USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 186 hydrogens (13 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 31:sc= 0.0785 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.67 (180deg=-2.37!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 9 DC O5' : rot 180:sc= 0 USER MOD Single : B 11 DT C7 :methyl -30:sc= -0.268 (180deg=-1.02) USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 14 DT C7 :methyl -30:sc= -0.527 (180deg=-2.52!) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.943 -8.367 -2.109 1.00 0.00 O ATOM 2 C5' DG A 1 2.268 -8.795 -2.354 1.00 0.00 C ATOM 3 C4' DG A 1 3.269 -7.881 -1.638 1.00 0.00 C ATOM 4 O4' DG A 1 2.959 -6.516 -1.926 1.00 0.00 O ATOM 5 C3' DG A 1 3.274 -8.054 -0.112 1.00 0.00 C ATOM 6 O3' DG A 1 4.618 -8.202 0.316 1.00 0.00 O ATOM 7 C2' DG A 1 2.642 -6.764 0.353 1.00 0.00 C ATOM 8 C1' DG A 1 3.062 -5.777 -0.719 1.00 0.00 C ATOM 9 N9 DG A 1 2.175 -4.595 -0.717 1.00 0.00 N ATOM 10 C8 DG A 1 0.807 -4.556 -0.811 1.00 0.00 C ATOM 11 N7 DG A 1 0.298 -3.357 -0.788 1.00 0.00 N ATOM 12 C5 DG A 1 1.411 -2.530 -0.606 1.00 0.00 C ATOM 13 C6 DG A 1 1.526 -1.103 -0.479 1.00 0.00 C ATOM 14 O6 DG A 1 0.659 -0.233 -0.553 1.00 0.00 O ATOM 15 N1 DG A 1 2.825 -0.685 -0.255 1.00 0.00 N ATOM 16 C2 DG A 1 3.898 -1.522 -0.174 1.00 0.00 C ATOM 17 N2 DG A 1 5.065 -0.983 0.080 1.00 0.00 N ATOM 18 N3 DG A 1 3.832 -2.844 -0.313 1.00 0.00 N ATOM 19 C4 DG A 1 2.561 -3.289 -0.529 1.00 0.00 C ATOM 0 H5' DG A 1 2.465 -8.791 -3.426 1.00 0.00 H new ATOM 0 H5'' DG A 1 2.394 -9.822 -2.011 1.00 0.00 H new ATOM 0 H4' DG A 1 4.255 -8.161 -2.008 1.00 0.00 H new ATOM 0 H3' DG A 1 2.744 -8.924 0.275 1.00 0.00 H new ATOM 0 H2' DG A 1 1.557 -6.847 0.423 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.003 -6.469 1.338 1.00 0.00 H new ATOM 0 HO5' DG A 1 0.930 -7.394 -1.989 1.00 0.00 H new ATOM 0 H1' DG A 1 4.067 -5.383 -0.568 1.00 0.00 H new ATOM 0 H8 DG A 1 0.202 -5.446 -0.897 1.00 0.00 H new ATOM 0 H1 DG A 1 2.991 0.315 -0.143 1.00 0.00 H new ATOM 0 H21 DG A 1 5.895 -1.572 0.149 1.00 0.00 H new ATOM 0 H22 DG A 1 5.144 0.026 0.208 1.00 0.00 H new ATOM 32 P DT A 2 5.020 -8.481 1.857 1.00 0.00 P ATOM 33 OP1 DT A 2 6.066 -9.523 1.871 1.00 0.00 O ATOM 34 OP2 DT A 2 3.778 -8.653 2.641 1.00 0.00 O ATOM 35 O5' DT A 2 5.686 -7.074 2.274 1.00 0.00 O ATOM 36 C5' DT A 2 6.903 -6.648 1.680 1.00 0.00 C ATOM 37 C4' DT A 2 7.444 -5.345 2.286 1.00 0.00 C ATOM 38 O4' DT A 2 6.523 -4.287 2.060 1.00 0.00 O ATOM 39 C3' DT A 2 7.710 -5.431 3.794 1.00 0.00 C ATOM 40 O3' DT A 2 8.893 -4.702 4.086 1.00 0.00 O ATOM 41 C2' DT A 2 6.463 -4.786 4.373 1.00 0.00 C ATOM 42 C1' DT A 2 6.147 -3.733 3.310 1.00 0.00 C ATOM 43 N1 DT A 2 4.717 -3.325 3.259 1.00 0.00 N ATOM 44 C2 DT A 2 4.429 -1.957 3.242 1.00 0.00 C ATOM 45 O2 DT A 2 5.279 -1.077 3.336 1.00 0.00 O ATOM 46 N3 DT A 2 3.105 -1.608 3.093 1.00 0.00 N ATOM 47 C4 DT A 2 2.047 -2.483 2.972 1.00 0.00 C ATOM 48 O4 DT A 2 0.924 -2.021 2.797 1.00 0.00 O ATOM 49 C5 DT A 2 2.405 -3.897 3.053 1.00 0.00 C ATOM 50 C7 DT A 2 1.327 -4.969 2.985 1.00 0.00 C ATOM 51 C6 DT A 2 3.707 -4.265 3.181 1.00 0.00 C ATOM 0 H5' DT A 2 6.749 -6.508 0.610 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.651 -7.433 1.794 1.00 0.00 H new ATOM 0 H4' DT A 2 8.397 -5.161 1.791 1.00 0.00 H new ATOM 0 H3' DT A 2 7.873 -6.432 4.193 1.00 0.00 H new ATOM 0 H2' DT A 2 5.650 -5.502 4.497 1.00 0.00 H new ATOM 0 H2'' DT A 2 6.647 -4.340 5.351 1.00 0.00 H new ATOM 0 H1' DT A 2 6.698 -2.826 3.559 1.00 0.00 H new ATOM 0 H3 DT A 2 2.888 -0.612 3.070 1.00 0.00 H new ATOM 0 H71 DT A 2 0.398 -4.578 3.399 1.00 0.00 H new ATOM 0 H72 DT A 2 1.167 -5.259 1.947 1.00 0.00 H new ATOM 0 H73 DT A 2 1.643 -5.839 3.560 1.00 0.00 H new ATOM 0 H6 DT A 2 3.958 -5.315 3.223 1.00 0.00 H new ATOM 64 P DA A 3 9.573 -4.719 5.551 1.00 0.00 P ATOM 65 OP1 DA A 3 11.019 -4.455 5.382 1.00 0.00 O ATOM 66 OP2 DA A 3 9.120 -5.935 6.259 1.00 0.00 O ATOM 67 O5' DA A 3 8.900 -3.435 6.259 1.00 0.00 O ATOM 68 C5' DA A 3 9.292 -2.121 5.896 1.00 0.00 C ATOM 69 C4' DA A 3 8.601 -1.039 6.734 1.00 0.00 C ATOM 70 O4' DA A 3 7.249 -0.873 6.334 1.00 0.00 O ATOM 71 C3' DA A 3 8.617 -1.303 8.246 1.00 0.00 C ATOM 72 O3' DA A 3 9.089 -0.111 8.857 1.00 0.00 O ATOM 73 C2' DA A 3 7.148 -1.614 8.539 1.00 0.00 C ATOM 74 C1' DA A 3 6.446 -0.755 7.493 1.00 0.00 C ATOM 75 N9 DA A 3 5.072 -1.167 7.136 1.00 0.00 N ATOM 76 C8 DA A 3 4.570 -2.423 6.903 1.00 0.00 C ATOM 77 N7 DA A 3 3.335 -2.439 6.474 1.00 0.00 N ATOM 78 C5 DA A 3 2.984 -1.081 6.466 1.00 0.00 C ATOM 79 C6 DA A 3 1.810 -0.354 6.151 1.00 0.00 C ATOM 80 N6 DA A 3 0.695 -0.916 5.713 1.00 0.00 N ATOM 81 N1 DA A 3 1.768 0.979 6.291 1.00 0.00 N ATOM 82 C2 DA A 3 2.874 1.589 6.716 1.00 0.00 C ATOM 83 N3 DA A 3 4.049 1.045 7.015 1.00 0.00 N ATOM 84 C4 DA A 3 4.034 -0.306 6.875 1.00 0.00 C ATOM 0 H5' DA A 3 9.065 -1.958 4.842 1.00 0.00 H new ATOM 0 H5'' DA A 3 10.372 -2.026 6.008 1.00 0.00 H new ATOM 0 H4' DA A 3 9.184 -0.137 6.548 1.00 0.00 H new ATOM 0 H3' DA A 3 9.254 -2.110 8.609 1.00 0.00 H new ATOM 0 H2' DA A 3 6.921 -2.673 8.421 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.864 -1.339 9.555 1.00 0.00 H new ATOM 0 H1' DA A 3 6.339 0.250 7.900 1.00 0.00 H new ATOM 0 H8 DA A 3 5.147 -3.322 7.061 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.119 -0.338 5.503 1.00 0.00 H new ATOM 0 H62 DA A 3 0.649 -1.927 5.586 1.00 0.00 H new ATOM 0 H2 DA A 3 2.807 2.661 6.832 1.00 0.00 H new ATOM 96 P DC A 4 9.321 0.039 10.446 1.00 0.00 P ATOM 97 OP1 DC A 4 10.561 0.815 10.662 1.00 0.00 O ATOM 98 OP2 DC A 4 9.143 -1.281 11.086 1.00 0.00 O ATOM 99 O5' DC A 4 8.068 0.967 10.832 1.00 0.00 O ATOM 100 C5' DC A 4 7.992 2.314 10.382 1.00 0.00 C ATOM 101 C4' DC A 4 6.662 2.969 10.778 1.00 0.00 C ATOM 102 O4' DC A 4 5.610 2.306 10.081 1.00 0.00 O ATOM 103 C3' DC A 4 6.390 2.878 12.289 1.00 0.00 C ATOM 104 O3' DC A 4 5.822 4.070 12.802 1.00 0.00 O ATOM 105 C2' DC A 4 5.377 1.753 12.323 1.00 0.00 C ATOM 106 C1' DC A 4 4.612 1.975 11.022 1.00 0.00 C ATOM 107 N1 DC A 4 3.772 0.824 10.581 1.00 0.00 N ATOM 108 C2 DC A 4 2.576 1.091 9.909 1.00 0.00 C ATOM 109 O2 DC A 4 2.190 2.241 9.704 1.00 0.00 O ATOM 110 N3 DC A 4 1.784 0.069 9.491 1.00 0.00 N ATOM 111 C4 DC A 4 2.119 -1.175 9.779 1.00 0.00 C ATOM 112 N4 DC A 4 1.356 -2.122 9.294 1.00 0.00 N ATOM 113 C5 DC A 4 3.260 -1.495 10.560 1.00 0.00 C ATOM 114 C6 DC A 4 4.068 -0.472 10.924 1.00 0.00 C ATOM 0 H5' DC A 4 8.104 2.343 9.298 1.00 0.00 H new ATOM 0 H5'' DC A 4 8.819 2.886 10.803 1.00 0.00 H new ATOM 0 H4' DC A 4 6.715 4.026 10.516 1.00 0.00 H new ATOM 0 H3' DC A 4 7.286 2.720 12.889 1.00 0.00 H new ATOM 0 H2' DC A 4 5.855 0.774 12.353 1.00 0.00 H new ATOM 0 H2'' DC A 4 4.726 1.816 13.195 1.00 0.00 H new ATOM 0 H1' DC A 4 3.868 2.762 11.148 1.00 0.00 H new ATOM 0 H41 DC A 4 1.572 -3.100 9.487 1.00 0.00 H new ATOM 0 H42 DC A 4 0.546 -1.882 8.723 1.00 0.00 H new ATOM 0 H5 DC A 4 3.475 -2.512 10.852 1.00 0.00 H new ATOM 0 H6 DC A 4 4.961 -0.679 11.494 1.00 0.00 H new HETATM 126 P NCX A 5 5.697 4.327 14.395 1.00 0.00 P HETATM 127 OP1 NCX A 5 6.705 5.331 14.788 1.00 0.00 O HETATM 128 OP2 NCX A 5 5.622 3.017 15.096 1.00 0.00 O HETATM 129 O5' NCX A 5 4.239 4.977 14.530 1.00 0.00 O HETATM 130 C5' NCX A 5 3.814 6.110 13.797 1.00 0.00 C HETATM 131 C4' NCX A 5 2.367 6.467 14.184 1.00 0.00 C HETATM 132 O4' NCX A 5 1.466 5.438 13.786 1.00 0.00 O HETATM 133 C1' NCX A 5 0.964 4.760 14.930 1.00 0.00 C HETATM 134 N9 NCX A 5 1.151 3.290 14.778 1.00 0.00 N HETATM 135 C8 NCX A 5 2.310 2.551 15.022 1.00 0.00 C HETATM 136 C7 NCX A 5 2.052 1.198 14.914 1.00 0.00 C HETATM 137 CO7 NCX A 5 3.042 0.127 15.131 1.00 0.00 C HETATM 138 O7 NCX A 5 2.835 -1.062 15.107 1.00 0.00 O HETATM 139 NH7 NCX A 5 4.295 0.529 15.378 1.00 0.00 N HETATM 140 C5 NCX A 5 0.657 1.107 14.645 1.00 0.00 C HETATM 141 C4 NCX A 5 0.169 2.382 14.557 1.00 0.00 C HETATM 142 C3 NCX A 5 -1.177 2.624 14.297 1.00 0.00 C HETATM 143 C2 NCX A 5 -2.043 1.528 14.276 1.00 0.00 C HETATM 144 C1 NCX A 5 -1.561 0.216 14.449 1.00 0.00 C HETATM 145 N1 NCX A 5 -2.511 -0.925 14.583 1.00 0.00 N HETATM 146 O11 NCX A 5 -2.043 -2.049 14.662 1.00 0.00 O HETATM 147 O12 NCX A 5 -3.704 -0.669 14.607 1.00 0.00 O HETATM 148 C6 NCX A 5 -0.177 -0.004 14.533 1.00 0.00 C HETATM 149 C3' NCX A 5 2.200 6.697 15.687 1.00 0.00 C HETATM 150 C2' NCX A 5 1.663 5.353 16.158 1.00 0.00 C HETATM 151 O3' NCX A 5 1.297 7.774 15.884 1.00 0.00 O HETATM 0 HH72 NCX A 5 5.030 -0.160 15.537 1.00 0.00 H new HETATM 0 HH71 NCX A 5 4.515 1.525 15.407 1.00 0.00 H new HETATM 0 H5'' NCX A 5 4.473 6.954 13.999 1.00 0.00 H new HETATM 0 H2'' NCX A 5 0.968 5.474 16.989 1.00 0.00 H new HETATM 0 H8 NCX A 5 3.282 2.981 15.264 1.00 0.00 H new HETATM 0 H6 NCX A 5 0.233 -1.014 14.511 1.00 0.00 H new HETATM 0 H5' NCX A 5 3.875 5.907 12.728 1.00 0.00 H new HETATM 0 H4' NCX A 5 2.138 7.396 13.662 1.00 0.00 H new HETATM 0 H3' NCX A 5 3.100 6.978 16.234 1.00 0.00 H new HETATM 0 H3 NCX A 5 -1.543 3.635 14.116 1.00 0.00 H new HETATM 0 H2' NCX A 5 2.468 4.705 16.507 1.00 0.00 H new HETATM 0 H2 NCX A 5 -3.110 1.691 14.123 1.00 0.00 H new HETATM 0 H1' NCX A 5 -0.110 4.901 15.051 1.00 0.00 H new ATOM 165 P DA A 6 0.916 8.340 17.349 1.00 0.00 P ATOM 166 OP1 DA A 6 0.752 9.806 17.256 1.00 0.00 O ATOM 167 OP2 DA A 6 1.832 7.752 18.349 1.00 0.00 O ATOM 168 O5' DA A 6 -0.533 7.682 17.568 1.00 0.00 O ATOM 169 C5' DA A 6 -1.618 8.027 16.722 1.00 0.00 C ATOM 170 C4' DA A 6 -2.926 7.345 17.140 1.00 0.00 C ATOM 171 O4' DA A 6 -2.798 5.934 17.009 1.00 0.00 O ATOM 172 C3' DA A 6 -3.342 7.656 18.582 1.00 0.00 C ATOM 173 O3' DA A 6 -4.758 7.766 18.622 1.00 0.00 O ATOM 174 C2' DA A 6 -2.785 6.452 19.331 1.00 0.00 C ATOM 175 C1' DA A 6 -2.858 5.329 18.291 1.00 0.00 C ATOM 176 N9 DA A 6 -1.765 4.327 18.406 1.00 0.00 N ATOM 177 C8 DA A 6 -0.455 4.495 18.792 1.00 0.00 C ATOM 178 N7 DA A 6 0.253 3.396 18.803 1.00 0.00 N ATOM 179 C5 DA A 6 -0.656 2.426 18.368 1.00 0.00 C ATOM 180 C6 DA A 6 -0.581 1.034 18.120 1.00 0.00 C ATOM 181 N6 DA A 6 0.508 0.292 18.284 1.00 0.00 N ATOM 182 N1 DA A 6 -1.651 0.374 17.670 1.00 0.00 N ATOM 183 C2 DA A 6 -2.778 1.055 17.468 1.00 0.00 C ATOM 184 N3 DA A 6 -2.995 2.349 17.665 1.00 0.00 N ATOM 185 C4 DA A 6 -1.882 2.987 18.118 1.00 0.00 C ATOM 0 H5' DA A 6 -1.378 7.748 15.696 1.00 0.00 H new ATOM 0 H5'' DA A 6 -1.755 9.108 16.735 1.00 0.00 H new ATOM 0 H4' DA A 6 -3.697 7.740 16.479 1.00 0.00 H new ATOM 0 H3' DA A 6 -2.976 8.589 19.011 1.00 0.00 H new ATOM 0 H2' DA A 6 -1.762 6.624 19.667 1.00 0.00 H new ATOM 0 H2'' DA A 6 -3.376 6.220 20.217 1.00 0.00 H new ATOM 0 H1' DA A 6 -3.786 4.783 18.457 1.00 0.00 H new ATOM 0 H8 DA A 6 -0.045 5.456 19.064 1.00 0.00 H new ATOM 0 H61 DA A 6 0.479 -0.708 18.083 1.00 0.00 H new ATOM 0 H62 DA A 6 1.373 0.722 18.611 1.00 0.00 H new ATOM 0 H2 DA A 6 -3.617 0.484 17.099 1.00 0.00 H new ATOM 197 P DC A 7 -5.586 8.022 19.985 1.00 0.00 P ATOM 198 OP1 DC A 7 -6.776 8.839 19.665 1.00 0.00 O ATOM 199 OP2 DC A 7 -4.648 8.451 21.045 1.00 0.00 O ATOM 200 O5' DC A 7 -6.073 6.523 20.312 1.00 0.00 O ATOM 201 C5' DC A 7 -7.005 5.873 19.461 1.00 0.00 C ATOM 202 C4' DC A 7 -7.217 4.402 19.831 1.00 0.00 C ATOM 203 O4' DC A 7 -6.000 3.679 19.647 1.00 0.00 O ATOM 204 C3' DC A 7 -7.681 4.171 21.280 1.00 0.00 C ATOM 205 O3' DC A 7 -8.674 3.162 21.270 1.00 0.00 O ATOM 206 C2' DC A 7 -6.380 3.742 21.923 1.00 0.00 C ATOM 207 C1' DC A 7 -5.800 2.882 20.798 1.00 0.00 C ATOM 208 N1 DC A 7 -4.363 2.545 20.984 1.00 0.00 N ATOM 209 C2 DC A 7 -3.942 1.221 20.807 1.00 0.00 C ATOM 210 O2 DC A 7 -4.718 0.336 20.446 1.00 0.00 O ATOM 211 N3 DC A 7 -2.653 0.875 21.057 1.00 0.00 N ATOM 212 C4 DC A 7 -1.811 1.792 21.500 1.00 0.00 C ATOM 213 N4 DC A 7 -0.572 1.417 21.692 1.00 0.00 N ATOM 214 C5 DC A 7 -2.191 3.149 21.709 1.00 0.00 C ATOM 215 C6 DC A 7 -3.467 3.489 21.422 1.00 0.00 C ATOM 0 H5' DC A 7 -6.656 5.938 18.430 1.00 0.00 H new ATOM 0 H5'' DC A 7 -7.960 6.396 19.508 1.00 0.00 H new ATOM 0 H4' DC A 7 -8.012 4.052 19.173 1.00 0.00 H new ATOM 0 H3' DC A 7 -8.138 5.012 21.801 1.00 0.00 H new ATOM 0 H2' DC A 7 -5.740 4.588 22.173 1.00 0.00 H new ATOM 0 H2'' DC A 7 -6.536 3.177 22.842 1.00 0.00 H new ATOM 0 H1' DC A 7 -6.283 1.906 20.748 1.00 0.00 H new ATOM 0 H41 DC A 7 0.117 2.088 22.033 1.00 0.00 H new ATOM 0 H42 DC A 7 -0.295 0.454 21.500 1.00 0.00 H new ATOM 0 H5 DC A 7 -1.487 3.878 22.082 1.00 0.00 H new ATOM 0 H6 DC A 7 -3.786 4.514 21.538 1.00 0.00 H new ATOM 227 P DG A 8 -9.501 2.727 22.583 1.00 0.00 P ATOM 228 OP1 DG A 8 -10.943 2.896 22.315 1.00 0.00 O ATOM 229 OP2 DG A 8 -8.887 3.330 23.785 1.00 0.00 O ATOM 230 O5' DG A 8 -9.166 1.159 22.591 1.00 0.00 O ATOM 231 C5' DG A 8 -9.578 0.335 21.514 1.00 0.00 C ATOM 232 C4' DG A 8 -9.385 -1.155 21.810 1.00 0.00 C ATOM 233 O4' DG A 8 -8.003 -1.475 21.779 1.00 0.00 O ATOM 234 C3' DG A 8 -9.920 -1.574 23.187 1.00 0.00 C ATOM 235 O3' DG A 8 -10.405 -2.908 23.163 1.00 0.00 O ATOM 236 C2' DG A 8 -8.682 -1.478 24.070 1.00 0.00 C ATOM 237 C1' DG A 8 -7.568 -1.822 23.082 1.00 0.00 C ATOM 238 N9 DG A 8 -6.274 -1.184 23.408 1.00 0.00 N ATOM 239 C8 DG A 8 -5.948 0.142 23.565 1.00 0.00 C ATOM 240 N7 DG A 8 -4.690 0.344 23.858 1.00 0.00 N ATOM 241 C5 DG A 8 -4.141 -0.944 23.906 1.00 0.00 C ATOM 242 C6 DG A 8 -2.807 -1.419 24.168 1.00 0.00 C ATOM 243 O6 DG A 8 -1.772 -0.795 24.393 1.00 0.00 O ATOM 244 N1 DG A 8 -2.709 -2.800 24.159 1.00 0.00 N ATOM 245 C2 DG A 8 -3.751 -3.642 23.916 1.00 0.00 C ATOM 246 N2 DG A 8 -3.510 -4.932 23.928 1.00 0.00 N ATOM 247 N3 DG A 8 -4.996 -3.243 23.669 1.00 0.00 N ATOM 248 C4 DG A 8 -5.122 -1.881 23.666 1.00 0.00 C ATOM 0 H5' DG A 8 -9.013 0.601 20.620 1.00 0.00 H new ATOM 0 H5'' DG A 8 -10.629 0.526 21.296 1.00 0.00 H new ATOM 0 H4' DG A 8 -9.947 -1.689 21.043 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.754 -0.960 23.527 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.559 -0.482 24.495 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.719 -2.178 24.905 1.00 0.00 H new ATOM 0 HO3' DG A 8 -10.738 -3.151 24.052 1.00 0.00 H new ATOM 0 H1' DG A 8 -7.377 -2.893 23.145 1.00 0.00 H new ATOM 0 H8 DG A 8 -6.665 0.943 23.456 1.00 0.00 H new ATOM 0 H1 DG A 8 -1.796 -3.214 24.347 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.266 -5.594 23.750 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.567 -5.273 24.115 1.00 0.00 H new TER 261 DG A 8 ATOM 262 O5' DC B 9 4.871 -7.754 25.579 1.00 0.00 O ATOM 263 C5' DC B 9 4.061 -8.653 26.325 1.00 0.00 C ATOM 264 C4' DC B 9 2.636 -8.795 25.759 1.00 0.00 C ATOM 265 O4' DC B 9 1.932 -7.567 25.910 1.00 0.00 O ATOM 266 C3' DC B 9 2.596 -9.184 24.276 1.00 0.00 C ATOM 267 O3' DC B 9 1.553 -10.129 24.080 1.00 0.00 O ATOM 268 C2' DC B 9 2.303 -7.850 23.610 1.00 0.00 C ATOM 269 C1' DC B 9 1.390 -7.203 24.653 1.00 0.00 C ATOM 270 N1 DC B 9 1.309 -5.719 24.557 1.00 0.00 N ATOM 271 C2 DC B 9 0.049 -5.115 24.496 1.00 0.00 C ATOM 272 O2 DC B 9 -0.986 -5.777 24.497 1.00 0.00 O ATOM 273 N3 DC B 9 -0.063 -3.764 24.450 1.00 0.00 N ATOM 274 C4 DC B 9 1.033 -3.025 24.427 1.00 0.00 C ATOM 275 N4 DC B 9 0.856 -1.727 24.386 1.00 0.00 N ATOM 276 C5 DC B 9 2.345 -3.585 24.508 1.00 0.00 C ATOM 277 C6 DC B 9 2.441 -4.938 24.581 1.00 0.00 C ATOM 0 H5' DC B 9 4.003 -8.309 27.357 1.00 0.00 H new ATOM 0 H5'' DC B 9 4.538 -9.633 26.342 1.00 0.00 H new ATOM 0 H4' DC B 9 2.171 -9.601 26.326 1.00 0.00 H new ATOM 0 H3' DC B 9 3.499 -9.652 23.884 1.00 0.00 H new ATOM 0 H2' DC B 9 3.208 -7.268 23.435 1.00 0.00 H new ATOM 0 H2'' DC B 9 1.809 -7.969 22.646 1.00 0.00 H new ATOM 0 HO5' DC B 9 5.762 -7.703 25.985 1.00 0.00 H new ATOM 0 H1' DC B 9 0.369 -7.552 24.497 1.00 0.00 H new ATOM 0 H41 DC B 9 1.662 -1.103 24.367 1.00 0.00 H new ATOM 0 H42 DC B 9 -0.088 -1.341 24.374 1.00 0.00 H new ATOM 0 H5 DC B 9 3.224 -2.958 24.511 1.00 0.00 H new ATOM 0 H6 DC B 9 3.412 -5.404 24.658 1.00 0.00 H new ATOM 290 P DG B 10 1.336 -10.883 22.667 1.00 0.00 P ATOM 291 OP1 DG B 10 0.714 -12.194 22.950 1.00 0.00 O ATOM 292 OP2 DG B 10 2.607 -10.814 21.914 1.00 0.00 O ATOM 293 O5' DG B 10 0.249 -9.948 21.925 1.00 0.00 O ATOM 294 C5' DG B 10 -1.121 -9.990 22.299 1.00 0.00 C ATOM 295 C4' DG B 10 -2.010 -9.072 21.449 1.00 0.00 C ATOM 296 O4' DG B 10 -1.793 -7.714 21.813 1.00 0.00 O ATOM 297 C3' DG B 10 -1.795 -9.197 19.931 1.00 0.00 C ATOM 298 O3' DG B 10 -3.060 -9.306 19.293 1.00 0.00 O ATOM 299 C2' DG B 10 -1.107 -7.881 19.598 1.00 0.00 C ATOM 300 C1' DG B 10 -1.746 -6.954 20.622 1.00 0.00 C ATOM 301 N9 DG B 10 -0.981 -5.709 20.831 1.00 0.00 N ATOM 302 C8 DG B 10 0.371 -5.541 20.990 1.00 0.00 C ATOM 303 N7 DG B 10 0.744 -4.305 21.162 1.00 0.00 N ATOM 304 C5 DG B 10 -0.451 -3.584 21.065 1.00 0.00 C ATOM 305 C6 DG B 10 -0.723 -2.175 21.119 1.00 0.00 C ATOM 306 O6 DG B 10 0.047 -1.234 21.303 1.00 0.00 O ATOM 307 N1 DG B 10 -2.058 -1.872 20.925 1.00 0.00 N ATOM 308 C2 DG B 10 -3.032 -2.797 20.708 1.00 0.00 C ATOM 309 N2 DG B 10 -4.251 -2.357 20.518 1.00 0.00 N ATOM 310 N3 DG B 10 -2.820 -4.111 20.660 1.00 0.00 N ATOM 311 C4 DG B 10 -1.508 -4.442 20.847 1.00 0.00 C ATOM 0 H5' DG B 10 -1.213 -9.705 23.347 1.00 0.00 H new ATOM 0 H5'' DG B 10 -1.483 -11.015 22.214 1.00 0.00 H new ATOM 0 H4' DG B 10 -3.030 -9.394 21.656 1.00 0.00 H new ATOM 0 H3' DG B 10 -1.218 -10.065 19.612 1.00 0.00 H new ATOM 0 H2' DG B 10 -0.025 -7.940 19.714 1.00 0.00 H new ATOM 0 H2'' DG B 10 -1.301 -7.561 18.574 1.00 0.00 H new ATOM 0 H1' DG B 10 -2.729 -6.625 20.284 1.00 0.00 H new ATOM 0 H8 DG B 10 1.069 -6.365 20.974 1.00 0.00 H new ATOM 0 H1 DG B 10 -2.331 -0.889 20.946 1.00 0.00 H new ATOM 0 H21 DG B 10 -5.011 -3.017 20.352 1.00 0.00 H new ATOM 0 H22 DG B 10 -4.440 -1.355 20.536 1.00 0.00 H new ATOM 323 P DT B 11 -3.208 -9.562 17.702 1.00 0.00 P ATOM 324 OP1 DT B 11 -4.216 -10.626 17.505 1.00 0.00 O ATOM 325 OP2 DT B 11 -1.857 -9.702 17.116 1.00 0.00 O ATOM 326 O5' DT B 11 -3.829 -8.164 17.189 1.00 0.00 O ATOM 327 C5' DT B 11 -5.191 -7.847 17.439 1.00 0.00 C ATOM 328 C4' DT B 11 -5.635 -6.544 16.761 1.00 0.00 C ATOM 329 O4' DT B 11 -5.016 -5.459 17.436 1.00 0.00 O ATOM 330 C3' DT B 11 -5.342 -6.498 15.265 1.00 0.00 C ATOM 331 O3' DT B 11 -6.547 -6.160 14.595 1.00 0.00 O ATOM 332 C2' DT B 11 -4.335 -5.369 15.169 1.00 0.00 C ATOM 333 C1' DT B 11 -4.370 -4.629 16.498 1.00 0.00 C ATOM 334 N1 DT B 11 -3.039 -4.210 17.000 1.00 0.00 N ATOM 335 C2 DT B 11 -2.916 -2.878 17.399 1.00 0.00 C ATOM 336 O2 DT B 11 -3.855 -2.090 17.463 1.00 0.00 O ATOM 337 N3 DT B 11 -1.653 -2.444 17.706 1.00 0.00 N ATOM 338 C4 DT B 11 -0.499 -3.193 17.659 1.00 0.00 C ATOM 339 O4 DT B 11 0.556 -2.620 17.917 1.00 0.00 O ATOM 340 C5 DT B 11 -0.702 -4.605 17.308 1.00 0.00 C ATOM 341 C7 DT B 11 0.461 -5.588 17.290 1.00 0.00 C ATOM 342 C6 DT B 11 -1.949 -5.057 16.993 1.00 0.00 C ATOM 0 H5' DT B 11 -5.348 -7.763 18.514 1.00 0.00 H new ATOM 0 H5'' DT B 11 -5.820 -8.666 17.088 1.00 0.00 H new ATOM 0 H4' DT B 11 -6.720 -6.479 16.836 1.00 0.00 H new ATOM 0 H3' DT B 11 -4.974 -7.428 14.830 1.00 0.00 H new ATOM 0 H2' DT B 11 -3.337 -5.758 14.970 1.00 0.00 H new ATOM 0 H2'' DT B 11 -4.585 -4.698 14.347 1.00 0.00 H new ATOM 0 H1' DT B 11 -4.913 -3.697 16.344 1.00 0.00 H new ATOM 0 H3 DT B 11 -1.559 -1.471 17.998 1.00 0.00 H new ATOM 0 H71 DT B 11 1.380 -5.060 17.034 1.00 0.00 H new ATOM 0 H72 DT B 11 0.567 -6.044 18.274 1.00 0.00 H new ATOM 0 H73 DT B 11 0.270 -6.364 16.549 1.00 0.00 H new ATOM 0 H6 DT B 11 -2.087 -6.096 16.733 1.00 0.00 H new ATOM 355 P DT B 12 -6.716 -6.268 12.992 1.00 0.00 P ATOM 356 OP1 DT B 12 -8.093 -6.723 12.706 1.00 0.00 O ATOM 357 OP2 DT B 12 -5.557 -7.003 12.439 1.00 0.00 O ATOM 358 O5' DT B 12 -6.589 -4.733 12.541 1.00 0.00 O ATOM 359 C5' DT B 12 -7.498 -3.753 13.019 1.00 0.00 C ATOM 360 C4' DT B 12 -7.203 -2.371 12.424 1.00 0.00 C ATOM 361 O4' DT B 12 -5.853 -2.030 12.719 1.00 0.00 O ATOM 362 C3' DT B 12 -7.392 -2.317 10.899 1.00 0.00 C ATOM 363 O3' DT B 12 -7.956 -1.060 10.530 1.00 0.00 O ATOM 364 C2' DT B 12 -5.952 -2.445 10.424 1.00 0.00 C ATOM 365 C1' DT B 12 -5.228 -1.651 11.511 1.00 0.00 C ATOM 366 N1 DT B 12 -3.756 -1.882 11.556 1.00 0.00 N ATOM 367 C2 DT B 12 -2.933 -0.754 11.454 1.00 0.00 C ATOM 368 O2 DT B 12 -3.346 0.395 11.347 1.00 0.00 O ATOM 369 N3 DT B 12 -1.574 -0.957 11.532 1.00 0.00 N ATOM 370 C4 DT B 12 -0.964 -2.156 11.815 1.00 0.00 C ATOM 371 O4 DT B 12 0.243 -2.164 12.028 1.00 0.00 O ATOM 372 C5 DT B 12 -1.866 -3.302 11.881 1.00 0.00 C ATOM 373 C7 DT B 12 -1.268 -4.667 12.156 1.00 0.00 C ATOM 374 C6 DT B 12 -3.214 -3.143 11.753 1.00 0.00 C ATOM 0 H5' DT B 12 -7.440 -3.702 14.106 1.00 0.00 H new ATOM 0 H5'' DT B 12 -8.517 -4.048 12.768 1.00 0.00 H new ATOM 0 H4' DT B 12 -7.911 -1.671 12.867 1.00 0.00 H new ATOM 0 H3' DT B 12 -8.059 -3.072 10.482 1.00 0.00 H new ATOM 0 H2' DT B 12 -5.621 -3.483 10.379 1.00 0.00 H new ATOM 0 H2'' DT B 12 -5.804 -2.020 9.432 1.00 0.00 H new ATOM 0 H1' DT B 12 -5.309 -0.582 11.313 1.00 0.00 H new ATOM 0 H3 DT B 12 -0.970 -0.152 11.366 1.00 0.00 H new ATOM 0 H71 DT B 12 -1.995 -5.283 12.686 1.00 0.00 H new ATOM 0 H72 DT B 12 -1.006 -5.146 11.213 1.00 0.00 H new ATOM 0 H73 DT B 12 -0.373 -4.555 12.767 1.00 0.00 H new ATOM 0 H6 DT B 12 -3.864 -4.004 11.805 1.00 0.00 H new ATOM 387 P DG B 13 -8.712 -0.829 9.114 1.00 0.00 P ATOM 388 OP1 DG B 13 -10.165 -0.755 9.374 1.00 0.00 O ATOM 389 OP2 DG B 13 -8.182 -1.803 8.138 1.00 0.00 O ATOM 390 O5' DG B 13 -8.202 0.630 8.648 1.00 0.00 O ATOM 391 C5' DG B 13 -8.658 1.816 9.278 1.00 0.00 C ATOM 392 C4' DG B 13 -7.720 3.012 9.034 1.00 0.00 C ATOM 393 O4' DG B 13 -6.422 2.656 9.498 1.00 0.00 O ATOM 394 C3' DG B 13 -7.584 3.505 7.582 1.00 0.00 C ATOM 395 O3' DG B 13 -7.406 4.918 7.580 1.00 0.00 O ATOM 396 C2' DG B 13 -6.360 2.753 7.135 1.00 0.00 C ATOM 397 C1' DG B 13 -5.525 2.635 8.401 1.00 0.00 C ATOM 398 N9 DG B 13 -4.717 1.400 8.339 1.00 0.00 N ATOM 399 C8 DG B 13 -5.091 0.120 8.002 1.00 0.00 C ATOM 400 N7 DG B 13 -4.102 -0.725 7.919 1.00 0.00 N ATOM 401 C5 DG B 13 -2.988 0.050 8.231 1.00 0.00 C ATOM 402 C6 DG B 13 -1.606 -0.301 8.367 1.00 0.00 C ATOM 403 O6 DG B 13 -1.063 -1.397 8.246 1.00 0.00 O ATOM 404 N1 DG B 13 -0.814 0.767 8.735 1.00 0.00 N ATOM 405 C2 DG B 13 -1.270 2.037 8.922 1.00 0.00 C ATOM 406 N2 DG B 13 -0.398 2.959 9.249 1.00 0.00 N ATOM 407 N3 DG B 13 -2.537 2.407 8.773 1.00 0.00 N ATOM 408 C4 DG B 13 -3.354 1.358 8.460 1.00 0.00 C ATOM 0 H5' DG B 13 -8.748 1.642 10.350 1.00 0.00 H new ATOM 0 H5'' DG B 13 -9.655 2.059 8.909 1.00 0.00 H new ATOM 0 H4' DG B 13 -8.179 3.841 9.572 1.00 0.00 H new ATOM 0 H3' DG B 13 -8.441 3.331 6.932 1.00 0.00 H new ATOM 0 H2' DG B 13 -6.617 1.773 6.732 1.00 0.00 H new ATOM 0 H2'' DG B 13 -5.825 3.289 6.351 1.00 0.00 H new ATOM 0 H1' DG B 13 -4.821 3.460 8.512 1.00 0.00 H new ATOM 0 H8 DG B 13 -6.118 -0.161 7.821 1.00 0.00 H new ATOM 0 H1 DG B 13 0.181 0.594 8.877 1.00 0.00 H new ATOM 0 H21 DG B 13 -0.704 3.921 9.397 1.00 0.00 H new ATOM 0 H22 DG B 13 0.587 2.715 9.356 1.00 0.00 H new ATOM 420 P DT B 14 -7.150 5.787 6.234 1.00 0.00 P ATOM 421 OP1 DT B 14 -7.889 7.061 6.365 1.00 0.00 O ATOM 422 OP2 DT B 14 -7.375 4.920 5.057 1.00 0.00 O ATOM 423 O5' DT B 14 -5.568 6.111 6.320 1.00 0.00 O ATOM 424 C5' DT B 14 -5.061 6.956 7.346 1.00 0.00 C ATOM 425 C4' DT B 14 -3.555 7.241 7.234 1.00 0.00 C ATOM 426 O4' DT B 14 -2.823 6.028 7.355 1.00 0.00 O ATOM 427 C3' DT B 14 -3.128 7.928 5.929 1.00 0.00 C ATOM 428 O3' DT B 14 -2.144 8.911 6.226 1.00 0.00 O ATOM 429 C2' DT B 14 -2.570 6.767 5.127 1.00 0.00 C ATOM 430 C1' DT B 14 -1.981 5.880 6.225 1.00 0.00 C ATOM 431 N1 DT B 14 -1.910 4.442 5.853 1.00 0.00 N ATOM 432 C2 DT B 14 -0.694 3.772 6.026 1.00 0.00 C ATOM 433 O2 DT B 14 0.337 4.314 6.409 1.00 0.00 O ATOM 434 N3 DT B 14 -0.685 2.425 5.735 1.00 0.00 N ATOM 435 C4 DT B 14 -1.760 1.697 5.267 1.00 0.00 C ATOM 436 O4 DT B 14 -1.600 0.500 5.045 1.00 0.00 O ATOM 437 C5 DT B 14 -2.996 2.458 5.091 1.00 0.00 C ATOM 438 C7 DT B 14 -4.259 1.775 4.584 1.00 0.00 C ATOM 439 C6 DT B 14 -3.029 3.783 5.388 1.00 0.00 C ATOM 0 H5' DT B 14 -5.262 6.496 8.314 1.00 0.00 H new ATOM 0 H5'' DT B 14 -5.602 7.902 7.324 1.00 0.00 H new ATOM 0 H4' DT B 14 -3.336 7.934 8.046 1.00 0.00 H new ATOM 0 H3' DT B 14 -3.918 8.455 5.393 1.00 0.00 H new ATOM 0 H2' DT B 14 -3.345 6.253 4.559 1.00 0.00 H new ATOM 0 H2'' DT B 14 -1.813 7.090 4.413 1.00 0.00 H new ATOM 0 H1' DT B 14 -0.954 6.192 6.413 1.00 0.00 H new ATOM 0 H3 DT B 14 0.191 1.923 5.878 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.987 0.947 3.929 1.00 0.00 H new ATOM 0 H72 DT B 14 -4.832 1.395 5.430 1.00 0.00 H new ATOM 0 H73 DT B 14 -4.863 2.493 4.030 1.00 0.00 H new ATOM 0 H6 DT B 14 -3.950 4.332 5.257 1.00 0.00 H new ATOM 452 P DA B 15 -1.493 9.859 5.088 1.00 0.00 P ATOM 453 OP1 DA B 15 -1.093 11.133 5.723 1.00 0.00 O ATOM 454 OP2 DA B 15 -2.394 9.866 3.915 1.00 0.00 O ATOM 455 O5' DA B 15 -0.157 9.045 4.693 1.00 0.00 O ATOM 456 C5' DA B 15 0.948 8.986 5.584 1.00 0.00 C ATOM 457 C4' DA B 15 2.134 8.209 5.000 1.00 0.00 C ATOM 458 O4' DA B 15 1.826 6.821 4.927 1.00 0.00 O ATOM 459 C3' DA B 15 2.540 8.680 3.598 1.00 0.00 C ATOM 460 O3' DA B 15 3.939 8.931 3.579 1.00 0.00 O ATOM 461 C2' DA B 15 2.152 7.486 2.740 1.00 0.00 C ATOM 462 C1' DA B 15 2.322 6.314 3.704 1.00 0.00 C ATOM 463 N9 DA B 15 1.558 5.104 3.313 1.00 0.00 N ATOM 464 C8 DA B 15 0.242 5.011 2.929 1.00 0.00 C ATOM 465 N7 DA B 15 -0.170 3.797 2.685 1.00 0.00 N ATOM 466 C5 DA B 15 0.972 3.022 2.922 1.00 0.00 C ATOM 467 C6 DA B 15 1.256 1.637 2.866 1.00 0.00 C ATOM 468 N6 DA B 15 0.356 0.705 2.593 1.00 0.00 N ATOM 469 N1 DA B 15 2.491 1.184 3.110 1.00 0.00 N ATOM 470 C2 DA B 15 3.428 2.069 3.435 1.00 0.00 C ATOM 471 N3 DA B 15 3.305 3.390 3.544 1.00 0.00 N ATOM 472 C4 DA B 15 2.036 3.810 3.281 1.00 0.00 C ATOM 0 H5' DA B 15 0.634 8.516 6.516 1.00 0.00 H new ATOM 0 H5'' DA B 15 1.267 9.999 5.829 1.00 0.00 H new ATOM 0 H4' DA B 15 2.970 8.395 5.674 1.00 0.00 H new ATOM 0 H3' DA B 15 2.072 9.604 3.259 1.00 0.00 H new ATOM 0 H2' DA B 15 1.128 7.565 2.375 1.00 0.00 H new ATOM 0 H2'' DA B 15 2.796 7.389 1.866 1.00 0.00 H new ATOM 0 H1' DA B 15 3.360 5.984 3.736 1.00 0.00 H new ATOM 0 H8 DA B 15 -0.400 5.874 2.836 1.00 0.00 H new ATOM 0 H61 DA B 15 0.630 -0.277 2.569 1.00 0.00 H new ATOM 0 H62 DA B 15 -0.611 0.969 2.407 1.00 0.00 H new ATOM 0 H2 DA B 15 4.410 1.667 3.635 1.00 0.00 H new ATOM 484 P DC B 16 4.679 9.590 2.303 1.00 0.00 P ATOM 485 OP1 DC B 16 5.822 10.399 2.777 1.00 0.00 O ATOM 486 OP2 DC B 16 3.664 10.184 1.407 1.00 0.00 O ATOM 487 O5' DC B 16 5.263 8.281 1.582 1.00 0.00 O ATOM 488 C5' DC B 16 6.392 7.608 2.109 1.00 0.00 C ATOM 489 C4' DC B 16 6.719 6.359 1.290 1.00 0.00 C ATOM 490 O4' DC B 16 5.827 5.307 1.594 1.00 0.00 O ATOM 491 C3' DC B 16 6.622 6.555 -0.224 1.00 0.00 C ATOM 492 O3' DC B 16 7.797 7.124 -0.770 1.00 0.00 O ATOM 493 C2' DC B 16 6.430 5.120 -0.699 1.00 0.00 C ATOM 494 C1' DC B 16 5.828 4.395 0.513 1.00 0.00 C ATOM 495 N1 DC B 16 4.435 3.948 0.256 1.00 0.00 N ATOM 496 C2 DC B 16 4.178 2.581 0.126 1.00 0.00 C ATOM 497 O2 DC B 16 5.072 1.743 0.233 1.00 0.00 O ATOM 498 N3 DC B 16 2.924 2.151 -0.147 1.00 0.00 N ATOM 499 C4 DC B 16 1.950 3.033 -0.280 1.00 0.00 C ATOM 500 N4 DC B 16 0.754 2.537 -0.475 1.00 0.00 N ATOM 501 C5 DC B 16 2.161 4.442 -0.187 1.00 0.00 C ATOM 502 C6 DC B 16 3.425 4.862 0.085 1.00 0.00 C ATOM 0 H5' DC B 16 6.202 7.328 3.145 1.00 0.00 H new ATOM 0 H5'' DC B 16 7.251 8.279 2.113 1.00 0.00 H new ATOM 0 H4' DC B 16 7.750 6.132 1.561 1.00 0.00 H new ATOM 0 H3' DC B 16 5.832 7.243 -0.525 1.00 0.00 H new ATOM 0 H2' DC B 16 5.765 5.072 -1.561 1.00 0.00 H new ATOM 0 H2'' DC B 16 7.376 4.671 -1.001 1.00 0.00 H new ATOM 0 HO3' DC B 16 7.690 7.229 -1.738 1.00 0.00 H new ATOM 0 H1' DC B 16 6.422 3.507 0.729 1.00 0.00 H new ATOM 0 H41 DC B 16 -0.045 3.161 -0.586 1.00 0.00 H new ATOM 0 H42 DC B 16 0.621 1.526 -0.516 1.00 0.00 H new ATOM 0 H5 DC B 16 1.352 5.143 -0.327 1.00 0.00 H new ATOM 0 H6 DC B 16 3.635 5.918 0.167 1.00 0.00 H new TER 515 DC B 16