USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= -1.61 (180deg=-1.61) USER MOD Single : A 7 DT C7 :methyl -30:sc= 0 (180deg=-0.197) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.326 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.195 3.363 -12.599 1.00 0.00 O ATOM 2 C5' DG A 1 33.090 3.828 -13.379 1.00 0.00 C ATOM 3 C4' DG A 1 31.949 2.810 -13.405 1.00 0.00 C ATOM 4 O4' DG A 1 32.386 1.604 -14.054 1.00 0.00 O ATOM 5 C3' DG A 1 31.423 2.415 -12.023 1.00 0.00 C ATOM 6 O3' DG A 1 29.997 2.254 -12.091 1.00 0.00 O ATOM 7 C2' DG A 1 32.104 1.080 -11.762 1.00 0.00 C ATOM 8 C1' DG A 1 32.214 0.500 -13.160 1.00 0.00 C ATOM 9 N9 DG A 1 33.350 -0.421 -13.348 1.00 0.00 N ATOM 10 C8 DG A 1 34.671 -0.239 -13.029 1.00 0.00 C ATOM 11 N7 DG A 1 35.431 -1.254 -13.327 1.00 0.00 N ATOM 12 C5 DG A 1 34.552 -2.177 -13.888 1.00 0.00 C ATOM 13 C6 DG A 1 34.800 -3.478 -14.404 1.00 0.00 C ATOM 14 O6 DG A 1 35.867 -4.084 -14.465 1.00 0.00 O ATOM 15 N1 DG A 1 33.636 -4.069 -14.874 1.00 0.00 N ATOM 16 C2 DG A 1 32.389 -3.485 -14.849 1.00 0.00 C ATOM 17 N2 DG A 1 31.385 -4.202 -15.342 1.00 0.00 N ATOM 18 N3 DG A 1 32.153 -2.267 -14.364 1.00 0.00 N ATOM 19 C4 DG A 1 33.277 -1.674 -13.903 1.00 0.00 C ATOM 0 H5' DG A 1 33.422 4.029 -14.398 1.00 0.00 H new ATOM 0 H5'' DG A 1 32.727 4.771 -12.970 1.00 0.00 H new ATOM 0 H4' DG A 1 31.139 3.304 -13.942 1.00 0.00 H new ATOM 0 H3' DG A 1 31.625 3.148 -11.242 1.00 0.00 H new ATOM 0 H2' DG A 1 33.081 1.205 -11.295 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.514 0.444 -11.102 1.00 0.00 H new ATOM 0 HO5' DG A 1 34.906 4.037 -12.605 1.00 0.00 H new ATOM 0 H1' DG A 1 31.312 -0.083 -13.346 1.00 0.00 H new ATOM 0 H8 DG A 1 35.047 0.664 -12.572 1.00 0.00 H new ATOM 0 H1 DG A 1 33.709 -5.007 -15.268 1.00 0.00 H new ATOM 0 H21 DG A 1 30.440 -3.819 -15.349 1.00 0.00 H new ATOM 0 H22 DG A 1 31.560 -5.136 -15.714 1.00 0.00 H new ATOM 32 P DT A 2 29.159 1.572 -10.892 1.00 0.00 P ATOM 33 OP1 DT A 2 27.834 2.228 -10.820 1.00 0.00 O ATOM 34 OP2 DT A 2 30.017 1.512 -9.686 1.00 0.00 O ATOM 35 O5' DT A 2 28.944 0.067 -11.430 1.00 0.00 O ATOM 36 C5' DT A 2 28.124 -0.174 -12.580 1.00 0.00 C ATOM 37 C4' DT A 2 27.657 -1.625 -12.657 1.00 0.00 C ATOM 38 O4' DT A 2 28.753 -2.483 -13.013 1.00 0.00 O ATOM 39 C3' DT A 2 27.060 -2.156 -11.356 1.00 0.00 C ATOM 40 O3' DT A 2 25.900 -2.947 -11.658 1.00 0.00 O ATOM 41 C2' DT A 2 28.170 -3.024 -10.777 1.00 0.00 C ATOM 42 C1' DT A 2 28.906 -3.499 -12.019 1.00 0.00 C ATOM 43 N1 DT A 2 30.354 -3.730 -11.827 1.00 0.00 N ATOM 44 C2 DT A 2 30.877 -4.919 -12.304 1.00 0.00 C ATOM 45 O2 DT A 2 30.175 -5.769 -12.848 1.00 0.00 O ATOM 46 N3 DT A 2 32.236 -5.104 -12.118 1.00 0.00 N ATOM 47 C4 DT A 2 33.102 -4.214 -11.503 1.00 0.00 C ATOM 48 O4 DT A 2 34.296 -4.477 -11.383 1.00 0.00 O ATOM 49 C5 DT A 2 32.466 -3.003 -11.037 1.00 0.00 C ATOM 50 C7 DT A 2 33.307 -1.944 -10.329 1.00 0.00 C ATOM 51 C6 DT A 2 31.146 -2.798 -11.209 1.00 0.00 C ATOM 0 H5' DT A 2 28.683 0.075 -13.482 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.256 0.485 -12.551 1.00 0.00 H new ATOM 0 H4' DT A 2 26.873 -1.632 -13.414 1.00 0.00 H new ATOM 0 H3' DT A 2 26.744 -1.374 -10.665 1.00 0.00 H new ATOM 0 H2' DT A 2 28.822 -2.457 -10.112 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.772 -3.858 -10.199 1.00 0.00 H new ATOM 0 H1' DT A 2 28.476 -4.461 -12.298 1.00 0.00 H new ATOM 0 H3 DT A 2 32.637 -5.975 -12.465 1.00 0.00 H new ATOM 0 H71 DT A 2 32.881 -0.958 -10.514 1.00 0.00 H new ATOM 0 H72 DT A 2 33.313 -2.141 -9.257 1.00 0.00 H new ATOM 0 H73 DT A 2 34.328 -1.976 -10.710 1.00 0.00 H new ATOM 0 H6 DT A 2 30.703 -1.880 -10.852 1.00 0.00 H new ATOM 64 P DC A 3 25.194 -3.873 -10.543 1.00 0.00 P ATOM 65 OP1 DC A 3 23.739 -3.881 -10.803 1.00 0.00 O ATOM 66 OP2 DC A 3 25.703 -3.477 -9.208 1.00 0.00 O ATOM 67 O5' DC A 3 25.772 -5.333 -10.894 1.00 0.00 O ATOM 68 C5' DC A 3 25.393 -5.990 -12.110 1.00 0.00 C ATOM 69 C4' DC A 3 25.622 -7.495 -12.027 1.00 0.00 C ATOM 70 O4' DC A 3 27.028 -7.764 -11.992 1.00 0.00 O ATOM 71 C3' DC A 3 24.995 -8.142 -10.796 1.00 0.00 C ATOM 72 O3' DC A 3 24.454 -9.423 -11.148 1.00 0.00 O ATOM 73 C2' DC A 3 26.162 -8.309 -9.834 1.00 0.00 C ATOM 74 C1' DC A 3 27.374 -8.397 -10.755 1.00 0.00 C ATOM 75 N1 DC A 3 28.583 -7.717 -10.238 1.00 0.00 N ATOM 76 C2 DC A 3 29.734 -8.476 -10.086 1.00 0.00 C ATOM 77 O2 DC A 3 29.728 -9.675 -10.355 1.00 0.00 O ATOM 78 N3 DC A 3 30.858 -7.860 -9.634 1.00 0.00 N ATOM 79 C4 DC A 3 30.863 -6.558 -9.339 1.00 0.00 C ATOM 80 N4 DC A 3 31.989 -5.995 -8.903 1.00 0.00 N ATOM 81 C5 DC A 3 29.683 -5.768 -9.489 1.00 0.00 C ATOM 82 C6 DC A 3 28.570 -6.382 -9.940 1.00 0.00 C ATOM 0 H5' DC A 3 25.967 -5.579 -12.941 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.342 -5.792 -12.319 1.00 0.00 H new ATOM 0 H4' DC A 3 25.144 -7.921 -12.909 1.00 0.00 H new ATOM 0 H3' DC A 3 24.182 -7.555 -10.369 1.00 0.00 H new ATOM 0 H2' DC A 3 26.240 -7.466 -9.148 1.00 0.00 H new ATOM 0 H2'' DC A 3 26.055 -9.207 -9.225 1.00 0.00 H new ATOM 0 H1' DC A 3 27.616 -9.455 -10.854 1.00 0.00 H new ATOM 0 H41 DC A 3 32.007 -5.001 -8.674 1.00 0.00 H new ATOM 0 H42 DC A 3 32.833 -6.558 -8.798 1.00 0.00 H new ATOM 0 H5 DC A 3 29.682 -4.715 -9.250 1.00 0.00 H new ATOM 0 H6 DC A 3 27.660 -5.814 -10.067 1.00 0.00 H new ATOM 94 P DG A 4 23.338 -10.138 -10.224 1.00 0.00 P ATOM 95 OP1 DG A 4 22.198 -10.519 -11.088 1.00 0.00 O ATOM 96 OP2 DG A 4 23.111 -9.290 -9.032 1.00 0.00 O ATOM 97 O5' DG A 4 24.088 -11.483 -9.750 1.00 0.00 O ATOM 98 C5' DG A 4 24.374 -12.520 -10.694 1.00 0.00 C ATOM 99 C4' DG A 4 25.462 -13.471 -10.196 1.00 0.00 C ATOM 100 O4' DG A 4 26.642 -12.727 -9.846 1.00 0.00 O ATOM 101 C3' DG A 4 25.079 -14.306 -8.972 1.00 0.00 C ATOM 102 O3' DG A 4 25.657 -15.615 -9.114 1.00 0.00 O ATOM 103 C2' DG A 4 25.733 -13.554 -7.823 1.00 0.00 C ATOM 104 C1' DG A 4 26.984 -13.010 -8.484 1.00 0.00 C ATOM 105 N9 DG A 4 27.521 -11.778 -7.875 1.00 0.00 N ATOM 106 C8 DG A 4 26.858 -10.662 -7.433 1.00 0.00 C ATOM 107 N7 DG A 4 27.647 -9.734 -6.956 1.00 0.00 N ATOM 108 C5 DG A 4 28.922 -10.281 -7.092 1.00 0.00 C ATOM 109 C6 DG A 4 30.192 -9.743 -6.746 1.00 0.00 C ATOM 110 O6 DG A 4 30.447 -8.651 -6.240 1.00 0.00 O ATOM 111 N1 DG A 4 31.218 -10.626 -7.051 1.00 0.00 N ATOM 112 C2 DG A 4 31.046 -11.871 -7.615 1.00 0.00 C ATOM 113 N2 DG A 4 32.145 -12.583 -7.830 1.00 0.00 N ATOM 114 N3 DG A 4 29.858 -12.374 -7.941 1.00 0.00 N ATOM 115 C4 DG A 4 28.847 -11.530 -7.652 1.00 0.00 C ATOM 0 H5' DG A 4 24.688 -12.073 -11.637 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.464 -13.086 -10.896 1.00 0.00 H new ATOM 0 H4' DG A 4 25.626 -14.158 -11.026 1.00 0.00 H new ATOM 0 H3' DG A 4 24.006 -14.435 -8.830 1.00 0.00 H new ATOM 0 H2' DG A 4 25.095 -12.759 -7.438 1.00 0.00 H new ATOM 0 H2'' DG A 4 25.966 -14.210 -6.984 1.00 0.00 H new ATOM 0 H1' DG A 4 27.765 -13.762 -8.370 1.00 0.00 H new ATOM 0 H8 DG A 4 25.784 -10.559 -7.475 1.00 0.00 H new ATOM 0 H1 DG A 4 32.172 -10.331 -6.842 1.00 0.00 H new ATOM 0 H21 DG A 4 32.078 -13.512 -8.245 1.00 0.00 H new ATOM 0 H22 DG A 4 33.057 -12.201 -7.580 1.00 0.00 H new ATOM 127 P DG A 5 25.564 -16.733 -7.951 1.00 0.00 P ATOM 128 OP1 DG A 5 25.043 -17.982 -8.554 1.00 0.00 O ATOM 129 OP2 DG A 5 24.881 -16.143 -6.779 1.00 0.00 O ATOM 130 O5' DG A 5 27.117 -16.968 -7.572 1.00 0.00 O ATOM 131 C5' DG A 5 28.042 -17.440 -8.563 1.00 0.00 C ATOM 132 C4' DG A 5 29.459 -17.603 -8.006 1.00 0.00 C ATOM 133 O4' DG A 5 29.948 -16.336 -7.537 1.00 0.00 O ATOM 134 C3' DG A 5 29.569 -18.592 -6.847 1.00 0.00 C ATOM 135 O3' DG A 5 30.788 -19.341 -6.970 1.00 0.00 O ATOM 136 C2' DG A 5 29.630 -17.700 -5.620 1.00 0.00 C ATOM 137 C1' DG A 5 30.302 -16.444 -6.154 1.00 0.00 C ATOM 138 N9 DG A 5 29.872 -15.204 -5.483 1.00 0.00 N ATOM 139 C8 DG A 5 28.598 -14.774 -5.223 1.00 0.00 C ATOM 140 N7 DG A 5 28.541 -13.624 -4.616 1.00 0.00 N ATOM 141 C5 DG A 5 29.875 -13.262 -4.460 1.00 0.00 C ATOM 142 C6 DG A 5 30.438 -12.105 -3.863 1.00 0.00 C ATOM 143 O6 DG A 5 29.853 -11.144 -3.362 1.00 0.00 O ATOM 144 N1 DG A 5 31.825 -12.133 -3.909 1.00 0.00 N ATOM 145 C2 DG A 5 32.578 -13.144 -4.463 1.00 0.00 C ATOM 146 N2 DG A 5 33.897 -12.991 -4.416 1.00 0.00 N ATOM 147 N3 DG A 5 32.052 -14.232 -5.026 1.00 0.00 N ATOM 148 C4 DG A 5 30.698 -14.225 -4.988 1.00 0.00 C ATOM 0 H5' DG A 5 28.061 -16.742 -9.400 1.00 0.00 H new ATOM 0 H5'' DG A 5 27.695 -18.397 -8.954 1.00 0.00 H new ATOM 0 H4' DG A 5 30.049 -17.995 -8.835 1.00 0.00 H new ATOM 0 H3' DG A 5 28.748 -19.308 -6.811 1.00 0.00 H new ATOM 0 H2' DG A 5 28.637 -17.490 -5.222 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.206 -18.157 -4.815 1.00 0.00 H new ATOM 0 H1' DG A 5 31.373 -16.543 -5.979 1.00 0.00 H new ATOM 0 H8 DG A 5 27.719 -15.339 -5.497 1.00 0.00 H new ATOM 0 H1 DG A 5 32.325 -11.343 -3.501 1.00 0.00 H new ATOM 0 H21 DG A 5 34.508 -13.707 -4.810 1.00 0.00 H new ATOM 0 H22 DG A 5 34.299 -12.158 -3.986 1.00 0.00 H new ATOM 160 P DC A 6 31.199 -20.442 -5.865 1.00 0.00 P ATOM 161 OP1 DC A 6 31.967 -21.509 -6.544 1.00 0.00 O ATOM 162 OP2 DC A 6 29.994 -20.791 -5.079 1.00 0.00 O ATOM 163 O5' DC A 6 32.212 -19.633 -4.903 1.00 0.00 O ATOM 164 C5' DC A 6 33.570 -19.415 -5.304 1.00 0.00 C ATOM 165 C4' DC A 6 34.461 -18.997 -4.131 1.00 0.00 C ATOM 166 O4' DC A 6 34.057 -17.707 -3.654 1.00 0.00 O ATOM 167 C3' DC A 6 34.434 -19.962 -2.944 1.00 0.00 C ATOM 168 O3' DC A 6 35.765 -20.126 -2.429 1.00 0.00 O ATOM 169 C2' DC A 6 33.551 -19.260 -1.922 1.00 0.00 C ATOM 170 C1' DC A 6 33.718 -17.789 -2.266 1.00 0.00 C ATOM 171 N1 DC A 6 32.497 -16.986 -2.055 1.00 0.00 N ATOM 172 C2 DC A 6 32.610 -15.823 -1.306 1.00 0.00 C ATOM 173 O2 DC A 6 33.695 -15.488 -0.836 1.00 0.00 O ATOM 174 N3 DC A 6 31.491 -15.076 -1.110 1.00 0.00 N ATOM 175 C4 DC A 6 30.313 -15.450 -1.623 1.00 0.00 C ATOM 176 N4 DC A 6 29.241 -14.691 -1.414 1.00 0.00 N ATOM 177 C5 DC A 6 30.191 -16.646 -2.391 1.00 0.00 C ATOM 178 C6 DC A 6 31.301 -17.380 -2.584 1.00 0.00 C ATOM 0 H5' DC A 6 33.600 -18.644 -6.073 1.00 0.00 H new ATOM 0 H5'' DC A 6 33.966 -20.327 -5.751 1.00 0.00 H new ATOM 0 H4' DC A 6 35.477 -18.993 -4.526 1.00 0.00 H new ATOM 0 H3' DC A 6 34.064 -20.954 -3.202 1.00 0.00 H new ATOM 0 H2' DC A 6 32.511 -19.577 -2.004 1.00 0.00 H new ATOM 0 H2'' DC A 6 33.870 -19.473 -0.902 1.00 0.00 H new ATOM 0 H1' DC A 6 34.487 -17.386 -1.606 1.00 0.00 H new ATOM 0 H41 DC A 6 28.338 -14.966 -1.800 1.00 0.00 H new ATOM 0 H42 DC A 6 29.322 -13.834 -0.867 1.00 0.00 H new ATOM 0 H5 DC A 6 29.240 -16.951 -2.803 1.00 0.00 H new ATOM 0 H6 DC A 6 31.246 -18.290 -3.163 1.00 0.00 H new ATOM 190 P DT A 7 36.029 -20.729 -0.955 1.00 0.00 P ATOM 191 OP1 DT A 7 37.391 -21.311 -0.930 1.00 0.00 O ATOM 192 OP2 DT A 7 34.866 -21.560 -0.571 1.00 0.00 O ATOM 193 O5' DT A 7 36.034 -19.405 -0.039 1.00 0.00 O ATOM 194 C5' DT A 7 36.902 -18.316 -0.366 1.00 0.00 C ATOM 195 C4' DT A 7 37.115 -17.376 0.818 1.00 0.00 C ATOM 196 O4' DT A 7 35.955 -16.556 0.996 1.00 0.00 O ATOM 197 C3' DT A 7 37.381 -18.089 2.144 1.00 0.00 C ATOM 198 O3' DT A 7 38.360 -17.357 2.895 1.00 0.00 O ATOM 199 C2' DT A 7 36.038 -18.040 2.851 1.00 0.00 C ATOM 200 C1' DT A 7 35.426 -16.753 2.309 1.00 0.00 C ATOM 201 N1 DT A 7 33.955 -16.771 2.189 1.00 0.00 N ATOM 202 C2 DT A 7 33.270 -15.640 2.590 1.00 0.00 C ATOM 203 O2 DT A 7 33.845 -14.659 3.058 1.00 0.00 O ATOM 204 N3 DT A 7 31.896 -15.679 2.440 1.00 0.00 N ATOM 205 C4 DT A 7 31.161 -16.740 1.934 1.00 0.00 C ATOM 206 O4 DT A 7 29.935 -16.674 1.846 1.00 0.00 O ATOM 207 C5 DT A 7 31.963 -17.877 1.544 1.00 0.00 C ATOM 208 C7 DT A 7 31.279 -19.119 0.978 1.00 0.00 C ATOM 209 C6 DT A 7 33.304 -17.860 1.679 1.00 0.00 C ATOM 0 H5' DT A 7 36.482 -17.756 -1.202 1.00 0.00 H new ATOM 0 H5'' DT A 7 37.865 -18.707 -0.696 1.00 0.00 H new ATOM 0 H4' DT A 7 38.002 -16.793 0.571 1.00 0.00 H new ATOM 0 H3' DT A 7 37.759 -19.104 2.022 1.00 0.00 H new ATOM 0 H2' DT A 7 35.425 -18.910 2.618 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.151 -18.011 3.935 1.00 0.00 H new ATOM 0 H1' DT A 7 35.674 -15.963 3.018 1.00 0.00 H new ATOM 0 H3 DT A 7 31.375 -14.851 2.728 1.00 0.00 H new ATOM 0 H71 DT A 7 30.281 -19.212 1.407 1.00 0.00 H new ATOM 0 H72 DT A 7 31.201 -19.030 -0.106 1.00 0.00 H new ATOM 0 H73 DT A 7 31.865 -20.003 1.228 1.00 0.00 H new ATOM 0 H6 DT A 7 33.876 -18.725 1.378 1.00 0.00 H new ATOM 222 P DG A 8 39.019 -17.981 4.228 1.00 0.00 P ATOM 223 OP1 DG A 8 40.461 -17.649 4.232 1.00 0.00 O ATOM 224 OP2 DG A 8 38.589 -19.393 4.344 1.00 0.00 O ATOM 225 O5' DG A 8 38.307 -17.144 5.409 1.00 0.00 O ATOM 226 C5' DG A 8 38.744 -15.818 5.728 1.00 0.00 C ATOM 227 C4' DG A 8 38.043 -15.269 6.971 1.00 0.00 C ATOM 228 O4' DG A 8 36.642 -15.131 6.711 1.00 0.00 O ATOM 229 C3' DG A 8 38.192 -16.146 8.213 1.00 0.00 C ATOM 230 O3' DG A 8 38.346 -15.351 9.395 1.00 0.00 O ATOM 231 C2' DG A 8 36.895 -16.934 8.243 1.00 0.00 C ATOM 232 C1' DG A 8 35.903 -15.981 7.592 1.00 0.00 C ATOM 233 N9 DG A 8 34.865 -16.650 6.788 1.00 0.00 N ATOM 234 C8 DG A 8 34.939 -17.833 6.105 1.00 0.00 C ATOM 235 N7 DG A 8 33.840 -18.154 5.480 1.00 0.00 N ATOM 236 C5 DG A 8 32.974 -17.102 5.771 1.00 0.00 C ATOM 237 C6 DG A 8 31.626 -16.888 5.370 1.00 0.00 C ATOM 238 O6 DG A 8 30.913 -17.603 4.668 1.00 0.00 O ATOM 239 N1 DG A 8 31.126 -15.702 5.885 1.00 0.00 N ATOM 240 C2 DG A 8 31.829 -14.830 6.685 1.00 0.00 C ATOM 241 N2 DG A 8 31.183 -13.739 7.086 1.00 0.00 N ATOM 242 N3 DG A 8 33.091 -15.028 7.063 1.00 0.00 N ATOM 243 C4 DG A 8 33.597 -16.179 6.570 1.00 0.00 C ATOM 0 H5' DG A 8 38.551 -15.159 4.882 1.00 0.00 H new ATOM 0 H5'' DG A 8 39.822 -15.820 5.891 1.00 0.00 H new ATOM 0 H4' DG A 8 38.525 -14.314 7.178 1.00 0.00 H new ATOM 0 H3' DG A 8 39.075 -16.784 8.180 1.00 0.00 H new ATOM 0 H2' DG A 8 36.978 -17.870 7.691 1.00 0.00 H new ATOM 0 H2'' DG A 8 36.601 -17.190 9.261 1.00 0.00 H new ATOM 0 HO3' DG A 8 38.437 -15.938 10.174 1.00 0.00 H new ATOM 0 H1' DG A 8 35.394 -15.449 8.396 1.00 0.00 H new ATOM 0 H8 DG A 8 35.828 -18.446 6.085 1.00 0.00 H new ATOM 0 H1 DG A 8 30.163 -15.457 5.653 1.00 0.00 H new ATOM 0 H21 DG A 8 31.654 -13.057 7.681 1.00 0.00 H new ATOM 0 H22 DG A 8 30.217 -13.584 6.799 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 22.630 -14.059 6.075 1.00 0.00 O ATOM 258 C5' DC B 1 22.553 -13.386 7.335 1.00 0.00 C ATOM 259 C4' DC B 1 23.725 -12.424 7.533 1.00 0.00 C ATOM 260 O4' DC B 1 24.955 -13.161 7.557 1.00 0.00 O ATOM 261 C3' DC B 1 23.841 -11.357 6.446 1.00 0.00 C ATOM 262 O3' DC B 1 24.152 -10.090 7.044 1.00 0.00 O ATOM 263 C2' DC B 1 25.001 -11.825 5.580 1.00 0.00 C ATOM 264 C1' DC B 1 25.828 -12.690 6.524 1.00 0.00 C ATOM 265 N1 DC B 1 26.432 -13.874 5.877 1.00 0.00 N ATOM 266 C2 DC B 1 27.815 -14.009 5.924 1.00 0.00 C ATOM 267 O2 DC B 1 28.504 -13.159 6.482 1.00 0.00 O ATOM 268 N3 DC B 1 28.376 -15.101 5.336 1.00 0.00 N ATOM 269 C4 DC B 1 27.616 -16.022 4.730 1.00 0.00 C ATOM 270 N4 DC B 1 28.196 -17.080 4.166 1.00 0.00 N ATOM 271 C5 DC B 1 26.194 -15.886 4.679 1.00 0.00 C ATOM 272 C6 DC B 1 25.648 -14.802 5.263 1.00 0.00 C ATOM 0 H5' DC B 1 22.545 -14.121 8.140 1.00 0.00 H new ATOM 0 H5'' DC B 1 21.615 -12.835 7.397 1.00 0.00 H new ATOM 0 H4' DC B 1 23.533 -11.915 8.477 1.00 0.00 H new ATOM 0 H3' DC B 1 22.920 -11.231 5.876 1.00 0.00 H new ATOM 0 H2' DC B 1 24.653 -12.393 4.717 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.579 -10.984 5.196 1.00 0.00 H new ATOM 0 HO5' DC B 1 21.867 -14.667 5.982 1.00 0.00 H new ATOM 0 H1' DC B 1 26.646 -12.071 6.893 1.00 0.00 H new ATOM 0 H41 DC B 1 27.626 -17.787 3.702 1.00 0.00 H new ATOM 0 H42 DC B 1 29.210 -17.183 4.198 1.00 0.00 H new ATOM 0 H5 DC B 1 25.579 -16.626 4.189 1.00 0.00 H new ATOM 0 H6 DC B 1 24.577 -14.668 5.244 1.00 0.00 H new ATOM 285 P DA B 2 24.006 -8.720 6.202 1.00 0.00 P ATOM 286 OP1 DA B 2 23.415 -7.692 7.089 1.00 0.00 O ATOM 287 OP2 DA B 2 23.359 -9.037 4.907 1.00 0.00 O ATOM 288 O5' DA B 2 25.541 -8.318 5.911 1.00 0.00 O ATOM 289 C5' DA B 2 26.366 -7.806 6.965 1.00 0.00 C ATOM 290 C4' DA B 2 27.815 -7.605 6.524 1.00 0.00 C ATOM 291 O4' DA B 2 28.370 -8.852 6.091 1.00 0.00 O ATOM 292 C3' DA B 2 27.997 -6.599 5.389 1.00 0.00 C ATOM 293 O3' DA B 2 29.152 -5.786 5.663 1.00 0.00 O ATOM 294 C2' DA B 2 28.231 -7.468 4.164 1.00 0.00 C ATOM 295 C1' DA B 2 28.847 -8.725 4.749 1.00 0.00 C ATOM 296 N9 DA B 2 28.474 -9.948 4.030 1.00 0.00 N ATOM 297 C8 DA B 2 27.269 -10.277 3.477 1.00 0.00 C ATOM 298 N7 DA B 2 27.248 -11.458 2.918 1.00 0.00 N ATOM 299 C5 DA B 2 28.543 -11.937 3.116 1.00 0.00 C ATOM 300 C6 DA B 2 29.184 -13.135 2.760 1.00 0.00 C ATOM 301 N6 DA B 2 28.584 -14.124 2.099 1.00 0.00 N ATOM 302 N1 DA B 2 30.470 -13.272 3.115 1.00 0.00 N ATOM 303 C2 DA B 2 31.073 -12.292 3.771 1.00 0.00 C ATOM 304 N3 DA B 2 30.586 -11.129 4.162 1.00 0.00 N ATOM 305 C4 DA B 2 29.292 -11.018 3.793 1.00 0.00 C ATOM 0 H5' DA B 2 26.338 -8.493 7.811 1.00 0.00 H new ATOM 0 H5'' DA B 2 25.960 -6.856 7.312 1.00 0.00 H new ATOM 0 H4' DA B 2 28.326 -7.207 7.400 1.00 0.00 H new ATOM 0 H3' DA B 2 27.149 -5.926 5.260 1.00 0.00 H new ATOM 0 H2' DA B 2 27.301 -7.682 3.637 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.898 -6.987 3.449 1.00 0.00 H new ATOM 0 H1' DA B 2 29.930 -8.623 4.681 1.00 0.00 H new ATOM 0 H8 DA B 2 26.412 -9.621 3.500 1.00 0.00 H new ATOM 0 H61 DA B 2 29.103 -14.971 1.868 1.00 0.00 H new ATOM 0 H62 DA B 2 27.606 -14.034 1.824 1.00 0.00 H new ATOM 0 H2 DA B 2 32.109 -12.469 4.021 1.00 0.00 H new ATOM 317 P DG B 3 29.824 -4.843 4.535 1.00 0.00 P ATOM 318 OP1 DG B 3 30.378 -3.645 5.205 1.00 0.00 O ATOM 319 OP2 DG B 3 28.860 -4.682 3.422 1.00 0.00 O ATOM 320 O5' DG B 3 31.059 -5.743 4.006 1.00 0.00 O ATOM 321 C5' DG B 3 32.154 -6.056 4.880 1.00 0.00 C ATOM 322 C4' DG B 3 33.324 -6.717 4.143 1.00 0.00 C ATOM 323 O4' DG B 3 32.954 -8.027 3.688 1.00 0.00 O ATOM 324 C3' DG B 3 33.836 -5.941 2.939 1.00 0.00 C ATOM 325 O3' DG B 3 35.270 -6.016 2.905 1.00 0.00 O ATOM 326 C2' DG B 3 33.237 -6.683 1.760 1.00 0.00 C ATOM 327 C1' DG B 3 33.156 -8.107 2.274 1.00 0.00 C ATOM 328 N9 DG B 3 32.038 -8.875 1.710 1.00 0.00 N ATOM 329 C8 DG B 3 30.729 -8.503 1.599 1.00 0.00 C ATOM 330 N7 DG B 3 29.967 -9.404 1.048 1.00 0.00 N ATOM 331 C5 DG B 3 30.841 -10.454 0.772 1.00 0.00 C ATOM 332 C6 DG B 3 30.586 -11.715 0.170 1.00 0.00 C ATOM 333 O6 DG B 3 29.521 -12.157 -0.248 1.00 0.00 O ATOM 334 N1 DG B 3 31.742 -12.479 0.078 1.00 0.00 N ATOM 335 C2 DG B 3 32.987 -12.082 0.510 1.00 0.00 C ATOM 336 N2 DG B 3 33.978 -12.949 0.335 1.00 0.00 N ATOM 337 N3 DG B 3 33.229 -10.897 1.078 1.00 0.00 N ATOM 338 C4 DG B 3 32.112 -10.139 1.175 1.00 0.00 C ATOM 0 H5' DG B 3 31.805 -6.720 5.670 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.502 -5.143 5.362 1.00 0.00 H new ATOM 0 H4' DG B 3 34.127 -6.751 4.879 1.00 0.00 H new ATOM 0 H3' DG B 3 33.568 -4.884 2.949 1.00 0.00 H new ATOM 0 H2' DG B 3 32.256 -6.292 1.491 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.864 -6.607 0.872 1.00 0.00 H new ATOM 0 H1' DG B 3 34.075 -8.618 1.987 1.00 0.00 H new ATOM 0 H8 DG B 3 30.359 -7.547 1.938 1.00 0.00 H new ATOM 0 H1 DG B 3 31.662 -13.405 -0.342 1.00 0.00 H new ATOM 0 H21 DG B 3 34.923 -12.711 0.635 1.00 0.00 H new ATOM 0 H22 DG B 3 33.794 -13.853 -0.100 1.00 0.00 H new HETATM 350 P N4S B 4 36.120 -5.424 1.666 1.00 0.00 P HETATM 351 OP1 N4S B 4 37.341 -4.789 2.210 1.00 0.00 O HETATM 352 OP2 N4S B 4 35.208 -4.643 0.801 1.00 0.00 O HETATM 353 C5' N4S B 4 37.578 -7.619 1.379 1.00 0.00 C HETATM 354 O5' N4S B 4 36.558 -6.753 0.863 1.00 0.00 O HETATM 355 C4' N4S B 4 37.997 -8.678 0.356 1.00 0.00 C HETATM 356 O4' N4S B 4 36.848 -9.441 -0.043 1.00 0.00 O HETATM 357 C3' N4S B 4 38.617 -8.105 -0.919 1.00 0.00 C HETATM 358 O3' N4S B 4 39.624 -9.012 -1.403 1.00 0.00 O HETATM 359 C2' N4S B 4 37.438 -8.052 -1.875 1.00 0.00 C HETATM 360 C1' N4S B 4 36.630 -9.266 -1.448 1.00 0.00 C HETATM 361 N1 N4S B 4 35.178 -9.128 -1.663 1.00 0.00 N HETATM 362 C2 N4S B 4 34.520 -10.175 -2.287 1.00 0.00 C HETATM 363 O2 N4S B 4 35.136 -11.175 -2.648 1.00 0.00 O HETATM 364 N3 N4S B 4 33.186 -10.058 -2.491 1.00 0.00 N HETATM 365 C4 N4S B 4 32.514 -8.968 -2.104 1.00 0.00 C HETATM 366 N4 N4S B 4 31.209 -8.913 -2.330 1.00 0.00 N HETATM 367 C5 N4S B 4 33.189 -7.884 -1.458 1.00 0.00 C HETATM 368 C6 N4S B 4 34.514 -8.005 -1.258 1.00 0.00 C HETATM 369 CA N4S B 4 30.408 -7.725 -1.921 1.00 0.00 C HETATM 370 CB N4S B 4 29.168 -7.590 -2.816 1.00 0.00 C HETATM 371 CC N4S B 4 29.550 -6.894 -4.136 1.00 0.00 C HETATM 372 CE N4S B 4 27.329 -6.427 -4.987 1.00 0.00 C HETATM 373 CF N4S B 4 27.424 -5.055 -5.690 1.00 0.00 C HETATM 374 CG N4S B 4 26.260 -4.142 -5.248 1.00 0.00 C HETATM 375 CH N4S B 4 26.773 -2.717 -4.952 1.00 0.00 C HETATM 376 CJ N4S B 4 26.119 -0.392 -4.593 1.00 0.00 C HETATM 377 CK N4S B 4 25.288 0.626 -5.398 1.00 0.00 C HETATM 378 CL N4S B 4 25.495 2.046 -4.842 1.00 0.00 C HETATM 379 ND N4S B 4 28.567 -7.213 -5.196 1.00 0.00 N HETATM 380 NI N4S B 4 25.634 -1.772 -4.845 1.00 0.00 N HETATM 381 NM N4S B 4 24.841 3.036 -5.722 1.00 0.00 N ATOM 416 P DC B 5 40.154 -8.954 -2.927 1.00 0.00 P ATOM 417 OP1 DC B 5 41.480 -9.610 -2.982 1.00 0.00 O ATOM 418 OP2 DC B 5 39.999 -7.568 -3.425 1.00 0.00 O ATOM 419 O5' DC B 5 39.098 -9.896 -3.699 1.00 0.00 O ATOM 420 C5' DC B 5 39.097 -11.314 -3.489 1.00 0.00 C ATOM 421 C4' DC B 5 38.742 -12.072 -4.765 1.00 0.00 C ATOM 422 O4' DC B 5 37.340 -11.944 -5.032 1.00 0.00 O ATOM 423 C3' DC B 5 39.505 -11.601 -5.995 1.00 0.00 C ATOM 424 O3' DC B 5 39.951 -12.736 -6.747 1.00 0.00 O ATOM 425 C2' DC B 5 38.483 -10.812 -6.794 1.00 0.00 C ATOM 426 C1' DC B 5 37.144 -11.367 -6.324 1.00 0.00 C ATOM 427 N1 DC B 5 36.079 -10.349 -6.196 1.00 0.00 N ATOM 428 C2 DC B 5 34.889 -10.577 -6.868 1.00 0.00 C ATOM 429 O2 DC B 5 34.748 -11.588 -7.551 1.00 0.00 O ATOM 430 N3 DC B 5 33.895 -9.655 -6.751 1.00 0.00 N ATOM 431 C4 DC B 5 34.058 -8.555 -6.009 1.00 0.00 C ATOM 432 N4 DC B 5 33.063 -7.675 -5.920 1.00 0.00 N ATOM 433 C5 DC B 5 35.284 -8.313 -5.313 1.00 0.00 C ATOM 434 C6 DC B 5 36.263 -9.230 -5.433 1.00 0.00 C ATOM 0 H5' DC B 5 38.382 -11.566 -2.705 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.079 -11.631 -3.138 1.00 0.00 H new ATOM 0 H4' DC B 5 39.025 -13.109 -4.582 1.00 0.00 H new ATOM 0 H3' DC B 5 40.385 -11.008 -5.747 1.00 0.00 H new ATOM 0 H2' DC B 5 38.563 -9.742 -6.599 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.619 -10.952 -7.866 1.00 0.00 H new ATOM 0 H1' DC B 5 36.817 -12.083 -7.078 1.00 0.00 H new ATOM 0 H41 DC B 5 33.176 -6.832 -5.357 1.00 0.00 H new ATOM 0 H42 DC B 5 32.187 -7.844 -6.415 1.00 0.00 H new ATOM 0 H5 DC B 5 35.420 -7.426 -4.712 1.00 0.00 H new ATOM 0 H6 DC B 5 37.202 -9.080 -4.922 1.00 0.00 H new ATOM 446 P DG B 6 40.998 -12.565 -7.964 1.00 0.00 P ATOM 447 OP1 DG B 6 42.000 -13.650 -7.870 1.00 0.00 O ATOM 448 OP2 DG B 6 41.441 -11.153 -8.004 1.00 0.00 O ATOM 449 O5' DG B 6 40.076 -12.838 -9.257 1.00 0.00 O ATOM 450 C5' DG B 6 39.532 -14.141 -9.493 1.00 0.00 C ATOM 451 C4' DG B 6 38.460 -14.130 -10.583 1.00 0.00 C ATOM 452 O4' DG B 6 37.384 -13.250 -10.218 1.00 0.00 O ATOM 453 C3' DG B 6 38.957 -13.695 -11.956 1.00 0.00 C ATOM 454 O3' DG B 6 38.328 -14.508 -12.956 1.00 0.00 O ATOM 455 C2' DG B 6 38.482 -12.254 -12.068 1.00 0.00 C ATOM 456 C1' DG B 6 37.199 -12.281 -11.256 1.00 0.00 C ATOM 457 N9 DG B 6 36.837 -10.992 -10.631 1.00 0.00 N ATOM 458 C8 DG B 6 37.644 -10.060 -10.032 1.00 0.00 C ATOM 459 N7 DG B 6 37.003 -9.015 -9.586 1.00 0.00 N ATOM 460 C5 DG B 6 35.674 -9.274 -9.911 1.00 0.00 C ATOM 461 C6 DG B 6 34.507 -8.495 -9.680 1.00 0.00 C ATOM 462 O6 DG B 6 34.415 -7.397 -9.134 1.00 0.00 O ATOM 463 N1 DG B 6 33.372 -9.124 -10.167 1.00 0.00 N ATOM 464 C2 DG B 6 33.357 -10.347 -10.799 1.00 0.00 C ATOM 465 N2 DG B 6 32.168 -10.792 -11.198 1.00 0.00 N ATOM 466 N3 DG B 6 34.448 -11.077 -11.018 1.00 0.00 N ATOM 467 C4 DG B 6 35.567 -10.482 -10.550 1.00 0.00 C ATOM 0 H5' DG B 6 39.103 -14.527 -8.568 1.00 0.00 H new ATOM 0 H5'' DG B 6 40.334 -14.821 -9.781 1.00 0.00 H new ATOM 0 H4' DG B 6 38.135 -15.168 -10.660 1.00 0.00 H new ATOM 0 H3' DG B 6 40.035 -13.790 -12.086 1.00 0.00 H new ATOM 0 H2' DG B 6 39.209 -11.552 -11.660 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.304 -11.962 -13.103 1.00 0.00 H new ATOM 0 H1' DG B 6 36.385 -12.519 -11.941 1.00 0.00 H new ATOM 0 H8 DG B 6 38.713 -10.180 -9.938 1.00 0.00 H new ATOM 0 H1 DG B 6 32.480 -8.644 -10.048 1.00 0.00 H new ATOM 0 H21 DG B 6 32.093 -11.692 -11.672 1.00 0.00 H new ATOM 0 H22 DG B 6 31.332 -10.233 -11.030 1.00 0.00 H new ATOM 479 P DA B 7 38.666 -14.332 -14.520 1.00 0.00 P ATOM 480 OP1 DA B 7 38.951 -15.674 -15.082 1.00 0.00 O ATOM 481 OP2 DA B 7 39.660 -13.245 -14.667 1.00 0.00 O ATOM 482 O5' DA B 7 37.262 -13.823 -15.125 1.00 0.00 O ATOM 483 C5' DA B 7 36.143 -14.713 -15.207 1.00 0.00 C ATOM 484 C4' DA B 7 34.939 -14.061 -15.889 1.00 0.00 C ATOM 485 O4' DA B 7 34.450 -12.981 -15.086 1.00 0.00 O ATOM 486 C3' DA B 7 35.237 -13.508 -17.281 1.00 0.00 C ATOM 487 O3' DA B 7 34.151 -13.833 -18.162 1.00 0.00 O ATOM 488 C2' DA B 7 35.325 -12.004 -17.076 1.00 0.00 C ATOM 489 C1' DA B 7 34.471 -11.766 -15.842 1.00 0.00 C ATOM 490 N9 DA B 7 35.000 -10.713 -14.967 1.00 0.00 N ATOM 491 C8 DA B 7 36.269 -10.572 -14.481 1.00 0.00 C ATOM 492 N7 DA B 7 36.432 -9.518 -13.728 1.00 0.00 N ATOM 493 C5 DA B 7 35.172 -8.922 -13.720 1.00 0.00 C ATOM 494 C6 DA B 7 34.671 -7.764 -13.104 1.00 0.00 C ATOM 495 N6 DA B 7 35.412 -6.964 -12.341 1.00 0.00 N ATOM 496 N1 DA B 7 33.378 -7.468 -13.307 1.00 0.00 N ATOM 497 C2 DA B 7 32.641 -8.267 -14.069 1.00 0.00 C ATOM 498 N3 DA B 7 32.992 -9.376 -14.698 1.00 0.00 N ATOM 499 C4 DA B 7 34.295 -9.647 -14.474 1.00 0.00 C ATOM 0 H5' DA B 7 35.861 -15.034 -14.204 1.00 0.00 H new ATOM 0 H5'' DA B 7 36.431 -15.608 -15.759 1.00 0.00 H new ATOM 0 H4' DA B 7 34.201 -14.856 -15.999 1.00 0.00 H new ATOM 0 H3' DA B 7 36.147 -13.916 -17.721 1.00 0.00 H new ATOM 0 H2' DA B 7 36.354 -11.679 -16.921 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.945 -11.458 -17.939 1.00 0.00 H new ATOM 0 H1' DA B 7 33.484 -11.453 -16.182 1.00 0.00 H new ATOM 0 H8 DA B 7 37.065 -11.269 -14.700 1.00 0.00 H new ATOM 0 H61 DA B 7 34.996 -6.134 -11.917 1.00 0.00 H new ATOM 0 H62 DA B 7 36.396 -7.180 -12.180 1.00 0.00 H new ATOM 0 H2 DA B 7 31.610 -7.970 -14.193 1.00 0.00 H new ATOM 511 P DC B 8 34.080 -13.240 -19.662 1.00 0.00 P ATOM 512 OP1 DC B 8 33.406 -14.238 -20.524 1.00 0.00 O ATOM 513 OP2 DC B 8 35.424 -12.738 -20.029 1.00 0.00 O ATOM 514 O5' DC B 8 33.099 -11.969 -19.493 1.00 0.00 O ATOM 515 C5' DC B 8 31.736 -12.145 -19.087 1.00 0.00 C ATOM 516 C4' DC B 8 31.004 -10.806 -18.973 1.00 0.00 C ATOM 517 O4' DC B 8 31.625 -10.009 -17.953 1.00 0.00 O ATOM 518 C3' DC B 8 31.001 -9.983 -20.267 1.00 0.00 C ATOM 519 O3' DC B 8 29.690 -9.478 -20.557 1.00 0.00 O ATOM 520 C2' DC B 8 31.971 -8.849 -19.970 1.00 0.00 C ATOM 521 C1' DC B 8 31.840 -8.696 -18.466 1.00 0.00 C ATOM 522 N1 DC B 8 33.034 -8.136 -17.794 1.00 0.00 N ATOM 523 C2 DC B 8 32.851 -7.027 -16.983 1.00 0.00 C ATOM 524 O2 DC B 8 31.732 -6.538 -16.849 1.00 0.00 O ATOM 525 N3 DC B 8 33.932 -6.505 -16.347 1.00 0.00 N ATOM 526 C4 DC B 8 35.145 -7.047 -16.496 1.00 0.00 C ATOM 527 N4 DC B 8 36.179 -6.508 -15.853 1.00 0.00 N ATOM 528 C5 DC B 8 35.344 -8.190 -17.331 1.00 0.00 C ATOM 529 C6 DC B 8 34.267 -8.700 -17.958 1.00 0.00 C ATOM 0 H5' DC B 8 31.706 -12.660 -18.127 1.00 0.00 H new ATOM 0 H5'' DC B 8 31.221 -12.782 -19.806 1.00 0.00 H new ATOM 0 H4' DC B 8 29.969 -11.053 -18.736 1.00 0.00 H new ATOM 0 H3' DC B 8 31.288 -10.568 -21.141 1.00 0.00 H new ATOM 0 H2' DC B 8 32.990 -9.098 -20.266 1.00 0.00 H new ATOM 0 H2'' DC B 8 31.700 -7.934 -20.497 1.00 0.00 H new ATOM 0 HO3' DC B 8 29.717 -8.956 -21.386 1.00 0.00 H new ATOM 0 H1' DC B 8 31.029 -7.993 -18.272 1.00 0.00 H new ATOM 0 H41 DC B 8 37.110 -6.911 -15.957 1.00 0.00 H new ATOM 0 H42 DC B 8 36.040 -5.692 -15.256 1.00 0.00 H new ATOM 0 H5 DC B 8 36.323 -8.629 -17.455 1.00 0.00 H new ATOM 0 H6 DC B 8 34.379 -9.564 -18.597 1.00 0.00 H new TER 542 DC B 8