USER MOD reduce.3.24.130724 H: found=0, std=0, add=241, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 241 hydrogens (18 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 55:sc= 0.747 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.41! (180deg=-7.42!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.283 -3.774 -7.189 1.00 0.00 O ATOM 2 C5' DG A 1 3.400 -3.726 -8.611 1.00 0.00 C ATOM 3 C4' DG A 1 2.070 -3.363 -9.274 1.00 0.00 C ATOM 4 O4' DG A 1 1.069 -4.312 -8.903 1.00 0.00 O ATOM 5 C3' DG A 1 1.528 -2.001 -8.883 1.00 0.00 C ATOM 6 O3' DG A 1 2.061 -0.992 -9.748 1.00 0.00 O ATOM 7 C2' DG A 1 0.034 -2.154 -9.122 1.00 0.00 C ATOM 8 C1' DG A 1 -0.203 -3.643 -8.865 1.00 0.00 C ATOM 9 N9 DG A 1 -0.825 -3.920 -7.556 1.00 0.00 N ATOM 10 C8 DG A 1 -2.135 -3.799 -7.187 1.00 0.00 C ATOM 11 N7 DG A 1 -2.390 -4.089 -5.947 1.00 0.00 N ATOM 12 C5 DG A 1 -1.139 -4.439 -5.438 1.00 0.00 C ATOM 13 C6 DG A 1 -0.773 -4.854 -4.128 1.00 0.00 C ATOM 14 O6 DG A 1 -1.494 -4.991 -3.141 1.00 0.00 O ATOM 15 N1 DG A 1 0.588 -5.112 -4.038 1.00 0.00 N ATOM 16 C2 DG A 1 1.489 -4.987 -5.075 1.00 0.00 C ATOM 17 N2 DG A 1 2.756 -5.285 -4.791 1.00 0.00 N ATOM 18 N3 DG A 1 1.149 -4.595 -6.308 1.00 0.00 N ATOM 19 C4 DG A 1 -0.175 -4.339 -6.417 1.00 0.00 C ATOM 0 H5' DG A 1 3.740 -4.693 -8.981 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.158 -2.994 -8.890 1.00 0.00 H new ATOM 0 H4' DG A 1 2.282 -3.359 -10.343 1.00 0.00 H new ATOM 0 H3' DG A 1 1.781 -1.707 -7.864 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.549 -1.530 -8.445 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.244 -1.870 -10.137 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.561 -4.388 -6.941 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.889 -3.999 -9.634 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.904 -3.485 -7.877 1.00 0.00 H new ATOM 0 H1 DG A 1 0.950 -5.418 -3.135 1.00 0.00 H new ATOM 0 H21 DG A 1 3.471 -5.213 -5.515 1.00 0.00 H new ATOM 0 H22 DG A 1 3.011 -5.585 -3.850 1.00 0.00 H new ATOM 32 P DG A 2 2.275 0.507 -9.202 1.00 0.00 P ATOM 33 OP1 DG A 2 2.830 1.328 -10.303 1.00 0.00 O ATOM 34 OP2 DG A 2 2.988 0.428 -7.909 1.00 0.00 O ATOM 35 O5' DG A 2 0.765 0.996 -8.918 1.00 0.00 O ATOM 36 C5' DG A 2 -0.157 1.160 -9.999 1.00 0.00 C ATOM 37 C4' DG A 2 -1.599 1.281 -9.503 1.00 0.00 C ATOM 38 O4' DG A 2 -1.995 0.090 -8.821 1.00 0.00 O ATOM 39 C3' DG A 2 -1.830 2.434 -8.536 1.00 0.00 C ATOM 40 O3' DG A 2 -2.200 3.613 -9.251 1.00 0.00 O ATOM 41 C2' DG A 2 -2.995 1.944 -7.700 1.00 0.00 C ATOM 42 C1' DG A 2 -2.715 0.446 -7.630 1.00 0.00 C ATOM 43 N9 DG A 2 -1.888 0.053 -6.472 1.00 0.00 N ATOM 44 C8 DG A 2 -0.526 -0.010 -6.368 1.00 0.00 C ATOM 45 N7 DG A 2 -0.077 -0.363 -5.201 1.00 0.00 N ATOM 46 C5 DG A 2 -1.240 -0.556 -4.456 1.00 0.00 C ATOM 47 C6 DG A 2 -1.399 -0.951 -3.099 1.00 0.00 C ATOM 48 O6 DG A 2 -0.526 -1.204 -2.270 1.00 0.00 O ATOM 49 N1 DG A 2 -2.739 -1.028 -2.744 1.00 0.00 N ATOM 50 C2 DG A 2 -3.799 -0.760 -3.586 1.00 0.00 C ATOM 51 N2 DG A 2 -5.019 -0.892 -3.065 1.00 0.00 N ATOM 52 N3 DG A 2 -3.654 -0.386 -4.862 1.00 0.00 N ATOM 53 C4 DG A 2 -2.354 -0.306 -5.228 1.00 0.00 C ATOM 0 H5' DG A 2 -0.076 0.311 -10.678 1.00 0.00 H new ATOM 0 H5'' DG A 2 0.107 2.050 -10.570 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.186 1.459 -10.404 1.00 0.00 H new ATOM 0 H3' DG A 2 -0.949 2.690 -7.948 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.012 2.404 -6.712 1.00 0.00 H new ATOM 0 H2'' DG A 2 -3.955 2.160 -8.169 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.673 -0.065 -7.531 1.00 0.00 H new ATOM 0 H8 DG A 2 0.129 0.217 -7.196 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.957 -1.304 -1.787 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.842 -0.707 -3.639 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.130 -1.178 -2.092 1.00 0.00 H new ATOM 65 P DG A 3 -2.140 5.047 -8.522 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.187 6.098 -9.563 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.026 5.022 -7.548 1.00 0.00 O ATOM 68 O5' DG A 3 -3.527 5.081 -7.708 1.00 0.00 O ATOM 69 C5' DG A 3 -4.773 4.956 -8.398 1.00 0.00 C ATOM 70 C4' DG A 3 -5.953 4.925 -7.433 1.00 0.00 C ATOM 71 O4' DG A 3 -5.672 3.989 -6.378 1.00 0.00 O ATOM 72 C3' DG A 3 -6.249 6.272 -6.779 1.00 0.00 C ATOM 73 O3' DG A 3 -7.665 6.476 -6.742 1.00 0.00 O ATOM 74 C2' DG A 3 -5.712 6.157 -5.359 1.00 0.00 C ATOM 75 C1' DG A 3 -5.651 4.653 -5.111 1.00 0.00 C ATOM 76 N9 DG A 3 -4.435 4.212 -4.400 1.00 0.00 N ATOM 77 C8 DG A 3 -3.146 4.159 -4.850 1.00 0.00 C ATOM 78 N7 DG A 3 -2.276 3.735 -3.984 1.00 0.00 N ATOM 79 C5 DG A 3 -3.049 3.481 -2.854 1.00 0.00 C ATOM 80 C6 DG A 3 -2.659 2.994 -1.577 1.00 0.00 C ATOM 81 O6 DG A 3 -1.534 2.690 -1.187 1.00 0.00 O ATOM 82 N1 DG A 3 -3.748 2.880 -0.722 1.00 0.00 N ATOM 83 C2 DG A 3 -5.050 3.193 -1.051 1.00 0.00 C ATOM 84 N2 DG A 3 -5.961 3.013 -0.095 1.00 0.00 N ATOM 85 N3 DG A 3 -5.420 3.652 -2.252 1.00 0.00 N ATOM 86 C4 DG A 3 -4.372 3.769 -3.099 1.00 0.00 C ATOM 0 H5' DG A 3 -4.768 4.044 -8.996 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.891 5.790 -9.090 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.823 4.642 -8.026 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.797 7.104 -7.320 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.729 6.618 -5.265 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.366 6.654 -4.643 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.506 4.405 -4.482 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.871 4.449 -5.853 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.571 2.538 0.223 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.941 3.227 -0.278 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.678 2.661 0.820 1.00 0.00 H new ATOM 98 P DG A 4 -8.386 7.395 -7.851 1.00 0.00 P ATOM 99 OP1 DG A 4 -7.559 8.605 -8.058 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.813 7.528 -7.483 1.00 0.00 O ATOM 101 O5' DG A 4 -8.292 6.484 -9.175 1.00 0.00 O ATOM 102 C5' DG A 4 -9.373 6.454 -10.111 1.00 0.00 C ATOM 103 C4' DG A 4 -8.939 5.869 -11.452 1.00 0.00 C ATOM 104 O4' DG A 4 -7.979 6.746 -12.048 1.00 0.00 O ATOM 105 C3' DG A 4 -8.301 4.492 -11.342 1.00 0.00 C ATOM 106 O3' DG A 4 -8.694 3.697 -12.466 1.00 0.00 O ATOM 107 C2' DG A 4 -6.803 4.757 -11.395 1.00 0.00 C ATOM 108 C1' DG A 4 -6.687 6.126 -12.063 1.00 0.00 C ATOM 109 N9 DG A 4 -5.750 7.041 -11.386 1.00 0.00 N ATOM 110 C8 DG A 4 -5.995 7.939 -10.386 1.00 0.00 C ATOM 111 N7 DG A 4 -4.960 8.616 -9.988 1.00 0.00 N ATOM 112 C5 DG A 4 -3.931 8.129 -10.792 1.00 0.00 C ATOM 113 C6 DG A 4 -2.556 8.485 -10.824 1.00 0.00 C ATOM 114 O6 DG A 4 -1.968 9.317 -10.138 1.00 0.00 O ATOM 115 N1 DG A 4 -1.865 7.754 -11.781 1.00 0.00 N ATOM 116 C2 DG A 4 -2.422 6.799 -12.606 1.00 0.00 C ATOM 117 N2 DG A 4 -1.596 6.202 -13.465 1.00 0.00 N ATOM 118 N3 DG A 4 -3.715 6.461 -12.577 1.00 0.00 N ATOM 119 C4 DG A 4 -4.407 7.163 -11.650 1.00 0.00 C ATOM 0 H5' DG A 4 -9.754 7.464 -10.260 1.00 0.00 H new ATOM 0 H5'' DG A 4 -10.192 5.862 -9.703 1.00 0.00 H new ATOM 0 H4' DG A 4 -9.843 5.766 -12.052 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.596 3.961 -10.437 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.364 4.762 -10.397 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.283 3.989 -11.968 1.00 0.00 H new ATOM 0 H1' DG A 4 -6.307 5.952 -13.070 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.977 8.076 -9.958 1.00 0.00 H new ATOM 0 H1 DG A 4 -0.867 7.938 -11.882 1.00 0.00 H new ATOM 0 H21 DG A 4 -1.951 5.487 -14.101 1.00 0.00 H new ATOM 0 H22 DG A 4 -0.609 6.460 -13.487 1.00 0.00 H new ATOM 131 P DC A 5 -9.728 2.475 -12.283 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.052 1.937 -13.623 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.816 2.923 -11.386 1.00 0.00 O ATOM 134 O5' DC A 5 -8.847 1.378 -11.498 1.00 0.00 O ATOM 135 C5' DC A 5 -7.651 0.857 -12.084 1.00 0.00 C ATOM 136 C4' DC A 5 -6.948 -0.135 -11.155 1.00 0.00 C ATOM 137 O4' DC A 5 -6.558 0.460 -9.932 1.00 0.00 O ATOM 138 C3' DC A 5 -7.802 -1.346 -10.773 1.00 0.00 C ATOM 139 O3' DC A 5 -7.458 -2.444 -11.629 1.00 0.00 O ATOM 140 C2' DC A 5 -7.409 -1.678 -9.344 1.00 0.00 C ATOM 141 C1' DC A 5 -6.354 -0.630 -9.029 1.00 0.00 C ATOM 142 N1 DC A 5 -6.404 -0.104 -7.649 1.00 0.00 N ATOM 143 C2 DC A 5 -5.992 -0.951 -6.633 1.00 0.00 C ATOM 144 O2 DC A 5 -5.616 -2.090 -6.899 1.00 0.00 O ATOM 145 N3 DC A 5 -6.001 -0.480 -5.355 1.00 0.00 N ATOM 146 C4 DC A 5 -6.397 0.771 -5.084 1.00 0.00 C ATOM 147 N4 DC A 5 -6.389 1.202 -3.821 1.00 0.00 N ATOM 148 C5 DC A 5 -6.823 1.650 -6.132 1.00 0.00 C ATOM 149 C6 DC A 5 -6.812 1.173 -7.394 1.00 0.00 C ATOM 0 H5' DC A 5 -6.974 1.678 -12.318 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.893 0.364 -13.026 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.088 -0.457 -11.743 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.870 -1.151 -10.868 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.259 -1.612 -8.665 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.012 -2.689 -9.259 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.381 -1.109 -9.135 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.689 2.153 -3.605 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.083 0.581 -3.072 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.142 2.660 -5.919 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.129 1.807 -8.209 1.00 0.00 H new ATOM 161 P DG A 6 -8.534 -3.597 -11.966 1.00 0.00 P ATOM 162 OP1 DG A 6 -7.967 -4.465 -13.022 1.00 0.00 O ATOM 163 OP2 DG A 6 -9.851 -2.953 -12.174 1.00 0.00 O ATOM 164 O5' DG A 6 -8.595 -4.447 -10.595 1.00 0.00 O ATOM 165 C5' DG A 6 -9.669 -5.365 -10.360 1.00 0.00 C ATOM 166 C4' DG A 6 -9.595 -6.007 -8.974 1.00 0.00 C ATOM 167 O4' DG A 6 -8.418 -6.792 -8.832 1.00 0.00 O ATOM 168 C3' DG A 6 -9.559 -5.023 -7.818 1.00 0.00 C ATOM 169 O3' DG A 6 -10.891 -4.649 -7.459 1.00 0.00 O ATOM 170 C2' DG A 6 -8.930 -5.835 -6.694 1.00 0.00 C ATOM 171 C1' DG A 6 -8.118 -6.901 -7.434 1.00 0.00 C ATOM 172 N9 DG A 6 -6.667 -6.744 -7.264 1.00 0.00 N ATOM 173 C8 DG A 6 -5.782 -6.038 -8.024 1.00 0.00 C ATOM 174 N7 DG A 6 -4.553 -6.067 -7.608 1.00 0.00 N ATOM 175 C5 DG A 6 -4.623 -6.865 -6.466 1.00 0.00 C ATOM 176 C6 DG A 6 -3.595 -7.263 -5.571 1.00 0.00 C ATOM 177 O6 DG A 6 -2.400 -6.983 -5.610 1.00 0.00 O ATOM 178 N1 DG A 6 -4.092 -8.064 -4.551 1.00 0.00 N ATOM 179 C2 DG A 6 -5.410 -8.438 -4.406 1.00 0.00 C ATOM 180 N2 DG A 6 -5.693 -9.212 -3.358 1.00 0.00 N ATOM 181 N3 DG A 6 -6.379 -8.066 -5.247 1.00 0.00 N ATOM 182 C4 DG A 6 -5.914 -7.284 -6.249 1.00 0.00 C ATOM 0 H5' DG A 6 -9.649 -6.146 -11.120 1.00 0.00 H new ATOM 0 H5'' DG A 6 -10.620 -4.842 -10.465 1.00 0.00 H new ATOM 0 H4' DG A 6 -10.511 -6.595 -8.922 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.017 -4.105 -8.046 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.296 -5.217 -6.059 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.687 -6.282 -6.050 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.392 -7.871 -7.019 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.082 -5.494 -8.908 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.429 -8.402 -3.854 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.651 -9.522 -3.197 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.951 -9.494 -2.717 1.00 0.00 H new ATOM 194 P DG A 7 -11.201 -3.184 -6.864 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.668 -2.983 -6.883 1.00 0.00 O ATOM 196 OP2 DG A 7 -10.313 -2.211 -7.536 1.00 0.00 O ATOM 197 O5' DG A 7 -10.728 -3.320 -5.327 1.00 0.00 O ATOM 198 C5' DG A 7 -11.421 -4.206 -4.449 1.00 0.00 C ATOM 199 C4' DG A 7 -10.970 -4.067 -2.993 1.00 0.00 C ATOM 200 O4' DG A 7 -9.683 -4.659 -2.736 1.00 0.00 O ATOM 201 C3' DG A 7 -10.863 -2.627 -2.475 1.00 0.00 C ATOM 202 O3' DG A 7 -12.051 -2.302 -1.741 1.00 0.00 O ATOM 203 C2' DG A 7 -9.660 -2.668 -1.523 1.00 0.00 C ATOM 204 C1' DG A 7 -9.386 -4.161 -1.441 1.00 0.00 C ATOM 205 N9 DG A 7 -8.010 -4.551 -1.046 1.00 0.00 N ATOM 206 C8 DG A 7 -7.597 -5.003 0.173 1.00 0.00 C ATOM 207 N7 DG A 7 -6.330 -5.248 0.279 1.00 0.00 N ATOM 208 C5 DG A 7 -5.834 -4.937 -0.980 1.00 0.00 C ATOM 209 C6 DG A 7 -4.499 -5.009 -1.463 1.00 0.00 C ATOM 210 O6 DG A 7 -3.489 -5.357 -0.855 1.00 0.00 O ATOM 211 N1 DG A 7 -4.412 -4.613 -2.785 1.00 0.00 N ATOM 212 C2 DG A 7 -5.477 -4.196 -3.559 1.00 0.00 C ATOM 213 N2 DG A 7 -5.189 -3.858 -4.815 1.00 0.00 N ATOM 214 N3 DG A 7 -6.744 -4.122 -3.110 1.00 0.00 N ATOM 215 C4 DG A 7 -6.849 -4.507 -1.813 1.00 0.00 C ATOM 0 H5' DG A 7 -11.263 -5.233 -4.777 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.492 -4.011 -4.514 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.772 -4.590 -2.472 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.749 -1.889 -3.269 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.807 -2.116 -1.917 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.894 -2.240 -0.548 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.999 -4.581 -0.643 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.282 -5.147 0.996 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.491 -4.630 -3.222 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.930 -3.541 -5.441 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.228 -3.916 -5.151 1.00 0.00 H new ATOM 227 P DG A 8 -12.324 -0.801 -1.230 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.748 -0.702 -0.840 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.766 0.136 -2.230 1.00 0.00 O ATOM 230 O5' DG A 8 -11.427 -0.712 0.105 1.00 0.00 O ATOM 231 C5' DG A 8 -11.703 -1.569 1.216 1.00 0.00 C ATOM 232 C4' DG A 8 -10.548 -1.605 2.211 1.00 0.00 C ATOM 233 O4' DG A 8 -9.367 -2.094 1.603 1.00 0.00 O ATOM 234 C3' DG A 8 -10.183 -0.248 2.795 1.00 0.00 C ATOM 235 O3' DG A 8 -10.884 -0.046 4.025 1.00 0.00 O ATOM 236 C2' DG A 8 -8.685 -0.354 3.074 1.00 0.00 C ATOM 237 C1' DG A 8 -8.277 -1.680 2.426 1.00 0.00 C ATOM 238 N9 DG A 8 -7.069 -1.600 1.584 1.00 0.00 N ATOM 239 C8 DG A 8 -6.951 -1.248 0.270 1.00 0.00 C ATOM 240 N7 DG A 8 -5.737 -1.259 -0.197 1.00 0.00 N ATOM 241 C5 DG A 8 -4.976 -1.653 0.903 1.00 0.00 C ATOM 242 C6 DG A 8 -3.572 -1.848 1.021 1.00 0.00 C ATOM 243 O6 DG A 8 -2.706 -1.704 0.159 1.00 0.00 O ATOM 244 N1 DG A 8 -3.219 -2.249 2.303 1.00 0.00 N ATOM 245 C2 DG A 8 -4.103 -2.439 3.346 1.00 0.00 C ATOM 246 N2 DG A 8 -3.576 -2.830 4.506 1.00 0.00 N ATOM 247 N3 DG A 8 -5.421 -2.253 3.240 1.00 0.00 N ATOM 248 C4 DG A 8 -5.786 -1.863 1.997 1.00 0.00 C ATOM 0 H5' DG A 8 -11.902 -2.578 0.855 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.606 -1.228 1.721 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.909 -2.255 3.008 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.436 0.578 2.131 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.139 0.485 2.643 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.478 -0.353 4.144 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.043 -2.379 3.229 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.803 -0.980 -0.337 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.230 -2.416 2.488 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.179 -2.987 5.313 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.569 -2.973 4.586 1.00 0.00 H new ATOM 260 P DG A 9 -10.790 1.368 4.786 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.881 1.432 5.784 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.662 2.431 3.766 1.00 0.00 O ATOM 263 O5' DG A 9 -9.389 1.254 5.575 1.00 0.00 O ATOM 264 C5' DG A 9 -9.154 0.181 6.494 1.00 0.00 C ATOM 265 C4' DG A 9 -7.679 0.085 6.893 1.00 0.00 C ATOM 266 O4' DG A 9 -6.850 0.101 5.711 1.00 0.00 O ATOM 267 C3' DG A 9 -7.185 1.252 7.766 1.00 0.00 C ATOM 268 O3' DG A 9 -6.263 0.765 8.751 1.00 0.00 O ATOM 269 C2' DG A 9 -6.418 2.110 6.780 1.00 0.00 C ATOM 270 C1' DG A 9 -5.784 1.008 5.971 1.00 0.00 C ATOM 271 N9 DG A 9 -5.158 1.415 4.703 1.00 0.00 N ATOM 272 C8 DG A 9 -5.718 1.891 3.554 1.00 0.00 C ATOM 273 N7 DG A 9 -4.869 2.172 2.607 1.00 0.00 N ATOM 274 C5 DG A 9 -3.636 1.853 3.181 1.00 0.00 C ATOM 275 C6 DG A 9 -2.321 1.943 2.643 1.00 0.00 C ATOM 276 O6 DG A 9 -1.976 2.336 1.530 1.00 0.00 O ATOM 277 N1 DG A 9 -1.366 1.517 3.561 1.00 0.00 N ATOM 278 C2 DG A 9 -1.640 1.061 4.835 1.00 0.00 C ATOM 279 N2 DG A 9 -0.594 0.690 5.573 1.00 0.00 N ATOM 280 N3 DG A 9 -2.869 0.979 5.338 1.00 0.00 N ATOM 281 C4 DG A 9 -3.812 1.390 4.462 1.00 0.00 C ATOM 0 H5' DG A 9 -9.470 -0.759 6.043 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.763 0.327 7.386 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.603 -0.841 7.463 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.992 1.770 8.284 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.066 2.753 6.185 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.685 2.756 7.262 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.951 0.593 6.539 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.783 2.025 3.438 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.389 1.544 3.270 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.736 0.345 6.522 1.00 0.00 H new ATOM 0 H22 DG A 9 0.349 0.751 5.189 1.00 0.00 H new ATOM 293 P DC A 10 -6.768 0.125 10.136 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.020 0.805 10.534 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.620 0.083 11.071 1.00 0.00 O ATOM 296 O5' DC A 10 -7.121 -1.386 9.711 1.00 0.00 O ATOM 297 C5' DC A 10 -6.074 -2.326 9.450 1.00 0.00 C ATOM 298 C4' DC A 10 -6.625 -3.737 9.280 1.00 0.00 C ATOM 299 O4' DC A 10 -7.217 -4.164 10.510 1.00 0.00 O ATOM 300 C3' DC A 10 -7.693 -3.846 8.204 1.00 0.00 C ATOM 301 O3' DC A 10 -7.641 -5.142 7.605 1.00 0.00 O ATOM 302 C2' DC A 10 -8.994 -3.684 8.974 1.00 0.00 C ATOM 303 C1' DC A 10 -8.644 -4.195 10.370 1.00 0.00 C ATOM 304 N1 DC A 10 -9.213 -3.392 11.470 1.00 0.00 N ATOM 305 C2 DC A 10 -10.487 -3.718 11.908 1.00 0.00 C ATOM 306 O2 DC A 10 -11.103 -4.638 11.376 1.00 0.00 O ATOM 307 N3 DC A 10 -11.021 -2.999 12.933 1.00 0.00 N ATOM 308 C4 DC A 10 -10.335 -2.001 13.506 1.00 0.00 C ATOM 309 N4 DC A 10 -10.888 -1.320 14.510 1.00 0.00 N ATOM 310 C5 DC A 10 -9.020 -1.659 13.056 1.00 0.00 C ATOM 311 C6 DC A 10 -8.500 -2.376 12.040 1.00 0.00 C ATOM 0 H5' DC A 10 -5.356 -2.310 10.270 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.536 -2.033 8.549 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.780 -4.359 8.985 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.576 -3.114 7.405 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.321 -2.644 8.997 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.802 -4.262 8.525 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.067 -5.196 10.449 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.375 -0.558 14.953 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.825 -1.561 14.835 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.464 -0.855 13.514 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.511 -2.145 11.673 1.00 0.00 H new ATOM 323 P DG A 11 -6.813 -5.376 6.245 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.684 -4.076 5.550 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.399 -6.538 5.539 1.00 0.00 O ATOM 326 O5' DG A 11 -5.356 -5.799 6.788 1.00 0.00 O ATOM 327 C5' DG A 11 -5.207 -6.962 7.601 1.00 0.00 C ATOM 328 C4' DG A 11 -3.742 -7.353 7.780 1.00 0.00 C ATOM 329 O4' DG A 11 -3.175 -7.823 6.549 1.00 0.00 O ATOM 330 C3' DG A 11 -2.839 -6.226 8.251 1.00 0.00 C ATOM 331 O3' DG A 11 -2.825 -6.181 9.684 1.00 0.00 O ATOM 332 C2' DG A 11 -1.460 -6.627 7.735 1.00 0.00 C ATOM 333 C1' DG A 11 -1.756 -7.710 6.690 1.00 0.00 C ATOM 334 N9 DG A 11 -1.177 -7.425 5.364 1.00 0.00 N ATOM 335 C8 DG A 11 0.116 -7.570 4.955 1.00 0.00 C ATOM 336 N7 DG A 11 0.350 -7.228 3.725 1.00 0.00 N ATOM 337 C5 DG A 11 -0.898 -6.814 3.267 1.00 0.00 C ATOM 338 C6 DG A 11 -1.279 -6.325 1.990 1.00 0.00 C ATOM 339 O6 DG A 11 -0.575 -6.159 0.997 1.00 0.00 O ATOM 340 N1 DG A 11 -2.632 -6.021 1.943 1.00 0.00 N ATOM 341 C2 DG A 11 -3.514 -6.168 2.993 1.00 0.00 C ATOM 342 N2 DG A 11 -4.777 -5.817 2.753 1.00 0.00 N ATOM 343 N3 DG A 11 -3.161 -6.630 4.199 1.00 0.00 N ATOM 344 C4 DG A 11 -1.843 -6.932 4.264 1.00 0.00 C ATOM 0 H5' DG A 11 -5.751 -7.792 7.149 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.656 -6.781 8.578 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.777 -8.126 8.547 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.160 -5.246 7.897 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.937 -5.779 7.294 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.829 -7.008 8.538 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.299 -8.633 7.046 1.00 0.00 H new ATOM 0 H8 DG A 11 0.891 -7.943 5.609 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.003 -5.661 1.064 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.478 -5.902 3.489 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.042 -5.463 1.834 1.00 0.00 H new ATOM 356 P DG A 12 -2.640 -4.780 10.453 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.696 -5.038 11.909 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.560 -3.798 9.841 1.00 0.00 O ATOM 359 O5' DG A 12 -1.131 -4.368 10.072 1.00 0.00 O ATOM 360 C5' DG A 12 -0.030 -5.157 10.532 1.00 0.00 C ATOM 361 C4' DG A 12 1.235 -4.886 9.722 1.00 0.00 C ATOM 362 O4' DG A 12 1.009 -5.135 8.342 1.00 0.00 O ATOM 363 C3' DG A 12 1.733 -3.449 9.807 1.00 0.00 C ATOM 364 O3' DG A 12 2.665 -3.330 10.885 1.00 0.00 O ATOM 365 C2' DG A 12 2.446 -3.220 8.478 1.00 0.00 C ATOM 366 C1' DG A 12 1.863 -4.295 7.557 1.00 0.00 C ATOM 367 N9 DG A 12 1.060 -3.759 6.441 1.00 0.00 N ATOM 368 C8 DG A 12 -0.273 -3.464 6.403 1.00 0.00 C ATOM 369 N7 DG A 12 -0.702 -2.995 5.270 1.00 0.00 N ATOM 370 C5 DG A 12 0.445 -2.976 4.479 1.00 0.00 C ATOM 371 C6 DG A 12 0.613 -2.562 3.130 1.00 0.00 C ATOM 372 O6 DG A 12 -0.233 -2.116 2.358 1.00 0.00 O ATOM 373 N1 DG A 12 1.931 -2.704 2.714 1.00 0.00 N ATOM 374 C2 DG A 12 2.960 -3.186 3.496 1.00 0.00 C ATOM 375 N2 DG A 12 4.160 -3.254 2.918 1.00 0.00 N ATOM 376 N3 DG A 12 2.806 -3.574 4.765 1.00 0.00 N ATOM 377 C4 DG A 12 1.528 -3.442 5.190 1.00 0.00 C ATOM 0 H5' DG A 12 -0.286 -6.214 10.464 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.158 -4.942 11.584 1.00 0.00 H new ATOM 0 H4' DG A 12 1.980 -5.552 10.156 1.00 0.00 H new ATOM 0 H3' DG A 12 0.932 -2.731 9.982 1.00 0.00 H new ATOM 0 H2' DG A 12 2.258 -2.218 8.091 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.526 -3.325 8.581 1.00 0.00 H new ATOM 0 H1' DG A 12 2.708 -4.827 7.120 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.923 -3.610 7.253 1.00 0.00 H new ATOM 0 H1 DG A 12 2.155 -2.431 1.757 1.00 0.00 H new ATOM 0 H21 DG A 12 4.961 -3.602 3.445 1.00 0.00 H new ATOM 0 H22 DG A 12 4.277 -2.958 1.949 1.00 0.00 H new ATOM 389 P DG A 13 3.055 -1.881 11.464 1.00 0.00 P ATOM 390 OP1 DG A 13 3.769 -2.072 12.747 1.00 0.00 O ATOM 391 OP2 DG A 13 1.852 -1.019 11.411 1.00 0.00 O ATOM 392 O5' DG A 13 4.112 -1.343 10.374 1.00 0.00 O ATOM 393 C5' DG A 13 5.330 -2.055 10.141 1.00 0.00 C ATOM 394 C4' DG A 13 6.050 -1.562 8.887 1.00 0.00 C ATOM 395 O4' DG A 13 5.199 -1.626 7.762 1.00 0.00 O ATOM 396 C3' DG A 13 6.524 -0.118 8.963 1.00 0.00 C ATOM 397 O3' DG A 13 7.867 -0.083 9.449 1.00 0.00 O ATOM 398 C2' DG A 13 6.489 0.367 7.514 1.00 0.00 C ATOM 399 C1' DG A 13 5.629 -0.671 6.790 1.00 0.00 C ATOM 400 N9 DG A 13 4.429 -0.114 6.138 1.00 0.00 N ATOM 401 C8 DG A 13 3.182 0.094 6.655 1.00 0.00 C ATOM 402 N7 DG A 13 2.322 0.612 5.829 1.00 0.00 N ATOM 403 C5 DG A 13 3.059 0.764 4.655 1.00 0.00 C ATOM 404 C6 DG A 13 2.665 1.282 3.392 1.00 0.00 C ATOM 405 O6 DG A 13 1.568 1.723 3.055 1.00 0.00 O ATOM 406 N1 DG A 13 3.714 1.256 2.481 1.00 0.00 N ATOM 407 C2 DG A 13 4.984 0.791 2.750 1.00 0.00 C ATOM 408 N2 DG A 13 5.859 0.840 1.745 1.00 0.00 N ATOM 409 N3 DG A 13 5.358 0.304 3.937 1.00 0.00 N ATOM 410 C4 DG A 13 4.350 0.321 4.838 1.00 0.00 C ATOM 0 H5' DG A 13 5.115 -3.119 10.041 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.986 -1.943 11.004 1.00 0.00 H new ATOM 0 H4' DG A 13 6.914 -2.221 8.803 1.00 0.00 H new ATOM 0 H3' DG A 13 5.913 0.494 9.626 1.00 0.00 H new ATOM 0 H2' DG A 13 6.056 1.365 7.439 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.491 0.421 7.088 1.00 0.00 H new ATOM 0 H1' DG A 13 6.243 -1.102 5.999 1.00 0.00 H new ATOM 0 H8 DG A 13 2.929 -0.154 7.675 1.00 0.00 H new ATOM 0 H1 DG A 13 3.531 1.608 1.541 1.00 0.00 H new ATOM 0 H21 DG A 13 6.814 0.510 1.884 1.00 0.00 H new ATOM 0 H22 DG A 13 5.573 1.207 0.837 1.00 0.00 H new ATOM 422 P DG A 14 8.413 1.211 10.233 1.00 0.00 P ATOM 423 OP1 DG A 14 9.714 0.867 10.850 1.00 0.00 O ATOM 424 OP2 DG A 14 7.314 1.737 11.075 1.00 0.00 O ATOM 425 O5' DG A 14 8.683 2.257 9.039 1.00 0.00 O ATOM 426 C5' DG A 14 9.580 1.930 7.972 1.00 0.00 C ATOM 427 C4' DG A 14 9.292 2.751 6.718 1.00 0.00 C ATOM 428 O4' DG A 14 7.878 2.683 6.455 1.00 0.00 O ATOM 429 C3' DG A 14 9.674 4.223 6.849 1.00 0.00 C ATOM 430 O3' DG A 14 10.421 4.609 5.691 1.00 0.00 O ATOM 431 C2' DG A 14 8.364 5.002 6.884 1.00 0.00 C ATOM 432 C1' DG A 14 7.279 3.969 6.627 1.00 0.00 C ATOM 433 N9 DG A 14 6.301 3.856 7.721 1.00 0.00 N ATOM 434 C8 DG A 14 6.515 3.610 9.045 1.00 0.00 C ATOM 435 N7 DG A 14 5.443 3.562 9.777 1.00 0.00 N ATOM 436 C5 DG A 14 4.421 3.797 8.859 1.00 0.00 C ATOM 437 C6 DG A 14 3.017 3.866 9.059 1.00 0.00 C ATOM 438 O6 DG A 14 2.388 3.736 10.107 1.00 0.00 O ATOM 439 N1 DG A 14 2.346 4.118 7.869 1.00 0.00 N ATOM 440 C2 DG A 14 2.949 4.284 6.640 1.00 0.00 C ATOM 441 N2 DG A 14 2.136 4.512 5.608 1.00 0.00 N ATOM 442 N3 DG A 14 4.269 4.224 6.450 1.00 0.00 N ATOM 443 C4 DG A 14 4.940 3.977 7.597 1.00 0.00 C ATOM 0 H5' DG A 14 9.496 0.869 7.739 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.607 2.105 8.294 1.00 0.00 H new ATOM 0 H4' DG A 14 9.895 2.330 5.913 1.00 0.00 H new ATOM 0 H3' DG A 14 10.274 4.411 7.739 1.00 0.00 H new ATOM 0 H2' DG A 14 8.222 5.491 7.848 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.351 5.784 6.125 1.00 0.00 H new ATOM 0 H1' DG A 14 6.751 4.304 5.734 1.00 0.00 H new ATOM 0 H8 DG A 14 7.504 3.466 9.455 1.00 0.00 H new ATOM 0 H1 DG A 14 1.329 4.185 7.907 1.00 0.00 H new ATOM 0 H21 DG A 14 2.523 4.643 4.673 1.00 0.00 H new ATOM 0 H22 DG A 14 1.127 4.555 5.753 1.00 0.00 H new ATOM 455 P DC A 15 12.016 4.814 5.767 1.00 0.00 P ATOM 456 OP1 DC A 15 12.344 5.438 7.068 1.00 0.00 O ATOM 457 OP2 DC A 15 12.460 5.452 4.508 1.00 0.00 O ATOM 458 O5' DC A 15 12.560 3.300 5.782 1.00 0.00 O ATOM 459 C5' DC A 15 12.997 2.681 4.569 1.00 0.00 C ATOM 460 C4' DC A 15 13.681 1.345 4.837 1.00 0.00 C ATOM 461 O4' DC A 15 14.828 1.558 5.665 1.00 0.00 O ATOM 462 C3' DC A 15 12.797 0.332 5.549 1.00 0.00 C ATOM 463 O3' DC A 15 13.170 -0.993 5.160 1.00 0.00 O ATOM 464 C2' DC A 15 13.138 0.543 7.012 1.00 0.00 C ATOM 465 C1' DC A 15 14.595 0.988 6.960 1.00 0.00 C ATOM 466 N1 DC A 15 14.954 2.001 7.969 1.00 0.00 N ATOM 467 C2 DC A 15 15.370 1.544 9.207 1.00 0.00 C ATOM 468 O2 DC A 15 15.418 0.336 9.431 1.00 0.00 O ATOM 469 N3 DC A 15 15.716 2.459 10.152 1.00 0.00 N ATOM 470 C4 DC A 15 15.657 3.771 9.893 1.00 0.00 C ATOM 471 N4 DC A 15 16.004 4.639 10.844 1.00 0.00 N ATOM 472 C5 DC A 15 15.228 4.251 8.616 1.00 0.00 C ATOM 473 C6 DC A 15 14.887 3.336 7.686 1.00 0.00 C ATOM 0 H5' DC A 15 13.686 3.346 4.048 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.143 2.528 3.910 1.00 0.00 H new ATOM 0 H4' DC A 15 13.937 0.941 3.858 1.00 0.00 H new ATOM 0 H3' DC A 15 11.737 0.453 5.326 1.00 0.00 H new ATOM 0 H2' DC A 15 12.501 1.299 7.471 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.015 -0.372 7.592 1.00 0.00 H new ATOM 0 H1' DC A 15 15.205 0.108 7.165 1.00 0.00 H new ATOM 0 H41 DC A 15 15.963 5.641 10.659 1.00 0.00 H new ATOM 0 H42 DC A 15 16.310 4.301 11.756 1.00 0.00 H new ATOM 0 H5 DC A 15 15.179 5.309 8.404 1.00 0.00 H new ATOM 0 H6 DC A 15 14.558 3.661 6.710 1.00 0.00 H new ATOM 485 P DG A 16 12.542 -1.666 3.841 1.00 0.00 P ATOM 486 OP1 DG A 16 12.888 -3.106 3.851 1.00 0.00 O ATOM 487 OP2 DG A 16 12.906 -0.829 2.676 1.00 0.00 O ATOM 488 O5' DG A 16 10.958 -1.525 4.094 1.00 0.00 O ATOM 489 C5' DG A 16 10.357 -2.060 5.280 1.00 0.00 C ATOM 490 C4' DG A 16 8.843 -1.881 5.277 1.00 0.00 C ATOM 491 O4' DG A 16 8.558 -0.478 5.205 1.00 0.00 O ATOM 492 C3' DG A 16 8.149 -2.567 4.108 1.00 0.00 C ATOM 493 O3' DG A 16 6.985 -3.252 4.586 1.00 0.00 O ATOM 494 C2' DG A 16 7.728 -1.444 3.165 1.00 0.00 C ATOM 495 C1' DG A 16 8.003 -0.151 3.929 1.00 0.00 C ATOM 496 N9 DG A 16 8.955 0.747 3.252 1.00 0.00 N ATOM 497 C8 DG A 16 10.147 0.446 2.656 1.00 0.00 C ATOM 498 N7 DG A 16 10.769 1.454 2.123 1.00 0.00 N ATOM 499 C5 DG A 16 9.917 2.527 2.383 1.00 0.00 C ATOM 500 C6 DG A 16 10.055 3.900 2.044 1.00 0.00 C ATOM 501 O6 DG A 16 10.970 4.448 1.433 1.00 0.00 O ATOM 502 N1 DG A 16 8.975 4.647 2.497 1.00 0.00 N ATOM 503 C2 DG A 16 7.895 4.138 3.190 1.00 0.00 C ATOM 504 N2 DG A 16 6.958 5.017 3.550 1.00 0.00 N ATOM 505 N3 DG A 16 7.761 2.847 3.508 1.00 0.00 N ATOM 506 C4 DG A 16 8.805 2.103 3.075 1.00 0.00 C ATOM 0 H5' DG A 16 10.780 -1.567 6.156 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.598 -3.120 5.363 1.00 0.00 H new ATOM 0 H4' DG A 16 8.464 -2.341 6.190 1.00 0.00 H new ATOM 0 H3' DG A 16 8.796 -3.292 3.614 1.00 0.00 H new ATOM 0 H2' DG A 16 8.294 -1.479 2.234 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.674 -1.528 2.900 1.00 0.00 H new ATOM 0 H1' DG A 16 7.048 0.370 4.004 1.00 0.00 H new ATOM 0 H8 DG A 16 10.544 -0.558 2.630 1.00 0.00 H new ATOM 0 H1 DG A 16 8.980 5.648 2.303 1.00 0.00 H new ATOM 0 H21 DG A 16 6.135 4.703 4.064 1.00 0.00 H new ATOM 0 H22 DG A 16 7.065 6.003 3.311 1.00 0.00 H new ATOM 518 P DG A 17 7.014 -4.840 4.849 1.00 0.00 P ATOM 519 OP1 DG A 17 5.713 -5.240 5.427 1.00 0.00 O ATOM 520 OP2 DG A 17 8.273 -5.171 5.560 1.00 0.00 O ATOM 521 O5' DG A 17 7.100 -5.439 3.354 1.00 0.00 O ATOM 522 C5' DG A 17 7.813 -6.649 3.098 1.00 0.00 C ATOM 523 C4' DG A 17 8.268 -6.741 1.643 1.00 0.00 C ATOM 524 O4' DG A 17 7.233 -7.333 0.829 1.00 0.00 O ATOM 525 C3' DG A 17 8.633 -5.400 1.010 1.00 0.00 C ATOM 526 O3' DG A 17 10.060 -5.257 1.002 1.00 0.00 O ATOM 527 C2' DG A 17 8.114 -5.470 -0.429 1.00 0.00 C ATOM 528 C1' DG A 17 7.333 -6.786 -0.485 1.00 0.00 C ATOM 529 N9 DG A 17 5.968 -6.630 -1.009 1.00 0.00 N ATOM 530 C8 DG A 17 5.570 -6.469 -2.300 1.00 0.00 C ATOM 531 N7 DG A 17 4.289 -6.350 -2.473 1.00 0.00 N ATOM 532 C5 DG A 17 3.782 -6.438 -1.178 1.00 0.00 C ATOM 533 C6 DG A 17 2.439 -6.375 -0.719 1.00 0.00 C ATOM 534 O6 DG A 17 1.414 -6.228 -1.382 1.00 0.00 O ATOM 535 N1 DG A 17 2.364 -6.505 0.661 1.00 0.00 N ATOM 536 C2 DG A 17 3.445 -6.674 1.500 1.00 0.00 C ATOM 537 N2 DG A 17 3.172 -6.772 2.800 1.00 0.00 N ATOM 538 N3 DG A 17 4.712 -6.736 1.072 1.00 0.00 N ATOM 539 C4 DG A 17 4.805 -6.610 -0.273 1.00 0.00 C ATOM 0 H5' DG A 17 7.178 -7.502 3.335 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.681 -6.706 3.755 1.00 0.00 H new ATOM 0 H4' DG A 17 9.169 -7.354 1.673 1.00 0.00 H new ATOM 0 H3' DG A 17 8.206 -4.557 1.553 1.00 0.00 H new ATOM 0 H2' DG A 17 7.476 -4.618 -0.664 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.933 -5.462 -1.148 1.00 0.00 H new ATOM 0 H1' DG A 17 7.882 -7.441 -1.161 1.00 0.00 H new ATOM 0 H8 DG A 17 6.270 -6.442 -3.122 1.00 0.00 H new ATOM 0 H1 DG A 17 1.438 -6.473 1.087 1.00 0.00 H new ATOM 0 H21 DG A 17 3.929 -6.898 3.472 1.00 0.00 H new ATOM 0 H22 DG A 17 2.206 -6.721 3.123 1.00 0.00 H new ATOM 551 P DG A 18 10.742 -3.861 1.421 1.00 0.00 P ATOM 552 OP1 DG A 18 12.210 -4.004 1.288 1.00 0.00 O ATOM 553 OP2 DG A 18 10.157 -3.436 2.714 1.00 0.00 O ATOM 554 O5' DG A 18 10.224 -2.865 0.263 1.00 0.00 O ATOM 555 C5' DG A 18 10.686 -3.027 -1.082 1.00 0.00 C ATOM 556 C4' DG A 18 9.747 -2.377 -2.094 1.00 0.00 C ATOM 557 O4' DG A 18 8.468 -2.985 -2.022 1.00 0.00 O ATOM 558 C3' DG A 18 9.525 -0.899 -1.871 1.00 0.00 C ATOM 559 O3' DG A 18 10.529 -0.152 -2.559 1.00 0.00 O ATOM 560 C2' DG A 18 8.163 -0.659 -2.514 1.00 0.00 C ATOM 561 C1' DG A 18 7.505 -2.038 -2.511 1.00 0.00 C ATOM 562 N9 DG A 18 6.303 -2.113 -1.656 1.00 0.00 N ATOM 563 C8 DG A 18 6.205 -2.395 -0.324 1.00 0.00 C ATOM 564 N7 DG A 18 4.999 -2.353 0.162 1.00 0.00 N ATOM 565 C5 DG A 18 4.220 -2.014 -0.943 1.00 0.00 C ATOM 566 C6 DG A 18 2.815 -1.819 -1.046 1.00 0.00 C ATOM 567 O6 DG A 18 1.966 -1.907 -0.161 1.00 0.00 O ATOM 568 N1 DG A 18 2.439 -1.491 -2.342 1.00 0.00 N ATOM 569 C2 DG A 18 3.306 -1.364 -3.410 1.00 0.00 C ATOM 570 N2 DG A 18 2.760 -1.048 -4.582 1.00 0.00 N ATOM 571 N3 DG A 18 4.626 -1.544 -3.316 1.00 0.00 N ATOM 572 C4 DG A 18 5.012 -1.866 -2.061 1.00 0.00 C ATOM 0 H5' DG A 18 10.781 -4.089 -1.307 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.680 -2.591 -1.178 1.00 0.00 H new ATOM 0 H4' DG A 18 10.233 -2.515 -3.060 1.00 0.00 H new ATOM 0 H3' DG A 18 9.568 -0.602 -0.823 1.00 0.00 H new ATOM 0 H2' DG A 18 7.576 0.064 -1.948 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.263 -0.267 -3.526 1.00 0.00 H new ATOM 0 H1' DG A 18 7.186 -2.252 -3.531 1.00 0.00 H new ATOM 0 H8 DG A 18 7.066 -2.635 0.282 1.00 0.00 H new ATOM 0 H1 DG A 18 1.447 -1.332 -2.519 1.00 0.00 H new ATOM 0 H21 DG A 18 3.350 -0.940 -5.407 1.00 0.00 H new ATOM 0 H22 DG A 18 1.752 -0.913 -4.655 1.00 0.00 H new ATOM 584 P DG A 19 10.792 1.386 -2.176 1.00 0.00 P ATOM 585 OP1 DG A 19 12.049 1.819 -2.827 1.00 0.00 O ATOM 586 OP2 DG A 19 10.635 1.524 -0.711 1.00 0.00 O ATOM 587 O5' DG A 19 9.560 2.140 -2.895 1.00 0.00 O ATOM 588 C5' DG A 19 9.467 2.167 -4.323 1.00 0.00 C ATOM 589 C4' DG A 19 8.133 2.735 -4.806 1.00 0.00 C ATOM 590 O4' DG A 19 7.056 1.959 -4.300 1.00 0.00 O ATOM 591 C3' DG A 19 7.864 4.158 -4.367 1.00 0.00 C ATOM 592 O3' DG A 19 8.425 5.079 -5.307 1.00 0.00 O ATOM 593 C2' DG A 19 6.344 4.243 -4.406 1.00 0.00 C ATOM 594 C1' DG A 19 5.886 2.793 -4.244 1.00 0.00 C ATOM 595 N9 DG A 19 5.196 2.535 -2.967 1.00 0.00 N ATOM 596 C8 DG A 19 5.719 2.175 -1.758 1.00 0.00 C ATOM 597 N7 DG A 19 4.852 2.049 -0.798 1.00 0.00 N ATOM 598 C5 DG A 19 3.641 2.348 -1.418 1.00 0.00 C ATOM 599 C6 DG A 19 2.324 2.379 -0.882 1.00 0.00 C ATOM 600 O6 DG A 19 1.965 2.147 0.271 1.00 0.00 O ATOM 601 N1 DG A 19 1.390 2.727 -1.847 1.00 0.00 N ATOM 602 C2 DG A 19 1.680 3.009 -3.167 1.00 0.00 C ATOM 603 N2 DG A 19 0.647 3.318 -3.948 1.00 0.00 N ATOM 604 N3 DG A 19 2.916 2.984 -3.673 1.00 0.00 N ATOM 605 C4 DG A 19 3.843 2.646 -2.746 1.00 0.00 C ATOM 0 H5' DG A 19 9.592 1.157 -4.712 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.283 2.767 -4.727 1.00 0.00 H new ATOM 0 H4' DG A 19 8.204 2.710 -5.893 1.00 0.00 H new ATOM 0 H3' DG A 19 8.292 4.399 -3.394 1.00 0.00 H new ATOM 0 H2' DG A 19 5.959 4.875 -3.605 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.992 4.670 -5.345 1.00 0.00 H new ATOM 0 H1' DG A 19 5.173 2.580 -5.041 1.00 0.00 H new ATOM 0 H8 DG A 19 6.776 2.007 -1.610 1.00 0.00 H new ATOM 0 H1 DG A 19 0.413 2.779 -1.559 1.00 0.00 H new ATOM 0 H21 DG A 19 0.799 3.536 -4.933 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.297 3.337 -3.562 1.00 0.00 H new ATOM 617 P DT A 20 8.934 6.523 -4.809 1.00 0.00 P ATOM 618 OP1 DT A 20 9.507 7.245 -5.967 1.00 0.00 O ATOM 619 OP2 DT A 20 9.743 6.325 -3.588 1.00 0.00 O ATOM 620 O5' DT A 20 7.561 7.249 -4.390 1.00 0.00 O ATOM 621 C5' DT A 20 6.568 7.525 -5.377 1.00 0.00 C ATOM 622 C4' DT A 20 5.232 7.927 -4.750 1.00 0.00 C ATOM 623 O4' DT A 20 4.859 6.973 -3.734 1.00 0.00 O ATOM 624 C3' DT A 20 5.245 9.284 -4.061 1.00 0.00 C ATOM 625 O3' DT A 20 4.997 10.359 -4.976 1.00 0.00 O ATOM 626 C2' DT A 20 4.112 9.119 -3.063 1.00 0.00 C ATOM 627 C1' DT A 20 4.351 7.693 -2.600 1.00 0.00 C ATOM 628 N1 DT A 20 5.350 7.591 -1.527 1.00 0.00 N ATOM 629 C2 DT A 20 4.908 7.761 -0.232 1.00 0.00 C ATOM 630 O2 DT A 20 3.722 7.943 0.036 1.00 0.00 O ATOM 631 N3 DT A 20 5.879 7.709 0.749 1.00 0.00 N ATOM 632 C4 DT A 20 7.232 7.504 0.546 1.00 0.00 C ATOM 633 O4 DT A 20 8.013 7.485 1.494 1.00 0.00 O ATOM 634 C5 DT A 20 7.598 7.334 -0.844 1.00 0.00 C ATOM 635 C7 DT A 20 9.060 7.109 -1.214 1.00 0.00 C ATOM 636 C6 DT A 20 6.668 7.379 -1.816 1.00 0.00 C ATOM 0 H5' DT A 20 6.424 6.644 -6.003 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.918 8.325 -6.029 1.00 0.00 H new ATOM 0 H4' DT A 20 4.534 7.963 -5.586 1.00 0.00 H new ATOM 0 H3' DT A 20 6.204 9.543 -3.612 1.00 0.00 H new ATOM 0 H2' DT A 20 4.174 9.836 -2.244 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.133 9.246 -3.524 1.00 0.00 H new ATOM 0 HO3' DT A 20 5.013 11.211 -4.492 1.00 0.00 H new ATOM 0 H1' DT A 20 3.413 7.298 -2.210 1.00 0.00 H new ATOM 0 H3 DT A 20 5.570 7.833 1.713 1.00 0.00 H new ATOM 0 H71 DT A 20 9.700 7.608 -0.487 1.00 0.00 H new ATOM 0 H72 DT A 20 9.275 6.040 -1.214 1.00 0.00 H new ATOM 0 H73 DT A 20 9.251 7.517 -2.206 1.00 0.00 H new ATOM 0 H6 DT A 20 6.970 7.245 -2.844 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.435 5.698 0.862 1.00 0.00 C HETATM 652 C2 BER A 101 -1.749 5.890 0.449 1.00 0.00 C HETATM 653 N1 BER A 101 -0.174 5.529 2.166 1.00 0.00 N HETATM 654 C3 BER A 101 0.588 5.675 -0.078 1.00 0.00 C HETATM 655 C4 BER A 101 -2.772 5.957 1.384 1.00 0.00 C HETATM 656 C5 BER A 101 -2.057 6.105 -0.889 1.00 0.00 C HETATM 657 C6 BER A 101 1.141 5.311 2.597 1.00 0.00 C HETATM 658 C7 BER A 101 -1.280 5.196 3.096 1.00 0.00 C HETATM 659 C8 BER A 101 1.899 5.458 0.324 1.00 0.00 C HETATM 660 C9 BER A 101 -4.052 6.246 0.926 1.00 0.00 C HETATM 661 C10 BER A 101 -2.473 6.086 2.736 1.00 0.00 C HETATM 662 C11 BER A 101 -3.300 6.397 -1.262 1.00 0.00 C HETATM 663 C12 BER A 101 2.177 5.260 1.671 1.00 0.00 C HETATM 664 C13 BER A 101 2.898 5.309 -0.630 1.00 0.00 C HETATM 665 C14 BER A 101 -4.282 6.471 -0.366 1.00 0.00 C HETATM 666 O1 BER A 101 -3.760 6.683 -2.508 1.00 0.00 O HETATM 667 C15 BER A 101 3.470 4.941 2.072 1.00 0.00 C HETATM 668 C16 BER A 101 4.192 4.995 -0.236 1.00 0.00 C HETATM 669 O2 BER A 101 -5.457 6.799 -0.968 1.00 0.00 O HETATM 670 C17 BER A 101 -5.190 6.687 -2.373 1.00 0.00 C HETATM 671 C18 BER A 101 4.471 4.823 1.114 1.00 0.00 C HETATM 672 O3 BER A 101 3.750 4.727 3.386 1.00 0.00 O HETATM 673 O4 BER A 101 5.734 4.613 1.571 1.00 0.00 O HETATM 674 C19 BER A 101 4.355 5.894 3.948 1.00 0.00 C HETATM 675 C20 BER A 101 6.632 4.508 0.463 1.00 0.00 C HETATM 0 H203 BER A 101 6.332 3.673 -0.171 1.00 0.00 H new HETATM 0 H202 BER A 101 6.605 5.431 -0.116 1.00 0.00 H new HETATM 0 H201 BER A 101 7.644 4.340 0.830 1.00 0.00 H new HETATM 0 H193 BER A 101 5.279 6.118 3.414 1.00 0.00 H new HETATM 0 H192 BER A 101 3.671 6.738 3.858 1.00 0.00 H new HETATM 0 H191 BER A 101 4.577 5.718 5.000 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.631 7.520 -2.921 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.622 5.773 -2.780 1.00 0.00 H new HETATM 0 H161 BER A 101 4.982 4.884 -0.979 1.00 0.00 H new HETATM 0 H131 BER A 101 2.666 5.439 -1.687 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.245 7.126 2.969 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.339 5.808 3.337 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.879 6.289 1.634 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.548 4.143 3.010 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.975 5.364 4.129 1.00 0.00 H new HETATM 0 H61 BER A 101 1.352 5.181 3.658 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.271 6.034 -1.641 1.00 0.00 H new HETATM 0 H31 BER A 101 0.361 5.828 -1.133 1.00 0.00 H new