USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 187 hydrogens (15 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 Set 1.1: A 12 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.193 (180deg=-1.76) USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.582 (180deg=-1.36) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.0137 (180deg=-0.0137) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 P DG A 1 10.024 4.648 -6.825 1.00 8.00 P ATOM 2 OP1 DG A 1 11.474 4.385 -6.930 1.00 8.00 O ATOM 3 OP2 DG A 1 9.289 5.259 -7.951 1.00 8.00 O ATOM 4 O5' DG A 1 9.284 3.268 -6.448 1.00 8.00 O ATOM 5 C5' DG A 1 9.813 2.353 -5.502 1.00 8.00 C ATOM 6 C4' DG A 1 9.755 2.907 -4.078 1.00 8.00 C ATOM 7 O4' DG A 1 8.433 3.270 -3.698 1.00 8.00 O ATOM 8 C3' DG A 1 10.224 1.867 -3.053 1.00 8.00 C ATOM 9 O3' DG A 1 11.308 2.402 -2.311 1.00 8.00 O ATOM 10 C2' DG A 1 9.004 1.734 -2.154 1.00 8.00 C ATOM 11 C1' DG A 1 8.410 3.121 -2.301 1.00 8.00 C ATOM 12 N9 DG A 1 7.095 3.240 -1.643 1.00 8.00 N ATOM 13 C8 DG A 1 6.854 3.755 -0.390 1.00 8.00 C ATOM 14 N7 DG A 1 5.598 3.843 -0.043 1.00 8.00 N ATOM 15 C5 DG A 1 4.985 3.239 -1.146 1.00 8.00 C ATOM 16 C6 DG A 1 3.590 2.940 -1.343 1.00 8.00 C ATOM 17 O6 DG A 1 2.649 3.197 -0.593 1.00 8.00 O ATOM 18 N1 DG A 1 3.318 2.252 -2.520 1.00 8.00 N ATOM 19 C2 DG A 1 4.281 1.858 -3.398 1.00 8.00 C ATOM 20 N2 DG A 1 3.905 1.143 -4.442 1.00 8.00 N ATOM 21 N3 DG A 1 5.581 2.122 -3.251 1.00 8.00 N ATOM 22 C4 DG A 1 5.872 2.820 -2.106 1.00 8.00 C ATOM 0 H5' DG A 1 10.847 2.122 -5.760 1.00 8.00 H new ATOM 0 H5'' DG A 1 9.255 1.418 -5.551 1.00 8.00 H new ATOM 0 H4' DG A 1 10.407 3.781 -4.083 1.00 8.00 H new ATOM 0 H3' DG A 1 10.558 0.925 -3.487 1.00 8.00 H new ATOM 0 H2' DG A 1 8.323 0.952 -2.490 1.00 8.00 H new ATOM 0 H2'' DG A 1 9.271 1.503 -1.123 1.00 8.00 H new ATOM 0 H1' DG A 1 8.945 3.928 -1.801 1.00 8.00 H new ATOM 0 H8 DG A 1 7.654 4.067 0.266 1.00 8.00 H new ATOM 0 H1 DG A 1 2.346 2.031 -2.737 1.00 8.00 H new ATOM 0 H21 DG A 1 4.598 0.829 -5.122 1.00 8.00 H new ATOM 0 H22 DG A 1 2.922 0.904 -4.569 1.00 8.00 H new ATOM 34 P DG A 2 12.296 1.475 -1.430 1.00 8.00 P ATOM 35 OP1 DG A 2 13.459 2.310 -1.067 1.00 8.00 O ATOM 36 OP2 DG A 2 12.484 0.207 -2.162 1.00 8.00 O ATOM 37 O5' DG A 2 11.468 1.156 -0.081 1.00 8.00 O ATOM 38 C5' DG A 2 11.266 2.150 0.906 1.00 8.00 C ATOM 39 C4' DG A 2 10.502 1.645 2.133 1.00 8.00 C ATOM 40 O4' DG A 2 9.098 1.755 1.956 1.00 8.00 O ATOM 41 C3' DG A 2 10.821 0.196 2.492 1.00 8.00 C ATOM 42 O3' DG A 2 10.905 0.152 3.906 1.00 8.00 O ATOM 43 C2' DG A 2 9.602 -0.571 1.997 1.00 8.00 C ATOM 44 C1' DG A 2 8.509 0.487 2.190 1.00 8.00 C ATOM 45 N9 DG A 2 7.296 0.414 1.362 1.00 8.00 N ATOM 46 C8 DG A 2 7.133 -0.120 0.116 1.00 8.00 C ATOM 47 N7 DG A 2 5.905 -0.166 -0.323 1.00 8.00 N ATOM 48 C5 DG A 2 5.214 0.414 0.740 1.00 8.00 C ATOM 49 C6 DG A 2 3.790 0.538 0.935 1.00 8.00 C ATOM 50 O6 DG A 2 2.881 0.187 0.179 1.00 8.00 O ATOM 51 N1 DG A 2 3.441 1.073 2.170 1.00 8.00 N ATOM 52 C2 DG A 2 4.344 1.429 3.126 1.00 8.00 C ATOM 53 N2 DG A 2 3.856 1.898 4.265 1.00 8.00 N ATOM 54 N3 DG A 2 5.670 1.324 2.977 1.00 8.00 N ATOM 55 C4 DG A 2 6.039 0.794 1.765 1.00 8.00 C ATOM 0 H5' DG A 2 10.719 2.983 0.465 1.00 8.00 H new ATOM 0 H5'' DG A 2 12.234 2.537 1.224 1.00 8.00 H new ATOM 0 H4' DG A 2 10.834 2.286 2.950 1.00 8.00 H new ATOM 0 H3' DG A 2 11.741 -0.206 2.068 1.00 8.00 H new ATOM 0 H2' DG A 2 9.701 -0.880 0.956 1.00 8.00 H new ATOM 0 H2'' DG A 2 9.414 -1.472 2.580 1.00 8.00 H new ATOM 0 H1' DG A 2 8.149 0.303 3.202 1.00 8.00 H new ATOM 0 H8 DG A 2 7.966 -0.481 -0.468 1.00 8.00 H new ATOM 0 H1 DG A 2 2.450 1.207 2.372 1.00 8.00 H new ATOM 0 H21 DG A 2 4.489 2.179 5.014 1.00 8.00 H new ATOM 0 H22 DG A 2 2.847 1.978 4.393 1.00 8.00 H new ATOM 67 P DT A 3 11.977 -0.774 4.664 1.00 8.00 P ATOM 68 OP1 DT A 3 11.911 -0.452 6.105 1.00 8.00 O ATOM 69 OP2 DT A 3 13.263 -0.693 3.943 1.00 8.00 O ATOM 70 O5' DT A 3 11.340 -2.225 4.439 1.00 8.00 O ATOM 71 C5' DT A 3 12.064 -3.409 4.717 1.00 8.00 C ATOM 72 C4' DT A 3 11.218 -4.622 4.350 1.00 8.00 C ATOM 73 O4' DT A 3 10.065 -4.677 5.156 1.00 8.00 O ATOM 74 C3' DT A 3 10.692 -4.581 2.918 1.00 8.00 C ATOM 75 O3' DT A 3 11.473 -5.261 1.966 1.00 8.00 O ATOM 76 C2' DT A 3 9.363 -5.297 3.049 1.00 8.00 C ATOM 77 C1' DT A 3 9.190 -5.587 4.536 1.00 8.00 C ATOM 78 N1 DT A 3 7.797 -5.455 5.010 1.00 8.00 N ATOM 79 C2 DT A 3 7.564 -5.288 6.382 1.00 8.00 C ATOM 80 O2 DT A 3 8.420 -5.321 7.258 1.00 8.00 O ATOM 81 N3 DT A 3 6.252 -5.141 6.769 1.00 8.00 N ATOM 82 C4 DT A 3 5.153 -5.293 5.957 1.00 8.00 C ATOM 83 O4 DT A 3 4.037 -5.172 6.444 1.00 8.00 O ATOM 84 C5 DT A 3 5.472 -5.622 4.576 1.00 8.00 C ATOM 85 C7 DT A 3 4.378 -5.938 3.595 1.00 8.00 C ATOM 86 C6 DT A 3 6.751 -5.685 4.144 1.00 8.00 C ATOM 0 H5' DT A 3 12.331 -3.445 5.773 1.00 8.00 H new ATOM 0 H5'' DT A 3 12.996 -3.419 4.152 1.00 8.00 H new ATOM 0 H4' DT A 3 11.881 -5.476 4.486 1.00 8.00 H new ATOM 0 H3' DT A 3 10.668 -3.554 2.554 1.00 8.00 H new ATOM 0 H2' DT A 3 8.547 -4.679 2.674 1.00 8.00 H new ATOM 0 H2'' DT A 3 9.357 -6.219 2.468 1.00 8.00 H new ATOM 0 H1' DT A 3 9.422 -6.625 4.775 1.00 8.00 H new ATOM 0 H3 DT A 3 6.079 -4.898 7.744 1.00 8.00 H new ATOM 0 H71 DT A 3 4.690 -5.641 2.594 1.00 8.00 H new ATOM 0 H72 DT A 3 4.175 -7.009 3.609 1.00 8.00 H new ATOM 0 H73 DT A 3 3.474 -5.394 3.870 1.00 8.00 H new ATOM 0 H6 DT A 3 6.955 -5.918 3.109 1.00 8.00 H new ATOM 99 P DT A 4 11.398 -4.827 0.413 1.00 8.00 P ATOM 100 OP1 DT A 4 12.164 -5.826 -0.358 1.00 8.00 O ATOM 101 OP2 DT A 4 11.732 -3.393 0.331 1.00 8.00 O ATOM 102 O5' DT A 4 9.838 -4.960 0.013 1.00 8.00 O ATOM 103 C5' DT A 4 9.254 -6.204 -0.321 1.00 8.00 C ATOM 104 C4' DT A 4 7.786 -6.019 -0.700 1.00 8.00 C ATOM 105 O4' DT A 4 6.999 -5.488 0.344 1.00 8.00 O ATOM 106 C3' DT A 4 7.598 -5.143 -1.953 1.00 8.00 C ATOM 107 O3' DT A 4 6.663 -5.693 -2.869 1.00 8.00 O ATOM 108 C2' DT A 4 6.948 -3.934 -1.316 1.00 8.00 C ATOM 109 C1' DT A 4 6.066 -4.655 -0.313 1.00 8.00 C ATOM 110 N1 DT A 4 5.430 -3.743 0.641 1.00 8.00 N ATOM 111 C2 DT A 4 4.049 -3.575 0.624 1.00 8.00 C ATOM 112 O2 DT A 4 3.311 -4.045 -0.235 1.00 8.00 O ATOM 113 N3 DT A 4 3.511 -2.859 1.670 1.00 8.00 N ATOM 114 C4 DT A 4 4.219 -2.368 2.749 1.00 8.00 C ATOM 115 O4 DT A 4 3.596 -1.804 3.643 1.00 8.00 O ATOM 116 C5 DT A 4 5.662 -2.587 2.692 1.00 8.00 C ATOM 117 C7 DT A 4 6.534 -2.124 3.836 1.00 8.00 C ATOM 118 C6 DT A 4 6.216 -3.235 1.635 1.00 8.00 C ATOM 0 H5' DT A 4 9.335 -6.889 0.523 1.00 8.00 H new ATOM 0 H5'' DT A 4 9.796 -6.656 -1.151 1.00 8.00 H new ATOM 0 H4' DT A 4 7.441 -7.030 -0.914 1.00 8.00 H new ATOM 0 H3' DT A 4 8.520 -4.993 -2.515 1.00 8.00 H new ATOM 0 H2' DT A 4 7.668 -3.266 -0.843 1.00 8.00 H new ATOM 0 H2'' DT A 4 6.378 -3.336 -2.027 1.00 8.00 H new ATOM 0 H1' DT A 4 5.233 -5.179 -0.783 1.00 8.00 H new ATOM 0 H3 DT A 4 2.508 -2.676 1.646 1.00 8.00 H new ATOM 0 H71 DT A 4 6.085 -1.248 4.305 1.00 8.00 H new ATOM 0 H72 DT A 4 6.624 -2.923 4.572 1.00 8.00 H new ATOM 0 H73 DT A 4 7.523 -1.866 3.458 1.00 8.00 H new ATOM 0 H6 DT A 4 7.289 -3.350 1.580 1.00 8.00 H new ATOM 131 P DG A 5 7.052 -6.895 -3.869 1.00 8.00 P ATOM 132 OP1 DG A 5 7.262 -8.110 -3.056 1.00 8.00 O ATOM 133 OP2 DG A 5 8.119 -6.404 -4.766 1.00 8.00 O ATOM 134 O5' DG A 5 5.698 -7.075 -4.725 1.00 8.00 O ATOM 135 C5' DG A 5 5.262 -6.050 -5.596 1.00 8.00 C ATOM 136 C4' DG A 5 3.847 -6.306 -6.128 1.00 8.00 C ATOM 137 O4' DG A 5 2.909 -5.876 -5.153 1.00 8.00 O ATOM 138 C3' DG A 5 3.606 -5.466 -7.393 1.00 8.00 C ATOM 139 O3' DG A 5 2.805 -6.195 -8.310 1.00 8.00 O ATOM 140 C2' DG A 5 2.829 -4.285 -6.831 1.00 8.00 C ATOM 141 C1' DG A 5 1.993 -5.034 -5.807 1.00 8.00 C ATOM 142 N9 DG A 5 1.267 -4.190 -4.845 1.00 8.00 N ATOM 143 C8 DG A 5 -0.082 -4.238 -4.617 1.00 8.00 C ATOM 144 N7 DG A 5 -0.512 -3.471 -3.652 1.00 8.00 N ATOM 145 C5 DG A 5 0.677 -2.882 -3.221 1.00 8.00 C ATOM 146 C6 DG A 5 0.871 -1.958 -2.131 1.00 8.00 C ATOM 147 O6 DG A 5 0.029 -1.483 -1.366 1.00 8.00 O ATOM 148 N1 DG A 5 2.189 -1.564 -1.959 1.00 8.00 N ATOM 149 C2 DG A 5 3.214 -2.017 -2.730 1.00 8.00 C ATOM 150 N2 DG A 5 4.421 -1.563 -2.435 1.00 8.00 N ATOM 151 N3 DG A 5 3.073 -2.877 -3.744 1.00 8.00 N ATOM 152 C4 DG A 5 1.774 -3.288 -3.936 1.00 8.00 C ATOM 0 H5' DG A 5 5.954 -5.969 -6.434 1.00 8.00 H new ATOM 0 H5'' DG A 5 5.284 -5.095 -5.071 1.00 8.00 H new ATOM 0 H4' DG A 5 3.737 -7.368 -6.348 1.00 8.00 H new ATOM 0 H3' DG A 5 4.512 -5.186 -7.931 1.00 8.00 H new ATOM 0 H2' DG A 5 3.473 -3.530 -6.381 1.00 8.00 H new ATOM 0 H2'' DG A 5 2.224 -3.780 -7.584 1.00 8.00 H new ATOM 0 H1' DG A 5 1.187 -5.566 -6.313 1.00 8.00 H new ATOM 0 H8 DG A 5 -0.744 -4.866 -5.195 1.00 8.00 H new ATOM 0 H1 DG A 5 2.401 -0.899 -1.215 1.00 8.00 H new ATOM 0 H21 DG A 5 5.228 -1.868 -2.979 1.00 8.00 H new ATOM 0 H22 DG A 5 4.545 -0.908 -1.663 1.00 8.00 H new ATOM 164 P DG A 6 2.481 -5.656 -9.804 1.00 8.00 P ATOM 165 OP1 DG A 6 2.016 -6.817 -10.588 1.00 8.00 O ATOM 166 OP2 DG A 6 3.637 -4.858 -10.263 1.00 8.00 O ATOM 167 O5' DG A 6 1.232 -4.646 -9.627 1.00 8.00 O ATOM 168 C5' DG A 6 -0.049 -5.128 -9.269 1.00 8.00 C ATOM 169 C4' DG A 6 -0.998 -4.014 -8.828 1.00 8.00 C ATOM 170 O4' DG A 6 -0.536 -3.456 -7.603 1.00 8.00 O ATOM 171 C3' DG A 6 -1.170 -2.877 -9.853 1.00 8.00 C ATOM 172 O3' DG A 6 -2.561 -2.632 -10.000 1.00 8.00 O ATOM 173 C2' DG A 6 -0.411 -1.753 -9.165 1.00 8.00 C ATOM 174 C1' DG A 6 -0.765 -2.070 -7.711 1.00 8.00 C ATOM 175 N9 DG A 6 -0.035 -1.287 -6.695 1.00 8.00 N ATOM 176 C8 DG A 6 1.288 -0.886 -6.600 1.00 8.00 C ATOM 177 N7 DG A 6 1.569 -0.175 -5.546 1.00 8.00 N ATOM 178 C5 DG A 6 0.323 -0.052 -4.944 1.00 8.00 C ATOM 179 C6 DG A 6 -0.037 0.659 -3.742 1.00 8.00 C ATOM 180 O6 DG A 6 0.702 1.262 -2.960 1.00 8.00 O ATOM 181 N1 DG A 6 -1.396 0.612 -3.456 1.00 8.00 N ATOM 182 C2 DG A 6 -2.298 -0.109 -4.180 1.00 8.00 C ATOM 183 N2 DG A 6 -3.535 -0.179 -3.722 1.00 8.00 N ATOM 184 N3 DG A 6 -1.991 -0.800 -5.282 1.00 8.00 N ATOM 185 C4 DG A 6 -0.665 -0.714 -5.618 1.00 8.00 C ATOM 0 H5' DG A 6 0.053 -5.853 -8.462 1.00 8.00 H new ATOM 0 H5'' DG A 6 -0.484 -5.655 -10.118 1.00 8.00 H new ATOM 0 H4' DG A 6 -1.975 -4.484 -8.719 1.00 8.00 H new ATOM 0 H3' DG A 6 -0.802 -3.050 -10.864 1.00 8.00 H new ATOM 0 H2' DG A 6 0.662 -1.793 -9.354 1.00 8.00 H new ATOM 0 H2'' DG A 6 -0.752 -0.765 -9.474 1.00 8.00 H new ATOM 0 H1' DG A 6 -1.795 -1.785 -7.496 1.00 8.00 H new ATOM 0 H8 DG A 6 2.029 -1.143 -7.343 1.00 8.00 H new ATOM 0 H1 DG A 6 -1.738 1.148 -2.658 1.00 8.00 H new ATOM 0 H21 DG A 6 -4.240 -0.709 -4.235 1.00 8.00 H new ATOM 0 H22 DG A 6 -3.786 0.297 -2.855 1.00 8.00 H new ATOM 197 P DT A 7 -3.158 -1.449 -10.919 1.00 8.00 P ATOM 198 OP1 DT A 7 -4.451 -1.913 -11.460 1.00 8.00 O ATOM 199 OP2 DT A 7 -2.106 -0.930 -11.821 1.00 8.00 O ATOM 200 O5' DT A 7 -3.459 -0.366 -9.767 1.00 8.00 O ATOM 201 C5' DT A 7 -4.081 0.876 -10.052 1.00 8.00 C ATOM 202 C4' DT A 7 -5.046 1.305 -8.940 1.00 8.00 C ATOM 203 O4' DT A 7 -6.144 0.406 -8.945 1.00 8.00 O ATOM 204 C3' DT A 7 -4.434 1.303 -7.526 1.00 8.00 C ATOM 205 O3' DT A 7 -5.010 2.313 -6.715 1.00 8.00 O ATOM 206 C2' DT A 7 -4.908 -0.031 -6.995 1.00 8.00 C ATOM 207 C1' DT A 7 -6.301 -0.066 -7.629 1.00 8.00 C ATOM 208 N1 DT A 7 -6.854 -1.429 -7.623 1.00 8.00 N ATOM 209 C2 DT A 7 -8.078 -1.637 -6.990 1.00 8.00 C ATOM 210 O2 DT A 7 -8.785 -0.735 -6.547 1.00 8.00 O ATOM 211 N3 DT A 7 -8.486 -2.944 -6.856 1.00 8.00 N ATOM 212 C4 DT A 7 -7.811 -4.049 -7.334 1.00 8.00 C ATOM 213 O4 DT A 7 -8.293 -5.156 -7.136 1.00 8.00 O ATOM 214 C5 DT A 7 -6.568 -3.745 -8.035 1.00 8.00 C ATOM 215 C7 DT A 7 -5.732 -4.850 -8.635 1.00 8.00 C ATOM 216 C6 DT A 7 -6.129 -2.469 -8.159 1.00 8.00 C ATOM 0 H5' DT A 7 -4.624 0.802 -10.994 1.00 8.00 H new ATOM 0 H5'' DT A 7 -3.317 1.642 -10.184 1.00 8.00 H new ATOM 0 H4' DT A 7 -5.331 2.335 -9.153 1.00 8.00 H new ATOM 0 H3' DT A 7 -3.356 1.466 -7.531 1.00 8.00 H new ATOM 0 H2' DT A 7 -4.278 -0.860 -7.318 1.00 8.00 H new ATOM 0 H2'' DT A 7 -4.941 -0.062 -5.906 1.00 8.00 H new ATOM 0 H1' DT A 7 -7.002 0.551 -7.067 1.00 8.00 H new ATOM 0 H3 DT A 7 -9.362 -3.111 -6.361 1.00 8.00 H new ATOM 0 H71 DT A 7 -5.201 -4.471 -9.508 1.00 8.00 H new ATOM 0 H72 DT A 7 -5.012 -5.203 -7.897 1.00 8.00 H new ATOM 0 H73 DT A 7 -6.379 -5.675 -8.934 1.00 8.00 H new ATOM 0 H6 DT A 7 -5.205 -2.267 -8.681 1.00 8.00 H new ATOM 229 P DG A 8 -4.558 3.857 -6.813 1.00 8.00 P ATOM 230 OP1 DG A 8 -5.735 4.685 -6.486 1.00 8.00 O ATOM 231 OP2 DG A 8 -3.841 4.048 -8.091 1.00 8.00 O ATOM 232 O5' DG A 8 -3.485 4.013 -5.628 1.00 8.00 O ATOM 233 C5' DG A 8 -3.826 3.792 -4.272 1.00 8.00 C ATOM 234 C4' DG A 8 -2.826 4.464 -3.324 1.00 8.00 C ATOM 235 O4' DG A 8 -1.570 3.807 -3.319 1.00 8.00 O ATOM 236 C3' DG A 8 -2.607 5.933 -3.687 1.00 8.00 C ATOM 237 O3' DG A 8 -2.608 6.729 -2.516 1.00 8.00 O ATOM 238 C2' DG A 8 -1.237 5.956 -4.342 1.00 8.00 C ATOM 239 C1' DG A 8 -0.581 4.661 -3.866 1.00 8.00 C ATOM 240 N9 DG A 8 0.055 3.963 -4.996 1.00 8.00 N ATOM 241 C8 DG A 8 -0.521 3.123 -5.913 1.00 8.00 C ATOM 242 N7 DG A 8 0.299 2.674 -6.819 1.00 8.00 N ATOM 243 C5 DG A 8 1.520 3.248 -6.462 1.00 8.00 C ATOM 244 C6 DG A 8 2.829 3.101 -7.026 1.00 8.00 C ATOM 245 O6 DG A 8 3.198 2.425 -7.978 1.00 8.00 O ATOM 246 N1 DG A 8 3.794 3.835 -6.359 1.00 8.00 N ATOM 247 C2 DG A 8 3.539 4.623 -5.276 1.00 8.00 C ATOM 248 N2 DG A 8 4.574 5.249 -4.762 1.00 8.00 N ATOM 249 N3 DG A 8 2.344 4.769 -4.709 1.00 8.00 N ATOM 250 C4 DG A 8 1.374 4.049 -5.350 1.00 8.00 C ATOM 0 H5' DG A 8 -3.854 2.721 -4.073 1.00 8.00 H new ATOM 0 H5'' DG A 8 -4.827 4.178 -4.080 1.00 8.00 H new ATOM 0 H4' DG A 8 -3.266 4.395 -2.329 1.00 8.00 H new ATOM 0 H3' DG A 8 -3.387 6.327 -4.338 1.00 8.00 H new ATOM 0 H2' DG A 8 -1.314 5.989 -5.429 1.00 8.00 H new ATOM 0 H2'' DG A 8 -0.663 6.831 -4.037 1.00 8.00 H new ATOM 0 H1' DG A 8 0.171 4.909 -3.117 1.00 8.00 H new ATOM 0 H8 DG A 8 -1.567 2.856 -5.886 1.00 8.00 H new ATOM 0 H1 DG A 8 4.755 3.783 -6.698 1.00 8.00 H new ATOM 0 H21 DG A 8 4.452 5.855 -3.950 1.00 8.00 H new ATOM 0 H22 DG A 8 5.499 5.129 -5.175 1.00 8.00 H new ATOM 262 P DT A 9 -3.413 8.127 -2.451 1.00 8.00 P ATOM 263 OP1 DT A 9 -4.371 8.191 -3.577 1.00 8.00 O ATOM 264 OP2 DT A 9 -2.444 9.213 -2.222 1.00 8.00 O ATOM 265 O5' DT A 9 -4.255 7.910 -1.107 1.00 8.00 O ATOM 266 C5' DT A 9 -5.324 6.990 -1.075 1.00 8.00 C ATOM 267 C4' DT A 9 -5.909 6.840 0.331 1.00 8.00 C ATOM 268 O4' DT A 9 -4.934 6.251 1.170 1.00 8.00 O ATOM 269 C3' DT A 9 -6.348 8.164 0.972 1.00 8.00 C ATOM 270 O3' DT A 9 -7.476 8.019 1.821 1.00 8.00 O ATOM 271 C2' DT A 9 -5.162 8.528 1.844 1.00 8.00 C ATOM 272 C1' DT A 9 -4.549 7.168 2.178 1.00 8.00 C ATOM 273 N1 DT A 9 -3.086 7.317 2.282 1.00 8.00 N ATOM 274 C2 DT A 9 -2.584 7.946 3.423 1.00 8.00 C ATOM 275 O2 DT A 9 -3.260 8.179 4.424 1.00 8.00 O ATOM 276 N3 DT A 9 -1.258 8.326 3.389 1.00 8.00 N ATOM 277 C4 DT A 9 -0.368 8.008 2.389 1.00 8.00 C ATOM 278 O4 DT A 9 0.798 8.360 2.517 1.00 8.00 O ATOM 279 C5 DT A 9 -0.940 7.278 1.260 1.00 8.00 C ATOM 280 C7 DT A 9 -0.070 6.887 0.085 1.00 8.00 C ATOM 281 C6 DT A 9 -2.265 6.988 1.225 1.00 8.00 C ATOM 0 H5' DT A 9 -4.977 6.019 -1.429 1.00 8.00 H new ATOM 0 H5'' DT A 9 -6.106 7.319 -1.760 1.00 8.00 H new ATOM 0 H4' DT A 9 -6.801 6.222 0.227 1.00 8.00 H new ATOM 0 H3' DT A 9 -6.623 8.894 0.211 1.00 8.00 H new ATOM 0 H2' DT A 9 -4.456 9.170 1.317 1.00 8.00 H new ATOM 0 H2'' DT A 9 -5.471 9.063 2.742 1.00 8.00 H new ATOM 0 H1' DT A 9 -4.905 6.786 3.135 1.00 8.00 H new ATOM 0 H3 DT A 9 -0.910 8.887 4.167 1.00 8.00 H new ATOM 0 H71 DT A 9 -0.451 5.967 -0.359 1.00 8.00 H new ATOM 0 H72 DT A 9 -0.085 7.683 -0.659 1.00 8.00 H new ATOM 0 H73 DT A 9 0.953 6.729 0.426 1.00 8.00 H new ATOM 0 H6 DT A 9 -2.681 6.494 0.359 1.00 8.00 H new ATOM 294 P DG A 10 -8.971 7.973 1.227 1.00 8.00 P ATOM 295 OP1 DG A 10 -9.042 8.891 0.074 1.00 8.00 O ATOM 296 OP2 DG A 10 -9.855 8.161 2.400 1.00 8.00 O ATOM 297 O5' DG A 10 -9.135 6.477 0.689 1.00 8.00 O ATOM 298 C5' DG A 10 -9.183 5.375 1.568 1.00 8.00 C ATOM 299 C4' DG A 10 -9.377 4.114 0.738 1.00 8.00 C ATOM 300 O4' DG A 10 -8.165 3.793 0.074 1.00 8.00 O ATOM 301 C3' DG A 10 -9.748 2.894 1.597 1.00 8.00 C ATOM 302 O3' DG A 10 -10.863 2.265 0.985 1.00 8.00 O ATOM 303 C2' DG A 10 -8.496 2.027 1.496 1.00 8.00 C ATOM 304 C1' DG A 10 -8.095 2.389 0.078 1.00 8.00 C ATOM 305 N9 DG A 10 -6.750 1.900 -0.305 1.00 8.00 N ATOM 306 C8 DG A 10 -6.404 1.040 -1.330 1.00 8.00 C ATOM 307 N7 DG A 10 -5.131 0.990 -1.592 1.00 8.00 N ATOM 308 C5 DG A 10 -4.607 1.811 -0.603 1.00 8.00 C ATOM 309 C6 DG A 10 -3.224 2.128 -0.360 1.00 8.00 C ATOM 310 O6 DG A 10 -2.239 1.776 -1.005 1.00 8.00 O ATOM 311 N1 DG A 10 -3.025 2.910 0.770 1.00 8.00 N ATOM 312 C2 DG A 10 -4.026 3.309 1.602 1.00 8.00 C ATOM 313 N2 DG A 10 -3.669 3.913 2.726 1.00 8.00 N ATOM 314 N3 DG A 10 -5.321 3.057 1.380 1.00 8.00 N ATOM 315 C4 DG A 10 -5.553 2.310 0.247 1.00 8.00 C ATOM 0 H5' DG A 10 -10.000 5.491 2.280 1.00 8.00 H new ATOM 0 H5'' DG A 10 -8.262 5.311 2.148 1.00 8.00 H new ATOM 0 H4' DG A 10 -10.188 4.324 0.041 1.00 8.00 H new ATOM 0 H3' DG A 10 -10.018 3.107 2.631 1.00 8.00 H new ATOM 0 H2' DG A 10 -7.737 2.291 2.232 1.00 8.00 H new ATOM 0 H2'' DG A 10 -8.705 0.964 1.620 1.00 8.00 H new ATOM 0 H1' DG A 10 -8.745 1.918 -0.659 1.00 8.00 H new ATOM 0 H8 DG A 10 -7.133 0.455 -1.871 1.00 8.00 H new ATOM 0 H1 DG A 10 -2.073 3.203 0.990 1.00 8.00 H new ATOM 0 H21 DG A 10 -4.382 4.231 3.383 1.00 8.00 H new ATOM 0 H22 DG A 10 -2.681 4.060 2.934 1.00 8.00 H new ATOM 327 P DG A 11 -11.644 1.029 1.669 1.00 8.00 P ATOM 328 OP1 DG A 11 -12.991 0.978 1.062 1.00 8.00 O ATOM 329 OP2 DG A 11 -11.482 1.165 3.129 1.00 8.00 O ATOM 330 O5' DG A 11 -10.802 -0.260 1.180 1.00 8.00 O ATOM 331 C5' DG A 11 -10.746 -0.627 -0.186 1.00 8.00 C ATOM 332 C4' DG A 11 -9.752 -1.763 -0.449 1.00 8.00 C ATOM 333 O4' DG A 11 -8.416 -1.310 -0.286 1.00 8.00 O ATOM 334 C3' DG A 11 -9.957 -2.977 0.464 1.00 8.00 C ATOM 335 O3' DG A 11 -10.044 -4.169 -0.288 1.00 8.00 O ATOM 336 C2' DG A 11 -8.669 -3.034 1.272 1.00 8.00 C ATOM 337 C1' DG A 11 -7.688 -2.364 0.308 1.00 8.00 C ATOM 338 N9 DG A 11 -6.426 -1.833 0.856 1.00 8.00 N ATOM 339 C8 DG A 11 -6.192 -1.137 2.018 1.00 8.00 C ATOM 340 N7 DG A 11 -4.977 -0.700 2.161 1.00 8.00 N ATOM 341 C5 DG A 11 -4.366 -1.173 1.011 1.00 8.00 C ATOM 342 C6 DG A 11 -2.989 -1.029 0.620 1.00 8.00 C ATOM 343 O6 DG A 11 -2.089 -0.423 1.209 1.00 8.00 O ATOM 344 N1 DG A 11 -2.685 -1.675 -0.571 1.00 8.00 N ATOM 345 C2 DG A 11 -3.587 -2.410 -1.287 1.00 8.00 C ATOM 346 N2 DG A 11 -3.118 -3.025 -2.365 1.00 8.00 N ATOM 347 N3 DG A 11 -4.880 -2.542 -0.957 1.00 8.00 N ATOM 348 C4 DG A 11 -5.210 -1.896 0.212 1.00 8.00 C ATOM 0 H5' DG A 11 -10.465 0.242 -0.781 1.00 8.00 H new ATOM 0 H5'' DG A 11 -11.738 -0.933 -0.517 1.00 8.00 H new ATOM 0 H4' DG A 11 -9.936 -2.076 -1.477 1.00 8.00 H new ATOM 0 H3' DG A 11 -10.868 -2.888 1.056 1.00 8.00 H new ATOM 0 H2' DG A 11 -8.751 -2.496 2.217 1.00 8.00 H new ATOM 0 H2'' DG A 11 -8.378 -4.057 1.512 1.00 8.00 H new ATOM 0 H1' DG A 11 -7.337 -3.143 -0.369 1.00 8.00 H new ATOM 0 H8 DG A 11 -6.961 -0.966 2.757 1.00 8.00 H new ATOM 0 H1 DG A 11 -1.734 -1.596 -0.932 1.00 8.00 H new ATOM 0 H21 DG A 11 -3.742 -3.590 -2.942 1.00 8.00 H new ATOM 0 H22 DG A 11 -2.134 -2.933 -2.617 1.00 8.00 H new ATOM 360 P DT A 12 -11.008 -5.355 0.206 1.00 8.00 P ATOM 361 OP1 DT A 12 -10.663 -6.578 -0.542 1.00 8.00 O ATOM 362 OP2 DT A 12 -12.393 -4.839 0.213 1.00 8.00 O ATOM 363 O5' DT A 12 -10.534 -5.558 1.731 1.00 8.00 O ATOM 364 C5' DT A 12 -11.477 -5.816 2.754 1.00 8.00 C ATOM 365 C4' DT A 12 -10.796 -6.086 4.093 1.00 8.00 C ATOM 366 O4' DT A 12 -10.072 -7.295 4.035 1.00 8.00 O ATOM 367 C3' DT A 12 -9.867 -4.957 4.539 1.00 8.00 C ATOM 368 O3' DT A 12 -10.236 -4.551 5.837 1.00 8.00 O ATOM 369 C2' DT A 12 -8.479 -5.570 4.589 1.00 8.00 C ATOM 370 C1' DT A 12 -8.709 -7.058 4.308 1.00 8.00 C ATOM 371 N1 DT A 12 -7.947 -7.631 3.179 1.00 8.00 N ATOM 372 C2 DT A 12 -7.535 -8.957 3.303 1.00 8.00 C ATOM 373 O2 DT A 12 -7.702 -9.633 4.314 1.00 8.00 O ATOM 374 N3 DT A 12 -6.892 -9.513 2.218 1.00 8.00 N ATOM 375 C4 DT A 12 -6.643 -8.879 1.021 1.00 8.00 C ATOM 376 O4 DT A 12 -6.058 -9.496 0.138 1.00 8.00 O ATOM 377 C5 DT A 12 -7.122 -7.505 0.956 1.00 8.00 C ATOM 378 C7 DT A 12 -6.928 -6.696 -0.300 1.00 8.00 C ATOM 379 C6 DT A 12 -7.747 -6.934 2.013 1.00 8.00 C ATOM 0 H5' DT A 12 -12.089 -6.674 2.477 1.00 8.00 H new ATOM 0 H5'' DT A 12 -12.149 -4.964 2.853 1.00 8.00 H new ATOM 0 H4' DT A 12 -11.593 -6.155 4.833 1.00 8.00 H new ATOM 0 H3' DT A 12 -9.912 -4.096 3.872 1.00 8.00 H new ATOM 0 H2' DT A 12 -7.820 -5.122 3.845 1.00 8.00 H new ATOM 0 H2'' DT A 12 -8.012 -5.417 5.562 1.00 8.00 H new ATOM 0 H1' DT A 12 -8.356 -7.546 5.217 1.00 8.00 H new ATOM 0 H3 DT A 12 -6.573 -10.477 2.310 1.00 8.00 H new ATOM 0 H71 DT A 12 -6.024 -7.028 -0.810 1.00 8.00 H new ATOM 0 H72 DT A 12 -7.787 -6.833 -0.957 1.00 8.00 H new ATOM 0 H73 DT A 12 -6.833 -5.641 -0.042 1.00 8.00 H new ATOM 0 H6 DT A 12 -8.094 -5.914 1.938 1.00 8.00 H new ATOM 392 P DT A 13 -10.064 -3.028 6.310 1.00 8.00 P ATOM 393 OP1 DT A 13 -10.774 -2.895 7.599 1.00 8.00 O ATOM 394 OP2 DT A 13 -10.415 -2.166 5.167 1.00 8.00 O ATOM 395 O5' DT A 13 -8.482 -2.870 6.575 1.00 8.00 O ATOM 396 C5' DT A 13 -7.872 -3.465 7.703 1.00 8.00 C ATOM 397 C4' DT A 13 -6.383 -3.139 7.804 1.00 8.00 C ATOM 398 O4' DT A 13 -5.688 -3.644 6.680 1.00 8.00 O ATOM 399 C3' DT A 13 -6.071 -1.638 7.936 1.00 8.00 C ATOM 400 O3' DT A 13 -4.957 -1.462 8.785 1.00 8.00 O ATOM 401 C2' DT A 13 -5.586 -1.354 6.531 1.00 8.00 C ATOM 402 C1' DT A 13 -4.796 -2.616 6.301 1.00 8.00 C ATOM 403 N1 DT A 13 -4.175 -2.772 4.986 1.00 8.00 N ATOM 404 C2 DT A 13 -2.830 -2.446 4.822 1.00 8.00 C ATOM 405 O2 DT A 13 -2.165 -1.821 5.642 1.00 8.00 O ATOM 406 N3 DT A 13 -2.220 -2.907 3.673 1.00 8.00 N ATOM 407 C4 DT A 13 -2.821 -3.706 2.724 1.00 8.00 C ATOM 408 O4 DT A 13 -2.138 -4.094 1.781 1.00 8.00 O ATOM 409 C5 DT A 13 -4.230 -4.022 2.973 1.00 8.00 C ATOM 410 C7 DT A 13 -4.967 -4.991 2.061 1.00 8.00 C ATOM 411 C6 DT A 13 -4.848 -3.532 4.080 1.00 8.00 C ATOM 0 H5' DT A 13 -8.001 -4.546 7.654 1.00 8.00 H new ATOM 0 H5'' DT A 13 -8.377 -3.125 8.607 1.00 8.00 H new ATOM 0 H4' DT A 13 -6.050 -3.620 8.724 1.00 8.00 H new ATOM 0 H3' DT A 13 -6.897 -1.034 8.312 1.00 8.00 H new ATOM 0 H2' DT A 13 -6.403 -1.232 5.819 1.00 8.00 H new ATOM 0 H2'' DT A 13 -4.973 -0.455 6.470 1.00 8.00 H new ATOM 0 H1' DT A 13 -3.884 -2.620 6.898 1.00 8.00 H new ATOM 0 H3 DT A 13 -1.250 -2.636 3.514 1.00 8.00 H new ATOM 0 H71 DT A 13 -4.545 -4.938 1.057 1.00 8.00 H new ATOM 0 H72 DT A 13 -4.861 -6.005 2.446 1.00 8.00 H new ATOM 0 H73 DT A 13 -6.023 -4.725 2.025 1.00 8.00 H new ATOM 0 H6 DT A 13 -5.893 -3.750 4.244 1.00 8.00 H new ATOM 424 P DG A 14 -5.008 -0.734 10.204 1.00 8.00 P ATOM 425 OP1 DG A 14 -4.550 -1.681 11.225 1.00 8.00 O ATOM 426 OP2 DG A 14 -6.313 -0.029 10.348 1.00 8.00 O ATOM 427 O5' DG A 14 -3.823 0.314 9.987 1.00 8.00 O ATOM 428 C5' DG A 14 -3.980 1.701 10.105 1.00 8.00 C ATOM 429 C4' DG A 14 -2.612 2.371 9.938 1.00 8.00 C ATOM 430 O4' DG A 14 -1.816 1.758 8.935 1.00 8.00 O ATOM 431 C3' DG A 14 -2.729 3.857 9.581 1.00 8.00 C ATOM 432 O3' DG A 14 -2.003 4.604 10.543 1.00 8.00 O ATOM 433 C2' DG A 14 -2.028 3.891 8.236 1.00 8.00 C ATOM 434 C1' DG A 14 -1.017 2.789 8.431 1.00 8.00 C ATOM 435 N9 DG A 14 -0.343 2.462 7.172 1.00 8.00 N ATOM 436 C8 DG A 14 0.951 2.764 6.856 1.00 8.00 C ATOM 437 N7 DG A 14 1.355 2.347 5.689 1.00 8.00 N ATOM 438 C5 DG A 14 0.179 1.786 5.179 1.00 8.00 C ATOM 439 C6 DG A 14 -0.060 1.181 3.892 1.00 8.00 C ATOM 440 O6 DG A 14 0.741 0.981 2.975 1.00 8.00 O ATOM 441 N1 DG A 14 -1.384 0.813 3.679 1.00 8.00 N ATOM 442 C2 DG A 14 -2.373 1.016 4.599 1.00 8.00 C ATOM 443 N2 DG A 14 -3.615 0.746 4.241 1.00 8.00 N ATOM 444 N3 DG A 14 -2.184 1.558 5.800 1.00 8.00 N ATOM 445 C4 DG A 14 -0.880 1.903 6.040 1.00 8.00 C ATOM 0 H5' DG A 14 -4.406 1.951 11.077 1.00 8.00 H new ATOM 0 H5'' DG A 14 -4.674 2.068 9.349 1.00 8.00 H new ATOM 0 H4' DG A 14 -2.134 2.253 10.910 1.00 8.00 H new ATOM 0 H3' DG A 14 -3.741 4.262 9.557 1.00 8.00 H new ATOM 0 H2' DG A 14 -2.708 3.689 7.408 1.00 8.00 H new ATOM 0 H2'' DG A 14 -1.559 4.854 8.036 1.00 8.00 H new ATOM 0 H1' DG A 14 -0.189 3.032 9.097 1.00 8.00 H new ATOM 0 H8 DG A 14 1.596 3.311 7.528 1.00 8.00 H new ATOM 0 H1 DG A 14 -1.628 0.370 2.793 1.00 8.00 H new ATOM 0 H21 DG A 14 -4.378 0.886 4.903 1.00 8.00 H new ATOM 0 H22 DG A 14 -3.811 0.398 3.303 1.00 8.00 H new ATOM 457 P DG A 15 -2.041 6.216 10.607 1.00 8.00 P ATOM 458 OP1 DG A 15 -1.563 6.623 11.944 1.00 8.00 O ATOM 459 OP2 DG A 15 -3.361 6.665 10.115 1.00 8.00 O ATOM 460 O5' DG A 15 -0.934 6.661 9.518 1.00 8.00 O ATOM 461 C5' DG A 15 0.452 6.493 9.760 1.00 8.00 C ATOM 462 C4' DG A 15 1.298 6.881 8.542 1.00 8.00 C ATOM 463 O4' DG A 15 1.160 5.924 7.501 1.00 8.00 O ATOM 464 C3' DG A 15 0.915 8.261 7.983 1.00 8.00 C ATOM 465 O3' DG A 15 2.056 9.059 7.767 1.00 8.00 O ATOM 466 C2' DG A 15 0.289 7.923 6.642 1.00 8.00 C ATOM 467 C1' DG A 15 1.037 6.634 6.286 1.00 8.00 C ATOM 468 N9 DG A 15 0.421 5.803 5.250 1.00 8.00 N ATOM 469 C8 DG A 15 -0.899 5.506 5.081 1.00 8.00 C ATOM 470 N7 DG A 15 -1.191 4.808 4.024 1.00 8.00 N ATOM 471 C5 DG A 15 0.067 4.658 3.453 1.00 8.00 C ATOM 472 C6 DG A 15 0.408 4.022 2.210 1.00 8.00 C ATOM 473 O6 DG A 15 -0.337 3.443 1.418 1.00 8.00 O ATOM 474 N1 DG A 15 1.753 4.115 1.893 1.00 8.00 N ATOM 475 C2 DG A 15 2.686 4.708 2.684 1.00 8.00 C ATOM 476 N2 DG A 15 3.937 4.664 2.250 1.00 8.00 N ATOM 477 N3 DG A 15 2.404 5.302 3.852 1.00 8.00 N ATOM 478 C4 DG A 15 1.068 5.252 4.172 1.00 8.00 C ATOM 0 H5' DG A 15 0.651 5.454 10.024 1.00 8.00 H new ATOM 0 H5'' DG A 15 0.747 7.101 10.615 1.00 8.00 H new ATOM 0 H4' DG A 15 2.331 6.914 8.889 1.00 8.00 H new ATOM 0 H3' DG A 15 0.266 8.817 8.659 1.00 8.00 H new ATOM 0 H2' DG A 15 -0.787 7.768 6.717 1.00 8.00 H new ATOM 0 H2'' DG A 15 0.447 8.709 5.903 1.00 8.00 H new ATOM 0 HO3' DG A 15 1.783 9.930 7.410 1.00 8.00 H new ATOM 0 H1' DG A 15 1.994 6.901 5.838 1.00 8.00 H new ATOM 0 H8 DG A 15 -1.654 5.830 5.781 1.00 8.00 H new ATOM 0 H1 DG A 15 2.064 3.712 1.009 1.00 8.00 H new ATOM 0 H21 DG A 15 4.683 5.091 2.799 1.00 8.00 H new ATOM 0 H22 DG A 15 4.154 4.203 1.367 1.00 8.00 H new TER 491 DG A 15 HETATM 492 C4 1CF A 101 4.955 7.939 -0.240 1.00 8.00 C HETATM 493 C5 1CF A 101 4.390 7.346 -1.542 1.00 8.00 C HETATM 494 C6 1CF A 101 3.121 6.518 -1.389 1.00 8.00 C HETATM 495 C11 1CF A 101 8.526 6.083 -5.250 1.00 8.00 C HETATM 496 C12 1CF A 101 8.589 6.710 -3.870 1.00 8.00 C HETATM 497 C3 1CF A 101 6.252 8.684 -0.541 1.00 8.00 C HETATM 498 O11 1CF A 101 9.798 5.567 -5.542 1.00 8.00 O HETATM 499 C1 1CF A 101 6.654 7.157 -2.493 1.00 8.00 C HETATM 500 C2 1CF A 101 7.272 7.772 -1.228 1.00 8.00 C HETATM 501 O2 1CF A 101 8.415 8.566 -1.581 1.00 8.00 O HETATM 502 O3 1CF A 101 6.833 9.145 0.693 1.00 8.00 O HETATM 503 O4 1CF A 101 5.255 6.858 0.667 1.00 8.00 O HETATM 504 O5 1CF A 101 5.407 6.481 -2.138 1.00 8.00 O HETATM 505 O1 1CF A 101 7.565 6.176 -3.056 1.00 8.00 O