USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 DG O5' : rot -28:sc= 0.00202 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.274 (180deg=-0.274) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= -0.259 (180deg=-0.259) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.531 12.937 24.378 1.00 0.00 O ATOM 2 C5' DG A 1 5.282 11.566 24.600 1.00 0.00 C ATOM 3 C4' DG A 1 3.948 11.169 23.956 1.00 0.00 C ATOM 4 O4' DG A 1 4.031 11.351 22.547 1.00 0.00 O ATOM 5 C3' DG A 1 3.598 9.700 24.224 1.00 0.00 C ATOM 6 O3' DG A 1 2.192 9.541 24.312 1.00 0.00 O ATOM 7 C2' DG A 1 4.182 9.079 22.965 1.00 0.00 C ATOM 8 C1' DG A 1 3.775 10.111 21.921 1.00 0.00 C ATOM 9 N9 DG A 1 4.537 9.961 20.655 1.00 0.00 N ATOM 10 C8 DG A 1 5.900 9.953 20.452 1.00 0.00 C ATOM 11 N7 DG A 1 6.253 9.827 19.204 1.00 0.00 N ATOM 12 C5 DG A 1 5.047 9.755 18.519 1.00 0.00 C ATOM 13 C6 DG A 1 4.798 9.645 17.117 1.00 0.00 C ATOM 14 O6 DG A 1 5.621 9.582 16.208 1.00 0.00 O ATOM 15 N1 DG A 1 3.437 9.614 16.821 1.00 0.00 N ATOM 16 C2 DG A 1 2.430 9.695 17.767 1.00 0.00 C ATOM 17 N2 DG A 1 1.169 9.642 17.328 1.00 0.00 N ATOM 18 N3 DG A 1 2.666 9.818 19.083 1.00 0.00 N ATOM 19 C4 DG A 1 3.991 9.842 19.395 1.00 0.00 C ATOM 0 H5' DG A 1 5.255 11.361 25.670 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.091 10.968 24.181 1.00 0.00 H new ATOM 0 H4' DG A 1 3.174 11.800 24.393 1.00 0.00 H new ATOM 0 H3' DG A 1 3.972 9.269 25.152 1.00 0.00 H new ATOM 0 H2' DG A 1 5.264 8.959 23.027 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.763 8.094 22.758 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.091 13.219 23.549 1.00 0.00 H new ATOM 0 H1' DG A 1 2.732 10.003 21.622 1.00 0.00 H new ATOM 0 H8 DG A 1 6.614 10.043 21.257 1.00 0.00 H new ATOM 0 H1 DG A 1 3.165 9.526 15.842 1.00 0.00 H new ATOM 0 H21 DG A 1 0.396 9.698 17.991 1.00 0.00 H new ATOM 0 H22 DG A 1 0.980 9.545 16.330 1.00 0.00 H new ATOM 32 P DC A 2 1.496 8.102 24.560 1.00 0.00 P ATOM 33 OP1 DC A 2 0.456 8.270 25.599 1.00 0.00 O ATOM 34 OP2 DC A 2 2.553 7.083 24.743 1.00 0.00 O ATOM 35 O5' DC A 2 0.765 7.820 23.146 1.00 0.00 O ATOM 36 C5' DC A 2 -0.360 8.580 22.752 1.00 0.00 C ATOM 37 C4' DC A 2 -1.117 8.033 21.544 1.00 0.00 C ATOM 38 O4' DC A 2 -0.355 8.143 20.354 1.00 0.00 O ATOM 39 C3' DC A 2 -1.471 6.563 21.781 1.00 0.00 C ATOM 40 O3' DC A 2 -2.784 6.317 21.305 1.00 0.00 O ATOM 41 C2' DC A 2 -0.368 5.896 20.996 1.00 0.00 C ATOM 42 C1' DC A 2 -0.174 6.848 19.819 1.00 0.00 C ATOM 43 N1 DC A 2 1.196 6.726 19.274 1.00 0.00 N ATOM 44 C2 DC A 2 1.410 6.510 17.911 1.00 0.00 C ATOM 45 O2 DC A 2 0.479 6.479 17.111 1.00 0.00 O ATOM 46 N3 DC A 2 2.694 6.334 17.481 1.00 0.00 N ATOM 47 C4 DC A 2 3.725 6.341 18.343 1.00 0.00 C ATOM 48 N4 DC A 2 4.967 6.206 17.870 1.00 0.00 N ATOM 49 C5 DC A 2 3.511 6.585 19.740 1.00 0.00 C ATOM 50 C6 DC A 2 2.250 6.799 20.140 1.00 0.00 C ATOM 0 H5' DC A 2 -0.033 9.595 22.528 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.049 8.645 23.594 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.024 8.626 21.424 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.508 6.211 22.812 1.00 0.00 H new ATOM 0 H2' DC A 2 0.542 5.790 21.586 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.652 4.897 20.666 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.870 6.630 19.009 1.00 0.00 H new ATOM 0 H41 DC A 2 5.760 6.209 18.511 1.00 0.00 H new ATOM 0 H42 DC A 2 5.122 6.100 16.867 1.00 0.00 H new ATOM 0 H5 DC A 2 4.333 6.596 20.441 1.00 0.00 H new ATOM 0 H6 DC A 2 2.062 7.036 21.177 1.00 0.00 H new ATOM 62 P DG A 3 -3.400 4.833 21.135 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.864 4.916 21.336 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.601 3.880 21.937 1.00 0.00 O ATOM 65 O5' DG A 3 -3.117 4.559 19.568 1.00 0.00 O ATOM 66 C5' DG A 3 -3.776 5.337 18.585 1.00 0.00 C ATOM 67 C4' DG A 3 -3.563 4.834 17.168 1.00 0.00 C ATOM 68 O4' DG A 3 -2.199 4.880 16.791 1.00 0.00 O ATOM 69 C3' DG A 3 -4.093 3.403 17.083 1.00 0.00 C ATOM 70 O3' DG A 3 -5.112 3.306 16.103 1.00 0.00 O ATOM 71 C2' DG A 3 -2.815 2.645 16.776 1.00 0.00 C ATOM 72 C1' DG A 3 -1.857 3.660 16.169 1.00 0.00 C ATOM 73 N9 DG A 3 -0.440 3.365 16.474 1.00 0.00 N ATOM 74 C8 DG A 3 0.149 3.230 17.705 1.00 0.00 C ATOM 75 N7 DG A 3 1.450 3.262 17.687 1.00 0.00 N ATOM 76 C5 DG A 3 1.752 3.398 16.338 1.00 0.00 C ATOM 77 C6 DG A 3 3.014 3.544 15.694 1.00 0.00 C ATOM 78 O6 DG A 3 4.113 3.701 16.219 1.00 0.00 O ATOM 79 N1 DG A 3 2.905 3.495 14.306 1.00 0.00 N ATOM 80 C2 DG A 3 1.709 3.417 13.616 1.00 0.00 C ATOM 81 N2 DG A 3 1.764 3.389 12.282 1.00 0.00 N ATOM 82 N3 DG A 3 0.513 3.399 14.225 1.00 0.00 N ATOM 83 C4 DG A 3 0.604 3.381 15.582 1.00 0.00 C ATOM 0 H5' DG A 3 -3.425 6.367 18.653 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.844 5.350 18.800 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.102 5.482 16.477 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.591 3.013 17.971 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.395 2.206 17.681 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.005 1.826 16.083 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.947 3.662 15.083 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.420 3.107 18.615 1.00 0.00 H new ATOM 0 H1 DG A 3 3.767 3.518 13.761 1.00 0.00 H new ATOM 0 H21 DG A 3 0.904 3.332 11.737 1.00 0.00 H new ATOM 0 H22 DG A 3 2.666 3.425 11.808 1.00 0.00 H new ATOM 95 P DT A 4 -5.838 1.905 15.740 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.079 2.205 14.992 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.890 1.061 16.954 1.00 0.00 O ATOM 98 O5' DT A 4 -4.769 1.269 14.717 1.00 0.00 O ATOM 99 C5' DT A 4 -4.399 1.984 13.560 1.00 0.00 C ATOM 100 C4' DT A 4 -3.200 1.399 12.824 1.00 0.00 C ATOM 101 O4' DT A 4 -2.036 1.548 13.608 1.00 0.00 O ATOM 102 C3' DT A 4 -3.351 -0.085 12.461 1.00 0.00 C ATOM 103 O3' DT A 4 -3.388 -0.217 11.052 1.00 0.00 O ATOM 104 C2' DT A 4 -2.116 -0.695 13.124 1.00 0.00 C ATOM 105 C1' DT A 4 -1.174 0.496 13.255 1.00 0.00 C ATOM 106 N1 DT A 4 -0.168 0.254 14.312 1.00 0.00 N ATOM 107 C2 DT A 4 1.190 0.211 13.993 1.00 0.00 C ATOM 108 O2 DT A 4 1.617 0.232 12.841 1.00 0.00 O ATOM 109 N3 DT A 4 2.063 0.143 15.070 1.00 0.00 N ATOM 110 C4 DT A 4 1.701 0.065 16.409 1.00 0.00 C ATOM 111 O4 DT A 4 2.566 0.032 17.280 1.00 0.00 O ATOM 112 C5 DT A 4 0.267 0.030 16.638 1.00 0.00 C ATOM 113 C7 DT A 4 -0.287 -0.108 18.037 1.00 0.00 C ATOM 114 C6 DT A 4 -0.597 0.129 15.604 1.00 0.00 C ATOM 0 H5' DT A 4 -4.174 3.013 13.839 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.249 2.017 12.879 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.129 1.955 11.889 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.263 -0.577 12.798 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.353 -1.131 14.095 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.682 -1.488 12.516 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.605 0.699 12.347 1.00 0.00 H new ATOM 0 H3 DT A 4 3.061 0.151 14.859 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.253 0.393 18.097 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.411 -1.164 18.277 1.00 0.00 H new ATOM 0 H73 DT A 4 0.403 0.347 18.748 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.658 0.109 15.804 1.00 0.00 H new ATOM 127 P DA A 5 -3.494 -1.649 10.319 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.154 -1.453 9.009 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.036 -2.639 11.277 1.00 0.00 O ATOM 130 O5' DA A 5 -1.943 -1.991 10.060 1.00 0.00 O ATOM 131 C5' DA A 5 -1.160 -1.202 9.184 1.00 0.00 C ATOM 132 C4' DA A 5 0.250 -1.782 9.073 1.00 0.00 C ATOM 133 O4' DA A 5 0.932 -1.679 10.312 1.00 0.00 O ATOM 134 C3' DA A 5 0.238 -3.261 8.655 1.00 0.00 C ATOM 135 O3' DA A 5 0.996 -3.384 7.465 1.00 0.00 O ATOM 136 C2' DA A 5 0.833 -3.945 9.890 1.00 0.00 C ATOM 137 C1' DA A 5 1.717 -2.841 10.479 1.00 0.00 C ATOM 138 N9 DA A 5 1.999 -3.040 11.917 1.00 0.00 N ATOM 139 C8 DA A 5 1.071 -3.253 12.893 1.00 0.00 C ATOM 140 N7 DA A 5 1.514 -3.135 14.112 1.00 0.00 N ATOM 141 C5 DA A 5 2.866 -2.873 13.929 1.00 0.00 C ATOM 142 C6 DA A 5 3.920 -2.642 14.835 1.00 0.00 C ATOM 143 N6 DA A 5 3.723 -2.538 16.153 1.00 0.00 N ATOM 144 N1 DA A 5 5.166 -2.495 14.347 1.00 0.00 N ATOM 145 C2 DA A 5 5.349 -2.544 13.029 1.00 0.00 C ATOM 146 N3 DA A 5 4.435 -2.697 12.070 1.00 0.00 N ATOM 147 C4 DA A 5 3.188 -2.863 12.593 1.00 0.00 C ATOM 0 H5' DA A 5 -1.112 -0.177 9.551 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.626 -1.167 8.199 1.00 0.00 H new ATOM 0 H4' DA A 5 0.761 -1.201 8.305 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.726 -3.705 8.409 1.00 0.00 H new ATOM 0 H2' DA A 5 0.061 -4.265 10.590 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.410 -4.831 9.626 1.00 0.00 H new ATOM 0 H1' DA A 5 2.692 -2.808 9.993 1.00 0.00 H new ATOM 0 H8 DA A 5 0.044 -3.501 12.671 1.00 0.00 H new ATOM 0 H61 DA A 5 4.514 -2.370 16.775 1.00 0.00 H new ATOM 0 H62 DA A 5 2.782 -2.626 16.536 1.00 0.00 H new ATOM 0 H2 DA A 5 6.371 -2.447 12.693 1.00 0.00 H new ATOM 159 P DC A 6 1.277 -4.799 6.746 1.00 0.00 P ATOM 160 OP1 DC A 6 1.622 -4.542 5.330 1.00 0.00 O ATOM 161 OP2 DC A 6 0.184 -5.737 7.085 1.00 0.00 O ATOM 162 O5' DC A 6 2.608 -5.263 7.516 1.00 0.00 O ATOM 163 C5' DC A 6 3.778 -4.470 7.484 1.00 0.00 C ATOM 164 C4' DC A 6 4.819 -5.043 8.441 1.00 0.00 C ATOM 165 O4' DC A 6 4.337 -4.893 9.757 1.00 0.00 O ATOM 166 C3' DC A 6 5.171 -6.522 8.258 1.00 0.00 C ATOM 167 O3' DC A 6 6.375 -6.695 7.530 1.00 0.00 O ATOM 168 C2' DC A 6 5.236 -7.036 9.694 1.00 0.00 C ATOM 169 C1' DC A 6 5.058 -5.796 10.552 1.00 0.00 C ATOM 170 N1 DC A 6 4.339 -6.077 11.820 1.00 0.00 N ATOM 171 C2 DC A 6 5.013 -5.905 13.027 1.00 0.00 C ATOM 172 O2 DC A 6 6.228 -5.734 13.066 1.00 0.00 O ATOM 173 N3 DC A 6 4.292 -5.929 14.180 1.00 0.00 N ATOM 174 C4 DC A 6 2.970 -6.149 14.175 1.00 0.00 C ATOM 175 N4 DC A 6 2.316 -6.097 15.339 1.00 0.00 N ATOM 176 C5 DC A 6 2.263 -6.388 12.947 1.00 0.00 C ATOM 177 C6 DC A 6 2.993 -6.347 11.807 1.00 0.00 C ATOM 0 H5' DC A 6 3.540 -3.444 7.763 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.180 -4.440 6.471 1.00 0.00 H new ATOM 0 H4' DC A 6 5.732 -4.487 8.226 1.00 0.00 H new ATOM 0 H3' DC A 6 4.447 -7.076 7.660 1.00 0.00 H new ATOM 0 H2' DC A 6 4.453 -7.769 9.889 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.188 -7.526 9.897 1.00 0.00 H new ATOM 0 H1' DC A 6 6.026 -5.398 10.857 1.00 0.00 H new ATOM 0 H41 DC A 6 1.310 -6.260 15.366 1.00 0.00 H new ATOM 0 H42 DC A 6 2.823 -5.894 16.200 1.00 0.00 H new ATOM 0 H5 DC A 6 1.202 -6.590 12.934 1.00 0.00 H new ATOM 0 H6 DC A 6 2.503 -6.532 10.862 1.00 0.00 H new ATOM 189 P DG A 7 7.000 -8.160 7.232 1.00 0.00 P ATOM 190 OP1 DG A 7 7.958 -8.031 6.112 1.00 0.00 O ATOM 191 OP2 DG A 7 5.893 -9.137 7.144 1.00 0.00 O ATOM 192 O5' DG A 7 7.839 -8.467 8.579 1.00 0.00 O ATOM 193 C5' DG A 7 8.937 -7.655 8.944 1.00 0.00 C ATOM 194 C4' DG A 7 9.566 -8.057 10.279 1.00 0.00 C ATOM 195 O4' DG A 7 8.676 -7.794 11.353 1.00 0.00 O ATOM 196 C3' DG A 7 9.936 -9.547 10.305 1.00 0.00 C ATOM 197 O3' DG A 7 11.269 -9.709 10.759 1.00 0.00 O ATOM 198 C2' DG A 7 8.884 -10.085 11.263 1.00 0.00 C ATOM 199 C1' DG A 7 8.698 -8.912 12.214 1.00 0.00 C ATOM 200 N9 DG A 7 7.429 -9.013 12.968 1.00 0.00 N ATOM 201 C8 DG A 7 6.190 -9.342 12.486 1.00 0.00 C ATOM 202 N7 DG A 7 5.224 -9.214 13.351 1.00 0.00 N ATOM 203 C5 DG A 7 5.876 -8.813 14.512 1.00 0.00 C ATOM 204 C6 DG A 7 5.350 -8.552 15.813 1.00 0.00 C ATOM 205 O6 DG A 7 4.173 -8.527 16.158 1.00 0.00 O ATOM 206 N1 DG A 7 6.349 -8.306 16.751 1.00 0.00 N ATOM 207 C2 DG A 7 7.701 -8.285 16.464 1.00 0.00 C ATOM 208 N2 DG A 7 8.539 -8.069 17.483 1.00 0.00 N ATOM 209 N3 DG A 7 8.193 -8.474 15.230 1.00 0.00 N ATOM 210 C4 DG A 7 7.233 -8.739 14.302 1.00 0.00 C ATOM 0 H5' DG A 7 8.610 -6.617 9.002 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.695 -7.707 8.162 1.00 0.00 H new ATOM 0 H4' DG A 7 10.473 -7.463 10.392 1.00 0.00 H new ATOM 0 H3' DG A 7 9.928 -10.064 9.345 1.00 0.00 H new ATOM 0 H2' DG A 7 7.959 -10.345 10.749 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.224 -10.982 11.782 1.00 0.00 H new ATOM 0 H1' DG A 7 9.481 -8.863 12.971 1.00 0.00 H new ATOM 0 H8 DG A 7 6.027 -9.679 11.473 1.00 0.00 H new ATOM 0 H1 DG A 7 6.064 -8.129 17.714 1.00 0.00 H new ATOM 0 H21 DG A 7 9.545 -8.045 17.319 1.00 0.00 H new ATOM 0 H22 DG A 7 8.172 -7.928 18.424 1.00 0.00 H new ATOM 222 P DC A 8 11.947 -11.164 10.934 1.00 0.00 P ATOM 223 OP1 DC A 8 13.416 -11.008 10.839 1.00 0.00 O ATOM 224 OP2 DC A 8 11.249 -12.126 10.052 1.00 0.00 O ATOM 225 O5' DC A 8 11.570 -11.510 12.461 1.00 0.00 O ATOM 226 C5' DC A 8 12.209 -10.844 13.530 1.00 0.00 C ATOM 227 C4' DC A 8 11.569 -11.200 14.872 1.00 0.00 C ATOM 228 O4' DC A 8 10.218 -10.806 14.883 1.00 0.00 O ATOM 229 C3' DC A 8 11.544 -12.696 15.191 1.00 0.00 C ATOM 230 O3' DC A 8 12.750 -13.144 15.772 1.00 0.00 O ATOM 231 C2' DC A 8 10.369 -12.799 16.162 1.00 0.00 C ATOM 232 C1' DC A 8 9.596 -11.491 15.950 1.00 0.00 C ATOM 233 N1 DC A 8 8.163 -11.743 15.642 1.00 0.00 N ATOM 234 C2 DC A 8 7.208 -11.562 16.643 1.00 0.00 C ATOM 235 O2 DC A 8 7.530 -11.272 17.794 1.00 0.00 O ATOM 236 N3 DC A 8 5.893 -11.712 16.321 1.00 0.00 N ATOM 237 C4 DC A 8 5.513 -12.041 15.077 1.00 0.00 C ATOM 238 N4 DC A 8 4.205 -12.120 14.812 1.00 0.00 N ATOM 239 C5 DC A 8 6.481 -12.273 14.040 1.00 0.00 C ATOM 240 C6 DC A 8 7.783 -12.110 14.373 1.00 0.00 C ATOM 0 H5' DC A 8 12.155 -9.767 13.374 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.266 -11.111 13.547 1.00 0.00 H new ATOM 0 H4' DC A 8 12.188 -10.684 15.606 1.00 0.00 H new ATOM 0 H3' DC A 8 11.437 -13.322 14.305 1.00 0.00 H new ATOM 0 H2' DC A 8 9.748 -13.669 15.947 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.710 -12.898 17.192 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.686 -14.104 15.959 1.00 0.00 H new ATOM 0 H1' DC A 8 9.617 -10.896 16.863 1.00 0.00 H new ATOM 0 H41 DC A 8 3.889 -12.368 13.875 1.00 0.00 H new ATOM 0 H42 DC A 8 3.523 -11.932 15.547 1.00 0.00 H new ATOM 0 H5 DC A 8 6.184 -12.563 13.043 1.00 0.00 H new ATOM 0 H6 DC A 8 8.542 -12.272 13.623 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.716 -11.077 24.154 1.00 0.00 O ATOM 255 C5' DG B 1 -0.895 -11.689 25.126 1.00 0.00 C ATOM 256 C4' DG B 1 0.570 -11.274 24.951 1.00 0.00 C ATOM 257 O4' DG B 1 1.039 -11.681 23.673 1.00 0.00 O ATOM 258 C3' DG B 1 0.805 -9.764 25.103 1.00 0.00 C ATOM 259 O3' DG B 1 1.984 -9.530 25.855 1.00 0.00 O ATOM 260 C2' DG B 1 0.962 -9.381 23.640 1.00 0.00 C ATOM 261 C1' DG B 1 1.714 -10.585 23.093 1.00 0.00 C ATOM 262 N9 DG B 1 1.678 -10.637 21.608 1.00 0.00 N ATOM 263 C8 DG B 1 0.589 -10.695 20.765 1.00 0.00 C ATOM 264 N7 DG B 1 0.898 -10.765 19.501 1.00 0.00 N ATOM 265 C5 DG B 1 2.287 -10.763 19.492 1.00 0.00 C ATOM 266 C6 DG B 1 3.194 -10.858 18.394 1.00 0.00 C ATOM 267 O6 DG B 1 2.924 -10.959 17.200 1.00 0.00 O ATOM 268 N1 DG B 1 4.526 -10.828 18.801 1.00 0.00 N ATOM 269 C2 DG B 1 4.937 -10.733 20.119 1.00 0.00 C ATOM 270 N2 DG B 1 6.253 -10.706 20.351 1.00 0.00 N ATOM 271 N3 DG B 1 4.083 -10.666 21.153 1.00 0.00 N ATOM 272 C4 DG B 1 2.775 -10.685 20.776 1.00 0.00 C ATOM 0 H5' DG B 1 -0.981 -12.773 25.049 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.238 -11.412 26.123 1.00 0.00 H new ATOM 0 H4' DG B 1 1.121 -11.770 25.750 1.00 0.00 H new ATOM 0 H3' DG B 1 0.031 -9.204 25.628 1.00 0.00 H new ATOM 0 H2' DG B 1 0.000 -9.239 23.147 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.524 -8.455 23.516 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.645 -11.359 24.286 1.00 0.00 H new ATOM 0 H1' DG B 1 2.776 -10.564 23.337 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.431 -10.683 21.121 1.00 0.00 H new ATOM 0 H1 DG B 1 5.246 -10.879 18.080 1.00 0.00 H new ATOM 0 H21 DG B 1 6.601 -10.637 21.307 1.00 0.00 H new ATOM 0 H22 DG B 1 6.909 -10.755 19.572 1.00 0.00 H new ATOM 285 P DC B 2 2.534 -8.042 26.170 1.00 0.00 P ATOM 286 OP1 DC B 2 2.930 -7.992 27.595 1.00 0.00 O ATOM 287 OP2 DC B 2 1.568 -7.051 25.645 1.00 0.00 O ATOM 288 O5' DC B 2 3.873 -7.967 25.265 1.00 0.00 O ATOM 289 C5' DC B 2 5.010 -8.740 25.595 1.00 0.00 C ATOM 290 C4' DC B 2 6.285 -8.365 24.843 1.00 0.00 C ATOM 291 O4' DC B 2 6.195 -8.690 23.466 1.00 0.00 O ATOM 292 C3' DC B 2 6.547 -6.865 24.989 1.00 0.00 C ATOM 293 O3' DC B 2 7.936 -6.651 25.183 1.00 0.00 O ATOM 294 C2' DC B 2 6.000 -6.371 23.673 1.00 0.00 C ATOM 295 C1' DC B 2 6.360 -7.504 22.716 1.00 0.00 C ATOM 296 N1 DC B 2 5.438 -7.520 21.560 1.00 0.00 N ATOM 297 C2 DC B 2 5.925 -7.530 20.251 1.00 0.00 C ATOM 298 O2 DC B 2 7.129 -7.592 20.014 1.00 0.00 O ATOM 299 N3 DC B 2 5.024 -7.469 19.227 1.00 0.00 N ATOM 300 C4 DC B 2 3.705 -7.377 19.465 1.00 0.00 C ATOM 301 N4 DC B 2 2.859 -7.361 18.431 1.00 0.00 N ATOM 302 C5 DC B 2 3.198 -7.389 20.806 1.00 0.00 C ATOM 303 C6 DC B 2 4.093 -7.493 21.799 1.00 0.00 C ATOM 0 H5' DC B 2 4.787 -9.789 25.401 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.196 -8.647 26.665 1.00 0.00 H new ATOM 0 H4' DC B 2 7.106 -8.936 25.276 1.00 0.00 H new ATOM 0 H3' DC B 2 6.093 -6.353 25.837 1.00 0.00 H new ATOM 0 H2' DC B 2 4.924 -6.205 23.718 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.456 -5.427 23.373 1.00 0.00 H new ATOM 0 H1' DC B 2 7.372 -7.392 22.326 1.00 0.00 H new ATOM 0 H41 DC B 2 1.855 -7.292 18.595 1.00 0.00 H new ATOM 0 H42 DC B 2 3.218 -7.418 17.478 1.00 0.00 H new ATOM 0 H5 DC B 2 2.139 -7.317 21.008 1.00 0.00 H new ATOM 0 H6 DC B 2 3.740 -7.557 22.818 1.00 0.00 H new ATOM 315 P DG B 3 8.625 -5.192 25.109 1.00 0.00 P ATOM 316 OP1 DG B 3 9.799 -5.191 26.010 1.00 0.00 O ATOM 317 OP2 DG B 3 7.581 -4.153 25.261 1.00 0.00 O ATOM 318 O5' DG B 3 9.154 -5.177 23.583 1.00 0.00 O ATOM 319 C5' DG B 3 10.173 -6.073 23.180 1.00 0.00 C ATOM 320 C4' DG B 3 10.701 -5.805 21.781 1.00 0.00 C ATOM 321 O4' DG B 3 9.693 -5.960 20.798 1.00 0.00 O ATOM 322 C3' DG B 3 11.267 -4.386 21.746 1.00 0.00 C ATOM 323 O3' DG B 3 12.637 -4.405 21.386 1.00 0.00 O ATOM 324 C2' DG B 3 10.335 -3.734 20.742 1.00 0.00 C ATOM 325 C1' DG B 3 9.753 -4.867 19.908 1.00 0.00 C ATOM 326 N9 DG B 3 8.382 -4.581 19.432 1.00 0.00 N ATOM 327 C8 DG B 3 7.273 -4.278 20.179 1.00 0.00 C ATOM 328 N7 DG B 3 6.146 -4.361 19.533 1.00 0.00 N ATOM 329 C5 DG B 3 6.536 -4.717 18.248 1.00 0.00 C ATOM 330 C6 DG B 3 5.745 -5.009 17.100 1.00 0.00 C ATOM 331 O6 DG B 3 4.523 -5.124 17.038 1.00 0.00 O ATOM 332 N1 DG B 3 6.519 -5.172 15.955 1.00 0.00 N ATOM 333 C2 DG B 3 7.902 -5.157 15.935 1.00 0.00 C ATOM 334 N2 DG B 3 8.507 -5.340 14.758 1.00 0.00 N ATOM 335 N3 DG B 3 8.648 -5.000 17.040 1.00 0.00 N ATOM 336 C4 DG B 3 7.907 -4.775 18.158 1.00 0.00 C ATOM 0 H5' DG B 3 9.788 -7.092 23.225 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.999 -6.013 23.889 1.00 0.00 H new ATOM 0 H4' DG B 3 11.480 -6.532 21.550 1.00 0.00 H new ATOM 0 H3' DG B 3 11.286 -3.844 22.691 1.00 0.00 H new ATOM 0 H2' DG B 3 9.546 -3.177 21.247 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.874 -3.025 20.114 1.00 0.00 H new ATOM 0 H1' DG B 3 10.362 -5.036 19.020 1.00 0.00 H new ATOM 0 H8 DG B 3 7.330 -3.993 21.219 1.00 0.00 H new ATOM 0 H1 DG B 3 6.033 -5.312 15.069 1.00 0.00 H new ATOM 0 H21 DG B 3 9.525 -5.336 14.702 1.00 0.00 H new ATOM 0 H22 DG B 3 7.950 -5.484 13.915 1.00 0.00 H new ATOM 348 P DT B 4 13.509 -3.051 21.214 1.00 0.00 P ATOM 349 OP1 DT B 4 14.943 -3.416 21.223 1.00 0.00 O ATOM 350 OP2 DT B 4 12.999 -2.027 22.153 1.00 0.00 O ATOM 351 O5' DT B 4 13.103 -2.621 19.716 1.00 0.00 O ATOM 352 C5' DT B 4 13.314 -3.520 18.651 1.00 0.00 C ATOM 353 C4' DT B 4 12.652 -3.102 17.343 1.00 0.00 C ATOM 354 O4' DT B 4 11.249 -3.170 17.473 1.00 0.00 O ATOM 355 C3' DT B 4 13.025 -1.687 16.876 1.00 0.00 C ATOM 356 O3' DT B 4 13.750 -1.775 15.663 1.00 0.00 O ATOM 357 C2' DT B 4 11.652 -1.028 16.749 1.00 0.00 C ATOM 358 C1' DT B 4 10.714 -2.219 16.587 1.00 0.00 C ATOM 359 N1 DT B 4 9.333 -1.854 16.967 1.00 0.00 N ATOM 360 C2 DT B 4 8.306 -1.913 16.024 1.00 0.00 C ATOM 361 O2 DT B 4 8.494 -2.128 14.829 1.00 0.00 O ATOM 362 N3 DT B 4 7.023 -1.712 16.513 1.00 0.00 N ATOM 363 C4 DT B 4 6.689 -1.414 17.829 1.00 0.00 C ATOM 364 O4 DT B 4 5.512 -1.280 18.151 1.00 0.00 O ATOM 365 C5 DT B 4 7.830 -1.288 18.720 1.00 0.00 C ATOM 366 C7 DT B 4 7.637 -0.913 20.170 1.00 0.00 C ATOM 367 C6 DT B 4 9.083 -1.513 18.268 1.00 0.00 C ATOM 0 H5' DT B 4 12.938 -4.502 18.939 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.386 -3.625 18.486 1.00 0.00 H new ATOM 0 H4' DT B 4 13.022 -3.799 16.591 1.00 0.00 H new ATOM 0 H3' DT B 4 13.677 -1.114 17.535 1.00 0.00 H new ATOM 0 H2' DT B 4 11.405 -0.437 17.631 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.604 -0.357 15.891 1.00 0.00 H new ATOM 0 H1' DT B 4 10.650 -2.582 15.561 1.00 0.00 H new ATOM 0 H3 DT B 4 6.255 -1.790 15.846 1.00 0.00 H new ATOM 0 H71 DT B 4 8.429 -1.361 20.770 1.00 0.00 H new ATOM 0 H72 DT B 4 7.673 0.172 20.273 1.00 0.00 H new ATOM 0 H73 DT B 4 6.670 -1.278 20.515 1.00 0.00 H new ATOM 0 H6 DT B 4 9.912 -1.421 18.954 1.00 0.00 H new ATOM 380 P DA B 5 14.266 -0.471 14.867 1.00 0.00 P ATOM 381 OP1 DA B 5 15.466 -0.848 14.087 1.00 0.00 O ATOM 382 OP2 DA B 5 14.326 0.671 15.807 1.00 0.00 O ATOM 383 O5' DA B 5 13.051 -0.220 13.842 1.00 0.00 O ATOM 384 C5' DA B 5 12.753 -1.156 12.823 1.00 0.00 C ATOM 385 C4' DA B 5 11.598 -0.645 11.962 1.00 0.00 C ATOM 386 O4' DA B 5 10.400 -0.585 12.716 1.00 0.00 O ATOM 387 C3' DA B 5 11.874 0.755 11.390 1.00 0.00 C ATOM 388 O3' DA B 5 11.801 0.671 9.978 1.00 0.00 O ATOM 389 C2' DA B 5 10.779 1.593 12.060 1.00 0.00 C ATOM 390 C1' DA B 5 9.677 0.555 12.302 1.00 0.00 C ATOM 391 N9 DA B 5 8.739 0.958 13.372 1.00 0.00 N ATOM 392 C8 DA B 5 9.082 1.352 14.632 1.00 0.00 C ATOM 393 N7 DA B 5 8.097 1.406 15.481 1.00 0.00 N ATOM 394 C5 DA B 5 6.996 1.069 14.705 1.00 0.00 C ATOM 395 C6 DA B 5 5.625 0.939 15.004 1.00 0.00 C ATOM 396 N6 DA B 5 5.150 1.048 16.249 1.00 0.00 N ATOM 397 N1 DA B 5 4.770 0.669 14.000 1.00 0.00 N ATOM 398 C2 DA B 5 5.255 0.507 12.771 1.00 0.00 C ATOM 399 N3 DA B 5 6.525 0.548 12.369 1.00 0.00 N ATOM 400 C4 DA B 5 7.365 0.841 13.400 1.00 0.00 C ATOM 0 H5' DA B 5 12.489 -2.116 13.266 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.634 -1.322 12.202 1.00 0.00 H new ATOM 0 H4' DA B 5 11.496 -1.350 11.137 1.00 0.00 H new ATOM 0 H3' DA B 5 12.853 1.193 11.584 1.00 0.00 H new ATOM 0 H2' DA B 5 11.124 2.044 12.990 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.439 2.406 11.418 1.00 0.00 H new ATOM 0 H1' DA B 5 9.061 0.408 11.415 1.00 0.00 H new ATOM 0 H8 DA B 5 10.097 1.601 14.905 1.00 0.00 H new ATOM 0 H61 DA B 5 4.150 0.947 16.424 1.00 0.00 H new ATOM 0 H62 DA B 5 5.787 1.232 17.024 1.00 0.00 H new ATOM 0 H2 DA B 5 4.524 0.318 11.999 1.00 0.00 H new ATOM 412 P DC B 6 11.960 1.952 9.013 1.00 0.00 P ATOM 413 OP1 DC B 6 12.345 1.476 7.666 1.00 0.00 O ATOM 414 OP2 DC B 6 12.779 2.975 9.701 1.00 0.00 O ATOM 415 O5' DC B 6 10.440 2.467 8.954 1.00 0.00 O ATOM 416 C5' DC B 6 9.408 1.628 8.475 1.00 0.00 C ATOM 417 C4' DC B 6 8.053 2.293 8.699 1.00 0.00 C ATOM 418 O4' DC B 6 7.824 2.366 10.088 1.00 0.00 O ATOM 419 C3' DC B 6 7.890 3.709 8.142 1.00 0.00 C ATOM 420 O3' DC B 6 7.204 3.715 6.902 1.00 0.00 O ATOM 421 C2' DC B 6 7.149 4.434 9.264 1.00 0.00 C ATOM 422 C1' DC B 6 6.841 3.348 10.279 1.00 0.00 C ATOM 423 N1 DC B 6 6.859 3.851 11.677 1.00 0.00 N ATOM 424 C2 DC B 6 5.676 3.840 12.411 1.00 0.00 C ATOM 425 O2 DC B 6 4.590 3.628 11.877 1.00 0.00 O ATOM 426 N3 DC B 6 5.741 4.069 13.750 1.00 0.00 N ATOM 427 C4 DC B 6 6.906 4.337 14.357 1.00 0.00 C ATOM 428 N4 DC B 6 6.905 4.491 15.685 1.00 0.00 N ATOM 429 C5 DC B 6 8.132 4.412 13.611 1.00 0.00 C ATOM 430 C6 DC B 6 8.050 4.168 12.282 1.00 0.00 C ATOM 0 H5' DC B 6 9.441 0.667 8.988 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.554 1.427 7.414 1.00 0.00 H new ATOM 0 H4' DC B 6 7.342 1.672 8.154 1.00 0.00 H new ATOM 0 H3' DC B 6 8.833 4.197 7.898 1.00 0.00 H new ATOM 0 H2' DC B 6 7.762 5.223 9.700 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.237 4.905 8.898 1.00 0.00 H new ATOM 0 H1' DC B 6 5.834 2.959 10.129 1.00 0.00 H new ATOM 0 H41 DC B 6 7.776 4.696 16.175 1.00 0.00 H new ATOM 0 H42 DC B 6 6.034 4.404 16.208 1.00 0.00 H new ATOM 0 H5 DC B 6 9.072 4.651 14.087 1.00 0.00 H new ATOM 0 H6 DC B 6 8.946 4.224 11.681 1.00 0.00 H new ATOM 442 P DG B 7 6.856 5.087 6.114 1.00 0.00 P ATOM 443 OP1 DG B 7 6.567 4.746 4.703 1.00 0.00 O ATOM 444 OP2 DG B 7 7.896 6.091 6.430 1.00 0.00 O ATOM 445 O5' DG B 7 5.475 5.554 6.811 1.00 0.00 O ATOM 446 C5' DG B 7 4.314 4.754 6.715 1.00 0.00 C ATOM 447 C4' DG B 7 3.124 5.326 7.489 1.00 0.00 C ATOM 448 O4' DG B 7 3.363 5.275 8.887 1.00 0.00 O ATOM 449 C3' DG B 7 2.840 6.783 7.095 1.00 0.00 C ATOM 450 O3' DG B 7 1.462 6.949 6.809 1.00 0.00 O ATOM 451 C2' DG B 7 3.308 7.512 8.346 1.00 0.00 C ATOM 452 C1' DG B 7 2.964 6.511 9.439 1.00 0.00 C ATOM 453 N9 DG B 7 3.705 6.787 10.689 1.00 0.00 N ATOM 454 C8 DG B 7 5.032 7.095 10.828 1.00 0.00 C ATOM 455 N7 DG B 7 5.448 7.146 12.062 1.00 0.00 N ATOM 456 C5 DG B 7 4.298 6.899 12.804 1.00 0.00 C ATOM 457 C6 DG B 7 4.113 6.864 14.219 1.00 0.00 C ATOM 458 O6 DG B 7 4.969 6.946 15.094 1.00 0.00 O ATOM 459 N1 DG B 7 2.775 6.720 14.577 1.00 0.00 N ATOM 460 C2 DG B 7 1.735 6.594 13.675 1.00 0.00 C ATOM 461 N2 DG B 7 0.499 6.500 14.175 1.00 0.00 N ATOM 462 N3 DG B 7 1.916 6.569 12.344 1.00 0.00 N ATOM 463 C4 DG B 7 3.215 6.731 11.974 1.00 0.00 C ATOM 0 H5' DG B 7 4.537 3.755 7.089 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.040 4.647 5.666 1.00 0.00 H new ATOM 0 H4' DG B 7 2.259 4.713 7.236 1.00 0.00 H new ATOM 0 H3' DG B 7 3.334 7.145 6.193 1.00 0.00 H new ATOM 0 H2' DG B 7 4.375 7.733 8.315 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.790 8.461 8.484 1.00 0.00 H new ATOM 0 H1' DG B 7 1.910 6.544 9.715 1.00 0.00 H new ATOM 0 H8 DG B 7 5.680 7.280 9.984 1.00 0.00 H new ATOM 0 H1 DG B 7 2.547 6.707 15.571 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.299 6.406 13.547 1.00 0.00 H new ATOM 0 H22 DG B 7 0.354 6.523 15.184 1.00 0.00 H new ATOM 475 P DC B 8 0.836 8.380 6.396 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.402 8.141 5.623 1.00 0.00 O ATOM 477 OP2 DC B 8 1.910 9.226 5.829 1.00 0.00 O ATOM 478 O5' DC B 8 0.430 8.975 7.837 1.00 0.00 O ATOM 479 C5' DC B 8 -0.673 8.452 8.547 1.00 0.00 C ATOM 480 C4' DC B 8 -0.759 9.041 9.956 1.00 0.00 C ATOM 481 O4' DC B 8 0.401 8.718 10.686 1.00 0.00 O ATOM 482 C3' DC B 8 -0.843 10.567 10.006 1.00 0.00 C ATOM 483 O3' DC B 8 -2.164 11.041 9.847 1.00 0.00 O ATOM 484 C2' DC B 8 -0.289 10.875 11.397 1.00 0.00 C ATOM 485 C1' DC B 8 0.444 9.589 11.797 1.00 0.00 C ATOM 486 N1 DC B 8 1.853 9.859 12.190 1.00 0.00 N ATOM 487 C2 DC B 8 2.189 9.879 13.545 1.00 0.00 C ATOM 488 O2 DC B 8 1.337 9.754 14.421 1.00 0.00 O ATOM 489 N3 DC B 8 3.498 10.039 13.885 1.00 0.00 N ATOM 490 C4 DC B 8 4.449 10.192 12.951 1.00 0.00 C ATOM 491 N4 DC B 8 5.721 10.291 13.349 1.00 0.00 N ATOM 492 C5 DC B 8 4.120 10.216 11.552 1.00 0.00 C ATOM 493 C6 DC B 8 2.817 10.045 11.229 1.00 0.00 C ATOM 0 H5' DC B 8 -0.587 7.367 8.609 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.593 8.668 8.004 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.675 8.615 10.367 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.296 11.054 9.198 1.00 0.00 H new ATOM 0 H2' DC B 8 0.387 11.730 11.377 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.086 11.115 12.100 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.167 12.020 9.888 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.042 9.142 12.664 1.00 0.00 H new ATOM 0 H41 DC B 8 6.463 10.408 12.659 1.00 0.00 H new ATOM 0 H42 DC B 8 5.949 10.250 14.342 1.00 0.00 H new ATOM 0 H5 DC B 8 4.876 10.363 10.795 1.00 0.00 H new ATOM 0 H6 DC B 8 2.527 10.055 10.189 1.00 0.00 H new TER 506 DC B 8