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 -27:sc= 0.00178 USER MOD Single : A 4 DT C7 :methyl 150:sc= -0.271 (180deg=-0.271) 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= -0.263 (180deg=-0.263) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.557 12.966 24.330 1.00 0.00 O ATOM 2 C5' DG A 1 5.310 11.595 24.557 1.00 0.00 C ATOM 3 C4' DG A 1 3.972 11.196 23.922 1.00 0.00 C ATOM 4 O4' DG A 1 4.048 11.373 22.512 1.00 0.00 O ATOM 5 C3' DG A 1 3.625 9.728 24.196 1.00 0.00 C ATOM 6 O3' DG A 1 2.219 9.568 24.290 1.00 0.00 O ATOM 7 C2' DG A 1 4.205 9.103 22.938 1.00 0.00 C ATOM 8 C1' DG A 1 3.794 10.130 21.892 1.00 0.00 C ATOM 9 N9 DG A 1 4.553 9.977 20.623 1.00 0.00 N ATOM 10 C8 DG A 1 5.915 9.971 20.417 1.00 0.00 C ATOM 11 N7 DG A 1 6.265 9.844 19.169 1.00 0.00 N ATOM 12 C5 DG A 1 5.058 9.770 18.486 1.00 0.00 C ATOM 13 C6 DG A 1 4.805 9.659 17.085 1.00 0.00 C ATOM 14 O6 DG A 1 5.626 9.597 16.174 1.00 0.00 O ATOM 15 N1 DG A 1 3.443 9.626 16.792 1.00 0.00 N ATOM 16 C2 DG A 1 2.439 9.706 17.741 1.00 0.00 C ATOM 17 N2 DG A 1 1.176 9.651 17.305 1.00 0.00 N ATOM 18 N3 DG A 1 2.678 9.829 19.056 1.00 0.00 N ATOM 19 C4 DG A 1 4.003 9.856 19.365 1.00 0.00 C ATOM 0 H5' DG A 1 5.290 11.392 25.628 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.117 10.996 24.134 1.00 0.00 H new ATOM 0 H4' DG A 1 3.200 11.828 24.361 1.00 0.00 H new ATOM 0 H3' DG A 1 4.004 9.300 25.124 1.00 0.00 H new ATOM 0 H2' DG A 1 5.287 8.984 22.997 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.786 8.117 22.736 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.099 13.250 23.511 1.00 0.00 H new ATOM 0 H1' DG A 1 2.751 10.018 21.596 1.00 0.00 H new ATOM 0 H8 DG A 1 6.631 10.064 21.221 1.00 0.00 H new ATOM 0 H1 DG A 1 3.168 9.537 15.814 1.00 0.00 H new ATOM 0 H21 DG A 1 0.404 9.706 17.970 1.00 0.00 H new ATOM 0 H22 DG A 1 0.985 9.554 16.308 1.00 0.00 H new ATOM 32 P DC A 2 1.524 8.130 24.545 1.00 0.00 P ATOM 33 OP1 DC A 2 0.488 8.302 25.588 1.00 0.00 O ATOM 34 OP2 DC A 2 2.582 7.112 24.727 1.00 0.00 O ATOM 35 O5' DC A 2 0.786 7.843 23.136 1.00 0.00 O ATOM 36 C5' DC A 2 -0.341 8.602 22.744 1.00 0.00 C ATOM 37 C4' DC A 2 -1.103 8.051 21.541 1.00 0.00 C ATOM 38 O4' DC A 2 -0.345 8.158 20.348 1.00 0.00 O ATOM 39 C3' DC A 2 -1.456 6.583 21.783 1.00 0.00 C ATOM 40 O3' DC A 2 -2.770 6.335 21.313 1.00 0.00 O ATOM 41 C2' DC A 2 -0.355 5.913 20.996 1.00 0.00 C ATOM 42 C1' DC A 2 -0.166 6.862 19.816 1.00 0.00 C ATOM 43 N1 DC A 2 1.202 6.740 19.266 1.00 0.00 N ATOM 44 C2 DC A 2 1.412 6.521 17.903 1.00 0.00 C ATOM 45 O2 DC A 2 0.477 6.488 17.106 1.00 0.00 O ATOM 46 N3 DC A 2 2.695 6.346 17.468 1.00 0.00 N ATOM 47 C4 DC A 2 3.728 6.355 18.326 1.00 0.00 C ATOM 48 N4 DC A 2 4.969 6.221 17.849 1.00 0.00 N ATOM 49 C5 DC A 2 3.519 6.600 19.724 1.00 0.00 C ATOM 50 C6 DC A 2 2.260 6.814 20.128 1.00 0.00 C ATOM 0 H5' DC A 2 -0.015 9.617 22.515 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.026 8.670 23.589 1.00 0.00 H new ATOM 0 H4' DC A 2 -2.011 8.643 21.423 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.490 6.234 22.815 1.00 0.00 H new ATOM 0 H2' DC A 2 0.558 5.809 21.583 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.640 4.913 20.670 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.865 6.641 19.009 1.00 0.00 H new ATOM 0 H41 DC A 2 5.764 6.226 18.488 1.00 0.00 H new ATOM 0 H42 DC A 2 5.121 6.114 16.846 1.00 0.00 H new ATOM 0 H5 DC A 2 4.343 6.611 20.422 1.00 0.00 H new ATOM 0 H6 DC A 2 2.076 7.052 21.165 1.00 0.00 H new ATOM 62 P DG A 3 -3.388 4.850 21.150 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.850 4.934 21.358 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.584 3.899 21.951 1.00 0.00 O ATOM 65 O5' DG A 3 -3.112 4.572 19.583 1.00 0.00 O ATOM 66 C5' DG A 3 -3.775 5.348 18.601 1.00 0.00 C ATOM 67 C4' DG A 3 -3.566 4.843 17.184 1.00 0.00 C ATOM 68 O4' DG A 3 -2.203 4.888 16.804 1.00 0.00 O ATOM 69 C3' DG A 3 -4.096 3.411 17.102 1.00 0.00 C ATOM 70 O3' DG A 3 -5.118 3.313 16.124 1.00 0.00 O ATOM 71 C2' DG A 3 -2.819 2.653 16.793 1.00 0.00 C ATOM 72 C1' DG A 3 -1.863 3.668 16.182 1.00 0.00 C ATOM 73 N9 DG A 3 -0.445 3.373 16.484 1.00 0.00 N ATOM 74 C8 DG A 3 0.147 3.239 17.713 1.00 0.00 C ATOM 75 N7 DG A 3 1.448 3.270 17.692 1.00 0.00 N ATOM 76 C5 DG A 3 1.747 3.405 16.342 1.00 0.00 C ATOM 77 C6 DG A 3 3.007 3.550 15.694 1.00 0.00 C ATOM 78 O6 DG A 3 4.108 3.708 16.217 1.00 0.00 O ATOM 79 N1 DG A 3 2.895 3.498 14.307 1.00 0.00 N ATOM 80 C2 DG A 3 1.697 3.419 13.620 1.00 0.00 C ATOM 81 N2 DG A 3 1.750 3.390 12.285 1.00 0.00 N ATOM 82 N3 DG A 3 0.503 3.403 14.232 1.00 0.00 N ATOM 83 C4 DG A 3 0.597 3.387 15.589 1.00 0.00 C ATOM 0 H5' DG A 3 -3.424 6.378 18.666 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.843 5.360 18.820 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.107 5.490 16.493 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.591 3.022 17.991 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.397 2.215 17.698 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.010 1.832 16.101 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.956 3.670 15.096 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.420 3.118 18.624 1.00 0.00 H new ATOM 0 H1 DG A 3 3.756 3.520 13.760 1.00 0.00 H new ATOM 0 H21 DG A 3 0.889 3.332 11.742 1.00 0.00 H new ATOM 0 H22 DG A 3 2.652 3.426 11.810 1.00 0.00 H new ATOM 95 P DT A 4 -5.844 1.911 15.765 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.088 2.209 15.020 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.893 1.068 16.980 1.00 0.00 O ATOM 98 O5' DT A 4 -4.778 1.274 14.740 1.00 0.00 O ATOM 99 C5' DT A 4 -4.411 1.988 13.582 1.00 0.00 C ATOM 100 C4' DT A 4 -3.212 1.403 12.843 1.00 0.00 C ATOM 101 O4' DT A 4 -2.047 1.552 13.626 1.00 0.00 O ATOM 102 C3' DT A 4 -3.364 -0.082 12.481 1.00 0.00 C ATOM 103 O3' DT A 4 -3.400 -0.214 11.072 1.00 0.00 O ATOM 104 C2' DT A 4 -2.129 -0.692 13.144 1.00 0.00 C ATOM 105 C1' DT A 4 -1.186 0.499 13.274 1.00 0.00 C ATOM 106 N1 DT A 4 -0.179 0.257 14.330 1.00 0.00 N ATOM 107 C2 DT A 4 1.178 0.214 14.010 1.00 0.00 C ATOM 108 O2 DT A 4 1.604 0.233 12.858 1.00 0.00 O ATOM 109 N3 DT A 4 2.052 0.147 15.086 1.00 0.00 N ATOM 110 C4 DT A 4 1.691 0.070 16.426 1.00 0.00 C ATOM 111 O4 DT A 4 2.557 0.039 17.296 1.00 0.00 O ATOM 112 C5 DT A 4 0.258 0.035 16.657 1.00 0.00 C ATOM 113 C7 DT A 4 -0.295 -0.101 18.056 1.00 0.00 C ATOM 114 C6 DT A 4 -0.608 0.133 15.623 1.00 0.00 C ATOM 0 H5' DT A 4 -4.186 3.018 13.859 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.263 2.020 12.903 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.142 1.959 11.908 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.277 -0.573 12.818 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.366 -1.127 14.115 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.695 -1.486 12.536 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.618 0.701 12.366 1.00 0.00 H new ATOM 0 H3 DT A 4 3.050 0.155 14.874 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.261 0.400 18.116 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.419 -1.157 18.297 1.00 0.00 H new ATOM 0 H73 DT A 4 0.395 0.355 18.766 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.669 0.113 15.824 1.00 0.00 H new ATOM 127 P DA A 5 -3.505 -1.647 10.339 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.165 -1.450 9.029 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.047 -2.636 11.298 1.00 0.00 O ATOM 130 O5' DA A 5 -1.954 -1.988 10.081 1.00 0.00 O ATOM 131 C5' DA A 5 -1.171 -1.200 9.204 1.00 0.00 C ATOM 132 C4' DA A 5 0.239 -1.780 9.094 1.00 0.00 C ATOM 133 O4' DA A 5 0.920 -1.678 10.333 1.00 0.00 O ATOM 134 C3' DA A 5 0.228 -3.259 8.675 1.00 0.00 C ATOM 135 O3' DA A 5 0.986 -3.381 7.485 1.00 0.00 O ATOM 136 C2' DA A 5 0.823 -3.943 9.910 1.00 0.00 C ATOM 137 C1' DA A 5 1.706 -2.839 10.501 1.00 0.00 C ATOM 138 N9 DA A 5 1.986 -3.039 11.939 1.00 0.00 N ATOM 139 C8 DA A 5 1.056 -3.253 12.914 1.00 0.00 C ATOM 140 N7 DA A 5 1.496 -3.136 14.133 1.00 0.00 N ATOM 141 C5 DA A 5 2.849 -2.874 13.953 1.00 0.00 C ATOM 142 C6 DA A 5 3.901 -2.643 14.861 1.00 0.00 C ATOM 143 N6 DA A 5 3.702 -2.541 16.179 1.00 0.00 N ATOM 144 N1 DA A 5 5.148 -2.494 14.375 1.00 0.00 N ATOM 145 C2 DA A 5 5.333 -2.542 13.058 1.00 0.00 C ATOM 146 N3 DA A 5 4.421 -2.695 12.097 1.00 0.00 N ATOM 147 C4 DA A 5 3.174 -2.862 12.617 1.00 0.00 C ATOM 0 H5' DA A 5 -1.123 -0.174 9.569 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.637 -1.166 8.219 1.00 0.00 H new ATOM 0 H4' DA A 5 0.750 -1.198 8.327 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.736 -3.704 8.428 1.00 0.00 H new ATOM 0 H2' DA A 5 0.051 -4.264 10.609 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.401 -4.828 9.646 1.00 0.00 H new ATOM 0 H1' DA A 5 2.682 -2.804 10.017 1.00 0.00 H new ATOM 0 H8 DA A 5 0.029 -3.501 12.690 1.00 0.00 H new ATOM 0 H61 DA A 5 4.492 -2.373 16.803 1.00 0.00 H new ATOM 0 H62 DA A 5 2.761 -2.631 16.561 1.00 0.00 H new ATOM 0 H2 DA A 5 6.355 -2.444 12.724 1.00 0.00 H new ATOM 159 P DC A 6 1.270 -4.796 6.767 1.00 0.00 P ATOM 160 OP1 DC A 6 1.612 -4.539 5.351 1.00 0.00 O ATOM 161 OP2 DC A 6 0.180 -5.737 7.108 1.00 0.00 O ATOM 162 O5' DC A 6 2.603 -5.256 7.536 1.00 0.00 O ATOM 163 C5' DC A 6 3.770 -4.458 7.503 1.00 0.00 C ATOM 164 C4' DC A 6 4.815 -5.029 8.457 1.00 0.00 C ATOM 165 O4' DC A 6 4.334 -4.883 9.774 1.00 0.00 O ATOM 166 C3' DC A 6 5.173 -6.505 8.271 1.00 0.00 C ATOM 167 O3' DC A 6 6.378 -6.671 7.541 1.00 0.00 O ATOM 168 C2' DC A 6 5.242 -7.023 9.705 1.00 0.00 C ATOM 169 C1' DC A 6 5.058 -5.786 10.566 1.00 0.00 C ATOM 170 N1 DC A 6 4.339 -6.073 11.834 1.00 0.00 N ATOM 171 C2 DC A 6 5.011 -5.902 13.041 1.00 0.00 C ATOM 172 O2 DC A 6 6.226 -5.727 13.082 1.00 0.00 O ATOM 173 N3 DC A 6 4.289 -5.929 14.194 1.00 0.00 N ATOM 174 C4 DC A 6 2.967 -6.151 14.186 1.00 0.00 C ATOM 175 N4 DC A 6 2.312 -6.103 15.350 1.00 0.00 N ATOM 176 C5 DC A 6 2.262 -6.390 12.957 1.00 0.00 C ATOM 177 C6 DC A 6 2.993 -6.345 11.819 1.00 0.00 C ATOM 0 H5' DC A 6 3.529 -3.433 7.785 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.170 -4.424 6.489 1.00 0.00 H new ATOM 0 H4' DC A 6 5.725 -4.470 8.242 1.00 0.00 H new ATOM 0 H3' DC A 6 4.451 -7.061 7.673 1.00 0.00 H new ATOM 0 H2' DC A 6 4.463 -7.761 9.898 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.197 -7.508 9.906 1.00 0.00 H new ATOM 0 H1' DC A 6 6.025 -5.386 10.872 1.00 0.00 H new ATOM 0 H41 DC A 6 1.306 -6.268 15.376 1.00 0.00 H new ATOM 0 H42 DC A 6 2.818 -5.902 16.212 1.00 0.00 H new ATOM 0 H5 DC A 6 1.202 -6.595 12.942 1.00 0.00 H new ATOM 0 H6 DC A 6 2.505 -6.528 10.873 1.00 0.00 H new ATOM 189 P DG A 7 7.010 -8.131 7.240 1.00 0.00 P ATOM 190 OP1 DG A 7 7.965 -7.996 6.117 1.00 0.00 O ATOM 191 OP2 DG A 7 5.908 -9.115 7.154 1.00 0.00 O ATOM 192 O5' DG A 7 7.854 -8.435 8.584 1.00 0.00 O ATOM 193 C5' DG A 7 8.947 -7.616 8.949 1.00 0.00 C ATOM 194 C4' DG A 7 9.581 -8.017 10.282 1.00 0.00 C ATOM 195 O4' DG A 7 8.691 -7.762 11.358 1.00 0.00 O ATOM 196 C3' DG A 7 9.962 -9.504 10.303 1.00 0.00 C ATOM 197 O3' DG A 7 11.295 -9.658 10.758 1.00 0.00 O ATOM 198 C2' DG A 7 8.913 -10.052 11.259 1.00 0.00 C ATOM 199 C1' DG A 7 8.718 -8.884 12.215 1.00 0.00 C ATOM 200 N9 DG A 7 7.450 -8.996 12.967 1.00 0.00 N ATOM 201 C8 DG A 7 6.213 -9.332 12.484 1.00 0.00 C ATOM 202 N7 DG A 7 5.246 -9.212 13.348 1.00 0.00 N ATOM 203 C5 DG A 7 5.894 -8.809 14.510 1.00 0.00 C ATOM 204 C6 DG A 7 5.365 -8.553 15.810 1.00 0.00 C ATOM 205 O6 DG A 7 4.187 -8.535 16.154 1.00 0.00 O ATOM 206 N1 DG A 7 6.360 -8.304 16.751 1.00 0.00 N ATOM 207 C2 DG A 7 7.713 -8.275 16.466 1.00 0.00 C ATOM 208 N2 DG A 7 8.548 -8.058 17.487 1.00 0.00 N ATOM 209 N3 DG A 7 8.208 -8.458 15.232 1.00 0.00 N ATOM 210 C4 DG A 7 7.251 -8.726 14.302 1.00 0.00 C ATOM 0 H5' DG A 7 8.612 -6.580 9.010 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.704 -7.661 8.166 1.00 0.00 H new ATOM 0 H4' DG A 7 10.484 -7.417 10.396 1.00 0.00 H new ATOM 0 H3' DG A 7 9.959 -10.017 9.342 1.00 0.00 H new ATOM 0 H2' DG A 7 7.990 -10.317 10.744 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.259 -10.948 11.774 1.00 0.00 H new ATOM 0 H1' DG A 7 9.499 -8.833 12.973 1.00 0.00 H new ATOM 0 H8 DG A 7 6.053 -9.669 11.470 1.00 0.00 H new ATOM 0 H1 DG A 7 6.072 -8.132 17.714 1.00 0.00 H new ATOM 0 H21 DG A 7 9.555 -8.028 17.325 1.00 0.00 H new ATOM 0 H22 DG A 7 8.178 -7.922 18.428 1.00 0.00 H new ATOM 222 P DC A 8 11.984 -11.109 10.929 1.00 0.00 P ATOM 223 OP1 DC A 8 13.451 -10.942 10.835 1.00 0.00 O ATOM 224 OP2 DC A 8 11.292 -12.074 10.046 1.00 0.00 O ATOM 225 O5' DC A 8 11.608 -11.460 12.456 1.00 0.00 O ATOM 226 C5' DC A 8 12.243 -10.791 13.526 1.00 0.00 C ATOM 227 C4' DC A 8 11.606 -11.156 14.867 1.00 0.00 C ATOM 228 O4' DC A 8 10.251 -10.771 14.879 1.00 0.00 O ATOM 229 C3' DC A 8 11.593 -12.652 15.183 1.00 0.00 C ATOM 230 O3' DC A 8 12.802 -13.088 15.767 1.00 0.00 O ATOM 231 C2' DC A 8 10.418 -12.766 16.154 1.00 0.00 C ATOM 232 C1' DC A 8 9.634 -11.464 15.943 1.00 0.00 C ATOM 233 N1 DC A 8 8.204 -11.728 15.633 1.00 0.00 N ATOM 234 C2 DC A 8 7.246 -11.555 16.633 1.00 0.00 C ATOM 235 O2 DC A 8 7.565 -11.264 17.785 1.00 0.00 O ATOM 236 N3 DC A 8 5.933 -11.713 16.308 1.00 0.00 N ATOM 237 C4 DC A 8 5.557 -12.043 15.064 1.00 0.00 C ATOM 238 N4 DC A 8 4.251 -12.131 14.796 1.00 0.00 N ATOM 239 C5 DC A 8 6.528 -12.267 14.028 1.00 0.00 C ATOM 240 C6 DC A 8 7.828 -12.096 14.363 1.00 0.00 C ATOM 0 H5' DC A 8 12.180 -9.714 13.373 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.302 -11.049 13.542 1.00 0.00 H new ATOM 0 H4' DC A 8 12.221 -10.638 15.603 1.00 0.00 H new ATOM 0 H3' DC A 8 11.492 -13.278 14.297 1.00 0.00 H new ATOM 0 H2' DC A 8 9.805 -13.641 15.937 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.760 -12.864 17.184 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.748 -14.049 15.953 1.00 0.00 H new ATOM 0 H1' DC A 8 9.649 -10.871 16.857 1.00 0.00 H new ATOM 0 H41 DC A 8 3.939 -12.380 13.858 1.00 0.00 H new ATOM 0 H42 DC A 8 3.566 -11.949 15.530 1.00 0.00 H new ATOM 0 H5 DC A 8 6.234 -12.558 13.030 1.00 0.00 H new ATOM 0 H6 DC A 8 8.590 -12.253 13.613 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.694 -11.172 24.127 1.00 0.00 O ATOM 255 C5' DG B 1 -0.871 -11.780 25.099 1.00 0.00 C ATOM 256 C4' DG B 1 0.592 -11.352 24.929 1.00 0.00 C ATOM 257 O4' DG B 1 1.067 -11.750 23.650 1.00 0.00 O ATOM 258 C3' DG B 1 0.813 -9.841 25.086 1.00 0.00 C ATOM 259 O3' DG B 1 1.988 -9.598 25.842 1.00 0.00 O ATOM 260 C2' DG B 1 0.970 -9.451 23.625 1.00 0.00 C ATOM 261 C1' DG B 1 1.733 -10.647 23.075 1.00 0.00 C ATOM 262 N9 DG B 1 1.700 -10.693 21.590 1.00 0.00 N ATOM 263 C8 DG B 1 0.614 -10.757 20.745 1.00 0.00 C ATOM 264 N7 DG B 1 0.926 -10.819 19.481 1.00 0.00 N ATOM 265 C5 DG B 1 2.315 -10.804 19.475 1.00 0.00 C ATOM 266 C6 DG B 1 3.225 -10.885 18.378 1.00 0.00 C ATOM 267 O6 DG B 1 2.958 -10.983 17.183 1.00 0.00 O ATOM 268 N1 DG B 1 4.556 -10.845 18.788 1.00 0.00 N ATOM 269 C2 DG B 1 4.963 -10.754 20.107 1.00 0.00 C ATOM 270 N2 DG B 1 6.279 -10.716 20.342 1.00 0.00 N ATOM 271 N3 DG B 1 4.107 -10.699 21.140 1.00 0.00 N ATOM 272 C4 DG B 1 2.799 -10.728 20.760 1.00 0.00 C ATOM 0 H5' DG B 1 -0.948 -12.864 25.018 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.219 -11.509 26.096 1.00 0.00 H new ATOM 0 H4' DG B 1 1.145 -11.846 25.728 1.00 0.00 H new ATOM 0 H3' DG B 1 0.033 -9.290 25.611 1.00 0.00 H new ATOM 0 H2' DG B 1 0.008 -9.315 23.131 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.524 -8.520 23.506 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.621 -11.462 24.256 1.00 0.00 H new ATOM 0 H1' DG B 1 2.795 -10.619 23.321 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.406 -10.756 21.099 1.00 0.00 H new ATOM 0 H1 DG B 1 5.278 -10.885 18.068 1.00 0.00 H new ATOM 0 H21 DG B 1 6.624 -10.649 21.299 1.00 0.00 H new ATOM 0 H22 DG B 1 6.937 -10.754 19.564 1.00 0.00 H new ATOM 285 P DC B 2 2.525 -8.107 26.162 1.00 0.00 P ATOM 286 OP1 DC B 2 2.917 -8.059 27.588 1.00 0.00 O ATOM 287 OP2 DC B 2 1.552 -7.123 25.638 1.00 0.00 O ATOM 288 O5' DC B 2 3.865 -8.018 25.261 1.00 0.00 O ATOM 289 C5' DC B 2 5.007 -8.783 25.591 1.00 0.00 C ATOM 290 C4' DC B 2 6.281 -8.396 24.842 1.00 0.00 C ATOM 291 O4' DC B 2 6.197 -8.716 23.464 1.00 0.00 O ATOM 292 C3' DC B 2 6.532 -6.895 24.995 1.00 0.00 C ATOM 293 O3' DC B 2 7.918 -6.671 25.193 1.00 0.00 O ATOM 294 C2' DC B 2 5.984 -6.400 23.679 1.00 0.00 C ATOM 295 C1' DC B 2 6.354 -7.526 22.719 1.00 0.00 C ATOM 296 N1 DC B 2 5.434 -7.545 21.560 1.00 0.00 N ATOM 297 C2 DC B 2 5.925 -7.543 20.253 1.00 0.00 C ATOM 298 O2 DC B 2 7.130 -7.595 20.018 1.00 0.00 O ATOM 299 N3 DC B 2 5.025 -7.484 19.227 1.00 0.00 N ATOM 300 C4 DC B 2 3.705 -7.403 19.463 1.00 0.00 C ATOM 301 N4 DC B 2 2.861 -7.388 18.428 1.00 0.00 N ATOM 302 C5 DC B 2 3.196 -7.428 20.803 1.00 0.00 C ATOM 303 C6 DC B 2 4.089 -7.530 21.797 1.00 0.00 C ATOM 0 H5' DC B 2 4.792 -9.833 25.393 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.191 -8.691 26.661 1.00 0.00 H new ATOM 0 H4' DC B 2 7.105 -8.964 25.274 1.00 0.00 H new ATOM 0 H3' DC B 2 6.073 -6.390 25.844 1.00 0.00 H new ATOM 0 H2' DC B 2 4.906 -6.242 23.722 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.433 -5.452 23.384 1.00 0.00 H new ATOM 0 H1' DC B 2 7.366 -7.405 22.332 1.00 0.00 H new ATOM 0 H41 DC B 2 1.856 -7.327 18.590 1.00 0.00 H new ATOM 0 H42 DC B 2 3.222 -7.438 17.475 1.00 0.00 H new ATOM 0 H5 DC B 2 2.136 -7.367 21.003 1.00 0.00 H new ATOM 0 H6 DC B 2 3.735 -7.602 22.815 1.00 0.00 H new ATOM 315 P DG B 3 8.597 -5.207 25.126 1.00 0.00 P ATOM 316 OP1 DG B 3 9.768 -5.200 26.030 1.00 0.00 O ATOM 317 OP2 DG B 3 7.546 -4.176 25.276 1.00 0.00 O ATOM 318 O5' DG B 3 9.131 -5.185 23.601 1.00 0.00 O ATOM 319 C5' DG B 3 10.156 -6.076 23.199 1.00 0.00 C ATOM 320 C4' DG B 3 10.686 -5.803 21.802 1.00 0.00 C ATOM 321 O4' DG B 3 9.681 -5.959 20.817 1.00 0.00 O ATOM 322 C3' DG B 3 11.247 -4.382 21.772 1.00 0.00 C ATOM 323 O3' DG B 3 12.619 -4.395 21.415 1.00 0.00 O ATOM 324 C2' DG B 3 10.315 -3.730 20.769 1.00 0.00 C ATOM 325 C1' DG B 3 9.738 -4.862 19.931 1.00 0.00 C ATOM 326 N9 DG B 3 8.367 -4.579 19.454 1.00 0.00 N ATOM 327 C8 DG B 3 7.256 -4.282 20.201 1.00 0.00 C ATOM 328 N7 DG B 3 6.130 -4.367 19.553 1.00 0.00 N ATOM 329 C5 DG B 3 6.523 -4.717 18.268 1.00 0.00 C ATOM 330 C6 DG B 3 5.733 -5.008 17.118 1.00 0.00 C ATOM 331 O6 DG B 3 4.513 -5.127 17.054 1.00 0.00 O ATOM 332 N1 DG B 3 6.510 -5.164 15.973 1.00 0.00 N ATOM 333 C2 DG B 3 7.893 -5.145 15.955 1.00 0.00 C ATOM 334 N2 DG B 3 8.499 -5.322 14.777 1.00 0.00 N ATOM 335 N3 DG B 3 8.637 -4.989 17.061 1.00 0.00 N ATOM 336 C4 DG B 3 7.894 -4.770 18.179 1.00 0.00 C ATOM 0 H5' DG B 3 9.776 -7.097 23.241 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.980 -6.013 23.910 1.00 0.00 H new ATOM 0 H4' DG B 3 11.468 -6.527 21.571 1.00 0.00 H new ATOM 0 H3' DG B 3 11.262 -3.842 22.719 1.00 0.00 H new ATOM 0 H2' DG B 3 9.523 -3.177 21.275 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.853 -3.017 20.144 1.00 0.00 H new ATOM 0 H1' DG B 3 10.348 -5.026 19.043 1.00 0.00 H new ATOM 0 H8 DG B 3 7.311 -4.000 21.242 1.00 0.00 H new ATOM 0 H1 DG B 3 6.026 -5.302 15.086 1.00 0.00 H new ATOM 0 H21 DG B 3 9.517 -5.315 14.721 1.00 0.00 H new ATOM 0 H22 DG B 3 7.943 -5.464 13.934 1.00 0.00 H new ATOM 348 P DT B 4 13.486 -3.037 21.248 1.00 0.00 P ATOM 349 OP1 DT B 4 14.921 -3.397 21.258 1.00 0.00 O ATOM 350 OP2 DT B 4 12.970 -2.017 22.188 1.00 0.00 O ATOM 351 O5' DT B 4 13.081 -2.605 19.750 1.00 0.00 O ATOM 352 C5' DT B 4 13.297 -3.501 18.683 1.00 0.00 C ATOM 353 C4' DT B 4 12.636 -3.082 17.375 1.00 0.00 C ATOM 354 O4' DT B 4 11.232 -3.155 17.502 1.00 0.00 O ATOM 355 C3' DT B 4 13.005 -1.666 16.911 1.00 0.00 C ATOM 356 O3' DT B 4 13.731 -1.749 15.698 1.00 0.00 O ATOM 357 C2' DT B 4 11.630 -1.011 16.784 1.00 0.00 C ATOM 358 C1' DT B 4 10.696 -2.204 16.618 1.00 0.00 C ATOM 359 N1 DT B 4 9.313 -1.843 16.996 1.00 0.00 N ATOM 360 C2 DT B 4 8.288 -1.902 16.052 1.00 0.00 C ATOM 361 O2 DT B 4 8.478 -2.113 14.856 1.00 0.00 O ATOM 362 N3 DT B 4 7.003 -1.705 16.539 1.00 0.00 N ATOM 363 C4 DT B 4 6.667 -1.410 17.855 1.00 0.00 C ATOM 364 O4 DT B 4 5.489 -1.279 18.175 1.00 0.00 O ATOM 365 C5 DT B 4 7.805 -1.285 18.748 1.00 0.00 C ATOM 366 C7 DT B 4 7.610 -0.916 20.200 1.00 0.00 C ATOM 367 C6 DT B 4 9.060 -1.506 18.298 1.00 0.00 C ATOM 0 H5' DT B 4 12.924 -4.485 18.968 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.370 -3.602 18.519 1.00 0.00 H new ATOM 0 H4' DT B 4 13.010 -3.776 16.622 1.00 0.00 H new ATOM 0 H3' DT B 4 13.656 -1.093 17.572 1.00 0.00 H new ATOM 0 H2' DT B 4 11.380 -0.423 17.667 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.581 -0.338 15.928 1.00 0.00 H new ATOM 0 H1' DT B 4 10.635 -2.565 15.591 1.00 0.00 H new ATOM 0 H3 DT B 4 6.236 -1.784 15.871 1.00 0.00 H new ATOM 0 H71 DT B 4 8.402 -1.365 20.799 1.00 0.00 H new ATOM 0 H72 DT B 4 7.644 0.168 20.308 1.00 0.00 H new ATOM 0 H73 DT B 4 6.643 -1.285 20.542 1.00 0.00 H new ATOM 0 H6 DT B 4 9.887 -1.414 18.986 1.00 0.00 H new ATOM 380 P DA B 5 14.240 -0.443 14.902 1.00 0.00 P ATOM 381 OP1 DA B 5 15.446 -0.811 14.127 1.00 0.00 O ATOM 382 OP2 DA B 5 14.285 0.702 15.839 1.00 0.00 O ATOM 383 O5' DA B 5 13.027 -0.205 13.870 1.00 0.00 O ATOM 384 C5' DA B 5 12.739 -1.148 12.856 1.00 0.00 C ATOM 385 C4' DA B 5 11.587 -0.648 11.984 1.00 0.00 C ATOM 386 O4' DA B 5 10.385 -0.586 12.733 1.00 0.00 O ATOM 387 C3' DA B 5 11.861 0.749 11.404 1.00 0.00 C ATOM 388 O3' DA B 5 11.787 0.657 9.993 1.00 0.00 O ATOM 389 C2' DA B 5 10.767 1.590 12.069 1.00 0.00 C ATOM 390 C1' DA B 5 9.664 0.554 12.315 1.00 0.00 C ATOM 391 N9 DA B 5 8.726 0.962 13.384 1.00 0.00 N ATOM 392 C8 DA B 5 9.070 1.359 14.642 1.00 0.00 C ATOM 393 N7 DA B 5 8.086 1.415 15.492 1.00 0.00 N ATOM 394 C5 DA B 5 6.984 1.074 14.718 1.00 0.00 C ATOM 395 C6 DA B 5 5.614 0.944 15.020 1.00 0.00 C ATOM 396 N6 DA B 5 5.141 1.054 16.265 1.00 0.00 N ATOM 397 N1 DA B 5 4.758 0.671 14.017 1.00 0.00 N ATOM 398 C2 DA B 5 5.242 0.508 12.787 1.00 0.00 C ATOM 399 N3 DA B 5 6.512 0.548 12.384 1.00 0.00 N ATOM 400 C4 DA B 5 7.353 0.844 13.414 1.00 0.00 C ATOM 0 H5' DA B 5 12.477 -2.106 13.304 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.624 -1.315 12.242 1.00 0.00 H new ATOM 0 H4' DA B 5 11.492 -1.359 11.164 1.00 0.00 H new ATOM 0 H3' DA B 5 12.840 1.189 11.596 1.00 0.00 H new ATOM 0 H2' DA B 5 11.112 2.045 12.997 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.428 2.400 11.423 1.00 0.00 H new ATOM 0 H1' DA B 5 9.048 0.405 11.428 1.00 0.00 H new ATOM 0 H8 DA B 5 10.085 1.609 14.913 1.00 0.00 H new ATOM 0 H61 DA B 5 4.141 0.953 16.442 1.00 0.00 H new ATOM 0 H62 DA B 5 5.780 1.239 17.039 1.00 0.00 H new ATOM 0 H2 DA B 5 4.510 0.319 12.016 1.00 0.00 H new ATOM 412 P DC B 6 11.946 1.932 9.020 1.00 0.00 P ATOM 413 OP1 DC B 6 12.331 1.448 7.676 1.00 0.00 O ATOM 414 OP2 DC B 6 12.765 2.959 9.702 1.00 0.00 O ATOM 415 O5' DC B 6 10.426 2.447 8.958 1.00 0.00 O ATOM 416 C5' DC B 6 9.394 1.605 8.483 1.00 0.00 C ATOM 417 C4' DC B 6 8.039 2.271 8.703 1.00 0.00 C ATOM 418 O4' DC B 6 7.809 2.351 10.092 1.00 0.00 O ATOM 419 C3' DC B 6 7.876 3.684 8.138 1.00 0.00 C ATOM 420 O3' DC B 6 7.187 3.682 6.898 1.00 0.00 O ATOM 421 C2' DC B 6 7.136 4.415 9.256 1.00 0.00 C ATOM 422 C1' DC B 6 6.827 3.335 10.277 1.00 0.00 C ATOM 423 N1 DC B 6 6.846 3.845 11.672 1.00 0.00 N ATOM 424 C2 DC B 6 5.663 3.836 12.408 1.00 0.00 C ATOM 425 O2 DC B 6 4.577 3.621 11.876 1.00 0.00 O ATOM 426 N3 DC B 6 5.731 4.070 13.746 1.00 0.00 N ATOM 427 C4 DC B 6 6.895 4.342 14.351 1.00 0.00 C ATOM 428 N4 DC B 6 6.896 4.500 15.678 1.00 0.00 N ATOM 429 C5 DC B 6 8.120 4.415 13.603 1.00 0.00 C ATOM 430 C6 DC B 6 8.037 4.166 12.275 1.00 0.00 C ATOM 0 H5' DC B 6 9.427 0.647 9.002 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.540 1.399 7.423 1.00 0.00 H new ATOM 0 H4' DC B 6 7.329 1.647 8.161 1.00 0.00 H new ATOM 0 H3' DC B 6 8.819 4.171 7.890 1.00 0.00 H new ATOM 0 H2' DC B 6 7.750 5.205 9.688 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.224 4.885 8.887 1.00 0.00 H new ATOM 0 H1' DC B 6 5.819 2.947 10.129 1.00 0.00 H new ATOM 0 H41 DC B 6 7.767 4.708 16.166 1.00 0.00 H new ATOM 0 H42 DC B 6 6.026 4.413 16.203 1.00 0.00 H new ATOM 0 H5 DC B 6 9.060 4.656 14.077 1.00 0.00 H new ATOM 0 H6 DC B 6 8.932 4.221 11.673 1.00 0.00 H new ATOM 442 P DG B 7 6.838 5.049 6.102 1.00 0.00 P ATOM 443 OP1 DG B 7 6.547 4.700 4.694 1.00 0.00 O ATOM 444 OP2 DG B 7 7.880 6.055 6.411 1.00 0.00 O ATOM 445 O5' DG B 7 5.459 5.522 6.799 1.00 0.00 O ATOM 446 C5' DG B 7 4.296 4.724 6.707 1.00 0.00 C ATOM 447 C4' DG B 7 3.108 5.300 7.480 1.00 0.00 C ATOM 448 O4' DG B 7 3.350 5.255 8.879 1.00 0.00 O ATOM 449 C3' DG B 7 2.825 6.755 7.080 1.00 0.00 C ATOM 450 O3' DG B 7 1.446 6.922 6.796 1.00 0.00 O ATOM 451 C2' DG B 7 3.295 7.490 8.327 1.00 0.00 C ATOM 452 C1' DG B 7 2.953 6.494 9.426 1.00 0.00 C ATOM 453 N9 DG B 7 3.698 6.776 10.673 1.00 0.00 N ATOM 454 C8 DG B 7 5.025 7.086 10.807 1.00 0.00 C ATOM 455 N7 DG B 7 5.444 7.143 12.039 1.00 0.00 N ATOM 456 C5 DG B 7 4.296 6.899 12.786 1.00 0.00 C ATOM 457 C6 DG B 7 4.115 6.871 14.201 1.00 0.00 C ATOM 458 O6 DG B 7 4.974 6.958 15.073 1.00 0.00 O ATOM 459 N1 DG B 7 2.778 6.727 14.563 1.00 0.00 N ATOM 460 C2 DG B 7 1.736 6.597 13.665 1.00 0.00 C ATOM 461 N2 DG B 7 0.501 6.505 14.169 1.00 0.00 N ATOM 462 N3 DG B 7 1.913 6.566 12.334 1.00 0.00 N ATOM 463 C4 DG B 7 3.211 6.727 11.959 1.00 0.00 C ATOM 0 H5' DG B 7 4.517 3.726 7.084 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.020 4.614 5.658 1.00 0.00 H new ATOM 0 H4' DG B 7 2.242 4.687 7.231 1.00 0.00 H new ATOM 0 H3' DG B 7 3.318 7.112 6.176 1.00 0.00 H new ATOM 0 H2' DG B 7 4.362 7.711 8.293 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.777 8.440 8.461 1.00 0.00 H new ATOM 0 H1' DG B 7 1.900 6.528 9.704 1.00 0.00 H new ATOM 0 H8 DG B 7 5.671 7.268 9.961 1.00 0.00 H new ATOM 0 H1 DG B 7 2.553 6.717 15.558 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.299 6.408 13.544 1.00 0.00 H new ATOM 0 H22 DG B 7 0.359 6.532 15.179 1.00 0.00 H new ATOM 475 P DC B 8 0.820 8.351 6.380 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.420 8.109 5.609 1.00 0.00 O ATOM 477 OP2 DC B 8 1.893 9.194 5.807 1.00 0.00 O ATOM 478 O5' DC B 8 0.416 8.952 7.819 1.00 0.00 O ATOM 479 C5' DC B 8 -0.685 8.431 8.533 1.00 0.00 C ATOM 480 C4' DC B 8 -0.770 9.026 9.939 1.00 0.00 C ATOM 481 O4' DC B 8 0.391 8.707 10.669 1.00 0.00 O ATOM 482 C3' DC B 8 -0.854 10.552 9.983 1.00 0.00 C ATOM 483 O3' DC B 8 -2.176 11.023 9.826 1.00 0.00 O ATOM 484 C2' DC B 8 -0.298 10.866 11.371 1.00 0.00 C ATOM 485 C1' DC B 8 0.437 9.582 11.776 1.00 0.00 C ATOM 486 N1 DC B 8 1.846 9.855 12.165 1.00 0.00 N ATOM 487 C2 DC B 8 2.186 9.882 13.518 1.00 0.00 C ATOM 488 O2 DC B 8 1.336 9.761 14.397 1.00 0.00 O ATOM 489 N3 DC B 8 3.496 10.044 13.855 1.00 0.00 N ATOM 490 C4 DC B 8 4.444 10.192 12.918 1.00 0.00 C ATOM 491 N4 DC B 8 5.718 10.293 13.312 1.00 0.00 N ATOM 492 C5 DC B 8 4.112 10.209 11.520 1.00 0.00 C ATOM 493 C6 DC B 8 2.808 10.037 11.200 1.00 0.00 C ATOM 0 H5' DC B 8 -0.597 7.347 8.600 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.606 8.643 7.990 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.685 8.602 10.352 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.309 11.036 9.173 1.00 0.00 H new ATOM 0 H2' DC B 8 0.377 11.721 11.346 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.094 11.109 12.074 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.181 12.002 9.862 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.046 9.138 12.647 1.00 0.00 H new ATOM 0 H41 DC B 8 6.458 10.406 12.620 1.00 0.00 H new ATOM 0 H42 DC B 8 5.949 10.257 14.305 1.00 0.00 H new ATOM 0 H5 DC B 8 4.867 10.352 10.761 1.00 0.00 H new ATOM 0 H6 DC B 8 2.516 10.043 10.160 1.00 0.00 H new TER 506 DC B 8