USER MOD reduce.3.24.130724 H: found=0, std=0, add=222, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 222 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 DA O5' : rot 29:sc= 0.0014 USER MOD Single : A 12 DT C7 :methyl 150:sc= -3.21! (180deg=-3.21!) USER MOD Single : A 20 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 2.862 7.796 -6.995 1.00 0.25 O ATOM 2 C5' DA A 1 3.167 6.500 -7.515 1.00 0.18 C ATOM 3 C4' DA A 1 2.024 5.518 -7.263 1.00 0.15 C ATOM 4 O4' DA A 1 1.797 5.400 -5.853 1.00 0.14 O ATOM 5 C3' DA A 1 0.690 5.932 -7.898 1.00 0.16 C ATOM 6 O3' DA A 1 0.070 4.788 -8.499 1.00 0.17 O ATOM 7 C2' DA A 1 -0.144 6.397 -6.714 1.00 0.16 C ATOM 8 C1' DA A 1 0.393 5.494 -5.624 1.00 0.13 C ATOM 9 N9 DA A 1 0.183 5.989 -4.255 1.00 0.14 N ATOM 10 C8 DA A 1 1.027 5.906 -3.182 1.00 0.17 C ATOM 11 N7 DA A 1 0.534 6.402 -2.085 1.00 0.18 N ATOM 12 C5 DA A 1 -0.728 6.848 -2.452 1.00 0.22 C ATOM 13 C6 DA A 1 -1.759 7.476 -1.734 1.00 0.33 C ATOM 14 N6 DA A 1 -1.675 7.768 -0.432 1.00 0.35 N ATOM 15 N1 DA A 1 -2.879 7.785 -2.410 1.00 0.45 N ATOM 16 C2 DA A 1 -2.957 7.487 -3.703 1.00 0.45 C ATOM 17 N3 DA A 1 -2.062 6.899 -4.483 1.00 0.35 N ATOM 18 C4 DA A 1 -0.951 6.603 -3.777 1.00 0.23 C ATOM 0 H5' DA A 1 4.080 6.126 -7.052 1.00 0.18 H new ATOM 0 H5'' DA A 1 3.359 6.571 -8.586 1.00 0.18 H new ATOM 0 H4' DA A 1 2.340 4.580 -7.721 1.00 0.15 H new ATOM 0 H3' DA A 1 0.801 6.693 -8.670 1.00 0.16 H new ATOM 0 H2' DA A 1 0.008 7.453 -6.490 1.00 0.16 H new ATOM 0 H2'' DA A 1 -1.212 6.257 -6.879 1.00 0.16 H new ATOM 0 HO5' DA A 1 2.259 7.707 -6.228 1.00 0.25 H new ATOM 0 H1' DA A 1 -0.140 4.545 -5.679 1.00 0.13 H new ATOM 0 H8 DA A 1 2.013 5.469 -3.240 1.00 0.17 H new ATOM 0 H61 DA A 1 -2.455 8.225 0.040 1.00 0.35 H new ATOM 0 H62 DA A 1 -0.830 7.534 0.090 1.00 0.35 H new ATOM 0 H2 DA A 1 -3.882 7.764 -4.187 1.00 0.45 H new ATOM 31 P DG A 2 0.477 4.298 -9.979 1.00 0.19 P ATOM 32 OP1 DG A 2 0.369 5.451 -10.898 1.00 0.25 O ATOM 33 OP2 DG A 2 -0.264 3.052 -10.273 1.00 0.24 O ATOM 34 O5' DG A 2 2.035 3.928 -9.819 1.00 0.20 O ATOM 35 C5' DG A 2 3.011 4.497 -10.698 1.00 0.16 C ATOM 36 C4' DG A 2 4.384 3.864 -10.491 1.00 0.17 C ATOM 37 O4' DG A 2 4.748 3.952 -9.105 1.00 0.18 O ATOM 38 C3' DG A 2 4.444 2.385 -10.874 1.00 0.18 C ATOM 39 O3' DG A 2 5.724 2.096 -11.457 1.00 0.20 O ATOM 40 C2' DG A 2 4.307 1.676 -9.538 1.00 0.18 C ATOM 41 C1' DG A 2 5.061 2.638 -8.639 1.00 0.18 C ATOM 42 N9 DG A 2 4.697 2.555 -7.211 1.00 0.16 N ATOM 43 C8 DG A 2 5.525 2.459 -6.123 1.00 0.17 C ATOM 44 N7 DG A 2 4.897 2.376 -4.982 1.00 0.17 N ATOM 45 C5 DG A 2 3.552 2.423 -5.338 1.00 0.14 C ATOM 46 C6 DG A 2 2.391 2.371 -4.518 1.00 0.13 C ATOM 47 O6 DG A 2 2.324 2.275 -3.296 1.00 0.16 O ATOM 48 N1 DG A 2 1.230 2.446 -5.274 1.00 0.11 N ATOM 49 C2 DG A 2 1.187 2.560 -6.648 1.00 0.12 C ATOM 50 N2 DG A 2 -0.027 2.623 -7.196 1.00 0.12 N ATOM 51 N3 DG A 2 2.275 2.607 -7.421 1.00 0.14 N ATOM 52 C4 DG A 2 3.420 2.533 -6.700 1.00 0.14 C ATOM 0 H5' DG A 2 3.075 5.572 -10.527 1.00 0.16 H new ATOM 0 H5'' DG A 2 2.697 4.357 -11.732 1.00 0.16 H new ATOM 0 H4' DG A 2 5.064 4.415 -11.140 1.00 0.17 H new ATOM 0 H3' DG A 2 3.684 2.087 -11.596 1.00 0.18 H new ATOM 0 H2' DG A 2 3.266 1.556 -9.237 1.00 0.18 H new ATOM 0 H2'' DG A 2 4.753 0.681 -9.548 1.00 0.18 H new ATOM 0 H1' DG A 2 6.120 2.386 -8.693 1.00 0.18 H new ATOM 0 H8 DG A 2 6.602 2.453 -6.203 1.00 0.17 H new ATOM 0 H1 DG A 2 0.341 2.414 -4.776 1.00 0.11 H new ATOM 0 H21 DG A 2 -0.126 2.708 -8.208 1.00 0.12 H new ATOM 0 H22 DG A 2 -0.856 2.586 -6.604 1.00 0.12 H new ATOM 64 P DG A 3 6.066 0.622 -12.014 1.00 0.24 P ATOM 65 OP1 DG A 3 7.110 0.748 -13.055 1.00 0.31 O ATOM 66 OP2 DG A 3 4.791 -0.061 -12.328 1.00 0.28 O ATOM 67 O5' DG A 3 6.720 -0.099 -10.731 1.00 0.26 O ATOM 68 C5' DG A 3 8.102 0.090 -10.405 1.00 0.25 C ATOM 69 C4' DG A 3 8.492 -0.720 -9.172 1.00 0.23 C ATOM 70 O4' DG A 3 7.541 -0.478 -8.128 1.00 0.24 O ATOM 71 C3' DG A 3 8.528 -2.230 -9.417 1.00 0.23 C ATOM 72 O3' DG A 3 9.708 -2.785 -8.823 1.00 0.24 O ATOM 73 C2' DG A 3 7.293 -2.761 -8.707 1.00 0.23 C ATOM 74 C1' DG A 3 7.095 -1.730 -7.607 1.00 0.20 C ATOM 75 N9 DG A 3 5.688 -1.571 -7.188 1.00 0.19 N ATOM 76 C8 DG A 3 4.582 -1.350 -7.968 1.00 0.20 C ATOM 77 N7 DG A 3 3.468 -1.269 -7.297 1.00 0.19 N ATOM 78 C5 DG A 3 3.862 -1.449 -5.974 1.00 0.18 C ATOM 79 C6 DG A 3 3.080 -1.462 -4.787 1.00 0.19 C ATOM 80 O6 DG A 3 1.865 -1.317 -4.671 1.00 0.22 O ATOM 81 N1 DG A 3 3.867 -1.675 -3.663 1.00 0.19 N ATOM 82 C2 DG A 3 5.234 -1.851 -3.675 1.00 0.18 C ATOM 83 N2 DG A 3 5.816 -2.042 -2.491 1.00 0.21 N ATOM 84 N3 DG A 3 5.971 -1.838 -4.790 1.00 0.17 N ATOM 85 C4 DG A 3 5.220 -1.633 -5.898 1.00 0.17 C ATOM 0 H5' DG A 3 8.295 1.148 -10.225 1.00 0.25 H new ATOM 0 H5'' DG A 3 8.722 -0.208 -11.250 1.00 0.25 H new ATOM 0 H4' DG A 3 9.498 -0.398 -8.903 1.00 0.23 H new ATOM 0 H3' DG A 3 8.541 -2.485 -10.477 1.00 0.23 H new ATOM 0 H2' DG A 3 6.432 -2.818 -9.373 1.00 0.23 H new ATOM 0 H2'' DG A 3 7.452 -3.762 -8.305 1.00 0.23 H new ATOM 0 H1' DG A 3 7.651 -2.064 -6.731 1.00 0.20 H new ATOM 0 H8 DG A 3 4.630 -1.252 -9.042 1.00 0.20 H new ATOM 0 H1 DG A 3 3.397 -1.703 -2.758 1.00 0.19 H new ATOM 0 H21 DG A 3 6.825 -2.178 -2.435 1.00 0.21 H new ATOM 0 H22 DG A 3 5.252 -2.052 -1.641 1.00 0.21 H new ATOM 97 P DG A 4 10.042 -4.352 -8.987 1.00 0.21 P ATOM 98 OP1 DG A 4 11.506 -4.501 -9.148 1.00 0.25 O ATOM 99 OP2 DG A 4 9.127 -4.916 -10.005 1.00 0.28 O ATOM 100 O5' DG A 4 9.630 -4.954 -7.552 1.00 0.25 O ATOM 101 C5' DG A 4 10.473 -4.757 -6.414 1.00 0.27 C ATOM 102 C4' DG A 4 9.923 -5.467 -5.180 1.00 0.26 C ATOM 103 O4' DG A 4 8.629 -4.946 -4.866 1.00 0.24 O ATOM 104 C3' DG A 4 9.773 -6.984 -5.353 1.00 0.26 C ATOM 105 O3' DG A 4 10.413 -7.657 -4.262 1.00 0.32 O ATOM 106 C2' DG A 4 8.269 -7.228 -5.299 1.00 0.23 C ATOM 107 C1' DG A 4 7.796 -6.036 -4.491 1.00 0.22 C ATOM 108 N9 DG A 4 6.395 -5.652 -4.745 1.00 0.19 N ATOM 109 C8 DG A 4 5.800 -5.309 -5.930 1.00 0.19 C ATOM 110 N7 DG A 4 4.529 -5.041 -5.823 1.00 0.17 N ATOM 111 C5 DG A 4 4.261 -5.215 -4.470 1.00 0.14 C ATOM 112 C6 DG A 4 3.041 -5.065 -3.755 1.00 0.13 C ATOM 113 O6 DG A 4 1.938 -4.742 -4.189 1.00 0.17 O ATOM 114 N1 DG A 4 3.206 -5.338 -2.403 1.00 0.13 N ATOM 115 C2 DG A 4 4.400 -5.708 -1.812 1.00 0.17 C ATOM 116 N2 DG A 4 4.373 -5.926 -0.498 1.00 0.24 N ATOM 117 N3 DG A 4 5.544 -5.850 -2.485 1.00 0.18 N ATOM 118 C4 DG A 4 5.400 -5.589 -3.802 1.00 0.16 C ATOM 0 H5' DG A 4 10.567 -3.690 -6.210 1.00 0.27 H new ATOM 0 H5'' DG A 4 11.474 -5.129 -6.633 1.00 0.27 H new ATOM 0 H4' DG A 4 10.649 -5.287 -4.387 1.00 0.26 H new ATOM 0 H3' DG A 4 10.222 -7.349 -6.277 1.00 0.26 H new ATOM 0 H2' DG A 4 7.822 -7.253 -6.293 1.00 0.23 H new ATOM 0 H2'' DG A 4 8.024 -8.174 -4.816 1.00 0.23 H new ATOM 0 H1' DG A 4 7.853 -6.298 -3.435 1.00 0.22 H new ATOM 0 H8 DG A 4 6.335 -5.265 -6.867 1.00 0.19 H new ATOM 0 H1 DG A 4 2.386 -5.260 -1.802 1.00 0.13 H new ATOM 0 H21 DG A 4 5.225 -6.201 -0.009 1.00 0.24 H new ATOM 0 H22 DG A 4 3.501 -5.817 0.019 1.00 0.24 H new ATOM 130 P DI A 5 10.162 -7.188 -2.742 1.00 0.37 P ATOM 131 OP1 DI A 5 10.285 -5.714 -2.685 1.00 0.40 O ATOM 132 OP2 DI A 5 10.996 -8.030 -1.854 1.00 0.45 O ATOM 133 O5' DI A 5 8.618 -7.575 -2.497 1.00 0.33 O ATOM 134 C5' DI A 5 8.236 -8.929 -2.237 1.00 0.31 C ATOM 135 C4' DI A 5 6.786 -9.016 -1.764 1.00 0.25 C ATOM 136 O4' DI A 5 5.928 -8.439 -2.750 1.00 0.25 O ATOM 137 C3' DI A 5 6.296 -10.448 -1.517 1.00 0.25 C ATOM 138 O3' DI A 5 5.886 -10.591 -0.150 1.00 0.22 O ATOM 139 C2' DI A 5 5.090 -10.626 -2.441 1.00 0.27 C ATOM 140 C1' DI A 5 4.720 -9.192 -2.790 1.00 0.24 C ATOM 141 N9 DI A 5 4.136 -9.031 -4.135 1.00 0.29 N ATOM 142 C8 DI A 5 4.607 -9.493 -5.335 1.00 0.43 C ATOM 143 N7 DI A 5 3.857 -9.180 -6.354 1.00 0.46 N ATOM 144 C5 DI A 5 2.811 -8.456 -5.791 1.00 0.33 C ATOM 145 C6 DI A 5 1.684 -7.853 -6.410 1.00 0.32 C ATOM 146 O6 DI A 5 1.383 -7.839 -7.602 1.00 0.41 O ATOM 147 N1 DI A 5 0.876 -7.223 -5.478 1.00 0.25 N ATOM 148 C2 DI A 5 1.127 -7.182 -4.124 1.00 0.23 C ATOM 149 N3 DI A 5 2.170 -7.737 -3.531 1.00 0.21 N ATOM 150 C4 DI A 5 2.973 -8.360 -4.429 1.00 0.24 C ATOM 0 H5'' DI A 5 8.362 -9.525 -3.141 1.00 0.31 H new ATOM 0 H2'' DI A 5 5.342 -11.206 -3.329 1.00 0.27 H new ATOM 0 H8 DI A 5 5.527 -10.071 -5.429 1.00 0.43 H new ATOM 0 H5' DI A 5 8.894 -9.356 -1.480 1.00 0.31 H new ATOM 0 H4' DI A 5 6.753 -8.481 -0.815 1.00 0.25 H new ATOM 0 H3' DI A 5 7.073 -11.187 -1.711 1.00 0.25 H new ATOM 0 H2' DI A 5 4.271 -11.145 -1.943 1.00 0.27 H new ATOM 0 H2 DI A 5 0.412 -6.652 -3.495 1.00 0.23 H new ATOM 0 H1' DI A 5 3.964 -8.861 -2.078 1.00 0.24 H new ATOM 0 H1 DI A 5 0.035 -6.756 -5.818 1.00 0.25 H new ATOM 161 P DA A 6 4.877 -9.536 0.538 1.00 0.28 P ATOM 162 OP1 DA A 6 5.087 -8.212 -0.088 1.00 0.31 O ATOM 163 OP2 DA A 6 4.989 -9.680 2.007 1.00 0.39 O ATOM 164 O5' DA A 6 3.425 -10.076 0.092 1.00 0.30 O ATOM 165 C5' DA A 6 2.246 -9.363 0.478 1.00 0.33 C ATOM 166 C4' DA A 6 1.059 -9.701 -0.420 1.00 0.31 C ATOM 167 O4' DA A 6 1.524 -9.923 -1.755 1.00 0.27 O ATOM 168 C3' DA A 6 0.289 -10.952 -0.005 1.00 0.43 C ATOM 169 O3' DA A 6 -0.839 -10.602 0.812 1.00 0.46 O ATOM 170 C2' DA A 6 -0.220 -11.504 -1.327 1.00 0.45 C ATOM 171 C1' DA A 6 0.859 -11.067 -2.310 1.00 0.36 C ATOM 172 N9 DA A 6 1.882 -12.096 -2.581 1.00 0.41 N ATOM 173 C8 DA A 6 2.561 -12.893 -1.695 1.00 0.50 C ATOM 174 N7 DA A 6 3.406 -13.711 -2.261 1.00 0.54 N ATOM 175 C5 DA A 6 3.277 -13.435 -3.619 1.00 0.48 C ATOM 176 C6 DA A 6 3.904 -13.965 -4.759 1.00 0.50 C ATOM 177 N6 DA A 6 4.825 -14.927 -4.706 1.00 0.57 N ATOM 178 N1 DA A 6 3.541 -13.462 -5.951 1.00 0.47 N ATOM 179 C2 DA A 6 2.622 -12.504 -5.998 1.00 0.43 C ATOM 180 N3 DA A 6 1.966 -11.927 -5.004 1.00 0.40 N ATOM 181 C4 DA A 6 2.352 -12.452 -3.821 1.00 0.41 C ATOM 0 H5' DA A 6 2.440 -8.291 0.436 1.00 0.33 H new ATOM 0 H5'' DA A 6 1.999 -9.602 1.512 1.00 0.33 H new ATOM 0 H4' DA A 6 0.383 -8.850 -0.338 1.00 0.31 H new ATOM 0 H3' DA A 6 0.902 -11.649 0.565 1.00 0.43 H new ATOM 0 H2' DA A 6 -0.327 -12.588 -1.299 1.00 0.45 H new ATOM 0 H2'' DA A 6 -1.196 -11.094 -1.588 1.00 0.45 H new ATOM 0 H1' DA A 6 0.359 -10.859 -3.256 1.00 0.36 H new ATOM 0 H8 DA A 6 2.410 -12.848 -0.627 1.00 0.50 H new ATOM 0 H61 DA A 6 5.249 -15.275 -5.566 1.00 0.57 H new ATOM 0 H62 DA A 6 5.106 -15.315 -3.805 1.00 0.57 H new ATOM 0 H2 DA A 6 2.375 -12.146 -6.987 1.00 0.43 H new ATOM 193 P DG A 7 -0.743 -9.476 1.960 1.00 0.45 P ATOM 194 OP1 DG A 7 0.658 -9.403 2.430 1.00 0.61 O ATOM 195 OP2 DG A 7 -1.832 -9.716 2.933 1.00 0.60 O ATOM 196 O5' DG A 7 -1.079 -8.124 1.152 1.00 0.28 O ATOM 197 C5' DG A 7 -1.922 -8.162 -0.005 1.00 0.19 C ATOM 198 C4' DG A 7 -3.396 -7.985 0.346 1.00 0.22 C ATOM 199 O4' DG A 7 -4.173 -8.098 -0.843 1.00 0.38 O ATOM 200 C3' DG A 7 -3.943 -9.015 1.319 1.00 0.22 C ATOM 201 O3' DG A 7 -3.786 -8.545 2.666 1.00 0.21 O ATOM 202 C2' DG A 7 -5.419 -9.080 0.961 1.00 0.29 C ATOM 203 C1' DG A 7 -5.417 -8.739 -0.538 1.00 0.33 C ATOM 204 N9 DG A 7 -5.534 -9.913 -1.424 1.00 0.43 N ATOM 205 C8 DG A 7 -5.142 -11.209 -1.195 1.00 0.39 C ATOM 206 N7 DG A 7 -5.377 -12.015 -2.192 1.00 0.52 N ATOM 207 C5 DG A 7 -5.967 -11.199 -3.152 1.00 0.70 C ATOM 208 C6 DG A 7 -6.440 -11.520 -4.453 1.00 0.92 C ATOM 209 O6 DG A 7 -6.429 -12.610 -5.021 1.00 1.00 O ATOM 210 N1 DG A 7 -6.964 -10.406 -5.094 1.00 1.07 N ATOM 211 C2 DG A 7 -7.026 -9.138 -4.553 1.00 1.01 C ATOM 212 N2 DG A 7 -7.565 -8.192 -5.323 1.00 1.19 N ATOM 213 N3 DG A 7 -6.583 -8.835 -3.329 1.00 0.79 N ATOM 214 C4 DG A 7 -6.068 -9.911 -2.690 1.00 0.65 C ATOM 0 H5' DG A 7 -1.785 -9.113 -0.520 1.00 0.19 H new ATOM 0 H5'' DG A 7 -1.619 -7.377 -0.698 1.00 0.19 H new ATOM 0 H4' DG A 7 -3.464 -7.006 0.821 1.00 0.22 H new ATOM 0 H3' DG A 7 -3.440 -9.980 1.256 1.00 0.22 H new ATOM 0 H2' DG A 7 -5.839 -10.068 1.151 1.00 0.29 H new ATOM 0 H2'' DG A 7 -6.008 -8.367 1.538 1.00 0.29 H new ATOM 0 H1' DG A 7 -6.288 -8.109 -0.717 1.00 0.33 H new ATOM 0 H8 DG A 7 -4.681 -11.531 -0.273 1.00 0.39 H new ATOM 0 H1 DG A 7 -7.331 -10.534 -6.037 1.00 1.07 H new ATOM 0 H21 DG A 7 -7.639 -7.235 -4.979 1.00 1.19 H new ATOM 0 H22 DG A 7 -7.904 -8.426 -6.256 1.00 1.19 H new ATOM 226 P DG A 8 -4.363 -7.108 3.121 1.00 0.17 P ATOM 227 OP1 DG A 8 -5.469 -7.329 4.079 1.00 0.23 O ATOM 228 OP2 DG A 8 -4.589 -6.292 1.907 1.00 0.22 O ATOM 229 O5' DG A 8 -3.122 -6.474 3.928 1.00 0.14 O ATOM 230 C5' DG A 8 -2.641 -7.088 5.126 1.00 0.18 C ATOM 231 C4' DG A 8 -1.203 -6.675 5.427 1.00 0.17 C ATOM 232 O4' DG A 8 -0.385 -6.934 4.276 1.00 0.18 O ATOM 233 C3' DG A 8 -1.038 -5.189 5.760 1.00 0.14 C ATOM 234 O3' DG A 8 -0.023 -5.032 6.764 1.00 0.17 O ATOM 235 C2' DG A 8 -0.557 -4.597 4.449 1.00 0.15 C ATOM 236 C1' DG A 8 0.318 -5.734 3.961 1.00 0.16 C ATOM 237 N9 DG A 8 0.610 -5.727 2.514 1.00 0.19 N ATOM 238 C8 DG A 8 1.811 -5.950 1.896 1.00 0.22 C ATOM 239 N7 DG A 8 1.764 -5.864 0.600 1.00 0.23 N ATOM 240 C5 DG A 8 0.438 -5.560 0.329 1.00 0.21 C ATOM 241 C6 DG A 8 -0.204 -5.348 -0.917 1.00 0.21 C ATOM 242 O6 DG A 8 0.294 -5.374 -2.042 1.00 0.24 O ATOM 243 N1 DG A 8 -1.555 -5.069 -0.751 1.00 0.19 N ATOM 244 C2 DG A 8 -2.203 -4.999 0.462 1.00 0.18 C ATOM 245 N2 DG A 8 -3.506 -4.719 0.418 1.00 0.19 N ATOM 246 N3 DG A 8 -1.599 -5.197 1.637 1.00 0.17 N ATOM 247 C4 DG A 8 -0.282 -5.474 1.496 1.00 0.18 C ATOM 0 H5' DG A 8 -2.696 -8.172 5.028 1.00 0.18 H new ATOM 0 H5'' DG A 8 -3.283 -6.810 5.962 1.00 0.18 H new ATOM 0 H4' DG A 8 -0.907 -7.255 6.301 1.00 0.17 H new ATOM 0 H3' DG A 8 -1.947 -4.722 6.140 1.00 0.14 H new ATOM 0 H2' DG A 8 -1.376 -4.376 3.764 1.00 0.15 H new ATOM 0 H2'' DG A 8 0.000 -3.671 4.588 1.00 0.15 H new ATOM 0 H1' DG A 8 1.289 -5.638 4.447 1.00 0.16 H new ATOM 0 H8 DG A 8 2.717 -6.177 2.437 1.00 0.22 H new ATOM 0 H1 DG A 8 -2.109 -4.903 -1.591 1.00 0.19 H new ATOM 0 H21 DG A 8 -4.043 -4.653 1.283 1.00 0.19 H new ATOM 0 H22 DG A 8 -3.966 -4.571 -0.480 1.00 0.19 H new ATOM 259 P DG A 9 0.449 -3.565 7.238 1.00 0.22 P ATOM 260 OP1 DG A 9 0.044 -3.384 8.650 1.00 0.25 O ATOM 261 OP2 DG A 9 0.015 -2.586 6.217 1.00 0.25 O ATOM 262 O5' DG A 9 2.060 -3.667 7.186 1.00 0.29 O ATOM 263 C5' DG A 9 2.722 -4.053 5.978 1.00 0.28 C ATOM 264 C4' DG A 9 4.137 -3.490 5.887 1.00 0.29 C ATOM 265 O4' DG A 9 4.646 -3.728 4.569 1.00 0.27 O ATOM 266 C3' DG A 9 4.231 -1.986 6.144 1.00 0.28 C ATOM 267 O3' DG A 9 5.427 -1.697 6.877 1.00 0.33 O ATOM 268 C2' DG A 9 4.326 -1.380 4.754 1.00 0.27 C ATOM 269 C1' DG A 9 5.029 -2.482 3.979 1.00 0.26 C ATOM 270 N9 DG A 9 4.677 -2.531 2.545 1.00 0.22 N ATOM 271 C8 DG A 9 5.515 -2.601 1.462 1.00 0.22 C ATOM 272 N7 DG A 9 4.899 -2.599 0.314 1.00 0.19 N ATOM 273 C5 DG A 9 3.553 -2.522 0.654 1.00 0.17 C ATOM 274 C6 DG A 9 2.404 -2.484 -0.182 1.00 0.16 C ATOM 275 O6 DG A 9 2.354 -2.509 -1.410 1.00 0.18 O ATOM 276 N1 DG A 9 1.235 -2.406 0.560 1.00 0.16 N ATOM 277 C2 DG A 9 1.172 -2.371 1.935 1.00 0.17 C ATOM 278 N2 DG A 9 -0.050 -2.295 2.467 1.00 0.18 N ATOM 279 N3 DG A 9 2.251 -2.406 2.726 1.00 0.19 N ATOM 280 C4 DG A 9 3.404 -2.481 2.019 1.00 0.19 C ATOM 0 H5' DG A 9 2.141 -3.709 5.122 1.00 0.28 H new ATOM 0 H5'' DG A 9 2.762 -5.141 5.920 1.00 0.28 H new ATOM 0 H4' DG A 9 4.711 -3.994 6.665 1.00 0.29 H new ATOM 0 H3' DG A 9 3.389 -1.600 6.719 1.00 0.28 H new ATOM 0 H2' DG A 9 3.344 -1.152 4.340 1.00 0.27 H new ATOM 0 H2'' DG A 9 4.896 -0.451 4.751 1.00 0.27 H new ATOM 0 H1' DG A 9 6.100 -2.284 4.032 1.00 0.26 H new ATOM 0 H8 DG A 9 6.590 -2.653 1.553 1.00 0.22 H new ATOM 0 H1 DG A 9 0.354 -2.372 0.048 1.00 0.16 H new ATOM 0 H21 DG A 9 -0.164 -2.266 3.480 1.00 0.18 H new ATOM 0 H22 DG A 9 -0.869 -2.266 1.860 1.00 0.18 H new ATOM 292 P DG A 10 5.830 -0.174 7.218 1.00 0.34 P ATOM 293 OP1 DG A 10 6.852 -0.192 8.287 1.00 0.39 O ATOM 294 OP2 DG A 10 4.584 0.604 7.402 1.00 0.36 O ATOM 295 O5' DG A 10 6.535 0.323 5.856 1.00 0.28 O ATOM 296 C5' DG A 10 7.871 -0.081 5.537 1.00 0.32 C ATOM 297 C4' DG A 10 8.445 0.736 4.381 1.00 0.27 C ATOM 298 O4' DG A 10 7.629 0.557 3.216 1.00 0.25 O ATOM 299 C3' DG A 10 8.507 2.239 4.660 1.00 0.25 C ATOM 300 O3' DG A 10 9.713 2.781 4.111 1.00 0.25 O ATOM 301 C2' DG A 10 7.310 2.792 3.908 1.00 0.22 C ATOM 302 C1' DG A 10 7.243 1.842 2.727 1.00 0.21 C ATOM 303 N9 DG A 10 5.898 1.717 2.141 1.00 0.20 N ATOM 304 C8 DG A 10 4.699 1.572 2.786 1.00 0.24 C ATOM 305 N7 DG A 10 3.675 1.503 1.988 1.00 0.25 N ATOM 306 C5 DG A 10 4.229 1.609 0.719 1.00 0.21 C ATOM 307 C6 DG A 10 3.594 1.600 -0.550 1.00 0.19 C ATOM 308 O6 DG A 10 2.394 1.498 -0.801 1.00 0.22 O ATOM 309 N1 DG A 10 4.515 1.734 -1.579 1.00 0.15 N ATOM 310 C2 DG A 10 5.878 1.862 -1.411 1.00 0.13 C ATOM 311 N2 DG A 10 6.600 1.983 -2.526 1.00 0.14 N ATOM 312 N3 DG A 10 6.477 1.871 -0.216 1.00 0.16 N ATOM 313 C4 DG A 10 5.593 1.741 0.801 1.00 0.18 C ATOM 0 H5' DG A 10 7.879 -1.139 5.275 1.00 0.32 H new ATOM 0 H5'' DG A 10 8.506 0.034 6.415 1.00 0.32 H new ATOM 0 H4' DG A 10 9.463 0.373 4.239 1.00 0.27 H new ATOM 0 H3' DG A 10 8.494 2.479 5.723 1.00 0.25 H new ATOM 0 H2' DG A 10 6.400 2.769 4.508 1.00 0.22 H new ATOM 0 H2'' DG A 10 7.460 3.826 3.597 1.00 0.22 H new ATOM 0 H1' DG A 10 7.893 2.231 1.943 1.00 0.21 H new ATOM 0 H8 DG A 10 4.612 1.520 3.861 1.00 0.24 H new ATOM 0 H1 DG A 10 4.156 1.738 -2.534 1.00 0.15 H new ATOM 0 H21 DG A 10 7.614 2.081 -2.469 1.00 0.14 H new ATOM 0 H22 DG A 10 6.138 1.977 -3.436 1.00 0.14 H new ATOM 325 P DC A 11 10.415 4.062 4.788 1.00 0.30 P ATOM 326 OP1 DC A 11 11.606 4.414 3.982 1.00 0.42 O ATOM 327 OP2 DC A 11 10.558 3.800 6.237 1.00 0.39 O ATOM 328 O5' DC A 11 9.315 5.224 4.593 1.00 0.27 O ATOM 329 C5' DC A 11 9.439 6.457 5.308 1.00 0.29 C ATOM 330 C4' DC A 11 8.369 7.468 4.898 1.00 0.29 C ATOM 331 O4' DC A 11 8.495 7.788 3.525 1.00 0.36 O ATOM 332 C3' DC A 11 6.935 6.982 5.076 1.00 0.28 C ATOM 333 O3' DC A 11 6.438 7.427 6.343 1.00 0.28 O ATOM 334 C2' DC A 11 6.158 7.669 3.943 1.00 0.38 C ATOM 335 C1' DC A 11 7.254 8.356 3.121 1.00 0.41 C ATOM 336 N1 DC A 11 7.126 8.168 1.663 1.00 0.49 N ATOM 337 C2 DC A 11 6.530 9.190 0.941 1.00 0.59 C ATOM 338 O2 DC A 11 6.132 10.200 1.517 1.00 0.64 O ATOM 339 N3 DC A 11 6.404 9.039 -0.406 1.00 0.68 N ATOM 340 C4 DC A 11 6.843 7.932 -1.018 1.00 0.68 C ATOM 341 N4 DC A 11 6.704 7.816 -2.339 1.00 0.77 N ATOM 342 C5 DC A 11 7.459 6.875 -0.276 1.00 0.61 C ATOM 343 C6 DC A 11 7.579 7.034 1.056 1.00 0.52 C ATOM 0 H5' DC A 11 10.427 6.882 5.129 1.00 0.29 H new ATOM 0 H5'' DC A 11 9.364 6.264 6.378 1.00 0.29 H new ATOM 0 H4' DC A 11 8.540 8.319 5.558 1.00 0.29 H new ATOM 0 H3' DC A 11 6.847 5.896 5.045 1.00 0.28 H new ATOM 0 H2' DC A 11 5.600 6.948 3.345 1.00 0.38 H new ATOM 0 H2'' DC A 11 5.436 8.388 4.330 1.00 0.38 H new ATOM 0 H1' DC A 11 7.177 9.428 3.306 1.00 0.41 H new ATOM 0 H41 DC A 11 7.035 6.977 -2.815 1.00 0.77 H new ATOM 0 H42 DC A 11 6.267 8.567 -2.874 1.00 0.77 H new ATOM 0 H5 DC A 11 7.815 5.981 -0.767 1.00 0.61 H new ATOM 0 H6 DC A 11 8.038 6.257 1.649 1.00 0.52 H new ATOM 355 P DT A 12 5.788 6.384 7.384 1.00 0.23 P ATOM 356 OP1 DT A 12 5.770 7.014 8.723 1.00 0.33 O ATOM 357 OP2 DT A 12 6.445 5.072 7.195 1.00 0.27 O ATOM 358 O5' DT A 12 4.268 6.266 6.865 1.00 0.19 O ATOM 359 C5' DT A 12 3.737 5.002 6.460 1.00 0.12 C ATOM 360 C4' DT A 12 2.351 5.150 5.838 1.00 0.12 C ATOM 361 O4' DT A 12 2.420 6.028 4.728 1.00 0.13 O ATOM 362 C3' DT A 12 1.766 3.846 5.313 1.00 0.14 C ATOM 363 O3' DT A 12 0.919 3.268 6.312 1.00 0.21 O ATOM 364 C2' DT A 12 0.929 4.262 4.101 1.00 0.20 C ATOM 365 C1' DT A 12 1.342 5.717 3.846 1.00 0.15 C ATOM 366 N1 DT A 12 1.813 5.972 2.474 1.00 0.16 N ATOM 367 C2 DT A 12 1.001 6.722 1.643 1.00 0.18 C ATOM 368 O2 DT A 12 -0.087 7.165 2.006 1.00 0.19 O ATOM 369 N3 DT A 12 1.480 6.936 0.367 1.00 0.19 N ATOM 370 C4 DT A 12 2.679 6.477 -0.144 1.00 0.21 C ATOM 371 O4 DT A 12 3.004 6.728 -1.303 1.00 0.24 O ATOM 372 C5 DT A 12 3.458 5.704 0.790 1.00 0.20 C ATOM 373 C7 DT A 12 4.796 5.125 0.348 1.00 0.20 C ATOM 374 C6 DT A 12 3.016 5.479 2.043 1.00 0.17 C ATOM 0 H5' DT A 12 3.681 4.337 7.322 1.00 0.12 H new ATOM 0 H5'' DT A 12 4.411 4.536 5.741 1.00 0.12 H new ATOM 0 H4' DT A 12 1.714 5.522 6.640 1.00 0.12 H new ATOM 0 H3' DT A 12 2.530 3.112 5.059 1.00 0.14 H new ATOM 0 H2' DT A 12 1.137 3.631 3.237 1.00 0.20 H new ATOM 0 H2'' DT A 12 -0.138 4.180 4.306 1.00 0.20 H new ATOM 0 H1' DT A 12 0.456 6.330 4.008 1.00 0.15 H new ATOM 0 H3 DT A 12 0.892 7.486 -0.260 1.00 0.19 H new ATOM 0 H71 DT A 12 5.465 5.057 1.206 1.00 0.20 H new ATOM 0 H72 DT A 12 4.642 4.131 -0.071 1.00 0.20 H new ATOM 0 H73 DT A 12 5.241 5.772 -0.408 1.00 0.20 H new ATOM 0 H6 DT A 12 3.623 4.898 2.721 1.00 0.17 H new ATOM 387 P DG A 13 0.398 1.750 6.164 1.00 0.20 P ATOM 388 OP1 DG A 13 0.317 1.152 7.514 1.00 0.34 O ATOM 389 OP2 DG A 13 1.201 1.086 5.111 1.00 0.24 O ATOM 390 O5' DG A 13 -1.102 1.939 5.607 1.00 0.24 O ATOM 391 C5' DG A 13 -2.148 2.387 6.473 1.00 0.23 C ATOM 392 C4' DG A 13 -3.498 1.796 6.075 1.00 0.16 C ATOM 393 O4' DG A 13 -3.822 2.189 4.734 1.00 0.15 O ATOM 394 C3' DG A 13 -3.538 0.266 6.108 1.00 0.14 C ATOM 395 O3' DG A 13 -4.828 -0.165 6.567 1.00 0.14 O ATOM 396 C2' DG A 13 -3.343 -0.113 4.651 1.00 0.13 C ATOM 397 C1' DG A 13 -4.111 1.010 3.979 1.00 0.12 C ATOM 398 N9 DG A 13 -3.737 1.259 2.573 1.00 0.14 N ATOM 399 C8 DG A 13 -4.555 1.414 1.485 1.00 0.17 C ATOM 400 N7 DG A 13 -3.917 1.615 0.365 1.00 0.19 N ATOM 401 C5 DG A 13 -2.577 1.591 0.736 1.00 0.16 C ATOM 402 C6 DG A 13 -1.409 1.754 -0.059 1.00 0.18 C ATOM 403 O6 DG A 13 -1.332 1.954 -1.269 1.00 0.24 O ATOM 404 N1 DG A 13 -0.255 1.660 0.707 1.00 0.17 N ATOM 405 C2 DG A 13 -0.227 1.440 2.068 1.00 0.15 C ATOM 406 N2 DG A 13 0.975 1.380 2.633 1.00 0.19 N ATOM 407 N3 DG A 13 -1.322 1.288 2.816 1.00 0.14 N ATOM 408 C4 DG A 13 -2.457 1.375 2.086 1.00 0.13 C ATOM 0 H5' DG A 13 -2.204 3.475 6.445 1.00 0.23 H new ATOM 0 H5'' DG A 13 -1.916 2.106 7.500 1.00 0.23 H new ATOM 0 H4' DG A 13 -4.209 2.176 6.809 1.00 0.16 H new ATOM 0 H3' DG A 13 -2.796 -0.183 6.768 1.00 0.14 H new ATOM 0 H2' DG A 13 -2.292 -0.130 4.362 1.00 0.13 H new ATOM 0 H2'' DG A 13 -3.753 -1.096 4.418 1.00 0.13 H new ATOM 0 H1' DG A 13 -5.165 0.732 3.959 1.00 0.12 H new ATOM 0 H8 DG A 13 -5.632 1.373 1.549 1.00 0.17 H new ATOM 0 H1 DG A 13 0.639 1.761 0.227 1.00 0.17 H new ATOM 0 H21 DG A 13 1.059 1.219 3.637 1.00 0.19 H new ATOM 0 H22 DG A 13 1.813 1.495 2.063 1.00 0.19 H new ATOM 420 P DG A 14 -5.292 -1.701 6.422 1.00 0.19 P ATOM 421 OP1 DG A 14 -6.338 -1.969 7.435 1.00 0.27 O ATOM 422 OP2 DG A 14 -4.081 -2.549 6.372 1.00 0.22 O ATOM 423 O5' DG A 14 -5.985 -1.725 4.967 1.00 0.22 O ATOM 424 C5' DG A 14 -7.278 -1.145 4.768 1.00 0.23 C ATOM 425 C4' DG A 14 -7.788 -1.376 3.348 1.00 0.19 C ATOM 426 O4' DG A 14 -6.768 -1.018 2.406 1.00 0.19 O ATOM 427 C3' DG A 14 -8.175 -2.825 3.058 1.00 0.19 C ATOM 428 O3' DG A 14 -9.340 -2.845 2.226 1.00 0.20 O ATOM 429 C2' DG A 14 -6.980 -3.370 2.296 1.00 0.16 C ATOM 430 C1' DG A 14 -6.528 -2.132 1.541 1.00 0.14 C ATOM 431 N9 DG A 14 -5.097 -2.131 1.192 1.00 0.12 N ATOM 432 C8 DG A 14 -4.019 -2.356 2.006 1.00 0.13 C ATOM 433 N7 DG A 14 -2.869 -2.288 1.395 1.00 0.15 N ATOM 434 C5 DG A 14 -3.209 -1.998 0.076 1.00 0.13 C ATOM 435 C6 DG A 14 -2.375 -1.808 -1.060 1.00 0.17 C ATOM 436 O6 DG A 14 -1.148 -1.858 -1.122 1.00 0.21 O ATOM 437 N1 DG A 14 -3.120 -1.535 -2.199 1.00 0.18 N ATOM 438 C2 DG A 14 -4.496 -1.453 -2.244 1.00 0.17 C ATOM 439 N2 DG A 14 -5.034 -1.179 -3.434 1.00 0.21 N ATOM 440 N3 DG A 14 -5.282 -1.631 -1.178 1.00 0.16 N ATOM 441 C4 DG A 14 -4.572 -1.899 -0.057 1.00 0.12 C ATOM 0 H5' DG A 14 -7.231 -0.075 4.968 1.00 0.23 H new ATOM 0 H5'' DG A 14 -7.982 -1.572 5.482 1.00 0.23 H new ATOM 0 H4' DG A 14 -8.681 -0.759 3.254 1.00 0.19 H new ATOM 0 H3' DG A 14 -8.402 -3.403 3.954 1.00 0.19 H new ATOM 0 H2' DG A 14 -6.206 -3.752 2.962 1.00 0.16 H new ATOM 0 H2'' DG A 14 -7.255 -4.184 1.626 1.00 0.16 H new ATOM 0 H1' DG A 14 -7.078 -2.093 0.601 1.00 0.14 H new ATOM 0 H8 DG A 14 -4.113 -2.571 3.060 1.00 0.13 H new ATOM 0 H1 DG A 14 -2.611 -1.383 -3.070 1.00 0.18 H new ATOM 0 H21 DG A 14 -6.047 -1.105 -3.531 1.00 0.21 H new ATOM 0 H22 DG A 14 -4.432 -1.043 -4.246 1.00 0.21 H new ATOM 453 P DG A 15 -9.975 -4.240 1.734 1.00 0.25 P ATOM 454 OP1 DG A 15 -11.364 -4.321 2.238 1.00 0.36 O ATOM 455 OP2 DG A 15 -9.013 -5.320 2.043 1.00 0.30 O ATOM 456 O5' DG A 15 -10.027 -4.054 0.135 1.00 0.27 O ATOM 457 C5' DG A 15 -10.901 -3.088 -0.459 1.00 0.25 C ATOM 458 C4' DG A 15 -10.662 -2.972 -1.961 1.00 0.17 C ATOM 459 O4' DG A 15 -9.270 -2.731 -2.208 1.00 0.21 O ATOM 460 C3' DG A 15 -11.048 -4.226 -2.747 1.00 0.13 C ATOM 461 O3' DG A 15 -11.713 -3.843 -3.956 1.00 0.13 O ATOM 462 C2' DG A 15 -9.716 -4.879 -3.078 1.00 0.16 C ATOM 463 C1' DG A 15 -8.814 -3.664 -3.188 1.00 0.16 C ATOM 464 N9 DG A 15 -7.389 -3.941 -2.922 1.00 0.17 N ATOM 465 C8 DG A 15 -6.783 -4.267 -1.736 1.00 0.22 C ATOM 466 N7 DG A 15 -5.493 -4.438 -1.830 1.00 0.22 N ATOM 467 C5 DG A 15 -5.222 -4.210 -3.176 1.00 0.17 C ATOM 468 C6 DG A 15 -3.987 -4.252 -3.878 1.00 0.16 C ATOM 469 O6 DG A 15 -2.868 -4.506 -3.436 1.00 0.18 O ATOM 470 N1 DG A 15 -4.155 -3.958 -5.224 1.00 0.14 N ATOM 471 C2 DG A 15 -5.361 -3.663 -5.825 1.00 0.15 C ATOM 472 N2 DG A 15 -5.323 -3.410 -7.133 1.00 0.18 N ATOM 473 N3 DG A 15 -6.524 -3.622 -5.167 1.00 0.14 N ATOM 474 C4 DG A 15 -6.378 -3.905 -3.851 1.00 0.15 C ATOM 0 H5' DG A 15 -10.747 -2.117 0.012 1.00 0.25 H new ATOM 0 H5'' DG A 15 -11.937 -3.371 -0.275 1.00 0.25 H new ATOM 0 H4' DG A 15 -11.295 -2.151 -2.298 1.00 0.17 H new ATOM 0 H3' DG A 15 -11.716 -4.888 -2.196 1.00 0.13 H new ATOM 0 H2' DG A 15 -9.389 -5.566 -2.297 1.00 0.16 H new ATOM 0 H2'' DG A 15 -9.756 -5.448 -4.007 1.00 0.16 H new ATOM 0 H1' DG A 15 -8.870 -3.298 -4.213 1.00 0.16 H new ATOM 0 H8 DG A 15 -7.325 -4.373 -0.808 1.00 0.22 H new ATOM 0 H1 DG A 15 -3.323 -3.960 -5.814 1.00 0.14 H new ATOM 0 H21 DG A 15 -6.183 -3.185 -7.634 1.00 0.18 H new ATOM 0 H22 DG A 15 -4.434 -3.441 -7.633 1.00 0.18 H new ATOM 486 P DA A 16 -13.101 -3.027 -3.902 1.00 0.15 P ATOM 487 OP1 DA A 16 -13.912 -3.568 -2.788 1.00 0.21 O ATOM 488 OP2 DA A 16 -13.665 -2.982 -5.270 1.00 0.21 O ATOM 489 O5' DA A 16 -12.628 -1.541 -3.504 1.00 0.18 O ATOM 490 C5' DA A 16 -12.009 -0.690 -4.475 1.00 0.24 C ATOM 491 C4' DA A 16 -12.049 0.775 -4.046 1.00 0.26 C ATOM 492 O4' DA A 16 -13.408 1.179 -3.853 1.00 0.37 O ATOM 493 C3' DA A 16 -11.300 1.065 -2.738 1.00 0.19 C ATOM 494 O3' DA A 16 -10.406 2.166 -2.936 1.00 0.17 O ATOM 495 C2' DA A 16 -12.392 1.459 -1.749 1.00 0.30 C ATOM 496 C1' DA A 16 -13.475 1.977 -2.676 1.00 0.35 C ATOM 497 N9 DA A 16 -14.841 1.867 -2.132 1.00 0.46 N ATOM 498 C8 DA A 16 -15.434 0.799 -1.509 1.00 0.61 C ATOM 499 N7 DA A 16 -16.666 1.019 -1.141 1.00 0.71 N ATOM 500 C5 DA A 16 -16.907 2.327 -1.550 1.00 0.61 C ATOM 501 C6 DA A 16 -18.033 3.160 -1.453 1.00 0.67 C ATOM 502 N6 DA A 16 -19.178 2.777 -0.888 1.00 0.82 N ATOM 503 N1 DA A 16 -17.930 4.400 -1.962 1.00 0.60 N ATOM 504 C2 DA A 16 -16.786 4.775 -2.522 1.00 0.50 C ATOM 505 N3 DA A 16 -15.663 4.089 -2.674 1.00 0.43 N ATOM 506 C4 DA A 16 -15.799 2.850 -2.154 1.00 0.48 C ATOM 0 H5' DA A 16 -12.515 -0.803 -5.434 1.00 0.24 H new ATOM 0 H5'' DA A 16 -10.974 -0.998 -4.623 1.00 0.24 H new ATOM 0 H4' DA A 16 -11.556 1.328 -4.846 1.00 0.26 H new ATOM 0 H3' DA A 16 -10.712 0.215 -2.391 1.00 0.19 H new ATOM 0 H2' DA A 16 -12.733 0.610 -1.156 1.00 0.30 H new ATOM 0 H2'' DA A 16 -12.054 2.222 -1.048 1.00 0.30 H new ATOM 0 H1' DA A 16 -13.295 3.039 -2.843 1.00 0.35 H new ATOM 0 H8 DA A 16 -14.927 -0.139 -1.338 1.00 0.61 H new ATOM 0 H61 DA A 16 -19.966 3.423 -0.844 1.00 0.82 H new ATOM 0 H62 DA A 16 -19.266 1.838 -0.500 1.00 0.82 H new ATOM 0 H2 DA A 16 -16.769 5.783 -2.909 1.00 0.50 H new ATOM 518 P DG A 17 -8.955 1.928 -3.591 1.00 0.29 P ATOM 519 OP1 DG A 17 -9.127 1.088 -4.796 1.00 0.45 O ATOM 520 OP2 DG A 17 -8.031 1.496 -2.520 1.00 0.41 O ATOM 521 O5' DG A 17 -8.523 3.408 -4.059 1.00 0.27 O ATOM 522 C5' DG A 17 -9.187 4.064 -5.146 1.00 0.26 C ATOM 523 C4' DG A 17 -8.527 3.752 -6.489 1.00 0.22 C ATOM 524 O4' DG A 17 -7.121 4.007 -6.405 1.00 0.20 O ATOM 525 C3' DG A 17 -8.694 2.298 -6.948 1.00 0.23 C ATOM 526 O3' DG A 17 -9.254 2.276 -8.266 1.00 0.30 O ATOM 527 C2' DG A 17 -7.277 1.737 -6.979 1.00 0.22 C ATOM 528 C1' DG A 17 -6.452 2.997 -7.151 1.00 0.21 C ATOM 529 N9 DG A 17 -5.071 2.890 -6.646 1.00 0.21 N ATOM 530 C8 DG A 17 -3.893 3.020 -7.335 1.00 0.23 C ATOM 531 N7 DG A 17 -2.828 2.857 -6.600 1.00 0.23 N ATOM 532 C5 DG A 17 -3.335 2.601 -5.329 1.00 0.21 C ATOM 533 C6 DG A 17 -2.650 2.344 -4.111 1.00 0.22 C ATOM 534 O6 DG A 17 -1.438 2.291 -3.914 1.00 0.25 O ATOM 535 N1 DG A 17 -3.537 2.139 -3.063 1.00 0.22 N ATOM 536 C2 DG A 17 -4.912 2.175 -3.170 1.00 0.22 C ATOM 537 N2 DG A 17 -5.598 1.953 -2.049 1.00 0.26 N ATOM 538 N3 DG A 17 -5.558 2.417 -4.314 1.00 0.20 N ATOM 539 C4 DG A 17 -4.708 2.620 -5.348 1.00 0.20 C ATOM 0 H5' DG A 17 -9.179 5.141 -4.979 1.00 0.26 H new ATOM 0 H5'' DG A 17 -10.231 3.753 -5.174 1.00 0.26 H new ATOM 0 H4' DG A 17 -9.028 4.394 -7.213 1.00 0.22 H new ATOM 0 H3' DG A 17 -9.352 1.724 -6.296 1.00 0.23 H new ATOM 0 H2' DG A 17 -7.027 1.206 -6.061 1.00 0.22 H new ATOM 0 H2'' DG A 17 -7.132 1.037 -7.802 1.00 0.22 H new ATOM 0 H1' DG A 17 -6.367 3.208 -8.217 1.00 0.21 H new ATOM 0 H8 DG A 17 -3.851 3.238 -8.392 1.00 0.23 H new ATOM 0 H1 DG A 17 -3.142 1.947 -2.143 1.00 0.22 H new ATOM 0 H21 DG A 17 -6.618 1.967 -2.064 1.00 0.26 H new ATOM 0 H22 DG A 17 -5.103 1.770 -1.176 1.00 0.26 H new ATOM 551 P DG A 18 -9.459 0.879 -9.043 1.00 0.36 P ATOM 552 OP1 DG A 18 -10.338 1.119 -10.208 1.00 0.49 O ATOM 553 OP2 DG A 18 -9.820 -0.154 -8.046 1.00 0.38 O ATOM 554 O5' DG A 18 -7.978 0.558 -9.585 1.00 0.31 O ATOM 555 C5' DG A 18 -7.362 1.406 -10.559 1.00 0.31 C ATOM 556 C4' DG A 18 -5.980 0.892 -10.955 1.00 0.24 C ATOM 557 O4' DG A 18 -5.115 0.912 -9.818 1.00 0.24 O ATOM 558 C3' DG A 18 -5.989 -0.541 -11.497 1.00 0.20 C ATOM 559 O3' DG A 18 -5.371 -0.562 -12.789 1.00 0.21 O ATOM 560 C2' DG A 18 -5.150 -1.342 -10.503 1.00 0.20 C ATOM 561 C1' DG A 18 -4.307 -0.261 -9.848 1.00 0.19 C ATOM 562 N9 DG A 18 -3.905 -0.563 -8.460 1.00 0.19 N ATOM 563 C8 DG A 18 -4.702 -0.764 -7.362 1.00 0.22 C ATOM 564 N7 DG A 18 -4.041 -0.996 -6.263 1.00 0.22 N ATOM 565 C5 DG A 18 -2.708 -0.948 -6.656 1.00 0.19 C ATOM 566 C6 DG A 18 -1.526 -1.127 -5.887 1.00 0.19 C ATOM 567 O6 DG A 18 -1.428 -1.366 -4.685 1.00 0.20 O ATOM 568 N1 DG A 18 -0.386 -1.000 -6.667 1.00 0.18 N ATOM 569 C2 DG A 18 -0.379 -0.733 -8.020 1.00 0.18 C ATOM 570 N2 DG A 18 0.821 -0.649 -8.597 1.00 0.20 N ATOM 571 N3 DG A 18 -1.488 -0.563 -8.747 1.00 0.17 N ATOM 572 C4 DG A 18 -2.613 -0.684 -8.000 1.00 0.17 C ATOM 0 H5' DG A 18 -7.275 2.417 -10.160 1.00 0.31 H new ATOM 0 H5'' DG A 18 -7.996 1.466 -11.444 1.00 0.31 H new ATOM 0 H4' DG A 18 -5.634 1.554 -11.749 1.00 0.24 H new ATOM 0 H3' DG A 18 -6.996 -0.945 -11.602 1.00 0.20 H new ATOM 0 H2' DG A 18 -5.771 -1.869 -9.778 1.00 0.20 H new ATOM 0 H2'' DG A 18 -4.535 -2.092 -11.001 1.00 0.20 H new ATOM 0 H1' DG A 18 -3.386 -0.160 -10.423 1.00 0.19 H new ATOM 0 H8 DG A 18 -5.781 -0.733 -7.404 1.00 0.22 H new ATOM 0 H1 DG A 18 0.516 -1.113 -6.204 1.00 0.18 H new ATOM 0 H21 DG A 18 0.894 -0.454 -9.595 1.00 0.20 H new ATOM 0 H22 DG A 18 1.665 -0.780 -8.040 1.00 0.20 H new ATOM 584 P DG A 19 -5.365 -1.909 -13.670 1.00 0.16 P ATOM 585 OP1 DG A 19 -5.452 -1.532 -15.098 1.00 0.17 O ATOM 586 OP2 DG A 19 -6.358 -2.843 -13.093 1.00 0.17 O ATOM 587 O5' DG A 19 -3.895 -2.503 -13.393 1.00 0.17 O ATOM 588 C5' DG A 19 -2.748 -1.908 -14.004 1.00 0.20 C ATOM 589 C4' DG A 19 -1.460 -2.600 -13.567 1.00 0.19 C ATOM 590 O4' DG A 19 -1.298 -2.459 -12.153 1.00 0.19 O ATOM 591 C3' DG A 19 -1.425 -4.099 -13.882 1.00 0.21 C ATOM 592 O3' DG A 19 -0.182 -4.426 -14.513 1.00 0.24 O ATOM 593 C2' DG A 19 -1.504 -4.773 -12.518 1.00 0.20 C ATOM 594 C1' DG A 19 -0.884 -3.715 -11.625 1.00 0.19 C ATOM 595 N9 DG A 19 -1.316 -3.781 -10.217 1.00 0.19 N ATOM 596 C8 DG A 19 -2.583 -3.706 -9.701 1.00 0.20 C ATOM 597 N7 DG A 19 -2.633 -3.802 -8.403 1.00 0.19 N ATOM 598 C5 DG A 19 -1.302 -3.951 -8.027 1.00 0.18 C ATOM 599 C6 DG A 19 -0.731 -4.103 -6.735 1.00 0.20 C ATOM 600 O6 DG A 19 -1.304 -4.137 -5.647 1.00 0.21 O ATOM 601 N1 DG A 19 0.650 -4.224 -6.799 1.00 0.22 N ATOM 602 C2 DG A 19 1.393 -4.202 -7.962 1.00 0.21 C ATOM 603 N2 DG A 19 2.711 -4.331 -7.823 1.00 0.25 N ATOM 604 N3 DG A 19 0.858 -4.058 -9.177 1.00 0.19 N ATOM 605 C4 DG A 19 -0.488 -3.940 -9.132 1.00 0.18 C ATOM 0 H5' DG A 19 -2.702 -0.851 -13.742 1.00 0.20 H new ATOM 0 H5'' DG A 19 -2.842 -1.963 -15.089 1.00 0.20 H new ATOM 0 H4' DG A 19 -0.660 -2.118 -14.129 1.00 0.19 H new ATOM 0 H3' DG A 19 -2.228 -4.410 -14.550 1.00 0.21 H new ATOM 0 H2' DG A 19 -2.531 -5.002 -12.232 1.00 0.20 H new ATOM 0 H2'' DG A 19 -0.949 -5.711 -12.490 1.00 0.20 H new ATOM 0 H1' DG A 19 0.195 -3.867 -11.620 1.00 0.19 H new ATOM 0 H8 DG A 19 -3.462 -3.579 -10.316 1.00 0.20 H new ATOM 0 H1 DG A 19 1.154 -4.338 -5.920 1.00 0.22 H new ATOM 0 H21 DG A 19 3.314 -4.322 -8.646 1.00 0.25 H new ATOM 0 H22 DG A 19 3.118 -4.438 -6.894 1.00 0.25 H new ATOM 617 P DC A 20 0.031 -5.864 -15.205 1.00 0.33 P ATOM 618 OP1 DC A 20 1.326 -5.845 -15.922 1.00 0.47 O ATOM 619 OP2 DC A 20 -1.209 -6.216 -15.933 1.00 0.37 O ATOM 620 O5' DC A 20 0.170 -6.852 -13.941 1.00 0.37 O ATOM 621 C5' DC A 20 1.366 -6.864 -13.157 1.00 0.52 C ATOM 622 C4' DC A 20 1.362 -8.005 -12.143 1.00 0.48 C ATOM 623 O4' DC A 20 0.259 -7.857 -11.249 1.00 0.30 O ATOM 624 C3' DC A 20 1.221 -9.384 -12.767 1.00 0.53 C ATOM 625 O3' DC A 20 2.491 -9.919 -13.157 1.00 0.83 O ATOM 626 C2' DC A 20 0.592 -10.199 -11.647 1.00 0.38 C ATOM 627 C1' DC A 20 -0.238 -9.156 -10.899 1.00 0.16 C ATOM 628 N1 DC A 20 -1.677 -9.185 -11.227 1.00 0.28 N ATOM 629 C2 DC A 20 -2.545 -9.624 -10.240 1.00 0.61 C ATOM 630 O2 DC A 20 -2.108 -9.974 -9.146 1.00 0.68 O ATOM 631 N3 DC A 20 -3.878 -9.655 -10.519 1.00 0.91 N ATOM 632 C4 DC A 20 -4.338 -9.270 -11.717 1.00 0.91 C ATOM 633 N4 DC A 20 -5.649 -9.313 -11.957 1.00 1.23 N ATOM 634 C5 DC A 20 -3.446 -8.817 -12.738 1.00 0.65 C ATOM 635 C6 DC A 20 -2.129 -8.790 -12.452 1.00 0.37 C ATOM 0 H5' DC A 20 1.469 -5.913 -12.635 1.00 0.52 H new ATOM 0 H5'' DC A 20 2.231 -6.963 -13.813 1.00 0.52 H new ATOM 0 H4' DC A 20 2.328 -7.942 -11.641 1.00 0.48 H new ATOM 0 H3' DC A 20 0.629 -9.382 -13.682 1.00 0.53 H new ATOM 0 H2' DC A 20 -0.027 -11.008 -12.034 1.00 0.38 H new ATOM 0 H2'' DC A 20 1.346 -10.654 -11.004 1.00 0.38 H new ATOM 0 HO3' DC A 20 2.364 -10.807 -13.553 1.00 0.83 H new ATOM 0 H1' DC A 20 -0.143 -9.382 -9.837 1.00 0.16 H new ATOM 0 H41 DC A 20 -6.011 -9.022 -12.865 1.00 1.23 H new ATOM 0 H42 DC A 20 -6.290 -9.636 -11.232 1.00 1.23 H new ATOM 0 H5 DC A 20 -3.814 -8.507 -13.705 1.00 0.65 H new ATOM 0 H6 DC A 20 -1.426 -8.453 -13.199 1.00 0.37 H new TER 648 DC A 20