USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 232 hydrogens (48 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 -17:sc= 0.529 USER MOD Single : A 5 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot -75:sc= 0.73 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -17:sc= 0.56 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot -17:sc= 0.543 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.668 -2.854 -0.958 1.00 1.00 O ATOM 2 C5' DG A 1 -8.442 -3.904 -1.538 1.00 1.00 C ATOM 3 C4' DG A 1 -8.201 -3.991 -3.026 1.00 1.00 C ATOM 4 O4' DG A 1 -6.997 -3.249 -3.338 1.00 1.00 O ATOM 5 C3' DG A 1 -7.967 -5.403 -3.566 1.00 1.00 C ATOM 6 O3' DG A 1 -8.476 -5.509 -4.902 1.00 1.00 O ATOM 7 C2' DG A 1 -6.454 -5.511 -3.552 1.00 1.00 C ATOM 8 C1' DG A 1 -6.063 -4.109 -3.975 1.00 1.00 C ATOM 9 N9 DG A 1 -4.717 -3.695 -3.593 1.00 1.00 N ATOM 10 C8 DG A 1 -3.741 -3.231 -4.438 1.00 1.00 C ATOM 11 N7 DG A 1 -2.625 -2.935 -3.829 1.00 1.00 N ATOM 12 C5 DG A 1 -2.879 -3.223 -2.495 1.00 1.00 C ATOM 13 C6 DG A 1 -2.038 -3.103 -1.363 1.00 1.00 C ATOM 14 O6 DG A 1 -0.869 -2.687 -1.319 1.00 1.00 O ATOM 15 N1 DG A 1 -2.676 -3.503 -0.192 1.00 1.00 N ATOM 16 C2 DG A 1 -3.975 -3.955 -0.135 1.00 1.00 C ATOM 17 N2 DG A 1 -4.448 -4.258 1.083 1.00 1.00 N ATOM 18 N3 DG A 1 -4.772 -4.074 -1.186 1.00 1.00 N ATOM 19 C4 DG A 1 -4.165 -3.692 -2.329 1.00 1.00 C ATOM 0 H5' DG A 1 -9.501 -3.729 -1.346 1.00 1.00 H new ATOM 0 H5'' DG A 1 -8.185 -4.853 -1.068 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.110 -3.602 -3.486 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.460 -6.187 -2.992 1.00 1.00 H new ATOM 0 H2' DG A 1 -6.068 -5.768 -2.566 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.088 -6.269 -4.245 1.00 1.00 H new ATOM 0 HO5' DG A 1 -6.951 -2.597 -1.574 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.071 -4.070 -5.064 1.00 1.00 H new ATOM 0 H8 DG A 1 -3.882 -3.121 -5.503 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.147 -3.458 0.679 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.404 -4.598 1.189 1.00 1.00 H new ATOM 0 H22 DG A 1 -3.852 -4.148 1.903 1.00 1.00 H new ATOM 32 P DG A 2 -8.469 -6.919 -5.670 1.00 1.00 P ATOM 33 OP1 DG A 2 -9.504 -6.847 -6.727 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.523 -8.014 -4.671 1.00 1.00 O ATOM 35 O5' DG A 2 -7.047 -6.967 -6.382 1.00 1.00 O ATOM 36 C5' DG A 2 -6.799 -6.203 -7.561 1.00 1.00 C ATOM 37 C4' DG A 2 -5.368 -6.383 -8.011 1.00 1.00 C ATOM 38 O4' DG A 2 -4.473 -5.958 -6.952 1.00 1.00 O ATOM 39 C3' DG A 2 -4.962 -7.829 -8.313 1.00 1.00 C ATOM 40 O3' DG A 2 -3.938 -7.864 -9.310 1.00 1.00 O ATOM 41 C2' DG A 2 -4.362 -8.260 -6.989 1.00 1.00 C ATOM 42 C1' DG A 2 -3.560 -7.014 -6.707 1.00 1.00 C ATOM 43 N9 DG A 2 -3.012 -6.882 -5.362 1.00 1.00 N ATOM 44 C8 DG A 2 -3.536 -7.333 -4.173 1.00 1.00 C ATOM 45 N7 DG A 2 -2.770 -7.081 -3.144 1.00 1.00 N ATOM 46 C5 DG A 2 -1.676 -6.423 -3.690 1.00 1.00 C ATOM 47 C6 DG A 2 -0.510 -5.900 -3.072 1.00 1.00 C ATOM 48 O6 DG A 2 -0.210 -5.903 -1.871 1.00 1.00 O ATOM 49 N1 DG A 2 0.353 -5.311 -3.995 1.00 1.00 N ATOM 50 C2 DG A 2 0.106 -5.238 -5.347 1.00 1.00 C ATOM 51 N2 DG A 2 1.033 -4.638 -6.100 1.00 1.00 N ATOM 52 N3 DG A 2 -0.973 -5.718 -5.934 1.00 1.00 N ATOM 53 C4 DG A 2 -1.815 -6.293 -5.052 1.00 1.00 C ATOM 0 H5' DG A 2 -6.997 -5.149 -7.368 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.479 -6.515 -8.354 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.296 -5.797 -8.927 1.00 1.00 H new ATOM 0 H3' DG A 2 -5.785 -8.446 -8.675 1.00 1.00 H new ATOM 0 H2' DG A 2 -5.114 -8.463 -6.227 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.744 -9.154 -7.073 1.00 1.00 H new ATOM 0 H1' DG A 2 -2.668 -7.025 -7.334 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.485 -7.844 -4.097 1.00 1.00 H new ATOM 0 H1 DG A 2 1.223 -4.909 -3.646 1.00 1.00 H new ATOM 0 H21 DG A 2 0.898 -4.558 -7.108 1.00 1.00 H new ATOM 0 H22 DG A 2 1.876 -4.260 -5.667 1.00 1.00 H new HETATM 65 P AZW A 3 -4.259 -7.713 -10.871 1.00 1.00 P HETATM 66 OP1 AZW A 3 -4.375 -6.270 -11.193 1.00 1.00 O HETATM 67 OP2 AZW A 3 -5.376 -8.636 -11.196 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.932 -8.274 -11.547 1.00 1.00 O HETATM 69 C5' AZW A 3 -2.190 -9.310 -10.904 1.00 1.00 C HETATM 70 C1A AZW A 3 -1.068 -8.722 -10.074 1.00 1.00 C HETATM 71 C2A AZW A 3 -0.133 -7.850 -10.652 1.00 1.00 C HETATM 72 C6A AZW A 3 -0.944 -9.085 -8.725 1.00 1.00 C HETATM 73 C3A AZW A 3 0.928 -7.349 -9.880 1.00 1.00 C HETATM 74 C5A AZW A 3 0.114 -8.587 -7.958 1.00 1.00 C HETATM 75 C4A AZW A 3 1.054 -7.722 -8.532 1.00 1.00 C HETATM 76 N5A AZW A 3 2.146 -7.265 -7.762 1.00 1.00 N HETATM 77 C1B AZW A 3 6.208 -6.954 -4.704 1.00 1.00 C HETATM 78 C2B AZW A 3 6.269 -6.854 -6.102 1.00 1.00 C HETATM 79 C6B AZW A 3 5.030 -7.402 -4.090 1.00 1.00 C HETATM 80 C3B AZW A 3 5.159 -7.208 -6.882 1.00 1.00 C HETATM 81 C5B AZW A 3 3.921 -7.754 -4.872 1.00 1.00 C HETATM 82 C4B AZW A 3 3.985 -7.662 -6.268 1.00 1.00 C HETATM 83 N5B AZW A 3 2.883 -8.074 -7.055 1.00 1.00 N HETATM 84 C3' AZW A 3 7.415 -6.604 -3.858 1.00 1.00 C HETATM 85 O3' AZW A 3 8.589 -7.229 -4.369 1.00 1.00 O ATOM 98 P DG A 4 9.830 -6.335 -4.857 1.00 1.00 P ATOM 99 OP1 DG A 4 10.715 -7.196 -5.678 1.00 1.00 O ATOM 100 OP2 DG A 4 10.383 -5.640 -3.668 1.00 1.00 O ATOM 101 O5' DG A 4 9.169 -5.248 -5.814 1.00 1.00 O ATOM 102 C5' DG A 4 9.591 -3.884 -5.801 1.00 1.00 C ATOM 103 C4' DG A 4 8.999 -3.161 -6.988 1.00 1.00 C ATOM 104 O4' DG A 4 7.611 -3.548 -7.128 1.00 1.00 O ATOM 105 C3' DG A 4 8.977 -1.637 -6.888 1.00 1.00 C ATOM 106 O3' DG A 4 8.977 -1.076 -8.208 1.00 1.00 O ATOM 107 C2' DG A 4 7.654 -1.387 -6.186 1.00 1.00 C ATOM 108 C1' DG A 4 6.771 -2.437 -6.841 1.00 1.00 C ATOM 109 N9 DG A 4 5.640 -2.923 -6.058 1.00 1.00 N ATOM 110 C8 DG A 4 4.388 -3.193 -6.553 1.00 1.00 C ATOM 111 N7 DG A 4 3.561 -3.651 -5.655 1.00 1.00 N ATOM 112 C5 DG A 4 4.309 -3.685 -4.489 1.00 1.00 C ATOM 113 C6 DG A 4 3.933 -4.093 -3.187 1.00 1.00 C ATOM 114 O6 DG A 4 2.832 -4.517 -2.809 1.00 1.00 O ATOM 115 N1 DG A 4 4.978 -3.975 -2.278 1.00 1.00 N ATOM 116 C2 DG A 4 6.234 -3.516 -2.601 1.00 1.00 C ATOM 117 N2 DG A 4 7.124 -3.464 -1.600 1.00 1.00 N ATOM 118 N3 DG A 4 6.598 -3.132 -3.816 1.00 1.00 N ATOM 119 C4 DG A 4 5.593 -3.239 -4.712 1.00 1.00 C ATOM 0 H5' DG A 4 10.679 -3.829 -5.834 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.275 -3.404 -4.875 1.00 1.00 H new ATOM 0 H4' DG A 4 9.642 -3.440 -7.823 1.00 1.00 H new ATOM 0 H3' DG A 4 9.828 -1.198 -6.368 1.00 1.00 H new ATOM 0 H2' DG A 4 7.728 -1.526 -5.107 1.00 1.00 H new ATOM 0 H2'' DG A 4 7.284 -0.375 -6.353 1.00 1.00 H new ATOM 0 H1' DG A 4 6.321 -1.956 -7.710 1.00 1.00 H new ATOM 0 H8 DG A 4 4.115 -3.041 -7.587 1.00 1.00 H new ATOM 0 H1 DG A 4 4.802 -4.246 -1.310 1.00 1.00 H new ATOM 0 H21 DG A 4 8.072 -3.132 -1.777 1.00 1.00 H new ATOM 0 H22 DG A 4 6.853 -3.756 -0.661 1.00 1.00 H new ATOM 131 P DG A 5 8.974 0.514 -8.435 1.00 1.00 P ATOM 132 OP1 DG A 5 9.477 0.784 -9.803 1.00 1.00 O ATOM 133 OP2 DG A 5 9.661 1.134 -7.277 1.00 1.00 O ATOM 134 O5' DG A 5 7.434 0.912 -8.389 1.00 1.00 O ATOM 135 C5' DG A 5 6.559 0.523 -9.448 1.00 1.00 C ATOM 136 C4' DG A 5 5.118 0.837 -9.111 1.00 1.00 C ATOM 137 O4' DG A 5 4.617 -0.085 -8.122 1.00 1.00 O ATOM 138 C3' DG A 5 4.864 2.194 -8.464 1.00 1.00 C ATOM 139 O3' DG A 5 4.810 3.235 -9.445 1.00 1.00 O ATOM 140 C2' DG A 5 3.504 1.988 -7.815 1.00 1.00 C ATOM 141 C1' DG A 5 3.425 0.478 -7.589 1.00 1.00 C ATOM 142 N9 DG A 5 3.313 0.092 -6.185 1.00 1.00 N ATOM 143 C8 DG A 5 4.242 0.282 -5.193 1.00 1.00 C ATOM 144 N7 DG A 5 3.840 -0.135 -4.021 1.00 1.00 N ATOM 145 C5 DG A 5 2.565 -0.632 -4.256 1.00 1.00 C ATOM 146 C6 DG A 5 1.623 -1.220 -3.365 1.00 1.00 C ATOM 147 O6 DG A 5 1.738 -1.421 -2.144 1.00 1.00 O ATOM 148 N1 DG A 5 0.449 -1.588 -4.016 1.00 1.00 N ATOM 149 C2 DG A 5 0.218 -1.407 -5.361 1.00 1.00 C ATOM 150 N2 DG A 5 -0.969 -1.821 -5.823 1.00 1.00 N ATOM 151 N3 DG A 5 1.082 -0.862 -6.199 1.00 1.00 N ATOM 152 C4 DG A 5 2.227 -0.500 -5.586 1.00 1.00 C ATOM 0 H5' DG A 5 6.666 -0.545 -9.638 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.842 1.040 -10.365 1.00 1.00 H new ATOM 0 H4' DG A 5 4.636 0.790 -10.087 1.00 1.00 H new ATOM 0 H3' DG A 5 5.645 2.498 -7.767 1.00 1.00 H new ATOM 0 H2' DG A 5 3.423 2.537 -6.877 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.697 2.338 -8.459 1.00 1.00 H new ATOM 0 HO3' DG A 5 4.644 4.093 -9.002 1.00 1.00 H new ATOM 0 H1' DG A 5 2.521 0.114 -8.077 1.00 1.00 H new ATOM 0 H8 DG A 5 5.209 0.731 -5.364 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.289 -2.020 -3.460 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.197 -1.713 -6.811 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.645 -2.244 -5.187 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.293 2.377 1.196 1.00 1.00 O ATOM 167 C5' DG B 1 8.638 1.954 1.414 1.00 1.00 C ATOM 168 C4' DG B 1 8.778 1.308 2.772 1.00 1.00 C ATOM 169 O4' DG B 1 7.457 0.953 3.244 1.00 1.00 O ATOM 170 C3' DG B 1 9.590 0.013 2.795 1.00 1.00 C ATOM 171 O3' DG B 1 10.284 -0.108 4.042 1.00 1.00 O ATOM 172 C2' DG B 1 8.522 -1.056 2.666 1.00 1.00 C ATOM 173 C1' DG B 1 7.385 -0.447 3.463 1.00 1.00 C ATOM 174 N9 DG B 1 6.047 -0.897 3.090 1.00 1.00 N ATOM 175 C8 DG B 1 5.120 -1.471 3.925 1.00 1.00 C ATOM 176 N7 DG B 1 4.003 -1.779 3.325 1.00 1.00 N ATOM 177 C5 DG B 1 4.204 -1.387 2.011 1.00 1.00 C ATOM 178 C6 DG B 1 3.338 -1.473 0.892 1.00 1.00 C ATOM 179 O6 DG B 1 2.182 -1.923 0.850 1.00 1.00 O ATOM 180 N1 DG B 1 3.923 -0.966 -0.264 1.00 1.00 N ATOM 181 C2 DG B 1 5.192 -0.435 -0.322 1.00 1.00 C ATOM 182 N2 DG B 1 5.589 0.030 -1.515 1.00 1.00 N ATOM 183 N3 DG B 1 6.011 -0.349 0.717 1.00 1.00 N ATOM 184 C4 DG B 1 5.458 -0.840 1.845 1.00 1.00 C ATOM 0 H5' DG B 1 9.310 2.809 1.341 1.00 1.00 H new ATOM 0 H5'' DG B 1 8.934 1.249 0.637 1.00 1.00 H new ATOM 0 H4' DG B 1 9.301 2.041 3.387 1.00 1.00 H new ATOM 0 H3' DG B 1 10.350 -0.045 2.015 1.00 1.00 H new ATOM 0 H2' DG B 1 8.245 -1.235 1.627 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.846 -2.011 3.079 1.00 1.00 H new ATOM 0 HO5' DG B 1 6.732 1.597 1.005 1.00 1.00 H new ATOM 0 H1' DG B 1 7.513 -0.754 4.501 1.00 1.00 H new ATOM 0 H8 DG B 1 5.298 -1.650 4.975 1.00 1.00 H new ATOM 0 H1 DG B 1 3.376 -0.989 -1.125 1.00 1.00 H new ATOM 0 H21 DG B 1 6.519 0.435 -1.621 1.00 1.00 H new ATOM 0 H22 DG B 1 4.961 -0.021 -2.317 1.00 1.00 H new ATOM 197 P DG B 2 11.465 -1.181 4.219 1.00 1.00 P ATOM 198 OP1 DG B 2 12.368 -0.652 5.268 1.00 1.00 O ATOM 199 OP2 DG B 2 12.014 -1.514 2.885 1.00 1.00 O ATOM 200 O5' DG B 2 10.731 -2.469 4.796 1.00 1.00 O ATOM 201 C5' DG B 2 10.021 -2.399 6.030 1.00 1.00 C ATOM 202 C4' DG B 2 9.095 -3.583 6.180 1.00 1.00 C ATOM 203 O4' DG B 2 8.019 -3.478 5.215 1.00 1.00 O ATOM 204 C3' DG B 2 9.742 -4.951 5.941 1.00 1.00 C ATOM 205 O3' DG B 2 9.328 -5.861 6.967 1.00 1.00 O ATOM 206 C2' DG B 2 9.178 -5.370 4.596 1.00 1.00 C ATOM 207 C1' DG B 2 7.794 -4.768 4.683 1.00 1.00 C ATOM 208 N9 DG B 2 7.069 -4.656 3.421 1.00 1.00 N ATOM 209 C8 DG B 2 7.549 -4.243 2.200 1.00 1.00 C ATOM 210 N7 DG B 2 6.648 -4.273 1.254 1.00 1.00 N ATOM 211 C5 DG B 2 5.503 -4.737 1.888 1.00 1.00 C ATOM 212 C6 DG B 2 4.203 -4.980 1.377 1.00 1.00 C ATOM 213 O6 DG B 2 3.790 -4.809 0.220 1.00 1.00 O ATOM 214 N1 DG B 2 3.334 -5.450 2.360 1.00 1.00 N ATOM 215 C2 DG B 2 3.690 -5.653 3.677 1.00 1.00 C ATOM 216 N2 DG B 2 2.737 -6.105 4.503 1.00 1.00 N ATOM 217 N3 DG B 2 4.897 -5.429 4.165 1.00 1.00 N ATOM 218 C4 DG B 2 5.748 -4.975 3.223 1.00 1.00 C ATOM 0 H5' DG B 2 9.446 -1.474 6.073 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.726 -2.375 6.861 1.00 1.00 H new ATOM 0 H4' DG B 2 8.765 -3.542 7.218 1.00 1.00 H new ATOM 0 H3' DG B 2 10.832 -4.932 5.955 1.00 1.00 H new ATOM 0 H2' DG B 2 9.753 -4.969 3.761 1.00 1.00 H new ATOM 0 H2'' DG B 2 9.153 -6.453 4.475 1.00 1.00 H new ATOM 0 H1' DG B 2 7.158 -5.418 5.283 1.00 1.00 H new ATOM 0 H8 DG B 2 8.569 -3.926 2.039 1.00 1.00 H new ATOM 0 H1 DG B 2 2.373 -5.657 2.088 1.00 1.00 H new ATOM 0 H21 DG B 2 2.951 -6.271 5.486 1.00 1.00 H new ATOM 0 H22 DG B 2 1.797 -6.283 4.148 1.00 1.00 H new HETATM 230 P AZW B 3 10.130 -7.222 7.250 1.00 1.00 P HETATM 231 OP1 AZW B 3 10.250 -7.379 8.717 1.00 1.00 O HETATM 232 OP2 AZW B 3 11.354 -7.226 6.415 1.00 1.00 O HETATM 233 O5' AZW B 3 9.166 -8.362 6.696 1.00 1.00 O HETATM 234 C5' AZW B 3 8.043 -8.806 7.452 1.00 1.00 C HETATM 235 C1A AZW B 3 6.915 -9.197 6.520 1.00 1.00 C HETATM 236 C2A AZW B 3 5.630 -9.394 7.040 1.00 1.00 C HETATM 237 C6A AZW B 3 7.145 -9.377 5.143 1.00 1.00 C HETATM 238 C3A AZW B 3 4.583 -9.773 6.199 1.00 1.00 C HETATM 239 C5A AZW B 3 6.092 -9.757 4.302 1.00 1.00 C HETATM 240 C4A AZW B 3 4.812 -9.958 4.832 1.00 1.00 C HETATM 241 N5A AZW B 3 3.756 -10.379 4.005 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.394 -10.871 1.200 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.208 -11.400 2.487 1.00 1.00 C HETATM 244 C6B AZW B 3 0.503 -9.917 0.705 1.00 1.00 C HETATM 245 C3B AZW B 3 0.866 -10.973 3.269 1.00 1.00 C HETATM 246 C5B AZW B 3 1.580 -9.489 1.494 1.00 1.00 C HETATM 247 C4B AZW B 3 1.759 -10.018 2.774 1.00 1.00 C HETATM 248 N5B AZW B 3 2.823 -9.582 3.585 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.564 -11.319 0.346 1.00 1.00 C HETATM 250 O3' AZW B 3 -2.112 -12.541 0.829 1.00 1.00 O ATOM 263 P DG B 4 -3.501 -12.540 1.631 1.00 1.00 P ATOM 264 OP1 DG B 4 -3.542 -13.752 2.486 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.583 -12.307 0.646 1.00 1.00 O ATOM 266 O5' DG B 4 -3.413 -11.265 2.577 1.00 1.00 O ATOM 267 C5' DG B 4 -4.588 -10.731 3.187 1.00 1.00 C ATOM 268 C4' DG B 4 -4.292 -10.321 4.610 1.00 1.00 C ATOM 269 O4' DG B 4 -2.919 -9.863 4.690 1.00 1.00 O ATOM 270 C3' DG B 4 -5.138 -9.168 5.149 1.00 1.00 C ATOM 271 O3' DG B 4 -5.302 -9.300 6.569 1.00 1.00 O ATOM 272 C2' DG B 4 -4.290 -7.956 4.808 1.00 1.00 C ATOM 273 C1' DG B 4 -2.891 -8.489 5.054 1.00 1.00 C ATOM 274 N9 DG B 4 -1.825 -7.839 4.294 1.00 1.00 N ATOM 275 C8 DG B 4 -0.638 -7.374 4.805 1.00 1.00 C ATOM 276 N7 DG B 4 0.145 -6.850 3.903 1.00 1.00 N ATOM 277 C5 DG B 4 -0.568 -6.973 2.720 1.00 1.00 C ATOM 278 C6 DG B 4 -0.217 -6.577 1.407 1.00 1.00 C ATOM 279 O6 DG B 4 0.822 -6.020 1.029 1.00 1.00 O ATOM 280 N1 DG B 4 -1.213 -6.881 0.488 1.00 1.00 N ATOM 281 C2 DG B 4 -2.403 -7.492 0.808 1.00 1.00 C ATOM 282 N2 DG B 4 -3.247 -7.713 -0.212 1.00 1.00 N ATOM 283 N3 DG B 4 -2.744 -7.866 2.030 1.00 1.00 N ATOM 284 C4 DG B 4 -1.786 -7.579 2.938 1.00 1.00 C ATOM 0 H5' DG B 4 -5.385 -11.475 3.173 1.00 1.00 H new ATOM 0 H5'' DG B 4 -4.944 -9.871 2.619 1.00 1.00 H new ATOM 0 H4' DG B 4 -4.511 -11.208 5.204 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.145 -9.120 4.734 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.431 -7.634 3.776 1.00 1.00 H new ATOM 0 H2'' DG B 4 -4.521 -7.101 5.444 1.00 1.00 H new ATOM 0 H1' DG B 4 -2.654 -8.299 6.101 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.378 -7.436 5.851 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.051 -6.635 -0.489 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.146 -8.163 -0.041 1.00 1.00 H new ATOM 0 H22 DG B 4 -2.989 -7.431 -1.158 1.00 1.00 H new ATOM 296 P DG B 5 -6.258 -8.298 7.380 1.00 1.00 P ATOM 297 OP1 DG B 5 -6.686 -9.000 8.616 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.292 -7.776 6.455 1.00 1.00 O ATOM 299 O5' DG B 5 -5.299 -7.097 7.798 1.00 1.00 O ATOM 300 C5' DG B 5 -4.182 -7.331 8.655 1.00 1.00 C ATOM 301 C4' DG B 5 -3.216 -6.170 8.614 1.00 1.00 C ATOM 302 O4' DG B 5 -2.709 -6.000 7.269 1.00 1.00 O ATOM 303 C3' DG B 5 -3.808 -4.810 9.010 1.00 1.00 C ATOM 304 O3' DG B 5 -3.114 -4.268 10.141 1.00 1.00 O ATOM 305 C2' DG B 5 -3.594 -3.933 7.785 1.00 1.00 C ATOM 306 C1' DG B 5 -2.434 -4.626 7.099 1.00 1.00 C ATOM 307 N9 DG B 5 -2.278 -4.330 5.677 1.00 1.00 N ATOM 308 C8 DG B 5 -3.225 -4.438 4.686 1.00 1.00 C ATOM 309 N7 DG B 5 -2.787 -4.069 3.511 1.00 1.00 N ATOM 310 C5 DG B 5 -1.469 -3.694 3.738 1.00 1.00 C ATOM 311 C6 DG B 5 -0.481 -3.203 2.840 1.00 1.00 C ATOM 312 O6 DG B 5 -0.586 -2.981 1.623 1.00 1.00 O ATOM 313 N1 DG B 5 0.726 -2.946 3.483 1.00 1.00 N ATOM 314 C2 DG B 5 0.947 -3.140 4.826 1.00 1.00 C ATOM 315 N2 DG B 5 2.174 -2.843 5.275 1.00 1.00 N ATOM 316 N3 DG B 5 0.038 -3.593 5.673 1.00 1.00 N ATOM 317 C4 DG B 5 -1.141 -3.850 5.068 1.00 1.00 C ATOM 0 H5' DG B 5 -3.671 -8.245 8.351 1.00 1.00 H new ATOM 0 H5'' DG B 5 -4.529 -7.484 9.677 1.00 1.00 H new ATOM 0 H4' DG B 5 -2.451 -6.436 9.344 1.00 1.00 H new ATOM 0 H3' DG B 5 -4.858 -4.881 9.295 1.00 1.00 H new ATOM 0 H2' DG B 5 -4.480 -3.895 7.151 1.00 1.00 H new ATOM 0 H2'' DG B 5 -3.352 -2.905 8.056 1.00 1.00 H new ATOM 0 HO3' DG B 5 -3.503 -3.401 10.379 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.498 -4.282 7.538 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.230 -4.792 4.861 1.00 1.00 H new ATOM 0 H1 DG B 5 1.499 -2.590 2.920 1.00 1.00 H new ATOM 0 H21 DG B 5 2.399 -2.966 6.262 1.00 1.00 H new ATOM 0 H22 DG B 5 2.883 -2.494 4.630 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.752 2.302 -2.987 1.00 1.00 O ATOM 332 C5' DG C 1 7.298 3.536 -3.450 1.00 1.00 C ATOM 333 C4' DG C 1 6.589 3.993 -4.701 1.00 1.00 C ATOM 334 O4' DG C 1 5.311 3.317 -4.780 1.00 1.00 O ATOM 335 C3' DG C 1 6.276 5.489 -4.763 1.00 1.00 C ATOM 336 O3' DG C 1 6.397 5.951 -6.113 1.00 1.00 O ATOM 337 C2' DG C 1 4.835 5.558 -4.293 1.00 1.00 C ATOM 338 C1' DG C 1 4.265 4.273 -4.862 1.00 1.00 C ATOM 339 N9 DG C 1 3.104 3.733 -4.162 1.00 1.00 N ATOM 340 C8 DG C 1 1.878 3.439 -4.710 1.00 1.00 C ATOM 341 N7 DG C 1 1.034 2.938 -3.851 1.00 1.00 N ATOM 342 C5 DG C 1 1.744 2.900 -2.660 1.00 1.00 C ATOM 343 C6 DG C 1 1.344 2.454 -1.376 1.00 1.00 C ATOM 344 O6 DG C 1 0.252 1.968 -1.039 1.00 1.00 O ATOM 345 N1 DG C 1 2.359 2.589 -0.434 1.00 1.00 N ATOM 346 C2 DG C 1 3.613 3.089 -0.712 1.00 1.00 C ATOM 347 N2 DG C 1 4.481 3.127 0.312 1.00 1.00 N ATOM 348 N3 DG C 1 4.001 3.507 -1.908 1.00 1.00 N ATOM 349 C4 DG C 1 3.022 3.387 -2.832 1.00 1.00 C ATOM 0 H5' DG C 1 8.362 3.416 -3.652 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.204 4.296 -2.674 1.00 1.00 H new ATOM 0 H4' DG C 1 7.275 3.762 -5.516 1.00 1.00 H new ATOM 0 H3' DG C 1 6.945 6.106 -4.163 1.00 1.00 H new ATOM 0 H2' DG C 1 4.760 5.593 -3.206 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.321 6.439 -4.677 1.00 1.00 H new ATOM 0 HO5' DG C 1 5.875 2.157 -3.400 1.00 1.00 H new ATOM 0 H1' DG C 1 3.914 4.490 -5.871 1.00 1.00 H new ATOM 0 H8 DG C 1 1.637 3.606 -5.749 1.00 1.00 H new ATOM 0 H1 DG C 1 2.162 2.299 0.524 1.00 1.00 H new ATOM 0 H21 DG C 1 5.424 3.487 0.168 1.00 1.00 H new ATOM 0 H22 DG C 1 4.197 2.796 1.234 1.00 1.00 H new ATOM 362 P DG C 2 6.476 7.521 -6.443 1.00 1.00 P ATOM 363 OP1 DG C 2 7.227 7.679 -7.712 1.00 1.00 O ATOM 364 OP2 DG C 2 6.945 8.222 -5.224 1.00 1.00 O ATOM 365 O5' DG C 2 4.963 7.931 -6.705 1.00 1.00 O ATOM 366 C5' DG C 2 4.191 7.265 -7.702 1.00 1.00 C ATOM 367 C4' DG C 2 2.737 7.653 -7.570 1.00 1.00 C ATOM 368 O4' DG C 2 2.142 6.896 -6.487 1.00 1.00 O ATOM 369 C3' DG C 2 2.499 9.128 -7.238 1.00 1.00 C ATOM 370 O3' DG C 2 1.496 9.667 -8.104 1.00 1.00 O ATOM 371 C2' DG C 2 2.013 9.104 -5.801 1.00 1.00 C ATOM 372 C1' DG C 2 1.310 7.763 -5.741 1.00 1.00 C ATOM 373 N9 DG C 2 1.134 7.211 -4.402 1.00 1.00 N ATOM 374 C8 DG C 2 2.000 7.296 -3.339 1.00 1.00 C ATOM 375 N7 DG C 2 1.543 6.735 -2.253 1.00 1.00 N ATOM 376 C5 DG C 2 0.295 6.250 -2.619 1.00 1.00 C ATOM 377 C6 DG C 2 -0.672 5.548 -1.859 1.00 1.00 C ATOM 378 O6 DG C 2 -0.610 5.203 -0.668 1.00 1.00 O ATOM 379 N1 DG C 2 -1.804 5.237 -2.609 1.00 1.00 N ATOM 380 C2 DG C 2 -1.969 5.568 -3.937 1.00 1.00 C ATOM 381 N2 DG C 2 -3.115 5.180 -4.516 1.00 1.00 N ATOM 382 N3 DG C 2 -1.072 6.223 -4.658 1.00 1.00 N ATOM 383 C4 DG C 2 0.029 6.532 -3.941 1.00 1.00 C ATOM 0 H5' DG C 2 4.299 6.185 -7.597 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.558 7.528 -8.694 1.00 1.00 H new ATOM 0 H4' DG C 2 2.296 7.448 -8.545 1.00 1.00 H new ATOM 0 H3' DG C 2 3.387 9.746 -7.366 1.00 1.00 H new ATOM 0 H2' DG C 2 2.836 9.168 -5.089 1.00 1.00 H new ATOM 0 H2'' DG C 2 1.338 9.931 -5.583 1.00 1.00 H new ATOM 0 H1' DG C 2 0.296 7.879 -6.123 1.00 1.00 H new ATOM 0 H8 DG C 2 2.964 7.779 -3.396 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.559 4.732 -2.146 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.290 5.398 -5.497 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.811 4.667 -3.975 1.00 1.00 H new HETATM 395 P AZW C 3 1.417 11.248 -8.361 1.00 1.00 P HETATM 396 OP1 AZW C 3 1.552 11.481 -9.817 1.00 1.00 O HETATM 397 OP2 AZW C 3 2.364 11.905 -7.433 1.00 1.00 O HETATM 398 O5' AZW C 3 -0.064 11.638 -7.922 1.00 1.00 O HETATM 399 C5' AZW C 3 -1.196 10.938 -8.440 1.00 1.00 C HETATM 400 C1A AZW C 3 -2.111 10.504 -7.313 1.00 1.00 C HETATM 401 C2A AZW C 3 -3.327 9.879 -7.619 1.00 1.00 C HETATM 402 C6A AZW C 3 -1.760 10.726 -5.969 1.00 1.00 C HETATM 403 C3A AZW C 3 -4.188 9.476 -6.596 1.00 1.00 C HETATM 404 C5A AZW C 3 -2.628 10.320 -4.943 1.00 1.00 C HETATM 405 C4A AZW C 3 -3.841 9.695 -5.258 1.00 1.00 C HETATM 406 N5A AZW C 3 -4.717 9.280 -4.233 1.00 1.00 N HETATM 407 C1B AZW C 3 -7.071 7.134 -0.336 1.00 1.00 C HETATM 408 C2B AZW C 3 -7.233 6.684 -1.649 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.015 7.999 -0.019 1.00 1.00 C HETATM 410 C3B AZW C 3 -6.348 7.096 -2.647 1.00 1.00 C HETATM 411 C5B AZW C 3 -5.125 8.414 -1.020 1.00 1.00 C HETATM 412 C4B AZW C 3 -5.292 7.961 -2.335 1.00 1.00 C HETATM 413 N5B AZW C 3 -4.406 8.378 -3.351 1.00 1.00 N HETATM 414 C3' AZW C 3 -8.042 6.693 0.738 1.00 1.00 C HETATM 415 O3' AZW C 3 -9.318 7.288 0.531 1.00 1.00 O ATOM 428 P DG C 4 -10.618 6.367 0.330 1.00 1.00 P ATOM 429 OP1 DG C 4 -11.686 7.229 -0.234 1.00 1.00 O ATOM 430 OP2 DG C 4 -10.868 5.633 1.593 1.00 1.00 O ATOM 431 O5' DG C 4 -10.191 5.316 -0.787 1.00 1.00 O ATOM 432 C5' DG C 4 -10.993 4.168 -1.063 1.00 1.00 C ATOM 433 C4' DG C 4 -10.904 3.824 -2.532 1.00 1.00 C ATOM 434 O4' DG C 4 -9.620 4.264 -3.039 1.00 1.00 O ATOM 435 C3' DG C 4 -10.981 2.335 -2.868 1.00 1.00 C ATOM 436 O3' DG C 4 -11.519 2.160 -4.187 1.00 1.00 O ATOM 437 C2' DG C 4 -9.522 1.923 -2.810 1.00 1.00 C ATOM 438 C1' DG C 4 -8.843 3.137 -3.422 1.00 1.00 C ATOM 439 N9 DG C 4 -7.461 3.377 -3.011 1.00 1.00 N ATOM 440 C8 DG C 4 -6.427 3.742 -3.838 1.00 1.00 C ATOM 441 N7 DG C 4 -5.300 3.934 -3.210 1.00 1.00 N ATOM 442 C5 DG C 4 -5.604 3.678 -1.881 1.00 1.00 C ATOM 443 C6 DG C 4 -4.774 3.724 -0.735 1.00 1.00 C ATOM 444 O6 DG C 4 -3.569 4.008 -0.675 1.00 1.00 O ATOM 445 N1 DG C 4 -5.464 3.396 0.427 1.00 1.00 N ATOM 446 C2 DG C 4 -6.798 3.060 0.466 1.00 1.00 C ATOM 447 N2 DG C 4 -7.306 2.774 1.676 1.00 1.00 N ATOM 448 N3 DG C 4 -7.584 3.013 -0.598 1.00 1.00 N ATOM 449 C4 DG C 4 -6.931 3.330 -1.736 1.00 1.00 C ATOM 0 H5' DG C 4 -12.030 4.362 -0.788 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.656 3.324 -0.461 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.768 4.316 -2.979 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.620 1.752 -2.205 1.00 1.00 H new ATOM 0 H2' DG C 4 -9.188 1.737 -1.789 1.00 1.00 H new ATOM 0 H2'' DG C 4 -9.329 1.014 -3.379 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.789 2.959 -4.496 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.537 3.859 -4.906 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.948 3.405 1.307 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.289 2.518 1.769 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.709 2.813 2.502 1.00 1.00 H new ATOM 461 P DG C 5 -11.782 0.691 -4.783 1.00 1.00 P ATOM 462 OP1 DG C 5 -12.769 0.814 -5.882 1.00 1.00 O ATOM 463 OP2 DG C 5 -12.076 -0.216 -3.648 1.00 1.00 O ATOM 464 O5' DG C 5 -10.382 0.268 -5.414 1.00 1.00 O ATOM 465 C5' DG C 5 -9.842 0.994 -6.518 1.00 1.00 C ATOM 466 C4' DG C 5 -8.395 0.629 -6.756 1.00 1.00 C ATOM 467 O4' DG C 5 -7.579 1.040 -5.642 1.00 1.00 O ATOM 468 C3' DG C 5 -8.103 -0.864 -6.889 1.00 1.00 C ATOM 469 O3' DG C 5 -8.158 -1.268 -8.260 1.00 1.00 O ATOM 470 C2' DG C 5 -6.695 -1.024 -6.327 1.00 1.00 C ATOM 471 C1' DG C 5 -6.346 0.354 -5.768 1.00 1.00 C ATOM 472 N9 DG C 5 -5.678 0.342 -4.471 1.00 1.00 N ATOM 473 C8 DG C 5 -6.184 -0.113 -3.274 1.00 1.00 C ATOM 474 N7 DG C 5 -5.342 -0.003 -2.281 1.00 1.00 N ATOM 475 C5 DG C 5 -4.208 0.557 -2.853 1.00 1.00 C ATOM 476 C6 DG C 5 -2.958 0.910 -2.270 1.00 1.00 C ATOM 477 O6 DG C 5 -2.589 0.774 -1.092 1.00 1.00 O ATOM 478 N1 DG C 5 -2.080 1.454 -3.202 1.00 1.00 N ATOM 479 C2 DG C 5 -2.376 1.628 -4.534 1.00 1.00 C ATOM 480 N2 DG C 5 -1.403 2.151 -5.295 1.00 1.00 N ATOM 481 N3 DG C 5 -3.532 1.303 -5.091 1.00 1.00 N ATOM 482 C4 DG C 5 -4.398 0.777 -4.200 1.00 1.00 C ATOM 0 H5' DG C 5 -9.923 2.064 -6.328 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.425 0.784 -7.415 1.00 1.00 H new ATOM 0 H4' DG C 5 -8.172 1.132 -7.697 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.830 -1.482 -6.362 1.00 1.00 H new ATOM 0 H2' DG C 5 -6.663 -1.787 -5.550 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.991 -1.328 -7.102 1.00 1.00 H new ATOM 0 HO3' DG C 5 -7.967 -2.227 -8.326 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.635 0.826 -6.446 1.00 1.00 H new ATOM 0 H8 DG C 5 -7.178 -0.520 -3.167 1.00 1.00 H new ATOM 0 H1 DG C 5 -1.157 1.742 -2.877 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.561 2.304 -6.291 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.505 2.395 -4.878 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -6.721 -3.873 3.016 1.00 1.00 O ATOM 497 C5' DG D 1 -7.869 -3.509 3.781 1.00 1.00 C ATOM 498 C4' DG D 1 -7.474 -3.119 5.185 1.00 1.00 C ATOM 499 O4' DG D 1 -6.050 -2.854 5.207 1.00 1.00 O ATOM 500 C3' DG D 1 -8.151 -1.854 5.713 1.00 1.00 C ATOM 501 O3' DG D 1 -8.482 -2.009 7.098 1.00 1.00 O ATOM 502 C2' DG D 1 -7.097 -0.779 5.527 1.00 1.00 C ATOM 503 C1' DG D 1 -5.810 -1.554 5.720 1.00 1.00 C ATOM 504 N9 DG D 1 -4.653 -0.996 5.028 1.00 1.00 N ATOM 505 C8 DG D 1 -3.466 -0.613 5.600 1.00 1.00 C ATOM 506 N7 DG D 1 -2.605 -0.140 4.742 1.00 1.00 N ATOM 507 C5 DG D 1 -3.268 -0.211 3.524 1.00 1.00 C ATOM 508 C6 DG D 1 -2.837 0.165 2.227 1.00 1.00 C ATOM 509 O6 DG D 1 -1.741 0.639 1.889 1.00 1.00 O ATOM 510 N1 DG D 1 -3.814 -0.066 1.264 1.00 1.00 N ATOM 511 C2 DG D 1 -5.053 -0.603 1.529 1.00 1.00 C ATOM 512 N2 DG D 1 -5.869 -0.775 0.477 1.00 1.00 N ATOM 513 N3 DG D 1 -5.467 -0.960 2.733 1.00 1.00 N ATOM 514 C4 DG D 1 -4.531 -0.738 3.680 1.00 1.00 C ATOM 0 H5' DG D 1 -8.570 -4.343 3.814 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.385 -2.678 3.299 1.00 1.00 H new ATOM 0 H4' DG D 1 -7.783 -3.952 5.816 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.084 -1.620 5.200 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.152 -0.322 4.539 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.202 0.024 6.257 1.00 1.00 H new ATOM 0 HO5' DG D 1 -5.913 -3.544 3.462 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.561 -1.529 6.781 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.264 -0.695 6.658 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.598 0.179 0.298 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.800 -1.169 0.613 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.558 -0.512 -0.458 1.00 1.00 H new ATOM 527 P DG D 2 -9.413 -0.920 7.822 1.00 1.00 P ATOM 528 OP1 DG D 2 -10.092 -1.599 8.950 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.227 -0.239 6.789 1.00 1.00 O ATOM 530 O5' DG D 2 -8.385 0.132 8.429 1.00 1.00 O ATOM 531 C5' DG D 2 -7.341 -0.288 9.307 1.00 1.00 C ATOM 532 C4' DG D 2 -6.338 0.825 9.497 1.00 1.00 C ATOM 533 O4' DG D 2 -5.584 1.008 8.271 1.00 1.00 O ATOM 534 C3' DG D 2 -6.950 2.193 9.817 1.00 1.00 C ATOM 535 O3' DG D 2 -6.164 2.864 10.808 1.00 1.00 O ATOM 536 C2' DG D 2 -6.862 2.926 8.492 1.00 1.00 C ATOM 537 C1' DG D 2 -5.547 2.392 7.969 1.00 1.00 C ATOM 538 N9 DG D 2 -5.327 2.568 6.537 1.00 1.00 N ATOM 539 C8 DG D 2 -6.251 2.453 5.526 1.00 1.00 C ATOM 540 N7 DG D 2 -5.760 2.716 4.345 1.00 1.00 N ATOM 541 C5 DG D 2 -4.430 3.027 4.591 1.00 1.00 C ATOM 542 C6 DG D 2 -3.394 3.397 3.695 1.00 1.00 C ATOM 543 O6 DG D 2 -3.451 3.510 2.462 1.00 1.00 O ATOM 544 N1 DG D 2 -2.191 3.627 4.354 1.00 1.00 N ATOM 545 C2 DG D 2 -2.018 3.509 5.717 1.00 1.00 C ATOM 546 N2 DG D 2 -0.792 3.761 6.192 1.00 1.00 N ATOM 547 N3 DG D 2 -2.974 3.164 6.562 1.00 1.00 N ATOM 548 C4 DG D 2 -4.147 2.939 5.936 1.00 1.00 C ATOM 0 H5' DG D 2 -6.845 -1.168 8.898 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.761 -0.577 10.270 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.732 0.511 10.347 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.965 2.133 10.211 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.697 2.691 7.832 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.850 4.009 8.617 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.730 2.944 8.433 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.281 2.173 5.692 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.384 3.901 3.793 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.608 3.689 7.193 1.00 1.00 H new ATOM 0 H22 DG D 2 -0.042 4.025 5.553 1.00 1.00 H new HETATM 560 P AZW D 3 -6.869 3.754 11.944 1.00 1.00 P HETATM 561 OP1 AZW D 3 -6.824 2.974 13.204 1.00 1.00 O HETATM 562 OP2 AZW D 3 -8.179 4.235 11.435 1.00 1.00 O HETATM 563 O5' AZW D 3 -5.908 5.014 12.102 1.00 1.00 O HETATM 564 C5' AZW D 3 -4.488 4.870 12.114 1.00 1.00 C HETATM 565 C1A AZW D 3 -3.894 5.409 10.828 1.00 1.00 C HETATM 566 C2A AZW D 3 -2.579 5.073 10.477 1.00 1.00 C HETATM 567 C6A AZW D 3 -4.644 6.254 9.993 1.00 1.00 C HETATM 568 C3A AZW D 3 -2.013 5.581 9.299 1.00 1.00 C HETATM 569 C5A AZW D 3 -4.075 6.760 8.814 1.00 1.00 C HETATM 570 C4A AZW D 3 -2.761 6.425 8.467 1.00 1.00 C HETATM 571 N5A AZW D 3 -2.192 6.950 7.284 1.00 1.00 N HETATM 572 C1B AZW D 3 0.716 9.033 3.703 1.00 1.00 C HETATM 573 C2B AZW D 3 1.199 9.424 4.959 1.00 1.00 C HETATM 574 C6B AZW D 3 -0.330 8.103 3.616 1.00 1.00 C HETATM 575 C3B AZW D 3 0.636 8.887 6.124 1.00 1.00 C HETATM 576 C5B AZW D 3 -0.892 7.565 4.781 1.00 1.00 C HETATM 577 C4B AZW D 3 -0.409 7.956 6.038 1.00 1.00 C HETATM 578 N5B AZW D 3 -0.980 7.424 7.220 1.00 1.00 N HETATM 579 C3' AZW D 3 1.321 9.597 2.432 1.00 1.00 C HETATM 580 O3' AZW D 3 2.114 10.751 2.697 1.00 1.00 O ATOM 593 P DG D 4 3.704 10.700 2.475 1.00 1.00 P ATOM 594 OP1 DG D 4 4.261 12.032 2.812 1.00 1.00 O ATOM 595 OP2 DG D 4 3.961 10.128 1.131 1.00 1.00 O ATOM 596 O5' DG D 4 4.205 9.662 3.570 1.00 1.00 O ATOM 597 C5' DG D 4 5.445 8.972 3.426 1.00 1.00 C ATOM 598 C4' DG D 4 5.805 8.311 4.737 1.00 1.00 C ATOM 599 O4' DG D 4 4.614 7.709 5.300 1.00 1.00 O ATOM 600 C3' DG D 4 6.818 7.172 4.649 1.00 1.00 C ATOM 601 O3' DG D 4 7.496 7.028 5.901 1.00 1.00 O ATOM 602 C2' DG D 4 5.925 5.974 4.382 1.00 1.00 C ATOM 603 C1' DG D 4 4.719 6.292 5.252 1.00 1.00 C ATOM 604 N9 DG D 4 3.441 5.757 4.785 1.00 1.00 N ATOM 605 C8 DG D 4 2.509 5.108 5.555 1.00 1.00 C ATOM 606 N7 DG D 4 1.438 4.767 4.895 1.00 1.00 N ATOM 607 C5 DG D 4 1.674 5.216 3.605 1.00 1.00 C ATOM 608 C6 DG D 4 0.860 5.126 2.450 1.00 1.00 C ATOM 609 O6 DG D 4 -0.265 4.616 2.350 1.00 1.00 O ATOM 610 N1 DG D 4 1.461 5.705 1.337 1.00 1.00 N ATOM 611 C2 DG D 4 2.705 6.295 1.351 1.00 1.00 C ATOM 612 N2 DG D 4 3.133 6.819 0.192 1.00 1.00 N ATOM 613 N3 DG D 4 3.475 6.384 2.425 1.00 1.00 N ATOM 614 C4 DG D 4 2.904 5.828 3.514 1.00 1.00 C ATOM 0 H5' DG D 4 6.229 9.668 3.129 1.00 1.00 H new ATOM 0 H5'' DG D 4 5.368 8.224 2.637 1.00 1.00 H new ATOM 0 H4' DG D 4 6.244 9.113 5.330 1.00 1.00 H new ATOM 0 H3' DG D 4 7.593 7.315 3.896 1.00 1.00 H new ATOM 0 H2' DG D 4 5.659 5.888 3.328 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.401 5.036 4.668 1.00 1.00 H new ATOM 0 H1' DG D 4 4.893 5.817 6.218 1.00 1.00 H new ATOM 0 H8 DG D 4 2.649 4.900 6.605 1.00 1.00 H new ATOM 0 H1 DG D 4 0.948 5.692 0.455 1.00 1.00 H new ATOM 0 H21 DG D 4 4.047 7.269 0.142 1.00 1.00 H new ATOM 0 H22 DG D 4 2.544 6.767 -0.639 1.00 1.00 H new ATOM 626 P DG D 5 8.725 6.002 6.055 1.00 1.00 P ATOM 627 OP1 DG D 5 9.527 6.461 7.214 1.00 1.00 O ATOM 628 OP2 DG D 5 9.382 5.834 4.737 1.00 1.00 O ATOM 629 O5' DG D 5 8.042 4.622 6.455 1.00 1.00 O ATOM 630 C5' DG D 5 7.387 4.477 7.714 1.00 1.00 C ATOM 631 C4' DG D 5 6.534 3.229 7.733 1.00 1.00 C ATOM 632 O4' DG D 5 5.391 3.388 6.871 1.00 1.00 O ATOM 633 C3' DG D 5 7.193 1.957 7.208 1.00 1.00 C ATOM 634 O3' DG D 5 7.959 1.314 8.235 1.00 1.00 O ATOM 635 C2' DG D 5 6.001 1.102 6.803 1.00 1.00 C ATOM 636 C1' DG D 5 4.846 2.095 6.655 1.00 1.00 C ATOM 637 N9 DG D 5 4.195 2.079 5.347 1.00 1.00 N ATOM 638 C8 DG D 5 4.742 2.449 4.142 1.00 1.00 C ATOM 639 N7 DG D 5 3.916 2.324 3.139 1.00 1.00 N ATOM 640 C5 DG D 5 2.749 1.836 3.714 1.00 1.00 C ATOM 641 C6 DG D 5 1.501 1.502 3.121 1.00 1.00 C ATOM 642 O6 DG D 5 1.174 1.558 1.924 1.00 1.00 O ATOM 643 N1 DG D 5 0.584 1.045 4.064 1.00 1.00 N ATOM 644 C2 DG D 5 0.847 0.926 5.410 1.00 1.00 C ATOM 645 N2 DG D 5 -0.156 0.469 6.174 1.00 1.00 N ATOM 646 N3 DG D 5 2.004 1.231 5.974 1.00 1.00 N ATOM 647 C4 DG D 5 2.905 1.679 5.076 1.00 1.00 C ATOM 0 H5' DG D 5 6.766 5.351 7.909 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.128 4.429 8.512 1.00 1.00 H new ATOM 0 H4' DG D 5 6.309 3.116 8.793 1.00 1.00 H new ATOM 0 H3' DG D 5 7.892 2.139 6.392 1.00 1.00 H new ATOM 0 H2' DG D 5 6.191 0.573 5.869 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.780 0.347 7.557 1.00 1.00 H new ATOM 0 HO3' DG D 5 8.370 0.500 7.875 1.00 1.00 H new ATOM 0 H1' DG D 5 4.075 1.816 7.374 1.00 1.00 H new ATOM 0 H8 DG D 5 5.755 2.808 4.035 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.345 0.781 3.735 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.022 0.359 7.179 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.053 0.231 5.750 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.360 -4.092 -0.653 1.00 1.00 K HETATM 662 K K A 102 -0.007 -0.498 0.127 1.00 1.00 K HETATM 663 K K C 101 -1.526 3.079 0.674 1.00 1.00 K