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 69:sc= 1.31 USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.498 (180deg=-0.882) USER MOD Single : A 7 DT O3' : rot 180:sc= 0 USER MOD Single : B 1 DG O5' : rot 67:sc= 1.39 USER MOD Single : B 7 DT C7 :methyl -30:sc= -0.637 (180deg=-1.02) USER MOD Single : B 7 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -8.234 3.054 0.658 1.00 0.67 O ATOM 2 C5' DG A 1 -8.236 1.946 1.582 1.00 0.65 C ATOM 3 C4' DG A 1 -6.787 1.518 2.074 1.00 0.52 C ATOM 4 O4' DG A 1 -5.959 0.967 1.029 1.00 0.47 O ATOM 5 C3' DG A 1 -5.846 2.498 2.792 1.00 0.47 C ATOM 6 O3' DG A 1 -4.997 1.826 3.735 1.00 0.50 O ATOM 7 C2' DG A 1 -4.985 3.002 1.623 1.00 0.40 C ATOM 8 C1' DG A 1 -4.709 1.674 0.912 1.00 0.41 C ATOM 9 N9 DG A 1 -4.488 1.684 -0.557 1.00 0.34 N ATOM 10 C8 DG A 1 -3.514 1.060 -1.296 1.00 0.29 C ATOM 11 N7 DG A 1 -3.621 1.249 -2.581 1.00 0.33 N ATOM 12 C5 DG A 1 -4.738 2.050 -2.715 1.00 0.38 C ATOM 13 C6 DG A 1 -5.339 2.576 -3.885 1.00 0.50 C ATOM 14 O6 DG A 1 -4.980 2.425 -5.051 1.00 0.57 O ATOM 15 N1 DG A 1 -6.450 3.341 -3.587 1.00 0.61 N ATOM 16 C2 DG A 1 -6.919 3.563 -2.316 1.00 0.63 C ATOM 17 N2 DG A 1 -8.004 4.298 -2.174 1.00 0.77 N ATOM 18 N3 DG A 1 -6.360 3.070 -1.218 1.00 0.55 N ATOM 19 C4 DG A 1 -5.274 2.323 -1.491 1.00 0.41 C ATOM 0 H5' DG A 1 -8.716 1.090 1.107 1.00 0.65 H new ATOM 0 H5'' DG A 1 -8.841 2.210 2.450 1.00 0.65 H new ATOM 0 H4' DG A 1 -7.152 0.820 2.827 1.00 0.52 H new ATOM 0 H3' DG A 1 -6.378 3.265 3.355 1.00 0.47 H new ATOM 0 H2' DG A 1 -5.516 3.713 0.989 1.00 0.40 H new ATOM 0 H2'' DG A 1 -4.072 3.494 1.958 1.00 0.40 H new ATOM 0 HO5' DG A 1 -7.844 2.768 -0.195 1.00 0.67 H new ATOM 0 H1' DG A 1 -3.796 1.285 1.362 1.00 0.41 H new ATOM 0 H8 DG A 1 -2.729 0.466 -0.852 1.00 0.29 H new ATOM 0 H1 DG A 1 -6.955 3.769 -4.363 1.00 0.61 H new ATOM 0 H21 DG A 1 -8.378 4.481 -1.243 1.00 0.77 H new ATOM 0 H22 DG A 1 -8.470 4.683 -2.995 1.00 0.77 H new ATOM 32 P DG A 2 -4.471 2.521 5.088 1.00 0.47 P ATOM 33 OP1 DG A 2 -3.827 1.445 5.882 1.00 0.62 O ATOM 34 OP2 DG A 2 -5.572 3.312 5.688 1.00 0.51 O ATOM 35 O5' DG A 2 -3.311 3.531 4.565 1.00 0.43 O ATOM 36 C5' DG A 2 -1.951 3.068 4.400 1.00 0.40 C ATOM 37 C4' DG A 2 -1.113 3.792 3.244 1.00 0.40 C ATOM 38 O4' DG A 2 -1.679 3.661 1.901 1.00 0.42 O ATOM 39 C3' DG A 2 -0.874 5.334 3.371 1.00 0.43 C ATOM 40 O3' DG A 2 0.305 6.013 2.878 1.00 0.44 O ATOM 41 C2' DG A 2 -1.912 5.844 2.404 1.00 0.41 C ATOM 42 C1' DG A 2 -1.540 4.932 1.226 1.00 0.39 C ATOM 43 N9 DG A 2 -2.434 5.143 0.055 1.00 0.38 N ATOM 44 C8 DG A 2 -3.698 5.699 0.054 1.00 0.42 C ATOM 45 N7 DG A 2 -4.257 5.743 -1.104 1.00 0.43 N ATOM 46 C5 DG A 2 -3.321 5.188 -1.953 1.00 0.38 C ATOM 47 C6 DG A 2 -3.413 4.991 -3.343 1.00 0.40 C ATOM 48 O6 DG A 2 -4.313 5.290 -4.125 1.00 0.48 O ATOM 49 N1 DG A 2 -2.276 4.411 -3.820 1.00 0.34 N ATOM 50 C2 DG A 2 -1.177 4.059 -3.096 1.00 0.29 C ATOM 51 N2 DG A 2 -0.194 3.553 -3.819 1.00 0.29 N ATOM 52 N3 DG A 2 -1.057 4.233 -1.783 1.00 0.30 N ATOM 53 C4 DG A 2 -2.186 4.810 -1.271 1.00 0.34 C ATOM 0 H5' DG A 2 -1.972 1.998 4.194 1.00 0.40 H new ATOM 0 H5'' DG A 2 -1.423 3.200 5.345 1.00 0.40 H new ATOM 0 H4' DG A 2 -0.180 3.246 3.385 1.00 0.40 H new ATOM 0 H3' DG A 2 -0.847 5.513 4.446 1.00 0.43 H new ATOM 0 H2' DG A 2 -2.934 5.697 2.754 1.00 0.41 H new ATOM 0 H2'' DG A 2 -1.802 6.904 2.177 1.00 0.41 H new ATOM 0 H1' DG A 2 -0.565 5.081 0.762 1.00 0.39 H new ATOM 0 H8 DG A 2 -4.177 6.066 0.950 1.00 0.42 H new ATOM 0 H1 DG A 2 -2.245 4.221 -4.822 1.00 0.34 H new ATOM 0 H21 DG A 2 0.672 3.259 -3.368 1.00 0.29 H new ATOM 0 H22 DG A 2 -0.301 3.456 -4.829 1.00 0.29 H new ATOM 65 P DA A 3 0.683 7.518 3.372 1.00 0.41 P ATOM 66 OP1 DA A 3 -0.237 7.916 4.468 1.00 0.53 O ATOM 67 OP2 DA A 3 0.838 8.374 2.171 1.00 0.48 O ATOM 68 O5' DA A 3 2.137 7.161 3.974 1.00 0.48 O ATOM 69 C5' DA A 3 2.307 5.968 4.771 1.00 0.49 C ATOM 70 C4' DA A 3 3.411 4.992 4.180 1.00 0.42 C ATOM 71 O4' DA A 3 3.071 4.663 2.814 1.00 0.42 O ATOM 72 C3' DA A 3 4.920 5.398 4.073 1.00 0.46 C ATOM 73 O3' DA A 3 5.900 4.363 3.836 1.00 0.53 O ATOM 74 C2' DA A 3 4.937 6.069 2.720 1.00 0.43 C ATOM 75 C1' DA A 3 4.148 5.024 1.930 1.00 0.39 C ATOM 76 N9 DA A 3 3.598 5.645 0.724 1.00 0.32 N ATOM 77 C8 DA A 3 2.490 6.418 0.606 1.00 0.31 C ATOM 78 N7 DA A 3 2.262 6.871 -0.586 1.00 0.25 N ATOM 79 C5 DA A 3 3.313 6.347 -1.313 1.00 0.22 C ATOM 80 C6 DA A 3 3.655 6.451 -2.647 1.00 0.24 C ATOM 81 N6 DA A 3 2.918 7.141 -3.483 1.00 0.27 N ATOM 82 N1 DA A 3 4.747 5.817 -3.068 1.00 0.28 N ATOM 83 C2 DA A 3 5.451 5.117 -2.190 1.00 0.29 C ATOM 84 N3 DA A 3 5.237 4.939 -0.897 1.00 0.29 N ATOM 85 C4 DA A 3 4.129 5.597 -0.522 1.00 0.26 C ATOM 0 H5' DA A 3 1.356 5.439 4.834 1.00 0.49 H new ATOM 0 H5'' DA A 3 2.583 6.250 5.787 1.00 0.49 H new ATOM 0 H4' DA A 3 3.372 4.219 4.947 1.00 0.42 H new ATOM 0 H3' DA A 3 5.178 5.898 5.007 1.00 0.46 H new ATOM 0 H2' DA A 3 4.453 7.046 2.727 1.00 0.43 H new ATOM 0 H2'' DA A 3 5.946 6.216 2.335 1.00 0.43 H new ATOM 0 H1' DA A 3 4.754 4.171 1.624 1.00 0.39 H new ATOM 0 H8 DA A 3 1.845 6.640 1.444 1.00 0.31 H new ATOM 0 H61 DA A 3 3.186 7.207 -4.465 1.00 0.27 H new ATOM 0 H62 DA A 3 2.076 7.612 -3.152 1.00 0.27 H new ATOM 0 H2 DA A 3 6.324 4.621 -2.587 1.00 0.29 H new ATOM 97 P DG A 4 6.553 3.324 4.872 1.00 0.79 P ATOM 98 OP1 DG A 4 7.479 4.061 5.765 1.00 1.05 O ATOM 99 OP2 DG A 4 7.042 2.178 4.070 1.00 1.27 O ATOM 100 O5' DG A 4 5.291 2.813 5.739 1.00 0.85 O ATOM 101 C5' DG A 4 5.001 3.283 7.072 1.00 0.60 C ATOM 102 C4' DG A 4 3.969 2.408 7.793 1.00 0.50 C ATOM 103 O4' DG A 4 2.783 2.259 6.981 1.00 0.52 O ATOM 104 C3' DG A 4 4.367 0.989 8.194 1.00 0.35 C ATOM 105 O3' DG A 4 3.629 0.464 9.327 1.00 0.34 O ATOM 106 C2' DG A 4 4.006 0.323 6.874 1.00 0.31 C ATOM 107 C1' DG A 4 2.581 0.867 6.691 1.00 0.35 C ATOM 108 N9 DG A 4 2.028 0.755 5.311 1.00 0.31 N ATOM 109 C8 DG A 4 2.581 1.154 4.115 1.00 0.32 C ATOM 110 N7 DG A 4 1.842 0.911 3.070 1.00 0.33 N ATOM 111 C5 DG A 4 0.714 0.304 3.609 1.00 0.29 C ATOM 112 C6 DG A 4 -0.439 -0.184 2.955 1.00 0.30 C ATOM 113 O6 DG A 4 -0.700 -0.177 1.756 1.00 0.38 O ATOM 114 N1 DG A 4 -1.338 -0.720 3.847 1.00 0.28 N ATOM 115 C2 DG A 4 -1.169 -0.786 5.200 1.00 0.31 C ATOM 116 N2 DG A 4 -2.167 -1.327 5.877 1.00 0.40 N ATOM 117 N3 DG A 4 -0.091 -0.334 5.837 1.00 0.31 N ATOM 118 C4 DG A 4 0.815 0.202 4.975 1.00 0.28 C ATOM 0 H5' DG A 4 4.631 4.307 7.020 1.00 0.60 H new ATOM 0 H5'' DG A 4 5.922 3.306 7.654 1.00 0.60 H new ATOM 0 H4' DG A 4 3.833 2.964 8.721 1.00 0.50 H new ATOM 0 H3' DG A 4 5.389 0.857 8.548 1.00 0.35 H new ATOM 0 H2' DG A 4 4.672 0.615 6.062 1.00 0.31 H new ATOM 0 H2'' DG A 4 4.034 -0.765 6.933 1.00 0.31 H new ATOM 0 H1' DG A 4 1.870 0.317 7.307 1.00 0.35 H new ATOM 0 H8 DG A 4 3.548 1.630 4.049 1.00 0.32 H new ATOM 0 H1 DG A 4 -2.204 -1.100 3.465 1.00 0.28 H new ATOM 0 H21 DG A 4 -2.109 -1.409 6.892 1.00 0.40 H new ATOM 0 H22 DG A 4 -2.995 -1.662 5.384 1.00 0.40 H new ATOM 130 P DG A 5 4.238 -0.647 10.346 1.00 0.37 P ATOM 131 OP1 DG A 5 3.440 -0.664 11.593 1.00 0.61 O ATOM 132 OP2 DG A 5 5.706 -0.447 10.410 1.00 0.52 O ATOM 133 O5' DG A 5 3.948 -1.996 9.494 1.00 0.35 O ATOM 134 C5' DG A 5 2.613 -2.469 9.203 1.00 0.30 C ATOM 135 C4' DG A 5 2.543 -3.442 7.971 1.00 0.28 C ATOM 136 O4' DG A 5 2.964 -2.702 6.782 1.00 0.28 O ATOM 137 C3' DG A 5 3.506 -4.659 7.990 1.00 0.36 C ATOM 138 O3' DG A 5 3.137 -6.021 8.362 1.00 0.46 O ATOM 139 C2' DG A 5 4.281 -4.544 6.646 1.00 0.32 C ATOM 140 C1' DG A 5 3.455 -3.592 5.755 1.00 0.27 C ATOM 141 N9 DG A 5 4.236 -2.905 4.658 1.00 0.27 N ATOM 142 C8 DG A 5 5.561 -2.512 4.652 1.00 0.32 C ATOM 143 N7 DG A 5 5.965 -1.971 3.545 1.00 0.34 N ATOM 144 C5 DG A 5 4.847 -1.993 2.727 1.00 0.31 C ATOM 145 C6 DG A 5 4.709 -1.530 1.386 1.00 0.34 C ATOM 146 O6 DG A 5 5.551 -1.027 0.654 1.00 0.39 O ATOM 147 N1 DG A 5 3.439 -1.730 0.916 1.00 0.31 N ATOM 148 C2 DG A 5 2.439 -2.300 1.644 1.00 0.27 C ATOM 149 N2 DG A 5 1.302 -2.424 1.013 1.00 0.31 N ATOM 150 N3 DG A 5 2.525 -2.747 2.895 1.00 0.25 N ATOM 151 C4 DG A 5 3.775 -2.560 3.384 1.00 0.26 C ATOM 0 H5' DG A 5 1.966 -1.612 9.015 1.00 0.30 H new ATOM 0 H5'' DG A 5 2.218 -2.980 10.081 1.00 0.30 H new ATOM 0 H4' DG A 5 1.517 -3.809 7.989 1.00 0.28 H new ATOM 0 H3' DG A 5 4.066 -4.547 8.918 1.00 0.36 H new ATOM 0 H2' DG A 5 5.285 -4.153 6.808 1.00 0.32 H new ATOM 0 H2'' DG A 5 4.391 -5.521 6.175 1.00 0.32 H new ATOM 0 H1' DG A 5 2.690 -4.079 5.151 1.00 0.27 H new ATOM 0 H8 DG A 5 6.211 -2.645 5.504 1.00 0.32 H new ATOM 0 H1 DG A 5 3.229 -1.434 -0.037 1.00 0.31 H new ATOM 0 H21 DG A 5 0.500 -2.841 1.485 1.00 0.31 H new ATOM 0 H22 DG A 5 1.217 -2.104 0.048 1.00 0.31 H new ATOM 163 P DA A 6 2.058 -7.020 7.670 1.00 0.57 P ATOM 164 OP1 DA A 6 1.909 -8.209 8.542 1.00 0.68 O ATOM 165 OP2 DA A 6 2.409 -7.187 6.248 1.00 0.66 O ATOM 166 O5' DA A 6 0.768 -6.086 7.811 1.00 0.57 O ATOM 167 C5' DA A 6 -0.191 -6.236 8.874 1.00 0.61 C ATOM 168 C4' DA A 6 -1.513 -6.809 8.282 1.00 0.62 C ATOM 169 O4' DA A 6 -1.816 -6.096 7.053 1.00 0.55 O ATOM 170 C3' DA A 6 -1.532 -8.274 7.836 1.00 0.64 C ATOM 171 O3' DA A 6 -1.658 -9.252 8.876 1.00 0.74 O ATOM 172 C2' DA A 6 -2.678 -8.277 6.819 1.00 0.65 C ATOM 173 C1' DA A 6 -2.303 -7.007 6.043 1.00 0.53 C ATOM 174 N9 DA A 6 -1.376 -7.187 4.880 1.00 0.38 N ATOM 175 C8 DA A 6 -0.043 -6.880 4.753 1.00 0.33 C ATOM 176 N7 DA A 6 0.476 -7.191 3.598 1.00 0.26 N ATOM 177 C5 DA A 6 -0.581 -7.741 2.895 1.00 0.25 C ATOM 178 C6 DA A 6 -0.678 -8.264 1.597 1.00 0.24 C ATOM 179 N6 DA A 6 0.343 -8.324 0.749 1.00 0.25 N ATOM 180 N1 DA A 6 -1.871 -8.721 1.210 1.00 0.30 N ATOM 181 C2 DA A 6 -2.896 -8.668 2.051 1.00 0.37 C ATOM 182 N3 DA A 6 -2.926 -8.206 3.296 1.00 0.40 N ATOM 183 C4 DA A 6 -1.711 -7.746 3.661 1.00 0.33 C ATOM 0 H5' DA A 6 -0.378 -5.274 9.352 1.00 0.61 H new ATOM 0 H5'' DA A 6 0.199 -6.904 9.642 1.00 0.61 H new ATOM 0 H4' DA A 6 -2.205 -6.701 9.117 1.00 0.62 H new ATOM 0 H3' DA A 6 -0.573 -8.591 7.425 1.00 0.64 H new ATOM 0 H2' DA A 6 -2.684 -9.169 6.192 1.00 0.65 H new ATOM 0 H2'' DA A 6 -3.659 -8.211 7.288 1.00 0.65 H new ATOM 0 H1' DA A 6 -3.175 -6.618 5.518 1.00 0.53 H new ATOM 0 H8 DA A 6 0.528 -6.419 5.545 1.00 0.33 H new ATOM 0 H61 DA A 6 0.209 -8.716 -0.183 1.00 0.25 H new ATOM 0 H62 DA A 6 1.260 -7.978 1.030 1.00 0.25 H new ATOM 0 H2 DA A 6 -3.832 -9.052 1.672 1.00 0.37 H new ATOM 195 P DT A 7 -2.275 -10.731 8.691 1.00 0.82 P ATOM 196 OP1 DT A 7 -2.445 -11.320 10.034 1.00 0.95 O ATOM 197 OP2 DT A 7 -1.534 -11.471 7.649 1.00 0.81 O ATOM 198 O5' DT A 7 -3.716 -10.292 8.144 1.00 0.87 O ATOM 199 C5' DT A 7 -4.809 -10.980 7.538 1.00 0.86 C ATOM 200 C4' DT A 7 -4.584 -11.782 6.249 1.00 0.76 C ATOM 201 O4' DT A 7 -3.839 -11.077 5.242 1.00 0.66 O ATOM 202 C3' DT A 7 -3.951 -13.163 6.297 1.00 0.79 C ATOM 203 O3' DT A 7 -4.901 -14.127 6.739 1.00 0.92 O ATOM 204 C2' DT A 7 -3.496 -13.424 4.839 1.00 0.62 C ATOM 205 C1' DT A 7 -3.287 -11.992 4.260 1.00 0.57 C ATOM 206 N1 DT A 7 -1.883 -11.585 4.019 1.00 0.47 N ATOM 207 C2 DT A 7 -1.448 -11.385 2.722 1.00 0.42 C ATOM 208 O2 DT A 7 -2.160 -11.534 1.747 1.00 0.45 O ATOM 209 N3 DT A 7 -0.128 -11.005 2.583 1.00 0.40 N ATOM 210 C4 DT A 7 0.774 -10.815 3.614 1.00 0.42 C ATOM 211 O4 DT A 7 1.917 -10.471 3.345 1.00 0.43 O ATOM 212 C5 DT A 7 0.232 -11.052 4.940 1.00 0.49 C ATOM 213 C7 DT A 7 1.093 -10.929 6.205 1.00 0.58 C ATOM 214 C6 DT A 7 -1.049 -11.415 5.071 1.00 0.51 C ATOM 0 H5' DT A 7 -5.583 -10.242 7.331 1.00 0.86 H new ATOM 0 H5'' DT A 7 -5.214 -11.666 8.282 1.00 0.86 H new ATOM 0 H4' DT A 7 -5.640 -11.922 6.020 1.00 0.76 H new ATOM 0 H3' DT A 7 -3.117 -13.230 6.996 1.00 0.79 H new ATOM 0 H2' DT A 7 -2.577 -14.009 4.804 1.00 0.62 H new ATOM 0 H2'' DT A 7 -4.248 -13.978 4.277 1.00 0.62 H new ATOM 0 HO3' DT A 7 -4.481 -15.012 6.764 1.00 0.92 H new ATOM 0 H1' DT A 7 -3.766 -11.977 3.281 1.00 0.57 H new ATOM 0 H3 DT A 7 0.213 -10.850 1.634 1.00 0.40 H new ATOM 0 H71 DT A 7 2.127 -11.181 5.967 1.00 0.58 H new ATOM 0 H72 DT A 7 1.045 -9.906 6.580 1.00 0.58 H new ATOM 0 H73 DT A 7 0.719 -11.612 6.967 1.00 0.58 H new ATOM 0 H6 DT A 7 -1.437 -11.581 6.065 1.00 0.51 H new TER 228 DT A 7 ATOM 229 O5' DG B 1 -8.055 -3.430 -0.587 1.00 0.65 O ATOM 230 C5' DG B 1 -8.088 -2.320 -1.511 1.00 0.65 C ATOM 231 C4' DG B 1 -6.649 -1.822 -1.963 1.00 0.53 C ATOM 232 O4' DG B 1 -5.882 -1.230 -0.895 1.00 0.47 O ATOM 233 C3' DG B 1 -5.641 -2.755 -2.654 1.00 0.47 C ATOM 234 O3' DG B 1 -4.804 -2.039 -3.573 1.00 0.48 O ATOM 235 C2' DG B 1 -4.789 -3.213 -1.459 1.00 0.40 C ATOM 236 C1' DG B 1 -4.601 -1.873 -0.743 1.00 0.41 C ATOM 237 N9 DG B 1 -4.417 -1.875 0.731 1.00 0.35 N ATOM 238 C8 DG B 1 -3.496 -1.203 1.497 1.00 0.30 C ATOM 239 N7 DG B 1 -3.629 -1.397 2.778 1.00 0.33 N ATOM 240 C5 DG B 1 -4.708 -2.255 2.882 1.00 0.38 C ATOM 241 C6 DG B 1 -5.312 -2.812 4.034 1.00 0.49 C ATOM 242 O6 DG B 1 -4.993 -2.643 5.211 1.00 0.58 O ATOM 243 N1 DG B 1 -6.378 -3.632 3.708 1.00 0.60 N ATOM 244 C2 DG B 1 -6.800 -3.874 2.422 1.00 0.63 C ATOM 245 N2 DG B 1 -7.840 -4.668 2.256 1.00 0.79 N ATOM 246 N3 DG B 1 -6.236 -3.353 1.343 1.00 0.55 N ATOM 247 C4 DG B 1 -5.196 -2.552 1.644 1.00 0.41 C ATOM 0 H5' DG B 1 -8.621 -1.490 -1.048 1.00 0.65 H new ATOM 0 H5'' DG B 1 -8.656 -2.611 -2.395 1.00 0.65 H new ATOM 0 H4' DG B 1 -7.024 -1.143 -2.729 1.00 0.53 H new ATOM 0 H3' DG B 1 -6.115 -3.550 -3.230 1.00 0.47 H new ATOM 0 H2' DG B 1 -5.301 -3.949 -0.839 1.00 0.40 H new ATOM 0 H2'' DG B 1 -3.843 -3.658 -1.767 1.00 0.40 H new ATOM 0 HO5' DG B 1 -7.675 -3.134 0.267 1.00 0.65 H new ATOM 0 H1' DG B 1 -3.698 -1.435 -1.169 1.00 0.41 H new ATOM 0 H8 DG B 1 -2.730 -0.570 1.075 1.00 0.30 H new ATOM 0 H1 DG B 1 -6.882 -4.085 4.470 1.00 0.60 H new ATOM 0 H21 DG B 1 -8.182 -4.871 1.317 1.00 0.79 H new ATOM 0 H22 DG B 1 -8.302 -5.079 3.067 1.00 0.79 H new ATOM 260 P DG B 2 -4.203 -2.703 -4.912 1.00 0.47 P ATOM 261 OP1 DG B 2 -3.596 -1.594 -5.685 1.00 0.63 O ATOM 262 OP2 DG B 2 -5.249 -3.548 -5.541 1.00 0.53 O ATOM 263 O5' DG B 2 -3.008 -3.654 -4.357 1.00 0.45 O ATOM 264 C5' DG B 2 -1.680 -3.122 -4.156 1.00 0.41 C ATOM 265 C4' DG B 2 -0.834 -3.799 -2.976 1.00 0.41 C ATOM 266 O4' DG B 2 -1.442 -3.700 -1.648 1.00 0.39 O ATOM 267 C3' DG B 2 -0.513 -5.327 -3.097 1.00 0.41 C ATOM 268 O3' DG B 2 0.682 -5.948 -2.569 1.00 0.46 O ATOM 269 C2' DG B 2 -1.557 -5.893 -2.163 1.00 0.41 C ATOM 270 C1' DG B 2 -1.262 -4.965 -0.971 1.00 0.39 C ATOM 271 N9 DG B 2 -2.177 -5.222 0.176 1.00 0.38 N ATOM 272 C8 DG B 2 -3.412 -5.841 0.145 1.00 0.44 C ATOM 273 N7 DG B 2 -3.998 -5.914 1.286 1.00 0.45 N ATOM 274 C5 DG B 2 -3.114 -5.316 2.160 1.00 0.40 C ATOM 275 C6 DG B 2 -3.253 -5.126 3.547 1.00 0.40 C ATOM 276 O6 DG B 2 -4.159 -5.472 4.304 1.00 0.48 O ATOM 277 N1 DG B 2 -2.162 -4.490 4.055 1.00 0.35 N ATOM 278 C2 DG B 2 -1.063 -4.083 3.362 1.00 0.30 C ATOM 279 N2 DG B 2 -0.127 -3.529 4.115 1.00 0.28 N ATOM 280 N3 DG B 2 -0.898 -4.244 2.054 1.00 0.32 N ATOM 281 C4 DG B 2 -1.982 -4.879 1.508 1.00 0.36 C ATOM 0 H5' DG B 2 -1.763 -2.054 -3.953 1.00 0.41 H new ATOM 0 H5'' DG B 2 -1.121 -3.227 -5.086 1.00 0.41 H new ATOM 0 H4' DG B 2 0.072 -3.204 -3.090 1.00 0.41 H new ATOM 0 H3' DG B 2 -0.442 -5.501 -4.171 1.00 0.41 H new ATOM 0 H2' DG B 2 -2.574 -5.794 -2.544 1.00 0.41 H new ATOM 0 H2'' DG B 2 -1.403 -6.948 -1.935 1.00 0.41 H new ATOM 0 H1' DG B 2 -0.295 -5.068 -0.480 1.00 0.39 H new ATOM 0 H8 DG B 2 -3.848 -6.231 -0.763 1.00 0.44 H new ATOM 0 H1 DG B 2 -2.168 -4.299 5.057 1.00 0.35 H new ATOM 0 H21 DG B 2 0.736 -3.191 3.689 1.00 0.28 H new ATOM 0 H22 DG B 2 -0.269 -3.440 5.121 1.00 0.28 H new ATOM 293 P DA B 3 1.149 -7.433 -3.052 1.00 0.41 P ATOM 294 OP1 DA B 3 0.279 -7.875 -4.172 1.00 0.55 O ATOM 295 OP2 DA B 3 1.313 -8.279 -1.846 1.00 0.49 O ATOM 296 O5' DA B 3 2.598 -7.000 -3.615 1.00 0.48 O ATOM 297 C5' DA B 3 2.727 -5.800 -4.407 1.00 0.48 C ATOM 298 C4' DA B 3 3.762 -4.767 -3.787 1.00 0.43 C ATOM 299 O4' DA B 3 3.372 -4.455 -2.430 1.00 0.41 O ATOM 300 C3' DA B 3 5.287 -5.095 -3.640 1.00 0.45 C ATOM 301 O3' DA B 3 6.208 -4.014 -3.374 1.00 0.52 O ATOM 302 C2' DA B 3 5.295 -5.775 -2.292 1.00 0.43 C ATOM 303 C1' DA B 3 4.442 -4.769 -1.517 1.00 0.37 C ATOM 304 N9 DA B 3 3.888 -5.416 -0.328 1.00 0.29 N ATOM 305 C8 DA B 3 2.821 -6.246 -0.238 1.00 0.27 C ATOM 306 N7 DA B 3 2.585 -6.713 0.949 1.00 0.22 N ATOM 307 C5 DA B 3 3.586 -6.132 1.704 1.00 0.21 C ATOM 308 C6 DA B 3 3.897 -6.218 3.047 1.00 0.24 C ATOM 309 N6 DA B 3 3.178 -6.945 3.865 1.00 0.29 N ATOM 310 N1 DA B 3 4.944 -5.530 3.496 1.00 0.28 N ATOM 311 C2 DA B 3 5.636 -4.797 2.637 1.00 0.30 C ATOM 312 N3 DA B 3 5.448 -4.631 1.338 1.00 0.30 N ATOM 313 C4 DA B 3 4.384 -5.341 0.935 1.00 0.26 C ATOM 0 H5' DA B 3 1.752 -5.322 -4.497 1.00 0.48 H new ATOM 0 H5'' DA B 3 3.045 -6.067 -5.415 1.00 0.48 H new ATOM 0 H4' DA B 3 3.700 -3.996 -4.555 1.00 0.43 H new ATOM 0 H3' DA B 3 5.599 -5.574 -4.568 1.00 0.45 H new ATOM 0 H2' DA B 3 4.852 -6.771 -2.319 1.00 0.43 H new ATOM 0 H2'' DA B 3 6.298 -5.883 -1.880 1.00 0.43 H new ATOM 0 H1' DA B 3 5.002 -3.892 -1.192 1.00 0.37 H new ATOM 0 H8 DA B 3 2.211 -6.500 -1.092 1.00 0.27 H new ATOM 0 H61 DA B 3 3.425 -6.995 4.853 1.00 0.29 H new ATOM 0 H62 DA B 3 2.371 -7.461 3.514 1.00 0.29 H new ATOM 0 H2 DA B 3 6.473 -4.258 3.057 1.00 0.30 H new ATOM 325 P DG B 4 6.835 -2.943 -4.392 1.00 0.79 P ATOM 326 OP1 DG B 4 7.824 -3.629 -5.258 1.00 1.06 O ATOM 327 OP2 DG B 4 7.241 -1.774 -3.577 1.00 1.26 O ATOM 328 O5' DG B 4 5.574 -2.494 -5.295 1.00 0.84 O ATOM 329 C5' DG B 4 5.343 -2.980 -6.633 1.00 0.60 C ATOM 330 C4' DG B 4 4.289 -2.155 -7.385 1.00 0.49 C ATOM 331 O4' DG B 4 3.074 -2.069 -6.607 1.00 0.54 O ATOM 332 C3' DG B 4 4.626 -0.719 -7.774 1.00 0.34 C ATOM 333 O3' DG B 4 3.894 -0.230 -8.926 1.00 0.33 O ATOM 334 C2' DG B 4 4.196 -0.073 -6.462 1.00 0.32 C ATOM 335 C1' DG B 4 2.796 -0.689 -6.320 1.00 0.35 C ATOM 336 N9 DG B 4 2.200 -0.606 -4.957 1.00 0.30 N ATOM 337 C8 DG B 4 2.738 -0.979 -3.745 1.00 0.32 C ATOM 338 N7 DG B 4 1.959 -0.776 -2.721 1.00 0.33 N ATOM 339 C5 DG B 4 0.819 -0.226 -3.291 1.00 0.28 C ATOM 340 C6 DG B 4 -0.377 0.202 -2.668 1.00 0.29 C ATOM 341 O6 DG B 4 -0.672 0.182 -1.476 1.00 0.36 O ATOM 342 N1 DG B 4 -1.278 0.693 -3.585 1.00 0.28 N ATOM 343 C2 DG B 4 -1.074 0.769 -4.937 1.00 0.29 C ATOM 344 N2 DG B 4 -2.076 1.265 -5.640 1.00 0.38 N ATOM 345 N3 DG B 4 0.042 0.373 -5.541 1.00 0.30 N ATOM 346 C4 DG B 4 0.950 -0.116 -4.652 1.00 0.28 C ATOM 0 H5' DG B 4 5.021 -4.020 -6.588 1.00 0.60 H new ATOM 0 H5'' DG B 4 6.280 -2.961 -7.190 1.00 0.60 H new ATOM 0 H4' DG B 4 4.208 -2.714 -8.317 1.00 0.49 H new ATOM 0 H3' DG B 4 5.650 -0.536 -8.100 1.00 0.34 H new ATOM 0 H2' DG B 4 4.854 -0.333 -5.632 1.00 0.32 H new ATOM 0 H2'' DG B 4 4.171 1.015 -6.520 1.00 0.32 H new ATOM 0 H1' DG B 4 2.076 -0.174 -6.956 1.00 0.35 H new ATOM 0 H8 DG B 4 3.726 -1.405 -3.651 1.00 0.32 H new ATOM 0 H1 DG B 4 -2.173 1.028 -3.228 1.00 0.28 H new ATOM 0 H21 DG B 4 -1.995 1.351 -6.653 1.00 0.38 H new ATOM 0 H22 DG B 4 -2.931 1.562 -5.170 1.00 0.38 H new ATOM 358 P DG B 5 4.474 0.913 -9.927 1.00 0.36 P ATOM 359 OP1 DG B 5 3.707 0.888 -11.198 1.00 0.59 O ATOM 360 OP2 DG B 5 5.949 0.788 -9.952 1.00 0.53 O ATOM 361 O5' DG B 5 4.091 2.243 -9.086 1.00 0.33 O ATOM 362 C5' DG B 5 2.728 2.654 -8.837 1.00 0.32 C ATOM 363 C4' DG B 5 2.573 3.620 -7.605 1.00 0.30 C ATOM 364 O4' DG B 5 2.997 2.895 -6.404 1.00 0.28 O ATOM 365 C3' DG B 5 3.476 4.880 -7.592 1.00 0.37 C ATOM 366 O3' DG B 5 3.049 6.224 -7.974 1.00 0.47 O ATOM 367 C2' DG B 5 4.219 4.798 -6.229 1.00 0.33 C ATOM 368 C1' DG B 5 3.414 3.806 -5.362 1.00 0.27 C ATOM 369 N9 DG B 5 4.199 3.160 -4.245 1.00 0.28 N ATOM 370 C8 DG B 5 5.539 2.832 -4.202 1.00 0.33 C ATOM 371 N7 DG B 5 5.941 2.312 -3.084 1.00 0.34 N ATOM 372 C5 DG B 5 4.800 2.279 -2.297 1.00 0.30 C ATOM 373 C6 DG B 5 4.650 1.810 -0.959 1.00 0.33 C ATOM 374 O6 DG B 5 5.496 1.350 -0.203 1.00 0.39 O ATOM 375 N1 DG B 5 3.359 1.946 -0.524 1.00 0.32 N ATOM 376 C2 DG B 5 2.352 2.464 -1.280 1.00 0.28 C ATOM 377 N2 DG B 5 1.194 2.532 -0.679 1.00 0.31 N ATOM 378 N3 DG B 5 2.449 2.915 -2.529 1.00 0.26 N ATOM 379 C4 DG B 5 3.721 2.791 -2.984 1.00 0.26 C ATOM 0 H5' DG B 5 2.115 1.768 -8.672 1.00 0.32 H new ATOM 0 H5'' DG B 5 2.339 3.149 -9.727 1.00 0.32 H new ATOM 0 H4' DG B 5 1.531 3.938 -7.653 1.00 0.30 H new ATOM 0 H3' DG B 5 4.071 4.799 -8.502 1.00 0.37 H new ATOM 0 H2' DG B 5 5.245 4.454 -6.364 1.00 0.33 H new ATOM 0 H2'' DG B 5 4.271 5.778 -5.754 1.00 0.33 H new ATOM 0 H1' DG B 5 2.607 4.251 -4.780 1.00 0.27 H new ATOM 0 H8 DG B 5 6.203 2.996 -5.037 1.00 0.33 H new ATOM 0 H1 DG B 5 3.138 1.641 0.424 1.00 0.32 H new ATOM 0 H21 DG B 5 0.384 2.908 -1.173 1.00 0.31 H new ATOM 0 H22 DG B 5 1.100 2.209 0.284 1.00 0.31 H new ATOM 391 P DA B 6 1.900 7.164 -7.315 1.00 0.57 P ATOM 392 OP1 DA B 6 1.711 8.345 -8.192 1.00 0.67 O ATOM 393 OP2 DA B 6 2.200 7.348 -5.884 1.00 0.68 O ATOM 394 O5' DA B 6 0.667 6.162 -7.492 1.00 0.57 O ATOM 395 C5' DA B 6 -0.263 6.256 -8.583 1.00 0.59 C ATOM 396 C4' DA B 6 -1.626 6.760 -8.032 1.00 0.61 C ATOM 397 O4' DA B 6 -1.920 6.030 -6.807 1.00 0.55 O ATOM 398 C3' DA B 6 -1.718 8.224 -7.589 1.00 0.64 C ATOM 399 O3' DA B 6 -1.897 9.195 -8.628 1.00 0.72 O ATOM 400 C2' DA B 6 -2.874 8.148 -6.601 1.00 0.62 C ATOM 401 C1' DA B 6 -2.476 6.912 -5.810 1.00 0.54 C ATOM 402 N9 DA B 6 -1.604 7.148 -4.618 1.00 0.41 N ATOM 403 C8 DA B 6 -0.262 6.914 -4.450 1.00 0.35 C ATOM 404 N7 DA B 6 0.203 7.248 -3.281 1.00 0.26 N ATOM 405 C5 DA B 6 -0.903 7.742 -2.611 1.00 0.26 C ATOM 406 C6 DA B 6 -1.065 8.260 -1.319 1.00 0.24 C ATOM 407 N6 DA B 6 -0.071 8.374 -0.445 1.00 0.24 N ATOM 408 N1 DA B 6 -2.290 8.658 -0.968 1.00 0.30 N ATOM 409 C2 DA B 6 -3.285 8.550 -1.839 1.00 0.37 C ATOM 410 N3 DA B 6 -3.256 8.083 -3.083 1.00 0.41 N ATOM 411 C4 DA B 6 -2.008 7.687 -3.411 1.00 0.35 C ATOM 0 H5' DA B 6 -0.385 5.284 -9.061 1.00 0.59 H new ATOM 0 H5'' DA B 6 0.114 6.940 -9.343 1.00 0.59 H new ATOM 0 H4' DA B 6 -2.297 6.618 -8.879 1.00 0.61 H new ATOM 0 H3' DA B 6 -0.781 8.597 -7.174 1.00 0.64 H new ATOM 0 H2' DA B 6 -2.944 9.037 -5.975 1.00 0.62 H new ATOM 0 H2'' DA B 6 -3.837 8.031 -7.097 1.00 0.62 H new ATOM 0 H1' DA B 6 -3.337 6.474 -5.305 1.00 0.54 H new ATOM 0 H8 DA B 6 0.358 6.487 -5.225 1.00 0.35 H new ATOM 0 H61 DA B 6 -0.249 8.759 0.483 1.00 0.24 H new ATOM 0 H62 DA B 6 0.870 8.076 -0.702 1.00 0.24 H new ATOM 0 H2 DA B 6 -4.250 8.887 -1.490 1.00 0.37 H new ATOM 423 P DT B 7 -2.600 10.638 -8.451 1.00 0.82 P ATOM 424 OP1 DT B 7 -2.770 11.224 -9.797 1.00 0.96 O ATOM 425 OP2 DT B 7 -1.920 11.414 -7.395 1.00 0.83 O ATOM 426 O5' DT B 7 -4.037 10.129 -7.920 1.00 0.84 O ATOM 427 C5' DT B 7 -5.194 10.806 -7.407 1.00 0.88 C ATOM 428 C4' DT B 7 -5.034 11.646 -6.094 1.00 0.75 C ATOM 429 O4' DT B 7 -4.358 10.947 -5.026 1.00 0.65 O ATOM 430 C3' DT B 7 -4.400 12.988 -6.098 1.00 0.76 C ATOM 431 O3' DT B 7 -5.384 13.877 -6.535 1.00 0.91 O ATOM 432 C2' DT B 7 -3.970 13.283 -4.645 1.00 0.64 C ATOM 433 C1' DT B 7 -3.800 11.865 -4.050 1.00 0.57 C ATOM 434 N1 DT B 7 -2.384 11.520 -3.774 1.00 0.49 N ATOM 435 C2 DT B 7 -1.961 11.330 -2.475 1.00 0.43 C ATOM 436 O2 DT B 7 -2.705 11.439 -1.511 1.00 0.45 O ATOM 437 N3 DT B 7 -0.633 11.016 -2.297 1.00 0.40 N ATOM 438 C4 DT B 7 0.303 10.873 -3.302 1.00 0.42 C ATOM 439 O4 DT B 7 1.455 10.588 -3.004 1.00 0.44 O ATOM 440 C5 DT B 7 -0.224 11.092 -4.639 1.00 0.49 C ATOM 441 C7 DT B 7 0.671 11.007 -5.878 1.00 0.59 C ATOM 442 C6 DT B 7 -1.520 11.398 -4.804 1.00 0.53 C ATOM 0 H5' DT B 7 -5.968 10.059 -7.233 1.00 0.88 H new ATOM 0 H5'' DT B 7 -5.564 11.472 -8.186 1.00 0.88 H new ATOM 0 H4' DT B 7 -6.104 11.802 -5.957 1.00 0.75 H new ATOM 0 H3' DT B 7 -3.526 13.066 -6.744 1.00 0.76 H new ATOM 0 H2' DT B 7 -3.042 13.854 -4.605 1.00 0.64 H new ATOM 0 H2'' DT B 7 -4.723 13.860 -4.109 1.00 0.64 H new ATOM 0 HO3' DT B 7 -5.018 14.786 -6.555 1.00 0.91 H new ATOM 0 H1' DT B 7 -4.309 11.808 -3.088 1.00 0.57 H new ATOM 0 H3 DT B 7 -0.312 10.877 -1.339 1.00 0.40 H new ATOM 0 H71 DT B 7 1.687 11.300 -5.614 1.00 0.59 H new ATOM 0 H72 DT B 7 0.675 9.984 -6.255 1.00 0.59 H new ATOM 0 H73 DT B 7 0.289 11.676 -6.649 1.00 0.59 H new ATOM 0 H6 DT B 7 -1.889 11.554 -5.807 1.00 0.53 H new TER 456 DT B 7