USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 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 Single : A 1 DG O5' : rot 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl -30:sc= 0 (180deg=-1.83!) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=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 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.326 (180deg=-2.74!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 0.817 -11.087 5.530 1.00 0.00 O ATOM 2 C5' DG A 1 0.625 -9.674 5.643 1.00 0.00 C ATOM 3 C4' DG A 1 -0.822 -9.349 5.932 1.00 0.00 C ATOM 4 O4' DG A 1 -0.907 -7.968 6.362 1.00 0.00 O ATOM 5 C3' DG A 1 -1.765 -9.487 4.734 1.00 0.00 C ATOM 6 O3' DG A 1 -2.996 -10.097 5.139 1.00 0.00 O ATOM 7 C2' DG A 1 -1.994 -8.055 4.282 1.00 0.00 C ATOM 8 C1' DG A 1 -1.829 -7.254 5.559 1.00 0.00 C ATOM 9 N9 DG A 1 -1.300 -5.908 5.361 1.00 0.00 N ATOM 10 C8 DG A 1 -1.499 -4.810 6.162 1.00 0.00 C ATOM 11 N7 DG A 1 -0.895 -3.738 5.727 1.00 0.00 N ATOM 12 C5 DG A 1 -0.260 -4.153 4.564 1.00 0.00 C ATOM 13 C6 DG A 1 0.552 -3.432 3.647 1.00 0.00 C ATOM 14 O6 DG A 1 0.866 -2.236 3.657 1.00 0.00 O ATOM 15 N1 DG A 1 1.008 -4.247 2.623 1.00 0.00 N ATOM 16 C2 DG A 1 0.690 -5.572 2.464 1.00 0.00 C ATOM 17 N2 DG A 1 1.170 -6.170 1.370 1.00 0.00 N ATOM 18 N3 DG A 1 -0.061 -6.256 3.306 1.00 0.00 N ATOM 19 C4 DG A 1 -0.498 -5.490 4.327 1.00 0.00 C ATOM 0 H5' DG A 1 0.934 -9.186 4.719 1.00 0.00 H new ATOM 0 H5'' DG A 1 1.257 -9.279 6.439 1.00 0.00 H new ATOM 0 H4' DG A 1 -1.137 -10.070 6.686 1.00 0.00 H new ATOM 0 H3' DG A 1 -1.358 -10.114 3.941 1.00 0.00 H new ATOM 0 H2' DG A 1 -1.273 -7.753 3.522 1.00 0.00 H new ATOM 0 H2'' DG A 1 -2.986 -7.923 3.850 1.00 0.00 H new ATOM 0 HO5' DG A 1 1.760 -11.275 5.341 1.00 0.00 H new ATOM 0 H1' DG A 1 -2.815 -7.134 6.007 1.00 0.00 H new ATOM 0 H8 DG A 1 -2.096 -4.832 7.062 1.00 0.00 H new ATOM 0 H1 DG A 1 1.630 -3.828 1.932 1.00 0.00 H new ATOM 0 H21 DG A 1 0.967 -7.155 1.197 1.00 0.00 H new ATOM 0 H22 DG A 1 1.739 -5.642 0.708 1.00 0.00 H new ATOM 32 P DG A 2 -4.158 -10.354 4.056 1.00 0.00 P ATOM 33 OP1 DG A 2 -4.856 -11.612 4.420 1.00 0.00 O ATOM 34 OP2 DG A 2 -3.564 -10.211 2.702 1.00 0.00 O ATOM 35 O5' DG A 2 -5.166 -9.143 4.287 1.00 0.00 O ATOM 36 C5' DG A 2 -5.388 -8.612 5.594 1.00 0.00 C ATOM 37 C4' DG A 2 -6.163 -7.319 5.506 1.00 0.00 C ATOM 38 O4' DG A 2 -5.261 -6.261 5.100 1.00 0.00 O ATOM 39 C3' DG A 2 -7.306 -7.328 4.484 1.00 0.00 C ATOM 40 O3' DG A 2 -8.526 -6.911 5.105 1.00 0.00 O ATOM 41 C2' DG A 2 -6.875 -6.324 3.426 1.00 0.00 C ATOM 42 C1' DG A 2 -5.923 -5.422 4.180 1.00 0.00 C ATOM 43 N9 DG A 2 -4.914 -4.769 3.352 1.00 0.00 N ATOM 44 C8 DG A 2 -4.163 -5.340 2.355 1.00 0.00 C ATOM 45 N7 DG A 2 -3.349 -4.499 1.778 1.00 0.00 N ATOM 46 C5 DG A 2 -3.576 -3.298 2.436 1.00 0.00 C ATOM 47 C6 DG A 2 -2.990 -2.018 2.245 1.00 0.00 C ATOM 48 O6 DG A 2 -2.117 -1.682 1.432 1.00 0.00 O ATOM 49 N1 DG A 2 -3.516 -1.079 3.126 1.00 0.00 N ATOM 50 C2 DG A 2 -4.472 -1.342 4.080 1.00 0.00 C ATOM 51 N2 DG A 2 -4.844 -0.318 4.853 1.00 0.00 N ATOM 52 N3 DG A 2 -5.024 -2.527 4.266 1.00 0.00 N ATOM 53 C4 DG A 2 -4.535 -3.450 3.415 1.00 0.00 C ATOM 0 H5' DG A 2 -4.434 -8.439 6.091 1.00 0.00 H new ATOM 0 H5'' DG A 2 -5.937 -9.333 6.199 1.00 0.00 H new ATOM 0 H4' DG A 2 -6.598 -7.172 6.495 1.00 0.00 H new ATOM 0 H3' DG A 2 -7.488 -8.318 4.065 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.386 -6.811 2.582 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.724 -5.770 3.026 1.00 0.00 H new ATOM 0 H1' DG A 2 -6.500 -4.614 4.629 1.00 0.00 H new ATOM 0 H8 DG A 2 -4.238 -6.381 2.076 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.167 -0.123 3.060 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.549 -0.455 5.577 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.423 0.601 4.719 1.00 0.00 H new ATOM 65 P DT A 3 -9.914 -7.601 4.678 1.00 0.00 P ATOM 66 OP1 DT A 3 -10.984 -6.979 5.497 1.00 0.00 O ATOM 67 OP2 DT A 3 -9.735 -9.076 4.702 1.00 0.00 O ATOM 68 O5' DT A 3 -10.121 -7.138 3.167 1.00 0.00 O ATOM 69 C5' DT A 3 -10.554 -8.060 2.165 1.00 0.00 C ATOM 70 C4' DT A 3 -10.764 -7.341 0.852 1.00 0.00 C ATOM 71 O4' DT A 3 -11.843 -6.389 1.010 1.00 0.00 O ATOM 72 C3' DT A 3 -9.564 -6.531 0.363 1.00 0.00 C ATOM 73 O3' DT A 3 -9.522 -6.505 -1.068 1.00 0.00 O ATOM 74 C2' DT A 3 -9.836 -5.144 0.913 1.00 0.00 C ATOM 75 C1' DT A 3 -11.355 -5.060 0.891 1.00 0.00 C ATOM 76 N1 DT A 3 -11.939 -4.265 1.989 1.00 0.00 N ATOM 77 C2 DT A 3 -12.944 -3.377 1.683 1.00 0.00 C ATOM 78 O2 DT A 3 -13.371 -3.218 0.551 1.00 0.00 O ATOM 79 N3 DT A 3 -13.434 -2.676 2.752 1.00 0.00 N ATOM 80 C4 DT A 3 -13.029 -2.770 4.066 1.00 0.00 C ATOM 81 O4 DT A 3 -13.566 -2.071 4.920 1.00 0.00 O ATOM 82 C5 DT A 3 -11.970 -3.721 4.319 1.00 0.00 C ATOM 83 C7 DT A 3 -11.456 -3.877 5.716 1.00 0.00 C ATOM 84 C6 DT A 3 -11.481 -4.417 3.283 1.00 0.00 C ATOM 0 H5' DT A 3 -11.481 -8.540 2.478 1.00 0.00 H new ATOM 0 H5'' DT A 3 -9.813 -8.849 2.042 1.00 0.00 H new ATOM 0 H4' DT A 3 -10.962 -8.128 0.125 1.00 0.00 H new ATOM 0 H3' DT A 3 -8.608 -6.943 0.687 1.00 0.00 H new ATOM 0 H2' DT A 3 -9.440 -5.025 1.921 1.00 0.00 H new ATOM 0 H2'' DT A 3 -9.380 -4.369 0.297 1.00 0.00 H new ATOM 0 H1' DT A 3 -11.640 -4.562 -0.036 1.00 0.00 H new ATOM 0 H3 DT A 3 -14.181 -2.011 2.554 1.00 0.00 H new ATOM 0 H71 DT A 3 -11.557 -2.931 6.249 1.00 0.00 H new ATOM 0 H72 DT A 3 -12.030 -4.647 6.231 1.00 0.00 H new ATOM 0 H73 DT A 3 -10.405 -4.166 5.687 1.00 0.00 H new ATOM 0 H6 DT A 3 -10.692 -5.130 3.469 1.00 0.00 H new ATOM 97 P DT A 4 -8.151 -6.124 -1.819 1.00 0.00 P ATOM 98 OP1 DT A 4 -7.509 -7.397 -2.236 1.00 0.00 O ATOM 99 OP2 DT A 4 -7.399 -5.172 -0.963 1.00 0.00 O ATOM 100 O5' DT A 4 -8.629 -5.343 -3.123 1.00 0.00 O ATOM 101 C5' DT A 4 -8.712 -5.999 -4.391 1.00 0.00 C ATOM 102 C4' DT A 4 -7.632 -5.490 -5.318 1.00 0.00 C ATOM 103 O4' DT A 4 -7.463 -4.060 -5.124 1.00 0.00 O ATOM 104 C3' DT A 4 -6.248 -6.110 -5.093 1.00 0.00 C ATOM 105 O3' DT A 4 -5.611 -6.382 -6.348 1.00 0.00 O ATOM 106 C2' DT A 4 -5.490 -5.033 -4.336 1.00 0.00 C ATOM 107 C1' DT A 4 -6.092 -3.765 -4.909 1.00 0.00 C ATOM 108 N1 DT A 4 -6.001 -2.563 -4.046 1.00 0.00 N ATOM 109 C2 DT A 4 -5.293 -1.494 -4.549 1.00 0.00 C ATOM 110 O2 DT A 4 -4.761 -1.505 -5.646 1.00 0.00 O ATOM 111 N3 DT A 4 -5.228 -0.406 -3.721 1.00 0.00 N ATOM 112 C4 DT A 4 -5.782 -0.278 -2.467 1.00 0.00 C ATOM 113 O4 DT A 4 -5.634 0.767 -1.840 1.00 0.00 O ATOM 114 C5 DT A 4 -6.512 -1.434 -1.994 1.00 0.00 C ATOM 115 C7 DT A 4 -7.119 -1.393 -0.626 1.00 0.00 C ATOM 116 C6 DT A 4 -6.592 -2.508 -2.795 1.00 0.00 C ATOM 0 H5' DT A 4 -9.693 -5.825 -4.834 1.00 0.00 H new ATOM 0 H5'' DT A 4 -8.609 -7.076 -4.258 1.00 0.00 H new ATOM 0 H4' DT A 4 -7.973 -5.762 -6.317 1.00 0.00 H new ATOM 0 H3' DT A 4 -6.290 -7.057 -4.556 1.00 0.00 H new ATOM 0 H2' DT A 4 -5.642 -5.107 -3.259 1.00 0.00 H new ATOM 0 H2'' DT A 4 -4.416 -5.090 -4.511 1.00 0.00 H new ATOM 0 H1' DT A 4 -5.529 -3.506 -5.806 1.00 0.00 H new ATOM 0 H3 DT A 4 -4.711 0.400 -4.072 1.00 0.00 H new ATOM 0 H71 DT A 4 -8.014 -2.015 -0.606 1.00 0.00 H new ATOM 0 H72 DT A 4 -6.400 -1.768 0.102 1.00 0.00 H new ATOM 0 H73 DT A 4 -7.386 -0.366 -0.377 1.00 0.00 H new ATOM 0 H6 DT A 4 -7.143 -3.369 -2.448 1.00 0.00 H new ATOM 129 P DG A 5 -4.457 -7.500 -6.435 1.00 0.00 P ATOM 130 OP1 DG A 5 -4.214 -7.767 -7.876 1.00 0.00 O ATOM 131 OP2 DG A 5 -4.820 -8.624 -5.533 1.00 0.00 O ATOM 132 O5' DG A 5 -3.166 -6.775 -5.847 1.00 0.00 O ATOM 133 C5' DG A 5 -2.152 -7.514 -5.159 1.00 0.00 C ATOM 134 C4' DG A 5 -0.792 -7.203 -5.739 1.00 0.00 C ATOM 135 O4' DG A 5 -0.583 -5.769 -5.695 1.00 0.00 O ATOM 136 C3' DG A 5 0.384 -7.824 -4.979 1.00 0.00 C ATOM 137 O3' DG A 5 1.413 -8.249 -5.881 1.00 0.00 O ATOM 138 C2' DG A 5 0.883 -6.683 -4.114 1.00 0.00 C ATOM 139 C1' DG A 5 0.610 -5.477 -4.989 1.00 0.00 C ATOM 140 N9 DG A 5 0.409 -4.239 -4.244 1.00 0.00 N ATOM 141 C8 DG A 5 0.842 -2.983 -4.586 1.00 0.00 C ATOM 142 N7 DG A 5 0.523 -2.072 -3.709 1.00 0.00 N ATOM 143 C5 DG A 5 -0.166 -2.770 -2.726 1.00 0.00 C ATOM 144 C6 DG A 5 -0.758 -2.316 -1.520 1.00 0.00 C ATOM 145 O6 DG A 5 -0.784 -1.168 -1.057 1.00 0.00 O ATOM 146 N1 DG A 5 -1.362 -3.359 -0.824 1.00 0.00 N ATOM 147 C2 DG A 5 -1.382 -4.671 -1.231 1.00 0.00 C ATOM 148 N2 DG A 5 -2.000 -5.537 -0.422 1.00 0.00 N ATOM 149 N3 DG A 5 -0.834 -5.105 -2.350 1.00 0.00 N ATOM 150 C4 DG A 5 -0.248 -4.108 -3.045 1.00 0.00 C ATOM 0 H5' DG A 5 -2.353 -8.582 -5.239 1.00 0.00 H new ATOM 0 H5'' DG A 5 -2.168 -7.265 -4.098 1.00 0.00 H new ATOM 0 H4' DG A 5 -0.805 -7.621 -6.746 1.00 0.00 H new ATOM 0 H3' DG A 5 0.097 -8.708 -4.409 1.00 0.00 H new ATOM 0 H2' DG A 5 0.349 -6.627 -3.165 1.00 0.00 H new ATOM 0 H2'' DG A 5 1.942 -6.784 -3.878 1.00 0.00 H new ATOM 0 H1' DG A 5 1.477 -5.310 -5.629 1.00 0.00 H new ATOM 0 H8 DG A 5 1.392 -2.770 -5.491 1.00 0.00 H new ATOM 0 H1 DG A 5 -1.825 -3.132 0.056 1.00 0.00 H new ATOM 0 H21 DG A 5 -2.047 -6.525 -0.672 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.425 -5.210 0.446 1.00 0.00 H new ATOM 162 P DG A 6 2.640 -9.137 -5.332 1.00 0.00 P ATOM 163 OP1 DG A 6 2.471 -10.504 -5.884 1.00 0.00 O ATOM 164 OP2 DG A 6 2.746 -8.949 -3.863 1.00 0.00 O ATOM 165 O5' DG A 6 3.929 -8.490 -6.010 1.00 0.00 O ATOM 166 C5' DG A 6 3.983 -7.095 -6.314 1.00 0.00 C ATOM 167 C4' DG A 6 5.086 -6.425 -5.525 1.00 0.00 C ATOM 168 O4' DG A 6 4.475 -5.545 -4.553 1.00 0.00 O ATOM 169 C3' DG A 6 5.993 -7.370 -4.718 1.00 0.00 C ATOM 170 O3' DG A 6 7.400 -7.037 -4.784 1.00 0.00 O ATOM 171 C2' DG A 6 5.527 -7.174 -3.284 1.00 0.00 C ATOM 172 C1' DG A 6 5.157 -5.700 -3.330 1.00 0.00 C ATOM 173 N9 DG A 6 4.289 -5.193 -2.267 1.00 0.00 N ATOM 174 C8 DG A 6 3.379 -5.884 -1.498 1.00 0.00 C ATOM 175 N7 DG A 6 2.792 -5.136 -0.604 1.00 0.00 N ATOM 176 C5 DG A 6 3.332 -3.873 -0.803 1.00 0.00 C ATOM 177 C6 DG A 6 3.075 -2.643 -0.139 1.00 0.00 C ATOM 178 O6 DG A 6 2.284 -2.405 0.782 1.00 0.00 O ATOM 179 N1 DG A 6 3.842 -1.614 -0.662 1.00 0.00 N ATOM 180 C2 DG A 6 4.731 -1.734 -1.693 1.00 0.00 C ATOM 181 N2 DG A 6 5.361 -0.611 -2.052 1.00 0.00 N ATOM 182 N3 DG A 6 4.982 -2.867 -2.324 1.00 0.00 N ATOM 183 C4 DG A 6 4.253 -3.891 -1.829 1.00 0.00 C ATOM 0 H5' DG A 6 3.026 -6.628 -6.081 1.00 0.00 H new ATOM 0 H5'' DG A 6 4.154 -6.955 -7.381 1.00 0.00 H new ATOM 0 H4' DG A 6 5.707 -5.929 -6.271 1.00 0.00 H new ATOM 0 H3' DG A 6 5.914 -8.385 -5.107 1.00 0.00 H new ATOM 0 H2' DG A 6 4.679 -7.810 -3.030 1.00 0.00 H new ATOM 0 H2'' DG A 6 6.312 -7.385 -2.558 1.00 0.00 H new ATOM 0 H1' DG A 6 6.080 -5.133 -3.207 1.00 0.00 H new ATOM 0 H8 DG A 6 3.172 -6.937 -1.622 1.00 0.00 H new ATOM 0 H1 DG A 6 3.734 -0.690 -0.243 1.00 0.00 H new ATOM 0 H21 DG A 6 6.038 -0.628 -2.814 1.00 0.00 H new ATOM 0 H22 DG A 6 5.164 0.263 -1.563 1.00 0.00 H new ATOM 195 P DT A 7 7.919 -5.758 -5.623 1.00 0.00 P ATOM 196 OP1 DT A 7 7.727 -6.035 -7.070 1.00 0.00 O ATOM 197 OP2 DT A 7 9.278 -5.439 -5.114 1.00 0.00 O ATOM 198 O5' DT A 7 6.955 -4.560 -5.199 1.00 0.00 O ATOM 199 C5' DT A 7 7.076 -3.269 -5.806 1.00 0.00 C ATOM 200 C4' DT A 7 8.083 -2.431 -5.050 1.00 0.00 C ATOM 201 O4' DT A 7 8.898 -1.734 -6.017 1.00 0.00 O ATOM 202 C3' DT A 7 7.492 -1.358 -4.130 1.00 0.00 C ATOM 203 O3' DT A 7 7.713 -1.676 -2.742 1.00 0.00 O ATOM 204 C2' DT A 7 8.224 -0.075 -4.496 1.00 0.00 C ATOM 205 C1' DT A 7 9.291 -0.479 -5.510 1.00 0.00 C ATOM 206 N1 DT A 7 9.465 0.431 -6.664 1.00 0.00 N ATOM 207 C2 DT A 7 10.710 0.473 -7.252 1.00 0.00 C ATOM 208 O2 DT A 7 11.662 -0.167 -6.840 1.00 0.00 O ATOM 209 N3 DT A 7 10.802 1.295 -8.343 1.00 0.00 N ATOM 210 C4 DT A 7 9.799 2.063 -8.894 1.00 0.00 C ATOM 211 O4 DT A 7 10.029 2.742 -9.890 1.00 0.00 O ATOM 212 C5 DT A 7 8.522 1.984 -8.222 1.00 0.00 C ATOM 213 C7 DT A 7 7.349 2.707 -8.805 1.00 0.00 C ATOM 214 C6 DT A 7 8.419 1.196 -7.143 1.00 0.00 C ATOM 0 H5' DT A 7 6.107 -2.769 -5.812 1.00 0.00 H new ATOM 0 H5'' DT A 7 7.387 -3.375 -6.845 1.00 0.00 H new ATOM 0 H4' DT A 7 8.626 -3.132 -4.416 1.00 0.00 H new ATOM 0 H3' DT A 7 6.413 -1.275 -4.259 1.00 0.00 H new ATOM 0 H2' DT A 7 7.539 0.658 -4.921 1.00 0.00 H new ATOM 0 H2'' DT A 7 8.675 0.383 -3.615 1.00 0.00 H new ATOM 0 H1' DT A 7 10.245 -0.467 -4.983 1.00 0.00 H new ATOM 0 H3 DT A 7 11.713 1.344 -8.798 1.00 0.00 H new ATOM 0 H71 DT A 7 6.432 2.172 -8.557 1.00 0.00 H new ATOM 0 H72 DT A 7 7.303 3.716 -8.395 1.00 0.00 H new ATOM 0 H73 DT A 7 7.456 2.761 -9.888 1.00 0.00 H new ATOM 0 H6 DT A 7 7.473 1.157 -6.623 1.00 0.00 H new ATOM 227 P DG A 8 9.209 -1.709 -2.136 1.00 0.00 P ATOM 228 OP1 DG A 8 10.194 -1.499 -3.222 1.00 0.00 O ATOM 229 OP2 DG A 8 9.310 -2.928 -1.309 1.00 0.00 O ATOM 230 O5' DG A 8 9.296 -0.440 -1.168 1.00 0.00 O ATOM 231 C5' DG A 8 8.167 0.037 -0.419 1.00 0.00 C ATOM 232 C4' DG A 8 7.907 -0.853 0.777 1.00 0.00 C ATOM 233 O4' DG A 8 7.021 -1.928 0.394 1.00 0.00 O ATOM 234 C3' DG A 8 9.155 -1.528 1.363 1.00 0.00 C ATOM 235 O3' DG A 8 9.407 -1.053 2.689 1.00 0.00 O ATOM 236 C2' DG A 8 8.816 -3.011 1.406 1.00 0.00 C ATOM 237 C1' DG A 8 7.303 -3.021 1.236 1.00 0.00 C ATOM 238 N9 DG A 8 6.812 -4.235 0.594 1.00 0.00 N ATOM 239 C8 DG A 8 7.044 -4.636 -0.699 1.00 0.00 C ATOM 240 N7 DG A 8 6.518 -5.796 -0.978 1.00 0.00 N ATOM 241 C5 DG A 8 5.881 -6.176 0.197 1.00 0.00 C ATOM 242 C6 DG A 8 5.129 -7.342 0.502 1.00 0.00 C ATOM 243 O6 DG A 8 4.867 -8.305 -0.227 1.00 0.00 O ATOM 244 N1 DG A 8 4.662 -7.320 1.812 1.00 0.00 N ATOM 245 C2 DG A 8 4.887 -6.309 2.711 1.00 0.00 C ATOM 246 N2 DG A 8 4.351 -6.469 3.926 1.00 0.00 N ATOM 247 N3 DG A 8 5.585 -5.219 2.442 1.00 0.00 N ATOM 248 C4 DG A 8 6.049 -5.219 1.175 1.00 0.00 C ATOM 0 H5' DG A 8 7.285 0.063 -1.058 1.00 0.00 H new ATOM 0 H5'' DG A 8 8.350 1.059 -0.086 1.00 0.00 H new ATOM 0 H4' DG A 8 7.491 -0.186 1.532 1.00 0.00 H new ATOM 0 H3' DG A 8 10.045 -1.318 0.770 1.00 0.00 H new ATOM 0 H2' DG A 8 9.315 -3.562 0.609 1.00 0.00 H new ATOM 0 H2'' DG A 8 9.119 -3.467 2.348 1.00 0.00 H new ATOM 0 H1' DG A 8 6.822 -2.969 2.212 1.00 0.00 H new ATOM 0 H8 DG A 8 7.605 -4.050 -1.412 1.00 0.00 H new ATOM 0 H1 DG A 8 4.110 -8.117 2.128 1.00 0.00 H new ATOM 0 H21 DG A 8 4.482 -5.752 4.640 1.00 0.00 H new ATOM 0 H22 DG A 8 3.811 -7.308 4.139 1.00 0.00 H new ATOM 260 P DT A 9 9.825 0.481 2.923 1.00 0.00 P ATOM 261 OP1 DT A 9 10.589 0.926 1.729 1.00 0.00 O ATOM 262 OP2 DT A 9 10.443 0.587 4.269 1.00 0.00 O ATOM 263 O5' DT A 9 8.433 1.258 2.951 1.00 0.00 O ATOM 264 C5' DT A 9 8.360 2.643 2.610 1.00 0.00 C ATOM 265 C4' DT A 9 7.818 3.445 3.768 1.00 0.00 C ATOM 266 O4' DT A 9 6.592 2.854 4.253 1.00 0.00 O ATOM 267 C3' DT A 9 8.733 3.557 4.995 1.00 0.00 C ATOM 268 O3' DT A 9 9.258 4.896 5.137 1.00 0.00 O ATOM 269 C2' DT A 9 7.837 3.188 6.175 1.00 0.00 C ATOM 270 C1' DT A 9 6.445 3.274 5.586 1.00 0.00 C ATOM 271 N1 DT A 9 5.387 2.453 6.218 1.00 0.00 N ATOM 272 C2 DT A 9 4.263 3.146 6.606 1.00 0.00 C ATOM 273 O2 DT A 9 4.157 4.356 6.495 1.00 0.00 O ATOM 274 N3 DT A 9 3.266 2.379 7.131 1.00 0.00 N ATOM 275 C4 DT A 9 3.264 1.017 7.297 1.00 0.00 C ATOM 276 O4 DT A 9 2.281 0.465 7.781 1.00 0.00 O ATOM 277 C5 DT A 9 4.468 0.337 6.876 1.00 0.00 C ATOM 278 C7 DT A 9 4.432 -1.158 6.806 1.00 0.00 C ATOM 279 C6 DT A 9 5.488 1.080 6.392 1.00 0.00 C ATOM 0 H5' DT A 9 7.720 2.775 1.737 1.00 0.00 H new ATOM 0 H5'' DT A 9 9.350 3.009 2.338 1.00 0.00 H new ATOM 0 H4' DT A 9 7.695 4.442 3.345 1.00 0.00 H new ATOM 0 H3' DT A 9 9.604 2.907 4.919 1.00 0.00 H new ATOM 0 H2' DT A 9 8.055 2.188 6.550 1.00 0.00 H new ATOM 0 H2'' DT A 9 7.965 3.877 7.010 1.00 0.00 H new ATOM 0 H1' DT A 9 6.097 4.296 5.735 1.00 0.00 H new ATOM 0 H3 DT A 9 2.427 2.873 7.435 1.00 0.00 H new ATOM 0 H71 DT A 9 5.115 -1.502 6.029 1.00 0.00 H new ATOM 0 H72 DT A 9 4.735 -1.575 7.767 1.00 0.00 H new ATOM 0 H73 DT A 9 3.420 -1.487 6.571 1.00 0.00 H new ATOM 0 H6 DT A 9 6.414 0.588 6.132 1.00 0.00 H new ATOM 292 P DG A 10 8.356 6.185 4.759 1.00 0.00 P ATOM 293 OP1 DG A 10 9.233 7.373 4.916 1.00 0.00 O ATOM 294 OP2 DG A 10 7.079 6.119 5.511 1.00 0.00 O ATOM 295 O5' DG A 10 8.052 6.021 3.200 1.00 0.00 O ATOM 296 C5' DG A 10 6.735 6.224 2.666 1.00 0.00 C ATOM 297 C4' DG A 10 6.814 6.842 1.290 1.00 0.00 C ATOM 298 O4' DG A 10 6.906 5.779 0.316 1.00 0.00 O ATOM 299 C3' DG A 10 5.587 7.661 0.895 1.00 0.00 C ATOM 300 O3' DG A 10 5.936 8.748 0.016 1.00 0.00 O ATOM 301 C2' DG A 10 4.694 6.639 0.214 1.00 0.00 C ATOM 302 C1' DG A 10 5.669 5.617 -0.362 1.00 0.00 C ATOM 303 N9 DG A 10 5.250 4.228 -0.203 1.00 0.00 N ATOM 304 C8 DG A 10 5.634 3.164 -0.975 1.00 0.00 C ATOM 305 N7 DG A 10 5.069 2.039 -0.627 1.00 0.00 N ATOM 306 C5 DG A 10 4.272 2.382 0.458 1.00 0.00 C ATOM 307 C6 DG A 10 3.418 1.588 1.271 1.00 0.00 C ATOM 308 O6 DG A 10 3.160 0.386 1.200 1.00 0.00 O ATOM 309 N1 DG A 10 2.823 2.335 2.260 1.00 0.00 N ATOM 310 C2 DG A 10 3.000 3.681 2.457 1.00 0.00 C ATOM 311 N2 DG A 10 2.337 4.223 3.477 1.00 0.00 N ATOM 312 N3 DG A 10 3.776 4.439 1.709 1.00 0.00 N ATOM 313 C4 DG A 10 4.382 3.730 0.736 1.00 0.00 C ATOM 0 H5' DG A 10 6.162 6.871 3.330 1.00 0.00 H new ATOM 0 H5'' DG A 10 6.206 5.272 2.614 1.00 0.00 H new ATOM 0 H4' DG A 10 7.678 7.506 1.314 1.00 0.00 H new ATOM 0 H3' DG A 10 5.102 8.143 1.743 1.00 0.00 H new ATOM 0 H2' DG A 10 4.005 6.178 0.921 1.00 0.00 H new ATOM 0 H2'' DG A 10 4.089 7.097 -0.568 1.00 0.00 H new ATOM 0 H1' DG A 10 5.730 5.803 -1.434 1.00 0.00 H new ATOM 0 H8 DG A 10 6.336 3.247 -1.792 1.00 0.00 H new ATOM 0 H1 DG A 10 2.197 1.847 2.901 1.00 0.00 H new ATOM 0 H21 DG A 10 2.429 5.220 3.673 1.00 0.00 H new ATOM 0 H22 DG A 10 1.737 3.641 4.062 1.00 0.00 H new ATOM 325 P DG A 11 6.602 8.460 -1.425 1.00 0.00 P ATOM 326 OP1 DG A 11 7.843 7.674 -1.214 1.00 0.00 O ATOM 327 OP2 DG A 11 6.675 9.756 -2.148 1.00 0.00 O ATOM 328 O5' DG A 11 5.545 7.538 -2.182 1.00 0.00 O ATOM 329 C5' DG A 11 4.396 8.101 -2.818 1.00 0.00 C ATOM 330 C4' DG A 11 4.012 7.281 -4.027 1.00 0.00 C ATOM 331 O4' DG A 11 3.600 5.959 -3.595 1.00 0.00 O ATOM 332 C3' DG A 11 2.838 7.848 -4.824 1.00 0.00 C ATOM 333 O3' DG A 11 3.045 7.659 -6.226 1.00 0.00 O ATOM 334 C2' DG A 11 1.652 7.032 -4.345 1.00 0.00 C ATOM 335 C1' DG A 11 2.274 5.690 -4.024 1.00 0.00 C ATOM 336 N9 DG A 11 1.595 4.963 -2.955 1.00 0.00 N ATOM 337 C8 DG A 11 1.101 5.501 -1.794 1.00 0.00 C ATOM 338 N7 DG A 11 0.541 4.620 -1.012 1.00 0.00 N ATOM 339 C5 DG A 11 0.678 3.420 -1.697 1.00 0.00 C ATOM 340 C6 DG A 11 0.267 2.106 -1.341 1.00 0.00 C ATOM 341 O6 DG A 11 -0.290 1.722 -0.303 1.00 0.00 O ATOM 342 N1 DG A 11 0.576 1.188 -2.337 1.00 0.00 N ATOM 343 C2 DG A 11 1.230 1.487 -3.511 1.00 0.00 C ATOM 344 N2 DG A 11 1.455 0.464 -4.341 1.00 0.00 N ATOM 345 N3 DG A 11 1.632 2.702 -3.846 1.00 0.00 N ATOM 346 C4 DG A 11 1.321 3.614 -2.903 1.00 0.00 C ATOM 0 H5' DG A 11 4.604 9.128 -3.118 1.00 0.00 H new ATOM 0 H5'' DG A 11 3.564 8.137 -2.115 1.00 0.00 H new ATOM 0 H4' DG A 11 4.896 7.278 -4.665 1.00 0.00 H new ATOM 0 H3' DG A 11 2.703 8.919 -4.677 1.00 0.00 H new ATOM 0 H2' DG A 11 1.181 7.479 -3.470 1.00 0.00 H new ATOM 0 H2'' DG A 11 0.883 6.948 -5.113 1.00 0.00 H new ATOM 0 H1' DG A 11 2.211 5.064 -4.914 1.00 0.00 H new ATOM 0 H8 DG A 11 1.169 6.551 -1.551 1.00 0.00 H new ATOM 0 H1 DG A 11 0.297 0.218 -2.187 1.00 0.00 H new ATOM 0 H21 DG A 11 1.935 0.622 -5.227 1.00 0.00 H new ATOM 0 H22 DG A 11 1.146 -0.475 -4.089 1.00 0.00 H new ATOM 358 P DT A 12 2.787 8.878 -7.241 1.00 0.00 P ATOM 359 OP1 DT A 12 2.061 8.348 -8.424 1.00 0.00 O ATOM 360 OP2 DT A 12 4.084 9.577 -7.430 1.00 0.00 O ATOM 361 O5' DT A 12 1.814 9.854 -6.439 1.00 0.00 O ATOM 362 C5' DT A 12 0.449 10.018 -6.826 1.00 0.00 C ATOM 363 C4' DT A 12 -0.377 10.477 -5.647 1.00 0.00 C ATOM 364 O4' DT A 12 -1.768 10.526 -6.038 1.00 0.00 O ATOM 365 C3' DT A 12 -0.339 9.558 -4.431 1.00 0.00 C ATOM 366 O3' DT A 12 -0.578 10.322 -3.240 1.00 0.00 O ATOM 367 C2' DT A 12 -1.462 8.578 -4.726 1.00 0.00 C ATOM 368 C1' DT A 12 -2.485 9.447 -5.447 1.00 0.00 C ATOM 369 N1 DT A 12 -3.221 8.760 -6.522 1.00 0.00 N ATOM 370 C2 DT A 12 -4.555 9.058 -6.691 1.00 0.00 C ATOM 371 O2 DT A 12 -5.157 9.848 -5.984 1.00 0.00 O ATOM 372 N3 DT A 12 -5.162 8.395 -7.723 1.00 0.00 N ATOM 373 C4 DT A 12 -4.584 7.490 -8.586 1.00 0.00 C ATOM 374 O4 DT A 12 -5.262 6.968 -9.465 1.00 0.00 O ATOM 375 C5 DT A 12 -3.181 7.223 -8.353 1.00 0.00 C ATOM 376 C7 DT A 12 -2.449 6.332 -9.306 1.00 0.00 C ATOM 377 C6 DT A 12 -2.576 7.852 -7.335 1.00 0.00 C ATOM 0 H5' DT A 12 0.057 9.076 -7.209 1.00 0.00 H new ATOM 0 H5'' DT A 12 0.378 10.746 -7.634 1.00 0.00 H new ATOM 0 H4' DT A 12 0.053 11.439 -5.368 1.00 0.00 H new ATOM 0 H3' DT A 12 0.614 9.056 -4.265 1.00 0.00 H new ATOM 0 H2' DT A 12 -1.123 7.750 -5.349 1.00 0.00 H new ATOM 0 H2'' DT A 12 -1.871 8.144 -3.813 1.00 0.00 H new ATOM 0 H1' DT A 12 -3.227 9.753 -4.709 1.00 0.00 H new ATOM 0 H3 DT A 12 -6.152 8.593 -7.869 1.00 0.00 H new ATOM 0 H71 DT A 12 -1.401 6.628 -9.348 1.00 0.00 H new ATOM 0 H72 DT A 12 -2.521 5.299 -8.967 1.00 0.00 H new ATOM 0 H73 DT A 12 -2.891 6.420 -10.299 1.00 0.00 H new ATOM 0 H6 DT A 12 -1.535 7.637 -7.143 1.00 0.00 H new ATOM 390 P DT A 13 -1.182 9.610 -1.929 1.00 0.00 P ATOM 391 OP1 DT A 13 -2.644 9.865 -1.965 1.00 0.00 O ATOM 392 OP2 DT A 13 -0.390 10.047 -0.752 1.00 0.00 O ATOM 393 O5' DT A 13 -0.917 8.055 -2.168 1.00 0.00 O ATOM 394 C5' DT A 13 -1.590 7.060 -1.392 1.00 0.00 C ATOM 395 C4' DT A 13 -3.012 6.896 -1.872 1.00 0.00 C ATOM 396 O4' DT A 13 -3.008 6.118 -3.088 1.00 0.00 O ATOM 397 C3' DT A 13 -3.944 6.158 -0.904 1.00 0.00 C ATOM 398 O3' DT A 13 -4.947 7.052 -0.404 1.00 0.00 O ATOM 399 C2' DT A 13 -4.592 5.067 -1.750 1.00 0.00 C ATOM 400 C1' DT A 13 -4.249 5.463 -3.175 1.00 0.00 C ATOM 401 N1 DT A 13 -4.111 4.344 -4.128 1.00 0.00 N ATOM 402 C2 DT A 13 -4.954 4.322 -5.215 1.00 0.00 C ATOM 403 O2 DT A 13 -5.795 5.181 -5.424 1.00 0.00 O ATOM 404 N3 DT A 13 -4.779 3.255 -6.054 1.00 0.00 N ATOM 405 C4 DT A 13 -3.866 2.232 -5.920 1.00 0.00 C ATOM 406 O4 DT A 13 -3.832 1.335 -6.755 1.00 0.00 O ATOM 407 C5 DT A 13 -3.011 2.314 -4.759 1.00 0.00 C ATOM 408 C7 DT A 13 -2.020 1.219 -4.512 1.00 0.00 C ATOM 409 C6 DT A 13 -3.167 3.356 -3.928 1.00 0.00 C ATOM 0 H5' DT A 13 -1.584 7.344 -0.340 1.00 0.00 H new ATOM 0 H5'' DT A 13 -1.061 6.110 -1.468 1.00 0.00 H new ATOM 0 H4' DT A 13 -3.387 7.912 -1.991 1.00 0.00 H new ATOM 0 H3' DT A 13 -3.412 5.757 -0.041 1.00 0.00 H new ATOM 0 H2' DT A 13 -4.198 4.081 -1.503 1.00 0.00 H new ATOM 0 H2'' DT A 13 -5.670 5.027 -1.594 1.00 0.00 H new ATOM 0 H1' DT A 13 -5.069 6.067 -3.563 1.00 0.00 H new ATOM 0 H3 DT A 13 -5.392 3.212 -6.868 1.00 0.00 H new ATOM 0 H71 DT A 13 -2.406 0.282 -4.912 1.00 0.00 H new ATOM 0 H72 DT A 13 -1.078 1.463 -5.004 1.00 0.00 H new ATOM 0 H73 DT A 13 -1.853 1.115 -3.440 1.00 0.00 H new ATOM 0 H6 DT A 13 -2.525 3.425 -3.063 1.00 0.00 H new ATOM 422 P DG A 14 -4.546 8.207 0.645 1.00 0.00 P ATOM 423 OP1 DG A 14 -5.701 9.135 0.723 1.00 0.00 O ATOM 424 OP2 DG A 14 -3.202 8.738 0.309 1.00 0.00 O ATOM 425 O5' DG A 14 -4.434 7.445 2.040 1.00 0.00 O ATOM 426 C5' DG A 14 -3.770 8.045 3.158 1.00 0.00 C ATOM 427 C4' DG A 14 -4.519 7.738 4.434 1.00 0.00 C ATOM 428 O4' DG A 14 -4.992 6.370 4.376 1.00 0.00 O ATOM 429 C3' DG A 14 -3.695 7.824 5.719 1.00 0.00 C ATOM 430 O3' DG A 14 -4.563 8.215 6.804 1.00 0.00 O ATOM 431 C2' DG A 14 -3.145 6.414 5.836 1.00 0.00 C ATOM 432 C1' DG A 14 -4.304 5.577 5.333 1.00 0.00 C ATOM 433 N9 DG A 14 -3.905 4.334 4.685 1.00 0.00 N ATOM 434 C8 DG A 14 -4.344 3.073 4.992 1.00 0.00 C ATOM 435 N7 DG A 14 -3.840 2.150 4.220 1.00 0.00 N ATOM 436 C5 DG A 14 -2.998 2.844 3.362 1.00 0.00 C ATOM 437 C6 DG A 14 -2.172 2.378 2.306 1.00 0.00 C ATOM 438 O6 DG A 14 -1.997 1.212 1.915 1.00 0.00 O ATOM 439 N1 DG A 14 -1.500 3.426 1.685 1.00 0.00 N ATOM 440 C2 DG A 14 -1.578 4.744 2.056 1.00 0.00 C ATOM 441 N2 DG A 14 -0.813 5.599 1.366 1.00 0.00 N ATOM 442 N3 DG A 14 -2.342 5.191 3.037 1.00 0.00 N ATOM 443 C4 DG A 14 -3.023 4.194 3.640 1.00 0.00 C ATOM 0 H5' DG A 14 -3.705 9.124 3.016 1.00 0.00 H new ATOM 0 H5'' DG A 14 -2.749 7.671 3.228 1.00 0.00 H new ATOM 0 H4' DG A 14 -5.302 8.495 4.483 1.00 0.00 H new ATOM 0 H3' DG A 14 -2.892 8.561 5.731 1.00 0.00 H new ATOM 0 H2' DG A 14 -2.249 6.275 5.231 1.00 0.00 H new ATOM 0 H2'' DG A 14 -2.878 6.165 6.863 1.00 0.00 H new ATOM 0 H1' DG A 14 -4.911 5.295 6.194 1.00 0.00 H new ATOM 0 H8 DG A 14 -5.038 2.864 5.793 1.00 0.00 H new ATOM 0 H1 DG A 14 -0.902 3.196 0.891 1.00 0.00 H new ATOM 0 H21 DG A 14 -0.826 6.593 1.594 1.00 0.00 H new ATOM 0 H22 DG A 14 -0.217 5.256 0.613 1.00 0.00 H new ATOM 455 P DG A 15 -4.437 7.527 8.259 1.00 0.00 P ATOM 456 OP1 DG A 15 -4.513 6.051 8.123 1.00 0.00 O ATOM 457 OP2 DG A 15 -5.434 8.224 9.109 1.00 0.00 O ATOM 458 O5' DG A 15 -3.000 7.966 8.805 1.00 0.00 O ATOM 459 C5' DG A 15 -1.826 7.156 8.633 1.00 0.00 C ATOM 460 C4' DG A 15 -2.060 5.754 9.150 1.00 0.00 C ATOM 461 O4' DG A 15 -1.905 4.822 8.051 1.00 0.00 O ATOM 462 C3' DG A 15 -1.082 5.297 10.238 1.00 0.00 C ATOM 463 O3' DG A 15 -1.776 4.631 11.295 1.00 0.00 O ATOM 464 C2' DG A 15 -0.166 4.321 9.519 1.00 0.00 C ATOM 465 C1' DG A 15 -1.076 3.750 8.455 1.00 0.00 C ATOM 466 N9 DG A 15 -0.395 3.239 7.270 1.00 0.00 N ATOM 467 C8 DG A 15 0.337 3.958 6.358 1.00 0.00 C ATOM 468 N7 DG A 15 0.817 3.226 5.391 1.00 0.00 N ATOM 469 C5 DG A 15 0.383 1.942 5.685 1.00 0.00 C ATOM 470 C6 DG A 15 0.595 0.717 4.996 1.00 0.00 C ATOM 471 O6 DG A 15 1.225 0.514 3.944 1.00 0.00 O ATOM 472 N1 DG A 15 -0.020 -0.346 5.648 1.00 0.00 N ATOM 473 C2 DG A 15 -0.750 -0.245 6.807 1.00 0.00 C ATOM 474 N2 DG A 15 -1.268 -1.382 7.283 1.00 0.00 N ATOM 475 N3 DG A 15 -0.957 0.886 7.455 1.00 0.00 N ATOM 476 C4 DG A 15 -0.365 1.932 6.844 1.00 0.00 C ATOM 0 H5' DG A 15 -0.986 7.608 9.161 1.00 0.00 H new ATOM 0 H5'' DG A 15 -1.556 7.119 7.578 1.00 0.00 H new ATOM 0 H4' DG A 15 -3.060 5.770 9.584 1.00 0.00 H new ATOM 0 H3' DG A 15 -0.547 6.130 10.694 1.00 0.00 H new ATOM 0 H2' DG A 15 0.702 4.820 9.087 1.00 0.00 H new ATOM 0 H2'' DG A 15 0.211 3.548 10.189 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.134 4.345 11.979 1.00 0.00 H new ATOM 0 H1' DG A 15 -1.600 2.896 8.884 1.00 0.00 H new ATOM 0 H8 DG A 15 0.499 5.023 6.434 1.00 0.00 H new ATOM 0 H1 DG A 15 0.079 -1.273 5.233 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.820 -1.371 8.141 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.111 -2.260 6.788 1.00 0.00 H new TER 489 DG A 15