!!index array str "H2E" !entry.H2E.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 -0.516300 "H" "H" 0 1 131073 2 1 0.293600 "CA" "CT" 0 1 131073 3 6 0.330527 "HA" "H1" 0 1 131073 4 1 0.031846 "CB" "CT" 0 1 131073 5 6 -0.410313 "HB2" "HC" 0 1 131073 6 1 0.101457 "HB3" "HC" 0 1 131073 7 1 0.101457 "CG" "CC" 0 1 131073 8 6 0.240309 "ND1" "NA" 0 1 131073 9 7 -0.372805 "HD1" "H" 0 1 131073 10 1 0.355424 "CE1" "CR" 0 1 131073 11 6 0.039056 "HE1" "H5" 0 1 131073 12 1 0.212475 "NE2" "NA" 0 1 131073 13 7 -0.052173 "CD2" "CW" 0 1 131073 14 6 -0.225382 "HD2" "H4" 0 1 131073 15 1 0.265600 "P" "P" 0 1 131073 16 15 1.349034 "O1P" "O2" 0 1 131073 17 8 -0.899504 "O2P" "O2" 0 1 131073 18 8 -0.899504 "O3P" "O2" 0 1 131073 19 8 -0.899504 "C" "C" 0 1 131073 20 6 0.536600 "O" "O" 0 1 131073 21 8 -0.581900 !entry.H2E.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 0.0 "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" "CC" 0 -1 0.0 "ND1" "NA" 0 -1 0.0 "HD1" "H" 0 -1 0.0 "CE1" "CR" 0 -1 0.0 "HE1" "H5" 0 -1 0.0 "NE2" "NA" 0 -1 0.0 "CD2" "CW" 0 -1 0.0 "HD2" "H4" 0 -1 0.0 "P" "P" 0 -1 0.0 "O1P" "O2" 0 -1 0.0 "O2P" "O2" 0 -1 0.0 "O3P" "O2" 0 -1 0.0 "C" "C" 0 -1 0.0 "O" "O" 0 -1 0.0 !entry.H2E.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.H2E.unit.childsequence single int 2 !entry.H2E.unit.connect array int 1 20 !entry.H2E.unit.connectivity table int atom1x int atom2x int flags 1 2 17 1 3 17 3 4 17 3 5 17 3 20 17 5 7 17 5 6 17 5 8 17 8 14 17 8 9 17 9 10 17 9 11 17 11 12 17 11 13 17 13 14 17 13 16 17 14 15 17 16 17 17 16 18 17 16 19 17 20 21 17 !entry.H2E.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 "R" 1 "A" 20 "R" 1 "A" 21 !entry.H2E.unit.name single str "H2E" !entry.H2E.unit.positions table dbl x dbl y dbl z 1.673000 0.872000 -0.452000 0.880000 0.917000 -1.053000 1.824000 -0.307000 0.381000 1.488000 -0.100000 1.390000 1.027000 -1.488000 -0.183000 1.366000 -1.704000 -1.193000 1.259000 -2.356000 0.425000 -0.457000 -1.269000 -0.192000 -1.319000 -2.168000 -0.804000 -1.056000 -3.007000 -1.272000 -2.564000 -1.728000 -0.677000 -3.444000 -2.192000 -1.067000 -2.558000 -0.610000 -0.014000 -1.252000 -0.300000 0.296000 -1.019000 0.596000 0.827000 -4.030000 0.478000 0.221000 -4.075000 0.519000 1.705000 -3.491000 1.672000 -0.489000 -4.994000 -0.405000 -0.502000 3.277000 -0.764000 0.557000 3.602000 -1.294000 1.580000 !entry.H2E.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 20 0 0 0 0 !entry.H2E.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "H2E" 1 22 1 "p" 0 !entry.H2E.unit.residuesPdbSequenceNumber array int 1 !entry.H2E.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.H2E.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