USER MOD reduce.3.24.130724 H: found=0, std=0, add=249, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 274 hydrogens (25 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 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT O5' : rot -83:sc= 1.13 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 14 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 19 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 23 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 25 DA O3' : rot -43:sc= 0.0129 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DT A 4 5.953 -9.172 -12.368 1.00 0.97 O ATOM 2 C5' DT A 4 6.310 -10.160 -11.398 1.00 0.96 C ATOM 3 C4' DT A 4 7.806 -10.216 -11.185 1.00 0.84 C ATOM 4 O4' DT A 4 8.079 -10.857 -9.913 1.00 0.86 O ATOM 5 C3' DT A 4 8.575 -11.021 -12.236 1.00 0.83 C ATOM 6 O3' DT A 4 9.836 -10.401 -12.513 1.00 0.76 O ATOM 7 C2' DT A 4 8.779 -12.370 -11.571 1.00 0.88 C ATOM 8 C1' DT A 4 8.902 -11.996 -10.104 1.00 0.84 C ATOM 9 N1 DT A 4 8.455 -13.045 -9.166 1.00 0.91 N ATOM 10 C2 DT A 4 7.120 -13.384 -9.153 1.00 1.04 C ATOM 11 O2 DT A 4 6.291 -12.861 -9.880 1.00 1.13 O ATOM 12 N3 DT A 4 6.787 -14.363 -8.253 1.00 1.11 N ATOM 13 C4 DT A 4 7.635 -15.021 -7.385 1.00 1.08 C ATOM 14 O4 DT A 4 7.189 -15.882 -6.631 1.00 1.19 O ATOM 15 C5 DT A 4 9.021 -14.617 -7.451 1.00 0.98 C ATOM 16 C7 DT A 4 10.011 -15.277 -6.543 1.00 1.04 C ATOM 17 C6 DT A 4 9.363 -13.660 -8.327 1.00 0.89 C ATOM 0 H5' DT A 4 5.951 -11.137 -11.724 1.00 0.96 H new ATOM 0 H5'' DT A 4 5.815 -9.938 -10.452 1.00 0.96 H new ATOM 0 H4' DT A 4 8.139 -9.180 -11.240 1.00 0.84 H new ATOM 0 H3' DT A 4 8.051 -11.093 -13.189 1.00 0.83 H new ATOM 0 H2' DT A 4 7.940 -13.042 -11.750 1.00 0.88 H new ATOM 0 H2'' DT A 4 9.674 -12.873 -11.938 1.00 0.88 H new ATOM 0 HO5' DT A 4 5.915 -8.291 -11.939 1.00 0.97 H new ATOM 0 H1' DT A 4 9.957 -11.828 -9.890 1.00 0.84 H new ATOM 0 H3 DT A 4 5.804 -14.635 -8.221 1.00 1.11 H new ATOM 0 H71 DT A 4 10.989 -15.296 -7.023 1.00 1.04 H new ATOM 0 H72 DT A 4 10.076 -14.719 -5.609 1.00 1.04 H new ATOM 0 H73 DT A 4 9.690 -16.297 -6.335 1.00 1.04 H new ATOM 0 H6 DT A 4 10.398 -13.356 -8.378 1.00 0.89 H new ATOM 31 P DG A 5 10.039 -9.581 -13.881 1.00 0.79 P ATOM 32 OP1 DG A 5 8.835 -8.732 -14.075 1.00 1.03 O ATOM 33 OP2 DG A 5 10.439 -10.539 -14.943 1.00 0.88 O ATOM 34 O5' DG A 5 11.278 -8.625 -13.578 1.00 0.78 O ATOM 35 C5' DG A 5 11.130 -7.205 -13.584 1.00 0.70 C ATOM 36 C4' DG A 5 12.468 -6.540 -13.359 1.00 0.75 C ATOM 37 O4' DG A 5 13.081 -7.098 -12.169 1.00 0.82 O ATOM 38 C3' DG A 5 13.485 -6.743 -14.485 1.00 0.78 C ATOM 39 O3' DG A 5 14.308 -5.580 -14.629 1.00 0.81 O ATOM 40 C2' DG A 5 14.306 -7.923 -14.002 1.00 0.80 C ATOM 41 C1' DG A 5 14.315 -7.721 -12.497 1.00 0.75 C ATOM 42 N9 DG A 5 14.416 -8.958 -11.724 1.00 0.76 N ATOM 43 C8 DG A 5 13.381 -9.713 -11.230 1.00 0.95 C ATOM 44 N7 DG A 5 13.780 -10.769 -10.576 1.00 0.94 N ATOM 45 C5 DG A 5 15.165 -10.708 -10.642 1.00 0.78 C ATOM 46 C6 DG A 5 16.149 -11.584 -10.113 1.00 0.84 C ATOM 47 O6 DG A 5 15.983 -12.621 -9.459 1.00 0.93 O ATOM 48 N1 DG A 5 17.441 -11.154 -10.408 1.00 0.90 N ATOM 49 C2 DG A 5 17.737 -10.018 -11.125 1.00 0.87 C ATOM 50 N2 DG A 5 19.041 -9.762 -11.312 1.00 1.10 N ATOM 51 N3 DG A 5 16.830 -9.194 -11.624 1.00 0.72 N ATOM 52 C4 DG A 5 15.574 -9.597 -11.346 1.00 0.70 C ATOM 0 H5' DG A 5 10.430 -6.902 -12.806 1.00 0.70 H new ATOM 0 H5'' DG A 5 10.710 -6.880 -14.536 1.00 0.70 H new ATOM 0 H4' DG A 5 12.244 -5.476 -13.288 1.00 0.75 H new ATOM 0 H3' DG A 5 13.024 -6.913 -15.458 1.00 0.78 H new ATOM 0 H2' DG A 5 13.853 -8.874 -14.281 1.00 0.80 H new ATOM 0 H2'' DG A 5 15.313 -7.915 -14.419 1.00 0.80 H new ATOM 0 H1' DG A 5 15.195 -7.130 -12.244 1.00 0.75 H new ATOM 0 H8 DG A 5 12.341 -9.458 -11.369 1.00 0.95 H new ATOM 0 H1 DG A 5 18.220 -11.719 -10.070 1.00 0.90 H new ATOM 0 H21 DG A 5 19.328 -8.935 -11.835 1.00 1.10 H new ATOM 0 H22 DG A 5 19.745 -10.394 -10.931 1.00 1.10 H new ATOM 64 P DA A 6 13.997 -4.519 -15.797 1.00 0.75 P ATOM 65 OP1 DA A 6 13.898 -5.275 -17.071 1.00 0.77 O ATOM 66 OP2 DA A 6 14.969 -3.401 -15.682 1.00 0.87 O ATOM 67 O5' DA A 6 12.547 -3.962 -15.438 1.00 0.79 O ATOM 68 C5' DA A 6 12.384 -2.849 -14.559 1.00 0.73 C ATOM 69 C4' DA A 6 10.915 -2.579 -14.329 1.00 0.68 C ATOM 70 O4' DA A 6 10.320 -3.723 -13.696 1.00 0.63 O ATOM 71 C3' DA A 6 10.613 -1.400 -13.400 1.00 0.73 C ATOM 72 O3' DA A 6 10.224 -0.256 -14.168 1.00 0.91 O ATOM 73 C2' DA A 6 9.449 -1.877 -12.527 1.00 0.54 C ATOM 74 C1' DA A 6 9.173 -3.303 -12.992 1.00 0.56 C ATOM 75 N9 DA A 6 8.936 -4.259 -11.907 1.00 0.53 N ATOM 76 C8 DA A 6 9.796 -4.616 -10.898 1.00 0.53 C ATOM 77 N7 DA A 6 9.301 -5.505 -10.072 1.00 0.56 N ATOM 78 C5 DA A 6 8.029 -5.752 -10.570 1.00 0.54 C ATOM 79 C6 DA A 6 6.994 -6.601 -10.141 1.00 0.57 C ATOM 80 N6 DA A 6 7.080 -7.392 -9.069 1.00 0.61 N ATOM 81 N1 DA A 6 5.852 -6.610 -10.861 1.00 0.62 N ATOM 82 C2 DA A 6 5.764 -5.817 -11.936 1.00 0.67 C ATOM 83 N3 DA A 6 6.666 -4.977 -12.438 1.00 0.65 N ATOM 84 C4 DA A 6 7.790 -4.991 -11.700 1.00 0.56 C ATOM 0 H5' DA A 6 12.861 -1.967 -14.985 1.00 0.73 H new ATOM 0 H5'' DA A 6 12.878 -3.051 -13.608 1.00 0.73 H new ATOM 0 H4' DA A 6 10.517 -2.352 -15.318 1.00 0.68 H new ATOM 0 H3' DA A 6 11.479 -1.107 -12.806 1.00 0.73 H new ATOM 0 H2' DA A 6 9.711 -1.849 -11.469 1.00 0.54 H new ATOM 0 H2'' DA A 6 8.572 -1.242 -12.655 1.00 0.54 H new ATOM 0 H1' DA A 6 8.262 -3.286 -13.590 1.00 0.56 H new ATOM 0 H8 DA A 6 10.788 -4.203 -10.795 1.00 0.53 H new ATOM 0 H61 DA A 6 6.293 -7.986 -8.809 1.00 0.61 H new ATOM 0 H62 DA A 6 7.933 -7.402 -8.510 1.00 0.61 H new ATOM 0 H2 DA A 6 4.828 -5.866 -12.472 1.00 0.67 H new ATOM 96 P DG A 7 10.675 1.214 -13.699 1.00 0.95 P ATOM 97 OP1 DG A 7 9.888 2.193 -14.491 1.00 1.22 O ATOM 98 OP2 DG A 7 12.159 1.277 -13.722 1.00 1.44 O ATOM 99 O5' DG A 7 10.194 1.300 -12.181 1.00 0.69 O ATOM 100 C5' DG A 7 9.540 2.466 -11.679 1.00 0.61 C ATOM 101 C4' DG A 7 8.041 2.317 -11.804 1.00 0.47 C ATOM 102 O4' DG A 7 7.673 0.950 -11.489 1.00 0.44 O ATOM 103 C3' DG A 7 7.225 3.195 -10.852 1.00 0.45 C ATOM 104 O3' DG A 7 5.998 3.597 -11.474 1.00 0.48 O ATOM 105 C2' DG A 7 6.956 2.272 -9.681 1.00 0.39 C ATOM 106 C1' DG A 7 6.809 0.924 -10.362 1.00 0.37 C ATOM 107 N9 DG A 7 7.185 -0.216 -9.530 1.00 0.35 N ATOM 108 C8 DG A 7 8.438 -0.518 -9.055 1.00 0.35 C ATOM 109 N7 DG A 7 8.467 -1.605 -8.333 1.00 0.34 N ATOM 110 C5 DG A 7 7.151 -2.048 -8.332 1.00 0.33 C ATOM 111 C6 DG A 7 6.565 -3.183 -7.715 1.00 0.34 C ATOM 112 O6 DG A 7 7.114 -4.046 -7.022 1.00 0.36 O ATOM 113 N1 DG A 7 5.196 -3.263 -7.965 1.00 0.34 N ATOM 114 C2 DG A 7 4.489 -2.354 -8.719 1.00 0.35 C ATOM 115 N2 DG A 7 3.173 -2.584 -8.848 1.00 0.38 N ATOM 116 N3 DG A 7 5.025 -1.293 -9.299 1.00 0.35 N ATOM 117 C4 DG A 7 6.349 -1.203 -9.066 1.00 0.34 C ATOM 0 H5' DG A 7 9.873 3.345 -12.231 1.00 0.61 H new ATOM 0 H5'' DG A 7 9.812 2.623 -10.635 1.00 0.61 H new ATOM 0 H4' DG A 7 7.814 2.617 -12.827 1.00 0.47 H new ATOM 0 H3' DG A 7 7.735 4.114 -10.564 1.00 0.45 H new ATOM 0 H2' DG A 7 7.775 2.278 -8.962 1.00 0.39 H new ATOM 0 H2'' DG A 7 6.054 2.555 -9.139 1.00 0.39 H new ATOM 0 H1' DG A 7 5.756 0.786 -10.608 1.00 0.37 H new ATOM 0 H8 DG A 7 9.312 0.084 -9.259 1.00 0.35 H new ATOM 0 H1 DG A 7 4.684 -4.048 -7.562 1.00 0.34 H new ATOM 0 H21 DG A 7 2.595 -1.946 -9.395 1.00 0.38 H new ATOM 0 H22 DG A 7 2.751 -3.397 -8.399 1.00 0.38 H new ATOM 129 P DG A 8 4.958 4.529 -10.675 1.00 0.48 P ATOM 130 OP1 DG A 8 4.383 5.490 -11.650 1.00 0.66 O ATOM 131 OP2 DG A 8 5.630 5.040 -9.452 1.00 0.55 O ATOM 132 O5' DG A 8 3.803 3.525 -10.228 1.00 0.42 O ATOM 133 C5' DG A 8 2.890 2.981 -11.184 1.00 0.80 C ATOM 134 C4' DG A 8 1.700 2.366 -10.483 1.00 0.57 C ATOM 135 O4' DG A 8 2.147 1.230 -9.697 1.00 0.52 O ATOM 136 C3' DG A 8 0.973 3.298 -9.506 1.00 0.48 C ATOM 137 O3' DG A 8 -0.443 3.107 -9.599 1.00 0.47 O ATOM 138 C2' DG A 8 1.484 2.856 -8.146 1.00 0.44 C ATOM 139 C1' DG A 8 1.715 1.372 -8.354 1.00 0.39 C ATOM 140 N9 DG A 8 2.736 0.789 -7.486 1.00 0.38 N ATOM 141 C8 DG A 8 4.048 1.178 -7.373 1.00 0.43 C ATOM 142 N7 DG A 8 4.724 0.469 -6.514 1.00 0.46 N ATOM 143 C5 DG A 8 3.803 -0.448 -6.027 1.00 0.43 C ATOM 144 C6 DG A 8 3.958 -1.478 -5.066 1.00 0.48 C ATOM 145 O6 DG A 8 4.975 -1.792 -4.438 1.00 0.54 O ATOM 146 N1 DG A 8 2.771 -2.180 -4.859 1.00 0.53 N ATOM 147 C2 DG A 8 1.586 -1.910 -5.507 1.00 0.55 C ATOM 148 N2 DG A 8 0.542 -2.687 -5.181 1.00 0.69 N ATOM 149 N3 DG A 8 1.431 -0.951 -6.406 1.00 0.49 N ATOM 150 C4 DG A 8 2.571 -0.264 -6.615 1.00 0.41 C ATOM 0 H5' DG A 8 3.393 2.227 -11.790 1.00 0.80 H new ATOM 0 H5'' DG A 8 2.555 3.764 -11.864 1.00 0.80 H new ATOM 0 H4' DG A 8 1.006 2.106 -11.282 1.00 0.57 H new ATOM 0 H3' DG A 8 1.156 4.354 -9.704 1.00 0.48 H new ATOM 0 H2' DG A 8 2.401 3.375 -7.868 1.00 0.44 H new ATOM 0 H2'' DG A 8 0.757 3.048 -7.357 1.00 0.44 H new ATOM 0 H1' DG A 8 0.788 0.849 -8.119 1.00 0.39 H new ATOM 0 H8 DG A 8 4.477 1.991 -7.940 1.00 0.43 H new ATOM 0 H1 DG A 8 2.781 -2.944 -4.183 1.00 0.53 H new ATOM 0 H21 DG A 8 -0.364 -2.538 -5.626 1.00 0.69 H new ATOM 0 H22 DG A 8 0.654 -3.427 -4.488 1.00 0.69 H new ATOM 162 P DG A 9 -1.440 4.084 -8.801 1.00 0.57 P ATOM 163 OP1 DG A 9 -2.707 4.153 -9.573 1.00 0.88 O ATOM 164 OP2 DG A 9 -0.710 5.337 -8.477 1.00 0.92 O ATOM 165 O5' DG A 9 -1.732 3.309 -7.439 1.00 0.47 O ATOM 166 C5' DG A 9 -2.794 3.715 -6.576 1.00 0.36 C ATOM 167 C4' DG A 9 -3.102 2.623 -5.577 1.00 0.33 C ATOM 168 O4' DG A 9 -1.880 1.909 -5.258 1.00 0.30 O ATOM 169 C3' DG A 9 -3.669 3.116 -4.234 1.00 0.48 C ATOM 170 O3' DG A 9 -4.822 2.349 -3.869 1.00 0.57 O ATOM 171 C2' DG A 9 -2.537 2.872 -3.246 1.00 0.59 C ATOM 172 C1' DG A 9 -1.823 1.689 -3.864 1.00 0.41 C ATOM 173 N9 DG A 9 -0.421 1.547 -3.473 1.00 0.38 N ATOM 174 C8 DG A 9 0.652 2.264 -3.945 1.00 0.41 C ATOM 175 N7 DG A 9 1.786 1.910 -3.406 1.00 0.42 N ATOM 176 C5 DG A 9 1.442 0.895 -2.523 1.00 0.38 C ATOM 177 C6 DG A 9 2.253 0.123 -1.654 1.00 0.42 C ATOM 178 O6 DG A 9 3.476 0.189 -1.490 1.00 0.48 O ATOM 179 N1 DG A 9 1.505 -0.803 -0.928 1.00 0.47 N ATOM 180 C2 DG A 9 0.142 -0.955 -1.036 1.00 0.51 C ATOM 181 N2 DG A 9 -0.412 -1.898 -0.257 1.00 0.62 N ATOM 182 N3 DG A 9 -0.625 -0.240 -1.843 1.00 0.46 N ATOM 183 C4 DG A 9 0.086 0.659 -2.552 1.00 0.39 C ATOM 0 H5' DG A 9 -3.684 3.941 -7.164 1.00 0.36 H new ATOM 0 H5'' DG A 9 -2.517 4.630 -6.052 1.00 0.36 H new ATOM 0 H4' DG A 9 -3.860 2.007 -6.060 1.00 0.33 H new ATOM 0 H3' DG A 9 -3.984 4.159 -4.266 1.00 0.48 H new ATOM 0 H2' DG A 9 -1.883 3.739 -3.154 1.00 0.59 H new ATOM 0 H2'' DG A 9 -2.910 2.646 -2.247 1.00 0.59 H new ATOM 0 H1' DG A 9 -2.309 0.774 -3.525 1.00 0.41 H new ATOM 0 H8 DG A 9 0.565 3.043 -4.688 1.00 0.41 H new ATOM 0 H1 DG A 9 2.001 -1.408 -0.273 1.00 0.47 H new ATOM 0 H21 DG A 9 -1.418 -2.060 -0.290 1.00 0.62 H new ATOM 0 H22 DG A 9 0.174 -2.452 0.368 1.00 0.62 H new ATOM 195 P DT A 10 -6.241 2.643 -4.568 1.00 0.44 P ATOM 196 OP1 DT A 10 -5.975 3.385 -5.827 1.00 0.72 O ATOM 197 OP2 DT A 10 -7.150 3.228 -3.550 1.00 0.78 O ATOM 198 O5' DT A 10 -6.786 1.195 -4.953 1.00 0.71 O ATOM 199 C5' DT A 10 -7.065 0.220 -3.947 1.00 0.97 C ATOM 200 C4' DT A 10 -5.811 -0.555 -3.608 1.00 0.50 C ATOM 201 O4' DT A 10 -5.880 -0.985 -2.223 1.00 0.74 O ATOM 202 C3' DT A 10 -5.595 -1.829 -4.437 1.00 0.61 C ATOM 203 O3' DT A 10 -4.212 -1.966 -4.782 1.00 0.84 O ATOM 204 C2' DT A 10 -6.020 -2.942 -3.495 1.00 0.56 C ATOM 205 C1' DT A 10 -5.634 -2.378 -2.142 1.00 0.56 C ATOM 206 N1 DT A 10 -6.408 -2.920 -1.007 1.00 0.78 N ATOM 207 C2 DT A 10 -5.846 -3.935 -0.265 1.00 0.89 C ATOM 208 O2 DT A 10 -4.744 -4.402 -0.502 1.00 1.25 O ATOM 209 N3 DT A 10 -6.623 -4.386 0.770 1.00 1.14 N ATOM 210 C4 DT A 10 -7.877 -3.933 1.129 1.00 1.55 C ATOM 211 O4 DT A 10 -8.457 -4.436 2.088 1.00 1.89 O ATOM 212 C5 DT A 10 -8.407 -2.866 0.309 1.00 1.78 C ATOM 213 C7 DT A 10 -9.761 -2.312 0.626 1.00 2.59 C ATOM 214 C6 DT A 10 -7.657 -2.415 -0.708 1.00 1.37 C ATOM 0 H5' DT A 10 -7.840 -0.463 -4.297 1.00 0.97 H new ATOM 0 H5'' DT A 10 -7.451 0.710 -3.053 1.00 0.97 H new ATOM 0 H4' DT A 10 -4.990 0.130 -3.820 1.00 0.50 H new ATOM 0 H3' DT A 10 -6.151 -1.830 -5.374 1.00 0.61 H new ATOM 0 H2' DT A 10 -7.089 -3.146 -3.562 1.00 0.56 H new ATOM 0 H2'' DT A 10 -5.503 -3.877 -3.709 1.00 0.56 H new ATOM 0 H1' DT A 10 -4.596 -2.644 -1.944 1.00 0.56 H new ATOM 0 H3 DT A 10 -6.232 -5.138 1.337 1.00 1.14 H new ATOM 0 H71 DT A 10 -9.802 -1.263 0.334 1.00 2.59 H new ATOM 0 H72 DT A 10 -10.520 -2.871 0.079 1.00 2.59 H new ATOM 0 H73 DT A 10 -9.948 -2.399 1.696 1.00 2.59 H new ATOM 0 H6 DT A 10 -8.050 -1.618 -1.322 1.00 1.37 H new ATOM 227 P DG A 11 -3.755 -1.886 -6.322 1.00 1.00 P ATOM 228 OP1 DG A 11 -2.301 -2.184 -6.364 1.00 1.35 O ATOM 229 OP2 DG A 11 -4.260 -0.612 -6.893 1.00 1.37 O ATOM 230 O5' DG A 11 -4.532 -3.092 -7.019 1.00 0.78 O ATOM 231 C5' DG A 11 -3.991 -3.756 -8.163 1.00 0.57 C ATOM 232 C4' DG A 11 -3.953 -5.251 -7.931 1.00 0.57 C ATOM 233 O4' DG A 11 -2.650 -5.759 -8.318 1.00 0.64 O ATOM 234 C3' DG A 11 -4.146 -5.684 -6.477 1.00 0.55 C ATOM 235 O3' DG A 11 -4.803 -6.955 -6.418 1.00 0.78 O ATOM 236 C2' DG A 11 -2.723 -5.792 -5.968 1.00 0.53 C ATOM 237 C1' DG A 11 -1.987 -6.313 -7.189 1.00 0.61 C ATOM 238 N9 DG A 11 -0.579 -5.928 -7.253 1.00 0.53 N ATOM 239 C8 DG A 11 -0.027 -4.925 -8.012 1.00 0.52 C ATOM 240 N7 DG A 11 1.264 -4.814 -7.860 1.00 0.48 N ATOM 241 C5 DG A 11 1.586 -5.805 -6.942 1.00 0.44 C ATOM 242 C6 DG A 11 2.839 -6.168 -6.388 1.00 0.39 C ATOM 243 O6 DG A 11 3.946 -5.665 -6.606 1.00 0.38 O ATOM 244 N1 DG A 11 2.725 -7.231 -5.493 1.00 0.41 N ATOM 245 C2 DG A 11 1.541 -7.858 -5.179 1.00 0.48 C ATOM 246 N2 DG A 11 1.620 -8.863 -4.293 1.00 0.54 N ATOM 247 N3 DG A 11 0.365 -7.528 -5.690 1.00 0.51 N ATOM 248 C4 DG A 11 0.461 -6.501 -6.558 1.00 0.48 C ATOM 0 H5' DG A 11 -2.986 -3.386 -8.365 1.00 0.57 H new ATOM 0 H5'' DG A 11 -4.596 -3.532 -9.042 1.00 0.57 H new ATOM 0 H4' DG A 11 -4.781 -5.645 -8.520 1.00 0.57 H new ATOM 0 H3' DG A 11 -4.762 -4.998 -5.895 1.00 0.55 H new ATOM 0 H2' DG A 11 -2.334 -4.829 -5.638 1.00 0.53 H new ATOM 0 H2'' DG A 11 -2.643 -6.475 -5.122 1.00 0.53 H new ATOM 0 H1' DG A 11 -2.001 -7.402 -7.152 1.00 0.61 H new ATOM 0 H8 DG A 11 -0.604 -4.291 -8.669 1.00 0.52 H new ATOM 0 H1 DG A 11 3.576 -7.566 -5.041 1.00 0.41 H new ATOM 0 H21 DG A 11 0.778 -9.368 -4.018 1.00 0.54 H new ATOM 0 H22 DG A 11 2.523 -9.122 -3.894 1.00 0.54 H new ATOM 260 P DG A 12 -5.631 -7.370 -5.103 1.00 0.91 P ATOM 261 OP1 DG A 12 -6.268 -8.683 -5.375 1.00 1.33 O ATOM 262 OP2 DG A 12 -6.474 -6.216 -4.697 1.00 0.78 O ATOM 263 O5' DG A 12 -4.508 -7.587 -3.992 1.00 1.08 O ATOM 264 C5' DG A 12 -4.687 -7.104 -2.660 1.00 1.02 C ATOM 265 C4' DG A 12 -3.829 -7.894 -1.699 1.00 0.87 C ATOM 266 O4' DG A 12 -2.450 -7.835 -2.140 1.00 0.76 O ATOM 267 C3' DG A 12 -3.840 -7.378 -0.257 1.00 0.80 C ATOM 268 O3' DG A 12 -3.863 -8.473 0.665 1.00 0.74 O ATOM 269 C2' DG A 12 -2.539 -6.603 -0.136 1.00 0.74 C ATOM 270 C1' DG A 12 -1.622 -7.327 -1.106 1.00 0.69 C ATOM 271 N9 DG A 12 -0.606 -6.475 -1.723 1.00 0.65 N ATOM 272 C8 DG A 12 -0.796 -5.550 -2.720 1.00 0.66 C ATOM 273 N7 DG A 12 0.299 -4.934 -3.068 1.00 0.65 N ATOM 274 C5 DG A 12 1.275 -5.485 -2.250 1.00 0.63 C ATOM 275 C6 DG A 12 2.663 -5.212 -2.171 1.00 0.65 C ATOM 276 O6 DG A 12 3.322 -4.399 -2.830 1.00 0.68 O ATOM 277 N1 DG A 12 3.294 -5.995 -1.206 1.00 0.66 N ATOM 278 C2 DG A 12 2.652 -6.925 -0.420 1.00 0.64 C ATOM 279 N2 DG A 12 3.421 -7.591 0.456 1.00 0.67 N ATOM 280 N3 DG A 12 1.357 -7.188 -0.485 1.00 0.63 N ATOM 281 C4 DG A 12 0.734 -6.438 -1.415 1.00 0.63 C ATOM 0 H5' DG A 12 -5.736 -7.185 -2.374 1.00 1.02 H new ATOM 0 H5'' DG A 12 -4.424 -6.047 -2.610 1.00 1.02 H new ATOM 0 H4' DG A 12 -4.250 -8.900 -1.700 1.00 0.87 H new ATOM 0 H3' DG A 12 -4.715 -6.768 -0.032 1.00 0.80 H new ATOM 0 H2' DG A 12 -2.666 -5.555 -0.406 1.00 0.74 H new ATOM 0 H2'' DG A 12 -2.149 -6.625 0.882 1.00 0.74 H new ATOM 0 H1' DG A 12 -1.084 -8.093 -0.547 1.00 0.69 H new ATOM 0 H8 DG A 12 -1.757 -5.352 -3.171 1.00 0.66 H new ATOM 0 H1 DG A 12 4.298 -5.871 -1.073 1.00 0.66 H new ATOM 0 H21 DG A 12 3.006 -8.294 1.068 1.00 0.67 H new ATOM 0 H22 DG A 12 4.420 -7.394 0.510 1.00 0.67 H new ATOM 293 P DG A 13 -4.248 -8.209 2.204 1.00 0.72 P ATOM 294 OP1 DG A 13 -4.754 -9.489 2.762 1.00 0.92 O ATOM 295 OP2 DG A 13 -5.098 -6.992 2.270 1.00 0.79 O ATOM 296 O5' DG A 13 -2.851 -7.884 2.897 1.00 0.96 O ATOM 297 C5' DG A 13 -2.784 -7.463 4.260 1.00 0.83 C ATOM 298 C4' DG A 13 -1.408 -7.736 4.820 1.00 0.72 C ATOM 299 O4' DG A 13 -0.411 -7.297 3.862 1.00 0.64 O ATOM 300 C3' DG A 13 -1.088 -7.005 6.129 1.00 0.72 C ATOM 301 O3' DG A 13 -0.349 -7.861 7.007 1.00 0.68 O ATOM 302 C2' DG A 13 -0.235 -5.831 5.683 1.00 0.72 C ATOM 303 C1' DG A 13 0.494 -6.398 4.480 1.00 0.62 C ATOM 304 N9 DG A 13 0.892 -5.401 3.487 1.00 0.55 N ATOM 305 C8 DG A 13 0.075 -4.739 2.603 1.00 0.59 C ATOM 306 N7 DG A 13 0.716 -3.899 1.838 1.00 0.54 N ATOM 307 C5 DG A 13 2.039 -4.012 2.242 1.00 0.46 C ATOM 308 C6 DG A 13 3.199 -3.345 1.775 1.00 0.43 C ATOM 309 O6 DG A 13 3.284 -2.493 0.884 1.00 0.47 O ATOM 310 N1 DG A 13 4.345 -3.752 2.456 1.00 0.43 N ATOM 311 C2 DG A 13 4.358 -4.690 3.464 1.00 0.45 C ATOM 312 N2 DG A 13 5.556 -4.960 4.007 1.00 0.52 N ATOM 313 N3 DG A 13 3.281 -5.318 3.909 1.00 0.46 N ATOM 314 C4 DG A 13 2.165 -4.934 3.258 1.00 0.46 C ATOM 0 H5' DG A 13 -3.536 -7.989 4.849 1.00 0.83 H new ATOM 0 H5'' DG A 13 -3.010 -6.399 4.332 1.00 0.83 H new ATOM 0 H4' DG A 13 -1.391 -8.808 5.018 1.00 0.72 H new ATOM 0 H3' DG A 13 -1.979 -6.696 6.676 1.00 0.72 H new ATOM 0 H2' DG A 13 -0.842 -4.965 5.419 1.00 0.72 H new ATOM 0 H2'' DG A 13 0.456 -5.511 6.463 1.00 0.72 H new ATOM 0 H1' DG A 13 1.418 -6.858 4.831 1.00 0.62 H new ATOM 0 H8 DG A 13 -0.992 -4.898 2.547 1.00 0.59 H new ATOM 0 H1 DG A 13 5.233 -3.327 2.190 1.00 0.43 H new ATOM 0 H21 DG A 13 5.633 -5.646 4.758 1.00 0.52 H new ATOM 0 H22 DG A 13 6.389 -4.479 3.668 1.00 0.52 H new ATOM 326 P DT A 14 -0.465 -7.665 8.599 1.00 0.53 P ATOM 327 OP1 DT A 14 -1.906 -7.725 8.952 1.00 0.89 O ATOM 328 OP2 DT A 14 0.335 -6.474 8.982 1.00 1.12 O ATOM 329 O5' DT A 14 0.246 -8.959 9.199 1.00 0.47 O ATOM 330 C5' DT A 14 -0.201 -10.271 8.855 1.00 1.15 C ATOM 331 C4' DT A 14 0.982 -11.164 8.560 1.00 0.94 C ATOM 332 O4' DT A 14 1.765 -11.327 9.767 1.00 0.82 O ATOM 333 C3' DT A 14 0.622 -12.577 8.104 1.00 1.12 C ATOM 334 O3' DT A 14 1.597 -13.066 7.176 1.00 1.28 O ATOM 335 C2' DT A 14 0.657 -13.380 9.390 1.00 1.20 C ATOM 336 C1' DT A 14 1.741 -12.682 10.196 1.00 0.94 C ATOM 337 N1 DT A 14 1.513 -12.690 11.654 1.00 0.99 N ATOM 338 C2 DT A 14 2.269 -13.542 12.429 1.00 1.13 C ATOM 339 O2 DT A 14 3.116 -14.289 11.967 1.00 1.14 O ATOM 340 N3 DT A 14 1.995 -13.488 13.771 1.00 1.32 N ATOM 341 C4 DT A 14 1.064 -12.687 14.401 1.00 1.37 C ATOM 342 O4 DT A 14 0.930 -12.749 15.620 1.00 1.64 O ATOM 343 C5 DT A 14 0.306 -11.818 13.528 1.00 1.18 C ATOM 344 C7 DT A 14 -0.727 -10.912 14.124 1.00 1.26 C ATOM 345 C6 DT A 14 0.563 -11.859 12.212 1.00 1.02 C ATOM 0 H5' DT A 14 -0.856 -10.224 7.985 1.00 1.15 H new ATOM 0 H5'' DT A 14 -0.787 -10.690 9.673 1.00 1.15 H new ATOM 0 H4' DT A 14 1.513 -10.667 7.748 1.00 0.94 H new ATOM 0 H3' DT A 14 -0.340 -12.632 7.594 1.00 1.12 H new ATOM 0 H2' DT A 14 -0.304 -13.362 9.904 1.00 1.20 H new ATOM 0 H2'' DT A 14 0.900 -14.427 9.207 1.00 1.20 H new ATOM 0 H1' DT A 14 2.674 -13.218 10.025 1.00 0.94 H new ATOM 0 H3 DT A 14 2.539 -14.108 14.370 1.00 1.32 H new ATOM 0 H71 DT A 14 -0.816 -10.012 13.516 1.00 1.26 H new ATOM 0 H72 DT A 14 -1.688 -11.426 14.154 1.00 1.26 H new ATOM 0 H73 DT A 14 -0.430 -10.638 15.136 1.00 1.26 H new ATOM 0 H6 DT A 14 -0.001 -11.210 11.558 1.00 1.02 H new ATOM 358 P DA A 15 1.377 -12.853 5.598 1.00 1.39 P ATOM 359 OP1 DA A 15 2.496 -13.533 4.898 1.00 1.99 O ATOM 360 OP2 DA A 15 1.127 -11.410 5.352 1.00 1.55 O ATOM 361 O5' DA A 15 0.036 -13.655 5.283 1.00 1.14 O ATOM 362 C5' DA A 15 -0.689 -13.432 4.073 1.00 1.27 C ATOM 363 C4' DA A 15 -0.076 -14.228 2.944 1.00 1.23 C ATOM 364 O4' DA A 15 -0.087 -15.635 3.295 1.00 1.24 O ATOM 365 C3' DA A 15 -0.818 -14.127 1.609 1.00 1.20 C ATOM 366 O3' DA A 15 0.106 -14.192 0.517 1.00 1.22 O ATOM 367 C2' DA A 15 -1.717 -15.348 1.620 1.00 1.21 C ATOM 368 C1' DA A 15 -0.874 -16.367 2.366 1.00 1.23 C ATOM 369 N9 DA A 15 -1.648 -17.361 3.113 1.00 1.34 N ATOM 370 C8 DA A 15 -2.188 -17.235 4.370 1.00 1.51 C ATOM 371 N7 DA A 15 -2.832 -18.302 4.777 1.00 1.61 N ATOM 372 C5 DA A 15 -2.708 -19.191 3.718 1.00 1.54 C ATOM 373 C6 DA A 15 -3.174 -20.503 3.525 1.00 1.69 C ATOM 374 N6 DA A 15 -3.887 -21.177 4.430 1.00 1.86 N ATOM 375 N1 DA A 15 -2.877 -21.109 2.354 1.00 1.79 N ATOM 376 C2 DA A 15 -2.162 -20.434 1.446 1.00 1.72 C ATOM 377 N3 DA A 15 -1.669 -19.198 1.511 1.00 1.51 N ATOM 378 C4 DA A 15 -1.981 -18.625 2.686 1.00 1.41 C ATOM 0 H5' DA A 15 -0.681 -12.370 3.826 1.00 1.27 H new ATOM 0 H5'' DA A 15 -1.732 -13.720 4.207 1.00 1.27 H new ATOM 0 H4' DA A 15 0.922 -13.809 2.814 1.00 1.23 H new ATOM 0 H3' DA A 15 -1.366 -13.192 1.490 1.00 1.20 H new ATOM 0 H2' DA A 15 -2.662 -15.152 2.128 1.00 1.21 H new ATOM 0 H2'' DA A 15 -1.960 -15.682 0.612 1.00 1.21 H new ATOM 0 H1' DA A 15 -0.294 -16.923 1.629 1.00 1.23 H new ATOM 0 H8 DA A 15 -2.091 -16.340 4.967 1.00 1.51 H new ATOM 0 H61 DA A 15 -4.197 -22.128 4.230 1.00 1.86 H new ATOM 0 H62 DA A 15 -4.122 -20.741 5.322 1.00 1.86 H new ATOM 0 H2 DA A 15 -1.955 -20.967 0.530 1.00 1.72 H new ATOM 390 P DG A 16 0.855 -12.859 0.016 1.00 0.99 P ATOM 391 OP1 DG A 16 0.069 -11.695 0.497 1.00 0.88 O ATOM 392 OP2 DG A 16 1.138 -13.002 -1.435 1.00 1.35 O ATOM 393 O5' DG A 16 2.243 -12.877 0.799 1.00 0.79 O ATOM 394 C5' DG A 16 3.058 -14.049 0.826 1.00 0.53 C ATOM 395 C4' DG A 16 4.511 -13.672 0.993 1.00 0.39 C ATOM 396 O4' DG A 16 4.989 -13.073 -0.240 1.00 0.50 O ATOM 397 C3' DG A 16 4.788 -12.644 2.096 1.00 0.33 C ATOM 398 O3' DG A 16 6.013 -12.957 2.770 1.00 0.33 O ATOM 399 C2' DG A 16 4.916 -11.338 1.334 1.00 0.38 C ATOM 400 C1' DG A 16 5.534 -11.791 0.026 1.00 0.41 C ATOM 401 N9 DG A 16 5.240 -10.926 -1.115 1.00 0.38 N ATOM 402 C8 DG A 16 4.056 -10.834 -1.805 1.00 0.42 C ATOM 403 N7 DG A 16 4.094 -9.971 -2.783 1.00 0.40 N ATOM 404 C5 DG A 16 5.385 -9.460 -2.735 1.00 0.35 C ATOM 405 C6 DG A 16 6.015 -8.485 -3.549 1.00 0.34 C ATOM 406 O6 DG A 16 5.536 -7.858 -4.501 1.00 0.37 O ATOM 407 N1 DG A 16 7.335 -8.257 -3.162 1.00 0.32 N ATOM 408 C2 DG A 16 7.959 -8.897 -2.115 1.00 0.33 C ATOM 409 N2 DG A 16 9.233 -8.547 -1.879 1.00 0.37 N ATOM 410 N3 DG A 16 7.380 -9.807 -1.349 1.00 0.35 N ATOM 411 C4 DG A 16 6.104 -10.038 -1.713 1.00 0.35 C ATOM 0 H5' DG A 16 2.925 -14.614 -0.097 1.00 0.53 H new ATOM 0 H5'' DG A 16 2.747 -14.698 1.645 1.00 0.53 H new ATOM 0 H4' DG A 16 5.015 -14.601 1.261 1.00 0.39 H new ATOM 0 H3' DG A 16 4.014 -12.615 2.863 1.00 0.33 H new ATOM 0 H2' DG A 16 3.949 -10.858 1.183 1.00 0.38 H new ATOM 0 H2'' DG A 16 5.549 -10.622 1.857 1.00 0.38 H new ATOM 0 H1' DG A 16 6.618 -11.776 0.141 1.00 0.41 H new ATOM 0 H8 DG A 16 3.181 -11.418 -1.562 1.00 0.42 H new ATOM 0 H1 DG A 16 7.874 -7.570 -3.690 1.00 0.32 H new ATOM 0 H21 DG A 16 9.750 -8.986 -1.117 1.00 0.37 H new ATOM 0 H22 DG A 16 9.685 -7.842 -2.462 1.00 0.37 H new ATOM 423 P DG A 17 6.453 -12.116 4.069 1.00 0.36 P ATOM 424 OP1 DG A 17 7.007 -13.078 5.055 1.00 0.51 O ATOM 425 OP2 DG A 17 5.323 -11.234 4.460 1.00 0.51 O ATOM 426 O5' DG A 17 7.647 -11.197 3.548 1.00 0.42 O ATOM 427 C5' DG A 17 8.875 -11.772 3.100 1.00 0.67 C ATOM 428 C4' DG A 17 9.957 -10.718 3.045 1.00 0.64 C ATOM 429 O4' DG A 17 9.688 -9.819 1.938 1.00 0.53 O ATOM 430 C3' DG A 17 10.059 -9.833 4.290 1.00 0.69 C ATOM 431 O3' DG A 17 11.429 -9.516 4.564 1.00 0.93 O ATOM 432 C2' DG A 17 9.288 -8.586 3.899 1.00 0.57 C ATOM 433 C1' DG A 17 9.568 -8.486 2.410 1.00 0.44 C ATOM 434 N9 DG A 17 8.514 -7.827 1.640 1.00 0.32 N ATOM 435 C8 DG A 17 7.186 -8.174 1.588 1.00 0.31 C ATOM 436 N7 DG A 17 6.481 -7.400 0.811 1.00 0.39 N ATOM 437 C5 DG A 17 7.400 -6.484 0.318 1.00 0.31 C ATOM 438 C6 DG A 17 7.220 -5.398 -0.576 1.00 0.36 C ATOM 439 O6 DG A 17 6.178 -5.024 -1.125 1.00 0.50 O ATOM 440 N1 DG A 17 8.413 -4.719 -0.816 1.00 0.33 N ATOM 441 C2 DG A 17 9.625 -5.056 -0.257 1.00 0.40 C ATOM 442 N2 DG A 17 10.671 -4.289 -0.602 1.00 0.53 N ATOM 443 N3 DG A 17 9.804 -6.067 0.578 1.00 0.44 N ATOM 444 C4 DG A 17 8.658 -6.733 0.819 1.00 0.31 C ATOM 0 H5' DG A 17 8.739 -12.215 2.113 1.00 0.67 H new ATOM 0 H5'' DG A 17 9.175 -12.576 3.772 1.00 0.67 H new ATOM 0 H4' DG A 17 10.888 -11.276 2.948 1.00 0.64 H new ATOM 0 H3' DG A 17 9.669 -10.309 5.190 1.00 0.69 H new ATOM 0 H2' DG A 17 8.223 -8.685 4.107 1.00 0.57 H new ATOM 0 H2'' DG A 17 9.638 -7.706 4.439 1.00 0.57 H new ATOM 0 H1' DG A 17 10.464 -7.880 2.277 1.00 0.44 H new ATOM 0 H8 DG A 17 6.768 -9.005 2.136 1.00 0.31 H new ATOM 0 H1 DG A 17 8.386 -3.919 -1.448 1.00 0.33 H new ATOM 0 H21 DG A 17 11.596 -4.487 -0.221 1.00 0.53 H new ATOM 0 H22 DG A 17 10.541 -3.508 -1.245 1.00 0.53 H new ATOM 456 P DG A 18 11.818 -8.743 5.920 1.00 1.07 P ATOM 457 OP1 DG A 18 13.110 -9.302 6.393 1.00 1.47 O ATOM 458 OP2 DG A 18 10.639 -8.757 6.823 1.00 1.25 O ATOM 459 O5' DG A 18 12.069 -7.241 5.448 1.00 0.90 O ATOM 460 C5' DG A 18 13.178 -6.488 5.941 1.00 0.78 C ATOM 461 C4' DG A 18 13.455 -5.311 5.033 1.00 0.63 C ATOM 462 O4' DG A 18 12.352 -5.152 4.107 1.00 0.59 O ATOM 463 C3' DG A 18 13.606 -3.959 5.752 1.00 0.53 C ATOM 464 O3' DG A 18 14.812 -3.311 5.334 1.00 0.51 O ATOM 465 C2' DG A 18 12.390 -3.158 5.304 1.00 0.54 C ATOM 466 C1' DG A 18 12.064 -3.778 3.962 1.00 0.51 C ATOM 467 N9 DG A 18 10.669 -3.639 3.547 1.00 0.47 N ATOM 468 C8 DG A 18 9.588 -4.351 4.008 1.00 0.50 C ATOM 469 N7 DG A 18 8.462 -4.001 3.449 1.00 0.51 N ATOM 470 C5 DG A 18 8.821 -2.995 2.562 1.00 0.46 C ATOM 471 C6 DG A 18 8.023 -2.230 1.674 1.00 0.50 C ATOM 472 O6 DG A 18 6.803 -2.297 1.492 1.00 0.59 O ATOM 473 N1 DG A 18 8.782 -1.312 0.951 1.00 0.52 N ATOM 474 C2 DG A 18 10.144 -1.158 1.078 1.00 0.53 C ATOM 475 N2 DG A 18 10.710 -0.222 0.300 1.00 0.62 N ATOM 476 N3 DG A 18 10.899 -1.866 1.904 1.00 0.50 N ATOM 477 C4 DG A 18 10.177 -2.759 2.610 1.00 0.45 C ATOM 0 H5' DG A 18 14.061 -7.125 6.003 1.00 0.78 H new ATOM 0 H5'' DG A 18 12.968 -6.136 6.951 1.00 0.78 H new ATOM 0 H4' DG A 18 14.404 -5.547 4.552 1.00 0.63 H new ATOM 0 H3' DG A 18 13.661 -4.062 6.836 1.00 0.53 H new ATOM 0 H2' DG A 18 11.561 -3.252 6.006 1.00 0.54 H new ATOM 0 H2'' DG A 18 12.614 -2.095 5.216 1.00 0.54 H new ATOM 0 H1' DG A 18 12.646 -3.268 3.194 1.00 0.51 H new ATOM 0 H8 DG A 18 9.663 -5.124 4.759 1.00 0.50 H new ATOM 0 H1 DG A 18 8.296 -0.714 0.283 1.00 0.52 H new ATOM 0 H21 DG A 18 11.716 -0.060 0.347 1.00 0.62 H new ATOM 0 H22 DG A 18 10.134 0.327 -0.339 1.00 0.62 H new ATOM 489 P DT A 19 15.564 -2.299 6.332 1.00 0.71 P ATOM 490 OP1 DT A 19 16.032 -3.090 7.498 1.00 1.00 O ATOM 491 OP2 DT A 19 14.688 -1.120 6.548 1.00 0.97 O ATOM 492 O5' DT A 19 16.845 -1.827 5.509 1.00 0.93 O ATOM 493 C5' DT A 19 16.718 -1.314 4.182 1.00 1.00 C ATOM 494 C4' DT A 19 17.616 -2.080 3.237 1.00 0.91 C ATOM 495 O4' DT A 19 18.976 -1.598 3.381 1.00 0.92 O ATOM 496 C3' DT A 19 17.675 -3.590 3.485 1.00 1.01 C ATOM 497 O3' DT A 19 17.754 -4.296 2.242 1.00 1.15 O ATOM 498 C2' DT A 19 18.953 -3.768 4.283 1.00 1.01 C ATOM 499 C1' DT A 19 19.841 -2.669 3.729 1.00 1.00 C ATOM 500 N1 DT A 19 20.844 -2.156 4.682 1.00 1.19 N ATOM 501 C2 DT A 19 22.076 -2.770 4.722 1.00 1.44 C ATOM 502 O2 DT A 19 22.375 -3.715 4.010 1.00 1.58 O ATOM 503 N3 DT A 19 22.952 -2.237 5.633 1.00 1.75 N ATOM 504 C4 DT A 19 22.724 -1.176 6.486 1.00 1.94 C ATOM 505 O4 DT A 19 23.610 -0.807 7.252 1.00 2.34 O ATOM 506 C5 DT A 19 21.411 -0.578 6.391 1.00 1.79 C ATOM 507 C7 DT A 19 21.075 0.579 7.280 1.00 2.24 C ATOM 508 C6 DT A 19 20.543 -1.089 5.505 1.00 1.40 C ATOM 0 H5' DT A 19 16.980 -0.256 4.167 1.00 1.00 H new ATOM 0 H5'' DT A 19 15.682 -1.390 3.853 1.00 1.00 H new ATOM 0 H4' DT A 19 17.189 -1.916 2.248 1.00 0.91 H new ATOM 0 H3' DT A 19 16.795 -3.975 4.001 1.00 1.01 H new ATOM 0 H2' DT A 19 18.783 -3.651 5.353 1.00 1.01 H new ATOM 0 H2'' DT A 19 19.390 -4.756 4.135 1.00 1.01 H new ATOM 0 H1' DT A 19 20.404 -3.082 2.892 1.00 1.00 H new ATOM 0 H3 DT A 19 23.873 -2.672 5.686 1.00 1.75 H new ATOM 0 H71 DT A 19 20.354 1.225 6.779 1.00 2.24 H new ATOM 0 H72 DT A 19 20.645 0.210 8.211 1.00 2.24 H new ATOM 0 H73 DT A 19 21.980 1.145 7.498 1.00 2.24 H new ATOM 0 H6 DT A 19 19.561 -0.644 5.432 1.00 1.40 H new ATOM 521 P DG A 20 16.429 -4.955 1.613 1.00 1.34 P ATOM 522 OP1 DG A 20 15.473 -3.852 1.336 1.00 1.46 O ATOM 523 OP2 DG A 20 16.013 -6.086 2.481 1.00 1.60 O ATOM 524 O5' DG A 20 16.919 -5.548 0.217 1.00 1.32 O ATOM 525 C5' DG A 20 15.992 -6.129 -0.700 1.00 0.56 C ATOM 526 C4' DG A 20 16.151 -5.504 -2.067 1.00 0.28 C ATOM 527 O4' DG A 20 15.151 -6.060 -2.959 1.00 0.31 O ATOM 528 C3' DG A 20 15.954 -3.986 -2.107 1.00 0.28 C ATOM 529 O3' DG A 20 16.871 -3.389 -3.032 1.00 0.54 O ATOM 530 C2' DG A 20 14.526 -3.827 -2.593 1.00 0.31 C ATOM 531 C1' DG A 20 14.361 -5.021 -3.514 1.00 0.30 C ATOM 532 N9 DG A 20 12.988 -5.507 -3.633 1.00 0.28 N ATOM 533 C8 DG A 20 12.440 -6.604 -3.014 1.00 0.32 C ATOM 534 N7 DG A 20 11.187 -6.798 -3.321 1.00 0.34 N ATOM 535 C5 DG A 20 10.887 -5.763 -4.197 1.00 0.28 C ATOM 536 C6 DG A 20 9.676 -5.450 -4.865 1.00 0.29 C ATOM 537 O6 DG A 20 8.596 -6.047 -4.809 1.00 0.35 O ATOM 538 N1 DG A 20 9.800 -4.314 -5.663 1.00 0.24 N ATOM 539 C2 DG A 20 10.956 -3.578 -5.792 1.00 0.23 C ATOM 540 N2 DG A 20 10.887 -2.505 -6.596 1.00 0.26 N ATOM 541 N3 DG A 20 12.091 -3.861 -5.174 1.00 0.24 N ATOM 542 C4 DG A 20 11.986 -4.958 -4.399 1.00 0.25 C ATOM 0 H5' DG A 20 14.973 -5.982 -0.341 1.00 0.56 H new ATOM 0 H5'' DG A 20 16.156 -7.205 -0.762 1.00 0.56 H new ATOM 0 H4' DG A 20 17.178 -5.721 -2.360 1.00 0.28 H new ATOM 0 H3' DG A 20 16.131 -3.505 -1.145 1.00 0.28 H new ATOM 0 H2' DG A 20 13.812 -3.847 -1.770 1.00 0.31 H new ATOM 0 H2'' DG A 20 14.379 -2.884 -3.120 1.00 0.31 H new ATOM 0 H1' DG A 20 14.660 -4.717 -4.517 1.00 0.30 H new ATOM 0 H8 DG A 20 12.992 -7.243 -2.340 1.00 0.32 H new ATOM 0 H1 DG A 20 8.980 -4.008 -6.186 1.00 0.24 H new ATOM 0 H21 DG A 20 11.709 -1.918 -6.734 1.00 0.26 H new ATOM 0 H22 DG A 20 10.012 -2.277 -7.069 1.00 0.26 H new ATOM 554 P DG A 21 17.226 -1.824 -2.913 1.00 0.86 P ATOM 555 OP1 DG A 21 18.414 -1.573 -3.768 1.00 1.21 O ATOM 556 OP2 DG A 21 17.272 -1.464 -1.473 1.00 1.02 O ATOM 557 O5' DG A 21 15.974 -1.091 -3.573 1.00 0.85 O ATOM 558 C5' DG A 21 15.837 -0.999 -4.992 1.00 0.71 C ATOM 559 C4' DG A 21 14.938 0.160 -5.359 1.00 0.59 C ATOM 560 O4' DG A 21 13.558 -0.290 -5.359 1.00 0.52 O ATOM 561 C3' DG A 21 14.993 1.351 -4.395 1.00 0.57 C ATOM 562 O3' DG A 21 14.900 2.582 -5.121 1.00 0.60 O ATOM 563 C2' DG A 21 13.768 1.153 -3.521 1.00 0.64 C ATOM 564 C1' DG A 21 12.785 0.519 -4.488 1.00 0.58 C ATOM 565 N9 DG A 21 11.774 -0.330 -3.860 1.00 0.50 N ATOM 566 C8 DG A 21 11.962 -1.228 -2.838 1.00 0.51 C ATOM 567 N7 DG A 21 10.870 -1.850 -2.489 1.00 0.48 N ATOM 568 C5 DG A 21 9.897 -1.330 -3.332 1.00 0.45 C ATOM 569 C6 DG A 21 8.513 -1.621 -3.423 1.00 0.45 C ATOM 570 O6 DG A 21 7.856 -2.427 -2.755 1.00 0.50 O ATOM 571 N1 DG A 21 7.887 -0.868 -4.415 1.00 0.46 N ATOM 572 C2 DG A 21 8.528 0.050 -5.214 1.00 0.46 C ATOM 573 N2 DG A 21 7.765 0.686 -6.116 1.00 0.49 N ATOM 574 N3 DG A 21 9.819 0.330 -5.139 1.00 0.47 N ATOM 575 C4 DG A 21 10.438 -0.391 -4.183 1.00 0.46 C ATOM 0 H5' DG A 21 15.423 -1.928 -5.385 1.00 0.71 H new ATOM 0 H5'' DG A 21 16.817 -0.867 -5.451 1.00 0.71 H new ATOM 0 H4' DG A 21 15.296 0.495 -6.333 1.00 0.59 H new ATOM 0 H3' DG A 21 15.920 1.400 -3.823 1.00 0.57 H new ATOM 0 H2' DG A 21 13.976 0.506 -2.669 1.00 0.64 H new ATOM 0 H2'' DG A 21 13.396 2.096 -3.122 1.00 0.64 H new ATOM 0 H1' DG A 21 12.237 1.321 -4.983 1.00 0.58 H new ATOM 0 H8 DG A 21 12.919 -1.402 -2.370 1.00 0.51 H new ATOM 0 H1 DG A 21 6.887 -1.007 -4.558 1.00 0.46 H new ATOM 0 H21 DG A 21 8.181 1.379 -6.738 1.00 0.49 H new ATOM 0 H22 DG A 21 6.769 0.477 -6.179 1.00 0.49 H new ATOM 587 P DG A 22 15.304 3.967 -4.409 1.00 0.50 P ATOM 588 OP1 DG A 22 16.500 4.494 -5.114 1.00 0.54 O ATOM 589 OP2 DG A 22 15.359 3.742 -2.942 1.00 0.65 O ATOM 590 O5' DG A 22 14.077 4.934 -4.725 1.00 0.62 O ATOM 591 C5' DG A 22 13.163 5.328 -3.701 1.00 0.60 C ATOM 592 C4' DG A 22 11.787 5.544 -4.287 1.00 0.51 C ATOM 593 O4' DG A 22 11.163 4.264 -4.522 1.00 0.55 O ATOM 594 C3' DG A 22 10.815 6.296 -3.388 1.00 0.47 C ATOM 595 O3' DG A 22 10.919 7.707 -3.612 1.00 0.57 O ATOM 596 C2' DG A 22 9.461 5.779 -3.841 1.00 0.58 C ATOM 597 C1' DG A 22 9.757 4.361 -4.323 1.00 0.51 C ATOM 598 N9 DG A 22 9.363 3.312 -3.385 1.00 0.49 N ATOM 599 C8 DG A 22 10.184 2.591 -2.552 1.00 0.56 C ATOM 600 N7 DG A 22 9.544 1.716 -1.826 1.00 0.61 N ATOM 601 C5 DG A 22 8.216 1.868 -2.202 1.00 0.52 C ATOM 602 C6 DG A 22 7.055 1.190 -1.754 1.00 0.54 C ATOM 603 O6 DG A 22 6.973 0.292 -0.909 1.00 0.64 O ATOM 604 N1 DG A 22 5.905 1.649 -2.392 1.00 0.51 N ATOM 605 C2 DG A 22 5.888 2.642 -3.345 1.00 0.54 C ATOM 606 N2 DG A 22 4.686 2.955 -3.854 1.00 0.65 N ATOM 607 N3 DG A 22 6.966 3.282 -3.771 1.00 0.53 N ATOM 608 C4 DG A 22 8.087 2.848 -3.161 1.00 0.48 C ATOM 0 H5' DG A 22 13.512 6.244 -3.225 1.00 0.60 H new ATOM 0 H5'' DG A 22 13.121 4.562 -2.926 1.00 0.60 H new ATOM 0 H4' DG A 22 11.964 6.135 -5.186 1.00 0.51 H new ATOM 0 H3' DG A 22 10.999 6.143 -2.325 1.00 0.47 H new ATOM 0 H2' DG A 22 8.738 5.782 -3.025 1.00 0.58 H new ATOM 0 H2'' DG A 22 9.044 6.394 -4.638 1.00 0.58 H new ATOM 0 H1' DG A 22 9.175 4.202 -5.231 1.00 0.51 H new ATOM 0 H8 DG A 22 11.253 2.734 -2.503 1.00 0.56 H new ATOM 0 H1 DG A 22 5.016 1.220 -2.136 1.00 0.51 H new ATOM 0 H21 DG A 22 4.607 3.683 -4.564 1.00 0.65 H new ATOM 0 H22 DG A 22 3.852 2.465 -3.531 1.00 0.65 H new ATOM 620 P DT A 23 10.416 8.736 -2.483 1.00 0.81 P ATOM 621 OP1 DT A 23 10.617 10.109 -3.012 1.00 1.08 O ATOM 622 OP2 DT A 23 11.035 8.350 -1.189 1.00 0.99 O ATOM 623 O5' DT A 23 8.848 8.467 -2.388 1.00 1.02 O ATOM 624 C5' DT A 23 8.046 9.134 -1.413 1.00 0.94 C ATOM 625 C4' DT A 23 6.581 8.900 -1.696 1.00 1.02 C ATOM 626 O4' DT A 23 6.308 7.476 -1.627 1.00 0.81 O ATOM 627 C3' DT A 23 5.619 9.561 -0.702 1.00 1.16 C ATOM 628 O3' DT A 23 4.460 10.054 -1.385 1.00 1.40 O ATOM 629 C2' DT A 23 5.246 8.425 0.231 1.00 0.94 C ATOM 630 C1' DT A 23 5.261 7.231 -0.702 1.00 0.81 C ATOM 631 N1 DT A 23 5.522 5.939 -0.038 1.00 0.59 N ATOM 632 C2 DT A 23 4.445 5.138 0.270 1.00 0.61 C ATOM 633 O2 DT A 23 3.291 5.445 0.016 1.00 0.79 O ATOM 634 N3 DT A 23 4.767 3.959 0.890 1.00 0.50 N ATOM 635 C4 DT A 23 6.027 3.510 1.225 1.00 0.41 C ATOM 636 O4 DT A 23 6.157 2.424 1.782 1.00 0.53 O ATOM 637 C5 DT A 23 7.113 4.399 0.874 1.00 0.39 C ATOM 638 C7 DT A 23 8.516 3.994 1.203 1.00 0.50 C ATOM 639 C6 DT A 23 6.814 5.557 0.267 1.00 0.47 C ATOM 0 H5' DT A 23 8.260 10.203 -1.424 1.00 0.94 H new ATOM 0 H5'' DT A 23 8.294 8.770 -0.416 1.00 0.94 H new ATOM 0 H4' DT A 23 6.409 9.339 -2.679 1.00 1.02 H new ATOM 0 H3' DT A 23 6.055 10.414 -0.182 1.00 1.16 H new ATOM 0 H2' DT A 23 5.962 8.315 1.046 1.00 0.94 H new ATOM 0 H2'' DT A 23 4.267 8.575 0.685 1.00 0.94 H new ATOM 0 H1' DT A 23 4.273 7.138 -1.153 1.00 0.81 H new ATOM 0 H3 DT A 23 3.988 3.346 1.130 1.00 0.50 H new ATOM 0 H71 DT A 23 9.200 4.423 0.471 1.00 0.50 H new ATOM 0 H72 DT A 23 8.775 4.356 2.198 1.00 0.50 H new ATOM 0 H73 DT A 23 8.596 2.907 1.180 1.00 0.50 H new ATOM 0 H6 DT A 23 7.622 6.223 0.004 1.00 0.47 H new ATOM 652 P DA A 24 3.521 11.157 -0.683 1.00 1.52 P ATOM 653 OP1 DA A 24 2.301 11.295 -1.518 1.00 2.12 O ATOM 654 OP2 DA A 24 4.349 12.354 -0.390 1.00 2.06 O ATOM 655 O5' DA A 24 3.104 10.486 0.702 1.00 0.85 O ATOM 656 C5' DA A 24 1.746 10.486 1.148 1.00 0.89 C ATOM 657 C4' DA A 24 1.174 9.088 1.077 1.00 0.73 C ATOM 658 O4' DA A 24 2.197 8.135 1.459 1.00 0.68 O ATOM 659 C3' DA A 24 -0.001 8.824 2.018 1.00 0.55 C ATOM 660 O3' DA A 24 -0.885 7.851 1.449 1.00 0.54 O ATOM 661 C2' DA A 24 0.675 8.275 3.259 1.00 0.48 C ATOM 662 C1' DA A 24 1.846 7.496 2.680 1.00 0.55 C ATOM 663 N9 DA A 24 3.036 7.470 3.534 1.00 0.62 N ATOM 664 C8 DA A 24 4.084 8.358 3.543 1.00 0.77 C ATOM 665 N7 DA A 24 5.011 8.072 4.424 1.00 0.86 N ATOM 666 C5 DA A 24 4.543 6.919 5.038 1.00 0.78 C ATOM 667 C6 DA A 24 5.069 6.114 6.064 1.00 0.89 C ATOM 668 N6 DA A 24 6.230 6.358 6.676 1.00 1.07 N ATOM 669 N1 DA A 24 4.352 5.034 6.444 1.00 0.85 N ATOM 670 C2 DA A 24 3.188 4.788 5.830 1.00 0.72 C ATOM 671 N3 DA A 24 2.590 5.470 4.855 1.00 0.59 N ATOM 672 C4 DA A 24 3.328 6.537 4.500 1.00 0.63 C ATOM 0 H5' DA A 24 1.153 11.161 0.531 1.00 0.89 H new ATOM 0 H5'' DA A 24 1.691 10.858 2.171 1.00 0.89 H new ATOM 0 H4' DA A 24 0.824 8.983 0.050 1.00 0.73 H new ATOM 0 H3' DA A 24 -0.609 9.707 2.216 1.00 0.55 H new ATOM 0 H2' DA A 24 1.007 9.071 3.926 1.00 0.48 H new ATOM 0 H2'' DA A 24 0.007 7.635 3.835 1.00 0.48 H new ATOM 0 H1' DA A 24 1.528 6.460 2.565 1.00 0.55 H new ATOM 0 H8 DA A 24 4.139 9.213 2.885 1.00 0.77 H new ATOM 0 H61 DA A 24 6.558 5.735 7.414 1.00 1.07 H new ATOM 0 H62 DA A 24 6.789 7.167 6.405 1.00 1.07 H new ATOM 0 H2 DA A 24 2.659 3.912 6.174 1.00 0.72 H new ATOM 684 P DA A 25 -2.381 7.694 2.019 1.00 0.65 P ATOM 685 OP1 DA A 25 -3.308 8.201 0.976 1.00 0.95 O ATOM 686 OP2 DA A 25 -2.426 8.277 3.385 1.00 0.80 O ATOM 687 O5' DA A 25 -2.586 6.118 2.141 1.00 0.68 O ATOM 688 C5' DA A 25 -1.692 5.207 1.499 1.00 0.80 C ATOM 689 C4' DA A 25 -2.045 3.784 1.867 1.00 0.76 C ATOM 690 O4' DA A 25 -1.158 2.873 1.182 1.00 0.73 O ATOM 691 C3' DA A 25 -1.881 3.442 3.340 1.00 0.82 C ATOM 692 O3' DA A 25 -3.059 3.784 4.076 1.00 0.95 O ATOM 693 C2' DA A 25 -1.674 1.939 3.307 1.00 0.79 C ATOM 694 C1' DA A 25 -0.938 1.717 1.986 1.00 0.75 C ATOM 695 N9 DA A 25 0.509 1.533 2.125 1.00 0.72 N ATOM 696 C8 DA A 25 1.511 2.275 1.549 1.00 0.70 C ATOM 697 N7 DA A 25 2.717 1.868 1.861 1.00 0.72 N ATOM 698 C5 DA A 25 2.498 0.784 2.699 1.00 0.75 C ATOM 699 C6 DA A 25 3.375 -0.086 3.371 1.00 0.81 C ATOM 700 N6 DA A 25 4.707 0.005 3.306 1.00 0.86 N ATOM 701 N1 DA A 25 2.832 -1.064 4.127 1.00 0.88 N ATOM 702 C2 DA A 25 1.497 -1.154 4.199 1.00 0.89 C ATOM 703 N3 DA A 25 0.570 -0.397 3.616 1.00 0.84 N ATOM 704 C4 DA A 25 1.142 0.565 2.871 1.00 0.76 C ATOM 0 H5' DA A 25 -0.666 5.423 1.796 1.00 0.80 H new ATOM 0 H5'' DA A 25 -1.745 5.335 0.418 1.00 0.80 H new ATOM 0 H4' DA A 25 -3.095 3.690 1.591 1.00 0.76 H new ATOM 0 H3' DA A 25 -1.068 3.981 3.827 1.00 0.82 H new ATOM 0 H2' DA A 25 -1.087 1.595 4.158 1.00 0.79 H new ATOM 0 H2'' DA A 25 -2.622 1.401 3.335 1.00 0.79 H new ATOM 0 HO3' DA A 25 -3.384 4.662 3.785 1.00 0.95 H new ATOM 0 H1' DA A 25 -1.327 0.797 1.549 1.00 0.75 H new ATOM 0 H8 DA A 25 1.322 3.116 0.899 1.00 0.70 H new ATOM 0 H61 DA A 25 5.289 -0.658 3.818 1.00 0.86 H new ATOM 0 H62 DA A 25 5.141 0.737 2.745 1.00 0.86 H new ATOM 0 H2 DA A 25 1.119 -1.954 4.818 1.00 0.89 H new TER 717 DA A 25 HETATM 718 C17 BO6 A 101 13.411 -7.915 -6.511 1.00 0.60 C HETATM 719 C18 BO6 A 101 14.484 -7.068 -6.771 1.00 0.61 C HETATM 720 N19 BO6 A 101 14.285 -5.890 -7.490 1.00 0.62 N HETATM 721 C31 BO6 A 101 15.427 -4.988 -7.767 1.00 0.67 C HETATM 722 C20 BO6 A 101 13.009 -5.563 -7.946 1.00 0.63 C HETATM 723 C21 BO6 A 101 11.937 -6.410 -7.685 1.00 0.63 C HETATM 724 C16 BO6 A 101 12.123 -7.594 -6.966 1.00 0.61 C HETATM 725 C15 BO6 A 101 11.076 -8.466 -6.683 1.00 0.65 C HETATM 726 C14 BO6 A 101 11.255 -9.978 -6.515 1.00 0.68 C HETATM 727 C7 BO6 A 101 10.382 -10.775 -5.781 1.00 0.73 C HETATM 728 C6 BO6 A 101 9.051 -10.846 -6.167 1.00 0.74 C HETATM 729 C8 BO6 A 101 10.789 -11.501 -4.684 1.00 0.79 C HETATM 730 C9 BO6 A 101 9.869 -12.277 -4.002 1.00 0.86 C HETATM 731 C2 BO6 A 101 8.593 -12.320 -4.407 1.00 0.86 C HETATM 732 N1 BO6 A 101 7.541 -12.978 -3.927 1.00 0.92 N HETATM 733 C3 BO6 A 101 8.186 -11.611 -5.480 1.00 0.79 C HETATM 734 C4 BO6 A 101 6.884 -11.840 -5.650 1.00 0.81 C HETATM 735 C10 BO6 A 101 6.013 -11.380 -6.564 1.00 0.79 C HETATM 736 C5 BO6 A 101 6.485 -12.690 -4.683 1.00 0.89 C HETATM 737 C13 BO6 A 101 5.210 -13.096 -4.613 1.00 0.94 C HETATM 738 C12 BO6 A 101 4.285 -12.645 -5.537 1.00 0.90 C HETATM 739 C11 BO6 A 101 4.683 -11.778 -6.525 1.00 0.84 C HETATM 740 C22 BO6 A 101 3.795 -11.295 -7.480 1.00 0.83 C HETATM 741 C23 BO6 A 101 3.704 -9.817 -7.878 1.00 0.78 C HETATM 742 C24 BO6 A 101 2.615 -9.265 -8.545 1.00 0.78 C HETATM 743 C25 BO6 A 101 1.328 -9.733 -8.241 1.00 0.89 C HETATM 744 C26 BO6 A 101 0.213 -9.206 -8.886 1.00 0.95 C HETATM 745 N27 BO6 A 101 0.368 -8.203 -9.842 1.00 0.89 N HETATM 746 C30 BO6 A 101 -0.818 -7.642 -10.529 1.00 0.98 C HETATM 747 C28 BO6 A 101 1.643 -7.731 -10.150 1.00 0.80 C HETATM 748 C29 BO6 A 101 2.758 -8.259 -9.505 1.00 0.75 C