USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 hydrogens (0 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.0258 (180deg=-0.0258) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.357 4.103 11.453 1.00 1.26 O ATOM 2 C5' DC A 1 -6.614 3.353 10.489 1.00 1.19 C ATOM 3 C4' DC A 1 -5.258 3.998 10.208 1.00 0.94 C ATOM 4 O4' DC A 1 -4.548 3.224 9.239 1.00 0.90 O ATOM 5 C3' DC A 1 -5.350 5.429 9.664 1.00 0.87 C ATOM 6 O3' DC A 1 -4.593 6.307 10.505 1.00 0.75 O ATOM 7 C2' DC A 1 -4.712 5.362 8.279 1.00 0.80 C ATOM 8 C1' DC A 1 -3.842 4.124 8.394 1.00 0.74 C ATOM 9 N1 DC A 1 -3.588 3.438 7.114 1.00 0.78 N ATOM 10 C2 DC A 1 -2.277 3.388 6.666 1.00 0.65 C ATOM 11 O2 DC A 1 -1.380 3.907 7.328 1.00 0.52 O ATOM 12 N3 DC A 1 -2.021 2.755 5.489 1.00 0.71 N ATOM 13 C4 DC A 1 -3.010 2.195 4.778 1.00 0.89 C ATOM 14 N4 DC A 1 -2.725 1.585 3.629 1.00 0.97 N ATOM 15 C5 DC A 1 -4.364 2.245 5.237 1.00 1.03 C ATOM 16 C6 DC A 1 -4.607 2.873 6.405 1.00 0.98 C ATOM 0 H5' DC A 1 -7.184 3.282 9.563 1.00 1.19 H new ATOM 0 H5'' DC A 1 -6.467 2.336 10.852 1.00 1.19 H new ATOM 0 H4' DC A 1 -4.747 4.033 11.170 1.00 0.94 H new ATOM 0 H3' DC A 1 -6.375 5.799 9.629 1.00 0.87 H new ATOM 0 H2' DC A 1 -5.458 5.265 7.490 1.00 0.80 H new ATOM 0 H2'' DC A 1 -4.126 6.254 8.056 1.00 0.80 H new ATOM 0 HO5' DC A 1 -8.221 3.668 11.611 1.00 1.26 H new ATOM 0 H1' DC A 1 -2.867 4.431 8.774 1.00 0.74 H new ATOM 0 H41 DC A 1 -3.470 1.156 3.081 1.00 0.97 H new ATOM 0 H42 DC A 1 -1.761 1.547 3.297 1.00 0.97 H new ATOM 0 H5 DC A 1 -5.164 1.795 4.668 1.00 1.03 H new ATOM 0 H6 DC A 1 -5.617 2.929 6.783 1.00 0.98 H new ATOM 29 P DG A 2 -4.492 7.879 10.167 1.00 0.77 P ATOM 30 OP1 DG A 2 -4.166 8.602 11.417 1.00 0.78 O ATOM 31 OP2 DG A 2 -5.688 8.261 9.385 1.00 0.98 O ATOM 32 O5' DG A 2 -3.212 7.948 9.196 1.00 0.60 O ATOM 33 C5' DG A 2 -1.894 7.741 9.713 1.00 0.45 C ATOM 34 C4' DG A 2 -0.839 7.866 8.617 1.00 0.38 C ATOM 35 O4' DG A 2 -1.093 6.899 7.595 1.00 0.33 O ATOM 36 C3' DG A 2 -0.801 9.240 7.937 1.00 0.56 C ATOM 37 O3' DG A 2 0.506 9.804 8.086 1.00 0.65 O ATOM 38 C2' DG A 2 -1.080 8.959 6.461 1.00 0.56 C ATOM 39 C1' DG A 2 -0.738 7.484 6.348 1.00 0.35 C ATOM 40 N9 DG A 2 -1.477 6.776 5.289 1.00 0.36 N ATOM 41 C8 DG A 2 -2.824 6.557 5.188 1.00 0.54 C ATOM 42 N7 DG A 2 -3.175 5.900 4.118 1.00 0.62 N ATOM 43 C5 DG A 2 -1.972 5.665 3.461 1.00 0.46 C ATOM 44 C6 DG A 2 -1.721 4.992 2.234 1.00 0.49 C ATOM 45 O6 DG A 2 -2.529 4.461 1.476 1.00 0.65 O ATOM 46 N1 DG A 2 -0.366 4.979 1.930 1.00 0.37 N ATOM 47 C2 DG A 2 0.625 5.543 2.706 1.00 0.30 C ATOM 48 N2 DG A 2 1.871 5.430 2.248 1.00 0.41 N ATOM 49 N3 DG A 2 0.391 6.176 3.859 1.00 0.27 N ATOM 50 C4 DG A 2 -0.925 6.198 4.171 1.00 0.31 C ATOM 0 H5' DG A 2 -1.832 6.753 10.169 1.00 0.45 H new ATOM 0 H5'' DG A 2 -1.692 8.468 10.499 1.00 0.45 H new ATOM 0 H4' DG A 2 0.117 7.710 9.116 1.00 0.38 H new ATOM 0 H3' DG A 2 -1.520 9.939 8.363 1.00 0.56 H new ATOM 0 H2' DG A 2 -2.119 9.158 6.197 1.00 0.56 H new ATOM 0 H2'' DG A 2 -0.462 9.572 5.805 1.00 0.56 H new ATOM 0 H1' DG A 2 0.319 7.398 6.097 1.00 0.35 H new ATOM 0 H8 DG A 2 -3.533 6.898 5.928 1.00 0.54 H new ATOM 0 H1 DG A 2 -0.082 4.517 1.066 1.00 0.37 H new ATOM 0 H21 DG A 2 2.647 5.827 2.778 1.00 0.41 H new ATOM 0 H22 DG A 2 2.049 4.947 1.368 1.00 0.41 H new ATOM 62 P DC A 3 0.911 11.157 7.314 1.00 0.86 P ATOM 63 OP1 DC A 3 1.905 11.881 8.138 1.00 1.07 O ATOM 64 OP2 DC A 3 -0.333 11.838 6.891 1.00 0.99 O ATOM 65 O5' DC A 3 1.655 10.605 5.997 1.00 0.79 O ATOM 66 C5' DC A 3 2.867 9.854 6.110 1.00 0.77 C ATOM 67 C4' DC A 3 3.425 9.480 4.740 1.00 0.71 C ATOM 68 O4' DC A 3 2.425 8.788 3.993 1.00 0.60 O ATOM 69 C3' DC A 3 3.867 10.683 3.897 1.00 0.79 C ATOM 70 O3' DC A 3 5.267 10.573 3.607 1.00 0.83 O ATOM 71 C2' DC A 3 3.062 10.576 2.602 1.00 0.75 C ATOM 72 C1' DC A 3 2.590 9.132 2.625 1.00 0.62 C ATOM 73 N1 DC A 3 1.303 8.904 1.943 1.00 0.57 N ATOM 74 C2 DC A 3 1.338 8.286 0.704 1.00 0.57 C ATOM 75 O2 DC A 3 2.414 7.952 0.213 1.00 0.63 O ATOM 76 N3 DC A 3 0.160 8.065 0.059 1.00 0.57 N ATOM 77 C4 DC A 3 -1.005 8.436 0.607 1.00 0.58 C ATOM 78 N4 DC A 3 -2.140 8.205 -0.052 1.00 0.65 N ATOM 79 C5 DC A 3 -1.046 9.074 1.888 1.00 0.61 C ATOM 80 C6 DC A 3 0.126 9.289 2.516 1.00 0.60 C ATOM 0 H5' DC A 3 2.682 8.948 6.688 1.00 0.77 H new ATOM 0 H5'' DC A 3 3.607 10.437 6.658 1.00 0.77 H new ATOM 0 H4' DC A 3 4.303 8.866 4.938 1.00 0.71 H new ATOM 0 H3' DC A 3 3.702 11.632 4.407 1.00 0.79 H new ATOM 0 H2' DC A 3 2.226 11.276 2.585 1.00 0.75 H new ATOM 0 H2'' DC A 3 3.674 10.789 1.725 1.00 0.75 H new ATOM 0 H1' DC A 3 3.329 8.529 2.096 1.00 0.62 H new ATOM 0 H41 DC A 3 -3.032 8.483 0.356 1.00 0.65 H new ATOM 0 H42 DC A 3 -2.116 7.750 -0.964 1.00 0.65 H new ATOM 0 H5 DC A 3 -1.983 9.372 2.335 1.00 0.61 H new ATOM 0 H6 DC A 3 0.134 9.771 3.483 1.00 0.60 H new ATOM 92 P DG A 4 6.036 11.754 2.825 1.00 0.93 P ATOM 93 OP1 DG A 4 7.459 11.733 3.232 1.00 1.08 O ATOM 94 OP2 DG A 4 5.246 12.996 2.973 1.00 1.08 O ATOM 95 O5' DG A 4 5.945 11.281 1.288 1.00 0.74 O ATOM 96 C5' DG A 4 6.840 10.288 0.776 1.00 0.67 C ATOM 97 C4' DG A 4 6.641 10.073 -0.723 1.00 0.49 C ATOM 98 O4' DG A 4 5.292 9.662 -0.976 1.00 0.42 O ATOM 99 C3' DG A 4 6.899 11.325 -1.566 1.00 0.47 C ATOM 100 O3' DG A 4 7.707 10.980 -2.697 1.00 0.50 O ATOM 101 C2' DG A 4 5.516 11.757 -2.028 1.00 0.44 C ATOM 102 C1' DG A 4 4.781 10.431 -2.064 1.00 0.40 C ATOM 103 N9 DG A 4 3.321 10.545 -1.890 1.00 0.40 N ATOM 104 C8 DG A 4 2.626 11.143 -0.874 1.00 0.43 C ATOM 105 N7 DG A 4 1.332 11.069 -0.999 1.00 0.44 N ATOM 106 C5 DG A 4 1.151 10.372 -2.189 1.00 0.41 C ATOM 107 C6 DG A 4 -0.051 9.989 -2.845 1.00 0.43 C ATOM 108 O6 DG A 4 -1.210 10.194 -2.493 1.00 0.47 O ATOM 109 N1 DG A 4 0.209 9.302 -4.023 1.00 0.42 N ATOM 110 C2 DG A 4 1.467 9.016 -4.511 1.00 0.41 C ATOM 111 N2 DG A 4 1.515 8.346 -5.662 1.00 0.46 N ATOM 112 N3 DG A 4 2.599 9.373 -3.894 1.00 0.39 N ATOM 113 C4 DG A 4 2.364 10.046 -2.744 1.00 0.39 C ATOM 0 H5' DG A 4 6.681 9.347 1.304 1.00 0.67 H new ATOM 0 H5'' DG A 4 7.869 10.591 0.967 1.00 0.67 H new ATOM 0 H4' DG A 4 7.368 9.313 -1.011 1.00 0.49 H new ATOM 0 H3' DG A 4 7.419 12.109 -1.016 1.00 0.47 H new ATOM 0 H2' DG A 4 5.055 12.463 -1.337 1.00 0.44 H new ATOM 0 H2'' DG A 4 5.542 12.238 -3.006 1.00 0.44 H new ATOM 0 H1' DG A 4 4.941 9.983 -3.045 1.00 0.40 H new ATOM 0 H8 DG A 4 3.109 11.633 -0.041 1.00 0.43 H new ATOM 0 H1 DG A 4 -0.592 8.984 -4.569 1.00 0.42 H new ATOM 0 H21 DG A 4 2.416 8.105 -6.074 1.00 0.46 H new ATOM 0 H22 DG A 4 0.651 8.075 -6.131 1.00 0.46 H new ATOM 125 P DA A 5 8.031 12.077 -3.832 1.00 0.53 P ATOM 126 OP1 DA A 5 9.407 11.844 -4.323 1.00 0.65 O ATOM 127 OP2 DA A 5 7.650 13.408 -3.309 1.00 0.62 O ATOM 128 O5' DA A 5 7.003 11.685 -5.007 1.00 0.45 O ATOM 129 C5' DA A 5 7.244 10.542 -5.832 1.00 0.41 C ATOM 130 C4' DA A 5 6.262 10.476 -7.000 1.00 0.36 C ATOM 131 O4' DA A 5 4.928 10.351 -6.495 1.00 0.38 O ATOM 132 C3' DA A 5 6.295 11.714 -7.900 1.00 0.38 C ATOM 133 O3' DA A 5 6.279 11.310 -9.273 1.00 0.40 O ATOM 134 C2' DA A 5 5.009 12.453 -7.564 1.00 0.37 C ATOM 135 C1' DA A 5 4.100 11.307 -7.157 1.00 0.35 C ATOM 136 N9 DA A 5 3.024 11.692 -6.225 1.00 0.36 N ATOM 137 C8 DA A 5 3.118 12.382 -5.045 1.00 0.42 C ATOM 138 N7 DA A 5 1.974 12.567 -4.448 1.00 0.44 N ATOM 139 C5 DA A 5 1.055 11.958 -5.296 1.00 0.38 C ATOM 140 C6 DA A 5 -0.338 11.805 -5.231 1.00 0.41 C ATOM 141 N6 DA A 5 -1.077 12.280 -4.228 1.00 0.46 N ATOM 142 N1 DA A 5 -0.934 11.146 -6.239 1.00 0.42 N ATOM 143 C2 DA A 5 -0.191 10.676 -7.234 1.00 0.40 C ATOM 144 N3 DA A 5 1.120 10.756 -7.407 1.00 0.35 N ATOM 145 C4 DA A 5 1.687 11.421 -6.382 1.00 0.34 C ATOM 0 H5' DA A 5 7.159 9.635 -5.233 1.00 0.41 H new ATOM 0 H5'' DA A 5 8.264 10.577 -6.215 1.00 0.41 H new ATOM 0 H4' DA A 5 6.563 9.615 -7.596 1.00 0.36 H new ATOM 0 H3' DA A 5 7.184 12.326 -7.748 1.00 0.38 H new ATOM 0 H2' DA A 5 5.148 13.173 -6.757 1.00 0.37 H new ATOM 0 H2'' DA A 5 4.617 13.004 -8.419 1.00 0.37 H new ATOM 0 H1' DA A 5 3.612 10.931 -8.056 1.00 0.35 H new ATOM 0 H8 DA A 5 4.055 12.740 -4.646 1.00 0.42 H new ATOM 0 H61 DA A 5 -2.088 12.141 -4.229 1.00 0.46 H new ATOM 0 H62 DA A 5 -0.632 12.782 -3.460 1.00 0.46 H new ATOM 0 H2 DA A 5 -0.731 10.156 -8.011 1.00 0.40 H new ATOM 157 P DA A 6 6.378 12.408 -10.447 1.00 0.51 P ATOM 158 OP1 DA A 6 6.969 11.761 -11.640 1.00 0.61 O ATOM 159 OP2 DA A 6 6.998 13.629 -9.886 1.00 0.62 O ATOM 160 O5' DA A 6 4.832 12.730 -10.764 1.00 0.47 O ATOM 161 C5' DA A 6 4.078 11.877 -11.631 1.00 0.47 C ATOM 162 C4' DA A 6 2.691 12.449 -11.918 1.00 0.47 C ATOM 163 O4' DA A 6 1.940 12.535 -10.701 1.00 0.42 O ATOM 164 C3' DA A 6 2.710 13.856 -12.533 1.00 0.52 C ATOM 165 O3' DA A 6 1.791 13.909 -13.631 1.00 0.61 O ATOM 166 C2' DA A 6 2.216 14.750 -11.406 1.00 0.47 C ATOM 167 C1' DA A 6 1.283 13.798 -10.689 1.00 0.42 C ATOM 168 N9 DA A 6 0.992 14.160 -9.290 1.00 0.38 N ATOM 169 C8 DA A 6 1.864 14.440 -8.269 1.00 0.40 C ATOM 170 N7 DA A 6 1.278 14.753 -7.146 1.00 0.38 N ATOM 171 C5 DA A 6 -0.079 14.673 -7.447 1.00 0.34 C ATOM 172 C6 DA A 6 -1.238 14.890 -6.681 1.00 0.34 C ATOM 173 N6 DA A 6 -1.209 15.251 -5.398 1.00 0.37 N ATOM 174 N1 DA A 6 -2.422 14.720 -7.295 1.00 0.34 N ATOM 175 C2 DA A 6 -2.444 14.363 -8.574 1.00 0.35 C ATOM 176 N3 DA A 6 -1.432 14.133 -9.392 1.00 0.36 N ATOM 177 C4 DA A 6 -0.260 14.310 -8.749 1.00 0.35 C ATOM 0 H5' DA A 6 3.978 10.892 -11.176 1.00 0.47 H new ATOM 0 H5'' DA A 6 4.617 11.742 -12.569 1.00 0.47 H new ATOM 0 H4' DA A 6 2.242 11.767 -12.640 1.00 0.47 H new ATOM 0 H3' DA A 6 3.691 14.148 -12.909 1.00 0.52 H new ATOM 0 H2' DA A 6 3.027 15.097 -10.766 1.00 0.47 H new ATOM 0 H2'' DA A 6 1.700 15.636 -11.775 1.00 0.47 H new ATOM 0 H1' DA A 6 0.320 13.812 -11.200 1.00 0.42 H new ATOM 0 H8 DA A 6 2.937 14.405 -8.384 1.00 0.40 H new ATOM 0 H61 DA A 6 -2.081 15.395 -4.889 1.00 0.37 H new ATOM 0 H62 DA A 6 -0.315 15.383 -4.925 1.00 0.37 H new ATOM 0 H2 DA A 6 -3.427 14.244 -9.006 1.00 0.35 H new ATOM 189 P DG A 7 1.675 15.229 -14.549 1.00 0.71 P ATOM 190 OP1 DG A 7 0.917 14.877 -15.771 1.00 0.85 O ATOM 191 OP2 DG A 7 3.022 15.831 -14.666 1.00 0.77 O ATOM 192 O5' DG A 7 0.761 16.212 -13.656 1.00 0.61 O ATOM 193 C5' DG A 7 -0.649 15.993 -13.534 1.00 0.60 C ATOM 194 C4' DG A 7 -1.309 17.059 -12.662 1.00 0.56 C ATOM 195 O4' DG A 7 -0.627 17.138 -11.403 1.00 0.59 O ATOM 196 C3' DG A 7 -1.284 18.464 -13.274 1.00 0.52 C ATOM 197 O3' DG A 7 -2.520 19.134 -12.999 1.00 0.51 O ATOM 198 C2' DG A 7 -0.155 19.157 -12.531 1.00 0.56 C ATOM 199 C1' DG A 7 -0.263 18.501 -11.167 1.00 0.58 C ATOM 200 N9 DG A 7 0.989 18.506 -10.387 1.00 0.64 N ATOM 201 C8 DG A 7 2.277 18.325 -10.825 1.00 0.66 C ATOM 202 N7 DG A 7 3.171 18.388 -9.879 1.00 0.74 N ATOM 203 C5 DG A 7 2.426 18.627 -8.729 1.00 0.79 C ATOM 204 C6 DG A 7 2.855 18.791 -7.383 1.00 0.92 C ATOM 205 O6 DG A 7 4.000 18.756 -6.938 1.00 1.01 O ATOM 206 N1 DG A 7 1.783 19.015 -6.530 1.00 0.98 N ATOM 207 C2 DG A 7 0.461 19.073 -6.919 1.00 0.92 C ATOM 208 N2 DG A 7 -0.430 19.298 -5.954 1.00 1.03 N ATOM 209 N3 DG A 7 0.056 18.920 -8.184 1.00 0.80 N ATOM 210 C4 DG A 7 1.089 18.701 -9.030 1.00 0.74 C ATOM 0 H5' DG A 7 -0.829 15.008 -13.104 1.00 0.60 H new ATOM 0 H5'' DG A 7 -1.106 15.997 -14.524 1.00 0.60 H new ATOM 0 H4' DG A 7 -2.349 16.751 -12.558 1.00 0.56 H new ATOM 0 H3' DG A 7 -1.148 18.457 -14.355 1.00 0.52 H new ATOM 0 H2' DG A 7 0.815 18.982 -12.997 1.00 0.56 H new ATOM 0 H2'' DG A 7 -0.295 20.237 -12.482 1.00 0.56 H new ATOM 0 H1' DG A 7 -0.990 19.066 -10.583 1.00 0.58 H new ATOM 0 H8 DG A 7 2.527 18.146 -11.860 1.00 0.66 H new ATOM 0 H1 DG A 7 1.989 19.147 -5.540 1.00 0.98 H new ATOM 0 H21 DG A 7 -1.423 19.352 -6.179 1.00 1.03 H new ATOM 0 H22 DG A 7 -0.119 19.416 -4.990 1.00 1.03 H new ATOM 222 P DC A 8 -3.929 18.477 -13.418 1.00 0.53 P ATOM 223 OP1 DC A 8 -3.763 17.007 -13.449 1.00 0.64 O ATOM 224 OP2 DC A 8 -4.435 19.189 -14.612 1.00 0.57 O ATOM 225 O5' DC A 8 -4.874 18.851 -12.168 1.00 0.47 O ATOM 226 C5' DC A 8 -5.524 20.124 -12.101 1.00 0.47 C ATOM 227 C4' DC A 8 -5.733 20.572 -10.655 1.00 0.45 C ATOM 228 O4' DC A 8 -4.474 20.685 -9.988 1.00 0.48 O ATOM 229 C3' DC A 8 -6.432 21.932 -10.510 1.00 0.52 C ATOM 230 O3' DC A 8 -7.680 21.755 -9.826 1.00 0.52 O ATOM 231 C2' DC A 8 -5.485 22.770 -9.644 1.00 0.60 C ATOM 232 C1' DC A 8 -4.612 21.705 -9.008 1.00 0.57 C ATOM 233 N1 DC A 8 -3.262 22.164 -8.619 1.00 0.70 N ATOM 234 C2 DC A 8 -3.021 22.346 -7.266 1.00 1.06 C ATOM 235 O2 DC A 8 -3.915 22.133 -6.448 1.00 1.32 O ATOM 236 N3 DC A 8 -1.786 22.763 -6.879 1.00 1.23 N ATOM 237 C4 DC A 8 -0.823 22.994 -7.781 1.00 1.03 C ATOM 238 N4 DC A 8 0.377 23.401 -7.369 1.00 1.20 N ATOM 239 C5 DC A 8 -1.066 22.808 -9.179 1.00 0.81 C ATOM 240 C6 DC A 8 -2.293 22.395 -9.552 1.00 0.70 C ATOM 0 H5' DC A 8 -6.487 20.069 -12.608 1.00 0.47 H new ATOM 0 H5'' DC A 8 -4.927 20.867 -12.630 1.00 0.47 H new ATOM 0 H4' DC A 8 -6.374 19.807 -10.216 1.00 0.45 H new ATOM 0 H3' DC A 8 -6.638 22.401 -11.472 1.00 0.52 H new ATOM 0 H2' DC A 8 -4.902 23.473 -10.240 1.00 0.60 H new ATOM 0 H2'' DC A 8 -6.024 23.354 -8.898 1.00 0.60 H new ATOM 0 H1' DC A 8 -5.088 21.382 -8.082 1.00 0.57 H new ATOM 0 H41 DC A 8 1.116 23.579 -8.049 1.00 1.20 H new ATOM 0 H42 DC A 8 0.556 23.534 -6.374 1.00 1.20 H new ATOM 0 H5 DC A 8 -0.292 22.992 -9.910 1.00 0.81 H new ATOM 0 H6 DC A 8 -2.512 22.245 -10.599 1.00 0.70 H new ATOM 252 P DA A 9 -8.625 23.021 -9.505 1.00 0.60 P ATOM 253 OP1 DA A 9 -8.834 23.771 -10.764 1.00 0.72 O ATOM 254 OP2 DA A 9 -8.080 23.715 -8.317 1.00 0.66 O ATOM 255 O5' DA A 9 -10.022 22.334 -9.090 1.00 0.60 O ATOM 256 C5' DA A 9 -10.271 21.940 -7.736 1.00 0.55 C ATOM 257 C4' DA A 9 -10.302 20.421 -7.589 1.00 0.51 C ATOM 258 O4' DA A 9 -9.046 19.880 -7.984 1.00 0.51 O ATOM 259 C3' DA A 9 -10.573 19.927 -6.159 1.00 0.47 C ATOM 260 O3' DA A 9 -11.788 19.164 -6.145 1.00 0.48 O ATOM 261 C2' DA A 9 -9.384 19.023 -5.825 1.00 0.44 C ATOM 262 C1' DA A 9 -8.821 18.717 -7.204 1.00 0.47 C ATOM 263 N9 DA A 9 -7.372 18.420 -7.251 1.00 0.47 N ATOM 264 C8 DA A 9 -6.373 18.780 -6.379 1.00 0.48 C ATOM 265 N7 DA A 9 -5.189 18.359 -6.731 1.00 0.50 N ATOM 266 C5 DA A 9 -5.420 17.674 -7.920 1.00 0.49 C ATOM 267 C6 DA A 9 -4.568 16.989 -8.803 1.00 0.51 C ATOM 268 N6 DA A 9 -3.253 16.878 -8.611 1.00 0.53 N ATOM 269 N1 DA A 9 -5.128 16.427 -9.887 1.00 0.52 N ATOM 270 C2 DA A 9 -6.438 16.541 -10.072 1.00 0.51 C ATOM 271 N3 DA A 9 -7.337 17.154 -9.320 1.00 0.49 N ATOM 272 C4 DA A 9 -6.745 17.708 -8.242 1.00 0.48 C ATOM 0 H5' DA A 9 -11.221 22.358 -7.404 1.00 0.55 H new ATOM 0 H5'' DA A 9 -9.498 22.353 -7.088 1.00 0.55 H new ATOM 0 H4' DA A 9 -11.126 20.088 -8.220 1.00 0.51 H new ATOM 0 H3' DA A 9 -10.681 20.742 -5.444 1.00 0.47 H new ATOM 0 H2' DA A 9 -8.655 19.526 -5.189 1.00 0.44 H new ATOM 0 H2'' DA A 9 -9.694 18.119 -5.301 1.00 0.44 H new ATOM 0 H1' DA A 9 -9.316 17.814 -7.562 1.00 0.47 H new ATOM 0 H8 DA A 9 -6.551 19.358 -5.484 1.00 0.48 H new ATOM 0 H61 DA A 9 -2.680 16.369 -9.284 1.00 0.53 H new ATOM 0 H62 DA A 9 -2.820 17.302 -7.791 1.00 0.53 H new ATOM 0 H2 DA A 9 -6.824 16.066 -10.962 1.00 0.51 H new ATOM 284 P DT A 10 -12.061 18.053 -5.007 1.00 0.44 P ATOM 285 OP1 DT A 10 -13.524 17.898 -4.847 1.00 0.48 O ATOM 286 OP2 DT A 10 -11.220 18.373 -3.832 1.00 0.44 O ATOM 287 O5' DT A 10 -11.486 16.712 -5.684 1.00 0.39 O ATOM 288 C5' DT A 10 -11.996 16.260 -6.942 1.00 0.39 C ATOM 289 C4' DT A 10 -11.077 15.217 -7.572 1.00 0.30 C ATOM 290 O4' DT A 10 -9.730 15.672 -7.498 1.00 0.31 O ATOM 291 C3' DT A 10 -11.128 13.849 -6.886 1.00 0.31 C ATOM 292 O3' DT A 10 -11.687 12.890 -7.790 1.00 0.32 O ATOM 293 C2' DT A 10 -9.668 13.490 -6.590 1.00 0.28 C ATOM 294 C1' DT A 10 -8.888 14.533 -7.378 1.00 0.26 C ATOM 295 N1 DT A 10 -7.639 14.968 -6.722 1.00 0.30 N ATOM 296 C2 DT A 10 -6.456 14.778 -7.409 1.00 0.32 C ATOM 297 O2 DT A 10 -6.424 14.277 -8.531 1.00 0.34 O ATOM 298 N3 DT A 10 -5.306 15.190 -6.760 1.00 0.38 N ATOM 299 C4 DT A 10 -5.240 15.767 -5.504 1.00 0.42 C ATOM 300 O4 DT A 10 -4.159 16.095 -5.020 1.00 0.50 O ATOM 301 C5 DT A 10 -6.526 15.927 -4.864 1.00 0.39 C ATOM 302 C7 DT A 10 -6.600 16.553 -3.476 1.00 0.47 C ATOM 303 C6 DT A 10 -7.661 15.533 -5.475 1.00 0.33 C ATOM 0 H5' DT A 10 -12.104 17.108 -7.618 1.00 0.39 H new ATOM 0 H5'' DT A 10 -12.990 15.835 -6.802 1.00 0.39 H new ATOM 0 H4' DT A 10 -11.426 15.094 -8.597 1.00 0.30 H new ATOM 0 H3' DT A 10 -11.736 13.860 -5.981 1.00 0.31 H new ATOM 0 H2' DT A 10 -9.448 13.543 -5.524 1.00 0.28 H new ATOM 0 H2'' DT A 10 -9.428 12.477 -6.915 1.00 0.28 H new ATOM 0 H1' DT A 10 -8.607 14.087 -8.332 1.00 0.26 H new ATOM 0 H3 DT A 10 -4.424 15.056 -7.254 1.00 0.38 H new ATOM 0 H71 DT A 10 -7.550 17.074 -3.362 1.00 0.47 H new ATOM 0 H72 DT A 10 -6.522 15.772 -2.720 1.00 0.47 H new ATOM 0 H73 DT A 10 -5.781 17.261 -3.352 1.00 0.47 H new ATOM 0 H6 DT A 10 -8.607 15.666 -4.971 1.00 0.33 H new ATOM 316 P DT A 11 -11.623 11.316 -7.458 1.00 0.44 P ATOM 317 OP1 DT A 11 -12.733 10.645 -8.171 1.00 0.60 O ATOM 318 OP2 DT A 11 -11.485 11.157 -5.993 1.00 0.51 O ATOM 319 O5' DT A 11 -10.238 10.869 -8.147 1.00 0.40 O ATOM 320 C5' DT A 11 -10.082 10.936 -9.567 1.00 0.45 C ATOM 321 C4' DT A 11 -8.767 10.310 -10.019 1.00 0.49 C ATOM 322 O4' DT A 11 -7.672 10.998 -9.405 1.00 0.44 O ATOM 323 C3' DT A 11 -8.629 8.826 -9.660 1.00 0.58 C ATOM 324 O3' DT A 11 -8.267 8.085 -10.830 1.00 0.69 O ATOM 325 C2' DT A 11 -7.492 8.780 -8.645 1.00 0.55 C ATOM 326 C1' DT A 11 -6.711 10.031 -9.001 1.00 0.48 C ATOM 327 N1 DT A 11 -5.940 10.602 -7.880 1.00 0.42 N ATOM 328 C2 DT A 11 -4.567 10.669 -8.017 1.00 0.42 C ATOM 329 O2 DT A 11 -3.990 10.269 -9.027 1.00 0.47 O ATOM 330 N3 DT A 11 -3.877 11.214 -6.950 1.00 0.39 N ATOM 331 C4 DT A 11 -4.435 11.688 -5.775 1.00 0.37 C ATOM 332 O4 DT A 11 -3.726 12.154 -4.888 1.00 0.39 O ATOM 333 C5 DT A 11 -5.875 11.576 -5.722 1.00 0.37 C ATOM 334 C7 DT A 11 -6.618 12.062 -4.484 1.00 0.39 C ATOM 335 C6 DT A 11 -6.570 11.050 -6.751 1.00 0.39 C ATOM 0 H5' DT A 11 -10.119 11.977 -9.889 1.00 0.45 H new ATOM 0 H5'' DT A 11 -10.914 10.423 -10.049 1.00 0.45 H new ATOM 0 H4' DT A 11 -8.759 10.397 -11.105 1.00 0.49 H new ATOM 0 H3' DT A 11 -9.552 8.399 -9.268 1.00 0.58 H new ATOM 0 H2' DT A 11 -7.858 8.804 -7.619 1.00 0.55 H new ATOM 0 H2'' DT A 11 -6.889 7.878 -8.747 1.00 0.55 H new ATOM 0 H1' DT A 11 -5.986 9.768 -9.771 1.00 0.48 H new ATOM 0 H3 DT A 11 -2.862 11.272 -7.037 1.00 0.39 H new ATOM 0 H71 DT A 11 -7.613 12.406 -4.768 1.00 0.39 H new ATOM 0 H72 DT A 11 -6.707 11.244 -3.769 1.00 0.39 H new ATOM 0 H73 DT A 11 -6.066 12.884 -4.028 1.00 0.39 H new ATOM 0 H6 DT A 11 -7.646 10.981 -6.683 1.00 0.39 H new ATOM 348 P DC A 12 -7.924 6.515 -10.731 1.00 0.82 P ATOM 349 OP1 DC A 12 -8.171 5.901 -12.055 1.00 0.97 O ATOM 350 OP2 DC A 12 -8.596 5.971 -9.530 1.00 0.83 O ATOM 351 O5' DC A 12 -6.336 6.515 -10.463 1.00 0.80 O ATOM 352 C5' DC A 12 -5.426 6.899 -11.498 1.00 0.82 C ATOM 353 C4' DC A 12 -3.975 6.758 -11.049 1.00 0.77 C ATOM 354 O4' DC A 12 -3.736 7.607 -9.921 1.00 0.70 O ATOM 355 C3' DC A 12 -3.590 5.332 -10.633 1.00 0.78 C ATOM 356 O3' DC A 12 -2.393 4.942 -11.318 1.00 0.81 O ATOM 357 C2' DC A 12 -3.323 5.435 -9.135 1.00 0.70 C ATOM 358 C1' DC A 12 -2.920 6.890 -9.002 1.00 0.67 C ATOM 359 N1 DC A 12 -3.133 7.463 -7.658 1.00 0.61 N ATOM 360 C2 DC A 12 -2.020 7.955 -6.993 1.00 0.56 C ATOM 361 O2 DC A 12 -0.912 7.894 -7.521 1.00 0.59 O ATOM 362 N3 DC A 12 -2.193 8.495 -5.757 1.00 0.51 N ATOM 363 C4 DC A 12 -3.407 8.551 -5.195 1.00 0.51 C ATOM 364 N4 DC A 12 -3.542 9.087 -3.981 1.00 0.48 N ATOM 365 C5 DC A 12 -4.559 8.045 -5.877 1.00 0.56 C ATOM 366 C6 DC A 12 -4.376 7.512 -7.101 1.00 0.61 C ATOM 0 H5' DC A 12 -5.619 7.932 -11.789 1.00 0.82 H new ATOM 0 H5'' DC A 12 -5.596 6.282 -12.381 1.00 0.82 H new ATOM 0 H4' DC A 12 -3.372 7.034 -11.914 1.00 0.77 H new ATOM 0 H3' DC A 12 -4.360 4.597 -10.869 1.00 0.78 H new ATOM 0 H2' DC A 12 -4.207 5.198 -8.543 1.00 0.70 H new ATOM 0 H2'' DC A 12 -2.532 4.759 -8.811 1.00 0.70 H new ATOM 0 H1' DC A 12 -1.850 6.964 -9.194 1.00 0.67 H new ATOM 0 H41 DC A 12 -4.462 9.135 -3.544 1.00 0.48 H new ATOM 0 H42 DC A 12 -2.725 9.449 -3.490 1.00 0.48 H new ATOM 0 H5 DC A 12 -5.540 8.089 -5.427 1.00 0.56 H new ATOM 0 H6 DC A 12 -5.222 7.120 -7.646 1.00 0.61 H new ATOM 378 P DG A 13 -1.807 3.449 -11.162 1.00 0.83 P ATOM 379 OP1 DG A 13 -1.138 3.077 -12.428 1.00 0.95 O ATOM 380 OP2 DG A 13 -2.877 2.588 -10.613 1.00 0.90 O ATOM 381 O5' DG A 13 -0.676 3.629 -10.028 1.00 0.67 O ATOM 382 C5' DG A 13 0.635 4.088 -10.374 1.00 0.60 C ATOM 383 C4' DG A 13 1.532 4.207 -9.144 1.00 0.45 C ATOM 384 O4' DG A 13 0.926 5.086 -8.187 1.00 0.48 O ATOM 385 C3' DG A 13 1.791 2.875 -8.435 1.00 0.31 C ATOM 386 O3' DG A 13 3.196 2.720 -8.213 1.00 0.25 O ATOM 387 C2' DG A 13 1.066 3.006 -7.102 1.00 0.34 C ATOM 388 C1' DG A 13 1.082 4.508 -6.894 1.00 0.40 C ATOM 389 N9 DG A 13 -0.006 5.010 -6.034 1.00 0.48 N ATOM 390 C8 DG A 13 -1.359 4.918 -6.228 1.00 0.64 C ATOM 391 N7 DG A 13 -2.069 5.462 -5.282 1.00 0.69 N ATOM 392 C5 DG A 13 -1.120 5.951 -4.391 1.00 0.56 C ATOM 393 C6 DG A 13 -1.298 6.646 -3.164 1.00 0.56 C ATOM 394 O6 DG A 13 -2.350 6.969 -2.616 1.00 0.66 O ATOM 395 N1 DG A 13 -0.081 6.960 -2.576 1.00 0.47 N ATOM 396 C2 DG A 13 1.156 6.646 -3.101 1.00 0.41 C ATOM 397 N2 DG A 13 2.214 7.031 -2.388 1.00 0.46 N ATOM 398 N3 DG A 13 1.325 5.994 -4.256 1.00 0.38 N ATOM 399 C4 DG A 13 0.147 5.680 -4.843 1.00 0.45 C ATOM 0 H5' DG A 13 0.563 5.057 -10.868 1.00 0.60 H new ATOM 0 H5'' DG A 13 1.086 3.399 -11.088 1.00 0.60 H new ATOM 0 H4' DG A 13 2.485 4.587 -9.512 1.00 0.45 H new ATOM 0 H3' DG A 13 1.449 2.015 -9.011 1.00 0.31 H new ATOM 0 H2' DG A 13 0.052 2.609 -7.146 1.00 0.34 H new ATOM 0 H2'' DG A 13 1.581 2.476 -6.301 1.00 0.34 H new ATOM 0 H1' DG A 13 2.013 4.773 -6.393 1.00 0.40 H new ATOM 0 H8 DG A 13 -1.798 4.437 -7.090 1.00 0.64 H new ATOM 0 H1 DG A 13 -0.102 7.461 -1.688 1.00 0.47 H new ATOM 0 H21 DG A 13 3.156 6.828 -2.723 1.00 0.46 H new ATOM 0 H22 DG A 13 2.082 7.528 -1.507 1.00 0.46 H new ATOM 411 P DC A 14 3.766 1.439 -7.420 1.00 0.25 P ATOM 412 OP1 DC A 14 5.075 1.074 -8.007 1.00 0.37 O ATOM 413 OP2 DC A 14 2.687 0.428 -7.340 1.00 0.31 O ATOM 414 O5' DC A 14 4.021 2.022 -5.942 1.00 0.27 O ATOM 415 C5' DC A 14 5.048 2.992 -5.713 1.00 0.36 C ATOM 416 C4' DC A 14 5.180 3.332 -4.231 1.00 0.38 C ATOM 417 O4' DC A 14 3.931 3.811 -3.737 1.00 0.29 O ATOM 418 C3' DC A 14 5.584 2.142 -3.352 1.00 0.45 C ATOM 419 O3' DC A 14 6.827 2.431 -2.702 1.00 0.61 O ATOM 420 C2' DC A 14 4.473 2.025 -2.308 1.00 0.40 C ATOM 421 C1' DC A 14 3.812 3.390 -2.386 1.00 0.28 C ATOM 422 N1 DC A 14 2.380 3.392 -2.034 1.00 0.22 N ATOM 423 C2 DC A 14 2.015 4.019 -0.854 1.00 0.24 C ATOM 424 O2 DC A 14 2.871 4.548 -0.149 1.00 0.34 O ATOM 425 N3 DC A 14 0.698 4.029 -0.510 1.00 0.30 N ATOM 426 C4 DC A 14 -0.222 3.448 -1.292 1.00 0.43 C ATOM 427 N4 DC A 14 -1.503 3.476 -0.925 1.00 0.59 N ATOM 428 C5 DC A 14 0.151 2.801 -2.511 1.00 0.45 C ATOM 429 C6 DC A 14 1.457 2.796 -2.842 1.00 0.33 C ATOM 0 H5' DC A 14 4.825 3.898 -6.276 1.00 0.36 H new ATOM 0 H5'' DC A 14 5.999 2.611 -6.085 1.00 0.36 H new ATOM 0 H4' DC A 14 5.970 4.081 -4.173 1.00 0.38 H new ATOM 0 H3' DC A 14 5.708 1.224 -3.926 1.00 0.45 H new ATOM 0 H2' DC A 14 3.776 1.221 -2.544 1.00 0.40 H new ATOM 0 H2'' DC A 14 4.869 1.821 -1.313 1.00 0.40 H new ATOM 0 H1' DC A 14 4.304 4.044 -1.666 1.00 0.28 H new ATOM 0 H41 DC A 14 -2.212 3.037 -1.513 1.00 0.59 H new ATOM 0 H42 DC A 14 -1.775 3.937 -0.056 1.00 0.59 H new ATOM 0 H5 DC A 14 -0.588 2.333 -3.144 1.00 0.45 H new ATOM 0 H6 DC A 14 1.776 2.316 -3.755 1.00 0.33 H new ATOM 441 P DG A 15 7.417 1.434 -1.583 1.00 0.76 P ATOM 442 OP1 DG A 15 8.895 1.460 -1.669 1.00 0.91 O ATOM 443 OP2 DG A 15 6.695 0.146 -1.685 1.00 0.75 O ATOM 444 O5' DG A 15 6.980 2.148 -0.208 1.00 0.77 O ATOM 445 C5' DG A 15 7.555 3.401 0.173 1.00 0.86 C ATOM 446 C4' DG A 15 7.312 3.709 1.648 1.00 0.92 C ATOM 447 O4' DG A 15 5.902 3.772 1.901 1.00 0.75 O ATOM 448 C3' DG A 15 7.884 2.661 2.600 1.00 1.10 C ATOM 449 O3' DG A 15 8.339 3.260 3.819 1.00 1.25 O ATOM 450 C2' DG A 15 6.694 1.753 2.842 1.00 1.01 C ATOM 451 C1' DG A 15 5.565 2.767 2.863 1.00 0.79 C ATOM 452 N9 DG A 15 4.247 2.214 2.497 1.00 0.65 N ATOM 453 C8 DG A 15 3.918 1.413 1.437 1.00 0.67 C ATOM 454 N7 DG A 15 2.655 1.098 1.383 1.00 0.66 N ATOM 455 C5 DG A 15 2.104 1.735 2.490 1.00 0.58 C ATOM 456 C6 DG A 15 0.761 1.755 2.954 1.00 0.62 C ATOM 457 O6 DG A 15 -0.222 1.203 2.465 1.00 0.76 O ATOM 458 N1 DG A 15 0.632 2.516 4.108 1.00 0.54 N ATOM 459 C2 DG A 15 1.664 3.178 4.739 1.00 0.49 C ATOM 460 N2 DG A 15 1.345 3.858 5.839 1.00 0.49 N ATOM 461 N3 DG A 15 2.928 3.160 4.304 1.00 0.54 N ATOM 462 C4 DG A 15 3.072 2.421 3.179 1.00 0.56 C ATOM 0 H5' DG A 15 7.131 4.197 -0.439 1.00 0.86 H new ATOM 0 H5'' DG A 15 8.627 3.384 -0.023 1.00 0.86 H new ATOM 0 H4' DG A 15 7.817 4.657 1.835 1.00 0.92 H new ATOM 0 H3' DG A 15 8.753 2.139 2.200 1.00 1.10 H new ATOM 0 H2' DG A 15 6.571 1.013 2.051 1.00 1.01 H new ATOM 0 H2'' DG A 15 6.776 1.205 3.781 1.00 1.01 H new ATOM 0 HO3' DG A 15 8.698 2.566 4.410 1.00 1.25 H new ATOM 0 H1' DG A 15 5.471 3.139 3.883 1.00 0.79 H new ATOM 0 H8 DG A 15 4.641 1.073 0.710 1.00 0.67 H new ATOM 0 H1 DG A 15 -0.298 2.591 4.521 1.00 0.54 H new ATOM 0 H21 DG A 15 2.065 4.368 6.350 1.00 0.49 H new ATOM 0 H22 DG A 15 0.380 3.868 6.170 1.00 0.49 H new TER 475 DG A 15