USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 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 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.00458) USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -1.08 (180deg=-3.73!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 1.219 -10.433 3.612 1.00 1.19 O ATOM 2 C5' DG A 1 0.922 -9.237 4.340 1.00 0.67 C ATOM 3 C4' DG A 1 -0.388 -9.367 5.083 1.00 0.50 C ATOM 4 O4' DG A 1 -0.571 -8.201 5.919 1.00 0.42 O ATOM 5 C3' DG A 1 -1.628 -9.433 4.196 1.00 0.45 C ATOM 6 O3' DG A 1 -2.650 -10.214 4.824 1.00 0.61 O ATOM 7 C2' DG A 1 -2.050 -7.979 4.079 1.00 0.40 C ATOM 8 C1' DG A 1 -1.595 -7.364 5.397 1.00 0.36 C ATOM 9 N9 DG A 1 -1.044 -6.019 5.265 1.00 0.33 N ATOM 10 C8 DG A 1 -1.194 -4.968 6.137 1.00 0.36 C ATOM 11 N7 DG A 1 -0.578 -3.885 5.749 1.00 0.34 N ATOM 12 C5 DG A 1 0.013 -4.241 4.544 1.00 0.30 C ATOM 13 C6 DG A 1 0.818 -3.486 3.649 1.00 0.28 C ATOM 14 O6 DG A 1 1.164 -2.301 3.720 1.00 0.27 O ATOM 15 N1 DG A 1 1.223 -4.246 2.566 1.00 0.30 N ATOM 16 C2 DG A 1 0.863 -5.548 2.333 1.00 0.34 C ATOM 17 N2 DG A 1 1.288 -6.083 1.186 1.00 0.41 N ATOM 18 N3 DG A 1 0.122 -6.266 3.154 1.00 0.33 N ATOM 19 C4 DG A 1 -0.265 -5.556 4.233 1.00 0.31 C ATOM 0 H5' DG A 1 0.873 -8.392 3.653 1.00 0.67 H new ATOM 0 H5'' DG A 1 1.726 -9.028 5.046 1.00 0.67 H new ATOM 0 H4' DG A 1 -0.308 -10.306 5.630 1.00 0.50 H new ATOM 0 H3' DG A 1 -1.444 -9.900 3.228 1.00 0.45 H new ATOM 0 H2' DG A 1 -1.578 -7.492 3.226 1.00 0.40 H new ATOM 0 H2'' DG A 1 -3.127 -7.884 3.944 1.00 0.40 H new ATOM 0 HO5' DG A 1 2.070 -10.325 3.138 1.00 1.19 H new ATOM 0 H1' DG A 1 -2.471 -7.287 6.041 1.00 0.36 H new ATOM 0 H8 DG A 1 -1.764 -5.032 7.052 1.00 0.36 H new ATOM 0 H1 DG A 1 1.839 -3.801 1.886 1.00 0.30 H new ATOM 0 H21 DG A 1 1.053 -7.048 0.955 1.00 0.41 H new ATOM 0 H22 DG A 1 1.848 -5.526 0.540 1.00 0.41 H new ATOM 32 P DG A 2 -4.039 -10.479 4.058 1.00 0.49 P ATOM 33 OP1 DG A 2 -4.781 -11.537 4.790 1.00 0.88 O ATOM 34 OP2 DG A 2 -3.735 -10.660 2.616 1.00 1.15 O ATOM 35 O5' DG A 2 -4.834 -9.108 4.221 1.00 0.69 O ATOM 36 C5' DG A 2 -5.186 -8.610 5.512 1.00 0.46 C ATOM 37 C4' DG A 2 -6.070 -7.394 5.374 1.00 0.31 C ATOM 38 O4' DG A 2 -5.241 -6.262 5.017 1.00 0.25 O ATOM 39 C3' DG A 2 -7.144 -7.509 4.286 1.00 0.29 C ATOM 40 O3' DG A 2 -8.425 -7.137 4.806 1.00 0.34 O ATOM 41 C2' DG A 2 -6.702 -6.528 3.213 1.00 0.24 C ATOM 42 C1' DG A 2 -5.853 -5.532 3.975 1.00 0.20 C ATOM 43 N9 DG A 2 -4.801 -4.906 3.182 1.00 0.19 N ATOM 44 C8 DG A 2 -4.021 -5.505 2.223 1.00 0.22 C ATOM 45 N7 DG A 2 -3.176 -4.686 1.661 1.00 0.22 N ATOM 46 C5 DG A 2 -3.408 -3.471 2.290 1.00 0.19 C ATOM 47 C6 DG A 2 -2.796 -2.207 2.098 1.00 0.20 C ATOM 48 O6 DG A 2 -1.895 -1.900 1.307 1.00 0.22 O ATOM 49 N1 DG A 2 -3.333 -1.244 2.945 1.00 0.20 N ATOM 50 C2 DG A 2 -4.324 -1.471 3.869 1.00 0.19 C ATOM 51 N2 DG A 2 -4.701 -0.423 4.608 1.00 0.22 N ATOM 52 N3 DG A 2 -4.905 -2.644 4.056 1.00 0.18 N ATOM 53 C4 DG A 2 -4.402 -3.591 3.237 1.00 0.18 C ATOM 0 H5' DG A 2 -4.285 -8.353 6.070 1.00 0.46 H new ATOM 0 H5'' DG A 2 -5.703 -9.383 6.080 1.00 0.46 H new ATOM 0 H4' DG A 2 -6.577 -7.285 6.333 1.00 0.31 H new ATOM 0 H3' DG A 2 -7.244 -8.526 3.906 1.00 0.29 H new ATOM 0 H2' DG A 2 -6.132 -7.023 2.427 1.00 0.24 H new ATOM 0 H2'' DG A 2 -7.554 -6.046 2.734 1.00 0.24 H new ATOM 0 H1' DG A 2 -6.499 -4.721 4.311 1.00 0.20 H new ATOM 0 H8 DG A 2 -4.100 -6.550 1.961 1.00 0.22 H new ATOM 0 H1 DG A 2 -2.963 -0.296 2.875 1.00 0.20 H new ATOM 0 H21 DG A 2 -5.433 -0.531 5.310 1.00 0.22 H new ATOM 0 H22 DG A 2 -4.257 0.485 4.469 1.00 0.22 H new ATOM 65 P DT A 3 -9.759 -7.727 4.131 1.00 0.69 P ATOM 66 OP1 DT A 3 -10.914 -7.077 4.799 1.00 1.18 O ATOM 67 OP2 DT A 3 -9.660 -9.209 4.117 1.00 1.11 O ATOM 68 O5' DT A 3 -9.694 -7.202 2.627 1.00 0.62 O ATOM 69 C5' DT A 3 -10.413 -7.863 1.583 1.00 0.61 C ATOM 70 C4' DT A 3 -11.159 -6.854 0.741 1.00 0.66 C ATOM 71 O4' DT A 3 -12.069 -6.115 1.594 1.00 0.77 O ATOM 72 C3' DT A 3 -10.282 -5.801 0.061 1.00 0.75 C ATOM 73 O3' DT A 3 -10.833 -5.452 -1.216 1.00 1.14 O ATOM 74 C2' DT A 3 -10.353 -4.628 1.022 1.00 0.64 C ATOM 75 C1' DT A 3 -11.786 -4.728 1.508 1.00 0.80 C ATOM 76 N1 DT A 3 -12.049 -4.128 2.832 1.00 0.87 N ATOM 77 C2 DT A 3 -13.173 -3.345 2.968 1.00 1.16 C ATOM 78 O2 DT A 3 -13.946 -3.125 2.051 1.00 1.35 O ATOM 79 N3 DT A 3 -13.361 -2.826 4.220 1.00 1.30 N ATOM 80 C4 DT A 3 -12.559 -3.004 5.326 1.00 1.28 C ATOM 81 O4 DT A 3 -12.861 -2.473 6.390 1.00 1.53 O ATOM 82 C5 DT A 3 -11.394 -3.835 5.116 1.00 1.04 C ATOM 83 C7 DT A 3 -10.470 -4.088 6.265 1.00 1.20 C ATOM 84 C6 DT A 3 -11.195 -4.351 3.894 1.00 0.80 C ATOM 0 H5' DT A 3 -11.114 -8.579 2.012 1.00 0.61 H new ATOM 0 H5'' DT A 3 -9.722 -8.429 0.958 1.00 0.61 H new ATOM 0 H4' DT A 3 -11.646 -7.442 -0.037 1.00 0.66 H new ATOM 0 H3' DT A 3 -9.262 -6.134 -0.129 1.00 0.75 H new ATOM 0 H2' DT A 3 -9.635 -4.720 1.837 1.00 0.64 H new ATOM 0 H2'' DT A 3 -10.152 -3.678 0.527 1.00 0.64 H new ATOM 0 H1' DT A 3 -12.410 -4.172 0.808 1.00 0.80 H new ATOM 0 H3 DT A 3 -14.187 -2.242 4.349 1.00 1.30 H new ATOM 0 H71 DT A 3 -10.003 -5.066 6.148 1.00 1.20 H new ATOM 0 H72 DT A 3 -9.699 -3.318 6.288 1.00 1.20 H new ATOM 0 H73 DT A 3 -11.034 -4.064 7.197 1.00 1.20 H new ATOM 0 H6 DT A 3 -10.325 -4.971 3.733 1.00 0.80 H new ATOM 97 P DT A 4 -9.993 -4.526 -2.230 1.00 1.41 P ATOM 98 OP1 DT A 4 -9.932 -3.159 -1.651 1.00 2.46 O ATOM 99 OP2 DT A 4 -10.555 -4.718 -3.591 1.00 2.34 O ATOM 100 O5' DT A 4 -8.522 -5.139 -2.197 1.00 0.89 O ATOM 101 C5' DT A 4 -8.165 -6.242 -3.032 1.00 0.89 C ATOM 102 C4' DT A 4 -7.606 -5.751 -4.348 1.00 0.71 C ATOM 103 O4' DT A 4 -7.823 -4.320 -4.464 1.00 0.65 O ATOM 104 C3' DT A 4 -6.099 -5.962 -4.521 1.00 0.67 C ATOM 105 O3' DT A 4 -5.794 -6.341 -5.869 1.00 0.66 O ATOM 106 C2' DT A 4 -5.512 -4.598 -4.209 1.00 0.65 C ATOM 107 C1' DT A 4 -6.591 -3.663 -4.716 1.00 0.64 C ATOM 108 N1 DT A 4 -6.621 -2.343 -4.051 1.00 0.67 N ATOM 109 C2 DT A 4 -6.351 -1.239 -4.828 1.00 0.89 C ATOM 110 O2 DT A 4 -6.119 -1.307 -6.023 1.00 1.04 O ATOM 111 N3 DT A 4 -6.363 -0.048 -4.155 1.00 0.96 N ATOM 112 C4 DT A 4 -6.610 0.150 -2.814 1.00 0.81 C ATOM 113 O4 DT A 4 -6.569 1.285 -2.348 1.00 0.91 O ATOM 114 C5 DT A 4 -6.892 -1.049 -2.054 1.00 0.59 C ATOM 115 C7 DT A 4 -7.089 -0.935 -0.574 1.00 0.49 C ATOM 116 C6 DT A 4 -6.895 -2.225 -2.701 1.00 0.55 C ATOM 0 H5' DT A 4 -9.040 -6.867 -3.212 1.00 0.89 H new ATOM 0 H5'' DT A 4 -7.427 -6.865 -2.526 1.00 0.89 H new ATOM 0 H4' DT A 4 -8.126 -6.336 -5.106 1.00 0.71 H new ATOM 0 H3' DT A 4 -5.705 -6.753 -3.883 1.00 0.67 H new ATOM 0 H2' DT A 4 -5.328 -4.468 -3.142 1.00 0.65 H new ATOM 0 H2'' DT A 4 -4.562 -4.437 -4.718 1.00 0.65 H new ATOM 0 H1' DT A 4 -6.398 -3.458 -5.769 1.00 0.64 H new ATOM 0 H3 DT A 4 -6.167 0.787 -4.708 1.00 0.96 H new ATOM 0 H71 DT A 4 -6.500 -0.101 -0.192 1.00 0.49 H new ATOM 0 H72 DT A 4 -8.144 -0.763 -0.360 1.00 0.49 H new ATOM 0 H73 DT A 4 -6.767 -1.858 -0.092 1.00 0.49 H new ATOM 0 H6 DT A 4 -7.122 -3.120 -2.141 1.00 0.55 H new ATOM 129 P DG A 5 -4.683 -7.470 -6.150 1.00 0.66 P ATOM 130 OP1 DG A 5 -4.649 -7.698 -7.617 1.00 1.27 O ATOM 131 OP2 DG A 5 -4.940 -8.614 -5.236 1.00 1.03 O ATOM 132 O5' DG A 5 -3.308 -6.782 -5.727 1.00 0.76 O ATOM 133 C5' DG A 5 -2.222 -7.554 -5.206 1.00 0.57 C ATOM 134 C4' DG A 5 -0.952 -7.255 -5.970 1.00 0.47 C ATOM 135 O4' DG A 5 -0.680 -5.833 -5.889 1.00 0.48 O ATOM 136 C3' DG A 5 0.306 -7.942 -5.434 1.00 0.46 C ATOM 137 O3' DG A 5 1.205 -8.244 -6.509 1.00 0.62 O ATOM 138 C2' DG A 5 0.899 -6.891 -4.516 1.00 0.40 C ATOM 139 C1' DG A 5 0.584 -5.618 -5.278 1.00 0.41 C ATOM 140 N9 DG A 5 0.484 -4.416 -4.458 1.00 0.36 N ATOM 141 C8 DG A 5 0.953 -3.165 -4.771 1.00 0.38 C ATOM 142 N7 DG A 5 0.697 -2.274 -3.854 1.00 0.36 N ATOM 143 C5 DG A 5 0.021 -2.980 -2.870 1.00 0.32 C ATOM 144 C6 DG A 5 -0.518 -2.544 -1.632 1.00 0.30 C ATOM 145 O6 DG A 5 -0.500 -1.410 -1.137 1.00 0.31 O ATOM 146 N1 DG A 5 -1.129 -3.586 -0.945 1.00 0.28 N ATOM 147 C2 DG A 5 -1.188 -4.889 -1.378 1.00 0.29 C ATOM 148 N2 DG A 5 -1.778 -5.762 -0.554 1.00 0.30 N ATOM 149 N3 DG A 5 -0.696 -5.308 -2.531 1.00 0.32 N ATOM 150 C4 DG A 5 -0.111 -4.307 -3.223 1.00 0.33 C ATOM 0 H5' DG A 5 -2.455 -8.616 -5.277 1.00 0.57 H new ATOM 0 H5'' DG A 5 -2.080 -7.328 -4.149 1.00 0.57 H new ATOM 0 H4' DG A 5 -1.140 -7.624 -6.978 1.00 0.47 H new ATOM 0 H3' DG A 5 0.107 -8.888 -4.931 1.00 0.46 H new ATOM 0 H2' DG A 5 0.440 -6.903 -3.527 1.00 0.40 H new ATOM 0 H2'' DG A 5 1.971 -7.029 -4.371 1.00 0.40 H new ATOM 0 H1' DG A 5 1.405 -5.436 -5.972 1.00 0.41 H new ATOM 0 H8 DG A 5 1.482 -2.941 -5.686 1.00 0.38 H new ATOM 0 H1 DG A 5 -1.567 -3.367 -0.050 1.00 0.28 H new ATOM 0 H21 DG A 5 -1.852 -6.744 -0.820 1.00 0.30 H new ATOM 0 H22 DG A 5 -2.153 -5.446 0.340 1.00 0.30 H new ATOM 162 P DG A 6 2.597 -8.993 -6.205 1.00 0.74 P ATOM 163 OP1 DG A 6 3.151 -9.432 -7.511 1.00 0.99 O ATOM 164 OP2 DG A 6 2.370 -9.995 -5.133 1.00 0.91 O ATOM 165 O5' DG A 6 3.542 -7.844 -5.631 1.00 0.67 O ATOM 166 C5' DG A 6 4.192 -6.917 -6.505 1.00 0.61 C ATOM 167 C4' DG A 6 5.237 -6.127 -5.751 1.00 0.42 C ATOM 168 O4' DG A 6 4.577 -5.295 -4.766 1.00 0.35 O ATOM 169 C3' DG A 6 6.251 -6.967 -4.959 1.00 0.40 C ATOM 170 O3' DG A 6 7.565 -6.381 -4.964 1.00 0.43 O ATOM 171 C2' DG A 6 5.712 -6.893 -3.542 1.00 0.33 C ATOM 172 C1' DG A 6 5.273 -5.446 -3.549 1.00 0.23 C ATOM 173 N9 DG A 6 4.403 -4.998 -2.466 1.00 0.22 N ATOM 174 C8 DG A 6 3.474 -5.715 -1.746 1.00 0.29 C ATOM 175 N7 DG A 6 2.899 -5.012 -0.809 1.00 0.32 N ATOM 176 C5 DG A 6 3.470 -3.751 -0.929 1.00 0.25 C ATOM 177 C6 DG A 6 3.247 -2.559 -0.189 1.00 0.24 C ATOM 178 O6 DG A 6 2.462 -2.359 0.746 1.00 0.31 O ATOM 179 N1 DG A 6 4.044 -1.520 -0.647 1.00 0.19 N ATOM 180 C2 DG A 6 4.922 -1.599 -1.693 1.00 0.19 C ATOM 181 N2 DG A 6 5.568 -0.474 -2.005 1.00 0.26 N ATOM 182 N3 DG A 6 5.144 -2.697 -2.387 1.00 0.20 N ATOM 183 C4 DG A 6 4.390 -3.727 -1.953 1.00 0.20 C ATOM 0 H5' DG A 6 3.457 -6.239 -6.938 1.00 0.61 H new ATOM 0 H5'' DG A 6 4.658 -7.453 -7.332 1.00 0.61 H new ATOM 0 H4' DG A 6 5.777 -5.579 -6.523 1.00 0.42 H new ATOM 0 H3' DG A 6 6.353 -7.970 -5.374 1.00 0.40 H new ATOM 0 H2' DG A 6 4.888 -7.585 -3.365 1.00 0.33 H new ATOM 0 H2'' DG A 6 6.471 -7.102 -2.788 1.00 0.33 H new ATOM 0 H1' DG A 6 6.168 -4.838 -3.419 1.00 0.23 H new ATOM 0 H8 DG A 6 3.245 -6.753 -1.937 1.00 0.29 H new ATOM 0 H1 DG A 6 3.969 -0.624 -0.165 1.00 0.19 H new ATOM 0 H21 DG A 6 6.237 -0.467 -2.775 1.00 0.26 H new ATOM 0 H22 DG A 6 5.393 0.379 -1.473 1.00 0.26 H new ATOM 195 P DT A 7 8.287 -6.000 -6.351 1.00 0.56 P ATOM 196 OP1 DT A 7 7.439 -6.431 -7.492 1.00 1.46 O ATOM 197 OP2 DT A 7 9.682 -6.500 -6.251 1.00 1.50 O ATOM 198 O5' DT A 7 8.332 -4.404 -6.328 1.00 1.25 O ATOM 199 C5' DT A 7 9.576 -3.689 -6.339 1.00 1.44 C ATOM 200 C4' DT A 7 9.561 -2.582 -5.308 1.00 0.88 C ATOM 201 O4' DT A 7 9.942 -1.351 -5.959 1.00 0.75 O ATOM 202 C3' DT A 7 8.206 -2.307 -4.642 1.00 0.67 C ATOM 203 O3' DT A 7 8.214 -2.757 -3.269 1.00 0.66 O ATOM 204 C2' DT A 7 8.005 -0.800 -4.764 1.00 0.70 C ATOM 205 C1' DT A 7 9.332 -0.269 -5.294 1.00 0.74 C ATOM 206 N1 DT A 7 9.246 0.858 -6.251 1.00 1.09 N ATOM 207 C2 DT A 7 10.314 1.727 -6.291 1.00 1.59 C ATOM 208 O2 DT A 7 11.296 1.609 -5.577 1.00 1.83 O ATOM 209 N3 DT A 7 10.193 2.743 -7.199 1.00 1.92 N ATOM 210 C4 DT A 7 9.140 2.975 -8.054 1.00 1.87 C ATOM 211 O4 DT A 7 9.178 3.931 -8.822 1.00 2.24 O ATOM 212 C5 DT A 7 8.050 2.030 -7.963 1.00 1.50 C ATOM 213 C7 DT A 7 6.882 2.186 -8.885 1.00 1.70 C ATOM 214 C6 DT A 7 8.148 1.031 -7.072 1.00 1.14 C ATOM 0 H5' DT A 7 9.752 -3.269 -7.329 1.00 1.44 H new ATOM 0 H5'' DT A 7 10.398 -4.375 -6.133 1.00 1.44 H new ATOM 0 H4' DT A 7 10.243 -2.918 -4.526 1.00 0.88 H new ATOM 0 H3' DT A 7 7.385 -2.846 -5.115 1.00 0.67 H new ATOM 0 H2' DT A 7 7.186 -0.564 -5.443 1.00 0.70 H new ATOM 0 H2'' DT A 7 7.758 -0.355 -3.800 1.00 0.70 H new ATOM 0 H1' DT A 7 9.882 0.125 -4.439 1.00 0.74 H new ATOM 0 H3 DT A 7 10.970 3.402 -7.248 1.00 1.92 H new ATOM 0 H71 DT A 7 6.446 1.208 -9.089 1.00 1.70 H new ATOM 0 H72 DT A 7 6.133 2.826 -8.419 1.00 1.70 H new ATOM 0 H73 DT A 7 7.214 2.637 -9.820 1.00 1.70 H new ATOM 0 H6 DT A 7 7.331 0.330 -6.993 1.00 1.14 H new ATOM 227 P DG A 8 8.970 -1.911 -2.116 1.00 0.73 P ATOM 228 OP1 DG A 8 9.701 -0.751 -2.674 1.00 1.11 O ATOM 229 OP2 DG A 8 9.707 -2.910 -1.302 1.00 0.99 O ATOM 230 O5' DG A 8 7.781 -1.348 -1.216 1.00 0.74 O ATOM 231 C5' DG A 8 8.005 -0.328 -0.236 1.00 0.43 C ATOM 232 C4' DG A 8 7.700 -0.856 1.147 1.00 0.31 C ATOM 233 O4' DG A 8 6.637 -1.837 1.049 1.00 0.34 O ATOM 234 C3' DG A 8 8.875 -1.569 1.826 1.00 0.39 C ATOM 235 O3' DG A 8 8.954 -1.229 3.216 1.00 0.38 O ATOM 236 C2' DG A 8 8.539 -3.037 1.669 1.00 0.40 C ATOM 237 C1' DG A 8 7.022 -2.999 1.754 1.00 0.35 C ATOM 238 N9 DG A 8 6.406 -4.154 1.118 1.00 0.43 N ATOM 239 C8 DG A 8 6.683 -4.628 -0.137 1.00 0.47 C ATOM 240 N7 DG A 8 6.023 -5.714 -0.435 1.00 0.57 N ATOM 241 C5 DG A 8 5.249 -5.962 0.693 1.00 0.61 C ATOM 242 C6 DG A 8 4.323 -7.004 0.964 1.00 0.75 C ATOM 243 O6 DG A 8 3.992 -7.950 0.240 1.00 0.84 O ATOM 244 N1 DG A 8 3.760 -6.871 2.229 1.00 0.81 N ATOM 245 C2 DG A 8 4.049 -5.867 3.118 1.00 0.75 C ATOM 246 N2 DG A 8 3.400 -5.909 4.288 1.00 0.86 N ATOM 247 N3 DG A 8 4.909 -4.892 2.880 1.00 0.60 N ATOM 248 C4 DG A 8 5.468 -5.001 1.656 1.00 0.54 C ATOM 0 H5' DG A 8 7.376 0.536 -0.450 1.00 0.43 H new ATOM 0 H5'' DG A 8 9.040 0.011 -0.284 1.00 0.43 H new ATOM 0 H4' DG A 8 7.440 0.019 1.743 1.00 0.31 H new ATOM 0 H3' DG A 8 9.836 -1.294 1.390 1.00 0.39 H new ATOM 0 H2' DG A 8 8.889 -3.441 0.719 1.00 0.40 H new ATOM 0 H2'' DG A 8 8.981 -3.648 2.456 1.00 0.40 H new ATOM 0 H1' DG A 8 6.704 -3.003 2.797 1.00 0.35 H new ATOM 0 H8 DG A 8 7.378 -4.151 -0.812 1.00 0.47 H new ATOM 0 H1 DG A 8 3.080 -7.574 2.518 1.00 0.81 H new ATOM 0 H21 DG A 8 3.571 -5.191 4.992 1.00 0.86 H new ATOM 0 H22 DG A 8 2.735 -6.659 4.475 1.00 0.86 H new ATOM 260 P DT A 9 9.371 0.261 3.654 1.00 0.45 P ATOM 261 OP1 DT A 9 10.552 0.654 2.844 1.00 0.60 O ATOM 262 OP2 DT A 9 9.452 0.299 5.137 1.00 0.62 O ATOM 263 O5' DT A 9 8.128 1.148 3.200 1.00 0.37 O ATOM 264 C5' DT A 9 8.297 2.513 2.820 1.00 0.45 C ATOM 265 C4' DT A 9 7.757 3.427 3.893 1.00 0.40 C ATOM 266 O4' DT A 9 6.524 2.889 4.415 1.00 0.42 O ATOM 267 C3' DT A 9 8.667 3.631 5.112 1.00 0.40 C ATOM 268 O3' DT A 9 9.207 4.970 5.141 1.00 0.56 O ATOM 269 C2' DT A 9 7.761 3.373 6.314 1.00 0.37 C ATOM 270 C1' DT A 9 6.368 3.393 5.718 1.00 0.41 C ATOM 271 N1 DT A 9 5.331 2.587 6.396 1.00 0.45 N ATOM 272 C2 DT A 9 4.214 3.276 6.810 1.00 0.59 C ATOM 273 O2 DT A 9 4.104 4.486 6.708 1.00 0.67 O ATOM 274 N3 DT A 9 3.229 2.503 7.351 1.00 0.65 N ATOM 275 C4 DT A 9 3.235 1.138 7.508 1.00 0.60 C ATOM 276 O4 DT A 9 2.258 0.580 7.998 1.00 0.70 O ATOM 277 C5 DT A 9 4.435 0.464 7.065 1.00 0.47 C ATOM 278 C7 DT A 9 4.388 -1.027 6.934 1.00 0.44 C ATOM 279 C6 DT A 9 5.444 1.216 6.576 1.00 0.39 C ATOM 0 H5' DT A 9 7.781 2.702 1.879 1.00 0.45 H new ATOM 0 H5'' DT A 9 9.353 2.723 2.652 1.00 0.45 H new ATOM 0 H4' DT A 9 7.648 4.387 3.388 1.00 0.40 H new ATOM 0 H3' DT A 9 9.531 2.966 5.098 1.00 0.40 H new ATOM 0 H2' DT A 9 7.982 2.415 6.785 1.00 0.37 H new ATOM 0 H2'' DT A 9 7.881 4.140 7.079 1.00 0.37 H new ATOM 0 H1' DT A 9 6.001 4.416 5.802 1.00 0.41 H new ATOM 0 H3 DT A 9 2.395 2.993 7.675 1.00 0.65 H new ATOM 0 H71 DT A 9 5.072 -1.345 6.147 1.00 0.44 H new ATOM 0 H72 DT A 9 4.683 -1.485 7.878 1.00 0.44 H new ATOM 0 H73 DT A 9 3.374 -1.338 6.681 1.00 0.44 H new ATOM 0 H6 DT A 9 6.374 0.732 6.315 1.00 0.39 H new ATOM 292 P DG A 10 8.310 6.233 4.681 1.00 0.48 P ATOM 293 OP1 DG A 10 9.192 7.426 4.757 1.00 0.91 O ATOM 294 OP2 DG A 10 7.036 6.221 5.441 1.00 0.96 O ATOM 295 O5' DG A 10 7.999 5.967 3.138 1.00 0.45 O ATOM 296 C5' DG A 10 6.686 6.160 2.593 1.00 0.64 C ATOM 297 C4' DG A 10 6.772 6.781 1.220 1.00 0.42 C ATOM 298 O4' DG A 10 6.897 5.723 0.245 1.00 0.37 O ATOM 299 C3' DG A 10 5.538 7.578 0.805 1.00 0.45 C ATOM 300 O3' DG A 10 5.885 8.671 -0.068 1.00 0.54 O ATOM 301 C2' DG A 10 4.672 6.545 0.105 1.00 0.42 C ATOM 302 C1' DG A 10 5.664 5.516 -0.427 1.00 0.33 C ATOM 303 N9 DG A 10 5.268 4.127 -0.214 1.00 0.27 N ATOM 304 C8 DG A 10 5.679 3.040 -0.938 1.00 0.28 C ATOM 305 N7 DG A 10 5.142 1.919 -0.538 1.00 0.28 N ATOM 306 C5 DG A 10 4.336 2.290 0.529 1.00 0.22 C ATOM 307 C6 DG A 10 3.503 1.509 1.376 1.00 0.21 C ATOM 308 O6 DG A 10 3.291 0.297 1.363 1.00 0.23 O ATOM 309 N1 DG A 10 2.873 2.286 2.324 1.00 0.25 N ATOM 310 C2 DG A 10 3.013 3.643 2.459 1.00 0.33 C ATOM 311 N2 DG A 10 2.321 4.211 3.448 1.00 0.42 N ATOM 312 N3 DG A 10 3.777 4.387 1.682 1.00 0.32 N ATOM 313 C4 DG A 10 4.407 3.650 0.744 1.00 0.25 C ATOM 0 H5' DG A 10 6.102 6.801 3.253 1.00 0.64 H new ATOM 0 H5'' DG A 10 6.165 5.204 2.535 1.00 0.64 H new ATOM 0 H4' DG A 10 7.623 7.461 1.261 1.00 0.42 H new ATOM 0 H3' DG A 10 5.030 8.048 1.647 1.00 0.45 H new ATOM 0 H2' DG A 10 3.960 6.091 0.794 1.00 0.42 H new ATOM 0 H2'' DG A 10 4.093 6.993 -0.702 1.00 0.42 H new ATOM 0 H1' DG A 10 5.723 5.662 -1.506 1.00 0.33 H new ATOM 0 H8 DG A 10 6.378 3.103 -1.759 1.00 0.28 H new ATOM 0 H1 DG A 10 2.251 1.812 2.979 1.00 0.25 H new ATOM 0 H21 DG A 10 2.382 5.218 3.601 1.00 0.42 H new ATOM 0 H22 DG A 10 1.730 3.639 4.051 1.00 0.42 H new ATOM 325 P DG A 11 6.568 8.392 -1.503 1.00 1.09 P ATOM 326 OP1 DG A 11 7.811 7.611 -1.284 1.00 1.86 O ATOM 327 OP2 DG A 11 6.642 9.694 -2.215 1.00 1.89 O ATOM 328 O5' DG A 11 5.525 7.468 -2.277 1.00 0.79 O ATOM 329 C5' DG A 11 4.415 8.035 -2.977 1.00 0.84 C ATOM 330 C4' DG A 11 4.060 7.184 -4.174 1.00 0.51 C ATOM 331 O4' DG A 11 3.712 5.854 -3.718 1.00 0.56 O ATOM 332 C3' DG A 11 2.859 7.692 -4.971 1.00 0.42 C ATOM 333 O3' DG A 11 3.084 7.554 -6.377 1.00 0.43 O ATOM 334 C2' DG A 11 1.718 6.794 -4.528 1.00 0.38 C ATOM 335 C1' DG A 11 2.407 5.503 -4.144 1.00 0.40 C ATOM 336 N9 DG A 11 1.752 4.793 -3.050 1.00 0.35 N ATOM 337 C8 DG A 11 1.288 5.348 -1.884 1.00 0.34 C ATOM 338 N7 DG A 11 0.753 4.476 -1.074 1.00 0.30 N ATOM 339 C5 DG A 11 0.870 3.268 -1.746 1.00 0.30 C ATOM 340 C6 DG A 11 0.472 1.959 -1.362 1.00 0.29 C ATOM 341 O6 DG A 11 -0.058 1.587 -0.304 1.00 0.27 O ATOM 342 N1 DG A 11 0.759 1.028 -2.354 1.00 0.31 N ATOM 343 C2 DG A 11 1.372 1.313 -3.550 1.00 0.35 C ATOM 344 N2 DG A 11 1.567 0.280 -4.373 1.00 0.39 N ATOM 345 N3 DG A 11 1.762 2.523 -3.913 1.00 0.36 N ATOM 346 C4 DG A 11 1.479 3.447 -2.972 1.00 0.33 C ATOM 0 H5' DG A 11 4.659 9.047 -3.301 1.00 0.84 H new ATOM 0 H5'' DG A 11 3.557 8.112 -2.310 1.00 0.84 H new ATOM 0 H4' DG A 11 4.936 7.209 -4.822 1.00 0.51 H new ATOM 0 H3' DG A 11 2.661 8.749 -4.795 1.00 0.42 H new ATOM 0 H2' DG A 11 1.174 7.223 -3.687 1.00 0.38 H new ATOM 0 H2'' DG A 11 0.996 6.639 -5.329 1.00 0.38 H new ATOM 0 H1' DG A 11 2.389 4.837 -5.007 1.00 0.40 H new ATOM 0 H8 DG A 11 1.359 6.402 -1.659 1.00 0.34 H new ATOM 0 H1 DG A 11 0.494 0.058 -2.180 1.00 0.31 H new ATOM 0 H21 DG A 11 2.017 0.426 -5.277 1.00 0.39 H new ATOM 0 H22 DG A 11 1.266 -0.655 -4.098 1.00 0.39 H new ATOM 358 P DT A 12 2.095 8.284 -7.416 1.00 0.80 P ATOM 359 OP1 DT A 12 0.988 7.346 -7.735 1.00 1.14 O ATOM 360 OP2 DT A 12 2.928 8.837 -8.514 1.00 1.16 O ATOM 361 O5' DT A 12 1.494 9.506 -6.585 1.00 0.63 O ATOM 362 C5' DT A 12 0.208 10.051 -6.894 1.00 0.67 C ATOM 363 C4' DT A 12 -0.614 10.206 -5.634 1.00 0.60 C ATOM 364 O4' DT A 12 -2.009 10.001 -5.957 1.00 0.66 O ATOM 365 C3' DT A 12 -0.307 9.201 -4.528 1.00 0.43 C ATOM 366 O3' DT A 12 -0.586 9.763 -3.241 1.00 0.51 O ATOM 367 C2' DT A 12 -1.256 8.060 -4.834 1.00 0.40 C ATOM 368 C1' DT A 12 -2.473 8.775 -5.401 1.00 0.56 C ATOM 369 N1 DT A 12 -3.168 8.034 -6.467 1.00 0.58 N ATOM 370 C2 DT A 12 -4.542 8.089 -6.513 1.00 0.78 C ATOM 371 O2 DT A 12 -5.212 8.708 -5.704 1.00 0.94 O ATOM 372 N3 DT A 12 -5.107 7.390 -7.545 1.00 0.82 N ATOM 373 C4 DT A 12 -4.452 6.663 -8.515 1.00 0.70 C ATOM 374 O4 DT A 12 -5.099 6.087 -9.384 1.00 0.79 O ATOM 375 C5 DT A 12 -3.010 6.647 -8.408 1.00 0.52 C ATOM 376 C7 DT A 12 -2.213 5.957 -9.470 1.00 0.51 C ATOM 377 C6 DT A 12 -2.443 7.315 -7.393 1.00 0.46 C ATOM 0 H5' DT A 12 -0.311 9.399 -7.597 1.00 0.67 H new ATOM 0 H5'' DT A 12 0.324 11.019 -7.382 1.00 0.67 H new ATOM 0 H4' DT A 12 -0.371 11.204 -5.268 1.00 0.60 H new ATOM 0 H3' DT A 12 0.739 8.896 -4.499 1.00 0.43 H new ATOM 0 H2' DT A 12 -0.828 7.360 -5.551 1.00 0.40 H new ATOM 0 H2'' DT A 12 -1.503 7.489 -3.939 1.00 0.40 H new ATOM 0 H1' DT A 12 -3.189 8.898 -4.589 1.00 0.56 H new ATOM 0 H3 DT A 12 -6.125 7.409 -7.602 1.00 0.82 H new ATOM 0 H71 DT A 12 -1.243 6.443 -9.570 1.00 0.51 H new ATOM 0 H72 DT A 12 -2.069 4.912 -9.195 1.00 0.51 H new ATOM 0 H73 DT A 12 -2.746 6.012 -10.419 1.00 0.51 H new ATOM 0 H6 DT A 12 -1.368 7.288 -7.296 1.00 0.46 H new ATOM 390 P DT A 13 -0.078 9.008 -1.915 1.00 0.53 P ATOM 391 OP1 DT A 13 -0.874 9.534 -0.779 1.00 0.92 O ATOM 392 OP2 DT A 13 1.404 9.095 -1.874 1.00 0.71 O ATOM 393 O5' DT A 13 -0.475 7.484 -2.166 1.00 0.40 O ATOM 394 C5' DT A 13 -1.394 6.802 -1.308 1.00 0.37 C ATOM 395 C4' DT A 13 -2.761 6.746 -1.948 1.00 0.28 C ATOM 396 O4' DT A 13 -2.683 5.956 -3.157 1.00 0.28 O ATOM 397 C3' DT A 13 -3.851 6.094 -1.087 1.00 0.30 C ATOM 398 O3' DT A 13 -4.905 7.030 -0.829 1.00 0.40 O ATOM 399 C2' DT A 13 -4.373 4.944 -1.938 1.00 0.31 C ATOM 400 C1' DT A 13 -3.931 5.331 -3.334 1.00 0.32 C ATOM 401 N1 DT A 13 -3.760 4.213 -4.286 1.00 0.36 N ATOM 402 C2 DT A 13 -4.525 4.237 -5.431 1.00 0.44 C ATOM 403 O2 DT A 13 -5.312 5.132 -5.687 1.00 0.47 O ATOM 404 N3 DT A 13 -4.334 3.173 -6.269 1.00 0.50 N ATOM 405 C4 DT A 13 -3.479 2.110 -6.086 1.00 0.49 C ATOM 406 O4 DT A 13 -3.427 1.219 -6.927 1.00 0.57 O ATOM 407 C5 DT A 13 -2.703 2.143 -4.868 1.00 0.41 C ATOM 408 C7 DT A 13 -1.787 0.998 -4.566 1.00 0.43 C ATOM 409 C6 DT A 13 -2.872 3.183 -4.035 1.00 0.35 C ATOM 0 H5' DT A 13 -1.455 7.314 -0.348 1.00 0.37 H new ATOM 0 H5'' DT A 13 -1.036 5.792 -1.109 1.00 0.37 H new ATOM 0 H4' DT A 13 -3.038 7.787 -2.114 1.00 0.28 H new ATOM 0 H3' DT A 13 -3.473 5.762 -0.120 1.00 0.30 H new ATOM 0 H2' DT A 13 -3.949 3.988 -1.630 1.00 0.31 H new ATOM 0 H2'' DT A 13 -5.457 4.849 -1.869 1.00 0.31 H new ATOM 0 H1' DT A 13 -4.710 5.953 -3.776 1.00 0.32 H new ATOM 0 H3 DT A 13 -4.887 3.167 -7.126 1.00 0.50 H new ATOM 0 H71 DT A 13 -2.191 0.084 -5.001 1.00 0.43 H new ATOM 0 H72 DT A 13 -0.803 1.197 -4.990 1.00 0.43 H new ATOM 0 H73 DT A 13 -1.699 0.878 -3.486 1.00 0.43 H new ATOM 0 H6 DT A 13 -2.288 3.216 -3.127 1.00 0.35 H new ATOM 422 P DG A 14 -4.701 8.184 0.274 1.00 0.63 P ATOM 423 OP1 DG A 14 -5.944 8.996 0.296 1.00 1.34 O ATOM 424 OP2 DG A 14 -3.397 8.848 0.024 1.00 1.05 O ATOM 425 O5' DG A 14 -4.604 7.394 1.655 1.00 0.55 O ATOM 426 C5' DG A 14 -3.787 7.875 2.726 1.00 0.42 C ATOM 427 C4' DG A 14 -4.503 7.710 4.046 1.00 0.31 C ATOM 428 O4' DG A 14 -4.974 6.346 4.162 1.00 0.28 O ATOM 429 C3' DG A 14 -3.639 7.934 5.284 1.00 0.38 C ATOM 430 O3' DG A 14 -4.456 8.357 6.385 1.00 0.48 O ATOM 431 C2' DG A 14 -3.057 6.555 5.528 1.00 0.31 C ATOM 432 C1' DG A 14 -4.206 5.642 5.132 1.00 0.27 C ATOM 433 N9 DG A 14 -3.802 4.374 4.536 1.00 0.23 N ATOM 434 C8 DG A 14 -4.269 3.127 4.863 1.00 0.23 C ATOM 435 N7 DG A 14 -3.760 2.177 4.127 1.00 0.22 N ATOM 436 C5 DG A 14 -2.883 2.837 3.276 1.00 0.22 C ATOM 437 C6 DG A 14 -2.037 2.332 2.253 1.00 0.23 C ATOM 438 O6 DG A 14 -1.868 1.157 1.896 1.00 0.24 O ATOM 439 N1 DG A 14 -1.336 3.354 1.622 1.00 0.24 N ATOM 440 C2 DG A 14 -1.397 4.681 1.964 1.00 0.25 C ATOM 441 N2 DG A 14 -0.593 5.505 1.282 1.00 0.28 N ATOM 442 N3 DG A 14 -2.179 5.165 2.913 1.00 0.25 N ATOM 443 C4 DG A 14 -2.893 4.194 3.520 1.00 0.23 C ATOM 0 H5' DG A 14 -3.545 8.925 2.564 1.00 0.42 H new ATOM 0 H5'' DG A 14 -2.843 7.330 2.746 1.00 0.42 H new ATOM 0 H4' DG A 14 -5.289 8.465 4.027 1.00 0.31 H new ATOM 0 H3' DG A 14 -2.878 8.705 5.165 1.00 0.38 H new ATOM 0 H2' DG A 14 -2.168 6.376 4.923 1.00 0.31 H new ATOM 0 H2'' DG A 14 -2.767 6.415 6.569 1.00 0.31 H new ATOM 0 H1' DG A 14 -4.749 5.394 6.044 1.00 0.27 H new ATOM 0 H8 DG A 14 -4.986 2.949 5.651 1.00 0.23 H new ATOM 0 H1 DG A 14 -0.729 3.097 0.844 1.00 0.24 H new ATOM 0 H21 DG A 14 -0.592 6.504 1.489 1.00 0.28 H new ATOM 0 H22 DG A 14 0.019 5.134 0.555 1.00 0.28 H new ATOM 455 P DG A 15 -3.793 8.596 7.831 1.00 0.90 P ATOM 456 OP1 DG A 15 -4.817 9.211 8.714 1.00 1.69 O ATOM 457 OP2 DG A 15 -2.498 9.291 7.616 1.00 1.84 O ATOM 458 O5' DG A 15 -3.496 7.124 8.365 1.00 0.68 O ATOM 459 C5' DG A 15 -2.215 6.774 8.892 1.00 0.48 C ATOM 460 C4' DG A 15 -2.225 5.342 9.375 1.00 0.40 C ATOM 461 O4' DG A 15 -2.015 4.460 8.244 1.00 0.37 O ATOM 462 C3' DG A 15 -1.127 5.000 10.387 1.00 0.49 C ATOM 463 O3' DG A 15 -1.652 4.215 11.461 1.00 0.57 O ATOM 464 C2' DG A 15 -0.133 4.180 9.582 1.00 0.52 C ATOM 465 C1' DG A 15 -1.039 3.496 8.584 1.00 0.43 C ATOM 466 N9 DG A 15 -0.390 3.054 7.354 1.00 0.40 N ATOM 467 C8 DG A 15 0.257 3.826 6.419 1.00 0.43 C ATOM 468 N7 DG A 15 0.728 3.134 5.418 1.00 0.42 N ATOM 469 C5 DG A 15 0.374 1.824 5.711 1.00 0.36 C ATOM 470 C6 DG A 15 0.612 0.621 4.994 1.00 0.32 C ATOM 471 O6 DG A 15 1.198 0.463 3.913 1.00 0.32 O ATOM 472 N1 DG A 15 0.085 -0.479 5.659 1.00 0.33 N ATOM 473 C2 DG A 15 -0.588 -0.433 6.853 1.00 0.38 C ATOM 474 N2 DG A 15 -1.020 -1.602 7.336 1.00 0.44 N ATOM 475 N3 DG A 15 -0.821 0.676 7.527 1.00 0.38 N ATOM 476 C4 DG A 15 -0.315 1.759 6.904 1.00 0.37 C ATOM 0 H5' DG A 15 -1.957 7.441 9.714 1.00 0.48 H new ATOM 0 H5'' DG A 15 -1.451 6.902 8.126 1.00 0.48 H new ATOM 0 H4' DG A 15 -3.191 5.213 9.864 1.00 0.40 H new ATOM 0 H3' DG A 15 -0.686 5.889 10.838 1.00 0.49 H new ATOM 0 H2' DG A 15 0.615 4.806 9.095 1.00 0.52 H new ATOM 0 H2'' DG A 15 0.406 3.465 10.203 1.00 0.52 H new ATOM 0 HO3' DG A 15 -0.934 4.006 12.095 1.00 0.57 H new ATOM 0 H1' DG A 15 -1.425 2.588 9.046 1.00 0.43 H new ATOM 0 H8 DG A 15 0.365 4.897 6.504 1.00 0.43 H new ATOM 0 H1 DG A 15 0.208 -1.394 5.225 1.00 0.33 H new ATOM 0 H21 DG A 15 -1.527 -1.632 8.220 1.00 0.44 H new ATOM 0 H22 DG A 15 -0.842 -2.464 6.820 1.00 0.44 H new TER 489 DG A 15