USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 160 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl -30:sc=-6.72e-05 (180deg=-0.621) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl -30:sc= 0 (180deg=-0.596) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.900 2.373 2.535 1.00 0.84 O ATOM 2 C5' DG A 1 -8.086 1.785 1.520 1.00 0.62 C ATOM 3 C4' DG A 1 -6.621 1.521 2.031 1.00 0.48 C ATOM 4 O4' DG A 1 -5.740 0.959 1.035 1.00 0.44 O ATOM 5 C3' DG A 1 -5.752 2.585 2.709 1.00 0.45 C ATOM 6 O3' DG A 1 -4.932 1.980 3.725 1.00 0.52 O ATOM 7 C2' DG A 1 -4.848 3.079 1.575 1.00 0.33 C ATOM 8 C1' DG A 1 -4.532 1.735 0.907 1.00 0.32 C ATOM 9 N9 DG A 1 -4.322 1.746 -0.563 1.00 0.29 N ATOM 10 C8 DG A 1 -3.386 1.068 -1.306 1.00 0.30 C ATOM 11 N7 DG A 1 -3.486 1.267 -2.590 1.00 0.35 N ATOM 12 C5 DG A 1 -4.555 2.133 -2.720 1.00 0.34 C ATOM 13 C6 DG A 1 -5.124 2.696 -3.888 1.00 0.42 C ATOM 14 O6 DG A 1 -4.773 2.542 -5.053 1.00 0.50 O ATOM 15 N1 DG A 1 -6.189 3.519 -3.590 1.00 0.50 N ATOM 16 C2 DG A 1 -6.651 3.769 -2.324 1.00 0.55 C ATOM 17 N2 DG A 1 -7.686 4.584 -2.205 1.00 0.73 N ATOM 18 N3 DG A 1 -6.124 3.247 -1.224 1.00 0.48 N ATOM 19 C4 DG A 1 -5.077 2.436 -1.490 1.00 0.35 C ATOM 0 H5' DG A 1 -8.056 2.442 0.651 1.00 0.62 H new ATOM 0 H5'' DG A 1 -8.533 0.846 1.194 1.00 0.62 H new ATOM 0 H4' DG A 1 -6.965 0.862 2.828 1.00 0.48 H new ATOM 0 H3' DG A 1 -6.340 3.371 3.182 1.00 0.45 H new ATOM 0 H2' DG A 1 -5.356 3.772 0.904 1.00 0.33 H new ATOM 0 H2'' DG A 1 -3.955 3.586 1.941 1.00 0.33 H new ATOM 0 HO5' DG A 1 -9.802 2.525 2.184 1.00 0.84 H new ATOM 0 H1' DG A 1 -3.615 1.384 1.380 1.00 0.32 H new ATOM 0 H8 DG A 1 -2.635 0.428 -0.866 1.00 0.30 H new ATOM 0 H1 DG A 1 -6.667 3.974 -4.367 1.00 0.50 H new ATOM 0 H21 DG A 1 -8.063 4.798 -1.282 1.00 0.73 H new ATOM 0 H22 DG A 1 -8.107 4.998 -3.037 1.00 0.73 H new ATOM 32 P DG A 2 -4.477 2.756 5.059 1.00 0.59 P ATOM 33 OP1 DG A 2 -3.963 1.742 6.010 1.00 0.75 O ATOM 34 OP2 DG A 2 -5.594 3.638 5.473 1.00 0.81 O ATOM 35 O5' DG A 2 -3.238 3.677 4.540 1.00 0.41 O ATOM 36 C5' DG A 2 -1.891 3.163 4.392 1.00 0.34 C ATOM 37 C4' DG A 2 -1.014 3.871 3.249 1.00 0.28 C ATOM 38 O4' DG A 2 -1.597 3.764 1.915 1.00 0.30 O ATOM 39 C3' DG A 2 -0.719 5.406 3.384 1.00 0.27 C ATOM 40 O3' DG A 2 0.467 6.075 2.884 1.00 0.28 O ATOM 41 C2' DG A 2 -1.769 5.949 2.440 1.00 0.28 C ATOM 42 C1' DG A 2 -1.450 5.038 1.247 1.00 0.29 C ATOM 43 N9 DG A 2 -2.369 5.287 0.098 1.00 0.28 N ATOM 44 C8 DG A 2 -3.626 5.855 0.126 1.00 0.34 C ATOM 45 N7 DG A 2 -4.201 5.934 -1.027 1.00 0.35 N ATOM 46 C5 DG A 2 -3.281 5.393 -1.903 1.00 0.29 C ATOM 47 C6 DG A 2 -3.386 5.229 -3.304 1.00 0.31 C ATOM 48 O6 DG A 2 -4.304 5.537 -4.063 1.00 0.38 O ATOM 49 N1 DG A 2 -2.254 4.649 -3.809 1.00 0.30 N ATOM 50 C2 DG A 2 -1.155 4.275 -3.087 1.00 0.30 C ATOM 51 N2 DG A 2 -0.167 3.781 -3.813 1.00 0.33 N ATOM 52 N3 DG A 2 -1.030 4.415 -1.770 1.00 0.29 N ATOM 53 C4 DG A 2 -2.145 4.988 -1.238 1.00 0.26 C ATOM 0 H5' DG A 2 -1.948 2.096 4.176 1.00 0.34 H new ATOM 0 H5'' DG A 2 -1.372 3.269 5.345 1.00 0.34 H new ATOM 0 H4' DG A 2 -0.092 3.306 3.390 1.00 0.28 H new ATOM 0 H3' DG A 2 -0.653 5.567 4.460 1.00 0.27 H new ATOM 0 H2' DG A 2 -2.786 5.825 2.813 1.00 0.28 H new ATOM 0 H2'' DG A 2 -1.638 7.008 2.217 1.00 0.28 H new ATOM 0 H1' DG A 2 -0.484 5.164 0.757 1.00 0.29 H new ATOM 0 H8 DG A 2 -4.090 6.204 1.036 1.00 0.34 H new ATOM 0 H1 DG A 2 -2.228 4.481 -4.815 1.00 0.30 H new ATOM 0 H21 DG A 2 0.694 3.475 -3.361 1.00 0.33 H new ATOM 0 H22 DG A 2 -0.266 3.706 -4.825 1.00 0.33 H new ATOM 65 P DA A 3 0.852 7.581 3.394 1.00 0.36 P ATOM 66 OP1 DA A 3 0.004 7.920 4.561 1.00 0.52 O ATOM 67 OP2 DA A 3 0.897 8.472 2.211 1.00 0.50 O ATOM 68 O5' DA A 3 2.357 7.273 3.899 1.00 0.38 O ATOM 69 C5' DA A 3 2.602 6.086 4.679 1.00 0.33 C ATOM 70 C4' DA A 3 3.673 5.137 4.003 1.00 0.31 C ATOM 71 O4' DA A 3 3.237 4.823 2.656 1.00 0.35 O ATOM 72 C3' DA A 3 5.164 5.553 3.811 1.00 0.37 C ATOM 73 O3' DA A 3 6.139 4.505 3.603 1.00 0.44 O ATOM 74 C2' DA A 3 5.083 6.217 2.451 1.00 0.35 C ATOM 75 C1' DA A 3 4.254 5.180 1.698 1.00 0.35 C ATOM 76 N9 DA A 3 3.654 5.807 0.504 1.00 0.32 N ATOM 77 C8 DA A 3 2.536 6.578 0.414 1.00 0.34 C ATOM 78 N7 DA A 3 2.287 7.033 -0.784 1.00 0.35 N ATOM 79 C5 DA A 3 3.323 6.514 -1.546 1.00 0.33 C ATOM 80 C6 DA A 3 3.651 6.616 -2.904 1.00 0.36 C ATOM 81 N6 DA A 3 2.929 7.291 -3.783 1.00 0.39 N ATOM 82 N1 DA A 3 4.740 5.976 -3.320 1.00 0.36 N ATOM 83 C2 DA A 3 5.452 5.282 -2.445 1.00 0.37 C ATOM 84 N3 DA A 3 5.256 5.110 -1.149 1.00 0.34 N ATOM 85 C4 DA A 3 4.154 5.765 -0.763 1.00 0.32 C ATOM 0 H5' DA A 3 1.668 5.541 4.811 1.00 0.33 H new ATOM 0 H5'' DA A 3 2.947 6.371 5.673 1.00 0.33 H new ATOM 0 H4' DA A 3 3.699 4.351 4.758 1.00 0.31 H new ATOM 0 H3' DA A 3 5.489 6.090 4.702 1.00 0.37 H new ATOM 0 H2' DA A 3 4.595 7.191 2.491 1.00 0.35 H new ATOM 0 H2'' DA A 3 6.065 6.371 2.003 1.00 0.35 H new ATOM 0 H1' DA A 3 4.825 4.320 1.348 1.00 0.35 H new ATOM 0 H8 DA A 3 1.906 6.796 1.264 1.00 0.34 H new ATOM 0 H61 DA A 3 3.220 7.329 -4.760 1.00 0.39 H new ATOM 0 H62 DA A 3 2.082 7.774 -3.484 1.00 0.39 H new ATOM 0 H2 DA A 3 6.320 4.783 -2.850 1.00 0.37 H new ATOM 97 P DG A 4 7.069 3.795 4.719 1.00 0.59 P ATOM 98 OP1 DG A 4 7.688 4.853 5.555 1.00 0.75 O ATOM 99 OP2 DG A 4 7.935 2.823 4.011 1.00 0.94 O ATOM 100 O5' DG A 4 5.992 2.961 5.610 1.00 0.57 O ATOM 101 C5' DG A 4 5.510 3.396 6.898 1.00 0.36 C ATOM 102 C4' DG A 4 4.378 2.549 7.530 1.00 0.31 C ATOM 103 O4' DG A 4 3.183 2.486 6.713 1.00 0.35 O ATOM 104 C3' DG A 4 4.634 1.109 7.957 1.00 0.30 C ATOM 105 O3' DG A 4 3.889 0.711 9.131 1.00 0.37 O ATOM 106 C2' DG A 4 4.150 0.436 6.679 1.00 0.31 C ATOM 107 C1' DG A 4 2.787 1.114 6.523 1.00 0.31 C ATOM 108 N9 DG A 4 2.188 0.946 5.171 1.00 0.31 N ATOM 109 C8 DG A 4 2.717 1.313 3.957 1.00 0.30 C ATOM 110 N7 DG A 4 1.968 1.028 2.930 1.00 0.33 N ATOM 111 C5 DG A 4 0.854 0.423 3.504 1.00 0.32 C ATOM 112 C6 DG A 4 -0.307 -0.102 2.884 1.00 0.35 C ATOM 113 O6 DG A 4 -0.588 -0.140 1.692 1.00 0.42 O ATOM 114 N1 DG A 4 -1.187 -0.616 3.805 1.00 0.37 N ATOM 115 C2 DG A 4 -0.995 -0.634 5.156 1.00 0.43 C ATOM 116 N2 DG A 4 -1.972 -1.163 5.871 1.00 0.57 N ATOM 117 N3 DG A 4 0.086 -0.150 5.763 1.00 0.41 N ATOM 118 C4 DG A 4 0.974 0.367 4.874 1.00 0.33 C ATOM 0 H5' DG A 4 5.156 4.422 6.802 1.00 0.36 H new ATOM 0 H5'' DG A 4 6.352 3.413 7.590 1.00 0.36 H new ATOM 0 H4' DG A 4 4.280 3.133 8.445 1.00 0.31 H new ATOM 0 H3' DG A 4 5.652 0.877 8.270 1.00 0.30 H new ATOM 0 H2' DG A 4 4.810 0.626 5.832 1.00 0.31 H new ATOM 0 H2'' DG A 4 4.068 -0.646 6.783 1.00 0.31 H new ATOM 0 H1' DG A 4 2.026 0.719 7.196 1.00 0.31 H new ATOM 0 H8 DG A 4 3.677 1.799 3.862 1.00 0.30 H new ATOM 0 H1 DG A 4 -2.055 -1.017 3.450 1.00 0.37 H new ATOM 0 H21 DG A 4 -1.894 -1.208 6.887 1.00 0.57 H new ATOM 0 H22 DG A 4 -2.805 -1.526 5.407 1.00 0.57 H new ATOM 130 P DG A 5 4.428 -0.427 10.147 1.00 0.54 P ATOM 131 OP1 DG A 5 3.638 -0.371 11.401 1.00 0.79 O ATOM 132 OP2 DG A 5 5.906 -0.345 10.193 1.00 0.73 O ATOM 133 O5' DG A 5 3.993 -1.743 9.298 1.00 0.55 O ATOM 134 C5' DG A 5 2.600 -2.094 9.104 1.00 0.43 C ATOM 135 C4' DG A 5 2.341 -3.148 7.962 1.00 0.37 C ATOM 136 O4' DG A 5 2.593 -2.667 6.610 1.00 0.39 O ATOM 137 C3' DG A 5 3.040 -4.513 8.000 1.00 0.36 C ATOM 138 O3' DG A 5 2.213 -5.611 7.557 1.00 0.40 O ATOM 139 C2' DG A 5 4.129 -4.309 6.960 1.00 0.38 C ATOM 140 C1' DG A 5 3.318 -3.656 5.837 1.00 0.33 C ATOM 141 N9 DG A 5 4.160 -3.032 4.763 1.00 0.32 N ATOM 142 C8 DG A 5 5.486 -2.657 4.817 1.00 0.37 C ATOM 143 N7 DG A 5 5.944 -2.124 3.726 1.00 0.38 N ATOM 144 C5 DG A 5 4.862 -2.139 2.858 1.00 0.34 C ATOM 145 C6 DG A 5 4.774 -1.682 1.506 1.00 0.37 C ATOM 146 O6 DG A 5 5.630 -1.166 0.793 1.00 0.43 O ATOM 147 N1 DG A 5 3.513 -1.888 1.008 1.00 0.32 N ATOM 148 C2 DG A 5 2.486 -2.450 1.705 1.00 0.28 C ATOM 149 N2 DG A 5 1.372 -2.583 1.045 1.00 0.29 N ATOM 150 N3 DG A 5 2.532 -2.882 2.958 1.00 0.28 N ATOM 151 C4 DG A 5 3.763 -2.694 3.479 1.00 0.30 C ATOM 0 H5' DG A 5 2.039 -1.187 8.877 1.00 0.43 H new ATOM 0 H5'' DG A 5 2.205 -2.488 10.040 1.00 0.43 H new ATOM 0 H4' DG A 5 1.287 -3.293 8.199 1.00 0.37 H new ATOM 0 H3' DG A 5 3.350 -4.776 9.011 1.00 0.36 H new ATOM 0 H2' DG A 5 4.932 -3.666 7.320 1.00 0.38 H new ATOM 0 H2'' DG A 5 4.588 -5.248 6.649 1.00 0.38 H new ATOM 0 H1' DG A 5 2.705 -4.353 5.265 1.00 0.33 H new ATOM 0 H8 DG A 5 6.095 -2.796 5.698 1.00 0.37 H new ATOM 0 H1 DG A 5 3.331 -1.600 0.047 1.00 0.32 H new ATOM 0 H21 DG A 5 0.557 -2.996 1.498 1.00 0.29 H new ATOM 0 H22 DG A 5 1.314 -2.275 0.074 1.00 0.29 H new ATOM 163 P DA A 6 2.337 -7.095 8.176 1.00 0.48 P ATOM 164 OP1 DA A 6 2.774 -6.974 9.584 1.00 0.63 O ATOM 165 OP2 DA A 6 3.114 -7.924 7.226 1.00 0.59 O ATOM 166 O5' DA A 6 0.788 -7.612 8.163 1.00 0.47 O ATOM 167 C5' DA A 6 -0.292 -7.188 9.041 1.00 0.51 C ATOM 168 C4' DA A 6 -1.691 -7.393 8.376 1.00 0.45 C ATOM 169 O4' DA A 6 -1.764 -6.589 7.179 1.00 0.40 O ATOM 170 C3' DA A 6 -1.991 -8.813 7.891 1.00 0.38 C ATOM 171 O3' DA A 6 -2.413 -9.796 8.878 1.00 0.58 O ATOM 172 C2' DA A 6 -2.985 -8.585 6.745 1.00 0.37 C ATOM 173 C1' DA A 6 -2.366 -7.320 6.094 1.00 0.34 C ATOM 174 N9 DA A 6 -1.402 -7.471 4.959 1.00 0.29 N ATOM 175 C8 DA A 6 -0.061 -7.170 4.897 1.00 0.29 C ATOM 176 N7 DA A 6 0.498 -7.434 3.744 1.00 0.28 N ATOM 177 C5 DA A 6 -0.541 -7.944 2.979 1.00 0.27 C ATOM 178 C6 DA A 6 -0.611 -8.415 1.655 1.00 0.29 C ATOM 179 N6 DA A 6 0.424 -8.463 0.819 1.00 0.28 N ATOM 180 N1 DA A 6 -1.801 -8.841 1.226 1.00 0.34 N ATOM 181 C2 DA A 6 -2.852 -8.811 2.033 1.00 0.36 C ATOM 182 N3 DA A 6 -2.910 -8.398 3.293 1.00 0.34 N ATOM 183 C4 DA A 6 -1.700 -7.969 3.707 1.00 0.29 C ATOM 0 H5' DA A 6 -0.161 -6.137 9.297 1.00 0.51 H new ATOM 0 H5'' DA A 6 -0.246 -7.751 9.973 1.00 0.51 H new ATOM 0 H4' DA A 6 -2.399 -7.131 9.162 1.00 0.45 H new ATOM 0 H3' DA A 6 -1.071 -9.310 7.583 1.00 0.38 H new ATOM 0 H2' DA A 6 -3.027 -9.429 6.057 1.00 0.37 H new ATOM 0 H2'' DA A 6 -4.000 -8.414 7.103 1.00 0.37 H new ATOM 0 H1' DA A 6 -3.185 -6.815 5.582 1.00 0.34 H new ATOM 0 H8 DA A 6 0.484 -6.751 5.730 1.00 0.29 H new ATOM 0 H61 DA A 6 0.298 -8.818 -0.129 1.00 0.28 H new ATOM 0 H62 DA A 6 1.343 -8.145 1.126 1.00 0.28 H new ATOM 0 H2 DA A 6 -3.780 -9.168 1.611 1.00 0.36 H new ATOM 195 P DT A 7 -3.926 -10.337 9.161 1.00 0.65 P ATOM 196 OP1 DT A 7 -4.867 -9.199 9.033 1.00 0.74 O ATOM 197 OP2 DT A 7 -3.920 -11.186 10.375 1.00 0.85 O ATOM 198 O5' DT A 7 -4.038 -11.283 7.864 1.00 0.64 O ATOM 199 C5' DT A 7 -5.224 -11.382 7.085 1.00 0.79 C ATOM 200 C4' DT A 7 -5.002 -12.028 5.733 1.00 0.87 C ATOM 201 O4' DT A 7 -4.102 -11.310 4.880 1.00 0.79 O ATOM 202 C3' DT A 7 -4.458 -13.440 5.733 1.00 0.99 C ATOM 203 O3' DT A 7 -5.429 -14.416 6.092 1.00 1.20 O ATOM 204 C2' DT A 7 -3.848 -13.637 4.326 1.00 1.11 C ATOM 205 C1' DT A 7 -3.575 -12.184 3.848 1.00 1.00 C ATOM 206 N1 DT A 7 -2.136 -11.856 3.691 1.00 0.98 N ATOM 207 C2 DT A 7 -1.592 -11.725 2.413 1.00 1.21 C ATOM 208 O2 DT A 7 -2.242 -11.862 1.379 1.00 1.38 O ATOM 209 N3 DT A 7 -0.254 -11.424 2.355 1.00 1.33 N ATOM 210 C4 DT A 7 0.590 -11.242 3.434 1.00 1.26 C ATOM 211 O4 DT A 7 1.769 -10.974 3.220 1.00 1.52 O ATOM 212 C5 DT A 7 -0.049 -11.393 4.738 1.00 0.99 C ATOM 213 C7 DT A 7 0.752 -11.209 6.037 1.00 0.97 C ATOM 214 C6 DT A 7 -1.367 -11.690 4.812 1.00 0.84 C ATOM 0 H5' DT A 7 -5.639 -10.385 6.939 1.00 0.79 H new ATOM 0 H5'' DT A 7 -5.966 -11.958 7.638 1.00 0.79 H new ATOM 0 H4' DT A 7 -6.030 -12.021 5.370 1.00 0.87 H new ATOM 0 H3' DT A 7 -3.700 -13.580 6.503 1.00 0.99 H new ATOM 0 H2' DT A 7 -2.932 -14.227 4.364 1.00 1.11 H new ATOM 0 H2'' DT A 7 -4.535 -14.157 3.659 1.00 1.11 H new ATOM 0 HO3' DT A 7 -5.020 -15.307 6.073 1.00 1.20 H new ATOM 0 H1' DT A 7 -4.037 -12.064 2.868 1.00 1.00 H new ATOM 0 H3 DT A 7 0.157 -11.325 1.427 1.00 1.33 H new ATOM 0 H71 DT A 7 1.790 -11.495 5.868 1.00 0.97 H new ATOM 0 H72 DT A 7 0.709 -10.165 6.346 1.00 0.97 H new ATOM 0 H73 DT A 7 0.326 -11.837 6.819 1.00 0.97 H new ATOM 0 H6 DT A 7 -1.826 -11.799 5.783 1.00 0.84 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.694 -2.792 -2.467 1.00 0.82 O ATOM 230 C5' DG B 1 -7.944 -2.144 -1.441 1.00 0.65 C ATOM 231 C4' DG B 1 -6.480 -1.808 -1.913 1.00 0.48 C ATOM 232 O4' DG B 1 -5.661 -1.208 -0.887 1.00 0.41 O ATOM 233 C3' DG B 1 -5.544 -2.830 -2.564 1.00 0.45 C ATOM 234 O3' DG B 1 -4.727 -2.185 -3.559 1.00 0.49 O ATOM 235 C2' DG B 1 -4.646 -3.279 -1.406 1.00 0.33 C ATOM 236 C1' DG B 1 -4.418 -1.920 -0.731 1.00 0.31 C ATOM 237 N9 DG B 1 -4.246 -1.922 0.745 1.00 0.29 N ATOM 238 C8 DG B 1 -3.365 -1.200 1.514 1.00 0.30 C ATOM 239 N7 DG B 1 -3.490 -1.404 2.794 1.00 0.35 N ATOM 240 C5 DG B 1 -4.516 -2.324 2.895 1.00 0.36 C ATOM 241 C6 DG B 1 -5.086 -2.917 4.050 1.00 0.44 C ATOM 242 O6 DG B 1 -4.775 -2.745 5.223 1.00 0.50 O ATOM 243 N1 DG B 1 -6.100 -3.791 3.723 1.00 0.52 N ATOM 244 C2 DG B 1 -6.514 -4.065 2.445 1.00 0.56 C ATOM 245 N2 DG B 1 -7.504 -4.932 2.305 1.00 0.74 N ATOM 246 N3 DG B 1 -5.986 -3.516 1.358 1.00 0.50 N ATOM 247 C4 DG B 1 -4.990 -2.652 1.652 1.00 0.37 C ATOM 0 H5' DG B 1 -7.904 -2.784 -0.560 1.00 0.65 H new ATOM 0 H5'' DG B 1 -8.451 -1.225 -1.145 1.00 0.65 H new ATOM 0 H4' DG B 1 -6.824 -1.165 -2.723 1.00 0.48 H new ATOM 0 H3' DG B 1 -6.081 -3.645 -3.049 1.00 0.45 H new ATOM 0 H2' DG B 1 -5.136 -3.998 -0.749 1.00 0.33 H new ATOM 0 H2'' DG B 1 -3.719 -3.739 -1.747 1.00 0.33 H new ATOM 0 HO5' DG B 1 -9.597 -2.987 -2.139 1.00 0.82 H new ATOM 0 H1' DG B 1 -3.510 -1.521 -1.183 1.00 0.31 H new ATOM 0 H8 DG B 1 -2.635 -0.524 1.094 1.00 0.30 H new ATOM 0 H1 DG B 1 -6.577 -4.269 4.487 1.00 0.52 H new ATOM 0 H21 DG B 1 -7.847 -5.168 1.374 1.00 0.74 H new ATOM 0 H22 DG B 1 -7.924 -5.364 3.128 1.00 0.74 H new ATOM 260 P DG B 2 -4.198 -2.936 -4.878 1.00 0.57 P ATOM 261 OP1 DG B 2 -3.711 -1.898 -5.817 1.00 0.73 O ATOM 262 OP2 DG B 2 -5.258 -3.876 -5.320 1.00 0.78 O ATOM 263 O5' DG B 2 -2.929 -3.794 -4.327 1.00 0.41 O ATOM 264 C5' DG B 2 -1.618 -3.208 -4.138 1.00 0.34 C ATOM 265 C4' DG B 2 -0.736 -3.876 -2.974 1.00 0.29 C ATOM 266 O4' DG B 2 -1.359 -3.800 -1.656 1.00 0.32 O ATOM 267 C3' DG B 2 -0.360 -5.395 -3.098 1.00 0.28 C ATOM 268 O3' DG B 2 0.850 -6.001 -2.572 1.00 0.29 O ATOM 269 C2' DG B 2 -1.397 -5.991 -2.176 1.00 0.30 C ATOM 270 C1' DG B 2 -1.158 -5.061 -0.980 1.00 0.29 C ATOM 271 N9 DG B 2 -2.095 -5.358 0.142 1.00 0.29 N ATOM 272 C8 DG B 2 -3.321 -5.991 0.078 1.00 0.34 C ATOM 273 N7 DG B 2 -3.923 -6.102 1.213 1.00 0.35 N ATOM 274 C5 DG B 2 -3.056 -5.515 2.116 1.00 0.30 C ATOM 275 C6 DG B 2 -3.208 -5.357 3.513 1.00 0.32 C ATOM 276 O6 DG B 2 -4.131 -5.712 4.245 1.00 0.37 O ATOM 277 N1 DG B 2 -2.122 -4.724 4.049 1.00 0.31 N ATOM 278 C2 DG B 2 -1.024 -4.292 3.360 1.00 0.31 C ATOM 279 N2 DG B 2 -0.086 -3.749 4.115 1.00 0.35 N ATOM 280 N3 DG B 2 -0.857 -4.423 2.048 1.00 0.30 N ATOM 281 C4 DG B 2 -1.925 -5.052 1.483 1.00 0.28 C ATOM 0 H5' DG B 2 -1.739 -2.147 -3.918 1.00 0.34 H new ATOM 0 H5'' DG B 2 -1.067 -3.278 -5.076 1.00 0.34 H new ATOM 0 H4' DG B 2 0.160 -3.268 -3.095 1.00 0.29 H new ATOM 0 H3' DG B 2 -0.265 -5.554 -4.172 1.00 0.28 H new ATOM 0 H2' DG B 2 -2.410 -5.926 -2.573 1.00 0.30 H new ATOM 0 H2'' DG B 2 -1.212 -7.040 -1.946 1.00 0.30 H new ATOM 0 H1' DG B 2 -0.200 -5.131 -0.466 1.00 0.29 H new ATOM 0 H8 DG B 2 -3.740 -6.362 -0.845 1.00 0.34 H new ATOM 0 H1 DG B 2 -2.132 -4.559 5.056 1.00 0.31 H new ATOM 0 H21 DG B 2 0.771 -3.397 3.689 1.00 0.35 H new ATOM 0 H22 DG B 2 -0.219 -3.682 5.124 1.00 0.35 H new ATOM 293 P DA B 3 1.325 -7.485 -3.067 1.00 0.35 P ATOM 294 OP1 DA B 3 0.528 -7.867 -4.257 1.00 0.52 O ATOM 295 OP2 DA B 3 1.380 -8.372 -1.882 1.00 0.45 O ATOM 296 O5' DA B 3 2.825 -7.103 -3.529 1.00 0.37 O ATOM 297 C5' DA B 3 3.036 -5.908 -4.308 1.00 0.33 C ATOM 298 C4' DA B 3 4.037 -4.905 -3.603 1.00 0.31 C ATOM 299 O4' DA B 3 3.545 -4.612 -2.270 1.00 0.37 O ATOM 300 C3' DA B 3 5.540 -5.243 -3.365 1.00 0.40 C ATOM 301 O3' DA B 3 6.452 -4.145 -3.134 1.00 0.46 O ATOM 302 C2' DA B 3 5.456 -5.908 -2.006 1.00 0.39 C ATOM 303 C1' DA B 3 4.551 -4.914 -1.281 1.00 0.34 C ATOM 304 N9 DA B 3 3.950 -5.572 -0.103 1.00 0.31 N ATOM 305 C8 DA B 3 2.872 -6.401 -0.042 1.00 0.34 C ATOM 306 N7 DA B 3 2.615 -6.868 1.149 1.00 0.34 N ATOM 307 C5 DA B 3 3.603 -6.297 1.938 1.00 0.32 C ATOM 308 C6 DA B 3 3.898 -6.383 3.304 1.00 0.33 C ATOM 309 N6 DA B 3 3.190 -7.094 4.164 1.00 0.36 N ATOM 310 N1 DA B 3 4.943 -5.687 3.748 1.00 0.35 N ATOM 311 C2 DA B 3 5.641 -4.959 2.891 1.00 0.35 C ATOM 312 N3 DA B 3 5.472 -4.796 1.591 1.00 0.34 N ATOM 313 C4 DA B 3 4.415 -5.506 1.176 1.00 0.31 C ATOM 0 H5' DA B 3 2.081 -5.410 -4.472 1.00 0.33 H new ATOM 0 H5'' DA B 3 3.427 -6.180 -5.289 1.00 0.33 H new ATOM 0 H4' DA B 3 4.046 -4.121 -4.360 1.00 0.31 H new ATOM 0 H3' DA B 3 5.918 -5.765 -4.244 1.00 0.40 H new ATOM 0 H2' DA B 3 5.022 -6.907 -2.057 1.00 0.39 H new ATOM 0 H2'' DA B 3 6.431 -6.008 -1.530 1.00 0.39 H new ATOM 0 H1' DA B 3 5.064 -4.024 -0.917 1.00 0.34 H new ATOM 0 H8 DA B 3 2.278 -6.652 -0.908 1.00 0.34 H new ATOM 0 H61 DA B 3 3.456 -7.116 5.148 1.00 0.36 H new ATOM 0 H62 DA B 3 2.377 -7.620 3.843 1.00 0.36 H new ATOM 0 H2 DA B 3 6.472 -4.418 3.318 1.00 0.35 H new ATOM 325 P DG B 4 7.375 -3.389 -4.227 1.00 0.58 P ATOM 326 OP1 DG B 4 8.068 -4.413 -5.044 1.00 0.73 O ATOM 327 OP2 DG B 4 8.170 -2.374 -3.497 1.00 0.94 O ATOM 328 O5' DG B 4 6.282 -2.607 -5.146 1.00 0.56 O ATOM 329 C5' DG B 4 5.855 -3.067 -6.446 1.00 0.35 C ATOM 330 C4' DG B 4 4.699 -2.277 -7.107 1.00 0.30 C ATOM 331 O4' DG B 4 3.484 -2.276 -6.321 1.00 0.34 O ATOM 332 C3' DG B 4 4.894 -0.826 -7.530 1.00 0.30 C ATOM 333 O3' DG B 4 4.161 -0.469 -8.727 1.00 0.38 O ATOM 334 C2' DG B 4 4.336 -0.176 -6.271 1.00 0.30 C ATOM 335 C1' DG B 4 3.009 -0.928 -6.148 1.00 0.30 C ATOM 336 N9 DG B 4 2.368 -0.791 -4.811 1.00 0.30 N ATOM 337 C8 DG B 4 2.883 -1.129 -3.584 1.00 0.31 C ATOM 338 N7 DG B 4 2.092 -0.883 -2.578 1.00 0.34 N ATOM 339 C5 DG B 4 0.964 -0.337 -3.183 1.00 0.33 C ATOM 340 C6 DG B 4 -0.238 0.128 -2.595 1.00 0.37 C ATOM 341 O6 DG B 4 -0.551 0.151 -1.411 1.00 0.43 O ATOM 342 N1 DG B 4 -1.117 0.597 -3.539 1.00 0.39 N ATOM 343 C2 DG B 4 -0.890 0.625 -4.884 1.00 0.44 C ATOM 344 N2 DG B 4 -1.875 1.104 -5.624 1.00 0.59 N ATOM 345 N3 DG B 4 0.229 0.197 -5.462 1.00 0.42 N ATOM 346 C4 DG B 4 1.118 -0.274 -4.548 1.00 0.34 C ATOM 0 H5' DG B 4 5.550 -4.110 -6.357 1.00 0.35 H new ATOM 0 H5'' DG B 4 6.714 -3.042 -7.117 1.00 0.35 H new ATOM 0 H4' DG B 4 4.653 -2.863 -8.025 1.00 0.30 H new ATOM 0 H3' DG B 4 5.908 -0.543 -7.812 1.00 0.30 H new ATOM 0 H2' DG B 4 4.981 -0.325 -5.405 1.00 0.30 H new ATOM 0 H2'' DG B 4 4.197 0.899 -6.384 1.00 0.30 H new ATOM 0 H1' DG B 4 2.246 -0.577 -6.842 1.00 0.30 H new ATOM 0 H8 DG B 4 3.864 -1.564 -3.462 1.00 0.31 H new ATOM 0 H1 DG B 4 -2.013 0.954 -3.208 1.00 0.39 H new ATOM 0 H21 DG B 4 -1.773 1.154 -6.638 1.00 0.59 H new ATOM 0 H22 DG B 4 -2.737 1.423 -5.181 1.00 0.59 H new ATOM 358 P DG B 5 4.668 0.698 -9.726 1.00 0.55 P ATOM 359 OP1 DG B 5 3.916 0.602 -11.000 1.00 0.79 O ATOM 360 OP2 DG B 5 6.149 0.690 -9.734 1.00 0.76 O ATOM 361 O5' DG B 5 4.143 1.988 -8.891 1.00 0.55 O ATOM 362 C5' DG B 5 2.729 2.268 -8.734 1.00 0.45 C ATOM 363 C4' DG B 5 2.386 3.308 -7.602 1.00 0.36 C ATOM 364 O4' DG B 5 2.625 2.842 -6.242 1.00 0.39 O ATOM 365 C3' DG B 5 3.017 4.707 -7.623 1.00 0.36 C ATOM 366 O3' DG B 5 2.124 5.761 -7.200 1.00 0.40 O ATOM 367 C2' DG B 5 4.088 4.557 -6.556 1.00 0.38 C ATOM 368 C1' DG B 5 3.280 3.864 -5.453 1.00 0.32 C ATOM 369 N9 DG B 5 4.123 3.285 -4.354 1.00 0.32 N ATOM 370 C8 DG B 5 5.468 2.977 -4.374 1.00 0.38 C ATOM 371 N7 DG B 5 5.923 2.466 -3.271 1.00 0.40 N ATOM 372 C5 DG B 5 4.818 2.426 -2.430 1.00 0.35 C ATOM 373 C6 DG B 5 4.719 1.962 -1.080 1.00 0.36 C ATOM 374 O6 DG B 5 5.581 1.491 -0.345 1.00 0.43 O ATOM 375 N1 DG B 5 3.436 2.102 -0.617 1.00 0.31 N ATOM 376 C2 DG B 5 2.401 2.611 -1.343 1.00 0.28 C ATOM 377 N2 DG B 5 1.264 2.685 -0.707 1.00 0.27 N ATOM 378 N3 DG B 5 2.456 3.049 -2.594 1.00 0.28 N ATOM 379 C4 DG B 5 3.708 2.924 -3.081 1.00 0.30 C ATOM 0 H5' DG B 5 2.209 1.334 -8.520 1.00 0.45 H new ATOM 0 H5'' DG B 5 2.339 2.640 -9.681 1.00 0.45 H new ATOM 0 H4' DG B 5 1.333 3.399 -7.869 1.00 0.36 H new ATOM 0 H3' DG B 5 3.339 4.986 -8.626 1.00 0.36 H new ATOM 0 H2' DG B 5 4.931 3.954 -6.895 1.00 0.38 H new ATOM 0 H2'' DG B 5 4.492 5.517 -6.235 1.00 0.38 H new ATOM 0 H1' DG B 5 2.618 4.529 -4.899 1.00 0.32 H new ATOM 0 H8 DG B 5 6.092 3.148 -5.239 1.00 0.38 H new ATOM 0 H1 DG B 5 3.242 1.804 0.339 1.00 0.31 H new ATOM 0 H21 DG B 5 0.439 3.055 -1.179 1.00 0.27 H new ATOM 0 H22 DG B 5 1.201 2.373 0.262 1.00 0.27 H new ATOM 391 P DA B 6 2.189 7.251 -7.818 1.00 0.47 P ATOM 392 OP1 DA B 6 2.671 7.153 -9.213 1.00 0.62 O ATOM 393 OP2 DA B 6 2.898 8.118 -6.847 1.00 0.62 O ATOM 394 O5' DA B 6 0.619 7.686 -7.850 1.00 0.47 O ATOM 395 C5' DA B 6 -0.410 7.199 -8.755 1.00 0.51 C ATOM 396 C4' DA B 6 -1.832 7.335 -8.130 1.00 0.45 C ATOM 397 O4' DA B 6 -1.890 6.527 -6.934 1.00 0.39 O ATOM 398 C3' DA B 6 -2.214 8.737 -7.657 1.00 0.40 C ATOM 399 O3' DA B 6 -2.674 9.705 -8.643 1.00 0.59 O ATOM 400 C2' DA B 6 -3.216 8.426 -6.550 1.00 0.40 C ATOM 401 C1' DA B 6 -2.555 7.223 -5.866 1.00 0.35 C ATOM 402 N9 DA B 6 -1.643 7.431 -4.702 1.00 0.28 N ATOM 403 C8 DA B 6 -0.292 7.198 -4.600 1.00 0.25 C ATOM 404 N7 DA B 6 0.217 7.489 -3.433 1.00 0.25 N ATOM 405 C5 DA B 6 -0.869 7.946 -2.699 1.00 0.26 C ATOM 406 C6 DA B 6 -1.000 8.412 -1.377 1.00 0.28 C ATOM 407 N6 DA B 6 0.006 8.509 -0.511 1.00 0.30 N ATOM 408 N1 DA B 6 -2.221 8.778 -0.983 1.00 0.33 N ATOM 409 C2 DA B 6 -3.245 8.694 -1.821 1.00 0.35 C ATOM 410 N3 DA B 6 -3.247 8.279 -3.081 1.00 0.33 N ATOM 411 C4 DA B 6 -2.004 7.913 -3.462 1.00 0.28 C ATOM 0 H5' DA B 6 -0.217 6.154 -8.999 1.00 0.51 H new ATOM 0 H5'' DA B 6 -0.368 7.757 -9.690 1.00 0.51 H new ATOM 0 H4' DA B 6 -2.509 7.040 -8.932 1.00 0.45 H new ATOM 0 H3' DA B 6 -1.333 9.294 -7.339 1.00 0.40 H new ATOM 0 H2' DA B 6 -3.346 9.265 -5.867 1.00 0.40 H new ATOM 0 H2'' DA B 6 -4.202 8.182 -6.946 1.00 0.40 H new ATOM 0 H1' DA B 6 -3.351 6.678 -5.359 1.00 0.35 H new ATOM 0 H8 DA B 6 0.298 6.807 -5.416 1.00 0.25 H new ATOM 0 H61 DA B 6 -0.165 8.856 0.433 1.00 0.30 H new ATOM 0 H62 DA B 6 0.948 8.236 -0.791 1.00 0.30 H new ATOM 0 H2 DA B 6 -4.202 9.004 -1.427 1.00 0.35 H new ATOM 423 P DT B 7 -4.210 10.164 -8.967 1.00 0.65 P ATOM 424 OP1 DT B 7 -5.088 8.974 -8.874 1.00 0.74 O ATOM 425 OP2 DT B 7 -4.212 11.018 -10.178 1.00 0.86 O ATOM 426 O5' DT B 7 -4.433 11.096 -7.672 1.00 0.65 O ATOM 427 C5' DT B 7 -5.667 11.168 -6.953 1.00 0.81 C ATOM 428 C4' DT B 7 -5.483 11.863 -5.578 1.00 0.89 C ATOM 429 O4' DT B 7 -4.603 11.151 -4.685 1.00 0.79 O ATOM 430 C3' DT B 7 -4.951 13.247 -5.562 1.00 1.00 C ATOM 431 O3' DT B 7 -5.967 14.152 -5.906 1.00 1.24 O ATOM 432 C2' DT B 7 -4.362 13.471 -4.158 1.00 1.10 C ATOM 433 C1' DT B 7 -4.094 12.034 -3.653 1.00 0.98 C ATOM 434 N1 DT B 7 -2.645 11.776 -3.456 1.00 0.98 N ATOM 435 C2 DT B 7 -2.129 11.663 -2.164 1.00 1.23 C ATOM 436 O2 DT B 7 -2.810 11.764 -1.149 1.00 1.38 O ATOM 437 N3 DT B 7 -0.778 11.429 -2.073 1.00 1.34 N ATOM 438 C4 DT B 7 0.101 11.297 -3.132 1.00 1.26 C ATOM 439 O4 DT B 7 1.286 11.087 -2.887 1.00 1.50 O ATOM 440 C5 DT B 7 -0.509 11.425 -4.454 1.00 0.98 C ATOM 441 C7 DT B 7 0.338 11.284 -5.730 1.00 0.97 C ATOM 442 C6 DT B 7 -1.841 11.658 -4.558 1.00 0.84 C ATOM 0 H5' DT B 7 -6.062 10.163 -6.804 1.00 0.81 H new ATOM 0 H5'' DT B 7 -6.402 11.715 -7.543 1.00 0.81 H new ATOM 0 H4' DT B 7 -6.527 11.873 -5.264 1.00 0.89 H new ATOM 0 H3' DT B 7 -4.165 13.408 -6.299 1.00 1.00 H new ATOM 0 H2' DT B 7 -3.447 14.062 -4.195 1.00 1.10 H new ATOM 0 H2'' DT B 7 -5.058 14.002 -3.509 1.00 1.10 H new ATOM 0 HO3' DT B 7 -5.611 15.065 -5.892 1.00 1.24 H new ATOM 0 H1' DT B 7 -4.575 11.878 -2.688 1.00 0.98 H new ATOM 0 H3 DT B 7 -0.386 11.345 -1.135 1.00 1.34 H new ATOM 0 H71 DT B 7 1.356 11.616 -5.529 1.00 0.97 H new ATOM 0 H72 DT B 7 0.352 10.240 -6.044 1.00 0.97 H new ATOM 0 H73 DT B 7 -0.094 11.895 -6.523 1.00 0.97 H new ATOM 0 H6 DT B 7 -2.281 11.753 -5.540 1.00 0.84 H new TER 456 DT B 7