!!index array str "lig" !entry.lig.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C1" "c3" 0 1 131072 1 6 -0.101100 "C2" "c3" 0 1 131072 2 6 -0.091100 "C3" "c3" 0 1 131072 3 6 -0.064700 "C4" "c3" 0 1 131072 4 6 -0.096400 "C5" "c3" 0 1 131072 5 6 0.063700 "C6" "c3" 0 1 131072 6 6 0.126100 "O1" "oh" 0 1 131072 7 8 -0.601800 "C7" "c3" 0 1 131072 8 6 -0.101400 "CA" "c3" 0 1 131072 9 6 -0.134700 "C9" "c3" 0 1 131072 10 6 -0.091100 "O" "o" 0 1 131072 11 8 -0.640300 "C12" "c2" 0 1 131072 12 6 0.620300 "N19" "n" 0 1 131072 19 7 -0.564900 "H20" "hn" 0 1 131072 20 1 0.300500 "H3" "hc" 0 1 131072 27 1 0.036700 "H42" "hc" 0 1 131072 28 1 0.050700 "H43" "hc" 0 1 131072 29 1 0.058700 "H5" "h1" 0 1 131072 30 1 0.100700 "H6" "h1" 0 1 131072 31 1 0.096700 "H72" "hc" 0 1 131072 32 1 0.050700 "H73" "hc" 0 1 131072 33 1 0.086700 "HA" "hc" 0 1 131072 34 1 0.071700 "HO1" "ho" 0 1 131072 35 1 0.395000 "H21" "hc" 0 1 131072 36 1 0.030700 "H22" "hc" 0 1 131072 37 1 0.034700 "H23" "hc" 0 1 131072 38 1 0.036700 "H11" "hc" 0 1 131072 39 1 0.032700 "H12" "hc" 0 1 131072 40 1 0.056700 "H13" "hc" 0 1 131072 41 1 0.036700 "H91" "hc" 0 1 131072 42 1 0.034700 "H92" "hc" 0 1 131072 43 1 0.052700 "H93" "hc" 0 1 131072 44 1 0.041700 !entry.lig.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C1" "c3" 0 -1 0.0 "C2" "c3" 0 -1 0.0 "C3" "c3" 0 -1 0.0 "C4" "c3" 0 -1 0.0 "C5" "c3" 0 -1 0.0 "C6" "c3" 0 -1 0.0 "O1" "oh" 0 -1 0.0 "C7" "c3" 0 -1 0.0 "CA" "c3" 0 -1 0.0 "C9" "c3" 0 -1 0.0 "O" "o" 0 -1 0.0 "C12" "c2" 0 -1 0.0 "N19" "n" 0 -1 0.0 "H20" "hn" 0 -1 0.0 "H3" "hc" 0 -1 0.0 "H42" "hc" 0 -1 0.0 "H43" "hc" 0 -1 0.0 "H5" "h1" 0 -1 0.0 "H6" "h1" 0 -1 0.0 "H72" "hc" 0 -1 0.0 "H73" "hc" 0 -1 0.0 "HA" "hc" 0 -1 0.0 "HO1" "ho" 0 -1 0.0 "H21" "hc" 0 -1 0.0 "H22" "hc" 0 -1 0.0 "H23" "hc" 0 -1 0.0 "H11" "hc" 0 -1 0.0 "H12" "hc" 0 -1 0.0 "H13" "hc" 0 -1 0.0 "H91" "hc" 0 -1 0.0 "H92" "hc" 0 -1 0.0 "H93" "hc" 0 -1 0.0 !entry.lig.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.lig.unit.childsequence single int 2 !entry.lig.unit.connect array int 0 0 !entry.lig.unit.connectivity table int atom1x int atom2x int flags 1 3 1 1 27 1 1 28 1 1 29 1 2 3 1 2 24 1 2 25 1 2 26 1 3 4 1 3 15 1 4 5 1 4 16 1 4 17 1 5 6 1 5 13 1 5 18 1 6 7 1 6 8 1 6 19 1 7 23 1 8 9 1 8 20 1 8 21 1 9 10 1 9 12 1 9 22 1 10 30 1 10 31 1 10 32 1 11 12 1 13 14 1 !entry.lig.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 "R" 1 "A" 22 "R" 1 "A" 23 "R" 1 "A" 24 "R" 1 "A" 25 "R" 1 "A" 26 "R" 1 "A" 27 "R" 1 "A" 28 "R" 1 "A" 29 "R" 1 "A" 30 "R" 1 "A" 31 "R" 1 "A" 32 !entry.lig.unit.name single str "1FKN.pdb" !entry.lig.unit.positions table dbl x dbl y dbl z 15.055000 -1.969000 -2.899000 16.351000 0.024000 -2.004000 15.109000 -0.894000 -1.811000 15.131000 -1.588000 -0.435000 13.733000 -2.113000 -0.057000 13.765000 -2.881000 1.280000 14.354000 -2.071000 2.313000 12.355000 -3.328000 1.708000 12.303000 -4.570000 2.603000 11.028000 -4.569000 3.448000 11.645000 -5.997000 0.696000 12.378000 -5.878000 1.733000 12.789000 -0.947000 -0.032000 13.127000 -0.020000 -0.245000 14.209000 -0.283000 -1.879000 15.459000 -0.873000 0.319000 15.831000 -2.423000 -0.466000 13.405000 -2.800000 -0.837000 14.381000 -3.771000 1.149000 11.891000 -2.504000 2.250000 11.768000 -3.525000 0.811000 13.162000 -4.550000 3.273000 13.807000 -1.296000 2.463000 16.369000 0.781000 -1.220000 16.295000 0.511000 -2.977000 17.259000 -0.577000 -1.950000 15.039000 -1.494000 -3.880000 14.154000 -2.570000 -2.772000 15.933000 -2.610000 -2.820000 11.008000 -5.459000 4.078000 10.158000 -4.569000 2.792000 11.009000 -3.679000 4.077000 !entry.lig.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 0 0 0 0 0 !entry.lig.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "0" 1 45 1 "?" 0 !entry.lig.unit.residuesPdbSequenceNumber array int 0 !entry.lig.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.lig.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