!!index array str "AR" "CHL" "DHA" "LAL" "MY" "OL" "PA" "PC" "PE" "PGR" "PGS" "PH-" "PS" "SA" "SPM" "ST" !entry.AR.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C116" "cD" 0 1 131073 1 6 0.039100 "H16R" "hL" 0 1 131073 2 1 0.028848 "H16S" "hL" 0 1 131073 3 1 0.028848 "C115" "cB" 0 1 131073 4 6 -0.244149 "H15R" "hB" 0 1 131073 5 1 0.132793 "C114" "cB" 0 1 131073 6 6 -0.224769 "H14R" "hB" 0 1 131073 7 1 0.129616 "C113" "cD" 0 1 131073 8 6 0.058197 "H13R" "hL" 0 1 131073 9 1 0.061350 "H13S" "hL" 0 1 131073 10 1 0.061350 "C112" "cB" 0 1 131073 11 6 -0.220164 "H12R" "hB" 0 1 131073 12 1 0.131986 "C111" "cB" 0 1 131073 13 6 -0.228704 "H11R" "hB" 0 1 131073 14 1 0.131341 "C110" "cD" 0 1 131073 15 6 0.095406 "H10R" "hL" 0 1 131073 16 1 0.051140 "H10S" "hL" 0 1 131073 17 1 0.051140 "C19" "cB" 0 1 131073 18 6 -0.228694 "H9R" "hB" 0 1 131073 19 1 0.132167 "C18" "cB" 0 1 131073 20 6 -0.228527 "H8R" "hB" 0 1 131073 21 1 0.134735 "C17" "cD" 0 1 131073 22 6 0.055784 "H7R" "hL" 0 1 131073 23 1 0.062775 "H7S" "hL" 0 1 131073 24 1 0.062775 "C16" "cB" 0 1 131073 25 6 -0.206786 "H6R" "hB" 0 1 131073 26 1 0.129858 "C15" "cB" 0 1 131073 27 6 -0.267890 "H5R" "hB" 0 1 131073 28 1 0.143577 "C14" "cD" 0 1 131073 29 6 0.031382 "H4R" "hL" 0 1 131073 30 1 0.038708 "H4S" "hL" 0 1 131073 31 1 0.038708 "C13" "cD" 0 1 131073 32 6 0.025626 "H3R" "hL" 0 1 131073 33 1 0.025117 "H3S" "hL" 0 1 131073 34 1 0.025117 "C12" "cD" 0 1 131073 35 6 -0.123935 "H2R" "hL" 0 1 131073 36 1 0.024535 "H2S" "hL" 0 1 131073 37 1 0.024535 "C117" "cD" 0 1 131073 45 6 -0.028398 "H17R" "hL" 0 1 131073 46 1 0.019581 "H17S" "hL" 0 1 131073 47 1 0.019581 "C118" "cD" 0 1 131073 48 6 -0.019772 "H18R" "hL" 0 1 131073 49 1 0.014218 "H18S" "hL" 0 1 131073 50 1 0.014218 "C119" "cD" 0 1 131073 51 6 0.024957 "H19R" "hL" 0 1 131073 52 1 0.005426 "H19S" "hL" 0 1 131073 53 1 0.005426 "C120" "cD" 0 1 131073 54 6 -0.109302 "H20R" "hL" 0 1 131073 55 1 0.023723 "H20S" "hL" 0 1 131073 56 1 0.023723 "H20T" "hL" 0 1 131073 57 1 0.023723 !entry.AR.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C116" "cD" 0 -1 0.0 "H16R" "hL" 0 -1 0.0 "H16S" "hL" 0 -1 0.0 "C115" "cB" 0 -1 0.0 "H15R" "hB" 0 -1 0.0 "C114" "cB" 0 -1 0.0 "H14R" "hB" 0 -1 0.0 "C113" "cD" 0 -1 0.0 "H13R" "hL" 0 -1 0.0 "H13S" "hL" 0 -1 0.0 "C112" "cB" 0 -1 0.0 "H12R" "hB" 0 -1 0.0 "C111" "cB" 0 -1 0.0 "H11R" "hB" 0 -1 0.0 "C110" "cD" 0 -1 0.0 "H10R" "hL" 0 -1 0.0 "H10S" "hL" 0 -1 0.0 "C19" "cB" 0 -1 0.0 "H9R" "hB" 0 -1 0.0 "C18" "cB" 0 -1 0.0 "H8R" "hB" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C16" "cB" 0 -1 0.0 "H6R" "hB" 0 -1 0.0 "C15" "cB" 0 -1 0.0 "H5R" "hB" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 "C117" "cD" 0 -1 0.0 "H17R" "hL" 0 -1 0.0 "H17S" "hL" 0 -1 0.0 "C118" "cD" 0 -1 0.0 "H18R" "hL" 0 -1 0.0 "H18S" "hL" 0 -1 0.0 "C119" "cD" 0 -1 0.0 "H19R" "hL" 0 -1 0.0 "H19S" "hL" 0 -1 0.0 "C120" "cD" 0 -1 0.0 "H20R" "hL" 0 -1 0.0 "H20S" "hL" 0 -1 0.0 "H20T" "hL" 0 -1 0.0 !entry.AR.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.AR.unit.childsequence single int 2 !entry.AR.unit.connect array int 35 35 !entry.AR.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 1 4 1 1 38 1 4 5 1 4 6 2 6 7 1 6 8 1 8 9 1 8 10 1 8 11 1 11 12 1 11 13 2 13 14 1 13 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 2 20 21 1 20 22 1 22 23 1 22 24 1 22 25 1 25 26 1 25 27 2 27 28 1 27 29 1 29 30 1 29 31 1 29 32 1 32 33 1 32 34 1 32 35 1 35 36 1 35 37 1 38 39 1 38 40 1 38 41 1 41 42 1 41 43 1 41 44 1 44 45 1 44 46 1 44 47 1 47 48 1 47 49 1 47 50 1 !entry.AR.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 "R" 1 "A" 45 "R" 1 "A" 46 "R" 1 "A" 47 "R" 1 "A" 48 "R" 1 "A" 49 "R" 1 "A" 50 !entry.AR.unit.name single str "AR" !entry.AR.unit.positions table dbl x dbl y dbl z -3.542000 1.263000 -0.507000 -4.373000 1.525000 0.147000 -2.920000 0.574000 0.053000 -4.106000 0.611000 -1.743000 -4.793000 1.231000 -2.299000 -3.871000 -0.600000 -2.218000 -4.393000 -0.888000 -3.118000 -2.969000 -1.670000 -1.649000 -2.270000 -1.252000 -0.937000 -2.374000 -2.080000 -2.465000 -3.766000 -2.788000 -1.011000 -4.712000 -3.005000 -1.481000 -3.426000 -3.504000 0.046000 -4.122000 -4.252000 0.390000 -2.146000 -3.387000 0.847000 -1.326000 -3.099000 0.203000 -1.897000 -4.375000 1.231000 -2.272000 -2.426000 2.011000 -3.242000 -2.408000 2.482000 -1.340000 -1.630000 2.505000 -1.611000 -1.007000 3.344000 0.097000 -1.490000 2.057000 0.316000 -2.162000 1.240000 0.737000 -1.797000 2.884000 0.442000 -0.063000 1.702000 0.227000 0.652000 2.481000 0.966000 0.404000 0.581000 1.145000 1.467000 0.528000 1.363000 -0.350000 -0.663000 0.783000 0.037000 -1.499000 1.119000 -1.403000 -0.583000 2.852000 -0.196000 -1.008000 3.101000 0.857000 -1.091000 3.031000 -0.640000 -1.984000 3.775000 -0.860000 0.024000 3.551000 -1.915000 0.111000 3.634000 -0.397000 0.994000 -2.747000 2.535000 -0.828000 -1.894000 2.273000 -1.450000 -3.364000 3.205000 -1.425000 -2.265000 3.270000 0.423000 -3.125000 3.537000 1.037000 -1.659000 2.595000 1.024000 -1.459000 4.532000 0.111000 -0.599000 4.267000 -0.501000 -2.064000 5.207000 -0.492000 -0.981000 5.263000 1.365000 -0.412000 6.152000 1.111000 -0.345000 4.625000 1.972000 -1.821000 5.573000 1.982000 !entry.AR.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 35 35 0 0 0 0 !entry.AR.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "AR" 1 58 1 "?" 0 !entry.AR.unit.residuesPdbSequenceNumber array int 0 !entry.AR.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.AR.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 !entry.CHL.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C1" "cA" 0 1 131073 1 6 -0.247736 "H11" "hA" 0 1 131073 2 1 0.048772 "H12" "hA" 0 1 131073 3 1 0.048772 "C2" "cA" 0 1 131073 4 6 -0.061498 "H21" "hA" 0 1 131073 5 1 0.048128 "H22" "hA" 0 1 131073 6 1 0.048128 "C3" "cA" 0 1 131073 7 6 0.400362 "H31" "hE" 0 1 131073 8 1 -0.008510 "C4" "cA" 0 1 131073 9 6 -0.237134 "H41" "hA" 0 1 131073 10 1 0.100619 "H42" "hA" 0 1 131073 11 1 0.100619 "C5" "cB" 0 1 131073 12 6 -0.257515 "C6" "cB" 0 1 131073 13 6 -0.243730 "H61" "hB" 0 1 131073 14 1 0.148607 "C7" "cA" 0 1 131073 15 6 -0.075453 "H71" "hA" 0 1 131073 16 1 0.051297 "H72" "hA" 0 1 131073 17 1 0.051297 "C8" "cA" 0 1 131073 18 6 0.017835 "H81" "hA" 0 1 131073 19 1 0.028120 "C9" "cA" 0 1 131073 20 6 -0.029839 "H91" "hA" 0 1 131073 21 1 -0.003361 "C10" "cA" 0 1 131073 22 6 0.546470 "C11" "cA" 0 1 131073 23 6 -0.127715 "H111" "hA" 0 1 131073 24 1 0.040257 "H112" "hA" 0 1 131073 25 1 0.040257 "C12" "cA" 0 1 131073 26 6 -0.158054 "H121" "hA" 0 1 131073 27 1 0.007687 "H122" "hA" 0 1 131073 28 1 0.007687 "C13" "cA" 0 1 131073 29 6 0.583692 "C14" "cA" 0 1 131073 30 6 0.013753 "H141" "hA" 0 1 131073 31 1 0.004469 "C15" "cA" 0 1 131073 32 6 -0.185047 "H151" "hA" 0 1 131073 33 1 0.041228 "H152" "hA" 0 1 131073 34 1 0.041228 "C16" "cA" 0 1 131073 35 6 -0.082919 "H161" "hA" 0 1 131073 36 1 0.027639 "H162" "hA" 0 1 131073 37 1 0.027639 "C17" "cA" 0 1 131073 38 6 -0.051767 "H171" "hA" 0 1 131073 39 1 -0.030436 "C18" "cA" 0 1 131073 40 6 -0.536004 "H181" "hA" 0 1 131073 41 1 0.103623 "H182" "hA" 0 1 131073 42 1 0.103623 "H183" "hA" 0 1 131073 43 1 0.103623 "C19" "cA" 0 1 131073 44 6 -0.352218 "H191" "hA" 0 1 131073 45 1 0.072469 "H192" "hA" 0 1 131073 46 1 0.072469 "H193" "hA" 0 1 131073 47 1 0.072469 "C20" "cD" 0 1 131075 48 6 0.178752 "H201" "hL" 0 1 131075 49 1 -0.016015 "C21" "cD" 0 1 131075 50 6 -0.427968 "H211" "hL" 0 1 131075 51 1 0.099219 "H212" "hL" 0 1 131075 52 1 0.099219 "H213" "hL" 0 1 131075 53 1 0.099219 "C22" "cD" 0 1 131075 54 6 -0.050256 "H221" "hL" 0 1 131075 55 1 0.009445 "H222" "hL" 0 1 131075 56 1 0.009445 "C23" "cD" 0 1 131075 57 6 0.078665 "H231" "hL" 0 1 131075 58 1 -0.007957 "H232" "hL" 0 1 131075 59 1 -0.007957 "C24" "cD" 0 1 131075 60 6 -0.282133 "H241" "hL" 0 1 131075 61 1 0.062972 "H242" "hL" 0 1 131075 62 1 0.062972 "C25" "cD" 0 1 131075 63 6 0.450601 "H251" "hL" 0 1 131075 64 1 -0.049128 "C26" "cD" 0 1 131075 65 6 -0.449300 "H261" "hL" 0 1 131075 66 1 0.099869 "H262" "hL" 0 1 131075 67 1 0.099869 "H263" "hL" 0 1 131075 68 1 0.099869 "C27" "cD" 0 1 131075 69 6 -0.449300 "H271" "hL" 0 1 131075 70 1 0.099869 "H272" "hL" 0 1 131075 71 1 0.099869 "H273" "hL" 0 1 131075 72 1 0.099869 "O1" "oH" 0 1 131073 73 8 -0.766581 "HO1" "hO" 0 1 131073 74 1 0.442970 !entry.CHL.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C1" "cA" 0 -1 0.0 "H11" "hA" 0 -1 0.0 "H12" "hA" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "H21" "hA" 0 -1 0.0 "H22" "hA" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "H31" "hE" 0 -1 0.0 "C4" "cA" 0 -1 0.0 "H41" "hA" 0 -1 0.0 "H42" "hA" 0 -1 0.0 "C5" "cB" 0 -1 0.0 "C6" "cB" 0 -1 0.0 "H61" "hB" 0 -1 0.0 "C7" "cA" 0 -1 0.0 "H71" "hA" 0 -1 0.0 "H72" "hA" 0 -1 0.0 "C8" "cA" 0 -1 0.0 "H81" "hA" 0 -1 0.0 "C9" "cA" 0 -1 0.0 "H91" "hA" 0 -1 0.0 "C10" "cA" 0 -1 0.0 "C11" "cA" 0 -1 0.0 "H111" "hA" 0 -1 0.0 "H112" "hA" 0 -1 0.0 "C12" "cA" 0 -1 0.0 "H121" "hA" 0 -1 0.0 "H122" "hA" 0 -1 0.0 "C13" "cA" 0 -1 0.0 "C14" "cA" 0 -1 0.0 "H141" "hA" 0 -1 0.0 "C15" "cA" 0 -1 0.0 "H151" "hA" 0 -1 0.0 "H152" "hA" 0 -1 0.0 "C16" "cA" 0 -1 0.0 "H161" "hA" 0 -1 0.0 "H162" "hA" 0 -1 0.0 "C17" "cA" 0 -1 0.0 "H171" "hA" 0 -1 0.0 "C18" "cA" 0 -1 0.0 "H181" "hA" 0 -1 0.0 "H182" "hA" 0 -1 0.0 "H183" "hA" 0 -1 0.0 "C19" "cA" 0 -1 0.0 "H191" "hA" 0 -1 0.0 "H192" "hA" 0 -1 0.0 "H193" "hA" 0 -1 0.0 "C20" "cA" 0 -1 0.0 "H201" "hA" 0 -1 0.0 "C21" "cA" 0 -1 0.0 "H211" "hA" 0 -1 0.0 "H212" "hA" 0 -1 0.0 "H213" "hA" 0 -1 0.0 "C22" "cA" 0 -1 0.0 "H221" "hA" 0 -1 0.0 "H222" "hA" 0 -1 0.0 "C23" "cA" 0 -1 0.0 "H231" "hA" 0 -1 0.0 "H232" "hA" 0 -1 0.0 "C24" "cA" 0 -1 0.0 "H241" "hA" 0 -1 0.0 "H242" "hA" 0 -1 0.0 "C25" "cA" 0 -1 0.0 "H251" "hA" 0 -1 0.0 "C26" "cA" 0 -1 0.0 "H261" "hA" 0 -1 0.0 "H262" "hA" 0 -1 0.0 "H263" "hA" 0 -1 0.0 "C27" "cA" 0 -1 0.0 "H271" "hA" 0 -1 0.0 "H272" "hA" 0 -1 0.0 "H273" "hA" 0 -1 0.0 "O1" "oH" 0 -1 0.0 "HO1" "hO" 0 -1 0.0 !entry.CHL.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.CHL.unit.childsequence single int 2 !entry.CHL.unit.connect array int 0 0 !entry.CHL.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 1 4 1 1 22 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 73 1 9 10 1 9 11 1 9 12 1 12 13 2 12 22 1 13 14 1 13 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 1 18 30 1 20 21 1 20 22 1 20 23 1 22 44 1 23 24 1 23 25 1 23 26 1 26 27 1 26 28 1 26 29 1 29 30 1 29 38 1 29 40 1 30 31 1 30 32 1 32 33 1 32 34 1 32 35 1 35 36 1 35 37 1 35 38 1 38 39 1 38 48 1 40 41 1 40 42 1 40 43 1 44 45 1 44 46 1 44 47 1 48 49 1 48 50 1 48 54 1 50 51 1 50 52 1 50 53 1 54 55 1 54 56 1 54 57 1 57 58 1 57 59 1 57 60 1 60 61 1 60 62 1 60 63 1 63 64 1 63 65 1 63 69 1 65 66 1 65 67 1 65 68 1 69 70 1 69 71 1 69 72 1 73 74 1 !entry.CHL.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 "R" 1 "A" 45 "R" 1 "A" 46 "R" 1 "A" 47 "R" 1 "A" 48 "R" 1 "A" 49 "R" 1 "A" 50 "R" 1 "A" 51 "R" 1 "A" 52 "R" 1 "A" 53 "R" 1 "A" 54 "R" 1 "A" 55 "R" 1 "A" 56 "R" 1 "A" 57 "R" 1 "A" 58 "R" 1 "A" 59 "R" 1 "A" 60 "R" 1 "A" 61 "R" 1 "A" 62 "R" 1 "A" 63 "R" 1 "A" 64 "R" 1 "A" 65 "R" 1 "A" 66 "R" 1 "A" 67 "R" 1 "A" 68 "R" 1 "A" 69 "R" 1 "A" 70 "R" 1 "A" 71 "R" 1 "A" 72 "R" 1 "A" 73 "R" 1 "A" 74 !entry.CHL.unit.name single str "CHL" !entry.CHL.unit.positions table dbl x dbl y dbl z 4.697000 -1.469000 -0.739000 4.428000 -1.214000 -1.762000 4.303000 -2.462000 -0.556000 6.224000 -1.517000 -0.642000 6.547000 -1.874000 0.331000 6.617000 -2.214000 -1.376000 6.830000 -0.145000 -0.877000 6.590000 0.176000 -1.891000 6.246000 0.863000 0.111000 6.601000 0.589000 1.102000 6.636000 1.856000 -0.095000 4.731000 0.895000 0.070000 4.091000 2.041000 -0.088000 4.668000 2.946000 -0.204000 2.599000 2.206000 -0.119000 2.323000 3.070000 0.480000 2.290000 2.443000 -1.137000 1.853000 0.964000 0.375000 1.922000 0.946000 1.460000 2.514000 -0.306000 -0.204000 2.518000 -0.165000 -1.285000 4.012000 -0.452000 0.214000 1.671000 -1.566000 0.076000 2.085000 -2.410000 -0.467000 1.730000 -1.829000 1.125000 0.190000 -1.429000 -0.312000 0.108000 -1.322000 -1.392000 -0.312000 -2.355000 -0.056000 -0.469000 -0.212000 0.358000 0.381000 1.015000 -0.041000 0.381000 1.020000 -1.132000 -0.462000 2.215000 0.391000 -0.304000 2.443000 1.442000 -0.217000 3.115000 -0.163000 -1.913000 1.751000 0.131000 -2.537000 1.930000 1.001000 -2.357000 2.309000 -0.684000 -1.859000 0.228000 -0.203000 -1.794000 0.127000 -1.286000 -0.546000 -0.407000 1.886000 -1.062000 0.412000 2.374000 0.431000 -0.485000 2.344000 -1.086000 -1.316000 2.130000 4.156000 -0.937000 1.675000 3.579000 -0.319000 2.354000 5.185000 -0.898000 2.008000 3.826000 -1.963000 1.788000 -3.141000 -0.519000 0.237000 -3.267000 -0.372000 1.309000 -3.080000 -2.029000 -0.029000 -2.330000 -2.520000 0.577000 -2.851000 -2.232000 -1.072000 -4.025000 -2.508000 0.198000 -4.375000 0.093000 -0.461000 -4.324000 1.175000 -0.403000 -4.337000 -0.153000 -1.522000 -5.732000 -0.335000 0.111000 -5.862000 -1.406000 0.010000 -5.752000 -0.121000 1.179000 -6.898000 0.389000 -0.569000 -6.718000 1.461000 -0.516000 -6.910000 0.137000 -1.629000 -8.286000 0.104000 0.028000 -8.244000 0.333000 1.092000 -8.705000 -1.362000 -0.122000 -8.034000 -2.035000 0.400000 -8.723000 -1.655000 -1.169000 -9.702000 -1.521000 0.280000 -9.336000 1.023000 -0.605000 -9.079000 2.069000 -0.470000 -10.316000 0.862000 -0.166000 -9.420000 0.839000 -1.674000 8.224000 -0.262000 -0.734000 8.633000 0.570000 -0.924000 !entry.CHL.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 0 0 0 0 0 !entry.CHL.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "CHL" 1 75 1 "?" 0 !entry.CHL.unit.residuesPdbSequenceNumber array int 0 !entry.CHL.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.CHL.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 !entry.DHA.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C116" "cB" 0 1 131073 1 6 -0.233897 "H16R" "hB" 0 1 131073 2 1 0.133812 "C115" "cD" 0 1 131073 3 6 0.069215 "H15R" "hL" 0 1 131073 4 1 0.058341 "H15S" "hL" 0 1 131073 5 1 0.058341 "C114" "cB" 0 1 131073 6 6 -0.240419 "H14R" "hB" 0 1 131073 7 1 0.138337 "C113" "cB" 0 1 131073 8 6 -0.218668 "H13R" "hB" 0 1 131073 9 1 0.131575 "C112" "cD" 0 1 131073 10 6 0.085245 "H12R" "hL" 0 1 131073 11 1 0.053422 "H12S" "hL" 0 1 131073 12 1 0.053422 "C111" "cB" 0 1 131073 13 6 -0.241205 "H11R" "hB" 0 1 131073 14 1 0.136308 "C110" "cB" 0 1 131073 15 6 -0.221433 "H10R" "hB" 0 1 131073 16 1 0.133628 "C19" "cD" 0 1 131073 17 6 0.089043 "H9R" "hL" 0 1 131073 18 1 0.054255 "H9S" "hL" 0 1 131073 19 1 0.054255 "C18" "cB" 0 1 131073 20 6 -0.226254 "H8R" "hB" 0 1 131073 21 1 0.128147 "C17" "cB" 0 1 131073 22 6 -0.220895 "H7R" "hB" 0 1 131073 23 1 0.139863 "C16" "cD" 0 1 131073 24 6 0.060337 "H6R" "hL" 0 1 131073 25 1 0.063515 "H6S" "hL" 0 1 131073 26 1 0.063515 "C15" "cB" 0 1 131073 27 6 -0.214845 "H5R" "hB" 0 1 131073 28 1 0.132504 "C14" "cB" 0 1 131073 29 6 -0.287059 "H4R" "hB" 0 1 131073 30 1 0.154038 "C13" "cD" 0 1 131073 31 6 0.120999 "H3R" "hL" 0 1 131073 32 1 0.026097 "H3S" "hL" 0 1 131073 33 1 0.026097 "C12" "cD" 0 1 131073 34 6 -0.142937 "H2R" "hL" 0 1 131073 35 1 0.037544 "H2S" "hL" 0 1 131073 36 1 0.037544 "C117" "cB" 0 1 131073 44 6 -0.216499 "H17R" "hB" 0 1 131073 45 1 0.132121 "C118" "cD" 0 1 131073 46 6 0.092718 "H18R" "hL" 0 1 131073 47 1 0.053227 "H18S" "hL" 0 1 131073 48 1 0.053227 "C119" "cB" 0 1 131073 49 6 -0.246833 "H19R" "hB" 0 1 131073 50 1 0.136323 "C120" "cB" 0 1 131073 51 6 -0.240216 "H20R" "hB" 0 1 131073 52 1 0.133048 "C121" "cD" 0 1 131073 53 6 0.122022 "H21R" "hL" 0 1 131073 54 1 0.010042 "H21S" "hL" 0 1 131073 55 1 0.010042 "C122" "cD" 0 1 131073 56 6 -0.108913 "H22R" "hL" 0 1 131073 57 1 0.025968 "H22S" "hL" 0 1 131073 58 1 0.025968 "H22T" "hL" 0 1 131073 59 1 0.025968 !entry.DHA.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C116" "cB" 0 -1 0.0 "H16R" "hB" 0 -1 0.0 "C115" "cD" 0 -1 0.0 "H15R" "hL" 0 -1 0.0 "H15S" "hL" 0 -1 0.0 "C114" "cB" 0 -1 0.0 "H14R" "hB" 0 -1 0.0 "C113" "cB" 0 -1 0.0 "H13R" "hB" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C111" "cB" 0 -1 0.0 "H11R" "hB" 0 -1 0.0 "C110" "cB" 0 -1 0.0 "H10R" "hB" 0 -1 0.0 "C19" "cD" 0 -1 0.0 "H9R" "hL" 0 -1 0.0 "H9S" "hL" 0 -1 0.0 "C18" "cB" 0 -1 0.0 "H8R" "hB" 0 -1 0.0 "C17" "cB" 0 -1 0.0 "H7R" "hB" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C15" "cB" 0 -1 0.0 "H5R" "hB" 0 -1 0.0 "C14" "cB" 0 -1 0.0 "H4R" "hB" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 "C117" "cB" 0 -1 0.0 "H17R" "hB" 0 -1 0.0 "C118" "cD" 0 -1 0.0 "H18R" "hL" 0 -1 0.0 "H18S" "hL" 0 -1 0.0 "C119" "cB" 0 -1 0.0 "H19R" "hB" 0 -1 0.0 "C120" "cB" 0 -1 0.0 "H20R" "hB" 0 -1 0.0 "C121" "cD" 0 -1 0.0 "H21R" "hL" 0 -1 0.0 "H21S" "hL" 0 -1 0.0 "C122" "cD" 0 -1 0.0 "H22R" "hL" 0 -1 0.0 "H22S" "hL" 0 -1 0.0 "H22T" "hL" 0 -1 0.0 !entry.DHA.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.DHA.unit.childsequence single int 2 !entry.DHA.unit.connect array int 34 34 !entry.DHA.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 1 37 2 3 4 1 3 5 1 3 6 1 6 7 1 6 8 2 8 9 1 8 10 1 10 11 1 10 12 1 10 13 1 13 14 1 13 15 2 15 16 1 15 17 1 17 18 1 17 19 1 17 20 1 20 21 1 20 22 2 22 23 1 22 24 1 24 25 1 24 26 1 24 27 1 27 28 1 27 29 2 29 30 1 29 31 1 31 32 1 31 33 1 31 34 1 34 35 1 34 36 1 37 38 1 37 39 1 39 40 1 39 41 1 39 42 1 42 43 1 42 44 2 44 45 1 44 46 1 46 47 1 46 48 1 46 49 1 49 50 1 49 51 1 49 52 1 !entry.DHA.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 "R" 1 "A" 45 "R" 1 "A" 46 "R" 1 "A" 47 "R" 1 "A" 48 "R" 1 "A" 49 "R" 1 "A" 50 "R" 1 "A" 51 "R" 1 "A" 52 !entry.DHA.unit.name single str "DHA" !entry.DHA.unit.positions table dbl x dbl y dbl z 6.186000 0.815000 -0.603000 5.772000 1.811000 -0.619000 5.152000 -0.282000 -0.706000 5.627000 -1.257000 -0.734000 4.618000 -0.174000 -1.644000 4.194000 -0.242000 0.462000 4.661000 -0.419000 1.419000 2.893000 -0.010000 0.455000 2.380000 -0.028000 1.404000 1.993000 0.270000 -0.727000 2.572000 0.350000 -1.640000 1.515000 1.232000 -0.581000 0.961000 -0.820000 -0.898000 1.380000 -1.795000 -1.094000 -0.357000 -0.729000 -0.828000 -0.925000 -1.634000 -0.972000 -1.204000 0.493000 -0.557000 -1.860000 0.659000 -1.404000 -0.584000 1.379000 -0.470000 -2.001000 0.333000 0.716000 -1.397000 0.236000 1.605000 -3.314000 0.284000 0.867000 -3.695000 0.166000 1.869000 -4.387000 0.387000 -0.193000 -4.997000 -0.509000 -0.162000 -3.948000 0.424000 -1.183000 -5.236000 1.620000 0.008000 -4.695000 2.548000 -0.092000 -6.524000 1.695000 0.297000 -6.951000 2.681000 0.401000 -7.505000 0.570000 0.499000 -7.983000 0.686000 1.467000 -7.007000 -0.392000 0.505000 -8.592000 0.571000 -0.593000 -8.148000 0.420000 -1.567000 -9.110000 1.525000 -0.592000 7.499000 0.703000 -0.489000 8.069000 1.616000 -0.419000 8.338000 -0.552000 -0.428000 7.719000 -1.435000 -0.548000 9.032000 -0.549000 -1.261000 9.079000 -0.651000 0.885000 8.435000 -0.701000 1.750000 10.384000 -0.673000 1.094000 10.715000 -0.743000 2.120000 11.504000 -0.603000 0.088000 12.102000 -1.509000 0.169000 11.121000 -0.579000 -0.925000 12.411000 0.611000 0.320000 13.235000 0.621000 -0.387000 12.834000 0.599000 1.320000 11.857000 1.537000 0.206000 !entry.DHA.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 34 34 0 0 0 0 !entry.DHA.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "DHA" 1 60 1 "?" 0 !entry.DHA.unit.residuesPdbSequenceNumber array int 0 !entry.DHA.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.DHA.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 !entry.LAL.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "H12T" "hL" 0 1 131073 1 1 0.025809 "C112" "cD" 0 1 131073 2 6 -0.118534 "H12R" "hL" 0 1 131073 3 1 0.025809 "H12S" "hL" 0 1 131073 4 1 0.025809 "C111" "cD" 0 1 131073 5 6 0.023320 "H11R" "hL" 0 1 131073 6 1 0.008276 "H11S" "hL" 0 1 131073 7 1 0.008276 "C110" "cD" 0 1 131073 8 6 -0.019575 "H10R" "hL" 0 1 131073 9 1 0.015163 "H10S" "hL" 0 1 131073 10 1 0.015163 "C19" "cD" 0 1 131073 11 6 -0.021975 "H9R" "hL" 0 1 131073 12 1 0.005869 "H9S" "hL" 0 1 131073 13 1 0.005869 "C18" "cD" 0 1 131073 14 6 -0.020879 "H8R" "hL" 0 1 131073 15 1 0.010385 "H8S" "hL" 0 1 131073 16 1 0.010385 "C17" "cD" 0 1 131073 17 6 -0.019279 "H7R" "hL" 0 1 131073 18 1 0.011207 "H7S" "hL" 0 1 131073 19 1 0.011207 "C16" "cD" 0 1 131073 20 6 -0.019631 "H6R" "hL" 0 1 131073 21 1 0.010236 "H6S" "hL" 0 1 131073 22 1 0.010236 "C15" "cD" 0 1 131073 23 6 -0.015735 "H5R" "hL" 0 1 131073 24 1 0.009551 "H5S" "hL" 0 1 131073 25 1 0.009551 "C14" "cD" 0 1 131073 26 6 -0.024078 "H4R" "hL" 0 1 131073 27 1 0.020580 "H4S" "hL" 0 1 131073 28 1 0.020580 "C13" "cD" 0 1 131073 29 6 0.001510 "H3R" "hL" 0 1 131073 30 1 0.019108 "H3S" "hL" 0 1 131073 31 1 0.019108 "C12" "cD" 0 1 131073 32 6 -0.172159 "H2R" "hL" 0 1 131073 33 1 0.054419 "H2S" "hL" 0 1 131073 34 1 0.054419 !entry.LAL.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "H12T" "hL" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C111" "cD" 0 -1 0.0 "H11R" "hL" 0 -1 0.0 "H11S" "hL" 0 -1 0.0 "C110" "cD" 0 -1 0.0 "H10R" "hL" 0 -1 0.0 "H10S" "hL" 0 -1 0.0 "C19" "cD" 0 -1 0.0 "H9R" "hL" 0 -1 0.0 "H9S" "hL" 0 -1 0.0 "C18" "cD" 0 -1 0.0 "H8R" "hL" 0 -1 0.0 "H8S" "hL" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C15" "cD" 0 -1 0.0 "H5R" "hL" 0 -1 0.0 "H5S" "hL" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 !entry.LAL.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.LAL.unit.childsequence single int 2 !entry.LAL.unit.connect array int 32 32 !entry.LAL.unit.connectivity table int atom1x int atom2x int flags 1 2 1 2 3 1 2 4 1 2 5 1 5 8 1 5 7 1 5 6 1 8 11 1 8 10 1 8 9 1 11 14 1 11 13 1 11 12 1 14 17 1 14 16 1 14 15 1 17 20 1 17 19 1 17 18 1 20 23 1 20 22 1 20 21 1 23 26 1 23 25 1 23 24 1 26 29 1 26 28 1 26 27 1 29 32 1 29 30 1 29 31 1 32 34 1 32 33 1 !entry.LAL.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 "R" 1 "A" 33 "R" 1 "A" 34 !entry.LAL.unit.name single str "LAL" !entry.LAL.unit.positions table dbl x dbl y dbl z 72.456000 10.844000 19.346000 71.871000 10.231000 18.815000 71.178000 9.870000 19.578000 72.578000 9.424000 18.604000 71.063000 10.566000 17.542000 71.736000 10.898000 16.748000 70.381000 11.389000 17.765000 70.248000 9.346000 17.062000 69.657000 8.960000 17.896000 70.930000 8.552000 16.748000 69.295000 9.709000 15.900000 69.867000 10.082000 15.047000 68.620000 10.502000 16.225000 68.458000 8.485000 15.479000 67.960000 8.078000 16.362000 69.123000 7.713000 15.091000 67.396000 8.833000 14.413000 67.887000 9.155000 13.492000 66.788000 9.669000 14.765000 66.494000 7.608000 14.129000 66.260000 7.108000 15.071000 67.042000 6.887000 13.518000 65.152000 7.963000 13.447000 64.552000 8.556000 14.137000 64.602000 7.038000 13.264000 65.314000 8.740000 12.120000 66.094000 8.276000 11.515000 65.638000 9.759000 12.335000 64.012000 8.783000 11.285000 63.755000 7.770000 10.968000 64.207000 9.367000 10.384000 62.815000 9.404000 12.036000 63.101000 10.354000 12.488000 62.489000 8.734000 12.830000 !entry.LAL.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 32 32 0 0 0 0 !entry.LAL.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "LAL" 1 35 1 "?" 0 !entry.LAL.unit.residuesPdbSequenceNumber array int 1 !entry.LAL.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.LAL.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 !entry.MY.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "H14T" "hL" 0 1 131073 1 1 0.025511 "C114" "cD" 0 1 131073 2 6 -0.111712 "H14R" "hL" 0 1 131073 3 1 0.025511 "H14S" "hL" 0 1 131073 4 1 0.025511 "C113" "cD" 0 1 131073 5 6 0.017463 "H13R" "hL" 0 1 131073 6 1 0.007531 "H13S" "hL" 0 1 131073 7 1 0.007531 "C112" "cD" 0 1 131073 8 6 -0.028094 "H12R" "hL" 0 1 131073 9 1 0.017208 "H12S" "hL" 0 1 131073 10 1 0.017208 "C111" "cD" 0 1 131073 11 6 -0.031787 "H11R" "hL" 0 1 131073 12 1 0.012677 "H11S" "hL" 0 1 131073 13 1 0.012677 "C110" "cD" 0 1 131073 14 6 -0.021025 "H10R" "hL" 0 1 131073 15 1 0.010037 "H10S" "hL" 0 1 131073 16 1 0.010037 "C19" "cD" 0 1 131073 17 6 -0.014653 "H9R" "hL" 0 1 131073 18 1 0.010172 "H9S" "hL" 0 1 131073 19 1 0.010172 "C18" "cD" 0 1 131073 20 6 -0.026451 "H8R" "hL" 0 1 131073 21 1 0.011241 "H8S" "hL" 0 1 131073 22 1 0.011241 "C17" "cD" 0 1 131073 23 6 -0.004386 "H7R" "hL" 0 1 131073 24 1 0.006833 "H7S" "hL" 0 1 131073 25 1 0.006833 "C16" "cD" 0 1 131073 26 6 -0.027812 "H6R" "hL" 0 1 131073 27 1 0.011511 "H6S" "hL" 0 1 131073 28 1 0.011511 "C15" "cD" 0 1 131073 29 6 -0.016521 "H5R" "hL" 0 1 131073 30 1 0.010573 "H5S" "hL" 0 1 131073 31 1 0.010573 "C14" "cD" 0 1 131073 32 6 -0.026954 "H4R" "hL" 0 1 131073 33 1 0.020431 "H4S" "hL" 0 1 131073 34 1 0.020431 "C13" "cD" 0 1 131073 35 6 -0.002435 "H3R" "hL" 0 1 131073 36 1 0.018859 "H3S" "hL" 0 1 131073 37 1 0.018859 "C12" "cD" 0 1 131073 38 6 -0.164200 "H2R" "hL" 0 1 131073 39 1 0.053944 "H2S" "hL" 0 1 131073 40 1 0.053944 !entry.MY.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "H14T" "hL" 0 -1 0.0 "C114" "cD" 0 -1 0.0 "H14R" "hL" 0 -1 0.0 "H14S" "hL" 0 -1 0.0 "C113" "cD" 0 -1 0.0 "H13R" "hL" 0 -1 0.0 "H13S" "hL" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C111" "cD" 0 -1 0.0 "H11R" "hL" 0 -1 0.0 "H11S" "hL" 0 -1 0.0 "C110" "cD" 0 -1 0.0 "H10R" "hL" 0 -1 0.0 "H10S" "hL" 0 -1 0.0 "C19" "cD" 0 -1 0.0 "H9R" "hL" 0 -1 0.0 "H9S" "hL" 0 -1 0.0 "C18" "cD" 0 -1 0.0 "H8R" "hL" 0 -1 0.0 "H8S" "hL" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C15" "cD" 0 -1 0.0 "H5R" "hL" 0 -1 0.0 "H5S" "hL" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 !entry.MY.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.MY.unit.childsequence single int 2 !entry.MY.unit.connect array int 38 38 !entry.MY.unit.connectivity table int atom1x int atom2x int flags 1 2 1 2 5 1 2 3 1 2 4 1 5 8 1 5 6 1 5 7 1 8 11 1 8 10 1 8 9 1 11 14 1 11 12 1 11 13 1 14 17 1 14 16 1 14 15 1 17 20 1 17 18 1 17 19 1 20 23 1 20 22 1 20 21 1 23 26 1 23 24 1 23 25 1 26 29 1 26 27 1 26 28 1 29 32 1 29 30 1 29 31 1 32 35 1 32 34 1 32 33 1 35 38 1 35 37 1 35 36 1 38 40 1 38 39 1 !entry.MY.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 !entry.MY.unit.name single str "MY" !entry.MY.unit.positions table dbl x dbl y dbl z 72.992000 10.982000 21.559000 73.387000 11.208000 20.669000 74.081000 10.373000 20.543000 73.988000 12.092000 20.900000 72.635000 11.469000 19.341000 73.359000 11.785000 18.585000 71.940000 12.299000 19.482000 71.871000 10.231000 18.815000 71.178000 9.870000 19.578000 72.578000 9.424000 18.604000 71.063000 10.566000 17.542000 71.736000 10.898000 16.748000 70.381000 11.389000 17.765000 70.248000 9.346000 17.062000 69.657000 8.960000 17.896000 70.930000 8.552000 16.748000 69.295000 9.709000 15.900000 69.867000 10.082000 15.047000 68.620000 10.502000 16.225000 68.458000 8.485000 15.479000 67.960000 8.078000 16.362000 69.123000 7.713000 15.091000 67.396000 8.833000 14.413000 67.887000 9.155000 13.492000 66.788000 9.669000 14.765000 66.494000 7.608000 14.129000 66.260000 7.108000 15.071000 67.042000 6.887000 13.518000 65.152000 7.963000 13.447000 64.552000 8.556000 14.137000 64.602000 7.038000 13.264000 65.314000 8.740000 12.120000 66.094000 8.276000 11.515000 65.638000 9.759000 12.335000 64.012000 8.783000 11.285000 63.755000 7.770000 10.968000 64.207000 9.367000 10.384000 62.815000 9.404000 12.036000 63.101000 10.354000 12.488000 62.489000 8.734000 12.830000 !entry.MY.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 38 38 0 0 0 0 !entry.MY.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "MY" 1 41 1 "?" 0 !entry.MY.unit.residuesPdbSequenceNumber array int 1 !entry.MY.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.MY.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 !entry.OL.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C12" "cD" 0 1 131073 8 6 -0.143418 "H2R" "hL" 0 1 131073 9 1 0.042861 "H2S" "hL" 0 1 131073 10 1 0.042861 "C13" "cD" 0 1 131073 11 6 0.001619 "H3R" "hL" 0 1 131073 12 1 0.019529 "H3S" "hL" 0 1 131073 13 1 0.019529 "C14" "cD" 0 1 131073 14 6 -0.022960 "H4R" "hL" 0 1 131073 15 1 0.018134 "H4S" "hL" 0 1 131073 16 1 0.018134 "C15" "cD" 0 1 131073 17 6 -0.016692 "H5R" "hL" 0 1 131073 18 1 0.008690 "H5S" "hL" 0 1 131073 19 1 0.008690 "C16" "cD" 0 1 131073 20 6 -0.023789 "H6R" "hL" 0 1 131073 21 1 0.009266 "H6S" "hL" 0 1 131073 22 1 0.009266 "C17" "cD" 0 1 131073 23 6 -0.017495 "H7R" "hL" 0 1 131073 24 1 0.019598 "H7S" "hL" 0 1 131073 25 1 0.019598 "C18" "cD" 0 1 131073 26 6 0.031775 "H8R" "hL" 0 1 131073 27 1 0.032685 "H8S" "hL" 0 1 131073 28 1 0.032685 "C19" "cB" 0 1 131073 29 6 -0.244228 "H9R" "hB" 0 1 131073 30 1 0.131512 "C110" "cB" 0 1 131073 31 6 -0.239284 "H10R" "hB" 0 1 131073 32 1 0.126878 "C111" "cD" 0 1 131073 33 6 0.029059 "H11R" "hL" 0 1 131073 34 1 0.033531 "H11S" "hL" 0 1 131073 35 1 0.033531 "C112" "cD" 0 1 131073 36 6 -0.026353 "H12R" "hL" 0 1 131073 37 1 0.019717 "H12S" "hL" 0 1 131073 38 1 0.019717 "C113" "cD" 0 1 131073 39 6 -0.018257 "H13R" "hL" 0 1 131073 40 1 0.013800 "H13S" "hL" 0 1 131073 41 1 0.013800 "C114" "cD" 0 1 131073 42 6 -0.024849 "H14R" "hL" 0 1 131073 43 1 0.008572 "H14S" "hL" 0 1 131073 44 1 0.008572 "C115" "cD" 0 1 131073 45 6 -0.023247 "H15R" "hL" 0 1 131073 46 1 0.010403 "H15S" "hL" 0 1 131073 47 1 0.010403 "C116" "cD" 0 1 131073 48 6 -0.012488 "H16R" "hL" 0 1 131073 49 1 0.013659 "H16S" "hL" 0 1 131073 50 1 0.013659 "C117" "cD" 0 1 131073 51 6 0.008684 "H17R" "hL" 0 1 131073 52 1 0.010026 "H17S" "hL" 0 1 131073 53 1 0.010026 "C118" "cD" 0 1 131073 54 6 -0.117290 "H18R" "hL" 0 1 131073 55 1 0.026627 "H18S" "hL" 0 1 131073 56 1 0.026627 "H18T" "hL" 0 1 131073 57 1 0.026627 !entry.OL.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C15" "cD" 0 -1 0.0 "H5R" "hL" 0 -1 0.0 "H5S" "hL" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C18" "cD" 0 -1 0.0 "H8R" "hL" 0 -1 0.0 "H8S" "hL" 0 -1 0.0 "C19" "cB" 0 -1 0.0 "H9R" "hB" 0 -1 0.0 "C110" "cB" 0 -1 0.0 "H10R" "hB" 0 -1 0.0 "C111" "cD" 0 -1 0.0 "H11R" "hL" 0 -1 0.0 "H11S" "hL" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C113" "cD" 0 -1 0.0 "H13R" "hL" 0 -1 0.0 "H13S" "hL" 0 -1 0.0 "C114" "cD" 0 -1 0.0 "H14R" "hL" 0 -1 0.0 "H14S" "hL" 0 -1 0.0 "C115" "cD" 0 -1 0.0 "H15R" "hL" 0 -1 0.0 "H15S" "hL" 0 -1 0.0 "C116" "cD" 0 -1 0.0 "H16R" "hL" 0 -1 0.0 "H16S" "hL" 0 -1 0.0 "C117" "cD" 0 -1 0.0 "H17R" "hL" 0 -1 0.0 "H17S" "hL" 0 -1 0.0 "C118" "cD" 0 -1 0.0 "H18R" "hL" 0 -1 0.0 "H18S" "hL" 0 -1 0.0 "H18T" "hL" 0 -1 0.0 !entry.OL.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.OL.unit.childsequence single int 2 !entry.OL.unit.connect array int 1 1 !entry.OL.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 1 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 10 1 10 11 1 10 12 1 10 13 1 13 14 1 13 15 1 13 16 1 16 17 1 16 18 1 16 19 1 19 20 1 19 21 1 19 22 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!entry.OL.unit.positions table dbl x dbl y dbl z 6.166000 -0.064000 0.159000 5.945000 -0.958000 0.733000 5.869000 0.773000 0.786000 5.422000 -0.043000 -1.175000 5.748000 0.824000 -1.739000 5.713000 -0.909000 -1.761000 3.897000 -0.002000 -1.029000 3.618000 0.876000 -0.452000 3.467000 0.136000 -2.018000 3.285000 -1.260000 -0.401000 3.676000 -2.132000 -0.922000 3.604000 -1.356000 0.634000 1.753000 -1.313000 -0.454000 1.427000 -1.233000 -1.489000 1.431000 -2.294000 -0.110000 1.047000 -0.244000 0.385000 1.408000 -0.296000 1.411000 1.297000 0.749000 0.022000 -0.480000 -0.400000 0.376000 -0.842000 -0.344000 -0.644000 -0.733000 -1.396000 0.737000 -1.164000 0.618000 1.252000 -0.917000 0.539000 2.300000 -2.000000 1.581000 0.901000 -2.380000 2.214000 1.690000 -2.510000 1.937000 -0.472000 -2.194000 2.954000 -0.698000 -2.066000 1.305000 -1.233000 -4.042000 1.873000 -0.585000 -4.484000 2.503000 0.186000 -4.337000 2.308000 -1.538000 -4.615000 0.459000 -0.479000 -4.172000 -0.164000 -1.256000 -4.321000 0.017000 0.469000 -6.139000 0.419000 -0.609000 -6.575000 1.054000 0.159000 -6.433000 0.851000 -1.564000 -6.708000 -0.999000 -0.500000 -6.207000 -1.632000 -1.230000 -6.458000 -1.413000 0.473000 -8.220000 -1.104000 -0.743000 -8.435000 -0.751000 -1.750000 -8.499000 -2.156000 -0.726000 -9.120000 -0.346000 0.242000 -8.919000 0.721000 0.187000 -10.151000 -0.470000 -0.082000 -9.002000 -0.812000 1.694000 -9.724000 -0.300000 2.323000 -8.017000 -0.616000 2.104000 -9.188000 -1.879000 1.778000 !entry.OL.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 1 0 0 0 0 !entry.OL.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "OL" 1 58 1 "?" 0 !entry.OL.unit.residuesPdbSequenceNumber array int 0 !entry.OL.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.OL.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 !entry.PA.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C116" "cD" 0 1 131073 1 6 -0.125447 "H16R" "hL" 0 1 131073 2 1 0.029047 "H16S" "hL" 0 1 131073 3 1 0.029047 "H16T" "hL" 0 1 131073 4 1 0.029047 "C115" "cD" 0 1 131073 5 6 0.013975 "H15R" "hL" 0 1 131073 6 1 0.009292 "H15S" "hL" 0 1 131073 7 1 0.009292 "C114" "cD" 0 1 131073 8 6 -0.020086 "H14R" "hL" 0 1 131073 9 1 0.015929 "H14S" "hL" 0 1 131073 10 1 0.015929 "C113" "cD" 0 1 131073 11 6 -0.033096 "H13R" "hL" 0 1 131073 12 1 0.014621 "H13S" "hL" 0 1 131073 13 1 0.014621 "C112" "cD" 0 1 131073 14 6 -0.027633 "H12R" "hL" 0 1 131073 15 1 0.011368 "H12S" "hL" 0 1 131073 16 1 0.011368 "C111" "cD" 0 1 131073 17 6 -0.025206 "H11R" "hL" 0 1 131073 18 1 0.014334 "H11S" "hL" 0 1 131073 19 1 0.014334 "C110" "cD" 0 1 131073 20 6 -0.028831 "H10R" "hL" 0 1 131073 21 1 0.014691 "H10S" "hL" 0 1 131073 22 1 0.014691 "C19" "cD" 0 1 131073 23 6 -0.030472 "H9R" "hL" 0 1 131073 24 1 0.013897 "H9S" "hL" 0 1 131073 25 1 0.013897 "C18" "cD" 0 1 131073 26 6 -0.015793 "H8R" "hL" 0 1 131073 27 1 0.009067 "H8S" "hL" 0 1 131073 28 1 0.009067 "C17" "cD" 0 1 131073 29 6 -0.019630 "H7R" "hL" 0 1 131073 30 1 0.011041 "H7S" "hL" 0 1 131073 31 1 0.011041 "C16" "cD" 0 1 131073 32 6 -0.024427 "H6R" "hL" 0 1 131073 33 1 0.013334 "H6S" "hL" 0 1 131073 34 1 0.013334 "C15" "cD" 0 1 131073 35 6 -0.029387 "H5R" "hL" 0 1 131073 36 1 0.016763 "H5S" "hL" 0 1 131073 37 1 0.016763 "C14" "cD" 0 1 131073 38 6 -0.030099 "H4R" "hL" 0 1 131073 39 1 0.020877 "H4S" "hL" 0 1 131073 40 1 0.020877 "C13" "cD" 0 1 131073 41 6 -0.004882 "H3R" "hL" 0 1 131073 42 1 0.019007 "H3S" "hL" 0 1 131073 43 1 0.019007 "C12" "cD" 0 1 131073 44 6 -0.149259 "H2R" "hL" 0 1 131073 45 1 0.047345 "H2S" "hL" 0 1 131073 46 1 0.047345 !entry.PA.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C116" "cD" 0 -1 0.0 "H16R" "hL" 0 -1 0.0 "H16S" "hL" 0 -1 0.0 "H16T" "hL" 0 -1 0.0 "C115" "cD" 0 -1 0.0 "H15R" "hL" 0 -1 0.0 "H15S" "hL" 0 -1 0.0 "C114" "cD" 0 -1 0.0 "H14R" "hL" 0 -1 0.0 "H14S" "hL" 0 -1 0.0 "C113" "cD" 0 -1 0.0 "H13R" "hL" 0 -1 0.0 "H13S" "hL" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C111" "cD" 0 -1 0.0 "H11R" "hL" 0 -1 0.0 "H11S" "hL" 0 -1 0.0 "C110" "cD" 0 -1 0.0 "H10R" "hL" 0 -1 0.0 "H10S" "hL" 0 -1 0.0 "C19" "cD" 0 -1 0.0 "H9R" "hL" 0 -1 0.0 "H9S" "hL" 0 -1 0.0 "C18" "cD" 0 -1 0.0 "H8R" "hL" 0 -1 0.0 "H8S" "hL" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C15" "cD" 0 -1 0.0 "H5R" "hL" 0 -1 0.0 "H5S" "hL" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 !entry.PA.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PA.unit.childsequence single int 2 !entry.PA.unit.connect array int 44 44 !entry.PA.unit.connectivity table int atom1x int atom2x int flags 1 2 1 1 3 1 1 4 1 1 5 1 5 6 1 5 7 1 5 8 1 8 9 1 8 10 1 8 11 1 11 12 1 11 13 1 11 14 1 14 15 1 14 16 1 14 17 1 17 18 1 17 19 1 17 20 1 20 21 1 20 22 1 20 23 1 23 24 1 23 25 1 23 26 1 26 27 1 26 28 1 26 29 1 29 30 1 29 31 1 29 32 1 32 33 1 32 34 1 32 35 1 35 36 1 35 37 1 35 38 1 38 39 1 38 40 1 38 41 1 41 42 1 41 43 1 41 44 1 44 45 1 44 46 1 !entry.PA.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 "R" 1 "A" 45 "R" 1 "A" 46 !entry.PA.unit.name single str "PA" !entry.PA.unit.positions table dbl x dbl y dbl z -10.262000 -0.302000 -0.549000 -10.644000 -0.891000 -1.377000 -10.859000 0.603000 -0.483000 -10.424000 -0.870000 0.363000 -8.781000 0.025000 -0.737000 -8.648000 0.570000 -1.670000 -8.224000 -0.902000 -0.843000 -8.209000 0.854000 0.416000 -8.302000 0.290000 1.344000 -8.824000 1.743000 0.541000 -6.751000 1.293000 0.235000 -6.500000 1.986000 1.035000 -6.660000 1.857000 -0.692000 -5.730000 0.153000 0.237000 -5.920000 -0.519000 -0.596000 -5.856000 -0.439000 1.142000 -4.284000 0.648000 0.155000 -4.084000 1.312000 0.994000 -4.160000 1.248000 -0.744000 -3.256000 -0.485000 0.151000 -3.455000 -1.148000 -0.689000 -3.381000 -1.087000 1.050000 -1.811000 0.010000 0.072000 -1.612000 0.673000 0.913000 -1.685000 0.612000 -0.826000 -0.782000 -1.123000 0.068000 -0.983000 -1.787000 -0.770000 -0.906000 -1.724000 0.968000 0.663000 -0.628000 -0.013000 0.854000 0.045000 0.820000 0.790000 -0.036000 -0.919000 1.685000 -1.769000 -0.010000 1.433000 -2.463000 -0.809000 1.595000 -2.331000 0.918000 3.142000 -1.328000 -0.195000 3.227000 -0.783000 -1.132000 3.759000 -2.218000 -0.304000 3.698000 -0.485000 0.958000 3.490000 -0.997000 1.896000 3.179000 0.468000 1.010000 5.207000 -0.229000 0.884000 5.739000 -1.174000 0.848000 5.519000 0.273000 1.796000 5.627000 0.634000 -0.318000 5.083000 1.570000 -0.321000 5.426000 0.112000 -1.246000 !entry.PA.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 44 44 0 0 0 0 !entry.PA.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PA" 1 54 1 "?" 0 !entry.PA.unit.residuesPdbSequenceNumber array int 0 !entry.PA.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PA.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 !entry.PC.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C11" "cC" 0 1 131073 5 6 0.910403 "O12" "oC" 0 1 131073 6 8 -0.671566 "O11" "oS" 0 1 131073 7 8 -0.575489 "C1" "cA" 0 1 131073 8 6 0.196939 "HR" "hE" 0 1 131073 9 1 0.070469 "HS" "hE" 0 1 131073 10 1 0.070469 "C2" "cA" 0 1 131073 11 6 0.281242 "HX" "hE" 0 1 131073 12 1 0.063253 "C3" "cA" 0 1 131073 13 6 0.017459 "HA" "hE" 0 1 131073 14 1 0.095591 "HB" "hE" 0 1 131073 15 1 0.095591 "O31" "oT" 0 1 131073 16 8 -0.509480 "P31" "pA" 0 1 131073 17 15 1.339721 "O32" "oT" 0 1 131073 18 8 -0.508176 "C31" "cA" 0 1 131073 19 6 0.166801 "H1A" "hE" 0 1 131073 20 1 0.078534 "H1B" "hE" 0 1 131073 21 1 0.078534 "C32" "cA" 0 1 131073 22 6 -0.170824 "H2A" "hX" 0 1 131073 23 1 0.136415 "H2B" "hX" 0 1 131073 24 1 0.136415 "N31" "nA" 0 1 131073 25 7 0.245262 "C33" "cA" 0 1 131073 26 6 -0.338973 "H3A" "hX" 0 1 131073 27 1 0.172230 "H3B" "hX" 0 1 131073 28 1 0.172230 "H3C" "hX" 0 1 131073 29 1 0.172230 "C34" "cA" 0 1 131073 30 6 -0.338973 "H4A" "hX" 0 1 131073 31 1 0.172230 "H4B" "hX" 0 1 131073 32 1 0.172230 "H4C" "hX" 0 1 131073 33 1 0.172230 "C35" "cA" 0 1 131073 34 6 -0.338973 "H5A" "hX" 0 1 131073 35 1 0.172230 "H5B" "hX" 0 1 131073 36 1 0.172230 "H5C" "hX" 0 1 131073 37 1 0.172230 "O33" "oP" 0 1 131073 38 8 -0.875812 "O34" "oP" 0 1 131073 39 8 -0.875812 "O21" "oS" 0 1 131073 40 8 -0.552948 "C21" "cC" 0 1 131073 41 6 0.897613 "O22" "oC" 0 1 131073 42 8 -0.673755 !entry.PC.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "O11" "oS" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "HS" "hE" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oT" 0 -1 0.0 "C31" "cA" 0 -1 0.0 "H1A" "hE" 0 -1 0.0 "H1B" "hE" 0 -1 0.0 "C32" "cA" 0 -1 0.0 "H2A" "hX" 0 -1 0.0 "H2B" "hX" 0 -1 0.0 "N31" "nA" 0 -1 0.0 "C33" "cA" 0 -1 0.0 "H3A" "hX" 0 -1 0.0 "H3B" "hX" 0 -1 0.0 "H3C" "hX" 0 -1 0.0 "C34" "cA" 0 -1 0.0 "H4A" "hX" 0 -1 0.0 "H4B" "hX" 0 -1 0.0 "H4C" "hX" 0 -1 0.0 "C35" "cA" 0 -1 0.0 "H5A" "hX" 0 -1 0.0 "H5B" "hX" 0 -1 0.0 "H5C" "hX" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "O21" "oS" 0 -1 0.0 "C21" "cC" 0 -1 0.0 "O22" "oC" 0 -1 0.0 !entry.PC.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PC.unit.childsequence single int 2 !entry.PC.unit.connect array int 1 37 !entry.PC.unit.connectivity table int atom1x int atom2x int flags 1 2 2 1 3 1 3 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 36 1 9 10 1 9 11 1 9 12 1 12 13 1 13 14 1 13 34 1 13 35 1 14 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 1 18 21 1 21 22 1 21 26 1 21 30 1 22 23 1 22 24 1 22 25 1 26 27 1 26 28 1 26 29 1 30 31 1 30 32 1 30 33 1 36 37 1 37 38 2 !entry.PC.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 !entry.PC.unit.name single str "PC" !entry.PC.unit.positions table dbl x dbl y dbl z 4.694000 -2.109000 0.405000 4.576000 -2.896000 -0.477000 3.902000 -1.060000 0.566000 2.854000 -0.874000 -0.377000 2.157000 -1.696000 -0.314000 3.266000 -0.836000 -1.375000 2.165000 0.425000 -0.026000 1.911000 0.438000 1.021000 0.919000 0.667000 -0.863000 1.151000 0.638000 -1.919000 0.516000 1.643000 -0.623000 -0.006000 -0.339000 -0.535000 -1.430000 -0.403000 -1.277000 -2.179000 0.795000 -0.393000 -3.461000 1.133000 -0.789000 -3.812000 0.531000 -1.617000 -3.484000 2.165000 -1.127000 -4.434000 1.074000 0.381000 -5.396000 1.448000 0.054000 -4.072000 1.701000 1.183000 -4.708000 -0.280000 1.003000 -5.092000 -1.293000 -0.033000 -5.889000 -0.883000 -0.638000 -5.442000 -2.177000 0.479000 -4.222000 -1.537000 -0.624000 -3.521000 -0.799000 1.770000 -3.178000 -0.023000 2.437000 -2.753000 -1.088000 1.075000 -3.853000 -1.656000 2.338000 -5.839000 -0.102000 1.952000 -5.570000 0.638000 2.691000 -6.044000 -1.043000 2.440000 -6.716000 0.223000 1.411000 -2.106000 -1.653000 -0.869000 -1.344000 0.050000 -2.666000 3.096000 1.472000 -0.298000 3.110000 2.550000 0.475000 2.361000 2.734000 1.379000 !entry.PC.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 37 0 0 0 0 !entry.PC.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PC" 1 47 1 "?" 0 !entry.PC.unit.residuesPdbSequenceNumber array int 0 !entry.PC.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PC.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 !entry.PE.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C11" "cC" 0 1 131073 5 6 0.888359 "O12" "oC" 0 1 131073 6 8 -0.650802 "O11" "oS" 0 1 131073 7 8 -0.593826 "C1" "cA" 0 1 131073 8 6 0.273776 "HR" "hE" 0 1 131073 9 1 0.044574 "HS" "hE" 0 1 131073 10 1 0.044574 "C2" "cA" 0 1 131073 11 6 0.339004 "HX" "hE" 0 1 131073 12 1 0.032843 "C3" "cA" 0 1 131073 13 6 0.040967 "HA" "hE" 0 1 131073 14 1 0.090994 "HB" "hE" 0 1 131073 15 1 0.090994 "O31" "oT" 0 1 131073 16 8 -0.546623 "P31" "pA" 0 1 131073 17 15 1.373656 "O32" "oT" 0 1 131073 18 8 -0.514542 "C31" "cA" 0 1 131073 19 6 0.075159 "H1A" "hE" 0 1 131073 20 1 0.091516 "H1B" "hE" 0 1 131073 21 1 0.091516 "C32" "cA" 0 1 131073 22 6 0.077319 "H2A" "hX" 0 1 131073 23 1 0.091630 "H2B" "hX" 0 1 131073 24 1 0.091630 "N31" "nA" 0 1 131073 25 7 -0.368132 "HN1A" "hN" 0 1 131073 26 1 0.348549 "HN1B" "hN" 0 1 131073 27 1 0.348549 "HN1C" "hN" 0 1 131073 28 1 0.348549 "O33" "oP" 0 1 131073 29 8 -0.877447 "O34" "oP" 0 1 131073 30 8 -0.877447 "O21" "oS" 0 1 131073 31 8 -0.575480 "C21" "cC" 0 1 131073 32 6 0.869340 "O22" "oC" 0 1 131073 33 8 -0.649199 !entry.PE.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "O11" "oS" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "HS" "hE" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oT" 0 -1 0.0 "C31" "cA" 0 -1 0.0 "H1A" "hE" 0 -1 0.0 "H1B" "hE" 0 -1 0.0 "C32" "cA" 0 -1 0.0 "H2A" "hX" 0 -1 0.0 "H2B" "hX" 0 -1 0.0 "N31" "nA" 0 -1 0.0 "HN1A" "hN" 0 -1 0.0 "HN1B" "hN" 0 -1 0.0 "HN1C" "hN" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "O21" "oS" 0 -1 0.0 "C21" "cC" 0 -1 0.0 "O22" "oC" 0 -1 0.0 !entry.PE.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PE.unit.childsequence single int 2 !entry.PE.unit.connect array int 1 28 !entry.PE.unit.connectivity table int atom1x int atom2x int flags 1 2 2 1 3 1 3 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 27 1 9 10 1 9 11 1 9 12 1 12 13 1 13 14 1 13 25 1 13 26 1 14 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 1 18 21 1 21 22 1 21 23 1 21 24 1 27 28 1 28 29 2 !entry.PE.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 !entry.PE.unit.name single str "PE" !entry.PE.unit.positions table dbl x dbl y dbl z 2.180000 2.916000 -0.064000 1.200000 3.445000 0.353000 2.300000 1.607000 -0.216000 1.186000 0.802000 0.148000 0.303000 1.147000 -0.363000 1.024000 0.875000 1.214000 1.505000 -0.620000 -0.256000 1.807000 -0.650000 -1.291000 0.330000 -1.562000 -0.031000 0.041000 -1.559000 1.011000 0.613000 -2.568000 -0.305000 -0.732000 -1.142000 -0.860000 -2.233000 -1.108000 -0.332000 -2.136000 0.266000 0.585000 -3.161000 0.573000 1.479000 -2.877000 1.497000 1.967000 -3.275000 -0.198000 2.230000 -4.503000 0.755000 0.756000 -4.980000 -0.196000 0.574000 -5.171000 1.387000 1.325000 -4.264000 1.356000 -0.588000 -3.660000 2.160000 -0.543000 -3.765000 0.574000 -1.162000 -5.121000 1.620000 -1.043000 -2.580000 -2.225000 0.542000 -3.100000 -0.702000 -1.484000 2.581000 -1.061000 0.567000 3.515000 -1.854000 0.049000 3.494000 -2.265000 -1.064000 !entry.PE.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 28 0 0 0 0 !entry.PE.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PE" 1 38 1 "?" 0 !entry.PE.unit.residuesPdbSequenceNumber array int 0 !entry.PE.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PE.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 !entry.PGR.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C11" "cC" 0 1 131073 5 6 0.877006 "O12" "oC" 0 1 131073 6 8 -0.649265 "O11" "oS" 0 1 131073 7 8 -0.585165 "C1" "cA" 0 1 131073 8 6 0.295119 "HR" "hE" 0 1 131073 9 1 0.033797 "HS" "hE" 0 1 131073 10 1 0.033797 "C2" "cA" 0 1 131073 11 6 0.353807 "HX" "hE" 0 1 131073 12 1 0.037488 "C3" "cA" 0 1 131073 13 6 0.043713 "HA" "hE" 0 1 131073 14 1 0.091041 "HB" "hE" 0 1 131073 15 1 0.091041 "O31" "oT" 0 1 131073 16 8 -0.546098 "P31" "pA" 0 1 131073 17 15 1.380464 "O32" "oT" 0 1 131073 18 8 -0.534308 "C31" "cA" 0 1 131073 19 6 -0.056706 "H1A" "hE" 0 1 131073 20 1 0.093354 "H1B" "hE" 0 1 131073 21 1 0.093354 "C32" "cA" 0 1 131073 22 6 0.336816 "H2A" "hE" 0 1 131073 23 1 0.030042 "O35" "oH" 0 1 131073 24 8 -0.726192 "HO5A" "hO" 0 1 131073 25 1 0.439523 "C33" "cA" 0 1 131073 26 6 0.193597 "H3A" "hE" 0 1 131073 27 1 0.034715 "H3B" "hE" 0 1 131073 28 1 0.034715 "O33" "oP" 0 1 131073 29 8 -0.873444 "O34" "oP" 0 1 131073 30 8 -0.873444 "O21" "oS" 0 1 131073 31 8 -0.599131 "C21" "cC" 0 1 131073 32 6 0.883669 "O22" "oC" 0 1 131073 33 8 -0.655762 "O36" "oH" 0 1 131073 38 8 -0.700871 "HO6A" "hO" 0 1 131073 39 1 0.423328 !entry.PGR.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "O11" "oS" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "HS" "hE" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oT" 0 -1 0.0 "C31" "cA" 0 -1 0.0 "H1A" "hE" 0 -1 0.0 "H1B" "hE" 0 -1 0.0 "C32" "cA" 0 -1 0.0 "H2A" "hE" 0 -1 0.0 "O35" "oH" 0 -1 0.0 "HO5A" "hO" 0 -1 0.0 "C33" "cA" 0 -1 0.0 "H3A" "hE" 0 -1 0.0 "H3B" "hE" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "O21" "oS" 0 -1 0.0 "C21" "cC" 0 -1 0.0 "O22" "oC" 0 -1 0.0 "O36" "oH" 0 -1 0.0 "HO6A" "hO" 0 -1 0.0 !entry.PGR.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PGR.unit.childsequence single int 2 !entry.PGR.unit.connect array int 1 28 !entry.PGR.unit.connectivity table int atom1x int atom2x int flags 1 2 2 1 3 1 3 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 27 1 9 10 1 9 11 1 9 12 1 12 13 1 13 14 1 13 25 1 13 26 1 14 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 1 18 22 1 20 21 1 22 23 1 22 24 1 22 30 1 27 28 1 28 29 2 30 31 1 !entry.PGR.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 !entry.PGR.unit.name single str "PGR" !entry.PGR.unit.positions table dbl x dbl y dbl z -4.477000 -1.887000 -0.726000 -4.371000 -2.868000 -0.063000 -3.639000 -0.870000 -0.694000 -2.503000 -0.948000 0.169000 -1.828000 -1.711000 -0.185000 -2.829000 -1.195000 1.169000 -1.828000 0.404000 0.138000 -1.630000 0.695000 -0.880000 -0.548000 0.426000 0.959000 -0.757000 0.182000 1.993000 -0.133000 1.429000 0.931000 0.324000 -0.498000 0.392000 1.792000 -0.746000 1.103000 2.555000 0.619000 0.624000 2.986000 0.770000 -0.700000 2.623000 1.721000 -1.076000 2.604000 -0.014000 -1.340000 4.505000 0.786000 -0.761000 4.873000 1.541000 -0.068000 4.862000 1.134000 -2.080000 5.785000 0.936000 -2.177000 5.129000 -0.545000 -0.390000 4.915000 -0.793000 0.640000 4.728000 -1.331000 -1.018000 2.390000 -1.892000 0.403000 1.622000 -0.640000 2.557000 -2.727000 1.350000 0.732000 -3.217000 2.354000 0.028000 -2.963000 2.587000 -1.110000 6.529000 -0.405000 -0.601000 6.945000 -1.239000 -0.440000 !entry.PGR.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 28 0 0 0 0 !entry.PGR.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PGR" 1 40 1 "?" 0 !entry.PGR.unit.residuesPdbSequenceNumber array int 0 !entry.PGR.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PGR.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 !entry.PGS.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C11" "cC" 0 1 131073 5 6 0.877006 "O12" "oC" 0 1 131073 6 8 -0.649265 "O11" "oS" 0 1 131073 7 8 -0.585165 "C1" "cA" 0 1 131073 8 6 0.295119 "HR" "hE" 0 1 131073 9 1 0.033797 "HS" "hE" 0 1 131073 10 1 0.033797 "C2" "cA" 0 1 131073 11 6 0.353807 "HX" "hE" 0 1 131073 12 1 0.037488 "C3" "cA" 0 1 131073 13 6 0.043713 "HA" "hE" 0 1 131073 14 1 0.091041 "HB" "hE" 0 1 131073 15 1 0.091041 "O31" "oT" 0 1 131073 16 8 -0.546098 "P31" "pA" 0 1 131073 17 15 1.380464 "O32" "oT" 0 1 131073 18 8 -0.534308 "C31" "cA" 0 1 131073 19 6 -0.056706 "H1A" "hE" 0 1 131073 20 1 0.093354 "H1B" "hE" 0 1 131073 21 1 0.093354 "C32" "cA" 0 1 131073 22 6 0.336816 "H2A" "hE" 0 1 131073 23 1 0.030042 "O35" "oH" 0 1 131073 24 8 -0.726192 "HO5A" "hO" 0 1 131073 25 1 0.439523 "C33" "cA" 0 1 131073 26 6 0.193597 "H3A" "hE" 0 1 131073 27 1 0.034715 "H3B" "hE" 0 1 131073 28 1 0.034715 "O33" "oP" 0 1 131073 29 8 -0.873444 "O34" "oP" 0 1 131073 30 8 -0.873444 "O21" "oS" 0 1 131073 31 8 -0.599131 "C21" "cC" 0 1 131073 32 6 0.883669 "O22" "oC" 0 1 131073 33 8 -0.655762 "O36" "oH" 0 1 131073 38 8 -0.700871 "HO6A" "hO" 0 1 131073 39 1 0.423328 !entry.PGS.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "O11" "oS" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "HS" "hE" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oT" 0 -1 0.0 "C31" "cA" 0 -1 0.0 "H1A" "hE" 0 -1 0.0 "H1B" "hE" 0 -1 0.0 "C32" "cA" 0 -1 0.0 "H2A" "hE" 0 -1 0.0 "O35" "oH" 0 -1 0.0 "HO5A" "hO" 0 -1 0.0 "C33" "cA" 0 -1 0.0 "H3A" "hE" 0 -1 0.0 "H3B" "hE" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "O21" "oS" 0 -1 0.0 "C21" "cC" 0 -1 0.0 "O22" "oC" 0 -1 0.0 "O36" "oH" 0 -1 0.0 "HO6A" "hO" 0 -1 0.0 !entry.PGS.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PGS.unit.childsequence single int 2 !entry.PGS.unit.connect array int 1 28 !entry.PGS.unit.connectivity table int atom1x int atom2x int flags 1 2 2 1 3 1 3 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 27 1 9 10 1 9 11 1 9 12 1 12 13 1 13 14 1 13 25 1 13 26 1 14 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 1 18 22 1 20 21 1 22 23 1 22 24 1 22 30 1 27 28 1 28 29 2 30 31 1 !entry.PGS.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 !entry.PGS.unit.name single str "PGS" !entry.PGS.unit.positions table dbl x dbl y dbl z -4.694000 -1.417000 0.240000 -4.509000 -2.326000 0.983000 -3.752000 -0.596000 -0.184000 -2.409000 -0.821000 0.246000 -2.038000 -1.739000 -0.181000 -2.383000 -0.893000 1.323000 -1.588000 0.353000 -0.240000 -1.724000 0.488000 -1.299000 -0.111000 0.199000 0.091000 0.027000 0.102000 1.161000 0.417000 1.085000 -0.244000 0.348000 -0.934000 -0.576000 1.837000 -1.519000 -0.273000 2.681000 -0.306000 -0.969000 4.081000 -0.360000 -0.920000 4.460000 -0.364000 -1.935000 4.422000 -1.266000 -0.434000 4.680000 0.829000 -0.187000 5.745000 0.618000 -0.068000 4.513000 1.978000 -0.993000 4.845000 2.731000 -0.522000 4.080000 1.063000 1.197000 4.575000 1.928000 1.641000 3.031000 1.312000 1.083000 2.005000 -2.765000 -1.022000 2.084000 -1.434000 1.191000 -2.046000 1.522000 0.450000 -2.640000 2.506000 -0.204000 -2.822000 2.540000 -1.377000 4.267000 -0.017000 2.049000 3.542000 -0.633000 1.892000 !entry.PGS.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 0 0 0 0 0 !entry.PGS.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PGS" 1 40 1 "?" 0 !entry.PGS.unit.residuesPdbSequenceNumber array int 0 !entry.PGS.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PGS.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 !entry.PH-.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C11" "cC" 0 1 131073 5 6 0.888207 "O12" "oC" 0 1 131073 6 8 -0.671142 "O11" "oS" 0 1 131073 7 8 -0.547824 "C1" "cA" 0 1 131073 8 6 0.185299 "HR" "hE" 0 1 131073 9 1 0.067676 "HS" "hE" 0 1 131073 10 1 0.067676 "C2" "cA" 0 1 131073 11 6 0.283546 "HX" "hE" 0 1 131073 12 1 0.063862 "C3" "cA" 0 1 131073 13 6 0.081528 "HA" "hE" 0 1 131073 14 1 0.083099 "HB" "hE" 0 1 131073 15 1 0.083099 "O31" "oT" 0 1 131073 16 8 -0.594197 "P31" "pA" 0 1 131073 17 15 1.456663 "O32" "oH" 0 1 131073 18 8 -0.706197 "HO2A" "hO" 0 1 131073 19 1 0.415628 "O33" "oP" 0 1 131073 20 8 -0.914158 "O34" "oP" 0 1 131073 21 8 -0.914158 "O21" "oS" 0 1 131073 22 8 -0.554487 "C21" "cC" 0 1 131073 23 6 0.897502 "O22" "oC" 0 1 131073 24 8 -0.671622 !entry.PH-.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "O11" "oS" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "HS" "hE" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oH" 0 -1 0.0 "HO2A" "hO" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "O21" "oS" 0 -1 0.0 "C21" "cC" 0 -1 0.0 "O22" "oC" 0 -1 0.0 !entry.PH-.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PH-.unit.childsequence single int 2 !entry.PH-.unit.connect array int 1 19 !entry.PH-.unit.connectivity table int atom1x int atom2x int flags 1 2 2 1 3 1 3 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 18 1 9 10 1 9 11 1 9 12 1 12 13 1 13 14 1 13 16 1 13 17 1 14 15 1 18 19 1 19 20 2 !entry.PH-.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 !entry.PH-.unit.name single str "PH-" !entry.PH-.unit.positions table dbl x dbl y dbl z -3.044000 -2.013000 0.046000 -2.728000 -2.874000 0.802000 -2.283000 -0.988000 -0.281000 -0.971000 -0.903000 0.280000 -0.353000 -1.692000 -0.118000 -1.034000 -1.005000 1.353000 -0.409000 0.446000 -0.105000 -0.481000 0.586000 -1.171000 1.029000 0.623000 0.360000 1.091000 0.533000 1.438000 1.360000 1.622000 0.090000 1.789000 -0.352000 -0.272000 3.414000 -0.414000 0.038000 3.909000 0.868000 -0.850000 4.131000 0.544000 -1.712000 3.901000 -1.629000 -0.630000 3.601000 -0.081000 1.456000 -1.197000 1.447000 0.555000 -1.896000 2.327000 -0.137000 -1.933000 2.399000 -1.324000 !entry.PH-.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 19 0 0 0 0 !entry.PH-.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PH-" 1 29 1 "?" 0 !entry.PH-.unit.residuesPdbSequenceNumber array int 0 !entry.PH-.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PH-.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 !entry.PS.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C11" "cC" 0 1 131073 5 6 0.887549 "O12" "oC" 0 1 131073 6 8 -0.663331 "O11" "oS" 0 1 131073 7 8 -0.579073 "C1" "cA" 0 1 131073 8 6 0.271173 "HR" "hE" 0 1 131073 9 1 0.037454 "HS" "hE" 0 1 131073 10 1 0.037454 "C2" "cA" 0 1 131073 11 6 0.440650 "HX" "hE" 0 1 131073 12 1 0.002473 "C3" "cA" 0 1 131073 13 6 0.012366 "HA" "hE" 0 1 131073 14 1 0.097347 "HB" "hE" 0 1 131073 15 1 0.097347 "O31" "oT" 0 1 131073 16 8 -0.556992 "P31" "pA" 0 1 131073 17 15 1.380208 "O32" "oT" 0 1 131073 18 8 -0.520128 "C31" "cA" 0 1 131073 19 6 0.060375 "H1A" "hE" 0 1 131073 20 1 0.093484 "H1B" "hE" 0 1 131073 21 1 0.093484 "C32" "cA" 0 1 131073 22 6 0.039448 "H2A" "hX" 0 1 131073 23 1 0.090549 "N31" "nA" 0 1 131073 24 7 -0.414327 "HN1A" "hN" 0 1 131073 25 1 0.353866 "HN1B" "hN" 0 1 131073 26 1 0.353866 "HN1C" "hN" 0 1 131073 27 1 0.353866 "C33" "cC" 0 1 131073 28 6 0.809867 "O33" "oP" 0 1 131073 29 8 -0.877922 "O34" "oP" 0 1 131073 30 8 -0.877922 "O21" "oS" 0 1 131073 31 8 -0.634381 "C21" "cC" 0 1 131073 32 6 0.891897 "O22" "oC" 0 1 131073 33 8 -0.650291 "O35" "oO" 0 1 131073 38 8 -0.815178 "O36" "oO" 0 1 131073 39 8 -0.815178 !entry.PS.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "O11" "oS" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "HS" "hE" 0 -1 0.0 "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oT" 0 -1 0.0 "C31" "cA" 0 -1 0.0 "H1A" "hE" 0 -1 0.0 "H1B" "hE" 0 -1 0.0 "C32" "cA" 0 -1 0.0 "H2A" "hX" 0 -1 0.0 "N31" "nA" 0 -1 0.0 "HN1A" "hN" 0 -1 0.0 "HN1B" "hN" 0 -1 0.0 "HN1C" "hN" 0 -1 0.0 "C33" "cC" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "O21" "oS" 0 -1 0.0 "C21" "cC" 0 -1 0.0 "O22" "oC" 0 -1 0.0 "O35" "oO" 0 -1 0.0 "O36" "oO" 0 -1 0.0 !entry.PS.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PS.unit.childsequence single int 2 !entry.PS.unit.connect array int 1 28 !entry.PS.unit.connectivity table int atom1x int atom2x int flags 1 2 2 1 3 1 3 4 1 4 5 1 4 6 1 4 7 1 7 8 1 7 9 1 7 27 1 9 10 1 9 11 1 9 12 1 12 13 1 13 14 1 13 25 1 13 26 1 14 15 1 15 16 1 15 17 1 15 18 1 18 19 1 18 20 1 18 24 1 20 21 1 20 22 1 20 23 1 24 30 1 24 31 1 27 28 1 28 29 2 !entry.PS.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 !entry.PS.unit.name single str "PS" !entry.PS.unit.positions table dbl x dbl y dbl z -4.858000 -1.850000 -0.410000 -4.698000 -2.763000 0.333000 -4.019000 -0.838000 -0.535000 -2.831000 -0.844000 0.255000 -2.200000 -1.666000 -0.042000 -3.092000 -0.954000 1.297000 -2.131000 0.474000 0.008000 -1.992000 0.627000 -1.049000 -0.799000 0.566000 0.736000 -0.935000 0.434000 1.801000 -0.371000 1.548000 0.565000 0.031000 -0.431000 0.214000 1.459000 -0.736000 0.918000 2.273000 0.544000 0.314000 3.667000 0.633000 0.494000 3.999000 -0.001000 1.309000 3.918000 1.652000 0.742000 4.399000 0.283000 -0.793000 4.021000 0.911000 -1.586000 4.144000 -1.146000 -1.167000 5.037000 -1.599000 -0.965000 3.345000 -1.571000 -0.652000 3.974000 -1.245000 -2.151000 5.947000 0.464000 -0.664000 2.019000 -1.944000 0.253000 1.341000 -0.631000 2.375000 -2.961000 1.514000 0.532000 -3.475000 2.435000 -0.269000 -3.284000 2.507000 -1.439000 6.589000 -0.587000 -0.792000 6.300000 1.609000 -0.448000 !entry.PS.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 1 28 0 0 0 0 !entry.PS.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "PS" 1 40 1 "?" 0 !entry.PS.unit.residuesPdbSequenceNumber array int 0 !entry.PS.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.PS.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 !entry.SA.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C116" "cD" 0 1 131073 1 6 -0.199999 "H16R" "hL" 0 1 131073 2 1 0.049471 "H16S" "hL" 0 1 131073 3 1 0.049471 "H16T" "hL" 0 1 131073 4 1 0.049471 "C115" "cD" 0 1 131073 5 6 -0.046781 "H15R" "hL" 0 1 131073 6 1 0.026484 "H15S" "hL" 0 1 131073 7 1 0.026484 "C114" "cD" 0 1 131073 8 6 0.044648 "H14R" "hL" 0 1 131073 9 1 0.010970 "H14S" "hL" 0 1 131073 10 1 0.010970 "C113" "cD" 0 1 131073 11 6 -0.119225 "H13R" "hL" 0 1 131073 12 1 0.040330 "H13S" "hL" 0 1 131073 13 1 0.040330 "C112" "cD" 0 1 131073 14 6 0.001048 "H12R" "hL" 0 1 131073 15 1 0.016935 "H12S" "hL" 0 1 131073 16 1 0.016935 "C111" "cD" 0 1 131073 17 6 -0.079417 "H11R" "hL" 0 1 131073 18 1 0.023502 "H11S" "hL" 0 1 131073 19 1 0.023502 "C110" "cD" 0 1 131073 20 6 -0.066372 "H10R" "hL" 0 1 131073 21 1 0.021723 "H10S" "hL" 0 1 131073 22 1 0.021723 "C19" "cD" 0 1 131073 23 6 0.053352 "H9R" "hL" 0 1 131073 24 1 0.020200 "H9S" "hL" 0 1 131073 25 1 0.020200 "C18" "cD" 0 1 131073 26 6 -0.187889 "H8R" "hL" 0 1 131073 27 1 0.046909 "H8S" "hL" 0 1 131073 28 1 0.046909 "C17" "cD" 0 1 131073 29 6 0.049288 "H7R" "hL" 0 1 131073 30 1 0.006045 "H7S" "hL" 0 1 131073 31 1 0.006045 "C16" "cD" 0 1 131073 32 6 -0.012997 "H6R" "hL" 0 1 131073 33 1 0.003223 "H6S" "hL" 0 1 131073 34 1 0.003223 "C15" "cD" 0 1 131073 35 6 0.093171 "H5R" "hL" 0 1 131073 36 1 -0.011690 "H5S" "hL" 0 1 131073 37 1 -0.011690 "C14" "cD" 0 1 131073 38 6 -0.258138 "H4R" "hL" 0 1 131073 39 1 0.076843 "H4S" "hL" 0 1 131073 40 1 0.076843 "C13" "cB" 0 1 131073 41 6 0.028290 "H3R" "hB" 0 1 131073 42 1 0.116281 "C12" "cB" 0 1 131073 43 6 -0.341889 "H2R" "hB" 0 1 131073 44 1 0.145550 !entry.SA.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C116" "cD" 0 -1 0.0 "H16R" "hL" 0 -1 0.0 "H16S" "hL" 0 -1 0.0 "H16T" "hL" 0 -1 0.0 "C115" "cD" 0 -1 0.0 "H15R" "hL" 0 -1 0.0 "H15S" "hL" 0 -1 0.0 "C114" "cD" 0 -1 0.0 "H14R" "hL" 0 -1 0.0 "H14S" "hL" 0 -1 0.0 "C113" "cD" 0 -1 0.0 "H13R" "hL" 0 -1 0.0 "H13S" "hL" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C111" "cD" 0 -1 0.0 "H11R" "hL" 0 -1 0.0 "H11S" "hL" 0 -1 0.0 "C110" "cD" 0 -1 0.0 "H10R" "hL" 0 -1 0.0 "H10S" "hL" 0 -1 0.0 "C19" "cD" 0 -1 0.0 "H9R" "hL" 0 -1 0.0 "H9S" "hL" 0 -1 0.0 "C18" "cD" 0 -1 0.0 "H8R" "hL" 0 -1 0.0 "H8S" "hL" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C15" "cD" 0 -1 0.0 "H5R" "hL" 0 -1 0.0 "H5S" "hL" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C13" "cB" 0 -1 0.0 "H3R" "hB" 0 -1 0.0 "C12" "cB" 0 -1 0.0 "H2R" "hB" 0 -1 0.0 !entry.SA.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.SA.unit.childsequence single int 2 !entry.SA.unit.connect array int 43 43 !entry.SA.unit.connectivity table int atom1x int atom2x int flags 1 5 1 1 3 1 1 2 1 1 4 1 5 8 1 5 7 1 5 6 1 8 11 1 8 9 1 8 10 1 11 14 1 11 13 1 11 12 1 14 17 1 14 16 1 14 15 1 17 20 1 17 19 1 17 18 1 20 23 1 20 21 1 20 22 1 23 26 1 23 24 1 23 25 1 26 29 1 26 28 1 26 27 1 29 32 1 29 31 1 29 30 1 32 35 1 32 33 1 32 34 1 35 38 1 35 37 1 35 36 1 38 41 1 38 39 1 38 40 1 41 43 1 41 42 1 43 44 1 !entry.SA.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 !entry.SA.unit.name single str "SA" !entry.SA.unit.positions table dbl x dbl y dbl z 9.152000 -1.077000 0.697000 10.204000 -1.219000 0.564000 8.914000 -0.040000 0.579000 8.620000 -1.650000 -0.033000 8.749000 -1.537000 2.100000 8.998000 -2.571000 2.214000 7.696000 -1.389000 2.217000 9.476000 -0.727000 3.175000 9.150000 0.290000 3.104000 10.523000 -0.848000 2.988000 9.235000 -1.205000 4.608000 9.328000 -2.270000 4.640000 8.253000 -0.901000 4.904000 10.244000 -0.588000 5.579000 10.085000 0.465000 5.680000 11.258000 -0.696000 5.255000 9.953000 -1.315000 6.894000 10.536000 -2.210000 6.950000 8.917000 -1.578000 6.950000 10.325000 -0.382000 8.047000 9.732000 0.507000 7.999000 11.358000 -0.109000 7.982000 10.054000 -1.114000 9.363000 10.960000 -1.558000 9.719000 9.324000 -1.880000 9.205000 9.534000 -0.113000 10.397000 8.612000 0.297000 10.041000 10.285000 0.639000 10.520000 9.289000 -0.743000 11.770000 8.953000 -1.749000 11.629000 8.557000 -0.145000 12.271000 10.542000 -0.765000 12.648000 10.872000 0.244000 12.784000 11.259000 -1.375000 12.139000 10.340000 -1.392000 14.029000 9.875000 -0.666000 14.663000 11.308000 -1.686000 14.378000 9.472000 -2.651000 14.023000 10.007000 -3.387000 13.461000 8.542000 -2.295000 13.631000 9.061000 -3.309000 15.307000 8.616000 -4.240000 15.290000 9.271000 -2.689000 16.476000 9.747000 -1.773000 16.480000 !entry.SA.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 43 43 0 0 0 0 !entry.SA.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "SA" 1 45 1 "?" 0 !entry.SA.unit.residuesPdbSequenceNumber array int 1 !entry.SA.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.SA.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 !entry.SPM.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C2" "cA" 0 1 131075 1 6 0.012739 "HX" "hE" 0 1 131075 2 1 0.087455 "C3" "cA" 0 1 131075 3 6 0.176625 "HA" "hE" 0 1 131075 4 1 0.051622 "HB" "hE" 0 1 131075 5 1 0.051622 "O31" "oT" 0 1 131075 6 8 -0.533356 "P31" "pA" 0 1 131075 7 15 1.324762 "O32" "oT" 0 1 131075 8 8 -0.459308 "C31" "cA" 0 1 131075 9 6 0.282447 "H1A" "hE" 0 1 131075 10 1 0.049886 "H1B" "hE" 0 1 131075 11 1 0.049886 "C32" "cA" 0 1 131075 12 6 -0.493665 "H2A" "hX" 0 1 131075 13 1 0.233840 "H2B" "hX" 0 1 131075 14 1 0.233840 "N31" "nA" 0 1 131075 15 7 0.245275 "C33" "cA" 0 1 131075 16 6 -0.386611 "H3A" "hX" 0 1 131075 17 1 0.191569 "H3B" "hX" 0 1 131075 18 1 0.191569 "H3C" "hX" 0 1 131075 19 1 0.191569 "C34" "cA" 0 1 131075 20 6 -0.386611 "H4A" "hX" 0 1 131075 21 1 0.191569 "H4B" "hX" 0 1 131075 22 1 0.191569 "H4C" "hX" 0 1 131075 23 1 0.191569 "C35" "cA" 0 1 131075 24 6 -0.386611 "H5A" "hX" 0 1 131075 25 1 0.191569 "H5B" "hX" 0 1 131075 26 1 0.191569 "H5C" "hX" 0 1 131075 27 1 0.191569 "O33" "oP" 0 1 131075 28 8 -0.884789 "O34" "oP" 0 1 131075 29 8 -0.884789 "N11" "nN" 0 1 131075 30 7 -0.388410 "H11" "hN" 0 1 131075 31 1 0.273592 "C11" "cC" 0 1 131075 32 6 0.617231 "O12" "oC" 0 1 131075 33 8 -0.645303 "C1" "cA" 0 1 131075 34 6 0.323092 "HR" "hE" 0 1 131075 35 1 0.069208 "O22" "oH" 0 1 131075 36 8 -0.723033 "H22" "hO" 0 1 131075 37 1 0.434964 !entry.SPM.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C2" "cA" 0 -1 0.0 "HX" "hE" 0 -1 0.0 "C3" "cA" 0 -1 0.0 "HA" "hE" 0 -1 0.0 "HB" "hE" 0 -1 0.0 "O31" "oT" 0 -1 0.0 "P31" "pA" 0 -1 0.0 "O32" "oT" 0 -1 0.0 "C31" "cA" 0 -1 0.0 "H1A" "hE" 0 -1 0.0 "H1B" "hE" 0 -1 0.0 "C32" "cA" 0 -1 0.0 "H2A" "hX" 0 -1 0.0 "H2B" "hX" 0 -1 0.0 "N31" "nA" 0 -1 0.0 "C33" "cA" 0 -1 0.0 "H3A" "hX" 0 -1 0.0 "H3B" "hX" 0 -1 0.0 "H3C" "hX" 0 -1 0.0 "C34" "cA" 0 -1 0.0 "H4A" "hX" 0 -1 0.0 "H4B" "hX" 0 -1 0.0 "H4C" "hX" 0 -1 0.0 "C35" "cA" 0 -1 0.0 "H5A" "hX" 0 -1 0.0 "H5B" "hX" 0 -1 0.0 "H5C" "hX" 0 -1 0.0 "O33" "oP" 0 -1 0.0 "O34" "oP" 0 -1 0.0 "N11" "nN" 0 -1 0.0 "H11" "hN" 0 -1 0.0 "C11" "cC" 0 -1 0.0 "O12" "oC" 0 -1 0.0 "C1" "cA" 0 -1 0.0 "HR" "hE" 0 -1 0.0 "O22" "oH" 0 -1 0.0 "H22" "hO" 0 -1 0.0 !entry.SPM.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.SPM.unit.childsequence single int 2 !entry.SPM.unit.connect array int 32 34 !entry.SPM.unit.connectivity table int atom1x int atom2x int flags 1 30 1 1 3 1 1 2 1 1 34 1 3 6 1 3 5 1 3 4 1 6 7 1 7 8 1 7 28 1 7 29 1 8 9 1 9 12 1 9 11 1 9 10 1 12 15 1 12 13 1 12 14 1 15 20 1 15 24 1 15 16 1 16 17 1 16 18 1 16 19 1 20 23 1 20 22 1 20 21 1 24 27 1 24 25 1 24 26 1 30 32 1 30 31 1 32 33 1 34 35 1 34 36 1 36 37 1 !entry.SPM.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 !entry.SPM.unit.name single str "SPM" !entry.SPM.unit.positions table dbl x dbl y dbl z -41.583000 54.249000 135.723000 -42.533000 53.708000 135.697000 -40.999000 53.884000 137.051000 -40.811000 52.812000 137.148000 -41.752000 54.112000 137.810000 -39.815000 54.716000 137.276000 -39.293000 55.046000 138.706000 -38.408000 53.823000 139.126000 -39.007000 52.753000 139.780000 -39.703000 52.245000 139.107000 -39.513000 53.055000 140.700000 -37.924000 51.780000 140.007000 -37.321000 51.694000 139.101000 -38.386000 50.810000 140.197000 -36.964000 52.047000 141.081000 -36.033000 53.154000 140.832000 -35.716000 52.950000 139.809000 -36.582000 54.084000 140.986000 -35.184000 53.174000 141.517000 -37.627000 52.236000 142.409000 -36.897000 52.122000 143.212000 -37.859000 53.302000 142.403000 -38.452000 51.526000 142.332000 -36.268000 50.708000 141.208000 -35.199000 50.867000 141.358000 -36.826000 50.065000 141.889000 -36.280000 50.262000 140.212000 -40.354000 55.264000 139.710000 -38.275000 56.136000 138.639000 -40.692000 54.026000 134.611000 -39.968000 54.718000 134.492000 -40.660000 52.864000 133.849000 -41.427000 51.930000 133.938000 -42.202000 55.632000 135.867000 -41.432000 56.273000 136.304000 -43.465000 55.672000 136.573000 -44.064000 56.048000 135.903000 !entry.SPM.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 0 0 0 0 0 0 !entry.SPM.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "SPM" 5 38 1 "?" 0 !entry.SPM.unit.residuesPdbSequenceNumber array int 1 !entry.SPM.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.SPM.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 !entry.ST.unit.atoms table str name str type int typex int resx int flags int seq int elmnt dbl chg "C118" "cD" 0 1 131073 1 6 -0.120069 "H18R" "hL" 0 1 131073 2 1 0.027938 "H18S" "hL" 0 1 131073 3 1 0.027938 "H18T" "hL" 0 1 131073 4 1 0.027938 "C117" "cD" 0 1 131073 5 6 0.020665 "H17R" "hL" 0 1 131073 6 1 0.008483 "H17S" "hL" 0 1 131073 7 1 0.008483 "C116" "cD" 0 1 131073 8 6 -0.027654 "H16R" "hL" 0 1 131073 9 1 0.015627 "H16S" "hL" 0 1 131073 10 1 0.015627 "C115" "cD" 0 1 131073 11 6 -0.032444 "H15R" "hL" 0 1 131073 12 1 0.010253 "H15S" "hL" 0 1 131073 13 1 0.010253 "C114" "cD" 0 1 131073 14 6 -0.013489 "H14R" "hL" 0 1 131073 15 1 0.010073 "H14S" "hL" 0 1 131073 16 1 0.010073 "C113" "cD" 0 1 131073 17 6 -0.011590 "H13R" "hL" 0 1 131073 18 1 0.006022 "H13S" "hL" 0 1 131073 19 1 0.006022 "C112" "cD" 0 1 131073 20 6 -0.019153 "H12R" "hL" 0 1 131073 21 1 0.008198 "H12S" "hL" 0 1 131073 22 1 0.008198 "C111" "cD" 0 1 131073 23 6 -0.017093 "H11R" "hL" 0 1 131073 24 1 0.010206 "H11S" "hL" 0 1 131073 25 1 0.010206 "C110" "cD" 0 1 131073 26 6 -0.026418 "H10R" "hL" 0 1 131073 27 1 0.010825 "H10S" "hL" 0 1 131073 28 1 0.010825 "C19" "cD" 0 1 131073 29 6 -0.017997 "H9R" "hL" 0 1 131073 30 1 0.009595 "H9S" "hL" 0 1 131073 31 1 0.009595 "C18" "cD" 0 1 131073 32 6 -0.014623 "H8R" "hL" 0 1 131073 33 1 0.007326 "H8S" "hL" 0 1 131073 34 1 0.007326 "C17" "cD" 0 1 131073 35 6 -0.019469 "H7R" "hL" 0 1 131073 36 1 0.009292 "H7S" "hL" 0 1 131073 37 1 0.009292 "C16" "cD" 0 1 131073 38 6 -0.037627 "H6R" "hL" 0 1 131073 39 1 0.017740 "H6S" "hL" 0 1 131073 40 1 0.017740 "C15" "cD" 0 1 131073 41 6 -0.013443 "H5R" "hL" 0 1 131073 42 1 0.008191 "H5S" "hL" 0 1 131073 43 1 0.008191 "C14" "cD" 0 1 131073 44 6 -0.059792 "H4R" "hL" 0 1 131073 45 1 0.024241 "H4S" "hL" 0 1 131073 46 1 0.024241 "C13" "cD" 0 1 131073 47 6 -0.000128 "H3R" "hL" 0 1 131073 48 1 0.013886 "H3S" "hL" 0 1 131073 49 1 0.013886 "C12" "cD" 0 1 131073 50 6 -0.117020 "H2R" "hL" 0 1 131073 51 1 0.051807 "H2S" "hL" 0 1 131073 52 1 0.051807 !entry.ST.unit.atomspertinfo table str pname str ptype int ptypex int pelmnt dbl pchg "C118" "cD" 0 -1 0.0 "H18R" "hL" 0 -1 0.0 "H18S" "hL" 0 -1 0.0 "H18T" "hL" 0 -1 0.0 "C117" "cD" 0 -1 0.0 "H17R" "hL" 0 -1 0.0 "H17S" "hL" 0 -1 0.0 "C116" "cD" 0 -1 0.0 "H16R" "hL" 0 -1 0.0 "H16S" "hL" 0 -1 0.0 "C115" "cD" 0 -1 0.0 "H15R" "hL" 0 -1 0.0 "H15S" "hL" 0 -1 0.0 "C114" "cD" 0 -1 0.0 "H14R" "hL" 0 -1 0.0 "H14S" "hL" 0 -1 0.0 "C113" "cD" 0 -1 0.0 "H13R" "hL" 0 -1 0.0 "H13S" "hL" 0 -1 0.0 "C112" "cD" 0 -1 0.0 "H12R" "hL" 0 -1 0.0 "H12S" "hL" 0 -1 0.0 "C111" "cD" 0 -1 0.0 "H11R" "hL" 0 -1 0.0 "H11S" "hL" 0 -1 0.0 "C110" "cD" 0 -1 0.0 "H10R" "hL" 0 -1 0.0 "H10S" "hL" 0 -1 0.0 "C19" "cD" 0 -1 0.0 "H9R" "hL" 0 -1 0.0 "H9S" "hL" 0 -1 0.0 "C18" "cD" 0 -1 0.0 "H8R" "hL" 0 -1 0.0 "H8S" "hL" 0 -1 0.0 "C17" "cD" 0 -1 0.0 "H7R" "hL" 0 -1 0.0 "H7S" "hL" 0 -1 0.0 "C16" "cD" 0 -1 0.0 "H6R" "hL" 0 -1 0.0 "H6S" "hL" 0 -1 0.0 "C15" "cD" 0 -1 0.0 "H5R" "hL" 0 -1 0.0 "H5S" "hL" 0 -1 0.0 "C14" "cD" 0 -1 0.0 "H4R" "hL" 0 -1 0.0 "H4S" "hL" 0 -1 0.0 "C13" "cD" 0 -1 0.0 "H3R" "hL" 0 -1 0.0 "H3S" "hL" 0 -1 0.0 "C12" "cD" 0 -1 0.0 "H2R" "hL" 0 -1 0.0 "H2S" "hL" 0 -1 0.0 !entry.ST.unit.boundbox array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.ST.unit.childsequence single int 2 !entry.ST.unit.connect array int 50 50 !entry.ST.unit.connectivity table int atom1x int atom2x int flags 1 5 1 1 4 1 1 3 1 1 2 1 5 8 1 5 7 1 5 6 1 8 11 1 8 9 1 8 10 1 11 14 1 11 13 1 11 12 1 14 17 1 14 15 1 14 16 1 17 20 1 17 19 1 17 18 1 20 23 1 20 21 1 20 22 1 23 26 1 23 25 1 23 24 1 26 29 1 26 27 1 26 28 1 29 32 1 29 31 1 29 30 1 32 35 1 32 33 1 32 34 1 35 38 1 35 37 1 35 36 1 38 41 1 38 39 1 38 40 1 41 44 1 41 43 1 41 42 1 44 47 1 44 45 1 44 46 1 47 50 1 47 49 1 47 48 1 50 51 1 50 52 1 !entry.ST.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 "R" 1 "A" 33 "R" 1 "A" 34 "R" 1 "A" 35 "R" 1 "A" 36 "R" 1 "A" 37 "R" 1 "A" 38 "R" 1 "A" 39 "R" 1 "A" 40 "R" 1 "A" 41 "R" 1 "A" 42 "R" 1 "A" 43 "R" 1 "A" 44 "R" 1 "A" 45 "R" 1 "A" 46 "R" 1 "A" 47 "R" 1 "A" 48 "R" 1 "A" 49 "R" 1 "A" 50 "R" 1 "A" 51 "R" 1 "A" 52 !entry.ST.unit.name single str "ST" !entry.ST.unit.positions table dbl x dbl y dbl z 12.346000 0.172000 0.239000 13.222000 0.143000 -0.403000 12.424000 -0.652000 0.943000 12.385000 1.096000 0.809000 11.057000 0.081000 -0.577000 11.064000 -0.836000 -1.161000 11.026000 0.899000 -1.294000 9.797000 0.120000 0.290000 9.792000 1.038000 0.875000 9.831000 -0.698000 1.008000 8.502000 0.029000 -0.520000 8.507000 -0.889000 -1.105000 8.469000 0.847000 -1.238000 7.242000 0.068000 0.348000 7.236000 0.986000 0.933000 7.275000 -0.750000 1.066000 5.947000 -0.023000 -0.462000 5.952000 -0.941000 -1.047000 5.914000 0.795000 -1.180000 4.687000 0.016000 0.405000 4.681000 0.934000 0.990000 4.720000 -0.802000 1.123000 3.392000 -0.075000 -0.404000 3.397000 -0.993000 -0.989000 3.359000 0.743000 -1.122000 2.132000 -0.036000 0.463000 2.126000 0.882000 1.048000 2.165000 -0.854000 1.181000 0.837000 -0.127000 -0.347000 0.842000 -1.045000 -0.932000 0.804000 0.691000 -1.065000 -0.423000 -0.089000 0.521000 -0.429000 0.830000 1.106000 -0.390000 -0.906000 1.239000 -1.718000 -0.180000 -0.289000 -1.712000 -1.098000 -0.874000 -1.751000 0.638000 -1.007000 -2.977000 -0.141000 0.578000 -2.984000 0.777000 1.163000 -2.944000 -0.959000 1.297000 -4.272000 -0.234000 -0.232000 -4.267000 -1.152000 -0.815000 -4.306000 0.584000 -0.950000 -5.531000 -0.196000 0.636000 -5.539000 0.724000 1.220000 -5.498000 -1.012000 1.355000 -6.822000 -0.294000 -0.177000 -6.828000 -1.215000 -0.752000 -6.861000 0.522000 -0.896000 -8.079000 -0.265000 0.706000 -8.110000 0.652000 1.284000 -8.050000 -1.094000 1.403000 !entry.ST.unit.residueconnect table int c1x int c2x int c3x int c4x int c5x int c6x 50 50 0 0 0 0 !entry.ST.unit.residues table str name int seq int childseq int startatomx str restype int imagingx "ST" 1 54 1 "?" 0 !entry.ST.unit.residuesPdbSequenceNumber array int 1 !entry.ST.unit.solventcap array dbl -1.000000 0.0 0.0 0.0 0.0 !entry.ST.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