!!index array str "ILE" !entry.ILE.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "N" "N" 0 1 131073 1 7 -0.415700 "H" "H" 0 1 131073 2 1 0.271900 "CA" "CT" 0 1 131073 3 6 -0.059700 "HA" "H1" 0 1 131073 4 1 0.086900 "CB" "CT" 0 1 131073 5 6 0.130300 "HB" "HC" 0 1 131073 6 1 0.018700 "CG2" "CT" 0 1 131073 7 6 -0.320400 "HG21" "HC" 0 1 131073 8 1 0.088200 "HG22" "HC" 0 1 131073 9 1 0.088200 "HG23" "HC" 0 1 131073 10 1 0.088200 "CG1" "CT" 0 1 131073 11 6 -0.043000 "HG12" "HC" 0 1 131073 12 1 0.023600 "HG13" "HC" 0 1 131073 13 1 0.023600 "CD1" "CT" 0 1 131075 14 6 -0.066000 "HD11" "HC" 0 1 131075 15 1 0.018600 "HD12" "HC" 0 1 131075 16 1 0.018600 "HD13" "HC" 0 1 131075 17 1 0.018600 "C" "C" 0 1 131073 18 6 0.597300 "O" "O" 0 1 131073 19 8 -0.567900 !entry.ILE.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "N" "N" 0 -1 0.0 "H" "H" 0 -1 0.0 "CA" "CT" 0 -1 0.027800 "HA" "H1" 0 -1 -0.010000 "CB" "CT" 0 -1 -0.168200 "HB" "HC" 0 -1 0.048400 "CG2" "CT" 0 -1 -0.001200 "HG21" "HC" 0 -1 0.009100 "HG22" "HC" 0 -1 0.009100 "HG23" "HC" 0 -1 0.009100 "CG1" "CT" 0 -1 0.276200 "HG12" "HC" 0 -1 -0.055500 "HG13" "HC" 0 -1 -0.055500 "CD1" "HC" 0 -1 -0.145100 "HD11" "HD" 0 -1 0.018600 "HD12" "HD" 0 -1 0.018600 "HD13" "HD" 0 -1 0.018600 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 !entry.ILE.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.ILE.unit.childsequence single int 2 !entry.ILE.unit.connect array int 1 18 !entry.ILE.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 3 4 1 3 5 1 3 18 1 5 6 1 5 7 1 5 11 1 7 8 1 7 9 1 7 10 1 11 12 1 11 13 1 11 14 1 14 15 1 14 16 1 14 17 1 18 19 1 !entry.ILE.unit.hierarchy table str abovetype int abovex str belowtype int belowx "U" 0 "R" 1 "R" 1 "A" 1 "R" 1 "A" 2 "R" 1 "A" 3 "R" 1 "A" 4 "R" 1 "A" 5 "R" 1 "A" 6 "R" 1 "A" 7 "R" 1 "A" 8 "R" 1 "A" 9 "R" 1 "A" 10 "R" 1 "A" 11 "R" 1 "A" 12 "R" 1 "A" 13 "R" 1 "A" 14 "R" 1 "A" 15 "R" 1 "A" 16 "R" 1 "A" 17 "R" 1 "A" 18 "R" 1 "A" 19 !entry.ILE.unit.name single str "ILE" !entry.ILE.unit.positions table dbl x dbl y dbl z 3.325770 1.547909 -1.607257E-06 3.909407 0.723611 -2.739904E-06 3.970048 2.845795 -1.312144E-07 3.671663 3.400129 -0.889820 3.552136 3.620733 1.245168 2.470128 3.752486 1.245640 3.970045 2.845728 2.490296 5.052053 2.713974 2.490763 3.671561 3.399208 3.380615 3.485650 1.869275 2.490737 4.230204 4.986694 1.245169 5.312310 4.855746 1.245164 3.931820 5.541027 0.355348 3.812294 5.761632 2.490339 4.110777 5.208104 3.380628 4.296689 6.738085 2.490833 2.730286 5.893383 2.490813 5.485541 2.705207 -4.398851E-06 6.008824 1.593175 -8.449829E-06 !entry.ILE.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 18 0 0 0 0 !entry.ILE.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "ILE" 1 20 1 "p" 0 !entry.ILE.unit.residuesPdbSequenceNumber array int 0 !entry.ILE.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.ILE.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