USER MOD reduce.3.24.130724 H: found=0, std=0, add=235, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 235 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 12 DT C7 :methyl 150:sc= -1.62 (180deg=-1.62) USER MOD Single : A 21 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 21 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 12.084 9.557 -0.042 1.00 1.99 O ATOM 2 C5' DC A 1 10.803 9.574 -0.651 1.00 1.30 C ATOM 3 C4' DC A 1 10.035 8.329 -0.276 1.00 0.97 C ATOM 4 O4' DC A 1 8.817 8.264 -1.054 1.00 0.88 O ATOM 5 C3' DC A 1 10.782 7.007 -0.548 1.00 0.83 C ATOM 6 O3' DC A 1 10.892 6.243 0.660 1.00 0.74 O ATOM 7 C2' DC A 1 9.909 6.277 -1.570 1.00 0.79 C ATOM 8 C1' DC A 1 8.548 6.920 -1.366 1.00 0.74 C ATOM 9 N1 DC A 1 7.639 6.881 -2.534 1.00 0.75 N ATOM 10 C2 DC A 1 6.266 6.646 -2.311 1.00 0.66 C ATOM 11 O2 DC A 1 5.867 6.484 -1.147 1.00 0.60 O ATOM 12 N3 DC A 1 5.413 6.609 -3.373 1.00 0.69 N ATOM 13 C4 DC A 1 5.882 6.795 -4.618 1.00 0.84 C ATOM 14 N4 DC A 1 5.012 6.766 -5.628 1.00 0.90 N ATOM 15 C5 DC A 1 7.270 7.034 -4.875 1.00 0.96 C ATOM 16 C6 DC A 1 8.106 7.070 -3.817 1.00 0.90 C ATOM 0 H5' DC A 1 10.907 9.634 -1.734 1.00 1.30 H new ATOM 0 H5'' DC A 1 10.253 10.460 -0.334 1.00 1.30 H new ATOM 0 H4' DC A 1 9.867 8.415 0.797 1.00 0.97 H new ATOM 0 H3' DC A 1 11.797 7.166 -0.912 1.00 0.83 H new ATOM 0 H2' DC A 1 10.274 6.416 -2.588 1.00 0.79 H new ATOM 0 H2'' DC A 1 9.881 5.203 -1.385 1.00 0.79 H new ATOM 0 HO5' DC A 1 12.576 10.367 -0.292 1.00 1.99 H new ATOM 0 H1' DC A 1 8.025 6.360 -0.591 1.00 0.74 H new ATOM 0 H41 DC A 1 5.337 6.904 -6.585 1.00 0.90 H new ATOM 0 H42 DC A 1 4.022 6.606 -5.444 1.00 0.90 H new ATOM 0 H5 DC A 1 7.635 7.180 -5.881 1.00 0.96 H new ATOM 0 H6 DC A 1 9.159 7.250 -3.978 1.00 0.90 H new ATOM 29 P DG A 2 12.177 5.313 0.893 1.00 0.71 P ATOM 30 OP1 DG A 2 13.319 6.165 1.315 1.00 0.83 O ATOM 31 OP2 DG A 2 12.369 4.454 -0.303 1.00 0.89 O ATOM 32 O5' DG A 2 11.729 4.398 2.121 1.00 0.55 O ATOM 33 C5' DG A 2 11.713 4.898 3.458 1.00 0.46 C ATOM 34 C4' DG A 2 10.519 4.372 4.231 1.00 0.40 C ATOM 35 O4' DG A 2 9.305 4.594 3.460 1.00 0.36 O ATOM 36 C3' DG A 2 10.541 2.866 4.532 1.00 0.45 C ATOM 37 O3' DG A 2 9.911 2.618 5.796 1.00 0.55 O ATOM 38 C2' DG A 2 9.723 2.292 3.386 1.00 0.45 C ATOM 39 C1' DG A 2 8.660 3.356 3.200 1.00 0.39 C ATOM 40 N9 DG A 2 8.077 3.406 1.853 1.00 0.36 N ATOM 41 C8 DG A 2 8.751 3.434 0.655 1.00 0.38 C ATOM 42 N7 DG A 2 7.955 3.479 -0.380 1.00 0.40 N ATOM 43 C5 DG A 2 6.681 3.477 0.166 1.00 0.35 C ATOM 44 C6 DG A 2 5.402 3.511 -0.468 1.00 0.35 C ATOM 45 O6 DG A 2 5.152 3.549 -1.678 1.00 0.41 O ATOM 46 N1 DG A 2 4.356 3.494 0.468 1.00 0.32 N ATOM 47 C2 DG A 2 4.534 3.448 1.840 1.00 0.31 C ATOM 48 N2 DG A 2 3.430 3.438 2.601 1.00 0.31 N ATOM 49 N3 DG A 2 5.723 3.417 2.433 1.00 0.33 N ATOM 50 C4 DG A 2 6.743 3.433 1.546 1.00 0.34 C ATOM 0 H5' DG A 2 11.686 5.988 3.440 1.00 0.46 H new ATOM 0 H5'' DG A 2 12.633 4.610 3.967 1.00 0.46 H new ATOM 0 H4' DG A 2 10.556 4.912 5.177 1.00 0.40 H new ATOM 0 H3' DG A 2 11.539 2.433 4.601 1.00 0.45 H new ATOM 0 H2' DG A 2 10.322 2.151 2.486 1.00 0.45 H new ATOM 0 H2'' DG A 2 9.292 1.323 3.637 1.00 0.45 H new ATOM 0 H1' DG A 2 7.829 3.133 3.869 1.00 0.39 H new ATOM 0 H8 DG A 2 9.828 3.420 0.577 1.00 0.38 H new ATOM 0 H1 DG A 2 3.400 3.517 0.113 1.00 0.32 H new ATOM 0 H21 DG A 2 3.511 3.405 3.617 1.00 0.31 H new ATOM 0 H22 DG A 2 2.509 3.464 2.164 1.00 0.31 H new ATOM 62 P DG A 3 9.772 1.122 6.356 1.00 0.68 P ATOM 63 OP1 DG A 3 10.129 1.112 7.798 1.00 0.88 O ATOM 64 OP2 DG A 3 10.512 0.195 5.462 1.00 0.80 O ATOM 65 O5' DG A 3 8.205 0.851 6.210 1.00 0.51 O ATOM 66 C5' DG A 3 7.258 1.604 6.964 1.00 0.45 C ATOM 67 C4' DG A 3 5.867 1.017 6.847 1.00 0.36 C ATOM 68 O4' DG A 3 5.345 1.270 5.515 1.00 0.29 O ATOM 69 C3' DG A 3 5.782 -0.509 7.050 1.00 0.36 C ATOM 70 O3' DG A 3 4.670 -0.825 7.894 1.00 0.45 O ATOM 71 C2' DG A 3 5.563 -1.044 5.639 1.00 0.34 C ATOM 72 C1' DG A 3 4.783 0.082 4.994 1.00 0.28 C ATOM 73 N9 DG A 3 4.870 0.125 3.527 1.00 0.25 N ATOM 74 C8 DG A 3 6.013 0.138 2.762 1.00 0.28 C ATOM 75 N7 DG A 3 5.770 0.166 1.478 1.00 0.32 N ATOM 76 C5 DG A 3 4.389 0.169 1.388 1.00 0.28 C ATOM 77 C6 DG A 3 3.543 0.194 0.240 1.00 0.29 C ATOM 78 O6 DG A 3 3.879 0.215 -0.949 1.00 0.35 O ATOM 79 N1 DG A 3 2.188 0.190 0.591 1.00 0.25 N ATOM 80 C2 DG A 3 1.713 0.166 1.893 1.00 0.24 C ATOM 81 N2 DG A 3 0.381 0.164 2.045 1.00 0.26 N ATOM 82 N3 DG A 3 2.498 0.143 2.969 1.00 0.26 N ATOM 83 C4 DG A 3 3.815 0.146 2.647 1.00 0.25 C ATOM 0 H5' DG A 3 7.250 2.636 6.614 1.00 0.45 H new ATOM 0 H5'' DG A 3 7.559 1.625 8.011 1.00 0.45 H new ATOM 0 H4' DG A 3 5.300 1.499 7.644 1.00 0.36 H new ATOM 0 H3' DG A 3 6.665 -0.935 7.527 1.00 0.36 H new ATOM 0 H2' DG A 3 6.505 -1.235 5.124 1.00 0.34 H new ATOM 0 H2'' DG A 3 5.004 -1.980 5.639 1.00 0.34 H new ATOM 0 H1' DG A 3 3.725 -0.055 5.215 1.00 0.28 H new ATOM 0 H8 DG A 3 7.009 0.126 3.179 1.00 0.28 H new ATOM 0 H1 DG A 3 1.502 0.206 -0.164 1.00 0.25 H new ATOM 0 H21 DG A 3 -0.026 0.147 2.980 1.00 0.26 H new ATOM 0 H22 DG A 3 -0.226 0.180 1.225 1.00 0.26 H new ATOM 95 P DG A 4 4.471 -2.325 8.431 1.00 0.55 P ATOM 96 OP1 DG A 4 4.285 -2.289 9.904 1.00 0.66 O ATOM 97 OP2 DG A 4 5.561 -3.181 7.898 1.00 0.67 O ATOM 98 O5' DG A 4 3.094 -2.749 7.747 1.00 0.50 O ATOM 99 C5' DG A 4 1.873 -2.104 8.097 1.00 0.50 C ATOM 100 C4' DG A 4 0.721 -2.602 7.250 1.00 0.49 C ATOM 101 O4' DG A 4 0.975 -2.291 5.853 1.00 0.43 O ATOM 102 C3' DG A 4 0.478 -4.125 7.295 1.00 0.55 C ATOM 103 O3' DG A 4 -0.926 -4.411 7.298 1.00 0.62 O ATOM 104 C2' DG A 4 1.097 -4.605 5.991 1.00 0.48 C ATOM 105 C1' DG A 4 0.772 -3.447 5.070 1.00 0.41 C ATOM 106 N9 DG A 4 1.607 -3.346 3.864 1.00 0.33 N ATOM 107 C8 DG A 4 2.978 -3.284 3.802 1.00 0.31 C ATOM 108 N7 DG A 4 3.433 -3.187 2.581 1.00 0.28 N ATOM 109 C5 DG A 4 2.296 -3.186 1.788 1.00 0.26 C ATOM 110 C6 DG A 4 2.162 -3.101 0.372 1.00 0.26 C ATOM 111 O6 DG A 4 3.057 -3.013 -0.473 1.00 0.29 O ATOM 112 N1 DG A 4 0.822 -3.135 -0.029 1.00 0.25 N ATOM 113 C2 DG A 4 -0.254 -3.238 0.833 1.00 0.27 C ATOM 114 N2 DG A 4 -1.475 -3.258 0.268 1.00 0.28 N ATOM 115 N3 DG A 4 -0.139 -3.317 2.159 1.00 0.31 N ATOM 116 C4 DG A 4 1.157 -3.285 2.565 1.00 0.29 C ATOM 0 H5' DG A 4 1.980 -1.027 7.971 1.00 0.50 H new ATOM 0 H5'' DG A 4 1.655 -2.281 9.150 1.00 0.50 H new ATOM 0 H4' DG A 4 -0.153 -2.103 7.668 1.00 0.49 H new ATOM 0 H3' DG A 4 0.895 -4.599 8.183 1.00 0.55 H new ATOM 0 H2' DG A 4 2.171 -4.771 6.081 1.00 0.48 H new ATOM 0 H2'' DG A 4 0.658 -5.541 5.647 1.00 0.48 H new ATOM 0 H1' DG A 4 -0.242 -3.582 4.695 1.00 0.41 H new ATOM 0 H8 DG A 4 3.615 -3.313 4.674 1.00 0.31 H new ATOM 0 H1 DG A 4 0.625 -3.080 -1.028 1.00 0.25 H new ATOM 0 H21 DG A 4 -2.307 -3.333 0.854 1.00 0.28 H new ATOM 0 H22 DG A 4 -1.569 -3.199 -0.746 1.00 0.28 H new ATOM 128 P DC A 5 -1.778 -4.302 8.652 1.00 0.70 P ATOM 129 OP1 DC A 5 -1.274 -3.165 9.465 1.00 0.76 O ATOM 130 OP2 DC A 5 -1.818 -5.639 9.295 1.00 0.83 O ATOM 131 O5' DC A 5 -3.238 -3.945 8.106 1.00 0.62 O ATOM 132 C5' DC A 5 -3.580 -2.634 7.653 1.00 0.55 C ATOM 133 C4' DC A 5 -2.958 -2.334 6.303 1.00 0.46 C ATOM 134 O4' DC A 5 -3.354 -3.359 5.351 1.00 0.46 O ATOM 135 C3' DC A 5 -3.390 -1.000 5.673 1.00 0.44 C ATOM 136 O3' DC A 5 -2.301 -0.418 4.941 1.00 0.46 O ATOM 137 C2' DC A 5 -4.500 -1.421 4.723 1.00 0.42 C ATOM 138 C1' DC A 5 -3.997 -2.766 4.237 1.00 0.41 C ATOM 139 N1 DC A 5 -5.050 -3.678 3.768 1.00 0.42 N ATOM 140 C2 DC A 5 -4.982 -4.171 2.453 1.00 0.40 C ATOM 141 O2 DC A 5 -4.025 -3.833 1.739 1.00 0.40 O ATOM 142 N3 DC A 5 -5.959 -5.007 2.004 1.00 0.44 N ATOM 143 C4 DC A 5 -6.972 -5.350 2.817 1.00 0.51 C ATOM 144 N4 DC A 5 -7.930 -6.142 2.334 1.00 0.60 N ATOM 145 C5 DC A 5 -7.058 -4.867 4.162 1.00 0.56 C ATOM 146 C6 DC A 5 -6.087 -4.041 4.591 1.00 0.51 C ATOM 0 H5' DC A 5 -3.244 -1.897 8.382 1.00 0.55 H new ATOM 0 H5'' DC A 5 -4.664 -2.543 7.584 1.00 0.55 H new ATOM 0 H4' DC A 5 -1.886 -2.295 6.497 1.00 0.46 H new ATOM 0 H3' DC A 5 -3.702 -0.254 6.404 1.00 0.44 H new ATOM 0 H2' DC A 5 -5.462 -1.502 5.229 1.00 0.42 H new ATOM 0 H2'' DC A 5 -4.629 -0.712 3.905 1.00 0.42 H new ATOM 0 H1' DC A 5 -3.348 -2.600 3.377 1.00 0.41 H new ATOM 0 H41 DC A 5 -8.711 -6.419 2.929 1.00 0.60 H new ATOM 0 H42 DC A 5 -7.882 -6.471 1.370 1.00 0.60 H new ATOM 0 H5 DC A 5 -7.873 -5.156 4.809 1.00 0.56 H new ATOM 0 H6 DC A 5 -6.124 -3.657 5.600 1.00 0.51 H new ATOM 158 P DG A 6 -1.240 0.527 5.688 1.00 0.44 P ATOM 159 OP1 DG A 6 0.112 0.245 5.150 1.00 0.53 O ATOM 160 OP2 DG A 6 -1.435 0.414 7.156 1.00 0.48 O ATOM 161 O5' DG A 6 -1.674 1.982 5.207 1.00 0.41 O ATOM 162 C5' DG A 6 -2.650 2.755 5.906 1.00 0.43 C ATOM 163 C4' DG A 6 -3.630 3.392 4.942 1.00 0.39 C ATOM 164 O4' DG A 6 -2.902 4.165 3.951 1.00 0.36 O ATOM 165 C3' DG A 6 -4.472 2.402 4.139 1.00 0.35 C ATOM 166 O3' DG A 6 -5.742 2.978 3.814 1.00 0.36 O ATOM 167 C2' DG A 6 -3.635 2.193 2.888 1.00 0.29 C ATOM 168 C1' DG A 6 -3.031 3.571 2.661 1.00 0.28 C ATOM 169 N9 DG A 6 -1.703 3.552 2.022 1.00 0.24 N ATOM 170 C8 DG A 6 -0.478 3.580 2.647 1.00 0.24 C ATOM 171 N7 DG A 6 0.526 3.557 1.814 1.00 0.23 N ATOM 172 C5 DG A 6 -0.064 3.510 0.563 1.00 0.22 C ATOM 173 C6 DG A 6 0.532 3.469 -0.730 1.00 0.26 C ATOM 174 O6 DG A 6 1.735 3.468 -1.011 1.00 0.31 O ATOM 175 N1 DG A 6 -0.430 3.427 -1.745 1.00 0.26 N ATOM 176 C2 DG A 6 -1.797 3.424 -1.529 1.00 0.24 C ATOM 177 N2 DG A 6 -2.574 3.374 -2.617 1.00 0.26 N ATOM 178 N3 DG A 6 -2.361 3.463 -0.322 1.00 0.23 N ATOM 179 C4 DG A 6 -1.443 3.505 0.672 1.00 0.22 C ATOM 0 H5' DG A 6 -2.155 3.530 6.491 1.00 0.43 H new ATOM 0 H5'' DG A 6 -3.187 2.119 6.609 1.00 0.43 H new ATOM 0 H4' DG A 6 -4.290 3.985 5.574 1.00 0.39 H new ATOM 0 H3' DG A 6 -4.690 1.476 4.671 1.00 0.35 H new ATOM 0 H2' DG A 6 -2.868 1.433 3.036 1.00 0.29 H new ATOM 0 H2'' DG A 6 -4.243 1.872 2.042 1.00 0.29 H new ATOM 0 H1' DG A 6 -3.682 4.121 1.982 1.00 0.28 H new ATOM 0 H8 DG A 6 -0.359 3.617 3.720 1.00 0.24 H new ATOM 0 H1 DG A 6 -0.101 3.397 -2.710 1.00 0.26 H new ATOM 0 H21 DG A 6 -3.589 3.369 -2.519 1.00 0.26 H new ATOM 0 H22 DG A 6 -2.151 3.341 -3.545 1.00 0.26 H new ATOM 191 P DG A 7 -6.990 2.019 3.513 1.00 0.38 P ATOM 192 OP1 DG A 7 -8.223 2.844 3.409 1.00 0.47 O ATOM 193 OP2 DG A 7 -6.990 0.905 4.494 1.00 0.48 O ATOM 194 O5' DG A 7 -6.635 1.442 2.069 1.00 0.30 O ATOM 195 C5' DG A 7 -6.928 2.183 0.890 1.00 0.30 C ATOM 196 C4' DG A 7 -6.862 1.304 -0.337 1.00 0.24 C ATOM 197 O4' DG A 7 -5.539 1.400 -0.924 1.00 0.26 O ATOM 198 C3' DG A 7 -7.106 -0.196 -0.084 1.00 0.21 C ATOM 199 O3' DG A 7 -7.993 -0.710 -1.080 1.00 0.21 O ATOM 200 C2' DG A 7 -5.716 -0.810 -0.214 1.00 0.23 C ATOM 201 C1' DG A 7 -5.054 0.106 -1.218 1.00 0.24 C ATOM 202 N9 DG A 7 -3.591 0.128 -1.141 1.00 0.24 N ATOM 203 C8 DG A 7 -2.826 0.115 -0.002 1.00 0.25 C ATOM 204 N7 DG A 7 -1.546 0.137 -0.245 1.00 0.23 N ATOM 205 C5 DG A 7 -1.457 0.166 -1.624 1.00 0.22 C ATOM 206 C6 DG A 7 -0.312 0.196 -2.469 1.00 0.24 C ATOM 207 O6 DG A 7 0.878 0.207 -2.134 1.00 0.23 O ATOM 208 N1 DG A 7 -0.669 0.215 -3.824 1.00 0.26 N ATOM 209 C2 DG A 7 -1.971 0.206 -4.294 1.00 0.26 C ATOM 210 N2 DG A 7 -2.137 0.218 -5.627 1.00 0.29 N ATOM 211 N3 DG A 7 -3.044 0.180 -3.508 1.00 0.25 N ATOM 212 C4 DG A 7 -2.716 0.161 -2.194 1.00 0.23 C ATOM 0 H5' DG A 7 -6.221 3.006 0.789 1.00 0.30 H new ATOM 0 H5'' DG A 7 -7.921 2.624 0.972 1.00 0.30 H new ATOM 0 H4' DG A 7 -7.662 1.671 -0.981 1.00 0.24 H new ATOM 0 H3' DG A 7 -7.564 -0.412 0.881 1.00 0.21 H new ATOM 0 H2' DG A 7 -5.185 -0.822 0.738 1.00 0.23 H new ATOM 0 H2'' DG A 7 -5.758 -1.840 -0.568 1.00 0.23 H new ATOM 0 H1' DG A 7 -5.290 -0.247 -2.222 1.00 0.24 H new ATOM 0 H8 DG A 7 -3.242 0.089 0.994 1.00 0.25 H new ATOM 0 H1 DG A 7 0.083 0.237 -4.512 1.00 0.26 H new ATOM 0 H21 DG A 7 -3.077 0.212 -6.024 1.00 0.29 H new ATOM 0 H22 DG A 7 -1.323 0.233 -6.242 1.00 0.29 H new ATOM 224 P DG A 8 -8.343 -2.271 -1.122 1.00 0.23 P ATOM 225 OP1 DG A 8 -9.799 -2.427 -1.352 1.00 0.28 O ATOM 226 OP2 DG A 8 -7.766 -2.937 0.073 1.00 0.27 O ATOM 227 O5' DG A 8 -7.559 -2.758 -2.425 1.00 0.29 O ATOM 228 C5' DG A 8 -8.003 -2.385 -3.727 1.00 0.27 C ATOM 229 C4' DG A 8 -7.048 -2.862 -4.799 1.00 0.29 C ATOM 230 O4' DG A 8 -5.767 -2.230 -4.648 1.00 0.34 O ATOM 231 C3' DG A 8 -6.720 -4.344 -4.763 1.00 0.26 C ATOM 232 O3' DG A 8 -7.734 -5.089 -5.449 1.00 0.32 O ATOM 233 C2' DG A 8 -5.392 -4.408 -5.516 1.00 0.29 C ATOM 234 C1' DG A 8 -4.774 -3.017 -5.294 1.00 0.30 C ATOM 235 N9 DG A 8 -3.557 -3.013 -4.461 1.00 0.29 N ATOM 236 C8 DG A 8 -3.482 -3.004 -3.084 1.00 0.30 C ATOM 237 N7 DG A 8 -2.255 -3.013 -2.639 1.00 0.30 N ATOM 238 C5 DG A 8 -1.471 -3.025 -3.780 1.00 0.29 C ATOM 239 C6 DG A 8 -0.052 -3.036 -3.919 1.00 0.31 C ATOM 240 O6 DG A 8 0.797 -3.038 -3.024 1.00 0.33 O ATOM 241 N1 DG A 8 0.342 -3.045 -5.261 1.00 0.31 N ATOM 242 C2 DG A 8 -0.528 -3.042 -6.335 1.00 0.31 C ATOM 243 N2 DG A 8 0.028 -3.043 -7.561 1.00 0.33 N ATOM 244 N3 DG A 8 -1.857 -3.034 -6.215 1.00 0.29 N ATOM 245 C4 DG A 8 -2.258 -3.025 -4.917 1.00 0.28 C ATOM 0 H5' DG A 8 -8.100 -1.301 -3.782 1.00 0.27 H new ATOM 0 H5'' DG A 8 -8.993 -2.804 -3.908 1.00 0.27 H new ATOM 0 H4' DG A 8 -7.574 -2.619 -5.722 1.00 0.29 H new ATOM 0 H3' DG A 8 -6.665 -4.762 -3.758 1.00 0.26 H new ATOM 0 H2' DG A 8 -4.749 -5.198 -5.126 1.00 0.29 H new ATOM 0 H2'' DG A 8 -5.543 -4.614 -6.576 1.00 0.29 H new ATOM 0 H1' DG A 8 -4.469 -2.630 -6.266 1.00 0.30 H new ATOM 0 H8 DG A 8 -4.349 -2.991 -2.440 1.00 0.30 H new ATOM 0 H1 DG A 8 1.342 -3.054 -5.461 1.00 0.31 H new ATOM 0 H21 DG A 8 -0.566 -3.041 -8.390 1.00 0.33 H new ATOM 0 H22 DG A 8 1.043 -3.046 -7.661 1.00 0.33 H new ATOM 257 P DC A 9 -8.268 -6.472 -4.839 1.00 0.41 P ATOM 258 OP1 DC A 9 -7.191 -7.095 -4.024 1.00 0.50 O ATOM 259 OP2 DC A 9 -8.844 -7.281 -5.942 1.00 0.65 O ATOM 260 O5' DC A 9 -9.451 -5.998 -3.874 1.00 0.48 O ATOM 261 C5' DC A 9 -9.242 -5.796 -2.479 1.00 0.48 C ATOM 262 C4' DC A 9 -10.521 -6.017 -1.703 1.00 0.35 C ATOM 263 O4' DC A 9 -10.223 -6.008 -0.299 1.00 0.33 O ATOM 264 C3' DC A 9 -11.605 -4.938 -1.893 1.00 0.37 C ATOM 265 O3' DC A 9 -12.693 -5.475 -2.655 1.00 0.46 O ATOM 266 C2' DC A 9 -12.058 -4.578 -0.466 1.00 0.38 C ATOM 267 C1' DC A 9 -11.377 -5.626 0.404 1.00 0.28 C ATOM 268 N1 DC A 9 -10.976 -5.160 1.748 1.00 0.34 N ATOM 269 C2 DC A 9 -11.368 -5.916 2.868 1.00 0.59 C ATOM 270 O2 DC A 9 -12.037 -6.949 2.693 1.00 0.76 O ATOM 271 N3 DC A 9 -11.007 -5.500 4.113 1.00 0.71 N ATOM 272 C4 DC A 9 -10.284 -4.379 4.267 1.00 0.62 C ATOM 273 N4 DC A 9 -9.971 -4.002 5.507 1.00 0.78 N ATOM 274 C5 DC A 9 -9.865 -3.589 3.145 1.00 0.45 C ATOM 275 C6 DC A 9 -10.232 -4.012 1.914 1.00 0.33 C ATOM 0 H5' DC A 9 -8.877 -4.784 -2.305 1.00 0.48 H new ATOM 0 H5'' DC A 9 -8.472 -6.479 -2.120 1.00 0.48 H new ATOM 0 H4' DC A 9 -10.909 -6.962 -2.082 1.00 0.35 H new ATOM 0 H3' DC A 9 -11.241 -4.063 -2.432 1.00 0.37 H new ATOM 0 H2' DC A 9 -11.751 -3.569 -0.191 1.00 0.38 H new ATOM 0 H2'' DC A 9 -13.143 -4.619 -0.368 1.00 0.38 H new ATOM 0 H1' DC A 9 -12.089 -6.432 0.583 1.00 0.28 H new ATOM 0 H41 DC A 9 -9.423 -3.155 5.660 1.00 0.78 H new ATOM 0 H42 DC A 9 -10.280 -4.560 6.303 1.00 0.78 H new ATOM 0 H5 DC A 9 -9.279 -2.691 3.278 1.00 0.45 H new ATOM 0 H6 DC A 9 -9.937 -3.440 1.046 1.00 0.33 H new ATOM 287 P DG A 10 -13.838 -4.503 -3.230 1.00 0.54 P ATOM 288 OP1 DG A 10 -14.590 -3.906 -2.097 1.00 0.69 O ATOM 289 OP2 DG A 10 -14.620 -5.255 -4.243 1.00 0.67 O ATOM 290 O5' DG A 10 -13.012 -3.350 -3.968 1.00 0.45 O ATOM 291 C5' DG A 10 -13.596 -2.598 -5.035 1.00 0.50 C ATOM 292 C4' DG A 10 -13.120 -1.158 -5.037 1.00 0.49 C ATOM 293 O4' DG A 10 -13.328 -0.569 -3.723 1.00 0.44 O ATOM 294 C3' DG A 10 -11.628 -0.964 -5.350 1.00 0.46 C ATOM 295 O3' DG A 10 -11.436 0.193 -6.172 1.00 0.47 O ATOM 296 C2' DG A 10 -11.014 -0.739 -3.981 1.00 0.47 C ATOM 297 C1' DG A 10 -12.117 0.003 -3.256 1.00 0.43 C ATOM 298 N9 DG A 10 -12.073 -0.126 -1.790 1.00 0.43 N ATOM 299 C8 DG A 10 -12.564 -1.163 -1.033 1.00 0.45 C ATOM 300 N7 DG A 10 -12.362 -1.008 0.248 1.00 0.47 N ATOM 301 C5 DG A 10 -11.699 0.208 0.347 1.00 0.45 C ATOM 302 C6 DG A 10 -11.215 0.907 1.496 1.00 0.48 C ATOM 303 O6 DG A 10 -11.283 0.574 2.686 1.00 0.51 O ATOM 304 N1 DG A 10 -10.599 2.112 1.148 1.00 0.50 N ATOM 305 C2 DG A 10 -10.467 2.585 -0.142 1.00 0.50 C ATOM 306 N2 DG A 10 -9.851 3.769 -0.274 1.00 0.55 N ATOM 307 N3 DG A 10 -10.912 1.942 -1.221 1.00 0.46 N ATOM 308 C4 DG A 10 -11.515 0.767 -0.906 1.00 0.44 C ATOM 0 H5' DG A 10 -14.682 -2.621 -4.944 1.00 0.50 H new ATOM 0 H5'' DG A 10 -13.346 -3.065 -5.988 1.00 0.50 H new ATOM 0 H4' DG A 10 -13.701 -0.685 -5.829 1.00 0.49 H new ATOM 0 H3' DG A 10 -11.190 -1.804 -5.889 1.00 0.46 H new ATOM 0 H2' DG A 10 -10.762 -1.678 -3.488 1.00 0.47 H new ATOM 0 H2'' DG A 10 -10.097 -0.153 -4.037 1.00 0.47 H new ATOM 0 H1' DG A 10 -12.013 1.069 -3.460 1.00 0.43 H new ATOM 0 H8 DG A 10 -13.067 -2.020 -1.455 1.00 0.45 H new ATOM 0 H1 DG A 10 -10.219 2.684 1.902 1.00 0.50 H new ATOM 0 H21 DG A 10 -9.721 4.176 -1.200 1.00 0.55 H new ATOM 0 H22 DG A 10 -9.513 4.263 0.552 1.00 0.55 H new ATOM 320 P DC A 11 -11.356 0.031 -7.763 1.00 0.58 P ATOM 321 OP1 DC A 11 -12.303 -1.029 -8.193 1.00 0.68 O ATOM 322 OP2 DC A 11 -9.932 -0.120 -8.154 1.00 0.69 O ATOM 323 O5' DC A 11 -11.896 1.443 -8.275 1.00 0.74 O ATOM 324 C5' DC A 11 -11.246 2.151 -9.325 1.00 0.98 C ATOM 325 C4' DC A 11 -11.726 3.586 -9.400 1.00 0.96 C ATOM 326 O4' DC A 11 -13.142 3.599 -9.722 1.00 1.14 O ATOM 327 C3' DC A 11 -11.590 4.391 -8.101 1.00 0.67 C ATOM 328 O3' DC A 11 -11.305 5.763 -8.405 1.00 0.59 O ATOM 329 C2' DC A 11 -12.967 4.244 -7.472 1.00 0.73 C ATOM 330 C1' DC A 11 -13.876 4.244 -8.690 1.00 0.97 C ATOM 331 N1 DC A 11 -15.151 3.525 -8.504 1.00 1.20 N ATOM 332 C2 DC A 11 -16.358 4.242 -8.615 1.00 1.31 C ATOM 333 O2 DC A 11 -16.314 5.458 -8.867 1.00 1.24 O ATOM 334 N3 DC A 11 -17.539 3.588 -8.443 1.00 1.59 N ATOM 335 C4 DC A 11 -17.547 2.273 -8.172 1.00 1.74 C ATOM 336 N4 DC A 11 -18.727 1.674 -8.012 1.00 2.02 N ATOM 337 C5 DC A 11 -16.334 1.519 -8.054 1.00 1.63 C ATOM 338 C6 DC A 11 -15.171 2.178 -8.226 1.00 1.38 C ATOM 0 H5' DC A 11 -11.436 1.652 -10.275 1.00 0.98 H new ATOM 0 H5'' DC A 11 -10.168 2.134 -9.165 1.00 0.98 H new ATOM 0 H4' DC A 11 -11.089 4.048 -10.154 1.00 0.96 H new ATOM 0 H3' DC A 11 -10.786 4.052 -7.448 1.00 0.67 H new ATOM 0 H2' DC A 11 -13.056 3.322 -6.897 1.00 0.73 H new ATOM 0 H2'' DC A 11 -13.195 5.066 -6.793 1.00 0.73 H new ATOM 0 H1' DC A 11 -14.151 5.276 -8.911 1.00 0.97 H new ATOM 0 H41 DC A 11 -18.768 0.676 -7.805 1.00 2.02 H new ATOM 0 H42 DC A 11 -19.588 2.214 -8.096 1.00 2.02 H new ATOM 0 H5 DC A 11 -16.351 0.462 -7.835 1.00 1.63 H new ATOM 0 H6 DC A 11 -14.239 1.639 -8.144 1.00 1.38 H new ATOM 350 P DT A 12 -10.951 6.799 -7.230 1.00 0.48 P ATOM 351 OP1 DT A 12 -12.202 7.456 -6.770 1.00 0.59 O ATOM 352 OP2 DT A 12 -9.847 7.678 -7.692 1.00 0.65 O ATOM 353 O5' DT A 12 -10.404 5.854 -6.065 1.00 0.41 O ATOM 354 C5' DT A 12 -11.004 5.847 -4.771 1.00 0.46 C ATOM 355 C4' DT A 12 -10.177 5.035 -3.798 1.00 0.36 C ATOM 356 O4' DT A 12 -10.041 3.695 -4.293 1.00 0.35 O ATOM 357 C3' DT A 12 -8.745 5.516 -3.616 1.00 0.33 C ATOM 358 O3' DT A 12 -8.673 6.473 -2.549 1.00 0.44 O ATOM 359 C2' DT A 12 -7.988 4.245 -3.235 1.00 0.36 C ATOM 360 C1' DT A 12 -8.847 3.107 -3.796 1.00 0.32 C ATOM 361 N1 DT A 12 -8.209 2.339 -4.884 1.00 0.34 N ATOM 362 C2 DT A 12 -7.583 1.152 -4.550 1.00 0.43 C ATOM 363 O2 DT A 12 -7.538 0.728 -3.411 1.00 0.48 O ATOM 364 N3 DT A 12 -7.005 0.478 -5.601 1.00 0.52 N ATOM 365 C4 DT A 12 -6.991 0.868 -6.931 1.00 0.55 C ATOM 366 O4 DT A 12 -6.433 0.165 -7.768 1.00 0.69 O ATOM 367 C5 DT A 12 -7.667 2.127 -7.217 1.00 0.47 C ATOM 368 C7 DT A 12 -7.699 2.625 -8.627 1.00 0.58 C ATOM 369 C6 DT A 12 -8.238 2.796 -6.194 1.00 0.38 C ATOM 0 H5' DT A 12 -12.010 5.432 -4.834 1.00 0.46 H new ATOM 0 H5'' DT A 12 -11.103 6.869 -4.406 1.00 0.46 H new ATOM 0 H4' DT A 12 -10.710 5.123 -2.852 1.00 0.36 H new ATOM 0 H3' DT A 12 -8.343 6.005 -4.503 1.00 0.33 H new ATOM 0 H2' DT A 12 -6.986 4.235 -3.664 1.00 0.36 H new ATOM 0 H2'' DT A 12 -7.872 4.160 -2.154 1.00 0.36 H new ATOM 0 H1' DT A 12 -9.017 2.394 -2.989 1.00 0.32 H new ATOM 0 H3 DT A 12 -6.538 -0.401 -5.378 1.00 0.52 H new ATOM 0 H71 DT A 12 -8.607 3.207 -8.787 1.00 0.58 H new ATOM 0 H72 DT A 12 -6.828 3.254 -8.811 1.00 0.58 H new ATOM 0 H73 DT A 12 -7.685 1.778 -9.313 1.00 0.58 H new ATOM 0 H6 DT A 12 -8.740 3.729 -6.404 1.00 0.38 H new ATOM 382 P DA A 13 -8.218 7.990 -2.837 1.00 0.52 P ATOM 383 OP1 DA A 13 -8.835 8.876 -1.816 1.00 0.79 O ATOM 384 OP2 DA A 13 -8.481 8.309 -4.263 1.00 0.71 O ATOM 385 O5' DA A 13 -6.636 7.948 -2.586 1.00 0.38 O ATOM 386 C5' DA A 13 -5.806 7.017 -3.274 1.00 0.37 C ATOM 387 C4' DA A 13 -5.380 7.558 -4.617 1.00 0.35 C ATOM 388 O4' DA A 13 -4.046 8.115 -4.495 1.00 0.35 O ATOM 389 C3' DA A 13 -5.271 6.500 -5.710 1.00 0.39 C ATOM 390 O3' DA A 13 -5.507 7.088 -6.995 1.00 0.48 O ATOM 391 C2' DA A 13 -3.833 6.038 -5.592 1.00 0.38 C ATOM 392 C1' DA A 13 -3.104 7.317 -5.212 1.00 0.37 C ATOM 393 N9 DA A 13 -1.920 7.109 -4.360 1.00 0.38 N ATOM 394 C8 DA A 13 -1.872 6.976 -2.993 1.00 0.38 C ATOM 395 N7 DA A 13 -0.660 6.806 -2.517 1.00 0.41 N ATOM 396 C5 DA A 13 0.149 6.825 -3.646 1.00 0.45 C ATOM 397 C6 DA A 13 1.551 6.699 -3.825 1.00 0.53 C ATOM 398 N6 DA A 13 2.420 6.553 -2.819 1.00 0.55 N ATOM 399 N1 DA A 13 2.036 6.762 -5.092 1.00 0.59 N ATOM 400 C2 DA A 13 1.168 6.943 -6.106 1.00 0.56 C ATOM 401 N3 DA A 13 -0.164 7.078 -6.064 1.00 0.48 N ATOM 402 C4 DA A 13 -0.617 7.010 -4.791 1.00 0.43 C ATOM 0 H5' DA A 13 -6.343 6.078 -3.410 1.00 0.37 H new ATOM 0 H5'' DA A 13 -4.925 6.796 -2.671 1.00 0.37 H new ATOM 0 H4' DA A 13 -6.147 8.281 -4.895 1.00 0.35 H new ATOM 0 H3' DA A 13 -5.993 5.690 -5.606 1.00 0.39 H new ATOM 0 H2' DA A 13 -3.717 5.264 -4.833 1.00 0.38 H new ATOM 0 H2'' DA A 13 -3.462 5.623 -6.529 1.00 0.38 H new ATOM 0 H1' DA A 13 -2.735 7.783 -6.126 1.00 0.37 H new ATOM 0 H8 DA A 13 -2.751 7.008 -2.367 1.00 0.38 H new ATOM 0 H61 DA A 13 3.417 6.468 -3.015 1.00 0.55 H new ATOM 0 H62 DA A 13 2.085 6.527 -1.856 1.00 0.55 H new ATOM 0 H2 DA A 13 1.608 6.985 -7.091 1.00 0.56 H new ATOM 414 P DG A 14 -6.361 6.290 -8.093 1.00 0.59 P ATOM 415 OP1 DG A 14 -6.814 7.246 -9.137 1.00 0.79 O ATOM 416 OP2 DG A 14 -7.401 5.491 -7.402 1.00 0.72 O ATOM 417 O5' DG A 14 -5.276 5.305 -8.729 1.00 0.49 O ATOM 418 C5' DG A 14 -4.601 5.646 -9.936 1.00 0.53 C ATOM 419 C4' DG A 14 -3.517 4.644 -10.274 1.00 0.41 C ATOM 420 O4' DG A 14 -2.480 4.677 -9.255 1.00 0.35 O ATOM 421 C3' DG A 14 -3.973 3.169 -10.355 1.00 0.41 C ATOM 422 O3' DG A 14 -3.428 2.573 -11.536 1.00 0.51 O ATOM 423 C2' DG A 14 -3.365 2.544 -9.103 1.00 0.44 C ATOM 424 C1' DG A 14 -2.103 3.355 -8.944 1.00 0.29 C ATOM 425 N9 DG A 14 -1.510 3.337 -7.601 1.00 0.27 N ATOM 426 C8 DG A 14 -2.169 3.261 -6.398 1.00 0.28 C ATOM 427 N7 DG A 14 -1.363 3.267 -5.371 1.00 0.29 N ATOM 428 C5 DG A 14 -0.098 3.344 -5.925 1.00 0.30 C ATOM 429 C6 DG A 14 1.182 3.379 -5.298 1.00 0.34 C ATOM 430 O6 DG A 14 1.438 3.352 -4.089 1.00 0.38 O ATOM 431 N1 DG A 14 2.219 3.451 -6.236 1.00 0.36 N ATOM 432 C2 DG A 14 2.034 3.490 -7.610 1.00 0.34 C ATOM 433 N2 DG A 14 3.135 3.535 -8.372 1.00 0.37 N ATOM 434 N3 DG A 14 0.842 3.465 -8.197 1.00 0.31 N ATOM 435 C4 DG A 14 -0.172 3.390 -7.304 1.00 0.28 C ATOM 0 H5' DG A 14 -4.161 6.639 -9.839 1.00 0.53 H new ATOM 0 H5'' DG A 14 -5.320 5.694 -10.754 1.00 0.53 H new ATOM 0 H4' DG A 14 -3.179 4.950 -11.264 1.00 0.41 H new ATOM 0 H3' DG A 14 -5.054 3.040 -10.403 1.00 0.41 H new ATOM 0 H2' DG A 14 -4.023 2.635 -8.238 1.00 0.44 H new ATOM 0 H2'' DG A 14 -3.156 1.482 -9.235 1.00 0.44 H new ATOM 0 H1' DG A 14 -1.335 2.929 -9.590 1.00 0.29 H new ATOM 0 H8 DG A 14 -3.244 3.202 -6.311 1.00 0.28 H new ATOM 0 H1 DG A 14 3.176 3.477 -5.885 1.00 0.36 H new ATOM 0 H21 DG A 14 3.051 3.565 -9.388 1.00 0.37 H new ATOM 0 H22 DG A 14 4.057 3.539 -7.936 1.00 0.37 H new ATOM 447 P DG A 15 -3.897 1.114 -12.012 1.00 0.48 P ATOM 448 OP1 DG A 15 -4.789 1.255 -13.191 1.00 0.56 O ATOM 449 OP2 DG A 15 -4.417 0.356 -10.846 1.00 0.62 O ATOM 450 O5' DG A 15 -2.515 0.468 -12.483 1.00 0.38 O ATOM 451 C5' DG A 15 -1.707 1.111 -13.466 1.00 0.36 C ATOM 452 C4' DG A 15 -0.227 0.915 -13.197 1.00 0.32 C ATOM 453 O4' DG A 15 0.078 1.252 -11.815 1.00 0.33 O ATOM 454 C3' DG A 15 0.294 -0.521 -13.403 1.00 0.38 C ATOM 455 O3' DG A 15 1.462 -0.487 -14.231 1.00 0.44 O ATOM 456 C2' DG A 15 0.632 -0.993 -11.988 1.00 0.39 C ATOM 457 C1' DG A 15 0.991 0.306 -11.305 1.00 0.33 C ATOM 458 N9 DG A 15 0.883 0.285 -9.838 1.00 0.34 N ATOM 459 C8 DG A 15 -0.268 0.276 -9.085 1.00 0.37 C ATOM 460 N7 DG A 15 -0.039 0.255 -7.798 1.00 0.39 N ATOM 461 C5 DG A 15 1.342 0.248 -7.692 1.00 0.36 C ATOM 462 C6 DG A 15 2.178 0.227 -6.536 1.00 0.37 C ATOM 463 O6 DG A 15 1.834 0.210 -5.353 1.00 0.41 O ATOM 464 N1 DG A 15 3.535 0.227 -6.873 1.00 0.35 N ATOM 465 C2 DG A 15 4.022 0.244 -8.166 1.00 0.33 C ATOM 466 N2 DG A 15 5.355 0.229 -8.309 1.00 0.35 N ATOM 467 N3 DG A 15 3.248 0.265 -9.252 1.00 0.32 N ATOM 468 C4 DG A 15 1.928 0.266 -8.944 1.00 0.34 C ATOM 0 H5' DG A 15 -1.935 2.177 -13.483 1.00 0.36 H new ATOM 0 H5'' DG A 15 -1.952 0.717 -14.452 1.00 0.36 H new ATOM 0 H4' DG A 15 0.260 1.565 -13.924 1.00 0.32 H new ATOM 0 H3' DG A 15 -0.420 -1.182 -13.894 1.00 0.38 H new ATOM 0 H2' DG A 15 -0.214 -1.486 -11.509 1.00 0.39 H new ATOM 0 H2'' DG A 15 1.460 -1.701 -11.980 1.00 0.39 H new ATOM 0 H1' DG A 15 2.039 0.528 -11.506 1.00 0.33 H new ATOM 0 H8 DG A 15 -1.259 0.285 -9.513 1.00 0.37 H new ATOM 0 H1 DG A 15 4.213 0.214 -6.111 1.00 0.35 H new ATOM 0 H21 DG A 15 5.768 0.240 -9.242 1.00 0.35 H new ATOM 0 H22 DG A 15 5.956 0.206 -7.485 1.00 0.35 H new ATOM 480 P DG A 16 2.240 -1.841 -14.590 1.00 0.59 P ATOM 481 OP1 DG A 16 2.875 -1.694 -15.926 1.00 0.74 O ATOM 482 OP2 DG A 16 1.326 -2.992 -14.388 1.00 0.75 O ATOM 483 O5' DG A 16 3.383 -1.878 -13.477 1.00 0.43 O ATOM 484 C5' DG A 16 4.335 -0.824 -13.357 1.00 0.39 C ATOM 485 C4' DG A 16 5.601 -1.309 -12.695 1.00 0.24 C ATOM 486 O4' DG A 16 5.422 -1.283 -11.258 1.00 0.25 O ATOM 487 C3' DG A 16 6.006 -2.749 -13.041 1.00 0.28 C ATOM 488 O3' DG A 16 7.432 -2.852 -13.136 1.00 0.46 O ATOM 489 C2' DG A 16 5.488 -3.541 -11.849 1.00 0.33 C ATOM 490 C1' DG A 16 5.699 -2.560 -10.713 1.00 0.25 C ATOM 491 N9 DG A 16 4.839 -2.759 -9.533 1.00 0.30 N ATOM 492 C8 DG A 16 3.465 -2.847 -9.497 1.00 0.33 C ATOM 493 N7 DG A 16 2.989 -2.990 -8.285 1.00 0.38 N ATOM 494 C5 DG A 16 4.115 -3.000 -7.474 1.00 0.38 C ATOM 495 C6 DG A 16 4.232 -3.123 -6.056 1.00 0.44 C ATOM 496 O6 DG A 16 3.326 -3.241 -5.227 1.00 0.48 O ATOM 497 N1 DG A 16 5.569 -3.087 -5.635 1.00 0.43 N ATOM 498 C2 DG A 16 6.653 -2.949 -6.488 1.00 0.38 C ATOM 499 N2 DG A 16 7.871 -2.939 -5.929 1.00 0.40 N ATOM 500 N3 DG A 16 6.549 -2.832 -7.809 1.00 0.34 N ATOM 501 C4 DG A 16 5.264 -2.864 -8.231 1.00 0.34 C ATOM 0 H5' DG A 16 3.907 -0.007 -12.776 1.00 0.39 H new ATOM 0 H5'' DG A 16 4.567 -0.425 -14.344 1.00 0.39 H new ATOM 0 H4' DG A 16 6.381 -0.641 -13.061 1.00 0.24 H new ATOM 0 H3' DG A 16 5.610 -3.099 -13.994 1.00 0.28 H new ATOM 0 H2' DG A 16 4.439 -3.815 -11.964 1.00 0.33 H new ATOM 0 H2'' DG A 16 6.044 -4.466 -11.699 1.00 0.33 H new ATOM 0 H1' DG A 16 6.716 -2.693 -10.344 1.00 0.25 H new ATOM 0 H8 DG A 16 2.843 -2.803 -10.379 1.00 0.33 H new ATOM 0 H1 DG A 16 5.756 -3.168 -4.636 1.00 0.43 H new ATOM 0 H21 DG A 16 8.700 -2.840 -6.515 1.00 0.40 H new ATOM 0 H22 DG A 16 7.969 -3.031 -4.918 1.00 0.40 H new ATOM 513 P DA A 17 8.166 -2.481 -14.515 1.00 0.60 P ATOM 514 OP1 DA A 17 7.423 -3.101 -15.642 1.00 0.57 O ATOM 515 OP2 DA A 17 9.609 -2.808 -14.385 1.00 0.82 O ATOM 516 O5' DA A 17 7.992 -0.895 -14.593 1.00 0.75 O ATOM 517 C5' DA A 17 9.015 -0.004 -14.151 1.00 0.68 C ATOM 518 C4' DA A 17 8.738 1.419 -14.602 1.00 0.81 C ATOM 519 O4' DA A 17 8.675 1.459 -16.053 1.00 1.16 O ATOM 520 C3' DA A 17 7.408 2.007 -14.119 1.00 0.79 C ATOM 521 O3' DA A 17 7.532 3.423 -13.918 1.00 1.01 O ATOM 522 C2' DA A 17 6.470 1.712 -15.274 1.00 1.00 C ATOM 523 C1' DA A 17 7.381 1.870 -16.482 1.00 1.33 C ATOM 524 N9 DA A 17 6.993 1.053 -17.644 1.00 1.73 N ATOM 525 C8 DA A 17 7.357 -0.245 -17.928 1.00 1.92 C ATOM 526 N7 DA A 17 6.843 -0.708 -19.043 1.00 2.36 N ATOM 527 C5 DA A 17 6.088 0.351 -19.530 1.00 2.51 C ATOM 528 C6 DA A 17 5.287 0.502 -20.689 1.00 3.04 C ATOM 529 N6 DA A 17 5.112 -0.460 -21.600 1.00 3.43 N ATOM 530 N1 DA A 17 4.665 1.695 -20.879 1.00 3.21 N ATOM 531 C2 DA A 17 4.841 2.665 -19.962 1.00 2.90 C ATOM 532 N3 DA A 17 5.567 2.643 -18.835 1.00 2.37 N ATOM 533 C4 DA A 17 6.173 1.445 -18.675 1.00 2.17 C ATOM 0 H5' DA A 17 9.979 -0.331 -14.542 1.00 0.68 H new ATOM 0 H5'' DA A 17 9.084 -0.036 -13.064 1.00 0.68 H new ATOM 0 H4' DA A 17 9.550 2.005 -14.172 1.00 0.81 H new ATOM 0 H3' DA A 17 7.068 1.593 -13.170 1.00 0.79 H new ATOM 0 H2' DA A 17 6.050 0.708 -15.210 1.00 1.00 H new ATOM 0 H2'' DA A 17 5.631 2.407 -15.304 1.00 1.00 H new ATOM 0 H1' DA A 17 7.330 2.906 -16.817 1.00 1.33 H new ATOM 0 H8 DA A 17 8.006 -0.828 -17.291 1.00 1.92 H new ATOM 0 H61 DA A 17 4.522 -0.290 -22.415 1.00 3.43 H new ATOM 0 H62 DA A 17 5.568 -1.364 -21.481 1.00 3.43 H new ATOM 0 H2 DA A 17 4.324 3.592 -20.163 1.00 2.90 H new ATOM 545 P DG A 18 6.936 4.093 -12.586 1.00 0.97 P ATOM 546 OP1 DG A 18 5.769 3.294 -12.127 1.00 0.98 O ATOM 547 OP2 DG A 18 6.725 5.543 -12.828 1.00 1.34 O ATOM 548 O5' DG A 18 8.130 3.907 -11.551 1.00 0.72 O ATOM 549 C5' DG A 18 9.330 4.667 -11.656 1.00 0.60 C ATOM 550 C4' DG A 18 10.284 4.314 -10.533 1.00 0.46 C ATOM 551 O4' DG A 18 9.629 4.566 -9.258 1.00 0.51 O ATOM 552 C3' DG A 18 10.738 2.850 -10.493 1.00 0.37 C ATOM 553 O3' DG A 18 12.111 2.774 -10.070 1.00 0.39 O ATOM 554 C2' DG A 18 9.815 2.221 -9.452 1.00 0.38 C ATOM 555 C1' DG A 18 9.560 3.375 -8.484 1.00 0.47 C ATOM 556 N9 DG A 18 8.239 3.334 -7.810 1.00 0.46 N ATOM 557 C8 DG A 18 6.997 3.255 -8.408 1.00 0.47 C ATOM 558 N7 DG A 18 6.011 3.281 -7.559 1.00 0.47 N ATOM 559 C5 DG A 18 6.618 3.374 -6.325 1.00 0.46 C ATOM 560 C6 DG A 18 6.035 3.432 -5.028 1.00 0.47 C ATOM 561 O6 DG A 18 4.834 3.420 -4.736 1.00 0.49 O ATOM 562 N1 DG A 18 7.006 3.513 -4.026 1.00 0.49 N ATOM 563 C2 DG A 18 8.368 3.537 -4.253 1.00 0.49 C ATOM 564 N2 DG A 18 9.146 3.588 -3.163 1.00 0.52 N ATOM 565 N3 DG A 18 8.926 3.489 -5.466 1.00 0.48 N ATOM 566 C4 DG A 18 7.997 3.407 -6.452 1.00 0.46 C ATOM 0 H5' DG A 18 9.097 5.731 -11.622 1.00 0.60 H new ATOM 0 H5'' DG A 18 9.805 4.476 -12.618 1.00 0.60 H new ATOM 0 H4' DG A 18 11.164 4.931 -10.714 1.00 0.46 H new ATOM 0 H3' DG A 18 10.683 2.351 -11.460 1.00 0.37 H new ATOM 0 H2' DG A 18 8.890 1.856 -9.899 1.00 0.38 H new ATOM 0 H2'' DG A 18 10.285 1.372 -8.955 1.00 0.38 H new ATOM 0 H1' DG A 18 10.302 3.315 -7.688 1.00 0.47 H new ATOM 0 H8 DG A 18 6.857 3.179 -9.476 1.00 0.47 H new ATOM 0 H1 DG A 18 6.686 3.558 -3.059 1.00 0.49 H new ATOM 0 H21 DG A 18 10.161 3.608 -3.261 1.00 0.52 H new ATOM 0 H22 DG A 18 8.723 3.607 -2.235 1.00 0.52 H new ATOM 578 P DG A 19 12.848 1.346 -9.940 1.00 0.42 P ATOM 579 OP1 DG A 19 14.307 1.538 -10.139 1.00 0.52 O ATOM 580 OP2 DG A 19 12.157 0.365 -10.814 1.00 0.44 O ATOM 581 O5' DG A 19 12.580 0.968 -8.413 1.00 0.42 O ATOM 582 C5' DG A 19 13.071 1.792 -7.362 1.00 0.43 C ATOM 583 C4' DG A 19 12.784 1.189 -6.004 1.00 0.40 C ATOM 584 O4' DG A 19 11.388 1.391 -5.661 1.00 0.44 O ATOM 585 C3' DG A 19 13.024 -0.328 -5.890 1.00 0.39 C ATOM 586 O3' DG A 19 13.835 -0.590 -4.729 1.00 0.39 O ATOM 587 C2' DG A 19 11.613 -0.901 -5.721 1.00 0.42 C ATOM 588 C1' DG A 19 10.899 0.232 -5.024 1.00 0.41 C ATOM 589 N9 DG A 19 9.432 0.196 -5.135 1.00 0.43 N ATOM 590 C8 DG A 19 8.685 0.160 -6.286 1.00 0.46 C ATOM 591 N7 DG A 19 7.403 0.140 -6.064 1.00 0.45 N ATOM 592 C5 DG A 19 7.288 0.161 -4.690 1.00 0.40 C ATOM 593 C6 DG A 19 6.125 0.151 -3.870 1.00 0.38 C ATOM 594 O6 DG A 19 4.941 0.122 -4.232 1.00 0.39 O ATOM 595 N1 DG A 19 6.451 0.177 -2.507 1.00 0.35 N ATOM 596 C2 DG A 19 7.745 0.210 -2.009 1.00 0.35 C ATOM 597 N2 DG A 19 7.886 0.223 -0.674 1.00 0.35 N ATOM 598 N3 DG A 19 8.834 0.222 -2.775 1.00 0.37 N ATOM 599 C4 DG A 19 8.534 0.196 -4.095 1.00 0.39 C ATOM 0 H5' DG A 19 12.612 2.779 -7.427 1.00 0.43 H new ATOM 0 H5'' DG A 19 14.146 1.932 -7.480 1.00 0.43 H new ATOM 0 H4' DG A 19 13.483 1.696 -5.338 1.00 0.40 H new ATOM 0 H3' DG A 19 13.544 -0.763 -6.743 1.00 0.39 H new ATOM 0 H2' DG A 19 11.154 -1.145 -6.679 1.00 0.42 H new ATOM 0 H2'' DG A 19 11.611 -1.813 -5.125 1.00 0.42 H new ATOM 0 H1' DG A 19 11.091 0.181 -3.952 1.00 0.41 H new ATOM 0 H8 DG A 19 9.117 0.149 -7.276 1.00 0.46 H new ATOM 0 H1 DG A 19 5.684 0.171 -1.835 1.00 0.35 H new ATOM 0 H21 DG A 19 8.818 0.247 -0.260 1.00 0.35 H new ATOM 0 H22 DG A 19 7.061 0.209 -0.074 1.00 0.35 H new ATOM 611 P DG A 20 14.337 -2.080 -4.378 1.00 0.42 P ATOM 612 OP1 DG A 20 15.812 -2.060 -4.195 1.00 0.46 O ATOM 613 OP2 DG A 20 13.783 -3.031 -5.375 1.00 0.47 O ATOM 614 O5' DG A 20 13.644 -2.339 -2.965 1.00 0.43 O ATOM 615 C5' DG A 20 13.896 -1.482 -1.854 1.00 0.45 C ATOM 616 C4' DG A 20 13.256 -2.020 -0.591 1.00 0.42 C ATOM 617 O4' DG A 20 11.817 -1.807 -0.653 1.00 0.42 O ATOM 618 C3' DG A 20 13.445 -3.525 -0.363 1.00 0.45 C ATOM 619 O3' DG A 20 13.639 -3.801 1.037 1.00 0.57 O ATOM 620 C2' DG A 20 12.134 -4.109 -0.849 1.00 0.38 C ATOM 621 C1' DG A 20 11.139 -3.032 -0.444 1.00 0.36 C ATOM 622 N9 DG A 20 9.904 -3.032 -1.237 1.00 0.36 N ATOM 623 C8 DG A 20 9.801 -3.041 -2.608 1.00 0.44 C ATOM 624 N7 DG A 20 8.569 -3.074 -3.027 1.00 0.48 N ATOM 625 C5 DG A 20 7.809 -3.085 -1.874 1.00 0.40 C ATOM 626 C6 DG A 20 6.395 -3.119 -1.710 1.00 0.41 C ATOM 627 O6 DG A 20 5.530 -3.149 -2.592 1.00 0.49 O ATOM 628 N1 DG A 20 6.027 -3.118 -0.360 1.00 0.35 N ATOM 629 C2 DG A 20 6.920 -3.089 0.697 1.00 0.32 C ATOM 630 N2 DG A 20 6.390 -3.096 1.928 1.00 0.34 N ATOM 631 N3 DG A 20 8.245 -3.059 0.551 1.00 0.32 N ATOM 632 C4 DG A 20 8.617 -3.059 -0.754 1.00 0.33 C ATOM 0 H5' DG A 20 13.509 -0.485 -2.065 1.00 0.45 H new ATOM 0 H5'' DG A 20 14.971 -1.381 -1.706 1.00 0.45 H new ATOM 0 H4' DG A 20 13.749 -1.485 0.220 1.00 0.42 H new ATOM 0 H3' DG A 20 14.315 -3.937 -0.875 1.00 0.45 H new ATOM 0 H2' DG A 20 12.137 -4.278 -1.926 1.00 0.38 H new ATOM 0 H2'' DG A 20 11.914 -5.066 -0.377 1.00 0.38 H new ATOM 0 H1' DG A 20 10.824 -3.202 0.586 1.00 0.36 H new ATOM 0 H8 DG A 20 10.655 -3.023 -3.269 1.00 0.44 H new ATOM 0 H1 DG A 20 5.031 -3.140 -0.140 1.00 0.35 H new ATOM 0 H21 DG A 20 6.999 -3.076 2.746 1.00 0.34 H new ATOM 0 H22 DG A 20 5.377 -3.122 2.047 1.00 0.34 H new ATOM 644 P DT A 21 14.304 -5.192 1.510 1.00 0.78 P ATOM 645 OP1 DT A 21 14.829 -5.031 2.891 1.00 0.95 O ATOM 646 OP2 DT A 21 15.255 -5.649 0.464 1.00 0.87 O ATOM 647 O5' DT A 21 13.054 -6.182 1.542 1.00 0.92 O ATOM 648 C5' DT A 21 12.275 -6.355 2.723 1.00 1.03 C ATOM 649 C4' DT A 21 11.115 -7.296 2.471 1.00 0.93 C ATOM 650 O4' DT A 21 10.196 -6.690 1.535 1.00 0.70 O ATOM 651 C3' DT A 21 11.490 -8.627 1.835 1.00 1.03 C ATOM 652 O3' DT A 21 11.853 -9.586 2.830 1.00 1.36 O ATOM 653 C2' DT A 21 10.201 -9.033 1.137 1.00 0.86 C ATOM 654 C1' DT A 21 9.591 -7.691 0.724 1.00 0.61 C ATOM 655 N1 DT A 21 9.794 -7.324 -0.692 1.00 0.72 N ATOM 656 C2 DT A 21 8.731 -6.740 -1.369 1.00 0.89 C ATOM 657 O2 DT A 21 7.647 -6.533 -0.850 1.00 0.96 O ATOM 658 N3 DT A 21 8.991 -6.406 -2.681 1.00 1.19 N ATOM 659 C4 DT A 21 10.181 -6.594 -3.369 1.00 1.32 C ATOM 660 O4 DT A 21 10.268 -6.243 -4.543 1.00 1.64 O ATOM 661 C5 DT A 21 11.253 -7.212 -2.601 1.00 1.20 C ATOM 662 C7 DT A 21 12.574 -7.450 -3.263 1.00 1.50 C ATOM 663 C6 DT A 21 11.016 -7.544 -1.318 1.00 0.94 C ATOM 0 H5' DT A 21 11.899 -5.389 3.060 1.00 1.03 H new ATOM 0 H5'' DT A 21 12.902 -6.750 3.523 1.00 1.03 H new ATOM 0 H4' DT A 21 10.700 -7.479 3.462 1.00 0.93 H new ATOM 0 H3' DT A 21 12.348 -8.562 1.166 1.00 1.03 H new ATOM 0 H2' DT A 21 10.394 -9.671 0.274 1.00 0.86 H new ATOM 0 H2'' DT A 21 9.540 -9.588 1.803 1.00 0.86 H new ATOM 0 HO3' DT A 21 12.088 -10.433 2.397 1.00 1.36 H new ATOM 0 H1' DT A 21 8.513 -7.775 0.858 1.00 0.61 H new ATOM 0 H3 DT A 21 8.227 -5.975 -3.201 1.00 1.19 H new ATOM 0 H71 DT A 21 13.369 -7.397 -2.519 1.00 1.50 H new ATOM 0 H72 DT A 21 12.576 -8.437 -3.726 1.00 1.50 H new ATOM 0 H73 DT A 21 12.740 -6.690 -4.027 1.00 1.50 H new ATOM 0 H6 DT A 21 11.811 -8.002 -0.749 1.00 0.94 H new TER 677 DT A 21