!!index array str "TC5b" !entry.TC5b.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 0.180100 "H1" "H" 0 1 131072 2 1 0.192100 "H2" "H" 0 1 131072 3 1 0.192100 "H3" "H" 0 1 131072 4 1 0.192100 "CA" "CT" 0 1 131072 5 6 0.036800 "HA" "HP" 0 1 131072 6 1 0.123100 "CB" "CT" 0 1 131072 7 6 -0.028300 "HB2" "HC" 0 1 131072 8 1 0.051500 "HB3" "HC" 0 1 131072 9 1 0.051500 "CG" "C" 0 1 131072 10 6 0.583300 "OD1" "O" 0 1 131072 11 8 -0.574400 "ND2" "N" 0 1 131072 12 7 -0.863400 "HD21" "H" 0 1 131072 13 1 0.409700 "HD22" "H" 0 1 131072 14 1 0.409700 "C" "C" 0 1 131072 15 6 0.616300 "O" "O" 0 1 131072 16 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 -0.051800 "HA" "H1" 0 2 131072 4 1 0.092200 "CB" "CT" 0 2 131072 5 6 -0.110200 "HB2" "HC" 0 2 131072 6 1 0.045700 "HB3" "HC" 0 2 131072 7 1 0.045700 "CG" "CT" 0 2 131072 8 6 0.353100 "HG" "HC" 0 2 131072 9 1 -0.036100 "CD1" "CT" 0 2 131072 10 6 -0.412100 "HD11" "HC" 0 2 131072 11 1 0.100000 "HD12" "HC" 0 2 131072 12 1 0.100000 "HD13" "HC" 0 2 131072 13 1 0.100000 "CD2" "CT" 0 2 131072 14 6 -0.412100 "HD21" "HC" 0 2 131072 15 1 0.100000 "HD22" "HC" 0 2 131072 16 1 0.100000 "HD23" "HC" 0 2 131072 17 1 0.100000 "C" "C" 0 2 131072 18 6 0.597300 "O" "O" 0 2 131072 19 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 -0.001400 "HA" "H1" 0 3 131072 4 1 0.087600 "CB" "CT" 0 3 131072 5 6 -0.015200 "HB2" "HC" 0 3 131072 6 1 0.029500 "HB3" "HC" 0 3 131072 7 1 0.029500 "CG" "CA" 0 3 131072 8 6 -0.001100 "CD1" "CA" 0 3 131072 9 6 -0.190600 "HD1" "HA" 0 3 131072 10 1 0.169900 "CE1" "CA" 0 3 131072 11 6 -0.234100 "HE1" "HA" 0 3 131072 12 1 0.165600 "CZ" "C" 0 3 131072 13 6 0.322600 "OH" "OH" 0 3 131072 14 8 -0.557900 "HH" "HO" 0 3 131072 15 1 0.399200 "CE2" "CA" 0 3 131072 16 6 -0.234100 "HE2" "HA" 0 3 131072 17 1 0.165600 "CD2" "CA" 0 3 131072 18 6 -0.190600 "HD2" "HA" 0 3 131072 19 1 0.169900 "C" "C" 0 3 131072 20 6 0.597300 "O" "O" 0 3 131072 21 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 -0.059700 "HA" "H1" 0 4 131072 4 1 0.086900 "CB" "CT" 0 4 131072 5 6 0.130300 "HB" "HC" 0 4 131072 6 1 0.018700 "CG2" "CT" 0 4 131072 7 6 -0.320400 "HG21" "HC" 0 4 131072 8 1 0.088200 "HG22" "HC" 0 4 131072 9 1 0.088200 "HG23" "HC" 0 4 131072 10 1 0.088200 "CG1" "CT" 0 4 131072 11 6 -0.043000 "HG12" "HC" 0 4 131072 12 1 0.023600 "HG13" "HC" 0 4 131072 13 1 0.023600 "CD1" "CT" 0 4 131072 14 6 -0.066000 "HD11" "HC" 0 4 131072 15 1 0.018600 "HD12" "HC" 0 4 131072 16 1 0.018600 "HD13" "HC" 0 4 131072 17 1 0.018600 "C" "C" 0 4 131072 18 6 0.597300 "O" "O" 0 4 131072 19 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 -0.003100 "HA" "H1" 0 5 131072 4 1 0.085000 "CB" "CT" 0 5 131072 5 6 -0.003600 "HB2" "HC" 0 5 131072 6 1 0.017100 "HB3" "HC" 0 5 131072 7 1 0.017100 "CG" "CT" 0 5 131072 8 6 -0.064500 "HG2" "HC" 0 5 131072 9 1 0.035200 "HG3" "HC" 0 5 131072 10 1 0.035200 "CD" "C" 0 5 131072 11 6 0.695100 "OE1" "O" 0 5 131072 12 8 -0.608600 "NE2" "N" 0 5 131072 13 7 -0.940700 "HE21" "H" 0 5 131072 14 1 0.425100 "HE22" "H" 0 5 131072 15 1 0.425100 "C" "C" 0 5 131072 16 6 0.597300 "O" "O" 0 5 131072 17 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 -0.027500 "HA" "H1" 0 6 131072 4 1 0.112300 "CB" "CT" 0 6 131072 5 6 -0.005000 "HB2" "HC" 0 6 131072 6 1 0.033900 "HB3" "HC" 0 6 131072 7 1 0.033900 "CG" "C*" 0 6 131072 8 6 -0.141500 "CD1" "CW" 0 6 131072 9 6 -0.163800 "HD1" "H4" 0 6 131072 10 1 0.206200 "NE1" "NA" 0 6 131072 11 7 -0.341800 "HE1" "H" 0 6 131072 12 1 0.341200 "CE2" "CN" 0 6 131072 13 6 0.138000 "CZ2" "CA" 0 6 131072 14 6 -0.260100 "HZ2" "HA" 0 6 131072 15 1 0.157200 "CH2" "CA" 0 6 131072 16 6 -0.113400 "HH2" "HA" 0 6 131072 17 1 0.141700 "CZ3" "CA" 0 6 131072 18 6 -0.197200 "HZ3" "HA" 0 6 131072 19 1 0.144700 "CE3" "CA" 0 6 131072 20 6 -0.238700 "HE3" "HA" 0 6 131072 21 1 0.170000 "CD2" "CB" 0 6 131072 22 6 0.124300 "C" "C" 0 6 131072 23 6 0.597300 "O" "O" 0 6 131072 24 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 -0.051800 "HA" "H1" 0 7 131072 4 1 0.092200 "CB" "CT" 0 7 131072 5 6 -0.110200 "HB2" "HC" 0 7 131072 6 1 0.045700 "HB3" "HC" 0 7 131072 7 1 0.045700 "CG" "CT" 0 7 131072 8 6 0.353100 "HG" "HC" 0 7 131072 9 1 -0.036100 "CD1" "CT" 0 7 131072 10 6 -0.412100 "HD11" "HC" 0 7 131072 11 1 0.100000 "HD12" "HC" 0 7 131072 12 1 0.100000 "HD13" "HC" 0 7 131072 13 1 0.100000 "CD2" "CT" 0 7 131072 14 6 -0.412100 "HD21" "HC" 0 7 131072 15 1 0.100000 "HD22" "HC" 0 7 131072 16 1 0.100000 "HD23" "HC" 0 7 131072 17 1 0.100000 "C" "C" 0 7 131072 18 6 0.597300 "O" "O" 0 7 131072 19 8 -0.567900 "N" "N" 0 8 131072 1 7 -0.347900 "H" "H" 0 8 131072 2 1 0.274700 "CA" "CT" 0 8 131072 3 6 -0.240000 "HA" "H1" 0 8 131072 4 1 0.142600 "CB" "CT" 0 8 131072 5 6 -0.009400 "HB2" "HC" 0 8 131072 6 1 0.036200 "HB3" "HC" 0 8 131072 7 1 0.036200 "CG" "CT" 0 8 131072 8 6 0.018700 "HG2" "HC" 0 8 131072 9 1 0.010300 "HG3" "HC" 0 8 131072 10 1 0.010300 "CD" "CT" 0 8 131072 11 6 -0.047900 "HD2" "HC" 0 8 131072 12 1 0.062100 "HD3" "HC" 0 8 131072 13 1 0.062100 "CE" "CT" 0 8 131072 14 6 -0.014300 "HE2" "HP" 0 8 131072 15 1 0.113500 "HE3" "HP" 0 8 131072 16 1 0.113500 "NZ" "N3" 0 8 131072 17 7 -0.385400 "HZ1" "H" 0 8 131072 18 1 0.340000 "HZ2" "H" 0 8 131072 19 1 0.340000 "HZ3" "H" 0 8 131072 20 1 0.340000 "C" "C" 0 8 131072 21 6 0.734100 "O" "O" 0 8 131072 22 8 -0.589400 "N" "N" 0 9 131072 1 7 -0.516300 "H" "H" 0 9 131072 2 1 0.293600 "CA" "CT" 0 9 131072 3 6 0.038100 "HA" "H1" 0 9 131072 4 1 0.088000 "CB" "CT" 0 9 131072 5 6 -0.030300 "HB2" "HC" 0 9 131072 6 1 -0.012200 "HB3" "HC" 0 9 131072 7 1 -0.012200 "CG" "C" 0 9 131072 8 6 0.799400 "OD1" "O2" 0 9 131072 9 8 -0.801400 "OD2" "O2" 0 9 131072 10 8 -0.801400 "C" "C" 0 9 131072 11 6 0.536600 "O" "O" 0 9 131072 12 8 -0.581900 "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 -0.025200 "HA2" "H1" 0 10 131072 4 1 0.069800 "HA3" "H1" 0 10 131072 5 1 0.069800 "C" "C" 0 10 131072 6 6 0.597300 "O" "O" 0 10 131072 7 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 -0.025200 "HA2" "H1" 0 11 131072 4 1 0.069800 "HA3" "H1" 0 11 131072 5 1 0.069800 "C" "C" 0 11 131072 6 6 0.597300 "O" "O" 0 11 131072 7 8 -0.567900 "N" "N" 0 12 131072 1 7 -0.254800 "CD" "CT" 0 12 131072 2 6 0.019200 "HD2" "H1" 0 12 131072 3 1 0.039100 "HD3" "H1" 0 12 131072 4 1 0.039100 "CG" "CT" 0 12 131072 5 6 0.018900 "HG2" "HC" 0 12 131072 6 1 0.021300 "HG3" "HC" 0 12 131072 7 1 0.021300 "CB" "CT" 0 12 131072 8 6 -0.007000 "HB2" "HC" 0 12 131072 9 1 0.025300 "HB3" "HC" 0 12 131072 10 1 0.025300 "CA" "CT" 0 12 131072 11 6 -0.026600 "HA" "H1" 0 12 131072 12 1 0.064100 "C" "C" 0 12 131072 13 6 0.589600 "O" "O" 0 12 131072 14 8 -0.574800 "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 -0.024900 "HA" "H1" 0 14 131072 4 1 0.084300 "CB" "CT" 0 14 131072 5 6 0.211700 "HB2" "H1" 0 14 131072 6 1 0.035200 "HB3" "H1" 0 14 131072 7 1 0.035200 "OG" "OH" 0 14 131072 8 8 -0.654600 "HG" "HO" 0 14 131072 9 1 0.427500 "C" "C" 0 14 131072 10 6 0.597300 "O" "O" 0 14 131072 11 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 -0.025200 "HA2" "H1" 0 15 131072 4 1 0.069800 "HA3" "H1" 0 15 131072 5 1 0.069800 "C" "C" 0 15 131072 6 6 0.597300 "O" "O" 0 15 131072 7 8 -0.567900 "N" "N" 0 16 131072 1 7 -0.347900 "H" "H" 0 16 131072 2 1 0.274700 "CA" "CT" 0 16 131072 3 6 -0.263700 "HA" "H1" 0 16 131072 4 1 0.156000 "CB" "CT" 0 16 131072 5 6 -0.000700 "HB2" "HC" 0 16 131072 6 1 0.032700 "HB3" "HC" 0 16 131072 7 1 0.032700 "CG" "CT" 0 16 131072 8 6 0.039000 "HG2" "HC" 0 16 131072 9 1 0.028500 "HG3" "HC" 0 16 131072 10 1 0.028500 "CD" "CT" 0 16 131072 11 6 0.048600 "HD2" "H1" 0 16 131072 12 1 0.068700 "HD3" "H1" 0 16 131072 13 1 0.068700 "NE" "N2" 0 16 131072 14 7 -0.529500 "HE" "H" 0 16 131072 15 1 0.345600 "CZ" "CA" 0 16 131072 16 6 0.807600 "NH1" "N2" 0 16 131072 17 7 -0.862700 "HH11" "H" 0 16 131072 18 1 0.447800 "HH12" "H" 0 16 131072 19 1 0.447800 "NH2" "N2" 0 16 131072 20 7 -0.862700 "HH21" "H" 0 16 131072 21 1 0.447800 "HH22" "H" 0 16 131072 22 1 0.447800 "C" "C" 0 16 131072 23 6 0.734100 "O" "O" 0 16 131072 24 8 -0.589400 "N" "N" 0 17 131072 1 7 -0.254800 "CD" "CT" 0 17 131072 2 6 0.019200 "HD2" "H1" 0 17 131072 3 1 0.039100 "HD3" "H1" 0 17 131072 4 1 0.039100 "CG" "CT" 0 17 131072 5 6 0.018900 "HG2" "HC" 0 17 131072 6 1 0.021300 "HG3" "HC" 0 17 131072 7 1 0.021300 "CB" "CT" 0 17 131072 8 6 -0.007000 "HB2" "HC" 0 17 131072 9 1 0.025300 "HB3" "HC" 0 17 131072 10 1 0.025300 "CA" "CT" 0 17 131072 11 6 -0.026600 "HA" "H1" 0 17 131072 12 1 0.064100 "C" "C" 0 17 131072 13 6 0.589600 "O" "O" 0 17 131072 14 8 -0.574800 "N" "N" 0 18 131072 1 7 -0.254800 "CD" "CT" 0 18 131072 2 6 0.019200 "HD2" "H1" 0 18 131072 3 1 0.039100 "HD3" "H1" 0 18 131072 4 1 0.039100 "CG" "CT" 0 18 131072 5 6 0.018900 "HG2" "HC" 0 18 131072 6 1 0.021300 "HG3" "HC" 0 18 131072 7 1 0.021300 "CB" "CT" 0 18 131072 8 6 -0.007000 "HB2" "HC" 0 18 131072 9 1 0.025300 "HB3" "HC" 0 18 131072 10 1 0.025300 "CA" "CT" 0 18 131072 11 6 -0.026600 "HA" "H1" 0 18 131072 12 1 0.064100 "C" "C" 0 18 131072 13 6 0.589600 "O" "O" 0 18 131072 14 8 -0.574800 "N" "N" 0 19 131072 1 7 -0.254800 "CD" "CT" 0 19 131072 2 6 0.019200 "HD2" "H1" 0 19 131072 3 1 0.039100 "HD3" "H1" 0 19 131072 4 1 0.039100 "CG" "CT" 0 19 131072 5 6 0.018900 "HG2" "HC" 0 19 131072 6 1 0.021300 "HG3" "HC" 0 19 131072 7 1 0.021300 "CB" "CT" 0 19 131072 8 6 -0.007000 "HB2" "HC" 0 19 131072 9 1 0.025300 "HB3" "HC" 0 19 131072 10 1 0.025300 "CA" "CT" 0 19 131072 11 6 -0.026600 "HA" "H1" 0 19 131072 12 1 0.064100 "C" "C" 0 19 131072 13 6 0.589600 "O" "O" 0 19 131072 14 8 -0.574800 "N" "N" 0 20 131072 1 7 -0.382100 "H" "H" 0 20 131072 2 1 0.268100 "CA" "CT" 0 20 131072 3 6 -0.272200 "HA" "H1" 0 20 131072 4 1 0.130400 "CB" "CT" 0 20 131072 5 6 0.112300 "HB2" "H1" 0 20 131072 6 1 0.081300 "HB3" "H1" 0 20 131072 7 1 0.081300 "OG" "OH" 0 20 131072 8 8 -0.651400 "HG" "HO" 0 20 131072 9 1 0.447400 "C" "C" 0 20 131072 10 6 0.811300 "O" "O2" 0 20 131072 11 8 -0.813200 "OXT" "O2" 0 20 131072 12 8 -0.813200 !entry.TC5b.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 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "C" 0 -1 0.0 "OD1" "O" 0 -1 0.0 "ND2" "N" 0 -1 0.0 "HD21" "H" 0 -1 0.0 "HD22" "H" 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" "CT" 0 -1 0.0 "HG" "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 "CD2" "CT" 0 -1 0.0 "HD21" "HC" 0 -1 0.0 "HD22" "HC" 0 -1 0.0 "HD23" "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 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "CA" 0 -1 0.0 "CD1" "CA" 0 -1 0.0 "HD1" "HA" 0 -1 0.0 "CE1" "CA" 0 -1 0.0 "HE1" "HA" 0 -1 0.0 "CZ" "C" 0 -1 0.0 "OH" "OH" 0 -1 0.0 "HH" "HO" 0 -1 0.0 "CE2" "CA" 0 -1 0.0 "HE2" "HA" 0 -1 0.0 "CD2" "CA" 0 -1 0.0 "HD2" "HA" 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 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CD" "C" 0 -1 0.0 "OE1" "O" 0 -1 0.0 "NE2" "N" 0 -1 0.0 "HE21" "H" 0 -1 0.0 "HE22" "H" 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" "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" "CT" 0 -1 0.0 "HG" "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 "CD2" "CT" 0 -1 0.0 "HD21" "HC" 0 -1 0.0 "HD22" "HC" 0 -1 0.0 "HD23" "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 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CD" "CT" 0 -1 0.0 "HD2" "HC" 0 -1 0.0 "HD3" "HC" 0 -1 0.0 "CE" "CT" 0 -1 0.0 "HE2" "HP" 0 -1 0.0 "HE3" "HP" 0 -1 0.0 "NZ" "N3" 0 -1 0.0 "HZ1" "H" 0 -1 0.0 "HZ2" "H" 0 -1 0.0 "HZ3" "H" 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 "OD1" "O2" 0 -1 0.0 "OD2" "O2" 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 "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 "CD" "CT" 0 -1 0.0 "HD2" "H1" 0 -1 0.0 "HD3" "H1" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "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 "HB2" "H1" 0 -1 0.0 "HB3" "H1" 0 -1 0.0 "OG" "OH" 0 -1 0.0 "HG" "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" "H1" 0 -1 0.0 "HB3" "H1" 0 -1 0.0 "OG" "OH" 0 -1 0.0 "HG" "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 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CD" "CT" 0 -1 0.0 "HD2" "H1" 0 -1 0.0 "HD3" "H1" 0 -1 0.0 "NE" "N2" 0 -1 0.0 "HE" "H" 0 -1 0.0 "CZ" "CA" 0 -1 0.0 "NH1" "N2" 0 -1 0.0 "HH11" "H" 0 -1 0.0 "HH12" "H" 0 -1 0.0 "NH2" "N2" 0 -1 0.0 "HH21" "H" 0 -1 0.0 "HH22" "H" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "CD" "CT" 0 -1 0.0 "HD2" "H1" 0 -1 0.0 "HD3" "H1" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "CD" "CT" 0 -1 0.0 "HD2" "H1" 0 -1 0.0 "HD3" "H1" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "H1" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 "N" "N" 0 -1 0.0 "CD" "CT" 0 -1 0.0 "HD2" "H1" 0 -1 0.0 "HD3" "H1" 0 -1 0.0 "CG" "CT" 0 -1 0.0 "HG2" "HC" 0 -1 0.0 "HG3" "HC" 0 -1 0.0 "CB" "CT" 0 -1 0.0 "HB2" "HC" 0 -1 0.0 "HB3" "HC" 0 -1 0.0 "CA" "CT" 0 -1 0.0 "HA" "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 "HB2" "H1" 0 -1 0.0 "HB3" "H1" 0 -1 0.0 "OG" "OH" 0 -1 0.0 "HG" "HO" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O2" 0 -1 0.0 "OXT" "O2" 0 -1 0.0 !entry.TC5b.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.TC5b.unit.childsequence single int 21 !entry.TC5b.unit.connect array int 0 0 !entry.TC5b.unit.connectivity table int atom1x int atom2x int flags 15 16 1 15 17 1 12 13 1 12 14 1 10 11 1 10 12 1 7 8 1 7 9 1 7 10 1 5 6 1 5 7 1 5 15 1 1 2 1 1 3 1 1 4 1 1 5 1 34 35 1 34 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 21 22 1 21 23 1 21 24 1 19 20 1 19 21 1 19 34 1 17 18 1 17 19 1 55 56 1 55 57 1 53 54 1 51 52 1 51 53 1 49 50 1 48 49 1 48 51 1 46 47 1 46 48 1 44 45 1 44 46 1 43 44 1 43 53 1 40 41 1 40 42 1 40 43 1 38 39 1 38 40 1 38 55 1 36 37 1 36 38 1 74 75 1 74 76 1 70 71 1 70 72 1 70 73 1 67 68 1 67 69 1 67 70 1 63 64 1 63 65 1 63 66 1 61 62 1 61 63 1 61 67 1 59 60 1 59 61 1 59 74 1 57 58 1 57 59 1 91 92 1 91 93 1 88 89 1 88 90 1 86 87 1 86 88 1 83 84 1 83 85 1 83 86 1 80 81 1 80 82 1 80 83 1 78 79 1 78 80 1 78 91 1 76 77 1 76 78 1 115 116 1 115 117 1 112 113 1 112 114 1 110 111 1 110 112 1 108 109 1 108 110 1 106 107 1 106 108 1 105 106 1 105 114 1 103 104 1 103 105 1 101 102 1 101 103 1 100 101 1 100 114 1 97 98 1 97 99 1 97 100 1 95 96 1 95 97 1 95 115 1 93 94 1 93 95 1 134 135 1 134 136 1 130 131 1 130 132 1 130 133 1 126 127 1 126 128 1 126 129 1 124 125 1 124 126 1 124 130 1 121 122 1 121 123 1 121 124 1 119 120 1 119 121 1 119 134 1 117 118 1 117 119 1 156 157 1 156 158 1 152 153 1 152 154 1 152 155 1 149 150 1 149 151 1 149 152 1 146 147 1 146 148 1 146 149 1 143 144 1 143 145 1 143 146 1 140 141 1 140 142 1 140 143 1 138 139 1 138 140 1 138 156 1 136 137 1 136 138 1 168 169 1 168 170 1 165 166 1 165 167 1 162 163 1 162 164 1 162 165 1 160 161 1 160 162 1 160 168 1 158 159 1 158 160 1 175 176 1 175 177 1 172 173 1 172 174 1 172 175 1 170 171 1 170 172 1 182 183 1 182 184 1 179 180 1 179 181 1 179 182 1 177 178 1 177 179 1 196 197 1 196 198 1 194 195 1 194 196 1 191 192 1 191 193 1 191 194 1 188 189 1 188 190 1 188 191 1 185 186 1 185 187 1 185 188 1 184 185 1 184 194 1 207 208 1 207 209 1 205 206 1 202 203 1 202 204 1 202 205 1 200 201 1 200 202 1 200 207 1 198 199 1 198 200 1 218 219 1 218 220 1 216 217 1 213 214 1 213 215 1 213 216 1 211 212 1 211 213 1 211 218 1 209 210 1 209 211 1 225 226 1 225 227 1 222 223 1 222 224 1 222 225 1 220 221 1 220 222 1 249 250 1 249 251 1 246 247 1 246 248 1 243 244 1 243 245 1 242 243 1 242 246 1 240 241 1 240 242 1 237 238 1 237 239 1 237 240 1 234 235 1 234 236 1 234 237 1 231 232 1 231 233 1 231 234 1 229 230 1 229 231 1 229 249 1 227 228 1 227 229 1 263 264 1 263 265 1 261 262 1 261 263 1 258 259 1 258 260 1 258 261 1 255 256 1 255 257 1 255 258 1 252 253 1 252 254 1 252 255 1 251 252 1 251 261 1 277 278 1 277 279 1 275 276 1 275 277 1 272 273 1 272 274 1 272 275 1 269 270 1 269 271 1 269 272 1 266 267 1 266 268 1 266 269 1 265 266 1 265 275 1 291 292 1 291 293 1 289 290 1 289 291 1 286 287 1 286 288 1 286 289 1 283 284 1 283 285 1 283 286 1 280 281 1 280 282 1 280 283 1 279 280 1 279 289 1 302 303 1 302 304 1 300 301 1 297 298 1 297 299 1 297 300 1 295 296 1 295 297 1 295 302 1 293 294 1 293 295 1 !entry.TC5b.unit.hierarchy table str abovetype int abovex str belowtype int belowx "U" 0 "R" 1 "R" 1 "A" 16 "R" 1 "A" 15 "R" 1 "A" 14 "R" 1 "A" 13 "R" 1 "A" 12 "R" 1 "A" 11 "R" 1 "A" 10 "R" 1 "A" 9 "R" 1 "A" 8 "R" 1 "A" 7 "R" 1 "A" 6 "R" 1 "A" 5 "R" 1 "A" 4 "R" 1 "A" 3 "R" 1 "A" 2 "R" 1 "A" 1 "U" 0 "R" 2 "R" 2 "A" 35 "R" 2 "A" 34 "R" 2 "A" 33 "R" 2 "A" 32 "R" 2 "A" 31 "R" 2 "A" 30 "R" 2 "A" 29 "R" 2 "A" 28 "R" 2 "A" 27 "R" 2 "A" 26 "R" 2 "A" 25 "R" 2 "A" 24 "R" 2 "A" 23 "R" 2 "A" 22 "R" 2 "A" 21 "R" 2 "A" 20 "R" 2 "A" 19 "R" 2 "A" 18 "R" 2 "A" 17 "U" 0 "R" 3 "R" 3 "A" 56 "R" 3 "A" 55 "R" 3 "A" 54 "R" 3 "A" 53 "R" 3 "A" 52 "R" 3 "A" 51 "R" 3 "A" 50 "R" 3 "A" 49 "R" 3 "A" 48 "R" 3 "A" 47 "R" 3 "A" 46 "R" 3 "A" 45 "R" 3 "A" 44 "R" 3 "A" 43 "R" 3 "A" 42 "R" 3 "A" 41 "R" 3 "A" 40 "R" 3 "A" 39 "R" 3 "A" 38 "R" 3 "A" 37 "R" 3 "A" 36 "U" 0 "R" 4 "R" 4 "A" 75 "R" 4 "A" 74 "R" 4 "A" 73 "R" 4 "A" 72 "R" 4 "A" 71 "R" 4 "A" 70 "R" 4 "A" 69 "R" 4 "A" 68 "R" 4 "A" 67 "R" 4 "A" 66 "R" 4 "A" 65 "R" 4 "A" 64 "R" 4 "A" 63 "R" 4 "A" 62 "R" 4 "A" 61 "R" 4 "A" 60 "R" 4 "A" 59 "R" 4 "A" 58 "R" 4 "A" 57 "U" 0 "R" 5 "R" 5 "A" 92 "R" 5 "A" 91 "R" 5 "A" 90 "R" 5 "A" 89 "R" 5 "A" 88 "R" 5 "A" 87 "R" 5 "A" 86 "R" 5 "A" 85 "R" 5 "A" 84 "R" 5 "A" 83 "R" 5 "A" 82 "R" 5 "A" 81 "R" 5 "A" 80 "R" 5 "A" 79 "R" 5 "A" 78 "R" 5 "A" 77 "R" 5 "A" 76 "U" 0 "R" 6 "R" 6 "A" 116 "R" 6 "A" 115 "R" 6 "A" 114 "R" 6 "A" 113 "R" 6 "A" 112 "R" 6 "A" 111 "R" 6 "A" 110 "R" 6 "A" 109 "R" 6 "A" 108 "R" 6 "A" 107 "R" 6 "A" 106 "R" 6 "A" 105 "R" 6 "A" 104 "R" 6 "A" 103 "R" 6 "A" 102 "R" 6 "A" 101 "R" 6 "A" 100 "R" 6 "A" 99 "R" 6 "A" 98 "R" 6 "A" 97 "R" 6 "A" 96 "R" 6 "A" 95 "R" 6 "A" 94 "R" 6 "A" 93 "U" 0 "R" 7 "R" 7 "A" 135 "R" 7 "A" 134 "R" 7 "A" 133 "R" 7 "A" 132 "R" 7 "A" 131 "R" 7 "A" 130 "R" 7 "A" 129 "R" 7 "A" 128 "R" 7 "A" 127 "R" 7 "A" 126 "R" 7 "A" 125 "R" 7 "A" 124 "R" 7 "A" 123 "R" 7 "A" 122 "R" 7 "A" 121 "R" 7 "A" 120 "R" 7 "A" 119 "R" 7 "A" 118 "R" 7 "A" 117 "U" 0 "R" 8 "R" 8 "A" 157 "R" 8 "A" 156 "R" 8 "A" 155 "R" 8 "A" 154 "R" 8 "A" 153 "R" 8 "A" 152 "R" 8 "A" 151 "R" 8 "A" 150 "R" 8 "A" 149 "R" 8 "A" 148 "R" 8 "A" 147 "R" 8 "A" 146 "R" 8 "A" 145 "R" 8 "A" 144 "R" 8 "A" 143 "R" 8 "A" 142 "R" 8 "A" 141 "R" 8 "A" 140 "R" 8 "A" 139 "R" 8 "A" 138 "R" 8 "A" 137 "R" 8 "A" 136 "U" 0 "R" 9 "R" 9 "A" 169 "R" 9 "A" 168 "R" 9 "A" 167 "R" 9 "A" 166 "R" 9 "A" 165 "R" 9 "A" 164 "R" 9 "A" 163 "R" 9 "A" 162 "R" 9 "A" 161 "R" 9 "A" 160 "R" 9 "A" 159 "R" 9 "A" 158 "U" 0 "R" 10 "R" 10 "A" 176 "R" 10 "A" 175 "R" 10 "A" 174 "R" 10 "A" 173 "R" 10 "A" 172 "R" 10 "A" 171 "R" 10 "A" 170 "U" 0 "R" 11 "R" 11 "A" 183 "R" 11 "A" 182 "R" 11 "A" 181 "R" 11 "A" 180 "R" 11 "A" 179 "R" 11 "A" 178 "R" 11 "A" 177 "U" 0 "R" 12 "R" 12 "A" 197 "R" 12 "A" 196 "R" 12 "A" 195 "R" 12 "A" 194 "R" 12 "A" 193 "R" 12 "A" 192 "R" 12 "A" 191 "R" 12 "A" 190 "R" 12 "A" 189 "R" 12 "A" 188 "R" 12 "A" 187 "R" 12 "A" 186 "R" 12 "A" 185 "R" 12 "A" 184 "U" 0 "R" 13 "R" 13 "A" 208 "R" 13 "A" 207 "R" 13 "A" 206 "R" 13 "A" 205 "R" 13 "A" 204 "R" 13 "A" 203 "R" 13 "A" 202 "R" 13 "A" 201 "R" 13 "A" 200 "R" 13 "A" 199 "R" 13 "A" 198 "U" 0 "R" 14 "R" 14 "A" 219 "R" 14 "A" 218 "R" 14 "A" 217 "R" 14 "A" 216 "R" 14 "A" 215 "R" 14 "A" 214 "R" 14 "A" 213 "R" 14 "A" 212 "R" 14 "A" 211 "R" 14 "A" 210 "R" 14 "A" 209 "U" 0 "R" 15 "R" 15 "A" 226 "R" 15 "A" 225 "R" 15 "A" 224 "R" 15 "A" 223 "R" 15 "A" 222 "R" 15 "A" 221 "R" 15 "A" 220 "U" 0 "R" 16 "R" 16 "A" 250 "R" 16 "A" 249 "R" 16 "A" 248 "R" 16 "A" 247 "R" 16 "A" 246 "R" 16 "A" 245 "R" 16 "A" 244 "R" 16 "A" 243 "R" 16 "A" 242 "R" 16 "A" 241 "R" 16 "A" 240 "R" 16 "A" 239 "R" 16 "A" 238 "R" 16 "A" 237 "R" 16 "A" 236 "R" 16 "A" 235 "R" 16 "A" 234 "R" 16 "A" 233 "R" 16 "A" 232 "R" 16 "A" 231 "R" 16 "A" 230 "R" 16 "A" 229 "R" 16 "A" 228 "R" 16 "A" 227 "U" 0 "R" 17 "R" 17 "A" 264 "R" 17 "A" 263 "R" 17 "A" 262 "R" 17 "A" 261 "R" 17 "A" 260 "R" 17 "A" 259 "R" 17 "A" 258 "R" 17 "A" 257 "R" 17 "A" 256 "R" 17 "A" 255 "R" 17 "A" 254 "R" 17 "A" 253 "R" 17 "A" 252 "R" 17 "A" 251 "U" 0 "R" 18 "R" 18 "A" 278 "R" 18 "A" 277 "R" 18 "A" 276 "R" 18 "A" 275 "R" 18 "A" 274 "R" 18 "A" 273 "R" 18 "A" 272 "R" 18 "A" 271 "R" 18 "A" 270 "R" 18 "A" 269 "R" 18 "A" 268 "R" 18 "A" 267 "R" 18 "A" 266 "R" 18 "A" 265 "U" 0 "R" 19 "R" 19 "A" 292 "R" 19 "A" 291 "R" 19 "A" 290 "R" 19 "A" 289 "R" 19 "A" 288 "R" 19 "A" 287 "R" 19 "A" 286 "R" 19 "A" 285 "R" 19 "A" 284 "R" 19 "A" 283 "R" 19 "A" 282 "R" 19 "A" 281 "R" 19 "A" 280 "R" 19 "A" 279 "U" 0 "R" 20 "R" 20 "A" 304 "R" 20 "A" 303 "R" 20 "A" 302 "R" 20 "A" 301 "R" 20 "A" 300 "R" 20 "A" 299 "R" 20 "A" 298 "R" 20 "A" 297 "R" 20 "A" 296 "R" 20 "A" 295 "R" 20 "A" 294 "R" 20 "A" 293 !entry.TC5b.unit.name single str "NASN" !entry.TC5b.unit.positions table dbl x dbl y dbl z 3.325770 1.547909 -1.607257E-06 4.046154 0.839991 -2.855271E-06 2.823094 1.499508 -0.874687 2.823097 1.499507 0.874685 3.970048 2.845795 -1.312144E-07 3.671663 3.400129 -0.889820 3.576965 3.653838 1.232143 2.496995 3.801075 1.241379 3.877484 3.115795 2.131197 4.253700 5.017112 1.232144 5.005299 5.340406 0.315072 3.984885 5.817909 2.265917 4.408015 6.733702 2.314743 3.359611 5.504297 2.994464 5.485541 2.705207 -4.398851E-06 6.008824 1.593175 -8.449829E-06 6.191007 3.838584 -5.087225E-06 5.715287 4.729532 -2.830561E-06 7.640008 3.838584 -7.384084E-06 8.003859 3.324839 0.889812 8.189001 3.127211 -1.232152 7.840689 2.094403 -1.241388 7.840691 3.635623 -2.131205 9.713384 3.148898 -1.194586 10.062475 4.181448 -1.185797 10.201034 2.437079 0.062847 9.852701 1.404270 0.054546 11.290585 2.452296 0.090192 9.808861 2.945171 0.943836 10.262379 2.437527 -2.426731 9.914069 2.945941 -3.325784 11.351954 2.452742 -2.400374 9.914066 1.404719 -2.435970 8.187924 5.258538 -2.061872E-06 7.424535 6.221698 3.347476E-06 9.516778 5.386492 -2.003314E-06 10.103289 4.564236 -5.384467E-06 10.161056 6.684378 1.175901E-06 9.862670 7.238714 -0.889817 9.767975 7.492419 1.232146 8.688005 7.639656 1.241384 10.068495 6.954374 2.131199 10.458338 8.834848 1.194951 10.250938 9.757490 2.227287 9.591120 9.506795 3.057884 10.891009 11.002126 2.192800 10.729534 11.720469 2.996548 11.738481 11.324123 1.125978 12.360264 12.533198 1.092478 12.147337 13.085564 1.848225 11.945883 10.401483 0.093641 12.605701 10.652180 -0.736956 11.305814 9.156846 0.128124 11.467293 8.438504 -0.675624 11.676549 6.543790 -5.143231E-06 12.199832 5.431758 -1.191988E-05 12.382015 7.677167 -4.512591E-06 11.906295 8.568115 -5.656130E-09 13.831016 7.677167 -8.515959E-06 14.194868 7.163421 0.889809 14.339316 6.958277 -1.245180 13.976228 5.930528 -1.245654 13.830950 7.677201 -2.490305 14.194036 8.704950 -2.490769 14.193990 7.163751 -3.380626 12.740951 7.677489 -2.490744 15.864316 6.958274 -1.245183 16.228168 7.985753 -1.245176 16.228167 6.444529 -0.355364 16.372616 6.239386 -2.490356 16.009530 6.752861 -3.380643 17.462616 6.239097 -2.490852 16.009527 5.211637 -2.490832 14.378932 9.097122 -1.145512E-06 13.615543 10.060282 6.989859E-06 15.707786 9.225075 -2.409183E-06 16.294297 8.402819 -8.038908E-06 16.352064 10.522961 2.473533E-06 16.053677 11.077299 -0.889815 15.958984 11.331000 1.232150 14.879014 11.478237 1.241389 16.259505 10.792953 2.131201 16.656205 12.686764 1.194587 17.736290 12.540340 1.185795 16.355798 13.225625 0.295985 16.288998 13.525600 2.410316 15.520986 13.085503 3.262907 16.840878 14.738680 2.488350 16.630458 15.336199 3.274986 17.466301 15.053370 1.760396 17.867557 10.382373 -5.893771E-06 18.390840 9.270341 -1.539411E-05 18.573023 11.515750 -3.943485E-06 18.097303 12.406699 2.812030E-06 20.022024 11.515750 -9.650289E-06 20.385877 11.002002 0.889807 20.571015 10.804382 -1.232158 20.222703 9.771574 -1.241398 20.222702 11.312798 -2.131208 22.077518 10.753029 -1.321106 22.809291 10.191766 -2.293264 22.316136 9.705744 -3.135096 24.183208 10.390039 -1.949835 24.974736 10.076364 -2.493149 24.249489 11.044189 -0.816788 25.394902 11.446685 -0.119631 26.383578 11.217224 -0.517080 25.175067 12.132925 1.069001 26.020960 12.476637 1.664339 23.922491 12.384689 1.505084 23.768913 12.924242 2.439640 22.783220 11.969315 0.785620 21.786686 12.190115 1.168068 23.004632 11.278138 -0.411565 20.569941 12.935705 -2.315731E-07 19.806551 13.898865 1.062748E-05 21.898795 13.063659 -2.814801E-06 22.485305 12.241403 -1.069317E-05 22.543073 14.361545 3.771436E-06 22.244684 14.915884 -0.889812 22.149994 15.169581 1.232153 21.070024 15.316818 1.241394 22.450516 14.631532 2.131203 22.847215 16.525345 1.194592 23.927300 16.378921 1.185798 22.426453 17.278645 -0.062836 21.346473 17.425863 -0.054531 22.924537 18.247802 -0.090178 22.707180 16.701459 -0.943829 22.454138 17.333381 2.426742 22.754662 16.795333 3.325791 22.952231 18.302561 2.400388 21.374168 17.480617 2.435985 24.058566 14.220957 -6.644147E-06 24.581849 13.108925 -1.886825E-05 24.764032 15.354333 -3.374206E-06 24.288311 16.245282 5.629947E-06 26.213032 15.354333 -1.078454E-05 26.576886 14.840584 0.889804 26.762021 14.642968 -1.232161 26.413710 13.610159 -1.241402 26.413708 15.151385 -2.131210 28.286404 14.664654 -1.194601 28.635496 15.697204 -1.185807 28.635498 14.155976 -0.296001 28.835394 13.953290 -2.426752 28.487082 12.920483 -2.435995 28.487082 14.461710 -3.325800 30.359778 13.974976 -2.389190 30.708870 15.007525 -2.380395 30.708870 13.466296 -1.490592 30.888968 13.289269 -3.576904 30.565959 13.760725 -4.409667 31.898559 13.303630 -3.552027 30.565957 12.332349 -3.585020 26.760949 16.774288 6.824416E-07 25.997560 17.737448 1.426525E-05 28.089803 16.902242 -3.220433E-06 28.676313 16.079986 -1.334745E-05 28.734081 18.200128 5.069325E-06 28.435692 18.754469 -0.889809 28.341003 19.008161 1.232156 27.261034 19.155398 1.241398 28.641527 18.470112 2.131205 29.039139 20.365704 1.194547 28.433144 21.309268 0.620041 30.171772 20.446199 1.740682 30.249574 18.059540 -7.394538E-06 30.772857 16.947508 -2.234241E-05 30.955040 19.192916 -2.804945E-06 30.479320 20.083865 8.447855E-06 32.404040 19.192917 -1.191881E-05 32.767895 18.679165 0.889802 32.767885 18.679187 -0.889842 32.934568 20.619459 1.784503E-06 32.159469 21.573222 1.805249E-05 34.261759 20.763639 -3.233774E-06 34.858272 19.948610 -1.558600E-05 34.890132 22.069299 6.952412E-06 34.584992 22.619955 -0.889806 34.585007 22.619934 0.889838 36.405625 21.928711 -7.554947E-06 36.928909 20.816680 -2.519660E-05 37.111091 23.062088 -1.675442E-06 36.467378 24.370292 1.764272E-05 36.160038 24.624561 1.014409 35.591855 24.345006 -0.648766 37.539906 25.279795 -0.521985 37.495819 26.226468 0.016499 37.389766 25.460495 -1.586366 38.847404 24.565728 -0.275700 39.343812 25.012639 0.585664 39.483640 24.668418 -1.154766 38.562091 23.062088 -1.250678E-05 38.960218 22.566742 -0.885578 39.108640 22.384348 1.248361 38.346055 21.870450 2.063722 40.435422 22.384355 1.396268 41.021347 22.819959 0.698385 41.078231 21.771728 2.541295 40.730993 22.254319 3.454876 40.753434 20.283924 2.622349 39.675564 20.151372 2.715758 41.103307 19.785351 1.718405 41.403806 19.715475 3.761991 41.199344 18.778890 3.813014 42.591468 21.913770 2.461145 43.114370 22.490004 1.509848 43.295434 21.385616 3.464993 42.820105 20.921247 4.225600 44.742227 21.454789 3.505101 45.154816 20.955203 2.628583 45.222661 22.902116 3.512319 44.874757 23.405477 2.610271 44.825081 23.413095 4.389206 46.651840 22.929726 3.552111 46.954277 23.840831 3.556657 45.288776 20.777048 4.753473 44.526189 20.263148 5.568831 46.615557 20.777056 4.901380 47.201482 21.212662 4.203499 47.258367 20.164427 6.046406 46.911128 20.647017 6.959988 47.009336 19.103763 6.079162 48.769782 20.315556 5.950136 49.279084 20.894271 4.992983 49.487525 19.792374 6.946806 49.023098 19.325677 7.712704 50.934216 19.870320 6.971537 51.340514 19.372620 6.091017 51.405932 21.320530 6.972737 51.045454 21.821143 6.074104 51.014578 21.829713 7.853460 52.930215 21.359216 6.999002 53.291444 20.859160 7.897644 53.322321 20.850592 6.118288 53.401932 22.809425 7.000204 53.041452 23.310040 6.101573 53.010578 23.318607 7.880929 54.879710 22.886458 7.025475 55.407037 22.025152 7.038771 55.545036 24.038069 7.031476 54.921168 25.212555 7.014998 53.911830 25.244570 6.997330 55.459608 26.067046 7.020227 56.874008 23.991273 7.054759 57.344659 23.097723 7.067226 57.406471 24.849502 7.059868 51.498050 19.196774 8.214482 50.747266 18.678849 9.038203 52.826299 19.204906 8.348321 53.696747 19.825994 7.357194 53.727137 20.902814 7.523428 53.312124 19.623918 6.357529 55.021605 19.167386 7.604147 55.813474 19.906847 7.484807 55.172739 18.355855 6.892335 54.967473 18.640817 9.018323 55.542889 19.299419 9.668891 55.396451 17.639137 9.045065 53.485805 18.596142 9.488435 53.275248 17.528264 9.546737 53.062812 19.267556 10.787190 52.214346 20.156668 10.782198 53.657703 18.839179 11.902907 54.661971 17.782374 11.883573 55.625758 18.201555 11.594602 54.369802 17.015882 11.165781 54.653948 17.276356 13.295621 55.675734 17.043131 13.595052 54.041181 16.377647 13.365907 54.074478 18.390702 14.133801 54.880455 18.896004 14.665939 53.372047 17.970460 14.853583 53.341617 19.398830 13.203784 52.291399 19.251911 13.455887 53.671961 20.883669 13.254869 54.084548 21.465685 12.254135 53.489225 21.496729 14.426616 52.998455 20.784663 15.600443 53.822022 20.247484 16.070844 52.227382 20.075359 15.299721 52.458121 21.883635 16.466641 52.690308 21.661509 17.508201 51.377631 21.957913 16.343657 53.141145 23.149578 16.007330 53.921004 23.415863 16.720780 52.407766 23.954219 15.954345 53.767728 22.909606 14.604423 53.150410 23.522789 13.947900 55.236861 23.213568 14.348021 56.001510 22.326600 13.975142 55.630621 24.473214 14.549193 54.964517 25.167633 14.856092 57.002764 24.889214 14.339982 57.659777 24.320301 14.997834 57.434290 24.652233 12.896635 57.352448 23.590941 12.661984 56.791331 25.222650 12.226315 58.790419 25.073892 12.729249 59.062067 24.924711 11.820650 57.177979 26.370921 14.640529 56.221989 27.050103 15.008272 58.277584 26.906243 14.519132 !entry.TC5b.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 15 0 0 0 0 17 34 0 0 0 0 36 55 0 0 0 0 57 74 0 0 0 0 76 91 0 0 0 0 93 115 0 0 0 0 117 134 0 0 0 0 136 156 0 0 0 0 158 168 0 0 0 0 170 175 0 0 0 0 177 182 0 0 0 0 184 196 0 0 0 0 198 207 0 0 0 0 209 218 0 0 0 0 220 225 0 0 0 0 227 249 0 0 0 0 251 263 0 0 0 0 265 277 0 0 0 0 279 291 0 0 0 0 293 0 0 0 0 0 !entry.TC5b.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "NASN" 1 17 1 "p" 0 "LEU" 2 20 17 "p" 0 "TYR" 3 22 36 "p" 0 "ILE" 4 20 57 "p" 0 "GLN" 5 18 76 "p" 0 "TRP" 6 25 93 "p" 0 "LEU" 7 20 117 "p" 0 "LYS" 8 23 136 "p" 0 "ASP" 9 13 158 "p" 0 "GLY" 10 8 170 "p" 0 "GLY" 11 8 177 "p" 0 "PRO" 12 15 184 "p" 0 "SER" 13 12 198 "p" 0 "SER" 14 12 209 "p" 0 "GLY" 15 8 220 "p" 0 "ARG" 16 25 227 "p" 0 "PRO" 17 15 251 "p" 0 "PRO" 18 15 265 "p" 0 "PRO" 19 15 279 "p" 0 "CSER" 20 13 293 "p" 0 !entry.TC5b.unit.residuesPdbSequenceNumber array int 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 !entry.TC5b.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.TC5b.unit.velocities table dbl x dbl y dbl z 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0