USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 160 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 62:sc= 1.33 USER MOD Single : A 7 DT C7 :methyl -30:sc=-0.00306 (180deg=-0.00955) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 62:sc= 1.41 USER MOD Single : B 7 DT C7 :methyl -30:sc= -0.0209 (180deg=-0.032) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.164 3.142 0.485 1.00 0.42 O ATOM 2 C5' DG A 1 -8.211 2.024 1.400 1.00 0.41 C ATOM 3 C4' DG A 1 -6.780 1.569 1.933 1.00 0.34 C ATOM 4 O4' DG A 1 -5.931 1.022 0.902 1.00 0.30 O ATOM 5 C3' DG A 1 -5.844 2.526 2.692 1.00 0.33 C ATOM 6 O3' DG A 1 -5.020 1.831 3.644 1.00 0.35 O ATOM 7 C2' DG A 1 -4.949 3.035 1.552 1.00 0.28 C ATOM 8 C1' DG A 1 -4.665 1.707 0.840 1.00 0.24 C ATOM 9 N9 DG A 1 -4.391 1.727 -0.620 1.00 0.20 N ATOM 10 C8 DG A 1 -3.419 1.073 -1.336 1.00 0.22 C ATOM 11 N7 DG A 1 -3.473 1.292 -2.621 1.00 0.28 N ATOM 12 C5 DG A 1 -4.549 2.143 -2.780 1.00 0.27 C ATOM 13 C6 DG A 1 -5.092 2.723 -3.958 1.00 0.35 C ATOM 14 O6 DG A 1 -4.710 2.579 -5.115 1.00 0.43 O ATOM 15 N1 DG A 1 -6.180 3.532 -3.675 1.00 0.37 N ATOM 16 C2 DG A 1 -6.682 3.745 -2.416 1.00 0.35 C ATOM 17 N2 DG A 1 -7.734 4.531 -2.284 1.00 0.44 N ATOM 18 N3 DG A 1 -6.175 3.202 -1.317 1.00 0.30 N ATOM 19 C4 DG A 1 -5.114 2.415 -1.566 1.00 0.24 C ATOM 0 H5' DG A 1 -8.689 1.180 0.903 1.00 0.41 H new ATOM 0 H5'' DG A 1 -8.838 2.289 2.251 1.00 0.41 H new ATOM 0 H4' DG A 1 -7.175 0.869 2.669 1.00 0.34 H new ATOM 0 H3' DG A 1 -6.383 3.287 3.256 1.00 0.33 H new ATOM 0 H2' DG A 1 -5.457 3.754 0.910 1.00 0.28 H new ATOM 0 H2'' DG A 1 -4.042 3.518 1.915 1.00 0.28 H new ATOM 0 HO5' DG A 1 -7.648 2.892 -0.310 1.00 0.42 H new ATOM 0 H1' DG A 1 -3.776 1.299 1.321 1.00 0.24 H new ATOM 0 H8 DG A 1 -2.678 0.436 -0.877 1.00 0.22 H new ATOM 0 H1 DG A 1 -6.639 4.001 -4.456 1.00 0.37 H new ATOM 0 H21 DG A 1 -8.127 4.706 -1.359 1.00 0.44 H new ATOM 0 H22 DG A 1 -8.154 4.963 -3.107 1.00 0.44 H new ATOM 32 P DG A 2 -4.536 2.492 5.030 1.00 0.37 P ATOM 33 OP1 DG A 2 -3.891 1.410 5.813 1.00 0.53 O ATOM 34 OP2 DG A 2 -5.671 3.244 5.622 1.00 0.50 O ATOM 35 O5' DG A 2 -3.389 3.542 4.561 1.00 0.35 O ATOM 36 C5' DG A 2 -2.013 3.116 4.436 1.00 0.35 C ATOM 37 C4' DG A 2 -1.158 3.854 3.301 1.00 0.38 C ATOM 38 O4' DG A 2 -1.721 3.733 1.955 1.00 0.37 O ATOM 39 C3' DG A 2 -0.927 5.395 3.444 1.00 0.37 C ATOM 40 O3' DG A 2 0.248 6.095 2.969 1.00 0.36 O ATOM 41 C2' DG A 2 -1.967 5.910 2.474 1.00 0.40 C ATOM 42 C1' DG A 2 -1.590 5.007 1.287 1.00 0.36 C ATOM 43 N9 DG A 2 -2.472 5.243 0.106 1.00 0.33 N ATOM 44 C8 DG A 2 -3.731 5.814 0.089 1.00 0.36 C ATOM 45 N7 DG A 2 -4.265 5.891 -1.081 1.00 0.35 N ATOM 46 C5 DG A 2 -3.319 5.344 -1.926 1.00 0.32 C ATOM 47 C6 DG A 2 -3.381 5.177 -3.328 1.00 0.35 C ATOM 48 O6 DG A 2 -4.267 5.494 -4.117 1.00 0.42 O ATOM 49 N1 DG A 2 -2.238 4.592 -3.799 1.00 0.34 N ATOM 50 C2 DG A 2 -1.161 4.214 -3.049 1.00 0.31 C ATOM 51 N2 DG A 2 -0.163 3.717 -3.757 1.00 0.35 N ATOM 52 N3 DG A 2 -1.077 4.357 -1.726 1.00 0.29 N ATOM 53 C4 DG A 2 -2.204 4.936 -1.223 1.00 0.30 C ATOM 0 H5' DG A 2 -2.000 2.045 4.236 1.00 0.35 H new ATOM 0 H5'' DG A 2 -1.517 3.267 5.395 1.00 0.35 H new ATOM 0 H4' DG A 2 -0.220 3.317 3.446 1.00 0.38 H new ATOM 0 H3' DG A 2 -0.903 5.558 4.521 1.00 0.37 H new ATOM 0 H2' DG A 2 -2.989 5.757 2.821 1.00 0.40 H new ATOM 0 H2'' DG A 2 -1.860 6.972 2.255 1.00 0.40 H new ATOM 0 H1' DG A 2 -0.615 5.151 0.821 1.00 0.36 H new ATOM 0 H8 DG A 2 -4.226 6.166 0.982 1.00 0.36 H new ATOM 0 H1 DG A 2 -2.185 4.422 -4.803 1.00 0.34 H new ATOM 0 H21 DG A 2 0.688 3.405 -3.290 1.00 0.35 H new ATOM 0 H22 DG A 2 -0.244 3.645 -4.771 1.00 0.35 H new ATOM 65 P DA A 3 0.603 7.591 3.516 1.00 0.35 P ATOM 66 OP1 DA A 3 -0.347 7.944 4.597 1.00 0.43 O ATOM 67 OP2 DA A 3 0.760 8.477 2.336 1.00 0.57 O ATOM 68 O5' DA A 3 2.060 7.280 4.146 1.00 0.48 O ATOM 69 C5' DA A 3 2.279 6.061 4.884 1.00 0.43 C ATOM 70 C4' DA A 3 3.391 5.146 4.220 1.00 0.42 C ATOM 71 O4' DA A 3 3.011 4.865 2.849 1.00 0.40 O ATOM 72 C3' DA A 3 4.881 5.594 4.101 1.00 0.47 C ATOM 73 O3' DA A 3 5.881 4.561 3.947 1.00 0.59 O ATOM 74 C2' DA A 3 4.858 6.265 2.739 1.00 0.40 C ATOM 75 C1' DA A 3 4.071 5.223 1.942 1.00 0.36 C ATOM 76 N9 DA A 3 3.510 5.837 0.722 1.00 0.31 N ATOM 77 C8 DA A 3 2.393 6.603 0.584 1.00 0.32 C ATOM 78 N7 DA A 3 2.179 7.038 -0.628 1.00 0.30 N ATOM 79 C5 DA A 3 3.244 6.511 -1.346 1.00 0.27 C ATOM 80 C6 DA A 3 3.620 6.592 -2.694 1.00 0.29 C ATOM 81 N6 DA A 3 2.939 7.247 -3.619 1.00 0.34 N ATOM 82 N1 DA A 3 4.728 5.953 -3.057 1.00 0.30 N ATOM 83 C2 DA A 3 5.417 5.277 -2.152 1.00 0.29 C ATOM 84 N3 DA A 3 5.174 5.123 -0.861 1.00 0.29 N ATOM 85 C4 DA A 3 4.053 5.779 -0.524 1.00 0.27 C ATOM 0 H5' DA A 3 1.344 5.504 4.947 1.00 0.43 H new ATOM 0 H5'' DA A 3 2.574 6.305 5.904 1.00 0.43 H new ATOM 0 H4' DA A 3 3.401 4.336 4.949 1.00 0.42 H new ATOM 0 H3' DA A 3 5.152 6.140 5.005 1.00 0.47 H new ATOM 0 H2' DA A 3 4.361 7.235 2.761 1.00 0.40 H new ATOM 0 H2'' DA A 3 5.858 6.428 2.338 1.00 0.40 H new ATOM 0 H1' DA A 3 4.673 4.374 1.617 1.00 0.36 H new ATOM 0 H8 DA A 3 1.737 6.832 1.411 1.00 0.32 H new ATOM 0 H61 DA A 3 3.273 7.263 -4.583 1.00 0.34 H new ATOM 0 H62 DA A 3 2.080 7.736 -3.369 1.00 0.34 H new ATOM 0 H2 DA A 3 6.303 4.781 -2.519 1.00 0.29 H new ATOM 97 P DG A 4 6.941 4.108 5.085 1.00 0.54 P ATOM 98 OP1 DG A 4 7.272 5.304 5.900 1.00 0.69 O ATOM 99 OP2 DG A 4 8.034 3.359 4.417 1.00 0.77 O ATOM 100 O5' DG A 4 6.070 3.063 5.988 1.00 0.58 O ATOM 101 C5' DG A 4 5.370 3.448 7.192 1.00 0.46 C ATOM 102 C4' DG A 4 4.262 2.494 7.692 1.00 0.39 C ATOM 103 O4' DG A 4 3.121 2.386 6.810 1.00 0.38 O ATOM 104 C3' DG A 4 4.614 1.062 8.079 1.00 0.37 C ATOM 105 O3' DG A 4 3.869 0.585 9.224 1.00 0.39 O ATOM 106 C2' DG A 4 4.181 0.392 6.772 1.00 0.34 C ATOM 107 C1' DG A 4 2.774 1.001 6.621 1.00 0.33 C ATOM 108 N9 DG A 4 2.167 0.872 5.267 1.00 0.35 N ATOM 109 C8 DG A 4 2.697 1.296 4.075 1.00 0.41 C ATOM 110 N7 DG A 4 1.957 1.058 3.032 1.00 0.45 N ATOM 111 C5 DG A 4 0.843 0.424 3.569 1.00 0.40 C ATOM 112 C6 DG A 4 -0.308 -0.070 2.911 1.00 0.43 C ATOM 113 O6 DG A 4 -0.570 -0.045 1.713 1.00 0.51 O ATOM 114 N1 DG A 4 -1.191 -0.630 3.796 1.00 0.41 N ATOM 115 C2 DG A 4 -1.014 -0.714 5.143 1.00 0.40 C ATOM 116 N2 DG A 4 -2.012 -1.278 5.800 1.00 0.48 N ATOM 117 N3 DG A 4 0.057 -0.263 5.792 1.00 0.36 N ATOM 118 C4 DG A 4 0.953 0.302 4.935 1.00 0.35 C ATOM 0 H5' DG A 4 4.924 4.429 7.026 1.00 0.46 H new ATOM 0 H5'' DG A 4 6.104 3.563 7.989 1.00 0.46 H new ATOM 0 H4' DG A 4 4.046 3.032 8.615 1.00 0.39 H new ATOM 0 H3' DG A 4 5.643 0.890 8.395 1.00 0.37 H new ATOM 0 H2' DG A 4 4.836 0.642 5.937 1.00 0.34 H new ATOM 0 H2'' DG A 4 4.160 -0.695 6.847 1.00 0.34 H new ATOM 0 H1' DG A 4 2.046 0.533 7.284 1.00 0.33 H new ATOM 0 H8 DG A 4 3.655 1.790 4.008 1.00 0.41 H new ATOM 0 H1 DG A 4 -2.054 -1.017 3.413 1.00 0.41 H new ATOM 0 H21 DG A 4 -1.962 -1.381 6.814 1.00 0.48 H new ATOM 0 H22 DG A 4 -2.833 -1.610 5.294 1.00 0.48 H new ATOM 130 P DG A 5 4.451 -0.563 10.201 1.00 0.43 P ATOM 131 OP1 DG A 5 3.675 -0.570 11.464 1.00 0.60 O ATOM 132 OP2 DG A 5 5.927 -0.415 10.241 1.00 0.50 O ATOM 133 O5' DG A 5 4.077 -1.883 9.331 1.00 0.42 O ATOM 134 C5' DG A 5 2.709 -2.314 9.117 1.00 0.39 C ATOM 135 C4' DG A 5 2.541 -3.354 7.944 1.00 0.36 C ATOM 136 O4' DG A 5 2.898 -2.734 6.665 1.00 0.34 O ATOM 137 C3' DG A 5 3.416 -4.635 7.998 1.00 0.37 C ATOM 138 O3' DG A 5 2.873 -5.972 8.217 1.00 0.43 O ATOM 139 C2' DG A 5 4.295 -4.503 6.724 1.00 0.33 C ATOM 140 C1' DG A 5 3.447 -3.691 5.725 1.00 0.30 C ATOM 141 N9 DG A 5 4.231 -3.041 4.602 1.00 0.27 N ATOM 142 C8 DG A 5 5.555 -2.648 4.593 1.00 0.29 C ATOM 143 N7 DG A 5 5.964 -2.107 3.486 1.00 0.30 N ATOM 144 C5 DG A 5 4.849 -2.130 2.664 1.00 0.27 C ATOM 145 C6 DG A 5 4.716 -1.668 1.318 1.00 0.31 C ATOM 146 O6 DG A 5 5.547 -1.147 0.580 1.00 0.37 O ATOM 147 N1 DG A 5 3.442 -1.874 0.851 1.00 0.31 N ATOM 148 C2 DG A 5 2.440 -2.443 1.578 1.00 0.28 C ATOM 149 N2 DG A 5 1.303 -2.571 0.946 1.00 0.30 N ATOM 150 N3 DG A 5 2.529 -2.884 2.833 1.00 0.26 N ATOM 151 C4 DG A 5 3.777 -2.696 3.324 1.00 0.25 C ATOM 0 H5' DG A 5 2.092 -1.440 8.905 1.00 0.39 H new ATOM 0 H5'' DG A 5 2.330 -2.756 10.038 1.00 0.39 H new ATOM 0 H4' DG A 5 1.497 -3.648 8.051 1.00 0.36 H new ATOM 0 H3' DG A 5 3.922 -4.627 8.963 1.00 0.37 H new ATOM 0 H2' DG A 5 5.234 -3.996 6.945 1.00 0.33 H new ATOM 0 H2'' DG A 5 4.549 -5.482 6.319 1.00 0.33 H new ATOM 0 H1' DG A 5 2.731 -4.276 5.147 1.00 0.30 H new ATOM 0 H8 DG A 5 6.204 -2.781 5.446 1.00 0.29 H new ATOM 0 H1 DG A 5 3.231 -1.582 -0.103 1.00 0.31 H new ATOM 0 H21 DG A 5 0.501 -2.988 1.419 1.00 0.30 H new ATOM 0 H22 DG A 5 1.218 -2.254 -0.020 1.00 0.30 H new ATOM 163 P DA A 6 1.536 -6.638 7.582 1.00 0.45 P ATOM 164 OP1 DA A 6 1.979 -7.722 6.668 1.00 0.69 O ATOM 165 OP2 DA A 6 0.759 -5.505 7.027 1.00 0.46 O ATOM 166 O5' DA A 6 0.725 -7.267 8.822 1.00 0.51 O ATOM 167 C5' DA A 6 -0.555 -6.781 9.268 1.00 0.48 C ATOM 168 C4' DA A 6 -1.735 -7.109 8.278 1.00 0.39 C ATOM 169 O4' DA A 6 -1.673 -6.463 6.984 1.00 0.40 O ATOM 170 C3' DA A 6 -1.765 -8.563 7.848 1.00 0.36 C ATOM 171 O3' DA A 6 -2.002 -9.555 8.857 1.00 0.49 O ATOM 172 C2' DA A 6 -2.753 -8.544 6.679 1.00 0.33 C ATOM 173 C1' DA A 6 -2.286 -7.272 5.946 1.00 0.36 C ATOM 174 N9 DA A 6 -1.400 -7.441 4.754 1.00 0.32 N ATOM 175 C8 DA A 6 -0.081 -7.110 4.606 1.00 0.29 C ATOM 176 N7 DA A 6 0.433 -7.390 3.446 1.00 0.29 N ATOM 177 C5 DA A 6 -0.626 -7.951 2.752 1.00 0.32 C ATOM 178 C6 DA A 6 -0.732 -8.462 1.453 1.00 0.38 C ATOM 179 N6 DA A 6 0.291 -8.494 0.608 1.00 0.39 N ATOM 180 N1 DA A 6 -1.921 -8.940 1.079 1.00 0.44 N ATOM 181 C2 DA A 6 -2.935 -8.913 1.936 1.00 0.44 C ATOM 182 N3 DA A 6 -2.960 -8.465 3.184 1.00 0.40 N ATOM 183 C4 DA A 6 -1.749 -7.987 3.535 1.00 0.33 C ATOM 0 H5' DA A 6 -0.496 -5.701 9.405 1.00 0.48 H new ATOM 0 H5'' DA A 6 -0.779 -7.214 10.243 1.00 0.48 H new ATOM 0 H4' DA A 6 -2.581 -6.776 8.879 1.00 0.39 H new ATOM 0 H3' DA A 6 -0.772 -8.914 7.568 1.00 0.36 H new ATOM 0 H2' DA A 6 -2.676 -9.435 6.056 1.00 0.33 H new ATOM 0 H2'' DA A 6 -3.789 -8.476 7.011 1.00 0.33 H new ATOM 0 H1' DA A 6 -3.150 -6.809 5.469 1.00 0.36 H new ATOM 0 H8 DA A 6 0.492 -6.649 5.397 1.00 0.29 H new ATOM 0 H61 DA A 6 0.166 -8.876 -0.329 1.00 0.39 H new ATOM 0 H62 DA A 6 1.202 -8.137 0.896 1.00 0.39 H new ATOM 0 H2 DA A 6 -3.868 -9.311 1.566 1.00 0.44 H new ATOM 195 P DT A 7 -3.431 -10.167 9.274 1.00 0.43 P ATOM 196 OP1 DT A 7 -4.468 -9.116 9.142 1.00 0.55 O ATOM 197 OP2 DT A 7 -3.264 -10.899 10.550 1.00 0.69 O ATOM 198 O5' DT A 7 -3.584 -11.241 8.069 1.00 0.49 O ATOM 199 C5' DT A 7 -4.806 -11.503 7.360 1.00 0.48 C ATOM 200 C4' DT A 7 -4.581 -12.196 5.998 1.00 0.40 C ATOM 201 O4' DT A 7 -3.760 -11.427 5.102 1.00 0.38 O ATOM 202 C3' DT A 7 -3.979 -13.556 5.981 1.00 0.36 C ATOM 203 O3' DT A 7 -4.956 -14.539 6.244 1.00 0.52 O ATOM 204 C2' DT A 7 -3.300 -13.724 4.602 1.00 0.38 C ATOM 205 C1' DT A 7 -3.140 -12.264 4.090 1.00 0.35 C ATOM 206 N1 DT A 7 -1.729 -11.822 3.941 1.00 0.33 N ATOM 207 C2 DT A 7 -1.208 -11.594 2.667 1.00 0.40 C ATOM 208 O2 DT A 7 -1.847 -11.745 1.633 1.00 0.43 O ATOM 209 N3 DT A 7 0.109 -11.185 2.613 1.00 0.47 N ATOM 210 C4 DT A 7 0.942 -10.989 3.700 1.00 0.49 C ATOM 211 O4 DT A 7 2.098 -10.628 3.511 1.00 0.62 O ATOM 212 C5 DT A 7 0.322 -11.254 4.988 1.00 0.42 C ATOM 213 C7 DT A 7 1.117 -11.104 6.288 1.00 0.44 C ATOM 214 C6 DT A 7 -0.962 -11.647 5.059 1.00 0.35 C ATOM 0 H5' DT A 7 -5.334 -10.563 7.200 1.00 0.48 H new ATOM 0 H5'' DT A 7 -5.450 -12.129 7.977 1.00 0.48 H new ATOM 0 H4' DT A 7 -5.622 -12.283 5.688 1.00 0.40 H new ATOM 0 H3' DT A 7 -3.234 -13.679 6.767 1.00 0.36 H new ATOM 0 H2' DT A 7 -2.336 -14.226 4.689 1.00 0.38 H new ATOM 0 H2'' DT A 7 -3.911 -14.321 3.925 1.00 0.38 H new ATOM 0 HO3' DT A 7 -4.540 -15.426 6.227 1.00 0.52 H new ATOM 0 H1' DT A 7 -3.589 -12.195 3.099 1.00 0.35 H new ATOM 0 H3 DT A 7 0.504 -11.012 1.689 1.00 0.47 H new ATOM 0 H71 DT A 7 2.169 -11.319 6.098 1.00 0.44 H new ATOM 0 H72 DT A 7 1.017 -10.084 6.660 1.00 0.44 H new ATOM 0 H73 DT A 7 0.732 -11.801 7.032 1.00 0.44 H new ATOM 0 H6 DT A 7 -1.401 -11.830 6.029 1.00 0.35 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -7.984 -3.513 -0.406 1.00 0.44 O ATOM 230 C5' DG B 1 -8.061 -2.397 -1.321 1.00 0.43 C ATOM 231 C4' DG B 1 -6.642 -1.871 -1.816 1.00 0.35 C ATOM 232 O4' DG B 1 -5.851 -1.282 -0.762 1.00 0.28 O ATOM 233 C3' DG B 1 -5.637 -2.779 -2.548 1.00 0.35 C ATOM 234 O3' DG B 1 -4.826 -2.042 -3.479 1.00 0.36 O ATOM 235 C2' DG B 1 -4.746 -3.241 -1.383 1.00 0.30 C ATOM 236 C1' DG B 1 -4.553 -1.900 -0.666 1.00 0.23 C ATOM 237 N9 DG B 1 -4.318 -1.907 0.801 1.00 0.20 N ATOM 238 C8 DG B 1 -3.401 -1.204 1.543 1.00 0.22 C ATOM 239 N7 DG B 1 -3.479 -1.426 2.827 1.00 0.27 N ATOM 240 C5 DG B 1 -4.514 -2.333 2.956 1.00 0.26 C ATOM 241 C6 DG B 1 -5.057 -2.941 4.119 1.00 0.34 C ATOM 242 O6 DG B 1 -4.716 -2.779 5.286 1.00 0.43 O ATOM 243 N1 DG B 1 -6.096 -3.803 3.807 1.00 0.38 N ATOM 244 C2 DG B 1 -6.550 -4.043 2.536 1.00 0.36 C ATOM 245 N2 DG B 1 -7.558 -4.880 2.375 1.00 0.47 N ATOM 246 N3 DG B 1 -6.042 -3.473 1.450 1.00 0.31 N ATOM 247 C4 DG B 1 -5.030 -2.633 1.728 1.00 0.24 C ATOM 0 H5' DG B 1 -8.592 -1.578 -0.836 1.00 0.43 H new ATOM 0 H5'' DG B 1 -8.652 -2.691 -2.189 1.00 0.43 H new ATOM 0 H4' DG B 1 -7.052 -1.193 -2.565 1.00 0.35 H new ATOM 0 H3' DG B 1 -6.120 -3.568 -3.124 1.00 0.35 H new ATOM 0 H2' DG B 1 -5.232 -3.986 -0.754 1.00 0.30 H new ATOM 0 H2'' DG B 1 -3.805 -3.674 -1.722 1.00 0.30 H new ATOM 0 HO5' DG B 1 -7.503 -3.240 0.403 1.00 0.44 H new ATOM 0 H1' DG B 1 -3.675 -1.444 -1.124 1.00 0.23 H new ATOM 0 H8 DG B 1 -2.681 -0.529 1.104 1.00 0.22 H new ATOM 0 H1 DG B 1 -6.554 -4.292 4.576 1.00 0.38 H new ATOM 0 H21 DG B 1 -7.914 -5.075 1.439 1.00 0.47 H new ATOM 0 H22 DG B 1 -7.981 -5.331 3.186 1.00 0.47 H new ATOM 260 P DG B 2 -4.271 -2.677 -4.850 1.00 0.37 P ATOM 261 OP1 DG B 2 -3.663 -1.562 -5.618 1.00 0.53 O ATOM 262 OP2 DG B 2 -5.350 -3.486 -5.471 1.00 0.49 O ATOM 263 O5' DG B 2 -3.084 -3.667 -4.350 1.00 0.34 O ATOM 264 C5' DG B 2 -1.735 -3.173 -4.188 1.00 0.34 C ATOM 265 C4' DG B 2 -0.876 -3.871 -3.031 1.00 0.38 C ATOM 266 O4' DG B 2 -1.480 -3.775 -1.701 1.00 0.37 O ATOM 267 C3' DG B 2 -0.569 -5.400 -3.164 1.00 0.37 C ATOM 268 O3' DG B 2 0.632 -6.035 -2.663 1.00 0.34 O ATOM 269 C2' DG B 2 -1.602 -5.962 -2.216 1.00 0.40 C ATOM 270 C1' DG B 2 -1.301 -5.040 -1.026 1.00 0.35 C ATOM 271 N9 DG B 2 -2.202 -5.321 0.131 1.00 0.32 N ATOM 272 C8 DG B 2 -3.428 -5.958 0.113 1.00 0.36 C ATOM 273 N7 DG B 2 -3.992 -6.062 1.267 1.00 0.34 N ATOM 274 C5 DG B 2 -3.098 -5.467 2.138 1.00 0.31 C ATOM 275 C6 DG B 2 -3.206 -5.303 3.539 1.00 0.33 C ATOM 276 O6 DG B 2 -4.099 -5.666 4.304 1.00 0.41 O ATOM 277 N1 DG B 2 -2.109 -4.661 4.036 1.00 0.33 N ATOM 278 C2 DG B 2 -1.034 -4.227 3.319 1.00 0.30 C ATOM 279 N2 DG B 2 -0.080 -3.679 4.053 1.00 0.34 N ATOM 280 N3 DG B 2 -0.906 -4.367 1.999 1.00 0.28 N ATOM 281 C4 DG B 2 -1.988 -5.004 1.466 1.00 0.29 C ATOM 0 H5' DG B 2 -1.781 -2.103 -3.986 1.00 0.34 H new ATOM 0 H5'' DG B 2 -1.206 -3.297 -5.133 1.00 0.34 H new ATOM 0 H4' DG B 2 0.040 -3.293 -3.154 1.00 0.38 H new ATOM 0 H3' DG B 2 -0.518 -5.569 -4.240 1.00 0.37 H new ATOM 0 H2' DG B 2 -2.622 -5.863 -2.587 1.00 0.40 H new ATOM 0 H2'' DG B 2 -1.446 -7.017 -1.990 1.00 0.40 H new ATOM 0 H1' DG B 2 -0.332 -5.131 -0.535 1.00 0.35 H new ATOM 0 H8 DG B 2 -3.877 -6.337 -0.793 1.00 0.36 H new ATOM 0 H1 DG B 2 -2.092 -4.489 5.041 1.00 0.33 H new ATOM 0 H21 DG B 2 0.766 -3.324 3.607 1.00 0.34 H new ATOM 0 H22 DG B 2 -0.190 -3.612 5.065 1.00 0.34 H new ATOM 293 P DA B 3 1.078 -7.510 -3.195 1.00 0.34 P ATOM 294 OP1 DA B 3 0.176 -7.911 -4.301 1.00 0.41 O ATOM 295 OP2 DA B 3 1.246 -8.386 -2.009 1.00 0.60 O ATOM 296 O5' DA B 3 2.536 -7.126 -3.781 1.00 0.47 O ATOM 297 C5' DA B 3 2.718 -5.900 -4.520 1.00 0.44 C ATOM 298 C4' DA B 3 3.759 -4.928 -3.825 1.00 0.41 C ATOM 299 O4' DA B 3 3.327 -4.663 -2.465 1.00 0.42 O ATOM 300 C3' DA B 3 5.265 -5.300 -3.663 1.00 0.46 C ATOM 301 O3' DA B 3 6.205 -4.215 -3.484 1.00 0.59 O ATOM 302 C2' DA B 3 5.235 -5.970 -2.298 1.00 0.40 C ATOM 303 C1' DA B 3 4.377 -4.967 -1.527 1.00 0.37 C ATOM 304 N9 DA B 3 3.814 -5.611 -0.322 1.00 0.32 N ATOM 305 C8 DA B 3 2.735 -6.434 -0.215 1.00 0.33 C ATOM 306 N7 DA B 3 2.510 -6.881 0.991 1.00 0.32 N ATOM 307 C5 DA B 3 3.528 -6.302 1.739 1.00 0.29 C ATOM 308 C6 DA B 3 3.873 -6.367 3.099 1.00 0.30 C ATOM 309 N6 DA B 3 3.201 -7.060 4.004 1.00 0.36 N ATOM 310 N1 DA B 3 4.936 -5.670 3.492 1.00 0.31 N ATOM 311 C2 DA B 3 5.610 -4.959 2.603 1.00 0.29 C ATOM 312 N3 DA B 3 5.395 -4.815 1.307 1.00 0.29 N ATOM 313 C4 DA B 3 4.320 -5.527 0.939 1.00 0.28 C ATOM 0 H5' DA B 3 1.759 -5.392 -4.618 1.00 0.44 H new ATOM 0 H5'' DA B 3 3.059 -6.133 -5.528 1.00 0.44 H new ATOM 0 H4' DA B 3 3.746 -4.118 -4.554 1.00 0.41 H new ATOM 0 H3' DA B 3 5.592 -5.833 -4.556 1.00 0.46 H new ATOM 0 H2' DA B 3 4.786 -6.963 -2.331 1.00 0.40 H new ATOM 0 H2'' DA B 3 6.230 -6.084 -1.868 1.00 0.40 H new ATOM 0 H1' DA B 3 4.925 -4.088 -1.188 1.00 0.37 H new ATOM 0 H8 DA B 3 2.115 -6.696 -1.060 1.00 0.33 H new ATOM 0 H61 DA B 3 3.509 -7.062 4.976 1.00 0.36 H new ATOM 0 H62 DA B 3 2.375 -7.592 3.729 1.00 0.36 H new ATOM 0 H2 DA B 3 6.459 -4.418 2.993 1.00 0.29 H new ATOM 325 P DG B 4 7.271 -3.707 -4.596 1.00 0.55 P ATOM 326 OP1 DG B 4 7.684 -4.883 -5.399 1.00 0.68 O ATOM 327 OP2 DG B 4 8.304 -2.901 -3.899 1.00 0.77 O ATOM 328 O5' DG B 4 6.373 -2.709 -5.523 1.00 0.58 O ATOM 329 C5' DG B 4 5.720 -3.131 -6.741 1.00 0.46 C ATOM 330 C4' DG B 4 4.583 -2.230 -7.273 1.00 0.39 C ATOM 331 O4' DG B 4 3.414 -2.179 -6.422 1.00 0.39 O ATOM 332 C3' DG B 4 4.874 -0.783 -7.654 1.00 0.35 C ATOM 333 O3' DG B 4 4.137 -0.343 -8.819 1.00 0.39 O ATOM 334 C2' DG B 4 4.374 -0.135 -6.360 1.00 0.35 C ATOM 335 C1' DG B 4 2.995 -0.813 -6.244 1.00 0.33 C ATOM 336 N9 DG B 4 2.345 -0.715 -4.907 1.00 0.36 N ATOM 337 C8 DG B 4 2.864 -1.112 -3.702 1.00 0.42 C ATOM 338 N7 DG B 4 2.084 -0.914 -2.679 1.00 0.46 N ATOM 339 C5 DG B 4 0.954 -0.338 -3.246 1.00 0.40 C ATOM 340 C6 DG B 4 -0.237 0.096 -2.621 1.00 0.43 C ATOM 341 O6 DG B 4 -0.532 0.057 -1.431 1.00 0.52 O ATOM 342 N1 DG B 4 -1.123 0.610 -3.531 1.00 0.41 N ATOM 343 C2 DG B 4 -0.915 0.704 -4.872 1.00 0.41 C ATOM 344 N2 DG B 4 -1.922 1.216 -5.557 1.00 0.49 N ATOM 345 N3 DG B 4 0.195 0.309 -5.492 1.00 0.38 N ATOM 346 C4 DG B 4 1.095 -0.209 -4.610 1.00 0.36 C ATOM 0 H5' DG B 4 5.314 -4.130 -6.580 1.00 0.46 H new ATOM 0 H5'' DG B 4 6.478 -3.217 -7.520 1.00 0.46 H new ATOM 0 H4' DG B 4 4.421 -2.776 -8.202 1.00 0.39 H new ATOM 0 H3' DG B 4 5.901 -0.561 -7.944 1.00 0.35 H new ATOM 0 H2' DG B 4 5.019 -0.351 -5.508 1.00 0.35 H new ATOM 0 H2'' DG B 4 4.301 0.950 -6.437 1.00 0.35 H new ATOM 0 H1' DG B 4 2.263 -0.380 -6.926 1.00 0.33 H new ATOM 0 H8 DG B 4 3.845 -1.555 -3.609 1.00 0.42 H new ATOM 0 H1 DG B 4 -2.015 0.951 -3.172 1.00 0.41 H new ATOM 0 H21 DG B 4 -1.849 1.322 -6.569 1.00 0.49 H new ATOM 0 H22 DG B 4 -2.772 1.505 -5.074 1.00 0.49 H new ATOM 358 P DG B 5 4.687 0.834 -9.779 1.00 0.43 P ATOM 359 OP1 DG B 5 3.944 0.801 -11.063 1.00 0.60 O ATOM 360 OP2 DG B 5 6.167 0.762 -9.780 1.00 0.51 O ATOM 361 O5' DG B 5 4.222 2.132 -8.923 1.00 0.42 O ATOM 362 C5' DG B 5 2.828 2.490 -8.743 1.00 0.39 C ATOM 363 C4' DG B 5 2.574 3.520 -7.577 1.00 0.35 C ATOM 364 O4' DG B 5 2.932 2.921 -6.287 1.00 0.36 O ATOM 365 C3' DG B 5 3.383 4.844 -7.610 1.00 0.37 C ATOM 366 O3' DG B 5 2.777 6.153 -7.846 1.00 0.44 O ATOM 367 C2' DG B 5 4.232 4.762 -6.311 1.00 0.37 C ATOM 368 C1' DG B 5 3.401 3.906 -5.335 1.00 0.31 C ATOM 369 N9 DG B 5 4.188 3.295 -4.190 1.00 0.27 N ATOM 370 C8 DG B 5 5.530 2.972 -4.146 1.00 0.29 C ATOM 371 N7 DG B 5 5.935 2.451 -3.027 1.00 0.29 N ATOM 372 C5 DG B 5 4.799 2.416 -2.235 1.00 0.26 C ATOM 373 C6 DG B 5 4.652 1.946 -0.894 1.00 0.29 C ATOM 374 O6 DG B 5 5.489 1.469 -0.133 1.00 0.35 O ATOM 375 N1 DG B 5 3.358 2.087 -0.461 1.00 0.29 N ATOM 376 C2 DG B 5 2.348 2.606 -1.216 1.00 0.27 C ATOM 377 N2 DG B 5 1.191 2.680 -0.614 1.00 0.29 N ATOM 378 N3 DG B 5 2.449 3.050 -2.468 1.00 0.26 N ATOM 379 C4 DG B 5 3.717 2.927 -2.925 1.00 0.25 C ATOM 0 H5' DG B 5 2.254 1.585 -8.545 1.00 0.39 H new ATOM 0 H5'' DG B 5 2.449 2.911 -9.674 1.00 0.39 H new ATOM 0 H4' DG B 5 1.519 3.758 -7.712 1.00 0.35 H new ATOM 0 H3' DG B 5 3.915 4.858 -8.561 1.00 0.37 H new ATOM 0 H2' DG B 5 5.203 4.307 -6.504 1.00 0.37 H new ATOM 0 H2'' DG B 5 4.421 5.754 -5.901 1.00 0.37 H new ATOM 0 H1' DG B 5 2.640 4.453 -4.779 1.00 0.31 H new ATOM 0 H8 DG B 5 6.194 3.140 -4.981 1.00 0.29 H new ATOM 0 H1 DG B 5 3.137 1.784 0.487 1.00 0.29 H new ATOM 0 H21 DG B 5 0.382 3.057 -1.108 1.00 0.29 H new ATOM 0 H22 DG B 5 1.097 2.361 0.350 1.00 0.29 H new ATOM 391 P DA B 6 1.392 6.751 -7.247 1.00 0.45 P ATOM 392 OP1 DA B 6 1.756 7.854 -6.322 1.00 0.70 O ATOM 393 OP2 DA B 6 0.657 5.580 -6.712 1.00 0.45 O ATOM 394 O5' DA B 6 0.584 7.342 -8.506 1.00 0.51 O ATOM 395 C5' DA B 6 -0.656 6.795 -8.991 1.00 0.49 C ATOM 396 C4' DA B 6 -1.878 7.061 -8.032 1.00 0.39 C ATOM 397 O4' DA B 6 -1.823 6.416 -6.737 1.00 0.39 O ATOM 398 C3' DA B 6 -2.002 8.510 -7.612 1.00 0.36 C ATOM 399 O3' DA B 6 -2.255 9.489 -8.627 1.00 0.46 O ATOM 400 C2' DA B 6 -3.009 8.454 -6.457 1.00 0.33 C ATOM 401 C1' DA B 6 -2.501 7.195 -5.716 1.00 0.34 C ATOM 402 N9 DA B 6 -1.655 7.406 -4.500 1.00 0.29 N ATOM 403 C8 DA B 6 -0.326 7.140 -4.317 1.00 0.28 C ATOM 404 N7 DA B 6 0.142 7.441 -3.142 1.00 0.29 N ATOM 405 C5 DA B 6 -0.961 7.948 -2.477 1.00 0.31 C ATOM 406 C6 DA B 6 -1.132 8.453 -1.180 1.00 0.39 C ATOM 407 N6 DA B 6 -0.137 8.541 -0.307 1.00 0.43 N ATOM 408 N1 DA B 6 -2.352 8.867 -0.841 1.00 0.46 N ATOM 409 C2 DA B 6 -3.338 8.791 -1.725 1.00 0.47 C ATOM 410 N3 DA B 6 -3.307 8.345 -2.974 1.00 0.41 N ATOM 411 C4 DA B 6 -2.063 7.931 -3.292 1.00 0.32 C ATOM 0 H5' DA B 6 -0.540 5.720 -9.129 1.00 0.49 H new ATOM 0 H5'' DA B 6 -0.873 7.221 -9.970 1.00 0.49 H new ATOM 0 H4' DA B 6 -2.687 6.681 -8.656 1.00 0.39 H new ATOM 0 H3' DA B 6 -1.033 8.910 -7.312 1.00 0.36 H new ATOM 0 H2' DA B 6 -2.976 9.347 -5.832 1.00 0.33 H new ATOM 0 H2'' DA B 6 -4.036 8.346 -6.805 1.00 0.33 H new ATOM 0 H1' DA B 6 -3.355 6.687 -5.268 1.00 0.34 H new ATOM 0 H8 DA B 6 0.290 6.711 -5.093 1.00 0.28 H new ATOM 0 H61 DA B 6 -0.309 8.915 0.626 1.00 0.43 H new ATOM 0 H62 DA B 6 0.800 8.234 -0.569 1.00 0.43 H new ATOM 0 H2 DA B 6 -4.300 9.141 -1.380 1.00 0.47 H new ATOM 423 P DT B 7 -3.702 10.026 -9.077 1.00 0.43 P ATOM 424 OP1 DT B 7 -4.688 8.924 -8.969 1.00 0.53 O ATOM 425 OP2 DT B 7 -3.538 10.765 -10.349 1.00 0.69 O ATOM 426 O5' DT B 7 -3.935 11.091 -7.878 1.00 0.46 O ATOM 427 C5' DT B 7 -5.183 11.292 -7.196 1.00 0.46 C ATOM 428 C4' DT B 7 -5.033 11.979 -5.833 1.00 0.38 C ATOM 429 O4' DT B 7 -4.177 11.260 -4.925 1.00 0.40 O ATOM 430 C3' DT B 7 -4.510 13.385 -5.808 1.00 0.35 C ATOM 431 O3' DT B 7 -5.520 14.356 -6.104 1.00 0.51 O ATOM 432 C2' DT B 7 -3.913 13.570 -4.392 1.00 0.37 C ATOM 433 C1' DT B 7 -3.651 12.124 -3.885 1.00 0.37 C ATOM 434 N1 DT B 7 -2.224 11.757 -3.696 1.00 0.35 N ATOM 435 C2 DT B 7 -1.727 11.562 -2.409 1.00 0.40 C ATOM 436 O2 DT B 7 -2.401 11.678 -1.391 1.00 0.46 O ATOM 437 N3 DT B 7 -0.392 11.228 -2.316 1.00 0.47 N ATOM 438 C4 DT B 7 0.485 11.070 -3.378 1.00 0.50 C ATOM 439 O4 DT B 7 1.653 10.777 -3.144 1.00 0.62 O ATOM 440 C5 DT B 7 -0.115 11.289 -4.689 1.00 0.42 C ATOM 441 C7 DT B 7 0.706 11.164 -5.972 1.00 0.47 C ATOM 442 C6 DT B 7 -1.419 11.611 -4.792 1.00 0.36 C ATOM 0 H5' DT B 7 -5.671 10.327 -7.056 1.00 0.46 H new ATOM 0 H5'' DT B 7 -5.839 11.892 -7.826 1.00 0.46 H new ATOM 0 H4' DT B 7 -6.081 11.991 -5.533 1.00 0.38 H new ATOM 0 H3' DT B 7 -3.760 13.542 -6.584 1.00 0.35 H new ATOM 0 H2' DT B 7 -2.992 14.152 -4.423 1.00 0.37 H new ATOM 0 H2'' DT B 7 -4.604 14.101 -3.737 1.00 0.37 H new ATOM 0 HO3' DT B 7 -5.129 15.254 -6.073 1.00 0.51 H new ATOM 0 H1' DT B 7 -4.112 12.030 -2.902 1.00 0.37 H new ATOM 0 H3 DT B 7 -0.015 11.084 -1.379 1.00 0.47 H new ATOM 0 H71 DT B 7 1.743 11.432 -5.768 1.00 0.47 H new ATOM 0 H72 DT B 7 0.661 10.137 -6.334 1.00 0.47 H new ATOM 0 H73 DT B 7 0.301 11.834 -6.730 1.00 0.47 H new ATOM 0 H6 DT B 7 -1.843 11.759 -5.774 1.00 0.36 H new TER 456 DT B 7