!!index array str "stbt" !entry.stbt.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "N" "N3" 0 1 131072 1 7 0.141400 "H1" "H" 0 1 131072 2 1 0.199700 "H2" "H" 0 1 131072 3 1 0.199700 "H3" "H" 0 1 131072 4 1 0.199700 "CA" "CT" 0 1 131072 5 6 0.096200 "HA" "HP" 0 1 131072 6 1 0.088900 "CB" "CT" 0 1 131072 7 6 -0.059700 "HB1" "HC" 0 1 131072 8 1 0.030000 "HB2" "HC" 0 1 131072 9 1 0.030000 "HB3" "HC" 0 1 131072 10 1 0.030000 "C" "C" 0 1 131072 11 6 0.616300 "O" "O" 0 1 131072 12 8 -0.572200 "N" "N" 0 2 131072 1 7 -0.415700 "H" "H" 0 2 131072 2 1 0.271900 "CA" "CT" 0 2 131072 3 6 -0.025200 "HA2" "H1" 0 2 131072 4 1 0.069800 "HA3" "H1" 0 2 131072 5 1 0.069800 "C" "C" 0 2 131072 6 6 0.597300 "O" "O" 0 2 131072 7 8 -0.567900 "N" "N" 0 3 131072 1 7 -0.415700 "H" "H" 0 3 131072 2 1 0.271900 "CA" "CT" 0 3 131072 3 6 -0.059700 "HA" "H1" 0 3 131072 4 1 0.086900 "CB" "CT" 0 3 131072 5 6 0.130300 "HB" "HC" 0 3 131072 6 1 0.018700 "CG2" "CT" 0 3 131072 7 6 -0.320400 "HG21" "HC" 0 3 131072 8 1 0.088200 "HG22" "HC" 0 3 131072 9 1 0.088200 "HG23" "HC" 0 3 131072 10 1 0.088200 "CG1" "CT" 0 3 131072 11 6 -0.043000 "HG12" "HC" 0 3 131072 12 1 0.023600 "HG13" "HC" 0 3 131072 13 1 0.023600 "CD1" "CT" 0 3 131072 14 6 -0.066000 "HD11" "HC" 0 3 131072 15 1 0.018600 "HD12" "HC" 0 3 131072 16 1 0.018600 "HD13" "HC" 0 3 131072 17 1 0.018600 "C" "C" 0 3 131072 18 6 0.597300 "O" "O" 0 3 131072 19 8 -0.567900 "N" "N" 0 4 131072 1 7 -0.415700 "H" "H" 0 4 131072 2 1 0.271900 "CA" "CT" 0 4 131072 3 6 -0.038900 "HA" "H1" 0 4 131072 4 1 0.100700 "CB" "CT" 0 4 131072 5 6 0.365400 "HB" "H1" 0 4 131072 6 1 0.004300 "CG2" "CT" 0 4 131072 7 6 -0.243800 "HG21" "HC" 0 4 131072 8 1 0.064200 "HG22" "HC" 0 4 131072 9 1 0.064200 "HG23" "HC" 0 4 131072 10 1 0.064200 "OG1" "OH" 0 4 131072 11 8 -0.676100 "HG1" "HO" 0 4 131072 12 1 0.410200 "C" "C" 0 4 131072 13 6 0.597300 "O" "O" 0 4 131072 14 8 -0.567900 "N" "N" 0 5 131072 1 7 -0.415700 "H" "H" 0 5 131072 2 1 0.271900 "CA" "CT" 0 5 131072 3 6 -0.025200 "HA2" "H1" 0 5 131072 4 1 0.069800 "HA3" "H1" 0 5 131072 5 1 0.069800 "C" "C" 0 5 131072 6 6 0.597300 "O" "O" 0 5 131072 7 8 -0.567900 "N" "N" 0 6 131072 1 7 -0.415700 "H" "H" 0 6 131072 2 1 0.271900 "CA" "CT" 0 6 131072 3 6 -0.038900 "HA" "H1" 0 6 131072 4 1 0.100700 "CB" "CT" 0 6 131072 5 6 0.365400 "HB" "H1" 0 6 131072 6 1 0.004300 "CG2" "CT" 0 6 131072 7 6 -0.243800 "HG21" "HC" 0 6 131072 8 1 0.064200 "HG22" "HC" 0 6 131072 9 1 0.064200 "HG23" "HC" 0 6 131072 10 1 0.064200 "OG1" "OH" 0 6 131072 11 8 -0.676100 "HG1" "HO" 0 6 131072 12 1 0.410200 "C" "C" 0 6 131072 13 6 0.597300 "O" "O" 0 6 131072 14 8 -0.567900 "N" "N" 0 7 131072 1 7 -0.415700 "H" "H" 0 7 131072 2 1 0.271900 "CA" "CT" 0 7 131072 3 6 -0.027500 "HA" "H1" 0 7 131072 4 1 0.112300 "CB" "CT" 0 7 131072 5 6 -0.005000 "HB2" "HC" 0 7 131072 6 1 0.033900 "HB3" "HC" 0 7 131072 7 1 0.033900 "CG" "C*" 0 7 131072 8 6 -0.141500 "CD1" "CW" 0 7 131072 9 6 -0.163800 "HD1" "H4" 0 7 131072 10 1 0.206200 "NE1" "NA" 0 7 131072 11 7 -0.341800 "HE1" "H" 0 7 131072 12 1 0.341200 "CE2" "CN" 0 7 131072 13 6 0.138000 "CZ2" "CA" 0 7 131072 14 6 -0.260100 "HZ2" "HA" 0 7 131072 15 1 0.157200 "CH2" "CA" 0 7 131072 16 6 -0.113400 "HH2" "HA" 0 7 131072 17 1 0.141700 "CZ3" "CA" 0 7 131072 18 6 -0.197200 "HZ3" "HA" 0 7 131072 19 1 0.144700 "CE3" "CA" 0 7 131072 20 6 -0.238700 "HE3" "HA" 0 7 131072 21 1 0.170000 "CD2" "CB" 0 7 131072 22 6 0.124300 "C" "C" 0 7 131072 23 6 0.597300 "O" "O" 0 7 131072 24 8 -0.567900 "N" "N" 0 8 131072 1 7 -0.415700 "H" "H" 0 8 131072 2 1 0.271900 "CA" "CT" 0 8 131072 3 6 -0.001400 "HA" "H1" 0 8 131072 4 1 0.087600 "CB" "CT" 0 8 131072 5 6 -0.015200 "HB2" "HC" 0 8 131072 6 1 0.029500 "HB3" "HC" 0 8 131072 7 1 0.029500 "CG" "CA" 0 8 131072 8 6 -0.001100 "CD1" "CA" 0 8 131072 9 6 -0.190600 "HD1" "HA" 0 8 131072 10 1 0.169900 "CE1" "CA" 0 8 131072 11 6 -0.234100 "HE1" "HA" 0 8 131072 12 1 0.165600 "CZ" "C" 0 8 131072 13 6 0.322600 "OH" "OH" 0 8 131072 14 8 -0.557900 "HH" "HO" 0 8 131072 15 1 0.399200 "CE2" "CA" 0 8 131072 16 6 -0.234100 "HE2" "HA" 0 8 131072 17 1 0.165600 "CD2" "CA" 0 8 131072 18 6 -0.190600 "HD2" "HA" 0 8 131072 19 1 0.169900 "C" "C" 0 8 131072 20 6 0.597300 "O" "O" 0 8 131072 21 8 -0.567900 "N" "N" 0 9 131072 1 7 -0.415700 "H" "H" 0 9 131072 2 1 0.271900 "CA" "CT" 0 9 131072 3 6 0.014300 "HA" "H1" 0 9 131072 4 1 0.104800 "CB" "CT" 0 9 131072 5 6 -0.204100 "HB2" "HC" 0 9 131072 6 1 0.079700 "HB3" "HC" 0 9 131072 7 1 0.079700 "CG" "C" 0 9 131072 8 6 0.713000 "OD1" "O" 0 9 131072 9 8 -0.593100 "ND2" "N" 0 9 131072 10 7 -0.919100 "HD21" "H" 0 9 131072 11 1 0.419600 "HD22" "H" 0 9 131072 12 1 0.419600 "C" "C" 0 9 131072 13 6 0.597300 "O" "O" 0 9 131072 14 8 -0.567900 "N" "N" 0 10 131072 1 7 -0.415700 "H" "H" 0 10 131072 2 1 0.271900 "CA" "CT" 0 10 131072 3 6 -0.003100 "HA" "H1" 0 10 131072 4 1 0.085000 "CB" "CT" 0 10 131072 5 6 -0.003600 "HB2" "HC" 0 10 131072 6 1 0.017100 "HB3" "HC" 0 10 131072 7 1 0.017100 "CG" "CT" 0 10 131072 8 6 -0.064500 "HG2" "HC" 0 10 131072 9 1 0.035200 "HG3" "HC" 0 10 131072 10 1 0.035200 "CD" "C" 0 10 131072 11 6 0.695100 "OE1" "O" 0 10 131072 12 8 -0.608600 "NE2" "N" 0 10 131072 13 7 -0.940700 "HE21" "H" 0 10 131072 14 1 0.425100 "HE22" "H" 0 10 131072 15 1 0.425100 "C" "C" 0 10 131072 16 6 0.597300 "O" "O" 0 10 131072 17 8 -0.567900 "N" "N" 0 11 131072 1 7 -0.415700 "H" "H" 0 11 131072 2 1 0.271900 "CA" "CT" 0 11 131072 3 6 -0.051800 "HA" "H1" 0 11 131072 4 1 0.092200 "CB" "CT" 0 11 131072 5 6 -0.110200 "HB2" "HC" 0 11 131072 6 1 0.045700 "HB3" "HC" 0 11 131072 7 1 0.045700 "CG" "CT" 0 11 131072 8 6 0.353100 "HG" "HC" 0 11 131072 9 1 -0.036100 "CD1" "CT" 0 11 131072 10 6 -0.412100 "HD11" "HC" 0 11 131072 11 1 0.100000 "HD12" "HC" 0 11 131072 12 1 0.100000 "HD13" "HC" 0 11 131072 13 1 0.100000 "CD2" "CT" 0 11 131072 14 6 -0.412100 "HD21" "HC" 0 11 131072 15 1 0.100000 "HD22" "HC" 0 11 131072 16 1 0.100000 "HD23" "HC" 0 11 131072 17 1 0.100000 "C" "C" 0 11 131072 18 6 0.597300 "O" "O" 0 11 131072 19 8 -0.567900 "N" "N" 0 12 131072 1 7 -0.415700 "H" "H" 0 12 131072 2 1 0.271900 "CA" "CT" 0 12 131072 3 6 -0.025200 "HA2" "H1" 0 12 131072 4 1 0.069800 "HA3" "H1" 0 12 131072 5 1 0.069800 "C" "C" 0 12 131072 6 6 0.597300 "O" "O" 0 12 131072 7 8 -0.567900 "N" "N" 0 13 131072 1 7 -0.415700 "H" "H" 0 13 131072 2 1 0.271900 "CA" "CT" 0 13 131072 3 6 -0.024900 "HA" "H1" 0 13 131072 4 1 0.084300 "CB" "CT" 0 13 131072 5 6 0.211700 "HB2" "H1" 0 13 131072 6 1 0.035200 "HB3" "H1" 0 13 131072 7 1 0.035200 "OG" "OH" 0 13 131072 8 8 -0.654600 "HG" "HO" 0 13 131072 9 1 0.427500 "C" "C" 0 13 131072 10 6 0.597300 "O" "O" 0 13 131072 11 8 -0.567900 "N" "N" 0 14 131072 1 7 -0.415700 "H" "H" 0 14 131072 2 1 0.271900 "CA" "CT" 0 14 131072 3 6 -0.038900 "HA" "H1" 0 14 131072 4 1 0.100700 "CB" "CT" 0 14 131072 5 6 0.365400 "HB" "H1" 0 14 131072 6 1 0.004300 "CG2" "CT" 0 14 131072 7 6 -0.243800 "HG21" "HC" 0 14 131072 8 1 0.064200 "HG22" "HC" 0 14 131072 9 1 0.064200 "HG23" "HC" 0 14 131072 10 1 0.064200 "OG1" "OH" 0 14 131072 11 8 -0.676100 "HG1" "HO" 0 14 131072 12 1 0.410200 "C" "C" 0 14 131072 13 6 0.597300 "O" "O" 0 14 131072 14 8 -0.567900 "N" "N" 0 15 131072 1 7 -0.415700 "H" "H" 0 15 131072 2 1 0.271900 "CA" "CT" 0 15 131072 3 6 -0.002400 "HA" "H1" 0 15 131072 4 1 0.097800 "CB" "CT" 0 15 131072 5 6 -0.034300 "HB2" "HC" 0 15 131072 6 1 0.029500 "HB3" "HC" 0 15 131072 7 1 0.029500 "CG" "CA" 0 15 131072 8 6 0.011800 "CD1" "CA" 0 15 131072 9 6 -0.125600 "HD1" "HA" 0 15 131072 10 1 0.133000 "CE1" "CA" 0 15 131072 11 6 -0.170400 "HE1" "HA" 0 15 131072 12 1 0.143000 "CZ" "CA" 0 15 131072 13 6 -0.107200 "HZ" "HA" 0 15 131072 14 1 0.129700 "CE2" "CA" 0 15 131072 15 6 -0.170400 "HE2" "HA" 0 15 131072 16 1 0.143000 "CD2" "CA" 0 15 131072 17 6 -0.125600 "HD2" "HA" 0 15 131072 18 1 0.133000 "C" "C" 0 15 131072 19 6 0.597300 "O" "O" 0 15 131072 20 8 -0.567900 "N" "N" 0 16 131072 1 7 -0.415700 "H" "H" 0 16 131072 2 1 0.271900 "CA" "CT" 0 16 131072 3 6 -0.059700 "HA" "H1" 0 16 131072 4 1 0.086900 "CB" "CT" 0 16 131072 5 6 0.130300 "HB" "HC" 0 16 131072 6 1 0.018700 "CG2" "CT" 0 16 131072 7 6 -0.320400 "HG21" "HC" 0 16 131072 8 1 0.088200 "HG22" "HC" 0 16 131072 9 1 0.088200 "HG23" "HC" 0 16 131072 10 1 0.088200 "CG1" "CT" 0 16 131072 11 6 -0.043000 "HG12" "HC" 0 16 131072 12 1 0.023600 "HG13" "HC" 0 16 131072 13 1 0.023600 "CD1" "CT" 0 16 131072 14 6 -0.066000 "HD11" "HC" 0 16 131072 15 1 0.018600 "HD12" "HC" 0 16 131072 16 1 0.018600 "HD13" "HC" 0 16 131072 17 1 0.018600 "C" "C" 0 16 131072 18 6 0.597300 "O" "O" 0 16 131072 19 8 -0.567900 "N" "N" 0 17 131072 1 7 -0.415700 "H" "H" 0 17 131072 2 1 0.271900 "CA" "CT" 0 17 131072 3 6 -0.087500 "HA" "H1" 0 17 131072 4 1 0.096900 "CB" "CT" 0 17 131072 5 6 0.298500 "HB" "HC" 0 17 131072 6 1 -0.029700 "CG1" "CT" 0 17 131072 7 6 -0.319200 "HG11" "HC" 0 17 131072 8 1 0.079100 "HG12" "HC" 0 17 131072 9 1 0.079100 "HG13" "HC" 0 17 131072 10 1 0.079100 "CG2" "CT" 0 17 131072 11 6 -0.319200 "HG21" "HC" 0 17 131072 12 1 0.079100 "HG22" "HC" 0 17 131072 13 1 0.079100 "HG23" "HC" 0 17 131072 14 1 0.079100 "C" "C" 0 17 131072 15 6 0.597300 "O" "O" 0 17 131072 16 8 -0.567900 "N" "N" 0 18 131072 1 7 -0.415700 "H" "H" 0 18 131072 2 1 0.271900 "CA" "CT" 0 18 131072 3 6 -0.038900 "HA" "H1" 0 18 131072 4 1 0.100700 "CB" "CT" 0 18 131072 5 6 0.365400 "HB" "H1" 0 18 131072 6 1 0.004300 "CG2" "CT" 0 18 131072 7 6 -0.243800 "HG21" "HC" 0 18 131072 8 1 0.064200 "HG22" "HC" 0 18 131072 9 1 0.064200 "HG23" "HC" 0 18 131072 10 1 0.064200 "OG1" "OH" 0 18 131072 11 8 -0.676100 "HG1" "HO" 0 18 131072 12 1 0.410200 "C" "C" 0 18 131072 13 6 0.597300 "O" "O" 0 18 131072 14 8 -0.567900 "N" "N" 0 19 131072 1 7 -0.415700 "H" "H" 0 19 131072 2 1 0.271900 "CA" "CT" 0 19 131072 3 6 0.033700 "HA" "H1" 0 19 131072 4 1 0.082300 "CB" "CT" 0 19 131072 5 6 -0.182500 "HB1" "HC" 0 19 131072 6 1 0.060300 "HB2" "HC" 0 19 131072 7 1 0.060300 "HB3" "HC" 0 19 131072 8 1 0.060300 "C" "C" 0 19 131072 9 6 0.597300 "O" "O" 0 19 131072 10 8 -0.567900 "N" "N" 0 20 131072 1 7 -0.415700 "H" "H" 0 20 131072 2 1 0.271900 "CA" "CT" 0 20 131072 3 6 -0.025200 "HA2" "H1" 0 20 131072 4 1 0.069800 "HA3" "H1" 0 20 131072 5 1 0.069800 "C" "C" 0 20 131072 6 6 0.597300 "O" "O" 0 20 131072 7 8 -0.567900 "N" "N" 0 21 131072 1 7 -0.415700 "H" "H" 0 21 131072 2 1 0.271900 "CA" "CT" 0 21 131072 3 6 0.033700 "HA" "H1" 0 21 131072 4 1 0.082300 "CB" "CT" 0 21 131072 5 6 -0.182500 "HB1" "HC" 0 21 131072 6 1 0.060300 "HB2" "HC" 0 21 131072 7 1 0.060300 "HB3" "HC" 0 21 131072 8 1 0.060300 "C" "C" 0 21 131072 9 6 0.597300 "O" "O" 0 21 131072 10 8 -0.567900 "N" "N" 0 22 131072 1 7 -0.516300 "H" "H" 0 22 131072 2 1 0.293600 "CA" "CT" 0 22 131072 3 6 0.038100 "HA" "H1" 0 22 131072 4 1 0.088000 "CB" "CT" 0 22 131072 5 6 -0.030300 "HB2" "HC" 0 22 131072 6 1 -0.012200 "HB3" "HC" 0 22 131072 7 1 -0.012200 "CG" "C" 0 22 131072 8 6 0.799400 "OD1" "O2" 0 22 131072 9 8 -0.801400 "OD2" "O2" 0 22 131072 10 8 -0.801400 "C" "C" 0 22 131072 11 6 0.536600 "O" "O" 0 22 131072 12 8 -0.581900 "N" "N" 0 23 131072 1 7 -0.415700 "H" "H" 0 23 131072 2 1 0.271900 "CA" "CT" 0 23 131072 3 6 -0.025200 "HA2" "H1" 0 23 131072 4 1 0.069800 "HA3" "H1" 0 23 131072 5 1 0.069800 "C" "C" 0 23 131072 6 6 0.597300 "O" "O" 0 23 131072 7 8 -0.567900 "N" "N" 0 24 131072 1 7 -0.415700 "H" "H" 0 24 131072 2 1 0.271900 "CA" "CT" 0 24 131072 3 6 0.033700 "HA" "H1" 0 24 131072 4 1 0.082300 "CB" "CT" 0 24 131072 5 6 -0.182500 "HB1" "HC" 0 24 131072 6 1 0.060300 "HB2" "HC" 0 24 131072 7 1 0.060300 "HB3" "HC" 0 24 131072 8 1 0.060300 "C" "C" 0 24 131072 9 6 0.597300 "O" "O" 0 24 131072 10 8 -0.567900 "N" "N" 0 25 131072 1 7 -0.415700 "H" "H" 0 25 131072 2 1 0.271900 "CA" "CT" 0 25 131072 3 6 -0.051800 "HA" "H1" 0 25 131072 4 1 0.092200 "CB" "CT" 0 25 131072 5 6 -0.110200 "HB2" "HC" 0 25 131072 6 1 0.045700 "HB3" "HC" 0 25 131072 7 1 0.045700 "CG" "CT" 0 25 131072 8 6 0.353100 "HG" "HC" 0 25 131072 9 1 -0.036100 "CD1" "CT" 0 25 131072 10 6 -0.412100 "HD11" "HC" 0 25 131072 11 1 0.100000 "HD12" "HC" 0 25 131072 12 1 0.100000 "HD13" "HC" 0 25 131072 13 1 0.100000 "CD2" "CT" 0 25 131072 14 6 -0.412100 "HD21" "HC" 0 25 131072 15 1 0.100000 "HD22" "HC" 0 25 131072 16 1 0.100000 "HD23" "HC" 0 25 131072 17 1 0.100000 "C" "C" 0 25 131072 18 6 0.597300 "O" "O" 0 25 131072 19 8 -0.567900 "N" "N" 0 26 131072 1 7 -0.415700 "H" "H" 0 26 131072 2 1 0.271900 "CA" "CT" 0 26 131072 3 6 -0.038900 "HA" "H1" 0 26 131072 4 1 0.100700 "CB" "CT" 0 26 131072 5 6 0.365400 "HB" "H1" 0 26 131072 6 1 0.004300 "CG2" "CT" 0 26 131072 7 6 -0.243800 "HG21" "HC" 0 26 131072 8 1 0.064200 "HG22" "HC" 0 26 131072 9 1 0.064200 "HG23" "HC" 0 26 131072 10 1 0.064200 "OG1" "OH" 0 26 131072 11 8 -0.676100 "HG1" "HO" 0 26 131072 12 1 0.410200 "C" "C" 0 26 131072 13 6 0.597300 "O" "O" 0 26 131072 14 8 -0.567900 "N" "N" 0 27 131072 1 7 -0.415700 "H" "H" 0 27 131072 2 1 0.271900 "CA" "CT" 0 27 131072 3 6 -0.025200 "HA2" "H1" 0 27 131072 4 1 0.069800 "HA3" "H1" 0 27 131072 5 1 0.069800 "C" "C" 0 27 131072 6 6 0.597300 "O" "O" 0 27 131072 7 8 -0.567900 "N" "N" 0 28 131072 1 7 -0.415700 "H" "H" 0 28 131072 2 1 0.271900 "CA" "CT" 0 28 131072 3 6 -0.038900 "HA" "H1" 0 28 131072 4 1 0.100700 "CB" "CT" 0 28 131072 5 6 0.365400 "HB" "H1" 0 28 131072 6 1 0.004300 "CG2" "CT" 0 28 131072 7 6 -0.243800 "HG21" "HC" 0 28 131072 8 1 0.064200 "HG22" "HC" 0 28 131072 9 1 0.064200 "HG23" "HC" 0 28 131072 10 1 0.064200 "OG1" "OH" 0 28 131072 11 8 -0.676100 "HG1" "HO" 0 28 131072 12 1 0.410200 "C" "C" 0 28 131072 13 6 0.597300 "O" "O" 0 28 131072 14 8 -0.567900 "N" "N" 0 29 131072 1 7 -0.415700 "H" "H" 0 29 131072 2 1 0.271900 "CA" "CT" 0 29 131072 3 6 -0.001400 "HA" "H1" 0 29 131072 4 1 0.087600 "CB" "CT" 0 29 131072 5 6 -0.015200 "HB2" "HC" 0 29 131072 6 1 0.029500 "HB3" "HC" 0 29 131072 7 1 0.029500 "CG" "CA" 0 29 131072 8 6 -0.001100 "CD1" "CA" 0 29 131072 9 6 -0.190600 "HD1" "HA" 0 29 131072 10 1 0.169900 "CE1" "CA" 0 29 131072 11 6 -0.234100 "HE1" "HA" 0 29 131072 12 1 0.165600 "CZ" "C" 0 29 131072 13 6 0.322600 "OH" "OH" 0 29 131072 14 8 -0.557900 "HH" "HO" 0 29 131072 15 1 0.399200 "CE2" "CA" 0 29 131072 16 6 -0.234100 "HE2" "HA" 0 29 131072 17 1 0.165600 "CD2" "CA" 0 29 131072 18 6 -0.190600 "HD2" "HA" 0 29 131072 19 1 0.169900 "C" "C" 0 29 131072 20 6 0.597300 "O" "O" 0 29 131072 21 8 -0.567900 "N" "N" 0 30 131072 1 7 -0.516300 "H" "H" 0 30 131072 2 1 0.293600 "CA" "CT" 0 30 131072 3 6 0.039700 "HA" "H1" 0 30 131072 4 1 0.110500 "CB" "CT" 0 30 131072 5 6 0.056000 "HB2" "HC" 0 30 131072 6 1 -0.017300 "HB3" "HC" 0 30 131072 7 1 -0.017300 "CG" "CT" 0 30 131072 8 6 0.013600 "HG2" "HC" 0 30 131072 9 1 -0.042500 "HG3" "HC" 0 30 131072 10 1 -0.042500 "CD" "C" 0 30 131072 11 6 0.805400 "OE1" "O2" 0 30 131072 12 8 -0.818800 "OE2" "O2" 0 30 131072 13 8 -0.818800 "C" "C" 0 30 131072 14 6 0.536600 "O" "O" 0 30 131072 15 8 -0.581900 "N" "N" 0 31 131072 1 7 -0.415700 "H" "H" 0 31 131072 2 1 0.271900 "CA" "CT" 0 31 131072 3 6 -0.024900 "HA" "H1" 0 31 131072 4 1 0.084300 "CB" "CT" 0 31 131072 5 6 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0.340000 "HZ2" "H" 0 118 131072 19 1 0.340000 "HZ3" "H" 0 118 131072 20 1 0.340000 "C" "C" 0 118 131072 21 6 0.734100 "O" "O" 0 118 131072 22 8 -0.589400 "N" "N" 0 119 131072 1 7 -0.382100 "H" "H" 0 119 131072 2 1 0.268100 "CA" "CT" 0 119 131072 3 6 -0.343800 "HA" "H1" 0 119 131072 4 1 0.143800 "CB" "CT" 0 119 131072 5 6 0.194000 "HB" "HC" 0 119 131072 6 1 0.030800 "CG1" "CT" 0 119 131072 7 6 -0.306400 "HG11" "HC" 0 119 131072 8 1 0.083600 "HG12" "HC" 0 119 131072 9 1 0.083600 "HG13" "HC" 0 119 131072 10 1 0.083600 "CG2" "CT" 0 119 131072 11 6 -0.306400 "HG21" "HC" 0 119 131072 12 1 0.083600 "HG22" "HC" 0 119 131072 13 1 0.083600 "HG23" "HC" 0 119 131072 14 1 0.083600 "C" "C" 0 119 131072 15 6 0.835000 "O" "O2" 0 119 131072 16 8 -0.817300 "OXT" "O2" 0 119 131072 17 8 -0.817300 "N" "N3" 0 120 131072 1 7 0.141400 "H1" "H" 0 120 131072 2 1 0.199700 "H2" "H" 0 120 131072 3 1 0.199700 "H3" "H" 0 120 131072 4 1 0.199700 "CA" "CT" 0 120 131072 5 6 0.096200 "HA" "HP" 0 120 131072 6 1 0.088900 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0.064200 "OG1" "OH" 0 133 131072 11 8 -0.676100 "HG1" "HO" 0 133 131072 12 1 0.410200 "C" "C" 0 133 131072 13 6 0.597300 "O" "O" 0 133 131072 14 8 -0.567900 "N" "N" 0 134 131072 1 7 -0.415700 "H" "H" 0 134 131072 2 1 0.271900 "CA" "CT" 0 134 131072 3 6 -0.002400 "HA" "H1" 0 134 131072 4 1 0.097800 "CB" "CT" 0 134 131072 5 6 -0.034300 "HB2" "HC" 0 134 131072 6 1 0.029500 "HB3" "HC" 0 134 131072 7 1 0.029500 "CG" "CA" 0 134 131072 8 6 0.011800 "CD1" "CA" 0 134 131072 9 6 -0.125600 "HD1" "HA" 0 134 131072 10 1 0.133000 "CE1" "CA" 0 134 131072 11 6 -0.170400 "HE1" "HA" 0 134 131072 12 1 0.143000 "CZ" "CA" 0 134 131072 13 6 -0.107200 "HZ" "HA" 0 134 131072 14 1 0.129700 "CE2" "CA" 0 134 131072 15 6 -0.170400 "HE2" "HA" 0 134 131072 16 1 0.143000 "CD2" "CA" 0 134 131072 17 6 -0.125600 "HD2" "HA" 0 134 131072 18 1 0.133000 "C" "C" 0 134 131072 19 6 0.597300 "O" "O" 0 134 131072 20 8 -0.567900 "N" "N" 0 135 131072 1 7 -0.415700 "H" "H" 0 135 131072 2 1 0.271900 "CA" "CT" 0 135 131072 3 6 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0.060300 "C" "C" 0 168 131072 9 6 0.597300 "O" "O" 0 168 131072 10 8 -0.567900 "N" "N" 0 169 131072 1 7 -0.254800 "CD" "CT" 0 169 131072 2 6 0.019200 "HD2" "H1" 0 169 131072 3 1 0.039100 "HD3" "H1" 0 169 131072 4 1 0.039100 "CG" "CT" 0 169 131072 5 6 0.018900 "HG2" "HC" 0 169 131072 6 1 0.021300 "HG3" "HC" 0 169 131072 7 1 0.021300 "CB" "CT" 0 169 131072 8 6 -0.007000 "HB2" "HC" 0 169 131072 9 1 0.025300 "HB3" "HC" 0 169 131072 10 1 0.025300 "CA" "CT" 0 169 131072 11 6 -0.026600 "HA" "H1" 0 169 131072 12 1 0.064100 "C" "C" 0 169 131072 13 6 0.589600 "O" "O" 0 169 131072 14 8 -0.574800 "N" "N" 0 170 131072 1 7 -0.415700 "H" "H" 0 170 131072 2 1 0.271900 "CA" "CT" 0 170 131072 3 6 0.033700 "HA" "H1" 0 170 131072 4 1 0.082300 "CB" "CT" 0 170 131072 5 6 -0.182500 "HB1" "HC" 0 170 131072 6 1 0.060300 "HB2" "HC" 0 170 131072 7 1 0.060300 "HB3" "HC" 0 170 131072 8 1 0.060300 "C" "C" 0 170 131072 9 6 0.597300 "O" "O" 0 170 131072 10 8 -0.567900 "N" "N" 0 171 131072 1 7 -0.415700 "H" "H" 0 171 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0.417000 "H2" "HW" 0 683 131072 3 1 0.417000 "O" "OW" 0 684 131072 1 8 -0.834000 "H1" "HW" 0 684 131072 2 1 0.417000 "H2" "HW" 0 684 131072 3 1 0.417000 "O" "OW" 0 685 131072 1 8 -0.834000 "H1" "HW" 0 685 131072 2 1 0.417000 "H2" "HW" 0 685 131072 3 1 0.417000 "O" "OW" 0 686 131072 1 8 -0.834000 "H1" "HW" 0 686 131072 2 1 0.417000 "H2" "HW" 0 686 131072 3 1 0.417000 "O" "OW" 0 687 131072 1 8 -0.834000 "H1" "HW" 0 687 131072 2 1 0.417000 "H2" "HW" 0 687 131072 3 1 0.417000 "O" "OW" 0 688 131072 1 8 -0.834000 "H1" "HW" 0 688 131072 2 1 0.417000 "H2" "HW" 0 688 131072 3 1 0.417000 "O" "OW" 0 689 131072 1 8 -0.834000 "H1" "HW" 0 689 131072 2 1 0.417000 "H2" "HW" 0 689 131072 3 1 0.417000 "O" "OW" 0 690 131072 1 8 -0.834000 "H1" "HW" 0 690 131072 2 1 0.417000 "H2" "HW" 0 690 131072 3 1 0.417000 "O" "OW" 0 691 131072 1 8 -0.834000 "H1" "HW" 0 691 131072 2 1 0.417000 "H2" "HW" 0 691 131072 3 1 0.417000 "O" "OW" 0 692 131072 1 8 -0.834000 "H1" "HW" 0 692 131072 2 1 0.417000 "H2" "HW" 0 692 131072 3 1 0.417000 "O" "OW" 0 693 131072 1 8 -0.834000 "H1" "HW" 0 693 131072 2 1 0.417000 "H2" "HW" 0 693 131072 3 1 0.417000 "O" "OW" 0 694 131072 1 8 -0.834000 "H1" "HW" 0 694 131072 2 1 0.417000 "H2" "HW" 0 694 131072 3 1 0.417000 "O" "OW" 0 695 131072 1 8 -0.834000 "H1" "HW" 0 695 131072 2 1 0.417000 "H2" "HW" 0 695 131072 3 1 0.417000 "O" "OW" 0 696 131072 1 8 -0.834000 "H1" "HW" 0 696 131072 2 1 0.417000 "H2" "HW" 0 696 131072 3 1 0.417000 "O" "OW" 0 697 131072 1 8 -0.834000 "H1" "HW" 0 697 131072 2 1 0.417000 "H2" "HW" 0 697 131072 3 1 0.417000 "O" "OW" 0 698 131072 1 8 -0.834000 "H1" "HW" 0 698 131072 2 1 0.417000 "H2" "HW" 0 698 131072 3 1 0.417000 "O" "OW" 0 699 131072 1 8 -0.834000 "H1" "HW" 0 699 131072 2 1 0.417000 "H2" "HW" 0 699 131072 3 1 0.417000 "O" "OW" 0 700 131072 1 8 -0.834000 "H1" "HW" 0 700 131072 2 1 0.417000 "H2" "HW" 0 700 131072 3 1 0.417000 "O" "OW" 0 701 131072 1 8 -0.834000 "H1" "HW" 0 701 131072 2 1 0.417000 "H2" "HW" 0 701 131072 3 1 0.417000 "O" "OW" 0 702 131072 1 8 -0.834000 "H1" "HW" 0 702 131072 2 1 0.417000 "H2" "HW" 0 702 131072 3 1 0.417000 "O" "OW" 0 703 131072 1 8 -0.834000 "H1" "HW" 0 703 131072 2 1 0.417000 "H2" "HW" 0 703 131072 3 1 0.417000 "O" "OW" 0 704 131072 1 8 -0.834000 "H1" "HW" 0 704 131072 2 1 0.417000 "H2" "HW" 0 704 131072 3 1 0.417000 "O" "OW" 0 705 131072 1 8 -0.834000 "H1" "HW" 0 705 131072 2 1 0.417000 "H2" "HW" 0 705 131072 3 1 0.417000 "O" "OW" 0 706 131072 1 8 -0.834000 "H1" "HW" 0 706 131072 2 1 0.417000 "H2" "HW" 0 706 131072 3 1 0.417000 "O" "OW" 0 707 131072 1 8 -0.834000 "H1" "HW" 0 707 131072 2 1 0.417000 "H2" "HW" 0 707 131072 3 1 0.417000 "O" "OW" 0 708 131072 1 8 -0.834000 "H1" "HW" 0 708 131072 2 1 0.417000 "H2" "HW" 0 708 131072 3 1 0.417000 "O" "OW" 0 709 131072 1 8 -0.834000 "H1" "HW" 0 709 131072 2 1 0.417000 "H2" "HW" 0 709 131072 3 1 0.417000 "O" "OW" 0 710 131072 1 8 -0.834000 "H1" "HW" 0 710 131072 2 1 0.417000 "H2" "HW" 0 710 131072 3 1 0.417000 "O" "OW" 0 711 131072 1 8 -0.834000 "H1" "HW" 0 711 131072 2 1 0.417000 "H2" "HW" 0 711 131072 3 1 0.417000 "O" "OW" 0 712 131072 1 8 -0.834000 "H1" "HW" 0 712 131072 2 1 0.417000 "H2" "HW" 0 712 131072 3 1 0.417000 "O" "OW" 0 713 131072 1 8 -0.834000 "H1" "HW" 0 713 131072 2 1 0.417000 "H2" "HW" 0 713 131072 3 1 0.417000 "O" "OW" 0 714 131072 1 8 -0.834000 "H1" "HW" 0 714 131072 2 1 0.417000 "H2" "HW" 0 714 131072 3 1 0.417000 "O" "OW" 0 715 131072 1 8 -0.834000 "H1" "HW" 0 715 131072 2 1 0.417000 "H2" "HW" 0 715 131072 3 1 0.417000 "O" "OW" 0 716 131072 1 8 -0.834000 "H1" "HW" 0 716 131072 2 1 0.417000 "H2" "HW" 0 716 131072 3 1 0.417000 "O" "OW" 0 717 131072 1 8 -0.834000 "H1" "HW" 0 717 131072 2 1 0.417000 "H2" "HW" 0 717 131072 3 1 0.417000 "O" "OW" 0 718 131072 1 8 -0.834000 "H1" "HW" 0 718 131072 2 1 0.417000 "H2" "HW" 0 718 131072 3 1 0.417000 "O" "OW" 0 719 131072 1 8 -0.834000 "H1" "HW" 0 719 131072 2 1 0.417000 "H2" "HW" 0 719 131072 3 1 0.417000 "O" "OW" 0 720 131072 1 8 -0.834000 "H1" "HW" 0 720 131072 2 1 0.417000 "H2" "HW" 0 720 131072 3 1 0.417000 "O" "OW" 0 721 131072 1 8 -0.834000 "H1" "HW" 0 721 131072 2 1 0.417000 "H2" "HW" 0 721 131072 3 1 0.417000 "O" "OW" 0 722 131072 1 8 -0.834000 "H1" "HW" 0 722 131072 2 1 0.417000 "H2" "HW" 0 722 131072 3 1 0.417000 "O" "OW" 0 723 131072 1 8 -0.834000 "H1" "HW" 0 723 131072 2 1 0.417000 "H2" "HW" 0 723 131072 3 1 0.417000 "O" "OW" 0 724 131072 1 8 -0.834000 "H1" "HW" 0 724 131072 2 1 0.417000 "H2" "HW" 0 724 131072 3 1 0.417000 "O" "OW" 0 725 131072 1 8 -0.834000 "H1" "HW" 0 725 131072 2 1 0.417000 "H2" "HW" 0 725 131072 3 1 0.417000 "O" "OW" 0 726 131072 1 8 -0.834000 "H1" "HW" 0 726 131072 2 1 0.417000 "H2" "HW" 0 726 131072 3 1 0.417000 "O" "OW" 0 727 131072 1 8 -0.834000 "H1" "HW" 0 727 131072 2 1 0.417000 "H2" "HW" 0 727 131072 3 1 0.417000 "O" "OW" 0 728 131072 1 8 -0.834000 "H1" "HW" 0 728 131072 2 1 0.417000 "H2" "HW" 0 728 131072 3 1 0.417000 "O" "OW" 0 729 131072 1 8 -0.834000 "H1" "HW" 0 729 131072 2 1 0.417000 "H2" "HW" 0 729 131072 3 1 0.417000 "O" "OW" 0 730 131072 1 8 -0.834000 "H1" "HW" 0 730 131072 2 1 0.417000 "H2" "HW" 0 730 131072 3 1 0.417000 "O" "OW" 0 731 131072 1 8 -0.834000 "H1" "HW" 0 731 131072 2 1 0.417000 "H2" "HW" 0 731 131072 3 1 0.417000 "O" "OW" 0 732 131072 1 8 -0.834000 "H1" "HW" 0 732 131072 2 1 0.417000 "H2" "HW" 0 732 131072 3 1 0.417000 "O" "OW" 0 733 131072 1 8 -0.834000 "H1" "HW" 0 733 131072 2 1 0.417000 "H2" "HW" 0 733 131072 3 1 0.417000 "O" "OW" 0 734 131072 1 8 -0.834000 "H1" "HW" 0 734 131072 2 1 0.417000 "H2" "HW" 0 734 131072 3 1 0.417000 "O" "OW" 0 735 131072 1 8 -0.834000 "H1" "HW" 0 735 131072 2 1 0.417000 "H2" "HW" 0 735 131072 3 1 0.417000 "O" "OW" 0 736 131072 1 8 -0.834000 "H1" "HW" 0 736 131072 2 1 0.417000 "H2" "HW" 0 736 131072 3 1 0.417000 "O" "OW" 0 737 131072 1 8 -0.834000 "H1" "HW" 0 737 131072 2 1 0.417000 "H2" "HW" 0 737 131072 3 1 0.417000 "O" "OW" 0 738 131072 1 8 -0.834000 "H1" "HW" 0 738 131072 2 1 0.417000 "H2" "HW" 0 738 131072 3 1 0.417000 "O" "OW" 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"H1" "HW" 0 748 131072 2 1 0.417000 "H2" "HW" 0 748 131072 3 1 0.417000 "O" "OW" 0 749 131072 1 8 -0.834000 "H1" "HW" 0 749 131072 2 1 0.417000 "H2" "HW" 0 749 131072 3 1 0.417000 "O" "OW" 0 750 131072 1 8 -0.834000 "H1" "HW" 0 750 131072 2 1 0.417000 "H2" "HW" 0 750 131072 3 1 0.417000 "O" "OW" 0 751 131072 1 8 -0.834000 "H1" "HW" 0 751 131072 2 1 0.417000 "H2" "HW" 0 751 131072 3 1 0.417000 "O" "OW" 0 752 131072 1 8 -0.834000 "H1" "HW" 0 752 131072 2 1 0.417000 "H2" "HW" 0 752 131072 3 1 0.417000 "O" "OW" 0 753 131072 1 8 -0.834000 "H1" "HW" 0 753 131072 2 1 0.417000 "H2" "HW" 0 753 131072 3 1 0.417000 "O" "OW" 0 754 131072 1 8 -0.834000 "H1" "HW" 0 754 131072 2 1 0.417000 "H2" "HW" 0 754 131072 3 1 0.417000 "O" "OW" 0 755 131072 1 8 -0.834000 "H1" "HW" 0 755 131072 2 1 0.417000 "H2" "HW" 0 755 131072 3 1 0.417000 "O" "OW" 0 756 131072 1 8 -0.834000 "H1" "HW" 0 756 131072 2 1 0.417000 "H2" "HW" 0 756 131072 3 1 0.417000 "O" "OW" 0 757 131072 1 8 -0.834000 "H1" "HW" 0 757 131072 2 1 0.417000 "H2" "HW" 0 757 131072 3 1 0.417000 !entry.stbt.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "N" "N3" 0 -1 0.0 "H1" "H" 0 -1 0.0 "H2" "H" 0 -1 0.0 "H3" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "HP" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB1" "HC" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA2" "H1" 0 -1 0.0 "HA3" "H1" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB" "HC" 0 -1 0.0 "CG2" "CT" 0 -1 0.0 "HG21" "HC" 0 -1 0.0 "HG22" "HC" 0 -1 0.0 "HG23" "HC" 0 -1 0.0 "CG1" "CT" 0 -1 0.0 "HG12" "HC" 0 -1 0.0 "HG13" "HC" 0 -1 0.0 "CD1" "CT" 0 -1 0.0 "HD11" "HC" 0 -1 0.0 "HD12" "HC" 0 -1 0.0 "HD13" "HC" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB" "H1" 0 -1 0.0 "CG2" "CT" 0 -1 0.0 "HG21" "HC" 0 -1 0.0 "HG22" "HC" 0 -1 0.0 "HG23" "HC" 0 -1 0.0 "OG1" "OH" 0 -1 0.0 "HG1" "HO" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA2" "H1" 0 -1 0.0 "HA3" "H1" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB" "H1" 0 -1 0.0 "CG2" "CT" 0 -1 0.0 "HG21" "HC" 0 -1 0.0 "HG22" "HC" 0 -1 0.0 "HG23" "HC" 0 -1 0.0 "OG1" "OH" 0 -1 0.0 "HG1" "HO" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "C*" 0 -1 0.0 "CD1" "CW" 0 -1 0.0 "HD1" "H4" 0 -1 0.0 "NE1" "NA" 0 -1 0.0 "HE1" "H" 0 -1 0.0 "CE2" "CN" 0 -1 0.0 "CZ2" "CA" 0 -1 0.0 "HZ2" "HA" 0 -1 0.0 "CH2" "CA" 0 -1 0.0 "HH2" "HA" 0 -1 0.0 "CZ3" "CA" 0 -1 0.0 "HZ3" "HA" 0 -1 0.0 "CE3" "CA" 0 -1 0.0 "HE3" "HA" 0 -1 0.0 "CD2" "CB" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "H" 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0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 "O" "OW" 0 -1 0.0 "H1" "HW" 0 -1 0.0 "H2" "HW" 0 -1 0.0 !entry.stbt.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.stbt.unit.childsequence single int 70759 !entry.stbt.unit.connect array int 0 0 !entry.stbt.unit.connectivity table int atom1x int atom2x int flags 11 12 1 11 13 1 7 8 1 7 9 1 7 10 1 5 6 1 5 7 1 5 11 1 1 2 1 1 3 1 1 4 1 1 5 1 18 19 1 18 20 1 15 16 1 15 17 1 15 18 1 13 14 1 13 15 1 37 38 1 37 39 1 33 34 1 33 35 1 33 36 1 30 31 1 30 32 1 30 33 1 26 27 1 26 28 1 26 29 1 24 25 1 24 26 1 24 30 1 22 23 1 22 24 1 22 37 1 20 21 1 20 22 1 51 52 1 51 53 1 49 50 1 45 46 1 45 47 1 45 48 1 43 44 1 43 45 1 43 49 1 41 42 1 41 43 1 41 51 1 39 40 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