USER MOD reduce.3.24.130724 H: found=0, std=0, add=127, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 127 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 52:sc= 1.34 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl 150:sc= -1.21 (180deg=-1.21) USER MOD Single : A 7 DT C7 :methyl 150:sc= -0.188 (180deg=-0.188) USER MOD Single : A 9 DT C7 :methyl -30:sc= -0.279 (180deg=-1.44!) USER MOD Single : A 11 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.638 -0.154 -5.780 1.00 0.00 O ATOM 2 C5' DG A 1 -4.732 -0.498 -7.153 1.00 0.00 C ATOM 3 C4' DG A 1 -5.288 -1.911 -7.420 1.00 0.00 C ATOM 4 O4' DG A 1 -4.341 -2.908 -7.049 1.00 0.00 O ATOM 5 C3' DG A 1 -6.591 -2.226 -6.664 1.00 0.00 C ATOM 6 O3' DG A 1 -7.372 -3.108 -7.464 1.00 0.00 O ATOM 7 C2' DG A 1 -6.070 -2.946 -5.430 1.00 0.00 C ATOM 8 C1' DG A 1 -4.903 -3.717 -6.027 1.00 0.00 C ATOM 9 N9 DG A 1 -3.890 -4.081 -5.021 1.00 0.00 N ATOM 10 C8 DG A 1 -3.457 -5.355 -4.749 1.00 0.00 C ATOM 11 N7 DG A 1 -2.450 -5.409 -3.924 1.00 0.00 N ATOM 12 C5 DG A 1 -2.195 -4.063 -3.620 1.00 0.00 C ATOM 13 C6 DG A 1 -1.211 -3.462 -2.764 1.00 0.00 C ATOM 14 O6 DG A 1 -0.347 -4.028 -2.092 1.00 0.00 O ATOM 15 N1 DG A 1 -1.290 -2.086 -2.729 1.00 0.00 N ATOM 16 C2 DG A 1 -2.191 -1.345 -3.421 1.00 0.00 C ATOM 17 N2 DG A 1 -2.160 -0.037 -3.299 1.00 0.00 N ATOM 18 N3 DG A 1 -3.119 -1.868 -4.228 1.00 0.00 N ATOM 19 C4 DG A 1 -3.073 -3.237 -4.289 1.00 0.00 C ATOM 0 H5' DG A 1 -3.742 -0.419 -7.603 1.00 0.00 H new ATOM 0 H5'' DG A 1 -5.369 0.230 -7.655 1.00 0.00 H new ATOM 0 H4' DG A 1 -5.495 -1.925 -8.490 1.00 0.00 H new ATOM 0 H3' DG A 1 -7.214 -1.363 -6.429 1.00 0.00 H new ATOM 0 H2' DG A 1 -5.753 -2.254 -4.650 1.00 0.00 H new ATOM 0 H2'' DG A 1 -6.818 -3.604 -4.988 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.153 -0.857 -5.299 1.00 0.00 H new ATOM 0 H1' DG A 1 -5.263 -4.663 -6.432 1.00 0.00 H new ATOM 0 H8 DG A 1 -3.911 -6.235 -5.181 1.00 0.00 H new ATOM 0 H1 DG A 1 -0.622 -1.589 -2.140 1.00 0.00 H new ATOM 0 H21 DG A 1 -2.829 0.539 -3.811 1.00 0.00 H new ATOM 0 H22 DG A 1 -1.467 0.402 -2.693 1.00 0.00 H new ATOM 32 P DG A 2 -8.932 -3.327 -7.248 1.00 0.00 P ATOM 33 OP1 DG A 2 -9.357 -4.318 -8.263 1.00 0.00 O ATOM 34 OP2 DG A 2 -9.598 -2.011 -7.200 1.00 0.00 O ATOM 35 O5' DG A 2 -9.089 -3.964 -5.799 1.00 0.00 O ATOM 36 C5' DG A 2 -8.825 -5.333 -5.534 1.00 0.00 C ATOM 37 C4' DG A 2 -9.019 -5.726 -4.055 1.00 0.00 C ATOM 38 O4' DG A 2 -7.724 -5.674 -3.447 1.00 0.00 O ATOM 39 C3' DG A 2 -9.984 -4.805 -3.275 1.00 0.00 C ATOM 40 O3' DG A 2 -10.973 -5.357 -2.404 1.00 0.00 O ATOM 41 C2' DG A 2 -9.000 -3.938 -2.521 1.00 0.00 C ATOM 42 C1' DG A 2 -7.791 -4.847 -2.300 1.00 0.00 C ATOM 43 N9 DG A 2 -6.559 -4.060 -2.041 1.00 0.00 N ATOM 44 C8 DG A 2 -6.399 -2.692 -2.090 1.00 0.00 C ATOM 45 N7 DG A 2 -5.306 -2.257 -1.553 1.00 0.00 N ATOM 46 C5 DG A 2 -4.676 -3.413 -1.102 1.00 0.00 C ATOM 47 C6 DG A 2 -3.432 -3.593 -0.420 1.00 0.00 C ATOM 48 O6 DG A 2 -2.617 -2.752 -0.064 1.00 0.00 O ATOM 49 N1 DG A 2 -3.145 -4.907 -0.140 1.00 0.00 N ATOM 50 C2 DG A 2 -3.956 -5.936 -0.472 1.00 0.00 C ATOM 51 N2 DG A 2 -3.550 -7.131 -0.139 1.00 0.00 N ATOM 52 N3 DG A 2 -5.123 -5.829 -1.103 1.00 0.00 N ATOM 53 C4 DG A 2 -5.433 -4.526 -1.396 1.00 0.00 C ATOM 0 H5' DG A 2 -7.801 -5.561 -5.830 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.480 -5.947 -6.153 1.00 0.00 H new ATOM 0 H4' DG A 2 -9.472 -6.717 -4.022 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.665 -4.327 -3.980 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.731 -3.050 -3.094 1.00 0.00 H new ATOM 0 H2'' DG A 2 -9.417 -3.593 -1.575 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.890 -5.465 -1.408 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.128 -2.036 -2.541 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.273 -5.117 0.345 1.00 0.00 H new ATOM 0 H21 DG A 2 -4.122 -7.945 -0.364 1.00 0.00 H new ATOM 0 H22 DG A 2 -2.661 -7.251 0.347 1.00 0.00 H new ATOM 65 P DT A 3 -10.714 -6.388 -1.199 1.00 0.00 P ATOM 66 OP1 DT A 3 -9.926 -7.514 -1.744 1.00 0.00 O ATOM 67 OP2 DT A 3 -12.048 -6.661 -0.624 1.00 0.00 O ATOM 68 O5' DT A 3 -9.842 -5.619 -0.090 1.00 0.00 O ATOM 69 C5' DT A 3 -10.425 -4.628 0.748 1.00 0.00 C ATOM 70 C4' DT A 3 -9.470 -4.040 1.801 1.00 0.00 C ATOM 71 O4' DT A 3 -9.106 -5.057 2.729 1.00 0.00 O ATOM 72 C3' DT A 3 -8.163 -3.411 1.299 1.00 0.00 C ATOM 73 O3' DT A 3 -7.822 -2.325 2.144 1.00 0.00 O ATOM 74 C2' DT A 3 -7.154 -4.523 1.498 1.00 0.00 C ATOM 75 C1' DT A 3 -7.688 -5.097 2.805 1.00 0.00 C ATOM 76 N1 DT A 3 -7.174 -6.468 3.032 1.00 0.00 N ATOM 77 C2 DT A 3 -6.456 -6.705 4.211 1.00 0.00 C ATOM 78 O2 DT A 3 -6.278 -5.869 5.096 1.00 0.00 O ATOM 79 N3 DT A 3 -5.887 -7.948 4.345 1.00 0.00 N ATOM 80 C4 DT A 3 -5.861 -8.925 3.376 1.00 0.00 C ATOM 81 O4 DT A 3 -5.191 -9.935 3.591 1.00 0.00 O ATOM 82 C5 DT A 3 -6.637 -8.621 2.168 1.00 0.00 C ATOM 83 C7 DT A 3 -6.733 -9.637 1.044 1.00 0.00 C ATOM 84 C6 DT A 3 -7.274 -7.423 2.038 1.00 0.00 C ATOM 0 H5' DT A 3 -11.285 -5.062 1.258 1.00 0.00 H new ATOM 0 H5'' DT A 3 -10.800 -3.817 0.123 1.00 0.00 H new ATOM 0 H4' DT A 3 -10.049 -3.222 2.230 1.00 0.00 H new ATOM 0 H3' DT A 3 -8.217 -3.044 0.274 1.00 0.00 H new ATOM 0 H2' DT A 3 -7.161 -5.249 0.685 1.00 0.00 H new ATOM 0 H2'' DT A 3 -6.132 -4.154 1.586 1.00 0.00 H new ATOM 0 H1' DT A 3 -7.349 -4.510 3.659 1.00 0.00 H new ATOM 0 H3 DT A 3 -5.446 -8.165 5.239 1.00 0.00 H new ATOM 0 H71 DT A 3 -7.687 -9.521 0.529 1.00 0.00 H new ATOM 0 H72 DT A 3 -5.918 -9.477 0.338 1.00 0.00 H new ATOM 0 H73 DT A 3 -6.663 -10.644 1.456 1.00 0.00 H new ATOM 0 H6 DT A 3 -7.860 -7.219 1.154 1.00 0.00 H new ATOM 97 P DT A 4 -6.757 -1.250 1.660 1.00 0.00 P ATOM 98 OP1 DT A 4 -7.384 -0.503 0.551 1.00 0.00 O ATOM 99 OP2 DT A 4 -5.449 -1.902 1.483 1.00 0.00 O ATOM 100 O5' DT A 4 -6.602 -0.260 2.888 1.00 0.00 O ATOM 101 C5' DT A 4 -5.609 0.748 2.825 1.00 0.00 C ATOM 102 C4' DT A 4 -5.880 1.935 3.733 1.00 0.00 C ATOM 103 O4' DT A 4 -7.255 2.256 3.520 1.00 0.00 O ATOM 104 C3' DT A 4 -5.665 1.630 5.216 1.00 0.00 C ATOM 105 O3' DT A 4 -5.040 2.660 5.988 1.00 0.00 O ATOM 106 C2' DT A 4 -7.046 1.217 5.691 1.00 0.00 C ATOM 107 C1' DT A 4 -7.986 1.900 4.685 1.00 0.00 C ATOM 108 N1 DT A 4 -9.290 1.188 4.449 1.00 0.00 N ATOM 109 C2 DT A 4 -10.462 1.963 4.510 1.00 0.00 C ATOM 110 O2 DT A 4 -10.476 3.184 4.656 1.00 0.00 O ATOM 111 N3 DT A 4 -11.667 1.296 4.487 1.00 0.00 N ATOM 112 C4 DT A 4 -11.834 -0.065 4.567 1.00 0.00 C ATOM 113 O4 DT A 4 -12.976 -0.523 4.653 1.00 0.00 O ATOM 114 C5 DT A 4 -10.586 -0.826 4.551 1.00 0.00 C ATOM 115 C7 DT A 4 -10.631 -2.338 4.685 1.00 0.00 C ATOM 116 C6 DT A 4 -9.384 -0.195 4.443 1.00 0.00 C ATOM 0 H5' DT A 4 -5.527 1.100 1.797 1.00 0.00 H new ATOM 0 H5'' DT A 4 -4.646 0.313 3.090 1.00 0.00 H new ATOM 0 H4' DT A 4 -5.190 2.745 3.494 1.00 0.00 H new ATOM 0 H3' DT A 4 -4.921 0.846 5.358 1.00 0.00 H new ATOM 0 H2' DT A 4 -7.167 0.134 5.683 1.00 0.00 H new ATOM 0 H2'' DT A 4 -7.237 1.551 6.711 1.00 0.00 H new ATOM 0 H1' DT A 4 -8.346 2.826 5.133 1.00 0.00 H new ATOM 0 H3 DT A 4 -12.510 1.863 4.403 1.00 0.00 H new ATOM 0 H71 DT A 4 -9.788 -2.776 4.151 1.00 0.00 H new ATOM 0 H72 DT A 4 -10.575 -2.612 5.739 1.00 0.00 H new ATOM 0 H73 DT A 4 -11.563 -2.713 4.262 1.00 0.00 H new ATOM 0 H6 DT A 4 -8.484 -0.785 4.351 1.00 0.00 H new ATOM 129 P DG A 5 -5.475 4.204 6.139 1.00 0.00 P ATOM 130 OP1 DG A 5 -4.746 4.690 7.326 1.00 0.00 O ATOM 131 OP2 DG A 5 -6.947 4.297 6.211 1.00 0.00 O ATOM 132 O5' DG A 5 -4.965 5.070 4.893 1.00 0.00 O ATOM 133 C5' DG A 5 -5.746 5.408 3.743 1.00 0.00 C ATOM 134 C4' DG A 5 -4.865 6.203 2.759 1.00 0.00 C ATOM 135 O4' DG A 5 -3.589 5.580 2.685 1.00 0.00 O ATOM 136 C3' DG A 5 -5.375 6.308 1.310 1.00 0.00 C ATOM 137 O3' DG A 5 -4.986 7.596 0.837 1.00 0.00 O ATOM 138 C2' DG A 5 -4.685 5.089 0.706 1.00 0.00 C ATOM 139 C1' DG A 5 -3.321 5.101 1.378 1.00 0.00 C ATOM 140 N9 DG A 5 -2.602 3.801 1.495 1.00 0.00 N ATOM 141 C8 DG A 5 -1.577 3.578 2.376 1.00 0.00 C ATOM 142 N7 DG A 5 -1.250 2.327 2.548 1.00 0.00 N ATOM 143 C5 DG A 5 -2.136 1.653 1.704 1.00 0.00 C ATOM 144 C6 DG A 5 -2.283 0.246 1.442 1.00 0.00 C ATOM 145 O6 DG A 5 -1.635 -0.688 1.928 1.00 0.00 O ATOM 146 N1 DG A 5 -3.285 -0.026 0.530 1.00 0.00 N ATOM 147 C2 DG A 5 -4.050 0.922 -0.059 1.00 0.00 C ATOM 148 N2 DG A 5 -4.960 0.535 -0.902 1.00 0.00 N ATOM 149 N3 DG A 5 -3.953 2.230 0.152 1.00 0.00 N ATOM 150 C4 DG A 5 -2.969 2.542 1.053 1.00 0.00 C ATOM 0 H5' DG A 5 -6.613 6.000 4.036 1.00 0.00 H new ATOM 0 H5'' DG A 5 -6.124 4.504 3.265 1.00 0.00 H new ATOM 0 H4' DG A 5 -4.859 7.215 3.164 1.00 0.00 H new ATOM 0 H3' DG A 5 -6.443 6.272 1.094 1.00 0.00 H new ATOM 0 H2' DG A 5 -5.231 4.170 0.918 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.602 5.168 -0.378 1.00 0.00 H new ATOM 0 H1' DG A 5 -2.653 5.701 0.760 1.00 0.00 H new ATOM 0 H8 DG A 5 -1.074 4.382 2.892 1.00 0.00 H new ATOM 0 H1 DG A 5 -3.459 -1.001 0.286 1.00 0.00 H new ATOM 0 H21 DG A 5 -5.554 1.224 -1.364 1.00 0.00 H new ATOM 0 H22 DG A 5 -5.081 -0.458 -1.102 1.00 0.00 H new ATOM 162 P DG A 6 -4.743 8.002 -0.691 1.00 0.00 P ATOM 163 OP1 DG A 6 -4.972 9.464 -0.782 1.00 0.00 O ATOM 164 OP2 DG A 6 -5.535 7.130 -1.584 1.00 0.00 O ATOM 165 O5' DG A 6 -3.165 7.711 -0.857 1.00 0.00 O ATOM 166 C5' DG A 6 -2.221 8.341 0.014 1.00 0.00 C ATOM 167 C4' DG A 6 -0.773 7.830 -0.102 1.00 0.00 C ATOM 168 O4' DG A 6 -0.684 6.443 0.197 1.00 0.00 O ATOM 169 C3' DG A 6 -0.108 8.053 -1.474 1.00 0.00 C ATOM 170 O3' DG A 6 1.081 8.856 -1.526 1.00 0.00 O ATOM 171 C2' DG A 6 0.093 6.644 -2.017 1.00 0.00 C ATOM 172 C1' DG A 6 0.135 5.787 -0.751 1.00 0.00 C ATOM 173 N9 DG A 6 -0.315 4.383 -0.956 1.00 0.00 N ATOM 174 C8 DG A 6 -1.362 3.892 -1.706 1.00 0.00 C ATOM 175 N7 DG A 6 -1.383 2.584 -1.834 1.00 0.00 N ATOM 176 C5 DG A 6 -0.250 2.192 -1.103 1.00 0.00 C ATOM 177 C6 DG A 6 0.313 0.901 -0.838 1.00 0.00 C ATOM 178 O6 DG A 6 -0.091 -0.190 -1.205 1.00 0.00 O ATOM 179 N1 DG A 6 1.453 0.921 -0.073 1.00 0.00 N ATOM 180 C2 DG A 6 2.011 2.057 0.402 1.00 0.00 C ATOM 181 N2 DG A 6 3.094 1.959 1.119 1.00 0.00 N ATOM 182 N3 DG A 6 1.533 3.277 0.192 1.00 0.00 N ATOM 183 C4 DG A 6 0.400 3.280 -0.570 1.00 0.00 C ATOM 0 H5' DG A 6 -2.555 8.206 1.043 1.00 0.00 H new ATOM 0 H5'' DG A 6 -2.227 9.413 -0.185 1.00 0.00 H new ATOM 0 H4' DG A 6 -0.234 8.433 0.629 1.00 0.00 H new ATOM 0 H3' DG A 6 -0.757 8.680 -2.085 1.00 0.00 H new ATOM 0 H2' DG A 6 -0.721 6.347 -2.678 1.00 0.00 H new ATOM 0 H2'' DG A 6 1.016 6.561 -2.591 1.00 0.00 H new ATOM 0 H1' DG A 6 1.168 5.695 -0.416 1.00 0.00 H new ATOM 0 H8 DG A 6 -2.107 4.532 -2.154 1.00 0.00 H new ATOM 0 H1 DG A 6 1.902 0.032 0.148 1.00 0.00 H new ATOM 0 H21 DG A 6 3.537 2.799 1.491 1.00 0.00 H new ATOM 0 H22 DG A 6 3.499 1.042 1.309 1.00 0.00 H new ATOM 195 P DT A 7 2.400 8.733 -0.599 1.00 0.00 P ATOM 196 OP1 DT A 7 2.003 8.914 0.816 1.00 0.00 O ATOM 197 OP2 DT A 7 3.385 9.698 -1.130 1.00 0.00 O ATOM 198 O5' DT A 7 3.070 7.290 -0.758 1.00 0.00 O ATOM 199 C5' DT A 7 3.945 6.798 0.253 1.00 0.00 C ATOM 200 C4' DT A 7 4.927 5.722 -0.233 1.00 0.00 C ATOM 201 O4' DT A 7 4.248 4.515 -0.556 1.00 0.00 O ATOM 202 C3' DT A 7 5.766 6.145 -1.450 1.00 0.00 C ATOM 203 O3' DT A 7 7.147 5.903 -1.167 1.00 0.00 O ATOM 204 C2' DT A 7 5.175 5.274 -2.558 1.00 0.00 C ATOM 205 C1' DT A 7 4.748 4.027 -1.787 1.00 0.00 C ATOM 206 N1 DT A 7 3.755 3.161 -2.489 1.00 0.00 N ATOM 207 C2 DT A 7 3.972 1.776 -2.465 1.00 0.00 C ATOM 208 O2 DT A 7 4.903 1.235 -1.879 1.00 0.00 O ATOM 209 N3 DT A 7 3.074 0.992 -3.149 1.00 0.00 N ATOM 210 C4 DT A 7 2.016 1.446 -3.902 1.00 0.00 C ATOM 211 O4 DT A 7 1.353 0.631 -4.538 1.00 0.00 O ATOM 212 C5 DT A 7 1.817 2.894 -3.860 1.00 0.00 C ATOM 213 C7 DT A 7 0.637 3.525 -4.581 1.00 0.00 C ATOM 214 C6 DT A 7 2.668 3.692 -3.159 1.00 0.00 C ATOM 0 H5' DT A 7 3.347 6.387 1.067 1.00 0.00 H new ATOM 0 H5'' DT A 7 4.513 7.633 0.664 1.00 0.00 H new ATOM 0 H4' DT A 7 5.608 5.571 0.604 1.00 0.00 H new ATOM 0 H3' DT A 7 5.732 7.199 -1.725 1.00 0.00 H new ATOM 0 H2' DT A 7 4.332 5.758 -3.051 1.00 0.00 H new ATOM 0 H2'' DT A 7 5.908 5.045 -3.331 1.00 0.00 H new ATOM 0 H1' DT A 7 5.599 3.357 -1.666 1.00 0.00 H new ATOM 0 H3 DT A 7 3.204 -0.018 -3.093 1.00 0.00 H new ATOM 0 H71 DT A 7 0.330 4.429 -4.055 1.00 0.00 H new ATOM 0 H72 DT A 7 0.927 3.779 -5.600 1.00 0.00 H new ATOM 0 H73 DT A 7 -0.194 2.820 -4.605 1.00 0.00 H new ATOM 0 H6 DT A 7 2.492 4.757 -3.125 1.00 0.00 H new ATOM 227 P DG A 8 8.332 6.285 -2.178 1.00 0.00 P ATOM 228 OP1 DG A 8 9.629 6.275 -1.463 1.00 0.00 O ATOM 229 OP2 DG A 8 7.951 7.524 -2.890 1.00 0.00 O ATOM 230 O5' DG A 8 8.328 5.059 -3.196 1.00 0.00 O ATOM 231 C5' DG A 8 8.505 3.729 -2.720 1.00 0.00 C ATOM 232 C4' DG A 8 8.447 2.638 -3.800 1.00 0.00 C ATOM 233 O4' DG A 8 7.099 2.334 -4.161 1.00 0.00 O ATOM 234 C3' DG A 8 9.197 2.996 -5.098 1.00 0.00 C ATOM 235 O3' DG A 8 9.703 1.878 -5.839 1.00 0.00 O ATOM 236 C2' DG A 8 8.063 3.586 -5.919 1.00 0.00 C ATOM 237 C1' DG A 8 6.947 2.601 -5.551 1.00 0.00 C ATOM 238 N9 DG A 8 5.603 3.085 -5.956 1.00 0.00 N ATOM 239 C8 DG A 8 5.168 4.380 -6.108 1.00 0.00 C ATOM 240 N7 DG A 8 4.025 4.500 -6.730 1.00 0.00 N ATOM 241 C5 DG A 8 3.643 3.171 -6.965 1.00 0.00 C ATOM 242 C6 DG A 8 2.476 2.606 -7.593 1.00 0.00 C ATOM 243 O6 DG A 8 1.554 3.170 -8.185 1.00 0.00 O ATOM 244 N1 DG A 8 2.401 1.232 -7.491 1.00 0.00 N ATOM 245 C2 DG A 8 3.387 0.474 -6.947 1.00 0.00 C ATOM 246 N2 DG A 8 3.176 -0.807 -6.812 1.00 0.00 N ATOM 247 N3 DG A 8 4.527 0.937 -6.454 1.00 0.00 N ATOM 248 C4 DG A 8 4.585 2.302 -6.455 1.00 0.00 C ATOM 0 H5' DG A 8 7.738 3.521 -1.974 1.00 0.00 H new ATOM 0 H5'' DG A 8 9.468 3.666 -2.213 1.00 0.00 H new ATOM 0 H4' DG A 8 8.939 1.781 -3.340 1.00 0.00 H new ATOM 0 H3' DG A 8 10.069 3.614 -4.885 1.00 0.00 H new ATOM 0 H2' DG A 8 7.828 4.611 -5.633 1.00 0.00 H new ATOM 0 H2'' DG A 8 8.279 3.594 -6.987 1.00 0.00 H new ATOM 0 H1' DG A 8 7.031 1.667 -6.106 1.00 0.00 H new ATOM 0 H8 DG A 8 5.726 5.230 -5.743 1.00 0.00 H new ATOM 0 H1 DG A 8 1.565 0.764 -7.841 1.00 0.00 H new ATOM 0 H21 DG A 8 3.898 -1.403 -6.407 1.00 0.00 H new ATOM 0 H22 DG A 8 2.289 -1.212 -7.112 1.00 0.00 H new ATOM 260 P DT A 9 10.738 0.800 -5.245 1.00 0.00 P ATOM 261 OP1 DT A 9 11.269 1.287 -3.958 1.00 0.00 O ATOM 262 OP2 DT A 9 11.713 0.502 -6.317 1.00 0.00 O ATOM 263 O5' DT A 9 9.882 -0.534 -5.018 1.00 0.00 O ATOM 264 C5' DT A 9 9.111 -0.767 -3.845 1.00 0.00 C ATOM 265 C4' DT A 9 8.477 -2.166 -3.788 1.00 0.00 C ATOM 266 O4' DT A 9 7.292 -2.176 -4.578 1.00 0.00 O ATOM 267 C3' DT A 9 9.379 -3.292 -4.311 1.00 0.00 C ATOM 268 O3' DT A 9 9.137 -4.515 -3.630 1.00 0.00 O ATOM 269 C2' DT A 9 8.923 -3.442 -5.755 1.00 0.00 C ATOM 270 C1' DT A 9 7.443 -3.064 -5.671 1.00 0.00 C ATOM 271 N1 DT A 9 6.943 -2.407 -6.909 1.00 0.00 N ATOM 272 C2 DT A 9 5.981 -3.067 -7.684 1.00 0.00 C ATOM 273 O2 DT A 9 5.523 -4.181 -7.416 1.00 0.00 O ATOM 274 N3 DT A 9 5.535 -2.412 -8.809 1.00 0.00 N ATOM 275 C4 DT A 9 5.948 -1.168 -9.235 1.00 0.00 C ATOM 276 O4 DT A 9 5.452 -0.716 -10.260 1.00 0.00 O ATOM 277 C5 DT A 9 6.961 -0.535 -8.390 1.00 0.00 C ATOM 278 C7 DT A 9 7.523 0.831 -8.739 1.00 0.00 C ATOM 279 C6 DT A 9 7.416 -1.164 -7.275 1.00 0.00 C ATOM 0 H5' DT A 9 8.322 -0.018 -3.785 1.00 0.00 H new ATOM 0 H5'' DT A 9 9.747 -0.630 -2.970 1.00 0.00 H new ATOM 0 H4' DT A 9 8.287 -2.358 -2.732 1.00 0.00 H new ATOM 0 H3' DT A 9 10.438 -3.066 -4.182 1.00 0.00 H new ATOM 0 H2' DT A 9 9.474 -2.783 -6.426 1.00 0.00 H new ATOM 0 H2'' DT A 9 9.063 -4.459 -6.122 1.00 0.00 H new ATOM 0 H1' DT A 9 6.860 -3.976 -5.543 1.00 0.00 H new ATOM 0 H3 DT A 9 4.836 -2.890 -9.378 1.00 0.00 H new ATOM 0 H71 DT A 9 7.507 0.965 -9.821 1.00 0.00 H new ATOM 0 H72 DT A 9 6.917 1.605 -8.268 1.00 0.00 H new ATOM 0 H73 DT A 9 8.549 0.905 -8.379 1.00 0.00 H new ATOM 0 H6 DT A 9 8.163 -0.681 -6.663 1.00 0.00 H new ATOM 292 P DG A 10 10.112 -5.026 -2.479 1.00 0.00 P ATOM 293 OP1 DG A 10 11.494 -4.958 -2.995 1.00 0.00 O ATOM 294 OP2 DG A 10 9.592 -6.332 -2.033 1.00 0.00 O ATOM 295 O5' DG A 10 9.962 -4.036 -1.237 1.00 0.00 O ATOM 296 C5' DG A 10 10.865 -2.961 -1.012 1.00 0.00 C ATOM 297 C4' DG A 10 10.495 -2.141 0.235 1.00 0.00 C ATOM 298 O4' DG A 10 9.319 -1.374 0.004 1.00 0.00 O ATOM 299 C3' DG A 10 10.251 -2.996 1.496 1.00 0.00 C ATOM 300 O3' DG A 10 10.844 -2.362 2.625 1.00 0.00 O ATOM 301 C2' DG A 10 8.727 -2.984 1.562 1.00 0.00 C ATOM 302 C1' DG A 10 8.462 -1.553 1.116 1.00 0.00 C ATOM 303 N9 DG A 10 7.039 -1.264 0.835 1.00 0.00 N ATOM 304 C8 DG A 10 6.245 -0.348 1.478 1.00 0.00 C ATOM 305 N7 DG A 10 5.002 -0.334 1.083 1.00 0.00 N ATOM 306 C5 DG A 10 4.971 -1.327 0.094 1.00 0.00 C ATOM 307 C6 DG A 10 3.903 -1.809 -0.735 1.00 0.00 C ATOM 308 O6 DG A 10 2.732 -1.455 -0.771 1.00 0.00 O ATOM 309 N1 DG A 10 4.269 -2.815 -1.605 1.00 0.00 N ATOM 310 C2 DG A 10 5.527 -3.311 -1.680 1.00 0.00 C ATOM 311 N2 DG A 10 5.766 -4.265 -2.544 1.00 0.00 N ATOM 312 N3 DG A 10 6.548 -2.902 -0.941 1.00 0.00 N ATOM 313 C4 DG A 10 6.213 -1.903 -0.065 1.00 0.00 C ATOM 0 H5' DG A 10 10.874 -2.308 -1.885 1.00 0.00 H new ATOM 0 H5'' DG A 10 11.875 -3.355 -0.899 1.00 0.00 H new ATOM 0 H4' DG A 10 11.360 -1.503 0.416 1.00 0.00 H new ATOM 0 H3' DG A 10 10.674 -4.000 1.477 1.00 0.00 H new ATOM 0 H2' DG A 10 8.274 -3.720 0.897 1.00 0.00 H new ATOM 0 H2'' DG A 10 8.350 -3.186 2.565 1.00 0.00 H new ATOM 0 H1' DG A 10 8.674 -0.835 1.909 1.00 0.00 H new ATOM 0 H8 DG A 10 6.619 0.309 2.249 1.00 0.00 H new ATOM 0 H1 DG A 10 3.557 -3.205 -2.223 1.00 0.00 H new ATOM 0 H21 DG A 10 6.704 -4.658 -2.623 1.00 0.00 H new ATOM 0 H22 DG A 10 5.014 -4.615 -3.138 1.00 0.00 H new ATOM 325 P DG A 11 10.745 -2.964 4.109 1.00 0.00 P ATOM 326 OP1 DG A 11 11.795 -2.319 4.922 1.00 0.00 O ATOM 327 OP2 DG A 11 10.713 -4.441 4.031 1.00 0.00 O ATOM 328 O5' DG A 11 9.316 -2.487 4.653 1.00 0.00 O ATOM 329 C5' DG A 11 9.129 -1.221 5.266 1.00 0.00 C ATOM 330 C4' DG A 11 7.691 -1.009 5.767 1.00 0.00 C ATOM 331 O4' DG A 11 6.752 -0.846 4.710 1.00 0.00 O ATOM 332 C3' DG A 11 7.158 -2.176 6.605 1.00 0.00 C ATOM 333 O3' DG A 11 7.601 -2.195 7.959 1.00 0.00 O ATOM 334 C2' DG A 11 5.658 -1.903 6.541 1.00 0.00 C ATOM 335 C1' DG A 11 5.454 -1.167 5.204 1.00 0.00 C ATOM 336 N9 DG A 11 4.706 -1.997 4.225 1.00 0.00 N ATOM 337 C8 DG A 11 5.016 -3.254 3.766 1.00 0.00 C ATOM 338 N7 DG A 11 4.086 -3.801 3.031 1.00 0.00 N ATOM 339 C5 DG A 11 3.071 -2.837 2.995 1.00 0.00 C ATOM 340 C6 DG A 11 1.780 -2.836 2.351 1.00 0.00 C ATOM 341 O6 DG A 11 1.264 -3.718 1.665 1.00 0.00 O ATOM 342 N1 DG A 11 1.056 -1.677 2.558 1.00 0.00 N ATOM 343 C2 DG A 11 1.517 -0.640 3.296 1.00 0.00 C ATOM 344 N2 DG A 11 0.727 0.390 3.407 1.00 0.00 N ATOM 345 N3 DG A 11 2.701 -0.589 3.911 1.00 0.00 N ATOM 346 C4 DG A 11 3.442 -1.727 3.724 1.00 0.00 C ATOM 0 H5' DG A 11 9.380 -0.436 4.552 1.00 0.00 H new ATOM 0 H5'' DG A 11 9.819 -1.122 6.104 1.00 0.00 H new ATOM 0 H4' DG A 11 7.774 -0.104 6.369 1.00 0.00 H new ATOM 0 H3' DG A 11 7.496 -3.142 6.228 1.00 0.00 H new ATOM 0 H2' DG A 11 5.085 -2.829 6.575 1.00 0.00 H new ATOM 0 H2'' DG A 11 5.330 -1.294 7.383 1.00 0.00 H new ATOM 0 HO3' DG A 11 7.213 -2.969 8.419 1.00 0.00 H new ATOM 0 H1' DG A 11 4.856 -0.268 5.356 1.00 0.00 H new ATOM 0 H8 DG A 11 5.949 -3.748 3.994 1.00 0.00 H new ATOM 0 H1 DG A 11 0.131 -1.599 2.135 1.00 0.00 H new ATOM 0 H21 DG A 11 1.020 1.201 3.951 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.185 0.385 2.950 1.00 0.00 H new TER 359 DG A 11