 h H 0.100 O4 31.367000000 40.812000000 46.809000000 SAA 4 oh O -0.380 HO4 31.053000000 40.059000000 46.351000000 SAA 4 ho H 0.350 C5 32.409000000 39.331000000 48.505000000 SAA 4 c1 C -0.070 H5 32.720000000 38.343000000 48.053000000 SAA 4 h H 0.100 O5 31.061000000 39.184000000 48.950000000 SAA 4 oh O -0.380 HO5 30.636000000 40.017000000 48.649000000 SAA 4 ho H 0.350 C7 34.439000000 38.627000000 50.042000000 SAA 4 c2 C 0.020 H71 33.856000000 37.820000000 50.518000000 SAA 4 h H 0.100 N 35.147000000 38.113000000 48.807000000 SAA 4 n N -0.500 HN 35.573000000 38.814000000 48.154000000 SAA 4 hn H 0.280 H72 35.147000000 39.047000000 50.645000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 35.607000000 40.419000000 49.380000000 ARG 1 n N -0.500 HN 35.844000000 41.424000000 49.588000000 ARG 1 hn H 0.280 CA 34.456000000 40.101000000 48.448000000 ARG 1 ca C 0.120 HA 34.088000000 39.129000000 48.750000000 ARG 1 h H 0.100 C 34.939000000 40.020000000 46.942000000 ARG 1 c' C 0.380 O 36.103000000 40.137000000 46.612000000 ARG 1 o' O -0.380 CB 33.324000000 41.154000000 48.733000000 ARG 1 c2 C -0.200 HB1 33.350000000 41.387000000 49.821000000 ARG 1 h H 0.110 HG1 31.688000000 39.707000000 48.524000000 ARG 1 h H 0.130 HG2 31.659000000 40.932000000 47.283000000 ARG 1 h H 0.130 CG 31.859000000 40.812000000 48.362000000 ARG 1 c2 C -0.200 HD1 31.334000000 42.401000000 49.768000000 ARG 1 h H 0.130 CD 30.828000000 41.595000000 49.203000000 ARG 1 c2 C -0.160 HD2 30.085000000 42.041000000 48.515000000 ARG 1 h H 0.130 NE 30.141000000 40.678000000 50.141000000 ARG 1 n N -0.560 CZ 30.426000000 40.452000000 51.396000000 ARG 1 cr C 0.380 HB2 33.665000000 42.114000000 48.267000000 ARG 1 h H 0.110 NH1 31.323000000 41.137000000 52.085000000 ARG 1 n2 N -0.560 HH12 31.940000000 41.678000000 51.453000000 ARG 1 hn H 0.280 HH11 31.387000000 41.015000000 53.096000000 ARG 1 hn H 0.280 NH2 29.811000000 39.528000000 52.041000000 ARG 1 n2 N -0.560 HH21 29.156000000 39.026000000 51.443000000 ARG 1 hn H 0.280 HH22 30.022000000 39.395000000 53.059000000 ARG 1 hn H 0.280 N 33.939000000 39.821000000 46.011000000 GLY 2 n N -0.500 HN 33.029000000 39.639000000 46.458000000 GLY 2 hn H 0.280 CA 34.207000000 39.779000000 44.535000000 GLY 2 cg C 0.020 HA1 33.491000000 38.995000000 44.106000000 GLY 2 h H 0.100 HA2 33.887000000 40.707000000 44.072000000 GLY 2 h H 0.100 C 35.635000000 39.418000000 44.054000000 GLY 2 c' C 0.380 O 36.302000000 40.217000000 43.380000000 GLY 2 o' O -0.380 N 36.129000000 38.179000000 44.425000000 ASP 3 n N -0.500 HN 35.547000000 37.722000000 45.098000000 ASP 3 hn H 0.280 CA 37.548000000 37.749000000 44.060000000 ASP 3 ca C 0.120 HA 37.670000000 36.888000000 44.720000000 ASP 3 h H 0.100 C 38.778000000 38.651000000 44.529000000 ASP 3 c' C 0.380 O 39.863000000 38.650000000 43.980000000 ASP 3 o' O -0.380 CB 37.583000000 37.175000000 42.602000000 ASP 3 c2 C -0.200 HB1 36.666000000 36.658000000 42.351000000 ASP 3 h H 0.100 HB2 37.615000000 38.050000000 41.890000000 ASP 3 h H 0.100 CG 38.757000000 36.250000000 42.207000000 ASP 3 c' C 0.380 OD1 38.928000000 35.108000000 42.644000000 ASP 3 o' O -0.350 OD2 39.617000000 36.816000000 41.305000000 ASP 3 oh O -0.380 HD2 40.494000000 36.384000000 41.509000000 ASP 3 ho H 0.350 C6 39.986000000 40.374000000 47.579000000 SAA 4 c1 C 0.050 H6 40.855000000 40.993000000 47.669000000 SAA 4 h H 0.100 O 38.993000000 40.836000000 48.507000000 SAA 4 o O -0.300 C3 39.083000000 40.034000000 49.713000000 SAA 4 c1 C 0.050 C2 37.745000000 40.099000000 50.520000000 SAA 4 c2 C -0.200 H21 37.610000000 41.024000000 50.967000000 SAA 4 h H 0.100 C1 36.483000000 39.547000000 49.827000000 SAA 4 c' C 0.380 O221 36.237000000 38.316000000 49.840000000 SAA 4 o' O -0.380 H22 37.931000000 39.411000000 51.458000000 SAA 4 h H 0.100 H3 39.912000000 40.444000000 50.298000000 SAA 4 h H 0.100 C4 39.495000000 38.624000000 49.248000000 SAA 4 c1 C -0.070 H4 38.612000000 38.013000000 49.010000000 SAA 4 h H 0.100 O4 40.247000000 37.935000000 50.249000000 SAA 4 oh O -0.380 HO4 40.507000000 37.110000000 49.912000000 SAA 4 ho H 0.350 C5 40.326000000 38.886000000 47.982000000 SAA 4 c1 C -0.070 H5 40.029000000 38.196000000 47.167000000 SAA 4 h H 0.100 O5 41.719000000 38.753000000 48.218000000 SAA 4 oh O -0.380 HO5 41.803000000 38.776000000 49.200000000 SAA 4 ho H 0.350 C7 39.462000000 40.513000000 46.091000000 SAA 4 c2 C 0.020 H71 40.298000000 40.576000000 45.410000000 SAA 4 h H 0.100 N 38.561000000 39.373000000 45.690000000 SAA 4 n N -0.500 HN 37.657000000 39.221000000 46.132000000 SAA 4 hn H 0.280 H72 38.885000000 41.420000000 46.031000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 31.985000000 37.592000000 44.204000000 ARG 1 n N -0.500 HN 32.321000000 38.258000000 44.886000000 ARG 1 hn H 0.280 CA 31.999000000 37.937000000 42.725000000 ARG 1 ca C 0.120 HA 31.265000000 37.210000000 42.289000000 ARG 1 h H 0.100 C 33.379000000 37.649000000 42.056000000 ARG 1 c' C 0.380 O 34.478000000 37.955000000 42.590000000 ARG 1 o' O -0.380 CB 31.402000000 39.344000000 42.540000000 ARG 1 c2 C -0.200 HB1 32.131000000 40.055000000 42.110000000 ARG 1 h H 0.110 HG1 31.435000000 40.068000000 44.610000000 ARG 1 h H 0.130 HG2 29.861000000 39.466000000 44.123000000 ARG 1 h H 0.130 CG 30.707000000 40.053000000 43.758000000 ARG 1 c2 C -0.200 HD1 31.102000000 42.021000000 42.854000000 ARG 1 h H 0.130 CD 30.291000000 41.502000000 43.408000000 ARG 1 c2 C -0.160 HD2 29.386000000 41.555000000 42.828000000 ARG 1 h H 0.130 NE 30.182000000 42.279000000 44.713000000 ARG 1 n N -0.560 CZ 29.388000000 43.366000000 44.838000000 ARG 1 cr C 0.380 HB2 30.631000000 39.253000000 41.712000000 ARG 1 h H 0.110 NH1 28.729000000 43.911000000 43.849000000 ARG 1 n2 N -0.560 HH12 28.983000000 43.544000000 42.946000000 ARG 1 hn H 0.280 HH11 28.032000000 44.642000000 44.109000000 ARG 1 hn H 0.280 NH2 29.284000000 43.891000000 46.014000000 ARG 1 n2 N -0.560 HH21 29.890000000 43.365000000 46.689000000 ARG 1 hn H 0.280 HH22 28.729000000 44.738000000 46.127000000 ARG 1 hn H 0.280 N 33.410000000 36.967000000 40.864000000 GLY 2 n N -0.500 HN 32.461000000 36.805000000 40.492000000 GLY 2 hn H 0.280 CA 34.687000000 36.503000000 40.223000000 GLY 2 cg C 0.020 HA1 34.556000000 36.334000000 39.154000000 GLY 2 h H 0.100 HA2 35.430000000 37.303000000 40.291000000 GLY 2 h H 0.100 C 35.370000000 35.220000000 40.846000000 GLY 2 c' C 0.380 O 36.505000000 35.274000000 41.279000000 GLY 2 o' O -0.380 N 34.599000000 34.079000000 40.875000000 ASP 3 n N -0.500 HN 33.609000000 34.243000000 40.661000000 ASP 3 hn H 0.280 CA 35.094000000 32.752000000 41.428000000 ASP 3 ca C 0.120 HA 34.169000000 32.196000000 41.508000000 ASP 3 h H 0.100 C 35.684000000 32.683000000 42.918000000 ASP 3 c' C 0.380 O 36.589000000 31.943000000 43.235000000 ASP 3 o' O -0.380 CB 35.928000000 32.020000000 40.310000000 ASP 3 c2 C -0.200 HB1 35.206000000 31.702000000 39.504000000 ASP 3 h H 0.100 HB2 36.596000000 32.738000000 39.819000000 ASP 3 h H 0.100 CG 36.692000000 30.745000000 40.668000000 ASP 3 c' C 0.380 OD1 36.175000000 29.679000000 41.071000000 ASP 3 o' O -0.350 OD2 38.053000000 30.827000000 40.419000000 ASP 3 oh O -0.380 HD2 38.322000000 29.868000000 40.341000000 ASP 3 ho H 0.350 C6 34.752000000 34.019000000 46.353000000 SAA 4 c1 C 0.050 H6 35.308000000 34.049000000 47.225000000 SAA 4 h H 0.100 O 34.046000000 35.277000000 46.221000000 SAA 4 o O -0.300 C3 32.714000000 35.110000000 46.753000000 SAA 4 c1 C 0.050 C2 31.728000000 36.206000000 46.198000000 SAA 4 c2 C -0.200 H21 31.782000000 37.100000000 46.762000000 SAA 4 h H 0.100 C1 31.718000000 36.372000000 44.673000000 SAA 4 c' C 0.380 O221 31.303000000 35.442000000 43.933000000 SAA 4 o' O -0.380 H22 30.670000000 35.783000000 46.468000000 SAA 4 h H 0.100 H3 32.791000000 35.165000000 47.812000000 SAA 4 h H 0.100 C4 32.328000000 33.651000000 46.350000000 SAA 4 c1 C -0.070 H4 31.932000000 33.655000000 45.312000000 SAA 4 h H 0.100 O4 31.295000000 33.122000000 47.206000000 SAA 4 oh O -0.380 HO4 31.115000000 32.248000000 46.906000000 SAA 4 ho H 0.350 C5 33.642000000 32.897000000 46.406000000 SAA 4 c1 C -0.070 H5 33.718000000 32.202000000 45.549000000 SAA 4 h H 0.100 O5 33.803000000 32.142000000 47.617000000 SAA 4 oh O -0.380 HO5 33.099000000 32.500000000 48.197000000 SAA 4 ho H 0.350 C7 35.752000000 33.797000000 45.153000000 SAA 4 c2 C 0.020 H71 36.415000000 32.931000000 45.409000000 SAA 4 h H 0.100 N 35.076000000 33.482000000 43.851000000 SAA 4 n N -0.500 HN 34.330000000 34.049000000 43.480000000 SAA 4 hn H 0.280 H72 36.346000000 34.627000000 45.016000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 31.917000000 32.386000000 39.070000000 ARG 1 n N -0.500 HN 32.756000000 32.255000000 38.538000000 ARG 1 hn H 0.280 CA 31.056000000 33.613000000 38.915000000 ARG 1 ca C 0.120 HA 30.507000000 33.712000000 39.873000000 ARG 1 h H 0.100 C 29.967000000 33.430000000 37.786000000 ARG 1 c' C 0.380 O 30.119000000 32.660000000 36.837000000 ARG 1 o' O -0.380 CB 31.963000000 34.859000000 38.786000000 ARG 1 c2 C -0.200 HB1 32.903000000 34.648000000 39.328000000 ARG 1 h H 0.110 HG1 30.326000000 36.328000000 39.167000000 ARG 1 h H 0.130 HG2 31.792000000 37.077000000 38.649000000 ARG 1 h H 0.130 CG 31.413000000 36.263000000 39.295000000 ARG 1 c2 C -0.200 HD1 32.909000000 36.222000000 40.970000000 ARG 1 h H 0.130 CD 31.854000000 36.521000000 40.757000000 ARG 1 c2 C -0.160 HD2 31.793000000 37.583000000 40.996000000 ARG 1 h H 0.130 NE 30.991000000 35.717000000 41.694000000 ARG 1 n N -0.560 CZ 29.721000000 35.982000000 41.973000000 ARG 1 cr C 0.380 HB2 32.277000000 34.990000000 37.722000000 ARG 1 h H 0.110 NH1 29.028000000 36.942000000 41.373000000 ARG 1 n2 N -0.560 HH12 29.583000000 37.492000000 40.710000000 ARG 1 hn H 0.280 HH11 28.039000000 37.029000000 41.647000000 ARG 1 hn H 0.280 NH2 29.138000000 35.301000000 42.885000000 ARG 1 n2 N -0.560 HH21 29.693000000 34.480000000 43.155000000 ARG 1 hn H 0.280 HH22 28.175000000 35.574000000 43.149000000 ARG 1 hn H 0.280 N 28.798000000 34.138000000 37.938000000 GLY 2 n N -0.500 HN 28.680000000 34.541000000 38.906000000 GLY 2 hn H 0.280 CA 27.806000000 34.264000000 36.851000000 GLY 2 cg C 0.020 HA1 27.066000000 35.048000000 37.116000000 GLY 2 h H 0.100 HA2 28.280000000 34.650000000 35.917000000 GLY 2 h H 0.100 C 26.986000000 33.000000000 36.374000000 GLY 2 c' C 0.380 O 26.615000000 32.864000000 35.215000000 GLY 2 o' O -0.380 N 26.672000000 32.085000000 37.352000000 ASP 3 n N -0.500 HN 26.917000000 32.425000000 38.292000000 ASP 3 hn H 0.280 CA 26.275000000 30.656000000 37.057000000 ASP 3 ca C 0.120 HA 26.283000000 30.213000000 38.068000000 ASP 3 h H 0.100 C 27.341000000 29.727000000 36.330000000 ASP 3 c' C 0.380 O 26.981000000 28.700000000 35.706000000 ASP 3 o' O -0.380 CB 24.788000000 30.571000000 36.597000000 ASP 3 c2 C -0.200 HB1 24.692000000 31.274000000 35.686000000 ASP 3 h H 0.100 HB2 24.544000000 29.611000000 36.150000000 ASP 3 h H 0.100 CG 23.682000000 31.005000000 37.546000000 ASP 3 c' C 0.380 OD1 22.557000000 30.490000000 37.631000000 ASP 3 o' O -0.350 OD2 24.079000000 32.024000000 38.401000000 ASP 3 oh O -0.380 HD2 23.202000000 32.459000000 38.631000000 ASP 3 ho H 0.350 C6 30.626000000 28.412000000 36.807000000 SAA 4 c1 C 0.050 H6 31.128000000 27.695000000 36.233000000 SAA 4 h H 0.100 O 31.664000000 29.245000000 37.418000000 SAA 4 o O -0.300 C3 31.822000000 28.897000000 38.772000000 SAA 4 c1 C 0.050 C2 32.443000000 30.053000000 39.661000000 SAA 4 c2 C -0.200 H21 33.438000000 30.203000000 39.447000000 SAA 4 h H 0.100 C1 31.542000000 31.313000000 39.776000000 SAA 4 c' C 0.380 O221 30.604000000 31.343000000 40.612000000 SAA 4 o' O -0.380 H22 32.433000000 29.624000000 40.742000000 SAA 4 h H 0.100 H3 32.506000000 28.030000000 38.787000000 SAA 4 h H 0.100 C4 30.419000000 28.430000000 39.253000000 SAA 4 c1 C -0.070 H4 29.847000000 29.308000000 39.578000000 SAA 4 h H 0.100 O4 30.500000000 27.513000000 40.345000000 SAA 4 oh O -0.380 HO4 29.596000000 27.316000000 40.616000000 SAA 4 ho H 0.350 C5 29.808000000 27.797000000 37.999000000 SAA 4 c1 C -0.070 H5 28.747000000 28.038000000 37.897000000 SAA 4 h H 0.100 O5 29.946000000 26.363000000 38.009000000 SAA 4 oh O -0.380 HO5 30.691000000 26.224000000 38.655000000 SAA 4 ho H 0.350 C7 29.748000000 29.268000000 35.808000000 SAA 4 c2 C 0.020 H71 29.327000000 28.563000000 35.062000000 SAA 4 h H 0.100 N 28.646000000 30.037000000 36.487000000 SAA 4 n N -0.500 HN 28.822000000 30.964000000 36.908000000 SAA 4 hn H 0.280 H72 30.358000000 29.993000000 35.331000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 37.012000000 43.018000000 47.646000000 ARG 1 n N -0.500 HN 37.432000000 43.669000000 48.274000000 ARG 1 hn H 0.280 CA 37.732000000 42.324000000 46.508000000 ARG 1 ca C 0.120 HA 37.185000000 42.588000000 45.606000000 ARG 1 h H 0.100 C 37.713000000 40.754000000 46.651000000 ARG 1 c' C 0.380 O 37.731000000 40.187000000 47.755000000 ARG 1 o' O -0.380 CB 39.142000000 42.966000000 46.380000000 ARG 1 c2 C -0.200 HB1 39.725000000 42.438000000 45.614000000 ARG 1 h H 0.110 HG1 41.103000000 42.858000000 47.383000000 ARG 1 h H 0.130 HG2 39.796000000 42.403000000 48.438000000 ARG 1 h H 0.130 CG 40.021000000 43.161000000 47.670000000 ARG 1 c2 C -0.200 HD1 41.048000000 44.956000000 48.347000000 ARG 1 h H 0.130 CD 39.992000000 44.570000000 48.214000000 ARG 1 c2 C -0.160 HD2 39.477000000 45.293000000 47.569000000 ARG 1 h H 0.130 NE 39.372000000 44.628000000 49.573000000 ARG 1 n N -0.560 CZ 39.852000000 44.054000000 50.673000000 ARG 1 cr C 0.380 HB2 39.000000000 43.976000000 45.891000000 ARG 1 h H 0.110 NH1 41.007000000 43.430000000 50.737000000 ARG 1 n2 N -0.560 HH12 41.432000000 43.341000000 49.805000000 ARG 1 hn H 0.280 HH11 41.302000000 43.083000000 51.630000000 ARG 1 hn H 0.280 NH2 39.127000000 44.122000000 51.755000000 ARG 1 n2 N -0.560 HH21 38.204000000 44.560000000 51.558000000 ARG 1 hn H 0.280 HH22 39.548000000 43.730000000 52.616000000 ARG 1 hn H 0.280 N 37.627000000 40.040000000 45.502000000 GLY 2 n N -0.500 HN 37.346000000 40.643000000 44.680000000 GLY 2 hn H 0.280 CA 37.715000000 38.551000000 45.421000000 GLY 2 cg C 0.020 HA1 37.013000000 38.173000000 44.606000000 GLY 2 h H 0.100 HA2 38.703000000 38.263000000 45.019000000 GLY 2 h H 0.100 C 37.421000000 37.703000000 46.681000000 GLY 2 c' C 0.380 O 38.086000000 36.699000000 46.942000000 GLY 2 o' O -0.380 N 36.367000000 38.097000000 47.493000000 ASP 3 n N -0.500 HN 35.966000000 38.990000000 47.171000000 ASP 3 hn H 0.280 CA 36.061000000 37.474000000 48.824000000 ASP 3 ca C 0.120 HA 35.017000000 37.847000000 49.023000000 ASP 3 h H 0.100 C 36.782000000 37.972000000 50.138000000 ASP 3 c' C 0.380 O 36.768000000 37.323000000 51.192000000 ASP 3 o' O -0.380 CB 35.799000000 35.919000000 48.693000000 ASP 3 c2 C -0.200 HB1 36.746000000 35.400000000 48.857000000 ASP 3 h H 0.100 HB2 35.141000000 35.569000000 49.499000000 ASP 3 h H 0.100 CG 35.206000000 35.414000000 47.354000000 ASP 3 c' C 0.380 OD1 35.855000000 35.000000000 46.408000000 ASP 3 o' O -0.350 OD2 33.801000000 35.461000000 47.365000000 ASP 3 oh O -0.380 HD2 33.554000000 34.915000000 46.621000000 ASP 3 ho H 0.350 C6 36.345000000 40.951000000 51.762000000 SAA 4 c1 C 0.050 H6 36.455000000 41.139000000 52.824000000 SAA 4 h H 0.100 O 36.413000000 42.204000000 51.087000000 SAA 4 o O -0.300 C3 35.101000000 42.551000000 50.576000000 SAA 4 c1 C 0.050 C2 35.202000000 43.405000000 49.266000000 SAA 4 c2 C -0.200 H21 35.670000000 44.333000000 49.443000000 SAA 4 h H 0.100 C1 35.761000000 42.657000000 48.033000000 SAA 4 c' C 0.380 O221 35.030000000 41.935000000 47.358000000 SAA 4 o' O -0.380 H22 34.111000000 43.657000000 48.981000000 SAA 4 h H 0.100 H3 34.623000000 43.096000000 51.382000000 SAA 4 h H 0.100 C4 34.351000000 41.212000000 50.360000000 SAA 4 c1 C -0.070 H4 34.599000000 40.805000000 49.372000000 SAA 4 h H 0.100 O4 32.947000000 41.377000000 50.496000000 SAA 4 oh O -0.380 HO4 32.553000000 40.500000000 50.349000000 SAA 4 ho H 0.350 C5 34.960000000 40.287000000 51.454000000 SAA 4 c1 C -0.070 H5 35.082000000 39.287000000 51.051000000 SAA 4 h H 0.100 O5 34.149000000 40.266000000 52.619000000 SAA 4 oh O -0.380 HO5 33.513000000 41.024000000 52.491000000 SAA 4 ho H 0.350 C7 37.583000000 40.024000000 51.345000000 SAA 4 c2 C 0.020 H71 37.759000000 39.334000000 52.179000000 SAA 4 h H 0.100 N 37.299000000 39.245000000 50.078000000 SAA 4 n N -0.500 HN 37.636000000 39.529000000 49.175000000 SAA 4 hn H 0.280 H72 38.414000000 40.646000000 51.166000000 SAA 4 h H 0.100 end end !DATE Sat Apr 20 14:35:41 2002 N 29.002000000 34.487000000 42.372000000 ARG 1 n N -0.500 HN 29.123000000 35.116000000 43.202000000 ARG 1 hn H 0.280 CA 28.829000000 35.027000000 41.001000000 ARG 1 ca C 0.120 HA 27.847000000 34.645000000 40.671000000 ARG 1 h H 0.100 C 29.925000000 34.536000000 39.985000000 ARG 1 c' C 0.380 O 31.056000000 34.176000000 40.320000000 ARG 1 o' O -0.380 CB 28.647000000 36.591000000 41.085000000 ARG 1 c2 C -0.200 HB1 27.766000000 36.892000000 40.544000000 ARG 1 h H 0.110 HG1 30.080000000 37.346000000 39.582000000 ARG 1 h H 0.130 HG2 30.761000000 37.285000000 41.198000000 ARG 1 h H 0.130 CG 29.838000000 37.529000000 40.670000000 ARG 1 c2 C -0.200 HD1 28.516000000 39.106000000 41.508000000 ARG 1 h H 0.130 CD 29.471000000 39.006000000 40.896000000 ARG 1 c2 C -0.160 HD2 30.272000000 39.553000000 41.390000000 ARG 1 h H 0.130 NE 29.223000000 39.676000000 39.560000000 ARG 1 n N -0.560 CZ 28.063000000 39.715000000 38.945000000 ARG 1 cr C 0.380 HB2 28.396000000 36.788000000 42.178000000 ARG 1 h H 0.110 NH1 26.940000000 39.158000000 39.396000000 ARG 1 n2 N -0.560 HH12 27.039000000 38.769000000 40.334000000 ARG 1 hn H 0.280 HH11 26.120000000 39.261000000 38.808000000 ARG 1 hn H 0.280 NH2 27.968000000 40.355000000 37.816000000 ARG 1 n2 N -0.560 HH21 28.914000000 40.727000000 37.565000000 ARG 1 hn H 0.280 HH22 27.085000000 40.342000000 37.334000000 ARG 1 hn H 0.280 N 29.528000000 34.433000000 38.659000000 GLY 2 n N -0.500 HN 28.528000000 34.484000000 38.524000000 GLY 2 hn H 0.280 CA 30.525000000 34.091000000 37.576000000 GLY 2 cg C 0.020 HA1 29.950000000 33.614000000 36.770000000 GLY 2 h H 0.100 HA2 30.932000000 35.038000000 37.148000000 GLY 2 h H 0.100 C 31.735000000 33.169000000 37.921000000 GLY 2 c' C 0.380 O 32.864000000 33.431000000 37.484000000 GLY 2 o' O -0.380 N 31.508000000 32.066000000 38.700000000 ASP 3 n N -0.500 HN 30.542000000 32.090000000 39.088000000 ASP 3 hn H 0.280 CA 32.547000000 31.103000000 39.159000000 ASP 3 ca C 0.120 HA 31.924000000 30.380000000 39.760000000 ASP 3 h H 0.100 C 33.587000000 31.514000000 40.321000000 ASP 3 c' C 0.380 O 34.587000000 30.903000000 40.535000000 ASP 3 o' O -0.380 CB 33.130000000 30.242000000 38.008000000 ASP 3 c2 C -0.200 HB1 33.390000000 29.229000000 38.389000000 ASP 3 h H 0.100 HB2 32.342000000 30.029000000 37.227000000 ASP 3 h H 0.100 CG 34.368000000 30.705000000 37.229000000 ASP 3 c' C 0.380 OD1 34.334000000 31.226000000 36.098000000 ASP 3 o' O -0.350 OD2 35.538000000 30.471000000 37.923000000 ASP 3 oh O -0.380 HD2 36.209000000 30.400000000 37.202000000 ASP 3 ho H 0.350 C6 33.260000000 32.428000000 43.681000000 SAA 4 c1 C 0.050 H6 33.879000000 32.642000000 44.455000000 SAA 4 h H 0.100 O 32.032000000 33.169000000 43.834000000 SAA 4 o O -0.300 C3 31.010000000 32.251000000 44.359000000 SAA 4 c1 C 0.050 C2 29.564000000 32.843000000 44.108000000 SAA 4 c2 C -0.200 H21 29.366000000 33.587000000 44.829000000 SAA 4 h H 0.100 C1 29.241000000 33.201000000 42.659000000 SAA 4 c' C 0.380 O221 29.085000000 32.295000000 41.780000000 SAA 4 o' O -0.380 H22 28.873000000 31.970000000 44.386000000 SAA 4 h H 0.100 H3 31.189000000 32.138000000 45.402000000 SAA 4 h H 0.100 C4 31.312000000 30.931000000 43.623000000 SAA 4 c1 C -0.070 H4 30.903000000 30.937000000 42.623000000 SAA 4 h H 0.100 O4 30.815000000 29.809000000 44.351000000 SAA 4 oh O -0.380 HO4 31.010000000 29.025000000 43.895000000 SAA 4 ho H 0.350 C5 32.875000000 30.921000000 43.528000000 SAA 4 c1 C -0.070 H5 33.178000000 30.482000000 42.575000000 SAA 4 h H 0.100 O5 33.430000000 30.156000000 44.582000000 SAA 4 oh O -0.380 HO5 32.751000000 30.071000000 45.221000000 SAA 4 ho H 0.350 C7 33.988000000 32.969000000 42.326000000 SAA 4 c2 C 0.020 H71 34.998000000 32.543000000 42.342000000 SAA 4 h H 0.100 N 33.172000000 32.589000000 41.115000000 SAA 4 n N -0.500 HN 32.482000000 33.179000000 40.702000000 SAA 4 hn H 0.280 H72 34.012000000 33.995000000 42.375000000 SAA 4 h H 0.100 end end