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 56:sc= 0.689 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.35! (180deg=-7.33!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.269 -3.668 -7.276 1.00 0.00 O ATOM 2 C5' DG A 1 3.387 -3.604 -8.698 1.00 0.00 C ATOM 3 C4' DG A 1 2.052 -3.259 -9.358 1.00 0.00 C ATOM 4 O4' DG A 1 1.064 -4.229 -8.998 1.00 0.00 O ATOM 5 C3' DG A 1 1.487 -1.909 -8.959 1.00 0.00 C ATOM 6 O3' DG A 1 2.004 -0.885 -9.817 1.00 0.00 O ATOM 7 C2' DG A 1 -0.005 -2.084 -9.202 1.00 0.00 C ATOM 8 C1' DG A 1 -0.216 -3.578 -8.951 1.00 0.00 C ATOM 9 N9 DG A 1 -0.830 -3.870 -7.642 1.00 0.00 N ATOM 10 C8 DG A 1 -2.140 -3.763 -7.267 1.00 0.00 C ATOM 11 N7 DG A 1 -2.386 -4.065 -6.027 1.00 0.00 N ATOM 12 C5 DG A 1 -1.131 -4.406 -5.527 1.00 0.00 C ATOM 13 C6 DG A 1 -0.756 -4.826 -4.222 1.00 0.00 C ATOM 14 O6 DG A 1 -1.471 -4.978 -3.233 1.00 0.00 O ATOM 15 N1 DG A 1 0.609 -5.072 -4.139 1.00 0.00 N ATOM 16 C2 DG A 1 1.504 -4.932 -5.178 1.00 0.00 C ATOM 17 N2 DG A 1 2.777 -5.220 -4.902 1.00 0.00 N ATOM 18 N3 DG A 1 1.156 -4.534 -6.407 1.00 0.00 N ATOM 19 C4 DG A 1 -0.172 -4.290 -6.509 1.00 0.00 C ATOM 0 H5' DG A 1 3.745 -4.561 -9.078 1.00 0.00 H new ATOM 0 H5'' DG A 1 4.132 -2.855 -8.969 1.00 0.00 H new ATOM 0 H4' DG A 1 2.266 -3.243 -10.427 1.00 0.00 H new ATOM 0 H3' DG A 1 1.734 -1.619 -7.938 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.600 -1.472 -8.524 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.286 -1.801 -10.216 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.569 -4.310 -7.034 1.00 0.00 H new ATOM 0 H1' DG A 1 -0.898 -3.941 -9.720 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.915 -3.450 -7.951 1.00 0.00 H new ATOM 0 H1 DG A 1 0.977 -5.380 -3.239 1.00 0.00 H new ATOM 0 H21 DG A 1 3.488 -5.136 -5.629 1.00 0.00 H new ATOM 0 H22 DG A 1 3.039 -5.524 -3.964 1.00 0.00 H new ATOM 32 P DG A 2 2.187 0.616 -9.264 1.00 0.00 P ATOM 33 OP1 DG A 2 2.715 1.455 -10.363 1.00 0.00 O ATOM 34 OP2 DG A 2 2.909 0.545 -7.975 1.00 0.00 O ATOM 35 O5' DG A 2 0.667 1.067 -8.968 1.00 0.00 O ATOM 36 C5' DG A 2 -0.264 1.222 -10.042 1.00 0.00 C ATOM 37 C4' DG A 2 -1.702 1.337 -9.537 1.00 0.00 C ATOM 38 O4' DG A 2 -2.091 0.146 -8.850 1.00 0.00 O ATOM 39 C3' DG A 2 -1.933 2.490 -8.570 1.00 0.00 C ATOM 40 O3' DG A 2 -2.316 3.666 -9.286 1.00 0.00 O ATOM 41 C2' DG A 2 -3.090 1.998 -7.722 1.00 0.00 C ATOM 42 C1' DG A 2 -2.810 0.499 -7.658 1.00 0.00 C ATOM 43 N9 DG A 2 -1.983 0.101 -6.501 1.00 0.00 N ATOM 44 C8 DG A 2 -0.623 0.022 -6.403 1.00 0.00 C ATOM 45 N7 DG A 2 -0.173 -0.330 -5.235 1.00 0.00 N ATOM 46 C5 DG A 2 -1.335 -0.504 -4.485 1.00 0.00 C ATOM 47 C6 DG A 2 -1.494 -0.891 -3.124 1.00 0.00 C ATOM 48 O6 DG A 2 -0.621 -1.150 -2.298 1.00 0.00 O ATOM 49 N1 DG A 2 -2.835 -0.950 -2.765 1.00 0.00 N ATOM 50 C2 DG A 2 -3.894 -0.671 -3.605 1.00 0.00 C ATOM 51 N2 DG A 2 -5.113 -0.786 -3.078 1.00 0.00 N ATOM 52 N3 DG A 2 -3.749 -0.307 -4.883 1.00 0.00 N ATOM 53 C4 DG A 2 -2.449 -0.245 -5.254 1.00 0.00 C ATOM 0 H5' DG A 2 -0.184 0.371 -10.718 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.009 2.112 -10.618 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.294 1.510 -10.436 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.048 2.751 -7.989 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.097 2.456 -6.733 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.055 2.215 -8.180 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.768 -0.011 -7.561 1.00 0.00 H new ATOM 0 H8 DG A 2 0.031 0.236 -7.235 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.054 -1.221 -1.806 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.936 -0.593 -3.649 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.223 -1.067 -2.104 1.00 0.00 H new ATOM 65 P DG A 3 -2.198 5.108 -8.584 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.256 6.143 -9.638 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.053 5.072 -7.646 1.00 0.00 O ATOM 68 O5' DG A 3 -3.556 5.186 -7.724 1.00 0.00 O ATOM 69 C5' DG A 3 -4.827 5.091 -8.372 1.00 0.00 C ATOM 70 C4' DG A 3 -5.978 5.202 -7.376 1.00 0.00 C ATOM 71 O4' DG A 3 -5.774 4.231 -6.336 1.00 0.00 O ATOM 72 C3' DG A 3 -6.094 6.575 -6.721 1.00 0.00 C ATOM 73 O3' DG A 3 -7.463 6.990 -6.746 1.00 0.00 O ATOM 74 C2' DG A 3 -5.643 6.385 -5.279 1.00 0.00 C ATOM 75 C1' DG A 3 -5.676 4.876 -5.063 1.00 0.00 C ATOM 76 N9 DG A 3 -4.472 4.348 -4.391 1.00 0.00 N ATOM 77 C8 DG A 3 -3.200 4.222 -4.875 1.00 0.00 C ATOM 78 N7 DG A 3 -2.337 3.728 -4.039 1.00 0.00 N ATOM 79 C5 DG A 3 -3.097 3.503 -2.894 1.00 0.00 C ATOM 80 C6 DG A 3 -2.706 2.972 -1.634 1.00 0.00 C ATOM 81 O6 DG A 3 -1.592 2.590 -1.281 1.00 0.00 O ATOM 82 N1 DG A 3 -3.777 2.910 -0.753 1.00 0.00 N ATOM 83 C2 DG A 3 -5.066 3.309 -1.044 1.00 0.00 C ATOM 84 N2 DG A 3 -5.962 3.169 -0.067 1.00 0.00 N ATOM 85 N3 DG A 3 -5.436 3.811 -2.226 1.00 0.00 N ATOM 86 C4 DG A 3 -4.405 3.879 -3.100 1.00 0.00 C ATOM 0 H5' DG A 3 -4.895 4.141 -8.902 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.915 5.880 -9.119 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.897 5.032 -7.937 1.00 0.00 H new ATOM 0 H3' DG A 3 -5.495 7.328 -7.233 1.00 0.00 H new ATOM 0 H2' DG A 3 -4.642 6.787 -5.120 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.307 6.900 -4.585 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.533 4.674 -4.420 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.932 4.512 -5.880 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.598 2.541 0.181 1.00 0.00 H new ATOM 0 H21 DG A 3 -6.932 3.446 -0.221 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.678 2.785 0.834 1.00 0.00 H new ATOM 98 P DG A 4 -7.987 8.009 -7.878 1.00 0.00 P ATOM 99 OP1 DG A 4 -6.902 8.972 -8.169 1.00 0.00 O ATOM 100 OP2 DG A 4 -9.323 8.499 -7.475 1.00 0.00 O ATOM 101 O5' DG A 4 -8.168 7.049 -9.158 1.00 0.00 O ATOM 102 C5' DG A 4 -9.439 6.461 -9.447 1.00 0.00 C ATOM 103 C4' DG A 4 -9.425 5.721 -10.781 1.00 0.00 C ATOM 104 O4' DG A 4 -9.079 6.630 -11.828 1.00 0.00 O ATOM 105 C3' DG A 4 -8.419 4.579 -10.837 1.00 0.00 C ATOM 106 O3' DG A 4 -8.918 3.541 -11.687 1.00 0.00 O ATOM 107 C2' DG A 4 -7.180 5.206 -11.462 1.00 0.00 C ATOM 108 C1' DG A 4 -7.738 6.378 -12.267 1.00 0.00 C ATOM 109 N9 DG A 4 -6.976 7.629 -12.103 1.00 0.00 N ATOM 110 C8 DG A 4 -6.419 8.156 -10.973 1.00 0.00 C ATOM 111 N7 DG A 4 -5.804 9.289 -11.137 1.00 0.00 N ATOM 112 C5 DG A 4 -5.963 9.543 -12.498 1.00 0.00 C ATOM 113 C6 DG A 4 -5.507 10.639 -13.278 1.00 0.00 C ATOM 114 O6 DG A 4 -4.862 11.619 -12.912 1.00 0.00 O ATOM 115 N1 DG A 4 -5.882 10.509 -14.608 1.00 0.00 N ATOM 116 C2 DG A 4 -6.606 9.454 -15.128 1.00 0.00 C ATOM 117 N2 DG A 4 -6.872 9.504 -16.433 1.00 0.00 N ATOM 118 N3 DG A 4 -7.036 8.422 -14.398 1.00 0.00 N ATOM 119 C4 DG A 4 -6.680 8.532 -13.097 1.00 0.00 C ATOM 0 H5' DG A 4 -10.203 7.238 -9.469 1.00 0.00 H new ATOM 0 H5'' DG A 4 -9.710 5.769 -8.649 1.00 0.00 H new ATOM 0 H4' DG A 4 -10.426 5.305 -10.899 1.00 0.00 H new ATOM 0 H3' DG A 4 -8.222 4.138 -9.860 1.00 0.00 H new ATOM 0 H2' DG A 4 -6.474 5.541 -10.702 1.00 0.00 H new ATOM 0 H2'' DG A 4 -6.650 4.498 -12.099 1.00 0.00 H new ATOM 0 H1' DG A 4 -7.679 6.092 -13.317 1.00 0.00 H new ATOM 0 H8 DG A 4 -6.485 7.667 -10.013 1.00 0.00 H new ATOM 0 H1 DG A 4 -5.601 11.250 -15.251 1.00 0.00 H new ATOM 0 H21 DG A 4 -7.403 8.753 -16.874 1.00 0.00 H new ATOM 0 H22 DG A 4 -6.544 10.293 -16.990 1.00 0.00 H new ATOM 131 P DC A 5 -9.699 2.277 -11.062 1.00 0.00 P ATOM 132 OP1 DC A 5 -10.495 1.647 -12.139 1.00 0.00 O ATOM 133 OP2 DC A 5 -10.362 2.716 -9.814 1.00 0.00 O ATOM 134 O5' DC A 5 -8.498 1.276 -10.671 1.00 0.00 O ATOM 135 C5' DC A 5 -7.523 0.900 -11.647 1.00 0.00 C ATOM 136 C4' DC A 5 -6.665 -0.275 -11.171 1.00 0.00 C ATOM 137 O4' DC A 5 -5.991 0.076 -9.943 1.00 0.00 O ATOM 138 C3' DC A 5 -7.458 -1.554 -10.893 1.00 0.00 C ATOM 139 O3' DC A 5 -6.682 -2.696 -11.282 1.00 0.00 O ATOM 140 C2' DC A 5 -7.619 -1.544 -9.383 1.00 0.00 C ATOM 141 C1' DC A 5 -6.305 -0.913 -8.959 1.00 0.00 C ATOM 142 N1 DC A 5 -6.330 -0.257 -7.636 1.00 0.00 N ATOM 143 C2 DC A 5 -6.177 -1.069 -6.524 1.00 0.00 C ATOM 144 O2 DC A 5 -6.039 -2.283 -6.664 1.00 0.00 O ATOM 145 N3 DC A 5 -6.168 -0.487 -5.293 1.00 0.00 N ATOM 146 C4 DC A 5 -6.302 0.840 -5.158 1.00 0.00 C ATOM 147 N4 DC A 5 -6.284 1.379 -3.936 1.00 0.00 N ATOM 148 C5 DC A 5 -6.460 1.684 -6.304 1.00 0.00 C ATOM 149 C6 DC A 5 -6.469 1.095 -7.518 1.00 0.00 C ATOM 0 H5' DC A 5 -6.881 1.753 -11.867 1.00 0.00 H new ATOM 0 H5'' DC A 5 -8.024 0.631 -12.577 1.00 0.00 H new ATOM 0 H4' DC A 5 -5.971 -0.473 -11.988 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.405 -1.600 -11.431 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.481 -0.958 -9.063 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.746 -2.547 -8.975 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.569 -1.713 -8.879 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.385 2.388 -3.822 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.169 0.782 -3.117 1.00 0.00 H new ATOM 0 H5 DC A 5 -6.568 2.754 -6.200 1.00 0.00 H new ATOM 0 H6 DC A 5 -6.587 1.700 -8.405 1.00 0.00 H new ATOM 161 P DG A 6 -7.400 -4.085 -11.679 1.00 0.00 P ATOM 162 OP1 DG A 6 -6.396 -4.953 -12.335 1.00 0.00 O ATOM 163 OP2 DG A 6 -8.665 -3.766 -12.379 1.00 0.00 O ATOM 164 O5' DG A 6 -7.761 -4.728 -10.243 1.00 0.00 O ATOM 165 C5' DG A 6 -8.857 -5.642 -10.116 1.00 0.00 C ATOM 166 C4' DG A 6 -8.984 -6.205 -8.699 1.00 0.00 C ATOM 167 O4' DG A 6 -7.852 -6.991 -8.357 1.00 0.00 O ATOM 168 C3' DG A 6 -9.093 -5.159 -7.606 1.00 0.00 C ATOM 169 O3' DG A 6 -10.455 -4.749 -7.458 1.00 0.00 O ATOM 170 C2' DG A 6 -8.646 -5.920 -6.365 1.00 0.00 C ATOM 171 C1' DG A 6 -7.773 -7.046 -6.925 1.00 0.00 C ATOM 172 N9 DG A 6 -6.360 -6.931 -6.540 1.00 0.00 N ATOM 173 C8 DG A 6 -5.340 -6.298 -7.188 1.00 0.00 C ATOM 174 N7 DG A 6 -4.190 -6.347 -6.585 1.00 0.00 N ATOM 175 C5 DG A 6 -4.468 -7.078 -5.431 1.00 0.00 C ATOM 176 C6 DG A 6 -3.609 -7.463 -4.369 1.00 0.00 C ATOM 177 O6 DG A 6 -2.410 -7.229 -4.235 1.00 0.00 O ATOM 178 N1 DG A 6 -4.288 -8.191 -3.400 1.00 0.00 N ATOM 179 C2 DG A 6 -5.628 -8.511 -3.445 1.00 0.00 C ATOM 180 N2 DG A 6 -6.100 -9.216 -2.416 1.00 0.00 N ATOM 181 N3 DG A 6 -6.441 -8.151 -4.443 1.00 0.00 N ATOM 182 C4 DG A 6 -5.795 -7.440 -5.397 1.00 0.00 C ATOM 0 H5' DG A 6 -8.725 -6.463 -10.820 1.00 0.00 H new ATOM 0 H5'' DG A 6 -9.783 -5.135 -10.387 1.00 0.00 H new ATOM 0 H4' DG A 6 -9.908 -6.781 -8.739 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.509 -4.260 -7.803 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.086 -5.280 -5.683 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.497 -6.312 -5.808 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.144 -7.986 -6.517 1.00 0.00 H new ATOM 0 H8 DG A 6 -5.478 -5.793 -8.133 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.754 -8.514 -2.593 1.00 0.00 H new ATOM 0 H21 DG A 6 -7.084 -9.484 -2.390 1.00 0.00 H new ATOM 0 H22 DG A 6 -5.477 -9.487 -1.655 1.00 0.00 H new ATOM 194 P DG A 7 -10.815 -3.250 -6.990 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.270 -3.049 -7.176 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.854 -2.320 -7.625 1.00 0.00 O ATOM 197 O5' DG A 7 -10.507 -3.290 -5.408 1.00 0.00 O ATOM 198 C5' DG A 7 -11.308 -4.104 -4.551 1.00 0.00 C ATOM 199 C4' DG A 7 -10.925 -3.964 -3.076 1.00 0.00 C ATOM 200 O4' DG A 7 -9.671 -4.591 -2.768 1.00 0.00 O ATOM 201 C3' DG A 7 -10.805 -2.521 -2.566 1.00 0.00 C ATOM 202 O3' DG A 7 -11.991 -2.180 -1.837 1.00 0.00 O ATOM 203 C2' DG A 7 -9.604 -2.565 -1.608 1.00 0.00 C ATOM 204 C1' DG A 7 -9.359 -4.062 -1.488 1.00 0.00 C ATOM 205 N9 DG A 7 -7.989 -4.465 -1.087 1.00 0.00 N ATOM 206 C8 DG A 7 -7.589 -4.932 0.132 1.00 0.00 C ATOM 207 N7 DG A 7 -6.325 -5.187 0.244 1.00 0.00 N ATOM 208 C5 DG A 7 -5.817 -4.870 -1.009 1.00 0.00 C ATOM 209 C6 DG A 7 -4.480 -4.950 -1.482 1.00 0.00 C ATOM 210 O6 DG A 7 -3.477 -5.311 -0.870 1.00 0.00 O ATOM 211 N1 DG A 7 -4.380 -4.543 -2.801 1.00 0.00 N ATOM 212 C2 DG A 7 -5.436 -4.111 -3.579 1.00 0.00 C ATOM 213 N2 DG A 7 -5.135 -3.765 -4.830 1.00 0.00 N ATOM 214 N3 DG A 7 -6.706 -4.031 -3.138 1.00 0.00 N ATOM 215 C4 DG A 7 -6.823 -4.425 -1.846 1.00 0.00 C ATOM 0 H5' DG A 7 -11.209 -5.147 -4.851 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.357 -3.835 -4.677 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.762 -4.455 -2.579 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.681 -1.791 -3.365 1.00 0.00 H new ATOM 0 H2' DG A 7 -8.739 -2.040 -2.012 1.00 0.00 H new ATOM 0 H2'' DG A 7 -9.832 -2.109 -0.645 1.00 0.00 H new ATOM 0 H1' DG A 7 -9.978 -4.449 -0.678 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.281 -5.079 0.948 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.456 -4.564 -3.231 1.00 0.00 H new ATOM 0 H21 DG A 7 -5.868 -3.437 -5.459 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.172 -3.828 -5.159 1.00 0.00 H new ATOM 227 P DG A 8 -12.243 -0.677 -1.322 1.00 0.00 P ATOM 228 OP1 DG A 8 -13.675 -0.549 -0.970 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.637 0.254 -2.299 1.00 0.00 O ATOM 230 O5' DG A 8 -11.381 -0.619 0.038 1.00 0.00 O ATOM 231 C5' DG A 8 -11.711 -1.474 1.136 1.00 0.00 C ATOM 232 C4' DG A 8 -10.583 -1.549 2.160 1.00 0.00 C ATOM 233 O4' DG A 8 -9.402 -2.065 1.575 1.00 0.00 O ATOM 234 C3' DG A 8 -10.197 -0.207 2.765 1.00 0.00 C ATOM 235 O3' DG A 8 -10.932 0.009 3.972 1.00 0.00 O ATOM 236 C2' DG A 8 -8.713 -0.362 3.093 1.00 0.00 C ATOM 237 C1' DG A 8 -8.312 -1.672 2.409 1.00 0.00 C ATOM 238 N9 DG A 8 -7.105 -1.570 1.568 1.00 0.00 N ATOM 239 C8 DG A 8 -6.989 -1.197 0.260 1.00 0.00 C ATOM 240 N7 DG A 8 -5.775 -1.192 -0.207 1.00 0.00 N ATOM 241 C5 DG A 8 -5.012 -1.600 0.886 1.00 0.00 C ATOM 242 C6 DG A 8 -3.606 -1.788 1.000 1.00 0.00 C ATOM 243 O6 DG A 8 -2.742 -1.625 0.141 1.00 0.00 O ATOM 244 N1 DG A 8 -3.250 -2.208 2.276 1.00 0.00 N ATOM 245 C2 DG A 8 -4.133 -2.421 3.315 1.00 0.00 C ATOM 246 N2 DG A 8 -3.604 -2.829 4.468 1.00 0.00 N ATOM 247 N3 DG A 8 -5.453 -2.242 3.212 1.00 0.00 N ATOM 248 C4 DG A 8 -5.820 -1.833 1.976 1.00 0.00 C ATOM 0 H5' DG A 8 -11.930 -2.475 0.763 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.617 -1.109 1.620 1.00 0.00 H new ATOM 0 H4' DG A 8 -10.980 -2.195 2.943 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.402 0.631 2.099 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.132 0.479 2.715 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.546 -0.407 4.169 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.083 -2.392 3.194 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.843 -0.926 -0.343 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.260 -2.371 2.459 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.207 -3.003 5.272 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.596 -2.967 4.546 1.00 0.00 H new ATOM 260 P DG A 9 -10.852 1.429 4.724 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.964 1.501 5.699 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.703 2.483 3.698 1.00 0.00 O ATOM 263 O5' DG A 9 -9.468 1.320 5.542 1.00 0.00 O ATOM 264 C5' DG A 9 -9.256 0.260 6.480 1.00 0.00 C ATOM 265 C4' DG A 9 -7.786 0.155 6.900 1.00 0.00 C ATOM 266 O4' DG A 9 -6.940 0.164 5.729 1.00 0.00 O ATOM 267 C3' DG A 9 -7.297 1.321 7.778 1.00 0.00 C ATOM 268 O3' DG A 9 -6.381 0.832 8.767 1.00 0.00 O ATOM 269 C2' DG A 9 -6.525 2.179 6.797 1.00 0.00 C ATOM 270 C1' DG A 9 -5.883 1.079 5.993 1.00 0.00 C ATOM 271 N9 DG A 9 -5.252 1.488 4.728 1.00 0.00 N ATOM 272 C8 DG A 9 -5.808 1.989 3.586 1.00 0.00 C ATOM 273 N7 DG A 9 -4.956 2.264 2.640 1.00 0.00 N ATOM 274 C5 DG A 9 -3.728 1.914 3.205 1.00 0.00 C ATOM 275 C6 DG A 9 -2.413 1.985 2.664 1.00 0.00 C ATOM 276 O6 DG A 9 -2.065 2.382 1.555 1.00 0.00 O ATOM 277 N1 DG A 9 -1.464 1.529 3.574 1.00 0.00 N ATOM 278 C2 DG A 9 -1.742 1.063 4.843 1.00 0.00 C ATOM 279 N2 DG A 9 -0.702 0.664 5.574 1.00 0.00 N ATOM 280 N3 DG A 9 -2.971 1.000 5.349 1.00 0.00 N ATOM 281 C4 DG A 9 -3.908 1.439 4.481 1.00 0.00 C ATOM 0 H5' DG A 9 -9.576 -0.684 6.039 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.875 0.426 7.362 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.724 -0.771 7.472 1.00 0.00 H new ATOM 0 H3' DG A 9 -8.106 1.839 8.293 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.171 2.820 6.197 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.796 2.827 7.284 1.00 0.00 H new ATOM 0 H1' DG A 9 -5.052 0.669 6.567 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.871 2.145 3.476 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.487 1.540 3.280 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.849 0.310 6.519 1.00 0.00 H new ATOM 0 H22 DG A 9 0.241 0.712 5.188 1.00 0.00 H new ATOM 293 P DC A 10 -6.893 0.176 10.142 1.00 0.00 P ATOM 294 OP1 DC A 10 -8.154 0.845 10.534 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.753 0.135 11.087 1.00 0.00 O ATOM 296 O5' DC A 10 -7.231 -1.334 9.702 1.00 0.00 O ATOM 297 C5' DC A 10 -6.176 -2.267 9.452 1.00 0.00 C ATOM 298 C4' DC A 10 -6.718 -3.679 9.263 1.00 0.00 C ATOM 299 O4' DC A 10 -7.338 -4.114 10.477 1.00 0.00 O ATOM 300 C3' DC A 10 -7.758 -3.786 8.161 1.00 0.00 C ATOM 301 O3' DC A 10 -7.690 -5.079 7.558 1.00 0.00 O ATOM 302 C2' DC A 10 -9.076 -3.631 8.902 1.00 0.00 C ATOM 303 C1' DC A 10 -8.758 -4.179 10.293 1.00 0.00 C ATOM 304 N1 DC A 10 -9.382 -3.429 11.400 1.00 0.00 N ATOM 305 C2 DC A 10 -10.655 -3.810 11.792 1.00 0.00 C ATOM 306 O2 DC A 10 -11.227 -4.732 11.215 1.00 0.00 O ATOM 307 N3 DC A 10 -11.242 -3.141 12.824 1.00 0.00 N ATOM 308 C4 DC A 10 -10.604 -2.140 13.445 1.00 0.00 C ATOM 309 N4 DC A 10 -11.206 -1.507 14.454 1.00 0.00 N ATOM 310 C5 DC A 10 -9.289 -1.742 13.044 1.00 0.00 C ATOM 311 C6 DC A 10 -8.720 -2.411 12.021 1.00 0.00 C ATOM 0 H5' DC A 10 -5.472 -2.254 10.284 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.624 -1.965 8.562 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.864 -4.297 8.986 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.623 -3.051 7.368 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.396 -2.590 8.942 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.877 -4.192 8.421 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.158 -5.192 10.328 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.729 -0.743 14.934 1.00 0.00 H new ATOM 0 H42 DC A 10 -12.143 -1.787 14.745 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.772 -0.936 13.542 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.729 -2.138 11.690 1.00 0.00 H new ATOM 323 P DG A 11 -6.835 -5.305 6.212 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.679 -3.998 5.538 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.418 -6.452 5.480 1.00 0.00 O ATOM 326 O5' DG A 11 -5.396 -5.749 6.782 1.00 0.00 O ATOM 327 C5' DG A 11 -5.276 -6.921 7.587 1.00 0.00 C ATOM 328 C4' DG A 11 -3.820 -7.346 7.771 1.00 0.00 C ATOM 329 O4' DG A 11 -3.262 -7.831 6.541 1.00 0.00 O ATOM 330 C3' DG A 11 -2.894 -6.237 8.243 1.00 0.00 C ATOM 331 O3' DG A 11 -2.879 -6.194 9.676 1.00 0.00 O ATOM 332 C2' DG A 11 -1.524 -6.668 7.725 1.00 0.00 C ATOM 333 C1' DG A 11 -1.841 -7.737 6.674 1.00 0.00 C ATOM 334 N9 DG A 11 -1.268 -7.445 5.347 1.00 0.00 N ATOM 335 C8 DG A 11 0.020 -7.600 4.926 1.00 0.00 C ATOM 336 N7 DG A 11 0.250 -7.248 3.699 1.00 0.00 N ATOM 337 C5 DG A 11 -0.997 -6.817 3.253 1.00 0.00 C ATOM 338 C6 DG A 11 -1.381 -6.311 1.983 1.00 0.00 C ATOM 339 O6 DG A 11 -0.682 -6.143 0.987 1.00 0.00 O ATOM 340 N1 DG A 11 -2.731 -5.991 1.949 1.00 0.00 N ATOM 341 C2 DG A 11 -3.607 -6.138 3.003 1.00 0.00 C ATOM 342 N2 DG A 11 -4.869 -5.771 2.776 1.00 0.00 N ATOM 343 N3 DG A 11 -3.251 -6.615 4.202 1.00 0.00 N ATOM 344 C4 DG A 11 -1.936 -6.934 4.255 1.00 0.00 C ATOM 0 H5' DG A 11 -5.835 -7.735 7.126 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.726 -6.737 8.563 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.872 -8.118 8.539 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.194 -5.250 7.891 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.981 -5.829 7.289 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.903 -7.069 8.526 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.394 -8.669 7.019 1.00 0.00 H new ATOM 0 H8 DG A 11 0.795 -7.989 5.570 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.104 -5.618 1.076 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.566 -5.855 3.516 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.137 -5.406 1.862 1.00 0.00 H new ATOM 356 P DG A 12 -2.669 -4.797 10.447 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.722 -5.058 11.903 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.577 -3.801 9.840 1.00 0.00 O ATOM 359 O5' DG A 12 -1.156 -4.408 10.059 1.00 0.00 O ATOM 360 C5' DG A 12 -0.066 -5.215 10.511 1.00 0.00 C ATOM 361 C4' DG A 12 1.200 -4.964 9.692 1.00 0.00 C ATOM 362 O4' DG A 12 0.958 -5.207 8.313 1.00 0.00 O ATOM 363 C3' DG A 12 1.723 -3.538 9.776 1.00 0.00 C ATOM 364 O3' DG A 12 2.666 -3.437 10.846 1.00 0.00 O ATOM 365 C2' DG A 12 2.430 -3.318 8.442 1.00 0.00 C ATOM 366 C1' DG A 12 1.823 -4.382 7.522 1.00 0.00 C ATOM 367 N9 DG A 12 1.023 -3.831 6.412 1.00 0.00 N ATOM 368 C8 DG A 12 -0.307 -3.520 6.379 1.00 0.00 C ATOM 369 N7 DG A 12 -0.733 -3.040 5.249 1.00 0.00 N ATOM 370 C5 DG A 12 0.412 -3.029 4.455 1.00 0.00 C ATOM 371 C6 DG A 12 0.583 -2.610 3.109 1.00 0.00 C ATOM 372 O6 DG A 12 -0.260 -2.151 2.341 1.00 0.00 O ATOM 373 N1 DG A 12 1.898 -2.765 2.690 1.00 0.00 N ATOM 374 C2 DG A 12 2.924 -3.262 3.466 1.00 0.00 C ATOM 375 N2 DG A 12 4.122 -3.341 2.885 1.00 0.00 N ATOM 376 N3 DG A 12 2.768 -3.655 4.734 1.00 0.00 N ATOM 377 C4 DG A 12 1.493 -3.512 5.162 1.00 0.00 C ATOM 0 H5' DG A 12 -0.340 -6.268 10.444 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.132 -5.004 11.562 1.00 0.00 H new ATOM 0 H4' DG A 12 1.938 -5.643 10.120 1.00 0.00 H new ATOM 0 H3' DG A 12 0.935 -2.807 9.959 1.00 0.00 H new ATOM 0 H2' DG A 12 2.256 -2.313 8.059 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.509 -3.441 8.537 1.00 0.00 H new ATOM 0 H1' DG A 12 2.655 -4.929 7.078 1.00 0.00 H new ATOM 0 H8 DG A 12 -0.957 -3.663 7.230 1.00 0.00 H new ATOM 0 H1 DG A 12 2.122 -2.490 1.734 1.00 0.00 H new ATOM 0 H21 DG A 12 4.920 -3.701 3.409 1.00 0.00 H new ATOM 0 H22 DG A 12 4.240 -3.042 1.917 1.00 0.00 H new ATOM 389 P DG A 13 3.070 -1.997 11.441 1.00 0.00 P ATOM 390 OP1 DG A 13 3.815 -2.211 12.702 1.00 0.00 O ATOM 391 OP2 DG A 13 1.865 -1.137 11.432 1.00 0.00 O ATOM 392 O5' DG A 13 4.098 -1.440 10.334 1.00 0.00 O ATOM 393 C5' DG A 13 5.316 -2.141 10.066 1.00 0.00 C ATOM 394 C4' DG A 13 6.002 -1.635 8.800 1.00 0.00 C ATOM 395 O4' DG A 13 5.122 -1.694 7.693 1.00 0.00 O ATOM 396 C3' DG A 13 6.469 -0.188 8.877 1.00 0.00 C ATOM 397 O3' DG A 13 7.825 -0.149 9.328 1.00 0.00 O ATOM 398 C2' DG A 13 6.393 0.310 7.435 1.00 0.00 C ATOM 399 C1' DG A 13 5.543 -0.741 6.714 1.00 0.00 C ATOM 400 N9 DG A 13 4.338 -0.199 6.059 1.00 0.00 N ATOM 401 C8 DG A 13 3.090 0.003 6.575 1.00 0.00 C ATOM 402 N7 DG A 13 2.225 0.505 5.746 1.00 0.00 N ATOM 403 C5 DG A 13 2.959 0.654 4.570 1.00 0.00 C ATOM 404 C6 DG A 13 2.559 1.158 3.302 1.00 0.00 C ATOM 405 O6 DG A 13 1.458 1.585 2.964 1.00 0.00 O ATOM 406 N1 DG A 13 3.608 1.133 2.391 1.00 0.00 N ATOM 407 C2 DG A 13 4.883 0.680 2.662 1.00 0.00 C ATOM 408 N2 DG A 13 5.755 0.728 1.656 1.00 0.00 N ATOM 409 N3 DG A 13 5.261 0.208 3.854 1.00 0.00 N ATOM 410 C4 DG A 13 4.254 0.224 4.756 1.00 0.00 C ATOM 0 H5' DG A 13 5.106 -3.206 9.963 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.992 -2.030 10.914 1.00 0.00 H new ATOM 0 H4' DG A 13 6.867 -2.288 8.689 1.00 0.00 H new ATOM 0 H3' DG A 13 5.872 0.414 9.562 1.00 0.00 H new ATOM 0 H2' DG A 13 5.935 1.298 7.379 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.385 0.393 6.990 1.00 0.00 H new ATOM 0 H1' DG A 13 6.161 -1.170 5.925 1.00 0.00 H new ATOM 0 H8 DG A 13 2.840 -0.237 7.598 1.00 0.00 H new ATOM 0 H1 DG A 13 3.421 1.476 1.449 1.00 0.00 H new ATOM 0 H21 DG A 13 6.713 0.407 1.796 1.00 0.00 H new ATOM 0 H22 DG A 13 5.465 1.086 0.746 1.00 0.00 H new ATOM 422 P DG A 14 8.377 1.133 10.128 1.00 0.00 P ATOM 423 OP1 DG A 14 9.715 0.803 10.668 1.00 0.00 O ATOM 424 OP2 DG A 14 7.309 1.603 11.039 1.00 0.00 O ATOM 425 O5' DG A 14 8.563 2.224 8.958 1.00 0.00 O ATOM 426 C5' DG A 14 9.437 1.967 7.853 1.00 0.00 C ATOM 427 C4' DG A 14 9.029 2.755 6.612 1.00 0.00 C ATOM 428 O4' DG A 14 7.616 2.594 6.425 1.00 0.00 O ATOM 429 C3' DG A 14 9.327 4.249 6.711 1.00 0.00 C ATOM 430 O3' DG A 14 10.210 4.615 5.647 1.00 0.00 O ATOM 431 C2' DG A 14 7.992 4.960 6.522 1.00 0.00 C ATOM 432 C1' DG A 14 6.949 3.853 6.507 1.00 0.00 C ATOM 433 N9 DG A 14 6.093 3.822 7.704 1.00 0.00 N ATOM 434 C8 DG A 14 6.438 3.592 9.003 1.00 0.00 C ATOM 435 N7 DG A 14 5.454 3.625 9.850 1.00 0.00 N ATOM 436 C5 DG A 14 4.352 3.900 9.044 1.00 0.00 C ATOM 437 C6 DG A 14 2.984 4.057 9.395 1.00 0.00 C ATOM 438 O6 DG A 14 2.470 3.987 10.509 1.00 0.00 O ATOM 439 N1 DG A 14 2.201 4.324 8.279 1.00 0.00 N ATOM 440 C2 DG A 14 2.671 4.428 6.986 1.00 0.00 C ATOM 441 N2 DG A 14 1.763 4.682 6.045 1.00 0.00 N ATOM 442 N3 DG A 14 3.957 4.284 6.654 1.00 0.00 N ATOM 443 C4 DG A 14 4.737 4.022 7.727 1.00 0.00 C ATOM 0 H5' DG A 14 9.431 0.901 7.625 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.459 2.228 8.129 1.00 0.00 H new ATOM 0 H4' DG A 14 9.612 2.365 5.778 1.00 0.00 H new ATOM 0 H3' DG A 14 9.790 4.510 7.663 1.00 0.00 H new ATOM 0 H2' DG A 14 7.804 5.667 7.330 1.00 0.00 H new ATOM 0 H2'' DG A 14 7.977 5.528 5.592 1.00 0.00 H new ATOM 0 H1' DG A 14 6.308 4.050 5.648 1.00 0.00 H new ATOM 0 H8 DG A 14 7.456 3.396 9.306 1.00 0.00 H new ATOM 0 H1 DG A 14 1.200 4.453 8.427 1.00 0.00 H new ATOM 0 H21 DG A 14 2.050 4.770 5.070 1.00 0.00 H new ATOM 0 H22 DG A 14 0.781 4.788 6.299 1.00 0.00 H new ATOM 455 P DC A 15 11.779 4.847 5.916 1.00 0.00 P ATOM 456 OP1 DC A 15 11.943 5.382 7.287 1.00 0.00 O ATOM 457 OP2 DC A 15 12.344 5.584 4.764 1.00 0.00 O ATOM 458 O5' DC A 15 12.363 3.348 5.887 1.00 0.00 O ATOM 459 C5' DC A 15 12.850 2.789 4.665 1.00 0.00 C ATOM 460 C4' DC A 15 13.564 1.462 4.899 1.00 0.00 C ATOM 461 O4' DC A 15 14.686 1.674 5.762 1.00 0.00 O ATOM 462 C3' DC A 15 12.689 0.400 5.549 1.00 0.00 C ATOM 463 O3' DC A 15 13.099 -0.897 5.110 1.00 0.00 O ATOM 464 C2' DC A 15 12.997 0.555 7.026 1.00 0.00 C ATOM 465 C1' DC A 15 14.443 1.038 7.024 1.00 0.00 C ATOM 466 N1 DC A 15 14.758 2.011 8.085 1.00 0.00 N ATOM 467 C2 DC A 15 15.162 1.506 9.310 1.00 0.00 C ATOM 468 O2 DC A 15 15.237 0.292 9.478 1.00 0.00 O ATOM 469 N3 DC A 15 15.467 2.385 10.303 1.00 0.00 N ATOM 470 C4 DC A 15 15.378 3.706 10.104 1.00 0.00 C ATOM 471 N4 DC A 15 15.684 4.537 11.101 1.00 0.00 N ATOM 472 C5 DC A 15 14.960 4.234 8.842 1.00 0.00 C ATOM 473 C6 DC A 15 14.661 3.356 7.865 1.00 0.00 C ATOM 0 H5' DC A 15 13.534 3.492 4.190 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.019 2.639 3.976 1.00 0.00 H new ATOM 0 H4' DC A 15 13.856 1.101 3.913 1.00 0.00 H new ATOM 0 H3' DC A 15 11.631 0.507 5.311 1.00 0.00 H new ATOM 0 H2' DC A 15 12.332 1.274 7.504 1.00 0.00 H new ATOM 0 H2'' DC A 15 12.887 -0.387 7.563 1.00 0.00 H new ATOM 0 H1' DC A 15 15.071 0.164 7.200 1.00 0.00 H new ATOM 0 H41 DC A 15 15.620 5.545 10.962 1.00 0.00 H new ATOM 0 H42 DC A 15 15.982 4.164 12.002 1.00 0.00 H new ATOM 0 H5 DC A 15 14.887 5.299 8.678 1.00 0.00 H new ATOM 0 H6 DC A 15 14.342 3.719 6.899 1.00 0.00 H new ATOM 485 P DG A 16 12.490 -1.537 3.766 1.00 0.00 P ATOM 486 OP1 DG A 16 12.871 -2.965 3.722 1.00 0.00 O ATOM 487 OP2 DG A 16 12.833 -0.646 2.633 1.00 0.00 O ATOM 488 O5' DG A 16 10.901 -1.445 4.021 1.00 0.00 O ATOM 489 C5' DG A 16 10.316 -2.029 5.191 1.00 0.00 C ATOM 490 C4' DG A 16 8.797 -1.879 5.198 1.00 0.00 C ATOM 491 O4' DG A 16 8.484 -0.483 5.140 1.00 0.00 O ATOM 492 C3' DG A 16 8.111 -2.567 4.025 1.00 0.00 C ATOM 493 O3' DG A 16 6.946 -3.254 4.495 1.00 0.00 O ATOM 494 C2' DG A 16 7.693 -1.443 3.082 1.00 0.00 C ATOM 495 C1' DG A 16 7.918 -0.155 3.869 1.00 0.00 C ATOM 496 N9 DG A 16 8.836 0.792 3.209 1.00 0.00 N ATOM 497 C8 DG A 16 10.042 0.548 2.618 1.00 0.00 C ATOM 498 N7 DG A 16 10.623 1.589 2.101 1.00 0.00 N ATOM 499 C5 DG A 16 9.727 2.621 2.370 1.00 0.00 C ATOM 500 C6 DG A 16 9.810 4.004 2.050 1.00 0.00 C ATOM 501 O6 DG A 16 10.705 4.596 1.451 1.00 0.00 O ATOM 502 N1 DG A 16 8.697 4.698 2.507 1.00 0.00 N ATOM 503 C2 DG A 16 7.635 4.137 3.187 1.00 0.00 C ATOM 504 N2 DG A 16 6.662 4.971 3.552 1.00 0.00 N ATOM 505 N3 DG A 16 7.554 2.837 3.486 1.00 0.00 N ATOM 506 C4 DG A 16 8.630 2.142 3.051 1.00 0.00 C ATOM 0 H5' DG A 16 10.732 -1.556 6.081 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.577 -3.086 5.240 1.00 0.00 H new ATOM 0 H4' DG A 16 8.433 -2.354 6.109 1.00 0.00 H new ATOM 0 H3' DG A 16 8.762 -3.291 3.534 1.00 0.00 H new ATOM 0 H2' DG A 16 8.287 -1.455 2.168 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.649 -1.546 2.785 1.00 0.00 H new ATOM 0 H1' DG A 16 6.944 0.327 3.952 1.00 0.00 H new ATOM 0 H8 DG A 16 10.481 -0.438 2.583 1.00 0.00 H new ATOM 0 H1 DG A 16 8.662 5.701 2.326 1.00 0.00 H new ATOM 0 H21 DG A 16 5.850 4.617 4.058 1.00 0.00 H new ATOM 0 H22 DG A 16 6.729 5.963 3.326 1.00 0.00 H new ATOM 518 P DG A 17 6.982 -4.841 4.771 1.00 0.00 P ATOM 519 OP1 DG A 17 5.694 -5.236 5.384 1.00 0.00 O ATOM 520 OP2 DG A 17 8.257 -5.166 5.455 1.00 0.00 O ATOM 521 O5' DG A 17 7.031 -5.453 3.280 1.00 0.00 O ATOM 522 C5' DG A 17 7.684 -6.696 3.029 1.00 0.00 C ATOM 523 C4' DG A 17 8.145 -6.810 1.576 1.00 0.00 C ATOM 524 O4' DG A 17 7.107 -7.402 0.761 1.00 0.00 O ATOM 525 C3' DG A 17 8.530 -5.481 0.931 1.00 0.00 C ATOM 526 O3' DG A 17 9.959 -5.357 0.929 1.00 0.00 O ATOM 527 C2' DG A 17 8.017 -5.558 -0.509 1.00 0.00 C ATOM 528 C1' DG A 17 7.217 -6.863 -0.555 1.00 0.00 C ATOM 529 N9 DG A 17 5.855 -6.691 -1.081 1.00 0.00 N ATOM 530 C8 DG A 17 5.461 -6.529 -2.374 1.00 0.00 C ATOM 531 N7 DG A 17 4.183 -6.392 -2.551 1.00 0.00 N ATOM 532 C5 DG A 17 3.673 -6.470 -1.255 1.00 0.00 C ATOM 533 C6 DG A 17 2.329 -6.387 -0.800 1.00 0.00 C ATOM 534 O6 DG A 17 1.307 -6.228 -1.464 1.00 0.00 O ATOM 535 N1 DG A 17 2.250 -6.511 0.581 1.00 0.00 N ATOM 536 C2 DG A 17 3.328 -6.691 1.422 1.00 0.00 C ATOM 537 N2 DG A 17 3.052 -6.782 2.722 1.00 0.00 N ATOM 538 N3 DG A 17 4.595 -6.773 0.997 1.00 0.00 N ATOM 539 C4 DG A 17 4.692 -6.653 -0.347 1.00 0.00 C ATOM 0 H5' DG A 17 7.005 -7.517 3.261 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.543 -6.796 3.692 1.00 0.00 H new ATOM 0 H4' DG A 17 9.038 -7.434 1.617 1.00 0.00 H new ATOM 0 H3' DG A 17 8.111 -4.627 1.463 1.00 0.00 H new ATOM 0 H2' DG A 17 7.392 -4.699 -0.755 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.839 -5.570 -1.224 1.00 0.00 H new ATOM 0 H1' DG A 17 7.759 -7.530 -1.226 1.00 0.00 H new ATOM 0 H8 DG A 17 6.163 -6.515 -3.195 1.00 0.00 H new ATOM 0 H1 DG A 17 1.324 -6.465 1.006 1.00 0.00 H new ATOM 0 H21 DG A 17 3.806 -6.916 3.395 1.00 0.00 H new ATOM 0 H22 DG A 17 2.086 -6.718 3.044 1.00 0.00 H new ATOM 551 P DG A 18 10.657 -3.964 1.336 1.00 0.00 P ATOM 552 OP1 DG A 18 12.123 -4.121 1.194 1.00 0.00 O ATOM 553 OP2 DG A 18 10.084 -3.527 2.630 1.00 0.00 O ATOM 554 O5' DG A 18 10.140 -2.970 0.176 1.00 0.00 O ATOM 555 C5' DG A 18 10.586 -3.147 -1.172 1.00 0.00 C ATOM 556 C4' DG A 18 9.642 -2.496 -2.181 1.00 0.00 C ATOM 557 O4' DG A 18 8.357 -3.089 -2.091 1.00 0.00 O ATOM 558 C3' DG A 18 9.440 -1.013 -1.969 1.00 0.00 C ATOM 559 O3' DG A 18 10.441 -0.286 -2.680 1.00 0.00 O ATOM 560 C2' DG A 18 8.070 -0.763 -2.591 1.00 0.00 C ATOM 561 C1' DG A 18 7.398 -2.136 -2.577 1.00 0.00 C ATOM 562 N9 DG A 18 6.204 -2.195 -1.710 1.00 0.00 N ATOM 563 C8 DG A 18 6.114 -2.480 -0.378 1.00 0.00 C ATOM 564 N7 DG A 18 4.913 -2.422 0.121 1.00 0.00 N ATOM 565 C5 DG A 18 4.130 -2.066 -0.977 1.00 0.00 C ATOM 566 C6 DG A 18 2.726 -1.849 -1.064 1.00 0.00 C ATOM 567 O6 DG A 18 1.885 -1.927 -0.172 1.00 0.00 O ATOM 568 N1 DG A 18 2.344 -1.510 -2.356 1.00 0.00 N ATOM 569 C2 DG A 18 3.202 -1.391 -3.430 1.00 0.00 C ATOM 570 N2 DG A 18 2.650 -1.063 -4.597 1.00 0.00 N ATOM 571 N3 DG A 18 4.520 -1.593 -3.350 1.00 0.00 N ATOM 572 C4 DG A 18 4.913 -1.927 -2.100 1.00 0.00 C ATOM 0 H5' DG A 18 10.669 -4.212 -1.389 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.583 -2.721 -1.282 1.00 0.00 H new ATOM 0 H4' DG A 18 10.115 -2.649 -3.151 1.00 0.00 H new ATOM 0 H3' DG A 18 9.503 -0.706 -0.925 1.00 0.00 H new ATOM 0 H2' DG A 18 7.499 -0.034 -2.017 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.158 -0.372 -3.605 1.00 0.00 H new ATOM 0 H1' DG A 18 7.067 -2.352 -3.593 1.00 0.00 H new ATOM 0 H8 DG A 18 6.977 -2.735 0.219 1.00 0.00 H new ATOM 0 H1 DG A 18 1.353 -1.336 -2.524 1.00 0.00 H new ATOM 0 H21 DG A 18 3.234 -0.961 -5.427 1.00 0.00 H new ATOM 0 H22 DG A 18 1.643 -0.914 -4.661 1.00 0.00 H new ATOM 584 P DG A 19 10.731 1.252 -2.313 1.00 0.00 P ATOM 585 OP1 DG A 19 11.986 1.660 -2.984 1.00 0.00 O ATOM 586 OP2 DG A 19 10.595 1.405 -0.847 1.00 0.00 O ATOM 587 O5' DG A 19 9.502 2.018 -3.024 1.00 0.00 O ATOM 588 C5' DG A 19 9.390 2.036 -4.451 1.00 0.00 C ATOM 589 C4' DG A 19 8.057 2.614 -4.921 1.00 0.00 C ATOM 590 O4' DG A 19 6.978 1.853 -4.401 1.00 0.00 O ATOM 591 C3' DG A 19 7.808 4.042 -4.487 1.00 0.00 C ATOM 592 O3' DG A 19 8.362 4.951 -5.443 1.00 0.00 O ATOM 593 C2' DG A 19 6.288 4.144 -4.498 1.00 0.00 C ATOM 594 C1' DG A 19 5.817 2.699 -4.341 1.00 0.00 C ATOM 595 N9 DG A 19 5.123 2.442 -3.065 1.00 0.00 N ATOM 596 C8 DG A 19 5.642 2.066 -1.859 1.00 0.00 C ATOM 597 N7 DG A 19 4.775 1.947 -0.898 1.00 0.00 N ATOM 598 C5 DG A 19 3.568 2.272 -1.515 1.00 0.00 C ATOM 599 C6 DG A 19 2.253 2.320 -0.976 1.00 0.00 C ATOM 600 O6 DG A 19 1.891 2.086 0.175 1.00 0.00 O ATOM 601 N1 DG A 19 1.322 2.689 -1.938 1.00 0.00 N ATOM 602 C2 DG A 19 1.617 2.978 -3.255 1.00 0.00 C ATOM 603 N2 DG A 19 0.587 3.308 -4.034 1.00 0.00 N ATOM 604 N3 DG A 19 2.851 2.934 -3.764 1.00 0.00 N ATOM 605 C4 DG A 19 3.773 2.575 -2.842 1.00 0.00 C ATOM 0 H5' DG A 19 9.499 1.022 -4.834 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.206 2.624 -4.870 1.00 0.00 H new ATOM 0 H4' DG A 19 8.116 2.581 -6.009 1.00 0.00 H new ATOM 0 H3' DG A 19 8.255 4.284 -3.523 1.00 0.00 H new ATOM 0 H2' DG A 19 5.925 4.772 -3.685 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.925 4.583 -5.427 1.00 0.00 H new ATOM 0 H1' DG A 19 5.103 2.496 -5.139 1.00 0.00 H new ATOM 0 H8 DG A 19 6.696 1.881 -1.714 1.00 0.00 H new ATOM 0 H1 DG A 19 0.346 2.751 -1.649 1.00 0.00 H new ATOM 0 H21 DG A 19 0.742 3.532 -5.017 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.356 3.336 -3.647 1.00 0.00 H new ATOM 617 P DT A 20 8.854 6.409 -4.972 1.00 0.00 P ATOM 618 OP1 DT A 20 9.456 7.101 -6.135 1.00 0.00 O ATOM 619 OP2 DT A 20 9.631 6.247 -3.724 1.00 0.00 O ATOM 620 O5' DT A 20 7.469 7.143 -4.610 1.00 0.00 O ATOM 621 C5' DT A 20 6.506 7.397 -5.632 1.00 0.00 C ATOM 622 C4' DT A 20 5.154 7.817 -5.054 1.00 0.00 C ATOM 623 O4' DT A 20 4.745 6.885 -4.035 1.00 0.00 O ATOM 624 C3' DT A 20 5.153 9.187 -4.392 1.00 0.00 C ATOM 625 O3' DT A 20 4.932 10.244 -5.334 1.00 0.00 O ATOM 626 C2' DT A 20 3.995 9.047 -3.417 1.00 0.00 C ATOM 627 C1' DT A 20 4.206 7.626 -2.928 1.00 0.00 C ATOM 628 N1 DT A 20 5.167 7.530 -1.821 1.00 0.00 N ATOM 629 C2 DT A 20 4.679 7.709 -0.543 1.00 0.00 C ATOM 630 O2 DT A 20 3.486 7.896 -0.318 1.00 0.00 O ATOM 631 N3 DT A 20 5.615 7.663 0.472 1.00 0.00 N ATOM 632 C4 DT A 20 6.974 7.456 0.318 1.00 0.00 C ATOM 633 O4 DT A 20 7.721 7.443 1.293 1.00 0.00 O ATOM 634 C5 DT A 20 7.388 7.276 -1.056 1.00 0.00 C ATOM 635 C7 DT A 20 8.862 7.047 -1.374 1.00 0.00 C ATOM 636 C6 DT A 20 6.493 7.315 -2.062 1.00 0.00 C ATOM 0 H5' DT A 20 6.378 6.501 -6.240 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.877 8.180 -6.293 1.00 0.00 H new ATOM 0 H4' DT A 20 4.482 7.841 -5.912 1.00 0.00 H new ATOM 0 H3' DT A 20 6.102 9.451 -3.924 1.00 0.00 H new ATOM 0 H2' DT A 20 4.046 9.775 -2.607 1.00 0.00 H new ATOM 0 H2'' DT A 20 3.028 9.178 -3.902 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.937 11.105 -4.866 1.00 0.00 H new ATOM 0 H1' DT A 20 3.252 7.245 -2.565 1.00 0.00 H new ATOM 0 H3 DT A 20 5.272 7.794 1.424 1.00 0.00 H new ATOM 0 H71 DT A 20 9.478 7.551 -0.629 1.00 0.00 H new ATOM 0 H72 DT A 20 9.076 5.978 -1.359 1.00 0.00 H new ATOM 0 H73 DT A 20 9.088 7.448 -2.362 1.00 0.00 H new ATOM 0 H6 DT A 20 6.831 7.174 -3.078 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.383 5.725 0.846 1.00 0.00 C HETATM 652 C2 BER A 101 -1.697 5.955 0.458 1.00 0.00 C HETATM 653 N1 BER A 101 -0.099 5.564 2.147 1.00 0.00 N HETATM 654 C3 BER A 101 0.619 5.662 -0.115 1.00 0.00 C HETATM 655 C4 BER A 101 -2.697 6.066 1.414 1.00 0.00 C HETATM 656 C5 BER A 101 -2.027 6.163 -0.875 1.00 0.00 C HETATM 657 C6 BER A 101 1.219 5.314 2.553 1.00 0.00 C HETATM 658 C7 BER A 101 -1.193 5.281 3.104 1.00 0.00 C HETATM 659 C8 BER A 101 1.934 5.419 0.263 1.00 0.00 C HETATM 660 C9 BER A 101 -3.977 6.389 0.979 1.00 0.00 C HETATM 661 C10 BER A 101 -2.365 6.203 2.757 1.00 0.00 C HETATM 662 C11 BER A 101 -3.268 6.490 -1.226 1.00 0.00 C HETATM 663 C12 BER A 101 2.233 5.226 1.607 1.00 0.00 C HETATM 664 C13 BER A 101 2.910 5.238 -0.709 1.00 0.00 C HETATM 665 C14 BER A 101 -4.228 6.606 -0.311 1.00 0.00 C HETATM 666 O1 BER A 101 -3.745 6.781 -2.465 1.00 0.00 O HETATM 667 C15 BER A 101 3.525 4.876 1.984 1.00 0.00 C HETATM 668 C16 BER A 101 4.202 4.891 -0.338 1.00 0.00 C HETATM 669 O2 BER A 101 -5.404 6.965 -0.891 1.00 0.00 O HETATM 670 C17 BER A 101 -5.170 6.832 -2.302 1.00 0.00 C HETATM 671 C18 BER A 101 4.502 4.719 1.008 1.00 0.00 C HETATM 672 O3 BER A 101 3.824 4.657 3.293 1.00 0.00 O HETATM 673 O4 BER A 101 5.768 4.472 1.440 1.00 0.00 O HETATM 674 C19 BER A 101 3.969 5.907 3.972 1.00 0.00 C HETATM 675 C20 BER A 101 6.645 4.364 0.316 1.00 0.00 C HETATM 0 H203 BER A 101 6.315 3.547 -0.326 1.00 0.00 H new HETATM 0 H202 BER A 101 6.630 5.297 -0.248 1.00 0.00 H new HETATM 0 H201 BER A 101 7.659 4.166 0.663 1.00 0.00 H new HETATM 0 H193 BER A 101 4.772 6.481 3.510 1.00 0.00 H new HETATM 0 H192 BER A 101 3.037 6.468 3.904 1.00 0.00 H new HETATM 0 H191 BER A 101 4.208 5.726 5.020 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.595 7.674 -2.849 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.640 5.929 -2.692 1.00 0.00 H new HETATM 0 H161 BER A 101 4.974 4.755 -1.095 1.00 0.00 H new HETATM 0 H131 BER A 101 2.661 5.368 -1.762 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.099 7.238 2.971 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.226 5.960 3.379 1.00 0.00 H new HETATM 0 H91 BER A 101 -4.787 6.466 1.704 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.496 4.236 3.040 1.00 0.00 H new HETATM 0 H71 BER A 101 -0.860 5.454 4.127 1.00 0.00 H new HETATM 0 H61 BER A 101 1.449 5.189 3.611 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.260 6.057 -1.643 1.00 0.00 H new HETATM 0 H31 BER A 101 0.373 5.803 -1.167 1.00 0.00 H new