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 49:sc= 1.37 USER MOD Single : A 20 DT C7 :methyl -30:sc= -4.51! (180deg=-7.52!) USER MOD Single : A 20 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 3.161 -4.290 -7.714 1.00 0.00 O ATOM 2 C5' DG A 1 2.997 -4.400 -9.127 1.00 0.00 C ATOM 3 C4' DG A 1 1.568 -4.069 -9.556 1.00 0.00 C ATOM 4 O4' DG A 1 0.648 -4.931 -8.895 1.00 0.00 O ATOM 5 C3' DG A 1 1.128 -2.655 -9.225 1.00 0.00 C ATOM 6 O3' DG A 1 1.477 -1.774 -10.298 1.00 0.00 O ATOM 7 C2' DG A 1 -0.385 -2.772 -9.120 1.00 0.00 C ATOM 8 C1' DG A 1 -0.618 -4.254 -8.823 1.00 0.00 C ATOM 9 N9 DG A 1 -1.190 -4.500 -7.484 1.00 0.00 N ATOM 10 C8 DG A 1 -2.492 -4.412 -7.080 1.00 0.00 C ATOM 11 N7 DG A 1 -2.698 -4.661 -5.822 1.00 0.00 N ATOM 12 C5 DG A 1 -1.421 -4.941 -5.339 1.00 0.00 C ATOM 13 C6 DG A 1 -1.002 -5.289 -4.026 1.00 0.00 C ATOM 14 O6 DG A 1 -1.687 -5.411 -3.012 1.00 0.00 O ATOM 15 N1 DG A 1 0.371 -5.491 -3.967 1.00 0.00 N ATOM 16 C2 DG A 1 1.236 -5.376 -5.036 1.00 0.00 C ATOM 17 N2 DG A 1 2.522 -5.614 -4.779 1.00 0.00 N ATOM 18 N3 DG A 1 0.845 -5.049 -6.273 1.00 0.00 N ATOM 19 C4 DG A 1 -0.491 -4.847 -6.351 1.00 0.00 C ATOM 0 H5' DG A 1 3.248 -5.412 -9.445 1.00 0.00 H new ATOM 0 H5'' DG A 1 3.693 -3.727 -9.628 1.00 0.00 H new ATOM 0 H4' DG A 1 1.569 -4.192 -10.639 1.00 0.00 H new ATOM 0 H3' DG A 1 1.592 -2.259 -8.321 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.781 -2.138 -8.326 1.00 0.00 H new ATOM 0 H2'' DG A 1 -0.875 -2.468 -10.045 1.00 0.00 H new ATOM 0 HO5' DG A 1 2.441 -4.778 -7.262 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.334 -4.622 -9.558 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.292 -4.154 -7.758 1.00 0.00 H new ATOM 0 H1 DG A 1 0.771 -5.744 -3.063 1.00 0.00 H new ATOM 0 H21 DG A 1 3.213 -5.546 -5.527 1.00 0.00 H new ATOM 0 H22 DG A 1 2.815 -5.864 -3.835 1.00 0.00 H new ATOM 32 P DG A 2 1.798 -0.226 -9.999 1.00 0.00 P ATOM 33 OP1 DG A 2 2.182 0.425 -11.273 1.00 0.00 O ATOM 34 OP2 DG A 2 2.709 -0.163 -8.835 1.00 0.00 O ATOM 35 O5' DG A 2 0.361 0.350 -9.549 1.00 0.00 O ATOM 36 C5' DG A 2 -0.725 0.391 -10.478 1.00 0.00 C ATOM 37 C4' DG A 2 -2.074 0.521 -9.771 1.00 0.00 C ATOM 38 O4' DG A 2 -2.251 -0.558 -8.866 1.00 0.00 O ATOM 39 C3' DG A 2 -2.226 1.794 -8.948 1.00 0.00 C ATOM 40 O3' DG A 2 -2.761 2.842 -9.758 1.00 0.00 O ATOM 41 C2' DG A 2 -3.227 1.398 -7.880 1.00 0.00 C ATOM 42 C1' DG A 2 -2.946 -0.091 -7.698 1.00 0.00 C ATOM 43 N9 DG A 2 -2.100 -0.387 -6.526 1.00 0.00 N ATOM 44 C8 DG A 2 -0.737 -0.425 -6.435 1.00 0.00 C ATOM 45 N7 DG A 2 -0.269 -0.683 -5.251 1.00 0.00 N ATOM 46 C5 DG A 2 -1.420 -0.833 -4.478 1.00 0.00 C ATOM 47 C6 DG A 2 -1.557 -1.125 -3.092 1.00 0.00 C ATOM 48 O6 DG A 2 -0.671 -1.305 -2.259 1.00 0.00 O ATOM 49 N1 DG A 2 -2.893 -1.190 -2.715 1.00 0.00 N ATOM 50 C2 DG A 2 -3.965 -0.998 -3.562 1.00 0.00 C ATOM 51 N2 DG A 2 -5.177 -1.105 -3.015 1.00 0.00 N ATOM 52 N3 DG A 2 -3.840 -0.722 -4.863 1.00 0.00 N ATOM 53 C4 DG A 2 -2.546 -0.654 -5.251 1.00 0.00 C ATOM 0 H5' DG A 2 -0.719 -0.515 -11.084 1.00 0.00 H new ATOM 0 H5'' DG A 2 -0.589 1.231 -11.159 1.00 0.00 H new ATOM 0 H4' DG A 2 -2.812 0.532 -10.573 1.00 0.00 H new ATOM 0 H3' DG A 2 -1.283 2.160 -8.542 1.00 0.00 H new ATOM 0 H2' DG A 2 -3.076 1.955 -6.956 1.00 0.00 H new ATOM 0 H2'' DG A 2 -4.253 1.581 -8.198 1.00 0.00 H new ATOM 0 H1' DG A 2 -3.905 -0.586 -7.547 1.00 0.00 H new ATOM 0 H8 DG A 2 -0.095 -0.253 -7.286 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.097 -1.395 -1.737 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.009 -0.974 -3.590 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.271 -1.318 -2.022 1.00 0.00 H new ATOM 65 P DG A 3 -2.563 4.377 -9.318 1.00 0.00 P ATOM 66 OP1 DG A 3 -2.917 5.238 -10.469 1.00 0.00 O ATOM 67 OP2 DG A 3 -1.234 4.506 -8.680 1.00 0.00 O ATOM 68 O5' DG A 3 -3.691 4.561 -8.186 1.00 0.00 O ATOM 69 C5' DG A 3 -5.076 4.457 -8.522 1.00 0.00 C ATOM 70 C4' DG A 3 -5.973 4.765 -7.327 1.00 0.00 C ATOM 71 O4' DG A 3 -5.753 3.824 -6.287 1.00 0.00 O ATOM 72 C3' DG A 3 -5.749 6.150 -6.732 1.00 0.00 C ATOM 73 O3' DG A 3 -6.740 7.053 -7.234 1.00 0.00 O ATOM 74 C2' DG A 3 -5.941 5.964 -5.232 1.00 0.00 C ATOM 75 C1' DG A 3 -5.797 4.463 -5.008 1.00 0.00 C ATOM 76 N9 DG A 3 -4.571 4.080 -4.279 1.00 0.00 N ATOM 77 C8 DG A 3 -3.273 4.108 -4.703 1.00 0.00 C ATOM 78 N7 DG A 3 -2.397 3.720 -3.827 1.00 0.00 N ATOM 79 C5 DG A 3 -3.176 3.402 -2.717 1.00 0.00 C ATOM 80 C6 DG A 3 -2.784 2.919 -1.440 1.00 0.00 C ATOM 81 O6 DG A 3 -1.650 2.672 -1.033 1.00 0.00 O ATOM 82 N1 DG A 3 -3.880 2.727 -0.609 1.00 0.00 N ATOM 83 C2 DG A 3 -5.192 2.971 -0.960 1.00 0.00 C ATOM 84 N2 DG A 3 -6.110 2.723 -0.025 1.00 0.00 N ATOM 85 N3 DG A 3 -5.565 3.428 -2.161 1.00 0.00 N ATOM 86 C4 DG A 3 -4.510 3.620 -2.985 1.00 0.00 C ATOM 0 H5' DG A 3 -5.287 3.451 -8.886 1.00 0.00 H new ATOM 0 H5'' DG A 3 -5.305 5.145 -9.336 1.00 0.00 H new ATOM 0 H4' DG A 3 -6.990 4.715 -7.715 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.768 6.557 -6.979 1.00 0.00 H new ATOM 0 H2' DG A 3 -5.196 6.522 -4.665 1.00 0.00 H new ATOM 0 H2'' DG A 3 -6.920 6.321 -4.911 1.00 0.00 H new ATOM 0 H1' DG A 3 -6.648 4.154 -4.400 1.00 0.00 H new ATOM 0 H8 DG A 3 -2.995 4.430 -5.696 1.00 0.00 H new ATOM 0 H1 DG A 3 -3.701 2.379 0.333 1.00 0.00 H new ATOM 0 H21 DG A 3 -7.097 2.884 -0.224 1.00 0.00 H new ATOM 0 H22 DG A 3 -5.825 2.373 0.889 1.00 0.00 H new ATOM 98 P DG A 4 -6.383 8.077 -8.423 1.00 0.00 P ATOM 99 OP1 DG A 4 -4.945 8.416 -8.325 1.00 0.00 O ATOM 100 OP2 DG A 4 -7.398 9.155 -8.426 1.00 0.00 O ATOM 101 O5' DG A 4 -6.602 7.177 -9.740 1.00 0.00 O ATOM 102 C5' DG A 4 -7.911 7.006 -10.290 1.00 0.00 C ATOM 103 C4' DG A 4 -7.860 6.355 -11.669 1.00 0.00 C ATOM 104 O4' DG A 4 -7.158 7.215 -12.561 1.00 0.00 O ATOM 105 C3' DG A 4 -7.162 5.003 -11.681 1.00 0.00 C ATOM 106 O3' DG A 4 -7.853 4.126 -12.579 1.00 0.00 O ATOM 107 C2' DG A 4 -5.763 5.286 -12.212 1.00 0.00 C ATOM 108 C1' DG A 4 -5.857 6.677 -12.835 1.00 0.00 C ATOM 109 N9 DG A 4 -4.865 7.632 -12.307 1.00 0.00 N ATOM 110 C8 DG A 4 -4.403 7.774 -11.030 1.00 0.00 C ATOM 111 N7 DG A 4 -3.522 8.714 -10.864 1.00 0.00 N ATOM 112 C5 DG A 4 -3.382 9.249 -12.143 1.00 0.00 C ATOM 113 C6 DG A 4 -2.557 10.312 -12.599 1.00 0.00 C ATOM 114 O6 DG A 4 -1.773 11.001 -11.950 1.00 0.00 O ATOM 115 N1 DG A 4 -2.718 10.533 -13.961 1.00 0.00 N ATOM 116 C2 DG A 4 -3.568 9.822 -14.784 1.00 0.00 C ATOM 117 N2 DG A 4 -3.587 10.182 -16.067 1.00 0.00 N ATOM 118 N3 DG A 4 -4.345 8.822 -14.358 1.00 0.00 N ATOM 119 C4 DG A 4 -4.201 8.591 -13.033 1.00 0.00 C ATOM 0 H5' DG A 4 -8.405 7.975 -10.362 1.00 0.00 H new ATOM 0 H5'' DG A 4 -8.511 6.391 -9.619 1.00 0.00 H new ATOM 0 H4' DG A 4 -8.895 6.195 -11.973 1.00 0.00 H new ATOM 0 H3' DG A 4 -7.139 4.533 -10.698 1.00 0.00 H new ATOM 0 H2' DG A 4 -5.023 5.260 -11.412 1.00 0.00 H new ATOM 0 H2'' DG A 4 -5.461 4.542 -12.949 1.00 0.00 H new ATOM 0 H1' DG A 4 -5.665 6.553 -13.901 1.00 0.00 H new ATOM 0 H8 DG A 4 -4.745 7.150 -10.217 1.00 0.00 H new ATOM 0 H1 DG A 4 -2.166 11.278 -14.386 1.00 0.00 H new ATOM 0 H21 DG A 4 -4.195 9.694 -16.725 1.00 0.00 H new ATOM 0 H22 DG A 4 -2.994 10.946 -16.391 1.00 0.00 H new ATOM 131 P DC A 5 -9.044 3.182 -12.045 1.00 0.00 P ATOM 132 OP1 DC A 5 -9.724 2.588 -13.219 1.00 0.00 O ATOM 133 OP2 DC A 5 -9.825 3.944 -11.047 1.00 0.00 O ATOM 134 O5' DC A 5 -8.250 2.009 -11.276 1.00 0.00 O ATOM 135 C5' DC A 5 -7.278 1.219 -11.967 1.00 0.00 C ATOM 136 C4' DC A 5 -6.806 0.032 -11.124 1.00 0.00 C ATOM 137 O4' DC A 5 -6.300 0.437 -9.866 1.00 0.00 O ATOM 138 C3' DC A 5 -7.907 -0.981 -10.802 1.00 0.00 C ATOM 139 O3' DC A 5 -7.873 -2.024 -11.786 1.00 0.00 O ATOM 140 C2' DC A 5 -7.545 -1.555 -9.444 1.00 0.00 C ATOM 141 C1' DC A 5 -6.373 -0.699 -8.997 1.00 0.00 C ATOM 142 N1 DC A 5 -6.476 -0.210 -7.607 1.00 0.00 N ATOM 143 C2 DC A 5 -6.153 -1.102 -6.598 1.00 0.00 C ATOM 144 O2 DC A 5 -5.809 -2.249 -6.878 1.00 0.00 O ATOM 145 N3 DC A 5 -6.212 -0.670 -5.308 1.00 0.00 N ATOM 146 C4 DC A 5 -6.572 0.588 -5.018 1.00 0.00 C ATOM 147 N4 DC A 5 -6.616 0.981 -3.744 1.00 0.00 N ATOM 148 C5 DC A 5 -6.907 1.514 -6.059 1.00 0.00 C ATOM 149 C6 DC A 5 -6.847 1.074 -7.333 1.00 0.00 C ATOM 0 H5' DC A 5 -6.423 1.842 -12.228 1.00 0.00 H new ATOM 0 H5'' DC A 5 -7.704 0.854 -12.902 1.00 0.00 H new ATOM 0 H4' DC A 5 -6.040 -0.425 -11.751 1.00 0.00 H new ATOM 0 H3' DC A 5 -8.900 -0.532 -10.800 1.00 0.00 H new ATOM 0 H2' DC A 5 -8.379 -1.489 -8.745 1.00 0.00 H new ATOM 0 H2'' DC A 5 -7.270 -2.607 -9.514 1.00 0.00 H new ATOM 0 H1' DC A 5 -5.485 -1.329 -9.042 1.00 0.00 H new ATOM 0 H41 DC A 5 -6.889 1.937 -3.514 1.00 0.00 H new ATOM 0 H42 DC A 5 -6.377 0.326 -3.000 1.00 0.00 H new ATOM 0 H5 DC A 5 -7.197 2.529 -5.832 1.00 0.00 H new ATOM 0 H6 DC A 5 -7.095 1.744 -8.143 1.00 0.00 H new ATOM 161 P DG A 6 -9.143 -2.993 -12.006 1.00 0.00 P ATOM 162 OP1 DG A 6 -8.884 -3.831 -13.199 1.00 0.00 O ATOM 163 OP2 DG A 6 -10.370 -2.166 -11.942 1.00 0.00 O ATOM 164 O5' DG A 6 -9.103 -3.945 -10.703 1.00 0.00 O ATOM 165 C5' DG A 6 -10.264 -4.686 -10.313 1.00 0.00 C ATOM 166 C4' DG A 6 -10.066 -5.425 -8.988 1.00 0.00 C ATOM 167 O4' DG A 6 -9.025 -6.393 -9.088 1.00 0.00 O ATOM 168 C3' DG A 6 -9.680 -4.540 -7.817 1.00 0.00 C ATOM 169 O3' DG A 6 -10.855 -3.992 -7.216 1.00 0.00 O ATOM 170 C2' DG A 6 -9.016 -5.517 -6.854 1.00 0.00 C ATOM 171 C1' DG A 6 -8.467 -6.603 -7.782 1.00 0.00 C ATOM 172 N9 DG A 6 -7.002 -6.577 -7.901 1.00 0.00 N ATOM 173 C8 DG A 6 -6.222 -5.896 -8.788 1.00 0.00 C ATOM 174 N7 DG A 6 -4.943 -6.053 -8.629 1.00 0.00 N ATOM 175 C5 DG A 6 -4.861 -6.917 -7.539 1.00 0.00 C ATOM 176 C6 DG A 6 -3.721 -7.458 -6.890 1.00 0.00 C ATOM 177 O6 DG A 6 -2.536 -7.275 -7.155 1.00 0.00 O ATOM 178 N1 DG A 6 -4.080 -8.284 -5.833 1.00 0.00 N ATOM 179 C2 DG A 6 -5.374 -8.558 -5.444 1.00 0.00 C ATOM 180 N2 DG A 6 -5.515 -9.376 -4.400 1.00 0.00 N ATOM 181 N3 DG A 6 -6.450 -8.051 -6.053 1.00 0.00 N ATOM 182 C4 DG A 6 -6.119 -7.243 -7.088 1.00 0.00 C ATOM 0 H5' DG A 6 -10.512 -5.405 -11.094 1.00 0.00 H new ATOM 0 H5'' DG A 6 -11.112 -4.007 -10.224 1.00 0.00 H new ATOM 0 H4' DG A 6 -11.044 -5.867 -8.800 1.00 0.00 H new ATOM 0 H3' DG A 6 -9.041 -3.702 -8.097 1.00 0.00 H new ATOM 0 H2' DG A 6 -8.222 -5.039 -6.279 1.00 0.00 H new ATOM 0 H2'' DG A 6 -9.729 -5.923 -6.137 1.00 0.00 H new ATOM 0 H1' DG A 6 -8.742 -7.568 -7.357 1.00 0.00 H new ATOM 0 H8 DG A 6 -6.637 -5.272 -9.565 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.327 -8.723 -5.303 1.00 0.00 H new ATOM 0 H21 DG A 6 -6.447 -9.618 -4.064 1.00 0.00 H new ATOM 0 H22 DG A 6 -4.691 -9.760 -3.938 1.00 0.00 H new ATOM 194 P DG A 7 -10.769 -2.656 -6.319 1.00 0.00 P ATOM 195 OP1 DG A 7 -12.118 -2.047 -6.275 1.00 0.00 O ATOM 196 OP2 DG A 7 -9.613 -1.856 -6.780 1.00 0.00 O ATOM 197 O5' DG A 7 -10.428 -3.236 -4.853 1.00 0.00 O ATOM 198 C5' DG A 7 -11.335 -4.139 -4.221 1.00 0.00 C ATOM 199 C4' DG A 7 -10.999 -4.377 -2.746 1.00 0.00 C ATOM 200 O4' DG A 7 -9.726 -5.009 -2.547 1.00 0.00 O ATOM 201 C3' DG A 7 -10.936 -3.113 -1.878 1.00 0.00 C ATOM 202 O3' DG A 7 -12.250 -2.774 -1.417 1.00 0.00 O ATOM 203 C2' DG A 7 -10.073 -3.567 -0.693 1.00 0.00 C ATOM 204 C1' DG A 7 -9.568 -4.932 -1.137 1.00 0.00 C ATOM 205 N9 DG A 7 -8.162 -5.222 -0.765 1.00 0.00 N ATOM 206 C8 DG A 7 -7.691 -5.577 0.466 1.00 0.00 C ATOM 207 N7 DG A 7 -6.410 -5.748 0.546 1.00 0.00 N ATOM 208 C5 DG A 7 -5.967 -5.489 -0.745 1.00 0.00 C ATOM 209 C6 DG A 7 -4.645 -5.521 -1.264 1.00 0.00 C ATOM 210 O6 DG A 7 -3.601 -5.777 -0.669 1.00 0.00 O ATOM 211 N1 DG A 7 -4.617 -5.202 -2.610 1.00 0.00 N ATOM 212 C2 DG A 7 -5.725 -4.890 -3.373 1.00 0.00 C ATOM 213 N2 DG A 7 -5.490 -4.615 -4.656 1.00 0.00 N ATOM 214 N3 DG A 7 -6.980 -4.856 -2.890 1.00 0.00 N ATOM 215 C4 DG A 7 -7.028 -5.165 -1.569 1.00 0.00 C ATOM 0 H5' DG A 7 -11.322 -5.091 -4.751 1.00 0.00 H new ATOM 0 H5'' DG A 7 -12.348 -3.745 -4.300 1.00 0.00 H new ATOM 0 H4' DG A 7 -11.832 -5.010 -2.442 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.545 -2.240 -2.400 1.00 0.00 H new ATOM 0 H2' DG A 7 -9.252 -2.875 -0.504 1.00 0.00 H new ATOM 0 H2'' DG A 7 -10.654 -3.632 0.227 1.00 0.00 H new ATOM 0 H1' DG A 7 -10.156 -5.686 -0.613 1.00 0.00 H new ATOM 0 H8 DG A 7 -8.343 -5.707 1.317 1.00 0.00 H new ATOM 0 H1 DG A 7 -3.709 -5.197 -3.074 1.00 0.00 H new ATOM 0 H21 DG A 7 -6.264 -4.376 -5.276 1.00 0.00 H new ATOM 0 H22 DG A 7 -4.537 -4.643 -5.017 1.00 0.00 H new ATOM 227 P DG A 8 -12.629 -1.257 -1.039 1.00 0.00 P ATOM 228 OP1 DG A 8 -14.061 -1.225 -0.664 1.00 0.00 O ATOM 229 OP2 DG A 8 -12.128 -0.374 -2.113 1.00 0.00 O ATOM 230 O5' DG A 8 -11.754 -0.992 0.288 1.00 0.00 O ATOM 231 C5' DG A 8 -11.998 -1.753 1.474 1.00 0.00 C ATOM 232 C4' DG A 8 -10.772 -1.804 2.380 1.00 0.00 C ATOM 233 O4' DG A 8 -9.613 -2.258 1.670 1.00 0.00 O ATOM 234 C3' DG A 8 -10.372 -0.461 2.970 1.00 0.00 C ATOM 235 O3' DG A 8 -11.013 -0.276 4.235 1.00 0.00 O ATOM 236 C2' DG A 8 -8.863 -0.581 3.176 1.00 0.00 C ATOM 237 C1' DG A 8 -8.501 -1.901 2.489 1.00 0.00 C ATOM 238 N9 DG A 8 -7.302 -1.832 1.632 1.00 0.00 N ATOM 239 C8 DG A 8 -7.197 -1.491 0.314 1.00 0.00 C ATOM 240 N7 DG A 8 -5.988 -1.511 -0.167 1.00 0.00 N ATOM 241 C5 DG A 8 -5.217 -1.902 0.928 1.00 0.00 C ATOM 242 C6 DG A 8 -3.813 -2.105 1.031 1.00 0.00 C ATOM 243 O6 DG A 8 -2.956 -1.972 0.158 1.00 0.00 O ATOM 244 N1 DG A 8 -3.447 -2.498 2.312 1.00 0.00 N ATOM 245 C2 DG A 8 -4.320 -2.676 3.366 1.00 0.00 C ATOM 246 N2 DG A 8 -3.783 -3.063 4.522 1.00 0.00 N ATOM 247 N3 DG A 8 -5.638 -2.484 3.274 1.00 0.00 N ATOM 248 C4 DG A 8 -6.016 -2.101 2.032 1.00 0.00 C ATOM 0 H5' DG A 8 -12.290 -2.767 1.201 1.00 0.00 H new ATOM 0 H5'' DG A 8 -12.835 -1.317 2.020 1.00 0.00 H new ATOM 0 H4' DG A 8 -11.076 -2.484 3.175 1.00 0.00 H new ATOM 0 H3' DG A 8 -10.651 0.379 2.333 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.331 0.260 2.731 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.604 -0.598 4.235 1.00 0.00 H new ATOM 0 H1' DG A 8 -8.276 -2.628 3.269 1.00 0.00 H new ATOM 0 H8 DG A 8 -8.055 -1.224 -0.286 1.00 0.00 H new ATOM 0 H1 DG A 8 -2.457 -2.668 2.487 1.00 0.00 H new ATOM 0 H21 DG A 8 -4.378 -3.211 5.337 1.00 0.00 H new ATOM 0 H22 DG A 8 -2.776 -3.212 4.592 1.00 0.00 H new ATOM 260 P DG A 9 -10.870 1.122 5.019 1.00 0.00 P ATOM 261 OP1 DG A 9 -11.910 1.173 6.070 1.00 0.00 O ATOM 262 OP2 DG A 9 -10.785 2.204 4.013 1.00 0.00 O ATOM 263 O5' DG A 9 -9.432 0.982 5.734 1.00 0.00 O ATOM 264 C5' DG A 9 -9.161 -0.106 6.622 1.00 0.00 C ATOM 265 C4' DG A 9 -7.674 -0.203 6.969 1.00 0.00 C ATOM 266 O4' DG A 9 -6.885 -0.153 5.758 1.00 0.00 O ATOM 267 C3' DG A 9 -7.158 0.947 7.854 1.00 0.00 C ATOM 268 O3' DG A 9 -6.214 0.438 8.808 1.00 0.00 O ATOM 269 C2' DG A 9 -6.412 1.821 6.867 1.00 0.00 C ATOM 270 C1' DG A 9 -5.803 0.732 6.021 1.00 0.00 C ATOM 271 N9 DG A 9 -5.192 1.161 4.754 1.00 0.00 N ATOM 272 C8 DG A 9 -5.769 1.617 3.604 1.00 0.00 C ATOM 273 N7 DG A 9 -4.930 1.928 2.657 1.00 0.00 N ATOM 274 C5 DG A 9 -3.687 1.654 3.231 1.00 0.00 C ATOM 275 C6 DG A 9 -2.376 1.790 2.693 1.00 0.00 C ATOM 276 O6 DG A 9 -2.046 2.195 1.581 1.00 0.00 O ATOM 277 N1 DG A 9 -1.407 1.399 3.612 1.00 0.00 N ATOM 278 C2 DG A 9 -1.664 0.935 4.886 1.00 0.00 C ATOM 279 N2 DG A 9 -0.605 0.602 5.624 1.00 0.00 N ATOM 280 N3 DG A 9 -2.889 0.808 5.389 1.00 0.00 N ATOM 281 C4 DG A 9 -3.846 1.185 4.512 1.00 0.00 C ATOM 0 H5' DG A 9 -9.488 -1.039 6.163 1.00 0.00 H new ATOM 0 H5'' DG A 9 -9.740 0.020 7.537 1.00 0.00 H new ATOM 0 H4' DG A 9 -7.573 -1.142 7.513 1.00 0.00 H new ATOM 0 H3' DG A 9 -7.951 1.457 8.400 1.00 0.00 H new ATOM 0 H2' DG A 9 -7.072 2.478 6.300 1.00 0.00 H new ATOM 0 H2'' DG A 9 -5.664 2.455 7.344 1.00 0.00 H new ATOM 0 H1' DG A 9 -4.965 0.294 6.564 1.00 0.00 H new ATOM 0 H8 DG A 9 -6.838 1.713 3.488 1.00 0.00 H new ATOM 0 H1 DG A 9 -0.431 1.460 3.321 1.00 0.00 H new ATOM 0 H21 DG A 9 -0.735 0.253 6.574 1.00 0.00 H new ATOM 0 H22 DG A 9 0.335 0.696 5.239 1.00 0.00 H new ATOM 293 P DC A 10 -6.687 -0.197 10.207 1.00 0.00 P ATOM 294 OP1 DC A 10 -7.925 0.489 10.634 1.00 0.00 O ATOM 295 OP2 DC A 10 -5.516 -0.241 11.112 1.00 0.00 O ATOM 296 O5' DC A 10 -7.056 -1.707 9.794 1.00 0.00 O ATOM 297 C5' DC A 10 -6.021 -2.662 9.547 1.00 0.00 C ATOM 298 C4' DC A 10 -6.589 -4.068 9.385 1.00 0.00 C ATOM 299 O4' DC A 10 -7.201 -4.474 10.611 1.00 0.00 O ATOM 300 C3' DC A 10 -7.644 -4.172 8.296 1.00 0.00 C ATOM 301 O3' DC A 10 -7.600 -5.476 7.711 1.00 0.00 O ATOM 302 C2' DC A 10 -8.953 -3.988 9.045 1.00 0.00 C ATOM 303 C1' DC A 10 -8.628 -4.473 10.457 1.00 0.00 C ATOM 304 N1 DC A 10 -9.185 -3.629 11.532 1.00 0.00 N ATOM 305 C2 DC A 10 -10.469 -3.915 11.969 1.00 0.00 C ATOM 306 O2 DC A 10 -11.102 -4.836 11.457 1.00 0.00 O ATOM 307 N3 DC A 10 -10.995 -3.159 12.972 1.00 0.00 N ATOM 308 C4 DC A 10 -10.291 -2.160 13.522 1.00 0.00 C ATOM 309 N4 DC A 10 -10.835 -1.440 14.504 1.00 0.00 N ATOM 310 C5 DC A 10 -8.966 -1.859 13.073 1.00 0.00 C ATOM 311 C6 DC A 10 -8.455 -2.614 12.080 1.00 0.00 C ATOM 0 H5' DC A 10 -5.307 -2.649 10.371 1.00 0.00 H new ATOM 0 H5'' DC A 10 -5.474 -2.383 8.647 1.00 0.00 H new ATOM 0 H4' DC A 10 -5.749 -4.705 9.108 1.00 0.00 H new ATOM 0 H3' DC A 10 -7.507 -3.447 7.493 1.00 0.00 H new ATOM 0 H2' DC A 10 -9.274 -2.946 9.042 1.00 0.00 H new ATOM 0 H2'' DC A 10 -9.758 -4.570 8.596 1.00 0.00 H new ATOM 0 H1' DC A 10 -9.077 -5.461 10.555 1.00 0.00 H new ATOM 0 H41 DC A 10 -10.308 -0.677 14.930 1.00 0.00 H new ATOM 0 H42 DC A 10 -11.778 -1.652 14.829 1.00 0.00 H new ATOM 0 H5 DC A 10 -8.395 -1.055 13.514 1.00 0.00 H new ATOM 0 H6 DC A 10 -7.459 -2.414 11.715 1.00 0.00 H new ATOM 323 P DG A 11 -6.750 -5.733 6.368 1.00 0.00 P ATOM 324 OP1 DG A 11 -6.642 -4.454 5.634 1.00 0.00 O ATOM 325 OP2 DG A 11 -7.303 -6.930 5.693 1.00 0.00 O ATOM 326 O5' DG A 11 -5.292 -6.107 6.941 1.00 0.00 O ATOM 327 C5' DG A 11 -5.123 -7.254 7.773 1.00 0.00 C ATOM 328 C4' DG A 11 -3.651 -7.597 7.986 1.00 0.00 C ATOM 329 O4' DG A 11 -3.053 -8.081 6.779 1.00 0.00 O ATOM 330 C3' DG A 11 -2.790 -6.431 8.443 1.00 0.00 C ATOM 331 O3' DG A 11 -2.768 -6.382 9.875 1.00 0.00 O ATOM 332 C2' DG A 11 -1.397 -6.770 7.918 1.00 0.00 C ATOM 333 C1' DG A 11 -1.640 -7.894 6.905 1.00 0.00 C ATOM 334 N9 DG A 11 -1.087 -7.615 5.566 1.00 0.00 N ATOM 335 C8 DG A 11 0.208 -7.709 5.148 1.00 0.00 C ATOM 336 N7 DG A 11 0.415 -7.385 3.908 1.00 0.00 N ATOM 337 C5 DG A 11 -0.856 -7.042 3.452 1.00 0.00 C ATOM 338 C6 DG A 11 -1.270 -6.603 2.167 1.00 0.00 C ATOM 339 O6 DG A 11 -0.584 -6.428 1.163 1.00 0.00 O ATOM 340 N1 DG A 11 -2.638 -6.364 2.127 1.00 0.00 N ATOM 341 C2 DG A 11 -3.501 -6.525 3.189 1.00 0.00 C ATOM 342 N2 DG A 11 -4.783 -6.240 2.953 1.00 0.00 N ATOM 343 N3 DG A 11 -3.116 -6.941 4.401 1.00 0.00 N ATOM 344 C4 DG A 11 -1.785 -7.180 4.461 1.00 0.00 C ATOM 0 H5' DG A 11 -5.632 -8.106 7.323 1.00 0.00 H new ATOM 0 H5'' DG A 11 -5.596 -7.074 8.738 1.00 0.00 H new ATOM 0 H4' DG A 11 -3.674 -8.351 8.773 1.00 0.00 H new ATOM 0 H3' DG A 11 -3.154 -5.468 8.085 1.00 0.00 H new ATOM 0 H2' DG A 11 -0.927 -5.906 7.449 1.00 0.00 H new ATOM 0 H2'' DG A 11 -0.736 -7.094 8.722 1.00 0.00 H new ATOM 0 H1' DG A 11 -1.131 -8.782 7.280 1.00 0.00 H new ATOM 0 H8 DG A 11 1.005 -8.030 5.802 1.00 0.00 H new ATOM 0 H1 DG A 11 -3.034 -6.045 1.243 1.00 0.00 H new ATOM 0 H21 DG A 11 -5.473 -6.339 3.698 1.00 0.00 H new ATOM 0 H22 DG A 11 -5.073 -5.924 2.028 1.00 0.00 H new ATOM 356 P DG A 12 -2.677 -4.969 10.641 1.00 0.00 P ATOM 357 OP1 DG A 12 -2.707 -5.226 12.098 1.00 0.00 O ATOM 358 OP2 DG A 12 -3.665 -4.054 10.030 1.00 0.00 O ATOM 359 O5' DG A 12 -1.201 -4.454 10.251 1.00 0.00 O ATOM 360 C5' DG A 12 -0.047 -5.177 10.687 1.00 0.00 C ATOM 361 C4' DG A 12 1.182 -4.837 9.847 1.00 0.00 C ATOM 362 O4' DG A 12 0.934 -5.094 8.473 1.00 0.00 O ATOM 363 C3' DG A 12 1.608 -3.379 9.927 1.00 0.00 C ATOM 364 O3' DG A 12 2.579 -3.225 10.965 1.00 0.00 O ATOM 365 C2' DG A 12 2.250 -3.091 8.574 1.00 0.00 C ATOM 366 C1' DG A 12 1.735 -4.216 7.671 1.00 0.00 C ATOM 367 N9 DG A 12 0.900 -3.753 6.546 1.00 0.00 N ATOM 368 C8 DG A 12 -0.449 -3.543 6.504 1.00 0.00 C ATOM 369 N7 DG A 12 -0.906 -3.123 5.361 1.00 0.00 N ATOM 370 C5 DG A 12 0.239 -3.047 4.569 1.00 0.00 C ATOM 371 C6 DG A 12 0.382 -2.648 3.213 1.00 0.00 C ATOM 372 O6 DG A 12 -0.490 -2.273 2.433 1.00 0.00 O ATOM 373 N1 DG A 12 1.706 -2.718 2.800 1.00 0.00 N ATOM 374 C2 DG A 12 2.763 -3.119 3.590 1.00 0.00 C ATOM 375 N2 DG A 12 3.964 -3.123 3.011 1.00 0.00 N ATOM 376 N3 DG A 12 2.632 -3.491 4.866 1.00 0.00 N ATOM 377 C4 DG A 12 1.349 -3.431 5.288 1.00 0.00 C ATOM 0 H5' DG A 12 -0.244 -6.247 10.627 1.00 0.00 H new ATOM 0 H5'' DG A 12 0.153 -4.947 11.734 1.00 0.00 H new ATOM 0 H4' DG A 12 1.972 -5.464 10.260 1.00 0.00 H new ATOM 0 H3' DG A 12 0.777 -2.708 10.144 1.00 0.00 H new ATOM 0 H2' DG A 12 1.960 -2.111 8.195 1.00 0.00 H new ATOM 0 H2'' DG A 12 3.338 -3.098 8.639 1.00 0.00 H new ATOM 0 H1' DG A 12 2.612 -4.701 7.241 1.00 0.00 H new ATOM 0 H8 DG A 12 -1.089 -3.713 7.357 1.00 0.00 H new ATOM 0 H1 DG A 12 1.913 -2.452 1.837 1.00 0.00 H new ATOM 0 H21 DG A 12 4.786 -3.410 3.543 1.00 0.00 H new ATOM 0 H22 DG A 12 4.061 -2.839 2.036 1.00 0.00 H new ATOM 389 P DG A 13 2.981 -1.757 11.490 1.00 0.00 P ATOM 390 OP1 DG A 13 3.679 -1.905 12.787 1.00 0.00 O ATOM 391 OP2 DG A 13 1.789 -0.885 11.388 1.00 0.00 O ATOM 392 O5' DG A 13 4.054 -1.277 10.391 1.00 0.00 O ATOM 393 C5' DG A 13 5.263 -2.016 10.195 1.00 0.00 C ATOM 394 C4' DG A 13 6.026 -1.550 8.957 1.00 0.00 C ATOM 395 O4' DG A 13 5.212 -1.649 7.814 1.00 0.00 O ATOM 396 C3' DG A 13 6.497 -0.104 9.019 1.00 0.00 C ATOM 397 O3' DG A 13 7.834 -0.060 9.519 1.00 0.00 O ATOM 398 C2' DG A 13 6.476 0.362 7.563 1.00 0.00 C ATOM 399 C1' DG A 13 5.629 -0.688 6.841 1.00 0.00 C ATOM 400 N9 DG A 13 4.422 -0.146 6.191 1.00 0.00 N ATOM 401 C8 DG A 13 3.173 0.046 6.709 1.00 0.00 C ATOM 402 N7 DG A 13 2.306 0.553 5.884 1.00 0.00 N ATOM 403 C5 DG A 13 3.040 0.715 4.710 1.00 0.00 C ATOM 404 C6 DG A 13 2.638 1.231 3.447 1.00 0.00 C ATOM 405 O6 DG A 13 1.534 1.657 3.113 1.00 0.00 O ATOM 406 N1 DG A 13 3.687 1.220 2.537 1.00 0.00 N ATOM 407 C2 DG A 13 4.963 0.770 2.803 1.00 0.00 C ATOM 408 N2 DG A 13 5.836 0.833 1.797 1.00 0.00 N ATOM 409 N3 DG A 13 5.343 0.288 3.989 1.00 0.00 N ATOM 410 C4 DG A 13 4.336 0.290 4.892 1.00 0.00 C ATOM 0 H5' DG A 13 5.028 -3.076 10.098 1.00 0.00 H new ATOM 0 H5'' DG A 13 5.899 -1.910 11.074 1.00 0.00 H new ATOM 0 H4' DG A 13 6.898 -2.202 8.913 1.00 0.00 H new ATOM 0 H3' DG A 13 5.878 0.516 9.668 1.00 0.00 H new ATOM 0 H2' DG A 13 6.040 1.357 7.470 1.00 0.00 H new ATOM 0 H2'' DG A 13 7.482 0.415 7.148 1.00 0.00 H new ATOM 0 H1' DG A 13 6.248 -1.112 6.050 1.00 0.00 H new ATOM 0 H8 DG A 13 2.924 -0.205 7.729 1.00 0.00 H new ATOM 0 H1 DG A 13 3.499 1.572 1.598 1.00 0.00 H new ATOM 0 H21 DG A 13 6.795 0.515 1.934 1.00 0.00 H new ATOM 0 H22 DG A 13 5.544 1.200 0.891 1.00 0.00 H new ATOM 422 P DG A 14 8.350 1.219 10.347 1.00 0.00 P ATOM 423 OP1 DG A 14 9.663 0.888 10.946 1.00 0.00 O ATOM 424 OP2 DG A 14 7.242 1.685 11.211 1.00 0.00 O ATOM 425 O5' DG A 14 8.587 2.314 9.191 1.00 0.00 O ATOM 426 C5' DG A 14 9.505 2.058 8.122 1.00 0.00 C ATOM 427 C4' DG A 14 9.242 2.962 6.921 1.00 0.00 C ATOM 428 O4' DG A 14 7.842 2.875 6.603 1.00 0.00 O ATOM 429 C3' DG A 14 9.579 4.430 7.173 1.00 0.00 C ATOM 430 O3' DG A 14 10.374 4.914 6.086 1.00 0.00 O ATOM 431 C2' DG A 14 8.250 5.175 7.194 1.00 0.00 C ATOM 432 C1' DG A 14 7.202 4.130 6.843 1.00 0.00 C ATOM 433 N9 DG A 14 6.203 3.919 7.903 1.00 0.00 N ATOM 434 C8 DG A 14 6.395 3.616 9.219 1.00 0.00 C ATOM 435 N7 DG A 14 5.309 3.483 9.919 1.00 0.00 N ATOM 436 C5 DG A 14 4.300 3.719 8.987 1.00 0.00 C ATOM 437 C6 DG A 14 2.890 3.714 9.151 1.00 0.00 C ATOM 438 O6 DG A 14 2.242 3.504 10.175 1.00 0.00 O ATOM 439 N1 DG A 14 2.237 3.996 7.958 1.00 0.00 N ATOM 440 C2 DG A 14 2.862 4.250 6.754 1.00 0.00 C ATOM 441 N2 DG A 14 2.066 4.493 5.713 1.00 0.00 N ATOM 442 N3 DG A 14 4.189 4.258 6.597 1.00 0.00 N ATOM 443 C4 DG A 14 4.842 3.984 7.749 1.00 0.00 C ATOM 0 H5' DG A 14 9.425 1.015 7.816 1.00 0.00 H new ATOM 0 H5'' DG A 14 10.525 2.210 8.475 1.00 0.00 H new ATOM 0 H4' DG A 14 9.886 2.620 6.110 1.00 0.00 H new ATOM 0 H3' DG A 14 10.128 4.567 8.104 1.00 0.00 H new ATOM 0 H2' DG A 14 8.058 5.611 8.174 1.00 0.00 H new ATOM 0 H2'' DG A 14 8.246 5.994 6.475 1.00 0.00 H new ATOM 0 H1' DG A 14 6.686 4.507 5.960 1.00 0.00 H new ATOM 0 H8 DG A 14 7.379 3.495 9.648 1.00 0.00 H new ATOM 0 H1 DG A 14 1.217 4.017 7.973 1.00 0.00 H new ATOM 0 H21 DG A 14 2.470 4.688 4.797 1.00 0.00 H new ATOM 0 H22 DG A 14 1.053 4.484 5.833 1.00 0.00 H new ATOM 455 P DC A 15 11.946 5.195 6.273 1.00 0.00 P ATOM 456 OP1 DC A 15 12.169 5.710 7.642 1.00 0.00 O ATOM 457 OP2 DC A 15 12.419 5.973 5.107 1.00 0.00 O ATOM 458 O5' DC A 15 12.579 3.717 6.180 1.00 0.00 O ATOM 459 C5' DC A 15 13.102 3.236 4.941 1.00 0.00 C ATOM 460 C4' DC A 15 13.805 1.894 5.113 1.00 0.00 C ATOM 461 O4' DC A 15 14.899 2.046 6.022 1.00 0.00 O ATOM 462 C3' DC A 15 12.909 0.796 5.668 1.00 0.00 C ATOM 463 O3' DC A 15 13.324 -0.470 5.147 1.00 0.00 O ATOM 464 C2' DC A 15 13.179 0.840 7.160 1.00 0.00 C ATOM 465 C1' DC A 15 14.621 1.327 7.232 1.00 0.00 C ATOM 466 N1 DC A 15 14.899 2.229 8.365 1.00 0.00 N ATOM 467 C2 DC A 15 15.268 1.644 9.564 1.00 0.00 C ATOM 468 O2 DC A 15 15.342 0.420 9.654 1.00 0.00 O ATOM 469 N3 DC A 15 15.538 2.454 10.623 1.00 0.00 N ATOM 470 C4 DC A 15 15.450 3.785 10.510 1.00 0.00 C ATOM 471 N4 DC A 15 15.724 4.548 11.569 1.00 0.00 N ATOM 472 C5 DC A 15 15.069 4.395 9.274 1.00 0.00 C ATOM 473 C6 DC A 15 14.803 3.584 8.231 1.00 0.00 C ATOM 0 H5' DC A 15 13.802 3.965 4.533 1.00 0.00 H new ATOM 0 H5'' DC A 15 12.292 3.133 4.219 1.00 0.00 H new ATOM 0 H4' DC A 15 14.126 1.596 4.115 1.00 0.00 H new ATOM 0 H3' DC A 15 11.857 0.930 5.415 1.00 0.00 H new ATOM 0 H2' DC A 15 12.498 1.518 7.674 1.00 0.00 H new ATOM 0 H2'' DC A 15 13.060 -0.141 7.621 1.00 0.00 H new ATOM 0 H1' DC A 15 15.248 0.446 7.368 1.00 0.00 H new ATOM 0 H41 DC A 15 15.661 5.563 11.496 1.00 0.00 H new ATOM 0 H42 DC A 15 15.997 4.116 12.452 1.00 0.00 H new ATOM 0 H5 DC A 15 14.997 5.468 9.180 1.00 0.00 H new ATOM 0 H6 DC A 15 14.512 4.009 7.282 1.00 0.00 H new ATOM 485 P DG A 16 12.705 -1.031 3.773 1.00 0.00 P ATOM 486 OP1 DG A 16 13.139 -2.437 3.614 1.00 0.00 O ATOM 487 OP2 DG A 16 12.986 -0.048 2.703 1.00 0.00 O ATOM 488 O5' DG A 16 11.122 -1.021 4.069 1.00 0.00 O ATOM 489 C5' DG A 16 10.593 -1.667 5.233 1.00 0.00 C ATOM 490 C4' DG A 16 9.069 -1.608 5.270 1.00 0.00 C ATOM 491 O4' DG A 16 8.664 -0.237 5.247 1.00 0.00 O ATOM 492 C3' DG A 16 8.403 -2.320 4.101 1.00 0.00 C ATOM 493 O3' DG A 16 7.336 -3.139 4.594 1.00 0.00 O ATOM 494 C2' DG A 16 7.828 -1.216 3.217 1.00 0.00 C ATOM 495 C1' DG A 16 8.034 0.078 4.003 1.00 0.00 C ATOM 496 N9 DG A 16 8.886 1.063 3.314 1.00 0.00 N ATOM 497 C8 DG A 16 10.081 0.873 2.680 1.00 0.00 C ATOM 498 N7 DG A 16 10.599 1.937 2.146 1.00 0.00 N ATOM 499 C5 DG A 16 9.669 2.931 2.450 1.00 0.00 C ATOM 500 C6 DG A 16 9.682 4.316 2.132 1.00 0.00 C ATOM 501 O6 DG A 16 10.528 4.947 1.503 1.00 0.00 O ATOM 502 N1 DG A 16 8.557 4.962 2.629 1.00 0.00 N ATOM 503 C2 DG A 16 7.544 4.354 3.344 1.00 0.00 C ATOM 504 N2 DG A 16 6.549 5.145 3.745 1.00 0.00 N ATOM 505 N3 DG A 16 7.529 3.051 3.642 1.00 0.00 N ATOM 506 C4 DG A 16 8.618 2.404 3.167 1.00 0.00 C ATOM 0 H5' DG A 16 10.997 -1.193 6.127 1.00 0.00 H new ATOM 0 H5'' DG A 16 10.917 -2.708 5.250 1.00 0.00 H new ATOM 0 H4' DG A 16 8.756 -2.118 6.181 1.00 0.00 H new ATOM 0 H3' DG A 16 9.103 -2.953 3.556 1.00 0.00 H new ATOM 0 H2' DG A 16 8.338 -1.177 2.255 1.00 0.00 H new ATOM 0 H2'' DG A 16 6.771 -1.387 3.011 1.00 0.00 H new ATOM 0 H1' DG A 16 7.047 0.523 4.128 1.00 0.00 H new ATOM 0 H8 DG A 16 10.561 -0.093 2.627 1.00 0.00 H new ATOM 0 H1 DG A 16 8.473 5.963 2.452 1.00 0.00 H new ATOM 0 H21 DG A 16 5.771 4.756 4.277 1.00 0.00 H new ATOM 0 H22 DG A 16 6.566 6.140 3.520 1.00 0.00 H new ATOM 518 P DG A 17 6.684 -4.286 3.669 1.00 0.00 P ATOM 519 OP1 DG A 17 6.478 -3.728 2.315 1.00 0.00 O ATOM 520 OP2 DG A 17 5.545 -4.885 4.405 1.00 0.00 O ATOM 521 O5' DG A 17 7.868 -5.378 3.583 1.00 0.00 O ATOM 522 C5' DG A 17 7.626 -6.664 3.011 1.00 0.00 C ATOM 523 C4' DG A 17 8.202 -6.772 1.600 1.00 0.00 C ATOM 524 O4' DG A 17 7.239 -7.416 0.745 1.00 0.00 O ATOM 525 C3' DG A 17 8.574 -5.433 0.966 1.00 0.00 C ATOM 526 O3' DG A 17 10.003 -5.316 0.925 1.00 0.00 O ATOM 527 C2' DG A 17 8.020 -5.480 -0.460 1.00 0.00 C ATOM 528 C1' DG A 17 7.287 -6.821 -0.551 1.00 0.00 C ATOM 529 N9 DG A 17 5.905 -6.701 -1.038 1.00 0.00 N ATOM 530 C8 DG A 17 5.470 -6.524 -2.314 1.00 0.00 C ATOM 531 N7 DG A 17 4.183 -6.445 -2.456 1.00 0.00 N ATOM 532 C5 DG A 17 3.710 -6.581 -1.151 1.00 0.00 C ATOM 533 C6 DG A 17 2.378 -6.576 -0.659 1.00 0.00 C ATOM 534 O6 DG A 17 1.333 -6.449 -1.294 1.00 0.00 O ATOM 535 N1 DG A 17 2.341 -6.741 0.719 1.00 0.00 N ATOM 536 C2 DG A 17 3.448 -6.891 1.527 1.00 0.00 C ATOM 537 N2 DG A 17 3.209 -7.028 2.830 1.00 0.00 N ATOM 538 N3 DG A 17 4.705 -6.899 1.069 1.00 0.00 N ATOM 539 C4 DG A 17 4.761 -6.740 -0.274 1.00 0.00 C ATOM 0 H5' DG A 17 6.553 -6.853 2.982 1.00 0.00 H new ATOM 0 H5'' DG A 17 8.068 -7.433 3.644 1.00 0.00 H new ATOM 0 H4' DG A 17 9.123 -7.346 1.698 1.00 0.00 H new ATOM 0 H3' DG A 17 8.174 -4.587 1.525 1.00 0.00 H new ATOM 0 H2' DG A 17 7.344 -4.646 -0.649 1.00 0.00 H new ATOM 0 H2'' DG A 17 8.820 -5.416 -1.197 1.00 0.00 H new ATOM 0 H1' DG A 17 7.843 -7.428 -1.266 1.00 0.00 H new ATOM 0 H8 DG A 17 6.149 -6.454 -3.151 1.00 0.00 H new ATOM 0 H1 DG A 17 1.425 -6.752 1.168 1.00 0.00 H new ATOM 0 H21 DG A 17 3.985 -7.143 3.482 1.00 0.00 H new ATOM 0 H22 DG A 17 2.250 -7.018 3.176 1.00 0.00 H new ATOM 551 P DG A 18 10.722 -3.941 1.355 1.00 0.00 P ATOM 552 OP1 DG A 18 12.181 -4.102 1.165 1.00 0.00 O ATOM 553 OP2 DG A 18 10.190 -3.542 2.678 1.00 0.00 O ATOM 554 O5' DG A 18 10.177 -2.907 0.243 1.00 0.00 O ATOM 555 C5' DG A 18 10.592 -3.037 -1.121 1.00 0.00 C ATOM 556 C4' DG A 18 9.614 -2.371 -2.086 1.00 0.00 C ATOM 557 O4' DG A 18 8.340 -2.982 -1.982 1.00 0.00 O ATOM 558 C3' DG A 18 9.394 -0.900 -1.824 1.00 0.00 C ATOM 559 O3' DG A 18 10.374 -0.134 -2.526 1.00 0.00 O ATOM 560 C2' DG A 18 8.013 -0.652 -2.419 1.00 0.00 C ATOM 561 C1' DG A 18 7.366 -2.037 -2.450 1.00 0.00 C ATOM 562 N9 DG A 18 6.166 -2.145 -1.598 1.00 0.00 N ATOM 563 C8 DG A 18 6.072 -2.429 -0.266 1.00 0.00 C ATOM 564 N7 DG A 18 4.865 -2.422 0.218 1.00 0.00 N ATOM 565 C5 DG A 18 4.079 -2.107 -0.889 1.00 0.00 C ATOM 566 C6 DG A 18 2.669 -1.953 -0.995 1.00 0.00 C ATOM 567 O6 DG A 18 1.820 -2.064 -0.112 1.00 0.00 O ATOM 568 N1 DG A 18 2.287 -1.637 -2.293 1.00 0.00 N ATOM 569 C2 DG A 18 3.151 -1.486 -3.358 1.00 0.00 C ATOM 570 N2 DG A 18 2.599 -1.187 -4.532 1.00 0.00 N ATOM 571 N3 DG A 18 4.476 -1.627 -3.262 1.00 0.00 N ATOM 572 C4 DG A 18 4.868 -1.937 -2.005 1.00 0.00 C ATOM 0 H5' DG A 18 10.685 -4.094 -1.372 1.00 0.00 H new ATOM 0 H5'' DG A 18 11.580 -2.592 -1.243 1.00 0.00 H new ATOM 0 H4' DG A 18 10.067 -2.490 -3.070 1.00 0.00 H new ATOM 0 H3' DG A 18 9.468 -0.626 -0.772 1.00 0.00 H new ATOM 0 H2' DG A 18 7.436 0.044 -1.810 1.00 0.00 H new ATOM 0 H2'' DG A 18 8.081 -0.221 -3.418 1.00 0.00 H new ATOM 0 H1' DG A 18 7.046 -2.230 -3.474 1.00 0.00 H new ATOM 0 H8 DG A 18 6.938 -2.644 0.342 1.00 0.00 H new ATOM 0 H1 DG A 18 1.291 -1.507 -2.472 1.00 0.00 H new ATOM 0 H21 DG A 18 3.188 -1.063 -5.356 1.00 0.00 H new ATOM 0 H22 DG A 18 1.587 -1.082 -4.608 1.00 0.00 H new ATOM 584 P DG A 19 10.642 1.397 -2.119 1.00 0.00 P ATOM 585 OP1 DG A 19 11.903 1.834 -2.758 1.00 0.00 O ATOM 586 OP2 DG A 19 10.481 1.514 -0.652 1.00 0.00 O ATOM 587 O5' DG A 19 9.416 2.167 -2.832 1.00 0.00 O ATOM 588 C5' DG A 19 9.323 2.207 -4.260 1.00 0.00 C ATOM 589 C4' DG A 19 7.988 2.776 -4.737 1.00 0.00 C ATOM 590 O4' DG A 19 6.919 1.994 -4.233 1.00 0.00 O ATOM 591 C3' DG A 19 7.720 4.198 -4.292 1.00 0.00 C ATOM 592 O3' DG A 19 8.261 5.121 -5.242 1.00 0.00 O ATOM 593 C2' DG A 19 6.200 4.279 -4.299 1.00 0.00 C ATOM 594 C1' DG A 19 5.749 2.826 -4.153 1.00 0.00 C ATOM 595 N9 DG A 19 5.070 2.550 -2.872 1.00 0.00 N ATOM 596 C8 DG A 19 5.607 2.185 -1.671 1.00 0.00 C ATOM 597 N7 DG A 19 4.750 2.041 -0.705 1.00 0.00 N ATOM 598 C5 DG A 19 3.530 2.336 -1.312 1.00 0.00 C ATOM 599 C6 DG A 19 2.218 2.350 -0.765 1.00 0.00 C ATOM 600 O6 DG A 19 1.869 2.104 0.388 1.00 0.00 O ATOM 601 N1 DG A 19 1.272 2.696 -1.720 1.00 0.00 N ATOM 602 C2 DG A 19 1.549 2.994 -3.039 1.00 0.00 C ATOM 603 N2 DG A 19 0.508 3.299 -3.810 1.00 0.00 N ATOM 604 N3 DG A 19 2.782 2.984 -3.556 1.00 0.00 N ATOM 605 C4 DG A 19 3.719 2.646 -2.640 1.00 0.00 C ATOM 0 H5' DG A 19 9.450 1.201 -4.659 1.00 0.00 H new ATOM 0 H5'' DG A 19 10.137 2.813 -4.658 1.00 0.00 H new ATOM 0 H4' DG A 19 8.053 2.759 -5.825 1.00 0.00 H new ATOM 0 H3' DG A 19 8.165 4.440 -3.327 1.00 0.00 H new ATOM 0 H2' DG A 19 5.830 4.896 -3.480 1.00 0.00 H new ATOM 0 H2'' DG A 19 5.829 4.721 -5.224 1.00 0.00 H new ATOM 0 H1' DG A 19 5.031 2.621 -4.947 1.00 0.00 H new ATOM 0 H8 DG A 19 6.667 2.027 -1.534 1.00 0.00 H new ATOM 0 H1 DG A 19 0.297 2.733 -1.424 1.00 0.00 H new ATOM 0 H21 DG A 19 0.652 3.528 -4.794 1.00 0.00 H new ATOM 0 H22 DG A 19 -0.433 3.304 -3.417 1.00 0.00 H new ATOM 617 P DT A 20 8.716 6.589 -4.764 1.00 0.00 P ATOM 618 OP1 DT A 20 9.318 7.294 -5.918 1.00 0.00 O ATOM 619 OP2 DT A 20 9.479 6.443 -3.506 1.00 0.00 O ATOM 620 O5' DT A 20 7.311 7.293 -4.421 1.00 0.00 O ATOM 621 C5' DT A 20 6.356 7.525 -5.454 1.00 0.00 C ATOM 622 C4' DT A 20 4.984 7.905 -4.894 1.00 0.00 C ATOM 623 O4' DT A 20 4.593 6.970 -3.864 1.00 0.00 O ATOM 624 C3' DT A 20 4.932 9.282 -4.246 1.00 0.00 C ATOM 625 O3' DT A 20 4.690 10.323 -5.202 1.00 0.00 O ATOM 626 C2' DT A 20 3.765 9.114 -3.287 1.00 0.00 C ATOM 627 C1' DT A 20 4.025 7.709 -2.772 1.00 0.00 C ATOM 628 N1 DT A 20 4.983 7.667 -1.660 1.00 0.00 N ATOM 629 C2 DT A 20 4.485 7.856 -0.387 1.00 0.00 C ATOM 630 O2 DT A 20 3.286 8.009 -0.170 1.00 0.00 O ATOM 631 N3 DT A 20 5.418 7.859 0.632 1.00 0.00 N ATOM 632 C4 DT A 20 6.784 7.690 0.485 1.00 0.00 C ATOM 633 O4 DT A 20 7.527 7.719 1.463 1.00 0.00 O ATOM 634 C5 DT A 20 7.209 7.494 -0.884 1.00 0.00 C ATOM 635 C7 DT A 20 8.690 7.306 -1.192 1.00 0.00 C ATOM 636 C6 DT A 20 6.317 7.487 -1.892 1.00 0.00 C ATOM 0 H5' DT A 20 6.261 6.629 -6.067 1.00 0.00 H new ATOM 0 H5'' DT A 20 6.714 8.321 -6.106 1.00 0.00 H new ATOM 0 H4' DT A 20 4.321 7.895 -5.759 1.00 0.00 H new ATOM 0 H3' DT A 20 5.865 9.581 -3.769 1.00 0.00 H new ATOM 0 H2' DT A 20 3.775 9.856 -2.489 1.00 0.00 H new ATOM 0 H2'' DT A 20 2.801 9.199 -3.789 1.00 0.00 H new ATOM 0 HO3' DT A 20 4.663 11.189 -4.743 1.00 0.00 H new ATOM 0 H1' DT A 20 3.084 7.299 -2.405 1.00 0.00 H new ATOM 0 H3 DT A 20 5.068 7.999 1.580 1.00 0.00 H new ATOM 0 H71 DT A 20 9.286 7.845 -0.456 1.00 0.00 H new ATOM 0 H72 DT A 20 8.938 6.245 -1.153 1.00 0.00 H new ATOM 0 H73 DT A 20 8.906 7.693 -2.188 1.00 0.00 H new ATOM 0 H6 DT A 20 6.663 7.336 -2.904 1.00 0.00 H new TER 650 DT A 20 HETATM 651 C1 BER A 101 -0.578 5.608 1.016 1.00 0.00 C HETATM 652 C2 BER A 101 -1.902 5.769 0.625 1.00 0.00 C HETATM 653 N1 BER A 101 -0.291 5.430 2.313 1.00 0.00 N HETATM 654 C3 BER A 101 0.431 5.626 0.059 1.00 0.00 C HETATM 655 C4 BER A 101 -2.911 5.790 1.577 1.00 0.00 C HETATM 656 C5 BER A 101 -2.238 5.993 -0.703 1.00 0.00 C HETATM 657 C6 BER A 101 1.037 5.245 2.720 1.00 0.00 C HETATM 658 C7 BER A 101 -1.370 5.050 3.255 1.00 0.00 C HETATM 659 C8 BER A 101 1.754 5.444 0.438 1.00 0.00 C HETATM 660 C9 BER A 101 -4.207 6.045 1.143 1.00 0.00 C HETATM 661 C10 BER A 101 -2.596 5.908 2.926 1.00 0.00 C HETATM 662 C11 BER A 101 -3.496 6.250 -1.054 1.00 0.00 C HETATM 663 C12 BER A 101 2.059 5.237 1.779 1.00 0.00 C HETATM 664 C13 BER A 101 2.742 5.337 -0.533 1.00 0.00 C HETATM 665 C14 BER A 101 -4.465 6.282 -0.142 1.00 0.00 C HETATM 666 O1 BER A 101 -3.985 6.533 -2.289 1.00 0.00 O HETATM 667 C15 BER A 101 3.366 4.950 2.155 1.00 0.00 C HETATM 668 C16 BER A 101 4.050 5.050 -0.163 1.00 0.00 C HETATM 669 O2 BER A 101 -5.659 6.581 -0.720 1.00 0.00 O HETATM 670 C17 BER A 101 -5.412 6.493 -2.131 1.00 0.00 C HETATM 671 C18 BER A 101 4.355 4.869 1.180 1.00 0.00 C HETATM 672 O3 BER A 101 3.677 4.744 3.464 1.00 0.00 O HETATM 673 O4 BER A 101 5.630 4.687 1.614 1.00 0.00 O HETATM 674 C19 BER A 101 4.010 5.987 4.084 1.00 0.00 C HETATM 675 C20 BER A 101 6.507 4.581 0.490 1.00 0.00 C HETATM 0 H203 BER A 101 6.209 3.732 -0.125 1.00 0.00 H new HETATM 0 H202 BER A 101 6.452 5.495 -0.102 1.00 0.00 H new HETATM 0 H201 BER A 101 7.529 4.435 0.839 1.00 0.00 H new HETATM 0 H193 BER A 101 4.867 6.429 3.576 1.00 0.00 H new HETATM 0 H192 BER A 101 3.160 6.666 4.019 1.00 0.00 H new HETATM 0 H191 BER A 101 4.258 5.816 5.132 1.00 0.00 H new HETATM 0 H172 BER A 101 -5.886 7.319 -2.662 1.00 0.00 H new HETATM 0 H171 BER A 101 -5.824 5.571 -2.542 1.00 0.00 H new HETATM 0 H161 BER A 101 4.830 4.968 -0.920 1.00 0.00 H new HETATM 0 H131 BER A 101 2.491 5.478 -1.584 1.00 0.00 H new HETATM 0 H102 BER A 101 -2.397 6.951 3.171 1.00 0.00 H new HETATM 0 H101 BER A 101 -3.444 5.594 3.535 1.00 0.00 H new HETATM 0 H91 BER A 101 -5.024 6.051 1.865 1.00 0.00 H new HETATM 0 H72 BER A 101 -1.607 3.990 3.158 1.00 0.00 H new HETATM 0 H71 BER A 101 -1.054 5.213 4.285 1.00 0.00 H new HETATM 0 H61 BER A 101 1.268 5.107 3.776 1.00 0.00 H new HETATM 0 H51 BER A 101 -1.462 5.958 -1.468 1.00 0.00 H new HETATM 0 H31 BER A 101 0.183 5.783 -0.991 1.00 0.00 H new