USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 127 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot 62:sc= 1.31 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.43 (180deg=-0.43) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.352 (180deg=-0.352) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.0106 (180deg=-0.68) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.806 0.422 -5.768 1.00 0.00 O ATOM 2 C5' DG A 1 -5.035 0.127 -7.137 1.00 0.00 C ATOM 3 C4' DG A 1 -5.523 -1.307 -7.421 1.00 0.00 C ATOM 4 O4' DG A 1 -4.491 -2.256 -7.170 1.00 0.00 O ATOM 5 C3' DG A 1 -6.740 -1.766 -6.602 1.00 0.00 C ATOM 6 O3' DG A 1 -7.427 -2.709 -7.417 1.00 0.00 O ATOM 7 C2' DG A 1 -6.083 -2.458 -5.423 1.00 0.00 C ATOM 8 C1' DG A 1 -4.926 -3.133 -6.136 1.00 0.00 C ATOM 9 N9 DG A 1 -3.821 -3.497 -5.236 1.00 0.00 N ATOM 10 C8 DG A 1 -3.339 -4.764 -5.016 1.00 0.00 C ATOM 11 N7 DG A 1 -2.312 -4.810 -4.212 1.00 0.00 N ATOM 12 C5 DG A 1 -2.102 -3.463 -3.873 1.00 0.00 C ATOM 13 C6 DG A 1 -1.125 -2.850 -3.020 1.00 0.00 C ATOM 14 O6 DG A 1 -0.230 -3.412 -2.388 1.00 0.00 O ATOM 15 N1 DG A 1 -1.254 -1.475 -2.939 1.00 0.00 N ATOM 16 C2 DG A 1 -2.201 -0.757 -3.596 1.00 0.00 C ATOM 17 N2 DG A 1 -2.231 0.544 -3.447 1.00 0.00 N ATOM 18 N3 DG A 1 -3.121 -1.290 -4.397 1.00 0.00 N ATOM 19 C4 DG A 1 -3.023 -2.651 -4.497 1.00 0.00 C ATOM 0 H5' DG A 1 -4.111 0.296 -7.689 1.00 0.00 H new ATOM 0 H5'' DG A 1 -5.772 0.829 -7.526 1.00 0.00 H new ATOM 0 H4' DG A 1 -5.816 -1.267 -8.470 1.00 0.00 H new ATOM 0 H3' DG A 1 -7.441 -0.991 -6.292 1.00 0.00 H new ATOM 0 H2' DG A 1 -5.751 -1.756 -4.658 1.00 0.00 H new ATOM 0 H2'' DG A 1 -6.746 -3.171 -4.934 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.104 -0.167 -5.419 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.269 -4.081 -6.550 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.771 -5.644 -5.468 1.00 0.00 H new ATOM 0 H1 DG A 1 -0.595 -0.968 -2.348 1.00 0.00 H new ATOM 0 H21 DG A 1 -2.936 1.097 -3.934 1.00 0.00 H new ATOM 0 H22 DG A 1 -1.549 1.004 -2.844 1.00 0.00 H new ATOM 32 P DG A 2 -8.925 -3.178 -7.160 1.00 0.00 P ATOM 33 OP1 DG A 2 -9.205 -4.194 -8.199 1.00 0.00 O ATOM 34 OP2 DG A 2 -9.782 -1.976 -7.118 1.00 0.00 O ATOM 35 O5' DG A 2 -8.941 -3.904 -5.734 1.00 0.00 O ATOM 36 C5' DG A 2 -8.612 -5.284 -5.616 1.00 0.00 C ATOM 37 C4' DG A 2 -8.651 -5.855 -4.186 1.00 0.00 C ATOM 38 O4' DG A 2 -7.354 -5.663 -3.626 1.00 0.00 O ATOM 39 C3' DG A 2 -9.695 -5.178 -3.271 1.00 0.00 C ATOM 40 O3' DG A 2 -10.455 -6.008 -2.378 1.00 0.00 O ATOM 41 C2' DG A 2 -8.825 -4.158 -2.553 1.00 0.00 C ATOM 42 C1' DG A 2 -7.498 -4.899 -2.443 1.00 0.00 C ATOM 43 N9 DG A 2 -6.348 -4.018 -2.167 1.00 0.00 N ATOM 44 C8 DG A 2 -6.255 -2.645 -2.184 1.00 0.00 C ATOM 45 N7 DG A 2 -5.164 -2.181 -1.648 1.00 0.00 N ATOM 46 C5 DG A 2 -4.481 -3.328 -1.244 1.00 0.00 C ATOM 47 C6 DG A 2 -3.221 -3.503 -0.588 1.00 0.00 C ATOM 48 O6 DG A 2 -2.425 -2.650 -0.219 1.00 0.00 O ATOM 49 N1 DG A 2 -2.894 -4.824 -0.357 1.00 0.00 N ATOM 50 C2 DG A 2 -3.683 -5.862 -0.713 1.00 0.00 C ATOM 51 N2 DG A 2 -3.281 -7.074 -0.448 1.00 0.00 N ATOM 52 N3 DG A 2 -4.854 -5.756 -1.320 1.00 0.00 N ATOM 53 C4 DG A 2 -5.200 -4.455 -1.560 1.00 0.00 C ATOM 0 H5' DG A 2 -7.612 -5.437 -6.023 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.300 -5.858 -6.237 1.00 0.00 H new ATOM 0 H4' DG A 2 -8.939 -6.904 -4.249 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.527 -4.778 -3.851 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.730 -3.232 -3.119 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.228 -3.894 -1.575 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.511 -5.556 -1.573 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.020 -2.009 -2.605 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.009 -5.028 0.107 1.00 0.00 H new ATOM 0 H21 DG A 2 -3.861 -7.872 -0.708 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.387 -7.224 0.019 1.00 0.00 H new ATOM 65 P DT A 3 -9.880 -6.949 -1.195 1.00 0.00 P ATOM 66 OP1 DT A 3 -8.803 -7.802 -1.731 1.00 0.00 O ATOM 67 OP2 DT A 3 -11.047 -7.602 -0.562 1.00 0.00 O ATOM 68 O5' DT A 3 -9.204 -5.989 -0.096 1.00 0.00 O ATOM 69 C5' DT A 3 -9.949 -5.096 0.722 1.00 0.00 C ATOM 70 C4' DT A 3 -9.099 -4.369 1.791 1.00 0.00 C ATOM 71 O4' DT A 3 -8.764 -5.306 2.813 1.00 0.00 O ATOM 72 C3' DT A 3 -7.772 -3.707 1.378 1.00 0.00 C ATOM 73 O3' DT A 3 -7.437 -2.668 2.297 1.00 0.00 O ATOM 74 C2' DT A 3 -6.767 -4.823 1.547 1.00 0.00 C ATOM 75 C1' DT A 3 -7.349 -5.498 2.791 1.00 0.00 C ATOM 76 N1 DT A 3 -6.926 -6.923 2.867 1.00 0.00 N ATOM 77 C2 DT A 3 -6.226 -7.308 4.014 1.00 0.00 C ATOM 78 O2 DT A 3 -6.178 -6.637 5.042 1.00 0.00 O ATOM 79 N3 DT A 3 -5.544 -8.498 3.958 1.00 0.00 N ATOM 80 C4 DT A 3 -5.506 -9.352 2.881 1.00 0.00 C ATOM 81 O4 DT A 3 -4.807 -10.359 2.971 1.00 0.00 O ATOM 82 C5 DT A 3 -6.333 -8.942 1.740 1.00 0.00 C ATOM 83 C7 DT A 3 -6.426 -9.822 0.506 1.00 0.00 C ATOM 84 C6 DT A 3 -7.007 -7.758 1.767 1.00 0.00 C ATOM 0 H5' DT A 3 -10.744 -5.652 1.220 1.00 0.00 H new ATOM 0 H5'' DT A 3 -10.430 -4.352 0.087 1.00 0.00 H new ATOM 0 H4' DT A 3 -9.749 -3.542 2.079 1.00 0.00 H new ATOM 0 H3' DT A 3 -7.809 -3.277 0.377 1.00 0.00 H new ATOM 0 H2' DT A 3 -6.732 -5.490 0.686 1.00 0.00 H new ATOM 0 H2'' DT A 3 -5.754 -4.454 1.705 1.00 0.00 H new ATOM 0 H1' DT A 3 -6.954 -5.035 3.695 1.00 0.00 H new ATOM 0 H3 DT A 3 -5.019 -8.773 4.788 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.400 -9.688 0.036 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.642 -9.545 -0.199 1.00 0.00 H new ATOM 0 H73 DT A 3 -6.303 -10.866 0.794 1.00 0.00 H new ATOM 0 H6 DT A 3 -7.611 -7.468 0.920 1.00 0.00 H new ATOM 97 P DT A 4 -6.418 -1.511 1.880 1.00 0.00 P ATOM 98 OP1 DT A 4 -7.088 -0.772 0.795 1.00 0.00 O ATOM 99 OP2 DT A 4 -5.088 -2.123 1.668 1.00 0.00 O ATOM 100 O5' DT A 4 -6.291 -0.569 3.176 1.00 0.00 O ATOM 101 C5' DT A 4 -5.370 0.520 3.178 1.00 0.00 C ATOM 102 C4' DT A 4 -5.876 1.824 3.812 1.00 0.00 C ATOM 103 O4' DT A 4 -7.186 2.056 3.298 1.00 0.00 O ATOM 104 C3' DT A 4 -5.957 1.805 5.344 1.00 0.00 C ATOM 105 O3' DT A 4 -5.475 2.960 6.047 1.00 0.00 O ATOM 106 C2' DT A 4 -7.403 1.437 5.618 1.00 0.00 C ATOM 107 C1' DT A 4 -8.135 1.893 4.343 1.00 0.00 C ATOM 108 N1 DT A 4 -9.324 1.038 4.010 1.00 0.00 N ATOM 109 C2 DT A 4 -10.548 1.695 3.802 1.00 0.00 C ATOM 110 O2 DT A 4 -10.670 2.901 3.596 1.00 0.00 O ATOM 111 N3 DT A 4 -11.692 0.934 3.870 1.00 0.00 N ATOM 112 C4 DT A 4 -11.751 -0.411 4.134 1.00 0.00 C ATOM 113 O4 DT A 4 -12.859 -0.945 4.206 1.00 0.00 O ATOM 114 C5 DT A 4 -10.453 -1.060 4.282 1.00 0.00 C ATOM 115 C7 DT A 4 -10.380 -2.550 4.568 1.00 0.00 C ATOM 116 C6 DT A 4 -9.305 -0.338 4.184 1.00 0.00 C ATOM 0 H5' DT A 4 -5.080 0.728 2.148 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.469 0.208 3.706 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.159 2.605 3.560 1.00 0.00 H new ATOM 0 H3' DT A 4 -5.249 1.085 5.755 1.00 0.00 H new ATOM 0 H2' DT A 4 -7.520 0.367 5.787 1.00 0.00 H new ATOM 0 H2'' DT A 4 -7.786 1.944 6.504 1.00 0.00 H new ATOM 0 H1' DT A 4 -8.592 2.868 4.510 1.00 0.00 H new ATOM 0 H3 DT A 4 -12.578 1.414 3.709 1.00 0.00 H new ATOM 0 H71 DT A 4 -9.465 -2.958 4.140 1.00 0.00 H new ATOM 0 H72 DT A 4 -10.381 -2.714 5.646 1.00 0.00 H new ATOM 0 H73 DT A 4 -11.242 -3.048 4.124 1.00 0.00 H new ATOM 0 H6 DT A 4 -8.355 -0.848 4.243 1.00 0.00 H new ATOM 129 P DG A 5 -6.093 4.458 6.098 1.00 0.00 P ATOM 130 OP1 DG A 5 -5.687 5.032 7.401 1.00 0.00 O ATOM 131 OP2 DG A 5 -7.537 4.486 5.791 1.00 0.00 O ATOM 132 O5' DG A 5 -5.369 5.361 4.979 1.00 0.00 O ATOM 133 C5' DG A 5 -5.779 5.421 3.612 1.00 0.00 C ATOM 134 C4' DG A 5 -4.703 6.135 2.787 1.00 0.00 C ATOM 135 O4' DG A 5 -3.535 5.332 2.799 1.00 0.00 O ATOM 136 C3' DG A 5 -5.062 6.394 1.312 1.00 0.00 C ATOM 137 O3' DG A 5 -4.673 7.742 1.049 1.00 0.00 O ATOM 138 C2' DG A 5 -4.261 5.312 0.591 1.00 0.00 C ATOM 139 C1' DG A 5 -3.035 5.139 1.486 1.00 0.00 C ATOM 140 N9 DG A 5 -2.340 3.819 1.502 1.00 0.00 N ATOM 141 C8 DG A 5 -1.293 3.556 2.344 1.00 0.00 C ATOM 142 N7 DG A 5 -0.992 2.297 2.498 1.00 0.00 N ATOM 143 C5 DG A 5 -1.925 1.650 1.680 1.00 0.00 C ATOM 144 C6 DG A 5 -2.119 0.248 1.414 1.00 0.00 C ATOM 145 O6 DG A 5 -1.475 -0.704 1.877 1.00 0.00 O ATOM 146 N1 DG A 5 -3.159 0.002 0.533 1.00 0.00 N ATOM 147 C2 DG A 5 -3.917 0.977 -0.019 1.00 0.00 C ATOM 148 N2 DG A 5 -4.866 0.624 -0.831 1.00 0.00 N ATOM 149 N3 DG A 5 -3.770 2.276 0.203 1.00 0.00 N ATOM 150 C4 DG A 5 -2.753 2.569 1.066 1.00 0.00 C ATOM 0 H5' DG A 5 -6.728 5.951 3.529 1.00 0.00 H new ATOM 0 H5'' DG A 5 -5.941 4.415 3.225 1.00 0.00 H new ATOM 0 H4' DG A 5 -4.577 7.113 3.252 1.00 0.00 H new ATOM 0 H3' DG A 5 -6.106 6.325 1.007 1.00 0.00 H new ATOM 0 H2' DG A 5 -4.827 4.385 0.498 1.00 0.00 H new ATOM 0 H2'' DG A 5 -3.984 5.619 -0.418 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.284 5.831 1.104 1.00 0.00 H new ATOM 0 H8 DG A 5 -0.751 4.342 2.849 1.00 0.00 H new ATOM 0 H1 DG A 5 -3.364 -0.966 0.287 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.456 1.334 -1.265 1.00 0.00 H new ATOM 0 H22 DG A 5 -5.021 -0.363 -1.035 1.00 0.00 H new ATOM 162 P DG A 6 -4.609 8.415 -0.401 1.00 0.00 P ATOM 163 OP1 DG A 6 -4.819 9.864 -0.180 1.00 0.00 O ATOM 164 OP2 DG A 6 -5.493 7.681 -1.333 1.00 0.00 O ATOM 165 O5' DG A 6 -3.067 8.182 -0.750 1.00 0.00 O ATOM 166 C5' DG A 6 -2.065 8.843 0.021 1.00 0.00 C ATOM 167 C4' DG A 6 -0.636 8.438 -0.336 1.00 0.00 C ATOM 168 O4' DG A 6 -0.456 7.053 -0.069 1.00 0.00 O ATOM 169 C3' DG A 6 -0.306 8.712 -1.817 1.00 0.00 C ATOM 170 O3' DG A 6 0.788 9.564 -2.176 1.00 0.00 O ATOM 171 C2' DG A 6 -0.198 7.313 -2.406 1.00 0.00 C ATOM 172 C1' DG A 6 0.116 6.421 -1.197 1.00 0.00 C ATOM 173 N9 DG A 6 -0.371 5.019 -1.315 1.00 0.00 N ATOM 174 C8 DG A 6 -1.366 4.488 -2.112 1.00 0.00 C ATOM 175 N7 DG A 6 -1.415 3.181 -2.135 1.00 0.00 N ATOM 176 C5 DG A 6 -0.367 2.821 -1.286 1.00 0.00 C ATOM 177 C6 DG A 6 0.114 1.535 -0.888 1.00 0.00 C ATOM 178 O6 DG A 6 -0.302 0.434 -1.211 1.00 0.00 O ATOM 179 N1 DG A 6 1.183 1.579 -0.032 1.00 0.00 N ATOM 180 C2 DG A 6 1.749 2.720 0.412 1.00 0.00 C ATOM 181 N2 DG A 6 2.764 2.606 1.225 1.00 0.00 N ATOM 182 N3 DG A 6 1.342 3.940 0.076 1.00 0.00 N ATOM 183 C4 DG A 6 0.275 3.928 -0.781 1.00 0.00 C ATOM 0 H5' DG A 6 -2.237 8.634 1.077 1.00 0.00 H new ATOM 0 H5'' DG A 6 -2.170 9.920 -0.112 1.00 0.00 H new ATOM 0 H4' DG A 6 0.038 9.039 0.274 1.00 0.00 H new ATOM 0 H3' DG A 6 -1.092 9.348 -2.226 1.00 0.00 H new ATOM 0 H2' DG A 6 -1.126 7.013 -2.893 1.00 0.00 H new ATOM 0 H2'' DG A 6 0.589 7.257 -3.158 1.00 0.00 H new ATOM 0 H1' DG A 6 1.198 6.321 -1.117 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.052 5.105 -2.674 1.00 0.00 H new ATOM 0 H1 DG A 6 1.575 0.694 0.289 1.00 0.00 H new ATOM 0 H21 DG A 6 3.224 3.441 1.587 1.00 0.00 H new ATOM 0 H22 DG A 6 3.097 1.681 1.499 1.00 0.00 H new ATOM 195 P DT A 7 2.212 9.668 -1.454 1.00 0.00 P ATOM 196 OP1 DT A 7 2.021 10.158 -0.071 1.00 0.00 O ATOM 197 OP2 DT A 7 3.072 10.473 -2.349 1.00 0.00 O ATOM 198 O5' DT A 7 2.837 8.197 -1.421 1.00 0.00 O ATOM 199 C5' DT A 7 3.666 7.779 -0.345 1.00 0.00 C ATOM 200 C4' DT A 7 4.620 6.642 -0.739 1.00 0.00 C ATOM 201 O4' DT A 7 3.911 5.415 -0.878 1.00 0.00 O ATOM 202 C3' DT A 7 5.370 6.915 -2.065 1.00 0.00 C ATOM 203 O3' DT A 7 6.801 6.864 -2.090 1.00 0.00 O ATOM 204 C2' DT A 7 4.750 5.904 -3.012 1.00 0.00 C ATOM 205 C1' DT A 7 4.339 4.775 -2.063 1.00 0.00 C ATOM 206 N1 DT A 7 3.335 3.828 -2.625 1.00 0.00 N ATOM 207 C2 DT A 7 3.559 2.459 -2.430 1.00 0.00 C ATOM 208 O2 DT A 7 4.431 2.000 -1.703 1.00 0.00 O ATOM 209 N3 DT A 7 2.732 1.595 -3.103 1.00 0.00 N ATOM 210 C4 DT A 7 1.730 1.949 -3.974 1.00 0.00 C ATOM 211 O4 DT A 7 1.131 1.053 -4.559 1.00 0.00 O ATOM 212 C5 DT A 7 1.493 3.391 -4.081 1.00 0.00 C ATOM 213 C7 DT A 7 0.343 3.923 -4.920 1.00 0.00 C ATOM 214 C6 DT A 7 2.271 4.267 -3.388 1.00 0.00 C ATOM 0 H5' DT A 7 3.040 7.451 0.485 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.248 8.629 0.011 1.00 0.00 H new ATOM 0 H4' DT A 7 5.352 6.578 0.066 1.00 0.00 H new ATOM 0 H3' DT A 7 5.243 7.966 -2.323 1.00 0.00 H new ATOM 0 H2' DT A 7 3.894 6.318 -3.545 1.00 0.00 H new ATOM 0 H2'' DT A 7 5.461 5.563 -3.765 1.00 0.00 H new ATOM 0 H1' DT A 7 5.184 4.113 -1.874 1.00 0.00 H new ATOM 0 H3 DT A 7 2.874 0.598 -2.942 1.00 0.00 H new ATOM 0 H71 DT A 7 -0.012 4.863 -4.497 1.00 0.00 H new ATOM 0 H72 DT A 7 0.685 4.091 -5.941 1.00 0.00 H new ATOM 0 H73 DT A 7 -0.470 3.197 -4.924 1.00 0.00 H new ATOM 0 H6 DT A 7 2.052 5.324 -3.436 1.00 0.00 H new ATOM 227 P DG A 8 7.736 5.663 -1.547 1.00 0.00 P ATOM 228 OP1 DG A 8 7.347 5.346 -0.162 1.00 0.00 O ATOM 229 OP2 DG A 8 9.122 6.101 -1.799 1.00 0.00 O ATOM 230 O5' DG A 8 7.488 4.380 -2.482 1.00 0.00 O ATOM 231 C5' DG A 8 7.820 3.076 -1.998 1.00 0.00 C ATOM 232 C4' DG A 8 8.173 2.030 -3.072 1.00 0.00 C ATOM 233 O4' DG A 8 7.022 1.440 -3.673 1.00 0.00 O ATOM 234 C3' DG A 8 9.108 2.556 -4.170 1.00 0.00 C ATOM 235 O3' DG A 8 10.375 1.887 -4.192 1.00 0.00 O ATOM 236 C2' DG A 8 8.211 2.556 -5.403 1.00 0.00 C ATOM 237 C1' DG A 8 7.067 1.568 -5.087 1.00 0.00 C ATOM 238 N9 DG A 8 5.756 2.073 -5.593 1.00 0.00 N ATOM 239 C8 DG A 8 5.366 3.388 -5.666 1.00 0.00 C ATOM 240 N7 DG A 8 4.269 3.615 -6.329 1.00 0.00 N ATOM 241 C5 DG A 8 3.826 2.321 -6.632 1.00 0.00 C ATOM 242 C6 DG A 8 2.624 1.882 -7.287 1.00 0.00 C ATOM 243 O6 DG A 8 1.761 2.551 -7.865 1.00 0.00 O ATOM 244 N1 DG A 8 2.426 0.523 -7.216 1.00 0.00 N ATOM 245 C2 DG A 8 3.335 -0.340 -6.695 1.00 0.00 C ATOM 246 N2 DG A 8 3.031 -1.614 -6.732 1.00 0.00 N ATOM 247 N3 DG A 8 4.514 0.003 -6.177 1.00 0.00 N ATOM 248 C4 DG A 8 4.694 1.364 -6.134 1.00 0.00 C ATOM 0 H5' DG A 8 6.979 2.701 -1.415 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.665 3.167 -1.315 1.00 0.00 H new ATOM 0 H4' DG A 8 8.712 1.262 -2.517 1.00 0.00 H new ATOM 0 H3' DG A 8 9.498 3.565 -4.035 1.00 0.00 H new ATOM 0 H2' DG A 8 7.822 3.554 -5.604 1.00 0.00 H new ATOM 0 H2'' DG A 8 8.764 2.245 -6.289 1.00 0.00 H new ATOM 0 H1' DG A 8 7.249 0.610 -5.575 1.00 0.00 H new ATOM 0 H8 DG A 8 5.933 4.182 -5.203 1.00 0.00 H new ATOM 0 H1 DG A 8 1.550 0.143 -7.574 1.00 0.00 H new ATOM 0 H21 DG A 8 3.680 -2.304 -6.354 1.00 0.00 H new ATOM 0 H22 DG A 8 2.146 -1.915 -7.139 1.00 0.00 H new ATOM 260 P DT A 9 10.852 0.696 -5.156 1.00 0.00 P ATOM 261 OP1 DT A 9 12.139 0.239 -4.583 1.00 0.00 O ATOM 262 OP2 DT A 9 10.856 1.177 -6.547 1.00 0.00 O ATOM 263 O5' DT A 9 9.816 -0.507 -5.022 1.00 0.00 O ATOM 264 C5' DT A 9 9.709 -1.248 -3.817 1.00 0.00 C ATOM 265 C4' DT A 9 8.890 -2.541 -3.919 1.00 0.00 C ATOM 266 O4' DT A 9 7.792 -2.310 -4.787 1.00 0.00 O ATOM 267 C3' DT A 9 9.647 -3.756 -4.487 1.00 0.00 C ATOM 268 O3' DT A 9 9.196 -4.960 -3.871 1.00 0.00 O ATOM 269 C2' DT A 9 9.202 -3.762 -5.947 1.00 0.00 C ATOM 270 C1' DT A 9 7.769 -3.251 -5.839 1.00 0.00 C ATOM 271 N1 DT A 9 7.248 -2.561 -7.048 1.00 0.00 N ATOM 272 C2 DT A 9 6.014 -2.965 -7.577 1.00 0.00 C ATOM 273 O2 DT A 9 5.348 -3.909 -7.151 1.00 0.00 O ATOM 274 N3 DT A 9 5.499 -2.209 -8.602 1.00 0.00 N ATOM 275 C4 DT A 9 6.001 -1.006 -9.038 1.00 0.00 C ATOM 276 O4 DT A 9 5.350 -0.376 -9.866 1.00 0.00 O ATOM 277 C5 DT A 9 7.271 -0.617 -8.427 1.00 0.00 C ATOM 278 C7 DT A 9 7.943 0.690 -8.791 1.00 0.00 C ATOM 279 C6 DT A 9 7.859 -1.409 -7.496 1.00 0.00 C ATOM 0 H5' DT A 9 9.260 -0.611 -3.055 1.00 0.00 H new ATOM 0 H5'' DT A 9 10.712 -1.498 -3.472 1.00 0.00 H new ATOM 0 H4' DT A 9 8.608 -2.784 -2.894 1.00 0.00 H new ATOM 0 H3' DT A 9 10.725 -3.698 -4.334 1.00 0.00 H new ATOM 0 H2' DT A 9 9.822 -3.113 -6.566 1.00 0.00 H new ATOM 0 H2'' DT A 9 9.249 -4.759 -6.384 1.00 0.00 H new ATOM 0 H1' DT A 9 7.115 -4.110 -5.689 1.00 0.00 H new ATOM 0 H3 DT A 9 4.674 -2.571 -9.080 1.00 0.00 H new ATOM 0 H71 DT A 9 7.695 0.953 -9.819 1.00 0.00 H new ATOM 0 H72 DT A 9 7.596 1.477 -8.121 1.00 0.00 H new ATOM 0 H73 DT A 9 9.023 0.583 -8.695 1.00 0.00 H new ATOM 0 H6 DT A 9 8.824 -1.132 -7.098 1.00 0.00 H new ATOM 292 P DG A 10 9.802 -5.513 -2.489 1.00 0.00 P ATOM 293 OP1 DG A 10 11.225 -5.860 -2.698 1.00 0.00 O ATOM 294 OP2 DG A 10 8.891 -6.607 -2.083 1.00 0.00 O ATOM 295 O5' DG A 10 9.662 -4.376 -1.385 1.00 0.00 O ATOM 296 C5' DG A 10 10.690 -3.432 -1.126 1.00 0.00 C ATOM 297 C4' DG A 10 10.277 -2.457 -0.013 1.00 0.00 C ATOM 298 O4' DG A 10 9.219 -1.548 -0.346 1.00 0.00 O ATOM 299 C3' DG A 10 9.861 -3.209 1.259 1.00 0.00 C ATOM 300 O3' DG A 10 10.553 -2.703 2.390 1.00 0.00 O ATOM 301 C2' DG A 10 8.362 -2.946 1.318 1.00 0.00 C ATOM 302 C1' DG A 10 8.324 -1.536 0.758 1.00 0.00 C ATOM 303 N9 DG A 10 6.944 -1.021 0.578 1.00 0.00 N ATOM 304 C8 DG A 10 6.184 -0.453 1.574 1.00 0.00 C ATOM 305 N7 DG A 10 4.920 -0.312 1.296 1.00 0.00 N ATOM 306 C5 DG A 10 4.827 -0.832 0.002 1.00 0.00 C ATOM 307 C6 DG A 10 3.701 -0.969 -0.876 1.00 0.00 C ATOM 308 O6 DG A 10 2.531 -0.662 -0.700 1.00 0.00 O ATOM 309 N1 DG A 10 3.999 -1.533 -2.090 1.00 0.00 N ATOM 310 C2 DG A 10 5.235 -1.924 -2.434 1.00 0.00 C ATOM 311 N2 DG A 10 5.324 -2.435 -3.624 1.00 0.00 N ATOM 312 N3 DG A 10 6.320 -1.830 -1.675 1.00 0.00 N ATOM 313 C4 DG A 10 6.057 -1.269 -0.452 1.00 0.00 C ATOM 0 H5' DG A 10 10.915 -2.876 -2.036 1.00 0.00 H new ATOM 0 H5'' DG A 10 11.603 -3.953 -0.837 1.00 0.00 H new ATOM 0 H4' DG A 10 11.176 -1.861 0.143 1.00 0.00 H new ATOM 0 H3' DG A 10 10.097 -4.273 1.252 1.00 0.00 H new ATOM 0 H2' DG A 10 7.790 -3.651 0.714 1.00 0.00 H new ATOM 0 H2'' DG A 10 7.968 -3.003 2.333 1.00 0.00 H new ATOM 0 H1' DG A 10 8.681 -0.769 1.445 1.00 0.00 H new ATOM 0 H8 DG A 10 6.606 -0.146 2.520 1.00 0.00 H new ATOM 0 H1 DG A 10 3.244 -1.661 -2.764 1.00 0.00 H new ATOM 0 H21 DG A 10 6.225 -2.761 -3.973 1.00 0.00 H new ATOM 0 H22 DG A 10 4.493 -2.511 -4.210 1.00 0.00 H new ATOM 325 P DG A 11 10.518 -3.457 3.795 1.00 0.00 P ATOM 326 OP1 DG A 11 11.707 -3.042 4.569 1.00 0.00 O ATOM 327 OP2 DG A 11 10.329 -4.904 3.544 1.00 0.00 O ATOM 328 O5' DG A 11 9.206 -2.913 4.525 1.00 0.00 O ATOM 329 C5' DG A 11 9.149 -1.601 5.066 1.00 0.00 C ATOM 330 C4' DG A 11 7.788 -1.252 5.687 1.00 0.00 C ATOM 331 O4' DG A 11 6.745 -1.176 4.725 1.00 0.00 O ATOM 332 C3' DG A 11 7.295 -2.258 6.729 1.00 0.00 C ATOM 333 O3' DG A 11 7.888 -2.089 8.009 1.00 0.00 O ATOM 334 C2' DG A 11 5.812 -1.910 6.787 1.00 0.00 C ATOM 335 C1' DG A 11 5.499 -1.360 5.385 1.00 0.00 C ATOM 336 N9 DG A 11 4.625 -2.283 4.613 1.00 0.00 N ATOM 337 C8 DG A 11 4.779 -3.637 4.414 1.00 0.00 C ATOM 338 N7 DG A 11 3.775 -4.212 3.803 1.00 0.00 N ATOM 339 C5 DG A 11 2.880 -3.153 3.576 1.00 0.00 C ATOM 340 C6 DG A 11 1.586 -3.121 2.944 1.00 0.00 C ATOM 341 O6 DG A 11 0.948 -4.045 2.446 1.00 0.00 O ATOM 342 N1 DG A 11 1.010 -1.865 2.912 1.00 0.00 N ATOM 343 C2 DG A 11 1.604 -0.767 3.427 1.00 0.00 C ATOM 344 N2 DG A 11 0.942 0.348 3.324 1.00 0.00 N ATOM 345 N3 DG A 11 2.797 -0.734 4.025 1.00 0.00 N ATOM 346 C4 DG A 11 3.393 -1.970 4.069 1.00 0.00 C ATOM 0 H5' DG A 11 9.375 -0.882 4.279 1.00 0.00 H new ATOM 0 H5'' DG A 11 9.924 -1.496 5.826 1.00 0.00 H new ATOM 0 H4' DG A 11 7.986 -0.286 6.152 1.00 0.00 H new ATOM 0 H3' DG A 11 7.534 -3.288 6.465 1.00 0.00 H new ATOM 0 H2' DG A 11 5.206 -2.787 7.016 1.00 0.00 H new ATOM 0 H2'' DG A 11 5.606 -1.170 7.560 1.00 0.00 H new ATOM 0 HO3' DG A 11 7.530 -2.760 8.627 1.00 0.00 H new ATOM 0 H1' DG A 11 4.954 -0.420 5.465 1.00 0.00 H new ATOM 0 H8 DG A 11 5.656 -4.179 4.736 1.00 0.00 H new ATOM 0 H1 DG A 11 0.092 -1.763 2.479 1.00 0.00 H new ATOM 0 H21 DG A 11 1.338 1.212 3.694 1.00 0.00 H new ATOM 0 H22 DG A 11 0.027 0.358 2.873 1.00 0.00 H new TER 359 DG A 11