USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 172 hydrogens (11 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 Set 1.1: A 12 DT C7 :methyl -30:sc= -0.442 (180deg=0) USER MOD Set 1.2: A 13 DT C7 :methyl -30:sc= -0.89 (180deg=-3.03!) USER MOD Single : A 1 DG O5' : rot 32:sc= 1.39 USER MOD Single : A 4 DT C7 :methyl -30:sc= -2.35! (180deg=-7.46!) USER MOD Single : A 7 DT C7 :methyl 150:sc=-0.000932 (180deg=-0.000932) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 6.899 2.208 2.357 1.00 0.00 O ATOM 2 C5' DG A 1 7.917 2.760 3.184 1.00 0.00 C ATOM 3 C4' DG A 1 7.718 2.412 4.669 1.00 0.00 C ATOM 4 O4' DG A 1 6.409 2.825 5.048 1.00 0.00 O ATOM 5 C3' DG A 1 7.823 0.908 4.946 1.00 0.00 C ATOM 6 O3' DG A 1 8.462 0.680 6.197 1.00 0.00 O ATOM 7 C2' DG A 1 6.362 0.485 4.982 1.00 0.00 C ATOM 8 C1' DG A 1 5.722 1.716 5.601 1.00 0.00 C ATOM 9 N9 DG A 1 4.265 1.755 5.357 1.00 0.00 N ATOM 10 C8 DG A 1 3.283 1.437 6.250 1.00 0.00 C ATOM 11 N7 DG A 1 2.071 1.651 5.815 1.00 0.00 N ATOM 12 C5 DG A 1 2.260 2.048 4.488 1.00 0.00 C ATOM 13 C6 DG A 1 1.309 2.344 3.450 1.00 0.00 C ATOM 14 O6 DG A 1 0.080 2.400 3.533 1.00 0.00 O ATOM 15 N1 DG A 1 1.905 2.569 2.213 1.00 0.00 N ATOM 16 C2 DG A 1 3.261 2.561 2.028 1.00 0.00 C ATOM 17 N2 DG A 1 3.744 2.759 0.829 1.00 0.00 N ATOM 18 N3 DG A 1 4.171 2.351 2.980 1.00 0.00 N ATOM 19 C4 DG A 1 3.606 2.078 4.191 1.00 0.00 C ATOM 0 H5' DG A 1 7.930 3.844 3.066 1.00 0.00 H new ATOM 0 H5'' DG A 1 8.889 2.392 2.854 1.00 0.00 H new ATOM 0 H4' DG A 1 8.502 2.917 5.233 1.00 0.00 H new ATOM 0 H3' DG A 1 8.412 0.357 4.213 1.00 0.00 H new ATOM 0 H2' DG A 1 5.969 0.271 3.988 1.00 0.00 H new ATOM 0 H2'' DG A 1 6.206 -0.409 5.585 1.00 0.00 H new ATOM 0 HO5' DG A 1 6.057 2.168 2.857 1.00 0.00 H new ATOM 0 H1' DG A 1 5.812 1.717 6.687 1.00 0.00 H new ATOM 0 H8 DG A 1 3.491 1.042 7.233 1.00 0.00 H new ATOM 0 H1 DG A 1 1.304 2.748 1.408 1.00 0.00 H new ATOM 0 H21 DG A 1 4.753 2.755 0.679 1.00 0.00 H new ATOM 0 H22 DG A 1 3.112 2.917 0.044 1.00 0.00 H new ATOM 32 P DG A 2 8.953 -0.795 6.615 1.00 0.00 P ATOM 33 OP1 DG A 2 9.926 -0.731 7.722 1.00 0.00 O ATOM 34 OP2 DG A 2 9.409 -1.482 5.386 1.00 0.00 O ATOM 35 O5' DG A 2 7.639 -1.558 7.143 1.00 0.00 O ATOM 36 C5' DG A 2 7.018 -1.231 8.378 1.00 0.00 C ATOM 37 C4' DG A 2 5.634 -1.891 8.508 1.00 0.00 C ATOM 38 O4' DG A 2 4.737 -1.338 7.552 1.00 0.00 O ATOM 39 C3' DG A 2 5.672 -3.413 8.306 1.00 0.00 C ATOM 40 O3' DG A 2 5.050 -4.073 9.396 1.00 0.00 O ATOM 41 C2' DG A 2 4.853 -3.636 7.039 1.00 0.00 C ATOM 42 C1' DG A 2 3.971 -2.386 6.994 1.00 0.00 C ATOM 43 N9 DG A 2 3.482 -2.018 5.653 1.00 0.00 N ATOM 44 C8 DG A 2 4.182 -2.007 4.485 1.00 0.00 C ATOM 45 N7 DG A 2 3.508 -1.616 3.442 1.00 0.00 N ATOM 46 C5 DG A 2 2.237 -1.376 3.962 1.00 0.00 C ATOM 47 C6 DG A 2 1.034 -0.948 3.312 1.00 0.00 C ATOM 48 O6 DG A 2 0.872 -0.684 2.123 1.00 0.00 O ATOM 49 N1 DG A 2 -0.035 -0.834 4.183 1.00 0.00 N ATOM 50 C2 DG A 2 0.043 -1.078 5.523 1.00 0.00 C ATOM 51 N2 DG A 2 -1.058 -0.895 6.214 1.00 0.00 N ATOM 52 N3 DG A 2 1.138 -1.503 6.158 1.00 0.00 N ATOM 53 C4 DG A 2 2.210 -1.623 5.318 1.00 0.00 C ATOM 0 H5' DG A 2 6.915 -0.149 8.459 1.00 0.00 H new ATOM 0 H5'' DG A 2 7.654 -1.553 9.202 1.00 0.00 H new ATOM 0 H4' DG A 2 5.297 -1.692 9.526 1.00 0.00 H new ATOM 0 H3' DG A 2 6.689 -3.799 8.235 1.00 0.00 H new ATOM 0 H2' DG A 2 5.486 -3.719 6.155 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.261 -4.549 7.094 1.00 0.00 H new ATOM 0 H1' DG A 2 3.060 -2.588 7.556 1.00 0.00 H new ATOM 0 H8 DG A 2 5.220 -2.301 4.428 1.00 0.00 H new ATOM 0 H1 DG A 2 -0.937 -0.550 3.800 1.00 0.00 H new ATOM 0 H21 DG A 2 -1.062 -1.061 7.220 1.00 0.00 H new ATOM 0 H22 DG A 2 -1.909 -0.586 5.745 1.00 0.00 H new HETATM 65 P TAF A 3 5.587 -5.501 9.900 1.00 0.00 P HETATM 66 OP1 TAF A 3 4.671 -5.999 10.952 1.00 0.00 O HETATM 67 OP2 TAF A 3 7.036 -5.405 10.157 1.00 0.00 O HETATM 68 O5' TAF A 3 5.345 -6.430 8.611 1.00 0.00 O HETATM 69 N1 TAF A 3 2.759 -8.905 5.318 1.00 0.00 N HETATM 70 C6 TAF A 3 1.825 -8.009 5.802 1.00 0.00 C HETATM 71 C2 TAF A 3 2.358 -10.015 4.563 1.00 0.00 C HETATM 72 O2 TAF A 3 3.140 -10.831 4.089 1.00 0.00 O HETATM 73 N3 TAF A 3 1.006 -10.170 4.351 1.00 0.00 N HETATM 74 C4 TAF A 3 0.016 -9.323 4.797 1.00 0.00 C HETATM 75 O4 TAF A 3 -1.148 -9.587 4.520 1.00 0.00 O HETATM 76 C5 TAF A 3 0.494 -8.175 5.565 1.00 0.00 C HETATM 77 C5M TAF A 3 -0.496 -7.127 6.048 1.00 0.00 C HETATM 78 F2' TAF A 3 4.007 -6.344 4.958 1.00 0.00 F HETATM 79 C2' TAF A 3 4.831 -7.453 4.896 1.00 0.00 C HETATM 80 C5' TAF A 3 6.208 -7.520 8.310 1.00 0.00 C HETATM 81 C4' TAF A 3 5.888 -8.157 6.950 1.00 0.00 C HETATM 82 O4' TAF A 3 4.549 -8.634 6.911 1.00 0.00 O HETATM 83 C1' TAF A 3 4.223 -8.708 5.536 1.00 0.00 C HETATM 84 C3' TAF A 3 6.056 -7.186 5.772 1.00 0.00 C HETATM 85 O3' TAF A 3 7.289 -7.393 5.072 1.00 0.00 O HETATM 0 H5'' TAF A 3 7.242 -7.174 8.313 1.00 0.00 H new HETATM 0 H73 TAF A 3 -0.429 -7.036 7.132 1.00 0.00 H new HETATM 0 H72 TAF A 3 -0.263 -6.167 5.588 1.00 0.00 H new HETATM 0 H71 TAF A 3 -1.507 -7.426 5.771 1.00 0.00 H new HETATM 0 H6 TAF A 3 2.160 -7.152 6.386 1.00 0.00 H new HETATM 0 H5' TAF A 3 6.123 -8.275 9.092 1.00 0.00 H new HETATM 0 H4' TAF A 3 6.603 -8.973 6.845 1.00 0.00 H new HETATM 0 H3' TAF A 3 6.110 -6.146 6.094 1.00 0.00 H new HETATM 0 H3 TAF A 3 0.711 -10.986 3.815 1.00 0.00 H new HETATM 0 H2' TAF A 3 5.027 -7.615 3.836 1.00 0.00 H new HETATM 0 H1' TAF A 3 4.644 -9.588 5.049 1.00 0.00 H new ATOM 97 P DT A 4 8.014 -6.191 4.256 1.00 0.00 P ATOM 98 OP1 DT A 4 9.300 -6.680 3.713 1.00 0.00 O ATOM 99 OP2 DT A 4 7.999 -4.991 5.119 1.00 0.00 O ATOM 100 O5' DT A 4 7.015 -5.935 3.018 1.00 0.00 O ATOM 101 C5' DT A 4 7.012 -6.782 1.879 1.00 0.00 C ATOM 102 C4' DT A 4 6.204 -6.161 0.736 1.00 0.00 C ATOM 103 O4' DT A 4 4.812 -6.160 0.972 1.00 0.00 O ATOM 104 C3' DT A 4 6.620 -4.712 0.417 1.00 0.00 C ATOM 105 O3' DT A 4 6.804 -4.511 -0.970 1.00 0.00 O ATOM 106 C2' DT A 4 5.377 -3.941 0.805 1.00 0.00 C ATOM 107 C1' DT A 4 4.339 -4.968 0.385 1.00 0.00 C ATOM 108 N1 DT A 4 2.991 -4.639 0.855 1.00 0.00 N ATOM 109 C2 DT A 4 1.984 -4.340 -0.062 1.00 0.00 C ATOM 110 O2 DT A 4 2.183 -4.301 -1.279 1.00 0.00 O ATOM 111 N3 DT A 4 0.731 -4.120 0.481 1.00 0.00 N ATOM 112 C4 DT A 4 0.410 -4.174 1.823 1.00 0.00 C ATOM 113 O4 DT A 4 -0.757 -3.980 2.150 1.00 0.00 O ATOM 114 C5 DT A 4 1.527 -4.509 2.707 1.00 0.00 C ATOM 115 C7 DT A 4 1.317 -4.664 4.194 1.00 0.00 C ATOM 116 C6 DT A 4 2.763 -4.722 2.193 1.00 0.00 C ATOM 0 H5' DT A 4 6.589 -7.751 2.143 1.00 0.00 H new ATOM 0 H5'' DT A 4 8.036 -6.960 1.551 1.00 0.00 H new ATOM 0 H4' DT A 4 6.430 -6.805 -0.114 1.00 0.00 H new ATOM 0 H3' DT A 4 7.548 -4.433 0.917 1.00 0.00 H new ATOM 0 H2' DT A 4 5.337 -3.709 1.869 1.00 0.00 H new ATOM 0 H2'' DT A 4 5.280 -2.997 0.269 1.00 0.00 H new ATOM 0 H1' DT A 4 4.234 -5.027 -0.698 1.00 0.00 H new ATOM 0 H3 DT A 4 -0.024 -3.898 -0.168 1.00 0.00 H new ATOM 0 H71 DT A 4 0.499 -4.019 4.515 1.00 0.00 H new ATOM 0 H72 DT A 4 1.071 -5.701 4.421 1.00 0.00 H new ATOM 0 H73 DT A 4 2.229 -4.384 4.721 1.00 0.00 H new ATOM 0 H6 DT A 4 3.580 -4.962 2.857 1.00 0.00 H new ATOM 129 P DG A 5 8.130 -5.004 -1.710 1.00 0.00 P ATOM 130 OP1 DG A 5 7.937 -6.423 -2.057 1.00 0.00 O ATOM 131 OP2 DG A 5 9.308 -4.576 -0.919 1.00 0.00 O ATOM 132 O5' DG A 5 8.024 -4.117 -3.032 1.00 0.00 O ATOM 133 C5' DG A 5 8.195 -2.713 -2.975 1.00 0.00 C ATOM 134 C4' DG A 5 7.524 -2.091 -4.197 1.00 0.00 C ATOM 135 O4' DG A 5 6.106 -2.247 -4.091 1.00 0.00 O ATOM 136 C3' DG A 5 7.815 -0.589 -4.298 1.00 0.00 C ATOM 137 O3' DG A 5 8.063 -0.292 -5.664 1.00 0.00 O ATOM 138 C2' DG A 5 6.511 0.018 -3.792 1.00 0.00 C ATOM 139 C1' DG A 5 5.521 -0.987 -4.369 1.00 0.00 C ATOM 140 N9 DG A 5 4.120 -0.876 -3.882 1.00 0.00 N ATOM 141 C8 DG A 5 2.996 -0.817 -4.669 1.00 0.00 C ATOM 142 N7 DG A 5 1.871 -0.785 -4.013 1.00 0.00 N ATOM 143 C5 DG A 5 2.273 -0.785 -2.678 1.00 0.00 C ATOM 144 C6 DG A 5 1.489 -0.724 -1.480 1.00 0.00 C ATOM 145 O6 DG A 5 0.269 -0.669 -1.378 1.00 0.00 O ATOM 146 N1 DG A 5 2.242 -0.708 -0.322 1.00 0.00 N ATOM 147 C2 DG A 5 3.606 -0.708 -0.325 1.00 0.00 C ATOM 148 N2 DG A 5 4.223 -0.663 0.831 1.00 0.00 N ATOM 149 N3 DG A 5 4.369 -0.782 -1.419 1.00 0.00 N ATOM 150 C4 DG A 5 3.647 -0.816 -2.580 1.00 0.00 C ATOM 0 H5' DG A 5 9.255 -2.461 -2.957 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.757 -2.315 -2.059 1.00 0.00 H new ATOM 0 H4' DG A 5 7.919 -2.596 -5.079 1.00 0.00 H new ATOM 0 H3' DG A 5 8.676 -0.221 -3.740 1.00 0.00 H new ATOM 0 H2' DG A 5 6.468 0.070 -2.704 1.00 0.00 H new ATOM 0 H2'' DG A 5 6.347 1.029 -4.166 1.00 0.00 H new ATOM 0 H1' DG A 5 5.379 -0.804 -5.434 1.00 0.00 H new ATOM 0 H8 DG A 5 3.041 -0.799 -5.748 1.00 0.00 H new ATOM 0 H1 DG A 5 1.757 -0.696 0.575 1.00 0.00 H new ATOM 0 H21 DG A 5 5.242 -0.662 0.865 1.00 0.00 H new ATOM 0 H22 DG A 5 3.684 -0.629 1.696 1.00 0.00 H new ATOM 162 P DG A 6 8.529 1.171 -6.164 1.00 0.00 P ATOM 163 OP1 DG A 6 9.172 1.021 -7.485 1.00 0.00 O ATOM 164 OP2 DG A 6 9.243 1.826 -5.048 1.00 0.00 O ATOM 165 O5' DG A 6 7.113 1.911 -6.364 1.00 0.00 O ATOM 166 C5' DG A 6 6.205 1.491 -7.366 1.00 0.00 C ATOM 167 C4' DG A 6 4.811 2.081 -7.132 1.00 0.00 C ATOM 168 O4' DG A 6 4.287 1.715 -5.865 1.00 0.00 O ATOM 169 C3' DG A 6 4.770 3.612 -7.199 1.00 0.00 C ATOM 170 O3' DG A 6 4.229 3.987 -8.456 1.00 0.00 O ATOM 171 C2' DG A 6 3.859 4.007 -6.032 1.00 0.00 C ATOM 172 C1' DG A 6 3.298 2.671 -5.555 1.00 0.00 C ATOM 173 N9 DG A 6 2.926 2.666 -4.123 1.00 0.00 N ATOM 174 C8 DG A 6 3.712 2.795 -3.003 1.00 0.00 C ATOM 175 N7 DG A 6 3.045 2.780 -1.884 1.00 0.00 N ATOM 176 C5 DG A 6 1.716 2.659 -2.282 1.00 0.00 C ATOM 177 C6 DG A 6 0.510 2.632 -1.509 1.00 0.00 C ATOM 178 O6 DG A 6 0.401 2.693 -0.283 1.00 0.00 O ATOM 179 N1 DG A 6 -0.627 2.544 -2.300 1.00 0.00 N ATOM 180 C2 DG A 6 -0.601 2.506 -3.668 1.00 0.00 C ATOM 181 N2 DG A 6 -1.731 2.463 -4.331 1.00 0.00 N ATOM 182 N3 DG A 6 0.505 2.517 -4.407 1.00 0.00 N ATOM 183 C4 DG A 6 1.637 2.599 -3.653 1.00 0.00 C ATOM 0 H5' DG A 6 6.146 0.403 -7.374 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.573 1.797 -8.345 1.00 0.00 H new ATOM 0 H4' DG A 6 4.212 1.667 -7.943 1.00 0.00 H new ATOM 0 H3' DG A 6 5.741 4.100 -7.117 1.00 0.00 H new ATOM 0 H2' DG A 6 4.414 4.515 -5.243 1.00 0.00 H new ATOM 0 H2'' DG A 6 3.067 4.684 -6.352 1.00 0.00 H new ATOM 0 H1' DG A 6 2.356 2.447 -6.056 1.00 0.00 H new ATOM 0 H8 DG A 6 4.786 2.899 -3.047 1.00 0.00 H new ATOM 0 H1 DG A 6 -1.534 2.505 -1.835 1.00 0.00 H new ATOM 0 H21 DG A 6 -1.723 2.434 -5.351 1.00 0.00 H new ATOM 0 H22 DG A 6 -2.618 2.458 -3.827 1.00 0.00 H new ATOM 195 P DT A 7 4.216 5.511 -8.975 1.00 0.00 P ATOM 196 OP1 DT A 7 4.114 5.497 -10.445 1.00 0.00 O ATOM 197 OP2 DT A 7 5.312 6.253 -8.305 1.00 0.00 O ATOM 198 O5' DT A 7 2.853 6.086 -8.336 1.00 0.00 O ATOM 199 C5' DT A 7 1.855 6.772 -9.087 1.00 0.00 C ATOM 200 C4' DT A 7 0.535 5.996 -9.195 1.00 0.00 C ATOM 201 O4' DT A 7 0.631 4.948 -10.149 1.00 0.00 O ATOM 202 C3' DT A 7 0.081 5.364 -7.864 1.00 0.00 C ATOM 203 O3' DT A 7 -1.303 5.565 -7.651 1.00 0.00 O ATOM 204 C2' DT A 7 0.315 3.885 -8.116 1.00 0.00 C ATOM 205 C1' DT A 7 -0.016 3.816 -9.604 1.00 0.00 C ATOM 206 N1 DT A 7 0.485 2.577 -10.243 1.00 0.00 N ATOM 207 C2 DT A 7 -0.432 1.708 -10.844 1.00 0.00 C ATOM 208 O2 DT A 7 -1.643 1.903 -10.869 1.00 0.00 O ATOM 209 N3 DT A 7 0.086 0.568 -11.417 1.00 0.00 N ATOM 210 C4 DT A 7 1.419 0.208 -11.436 1.00 0.00 C ATOM 211 O4 DT A 7 1.730 -0.851 -11.968 1.00 0.00 O ATOM 212 C5 DT A 7 2.322 1.163 -10.795 1.00 0.00 C ATOM 213 C7 DT A 7 3.817 0.904 -10.761 1.00 0.00 C ATOM 214 C6 DT A 7 1.830 2.295 -10.228 1.00 0.00 C ATOM 0 H5' DT A 7 2.236 6.969 -10.089 1.00 0.00 H new ATOM 0 H5'' DT A 7 1.663 7.740 -8.624 1.00 0.00 H new ATOM 0 H4' DT A 7 -0.200 6.741 -9.499 1.00 0.00 H new ATOM 0 H3' DT A 7 0.601 5.779 -7.001 1.00 0.00 H new ATOM 0 H2' DT A 7 1.340 3.583 -7.902 1.00 0.00 H new ATOM 0 H2'' DT A 7 -0.336 3.251 -7.514 1.00 0.00 H new ATOM 0 H1' DT A 7 -1.093 3.806 -9.772 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.573 -0.067 -11.867 1.00 0.00 H new ATOM 0 H71 DT A 7 4.351 1.854 -10.758 1.00 0.00 H new ATOM 0 H72 DT A 7 4.069 0.344 -9.861 1.00 0.00 H new ATOM 0 H73 DT A 7 4.107 0.328 -11.640 1.00 0.00 H new ATOM 0 H6 DT A 7 2.510 2.988 -9.755 1.00 0.00 H new ATOM 227 P DG A 8 -1.875 6.985 -7.156 1.00 0.00 P ATOM 228 OP1 DG A 8 -3.226 7.145 -7.729 1.00 0.00 O ATOM 229 OP2 DG A 8 -0.833 8.008 -7.397 1.00 0.00 O ATOM 230 O5' DG A 8 -1.988 6.744 -5.570 1.00 0.00 O ATOM 231 C5' DG A 8 -3.067 6.005 -5.015 1.00 0.00 C ATOM 232 C4' DG A 8 -3.038 6.031 -3.484 1.00 0.00 C ATOM 233 O4' DG A 8 -1.927 5.286 -3.013 1.00 0.00 O ATOM 234 C3' DG A 8 -2.955 7.453 -2.918 1.00 0.00 C ATOM 235 O3' DG A 8 -4.047 7.735 -2.063 1.00 0.00 O ATOM 236 C2' DG A 8 -1.667 7.485 -2.109 1.00 0.00 C ATOM 237 C1' DG A 8 -1.151 6.047 -2.110 1.00 0.00 C ATOM 238 N9 DG A 8 0.269 6.009 -2.522 1.00 0.00 N ATOM 239 C8 DG A 8 0.803 6.068 -3.787 1.00 0.00 C ATOM 240 N7 DG A 8 2.111 6.075 -3.817 1.00 0.00 N ATOM 241 C5 DG A 8 2.471 6.026 -2.466 1.00 0.00 C ATOM 242 C6 DG A 8 3.756 6.006 -1.820 1.00 0.00 C ATOM 243 O6 DG A 8 4.879 6.024 -2.316 1.00 0.00 O ATOM 244 N1 DG A 8 3.679 5.963 -0.437 1.00 0.00 N ATOM 245 C2 DG A 8 2.502 5.948 0.255 1.00 0.00 C ATOM 246 N2 DG A 8 2.551 5.924 1.568 1.00 0.00 N ATOM 247 N3 DG A 8 1.298 5.972 -0.307 1.00 0.00 N ATOM 248 C4 DG A 8 1.346 6.000 -1.670 1.00 0.00 C ATOM 0 H5' DG A 8 -3.019 4.973 -5.363 1.00 0.00 H new ATOM 0 H5'' DG A 8 -4.012 6.418 -5.369 1.00 0.00 H new ATOM 0 H4' DG A 8 -3.975 5.590 -3.143 1.00 0.00 H new ATOM 0 H3' DG A 8 -2.977 8.192 -3.719 1.00 0.00 H new ATOM 0 H2' DG A 8 -0.940 8.164 -2.555 1.00 0.00 H new ATOM 0 H2'' DG A 8 -1.850 7.836 -1.093 1.00 0.00 H new ATOM 0 H1' DG A 8 -1.231 5.634 -1.105 1.00 0.00 H new ATOM 0 H8 DG A 8 0.195 6.105 -4.679 1.00 0.00 H new ATOM 0 H1 DG A 8 4.550 5.941 0.093 1.00 0.00 H new ATOM 0 H21 DG A 8 1.687 5.912 2.110 1.00 0.00 H new ATOM 0 H22 DG A 8 3.453 5.917 2.045 1.00 0.00 H new ATOM 260 P DT A 9 -5.277 8.638 -2.574 1.00 0.00 P ATOM 261 OP1 DT A 9 -5.388 8.499 -4.040 1.00 0.00 O ATOM 262 OP2 DT A 9 -5.150 9.973 -1.957 1.00 0.00 O ATOM 263 O5' DT A 9 -6.527 7.890 -1.911 1.00 0.00 O ATOM 264 C5' DT A 9 -7.115 6.745 -2.505 1.00 0.00 C ATOM 265 C4' DT A 9 -8.226 6.194 -1.606 1.00 0.00 C ATOM 266 O4' DT A 9 -7.629 5.731 -0.405 1.00 0.00 O ATOM 267 C3' DT A 9 -9.265 7.257 -1.208 1.00 0.00 C ATOM 268 O3' DT A 9 -10.560 6.689 -1.078 1.00 0.00 O ATOM 269 C2' DT A 9 -8.789 7.694 0.169 1.00 0.00 C ATOM 270 C1' DT A 9 -8.208 6.390 0.706 1.00 0.00 C ATOM 271 N1 DT A 9 -7.228 6.632 1.799 1.00 0.00 N ATOM 272 C2 DT A 9 -7.741 6.924 3.067 1.00 0.00 C ATOM 273 O2 DT A 9 -8.937 6.991 3.326 1.00 0.00 O ATOM 274 N3 DT A 9 -6.830 7.127 4.077 1.00 0.00 N ATOM 275 C4 DT A 9 -5.465 6.992 3.964 1.00 0.00 C ATOM 276 O4 DT A 9 -4.790 7.128 4.980 1.00 0.00 O ATOM 277 C5 DT A 9 -4.986 6.695 2.614 1.00 0.00 C ATOM 278 C7 DT A 9 -3.503 6.542 2.330 1.00 0.00 C ATOM 279 C6 DT A 9 -5.866 6.549 1.585 1.00 0.00 C ATOM 0 H5' DT A 9 -6.356 5.980 -2.667 1.00 0.00 H new ATOM 0 H5'' DT A 9 -7.522 7.002 -3.483 1.00 0.00 H new ATOM 0 H4' DT A 9 -8.736 5.410 -2.167 1.00 0.00 H new ATOM 0 H3' DT A 9 -9.341 8.058 -1.944 1.00 0.00 H new ATOM 0 H2' DT A 9 -8.042 8.486 0.115 1.00 0.00 H new ATOM 0 H2'' DT A 9 -9.605 8.067 0.788 1.00 0.00 H new ATOM 0 H1' DT A 9 -8.981 5.769 1.159 1.00 0.00 H new ATOM 0 H3 DT A 9 -7.198 7.401 4.988 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.361 5.845 1.504 1.00 0.00 H new ATOM 0 H72 DT A 9 -3.082 7.511 2.064 1.00 0.00 H new ATOM 0 H73 DT A 9 -3.000 6.159 3.218 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.494 6.366 0.588 1.00 0.00 H new ATOM 292 P DG A 10 -11.583 6.689 -2.306 1.00 0.00 P ATOM 293 OP1 DG A 10 -11.720 8.071 -2.810 1.00 0.00 O ATOM 294 OP2 DG A 10 -12.865 6.088 -1.876 1.00 0.00 O ATOM 295 O5' DG A 10 -10.941 5.779 -3.450 1.00 0.00 O ATOM 296 C5' DG A 10 -11.029 4.370 -3.395 1.00 0.00 C ATOM 297 C4' DG A 10 -10.270 3.754 -4.568 1.00 0.00 C ATOM 298 O4' DG A 10 -8.868 3.948 -4.403 1.00 0.00 O ATOM 299 C3' DG A 10 -10.504 2.239 -4.627 1.00 0.00 C ATOM 300 O3' DG A 10 -10.696 1.875 -5.984 1.00 0.00 O ATOM 301 C2' DG A 10 -9.200 1.712 -4.044 1.00 0.00 C ATOM 302 C1' DG A 10 -8.242 2.710 -4.674 1.00 0.00 C ATOM 303 N9 DG A 10 -6.848 2.639 -4.139 1.00 0.00 N ATOM 304 C8 DG A 10 -5.662 2.461 -4.829 1.00 0.00 C ATOM 305 N7 DG A 10 -4.593 2.537 -4.091 1.00 0.00 N ATOM 306 C5 DG A 10 -5.089 2.719 -2.806 1.00 0.00 C ATOM 307 C6 DG A 10 -4.393 2.821 -1.561 1.00 0.00 C ATOM 308 O6 DG A 10 -3.183 2.813 -1.366 1.00 0.00 O ATOM 309 N1 DG A 10 -5.229 2.916 -0.469 1.00 0.00 N ATOM 310 C2 DG A 10 -6.585 2.886 -0.554 1.00 0.00 C ATOM 311 N2 DG A 10 -7.265 2.888 0.571 1.00 0.00 N ATOM 312 N3 DG A 10 -7.265 2.822 -1.701 1.00 0.00 N ATOM 313 C4 DG A 10 -6.465 2.740 -2.809 1.00 0.00 C ATOM 0 H5' DG A 10 -12.074 4.061 -3.425 1.00 0.00 H new ATOM 0 H5'' DG A 10 -10.616 4.008 -2.453 1.00 0.00 H new ATOM 0 H4' DG A 10 -10.629 4.236 -5.477 1.00 0.00 H new ATOM 0 H3' DG A 10 -11.374 1.856 -4.094 1.00 0.00 H new ATOM 0 H2' DG A 10 -9.183 1.741 -2.955 1.00 0.00 H new ATOM 0 H2'' DG A 10 -8.992 0.684 -4.339 1.00 0.00 H new ATOM 0 H1' DG A 10 -8.087 2.521 -5.736 1.00 0.00 H new ATOM 0 H8 DG A 10 -5.626 2.274 -5.892 1.00 0.00 H new ATOM 0 H1 DG A 10 -4.806 3.014 0.454 1.00 0.00 H new ATOM 0 H21 DG A 10 -8.285 2.866 0.551 1.00 0.00 H new ATOM 0 H22 DG A 10 -6.773 2.911 1.464 1.00 0.00 H new ATOM 325 P DG A 11 -11.114 0.380 -6.416 1.00 0.00 P ATOM 326 OP1 DG A 11 -11.733 0.462 -7.756 1.00 0.00 O ATOM 327 OP2 DG A 11 -11.862 -0.204 -5.283 1.00 0.00 O ATOM 328 O5' DG A 11 -9.667 -0.324 -6.550 1.00 0.00 O ATOM 329 C5' DG A 11 -8.799 0.018 -7.619 1.00 0.00 C ATOM 330 C4' DG A 11 -7.407 -0.611 -7.481 1.00 0.00 C ATOM 331 O4' DG A 11 -6.785 -0.161 -6.284 1.00 0.00 O ATOM 332 C3' DG A 11 -7.424 -2.147 -7.459 1.00 0.00 C ATOM 333 O3' DG A 11 -6.526 -2.649 -8.436 1.00 0.00 O ATOM 334 C2' DG A 11 -6.891 -2.492 -6.073 1.00 0.00 C ATOM 335 C1' DG A 11 -6.060 -1.248 -5.752 1.00 0.00 C ATOM 336 N9 DG A 11 -5.746 -1.028 -4.321 1.00 0.00 N ATOM 337 C8 DG A 11 -6.580 -0.977 -3.228 1.00 0.00 C ATOM 338 N7 DG A 11 -5.961 -0.762 -2.101 1.00 0.00 N ATOM 339 C5 DG A 11 -4.614 -0.708 -2.456 1.00 0.00 C ATOM 340 C6 DG A 11 -3.435 -0.586 -1.647 1.00 0.00 C ATOM 341 O6 DG A 11 -3.359 -0.499 -0.421 1.00 0.00 O ATOM 342 N1 DG A 11 -2.266 -0.605 -2.389 1.00 0.00 N ATOM 343 C2 DG A 11 -2.228 -0.750 -3.747 1.00 0.00 C ATOM 344 N2 DG A 11 -1.059 -0.819 -4.341 1.00 0.00 N ATOM 345 N3 DG A 11 -3.305 -0.895 -4.521 1.00 0.00 N ATOM 346 C4 DG A 11 -4.475 -0.858 -3.816 1.00 0.00 C ATOM 0 H5' DG A 11 -8.699 1.102 -7.667 1.00 0.00 H new ATOM 0 H5'' DG A 11 -9.246 -0.303 -8.560 1.00 0.00 H new ATOM 0 H4' DG A 11 -6.852 -0.296 -8.365 1.00 0.00 H new ATOM 0 H3' DG A 11 -8.410 -2.564 -7.664 1.00 0.00 H new ATOM 0 H2' DG A 11 -7.693 -2.648 -5.351 1.00 0.00 H new ATOM 0 H2'' DG A 11 -6.287 -3.399 -6.079 1.00 0.00 H new ATOM 0 H1' DG A 11 -5.072 -1.372 -6.195 1.00 0.00 H new ATOM 0 H8 DG A 11 -7.650 -1.104 -3.297 1.00 0.00 H new ATOM 0 H1 DG A 11 -1.381 -0.505 -1.892 1.00 0.00 H new ATOM 0 H21 DG A 11 -1.007 -0.927 -5.354 1.00 0.00 H new ATOM 0 H22 DG A 11 -0.203 -0.764 -3.789 1.00 0.00 H new ATOM 358 P DT A 12 -6.820 -4.026 -9.224 1.00 0.00 P ATOM 359 OP1 DT A 12 -5.608 -4.391 -9.987 1.00 0.00 O ATOM 360 OP2 DT A 12 -8.113 -3.879 -9.926 1.00 0.00 O ATOM 361 O5' DT A 12 -6.998 -5.086 -8.017 1.00 0.00 O ATOM 362 C5' DT A 12 -8.105 -5.974 -7.977 1.00 0.00 C ATOM 363 C4' DT A 12 -8.131 -6.810 -6.690 1.00 0.00 C ATOM 364 O4' DT A 12 -6.952 -7.593 -6.571 1.00 0.00 O ATOM 365 C3' DT A 12 -8.233 -5.951 -5.423 1.00 0.00 C ATOM 366 O3' DT A 12 -9.362 -6.335 -4.660 1.00 0.00 O ATOM 367 C2' DT A 12 -6.981 -6.289 -4.631 1.00 0.00 C ATOM 368 C1' DT A 12 -6.636 -7.666 -5.199 1.00 0.00 C ATOM 369 N1 DT A 12 -5.219 -8.068 -4.995 1.00 0.00 N ATOM 370 C2 DT A 12 -4.973 -9.303 -4.381 1.00 0.00 C ATOM 371 O2 DT A 12 -5.851 -10.102 -4.067 1.00 0.00 O ATOM 372 N3 DT A 12 -3.657 -9.604 -4.104 1.00 0.00 N ATOM 373 C4 DT A 12 -2.573 -8.782 -4.335 1.00 0.00 C ATOM 374 O4 DT A 12 -1.464 -9.173 -3.993 1.00 0.00 O ATOM 375 C5 DT A 12 -2.895 -7.509 -4.976 1.00 0.00 C ATOM 376 C7 DT A 12 -1.800 -6.486 -5.227 1.00 0.00 C ATOM 377 C6 DT A 12 -4.181 -7.209 -5.304 1.00 0.00 C ATOM 0 H5' DT A 12 -8.066 -6.639 -8.840 1.00 0.00 H new ATOM 0 H5'' DT A 12 -9.030 -5.403 -8.056 1.00 0.00 H new ATOM 0 H4' DT A 12 -9.018 -7.439 -6.771 1.00 0.00 H new ATOM 0 H3' DT A 12 -8.327 -4.891 -5.659 1.00 0.00 H new ATOM 0 H2' DT A 12 -6.183 -5.565 -4.793 1.00 0.00 H new ATOM 0 H2'' DT A 12 -7.169 -6.321 -3.558 1.00 0.00 H new ATOM 0 H1' DT A 12 -7.203 -8.435 -4.675 1.00 0.00 H new ATOM 0 H3 DT A 12 -3.467 -10.517 -3.691 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.031 -6.581 -4.461 1.00 0.00 H new ATOM 0 H72 DT A 12 -1.358 -6.659 -6.208 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.225 -5.483 -5.192 1.00 0.00 H new ATOM 0 H6 DT A 12 -4.395 -6.282 -5.815 1.00 0.00 H new ATOM 390 P DT A 13 -10.225 -5.240 -3.851 1.00 0.00 P ATOM 391 OP1 DT A 13 -11.476 -5.909 -3.430 1.00 0.00 O ATOM 392 OP2 DT A 13 -10.273 -4.022 -4.679 1.00 0.00 O ATOM 393 O5' DT A 13 -9.337 -4.914 -2.536 1.00 0.00 O ATOM 394 C5' DT A 13 -9.602 -5.557 -1.300 1.00 0.00 C ATOM 395 C4' DT A 13 -8.808 -4.967 -0.128 1.00 0.00 C ATOM 396 O4' DT A 13 -7.422 -5.256 -0.193 1.00 0.00 O ATOM 397 C3' DT A 13 -8.973 -3.450 0.064 1.00 0.00 C ATOM 398 O3' DT A 13 -9.541 -3.118 1.314 1.00 0.00 O ATOM 399 C2' DT A 13 -7.538 -2.982 0.146 1.00 0.00 C ATOM 400 C1' DT A 13 -6.762 -4.232 0.529 1.00 0.00 C ATOM 401 N1 DT A 13 -5.355 -4.113 0.100 1.00 0.00 N ATOM 402 C2 DT A 13 -4.324 -3.976 1.031 1.00 0.00 C ATOM 403 O2 DT A 13 -4.511 -3.918 2.242 1.00 0.00 O ATOM 404 N3 DT A 13 -3.044 -3.923 0.512 1.00 0.00 N ATOM 405 C4 DT A 13 -2.713 -3.966 -0.830 1.00 0.00 C ATOM 406 O4 DT A 13 -1.526 -3.926 -1.144 1.00 0.00 O ATOM 407 C5 DT A 13 -3.855 -4.077 -1.738 1.00 0.00 C ATOM 408 C7 DT A 13 -3.664 -4.151 -3.238 1.00 0.00 C ATOM 409 C6 DT A 13 -5.116 -4.132 -1.241 1.00 0.00 C ATOM 0 H5' DT A 13 -9.367 -6.617 -1.392 1.00 0.00 H new ATOM 0 H5'' DT A 13 -10.667 -5.484 -1.081 1.00 0.00 H new ATOM 0 H4' DT A 13 -9.252 -5.467 0.733 1.00 0.00 H new ATOM 0 H3' DT A 13 -9.602 -3.026 -0.719 1.00 0.00 H new ATOM 0 H2' DT A 13 -7.196 -2.576 -0.806 1.00 0.00 H new ATOM 0 H2'' DT A 13 -7.417 -2.194 0.890 1.00 0.00 H new ATOM 0 H1' DT A 13 -6.738 -4.415 1.603 1.00 0.00 H new ATOM 0 H3 DT A 13 -2.275 -3.845 1.178 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.764 -3.604 -3.518 1.00 0.00 H new ATOM 0 H72 DT A 13 -3.564 -5.193 -3.541 1.00 0.00 H new ATOM 0 H73 DT A 13 -4.526 -3.709 -3.737 1.00 0.00 H new ATOM 0 H6 DT A 13 -5.950 -4.192 -1.924 1.00 0.00 H new ATOM 422 P DG A 14 -11.113 -3.238 1.601 1.00 0.00 P ATOM 423 OP1 DG A 14 -11.427 -4.670 1.798 1.00 0.00 O ATOM 424 OP2 DG A 14 -11.834 -2.443 0.584 1.00 0.00 O ATOM 425 O5' DG A 14 -11.195 -2.466 3.011 1.00 0.00 O ATOM 426 C5' DG A 14 -11.024 -1.058 3.080 1.00 0.00 C ATOM 427 C4' DG A 14 -10.682 -0.637 4.511 1.00 0.00 C ATOM 428 O4' DG A 14 -9.366 -1.090 4.830 1.00 0.00 O ATOM 429 C3' DG A 14 -10.682 0.894 4.699 1.00 0.00 C ATOM 430 O3' DG A 14 -11.286 1.210 5.951 1.00 0.00 O ATOM 431 C2' DG A 14 -9.192 1.206 4.730 1.00 0.00 C ATOM 432 C1' DG A 14 -8.677 -0.019 5.437 1.00 0.00 C ATOM 433 N9 DG A 14 -7.199 -0.088 5.374 1.00 0.00 N ATOM 434 C8 DG A 14 -6.370 0.106 6.435 1.00 0.00 C ATOM 435 N7 DG A 14 -5.100 -0.032 6.180 1.00 0.00 N ATOM 436 C5 DG A 14 -5.078 -0.234 4.799 1.00 0.00 C ATOM 437 C6 DG A 14 -3.971 -0.346 3.891 1.00 0.00 C ATOM 438 O6 DG A 14 -2.767 -0.357 4.134 1.00 0.00 O ATOM 439 N1 DG A 14 -4.346 -0.388 2.564 1.00 0.00 N ATOM 440 C2 DG A 14 -5.635 -0.284 2.149 1.00 0.00 C ATOM 441 N2 DG A 14 -5.799 -0.175 0.859 1.00 0.00 N ATOM 442 N3 DG A 14 -6.695 -0.210 2.955 1.00 0.00 N ATOM 443 C4 DG A 14 -6.358 -0.197 4.282 1.00 0.00 C ATOM 0 H5' DG A 14 -11.936 -0.557 2.754 1.00 0.00 H new ATOM 0 H5'' DG A 14 -10.229 -0.747 2.402 1.00 0.00 H new ATOM 0 H4' DG A 14 -11.445 -1.074 5.155 1.00 0.00 H new ATOM 0 H3' DG A 14 -11.227 1.450 3.936 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.770 1.318 3.731 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.971 2.124 5.274 1.00 0.00 H new ATOM 0 H1' DG A 14 -8.868 -0.028 6.510 1.00 0.00 H new ATOM 0 H8 DG A 14 -6.739 0.357 7.419 1.00 0.00 H new ATOM 0 H1 DG A 14 -3.618 -0.503 1.859 1.00 0.00 H new ATOM 0 H21 DG A 14 -6.738 -0.093 0.469 1.00 0.00 H new ATOM 0 H22 DG A 14 -4.988 -0.172 0.240 1.00 0.00 H new ATOM 455 P DG A 15 -11.620 2.730 6.404 1.00 0.00 P ATOM 456 OP1 DG A 15 -12.571 2.676 7.535 1.00 0.00 O ATOM 457 OP2 DG A 15 -11.946 3.508 5.192 1.00 0.00 O ATOM 458 O5' DG A 15 -10.212 3.269 6.980 1.00 0.00 O ATOM 459 C5' DG A 15 -9.657 2.745 8.175 1.00 0.00 C ATOM 460 C4' DG A 15 -8.250 3.299 8.438 1.00 0.00 C ATOM 461 O4' DG A 15 -7.364 2.884 7.404 1.00 0.00 O ATOM 462 C3' DG A 15 -8.223 4.834 8.492 1.00 0.00 C ATOM 463 O3' DG A 15 -7.418 5.273 9.574 1.00 0.00 O ATOM 464 C2' DG A 15 -7.584 5.221 7.163 1.00 0.00 C ATOM 465 C1' DG A 15 -6.674 4.014 6.901 1.00 0.00 C ATOM 466 N9 DG A 15 -6.238 3.787 5.509 1.00 0.00 N ATOM 467 C8 DG A 15 -6.971 3.903 4.365 1.00 0.00 C ATOM 468 N7 DG A 15 -6.333 3.603 3.268 1.00 0.00 N ATOM 469 C5 DG A 15 -5.049 3.297 3.726 1.00 0.00 C ATOM 470 C6 DG A 15 -3.865 2.929 3.010 1.00 0.00 C ATOM 471 O6 DG A 15 -3.727 2.757 1.806 1.00 0.00 O ATOM 472 N1 DG A 15 -2.757 2.763 3.815 1.00 0.00 N ATOM 473 C2 DG A 15 -2.787 2.880 5.170 1.00 0.00 C ATOM 474 N2 DG A 15 -1.648 2.657 5.783 1.00 0.00 N ATOM 475 N3 DG A 15 -3.867 3.221 5.879 1.00 0.00 N ATOM 476 C4 DG A 15 -4.975 3.421 5.097 1.00 0.00 C ATOM 0 H5' DG A 15 -9.614 1.658 8.110 1.00 0.00 H new ATOM 0 H5'' DG A 15 -10.307 2.988 9.015 1.00 0.00 H new ATOM 0 H4' DG A 15 -7.939 2.909 9.407 1.00 0.00 H new ATOM 0 H3' DG A 15 -9.208 5.277 8.638 1.00 0.00 H new ATOM 0 H2' DG A 15 -8.325 5.355 6.375 1.00 0.00 H new ATOM 0 H2'' DG A 15 -7.021 6.152 7.234 1.00 0.00 H new ATOM 0 HO3' DG A 15 -7.407 6.253 9.597 1.00 0.00 H new ATOM 0 H1' DG A 15 -5.728 4.213 7.404 1.00 0.00 H new ATOM 0 H8 DG A 15 -8.003 4.220 4.367 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.867 2.540 3.370 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.594 2.726 6.799 1.00 0.00 H new ATOM 0 H22 DG A 15 -0.817 2.414 5.243 1.00 0.00 H new TER 489 DG A 15