USER MOD reduce.3.24.130724 H: found=0, std=0, add=169, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 169 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 10 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= -0.0522 (180deg=-0.0522) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.952 8.910 10.555 1.00 2.08 O ATOM 2 C5' DC A 1 -8.530 7.762 9.816 1.00 2.00 C ATOM 3 C4' DC A 1 -7.006 7.642 9.800 1.00 1.76 C ATOM 4 O4' DC A 1 -6.620 6.534 8.981 1.00 1.71 O ATOM 5 C3' DC A 1 -6.294 8.883 9.250 1.00 1.62 C ATOM 6 O3' DC A 1 -5.311 9.323 10.193 1.00 1.51 O ATOM 7 C2' DC A 1 -5.609 8.403 7.974 1.00 1.48 C ATOM 8 C1' DC A 1 -5.465 6.916 8.243 1.00 1.49 C ATOM 9 N1 DC A 1 -5.404 6.084 7.027 1.00 1.46 N ATOM 10 C2 DC A 1 -4.221 5.408 6.775 1.00 1.30 C ATOM 11 O2 DC A 1 -3.278 5.506 7.557 1.00 1.21 O ATOM 12 N3 DC A 1 -4.140 4.646 5.651 1.00 1.29 N ATOM 13 C4 DC A 1 -5.177 4.549 4.808 1.00 1.42 C ATOM 14 N4 DC A 1 -5.063 3.795 3.715 1.00 1.41 N ATOM 15 C5 DC A 1 -6.401 5.243 5.066 1.00 1.59 C ATOM 16 C6 DC A 1 -6.471 5.996 6.181 1.00 1.61 C ATOM 0 H5' DC A 1 -8.903 7.828 8.794 1.00 2.00 H new ATOM 0 H5'' DC A 1 -8.963 6.864 10.256 1.00 2.00 H new ATOM 0 H4' DC A 1 -6.709 7.513 10.841 1.00 1.76 H new ATOM 0 H3' DC A 1 -6.976 9.713 9.066 1.00 1.62 H new ATOM 0 H2' DC A 1 -6.210 8.602 7.087 1.00 1.48 H new ATOM 0 H2'' DC A 1 -4.644 8.887 7.820 1.00 1.48 H new ATOM 0 HO5' DC A 1 -9.931 8.963 10.547 1.00 2.08 H new ATOM 0 H1' DC A 1 -4.524 6.756 8.769 1.00 1.49 H new ATOM 0 H41 DC A 1 -5.847 3.715 3.067 1.00 1.41 H new ATOM 0 H42 DC A 1 -4.192 3.298 3.527 1.00 1.41 H new ATOM 0 H5 DC A 1 -7.240 5.166 4.390 1.00 1.59 H new ATOM 0 H6 DC A 1 -7.379 6.535 6.407 1.00 1.61 H new ATOM 29 P DG A 2 -4.477 10.677 9.933 1.00 1.40 P ATOM 30 OP1 DG A 2 -3.930 11.142 11.225 1.00 1.42 O ATOM 31 OP2 DG A 2 -5.315 11.585 9.116 1.00 1.55 O ATOM 32 O5' DG A 2 -3.252 10.167 9.020 1.00 1.17 O ATOM 33 C5' DG A 2 -2.143 9.480 9.608 1.00 1.07 C ATOM 34 C4' DG A 2 -1.084 9.138 8.564 1.00 0.90 C ATOM 35 O4' DG A 2 -1.648 8.279 7.572 1.00 0.89 O ATOM 36 C3' DG A 2 -0.515 10.361 7.829 1.00 0.85 C ATOM 37 O3' DG A 2 0.904 10.415 8.024 1.00 0.73 O ATOM 38 C2' DG A 2 -0.822 10.110 6.353 1.00 0.82 C ATOM 39 C1' DG A 2 -1.047 8.609 6.327 1.00 0.78 C ATOM 40 N9 DG A 2 -1.946 8.155 5.250 1.00 0.81 N ATOM 41 C8 DG A 2 -3.259 8.477 5.040 1.00 0.96 C ATOM 42 N7 DG A 2 -3.778 7.918 3.983 1.00 0.93 N ATOM 43 C5 DG A 2 -2.732 7.170 3.452 1.00 0.75 C ATOM 44 C6 DG A 2 -2.696 6.346 2.294 1.00 0.65 C ATOM 45 O6 DG A 2 -3.601 6.111 1.498 1.00 0.72 O ATOM 46 N1 DG A 2 -1.443 5.775 2.116 1.00 0.50 N ATOM 47 C2 DG A 2 -0.359 5.970 2.946 1.00 0.45 C ATOM 48 N2 DG A 2 0.764 5.334 2.611 1.00 0.37 N ATOM 49 N3 DG A 2 -0.391 6.744 4.033 1.00 0.52 N ATOM 50 C4 DG A 2 -1.605 7.310 4.224 1.00 0.67 C ATOM 0 H5' DG A 2 -2.492 8.566 10.088 1.00 1.07 H new ATOM 0 H5'' DG A 2 -1.701 10.100 10.388 1.00 1.07 H new ATOM 0 H4' DG A 2 -0.272 8.665 9.116 1.00 0.90 H new ATOM 0 H3' DG A 2 -0.941 11.299 8.186 1.00 0.85 H new ATOM 0 H2' DG A 2 -1.702 10.660 6.020 1.00 0.82 H new ATOM 0 H2'' DG A 2 0.004 10.410 5.708 1.00 0.82 H new ATOM 0 H1' DG A 2 -0.088 8.122 6.151 1.00 0.78 H new ATOM 0 H8 DG A 2 -3.815 9.135 5.691 1.00 0.96 H new ATOM 0 H1 DG A 2 -1.314 5.164 1.309 1.00 0.50 H new ATOM 0 H21 DG A 2 1.600 5.439 3.186 1.00 0.37 H new ATOM 0 H22 DG A 2 0.787 4.743 1.780 1.00 0.37 H new ATOM 62 P DC A 3 1.777 11.587 7.347 1.00 0.72 P ATOM 63 OP1 DC A 3 2.915 11.894 8.241 1.00 0.68 O ATOM 64 OP2 DC A 3 0.856 12.668 6.931 1.00 0.85 O ATOM 65 O5' DC A 3 2.356 10.882 6.020 1.00 0.64 O ATOM 66 C5' DC A 3 3.415 9.923 6.108 1.00 0.57 C ATOM 67 C4' DC A 3 3.869 9.456 4.728 1.00 0.50 C ATOM 68 O4' DC A 3 2.758 8.914 4.018 1.00 0.49 O ATOM 69 C3' DC A 3 4.460 10.570 3.853 1.00 0.53 C ATOM 70 O3' DC A 3 5.835 10.287 3.573 1.00 0.52 O ATOM 71 C2' DC A 3 3.655 10.524 2.553 1.00 0.52 C ATOM 72 C1' DC A 3 2.966 9.170 2.637 1.00 0.47 C ATOM 73 N1 DC A 3 1.656 9.115 1.962 1.00 0.49 N ATOM 74 C2 DC A 3 1.574 8.376 0.794 1.00 0.44 C ATOM 75 O2 DC A 3 2.567 7.797 0.359 1.00 0.42 O ATOM 76 N3 DC A 3 0.374 8.314 0.152 1.00 0.47 N ATOM 77 C4 DC A 3 -0.699 8.952 0.639 1.00 0.54 C ATOM 78 N4 DC A 3 -1.858 8.873 -0.016 1.00 0.58 N ATOM 79 C5 DC A 3 -0.617 9.716 1.847 1.00 0.62 C ATOM 80 C6 DC A 3 0.574 9.770 2.472 1.00 0.60 C ATOM 0 H5' DC A 3 3.081 9.065 6.691 1.00 0.57 H new ATOM 0 H5'' DC A 3 4.259 10.361 6.640 1.00 0.57 H new ATOM 0 H4' DC A 3 4.651 8.720 4.913 1.00 0.50 H new ATOM 0 H3' DC A 3 4.410 11.544 4.339 1.00 0.53 H new ATOM 0 H2' DC A 3 2.936 11.341 2.492 1.00 0.52 H new ATOM 0 H2'' DC A 3 4.297 10.598 1.676 1.00 0.52 H new ATOM 0 H1' DC A 3 3.600 8.438 2.136 1.00 0.47 H new ATOM 0 H41 DC A 3 -2.682 9.354 0.345 1.00 0.58 H new ATOM 0 H42 DC A 3 -1.921 8.331 -0.878 1.00 0.58 H new ATOM 0 H5 DC A 3 -1.480 10.231 2.243 1.00 0.62 H new ATOM 0 H6 DC A 3 0.674 10.337 3.386 1.00 0.60 H new ATOM 92 P DG A 4 6.715 11.312 2.696 1.00 0.56 P ATOM 93 OP1 DG A 4 8.146 11.041 2.958 1.00 0.56 O ATOM 94 OP2 DG A 4 6.176 12.676 2.901 1.00 0.64 O ATOM 95 O5' DG A 4 6.387 10.866 1.184 1.00 0.54 O ATOM 96 C5' DG A 4 7.133 9.820 0.554 1.00 0.51 C ATOM 97 C4' DG A 4 6.774 9.684 -0.924 1.00 0.51 C ATOM 98 O4' DG A 4 5.382 9.385 -1.058 1.00 0.52 O ATOM 99 C3' DG A 4 7.046 10.950 -1.746 1.00 0.53 C ATOM 100 O3' DG A 4 7.903 10.629 -2.846 1.00 0.54 O ATOM 101 C2' DG A 4 5.677 11.380 -2.266 1.00 0.52 C ATOM 102 C1' DG A 4 4.891 10.082 -2.197 1.00 0.51 C ATOM 103 N9 DG A 4 3.438 10.264 -2.026 1.00 0.51 N ATOM 104 C8 DG A 4 2.772 10.908 -1.019 1.00 0.52 C ATOM 105 N7 DG A 4 1.476 10.896 -1.147 1.00 0.52 N ATOM 106 C5 DG A 4 1.262 10.193 -2.328 1.00 0.51 C ATOM 107 C6 DG A 4 0.045 9.862 -2.982 1.00 0.52 C ATOM 108 O6 DG A 4 -1.104 10.128 -2.635 1.00 0.54 O ATOM 109 N1 DG A 4 0.273 9.148 -4.150 1.00 0.53 N ATOM 110 C2 DG A 4 1.516 8.794 -4.631 1.00 0.53 C ATOM 111 N2 DG A 4 1.534 8.107 -5.774 1.00 0.55 N ATOM 112 N3 DG A 4 2.663 9.103 -4.016 1.00 0.52 N ATOM 113 C4 DG A 4 2.459 9.802 -2.875 1.00 0.51 C ATOM 0 H5' DG A 4 6.939 8.876 1.064 1.00 0.51 H new ATOM 0 H5'' DG A 4 8.199 10.023 0.653 1.00 0.51 H new ATOM 0 H4' DG A 4 7.409 8.885 -1.307 1.00 0.51 H new ATOM 0 H3' DG A 4 7.530 11.732 -1.162 1.00 0.53 H new ATOM 0 H2' DG A 4 5.232 12.160 -1.648 1.00 0.52 H new ATOM 0 H2'' DG A 4 5.731 11.771 -3.282 1.00 0.52 H new ATOM 0 H1' DG A 4 5.024 9.553 -3.141 1.00 0.51 H new ATOM 0 H8 DG A 4 3.276 11.384 -0.191 1.00 0.52 H new ATOM 0 H1 DG A 4 -0.541 8.863 -4.694 1.00 0.53 H new ATOM 0 H21 DG A 4 2.423 7.816 -6.180 1.00 0.55 H new ATOM 0 H22 DG A 4 0.658 7.872 -6.242 1.00 0.55 H new ATOM 125 P DA A 5 8.320 11.762 -3.912 1.00 0.56 P ATOM 126 OP1 DA A 5 9.632 11.397 -4.490 1.00 0.63 O ATOM 127 OP2 DA A 5 8.138 13.085 -3.273 1.00 0.61 O ATOM 128 O5' DA A 5 7.201 11.599 -5.058 1.00 0.48 O ATOM 129 C5' DA A 5 7.309 10.559 -6.034 1.00 0.55 C ATOM 130 C4' DA A 5 6.211 10.665 -7.088 1.00 0.51 C ATOM 131 O4' DA A 5 4.936 10.489 -6.471 1.00 0.51 O ATOM 132 C3' DA A 5 6.181 12.017 -7.813 1.00 0.42 C ATOM 133 O3' DA A 5 6.305 11.807 -9.225 1.00 0.50 O ATOM 134 C2' DA A 5 4.804 12.598 -7.500 1.00 0.35 C ATOM 135 C1' DA A 5 4.015 11.360 -7.114 1.00 0.44 C ATOM 136 N9 DA A 5 2.906 11.620 -6.179 1.00 0.43 N ATOM 137 C8 DA A 5 2.941 12.241 -4.957 1.00 0.41 C ATOM 138 N7 DA A 5 1.777 12.329 -4.375 1.00 0.44 N ATOM 139 C5 DA A 5 0.908 11.721 -5.276 1.00 0.47 C ATOM 140 C6 DA A 5 -0.476 11.490 -5.250 1.00 0.54 C ATOM 141 N6 DA A 5 -1.259 11.865 -4.238 1.00 0.58 N ATOM 142 N1 DA A 5 -1.016 10.860 -6.307 1.00 0.58 N ATOM 143 C2 DA A 5 -0.230 10.492 -7.312 1.00 0.56 C ATOM 144 N3 DA A 5 1.076 10.651 -7.453 1.00 0.51 N ATOM 145 C4 DA A 5 1.588 11.285 -6.377 1.00 0.46 C ATOM 0 H5' DA A 5 7.249 9.589 -5.541 1.00 0.55 H new ATOM 0 H5'' DA A 5 8.285 10.612 -6.517 1.00 0.55 H new ATOM 0 H4' DA A 5 6.429 9.889 -7.822 1.00 0.51 H new ATOM 0 H3' DA A 5 6.991 12.676 -7.500 1.00 0.42 H new ATOM 0 H2' DA A 5 4.843 13.325 -6.689 1.00 0.35 H new ATOM 0 H2'' DA A 5 4.370 13.105 -8.362 1.00 0.35 H new ATOM 0 H1' DA A 5 3.565 10.949 -8.017 1.00 0.44 H new ATOM 0 H8 DA A 5 3.850 12.623 -4.516 1.00 0.41 H new ATOM 0 H61 DA A 5 -2.260 11.672 -4.269 1.00 0.58 H new ATOM 0 H62 DA A 5 -0.857 12.344 -3.433 1.00 0.58 H new ATOM 0 H2 DA A 5 -0.727 9.992 -8.130 1.00 0.56 H new ATOM 157 P DA A 6 6.424 13.063 -10.226 1.00 0.53 P ATOM 158 OP1 DA A 6 7.044 12.595 -11.486 1.00 0.72 O ATOM 159 OP2 DA A 6 7.028 14.190 -9.482 1.00 0.50 O ATOM 160 O5' DA A 6 4.884 13.427 -10.527 1.00 0.45 O ATOM 161 C5' DA A 6 4.153 12.712 -11.529 1.00 0.49 C ATOM 162 C4' DA A 6 2.764 13.306 -11.744 1.00 0.44 C ATOM 163 O4' DA A 6 2.003 13.211 -10.535 1.00 0.38 O ATOM 164 C3' DA A 6 2.772 14.785 -12.157 1.00 0.47 C ATOM 165 O3' DA A 6 1.957 14.959 -13.322 1.00 0.54 O ATOM 166 C2' DA A 6 2.138 15.507 -10.973 1.00 0.40 C ATOM 167 C1' DA A 6 1.258 14.414 -10.404 1.00 0.35 C ATOM 168 N9 DA A 6 0.907 14.589 -8.982 1.00 0.32 N ATOM 169 C8 DA A 6 1.733 14.754 -7.902 1.00 0.36 C ATOM 170 N7 DA A 6 1.100 14.908 -6.771 1.00 0.40 N ATOM 171 C5 DA A 6 -0.243 14.839 -7.131 1.00 0.39 C ATOM 172 C6 DA A 6 -1.433 14.931 -6.390 1.00 0.45 C ATOM 173 N6 DA A 6 -1.459 15.125 -5.071 1.00 0.56 N ATOM 174 N1 DA A 6 -2.590 14.818 -7.064 1.00 0.44 N ATOM 175 C2 DA A 6 -2.557 14.628 -8.378 1.00 0.38 C ATOM 176 N3 DA A 6 -1.511 14.526 -9.180 1.00 0.33 N ATOM 177 C4 DA A 6 -0.368 14.644 -8.476 1.00 0.33 C ATOM 0 H5' DA A 6 4.060 11.666 -11.236 1.00 0.49 H new ATOM 0 H5'' DA A 6 4.707 12.732 -12.468 1.00 0.49 H new ATOM 0 H4' DA A 6 2.327 12.729 -12.559 1.00 0.44 H new ATOM 0 H3' DA A 6 3.770 15.156 -12.391 1.00 0.47 H new ATOM 0 H2' DA A 6 2.882 15.853 -10.255 1.00 0.40 H new ATOM 0 H2'' DA A 6 1.563 16.380 -11.282 1.00 0.40 H new ATOM 0 H1' DA A 6 0.312 14.421 -10.945 1.00 0.35 H new ATOM 0 H8 DA A 6 2.810 14.756 -7.979 1.00 0.36 H new ATOM 0 H61 DA A 6 -2.352 15.184 -4.582 1.00 0.56 H new ATOM 0 H62 DA A 6 -0.586 15.214 -4.551 1.00 0.56 H new ATOM 0 H2 DA A 6 -3.520 14.545 -8.859 1.00 0.38 H new ATOM 189 P DG A 7 1.771 16.414 -13.989 1.00 0.67 P ATOM 190 OP1 DG A 7 1.232 16.232 -15.355 1.00 0.82 O ATOM 191 OP2 DG A 7 3.023 17.178 -13.786 1.00 0.73 O ATOM 192 O5' DG A 7 0.622 17.083 -13.078 1.00 0.63 O ATOM 193 C5' DG A 7 -0.727 16.605 -13.140 1.00 0.62 C ATOM 194 C4' DG A 7 -1.640 17.379 -12.192 1.00 0.64 C ATOM 195 O4' DG A 7 -1.052 17.418 -10.887 1.00 0.60 O ATOM 196 C3' DG A 7 -1.899 18.828 -12.618 1.00 0.75 C ATOM 197 O3' DG A 7 -3.301 19.104 -12.523 1.00 0.82 O ATOM 198 C2' DG A 7 -1.136 19.664 -11.599 1.00 0.73 C ATOM 199 C1' DG A 7 -1.148 18.751 -10.386 1.00 0.64 C ATOM 200 N9 DG A 7 -0.025 18.965 -9.455 1.00 0.60 N ATOM 201 C8 DG A 7 1.292 19.210 -9.741 1.00 0.58 C ATOM 202 N7 DG A 7 2.045 19.353 -8.686 1.00 0.62 N ATOM 203 C5 DG A 7 1.164 19.190 -7.622 1.00 0.67 C ATOM 204 C6 DG A 7 1.409 19.237 -6.222 1.00 0.77 C ATOM 205 O6 DG A 7 2.474 19.437 -5.640 1.00 0.84 O ATOM 206 N1 DG A 7 0.247 19.022 -5.495 1.00 0.84 N ATOM 207 C2 DG A 7 -0.998 18.789 -6.042 1.00 0.82 C ATOM 208 N2 DG A 7 -1.997 18.604 -5.180 1.00 0.93 N ATOM 209 N3 DG A 7 -1.229 18.743 -7.358 1.00 0.73 N ATOM 210 C4 DG A 7 -0.106 18.953 -8.083 1.00 0.65 C ATOM 0 H5' DG A 7 -0.751 15.545 -12.885 1.00 0.62 H new ATOM 0 H5'' DG A 7 -1.100 16.696 -14.160 1.00 0.62 H new ATOM 0 H4' DG A 7 -2.593 16.850 -12.206 1.00 0.64 H new ATOM 0 H3' DG A 7 -1.587 19.034 -13.642 1.00 0.75 H new ATOM 0 H2' DG A 7 -0.123 19.891 -11.931 1.00 0.73 H new ATOM 0 H2'' DG A 7 -1.627 20.616 -11.400 1.00 0.73 H new ATOM 0 H1' DG A 7 -2.058 18.955 -9.822 1.00 0.64 H new ATOM 0 H8 DG A 7 1.672 19.279 -10.749 1.00 0.58 H new ATOM 0 H1 DG A 7 0.319 19.037 -4.478 1.00 0.84 H new ATOM 0 H21 DG A 7 -2.941 18.427 -5.524 1.00 0.93 H new ATOM 0 H22 DG A 7 -1.818 18.639 -4.176 1.00 0.93 H new ATOM 222 P DC A 8 -3.871 20.586 -12.794 1.00 0.96 P ATOM 223 OP1 DC A 8 -5.067 20.470 -13.657 1.00 1.10 O ATOM 224 OP2 DC A 8 -2.742 21.448 -13.208 1.00 0.96 O ATOM 225 O5' DC A 8 -4.350 21.053 -11.328 1.00 0.99 O ATOM 226 C5' DC A 8 -5.259 20.248 -10.572 1.00 1.00 C ATOM 227 C4' DC A 8 -5.677 20.934 -9.273 1.00 1.02 C ATOM 228 O4' DC A 8 -4.516 21.378 -8.572 1.00 0.99 O ATOM 229 C3' DC A 8 -6.582 22.157 -9.474 1.00 1.08 C ATOM 230 O3' DC A 8 -7.784 21.987 -8.713 1.00 1.07 O ATOM 231 C2' DC A 8 -5.779 23.329 -8.915 1.00 1.16 C ATOM 232 C1' DC A 8 -4.820 22.630 -7.969 1.00 1.10 C ATOM 233 N1 DC A 8 -3.550 23.346 -7.751 1.00 1.15 N ATOM 234 C2 DC A 8 -3.447 24.130 -6.613 1.00 1.23 C ATOM 235 O2 DC A 8 -4.392 24.209 -5.832 1.00 1.27 O ATOM 236 N3 DC A 8 -2.281 24.798 -6.394 1.00 1.33 N ATOM 237 C4 DC A 8 -1.260 24.702 -7.256 1.00 1.30 C ATOM 238 N4 DC A 8 -0.132 25.369 -7.011 1.00 1.40 N ATOM 239 C5 DC A 8 -1.363 23.893 -8.431 1.00 1.25 C ATOM 240 C6 DC A 8 -2.520 23.236 -8.639 1.00 1.19 C ATOM 0 H5' DC A 8 -4.793 19.290 -10.343 1.00 1.00 H new ATOM 0 H5'' DC A 8 -6.144 20.037 -11.173 1.00 1.00 H new ATOM 0 H4' DC A 8 -6.242 20.186 -8.716 1.00 1.02 H new ATOM 0 H3' DC A 8 -6.863 22.307 -10.517 1.00 1.08 H new ATOM 0 H2' DC A 8 -5.254 23.875 -9.699 1.00 1.16 H new ATOM 0 H2'' DC A 8 -6.413 24.048 -8.396 1.00 1.16 H new ATOM 0 H1' DC A 8 -5.301 22.558 -6.993 1.00 1.10 H new ATOM 0 H41 DC A 8 0.651 25.303 -7.661 1.00 1.40 H new ATOM 0 H42 DC A 8 -0.052 25.946 -6.173 1.00 1.40 H new ATOM 0 H5 DC A 8 -0.541 23.812 -9.127 1.00 1.25 H new ATOM 0 H6 DC A 8 -2.634 22.617 -9.516 1.00 1.19 H new ATOM 252 P DA A 9 -8.873 23.172 -8.623 1.00 1.19 P ATOM 253 OP1 DA A 9 -8.949 23.830 -9.947 1.00 1.24 O ATOM 254 OP2 DA A 9 -8.581 23.978 -7.416 1.00 1.32 O ATOM 255 O5' DA A 9 -10.253 22.375 -8.376 1.00 1.11 O ATOM 256 C5' DA A 9 -10.567 21.835 -7.088 1.00 1.12 C ATOM 257 C4' DA A 9 -10.586 20.308 -7.113 1.00 0.98 C ATOM 258 O4' DA A 9 -9.303 19.825 -7.494 1.00 0.89 O ATOM 259 C3' DA A 9 -10.928 19.656 -5.763 1.00 1.02 C ATOM 260 O3' DA A 9 -12.123 18.873 -5.906 1.00 1.01 O ATOM 261 C2' DA A 9 -9.739 18.743 -5.455 1.00 0.95 C ATOM 262 C1' DA A 9 -9.091 18.593 -6.823 1.00 0.82 C ATOM 263 N9 DA A 9 -7.634 18.334 -6.816 1.00 0.78 N ATOM 264 C8 DA A 9 -6.696 18.618 -5.851 1.00 0.83 C ATOM 265 N7 DA A 9 -5.483 18.269 -6.178 1.00 0.77 N ATOM 266 C5 DA A 9 -5.625 17.717 -7.446 1.00 0.67 C ATOM 267 C6 DA A 9 -4.703 17.157 -8.347 1.00 0.60 C ATOM 268 N6 DA A 9 -3.398 17.059 -8.091 1.00 0.62 N ATOM 269 N1 DA A 9 -5.184 16.705 -9.518 1.00 0.55 N ATOM 270 C2 DA A 9 -6.484 16.807 -9.766 1.00 0.55 C ATOM 271 N3 DA A 9 -7.442 17.309 -9.006 1.00 0.61 N ATOM 272 C4 DA A 9 -6.931 17.752 -7.840 1.00 0.67 C ATOM 0 H5' DA A 9 -11.539 22.207 -6.763 1.00 1.12 H new ATOM 0 H5'' DA A 9 -9.834 22.179 -6.359 1.00 1.12 H new ATOM 0 H4' DA A 9 -11.369 20.040 -7.822 1.00 0.98 H new ATOM 0 H3' DA A 9 -11.098 20.387 -4.973 1.00 1.02 H new ATOM 0 H2' DA A 9 -9.060 19.189 -4.729 1.00 0.95 H new ATOM 0 H2'' DA A 9 -10.057 17.784 -5.047 1.00 0.95 H new ATOM 0 H1' DA A 9 -9.541 17.721 -7.298 1.00 0.82 H new ATOM 0 H8 DA A 9 -6.941 19.087 -4.909 1.00 0.83 H new ATOM 0 H61 DA A 9 -2.773 16.643 -8.781 1.00 0.62 H new ATOM 0 H62 DA A 9 -3.025 17.400 -7.205 1.00 0.62 H new ATOM 0 H2 DA A 9 -6.804 16.426 -10.724 1.00 0.55 H new ATOM 284 P DT A 10 -12.430 17.634 -4.919 1.00 1.03 P ATOM 285 OP1 DT A 10 -13.895 17.422 -4.881 1.00 1.12 O ATOM 286 OP2 DT A 10 -11.683 17.845 -3.659 1.00 1.12 O ATOM 287 O5' DT A 10 -11.764 16.394 -5.696 1.00 0.88 O ATOM 288 C5' DT A 10 -12.186 16.057 -7.021 1.00 0.79 C ATOM 289 C4' DT A 10 -11.193 15.118 -7.699 1.00 0.66 C ATOM 290 O4' DT A 10 -9.869 15.599 -7.485 1.00 0.64 O ATOM 291 C3' DT A 10 -11.238 13.680 -7.175 1.00 0.67 C ATOM 292 O3' DT A 10 -11.710 12.816 -8.214 1.00 0.64 O ATOM 293 C2' DT A 10 -9.788 13.330 -6.830 1.00 0.65 C ATOM 294 C1' DT A 10 -8.998 14.476 -7.447 1.00 0.59 C ATOM 295 N1 DT A 10 -7.801 14.862 -6.676 1.00 0.62 N ATOM 296 C2 DT A 10 -6.577 14.776 -7.312 1.00 0.56 C ATOM 297 O2 DT A 10 -6.472 14.408 -8.480 1.00 0.50 O ATOM 298 N3 DT A 10 -5.475 15.131 -6.556 1.00 0.59 N ATOM 299 C4 DT A 10 -5.492 15.562 -5.241 1.00 0.68 C ATOM 300 O4 DT A 10 -4.448 15.852 -4.663 1.00 0.73 O ATOM 301 C5 DT A 10 -6.815 15.622 -4.661 1.00 0.74 C ATOM 302 C7 DT A 10 -6.979 16.081 -3.216 1.00 0.86 C ATOM 303 C6 DT A 10 -7.904 15.279 -5.377 1.00 0.71 C ATOM 0 H5' DT A 10 -12.292 16.966 -7.613 1.00 0.79 H new ATOM 0 H5'' DT A 10 -13.168 15.585 -6.983 1.00 0.79 H new ATOM 0 H4' DT A 10 -11.473 15.102 -8.752 1.00 0.66 H new ATOM 0 H3' DT A 10 -11.898 13.571 -6.315 1.00 0.67 H new ATOM 0 H2' DT A 10 -9.634 13.269 -5.753 1.00 0.65 H new ATOM 0 H2'' DT A 10 -9.495 12.367 -7.249 1.00 0.65 H new ATOM 0 H1' DT A 10 -8.650 14.151 -8.427 1.00 0.59 H new ATOM 0 H3 DT A 10 -4.564 15.069 -7.010 1.00 0.59 H new ATOM 0 H71 DT A 10 -7.947 16.568 -3.097 1.00 0.86 H new ATOM 0 H72 DT A 10 -6.922 15.219 -2.552 1.00 0.86 H new ATOM 0 H73 DT A 10 -6.185 16.785 -2.966 1.00 0.86 H new ATOM 0 H6 DT A 10 -8.879 15.334 -4.916 1.00 0.71 H new ATOM 316 P DT A 11 -11.644 11.216 -8.040 1.00 0.69 P ATOM 317 OP1 DT A 11 -12.657 10.610 -8.931 1.00 0.72 O ATOM 318 OP2 DT A 11 -11.657 10.908 -6.592 1.00 0.78 O ATOM 319 O5' DT A 11 -10.185 10.859 -8.618 1.00 0.66 O ATOM 320 C5' DT A 11 -9.896 11.029 -10.008 1.00 0.61 C ATOM 321 C4' DT A 11 -8.534 10.445 -10.373 1.00 0.56 C ATOM 322 O4' DT A 11 -7.511 11.113 -9.631 1.00 0.54 O ATOM 323 C3' DT A 11 -8.403 8.946 -10.082 1.00 0.58 C ATOM 324 O3' DT A 11 -7.964 8.268 -11.263 1.00 0.55 O ATOM 325 C2' DT A 11 -7.328 8.854 -9.003 1.00 0.58 C ATOM 326 C1' DT A 11 -6.555 10.141 -9.222 1.00 0.52 C ATOM 327 N1 DT A 11 -5.876 10.654 -8.018 1.00 0.50 N ATOM 328 C2 DT A 11 -4.499 10.754 -8.055 1.00 0.45 C ATOM 329 O2 DT A 11 -3.846 10.425 -9.043 1.00 0.45 O ATOM 330 N3 DT A 11 -3.896 11.244 -6.910 1.00 0.43 N ATOM 331 C4 DT A 11 -4.543 11.636 -5.752 1.00 0.46 C ATOM 332 O4 DT A 11 -3.908 12.061 -4.791 1.00 0.46 O ATOM 333 C5 DT A 11 -5.980 11.496 -5.807 1.00 0.51 C ATOM 334 C7 DT A 11 -6.819 11.892 -4.597 1.00 0.56 C ATOM 335 C6 DT A 11 -6.592 11.019 -6.910 1.00 0.52 C ATOM 0 H5' DT A 11 -9.917 12.090 -10.258 1.00 0.61 H new ATOM 0 H5'' DT A 11 -10.671 10.546 -10.603 1.00 0.61 H new ATOM 0 H4' DT A 11 -8.430 10.590 -11.448 1.00 0.56 H new ATOM 0 H3' DT A 11 -9.344 8.495 -9.769 1.00 0.58 H new ATOM 0 H2' DT A 11 -7.757 8.800 -8.002 1.00 0.58 H new ATOM 0 H2'' DT A 11 -6.698 7.973 -9.128 1.00 0.58 H new ATOM 0 H1' DT A 11 -5.772 9.943 -9.954 1.00 0.52 H new ATOM 0 H3 DT A 11 -2.879 11.324 -6.921 1.00 0.43 H new ATOM 0 H71 DT A 11 -7.799 12.235 -4.930 1.00 0.56 H new ATOM 0 H72 DT A 11 -6.940 11.030 -3.940 1.00 0.56 H new ATOM 0 H73 DT A 11 -6.319 12.694 -4.054 1.00 0.56 H new ATOM 0 H6 DT A 11 -7.668 10.923 -6.919 1.00 0.52 H new ATOM 348 P DC A 12 -7.661 6.687 -11.229 1.00 0.56 P ATOM 349 OP1 DC A 12 -7.812 6.155 -12.602 1.00 0.56 O ATOM 350 OP2 DC A 12 -8.436 6.090 -10.119 1.00 0.62 O ATOM 351 O5' DC A 12 -6.100 6.634 -10.838 1.00 0.55 O ATOM 352 C5' DC A 12 -5.096 6.945 -11.810 1.00 0.60 C ATOM 353 C4' DC A 12 -3.694 6.668 -11.275 1.00 0.62 C ATOM 354 O4' DC A 12 -3.418 7.534 -10.169 1.00 0.63 O ATOM 355 C3' DC A 12 -3.494 5.229 -10.783 1.00 0.59 C ATOM 356 O3' DC A 12 -2.319 4.673 -11.386 1.00 0.63 O ATOM 357 C2' DC A 12 -3.286 5.369 -9.279 1.00 0.54 C ATOM 358 C1' DC A 12 -2.725 6.775 -9.186 1.00 0.59 C ATOM 359 N1 DC A 12 -2.921 7.427 -7.877 1.00 0.57 N ATOM 360 C2 DC A 12 -1.789 7.862 -7.207 1.00 0.58 C ATOM 361 O2 DC A 12 -0.678 7.698 -7.705 1.00 0.60 O ATOM 362 N3 DC A 12 -1.947 8.466 -5.998 1.00 0.57 N ATOM 363 C4 DC A 12 -3.166 8.635 -5.468 1.00 0.55 C ATOM 364 N4 DC A 12 -3.285 9.229 -4.280 1.00 0.56 N ATOM 365 C5 DC A 12 -4.337 8.187 -6.156 1.00 0.55 C ATOM 366 C6 DC A 12 -4.170 7.591 -7.352 1.00 0.55 C ATOM 0 H5' DC A 12 -5.177 7.994 -12.095 1.00 0.60 H new ATOM 0 H5'' DC A 12 -5.266 6.356 -12.711 1.00 0.60 H new ATOM 0 H4' DC A 12 -3.021 6.840 -12.115 1.00 0.62 H new ATOM 0 H3' DC A 12 -4.332 4.578 -11.031 1.00 0.59 H new ATOM 0 H2' DC A 12 -4.217 5.261 -8.723 1.00 0.54 H new ATOM 0 H2'' DC A 12 -2.593 4.623 -8.889 1.00 0.54 H new ATOM 0 H1' DC A 12 -1.646 6.722 -9.333 1.00 0.59 H new ATOM 0 H41 DC A 12 -4.208 9.363 -3.867 1.00 0.56 H new ATOM 0 H42 DC A 12 -2.453 9.549 -3.784 1.00 0.56 H new ATOM 0 H5 DC A 12 -5.321 8.322 -5.731 1.00 0.55 H new ATOM 0 H6 DC A 12 -5.032 7.240 -7.900 1.00 0.55 H new ATOM 378 P DG A 13 -1.908 3.140 -11.114 1.00 0.62 P ATOM 379 OP1 DG A 13 -1.107 2.661 -12.262 1.00 0.71 O ATOM 380 OP2 DG A 13 -3.124 2.403 -10.706 1.00 0.60 O ATOM 381 O5' DG A 13 -0.936 3.254 -9.835 1.00 0.57 O ATOM 382 C5' DG A 13 0.478 3.405 -10.005 1.00 0.61 C ATOM 383 C4' DG A 13 1.210 3.379 -8.666 1.00 0.55 C ATOM 384 O4' DG A 13 0.765 4.469 -7.851 1.00 0.55 O ATOM 385 C3' DG A 13 0.983 2.091 -7.865 1.00 0.46 C ATOM 386 O3' DG A 13 2.246 1.550 -7.462 1.00 0.49 O ATOM 387 C2' DG A 13 0.198 2.541 -6.637 1.00 0.39 C ATOM 388 C1' DG A 13 0.624 3.992 -6.517 1.00 0.46 C ATOM 389 N9 DG A 13 -0.356 4.849 -5.822 1.00 0.45 N ATOM 390 C8 DG A 13 -1.663 5.092 -6.150 1.00 0.46 C ATOM 391 N7 DG A 13 -2.278 5.886 -5.320 1.00 0.49 N ATOM 392 C5 DG A 13 -1.310 6.194 -4.371 1.00 0.47 C ATOM 393 C6 DG A 13 -1.398 7.018 -3.217 1.00 0.49 C ATOM 394 O6 DG A 13 -2.368 7.649 -2.802 1.00 0.55 O ATOM 395 N1 DG A 13 -0.194 7.060 -2.528 1.00 0.49 N ATOM 396 C2 DG A 13 0.955 6.392 -2.901 1.00 0.48 C ATOM 397 N2 DG A 13 2.016 6.555 -2.110 1.00 0.52 N ATOM 398 N3 DG A 13 1.039 5.615 -3.986 1.00 0.47 N ATOM 399 C4 DG A 13 -0.129 5.563 -4.670 1.00 0.45 C ATOM 0 H5' DG A 13 0.685 4.345 -10.516 1.00 0.61 H new ATOM 0 H5'' DG A 13 0.856 2.606 -10.643 1.00 0.61 H new ATOM 0 H4' DG A 13 2.271 3.449 -8.908 1.00 0.55 H new ATOM 0 H3' DG A 13 0.461 1.324 -8.437 1.00 0.46 H new ATOM 0 H2' DG A 13 -0.878 2.440 -6.779 1.00 0.39 H new ATOM 0 H2'' DG A 13 0.458 1.963 -5.750 1.00 0.39 H new ATOM 0 H1' DG A 13 1.539 4.036 -5.927 1.00 0.46 H new ATOM 0 H8 DG A 13 -2.141 4.664 -7.019 1.00 0.46 H new ATOM 0 H1 DG A 13 -0.155 7.628 -1.681 1.00 0.49 H new ATOM 0 H21 DG A 13 2.895 6.087 -2.333 1.00 0.52 H new ATOM 0 H22 DG A 13 1.949 7.147 -1.282 1.00 0.52 H new ATOM 411 P DC A 14 2.313 0.172 -6.631 1.00 0.47 P ATOM 412 OP1 DC A 14 3.547 -0.546 -7.021 1.00 0.58 O ATOM 413 OP2 DC A 14 1.000 -0.503 -6.747 1.00 0.50 O ATOM 414 O5' DC A 14 2.484 0.681 -5.113 1.00 0.41 O ATOM 415 C5' DC A 14 3.733 1.213 -4.666 1.00 0.52 C ATOM 416 C4' DC A 14 3.708 1.527 -3.172 1.00 0.50 C ATOM 417 O4' DC A 14 2.694 2.488 -2.901 1.00 0.37 O ATOM 418 C3' DC A 14 3.415 0.312 -2.284 1.00 0.57 C ATOM 419 O3' DC A 14 4.575 0.000 -1.505 1.00 0.77 O ATOM 420 C2' DC A 14 2.279 0.759 -1.361 1.00 0.43 C ATOM 421 C1' DC A 14 2.251 2.264 -1.571 1.00 0.31 C ATOM 422 N1 DC A 14 0.915 2.873 -1.427 1.00 0.23 N ATOM 423 C2 DC A 14 0.699 3.676 -0.320 1.00 0.32 C ATOM 424 O2 DC A 14 1.604 3.864 0.489 1.00 0.39 O ATOM 425 N3 DC A 14 -0.530 4.240 -0.161 1.00 0.43 N ATOM 426 C4 DC A 14 -1.506 4.025 -1.054 1.00 0.45 C ATOM 427 N4 DC A 14 -2.698 4.591 -0.869 1.00 0.61 N ATOM 428 C5 DC A 14 -1.285 3.197 -2.201 1.00 0.36 C ATOM 429 C6 DC A 14 -0.066 2.643 -2.347 1.00 0.25 C ATOM 0 H5' DC A 14 3.964 2.120 -5.225 1.00 0.52 H new ATOM 0 H5'' DC A 14 4.529 0.498 -4.875 1.00 0.52 H new ATOM 0 H4' DC A 14 4.708 1.891 -2.937 1.00 0.50 H new ATOM 0 H3' DC A 14 3.151 -0.572 -2.864 1.00 0.57 H new ATOM 0 H2' DC A 14 1.331 0.295 -1.632 1.00 0.43 H new ATOM 0 H2'' DC A 14 2.476 0.499 -0.321 1.00 0.43 H new ATOM 0 H1' DC A 14 2.878 2.722 -0.806 1.00 0.31 H new ATOM 0 H41 DC A 14 -3.447 4.434 -1.543 1.00 0.61 H new ATOM 0 H42 DC A 14 -2.861 5.182 -0.054 1.00 0.61 H new ATOM 0 H5 DC A 14 -2.068 3.023 -2.924 1.00 0.36 H new ATOM 0 H6 DC A 14 0.137 2.011 -3.199 1.00 0.25 H new ATOM 441 P DG A 15 4.512 -1.142 -0.369 1.00 0.93 P ATOM 442 OP1 DG A 15 5.861 -1.735 -0.232 1.00 1.12 O ATOM 443 OP2 DG A 15 3.350 -2.013 -0.653 1.00 0.92 O ATOM 444 O5' DG A 15 4.194 -0.297 0.965 1.00 0.96 O ATOM 445 C5' DG A 15 5.172 0.592 1.510 1.00 1.04 C ATOM 446 C4' DG A 15 4.817 1.019 2.932 1.00 1.13 C ATOM 447 O4' DG A 15 3.560 1.711 2.925 1.00 0.97 O ATOM 448 C3' DG A 15 4.678 -0.145 3.911 1.00 1.38 C ATOM 449 O3' DG A 15 5.162 0.210 5.211 1.00 1.50 O ATOM 450 C2' DG A 15 3.181 -0.390 3.929 1.00 1.34 C ATOM 451 C1' DG A 15 2.663 1.031 3.806 1.00 1.09 C ATOM 452 N9 DG A 15 1.304 1.136 3.240 1.00 1.03 N ATOM 453 C8 DG A 15 0.802 0.563 2.102 1.00 1.04 C ATOM 454 N7 DG A 15 -0.444 0.862 1.865 1.00 1.05 N ATOM 455 C5 DG A 15 -0.797 1.694 2.923 1.00 1.05 C ATOM 456 C6 DG A 15 -2.034 2.333 3.206 1.00 1.13 C ATOM 457 O6 DG A 15 -3.080 2.289 2.561 1.00 1.24 O ATOM 458 N1 DG A 15 -1.965 3.081 4.372 1.00 1.14 N ATOM 459 C2 DG A 15 -0.847 3.202 5.171 1.00 1.06 C ATOM 460 N2 DG A 15 -0.974 3.966 6.255 1.00 1.09 N ATOM 461 N3 DG A 15 0.318 2.602 4.906 1.00 1.01 N ATOM 462 C4 DG A 15 0.269 1.867 3.770 1.00 1.01 C ATOM 0 H5' DG A 15 5.256 1.474 0.875 1.00 1.04 H new ATOM 0 H5'' DG A 15 6.147 0.105 1.509 1.00 1.04 H new ATOM 0 H4' DG A 15 5.643 1.648 3.264 1.00 1.13 H new ATOM 0 H3' DG A 15 5.255 -1.023 3.622 1.00 1.38 H new ATOM 0 H2' DG A 15 2.855 -1.022 3.103 1.00 1.34 H new ATOM 0 H2'' DG A 15 2.852 -0.873 4.849 1.00 1.34 H new ATOM 0 HO3' DG A 15 5.059 -0.553 5.818 1.00 1.50 H new ATOM 0 H1' DG A 15 2.611 1.456 4.808 1.00 1.09 H new ATOM 0 H8 DG A 15 1.386 -0.079 1.459 1.00 1.04 H new ATOM 0 H1 DG A 15 -2.806 3.580 4.661 1.00 1.14 H new ATOM 0 H21 DG A 15 -0.182 4.094 6.885 1.00 1.09 H new ATOM 0 H22 DG A 15 -1.864 4.423 6.455 1.00 1.09 H new TER 475 DG A 15