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= 0.00181 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= -0.264 (180deg=-0.264) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 5.583 12.987 24.318 1.00 0.00 O ATOM 2 C5' DG A 1 5.336 11.617 24.548 1.00 0.00 C ATOM 3 C4' DG A 1 3.998 11.217 23.913 1.00 0.00 C ATOM 4 O4' DG A 1 4.074 11.391 22.503 1.00 0.00 O ATOM 5 C3' DG A 1 3.650 9.749 24.191 1.00 0.00 C ATOM 6 O3' DG A 1 2.245 9.589 24.285 1.00 0.00 O ATOM 7 C2' DG A 1 4.231 9.121 22.934 1.00 0.00 C ATOM 8 C1' DG A 1 3.819 10.146 21.886 1.00 0.00 C ATOM 9 N9 DG A 1 4.577 9.991 20.617 1.00 0.00 N ATOM 10 C8 DG A 1 5.940 9.984 20.410 1.00 0.00 C ATOM 11 N7 DG A 1 6.289 9.854 19.162 1.00 0.00 N ATOM 12 C5 DG A 1 5.081 9.780 18.480 1.00 0.00 C ATOM 13 C6 DG A 1 4.828 9.667 17.080 1.00 0.00 C ATOM 14 O6 DG A 1 5.649 9.603 16.168 1.00 0.00 O ATOM 15 N1 DG A 1 3.466 9.633 16.788 1.00 0.00 N ATOM 16 C2 DG A 1 2.462 9.715 17.736 1.00 0.00 C ATOM 17 N2 DG A 1 1.199 9.660 17.301 1.00 0.00 N ATOM 18 N3 DG A 1 2.701 9.841 19.051 1.00 0.00 N ATOM 19 C4 DG A 1 4.027 9.868 19.360 1.00 0.00 C ATOM 0 H5' DG A 1 5.315 11.417 25.619 1.00 0.00 H new ATOM 0 H5'' DG A 1 6.143 11.017 24.127 1.00 0.00 H new ATOM 0 H4' DG A 1 3.226 11.851 24.350 1.00 0.00 H new ATOM 0 H3' DG A 1 4.028 9.323 25.121 1.00 0.00 H new ATOM 0 H2' DG A 1 5.313 9.003 22.993 1.00 0.00 H new ATOM 0 H2'' DG A 1 3.813 8.134 22.734 1.00 0.00 H new ATOM 0 HO5' DG A 1 5.125 13.269 23.499 1.00 0.00 H new ATOM 0 H1' DG A 1 2.776 10.033 21.592 1.00 0.00 H new ATOM 0 H8 DG A 1 6.656 10.078 21.213 1.00 0.00 H new ATOM 0 H1 DG A 1 3.191 9.542 15.810 1.00 0.00 H new ATOM 0 H21 DG A 1 0.428 9.717 17.966 1.00 0.00 H new ATOM 0 H22 DG A 1 1.007 9.561 16.304 1.00 0.00 H new ATOM 32 P DC A 2 1.549 8.153 24.545 1.00 0.00 P ATOM 33 OP1 DC A 2 0.517 8.327 25.590 1.00 0.00 O ATOM 34 OP2 DC A 2 2.607 7.134 24.725 1.00 0.00 O ATOM 35 O5' DC A 2 0.808 7.863 23.138 1.00 0.00 O ATOM 36 C5' DC A 2 -0.320 8.622 22.748 1.00 0.00 C ATOM 37 C4' DC A 2 -1.084 8.070 21.547 1.00 0.00 C ATOM 38 O4' DC A 2 -0.328 8.174 20.352 1.00 0.00 O ATOM 39 C3' DC A 2 -1.438 6.602 21.792 1.00 0.00 C ATOM 40 O3' DC A 2 -2.753 6.354 21.325 1.00 0.00 O ATOM 41 C2' DC A 2 -0.339 5.930 21.003 1.00 0.00 C ATOM 42 C1' DC A 2 -0.151 6.877 19.822 1.00 0.00 C ATOM 43 N1 DC A 2 1.216 6.753 19.270 1.00 0.00 N ATOM 44 C2 DC A 2 1.423 6.532 17.906 1.00 0.00 C ATOM 45 O2 DC A 2 0.488 6.499 17.111 1.00 0.00 O ATOM 46 N3 DC A 2 2.705 6.356 17.470 1.00 0.00 N ATOM 47 C4 DC A 2 3.740 6.365 18.326 1.00 0.00 C ATOM 48 N4 DC A 2 4.980 6.230 17.848 1.00 0.00 N ATOM 49 C5 DC A 2 3.534 6.613 19.724 1.00 0.00 C ATOM 50 C6 DC A 2 2.275 6.829 20.129 1.00 0.00 C ATOM 0 H5' DC A 2 0.005 9.637 22.518 1.00 0.00 H new ATOM 0 H5'' DC A 2 -1.003 8.691 23.594 1.00 0.00 H new ATOM 0 H4' DC A 2 -1.991 8.663 21.429 1.00 0.00 H new ATOM 0 H3' DC A 2 -1.470 6.255 22.825 1.00 0.00 H new ATOM 0 H2' DC A 2 0.575 5.826 21.588 1.00 0.00 H new ATOM 0 H2'' DC A 2 -0.626 4.930 20.679 1.00 0.00 H new ATOM 0 H1' DC A 2 -0.851 6.655 19.017 1.00 0.00 H new ATOM 0 H41 DC A 2 5.776 6.235 18.486 1.00 0.00 H new ATOM 0 H42 DC A 2 5.131 6.122 16.845 1.00 0.00 H new ATOM 0 H5 DC A 2 4.359 6.625 20.421 1.00 0.00 H new ATOM 0 H6 DC A 2 2.092 7.070 21.166 1.00 0.00 H new ATOM 62 P DG A 3 -3.372 4.870 21.166 1.00 0.00 P ATOM 63 OP1 DG A 3 -4.834 4.955 21.377 1.00 0.00 O ATOM 64 OP2 DG A 3 -2.567 3.920 21.965 1.00 0.00 O ATOM 65 O5' DG A 3 -3.100 4.590 19.598 1.00 0.00 O ATOM 66 C5' DG A 3 -3.765 5.364 18.617 1.00 0.00 C ATOM 67 C4' DG A 3 -3.559 4.858 17.200 1.00 0.00 C ATOM 68 O4' DG A 3 -2.196 4.902 16.818 1.00 0.00 O ATOM 69 C3' DG A 3 -4.091 3.427 17.120 1.00 0.00 C ATOM 70 O3' DG A 3 -5.114 3.329 16.144 1.00 0.00 O ATOM 71 C2' DG A 3 -2.815 2.668 16.809 1.00 0.00 C ATOM 72 C1' DG A 3 -1.859 3.681 16.196 1.00 0.00 C ATOM 73 N9 DG A 3 -0.441 3.384 16.496 1.00 0.00 N ATOM 74 C8 DG A 3 0.153 3.250 17.724 1.00 0.00 C ATOM 75 N7 DG A 3 1.454 3.280 17.702 1.00 0.00 N ATOM 76 C5 DG A 3 1.751 3.414 16.351 1.00 0.00 C ATOM 77 C6 DG A 3 3.011 3.557 15.702 1.00 0.00 C ATOM 78 O6 DG A 3 4.112 3.714 16.223 1.00 0.00 O ATOM 79 N1 DG A 3 2.897 3.505 14.315 1.00 0.00 N ATOM 80 C2 DG A 3 1.698 3.427 13.630 1.00 0.00 C ATOM 81 N2 DG A 3 1.749 3.396 12.295 1.00 0.00 N ATOM 82 N3 DG A 3 0.505 3.412 14.243 1.00 0.00 N ATOM 83 C4 DG A 3 0.600 3.397 15.600 1.00 0.00 C ATOM 0 H5' DG A 3 -3.415 6.394 18.680 1.00 0.00 H new ATOM 0 H5'' DG A 3 -4.832 5.376 18.838 1.00 0.00 H new ATOM 0 H4' DG A 3 -4.100 5.504 16.509 1.00 0.00 H new ATOM 0 H3' DG A 3 -4.586 3.039 18.010 1.00 0.00 H new ATOM 0 H2' DG A 3 -2.392 2.231 17.713 1.00 0.00 H new ATOM 0 H2'' DG A 3 -3.008 1.847 16.118 1.00 0.00 H new ATOM 0 H1' DG A 3 -1.954 3.682 15.110 1.00 0.00 H new ATOM 0 H8 DG A 3 -0.413 3.129 18.636 1.00 0.00 H new ATOM 0 H1 DG A 3 3.757 3.526 13.767 1.00 0.00 H new ATOM 0 H21 DG A 3 0.887 3.339 11.753 1.00 0.00 H new ATOM 0 H22 DG A 3 2.650 3.430 11.818 1.00 0.00 H new ATOM 95 P DT A 4 -5.843 1.928 15.787 1.00 0.00 P ATOM 96 OP1 DT A 4 -7.087 2.227 15.044 1.00 0.00 O ATOM 97 OP2 DT A 4 -5.890 1.085 17.003 1.00 0.00 O ATOM 98 O5' DT A 4 -4.779 1.288 14.761 1.00 0.00 O ATOM 99 C5' DT A 4 -4.413 2.001 13.601 1.00 0.00 C ATOM 100 C4' DT A 4 -3.215 1.414 12.862 1.00 0.00 C ATOM 101 O4' DT A 4 -2.050 1.562 13.643 1.00 0.00 O ATOM 102 C3' DT A 4 -3.369 -0.070 12.500 1.00 0.00 C ATOM 103 O3' DT A 4 -3.406 -0.203 11.091 1.00 0.00 O ATOM 104 C2' DT A 4 -2.135 -0.681 13.163 1.00 0.00 C ATOM 105 C1' DT A 4 -1.190 0.508 13.291 1.00 0.00 C ATOM 106 N1 DT A 4 -0.182 0.266 14.346 1.00 0.00 N ATOM 107 C2 DT A 4 1.174 0.222 14.024 1.00 0.00 C ATOM 108 O2 DT A 4 1.600 0.240 12.871 1.00 0.00 O ATOM 109 N3 DT A 4 2.050 0.155 15.100 1.00 0.00 N ATOM 110 C4 DT A 4 1.690 0.079 16.440 1.00 0.00 C ATOM 111 O4 DT A 4 2.557 0.047 17.309 1.00 0.00 O ATOM 112 C5 DT A 4 0.257 0.045 16.672 1.00 0.00 C ATOM 113 C7 DT A 4 -0.295 -0.089 18.072 1.00 0.00 C ATOM 114 C6 DT A 4 -0.610 0.143 15.639 1.00 0.00 C ATOM 0 H5' DT A 4 -4.187 3.031 13.877 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.265 2.032 12.922 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.145 1.970 11.927 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.282 -0.560 12.837 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.372 -1.115 14.135 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.703 -1.476 12.556 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.622 0.708 12.383 1.00 0.00 H new ATOM 0 H3 DT A 4 3.048 0.162 14.887 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.261 0.413 18.132 1.00 0.00 H new ATOM 0 H72 DT A 4 -0.419 -1.144 18.315 1.00 0.00 H new ATOM 0 H73 DT A 4 0.396 0.368 18.781 1.00 0.00 H new ATOM 0 H6 DT A 4 -1.671 0.124 15.841 1.00 0.00 H new ATOM 127 P DA A 5 -3.514 -1.635 10.359 1.00 0.00 P ATOM 128 OP1 DA A 5 -4.175 -1.439 9.049 1.00 0.00 O ATOM 129 OP2 DA A 5 -4.056 -2.624 11.318 1.00 0.00 O ATOM 130 O5' DA A 5 -1.963 -1.979 10.099 1.00 0.00 O ATOM 131 C5' DA A 5 -1.180 -1.193 9.222 1.00 0.00 C ATOM 132 C4' DA A 5 0.229 -1.774 9.110 1.00 0.00 C ATOM 133 O4' DA A 5 0.911 -1.672 10.349 1.00 0.00 O ATOM 134 C3' DA A 5 0.216 -3.253 8.691 1.00 0.00 C ATOM 135 O3' DA A 5 0.972 -3.375 7.500 1.00 0.00 O ATOM 136 C2' DA A 5 0.813 -3.937 9.925 1.00 0.00 C ATOM 137 C1' DA A 5 1.696 -2.834 10.516 1.00 0.00 C ATOM 138 N9 DA A 5 1.976 -3.035 11.954 1.00 0.00 N ATOM 139 C8 DA A 5 1.046 -3.247 12.929 1.00 0.00 C ATOM 140 N7 DA A 5 1.487 -3.132 14.148 1.00 0.00 N ATOM 141 C5 DA A 5 2.840 -2.870 13.968 1.00 0.00 C ATOM 142 C6 DA A 5 3.893 -2.639 14.875 1.00 0.00 C ATOM 143 N6 DA A 5 3.693 -2.537 16.193 1.00 0.00 N ATOM 144 N1 DA A 5 5.139 -2.491 14.389 1.00 0.00 N ATOM 145 C2 DA A 5 5.324 -2.539 13.072 1.00 0.00 C ATOM 146 N3 DA A 5 4.412 -2.692 12.111 1.00 0.00 N ATOM 147 C4 DA A 5 3.164 -2.859 12.632 1.00 0.00 C ATOM 0 H5' DA A 5 -1.130 -0.167 9.587 1.00 0.00 H new ATOM 0 H5'' DA A 5 -1.647 -1.159 8.238 1.00 0.00 H new ATOM 0 H4' DA A 5 0.741 -1.194 8.342 1.00 0.00 H new ATOM 0 H3' DA A 5 -0.749 -3.697 8.446 1.00 0.00 H new ATOM 0 H2' DA A 5 0.041 -4.259 10.625 1.00 0.00 H new ATOM 0 H2'' DA A 5 1.391 -4.822 9.659 1.00 0.00 H new ATOM 0 H1' DA A 5 2.672 -2.800 10.031 1.00 0.00 H new ATOM 0 H8 DA A 5 0.018 -3.492 12.706 1.00 0.00 H new ATOM 0 H61 DA A 5 4.482 -2.369 16.817 1.00 0.00 H new ATOM 0 H62 DA A 5 2.751 -2.627 16.574 1.00 0.00 H new ATOM 0 H2 DA A 5 6.346 -2.441 12.738 1.00 0.00 H new ATOM 159 P DC A 6 1.256 -4.790 6.782 1.00 0.00 P ATOM 160 OP1 DC A 6 1.595 -4.534 5.365 1.00 0.00 O ATOM 161 OP2 DC A 6 0.168 -5.732 7.127 1.00 0.00 O ATOM 162 O5' DC A 6 2.592 -5.247 7.548 1.00 0.00 O ATOM 163 C5' DC A 6 3.757 -4.446 7.514 1.00 0.00 C ATOM 164 C4' DC A 6 4.806 -5.016 8.465 1.00 0.00 C ATOM 165 O4' DC A 6 4.326 -4.874 9.783 1.00 0.00 O ATOM 166 C3' DC A 6 5.167 -6.491 8.274 1.00 0.00 C ATOM 167 O3' DC A 6 6.373 -6.651 7.545 1.00 0.00 O ATOM 168 C2' DC A 6 5.237 -7.013 9.707 1.00 0.00 C ATOM 169 C1' DC A 6 5.052 -5.779 10.572 1.00 0.00 C ATOM 170 N1 DC A 6 4.334 -6.069 11.839 1.00 0.00 N ATOM 171 C2 DC A 6 5.006 -5.899 13.047 1.00 0.00 C ATOM 172 O2 DC A 6 6.221 -5.725 13.088 1.00 0.00 O ATOM 173 N3 DC A 6 4.284 -5.928 14.199 1.00 0.00 N ATOM 174 C4 DC A 6 2.962 -6.151 14.192 1.00 0.00 C ATOM 175 N4 DC A 6 2.307 -6.103 15.355 1.00 0.00 N ATOM 176 C5 DC A 6 2.257 -6.389 12.962 1.00 0.00 C ATOM 177 C6 DC A 6 2.988 -6.343 11.824 1.00 0.00 C ATOM 0 H5' DC A 6 3.514 -3.422 7.798 1.00 0.00 H new ATOM 0 H5'' DC A 6 4.154 -4.409 6.500 1.00 0.00 H new ATOM 0 H4' DC A 6 5.715 -4.454 8.250 1.00 0.00 H new ATOM 0 H3' DC A 6 4.446 -7.047 7.674 1.00 0.00 H new ATOM 0 H2' DC A 6 4.459 -7.752 9.898 1.00 0.00 H new ATOM 0 H2'' DC A 6 6.193 -7.498 9.906 1.00 0.00 H new ATOM 0 H1' DC A 6 6.019 -5.380 10.879 1.00 0.00 H new ATOM 0 H41 DC A 6 1.301 -6.268 15.381 1.00 0.00 H new ATOM 0 H42 DC A 6 2.813 -5.901 16.217 1.00 0.00 H new ATOM 0 H5 DC A 6 1.197 -6.594 12.947 1.00 0.00 H new ATOM 0 H6 DC A 6 2.500 -6.527 10.878 1.00 0.00 H new ATOM 189 P DG A 7 7.010 -8.109 7.240 1.00 0.00 P ATOM 190 OP1 DG A 7 7.964 -7.968 6.118 1.00 0.00 O ATOM 191 OP2 DG A 7 5.911 -9.096 7.150 1.00 0.00 O ATOM 192 O5' DG A 7 7.854 -8.414 8.583 1.00 0.00 O ATOM 193 C5' DG A 7 8.946 -7.595 8.950 1.00 0.00 C ATOM 194 C4' DG A 7 9.580 -7.998 10.282 1.00 0.00 C ATOM 195 O4' DG A 7 8.689 -7.749 11.358 1.00 0.00 O ATOM 196 C3' DG A 7 9.964 -9.484 10.300 1.00 0.00 C ATOM 197 O3' DG A 7 11.298 -9.637 10.755 1.00 0.00 O ATOM 198 C2' DG A 7 8.916 -10.038 11.253 1.00 0.00 C ATOM 199 C1' DG A 7 8.717 -8.873 12.211 1.00 0.00 C ATOM 200 N9 DG A 7 7.447 -8.991 12.962 1.00 0.00 N ATOM 201 C8 DG A 7 6.213 -9.330 12.476 1.00 0.00 C ATOM 202 N7 DG A 7 5.243 -9.215 13.338 1.00 0.00 N ATOM 203 C5 DG A 7 5.888 -8.812 14.503 1.00 0.00 C ATOM 204 C6 DG A 7 5.356 -8.562 15.803 1.00 0.00 C ATOM 205 O6 DG A 7 4.178 -8.549 16.145 1.00 0.00 O ATOM 206 N1 DG A 7 6.349 -8.311 16.745 1.00 0.00 N ATOM 207 C2 DG A 7 7.702 -8.277 16.463 1.00 0.00 C ATOM 208 N2 DG A 7 8.535 -8.060 17.485 1.00 0.00 N ATOM 209 N3 DG A 7 8.200 -8.457 15.229 1.00 0.00 N ATOM 210 C4 DG A 7 7.245 -8.725 14.297 1.00 0.00 C ATOM 0 H5' DG A 7 8.610 -6.560 9.013 1.00 0.00 H new ATOM 0 H5'' DG A 7 9.703 -7.637 8.167 1.00 0.00 H new ATOM 0 H4' DG A 7 10.481 -7.396 10.397 1.00 0.00 H new ATOM 0 H3' DG A 7 9.962 -9.994 9.337 1.00 0.00 H new ATOM 0 H2' DG A 7 7.994 -10.304 10.736 1.00 0.00 H new ATOM 0 H2'' DG A 7 9.264 -10.934 11.766 1.00 0.00 H new ATOM 0 H1' DG A 7 9.497 -8.822 12.970 1.00 0.00 H new ATOM 0 H8 DG A 7 6.056 -9.665 11.461 1.00 0.00 H new ATOM 0 H1 DG A 7 6.059 -8.141 17.708 1.00 0.00 H new ATOM 0 H21 DG A 7 9.542 -8.027 17.324 1.00 0.00 H new ATOM 0 H22 DG A 7 8.164 -7.928 18.426 1.00 0.00 H new ATOM 222 P DC A 8 11.989 -11.087 10.922 1.00 0.00 P ATOM 223 OP1 DC A 8 13.456 -10.917 10.829 1.00 0.00 O ATOM 224 OP2 DC A 8 11.300 -12.051 10.035 1.00 0.00 O ATOM 225 O5' DC A 8 11.614 -11.443 12.447 1.00 0.00 O ATOM 226 C5' DC A 8 12.246 -10.775 13.519 1.00 0.00 C ATOM 227 C4' DC A 8 11.608 -11.143 14.859 1.00 0.00 C ATOM 228 O4' DC A 8 10.252 -10.763 14.869 1.00 0.00 O ATOM 229 C3' DC A 8 11.599 -12.640 15.173 1.00 0.00 C ATOM 230 O3' DC A 8 12.809 -13.074 15.757 1.00 0.00 O ATOM 231 C2' DC A 8 10.423 -12.759 16.141 1.00 0.00 C ATOM 232 C1' DC A 8 9.636 -11.460 15.932 1.00 0.00 C ATOM 233 N1 DC A 8 8.207 -11.728 15.619 1.00 0.00 N ATOM 234 C2 DC A 8 7.248 -11.561 16.619 1.00 0.00 C ATOM 235 O2 DC A 8 7.564 -11.272 17.771 1.00 0.00 O ATOM 236 N3 DC A 8 5.935 -11.723 16.292 1.00 0.00 N ATOM 237 C4 DC A 8 5.561 -12.051 15.047 1.00 0.00 C ATOM 238 N4 DC A 8 4.256 -12.143 14.778 1.00 0.00 N ATOM 239 C5 DC A 8 6.534 -12.269 14.011 1.00 0.00 C ATOM 240 C6 DC A 8 7.833 -12.094 14.348 1.00 0.00 C ATOM 0 H5' DC A 8 12.181 -9.698 13.367 1.00 0.00 H new ATOM 0 H5'' DC A 8 13.305 -11.032 13.536 1.00 0.00 H new ATOM 0 H4' DC A 8 12.220 -10.623 15.596 1.00 0.00 H new ATOM 0 H3' DC A 8 11.501 -13.265 14.286 1.00 0.00 H new ATOM 0 H2' DC A 8 9.813 -13.635 15.921 1.00 0.00 H new ATOM 0 H2'' DC A 8 10.763 -12.858 17.172 1.00 0.00 H new ATOM 0 HO3' DC A 8 12.757 -14.035 15.942 1.00 0.00 H new ATOM 0 H1' DC A 8 9.649 -10.869 16.848 1.00 0.00 H new ATOM 0 H41 DC A 8 3.945 -12.391 13.839 1.00 0.00 H new ATOM 0 H42 DC A 8 3.570 -11.965 15.512 1.00 0.00 H new ATOM 0 H5 DC A 8 6.242 -12.558 13.012 1.00 0.00 H new ATOM 0 H6 DC A 8 8.596 -12.246 13.599 1.00 0.00 H new TER 253 DC A 8 ATOM 254 O5' DG B 1 -1.118 -13.072 24.714 1.00 0.00 O ATOM 255 C5' DG B 1 -0.954 -11.674 24.821 1.00 0.00 C ATOM 256 C4' DG B 1 0.539 -11.329 24.873 1.00 0.00 C ATOM 257 O4' DG B 1 1.157 -11.724 23.654 1.00 0.00 O ATOM 258 C3' DG B 1 0.772 -9.824 25.056 1.00 0.00 C ATOM 259 O3' DG B 1 1.957 -9.599 25.801 1.00 0.00 O ATOM 260 C2' DG B 1 0.909 -9.422 23.597 1.00 0.00 C ATOM 261 C1' DG B 1 1.736 -10.581 23.057 1.00 0.00 C ATOM 262 N9 DG B 1 1.702 -10.655 21.573 1.00 0.00 N ATOM 263 C8 DG B 1 0.616 -10.734 20.728 1.00 0.00 C ATOM 264 N7 DG B 1 0.928 -10.815 19.465 1.00 0.00 N ATOM 265 C5 DG B 1 2.316 -10.801 19.459 1.00 0.00 C ATOM 266 C6 DG B 1 3.227 -10.898 18.364 1.00 0.00 C ATOM 267 O6 DG B 1 2.960 -11.011 17.170 1.00 0.00 O ATOM 268 N1 DG B 1 4.558 -10.856 18.774 1.00 0.00 N ATOM 269 C2 DG B 1 4.965 -10.749 20.092 1.00 0.00 C ATOM 270 N2 DG B 1 6.280 -10.712 20.327 1.00 0.00 N ATOM 271 N3 DG B 1 4.108 -10.677 21.123 1.00 0.00 N ATOM 272 C4 DG B 1 2.801 -10.708 20.743 1.00 0.00 C ATOM 0 H5' DG B 1 -1.453 -11.308 25.718 1.00 0.00 H new ATOM 0 H5'' DG B 1 -1.422 -11.178 23.971 1.00 0.00 H new ATOM 0 H4' DG B 1 0.967 -11.857 25.725 1.00 0.00 H new ATOM 0 H3' DG B 1 0.007 -9.273 25.603 1.00 0.00 H new ATOM 0 H2' DG B 1 -0.057 -9.337 23.100 1.00 0.00 H new ATOM 0 H2'' DG B 1 1.414 -8.463 23.478 1.00 0.00 H new ATOM 0 HO5' DG B 1 -2.073 -13.288 24.683 1.00 0.00 H new ATOM 0 H1' DG B 1 2.794 -10.476 23.297 1.00 0.00 H new ATOM 0 H8 DG B 1 -0.404 -10.729 21.082 1.00 0.00 H new ATOM 0 H1 DG B 1 5.280 -10.908 18.055 1.00 0.00 H new ATOM 0 H21 DG B 1 6.625 -10.634 21.284 1.00 0.00 H new ATOM 0 H22 DG B 1 6.939 -10.762 19.550 1.00 0.00 H new ATOM 285 P DC B 2 2.499 -8.114 26.142 1.00 0.00 P ATOM 286 OP1 DC B 2 2.884 -8.085 27.571 1.00 0.00 O ATOM 287 OP2 DC B 2 1.532 -7.120 25.625 1.00 0.00 O ATOM 288 O5' DC B 2 3.843 -8.019 25.249 1.00 0.00 O ATOM 289 C5' DC B 2 4.985 -8.785 25.580 1.00 0.00 C ATOM 290 C4' DC B 2 6.260 -8.396 24.836 1.00 0.00 C ATOM 291 O4' DC B 2 6.179 -8.713 23.457 1.00 0.00 O ATOM 292 C3' DC B 2 6.511 -6.895 24.994 1.00 0.00 C ATOM 293 O3' DC B 2 7.897 -6.672 25.196 1.00 0.00 O ATOM 294 C2' DC B 2 5.966 -6.396 23.678 1.00 0.00 C ATOM 295 C1' DC B 2 6.338 -7.521 22.716 1.00 0.00 C ATOM 296 N1 DC B 2 5.421 -7.537 21.555 1.00 0.00 N ATOM 297 C2 DC B 2 5.914 -7.540 20.249 1.00 0.00 C ATOM 298 O2 DC B 2 7.120 -7.594 20.017 1.00 0.00 O ATOM 299 N3 DC B 2 5.017 -7.484 19.221 1.00 0.00 N ATOM 300 C4 DC B 2 3.697 -7.401 19.453 1.00 0.00 C ATOM 301 N4 DC B 2 2.855 -7.391 18.416 1.00 0.00 N ATOM 302 C5 DC B 2 3.184 -7.418 20.793 1.00 0.00 C ATOM 303 C6 DC B 2 4.075 -7.518 21.789 1.00 0.00 C ATOM 0 H5' DC B 2 4.771 -9.835 25.379 1.00 0.00 H new ATOM 0 H5'' DC B 2 5.166 -8.696 26.651 1.00 0.00 H new ATOM 0 H4' DC B 2 7.084 -8.964 25.268 1.00 0.00 H new ATOM 0 H3' DC B 2 6.050 -6.392 25.844 1.00 0.00 H new ATOM 0 H2' DC B 2 4.888 -6.238 23.719 1.00 0.00 H new ATOM 0 H2'' DC B 2 6.417 -5.447 23.386 1.00 0.00 H new ATOM 0 H1' DC B 2 7.351 -7.399 22.332 1.00 0.00 H new ATOM 0 H41 DC B 2 1.850 -7.328 18.576 1.00 0.00 H new ATOM 0 H42 DC B 2 3.218 -7.446 17.464 1.00 0.00 H new ATOM 0 H5 DC B 2 2.124 -7.353 20.991 1.00 0.00 H new ATOM 0 H6 DC B 2 3.719 -7.586 22.806 1.00 0.00 H new ATOM 315 P DG B 3 8.577 -5.208 25.134 1.00 0.00 P ATOM 316 OP1 DG B 3 9.746 -5.204 26.042 1.00 0.00 O ATOM 317 OP2 DG B 3 7.525 -4.177 25.284 1.00 0.00 O ATOM 318 O5' DG B 3 9.116 -5.183 23.611 1.00 0.00 O ATOM 319 C5' DG B 3 10.142 -6.072 23.210 1.00 0.00 C ATOM 320 C4' DG B 3 10.673 -5.799 21.814 1.00 0.00 C ATOM 321 O4' DG B 3 9.668 -5.955 20.828 1.00 0.00 O ATOM 322 C3' DG B 3 11.234 -4.378 21.784 1.00 0.00 C ATOM 323 O3' DG B 3 12.606 -4.391 21.429 1.00 0.00 O ATOM 324 C2' DG B 3 10.304 -3.727 20.778 1.00 0.00 C ATOM 325 C1' DG B 3 9.727 -4.859 19.941 1.00 0.00 C ATOM 326 N9 DG B 3 8.357 -4.576 19.462 1.00 0.00 N ATOM 327 C8 DG B 3 7.246 -4.278 20.207 1.00 0.00 C ATOM 328 N7 DG B 3 6.121 -4.363 19.558 1.00 0.00 N ATOM 329 C5 DG B 3 6.515 -4.714 18.273 1.00 0.00 C ATOM 330 C6 DG B 3 5.727 -5.006 17.123 1.00 0.00 C ATOM 331 O6 DG B 3 4.506 -5.125 17.058 1.00 0.00 O ATOM 332 N1 DG B 3 6.504 -5.164 15.978 1.00 0.00 N ATOM 333 C2 DG B 3 7.887 -5.144 15.962 1.00 0.00 C ATOM 334 N2 DG B 3 8.495 -5.322 14.785 1.00 0.00 N ATOM 335 N3 DG B 3 8.630 -4.988 17.069 1.00 0.00 N ATOM 336 C4 DG B 3 7.886 -4.768 18.186 1.00 0.00 C ATOM 0 H5' DG B 3 9.763 -7.093 23.252 1.00 0.00 H new ATOM 0 H5'' DG B 3 10.965 -6.008 23.922 1.00 0.00 H new ATOM 0 H4' DG B 3 11.455 -6.522 21.584 1.00 0.00 H new ATOM 0 H3' DG B 3 11.247 -3.838 22.731 1.00 0.00 H new ATOM 0 H2' DG B 3 9.512 -3.172 21.282 1.00 0.00 H new ATOM 0 H2'' DG B 3 10.843 -3.016 20.152 1.00 0.00 H new ATOM 0 H1' DG B 3 10.338 -5.024 19.054 1.00 0.00 H new ATOM 0 H8 DG B 3 7.300 -3.996 21.248 1.00 0.00 H new ATOM 0 H1 DG B 3 6.020 -5.304 15.091 1.00 0.00 H new ATOM 0 H21 DG B 3 9.514 -5.314 14.731 1.00 0.00 H new ATOM 0 H22 DG B 3 7.940 -5.466 13.941 1.00 0.00 H new ATOM 348 P DT B 4 13.474 -3.034 21.261 1.00 0.00 P ATOM 349 OP1 DT B 4 14.909 -3.395 21.274 1.00 0.00 O ATOM 350 OP2 DT B 4 12.957 -2.013 22.199 1.00 0.00 O ATOM 351 O5' DT B 4 13.072 -2.604 19.761 1.00 0.00 O ATOM 352 C5' DT B 4 13.289 -3.501 18.696 1.00 0.00 C ATOM 353 C4' DT B 4 12.628 -3.084 17.387 1.00 0.00 C ATOM 354 O4' DT B 4 11.225 -3.156 17.513 1.00 0.00 O ATOM 355 C3' DT B 4 13.000 -1.669 16.921 1.00 0.00 C ATOM 356 O3' DT B 4 13.724 -1.755 15.707 1.00 0.00 O ATOM 357 C2' DT B 4 11.626 -1.012 16.796 1.00 0.00 C ATOM 358 C1' DT B 4 10.690 -2.204 16.629 1.00 0.00 C ATOM 359 N1 DT B 4 9.307 -1.841 17.007 1.00 0.00 N ATOM 360 C2 DT B 4 8.282 -1.900 16.063 1.00 0.00 C ATOM 361 O2 DT B 4 8.472 -2.113 14.867 1.00 0.00 O ATOM 362 N3 DT B 4 6.997 -1.702 16.550 1.00 0.00 N ATOM 363 C4 DT B 4 6.661 -1.406 17.865 1.00 0.00 C ATOM 364 O4 DT B 4 5.483 -1.275 18.186 1.00 0.00 O ATOM 365 C5 DT B 4 7.800 -1.281 18.758 1.00 0.00 C ATOM 366 C7 DT B 4 7.604 -0.910 20.210 1.00 0.00 C ATOM 367 C6 DT B 4 9.055 -1.503 18.308 1.00 0.00 C ATOM 0 H5' DT B 4 12.916 -4.485 18.982 1.00 0.00 H new ATOM 0 H5'' DT B 4 14.362 -3.602 18.533 1.00 0.00 H new ATOM 0 H4' DT B 4 13.000 -3.780 16.635 1.00 0.00 H new ATOM 0 H3' DT B 4 13.653 -1.097 17.580 1.00 0.00 H new ATOM 0 H2' DT B 4 11.378 -0.425 17.680 1.00 0.00 H new ATOM 0 H2'' DT B 4 11.577 -0.338 15.941 1.00 0.00 H new ATOM 0 H1' DT B 4 10.629 -2.565 15.602 1.00 0.00 H new ATOM 0 H3 DT B 4 6.230 -1.781 15.882 1.00 0.00 H new ATOM 0 H71 DT B 4 8.396 -1.359 20.810 1.00 0.00 H new ATOM 0 H72 DT B 4 7.638 0.174 20.316 1.00 0.00 H new ATOM 0 H73 DT B 4 6.637 -1.278 20.552 1.00 0.00 H new ATOM 0 H6 DT B 4 9.883 -1.411 18.996 1.00 0.00 H new ATOM 380 P DA B 5 14.233 -0.450 14.908 1.00 0.00 P ATOM 381 OP1 DA B 5 15.438 -0.820 14.134 1.00 0.00 O ATOM 382 OP2 DA B 5 14.279 0.696 15.844 1.00 0.00 O ATOM 383 O5' DA B 5 13.019 -0.213 13.877 1.00 0.00 O ATOM 384 C5' DA B 5 12.730 -1.158 12.864 1.00 0.00 C ATOM 385 C4' DA B 5 11.579 -0.658 11.991 1.00 0.00 C ATOM 386 O4' DA B 5 10.377 -0.593 12.740 1.00 0.00 O ATOM 387 C3' DA B 5 11.855 0.737 11.408 1.00 0.00 C ATOM 388 O3' DA B 5 11.780 0.642 9.997 1.00 0.00 O ATOM 389 C2' DA B 5 10.763 1.581 12.073 1.00 0.00 C ATOM 390 C1' DA B 5 9.658 0.548 12.321 1.00 0.00 C ATOM 391 N9 DA B 5 8.722 0.959 13.390 1.00 0.00 N ATOM 392 C8 DA B 5 9.068 1.357 14.648 1.00 0.00 C ATOM 393 N7 DA B 5 8.085 1.415 15.499 1.00 0.00 N ATOM 394 C5 DA B 5 6.982 1.076 14.726 1.00 0.00 C ATOM 395 C6 DA B 5 5.612 0.947 15.030 1.00 0.00 C ATOM 396 N6 DA B 5 5.140 1.059 16.275 1.00 0.00 N ATOM 397 N1 DA B 5 4.755 0.675 14.028 1.00 0.00 N ATOM 398 C2 DA B 5 5.237 0.510 12.798 1.00 0.00 C ATOM 399 N3 DA B 5 6.506 0.548 12.393 1.00 0.00 N ATOM 400 C4 DA B 5 7.349 0.843 13.422 1.00 0.00 C ATOM 0 H5' DA B 5 12.466 -2.115 13.314 1.00 0.00 H new ATOM 0 H5'' DA B 5 13.615 -1.327 12.251 1.00 0.00 H new ATOM 0 H4' DA B 5 11.483 -1.371 11.172 1.00 0.00 H new ATOM 0 H3' DA B 5 12.834 1.176 11.598 1.00 0.00 H new ATOM 0 H2' DA B 5 11.109 2.037 13.001 1.00 0.00 H new ATOM 0 H2'' DA B 5 10.425 2.391 11.427 1.00 0.00 H new ATOM 0 H1' DA B 5 9.041 0.399 11.435 1.00 0.00 H new ATOM 0 H8 DA B 5 10.084 1.606 14.918 1.00 0.00 H new ATOM 0 H61 DA B 5 4.141 0.959 16.452 1.00 0.00 H new ATOM 0 H62 DA B 5 5.779 1.245 17.048 1.00 0.00 H new ATOM 0 H2 DA B 5 4.504 0.321 12.028 1.00 0.00 H new ATOM 412 P DC B 6 11.940 1.916 9.022 1.00 0.00 P ATOM 413 OP1 DC B 6 12.322 1.429 7.678 1.00 0.00 O ATOM 414 OP2 DC B 6 12.762 2.942 9.702 1.00 0.00 O ATOM 415 O5' DC B 6 10.420 2.433 8.961 1.00 0.00 O ATOM 416 C5' DC B 6 9.387 1.592 8.488 1.00 0.00 C ATOM 417 C4' DC B 6 8.033 2.261 8.708 1.00 0.00 C ATOM 418 O4' DC B 6 7.804 2.344 10.096 1.00 0.00 O ATOM 419 C3' DC B 6 7.873 3.673 8.140 1.00 0.00 C ATOM 420 O3' DC B 6 7.183 3.671 6.901 1.00 0.00 O ATOM 421 C2' DC B 6 7.135 4.408 9.258 1.00 0.00 C ATOM 422 C1' DC B 6 6.825 3.331 10.281 1.00 0.00 C ATOM 423 N1 DC B 6 6.845 3.842 11.675 1.00 0.00 N ATOM 424 C2 DC B 6 5.664 3.836 12.412 1.00 0.00 C ATOM 425 O2 DC B 6 4.576 3.623 11.882 1.00 0.00 O ATOM 426 N3 DC B 6 5.733 4.072 13.750 1.00 0.00 N ATOM 427 C4 DC B 6 6.898 4.342 14.353 1.00 0.00 C ATOM 428 N4 DC B 6 6.901 4.502 15.680 1.00 0.00 N ATOM 429 C5 DC B 6 8.123 4.413 13.604 1.00 0.00 C ATOM 430 C6 DC B 6 8.038 4.162 12.276 1.00 0.00 C ATOM 0 H5' DC B 6 9.418 0.635 9.008 1.00 0.00 H new ATOM 0 H5'' DC B 6 9.532 1.384 7.428 1.00 0.00 H new ATOM 0 H4' DC B 6 7.321 1.637 8.168 1.00 0.00 H new ATOM 0 H3' DC B 6 8.817 4.157 7.890 1.00 0.00 H new ATOM 0 H2' DC B 6 7.751 5.198 9.688 1.00 0.00 H new ATOM 0 H2'' DC B 6 6.224 4.879 8.889 1.00 0.00 H new ATOM 0 H1' DC B 6 5.816 2.945 10.135 1.00 0.00 H new ATOM 0 H41 DC B 6 7.773 4.708 16.167 1.00 0.00 H new ATOM 0 H42 DC B 6 6.031 4.418 16.206 1.00 0.00 H new ATOM 0 H5 DC B 6 9.064 4.654 14.077 1.00 0.00 H new ATOM 0 H6 DC B 6 8.932 4.215 11.673 1.00 0.00 H new ATOM 442 P DG B 7 6.838 5.038 6.103 1.00 0.00 P ATOM 443 OP1 DG B 7 6.545 4.688 4.696 1.00 0.00 O ATOM 444 OP2 DG B 7 7.882 6.041 6.410 1.00 0.00 O ATOM 445 O5' DG B 7 5.460 5.515 6.800 1.00 0.00 O ATOM 446 C5' DG B 7 4.295 4.720 6.710 1.00 0.00 C ATOM 447 C4' DG B 7 3.109 5.301 7.483 1.00 0.00 C ATOM 448 O4' DG B 7 3.352 5.257 8.881 1.00 0.00 O ATOM 449 C3' DG B 7 2.829 6.756 7.082 1.00 0.00 C ATOM 450 O3' DG B 7 1.451 6.925 6.798 1.00 0.00 O ATOM 451 C2' DG B 7 3.302 7.491 8.327 1.00 0.00 C ATOM 452 C1' DG B 7 2.959 6.498 9.427 1.00 0.00 C ATOM 453 N9 DG B 7 3.705 6.779 10.673 1.00 0.00 N ATOM 454 C8 DG B 7 5.033 7.086 10.805 1.00 0.00 C ATOM 455 N7 DG B 7 5.453 7.144 12.037 1.00 0.00 N ATOM 456 C5 DG B 7 4.306 6.902 12.785 1.00 0.00 C ATOM 457 C6 DG B 7 4.126 6.877 14.201 1.00 0.00 C ATOM 458 O6 DG B 7 4.986 6.964 15.071 1.00 0.00 O ATOM 459 N1 DG B 7 2.790 6.735 14.565 1.00 0.00 N ATOM 460 C2 DG B 7 1.746 6.605 13.667 1.00 0.00 C ATOM 461 N2 DG B 7 0.512 6.515 14.173 1.00 0.00 N ATOM 462 N3 DG B 7 1.921 6.572 12.337 1.00 0.00 N ATOM 463 C4 DG B 7 3.219 6.731 11.960 1.00 0.00 C ATOM 0 H5' DG B 7 4.514 3.722 7.089 1.00 0.00 H new ATOM 0 H5'' DG B 7 4.018 4.609 5.662 1.00 0.00 H new ATOM 0 H4' DG B 7 2.241 4.690 7.235 1.00 0.00 H new ATOM 0 H3' DG B 7 3.322 7.111 6.177 1.00 0.00 H new ATOM 0 H2' DG B 7 4.369 7.709 8.292 1.00 0.00 H new ATOM 0 H2'' DG B 7 2.787 8.442 8.460 1.00 0.00 H new ATOM 0 H1' DG B 7 1.906 6.536 9.706 1.00 0.00 H new ATOM 0 H8 DG B 7 5.679 7.265 9.958 1.00 0.00 H new ATOM 0 H1 DG B 7 2.566 6.726 15.560 1.00 0.00 H new ATOM 0 H21 DG B 7 -0.289 6.418 13.549 1.00 0.00 H new ATOM 0 H22 DG B 7 0.372 6.543 15.183 1.00 0.00 H new ATOM 475 P DC B 8 0.828 8.355 6.379 1.00 0.00 P ATOM 476 OP1 DC B 8 -0.414 8.115 5.610 1.00 0.00 O ATOM 477 OP2 DC B 8 1.902 9.195 5.804 1.00 0.00 O ATOM 478 O5' DC B 8 0.426 8.960 7.817 1.00 0.00 O ATOM 479 C5' DC B 8 -0.675 8.442 8.534 1.00 0.00 C ATOM 480 C4' DC B 8 -0.756 9.039 9.940 1.00 0.00 C ATOM 481 O4' DC B 8 0.405 8.717 10.668 1.00 0.00 O ATOM 482 C3' DC B 8 -0.835 10.566 9.982 1.00 0.00 C ATOM 483 O3' DC B 8 -2.156 11.040 9.827 1.00 0.00 O ATOM 484 C2' DC B 8 -0.277 10.879 11.369 1.00 0.00 C ATOM 485 C1' DC B 8 0.455 9.594 11.774 1.00 0.00 C ATOM 486 N1 DC B 8 1.865 9.863 12.161 1.00 0.00 N ATOM 487 C2 DC B 8 2.207 9.890 13.515 1.00 0.00 C ATOM 488 O2 DC B 8 1.357 9.771 14.394 1.00 0.00 O ATOM 489 N3 DC B 8 3.517 10.049 13.850 1.00 0.00 N ATOM 490 C4 DC B 8 4.465 10.195 12.912 1.00 0.00 C ATOM 491 N4 DC B 8 5.738 10.295 13.304 1.00 0.00 N ATOM 492 C5 DC B 8 4.131 10.213 11.514 1.00 0.00 C ATOM 493 C6 DC B 8 2.827 10.042 11.195 1.00 0.00 C ATOM 0 H5' DC B 8 -0.589 7.358 8.602 1.00 0.00 H new ATOM 0 H5'' DC B 8 -1.597 8.656 7.993 1.00 0.00 H new ATOM 0 H4' DC B 8 -1.672 8.619 10.355 1.00 0.00 H new ATOM 0 H3' DC B 8 -0.289 11.048 9.171 1.00 0.00 H new ATOM 0 H2' DC B 8 0.400 11.733 11.343 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.072 11.124 12.073 1.00 0.00 H new ATOM 0 HO3' DC B 8 -2.158 12.019 9.862 1.00 0.00 H new ATOM 0 H1' DC B 8 -0.028 9.153 12.646 1.00 0.00 H new ATOM 0 H41 DC B 8 6.478 10.407 12.611 1.00 0.00 H new ATOM 0 H42 DC B 8 5.970 10.260 14.297 1.00 0.00 H new ATOM 0 H5 DC B 8 4.885 10.356 10.754 1.00 0.00 H new ATOM 0 H6 DC B 8 2.535 10.046 10.155 1.00 0.00 H new TER 506 DC B 8