USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 173 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 DT C7 :methyl -30:sc= 0 (180deg=0) USER MOD Set 1.2: A 4 DT C7 :methyl 150:sc= -0.128 (180deg=-0.128) USER MOD Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= -0.057 (180deg=-0.057) USER MOD Single : A 12 DT C7 :methyl 150:sc= -0.475 (180deg=-0.475) USER MOD Single : A 13 DT C7 :methyl 150:sc= -0.223 (180deg=-0.223) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.154 8.201 -0.204 1.00 0.00 O ATOM 2 C5' DG A 1 -2.754 8.410 0.007 1.00 0.00 C ATOM 3 C4' DG A 1 -2.451 8.818 1.456 1.00 0.00 C ATOM 4 O4' DG A 1 -2.856 7.827 2.418 1.00 0.00 O ATOM 5 C3' DG A 1 -0.983 9.058 1.718 1.00 0.00 C ATOM 6 O3' DG A 1 -0.737 10.083 2.687 1.00 0.00 O ATOM 7 C2' DG A 1 -0.537 7.714 2.158 1.00 0.00 C ATOM 8 C1' DG A 1 -1.663 7.289 3.028 1.00 0.00 C ATOM 9 N9 DG A 1 -1.694 5.827 3.127 1.00 0.00 N ATOM 10 C8 DG A 1 -1.373 5.037 4.168 1.00 0.00 C ATOM 11 N7 DG A 1 -1.496 3.749 3.982 1.00 0.00 N ATOM 12 C5 DG A 1 -1.949 3.696 2.660 1.00 0.00 C ATOM 13 C6 DG A 1 -2.279 2.582 1.839 1.00 0.00 C ATOM 14 O6 DG A 1 -2.239 1.390 2.125 1.00 0.00 O ATOM 15 N1 DG A 1 -2.693 2.979 0.572 1.00 0.00 N ATOM 16 C2 DG A 1 -2.776 4.297 0.153 1.00 0.00 C ATOM 17 N2 DG A 1 -3.188 4.561 -1.078 1.00 0.00 N ATOM 18 N3 DG A 1 -2.468 5.334 0.920 1.00 0.00 N ATOM 19 C4 DG A 1 -2.068 4.962 2.146 1.00 0.00 C ATOM 0 H5' DG A 1 -2.396 9.184 -0.671 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.210 7.497 -0.235 1.00 0.00 H new ATOM 0 H4' DG A 1 -3.022 9.739 1.574 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.442 9.437 0.851 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.392 7.036 1.317 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.407 7.754 2.702 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.309 7.944 -1.137 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.566 7.657 4.050 1.00 0.00 H new ATOM 0 H8 DG A 1 -1.032 5.446 5.108 1.00 0.00 H new ATOM 0 H1 DG A 1 -2.953 2.251 -0.093 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.253 5.527 -1.398 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.440 3.798 -1.706 1.00 0.00 H new ATOM 32 P DG A 2 0.563 11.033 2.571 1.00 0.00 P ATOM 33 OP1 DG A 2 0.401 12.136 3.546 1.00 0.00 O ATOM 34 OP2 DG A 2 0.775 11.348 1.140 1.00 0.00 O ATOM 35 O5' DG A 2 1.779 10.083 3.055 1.00 0.00 O ATOM 36 C5' DG A 2 2.197 10.017 4.425 1.00 0.00 C ATOM 37 C4' DG A 2 3.323 9.005 4.646 1.00 0.00 C ATOM 38 O4' DG A 2 2.890 7.663 4.397 1.00 0.00 O ATOM 39 C3' DG A 2 4.585 9.284 3.838 1.00 0.00 C ATOM 40 O3' DG A 2 5.701 9.185 4.730 1.00 0.00 O ATOM 41 C2' DG A 2 4.576 8.124 2.873 1.00 0.00 C ATOM 42 C1' DG A 2 3.888 6.998 3.625 1.00 0.00 C ATOM 43 N9 DG A 2 3.188 6.085 2.720 1.00 0.00 N ATOM 44 C8 DG A 2 2.528 6.401 1.591 1.00 0.00 C ATOM 45 N7 DG A 2 1.971 5.420 0.953 1.00 0.00 N ATOM 46 C5 DG A 2 2.300 4.328 1.753 1.00 0.00 C ATOM 47 C6 DG A 2 1.981 2.955 1.595 1.00 0.00 C ATOM 48 O6 DG A 2 1.333 2.424 0.699 1.00 0.00 O ATOM 49 N1 DG A 2 2.504 2.187 2.622 1.00 0.00 N ATOM 50 C2 DG A 2 3.244 2.681 3.678 1.00 0.00 C ATOM 51 N2 DG A 2 3.669 1.804 4.583 1.00 0.00 N ATOM 52 N3 DG A 2 3.547 3.970 3.830 1.00 0.00 N ATOM 53 C4 DG A 2 3.044 4.730 2.836 1.00 0.00 C ATOM 0 H5' DG A 2 1.344 9.749 5.049 1.00 0.00 H new ATOM 0 H5'' DG A 2 2.531 11.003 4.748 1.00 0.00 H new ATOM 0 H4' DG A 2 3.584 9.120 5.698 1.00 0.00 H new ATOM 0 H3' DG A 2 4.637 10.257 3.349 1.00 0.00 H new ATOM 0 H2' DG A 2 4.039 8.375 1.958 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.588 7.844 2.582 1.00 0.00 H new ATOM 0 H1' DG A 2 4.611 6.416 4.196 1.00 0.00 H new ATOM 0 H8 DG A 2 2.466 7.419 1.235 1.00 0.00 H new ATOM 0 H1 DG A 2 2.330 1.182 2.596 1.00 0.00 H new ATOM 0 H21 DG A 2 4.219 2.121 5.381 1.00 0.00 H new ATOM 0 H22 DG A 2 3.445 0.814 4.479 1.00 0.00 H new ATOM 65 P DT A 3 6.738 10.391 4.985 1.00 0.00 P ATOM 66 OP1 DT A 3 7.630 9.999 6.099 1.00 0.00 O ATOM 67 OP2 DT A 3 5.976 11.658 5.056 1.00 0.00 O ATOM 68 O5' DT A 3 7.592 10.362 3.619 1.00 0.00 O ATOM 69 C5' DT A 3 7.806 11.488 2.754 1.00 0.00 C ATOM 70 C4' DT A 3 8.076 11.010 1.325 1.00 0.00 C ATOM 71 O4' DT A 3 9.146 10.054 1.380 1.00 0.00 O ATOM 72 C3' DT A 3 6.878 10.249 0.737 1.00 0.00 C ATOM 73 O3' DT A 3 6.088 11.037 -0.164 1.00 0.00 O ATOM 74 C2' DT A 3 7.530 9.110 -0.021 1.00 0.00 C ATOM 75 C1' DT A 3 9.016 9.193 0.245 1.00 0.00 C ATOM 76 N1 DT A 3 9.586 7.849 0.533 1.00 0.00 N ATOM 77 C2 DT A 3 10.390 7.246 -0.427 1.00 0.00 C ATOM 78 O2 DT A 3 10.650 7.769 -1.510 1.00 0.00 O ATOM 79 N3 DT A 3 10.896 6.000 -0.095 1.00 0.00 N ATOM 80 C4 DT A 3 10.672 5.312 1.085 1.00 0.00 C ATOM 81 O4 DT A 3 11.179 4.206 1.264 1.00 0.00 O ATOM 82 C5 DT A 3 9.823 6.014 2.024 1.00 0.00 C ATOM 83 C7 DT A 3 9.485 5.382 3.378 1.00 0.00 C ATOM 84 C6 DT A 3 9.318 7.227 1.727 1.00 0.00 C ATOM 0 H5' DT A 3 8.649 12.078 3.114 1.00 0.00 H new ATOM 0 H5'' DT A 3 6.932 12.139 2.769 1.00 0.00 H new ATOM 0 H4' DT A 3 8.294 11.887 0.716 1.00 0.00 H new ATOM 0 H3' DT A 3 6.185 9.941 1.520 1.00 0.00 H new ATOM 0 H2' DT A 3 7.133 8.150 0.309 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.325 9.190 -1.088 1.00 0.00 H new ATOM 0 H1' DT A 3 9.559 9.573 -0.620 1.00 0.00 H new ATOM 0 H3 DT A 3 11.491 5.545 -0.787 1.00 0.00 H new ATOM 0 H71 DT A 3 9.481 4.296 3.282 1.00 0.00 H new ATOM 0 H72 DT A 3 10.232 5.678 4.114 1.00 0.00 H new ATOM 0 H73 DT A 3 8.501 5.721 3.703 1.00 0.00 H new ATOM 0 H6 DT A 3 8.685 7.724 2.448 1.00 0.00 H new ATOM 97 P DT A 4 4.551 10.658 -0.506 1.00 0.00 P ATOM 98 OP1 DT A 4 4.027 11.699 -1.419 1.00 0.00 O ATOM 99 OP2 DT A 4 3.850 10.389 0.769 1.00 0.00 O ATOM 100 O5' DT A 4 4.633 9.261 -1.323 1.00 0.00 O ATOM 101 C5' DT A 4 4.768 9.156 -2.749 1.00 0.00 C ATOM 102 C4' DT A 4 4.206 7.810 -3.257 1.00 0.00 C ATOM 103 O4' DT A 4 4.874 6.618 -2.861 1.00 0.00 O ATOM 104 C3' DT A 4 2.720 7.612 -2.971 1.00 0.00 C ATOM 105 O3' DT A 4 1.848 7.576 -4.109 1.00 0.00 O ATOM 106 C2' DT A 4 2.735 6.306 -2.266 1.00 0.00 C ATOM 107 C1' DT A 4 3.903 5.550 -2.803 1.00 0.00 C ATOM 108 N1 DT A 4 4.346 4.586 -1.780 1.00 0.00 N ATOM 109 C2 DT A 4 4.037 3.238 -1.844 1.00 0.00 C ATOM 110 O2 DT A 4 3.378 2.730 -2.750 1.00 0.00 O ATOM 111 N3 DT A 4 4.532 2.469 -0.804 1.00 0.00 N ATOM 112 C4 DT A 4 5.284 2.930 0.269 1.00 0.00 C ATOM 113 O4 DT A 4 5.666 2.147 1.136 1.00 0.00 O ATOM 114 C5 DT A 4 5.552 4.355 0.243 1.00 0.00 C ATOM 115 C7 DT A 4 6.389 4.988 1.365 1.00 0.00 C ATOM 116 C6 DT A 4 5.072 5.111 -0.769 1.00 0.00 C ATOM 0 H5' DT A 4 5.818 9.244 -3.027 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.241 9.980 -3.230 1.00 0.00 H new ATOM 0 H4' DT A 4 4.394 7.939 -4.323 1.00 0.00 H new ATOM 0 H3' DT A 4 2.310 8.458 -2.419 1.00 0.00 H new ATOM 0 H2' DT A 4 2.826 6.447 -1.189 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.807 5.761 -2.439 1.00 0.00 H new ATOM 0 H1' DT A 4 3.729 5.007 -3.732 1.00 0.00 H new ATOM 0 H3 DT A 4 4.325 1.471 -0.828 1.00 0.00 H new ATOM 0 H71 DT A 4 6.930 5.850 0.974 1.00 0.00 H new ATOM 0 H72 DT A 4 5.731 5.309 2.173 1.00 0.00 H new ATOM 0 H73 DT A 4 7.101 4.255 1.746 1.00 0.00 H new ATOM 0 H6 DT A 4 5.276 6.172 -0.770 1.00 0.00 H new ATOM 129 P DG A 5 1.405 8.904 -4.908 1.00 0.00 P ATOM 130 OP1 DG A 5 2.468 9.227 -5.885 1.00 0.00 O ATOM 131 OP2 DG A 5 0.986 9.922 -3.918 1.00 0.00 O ATOM 132 O5' DG A 5 0.093 8.415 -5.724 1.00 0.00 O ATOM 133 C5' DG A 5 -1.225 8.338 -5.152 1.00 0.00 C ATOM 134 C4' DG A 5 -2.116 7.412 -5.993 1.00 0.00 C ATOM 135 O4' DG A 5 -1.535 6.106 -5.988 1.00 0.00 O ATOM 136 C3' DG A 5 -3.597 7.152 -5.632 1.00 0.00 C ATOM 137 O3' DG A 5 -4.287 6.947 -6.882 1.00 0.00 O ATOM 138 C2' DG A 5 -3.532 5.945 -4.788 1.00 0.00 C ATOM 139 C1' DG A 5 -2.542 5.167 -5.603 1.00 0.00 C ATOM 140 N9 DG A 5 -1.865 4.059 -4.949 1.00 0.00 N ATOM 141 C8 DG A 5 -1.737 2.807 -5.403 1.00 0.00 C ATOM 142 N7 DG A 5 -1.040 1.995 -4.662 1.00 0.00 N ATOM 143 C5 DG A 5 -0.671 2.820 -3.596 1.00 0.00 C ATOM 144 C6 DG A 5 0.104 2.539 -2.440 1.00 0.00 C ATOM 145 O6 DG A 5 0.638 1.482 -2.120 1.00 0.00 O ATOM 146 N1 DG A 5 0.228 3.655 -1.628 1.00 0.00 N ATOM 147 C2 DG A 5 -0.324 4.891 -1.888 1.00 0.00 C ATOM 148 N2 DG A 5 -0.113 5.839 -0.983 1.00 0.00 N ATOM 149 N3 DG A 5 -1.051 5.161 -2.971 1.00 0.00 N ATOM 150 C4 DG A 5 -1.180 4.082 -3.772 1.00 0.00 C ATOM 0 H5' DG A 5 -1.667 9.333 -5.103 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.164 7.966 -4.129 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.150 7.980 -6.923 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.122 7.947 -5.103 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.180 6.152 -3.777 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.494 5.441 -4.694 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.111 4.706 -6.410 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.187 2.488 -6.332 1.00 0.00 H new ATOM 0 H1 DG A 5 0.771 3.554 -0.770 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.498 6.773 -1.124 1.00 0.00 H new ATOM 0 H22 DG A 5 0.434 5.633 -0.147 1.00 0.00 H new ATOM 162 P DG A 6 -5.864 6.661 -7.119 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.164 6.918 -8.548 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.662 7.329 -6.066 1.00 0.00 O ATOM 165 O5' DG A 6 -5.932 5.082 -6.864 1.00 0.00 O ATOM 166 C5' DG A 6 -5.607 4.168 -7.912 1.00 0.00 C ATOM 167 C4' DG A 6 -5.758 2.751 -7.408 1.00 0.00 C ATOM 168 O4' DG A 6 -4.707 2.299 -6.540 1.00 0.00 O ATOM 169 C3' DG A 6 -7.112 2.404 -6.819 1.00 0.00 C ATOM 170 O3' DG A 6 -7.662 1.265 -7.442 1.00 0.00 O ATOM 171 C2' DG A 6 -6.646 2.147 -5.450 1.00 0.00 C ATOM 172 C1' DG A 6 -5.334 1.453 -5.576 1.00 0.00 C ATOM 173 N9 DG A 6 -4.669 1.365 -4.276 1.00 0.00 N ATOM 174 C8 DG A 6 -4.333 2.404 -3.513 1.00 0.00 C ATOM 175 N7 DG A 6 -3.763 2.148 -2.382 1.00 0.00 N ATOM 176 C5 DG A 6 -3.713 0.765 -2.389 1.00 0.00 C ATOM 177 C6 DG A 6 -3.200 -0.106 -1.414 1.00 0.00 C ATOM 178 O6 DG A 6 -2.695 0.196 -0.336 1.00 0.00 O ATOM 179 N1 DG A 6 -3.335 -1.428 -1.801 1.00 0.00 N ATOM 180 C2 DG A 6 -3.901 -1.862 -2.985 1.00 0.00 C ATOM 181 N2 DG A 6 -3.951 -3.175 -3.206 1.00 0.00 N ATOM 182 N3 DG A 6 -4.394 -1.031 -3.905 1.00 0.00 N ATOM 183 C4 DG A 6 -4.264 0.262 -3.547 1.00 0.00 C ATOM 0 H5' DG A 6 -4.586 4.337 -8.253 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.261 4.333 -8.769 1.00 0.00 H new ATOM 0 H4' DG A 6 -5.672 2.194 -8.341 1.00 0.00 H new ATOM 0 H3' DG A 6 -7.911 3.139 -6.918 1.00 0.00 H new ATOM 0 H2' DG A 6 -6.541 3.079 -4.894 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.361 1.530 -4.906 1.00 0.00 H new ATOM 0 H1' DG A 6 -5.348 0.409 -5.888 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.529 3.419 -3.827 1.00 0.00 H new ATOM 0 H1 DG A 6 -2.988 -2.141 -1.159 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.362 -3.532 -4.069 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.579 -3.823 -2.512 1.00 0.00 H new ATOM 195 P DT A 7 -8.512 1.343 -8.806 1.00 0.00 P ATOM 196 OP1 DT A 7 -7.596 1.367 -9.966 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.611 2.327 -8.680 1.00 0.00 O ATOM 198 O5' DT A 7 -9.081 -0.116 -8.574 1.00 0.00 O ATOM 199 C5' DT A 7 -10.226 -0.326 -7.755 1.00 0.00 C ATOM 200 C4' DT A 7 -10.030 -1.562 -6.901 1.00 0.00 C ATOM 201 O4' DT A 7 -9.725 -2.684 -7.721 1.00 0.00 O ATOM 202 C3' DT A 7 -9.041 -1.474 -5.721 1.00 0.00 C ATOM 203 O3' DT A 7 -9.437 -2.400 -4.689 1.00 0.00 O ATOM 204 C2' DT A 7 -7.849 -2.039 -6.444 1.00 0.00 C ATOM 205 C1' DT A 7 -8.438 -3.148 -7.328 1.00 0.00 C ATOM 206 N1 DT A 7 -7.656 -3.312 -8.558 1.00 0.00 N ATOM 207 C2 DT A 7 -6.952 -4.487 -8.772 1.00 0.00 C ATOM 208 O2 DT A 7 -6.927 -5.413 -7.963 1.00 0.00 O ATOM 209 N3 DT A 7 -6.273 -4.560 -9.971 1.00 0.00 N ATOM 210 C4 DT A 7 -6.239 -3.580 -10.950 1.00 0.00 C ATOM 211 O4 DT A 7 -5.595 -3.767 -11.979 1.00 0.00 O ATOM 212 C5 DT A 7 -7.004 -2.384 -10.640 1.00 0.00 C ATOM 213 C7 DT A 7 -7.049 -1.255 -11.685 1.00 0.00 C ATOM 214 C6 DT A 7 -7.676 -2.293 -9.464 1.00 0.00 C ATOM 0 H5' DT A 7 -11.113 -0.441 -8.378 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.393 0.543 -7.119 1.00 0.00 H new ATOM 0 H4' DT A 7 -10.994 -1.674 -6.404 1.00 0.00 H new ATOM 0 H3' DT A 7 -8.929 -0.502 -5.241 1.00 0.00 H new ATOM 0 H2' DT A 7 -7.347 -1.278 -7.041 1.00 0.00 H new ATOM 0 H2'' DT A 7 -7.111 -2.435 -5.747 1.00 0.00 H new ATOM 0 H1' DT A 7 -8.451 -4.093 -6.784 1.00 0.00 H new ATOM 0 H3 DT A 7 -5.747 -5.415 -10.154 1.00 0.00 H new ATOM 0 H71 DT A 7 -7.995 -0.720 -11.602 1.00 0.00 H new ATOM 0 H72 DT A 7 -6.225 -0.564 -11.509 1.00 0.00 H new ATOM 0 H73 DT A 7 -6.959 -1.681 -12.684 1.00 0.00 H new ATOM 0 H6 DT A 7 -8.237 -1.397 -9.242 1.00 0.00 H new ATOM 227 P DG A 8 -10.301 -2.021 -3.375 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.053 -3.220 -2.935 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.029 -0.760 -3.648 1.00 0.00 O ATOM 230 O5' DG A 8 -9.161 -1.715 -2.277 1.00 0.00 O ATOM 231 C5' DG A 8 -8.372 -2.718 -1.614 1.00 0.00 C ATOM 232 C4' DG A 8 -7.456 -2.020 -0.557 1.00 0.00 C ATOM 233 O4' DG A 8 -6.368 -1.120 -0.881 1.00 0.00 O ATOM 234 C3' DG A 8 -8.106 -1.616 0.733 1.00 0.00 C ATOM 235 O3' DG A 8 -7.595 -2.437 1.786 1.00 0.00 O ATOM 236 C2' DG A 8 -7.634 -0.214 0.745 1.00 0.00 C ATOM 237 C1' DG A 8 -6.254 -0.093 0.147 1.00 0.00 C ATOM 238 N9 DG A 8 -6.383 1.161 -0.607 1.00 0.00 N ATOM 239 C8 DG A 8 -6.785 1.248 -1.884 1.00 0.00 C ATOM 240 N7 DG A 8 -6.885 2.428 -2.400 1.00 0.00 N ATOM 241 C5 DG A 8 -6.498 3.227 -1.325 1.00 0.00 C ATOM 242 C6 DG A 8 -6.399 4.633 -1.249 1.00 0.00 C ATOM 243 O6 DG A 8 -6.636 5.455 -2.132 1.00 0.00 O ATOM 244 N1 DG A 8 -5.976 5.047 0.003 1.00 0.00 N ATOM 245 C2 DG A 8 -5.687 4.212 1.064 1.00 0.00 C ATOM 246 N2 DG A 8 -5.301 4.795 2.197 1.00 0.00 N ATOM 247 N3 DG A 8 -5.777 2.881 0.999 1.00 0.00 N ATOM 248 C4 DG A 8 -6.189 2.462 -0.219 1.00 0.00 C ATOM 0 H5' DG A 8 -7.766 -3.261 -2.339 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.020 -3.448 -1.129 1.00 0.00 H new ATOM 0 H4' DG A 8 -6.894 -2.950 -0.474 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.185 -1.717 0.845 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.331 0.411 0.186 1.00 0.00 H new ATOM 0 H2'' DG A 8 -7.622 0.159 1.769 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.388 -0.148 0.806 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.017 0.364 -2.459 1.00 0.00 H new ATOM 0 H1 DG A 8 -5.869 6.050 0.154 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.075 4.225 3.012 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.231 5.811 2.250 1.00 0.00 H new ATOM 260 P DT A 9 -8.280 -3.871 2.105 1.00 0.00 P ATOM 261 OP1 DT A 9 -9.106 -4.282 0.947 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.899 -3.771 3.444 1.00 0.00 O ATOM 263 O5' DT A 9 -7.037 -4.891 2.220 1.00 0.00 O ATOM 264 C5' DT A 9 -6.196 -5.443 1.191 1.00 0.00 C ATOM 265 C4' DT A 9 -4.802 -5.828 1.950 1.00 0.00 C ATOM 266 O4' DT A 9 -4.163 -4.716 2.654 1.00 0.00 O ATOM 267 C3' DT A 9 -4.774 -6.927 3.073 1.00 0.00 C ATOM 268 O3' DT A 9 -3.627 -7.794 2.993 1.00 0.00 O ATOM 269 C2' DT A 9 -4.831 -6.106 4.365 1.00 0.00 C ATOM 270 C1' DT A 9 -3.882 -4.960 4.079 1.00 0.00 C ATOM 271 N1 DT A 9 -4.156 -3.731 4.873 1.00 0.00 N ATOM 272 C2 DT A 9 -3.539 -3.535 6.102 1.00 0.00 C ATOM 273 O2 DT A 9 -2.771 -4.351 6.611 1.00 0.00 O ATOM 274 N3 DT A 9 -3.843 -2.340 6.738 1.00 0.00 N ATOM 275 C4 DT A 9 -4.686 -1.345 6.262 1.00 0.00 C ATOM 276 O4 DT A 9 -4.876 -0.323 6.917 1.00 0.00 O ATOM 277 C5 DT A 9 -5.279 -1.644 4.977 1.00 0.00 C ATOM 278 C7 DT A 9 -6.216 -0.633 4.296 1.00 0.00 C ATOM 279 C6 DT A 9 -4.992 -2.802 4.356 1.00 0.00 C ATOM 0 H5' DT A 9 -6.025 -4.722 0.392 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.654 -6.321 0.735 1.00 0.00 H new ATOM 0 H4' DT A 9 -4.310 -6.194 1.049 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.601 -7.633 2.991 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.840 -5.752 4.575 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.512 -6.689 5.229 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.850 -5.202 4.332 1.00 0.00 H new ATOM 0 H3 DT A 9 -3.404 -2.177 7.644 1.00 0.00 H new ATOM 0 H71 DT A 9 -6.139 -0.737 3.214 1.00 0.00 H new ATOM 0 H72 DT A 9 -7.243 -0.823 4.607 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.931 0.379 4.584 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.451 -2.999 3.399 1.00 0.00 H new ATOM 292 P DG A 10 -3.778 -9.283 2.349 1.00 0.00 P ATOM 293 OP1 DG A 10 -5.213 -9.649 2.348 1.00 0.00 O ATOM 294 OP2 DG A 10 -2.803 -10.176 3.015 1.00 0.00 O ATOM 295 O5' DG A 10 -3.345 -9.092 0.808 1.00 0.00 O ATOM 296 C5' DG A 10 -1.971 -9.163 0.432 1.00 0.00 C ATOM 297 C4' DG A 10 -1.803 -9.076 -1.110 1.00 0.00 C ATOM 298 O4' DG A 10 -2.245 -7.795 -1.588 1.00 0.00 O ATOM 299 C3' DG A 10 -0.422 -9.285 -1.797 1.00 0.00 C ATOM 300 O3' DG A 10 -0.599 -10.133 -2.947 1.00 0.00 O ATOM 301 C2' DG A 10 0.011 -7.919 -2.239 1.00 0.00 C ATOM 302 C1' DG A 10 -1.342 -7.348 -2.613 1.00 0.00 C ATOM 303 N9 DG A 10 -1.284 -5.893 -2.628 1.00 0.00 N ATOM 304 C8 DG A 10 -1.531 -5.049 -3.648 1.00 0.00 C ATOM 305 N7 DG A 10 -1.411 -3.785 -3.375 1.00 0.00 N ATOM 306 C5 DG A 10 -1.045 -3.804 -2.032 1.00 0.00 C ATOM 307 C6 DG A 10 -0.767 -2.738 -1.148 1.00 0.00 C ATOM 308 O6 DG A 10 -0.807 -1.537 -1.368 1.00 0.00 O ATOM 309 N1 DG A 10 -0.438 -3.167 0.112 1.00 0.00 N ATOM 310 C2 DG A 10 -0.379 -4.493 0.502 1.00 0.00 C ATOM 311 N2 DG A 10 -0.048 -4.780 1.759 1.00 0.00 N ATOM 312 N3 DG A 10 -0.642 -5.506 -0.327 1.00 0.00 N ATOM 313 C4 DG A 10 -0.965 -5.088 -1.570 1.00 0.00 C ATOM 0 H5' DG A 10 -1.540 -10.096 0.795 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.419 -8.351 0.907 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.392 -9.952 -1.383 1.00 0.00 H new ATOM 0 H3' DG A 10 0.310 -9.748 -1.135 1.00 0.00 H new ATOM 0 H2' DG A 10 0.500 -7.355 -1.445 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.702 -7.949 -3.081 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.660 -7.673 -3.604 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.811 -5.401 -4.630 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.221 -2.458 0.812 1.00 0.00 H new ATOM 0 H21 DG A 10 0.001 -5.752 2.064 1.00 0.00 H new ATOM 0 H22 DG A 10 0.157 -4.028 2.417 1.00 0.00 H new ATOM 325 P DG A 11 0.623 -10.662 -3.873 1.00 0.00 P ATOM 326 OP1 DG A 11 0.069 -11.642 -4.834 1.00 0.00 O ATOM 327 OP2 DG A 11 1.733 -11.062 -2.979 1.00 0.00 O ATOM 328 O5' DG A 11 1.088 -9.344 -4.700 1.00 0.00 O ATOM 329 C5' DG A 11 0.359 -8.903 -5.856 1.00 0.00 C ATOM 330 C4' DG A 11 0.806 -7.540 -6.408 1.00 0.00 C ATOM 331 O4' DG A 11 0.564 -6.446 -5.528 1.00 0.00 O ATOM 332 C3' DG A 11 2.240 -7.441 -6.912 1.00 0.00 C ATOM 333 O3' DG A 11 2.089 -7.496 -8.337 1.00 0.00 O ATOM 334 C2' DG A 11 2.751 -6.162 -6.222 1.00 0.00 C ATOM 335 C1' DG A 11 1.508 -5.421 -5.853 1.00 0.00 C ATOM 336 N9 DG A 11 1.719 -4.667 -4.637 1.00 0.00 N ATOM 337 C8 DG A 11 2.232 -5.110 -3.481 1.00 0.00 C ATOM 338 N7 DG A 11 2.338 -4.227 -2.526 1.00 0.00 N ATOM 339 C5 DG A 11 1.828 -3.080 -3.151 1.00 0.00 C ATOM 340 C6 DG A 11 1.659 -1.760 -2.665 1.00 0.00 C ATOM 341 O6 DG A 11 1.942 -1.302 -1.566 1.00 0.00 O ATOM 342 N1 DG A 11 1.105 -0.927 -3.619 1.00 0.00 N ATOM 343 C2 DG A 11 0.753 -1.297 -4.897 1.00 0.00 C ATOM 344 N2 DG A 11 0.224 -0.363 -5.680 1.00 0.00 N ATOM 345 N3 DG A 11 0.914 -2.531 -5.362 1.00 0.00 N ATOM 346 C4 DG A 11 1.450 -3.357 -4.439 1.00 0.00 C ATOM 0 H5' DG A 11 -0.700 -8.849 -5.604 1.00 0.00 H new ATOM 0 H5'' DG A 11 0.462 -9.651 -6.642 1.00 0.00 H new ATOM 0 H4' DG A 11 0.157 -7.467 -7.280 1.00 0.00 H new ATOM 0 H3' DG A 11 2.988 -8.201 -6.687 1.00 0.00 H new ATOM 0 H2' DG A 11 3.350 -6.397 -5.342 1.00 0.00 H new ATOM 0 H2'' DG A 11 3.381 -5.574 -6.890 1.00 0.00 H new ATOM 0 H1' DG A 11 1.198 -4.748 -6.652 1.00 0.00 H new ATOM 0 H8 DG A 11 2.539 -6.137 -3.348 1.00 0.00 H new ATOM 0 H1 DG A 11 0.943 0.044 -3.353 1.00 0.00 H new ATOM 0 H21 DG A 11 -0.051 -0.594 -6.635 1.00 0.00 H new ATOM 0 H22 DG A 11 0.093 0.585 -5.326 1.00 0.00 H new ATOM 358 P DT A 12 2.737 -6.500 -9.408 1.00 0.00 P ATOM 359 OP1 DT A 12 2.250 -5.133 -9.122 1.00 0.00 O ATOM 360 OP2 DT A 12 2.570 -7.086 -10.756 1.00 0.00 O ATOM 361 O5' DT A 12 4.284 -6.598 -8.987 1.00 0.00 O ATOM 362 C5' DT A 12 4.969 -7.840 -8.785 1.00 0.00 C ATOM 363 C4' DT A 12 6.334 -7.589 -8.139 1.00 0.00 C ATOM 364 O4' DT A 12 7.088 -6.745 -9.026 1.00 0.00 O ATOM 365 C3' DT A 12 6.200 -6.873 -6.771 1.00 0.00 C ATOM 366 O3' DT A 12 6.452 -7.763 -5.677 1.00 0.00 O ATOM 367 C2' DT A 12 7.340 -5.892 -6.833 1.00 0.00 C ATOM 368 C1' DT A 12 7.498 -5.570 -8.320 1.00 0.00 C ATOM 369 N1 DT A 12 6.909 -4.290 -8.797 1.00 0.00 N ATOM 370 C2 DT A 12 7.715 -3.165 -8.666 1.00 0.00 C ATOM 371 O2 DT A 12 8.850 -3.208 -8.193 1.00 0.00 O ATOM 372 N3 DT A 12 7.179 -1.972 -9.099 1.00 0.00 N ATOM 373 C4 DT A 12 5.925 -1.792 -9.648 1.00 0.00 C ATOM 374 O4 DT A 12 5.561 -0.671 -9.997 1.00 0.00 O ATOM 375 C5 DT A 12 5.144 -3.009 -9.752 1.00 0.00 C ATOM 376 C7 DT A 12 3.727 -2.927 -10.336 1.00 0.00 C ATOM 377 C6 DT A 12 5.645 -4.198 -9.337 1.00 0.00 C ATOM 0 H5' DT A 12 5.098 -8.352 -9.738 1.00 0.00 H new ATOM 0 H5'' DT A 12 4.372 -8.494 -8.150 1.00 0.00 H new ATOM 0 H4' DT A 12 6.825 -8.547 -7.970 1.00 0.00 H new ATOM 0 H3' DT A 12 5.207 -6.453 -6.615 1.00 0.00 H new ATOM 0 H2' DT A 12 7.121 -4.994 -6.255 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.254 -6.321 -6.422 1.00 0.00 H new ATOM 0 H1' DT A 12 8.543 -5.342 -8.530 1.00 0.00 H new ATOM 0 H3 DT A 12 7.765 -1.142 -9.005 1.00 0.00 H new ATOM 0 H71 DT A 12 3.483 -3.866 -10.833 1.00 0.00 H new ATOM 0 H72 DT A 12 3.013 -2.745 -9.533 1.00 0.00 H new ATOM 0 H73 DT A 12 3.677 -2.111 -11.058 1.00 0.00 H new ATOM 0 H6 DT A 12 5.042 -5.089 -9.431 1.00 0.00 H new ATOM 390 P DT A 13 5.786 -7.620 -4.207 1.00 0.00 P ATOM 391 OP1 DT A 13 6.407 -8.663 -3.360 1.00 0.00 O ATOM 392 OP2 DT A 13 4.318 -7.608 -4.370 1.00 0.00 O ATOM 393 O5' DT A 13 6.234 -6.169 -3.624 1.00 0.00 O ATOM 394 C5' DT A 13 7.413 -5.976 -2.821 1.00 0.00 C ATOM 395 C4' DT A 13 7.306 -4.790 -1.831 1.00 0.00 C ATOM 396 O4' DT A 13 7.141 -3.523 -2.513 1.00 0.00 O ATOM 397 C3' DT A 13 6.147 -4.905 -0.812 1.00 0.00 C ATOM 398 O3' DT A 13 6.426 -4.363 0.498 1.00 0.00 O ATOM 399 C2' DT A 13 5.141 -3.988 -1.464 1.00 0.00 C ATOM 400 C1' DT A 13 5.981 -2.846 -1.992 1.00 0.00 C ATOM 401 N1 DT A 13 5.255 -1.984 -2.963 1.00 0.00 N ATOM 402 C2 DT A 13 4.817 -0.726 -2.542 1.00 0.00 C ATOM 403 O2 DT A 13 4.983 -0.283 -1.406 1.00 0.00 O ATOM 404 N3 DT A 13 4.155 0.031 -3.491 1.00 0.00 N ATOM 405 C4 DT A 13 3.891 -0.337 -4.795 1.00 0.00 C ATOM 406 O4 DT A 13 3.293 0.432 -5.545 1.00 0.00 O ATOM 407 C5 DT A 13 4.377 -1.655 -5.143 1.00 0.00 C ATOM 408 C7 DT A 13 4.145 -2.200 -6.550 1.00 0.00 C ATOM 409 C6 DT A 13 5.026 -2.417 -4.242 1.00 0.00 C ATOM 0 H5' DT A 13 8.267 -5.813 -3.479 1.00 0.00 H new ATOM 0 H5'' DT A 13 7.613 -6.889 -2.260 1.00 0.00 H new ATOM 0 H4' DT A 13 8.253 -4.831 -1.292 1.00 0.00 H new ATOM 0 H3' DT A 13 5.876 -5.945 -0.631 1.00 0.00 H new ATOM 0 H2' DT A 13 4.602 -4.492 -2.266 1.00 0.00 H new ATOM 0 H2'' DT A 13 4.396 -3.639 -0.749 1.00 0.00 H new ATOM 0 H1' DT A 13 6.252 -2.111 -1.234 1.00 0.00 H new ATOM 0 H3 DT A 13 3.830 0.952 -3.199 1.00 0.00 H new ATOM 0 H71 DT A 13 4.957 -2.877 -6.816 1.00 0.00 H new ATOM 0 H72 DT A 13 3.198 -2.739 -6.580 1.00 0.00 H new ATOM 0 H73 DT A 13 4.114 -1.373 -7.260 1.00 0.00 H new ATOM 0 H6 DT A 13 5.375 -3.396 -4.536 1.00 0.00 H new ATOM 422 P DG A 14 7.370 -5.025 1.635 1.00 0.00 P ATOM 423 OP1 DG A 14 8.440 -4.048 1.940 1.00 0.00 O ATOM 424 OP2 DG A 14 7.736 -6.391 1.198 1.00 0.00 O ATOM 425 O5' DG A 14 6.435 -5.157 2.961 1.00 0.00 O ATOM 426 C5' DG A 14 7.045 -5.463 4.234 1.00 0.00 C ATOM 427 C4' DG A 14 6.100 -5.399 5.457 1.00 0.00 C ATOM 428 O4' DG A 14 5.498 -4.097 5.603 1.00 0.00 O ATOM 429 C3' DG A 14 4.943 -6.406 5.470 1.00 0.00 C ATOM 430 O3' DG A 14 4.654 -6.775 6.834 1.00 0.00 O ATOM 431 C2' DG A 14 3.872 -5.569 4.824 1.00 0.00 C ATOM 432 C1' DG A 14 4.070 -4.207 5.468 1.00 0.00 C ATOM 433 N9 DG A 14 3.587 -3.072 4.659 1.00 0.00 N ATOM 434 C8 DG A 14 3.427 -1.781 5.049 1.00 0.00 C ATOM 435 N7 DG A 14 3.008 -0.959 4.141 1.00 0.00 N ATOM 436 C5 DG A 14 2.874 -1.780 3.028 1.00 0.00 C ATOM 437 C6 DG A 14 2.449 -1.454 1.721 1.00 0.00 C ATOM 438 O6 DG A 14 2.112 -0.353 1.294 1.00 0.00 O ATOM 439 N1 DG A 14 2.452 -2.568 0.896 1.00 0.00 N ATOM 440 C2 DG A 14 2.814 -3.842 1.272 1.00 0.00 C ATOM 441 N2 DG A 14 2.741 -4.794 0.339 1.00 0.00 N ATOM 442 N3 DG A 14 3.216 -4.147 2.506 1.00 0.00 N ATOM 443 C4 DG A 14 3.222 -3.073 3.329 1.00 0.00 C ATOM 0 H5' DG A 14 7.870 -4.770 4.398 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.474 -6.463 4.180 1.00 0.00 H new ATOM 0 H4' DG A 14 6.775 -5.646 6.276 1.00 0.00 H new ATOM 0 H3' DG A 14 5.100 -7.359 4.964 1.00 0.00 H new ATOM 0 H2' DG A 14 3.992 -5.525 3.741 1.00 0.00 H new ATOM 0 H2'' DG A 14 2.876 -5.967 5.019 1.00 0.00 H new ATOM 0 H1' DG A 14 3.504 -4.154 6.398 1.00 0.00 H new ATOM 0 H8 DG A 14 3.637 -1.459 6.058 1.00 0.00 H new ATOM 0 H1 DG A 14 2.161 -2.432 -0.072 1.00 0.00 H new ATOM 0 H21 DG A 14 2.999 -5.754 0.569 1.00 0.00 H new ATOM 0 H22 DG A 14 2.428 -4.561 -0.603 1.00 0.00 H new ATOM 455 P DG A 15 3.225 -7.295 7.395 1.00 0.00 P ATOM 456 OP1 DG A 15 3.480 -8.082 8.623 1.00 0.00 O ATOM 457 OP2 DG A 15 2.471 -7.907 6.277 1.00 0.00 O ATOM 458 O5' DG A 15 2.467 -5.931 7.819 1.00 0.00 O ATOM 459 C5' DG A 15 2.877 -5.201 8.985 1.00 0.00 C ATOM 460 C4' DG A 15 1.889 -4.103 9.408 1.00 0.00 C ATOM 461 O4' DG A 15 1.726 -3.138 8.345 1.00 0.00 O ATOM 462 C3' DG A 15 0.476 -4.606 9.752 1.00 0.00 C ATOM 463 O3' DG A 15 -0.163 -3.681 10.639 1.00 0.00 O ATOM 464 C2' DG A 15 -0.174 -4.490 8.398 1.00 0.00 C ATOM 465 C1' DG A 15 0.357 -3.153 7.901 1.00 0.00 C ATOM 466 N9 DG A 15 0.251 -2.970 6.438 1.00 0.00 N ATOM 467 C8 DG A 15 0.473 -3.863 5.435 1.00 0.00 C ATOM 468 N7 DG A 15 0.300 -3.418 4.230 1.00 0.00 N ATOM 469 C5 DG A 15 -0.075 -2.097 4.443 1.00 0.00 C ATOM 470 C6 DG A 15 -0.401 -1.092 3.501 1.00 0.00 C ATOM 471 O6 DG A 15 -0.425 -1.187 2.276 1.00 0.00 O ATOM 472 N1 DG A 15 -0.723 0.103 4.123 1.00 0.00 N ATOM 473 C2 DG A 15 -0.733 0.314 5.484 1.00 0.00 C ATOM 474 N2 DG A 15 -1.068 1.541 5.890 1.00 0.00 N ATOM 475 N3 DG A 15 -0.427 -0.634 6.376 1.00 0.00 N ATOM 476 C4 DG A 15 -0.108 -1.810 5.787 1.00 0.00 C ATOM 0 H5' DG A 15 3.850 -4.748 8.795 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.006 -5.899 9.812 1.00 0.00 H new ATOM 0 H4' DG A 15 2.332 -3.676 10.308 1.00 0.00 H new ATOM 0 H3' DG A 15 0.438 -5.588 10.223 1.00 0.00 H new ATOM 0 H2' DG A 15 0.109 -5.311 7.739 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.262 -4.496 8.467 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.063 -4.003 10.855 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.233 -2.326 8.295 1.00 0.00 H new ATOM 0 H8 DG A 15 0.775 -4.881 5.631 1.00 0.00 H new ATOM 0 H1 DG A 15 -0.973 0.890 3.525 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.094 1.759 6.886 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.298 2.260 5.204 1.00 0.00 H new TER 489 DG A 15