USER MOD reduce.3.24.130724 H: found=0, std=0, add=171, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 205 hydrogens (34 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 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl -30:sc= -0.611 (180deg=-1.82) USER MOD Single : A 7 DT C7 :methyl -30:sc=-0.00875 (180deg=-0.279) USER MOD Single : A 8 DG O3' : rot 180:sc= 0 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.236 USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 34.634 3.137 -13.284 1.00 0.00 O ATOM 2 C5' DG A 1 33.541 3.587 -14.090 1.00 0.00 C ATOM 3 C4' DG A 1 32.363 2.612 -14.040 1.00 0.00 C ATOM 4 O4' DG A 1 32.736 1.361 -14.641 1.00 0.00 O ATOM 5 C3' DG A 1 31.860 2.305 -12.626 1.00 0.00 C ATOM 6 O3' DG A 1 30.425 2.211 -12.641 1.00 0.00 O ATOM 7 C2' DG A 1 32.479 0.950 -12.322 1.00 0.00 C ATOM 8 C1' DG A 1 32.537 0.306 -13.694 1.00 0.00 C ATOM 9 N9 DG A 1 33.629 -0.671 -13.859 1.00 0.00 N ATOM 10 C8 DG A 1 34.970 -0.518 -13.618 1.00 0.00 C ATOM 11 N7 DG A 1 35.675 -1.590 -13.856 1.00 0.00 N ATOM 12 C5 DG A 1 34.733 -2.521 -14.285 1.00 0.00 C ATOM 13 C6 DG A 1 34.902 -3.875 -14.688 1.00 0.00 C ATOM 14 O6 DG A 1 35.938 -4.534 -14.740 1.00 0.00 O ATOM 15 N1 DG A 1 33.694 -4.453 -15.046 1.00 0.00 N ATOM 16 C2 DG A 1 32.474 -3.813 -15.019 1.00 0.00 C ATOM 17 N2 DG A 1 31.421 -4.526 -15.396 1.00 0.00 N ATOM 18 N3 DG A 1 32.313 -2.547 -14.642 1.00 0.00 N ATOM 19 C4 DG A 1 33.480 -1.965 -14.290 1.00 0.00 C ATOM 0 H5' DG A 1 33.873 3.704 -15.122 1.00 0.00 H new ATOM 0 H5'' DG A 1 33.216 4.569 -13.747 1.00 0.00 H new ATOM 0 H4' DG A 1 31.559 3.110 -14.582 1.00 0.00 H new ATOM 0 H3' DG A 1 32.123 3.064 -11.890 1.00 0.00 H new ATOM 0 H2' DG A 1 33.469 1.046 -11.876 1.00 0.00 H new ATOM 0 H2'' DG A 1 31.871 0.372 -11.627 1.00 0.00 H new ATOM 0 HO5' DG A 1 35.369 3.782 -13.340 1.00 0.00 H new ATOM 0 H1' DG A 1 31.608 -0.245 -13.839 1.00 0.00 H new ATOM 0 H8 DG A 1 35.403 0.406 -13.264 1.00 0.00 H new ATOM 0 H1 DG A 1 33.709 -5.426 -15.353 1.00 0.00 H new ATOM 0 H21 DG A 1 30.493 -4.104 -15.396 1.00 0.00 H new ATOM 0 H22 DG A 1 31.540 -5.497 -15.686 1.00 0.00 H new ATOM 32 P DT A 2 29.597 1.647 -11.373 1.00 0.00 P ATOM 33 OP1 DT A 2 28.335 2.412 -11.267 1.00 0.00 O ATOM 34 OP2 DT A 2 30.508 1.567 -10.208 1.00 0.00 O ATOM 35 O5' DT A 2 29.234 0.144 -11.835 1.00 0.00 O ATOM 36 C5' DT A 2 28.372 -0.078 -12.959 1.00 0.00 C ATOM 37 C4' DT A 2 27.832 -1.508 -13.002 1.00 0.00 C ATOM 38 O4' DT A 2 28.897 -2.428 -13.288 1.00 0.00 O ATOM 39 C3' DT A 2 27.172 -1.966 -11.700 1.00 0.00 C ATOM 40 O3' DT A 2 26.014 -2.759 -12.003 1.00 0.00 O ATOM 41 C2' DT A 2 28.242 -2.825 -11.045 1.00 0.00 C ATOM 42 C1' DT A 2 28.978 -3.402 -12.244 1.00 0.00 C ATOM 43 N1 DT A 2 30.407 -3.694 -12.007 1.00 0.00 N ATOM 44 C2 DT A 2 30.875 -4.938 -12.393 1.00 0.00 C ATOM 45 O2 DT A 2 30.140 -5.784 -12.898 1.00 0.00 O ATOM 46 N3 DT A 2 32.218 -5.181 -12.165 1.00 0.00 N ATOM 47 C4 DT A 2 33.115 -4.299 -11.585 1.00 0.00 C ATOM 48 O4 DT A 2 34.290 -4.615 -11.420 1.00 0.00 O ATOM 49 C5 DT A 2 32.536 -3.028 -11.213 1.00 0.00 C ATOM 50 C7 DT A 2 33.417 -1.972 -10.550 1.00 0.00 C ATOM 51 C6 DT A 2 31.233 -2.767 -11.431 1.00 0.00 C ATOM 0 H5' DT A 2 28.918 0.130 -13.879 1.00 0.00 H new ATOM 0 H5'' DT A 2 27.538 0.622 -12.918 1.00 0.00 H new ATOM 0 H4' DT A 2 27.071 -1.502 -13.782 1.00 0.00 H new ATOM 0 H3' DT A 2 26.842 -1.144 -11.065 1.00 0.00 H new ATOM 0 H2' DT A 2 28.902 -2.236 -10.408 1.00 0.00 H new ATOM 0 H2'' DT A 2 27.809 -3.606 -10.420 1.00 0.00 H new ATOM 0 H1' DT A 2 28.507 -4.355 -12.486 1.00 0.00 H new ATOM 0 H3 DT A 2 32.580 -6.091 -12.450 1.00 0.00 H new ATOM 0 H71 DT A 2 34.203 -2.462 -9.976 1.00 0.00 H new ATOM 0 H72 DT A 2 33.867 -1.340 -11.316 1.00 0.00 H new ATOM 0 H73 DT A 2 32.811 -1.358 -9.884 1.00 0.00 H new ATOM 0 H6 DT A 2 30.831 -1.806 -11.145 1.00 0.00 H new ATOM 64 P DC A 3 25.134 -3.430 -10.830 1.00 0.00 P ATOM 65 OP1 DC A 3 23.712 -3.392 -11.238 1.00 0.00 O ATOM 66 OP2 DC A 3 25.544 -2.833 -9.536 1.00 0.00 O ATOM 67 O5' DC A 3 25.624 -4.967 -10.855 1.00 0.00 O ATOM 68 C5' DC A 3 25.216 -5.841 -11.914 1.00 0.00 C ATOM 69 C4' DC A 3 25.527 -7.303 -11.600 1.00 0.00 C ATOM 70 O4' DC A 3 26.945 -7.517 -11.633 1.00 0.00 O ATOM 71 C3' DC A 3 25.016 -7.769 -10.237 1.00 0.00 C ATOM 72 O3' DC A 3 24.453 -9.083 -10.352 1.00 0.00 O ATOM 73 C2' DC A 3 26.265 -7.816 -9.371 1.00 0.00 C ATOM 74 C1' DC A 3 27.381 -8.052 -10.379 1.00 0.00 C ATOM 75 N1 DC A 3 28.663 -7.400 -10.025 1.00 0.00 N ATOM 76 C2 DC A 3 29.803 -8.191 -9.996 1.00 0.00 C ATOM 77 O2 DC A 3 29.735 -9.387 -10.262 1.00 0.00 O ATOM 78 N3 DC A 3 30.984 -7.607 -9.665 1.00 0.00 N ATOM 79 C4 DC A 3 31.056 -6.307 -9.373 1.00 0.00 C ATOM 80 N4 DC A 3 32.238 -5.779 -9.052 1.00 0.00 N ATOM 81 C5 DC A 3 29.887 -5.483 -9.402 1.00 0.00 C ATOM 82 C6 DC A 3 28.717 -6.067 -9.732 1.00 0.00 C ATOM 0 H5' DC A 3 25.720 -5.553 -12.836 1.00 0.00 H new ATOM 0 H5'' DC A 3 24.146 -5.727 -12.087 1.00 0.00 H new ATOM 0 H4' DC A 3 25.008 -7.882 -12.364 1.00 0.00 H new ATOM 0 H3' DC A 3 24.243 -7.118 -9.829 1.00 0.00 H new ATOM 0 H2' DC A 3 26.409 -6.886 -8.822 1.00 0.00 H new ATOM 0 H2'' DC A 3 26.213 -8.617 -8.633 1.00 0.00 H new ATOM 0 H1' DC A 3 27.572 -9.125 -10.407 1.00 0.00 H new ATOM 0 H41 DC A 3 32.309 -4.787 -8.826 1.00 0.00 H new ATOM 0 H42 DC A 3 33.071 -6.367 -9.032 1.00 0.00 H new ATOM 0 H5 DC A 3 29.940 -4.430 -9.168 1.00 0.00 H new ATOM 0 H6 DC A 3 27.814 -5.475 -9.765 1.00 0.00 H new ATOM 94 P DG A 4 23.731 -9.792 -9.093 1.00 0.00 P ATOM 95 OP1 DG A 4 22.307 -10.005 -9.435 1.00 0.00 O ATOM 96 OP2 DG A 4 24.093 -9.048 -7.863 1.00 0.00 O ATOM 97 O5' DG A 4 24.458 -11.229 -9.042 1.00 0.00 O ATOM 98 C5' DG A 4 24.454 -12.081 -10.191 1.00 0.00 C ATOM 99 C4' DG A 4 25.440 -13.244 -10.054 1.00 0.00 C ATOM 100 O4' DG A 4 26.765 -12.733 -9.862 1.00 0.00 O ATOM 101 C3' DG A 4 25.149 -14.182 -8.887 1.00 0.00 C ATOM 102 O3' DG A 4 25.539 -15.516 -9.254 1.00 0.00 O ATOM 103 C2' DG A 4 26.044 -13.649 -7.778 1.00 0.00 C ATOM 104 C1' DG A 4 27.225 -13.068 -8.544 1.00 0.00 C ATOM 105 N9 DG A 4 27.780 -11.840 -7.949 1.00 0.00 N ATOM 106 C8 DG A 4 27.117 -10.711 -7.547 1.00 0.00 C ATOM 107 N7 DG A 4 27.899 -9.769 -7.097 1.00 0.00 N ATOM 108 C5 DG A 4 29.173 -10.317 -7.206 1.00 0.00 C ATOM 109 C6 DG A 4 30.434 -9.758 -6.868 1.00 0.00 C ATOM 110 O6 DG A 4 30.670 -8.647 -6.399 1.00 0.00 O ATOM 111 N1 DG A 4 31.470 -10.639 -7.132 1.00 0.00 N ATOM 112 C2 DG A 4 31.313 -11.902 -7.656 1.00 0.00 C ATOM 113 N2 DG A 4 32.424 -12.606 -7.838 1.00 0.00 N ATOM 114 N3 DG A 4 30.131 -12.430 -7.975 1.00 0.00 N ATOM 115 C4 DG A 4 29.109 -11.584 -7.724 1.00 0.00 C ATOM 0 H5' DG A 4 24.706 -11.496 -11.075 1.00 0.00 H new ATOM 0 H5'' DG A 4 23.450 -12.475 -10.345 1.00 0.00 H new ATOM 0 H4' DG A 4 25.338 -13.815 -10.977 1.00 0.00 H new ATOM 0 H3' DG A 4 24.099 -14.219 -8.596 1.00 0.00 H new ATOM 0 H2' DG A 4 25.538 -12.891 -7.180 1.00 0.00 H new ATOM 0 H2'' DG A 4 26.355 -14.439 -7.095 1.00 0.00 H new ATOM 0 H1' DG A 4 28.014 -13.820 -8.532 1.00 0.00 H new ATOM 0 H8 DG A 4 26.043 -10.610 -7.598 1.00 0.00 H new ATOM 0 H1 DG A 4 32.419 -10.329 -6.923 1.00 0.00 H new ATOM 0 H21 DG A 4 32.373 -13.549 -8.223 1.00 0.00 H new ATOM 0 H22 DG A 4 33.329 -12.204 -7.593 1.00 0.00 H new ATOM 127 P DG A 5 25.535 -16.724 -8.184 1.00 0.00 P ATOM 128 OP1 DG A 5 25.097 -17.956 -8.878 1.00 0.00 O ATOM 129 OP2 DG A 5 24.822 -16.268 -6.968 1.00 0.00 O ATOM 130 O5' DG A 5 27.103 -16.876 -7.823 1.00 0.00 O ATOM 131 C5' DG A 5 28.048 -17.253 -8.835 1.00 0.00 C ATOM 132 C4' DG A 5 29.463 -17.429 -8.274 1.00 0.00 C ATOM 133 O4' DG A 5 29.937 -16.179 -7.749 1.00 0.00 O ATOM 134 C3' DG A 5 29.569 -18.464 -7.156 1.00 0.00 C ATOM 135 O3' DG A 5 30.795 -19.198 -7.295 1.00 0.00 O ATOM 136 C2' DG A 5 29.604 -17.621 -5.893 1.00 0.00 C ATOM 137 C1' DG A 5 30.272 -16.339 -6.364 1.00 0.00 C ATOM 138 N9 DG A 5 29.820 -15.125 -5.655 1.00 0.00 N ATOM 139 C8 DG A 5 28.539 -14.704 -5.420 1.00 0.00 C ATOM 140 N7 DG A 5 28.461 -13.567 -4.788 1.00 0.00 N ATOM 141 C5 DG A 5 29.789 -13.206 -4.587 1.00 0.00 C ATOM 142 C6 DG A 5 30.333 -12.059 -3.948 1.00 0.00 C ATOM 143 O6 DG A 5 29.736 -11.105 -3.447 1.00 0.00 O ATOM 144 N1 DG A 5 31.721 -12.086 -3.954 1.00 0.00 N ATOM 145 C2 DG A 5 32.491 -13.085 -4.507 1.00 0.00 C ATOM 146 N2 DG A 5 33.809 -12.934 -4.412 1.00 0.00 N ATOM 147 N3 DG A 5 31.983 -14.159 -5.112 1.00 0.00 N ATOM 148 C4 DG A 5 30.629 -14.154 -5.114 1.00 0.00 C ATOM 0 H5' DG A 5 28.062 -16.494 -9.617 1.00 0.00 H new ATOM 0 H5'' DG A 5 27.726 -18.184 -9.301 1.00 0.00 H new ATOM 0 H4' DG A 5 30.064 -17.781 -9.112 1.00 0.00 H new ATOM 0 H3' DG A 5 28.756 -19.190 -7.159 1.00 0.00 H new ATOM 0 H2' DG A 5 28.603 -17.436 -5.502 1.00 0.00 H new ATOM 0 H2'' DG A 5 30.172 -18.105 -5.099 1.00 0.00 H new ATOM 0 H1' DG A 5 31.340 -16.438 -6.172 1.00 0.00 H new ATOM 0 H8 DG A 5 27.670 -15.265 -5.731 1.00 0.00 H new ATOM 0 H1 DG A 5 32.208 -11.305 -3.515 1.00 0.00 H new ATOM 0 H21 DG A 5 34.433 -13.640 -4.802 1.00 0.00 H new ATOM 0 H22 DG A 5 34.196 -12.112 -3.949 1.00 0.00 H new ATOM 160 P DC A 6 31.227 -20.317 -6.214 1.00 0.00 P ATOM 161 OP1 DC A 6 31.957 -21.391 -6.927 1.00 0.00 O ATOM 162 OP2 DC A 6 30.044 -20.655 -5.392 1.00 0.00 O ATOM 163 O5' DC A 6 32.280 -19.526 -5.282 1.00 0.00 O ATOM 164 C5' DC A 6 33.586 -19.204 -5.777 1.00 0.00 C ATOM 165 C4' DC A 6 34.508 -18.668 -4.681 1.00 0.00 C ATOM 166 O4' DC A 6 34.010 -17.413 -4.198 1.00 0.00 O ATOM 167 C3' DC A 6 34.674 -19.598 -3.478 1.00 0.00 C ATOM 168 O3' DC A 6 36.054 -19.623 -3.082 1.00 0.00 O ATOM 169 C2' DC A 6 33.819 -18.954 -2.395 1.00 0.00 C ATOM 170 C1' DC A 6 33.809 -17.485 -2.784 1.00 0.00 C ATOM 171 N1 DC A 6 32.544 -16.790 -2.469 1.00 0.00 N ATOM 172 C2 DC A 6 32.618 -15.650 -1.684 1.00 0.00 C ATOM 173 O2 DC A 6 33.703 -15.245 -1.277 1.00 0.00 O ATOM 174 N3 DC A 6 31.463 -15.003 -1.383 1.00 0.00 N ATOM 175 C4 DC A 6 30.286 -15.449 -1.825 1.00 0.00 C ATOM 176 N4 DC A 6 29.179 -14.783 -1.507 1.00 0.00 N ATOM 177 C5 DC A 6 30.201 -16.624 -2.634 1.00 0.00 C ATOM 178 C6 DC A 6 31.349 -17.260 -2.931 1.00 0.00 C ATOM 0 H5' DC A 6 33.498 -18.461 -6.570 1.00 0.00 H new ATOM 0 H5'' DC A 6 34.033 -20.093 -6.221 1.00 0.00 H new ATOM 0 H4' DC A 6 35.486 -18.571 -5.153 1.00 0.00 H new ATOM 0 H3' DC A 6 34.378 -20.627 -3.682 1.00 0.00 H new ATOM 0 H2' DC A 6 32.812 -19.372 -2.376 1.00 0.00 H new ATOM 0 H2'' DC A 6 34.246 -19.105 -1.403 1.00 0.00 H new ATOM 0 H1' DC A 6 34.593 -16.992 -2.209 1.00 0.00 H new ATOM 0 H41 DC A 6 28.272 -15.113 -1.838 1.00 0.00 H new ATOM 0 H42 DC A 6 29.237 -13.943 -0.932 1.00 0.00 H new ATOM 0 H5 DC A 6 29.250 -16.988 -2.994 1.00 0.00 H new ATOM 0 H6 DC A 6 31.324 -18.151 -3.541 1.00 0.00 H new ATOM 190 P DT A 7 36.513 -20.257 -1.669 1.00 0.00 P ATOM 191 OP1 DT A 7 37.926 -20.681 -1.791 1.00 0.00 O ATOM 192 OP2 DT A 7 35.485 -21.229 -1.231 1.00 0.00 O ATOM 193 O5' DT A 7 36.457 -18.981 -0.688 1.00 0.00 O ATOM 194 C5' DT A 7 37.167 -17.788 -1.036 1.00 0.00 C ATOM 195 C4' DT A 7 37.330 -16.847 0.157 1.00 0.00 C ATOM 196 O4' DT A 7 36.105 -16.144 0.390 1.00 0.00 O ATOM 197 C3' DT A 7 37.716 -17.550 1.458 1.00 0.00 C ATOM 198 O3' DT A 7 38.665 -16.748 2.174 1.00 0.00 O ATOM 199 C2' DT A 7 36.406 -17.620 2.228 1.00 0.00 C ATOM 200 C1' DT A 7 35.658 -16.394 1.725 1.00 0.00 C ATOM 201 N1 DT A 7 34.189 -16.540 1.679 1.00 0.00 N ATOM 202 C2 DT A 7 33.431 -15.486 2.154 1.00 0.00 C ATOM 203 O2 DT A 7 33.941 -14.465 2.613 1.00 0.00 O ATOM 204 N3 DT A 7 32.058 -15.648 2.083 1.00 0.00 N ATOM 205 C4 DT A 7 31.392 -16.757 1.586 1.00 0.00 C ATOM 206 O4 DT A 7 30.162 -16.796 1.564 1.00 0.00 O ATOM 207 C5 DT A 7 32.268 -17.807 1.117 1.00 0.00 C ATOM 208 C7 DT A 7 31.665 -19.098 0.567 1.00 0.00 C ATOM 209 C6 DT A 7 33.609 -17.669 1.174 1.00 0.00 C ATOM 0 H5' DT A 7 36.636 -17.271 -1.835 1.00 0.00 H new ATOM 0 H5'' DT A 7 38.150 -18.052 -1.426 1.00 0.00 H new ATOM 0 H4' DT A 7 38.146 -16.175 -0.111 1.00 0.00 H new ATOM 0 H3' DT A 7 38.170 -18.529 1.303 1.00 0.00 H new ATOM 0 H2' DT A 7 35.862 -18.541 2.019 1.00 0.00 H new ATOM 0 H2'' DT A 7 36.567 -17.583 3.305 1.00 0.00 H new ATOM 0 H1' DT A 7 35.869 -15.587 2.427 1.00 0.00 H new ATOM 0 H3 DT A 7 31.483 -14.880 2.429 1.00 0.00 H new ATOM 0 H71 DT A 7 30.711 -19.292 1.058 1.00 0.00 H new ATOM 0 H72 DT A 7 31.507 -18.997 -0.507 1.00 0.00 H new ATOM 0 H73 DT A 7 32.346 -19.927 0.757 1.00 0.00 H new ATOM 0 H6 DT A 7 34.238 -18.469 0.812 1.00 0.00 H new ATOM 222 P DG A 8 39.489 -17.365 3.417 1.00 0.00 P ATOM 223 OP1 DG A 8 40.892 -16.903 3.319 1.00 0.00 O ATOM 224 OP2 DG A 8 39.196 -18.814 3.496 1.00 0.00 O ATOM 225 O5' DG A 8 38.810 -16.647 4.693 1.00 0.00 O ATOM 226 C5' DG A 8 39.185 -15.315 5.064 1.00 0.00 C ATOM 227 C4' DG A 8 38.494 -14.865 6.351 1.00 0.00 C ATOM 228 O4' DG A 8 37.077 -14.837 6.147 1.00 0.00 O ATOM 229 C3' DG A 8 38.767 -15.763 7.557 1.00 0.00 C ATOM 230 O3' DG A 8 38.938 -14.988 8.751 1.00 0.00 O ATOM 231 C2' DG A 8 37.526 -16.634 7.638 1.00 0.00 C ATOM 232 C1' DG A 8 36.443 -15.738 7.057 1.00 0.00 C ATOM 233 N9 DG A 8 35.405 -16.463 6.307 1.00 0.00 N ATOM 234 C8 DG A 8 35.514 -17.636 5.608 1.00 0.00 C ATOM 235 N7 DG A 8 34.402 -18.019 5.043 1.00 0.00 N ATOM 236 C5 DG A 8 33.492 -17.024 5.393 1.00 0.00 C ATOM 237 C6 DG A 8 32.115 -16.893 5.070 1.00 0.00 C ATOM 238 O6 DG A 8 31.413 -17.645 4.400 1.00 0.00 O ATOM 239 N1 DG A 8 31.570 -15.743 5.624 1.00 0.00 N ATOM 240 C2 DG A 8 32.260 -14.833 6.392 1.00 0.00 C ATOM 241 N2 DG A 8 31.570 -13.785 6.834 1.00 0.00 N ATOM 242 N3 DG A 8 33.552 -14.955 6.698 1.00 0.00 N ATOM 243 C4 DG A 8 34.100 -16.070 6.166 1.00 0.00 C ATOM 0 H5' DG A 8 38.931 -14.628 4.257 1.00 0.00 H new ATOM 0 H5'' DG A 8 40.266 -15.266 5.196 1.00 0.00 H new ATOM 0 H4' DG A 8 38.904 -13.880 6.574 1.00 0.00 H new ATOM 0 H3' DG A 8 39.684 -16.343 7.456 1.00 0.00 H new ATOM 0 H2' DG A 8 37.640 -17.554 7.064 1.00 0.00 H new ATOM 0 H2'' DG A 8 37.302 -16.924 8.665 1.00 0.00 H new ATOM 0 HO3' DG A 8 39.110 -15.587 9.508 1.00 0.00 H new ATOM 0 H1' DG A 8 35.950 -15.244 7.894 1.00 0.00 H new ATOM 0 H8 DG A 8 36.436 -18.193 5.532 1.00 0.00 H new ATOM 0 H1 DG A 8 30.582 -15.558 5.448 1.00 0.00 H new ATOM 0 H21 DG A 8 32.029 -13.078 7.408 1.00 0.00 H new ATOM 0 H22 DG A 8 30.582 -13.689 6.599 1.00 0.00 H new TER 256 DG A 8 ATOM 257 O5' DC B 1 22.988 -14.753 6.343 1.00 0.00 O ATOM 258 C5' DC B 1 22.927 -14.091 7.609 1.00 0.00 C ATOM 259 C4' DC B 1 24.032 -13.044 7.749 1.00 0.00 C ATOM 260 O4' DC B 1 25.315 -13.685 7.703 1.00 0.00 O ATOM 261 C3' DC B 1 24.006 -11.970 6.663 1.00 0.00 C ATOM 262 O3' DC B 1 24.249 -10.684 7.249 1.00 0.00 O ATOM 263 C2' DC B 1 25.153 -12.345 5.736 1.00 0.00 C ATOM 264 C1' DC B 1 26.091 -13.146 6.628 1.00 0.00 C ATOM 265 N1 DC B 1 26.748 -14.276 5.939 1.00 0.00 N ATOM 266 C2 DC B 1 28.136 -14.338 5.960 1.00 0.00 C ATOM 267 O2 DC B 1 28.789 -13.480 6.550 1.00 0.00 O ATOM 268 N3 DC B 1 28.744 -15.370 5.316 1.00 0.00 N ATOM 269 C4 DC B 1 28.025 -16.302 4.678 1.00 0.00 C ATOM 270 N4 DC B 1 28.651 -17.296 4.054 1.00 0.00 N ATOM 271 C5 DC B 1 26.597 -16.244 4.656 1.00 0.00 C ATOM 272 C6 DC B 1 26.004 -15.220 5.297 1.00 0.00 C ATOM 0 H5' DC B 1 23.017 -14.826 8.409 1.00 0.00 H new ATOM 0 H5'' DC B 1 21.954 -13.612 7.724 1.00 0.00 H new ATOM 0 H4' DC B 1 23.855 -12.553 8.706 1.00 0.00 H new ATOM 0 H3' DC B 1 23.049 -11.916 6.144 1.00 0.00 H new ATOM 0 H2' DC B 1 24.806 -12.935 4.888 1.00 0.00 H new ATOM 0 H2'' DC B 1 25.645 -11.461 5.329 1.00 0.00 H new ATOM 0 HO5' DC B 1 22.270 -15.417 6.286 1.00 0.00 H new ATOM 0 H1' DC B 1 26.877 -12.468 6.960 1.00 0.00 H new ATOM 0 H41 DC B 1 28.112 -18.011 3.565 1.00 0.00 H new ATOM 0 H42 DC B 1 29.670 -17.343 4.064 1.00 0.00 H new ATOM 0 H5 DC B 1 26.015 -16.995 4.143 1.00 0.00 H new ATOM 0 H6 DC B 1 24.927 -15.146 5.303 1.00 0.00 H new ATOM 285 P DA B 2 23.907 -9.332 6.434 1.00 0.00 P ATOM 286 OP1 DA B 2 23.290 -8.369 7.377 1.00 0.00 O ATOM 287 OP2 DA B 2 23.195 -9.705 5.191 1.00 0.00 O ATOM 288 O5' DA B 2 25.369 -8.783 6.031 1.00 0.00 O ATOM 289 C5' DA B 2 26.202 -8.155 7.011 1.00 0.00 C ATOM 290 C4' DA B 2 27.610 -7.875 6.488 1.00 0.00 C ATOM 291 O4' DA B 2 28.225 -9.097 6.058 1.00 0.00 O ATOM 292 C3' DA B 2 27.666 -6.892 5.320 1.00 0.00 C ATOM 293 O3' DA B 2 28.758 -5.982 5.530 1.00 0.00 O ATOM 294 C2' DA B 2 27.919 -7.771 4.106 1.00 0.00 C ATOM 295 C1' DA B 2 28.636 -8.974 4.691 1.00 0.00 C ATOM 296 N9 DA B 2 28.316 -10.237 4.012 1.00 0.00 N ATOM 297 C8 DA B 2 27.115 -10.642 3.498 1.00 0.00 C ATOM 298 N7 DA B 2 27.146 -11.831 2.959 1.00 0.00 N ATOM 299 C5 DA B 2 28.469 -12.235 3.128 1.00 0.00 C ATOM 300 C6 DA B 2 29.160 -13.406 2.773 1.00 0.00 C ATOM 301 N6 DA B 2 28.590 -14.434 2.146 1.00 0.00 N ATOM 302 N1 DA B 2 30.461 -13.472 3.090 1.00 0.00 N ATOM 303 C2 DA B 2 31.033 -12.452 3.713 1.00 0.00 C ATOM 304 N3 DA B 2 30.496 -11.307 4.102 1.00 0.00 N ATOM 305 C4 DA B 2 29.187 -11.267 3.769 1.00 0.00 C ATOM 0 H5' DA B 2 26.265 -8.793 7.892 1.00 0.00 H new ATOM 0 H5'' DA B 2 25.743 -7.219 7.328 1.00 0.00 H new ATOM 0 H4' DA B 2 28.139 -7.420 7.326 1.00 0.00 H new ATOM 0 H3' DA B 2 26.762 -6.294 5.206 1.00 0.00 H new ATOM 0 H2' DA B 2 26.989 -8.056 3.615 1.00 0.00 H new ATOM 0 H2'' DA B 2 28.530 -7.262 3.361 1.00 0.00 H new ATOM 0 H1' DA B 2 29.707 -8.806 4.574 1.00 0.00 H new ATOM 0 H8 DA B 2 26.223 -10.034 3.535 1.00 0.00 H new ATOM 0 H61 DA B 2 29.142 -15.259 1.913 1.00 0.00 H new ATOM 0 H62 DA B 2 27.601 -14.396 1.899 1.00 0.00 H new ATOM 0 H2 DA B 2 32.083 -12.572 3.934 1.00 0.00 H new ATOM 317 P DG B 3 29.309 -5.020 4.356 1.00 0.00 P ATOM 318 OP1 DG B 3 29.729 -3.737 4.964 1.00 0.00 O ATOM 319 OP2 DG B 3 28.327 -5.019 3.246 1.00 0.00 O ATOM 320 O5' DG B 3 30.634 -5.800 3.860 1.00 0.00 O ATOM 321 C5' DG B 3 31.701 -6.062 4.783 1.00 0.00 C ATOM 322 C4' DG B 3 32.918 -6.701 4.108 1.00 0.00 C ATOM 323 O4' DG B 3 32.594 -8.018 3.641 1.00 0.00 O ATOM 324 C3' DG B 3 33.467 -5.917 2.924 1.00 0.00 C ATOM 325 O3' DG B 3 34.902 -5.947 2.952 1.00 0.00 O ATOM 326 C2' DG B 3 32.947 -6.677 1.722 1.00 0.00 C ATOM 327 C1' DG B 3 32.857 -8.100 2.238 1.00 0.00 C ATOM 328 N9 DG B 3 31.773 -8.880 1.626 1.00 0.00 N ATOM 329 C8 DG B 3 30.456 -8.536 1.493 1.00 0.00 C ATOM 330 N7 DG B 3 29.729 -9.445 0.904 1.00 0.00 N ATOM 331 C5 DG B 3 30.636 -10.466 0.625 1.00 0.00 C ATOM 332 C6 DG B 3 30.429 -11.720 -0.011 1.00 0.00 C ATOM 333 O6 DG B 3 29.384 -12.186 -0.456 1.00 0.00 O ATOM 334 N1 DG B 3 31.607 -12.448 -0.093 1.00 0.00 N ATOM 335 C2 DG B 3 32.832 -12.027 0.376 1.00 0.00 C ATOM 336 N2 DG B 3 33.850 -12.863 0.203 1.00 0.00 N ATOM 337 N3 DG B 3 33.028 -10.853 0.974 1.00 0.00 N ATOM 338 C4 DG B 3 31.890 -10.126 1.065 1.00 0.00 C ATOM 0 H5' DG B 3 31.340 -6.721 5.573 1.00 0.00 H new ATOM 0 H5'' DG B 3 32.002 -5.129 5.259 1.00 0.00 H new ATOM 0 H4' DG B 3 33.687 -6.717 4.880 1.00 0.00 H new ATOM 0 H3' DG B 3 33.168 -4.869 2.921 1.00 0.00 H new ATOM 0 H2' DG B 3 31.977 -6.303 1.396 1.00 0.00 H new ATOM 0 H2'' DG B 3 33.622 -6.598 0.870 1.00 0.00 H new ATOM 0 H1' DG B 3 33.792 -8.604 1.995 1.00 0.00 H new ATOM 0 H8 DG B 3 30.054 -7.597 1.844 1.00 0.00 H new ATOM 0 H1 DG B 3 31.563 -13.366 -0.535 1.00 0.00 H new ATOM 0 H21 DG B 3 34.782 -12.607 0.529 1.00 0.00 H new ATOM 0 H22 DG B 3 33.700 -13.761 -0.256 1.00 0.00 H new HETATM 350 P N4S B 4 35.776 -5.285 1.767 1.00 0.00 P HETATM 351 OP1 N4S B 4 36.970 -4.655 2.376 1.00 0.00 O HETATM 352 OP2 N4S B 4 34.873 -4.478 0.914 1.00 0.00 O HETATM 353 C5' N4S B 4 37.252 -7.461 1.440 1.00 0.00 C HETATM 354 O5' N4S B 4 36.259 -6.567 0.917 1.00 0.00 O HETATM 355 C4' N4S B 4 37.718 -8.475 0.394 1.00 0.00 C HETATM 356 O4' N4S B 4 36.596 -9.245 -0.057 1.00 0.00 O HETATM 357 C3' N4S B 4 38.369 -7.851 -0.842 1.00 0.00 C HETATM 358 O3' N4S B 4 39.454 -8.688 -1.277 1.00 0.00 O HETATM 359 C2' N4S B 4 37.246 -7.853 -1.868 1.00 0.00 C HETATM 360 C1' N4S B 4 36.440 -9.078 -1.469 1.00 0.00 C HETATM 361 N1 N4S B 4 34.999 -8.958 -1.747 1.00 0.00 N HETATM 362 C2 N4S B 4 34.379 -10.005 -2.409 1.00 0.00 C HETATM 363 O2 N4S B 4 35.022 -10.995 -2.754 1.00 0.00 O HETATM 364 N3 N4S B 4 33.053 -9.902 -2.668 1.00 0.00 N HETATM 365 C4 N4S B 4 32.353 -8.824 -2.299 1.00 0.00 C HETATM 366 N4 N4S B 4 31.058 -8.780 -2.582 1.00 0.00 N HETATM 367 C5 N4S B 4 32.990 -7.740 -1.612 1.00 0.00 C HETATM 368 C6 N4S B 4 34.304 -7.850 -1.358 1.00 0.00 C HETATM 369 CA N4S B 4 30.226 -7.606 -2.197 1.00 0.00 C HETATM 370 CB N4S B 4 29.058 -7.443 -3.182 1.00 0.00 C HETATM 371 CC N4S B 4 29.580 -6.905 -4.529 1.00 0.00 C HETATM 372 CE N4S B 4 27.489 -6.211 -5.528 1.00 0.00 C HETATM 373 CF N4S B 4 27.893 -4.846 -6.129 1.00 0.00 C HETATM 374 CG N4S B 4 27.902 -3.761 -5.032 1.00 0.00 C HETATM 375 CH N4S B 4 28.581 -2.477 -5.551 1.00 0.00 C HETATM 376 CJ N4S B 4 29.442 -0.302 -4.866 1.00 0.00 C HETATM 377 CK N4S B 4 29.881 0.445 -3.589 1.00 0.00 C HETATM 378 CL N4S B 4 30.684 1.706 -3.965 1.00 0.00 C HETATM 379 ND N4S B 4 28.607 -7.178 -5.607 1.00 0.00 N HETATM 380 NI N4S B 4 28.500 -1.400 -4.533 1.00 0.00 N HETATM 381 NM N4S B 4 31.041 2.472 -2.752 1.00 0.00 N ATOM 416 P DC B 5 40.069 -8.572 -2.767 1.00 0.00 P ATOM 417 OP1 DC B 5 41.474 -9.033 -2.724 1.00 0.00 O ATOM 418 OP2 DC B 5 39.757 -7.225 -3.300 1.00 0.00 O ATOM 419 O5' DC B 5 39.211 -9.659 -3.587 1.00 0.00 O ATOM 420 C5' DC B 5 39.327 -11.054 -3.279 1.00 0.00 C ATOM 421 C4' DC B 5 38.936 -11.929 -4.466 1.00 0.00 C ATOM 422 O4' DC B 5 37.538 -11.784 -4.736 1.00 0.00 O ATOM 423 C3' DC B 5 39.699 -11.613 -5.745 1.00 0.00 C ATOM 424 O3' DC B 5 40.072 -12.839 -6.387 1.00 0.00 O ATOM 425 C2' DC B 5 38.695 -10.858 -6.599 1.00 0.00 C ATOM 426 C1' DC B 5 37.350 -11.347 -6.083 1.00 0.00 C ATOM 427 N1 DC B 5 36.288 -10.317 -6.068 1.00 0.00 N ATOM 428 C2 DC B 5 35.129 -10.578 -6.783 1.00 0.00 C ATOM 429 O2 DC B 5 35.016 -11.621 -7.421 1.00 0.00 O ATOM 430 N3 DC B 5 34.133 -9.653 -6.756 1.00 0.00 N ATOM 431 C4 DC B 5 34.264 -8.520 -6.060 1.00 0.00 C ATOM 432 N4 DC B 5 33.264 -7.639 -6.056 1.00 0.00 N ATOM 433 C5 DC B 5 35.455 -8.243 -5.322 1.00 0.00 C ATOM 434 C6 DC B 5 36.438 -9.163 -5.351 1.00 0.00 C ATOM 0 H5' DC B 5 38.691 -11.292 -2.426 1.00 0.00 H new ATOM 0 H5'' DC B 5 40.352 -11.277 -2.984 1.00 0.00 H new ATOM 0 H4' DC B 5 39.189 -12.949 -4.176 1.00 0.00 H new ATOM 0 H3' DC B 5 40.611 -11.041 -5.573 1.00 0.00 H new ATOM 0 H2' DC B 5 38.801 -9.779 -6.484 1.00 0.00 H new ATOM 0 H2'' DC B 5 38.823 -11.079 -7.659 1.00 0.00 H new ATOM 0 H1' DC B 5 37.021 -12.134 -6.762 1.00 0.00 H new ATOM 0 H41 DC B 5 33.352 -6.770 -5.529 1.00 0.00 H new ATOM 0 H42 DC B 5 32.411 -7.833 -6.580 1.00 0.00 H new ATOM 0 H5 DC B 5 35.564 -7.327 -4.760 1.00 0.00 H new ATOM 0 H6 DC B 5 37.352 -8.988 -4.803 1.00 0.00 H new ATOM 446 P DG B 6 40.978 -12.837 -7.720 1.00 0.00 P ATOM 447 OP1 DG B 6 41.908 -13.986 -7.650 1.00 0.00 O ATOM 448 OP2 DG B 6 41.508 -11.469 -7.921 1.00 0.00 O ATOM 449 O5' DG B 6 39.897 -13.133 -8.879 1.00 0.00 O ATOM 450 C5' DG B 6 39.225 -14.398 -8.933 1.00 0.00 C ATOM 451 C4' DG B 6 38.150 -14.437 -10.016 1.00 0.00 C ATOM 452 O4' DG B 6 37.124 -13.474 -9.731 1.00 0.00 O ATOM 453 C3' DG B 6 38.659 -14.161 -11.427 1.00 0.00 C ATOM 454 O3' DG B 6 38.010 -15.056 -12.343 1.00 0.00 O ATOM 455 C2' DG B 6 38.230 -12.725 -11.692 1.00 0.00 C ATOM 456 C1' DG B 6 36.971 -12.600 -10.853 1.00 0.00 C ATOM 457 N9 DG B 6 36.707 -11.242 -10.343 1.00 0.00 N ATOM 458 C8 DG B 6 37.580 -10.337 -9.796 1.00 0.00 C ATOM 459 N7 DG B 6 37.021 -9.211 -9.442 1.00 0.00 N ATOM 460 C5 DG B 6 35.682 -9.384 -9.780 1.00 0.00 C ATOM 461 C6 DG B 6 34.577 -8.498 -9.635 1.00 0.00 C ATOM 462 O6 DG B 6 34.564 -7.360 -9.170 1.00 0.00 O ATOM 463 N1 DG B 6 33.404 -9.070 -10.105 1.00 0.00 N ATOM 464 C2 DG B 6 33.302 -10.332 -10.646 1.00 0.00 C ATOM 465 N2 DG B 6 32.091 -10.709 -11.043 1.00 0.00 N ATOM 466 N3 DG B 6 34.333 -11.162 -10.783 1.00 0.00 N ATOM 467 C4 DG B 6 35.485 -10.624 -10.331 1.00 0.00 C ATOM 0 H5' DG B 6 38.770 -14.607 -7.965 1.00 0.00 H new ATOM 0 H5'' DG B 6 39.954 -15.187 -9.119 1.00 0.00 H new ATOM 0 H4' DG B 6 37.773 -15.460 -9.996 1.00 0.00 H new ATOM 0 H3' DG B 6 39.734 -14.301 -11.541 1.00 0.00 H new ATOM 0 H2' DG B 6 38.994 -12.010 -11.387 1.00 0.00 H new ATOM 0 H2'' DG B 6 38.033 -12.549 -12.749 1.00 0.00 H new ATOM 0 H1' DG B 6 36.128 -12.853 -11.496 1.00 0.00 H new ATOM 0 H8 DG B 6 38.634 -10.537 -9.669 1.00 0.00 H new ATOM 0 H1 DG B 6 32.552 -8.513 -10.045 1.00 0.00 H new ATOM 0 H21 DG B 6 31.953 -11.633 -11.452 1.00 0.00 H new ATOM 0 H22 DG B 6 31.300 -10.074 -10.939 1.00 0.00 H new ATOM 479 P DA B 7 38.295 -14.994 -13.930 1.00 0.00 P ATOM 480 OP1 DA B 7 38.486 -16.378 -14.421 1.00 0.00 O ATOM 481 OP2 DA B 7 39.338 -13.973 -14.180 1.00 0.00 O ATOM 482 O5' DA B 7 36.895 -14.439 -14.510 1.00 0.00 O ATOM 483 C5' DA B 7 35.701 -15.223 -14.391 1.00 0.00 C ATOM 484 C4' DA B 7 34.506 -14.565 -15.083 1.00 0.00 C ATOM 485 O4' DA B 7 34.113 -13.382 -14.378 1.00 0.00 O ATOM 486 C3' DA B 7 34.759 -14.177 -16.538 1.00 0.00 C ATOM 487 O3' DA B 7 33.620 -14.545 -17.330 1.00 0.00 O ATOM 488 C2' DA B 7 34.918 -12.665 -16.501 1.00 0.00 C ATOM 489 C1' DA B 7 34.132 -12.260 -15.266 1.00 0.00 C ATOM 490 N9 DA B 7 34.726 -11.129 -14.540 1.00 0.00 N ATOM 491 C8 DA B 7 36.032 -10.945 -14.181 1.00 0.00 C ATOM 492 N7 DA B 7 36.256 -9.819 -13.560 1.00 0.00 N ATOM 493 C5 DA B 7 34.999 -9.217 -13.506 1.00 0.00 C ATOM 494 C6 DA B 7 34.551 -7.996 -12.973 1.00 0.00 C ATOM 495 N6 DA B 7 35.356 -7.126 -12.369 1.00 0.00 N ATOM 496 N1 DA B 7 33.243 -7.714 -13.094 1.00 0.00 N ATOM 497 C2 DA B 7 32.446 -8.586 -13.700 1.00 0.00 C ATOM 498 N3 DA B 7 32.746 -9.756 -14.237 1.00 0.00 N ATOM 499 C4 DA B 7 34.064 -10.012 -14.101 1.00 0.00 C ATOM 0 H5' DA B 7 35.471 -15.373 -13.336 1.00 0.00 H new ATOM 0 H5'' DA B 7 35.871 -16.209 -14.823 1.00 0.00 H new ATOM 0 H4' DA B 7 33.722 -15.322 -15.073 1.00 0.00 H new ATOM 0 H3' DA B 7 35.629 -14.670 -16.971 1.00 0.00 H new ATOM 0 H2' DA B 7 35.965 -12.373 -16.425 1.00 0.00 H new ATOM 0 H2'' DA B 7 34.521 -12.197 -17.402 1.00 0.00 H new ATOM 0 H1' DA B 7 33.139 -11.953 -15.595 1.00 0.00 H new ATOM 0 H8 DA B 7 36.808 -11.666 -14.392 1.00 0.00 H new ATOM 0 H61 DA B 7 34.979 -6.253 -12.000 1.00 0.00 H new ATOM 0 H62 DA B 7 36.351 -7.332 -12.275 1.00 0.00 H new ATOM 0 H2 DA B 7 31.407 -8.299 -13.763 1.00 0.00 H new ATOM 511 P DC B 8 33.483 -14.091 -18.871 1.00 0.00 P ATOM 512 OP1 DC B 8 32.707 -15.127 -19.590 1.00 0.00 O ATOM 513 OP2 DC B 8 34.823 -13.700 -19.364 1.00 0.00 O ATOM 514 O5' DC B 8 32.575 -12.763 -18.765 1.00 0.00 O ATOM 515 C5' DC B 8 31.229 -12.836 -18.280 1.00 0.00 C ATOM 516 C4' DC B 8 30.562 -11.463 -18.251 1.00 0.00 C ATOM 517 O4' DC B 8 31.277 -10.606 -17.350 1.00 0.00 O ATOM 518 C3' DC B 8 30.512 -10.766 -19.617 1.00 0.00 C ATOM 519 O3' DC B 8 29.199 -10.260 -19.891 1.00 0.00 O ATOM 520 C2' DC B 8 31.521 -9.634 -19.479 1.00 0.00 C ATOM 521 C1' DC B 8 31.498 -9.353 -17.987 1.00 0.00 C ATOM 522 N1 DC B 8 32.754 -8.784 -17.445 1.00 0.00 N ATOM 523 C2 DC B 8 32.660 -7.609 -16.714 1.00 0.00 C ATOM 524 O2 DC B 8 31.567 -7.079 -16.536 1.00 0.00 O ATOM 525 N3 DC B 8 33.800 -7.072 -16.204 1.00 0.00 N ATOM 526 C4 DC B 8 34.985 -7.659 -16.398 1.00 0.00 C ATOM 527 N4 DC B 8 36.078 -7.100 -15.880 1.00 0.00 N ATOM 528 C5 DC B 8 35.092 -8.871 -17.150 1.00 0.00 C ATOM 529 C6 DC B 8 33.957 -9.398 -17.653 1.00 0.00 C ATOM 0 H5' DC B 8 31.227 -13.263 -17.277 1.00 0.00 H new ATOM 0 H5'' DC B 8 30.650 -13.508 -18.914 1.00 0.00 H new ATOM 0 H4' DC B 8 29.535 -11.636 -17.931 1.00 0.00 H new ATOM 0 H3' DC B 8 30.743 -11.438 -20.444 1.00 0.00 H new ATOM 0 H2' DC B 8 32.513 -9.930 -19.821 1.00 0.00 H new ATOM 0 H2'' DC B 8 31.231 -8.759 -20.061 1.00 0.00 H new ATOM 0 HO3' DC B 8 29.194 -9.819 -20.766 1.00 0.00 H new ATOM 0 H1' DC B 8 30.724 -8.608 -17.802 1.00 0.00 H new ATOM 0 H41 DC B 8 36.989 -7.537 -16.020 1.00 0.00 H new ATOM 0 H42 DC B 8 36.003 -6.236 -15.344 1.00 0.00 H new ATOM 0 H5 DC B 8 36.048 -9.347 -17.309 1.00 0.00 H new ATOM 0 H6 DC B 8 33.999 -10.313 -18.225 1.00 0.00 H new TER 542 DC B 8