!!index array str "H2D" !entry.H2D.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 0.038181 "HA" "H1" 0 1 131073 4 1 0.176397 "CB" "CT" 0 1 131073 5 6 -0.082771 "HB2" "HC" 0 1 131073 6 1 0.084382 "HB3" "HC" 0 1 131073 7 1 0.084382 "CG" "CC" 0 1 131073 8 6 0.133673 "ND1" "NA" 0 1 131073 9 7 -0.063926 "CE1" "CR" 0 1 131073 10 6 -0.032780 "HE1" "H5" 0 1 131073 11 1 0.207086 "NE2" "NA" 0 1 131073 12 7 -0.105531 "HE2" "H" 0 1 131073 13 1 0.294380 "CD2" "CW" 0 1 131073 14 6 -0.388691 "HD2" "H4" 0 1 131073 15 1 0.228345 "P" "P" 0 1 131073 16 15 1.363654 "O1P" "O2" 0 1 131073 17 8 -0.889594 "O2P" "O2" 0 1 131073 18 8 -0.889594 "O3P" "O2" 0 1 131073 19 8 -0.889594 "C" "C" 0 1 131073 20 6 0.536600 "O" "O" 0 1 131073 21 8 -0.581900 !entry.H2D.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 "CE1" "CR" 0 -1 0.0 "HE1" "H5" 0 -1 0.0 "NE2" "NA" 0 -1 0.0 "HE2" "H" 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.H2D.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.H2D.unit.childsequence single int 3 !entry.H2D.unit.connect array int 1 20 !entry.H2D.unit.connectivity table int atom1x int atom2x int flags 1 2 17 1 3 17 3 4 17 3 20 17 3 5 17 5 6 17 5 7 17 5 8 17 8 14 17 8 9 17 9 10 17 9 16 17 10 11 17 10 12 17 12 13 17 12 14 17 14 15 17 16 17 17 16 18 17 16 19 17 20 21 17 !entry.H2D.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.H2D.unit.name single str "H2D" !entry.H2D.unit.positions table dbl x dbl y dbl z 2.147000 -1.303000 -0.190000 1.623000 -2.128000 0.004000 1.396000 -0.088000 -0.457000 1.363000 0.096000 -1.523000 -0.026000 -0.295000 0.084000 -0.374000 -1.275000 -0.216000 -0.017000 -0.291000 1.169000 -1.053000 0.684000 -0.405000 -2.407000 0.423000 -0.223000 -3.091000 1.402000 -0.751000 -4.158000 1.446000 -0.763000 -2.261000 2.292000 -1.261000 -2.530000 3.131000 -1.723000 -0.964000 1.860000 -1.051000 -0.111000 2.424000 -1.354000 -3.152000 -1.092000 0.506000 -2.561000 -1.012000 1.871000 -4.578000 -0.699000 0.312000 -2.557000 -2.100000 -0.421000 2.057000 1.159000 0.140000 1.973000 2.215000 -0.432000 !entry.H2D.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 20 0 0 0 0 !entry.H2D.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "H2D" 1 22 1 "p" 0 !entry.H2D.unit.residuesPdbSequenceNumber array int 0 !entry.H2D.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.H2D.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