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 -81:sc= 0.439 USER MOD Single : A 5 DG O3' : rot 140:sc= 0 USER MOD Single : B 1 DG O5' : rot -16:sc= 0.617 USER MOD Single : B 5 DG O3' : rot 180:sc= 0 USER MOD Single : C 1 DG O5' : rot -15:sc= 0.439 USER MOD Single : C 5 DG O3' : rot 180:sc= 0 USER MOD Single : D 1 DG O5' : rot -23:sc= 0.457 USER MOD Single : D 5 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -7.875 -3.066 -0.910 1.00 1.00 O ATOM 2 C5' DG A 1 -8.296 -4.323 -1.437 1.00 1.00 C ATOM 3 C4' DG A 1 -8.253 -4.308 -2.945 1.00 1.00 C ATOM 4 O4' DG A 1 -7.202 -3.401 -3.357 1.00 1.00 O ATOM 5 C3' DG A 1 -7.939 -5.650 -3.609 1.00 1.00 C ATOM 6 O3' DG A 1 -8.653 -5.756 -4.847 1.00 1.00 O ATOM 7 C2' DG A 1 -6.442 -5.577 -3.842 1.00 1.00 C ATOM 8 C1' DG A 1 -6.222 -4.099 -4.111 1.00 1.00 C ATOM 9 N9 DG A 1 -4.904 -3.598 -3.730 1.00 1.00 N ATOM 10 C8 DG A 1 -3.945 -3.098 -4.576 1.00 1.00 C ATOM 11 N7 DG A 1 -2.846 -2.748 -3.966 1.00 1.00 N ATOM 12 C5 DG A 1 -3.091 -3.035 -2.631 1.00 1.00 C ATOM 13 C6 DG A 1 -2.258 -2.869 -1.492 1.00 1.00 C ATOM 14 O6 DG A 1 -1.108 -2.403 -1.442 1.00 1.00 O ATOM 15 N1 DG A 1 -2.882 -3.288 -0.322 1.00 1.00 N ATOM 16 C2 DG A 1 -4.161 -3.798 -0.267 1.00 1.00 C ATOM 17 N2 DG A 1 -4.618 -4.134 0.946 1.00 1.00 N ATOM 18 N3 DG A 1 -4.948 -3.955 -1.321 1.00 1.00 N ATOM 19 C4 DG A 1 -4.355 -3.558 -2.466 1.00 1.00 C ATOM 0 H5' DG A 1 -9.308 -4.544 -1.099 1.00 1.00 H new ATOM 0 H5'' DG A 1 -7.652 -5.117 -1.057 1.00 1.00 H new ATOM 0 H4' DG A 1 -9.256 -4.018 -3.257 1.00 1.00 H new ATOM 0 H3' DG A 1 -8.228 -6.517 -3.015 1.00 1.00 H new ATOM 0 H2' DG A 1 -5.879 -5.919 -2.974 1.00 1.00 H new ATOM 0 H2'' DG A 1 -6.132 -6.193 -4.686 1.00 1.00 H new ATOM 0 HO5' DG A 1 -6.896 -3.025 -0.903 1.00 1.00 H new ATOM 0 H1' DG A 1 -6.297 -3.945 -5.187 1.00 1.00 H new ATOM 0 H8 DG A 1 -4.087 -3.004 -5.643 1.00 1.00 H new ATOM 0 H1 DG A 1 -2.360 -3.213 0.551 1.00 1.00 H new ATOM 0 H21 DG A 1 -5.558 -4.517 1.049 1.00 1.00 H new ATOM 0 H22 DG A 1 -4.026 -4.007 1.767 1.00 1.00 H new ATOM 32 P DG A 2 -8.867 -7.182 -5.551 1.00 1.00 P ATOM 33 OP1 DG A 2 -10.002 -7.039 -6.493 1.00 1.00 O ATOM 34 OP2 DG A 2 -8.918 -8.234 -4.508 1.00 1.00 O ATOM 35 O5' DG A 2 -7.539 -7.389 -6.399 1.00 1.00 O ATOM 36 C5' DG A 2 -7.214 -6.512 -7.475 1.00 1.00 C ATOM 37 C4' DG A 2 -5.803 -6.768 -7.949 1.00 1.00 C ATOM 38 O4' DG A 2 -4.883 -6.162 -7.010 1.00 1.00 O ATOM 39 C3' DG A 2 -5.417 -8.249 -8.034 1.00 1.00 C ATOM 40 O3' DG A 2 -5.046 -8.644 -9.371 1.00 1.00 O ATOM 41 C2' DG A 2 -4.272 -8.415 -7.047 1.00 1.00 C ATOM 42 C1' DG A 2 -3.750 -6.999 -6.868 1.00 1.00 C ATOM 43 N9 DG A 2 -3.142 -6.747 -5.565 1.00 1.00 N ATOM 44 C8 DG A 2 -3.595 -7.178 -4.342 1.00 1.00 C ATOM 45 N7 DG A 2 -2.807 -6.854 -3.354 1.00 1.00 N ATOM 46 C5 DG A 2 -1.767 -6.163 -3.960 1.00 1.00 C ATOM 47 C6 DG A 2 -0.613 -5.572 -3.389 1.00 1.00 C ATOM 48 O6 DG A 2 -0.279 -5.537 -2.195 1.00 1.00 O ATOM 49 N1 DG A 2 0.193 -4.970 -4.350 1.00 1.00 N ATOM 50 C2 DG A 2 -0.093 -4.945 -5.698 1.00 1.00 C ATOM 51 N2 DG A 2 0.780 -4.298 -6.482 1.00 1.00 N ATOM 52 N3 DG A 2 -1.167 -5.495 -6.243 1.00 1.00 N ATOM 53 C4 DG A 2 -1.957 -6.084 -5.322 1.00 1.00 C ATOM 0 H5' DG A 2 -7.314 -5.476 -7.152 1.00 1.00 H new ATOM 0 H5'' DG A 2 -7.914 -6.659 -8.298 1.00 1.00 H new ATOM 0 H4' DG A 2 -5.751 -6.349 -8.954 1.00 1.00 H new ATOM 0 H3' DG A 2 -6.259 -8.896 -7.787 1.00 1.00 H new ATOM 0 H2' DG A 2 -4.614 -8.839 -6.103 1.00 1.00 H new ATOM 0 H2'' DG A 2 -3.501 -9.081 -7.435 1.00 1.00 H new ATOM 0 H1' DG A 2 -2.962 -6.817 -7.599 1.00 1.00 H new ATOM 0 H8 DG A 2 -4.513 -7.731 -4.211 1.00 1.00 H new ATOM 0 H1 DG A 2 1.052 -4.518 -4.036 1.00 1.00 H new ATOM 0 H21 DG A 2 0.621 -4.246 -7.488 1.00 1.00 H new ATOM 0 H22 DG A 2 1.604 -3.857 -6.073 1.00 1.00 H new HETATM 65 P AZW A 3 -3.846 -7.992 -10.224 1.00 1.00 P HETATM 66 OP1 AZW A 3 -3.906 -6.516 -10.154 1.00 1.00 O HETATM 67 OP2 AZW A 3 -3.889 -8.637 -11.556 1.00 1.00 O HETATM 68 O5' AZW A 3 -2.502 -8.466 -9.518 1.00 1.00 O HETATM 69 C5' AZW A 3 -1.266 -8.316 -10.208 1.00 1.00 C HETATM 70 C1A AZW A 3 -0.173 -7.951 -9.236 1.00 1.00 C HETATM 71 C2A AZW A 3 0.596 -6.801 -9.457 1.00 1.00 C HETATM 72 C6A AZW A 3 0.100 -8.780 -8.139 1.00 1.00 C HETATM 73 C3A AZW A 3 1.644 -6.486 -8.588 1.00 1.00 C HETATM 74 C5A AZW A 3 1.150 -8.463 -7.270 1.00 1.00 C HETATM 75 C4A AZW A 3 1.924 -7.318 -7.497 1.00 1.00 C HETATM 76 N5A AZW A 3 3.014 -7.025 -6.654 1.00 1.00 N HETATM 77 C1B AZW A 3 7.495 -6.773 -4.344 1.00 1.00 C HETATM 78 C2B AZW A 3 7.685 -7.221 -5.666 1.00 1.00 C HETATM 79 C6B AZW A 3 6.197 -6.601 -3.848 1.00 1.00 C HETATM 80 C3B AZW A 3 6.580 -7.490 -6.477 1.00 1.00 C HETATM 81 C5B AZW A 3 5.092 -6.870 -4.663 1.00 1.00 C HETATM 82 C4B AZW A 3 5.283 -7.314 -5.978 1.00 1.00 C HETATM 83 N5B AZW A 3 4.173 -7.589 -6.799 1.00 1.00 N HETATM 84 C3' AZW A 3 8.683 -6.467 -3.456 1.00 1.00 C HETATM 85 O3' AZW A 3 9.909 -6.751 -4.120 1.00 1.00 O ATOM 98 P DG A 4 10.658 -5.602 -4.954 1.00 1.00 P ATOM 99 OP1 DG A 4 11.306 -6.241 -6.125 1.00 1.00 O ATOM 100 OP2 DG A 4 11.485 -4.829 -3.999 1.00 1.00 O ATOM 101 O5' DG A 4 9.485 -4.664 -5.482 1.00 1.00 O ATOM 102 C5' DG A 4 9.661 -3.251 -5.583 1.00 1.00 C ATOM 103 C4' DG A 4 8.958 -2.724 -6.812 1.00 1.00 C ATOM 104 O4' DG A 4 7.623 -3.285 -6.879 1.00 1.00 O ATOM 105 C3' DG A 4 8.767 -1.208 -6.853 1.00 1.00 C ATOM 106 O3' DG A 4 8.789 -0.755 -8.214 1.00 1.00 O ATOM 107 C2' DG A 4 7.388 -1.044 -6.238 1.00 1.00 C ATOM 108 C1' DG A 4 6.666 -2.237 -6.832 1.00 1.00 C ATOM 109 N9 DG A 4 5.503 -2.713 -6.090 1.00 1.00 N ATOM 110 C8 DG A 4 4.261 -2.971 -6.616 1.00 1.00 C ATOM 111 N7 DG A 4 3.405 -3.411 -5.735 1.00 1.00 N ATOM 112 C5 DG A 4 4.126 -3.445 -4.550 1.00 1.00 C ATOM 113 C6 DG A 4 3.718 -3.838 -3.252 1.00 1.00 C ATOM 114 O6 DG A 4 2.604 -4.244 -2.890 1.00 1.00 O ATOM 115 N1 DG A 4 4.749 -3.725 -2.322 1.00 1.00 N ATOM 116 C2 DG A 4 6.018 -3.285 -2.622 1.00 1.00 C ATOM 117 N2 DG A 4 6.890 -3.234 -1.604 1.00 1.00 N ATOM 118 N3 DG A 4 6.411 -2.915 -3.832 1.00 1.00 N ATOM 119 C4 DG A 4 5.421 -3.018 -4.746 1.00 1.00 C ATOM 0 H5' DG A 4 10.723 -3.012 -5.632 1.00 1.00 H new ATOM 0 H5'' DG A 4 9.266 -2.763 -4.692 1.00 1.00 H new ATOM 0 H4' DG A 4 9.607 -3.010 -7.640 1.00 1.00 H new ATOM 0 H3' DG A 4 9.538 -0.638 -6.334 1.00 1.00 H new ATOM 0 H2' DG A 4 7.415 -1.078 -5.149 1.00 1.00 H new ATOM 0 H2'' DG A 4 6.922 -0.099 -6.516 1.00 1.00 H new ATOM 0 H1' DG A 4 6.272 -1.928 -7.800 1.00 1.00 H new ATOM 0 H8 DG A 4 4.017 -2.824 -7.658 1.00 1.00 H new ATOM 0 H1 DG A 4 4.550 -3.985 -1.356 1.00 1.00 H new ATOM 0 H21 DG A 4 7.845 -2.916 -1.766 1.00 1.00 H new ATOM 0 H22 DG A 4 6.598 -3.513 -0.668 1.00 1.00 H new ATOM 131 P DG A 5 8.732 0.810 -8.578 1.00 1.00 P ATOM 132 OP1 DG A 5 9.186 0.958 -9.983 1.00 1.00 O ATOM 133 OP2 DG A 5 9.426 1.563 -7.507 1.00 1.00 O ATOM 134 O5' DG A 5 7.183 1.170 -8.520 1.00 1.00 O ATOM 135 C5' DG A 5 6.313 0.781 -9.582 1.00 1.00 C ATOM 136 C4' DG A 5 4.869 1.040 -9.225 1.00 1.00 C ATOM 137 O4' DG A 5 4.445 0.163 -8.162 1.00 1.00 O ATOM 138 C3' DG A 5 4.558 2.425 -8.666 1.00 1.00 C ATOM 139 O3' DG A 5 4.396 3.385 -9.718 1.00 1.00 O ATOM 140 C2' DG A 5 3.246 2.193 -7.931 1.00 1.00 C ATOM 141 C1' DG A 5 3.232 0.689 -7.649 1.00 1.00 C ATOM 142 N9 DG A 5 3.132 0.350 -6.233 1.00 1.00 N ATOM 143 C8 DG A 5 4.070 0.560 -5.250 1.00 1.00 C ATOM 144 N7 DG A 5 3.682 0.156 -4.070 1.00 1.00 N ATOM 145 C5 DG A 5 2.405 -0.350 -4.287 1.00 1.00 C ATOM 146 C6 DG A 5 1.475 -0.931 -3.379 1.00 1.00 C ATOM 147 O6 DG A 5 1.599 -1.111 -2.156 1.00 1.00 O ATOM 148 N1 DG A 5 0.296 -1.313 -4.016 1.00 1.00 N ATOM 149 C2 DG A 5 0.053 -1.150 -5.362 1.00 1.00 C ATOM 150 N2 DG A 5 -1.136 -1.571 -5.813 1.00 1.00 N ATOM 151 N3 DG A 5 0.908 -0.613 -6.214 1.00 1.00 N ATOM 152 C4 DG A 5 2.056 -0.238 -5.614 1.00 1.00 C ATOM 0 H5' DG A 5 6.452 -0.278 -9.801 1.00 1.00 H new ATOM 0 H5'' DG A 5 6.571 1.330 -10.487 1.00 1.00 H new ATOM 0 H4' DG A 5 4.364 0.899 -10.181 1.00 1.00 H new ATOM 0 H3' DG A 5 5.349 2.826 -8.033 1.00 1.00 H new ATOM 0 H2' DG A 5 3.199 2.771 -7.008 1.00 1.00 H new ATOM 0 H2'' DG A 5 2.392 2.492 -8.538 1.00 1.00 H new ATOM 0 HO3' DG A 5 3.653 3.986 -9.501 1.00 1.00 H new ATOM 0 H1' DG A 5 2.345 0.266 -8.122 1.00 1.00 H new ATOM 0 H8 DG A 5 5.032 1.014 -5.435 1.00 1.00 H new ATOM 0 H1 DG A 5 -0.435 -1.741 -3.448 1.00 1.00 H new ATOM 0 H21 DG A 5 -1.370 -1.475 -6.801 1.00 1.00 H new ATOM 0 H22 DG A 5 -1.808 -1.988 -5.168 1.00 1.00 H new TER 165 DG A 5 ATOM 166 O5' DG B 1 7.403 2.564 1.278 1.00 1.00 O ATOM 167 C5' DG B 1 8.712 2.153 1.671 1.00 1.00 C ATOM 168 C4' DG B 1 8.673 1.470 3.018 1.00 1.00 C ATOM 169 O4' DG B 1 7.297 1.131 3.314 1.00 1.00 O ATOM 170 C3' DG B 1 9.456 0.161 3.103 1.00 1.00 C ATOM 171 O3' DG B 1 10.032 0.023 4.409 1.00 1.00 O ATOM 172 C2' DG B 1 8.383 -0.887 2.865 1.00 1.00 C ATOM 173 C1' DG B 1 7.202 -0.260 3.576 1.00 1.00 C ATOM 174 N9 DG B 1 5.884 -0.721 3.148 1.00 1.00 N ATOM 175 C8 DG B 1 4.918 -1.267 3.954 1.00 1.00 C ATOM 176 N7 DG B 1 3.817 -1.566 3.320 1.00 1.00 N ATOM 177 C5 DG B 1 4.072 -1.197 2.008 1.00 1.00 C ATOM 178 C6 DG B 1 3.244 -1.285 0.860 1.00 1.00 C ATOM 179 O6 DG B 1 2.080 -1.708 0.786 1.00 1.00 O ATOM 180 N1 DG B 1 3.879 -0.806 -0.282 1.00 1.00 N ATOM 181 C2 DG B 1 5.159 -0.301 -0.302 1.00 1.00 C ATOM 182 N2 DG B 1 5.615 0.127 -1.487 1.00 1.00 N ATOM 183 N3 DG B 1 5.942 -0.211 0.763 1.00 1.00 N ATOM 184 C4 DG B 1 5.341 -0.674 1.880 1.00 1.00 C ATOM 0 H5' DG B 1 9.373 3.019 1.715 1.00 1.00 H new ATOM 0 H5'' DG B 1 9.125 1.474 0.925 1.00 1.00 H new ATOM 0 H4' DG B 1 9.127 2.175 3.714 1.00 1.00 H new ATOM 0 H3' DG B 1 10.283 0.090 2.396 1.00 1.00 H new ATOM 0 H2' DG B 1 8.189 -1.045 1.804 1.00 1.00 H new ATOM 0 H2'' DG B 1 8.652 -1.855 3.287 1.00 1.00 H new ATOM 0 HO5' DG B 1 6.736 2.102 1.828 1.00 1.00 H new ATOM 0 H1' DG B 1 7.264 -0.539 4.628 1.00 1.00 H new ATOM 0 H8 DG B 1 5.055 -1.434 5.012 1.00 1.00 H new ATOM 0 H1 DG B 1 3.362 -0.831 -1.161 1.00 1.00 H new ATOM 0 H21 DG B 1 6.557 0.511 -1.562 1.00 1.00 H new ATOM 0 H22 DG B 1 5.020 0.068 -2.314 1.00 1.00 H new ATOM 197 P DG B 2 11.169 -1.075 4.691 1.00 1.00 P ATOM 198 OP1 DG B 2 11.929 -0.625 5.883 1.00 1.00 O ATOM 199 OP2 DG B 2 11.898 -1.352 3.432 1.00 1.00 O ATOM 200 O5' DG B 2 10.357 -2.382 5.095 1.00 1.00 O ATOM 201 C5' DG B 2 9.542 -2.398 6.267 1.00 1.00 C ATOM 202 C4' DG B 2 8.717 -3.663 6.322 1.00 1.00 C ATOM 203 O4' DG B 2 7.628 -3.556 5.373 1.00 1.00 O ATOM 204 C3' DG B 2 9.470 -4.946 5.960 1.00 1.00 C ATOM 205 O3' DG B 2 9.182 -5.970 6.918 1.00 1.00 O ATOM 206 C2' DG B 2 8.911 -5.317 4.596 1.00 1.00 C ATOM 207 C1' DG B 2 7.493 -4.799 4.715 1.00 1.00 C ATOM 208 N9 DG B 2 6.787 -4.594 3.454 1.00 1.00 N ATOM 209 C8 DG B 2 7.309 -4.153 2.261 1.00 1.00 C ATOM 210 N7 DG B 2 6.432 -4.120 1.295 1.00 1.00 N ATOM 211 C5 DG B 2 5.256 -4.563 1.885 1.00 1.00 C ATOM 212 C6 DG B 2 3.962 -4.741 1.333 1.00 1.00 C ATOM 213 O6 DG B 2 3.589 -4.527 0.172 1.00 1.00 O ATOM 214 N1 DG B 2 3.051 -5.210 2.276 1.00 1.00 N ATOM 215 C2 DG B 2 3.363 -5.471 3.592 1.00 1.00 C ATOM 216 N2 DG B 2 2.365 -5.916 4.369 1.00 1.00 N ATOM 217 N3 DG B 2 4.565 -5.308 4.119 1.00 1.00 N ATOM 218 C4 DG B 2 5.459 -4.857 3.216 1.00 1.00 C ATOM 0 H5' DG B 2 8.885 -1.528 6.272 1.00 1.00 H new ATOM 0 H5'' DG B 2 10.170 -2.328 7.155 1.00 1.00 H new ATOM 0 H4' DG B 2 8.397 -3.745 7.361 1.00 1.00 H new ATOM 0 H3' DG B 2 10.553 -4.822 5.952 1.00 1.00 H new ATOM 0 H2' DG B 2 9.458 -4.840 3.783 1.00 1.00 H new ATOM 0 H2'' DG B 2 8.944 -6.391 4.415 1.00 1.00 H new ATOM 0 H1' DG B 2 6.892 -5.543 5.238 1.00 1.00 H new ATOM 0 H8 DG B 2 8.342 -3.863 2.136 1.00 1.00 H new ATOM 0 H1 DG B 2 2.091 -5.371 1.973 1.00 1.00 H new ATOM 0 H21 DG B 2 2.539 -6.126 5.352 1.00 1.00 H new ATOM 0 H22 DG B 2 1.432 -6.045 3.977 1.00 1.00 H new HETATM 230 P AZW B 3 10.209 -7.184 7.154 1.00 1.00 P HETATM 231 OP1 AZW B 3 10.584 -7.197 8.587 1.00 1.00 O HETATM 232 OP2 AZW B 3 11.274 -7.101 6.125 1.00 1.00 O HETATM 233 O5' AZW B 3 9.337 -8.480 6.854 1.00 1.00 O HETATM 234 C5' AZW B 3 8.176 -8.772 7.627 1.00 1.00 C HETATM 235 C1A AZW B 3 7.002 -9.062 6.716 1.00 1.00 C HETATM 236 C2A AZW B 3 5.712 -9.152 7.259 1.00 1.00 C HETATM 237 C6A AZW B 3 7.195 -9.255 5.336 1.00 1.00 C HETATM 238 C3A AZW B 3 4.620 -9.436 6.432 1.00 1.00 C HETATM 239 C5A AZW B 3 6.099 -9.536 4.509 1.00 1.00 C HETATM 240 C4A AZW B 3 4.813 -9.630 5.059 1.00 1.00 C HETATM 241 N5A AZW B 3 3.716 -9.963 4.239 1.00 1.00 N HETATM 242 C1B AZW B 3 -0.246 -10.262 1.179 1.00 1.00 C HETATM 243 C2B AZW B 3 -0.346 -10.302 2.576 1.00 1.00 C HETATM 244 C6B AZW B 3 0.940 -9.820 0.576 1.00 1.00 C HETATM 245 C3B AZW B 3 0.737 -9.903 3.367 1.00 1.00 C HETATM 246 C5B AZW B 3 2.025 -9.423 1.369 1.00 1.00 C HETATM 247 C4B AZW B 3 1.924 -9.466 2.766 1.00 1.00 C HETATM 248 N5B AZW B 3 3.022 -9.093 3.570 1.00 1.00 N HETATM 249 C3' AZW B 3 -1.413 -10.711 0.322 1.00 1.00 C HETATM 250 O3' AZW B 3 -1.924 -11.958 0.780 1.00 1.00 O ATOM 263 P DG B 4 -3.439 -12.074 1.298 1.00 1.00 P ATOM 264 OP1 DG B 4 -3.527 -13.265 2.177 1.00 1.00 O ATOM 265 OP2 DG B 4 -4.331 -11.973 0.120 1.00 1.00 O ATOM 266 O5' DG B 4 -3.654 -10.784 2.202 1.00 1.00 O ATOM 267 C5' DG B 4 -4.936 -10.480 2.752 1.00 1.00 C ATOM 268 C4' DG B 4 -4.779 -10.028 4.186 1.00 1.00 C ATOM 269 O4' DG B 4 -3.417 -9.576 4.380 1.00 1.00 O ATOM 270 C3' DG B 4 -5.661 -8.853 4.608 1.00 1.00 C ATOM 271 O3' DG B 4 -5.942 -8.925 6.013 1.00 1.00 O ATOM 272 C2' DG B 4 -4.779 -7.660 4.290 1.00 1.00 C ATOM 273 C1' DG B 4 -3.410 -8.188 4.684 1.00 1.00 C ATOM 274 N9 DG B 4 -2.277 -7.573 3.999 1.00 1.00 N ATOM 275 C8 DG B 4 -1.123 -7.123 4.592 1.00 1.00 C ATOM 276 N7 DG B 4 -0.271 -6.612 3.746 1.00 1.00 N ATOM 277 C5 DG B 4 -0.900 -6.728 2.516 1.00 1.00 C ATOM 278 C6 DG B 4 -0.455 -6.340 1.228 1.00 1.00 C ATOM 279 O6 DG B 4 0.612 -5.790 0.921 1.00 1.00 O ATOM 280 N1 DG B 4 -1.390 -6.634 0.240 1.00 1.00 N ATOM 281 C2 DG B 4 -2.608 -7.231 0.480 1.00 1.00 C ATOM 282 N2 DG B 4 -3.384 -7.463 -0.588 1.00 1.00 N ATOM 283 N3 DG B 4 -3.033 -7.596 1.678 1.00 1.00 N ATOM 284 C4 DG B 4 -2.137 -7.319 2.649 1.00 1.00 C ATOM 0 H5' DG B 4 -5.580 -11.358 2.705 1.00 1.00 H new ATOM 0 H5'' DG B 4 -5.419 -9.699 2.165 1.00 1.00 H new ATOM 0 H4' DG B 4 -5.067 -10.894 4.782 1.00 1.00 H new ATOM 0 H3' DG B 4 -6.630 -8.820 4.111 1.00 1.00 H new ATOM 0 H2' DG B 4 -4.825 -7.384 3.237 1.00 1.00 H new ATOM 0 H2'' DG B 4 -5.060 -6.777 4.864 1.00 1.00 H new ATOM 0 H1' DG B 4 -3.265 -7.955 5.739 1.00 1.00 H new ATOM 0 H8 DG B 4 -0.939 -7.186 5.654 1.00 1.00 H new ATOM 0 H1 DG B 4 -1.159 -6.392 -0.723 1.00 1.00 H new ATOM 0 H21 DG B 4 -4.297 -7.903 -0.469 1.00 1.00 H new ATOM 0 H22 DG B 4 -3.062 -7.200 -1.519 1.00 1.00 H new ATOM 296 P DG B 5 -6.763 -7.755 6.749 1.00 1.00 P ATOM 297 OP1 DG B 5 -7.376 -8.347 7.960 1.00 1.00 O ATOM 298 OP2 DG B 5 -7.628 -7.092 5.749 1.00 1.00 O ATOM 299 O5' DG B 5 -5.642 -6.725 7.217 1.00 1.00 O ATOM 300 C5' DG B 5 -4.686 -7.096 8.210 1.00 1.00 C ATOM 301 C4' DG B 5 -3.626 -6.029 8.353 1.00 1.00 C ATOM 302 O4' DG B 5 -2.996 -5.798 7.071 1.00 1.00 O ATOM 303 C3' DG B 5 -4.149 -4.666 8.818 1.00 1.00 C ATOM 304 O3' DG B 5 -3.483 -4.249 10.014 1.00 1.00 O ATOM 305 C2' DG B 5 -3.825 -3.722 7.671 1.00 1.00 C ATOM 306 C1' DG B 5 -2.677 -4.425 6.977 1.00 1.00 C ATOM 307 N9 DG B 5 -2.499 -4.081 5.570 1.00 1.00 N ATOM 308 C8 DG B 5 -3.434 -4.176 4.568 1.00 1.00 C ATOM 309 N7 DG B 5 -2.981 -3.807 3.398 1.00 1.00 N ATOM 310 C5 DG B 5 -1.665 -3.441 3.644 1.00 1.00 C ATOM 311 C6 DG B 5 -0.666 -2.952 2.755 1.00 1.00 C ATOM 312 O6 DG B 5 -0.755 -2.734 1.535 1.00 1.00 O ATOM 313 N1 DG B 5 0.537 -2.702 3.413 1.00 1.00 N ATOM 314 C2 DG B 5 0.742 -2.902 4.761 1.00 1.00 C ATOM 315 N2 DG B 5 1.965 -2.615 5.231 1.00 1.00 N ATOM 316 N3 DG B 5 -0.179 -3.354 5.596 1.00 1.00 N ATOM 317 C4 DG B 5 -1.352 -3.602 4.976 1.00 1.00 C ATOM 0 H5' DG B 5 -4.221 -8.044 7.939 1.00 1.00 H new ATOM 0 H5'' DG B 5 -5.187 -7.249 9.166 1.00 1.00 H new ATOM 0 H4' DG B 5 -2.945 -6.414 9.112 1.00 1.00 H new ATOM 0 H3' DG B 5 -5.214 -4.690 9.050 1.00 1.00 H new ATOM 0 H2' DG B 5 -4.678 -3.585 7.006 1.00 1.00 H new ATOM 0 H2'' DG B 5 -3.538 -2.733 8.029 1.00 1.00 H new ATOM 0 HO3' DG B 5 -3.829 -3.376 10.294 1.00 1.00 H new ATOM 0 H1' DG B 5 -1.742 -4.130 7.454 1.00 1.00 H new ATOM 0 H8 DG B 5 -4.444 -4.522 4.731 1.00 1.00 H new ATOM 0 H1 DG B 5 1.317 -2.347 2.860 1.00 1.00 H new ATOM 0 H21 DG B 5 2.174 -2.744 6.221 1.00 1.00 H new ATOM 0 H22 DG B 5 2.686 -2.268 4.598 1.00 1.00 H new TER 330 DG B 5 ATOM 331 O5' DG C 1 6.982 2.502 -2.703 1.00 1.00 O ATOM 332 C5' DG C 1 7.378 3.762 -3.236 1.00 1.00 C ATOM 333 C4' DG C 1 6.718 4.005 -4.571 1.00 1.00 C ATOM 334 O4' DG C 1 5.462 3.284 -4.599 1.00 1.00 O ATOM 335 C3' DG C 1 6.357 5.462 -4.867 1.00 1.00 C ATOM 336 O3' DG C 1 6.431 5.701 -6.278 1.00 1.00 O ATOM 337 C2' DG C 1 4.925 5.549 -4.376 1.00 1.00 C ATOM 338 C1' DG C 1 4.390 4.196 -4.795 1.00 1.00 C ATOM 339 N9 DG C 1 3.228 3.717 -4.050 1.00 1.00 N ATOM 340 C8 DG C 1 1.992 3.422 -4.576 1.00 1.00 C ATOM 341 N7 DG C 1 1.146 2.976 -3.690 1.00 1.00 N ATOM 342 C5 DG C 1 1.860 2.982 -2.502 1.00 1.00 C ATOM 343 C6 DG C 1 1.455 2.606 -1.199 1.00 1.00 C ATOM 344 O6 DG C 1 0.349 2.170 -0.838 1.00 1.00 O ATOM 345 N1 DG C 1 2.477 2.764 -0.267 1.00 1.00 N ATOM 346 C2 DG C 1 3.738 3.228 -0.571 1.00 1.00 C ATOM 347 N2 DG C 1 4.607 3.296 0.449 1.00 1.00 N ATOM 348 N3 DG C 1 4.129 3.582 -1.787 1.00 1.00 N ATOM 349 C4 DG C 1 3.147 3.437 -2.702 1.00 1.00 C ATOM 0 H5' DG C 1 8.462 3.791 -3.349 1.00 1.00 H new ATOM 0 H5'' DG C 1 7.109 4.558 -2.541 1.00 1.00 H new ATOM 0 H4' DG C 1 7.451 3.682 -5.311 1.00 1.00 H new ATOM 0 H3' DG C 1 7.016 6.193 -4.398 1.00 1.00 H new ATOM 0 H2' DG C 1 4.868 5.699 -3.298 1.00 1.00 H new ATOM 0 H2'' DG C 1 4.379 6.370 -4.841 1.00 1.00 H new ATOM 0 HO5' DG C 1 6.198 2.173 -3.190 1.00 1.00 H new ATOM 0 H1' DG C 1 4.042 4.281 -5.825 1.00 1.00 H new ATOM 0 H8 DG C 1 1.746 3.547 -5.620 1.00 1.00 H new ATOM 0 H1 DG C 1 2.279 2.520 0.704 1.00 1.00 H new ATOM 0 H21 DG C 1 5.557 3.631 0.288 1.00 1.00 H new ATOM 0 H22 DG C 1 4.318 3.012 1.385 1.00 1.00 H new ATOM 362 P DG C 2 6.260 7.186 -6.861 1.00 1.00 P ATOM 363 OP1 DG C 2 6.947 7.245 -8.173 1.00 1.00 O ATOM 364 OP2 DG C 2 6.652 8.136 -5.793 1.00 1.00 O ATOM 365 O5' DG C 2 4.696 7.329 -7.114 1.00 1.00 O ATOM 366 C5' DG C 2 4.046 6.522 -8.095 1.00 1.00 C ATOM 367 C4' DG C 2 2.546 6.631 -7.961 1.00 1.00 C ATOM 368 O4' DG C 2 2.132 6.077 -6.685 1.00 1.00 O ATOM 369 C3' DG C 2 1.994 8.059 -7.991 1.00 1.00 C ATOM 370 O3' DG C 2 0.785 8.084 -8.763 1.00 1.00 O ATOM 371 C2' DG C 2 1.713 8.333 -6.523 1.00 1.00 C ATOM 372 C1' DG C 2 1.202 6.975 -6.106 1.00 1.00 C ATOM 373 N9 DG C 2 1.114 6.739 -4.668 1.00 1.00 N ATOM 374 C8 DG C 2 2.026 7.070 -3.696 1.00 1.00 C ATOM 375 N7 DG C 2 1.648 6.723 -2.494 1.00 1.00 N ATOM 376 C5 DG C 2 0.408 6.129 -2.685 1.00 1.00 C ATOM 377 C6 DG C 2 -0.496 5.559 -1.749 1.00 1.00 C ATOM 378 O6 DG C 2 -0.358 5.440 -0.522 1.00 1.00 O ATOM 379 N1 DG C 2 -1.647 5.071 -2.365 1.00 1.00 N ATOM 380 C2 DG C 2 -1.883 5.128 -3.721 1.00 1.00 C ATOM 381 N2 DG C 2 -3.040 4.611 -4.155 1.00 1.00 N ATOM 382 N3 DG C 2 -1.050 5.654 -4.600 1.00 1.00 N ATOM 383 C4 DG C 2 0.066 6.133 -4.019 1.00 1.00 C ATOM 0 H5' DG C 2 4.353 5.482 -7.980 1.00 1.00 H new ATOM 0 H5'' DG C 2 4.352 6.836 -9.093 1.00 1.00 H new ATOM 0 H4' DG C 2 2.156 6.094 -8.826 1.00 1.00 H new ATOM 0 H3' DG C 2 2.662 8.795 -8.439 1.00 1.00 H new ATOM 0 H2' DG C 2 2.607 8.630 -5.974 1.00 1.00 H new ATOM 0 H2'' DG C 2 0.974 9.121 -6.379 1.00 1.00 H new ATOM 0 H1' DG C 2 0.170 6.860 -6.437 1.00 1.00 H new ATOM 0 H8 DG C 2 2.962 7.567 -3.904 1.00 1.00 H new ATOM 0 H1 DG C 2 -2.360 4.644 -1.774 1.00 1.00 H new ATOM 0 H21 DG C 2 -3.265 4.627 -5.150 1.00 1.00 H new ATOM 0 H22 DG C 2 -3.696 4.201 -3.491 1.00 1.00 H new HETATM 395 P AZW C 3 -0.008 9.455 -9.028 1.00 1.00 P HETATM 396 OP1 AZW C 3 -0.433 9.475 -10.446 1.00 1.00 O HETATM 397 OP2 AZW C 3 0.815 10.570 -8.505 1.00 1.00 O HETATM 398 O5' AZW C 3 -1.309 9.326 -8.121 1.00 1.00 O HETATM 399 C5' AZW C 3 -2.370 8.454 -8.502 1.00 1.00 C HETATM 400 C1A AZW C 3 -3.227 8.115 -7.299 1.00 1.00 C HETATM 401 C2A AZW C 3 -4.541 7.658 -7.490 1.00 1.00 C HETATM 402 C6A AZW C 3 -2.711 8.228 -5.998 1.00 1.00 C HETATM 403 C3A AZW C 3 -5.333 7.315 -6.390 1.00 1.00 C HETATM 404 C5A AZW C 3 -3.506 7.883 -4.896 1.00 1.00 C HETATM 405 C4A AZW C 3 -4.817 7.424 -5.094 1.00 1.00 C HETATM 406 N5A AZW C 3 -5.616 7.053 -3.993 1.00 1.00 N HETATM 407 C1B AZW C 3 -8.371 6.704 0.206 1.00 1.00 C HETATM 408 C2B AZW C 3 -8.943 6.913 -1.055 1.00 1.00 C HETATM 409 C6B AZW C 3 -6.992 6.884 0.385 1.00 1.00 C HETATM 410 C3B AZW C 3 -8.142 7.303 -2.132 1.00 1.00 C HETATM 411 C5B AZW C 3 -6.189 7.274 -0.694 1.00 1.00 C HETATM 412 C4B AZW C 3 -6.765 7.484 -1.955 1.00 1.00 C HETATM 413 N5B AZW C 3 -5.957 7.875 -3.046 1.00 1.00 N HETATM 414 C3' AZW C 3 -9.232 6.283 1.379 1.00 1.00 C HETATM 415 O3' AZW C 3 -10.610 6.519 1.115 1.00 1.00 O ATOM 428 P DG C 4 -11.571 5.294 0.725 1.00 1.00 P ATOM 429 OP1 DG C 4 -12.702 5.847 -0.061 1.00 1.00 O ATOM 430 OP2 DG C 4 -11.847 4.505 1.950 1.00 1.00 O ATOM 431 O5' DG C 4 -10.691 4.400 -0.253 1.00 1.00 O ATOM 432 C5' DG C 4 -11.157 3.124 -0.684 1.00 1.00 C ATOM 433 C4' DG C 4 -10.847 2.929 -2.150 1.00 1.00 C ATOM 434 O4' DG C 4 -9.625 3.640 -2.467 1.00 1.00 O ATOM 435 C3' DG C 4 -10.603 1.477 -2.565 1.00 1.00 C ATOM 436 O3' DG C 4 -11.038 1.268 -3.915 1.00 1.00 O ATOM 437 C2' DG C 4 -9.093 1.359 -2.457 1.00 1.00 C ATOM 438 C1' DG C 4 -8.660 2.722 -2.962 1.00 1.00 C ATOM 439 N9 DG C 4 -7.333 3.149 -2.526 1.00 1.00 N ATOM 440 C8 DG C 4 -6.301 3.539 -3.344 1.00 1.00 C ATOM 441 N7 DG C 4 -5.215 3.847 -2.692 1.00 1.00 N ATOM 442 C5 DG C 4 -5.546 3.651 -1.362 1.00 1.00 C ATOM 443 C6 DG C 4 -4.761 3.828 -0.197 1.00 1.00 C ATOM 444 O6 DG C 4 -3.581 4.201 -0.123 1.00 1.00 O ATOM 445 N1 DG C 4 -5.468 3.521 0.962 1.00 1.00 N ATOM 446 C2 DG C 4 -6.776 3.095 0.982 1.00 1.00 C ATOM 447 N2 DG C 4 -7.307 2.842 2.190 1.00 1.00 N ATOM 448 N3 DG C 4 -7.522 2.926 -0.101 1.00 1.00 N ATOM 449 C4 DG C 4 -6.849 3.220 -1.234 1.00 1.00 C ATOM 0 H5' DG C 4 -12.231 3.045 -0.517 1.00 1.00 H new ATOM 0 H5'' DG C 4 -10.684 2.337 -0.096 1.00 1.00 H new ATOM 0 H4' DG C 4 -11.727 3.293 -2.680 1.00 1.00 H new ATOM 0 H3' DG C 4 -11.139 0.745 -1.961 1.00 1.00 H new ATOM 0 H2' DG C 4 -8.766 1.175 -1.434 1.00 1.00 H new ATOM 0 H2'' DG C 4 -8.698 0.548 -3.069 1.00 1.00 H new ATOM 0 H1' DG C 4 -8.598 2.678 -4.049 1.00 1.00 H new ATOM 0 H8 DG C 4 -6.381 3.586 -4.420 1.00 1.00 H new ATOM 0 H1 DG C 4 -4.985 3.618 1.855 1.00 1.00 H new ATOM 0 H21 DG C 4 -8.273 2.523 2.266 1.00 1.00 H new ATOM 0 H22 DG C 4 -6.744 2.969 3.031 1.00 1.00 H new ATOM 461 P DG C 5 -10.856 -0.166 -4.617 1.00 1.00 P ATOM 462 OP1 DG C 5 -11.925 -0.323 -5.628 1.00 1.00 O ATOM 463 OP2 DG C 5 -10.725 -1.177 -3.545 1.00 1.00 O ATOM 464 O5' DG C 5 -9.460 -0.058 -5.373 1.00 1.00 O ATOM 465 C5' DG C 5 -9.284 0.864 -6.446 1.00 1.00 C ATOM 466 C4' DG C 5 -7.884 0.752 -7.008 1.00 1.00 C ATOM 467 O4' DG C 5 -6.928 1.142 -5.993 1.00 1.00 O ATOM 468 C3' DG C 5 -7.476 -0.657 -7.450 1.00 1.00 C ATOM 469 O3' DG C 5 -6.740 -0.609 -8.680 1.00 1.00 O ATOM 470 C2' DG C 5 -6.590 -1.133 -6.313 1.00 1.00 C ATOM 471 C1' DG C 5 -5.910 0.157 -5.909 1.00 1.00 C ATOM 472 N9 DG C 5 -5.346 0.179 -4.563 1.00 1.00 N ATOM 473 C8 DG C 5 -5.924 -0.265 -3.394 1.00 1.00 C ATOM 474 N7 DG C 5 -5.164 -0.097 -2.345 1.00 1.00 N ATOM 475 C5 DG C 5 -4.012 0.491 -2.850 1.00 1.00 C ATOM 476 C6 DG C 5 -2.822 0.906 -2.189 1.00 1.00 C ATOM 477 O6 DG C 5 -2.539 0.822 -0.985 1.00 1.00 O ATOM 478 N1 DG C 5 -1.899 1.456 -3.073 1.00 1.00 N ATOM 479 C2 DG C 5 -2.102 1.581 -4.428 1.00 1.00 C ATOM 480 N2 DG C 5 -1.104 2.125 -5.135 1.00 1.00 N ATOM 481 N3 DG C 5 -3.201 1.199 -5.055 1.00 1.00 N ATOM 482 C4 DG C 5 -4.109 0.666 -4.213 1.00 1.00 C ATOM 0 H5' DG C 5 -9.462 1.880 -6.095 1.00 1.00 H new ATOM 0 H5'' DG C 5 -10.015 0.665 -7.230 1.00 1.00 H new ATOM 0 H4' DG C 5 -7.885 1.398 -7.886 1.00 1.00 H new ATOM 0 H3' DG C 5 -8.327 -1.312 -7.634 1.00 1.00 H new ATOM 0 H2' DG C 5 -7.167 -1.567 -5.496 1.00 1.00 H new ATOM 0 H2'' DG C 5 -5.876 -1.890 -6.637 1.00 1.00 H new ATOM 0 HO3' DG C 5 -6.487 -1.518 -8.945 1.00 1.00 H new ATOM 0 H1' DG C 5 -5.053 0.314 -6.564 1.00 1.00 H new ATOM 0 H8 DG C 5 -6.908 -0.708 -3.349 1.00 1.00 H new ATOM 0 H1 DG C 5 -1.013 1.788 -2.691 1.00 1.00 H new ATOM 0 H21 DG C 5 -1.199 2.243 -6.144 1.00 1.00 H new ATOM 0 H22 DG C 5 -0.249 2.422 -4.665 1.00 1.00 H new TER 495 DG C 5 ATOM 496 O5' DG D 1 -7.140 -3.636 3.123 1.00 1.00 O ATOM 497 C5' DG D 1 -8.188 -3.037 3.884 1.00 1.00 C ATOM 498 C4' DG D 1 -7.719 -2.730 5.287 1.00 1.00 C ATOM 499 O4' DG D 1 -6.282 -2.553 5.248 1.00 1.00 O ATOM 500 C3' DG D 1 -8.293 -1.451 5.901 1.00 1.00 C ATOM 501 O3' DG D 1 -8.559 -1.641 7.296 1.00 1.00 O ATOM 502 C2' DG D 1 -7.181 -0.438 5.702 1.00 1.00 C ATOM 503 C1' DG D 1 -5.940 -1.301 5.819 1.00 1.00 C ATOM 504 N9 DG D 1 -4.770 -0.780 5.118 1.00 1.00 N ATOM 505 C8 DG D 1 -3.581 -0.391 5.684 1.00 1.00 C ATOM 506 N7 DG D 1 -2.717 0.062 4.817 1.00 1.00 N ATOM 507 C5 DG D 1 -3.378 -0.034 3.599 1.00 1.00 C ATOM 508 C6 DG D 1 -2.942 0.312 2.295 1.00 1.00 C ATOM 509 O6 DG D 1 -1.845 0.781 1.953 1.00 1.00 O ATOM 510 N1 DG D 1 -3.917 0.060 1.334 1.00 1.00 N ATOM 511 C2 DG D 1 -5.159 -0.467 1.607 1.00 1.00 C ATOM 512 N2 DG D 1 -5.969 -0.671 0.557 1.00 1.00 N ATOM 513 N3 DG D 1 -5.578 -0.793 2.820 1.00 1.00 N ATOM 514 C4 DG D 1 -4.643 -0.552 3.765 1.00 1.00 C ATOM 0 H5' DG D 1 -9.047 -3.707 3.921 1.00 1.00 H new ATOM 0 H5'' DG D 1 -8.520 -2.120 3.397 1.00 1.00 H new ATOM 0 H4' DG D 1 -8.058 -3.565 5.900 1.00 1.00 H new ATOM 0 H3' DG D 1 -9.236 -1.143 5.450 1.00 1.00 H new ATOM 0 H2' DG D 1 -7.246 0.053 4.731 1.00 1.00 H new ATOM 0 H2'' DG D 1 -7.204 0.347 6.458 1.00 1.00 H new ATOM 0 HO5' DG D 1 -6.274 -3.396 3.514 1.00 1.00 H new ATOM 0 H1' DG D 1 -5.657 -1.348 6.871 1.00 1.00 H new ATOM 0 H8 DG D 1 -3.380 -0.454 6.743 1.00 1.00 H new ATOM 0 H1 DG D 1 -3.696 0.281 0.363 1.00 1.00 H new ATOM 0 H21 DG D 1 -6.901 -1.060 0.700 1.00 1.00 H new ATOM 0 H22 DG D 1 -5.653 -0.438 -0.384 1.00 1.00 H new ATOM 527 P DG D 2 -9.406 -0.551 8.119 1.00 1.00 P ATOM 528 OP1 DG D 2 -10.053 -1.255 9.249 1.00 1.00 O ATOM 529 OP2 DG D 2 -10.241 0.226 7.174 1.00 1.00 O ATOM 530 O5' DG D 2 -8.305 0.428 8.719 1.00 1.00 O ATOM 531 C5' DG D 2 -7.261 -0.076 9.548 1.00 1.00 C ATOM 532 C4' DG D 2 -6.222 0.996 9.782 1.00 1.00 C ATOM 533 O4' DG D 2 -5.468 1.209 8.562 1.00 1.00 O ATOM 534 C3' DG D 2 -6.788 2.366 10.166 1.00 1.00 C ATOM 535 O3' DG D 2 -5.983 2.958 11.196 1.00 1.00 O ATOM 536 C2' DG D 2 -6.685 3.149 8.869 1.00 1.00 C ATOM 537 C1' DG D 2 -5.388 2.602 8.319 1.00 1.00 C ATOM 538 N9 DG D 2 -5.167 2.826 6.892 1.00 1.00 N ATOM 539 C8 DG D 2 -6.081 2.720 5.871 1.00 1.00 C ATOM 540 N7 DG D 2 -5.580 2.999 4.698 1.00 1.00 N ATOM 541 C5 DG D 2 -4.253 3.314 4.961 1.00 1.00 C ATOM 542 C6 DG D 2 -3.211 3.703 4.080 1.00 1.00 C ATOM 543 O6 DG D 2 -3.257 3.836 2.849 1.00 1.00 O ATOM 544 N1 DG D 2 -2.014 3.934 4.755 1.00 1.00 N ATOM 545 C2 DG D 2 -1.854 3.800 6.116 1.00 1.00 C ATOM 546 N2 DG D 2 -0.633 4.059 6.609 1.00 1.00 N ATOM 547 N3 DG D 2 -2.817 3.438 6.947 1.00 1.00 N ATOM 548 C4 DG D 2 -3.984 3.213 6.307 1.00 1.00 C ATOM 0 H5' DG D 2 -6.800 -0.944 9.078 1.00 1.00 H new ATOM 0 H5'' DG D 2 -7.672 -0.410 10.501 1.00 1.00 H new ATOM 0 H4' DG D 2 -5.623 0.625 10.614 1.00 1.00 H new ATOM 0 H3' DG D 2 -7.804 2.332 10.560 1.00 1.00 H new ATOM 0 H2' DG D 2 -7.528 2.963 8.204 1.00 1.00 H new ATOM 0 H2'' DG D 2 -6.643 4.225 9.037 1.00 1.00 H new ATOM 0 H1' DG D 2 -4.554 3.113 8.801 1.00 1.00 H new ATOM 0 H8 DG D 2 -7.111 2.434 6.024 1.00 1.00 H new ATOM 0 H1 DG D 2 -1.204 4.221 4.205 1.00 1.00 H new ATOM 0 H21 DG D 2 -0.459 3.975 7.611 1.00 1.00 H new ATOM 0 H22 DG D 2 0.121 4.340 5.982 1.00 1.00 H new HETATM 560 P AZW D 3 -6.330 4.422 11.761 1.00 1.00 P HETATM 561 OP1 AZW D 3 -5.912 4.460 13.182 1.00 1.00 O HETATM 562 OP2 AZW D 3 -7.731 4.750 11.408 1.00 1.00 O HETATM 563 O5' AZW D 3 -5.365 5.389 10.947 1.00 1.00 O HETATM 564 C5' AZW D 3 -3.956 5.353 11.155 1.00 1.00 C HETATM 565 C1A AZW D 3 -3.259 6.132 10.067 1.00 1.00 C HETATM 566 C2A AZW D 3 -2.088 6.835 10.365 1.00 1.00 C HETATM 567 C6A AZW D 3 -3.766 6.134 8.758 1.00 1.00 C HETATM 568 C3A AZW D 3 -1.418 7.536 9.358 1.00 1.00 C HETATM 569 C5A AZW D 3 -3.093 6.837 7.749 1.00 1.00 C HETATM 570 C4A AZW D 3 -1.918 7.537 8.050 1.00 1.00 C HETATM 571 N5A AZW D 3 -1.216 8.222 7.038 1.00 1.00 N HETATM 572 C1B AZW D 3 1.946 9.706 3.396 1.00 1.00 C HETATM 573 C2B AZW D 3 2.459 9.587 4.695 1.00 1.00 C HETATM 574 C6B AZW D 3 0.694 9.153 3.086 1.00 1.00 C HETATM 575 C3B AZW D 3 1.727 8.918 5.679 1.00 1.00 C HETATM 576 C5B AZW D 3 -0.039 8.480 4.075 1.00 1.00 C HETATM 577 C4B AZW D 3 0.481 8.364 5.372 1.00 1.00 C HETATM 578 N5B AZW D 3 -0.239 7.682 6.374 1.00 1.00 N HETATM 579 C3' AZW D 3 2.740 10.424 2.324 1.00 1.00 C HETATM 580 O3' AZW D 3 3.566 11.439 2.888 1.00 1.00 O ATOM 593 P DG D 4 5.152 11.210 3.001 1.00 1.00 P ATOM 594 OP1 DG D 4 5.656 12.032 4.126 1.00 1.00 O ATOM 595 OP2 DG D 4 5.729 11.399 1.651 1.00 1.00 O ATOM 596 O5' DG D 4 5.283 9.676 3.406 1.00 1.00 O ATOM 597 C5' DG D 4 6.556 9.049 3.527 1.00 1.00 C ATOM 598 C4' DG D 4 6.582 8.178 4.762 1.00 1.00 C ATOM 599 O4' DG D 4 5.220 7.829 5.125 1.00 1.00 O ATOM 600 C3' DG D 4 7.329 6.850 4.613 1.00 1.00 C ATOM 601 O3' DG D 4 8.023 6.552 5.831 1.00 1.00 O ATOM 602 C2' DG D 4 6.207 5.857 4.371 1.00 1.00 C ATOM 603 C1' DG D 4 5.118 6.421 5.260 1.00 1.00 C ATOM 604 N9 DG D 4 3.759 6.001 4.930 1.00 1.00 N ATOM 605 C8 DG D 4 2.850 5.444 5.799 1.00 1.00 C ATOM 606 N7 DG D 4 1.718 5.128 5.234 1.00 1.00 N ATOM 607 C5 DG D 4 1.884 5.499 3.908 1.00 1.00 C ATOM 608 C6 DG D 4 0.987 5.395 2.815 1.00 1.00 C ATOM 609 O6 DG D 4 -0.162 4.933 2.812 1.00 1.00 O ATOM 610 N1 DG D 4 1.540 5.884 1.635 1.00 1.00 N ATOM 611 C2 DG D 4 2.809 6.406 1.533 1.00 1.00 C ATOM 612 N2 DG D 4 3.186 6.826 0.314 1.00 1.00 N ATOM 613 N3 DG D 4 3.656 6.509 2.545 1.00 1.00 N ATOM 614 C4 DG D 4 3.136 6.039 3.699 1.00 1.00 C ATOM 0 H5' DG D 4 7.339 9.804 3.587 1.00 1.00 H new ATOM 0 H5'' DG D 4 6.761 8.447 2.642 1.00 1.00 H new ATOM 0 H4' DG D 4 7.107 8.775 5.508 1.00 1.00 H new ATOM 0 H3' DG D 4 8.077 6.845 3.820 1.00 1.00 H new ATOM 0 H2' DG D 4 5.907 5.823 3.324 1.00 1.00 H new ATOM 0 H2'' DG D 4 6.487 4.843 4.656 1.00 1.00 H new ATOM 0 H1' DG D 4 5.274 6.050 6.273 1.00 1.00 H new ATOM 0 H8 DG D 4 3.054 5.284 6.847 1.00 1.00 H new ATOM 0 H1 DG D 4 0.968 5.853 0.791 1.00 1.00 H new ATOM 0 H21 DG D 4 4.116 7.222 0.176 1.00 1.00 H new ATOM 0 H22 DG D 4 2.543 6.748 -0.474 1.00 1.00 H new ATOM 626 P DG D 5 8.919 5.224 5.962 1.00 1.00 P ATOM 627 OP1 DG D 5 9.964 5.510 6.973 1.00 1.00 O ATOM 628 OP2 DG D 5 9.322 4.792 4.604 1.00 1.00 O ATOM 629 O5' DG D 5 7.927 4.136 6.566 1.00 1.00 O ATOM 630 C5' DG D 5 7.288 4.350 7.823 1.00 1.00 C ATOM 631 C4' DG D 5 6.210 3.315 8.050 1.00 1.00 C ATOM 632 O4' DG D 5 5.202 3.432 7.017 1.00 1.00 O ATOM 633 C3' DG D 5 6.696 1.863 7.999 1.00 1.00 C ATOM 634 O3' DG D 5 6.331 1.161 9.194 1.00 1.00 O ATOM 635 C2' DG D 5 5.983 1.270 6.794 1.00 1.00 C ATOM 636 C1' DG D 5 4.742 2.131 6.706 1.00 1.00 C ATOM 637 N9 DG D 5 4.085 2.148 5.402 1.00 1.00 N ATOM 638 C8 DG D 5 4.623 2.528 4.195 1.00 1.00 C ATOM 639 N7 DG D 5 3.786 2.419 3.198 1.00 1.00 N ATOM 640 C5 DG D 5 2.622 1.939 3.781 1.00 1.00 C ATOM 641 C6 DG D 5 1.363 1.621 3.198 1.00 1.00 C ATOM 642 O6 DG D 5 1.023 1.701 2.007 1.00 1.00 O ATOM 643 N1 DG D 5 0.450 1.163 4.143 1.00 1.00 N ATOM 644 C2 DG D 5 0.726 1.028 5.486 1.00 1.00 C ATOM 645 N2 DG D 5 -0.268 0.566 6.257 1.00 1.00 N ATOM 646 N3 DG D 5 1.892 1.319 6.040 1.00 1.00 N ATOM 647 C4 DG D 5 2.790 1.766 5.137 1.00 1.00 C ATOM 0 H5' DG D 5 6.853 5.349 7.852 1.00 1.00 H new ATOM 0 H5'' DG D 5 8.024 4.300 8.625 1.00 1.00 H new ATOM 0 H4' DG D 5 5.836 3.519 9.053 1.00 1.00 H new ATOM 0 H3' DG D 5 7.781 1.792 7.921 1.00 1.00 H new ATOM 0 H2' DG D 5 6.588 1.334 5.890 1.00 1.00 H new ATOM 0 H2'' DG D 5 5.740 0.218 6.941 1.00 1.00 H new ATOM 0 HO3' DG D 5 6.649 0.236 9.140 1.00 1.00 H new ATOM 0 H1' DG D 5 3.981 1.735 7.379 1.00 1.00 H new ATOM 0 H8 DG D 5 5.637 2.882 4.082 1.00 1.00 H new ATOM 0 H1 DG D 5 -0.484 0.911 3.820 1.00 1.00 H new ATOM 0 H21 DG D 5 -0.122 0.445 7.259 1.00 1.00 H new ATOM 0 H22 DG D 5 -1.170 0.335 5.842 1.00 1.00 H new TER 660 DG D 5 HETATM 661 K K A 101 1.146 -3.799 -0.761 1.00 1.00 K HETATM 662 K K A 102 -0.163 -0.320 0.111 1.00 1.00 K HETATM 663 K K C 101 -1.353 3.401 1.014 1.00 1.00 K