USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.465 (180deg=-1.85) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.627 (180deg=-2.36!) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.177 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.489 3.136 -13.667 1.00 0.00 O ATOM 2 C5' DG A 1 33.339 3.580 -14.391 1.00 0.00 C ATOM 3 C4' DG A 1 32.189 2.578 -14.290 1.00 0.00 C ATOM 4 O4' DG A 1 32.560 1.337 -14.916 1.00 0.00 O ATOM 5 C3' DG A 1 31.769 2.258 -12.855 1.00 0.00 C ATOM 6 O3' DG A 1 30.340 2.153 -12.794 1.00 0.00 O ATOM 7 C2' DG A 1 32.423 0.909 -12.589 1.00 0.00 C ATOM 8 C1' DG A 1 32.429 0.273 -13.968 1.00 0.00 C ATOM 9 N9 DG A 1 33.529 -0.685 -14.196 1.00 0.00 N ATOM 10 C8 DG A 1 34.880 -0.507 -14.043 1.00 0.00 C ATOM 11 N7 DG A 1 35.588 -1.566 -14.332 1.00 0.00 N ATOM 12 C5 DG A 1 34.636 -2.513 -14.703 1.00 0.00 C ATOM 13 C6 DG A 1 34.803 -3.862 -15.125 1.00 0.00 C ATOM 14 O6 DG A 1 35.846 -4.500 -15.255 1.00 0.00 O ATOM 15 N1 DG A 1 33.583 -4.461 -15.404 1.00 0.00 N ATOM 16 C2 DG A 1 32.357 -3.844 -15.291 1.00 0.00 C ATOM 17 N2 DG A 1 31.291 -4.573 -15.598 1.00 0.00 N ATOM 18 N3 DG A 1 32.199 -2.583 -14.897 1.00 0.00 N ATOM 19 C4 DG A 1 33.376 -1.980 -14.621 1.00 0.00 C ATOM 0 H5' DG A 1 33.602 3.728 -15.438 1.00 0.00 H new ATOM 0 H5'' DG A 1 33.015 4.546 -14.004 1.00 0.00 H new ATOM 0 H4' DG A 1 31.347 3.055 -14.791 1.00 0.00 H new ATOM 0 H3' DG A 1 32.064 3.014 -12.128 1.00 0.00 H new ATOM 0 H2' DG A 1 33.430 1.018 -12.187 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.856 0.317 -11.871 1.00 0.00 H new ATOM 0 HO5' DG A 1 35.206 3.798 -13.754 1.00 0.00 H new ATOM 0 H1' DG A 1 31.505 -0.297 -14.069 1.00 0.00 H new ATOM 0 H8 DG A 1 35.318 0.423 -13.714 1.00 0.00 H new ATOM 0 H1 DG A 1 33.595 -5.432 -15.716 1.00 0.00 H new ATOM 0 H21 DG A 1 30.358 -4.166 -15.532 1.00 0.00 H new ATOM 0 H22 DG A 1 31.405 -5.541 -15.900 1.00 0.00 H new ATOM 32 P DT A 2 29.593 1.602 -11.476 1.00 0.00 P ATOM 33 OP1 DT A 2 28.318 2.337 -11.320 1.00 0.00 O ATOM 34 OP2 DT A 2 30.566 1.572 -10.358 1.00 0.00 O ATOM 35 O5' DT A 2 29.246 0.083 -11.889 1.00 0.00 O ATOM 36 C5' DT A 2 28.381 -0.173 -13.001 1.00 0.00 C ATOM 37 C4' DT A 2 27.837 -1.599 -12.991 1.00 0.00 C ATOM 38 O4' DT A 2 28.868 -2.524 -13.364 1.00 0.00 O ATOM 39 C3' DT A 2 27.276 -2.041 -11.641 1.00 0.00 C ATOM 40 O3' DT A 2 26.042 -2.744 -11.844 1.00 0.00 O ATOM 41 C2' DT A 2 28.339 -2.982 -11.089 1.00 0.00 C ATOM 42 C1' DT A 2 29.026 -3.510 -12.340 1.00 0.00 C ATOM 43 N1 DT A 2 30.474 -3.769 -12.176 1.00 0.00 N ATOM 44 C2 DT A 2 30.945 -5.012 -12.561 1.00 0.00 C ATOM 45 O2 DT A 2 30.204 -5.874 -13.025 1.00 0.00 O ATOM 46 N3 DT A 2 32.299 -5.232 -12.383 1.00 0.00 N ATOM 47 C4 DT A 2 33.206 -4.329 -11.854 1.00 0.00 C ATOM 48 O4 DT A 2 34.393 -4.626 -11.731 1.00 0.00 O ATOM 49 C5 DT A 2 32.625 -3.061 -11.479 1.00 0.00 C ATOM 50 C7 DT A 2 33.516 -1.985 -10.863 1.00 0.00 C ATOM 51 C6 DT A 2 31.311 -2.820 -11.649 1.00 0.00 C ATOM 0 H5' DT A 2 28.925 0.000 -13.930 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.550 0.532 -12.982 1.00 0.00 H new ATOM 0 H4' DT A 2 27.016 -1.599 -13.707 1.00 0.00 H new ATOM 0 H3' DT A 2 27.068 -1.210 -10.967 1.00 0.00 H new ATOM 0 H2' DT A 2 29.039 -2.460 -10.437 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.897 -3.788 -10.503 1.00 0.00 H new ATOM 0 H1' DT A 2 28.563 -4.467 -12.581 1.00 0.00 H new ATOM 0 H3 DT A 2 32.662 -6.142 -12.667 1.00 0.00 H new ATOM 0 H71 DT A 2 34.329 -2.458 -10.311 1.00 0.00 H new ATOM 0 H72 DT A 2 33.930 -1.359 -11.653 1.00 0.00 H new ATOM 0 H73 DT A 2 32.926 -1.369 -10.184 1.00 0.00 H new ATOM 0 H6 DT A 2 30.908 -1.859 -11.364 1.00 0.00 H new ATOM 64 P DC A 3 25.318 -3.531 -10.637 1.00 0.00 P ATOM 65 OP1 DC A 3 23.855 -3.367 -10.784 1.00 0.00 O ATOM 66 OP2 DC A 3 25.979 -3.150 -9.363 1.00 0.00 O ATOM 67 O5' DC A 3 25.685 -5.064 -10.958 1.00 0.00 O ATOM 68 C5' DC A 3 25.170 -5.700 -12.134 1.00 0.00 C ATOM 69 C4' DC A 3 25.366 -7.212 -12.087 1.00 0.00 C ATOM 70 O4' DC A 3 26.765 -7.518 -12.141 1.00 0.00 O ATOM 71 C3' DC A 3 24.800 -7.862 -10.830 1.00 0.00 C ATOM 72 O3' DC A 3 24.240 -9.139 -11.163 1.00 0.00 O ATOM 73 C2' DC A 3 26.016 -8.039 -9.936 1.00 0.00 C ATOM 74 C1' DC A 3 27.167 -8.167 -10.929 1.00 0.00 C ATOM 75 N1 DC A 3 28.429 -7.532 -10.483 1.00 0.00 N ATOM 76 C2 DC A 3 29.591 -8.294 -10.531 1.00 0.00 C ATOM 77 O2 DC A 3 29.563 -9.457 -10.932 1.00 0.00 O ATOM 78 N3 DC A 3 30.754 -7.716 -10.129 1.00 0.00 N ATOM 79 C4 DC A 3 30.784 -6.452 -9.699 1.00 0.00 C ATOM 80 N4 DC A 3 31.942 -5.923 -9.319 1.00 0.00 N ATOM 81 C5 DC A 3 29.598 -5.663 -9.647 1.00 0.00 C ATOM 82 C6 DC A 3 28.448 -6.236 -10.046 1.00 0.00 C ATOM 0 H5' DC A 3 25.668 -5.295 -13.015 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.109 -5.473 -12.236 1.00 0.00 H new ATOM 0 H4' DC A 3 24.825 -7.611 -12.945 1.00 0.00 H new ATOM 0 H3' DC A 3 24.012 -7.276 -10.357 1.00 0.00 H new ATOM 0 H2' DC A 3 26.153 -7.187 -9.270 1.00 0.00 H new ATOM 0 H2'' DC A 3 25.927 -8.925 -9.307 1.00 0.00 H new ATOM 0 H1' DC A 3 27.369 -9.232 -11.046 1.00 0.00 H new ATOM 0 H41 DC A 3 31.978 -4.959 -8.989 1.00 0.00 H new ATOM 0 H42 DC A 3 32.795 -6.481 -9.358 1.00 0.00 H new ATOM 0 H5 DC A 3 29.622 -4.641 -9.299 1.00 0.00 H new ATOM 0 H6 DC A 3 27.530 -5.667 -10.021 1.00 0.00 H new ATOM 94 P DG A 4 23.266 -9.915 -10.136 1.00 0.00 P ATOM 95 OP1 DG A 4 22.060 -10.347 -10.879 1.00 0.00 O ATOM 96 OP2 DG A 4 23.124 -9.090 -8.914 1.00 0.00 O ATOM 97 O5' DG A 4 24.128 -11.227 -9.765 1.00 0.00 O ATOM 98 C5' DG A 4 24.366 -12.229 -10.760 1.00 0.00 C ATOM 99 C4' DG A 4 25.534 -13.147 -10.397 1.00 0.00 C ATOM 100 O4' DG A 4 26.696 -12.368 -10.067 1.00 0.00 O ATOM 101 C3' DG A 4 25.273 -14.086 -9.217 1.00 0.00 C ATOM 102 O3' DG A 4 25.903 -15.349 -9.489 1.00 0.00 O ATOM 103 C2' DG A 4 25.964 -13.383 -8.060 1.00 0.00 C ATOM 104 C1' DG A 4 27.141 -12.728 -8.754 1.00 0.00 C ATOM 105 N9 DG A 4 27.657 -11.515 -8.089 1.00 0.00 N ATOM 106 C8 DG A 4 26.972 -10.429 -7.611 1.00 0.00 C ATOM 107 N7 DG A 4 27.739 -9.504 -7.096 1.00 0.00 N ATOM 108 C5 DG A 4 29.025 -10.021 -7.241 1.00 0.00 C ATOM 109 C6 DG A 4 30.284 -9.471 -6.863 1.00 0.00 C ATOM 110 O6 DG A 4 30.515 -8.388 -6.325 1.00 0.00 O ATOM 111 N1 DG A 4 31.327 -10.325 -7.188 1.00 0.00 N ATOM 112 C2 DG A 4 31.184 -11.551 -7.797 1.00 0.00 C ATOM 113 N2 DG A 4 32.298 -12.234 -8.024 1.00 0.00 N ATOM 114 N3 DG A 4 30.010 -12.063 -8.153 1.00 0.00 N ATOM 115 C4 DG A 4 28.979 -11.250 -7.846 1.00 0.00 C ATOM 0 H5' DG A 4 24.570 -11.746 -11.716 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.465 -12.828 -10.892 1.00 0.00 H new ATOM 0 H4' DG A 4 25.680 -13.762 -11.285 1.00 0.00 H new ATOM 0 H3' DG A 4 24.219 -14.282 -9.020 1.00 0.00 H new ATOM 0 H2' DG A 4 25.314 -12.652 -7.579 1.00 0.00 H new ATOM 0 H2'' DG A 4 26.283 -14.083 -7.288 1.00 0.00 H new ATOM 0 H1' DG A 4 27.964 -13.443 -8.745 1.00 0.00 H new ATOM 0 H8 DG A 4 25.896 -10.345 -7.656 1.00 0.00 H new ATOM 0 H1 DG A 4 32.273 -10.021 -6.958 1.00 0.00 H new ATOM 0 H21 DG A 4 32.253 -13.149 -8.473 1.00 0.00 H new ATOM 0 H22 DG A 4 33.200 -11.844 -7.750 1.00 0.00 H new ATOM 127 P DG A 5 25.922 -16.549 -8.409 1.00 0.00 P ATOM 128 OP1 DG A 5 25.494 -17.792 -9.093 1.00 0.00 O ATOM 129 OP2 DG A 5 25.211 -16.098 -7.192 1.00 0.00 O ATOM 130 O5' DG A 5 27.493 -16.681 -8.059 1.00 0.00 O ATOM 131 C5' DG A 5 28.431 -17.105 -9.061 1.00 0.00 C ATOM 132 C4' DG A 5 29.829 -17.344 -8.482 1.00 0.00 C ATOM 133 O4' DG A 5 30.360 -16.116 -7.963 1.00 0.00 O ATOM 134 C3' DG A 5 29.870 -18.367 -7.348 1.00 0.00 C ATOM 135 O3' DG A 5 31.095 -19.112 -7.414 1.00 0.00 O ATOM 136 C2' DG A 5 29.858 -17.505 -6.100 1.00 0.00 C ATOM 137 C1' DG A 5 30.596 -16.254 -6.556 1.00 0.00 C ATOM 138 N9 DG A 5 30.130 -15.012 -5.915 1.00 0.00 N ATOM 139 C8 DG A 5 28.856 -14.521 -5.857 1.00 0.00 C ATOM 140 N7 DG A 5 28.759 -13.367 -5.260 1.00 0.00 N ATOM 141 C5 DG A 5 30.067 -13.072 -4.890 1.00 0.00 C ATOM 142 C6 DG A 5 30.584 -11.941 -4.205 1.00 0.00 C ATOM 143 O6 DG A 5 29.976 -10.950 -3.802 1.00 0.00 O ATOM 144 N1 DG A 5 31.957 -12.038 -4.028 1.00 0.00 N ATOM 145 C2 DG A 5 32.738 -13.088 -4.459 1.00 0.00 C ATOM 146 N2 DG A 5 34.037 -13.005 -4.197 1.00 0.00 N ATOM 147 N3 DG A 5 32.255 -14.151 -5.105 1.00 0.00 N ATOM 148 C4 DG A 5 30.916 -14.076 -5.286 1.00 0.00 C ATOM 0 H5' DG A 5 28.489 -16.350 -9.845 1.00 0.00 H new ATOM 0 H5'' DG A 5 28.071 -18.022 -9.528 1.00 0.00 H new ATOM 0 H4' DG A 5 30.418 -17.735 -9.311 1.00 0.00 H new ATOM 0 H3' DG A 5 29.051 -19.086 -7.383 1.00 0.00 H new ATOM 0 H2' DG A 5 28.843 -17.280 -5.772 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.362 -17.992 -5.266 1.00 0.00 H new ATOM 0 H1' DG A 5 31.645 -16.382 -6.288 1.00 0.00 H new ATOM 0 H8 DG A 5 28.005 -15.043 -6.269 1.00 0.00 H new ATOM 0 H1 DG A 5 32.424 -11.273 -3.541 1.00 0.00 H new ATOM 0 H21 DG A 5 34.665 -13.752 -4.492 1.00 0.00 H new ATOM 0 H22 DG A 5 34.406 -12.194 -3.701 1.00 0.00 H new ATOM 160 P DC A 6 31.446 -20.239 -6.312 1.00 0.00 P ATOM 161 OP1 DC A 6 32.225 -21.305 -6.979 1.00 0.00 O ATOM 162 OP2 DC A 6 30.205 -20.583 -5.584 1.00 0.00 O ATOM 163 O5' DC A 6 32.429 -19.458 -5.295 1.00 0.00 O ATOM 164 C5' DC A 6 33.769 -19.135 -5.688 1.00 0.00 C ATOM 165 C4' DC A 6 34.617 -18.632 -4.517 1.00 0.00 C ATOM 166 O4' DC A 6 34.111 -17.375 -4.041 1.00 0.00 O ATOM 167 C3' DC A 6 34.678 -19.587 -3.325 1.00 0.00 C ATOM 168 O3' DC A 6 36.022 -19.638 -2.823 1.00 0.00 O ATOM 169 C2' DC A 6 33.750 -18.949 -2.302 1.00 0.00 C ATOM 170 C1' DC A 6 33.829 -17.472 -2.641 1.00 0.00 C ATOM 171 N1 DC A 6 32.583 -16.726 -2.373 1.00 0.00 N ATOM 172 C2 DC A 6 32.651 -15.647 -1.502 1.00 0.00 C ATOM 173 O2 DC A 6 33.718 -15.339 -0.976 1.00 0.00 O ATOM 174 N3 DC A 6 31.510 -14.955 -1.245 1.00 0.00 N ATOM 175 C4 DC A 6 30.351 -15.302 -1.815 1.00 0.00 C ATOM 176 N4 DC A 6 29.255 -14.598 -1.544 1.00 0.00 N ATOM 177 C5 DC A 6 30.276 -16.413 -2.712 1.00 0.00 C ATOM 178 C6 DC A 6 31.408 -17.091 -2.961 1.00 0.00 C ATOM 0 H5' DC A 6 33.742 -18.373 -6.467 1.00 0.00 H new ATOM 0 H5'' DC A 6 34.240 -20.017 -6.121 1.00 0.00 H new ATOM 0 H4' DC A 6 35.626 -18.541 -4.920 1.00 0.00 H new ATOM 0 H3' DC A 6 34.388 -20.609 -3.570 1.00 0.00 H new ATOM 0 H2' DC A 6 32.732 -19.329 -2.389 1.00 0.00 H new ATOM 0 H2'' DC A 6 34.078 -19.147 -1.281 1.00 0.00 H new ATOM 0 H1' DC A 6 34.600 -17.030 -2.009 1.00 0.00 H new ATOM 0 H41 DC A 6 28.366 -14.854 -1.973 1.00 0.00 H new ATOM 0 H42 DC A 6 29.304 -13.803 -0.907 1.00 0.00 H new ATOM 0 H5 DC A 6 29.342 -16.697 -3.173 1.00 0.00 H new ATOM 0 H6 DC A 6 31.388 -17.935 -3.635 1.00 0.00 H new ATOM 190 P DT A 7 36.355 -20.243 -1.363 1.00 0.00 P ATOM 191 OP1 DT A 7 37.760 -20.708 -1.366 1.00 0.00 O ATOM 192 OP2 DT A 7 35.272 -21.178 -0.982 1.00 0.00 O ATOM 193 O5' DT A 7 36.262 -18.939 -0.420 1.00 0.00 O ATOM 194 C5' DT A 7 37.042 -17.778 -0.729 1.00 0.00 C ATOM 195 C4' DT A 7 37.352 -16.938 0.513 1.00 0.00 C ATOM 196 O4' DT A 7 36.225 -16.117 0.836 1.00 0.00 O ATOM 197 C3' DT A 7 37.684 -17.756 1.756 1.00 0.00 C ATOM 198 O3' DT A 7 38.644 -17.048 2.555 1.00 0.00 O ATOM 199 C2' DT A 7 36.353 -17.832 2.489 1.00 0.00 C ATOM 200 C1' DT A 7 35.678 -16.519 2.096 1.00 0.00 C ATOM 201 N1 DT A 7 34.211 -16.596 1.926 1.00 0.00 N ATOM 202 C2 DT A 7 33.460 -15.534 2.396 1.00 0.00 C ATOM 203 O2 DT A 7 33.968 -14.575 2.972 1.00 0.00 O ATOM 204 N3 DT A 7 32.095 -15.617 2.183 1.00 0.00 N ATOM 205 C4 DT A 7 31.430 -16.655 1.551 1.00 0.00 C ATOM 206 O4 DT A 7 30.209 -16.629 1.407 1.00 0.00 O ATOM 207 C5 DT A 7 32.296 -17.717 1.101 1.00 0.00 C ATOM 208 C7 DT A 7 31.685 -18.938 0.421 1.00 0.00 C ATOM 209 C6 DT A 7 33.628 -17.660 1.295 1.00 0.00 C ATOM 0 H5' DT A 7 36.506 -17.166 -1.454 1.00 0.00 H new ATOM 0 H5'' DT A 7 37.976 -18.085 -1.199 1.00 0.00 H new ATOM 0 H4' DT A 7 38.234 -16.354 0.251 1.00 0.00 H new ATOM 0 H3' DT A 7 38.108 -18.735 1.533 1.00 0.00 H new ATOM 0 H2' DT A 7 35.768 -18.697 2.177 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.489 -17.911 3.568 1.00 0.00 H new ATOM 0 H1' DT A 7 35.864 -15.821 2.913 1.00 0.00 H new ATOM 0 H3 DT A 7 31.526 -14.842 2.523 1.00 0.00 H new ATOM 0 H71 DT A 7 30.682 -19.108 0.812 1.00 0.00 H new ATOM 0 H72 DT A 7 31.632 -18.767 -0.654 1.00 0.00 H new ATOM 0 H73 DT A 7 32.304 -19.813 0.619 1.00 0.00 H new ATOM 0 H6 DT A 7 34.248 -18.472 0.945 1.00 0.00 H new ATOM 222 P DG A 8 39.381 -17.773 3.793 1.00 0.00 P ATOM 223 OP1 DG A 8 40.797 -17.339 3.806 1.00 0.00 O ATOM 224 OP2 DG A 8 39.056 -19.216 3.747 1.00 0.00 O ATOM 225 O5' DG A 8 38.645 -17.135 5.079 1.00 0.00 O ATOM 226 C5' DG A 8 39.015 -15.839 5.565 1.00 0.00 C ATOM 227 C4' DG A 8 38.251 -15.466 6.836 1.00 0.00 C ATOM 228 O4' DG A 8 36.852 -15.371 6.540 1.00 0.00 O ATOM 229 C3' DG A 8 38.413 -16.466 7.980 1.00 0.00 C ATOM 230 O3' DG A 8 38.520 -15.800 9.243 1.00 0.00 O ATOM 231 C2' DG A 8 37.146 -17.296 7.903 1.00 0.00 C ATOM 232 C1' DG A 8 36.132 -16.312 7.341 1.00 0.00 C ATOM 233 N9 DG A 8 35.109 -16.936 6.483 1.00 0.00 N ATOM 234 C8 DG A 8 35.211 -18.062 5.712 1.00 0.00 C ATOM 235 N7 DG A 8 34.113 -18.373 5.081 1.00 0.00 N ATOM 236 C5 DG A 8 33.216 -17.376 5.462 1.00 0.00 C ATOM 237 C6 DG A 8 31.853 -17.178 5.097 1.00 0.00 C ATOM 238 O6 DG A 8 31.154 -17.863 4.353 1.00 0.00 O ATOM 239 N1 DG A 8 31.324 -16.051 5.706 1.00 0.00 N ATOM 240 C2 DG A 8 32.013 -15.215 6.557 1.00 0.00 C ATOM 241 N2 DG A 8 31.338 -14.177 7.042 1.00 0.00 N ATOM 242 N3 DG A 8 33.286 -15.399 6.903 1.00 0.00 N ATOM 243 C4 DG A 8 33.822 -16.493 6.320 1.00 0.00 C ATOM 0 H5' DG A 8 38.822 -15.093 4.794 1.00 0.00 H new ATOM 0 H5'' DG A 8 40.086 -15.819 5.766 1.00 0.00 H new ATOM 0 H4' DG A 8 38.674 -14.517 7.166 1.00 0.00 H new ATOM 0 H3' DG A 8 39.320 -17.065 7.894 1.00 0.00 H new ATOM 0 H2' DG A 8 37.270 -18.164 7.255 1.00 0.00 H new ATOM 0 H2'' DG A 8 36.847 -17.670 8.882 1.00 0.00 H new ATOM 0 HO3' DG A 8 38.621 -16.465 9.956 1.00 0.00 H new ATOM 0 H1' DG A 8 35.611 -15.861 8.186 1.00 0.00 H new ATOM 0 H8 DG A 8 36.119 -18.641 5.633 1.00 0.00 H new ATOM 0 H1 DG A 8 30.350 -15.823 5.509 1.00 0.00 H new ATOM 0 H21 DG A 8 31.795 -13.523 7.677 1.00 0.00 H new ATOM 0 H22 DG A 8 30.363 -14.035 6.779 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 22.781 -14.675 6.091 1.00 0.00 O ATOM 258 C5' DC B 1 22.726 -14.126 7.412 1.00 0.00 C ATOM 259 C4' DC B 1 23.866 -13.137 7.660 1.00 0.00 C ATOM 260 O4' DC B 1 25.121 -13.827 7.593 1.00 0.00 O ATOM 261 C3' DC B 1 23.912 -11.982 6.662 1.00 0.00 C ATOM 262 O3' DC B 1 24.211 -10.759 7.350 1.00 0.00 O ATOM 263 C2' DC B 1 25.054 -12.345 5.724 1.00 0.00 C ATOM 264 C1' DC B 1 25.943 -13.241 6.578 1.00 0.00 C ATOM 265 N1 DC B 1 26.579 -14.348 5.831 1.00 0.00 N ATOM 266 C2 DC B 1 27.960 -14.469 5.899 1.00 0.00 C ATOM 267 O2 DC B 1 28.622 -13.667 6.554 1.00 0.00 O ATOM 268 N3 DC B 1 28.552 -15.493 5.223 1.00 0.00 N ATOM 269 C4 DC B 1 27.822 -16.359 4.510 1.00 0.00 C ATOM 270 N4 DC B 1 28.432 -17.352 3.860 1.00 0.00 N ATOM 271 C5 DC B 1 26.399 -16.237 4.437 1.00 0.00 C ATOM 272 C6 DC B 1 25.823 -15.222 5.109 1.00 0.00 C ATOM 0 H5' DC B 1 22.778 -14.932 8.144 1.00 0.00 H new ATOM 0 H5'' DC B 1 21.770 -13.624 7.558 1.00 0.00 H new ATOM 0 H4' DC B 1 23.683 -12.712 8.647 1.00 0.00 H new ATOM 0 H3' DC B 1 22.968 -11.837 6.137 1.00 0.00 H new ATOM 0 H2' DC B 1 24.694 -12.865 4.836 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.588 -11.459 5.380 1.00 0.00 H new ATOM 0 HO5' DC B 1 22.040 -15.304 5.967 1.00 0.00 H new ATOM 0 H1' DC B 1 26.744 -12.614 6.970 1.00 0.00 H new ATOM 0 H41 DC B 1 27.884 -18.017 3.314 1.00 0.00 H new ATOM 0 H42 DC B 1 29.446 -17.446 3.909 1.00 0.00 H new ATOM 0 H5 DC B 1 25.807 -16.934 3.863 1.00 0.00 H new ATOM 0 H6 DC B 1 24.751 -15.099 5.075 1.00 0.00 H new ATOM 285 P DA B 2 23.959 -9.328 6.646 1.00 0.00 P ATOM 286 OP1 DA B 2 23.373 -8.415 7.655 1.00 0.00 O ATOM 287 OP2 DA B 2 23.256 -9.557 5.363 1.00 0.00 O ATOM 288 O5' DA B 2 25.457 -8.823 6.318 1.00 0.00 O ATOM 289 C5' DA B 2 26.270 -8.247 7.348 1.00 0.00 C ATOM 290 C4' DA B 2 27.711 -8.013 6.893 1.00 0.00 C ATOM 291 O4' DA B 2 28.279 -9.238 6.413 1.00 0.00 O ATOM 292 C3' DA B 2 27.869 -6.968 5.790 1.00 0.00 C ATOM 293 O3' DA B 2 29.020 -6.155 6.079 1.00 0.00 O ATOM 294 C2' DA B 2 28.100 -7.793 4.536 1.00 0.00 C ATOM 295 C1' DA B 2 28.751 -9.050 5.076 1.00 0.00 C ATOM 296 N9 DA B 2 28.415 -10.255 4.311 1.00 0.00 N ATOM 297 C8 DA B 2 27.231 -10.574 3.706 1.00 0.00 C ATOM 298 N7 DA B 2 27.247 -11.726 3.091 1.00 0.00 N ATOM 299 C5 DA B 2 28.542 -12.196 3.308 1.00 0.00 C ATOM 300 C6 DA B 2 29.211 -13.368 2.915 1.00 0.00 C ATOM 301 N6 DA B 2 28.644 -14.327 2.186 1.00 0.00 N ATOM 302 N1 DA B 2 30.487 -13.506 3.305 1.00 0.00 N ATOM 303 C2 DA B 2 31.054 -12.555 4.028 1.00 0.00 C ATOM 304 N3 DA B 2 30.538 -11.416 4.457 1.00 0.00 N ATOM 305 C4 DA B 2 29.256 -11.303 4.053 1.00 0.00 C ATOM 0 H5' DA B 2 26.269 -8.904 8.218 1.00 0.00 H new ATOM 0 H5'' DA B 2 25.834 -7.299 7.664 1.00 0.00 H new ATOM 0 H4' DA B 2 28.226 -7.636 7.777 1.00 0.00 H new ATOM 0 H3' DA B 2 27.013 -6.300 5.692 1.00 0.00 H new ATOM 0 H2' DA B 2 27.166 -8.012 4.018 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.745 -7.277 3.825 1.00 0.00 H new ATOM 0 H1' DA B 2 29.831 -8.915 5.014 1.00 0.00 H new ATOM 0 H8 DA B 2 26.363 -9.932 3.734 1.00 0.00 H new ATOM 0 H61 DA B 2 29.179 -15.157 1.930 1.00 0.00 H new ATOM 0 H62 DA B 2 27.675 -14.232 1.883 1.00 0.00 H new ATOM 0 H2 DA B 2 32.082 -12.734 4.307 1.00 0.00 H new ATOM 317 P DG B 3 29.638 -5.126 4.997 1.00 0.00 P ATOM 318 OP1 DG B 3 30.150 -3.943 5.725 1.00 0.00 O ATOM 319 OP2 DG B 3 28.656 -4.948 3.904 1.00 0.00 O ATOM 320 O5' DG B 3 30.902 -5.943 4.407 1.00 0.00 O ATOM 321 C5' DG B 3 32.023 -6.258 5.245 1.00 0.00 C ATOM 322 C4' DG B 3 33.199 -6.843 4.455 1.00 0.00 C ATOM 323 O4' DG B 3 32.864 -8.147 3.955 1.00 0.00 O ATOM 324 C3' DG B 3 33.648 -6.001 3.269 1.00 0.00 C ATOM 325 O3' DG B 3 35.083 -6.019 3.189 1.00 0.00 O ATOM 326 C2' DG B 3 33.045 -6.717 2.076 1.00 0.00 C ATOM 327 C1' DG B 3 33.024 -8.164 2.534 1.00 0.00 C ATOM 328 N9 DG B 3 31.915 -8.945 1.967 1.00 0.00 N ATOM 329 C8 DG B 3 30.597 -8.598 1.881 1.00 0.00 C ATOM 330 N7 DG B 3 29.848 -9.499 1.312 1.00 0.00 N ATOM 331 C5 DG B 3 30.739 -10.522 0.997 1.00 0.00 C ATOM 332 C6 DG B 3 30.504 -11.772 0.360 1.00 0.00 C ATOM 333 O6 DG B 3 29.442 -12.227 -0.057 1.00 0.00 O ATOM 334 N1 DG B 3 31.675 -12.506 0.234 1.00 0.00 N ATOM 335 C2 DG B 3 32.917 -12.093 0.664 1.00 0.00 C ATOM 336 N2 DG B 3 33.925 -12.930 0.451 1.00 0.00 N ATOM 337 N3 DG B 3 33.141 -10.922 1.263 1.00 0.00 N ATOM 338 C4 DG B 3 32.009 -10.191 1.396 1.00 0.00 C ATOM 0 H5' DG B 3 31.713 -6.970 6.009 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.350 -5.357 5.763 1.00 0.00 H new ATOM 0 H4' DG B 3 34.022 -6.874 5.169 1.00 0.00 H new ATOM 0 H3' DG B 3 33.340 -4.957 3.333 1.00 0.00 H new ATOM 0 H2' DG B 3 32.045 -6.350 1.846 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.647 -6.585 1.177 1.00 0.00 H new ATOM 0 H1' DG B 3 33.949 -8.635 2.202 1.00 0.00 H new ATOM 0 H8 DG B 3 30.210 -7.660 2.252 1.00 0.00 H new ATOM 0 H1 DG B 3 31.611 -13.422 -0.211 1.00 0.00 H new ATOM 0 H21 DG B 3 34.868 -12.679 0.748 1.00 0.00 H new ATOM 0 H22 DG B 3 33.757 -13.825 -0.009 1.00 0.00 H new HETATM 350 P N4S B 4 35.865 -5.336 1.951 1.00 0.00 P HETATM 351 OP1 N4S B 4 37.035 -4.610 2.491 1.00 0.00 O HETATM 352 OP2 N4S B 4 34.877 -4.620 1.112 1.00 0.00 O HETATM 353 C5' N4S B 4 37.448 -7.442 1.628 1.00 0.00 C HETATM 354 O5' N4S B 4 36.402 -6.607 1.112 1.00 0.00 O HETATM 355 C4' N4S B 4 37.867 -8.520 0.626 1.00 0.00 C HETATM 356 O4' N4S B 4 36.715 -9.274 0.223 1.00 0.00 O HETATM 357 C3' N4S B 4 38.517 -7.978 -0.650 1.00 0.00 C HETATM 358 O3' N4S B 4 39.540 -8.893 -1.082 1.00 0.00 O HETATM 359 C2' N4S B 4 37.366 -7.963 -1.639 1.00 0.00 C HETATM 360 C1' N4S B 4 36.553 -9.165 -1.194 1.00 0.00 C HETATM 361 N1 N4S B 4 35.112 -9.052 -1.472 1.00 0.00 N HETATM 362 C2 N4S B 4 34.515 -10.082 -2.177 1.00 0.00 C HETATM 363 O2 N4S B 4 35.179 -11.045 -2.548 1.00 0.00 O HETATM 364 N3 N4S B 4 33.187 -9.995 -2.441 1.00 0.00 N HETATM 365 C4 N4S B 4 32.470 -8.942 -2.033 1.00 0.00 C HETATM 366 N4 N4S B 4 31.178 -8.898 -2.310 1.00 0.00 N HETATM 367 C5 N4S B 4 33.085 -7.874 -1.305 1.00 0.00 C HETATM 368 C6 N4S B 4 34.400 -7.970 -1.047 1.00 0.00 C HETATM 369 CA N4S B 4 30.351 -7.741 -1.869 1.00 0.00 C HETATM 370 CB N4S B 4 29.095 -7.623 -2.737 1.00 0.00 C HETATM 371 CC N4S B 4 29.447 -6.932 -4.064 1.00 0.00 C HETATM 372 CE N4S B 4 28.484 -6.218 -6.193 1.00 0.00 C HETATM 373 CF N4S B 4 27.498 -5.040 -6.004 1.00 0.00 C HETATM 374 CG N4S B 4 28.257 -3.701 -5.866 1.00 0.00 C HETATM 375 CH N4S B 4 27.876 -2.739 -7.017 1.00 0.00 C HETATM 376 CJ N4S B 4 29.445 -1.034 -6.261 1.00 0.00 C HETATM 377 CK N4S B 4 29.621 0.441 -5.842 1.00 0.00 C HETATM 378 CL N4S B 4 31.119 0.817 -5.839 1.00 0.00 C HETATM 379 ND N4S B 4 28.381 -7.179 -5.064 1.00 0.00 N HETATM 380 NI N4S B 4 28.025 -1.325 -6.589 1.00 0.00 N HETATM 381 NM N4S B 4 31.442 1.665 -4.670 1.00 0.00 N ATOM 416 P DC B 5 40.202 -8.791 -2.550 1.00 0.00 P ATOM 417 OP1 DC B 5 41.545 -9.410 -2.496 1.00 0.00 O ATOM 418 OP2 DC B 5 40.058 -7.398 -3.034 1.00 0.00 O ATOM 419 O5' DC B 5 39.249 -9.744 -3.439 1.00 0.00 O ATOM 420 C5' DC B 5 39.248 -11.163 -3.236 1.00 0.00 C ATOM 421 C4' DC B 5 38.833 -11.920 -4.497 1.00 0.00 C ATOM 422 O4' DC B 5 37.431 -11.745 -4.729 1.00 0.00 O ATOM 423 C3' DC B 5 39.576 -11.490 -5.754 1.00 0.00 C ATOM 424 O3' DC B 5 39.922 -12.653 -6.521 1.00 0.00 O ATOM 425 C2' DC B 5 38.564 -10.646 -6.508 1.00 0.00 C ATOM 426 C1' DC B 5 37.225 -11.188 -6.025 1.00 0.00 C ATOM 427 N1 DC B 5 36.156 -10.172 -5.898 1.00 0.00 N ATOM 428 C2 DC B 5 34.982 -10.382 -6.607 1.00 0.00 C ATOM 429 O2 DC B 5 34.872 -11.356 -7.347 1.00 0.00 O ATOM 430 N3 DC B 5 33.970 -9.483 -6.461 1.00 0.00 N ATOM 431 C4 DC B 5 34.101 -8.422 -5.657 1.00 0.00 C ATOM 432 N4 DC B 5 33.086 -7.567 -5.537 1.00 0.00 N ATOM 433 C5 DC B 5 35.308 -8.196 -4.927 1.00 0.00 C ATOM 434 C6 DC B 5 36.307 -9.090 -5.077 1.00 0.00 C ATOM 0 H5' DC B 5 38.567 -11.413 -2.422 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.243 -11.486 -2.930 1.00 0.00 H new ATOM 0 H4' DC B 5 39.087 -12.963 -4.308 1.00 0.00 H new ATOM 0 H3' DC B 5 40.499 -10.948 -5.547 1.00 0.00 H new ATOM 0 H2' DC B 5 38.675 -9.586 -6.280 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.675 -10.753 -7.587 1.00 0.00 H new ATOM 0 H1' DC B 5 36.892 -11.907 -6.773 1.00 0.00 H new ATOM 0 H41 DC B 5 33.173 -6.754 -4.927 1.00 0.00 H new ATOM 0 H42 DC B 5 32.222 -7.725 -6.055 1.00 0.00 H new ATOM 0 H5 DC B 5 35.417 -7.340 -4.278 1.00 0.00 H new ATOM 0 H6 DC B 5 37.235 -8.949 -4.543 1.00 0.00 H new ATOM 446 P DG B 6 40.875 -12.546 -7.819 1.00 0.00 P ATOM 447 OP1 DG B 6 41.925 -13.585 -7.711 1.00 0.00 O ATOM 448 OP2 DG B 6 41.260 -11.126 -8.000 1.00 0.00 O ATOM 449 O5' DG B 6 39.876 -12.955 -9.018 1.00 0.00 O ATOM 450 C5' DG B 6 39.291 -14.262 -9.062 1.00 0.00 C ATOM 451 C4' DG B 6 38.208 -14.376 -10.135 1.00 0.00 C ATOM 452 O4' DG B 6 37.122 -13.484 -9.835 1.00 0.00 O ATOM 453 C3' DG B 6 38.684 -14.054 -11.546 1.00 0.00 C ATOM 454 O3' DG B 6 38.052 -14.946 -12.475 1.00 0.00 O ATOM 455 C2' DG B 6 38.193 -12.633 -11.770 1.00 0.00 C ATOM 456 C1' DG B 6 36.919 -12.602 -10.945 1.00 0.00 C ATOM 457 N9 DG B 6 36.574 -11.271 -10.415 1.00 0.00 N ATOM 458 C8 DG B 6 37.381 -10.359 -9.787 1.00 0.00 C ATOM 459 N7 DG B 6 36.770 -9.263 -9.440 1.00 0.00 N ATOM 460 C5 DG B 6 35.462 -9.460 -9.870 1.00 0.00 C ATOM 461 C6 DG B 6 34.333 -8.606 -9.770 1.00 0.00 C ATOM 462 O6 DG B 6 34.267 -7.485 -9.274 1.00 0.00 O ATOM 463 N1 DG B 6 33.204 -9.186 -10.330 1.00 0.00 N ATOM 464 C2 DG B 6 33.164 -10.432 -10.913 1.00 0.00 C ATOM 465 N2 DG B 6 31.987 -10.820 -11.398 1.00 0.00 N ATOM 466 N3 DG B 6 34.221 -11.237 -11.009 1.00 0.00 N ATOM 467 C4 DG B 6 35.333 -10.687 -10.467 1.00 0.00 C ATOM 0 H5' DG B 6 38.861 -14.499 -8.089 1.00 0.00 H new ATOM 0 H5'' DG B 6 40.070 -15.000 -9.255 1.00 0.00 H new ATOM 0 H4' DG B 6 37.902 -15.422 -10.117 1.00 0.00 H new ATOM 0 H3' DG B 6 39.761 -14.156 -11.677 1.00 0.00 H new ATOM 0 H2' DG B 6 38.917 -11.893 -11.429 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.001 -12.429 -12.824 1.00 0.00 H new ATOM 0 H1' DG B 6 36.096 -12.896 -11.596 1.00 0.00 H new ATOM 0 H8 DG B 6 38.430 -10.534 -9.597 1.00 0.00 H new ATOM 0 H1 DG B 6 32.338 -8.648 -10.308 1.00 0.00 H new ATOM 0 H21 DG B 6 31.894 -11.734 -11.842 1.00 0.00 H new ATOM 0 H22 DG B 6 31.177 -10.204 -11.326 1.00 0.00 H new ATOM 479 P DA B 7 38.381 -14.887 -14.054 1.00 0.00 P ATOM 480 OP1 DA B 7 38.657 -16.267 -14.518 1.00 0.00 O ATOM 481 OP2 DA B 7 39.377 -13.818 -14.287 1.00 0.00 O ATOM 482 O5' DA B 7 36.976 -14.412 -14.690 1.00 0.00 O ATOM 483 C5' DA B 7 35.824 -15.262 -14.621 1.00 0.00 C ATOM 484 C4' DA B 7 34.593 -14.628 -15.274 1.00 0.00 C ATOM 485 O4' DA B 7 34.197 -13.459 -14.549 1.00 0.00 O ATOM 486 C3' DA B 7 34.789 -14.221 -16.733 1.00 0.00 C ATOM 487 O3' DA B 7 33.626 -14.605 -17.486 1.00 0.00 O ATOM 488 C2' DA B 7 34.921 -12.707 -16.690 1.00 0.00 C ATOM 489 C1' DA B 7 34.172 -12.329 -15.426 1.00 0.00 C ATOM 490 N9 DA B 7 34.778 -11.202 -14.710 1.00 0.00 N ATOM 491 C8 DA B 7 36.075 -11.051 -14.315 1.00 0.00 C ATOM 492 N7 DA B 7 36.309 -9.927 -13.693 1.00 0.00 N ATOM 493 C5 DA B 7 35.068 -9.292 -13.681 1.00 0.00 C ATOM 494 C6 DA B 7 34.629 -8.058 -13.174 1.00 0.00 C ATOM 495 N6 DA B 7 35.429 -7.197 -12.546 1.00 0.00 N ATOM 496 N1 DA B 7 33.331 -7.749 -13.341 1.00 0.00 N ATOM 497 C2 DA B 7 32.536 -8.607 -13.967 1.00 0.00 C ATOM 498 N3 DA B 7 32.827 -9.787 -14.484 1.00 0.00 N ATOM 499 C4 DA B 7 34.132 -10.069 -14.302 1.00 0.00 C ATOM 0 H5' DA B 7 35.603 -15.487 -13.578 1.00 0.00 H new ATOM 0 H5'' DA B 7 36.045 -16.210 -15.112 1.00 0.00 H new ATOM 0 H4' DA B 7 33.830 -15.406 -15.248 1.00 0.00 H new ATOM 0 H3' DA B 7 35.654 -14.691 -17.201 1.00 0.00 H new ATOM 0 H2' DA B 7 35.965 -12.395 -16.648 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.484 -12.240 -17.572 1.00 0.00 H new ATOM 0 H1' DA B 7 33.164 -12.034 -15.718 1.00 0.00 H new ATOM 0 H8 DA B 7 36.838 -11.793 -14.500 1.00 0.00 H new ATOM 0 H61 DA B 7 35.055 -6.314 -12.198 1.00 0.00 H new ATOM 0 H62 DA B 7 36.415 -7.421 -12.413 1.00 0.00 H new ATOM 0 H2 DA B 7 31.506 -8.297 -14.068 1.00 0.00 H new ATOM 511 P DC B 8 33.369 -14.076 -18.988 1.00 0.00 P ATOM 512 OP1 DC B 8 32.551 -15.085 -19.699 1.00 0.00 O ATOM 513 OP2 DC B 8 34.663 -13.642 -19.562 1.00 0.00 O ATOM 514 O5' DC B 8 32.456 -12.767 -18.751 1.00 0.00 O ATOM 515 C5' DC B 8 31.123 -12.892 -18.239 1.00 0.00 C ATOM 516 C4' DC B 8 30.376 -11.561 -18.279 1.00 0.00 C ATOM 517 O4' DC B 8 31.047 -10.615 -17.434 1.00 0.00 O ATOM 518 C3' DC B 8 30.276 -10.947 -19.677 1.00 0.00 C ATOM 519 O3' DC B 8 28.955 -10.451 -19.935 1.00 0.00 O ATOM 520 C2' DC B 8 31.291 -9.815 -19.641 1.00 0.00 C ATOM 521 C1' DC B 8 31.290 -9.420 -18.174 1.00 0.00 C ATOM 522 N1 DC B 8 32.562 -8.840 -17.687 1.00 0.00 N ATOM 523 C2 DC B 8 32.504 -7.601 -17.071 1.00 0.00 C ATOM 524 O2 DC B 8 31.430 -7.017 -16.958 1.00 0.00 O ATOM 525 N3 DC B 8 33.657 -7.058 -16.600 1.00 0.00 N ATOM 526 C4 DC B 8 34.823 -7.698 -16.726 1.00 0.00 C ATOM 527 N4 DC B 8 35.928 -7.130 -16.248 1.00 0.00 N ATOM 528 C5 DC B 8 34.895 -8.976 -17.362 1.00 0.00 C ATOM 529 C6 DC B 8 33.748 -9.510 -17.826 1.00 0.00 C ATOM 0 H5' DC B 8 31.160 -13.258 -17.213 1.00 0.00 H new ATOM 0 H5'' DC B 8 30.577 -13.633 -18.822 1.00 0.00 H new ATOM 0 H4' DC B 8 29.363 -11.776 -17.940 1.00 0.00 H new ATOM 0 H3' DC B 8 30.473 -11.668 -20.470 1.00 0.00 H new ATOM 0 H2' DC B 8 32.276 -10.143 -19.972 1.00 0.00 H new ATOM 0 H2'' DC B 8 30.997 -8.986 -20.285 1.00 0.00 H new ATOM 0 HO3' DC B 8 28.921 -10.063 -20.834 1.00 0.00 H new ATOM 0 H1' DC B 8 30.534 -8.646 -18.045 1.00 0.00 H new ATOM 0 H41 DC B 8 36.826 -7.606 -16.337 1.00 0.00 H new ATOM 0 H42 DC B 8 35.877 -6.218 -15.793 1.00 0.00 H new ATOM 0 H5 DC B 8 35.836 -9.496 -17.467 1.00 0.00 H new ATOM 0 H6 DC B 8 33.764 -10.475 -18.312 1.00 0.00 H new TER 542 DC B 8