USER MOD reduce.3.24.130724 H: found=0, std=0, add=253, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 253 hydrogens (14 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 5 DT C7 :methyl 150:sc= -1.29 (180deg=-1.29) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.628 (180deg=-1.06) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 36:sc= 0.031 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.383 (180deg=-0.383) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.530 -14.115 0.364 1.00 0.00 O ATOM 2 C5' DC A 1 7.837 -15.085 -0.615 1.00 0.00 C ATOM 3 C4' DC A 1 6.946 -14.926 -1.853 1.00 0.00 C ATOM 4 O4' DC A 1 5.605 -15.111 -1.431 1.00 0.00 O ATOM 5 C3' DC A 1 7.051 -13.522 -2.468 1.00 0.00 C ATOM 6 O3' DC A 1 7.145 -13.655 -3.878 1.00 0.00 O ATOM 7 C2' DC A 1 5.735 -12.880 -2.036 1.00 0.00 C ATOM 8 C1' DC A 1 4.815 -14.098 -2.023 1.00 0.00 C ATOM 9 N1 DC A 1 3.602 -13.900 -1.181 1.00 0.00 N ATOM 10 C2 DC A 1 2.343 -13.935 -1.787 1.00 0.00 C ATOM 11 O2 DC A 1 2.224 -14.058 -3.003 1.00 0.00 O ATOM 12 N3 DC A 1 1.234 -13.830 -0.998 1.00 0.00 N ATOM 13 C4 DC A 1 1.341 -13.654 0.328 1.00 0.00 C ATOM 14 N4 DC A 1 0.224 -13.561 1.057 1.00 0.00 N ATOM 15 C5 DC A 1 2.623 -13.593 0.971 1.00 0.00 C ATOM 16 C6 DC A 1 3.713 -13.724 0.179 1.00 0.00 C ATOM 0 H5' DC A 1 7.706 -16.083 -0.196 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.884 -14.995 -0.904 1.00 0.00 H new ATOM 0 H4' DC A 1 7.262 -15.650 -2.604 1.00 0.00 H new ATOM 0 H3' DC A 1 7.915 -12.935 -2.158 1.00 0.00 H new ATOM 0 H2' DC A 1 5.808 -12.406 -1.057 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.399 -12.115 -2.736 1.00 0.00 H new ATOM 0 HO5' DC A 1 8.112 -14.241 1.143 1.00 0.00 H new ATOM 0 H1' DC A 1 4.457 -14.319 -3.029 1.00 0.00 H new ATOM 0 H41 DC A 1 0.283 -13.427 2.066 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.688 -13.624 0.604 1.00 0.00 H new ATOM 0 H5 DC A 1 2.714 -13.449 2.038 1.00 0.00 H new ATOM 0 H6 DC A 1 4.695 -13.689 0.626 1.00 0.00 H new ATOM 29 P DG A 2 7.377 -12.386 -4.852 1.00 0.00 P ATOM 30 OP1 DG A 2 8.154 -12.847 -6.024 1.00 0.00 O ATOM 31 OP2 DG A 2 7.882 -11.257 -4.039 1.00 0.00 O ATOM 32 O5' DG A 2 5.886 -12.013 -5.347 1.00 0.00 O ATOM 33 C5' DG A 2 5.219 -12.778 -6.335 1.00 0.00 C ATOM 34 C4' DG A 2 3.888 -12.125 -6.726 1.00 0.00 C ATOM 35 O4' DG A 2 3.001 -12.224 -5.624 1.00 0.00 O ATOM 36 C3' DG A 2 4.048 -10.635 -7.065 1.00 0.00 C ATOM 37 O3' DG A 2 3.262 -10.397 -8.223 1.00 0.00 O ATOM 38 C2' DG A 2 3.482 -9.990 -5.801 1.00 0.00 C ATOM 39 C1' DG A 2 2.393 -10.961 -5.461 1.00 0.00 C ATOM 40 N9 DG A 2 1.833 -10.866 -4.100 1.00 0.00 N ATOM 41 C8 DG A 2 2.476 -10.605 -2.921 1.00 0.00 C ATOM 42 N7 DG A 2 1.718 -10.707 -1.865 1.00 0.00 N ATOM 43 C5 DG A 2 0.466 -11.026 -2.386 1.00 0.00 C ATOM 44 C6 DG A 2 -0.783 -11.235 -1.727 1.00 0.00 C ATOM 45 O6 DG A 2 -0.999 -11.291 -0.520 1.00 0.00 O ATOM 46 N1 DG A 2 -1.841 -11.386 -2.620 1.00 0.00 N ATOM 47 C2 DG A 2 -1.705 -11.383 -3.997 1.00 0.00 C ATOM 48 N2 DG A 2 -2.814 -11.527 -4.727 1.00 0.00 N ATOM 49 N3 DG A 2 -0.523 -11.247 -4.618 1.00 0.00 N ATOM 50 C4 DG A 2 0.517 -11.067 -3.759 1.00 0.00 C ATOM 0 H5' DG A 2 5.038 -13.785 -5.960 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.854 -12.875 -7.216 1.00 0.00 H new ATOM 0 H4' DG A 2 3.511 -12.641 -7.609 1.00 0.00 H new ATOM 0 H3' DG A 2 5.048 -10.265 -7.291 1.00 0.00 H new ATOM 0 H2' DG A 2 4.226 -9.908 -5.009 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.099 -8.986 -5.984 1.00 0.00 H new ATOM 0 H1' DG A 2 1.534 -10.760 -6.102 1.00 0.00 H new ATOM 0 H8 DG A 2 3.521 -10.338 -2.869 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.777 -11.507 -2.234 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.757 -11.530 -5.745 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.718 -11.634 -4.266 1.00 0.00 H new ATOM 62 P DC A 3 3.025 -8.936 -8.869 1.00 0.00 P ATOM 63 OP1 DC A 3 3.235 -9.039 -10.330 1.00 0.00 O ATOM 64 OP2 DC A 3 3.774 -7.926 -8.088 1.00 0.00 O ATOM 65 O5' DC A 3 1.447 -8.723 -8.598 1.00 0.00 O ATOM 66 C5' DC A 3 0.486 -9.573 -9.200 1.00 0.00 C ATOM 67 C4' DC A 3 -0.948 -9.108 -8.921 1.00 0.00 C ATOM 68 O4' DC A 3 -1.186 -9.216 -7.527 1.00 0.00 O ATOM 69 C3' DC A 3 -1.162 -7.646 -9.323 1.00 0.00 C ATOM 70 O3' DC A 3 -2.446 -7.558 -9.922 1.00 0.00 O ATOM 71 C2' DC A 3 -1.084 -6.929 -7.977 1.00 0.00 C ATOM 72 C1' DC A 3 -1.678 -7.980 -7.038 1.00 0.00 C ATOM 73 N1 DC A 3 -1.216 -7.906 -5.623 1.00 0.00 N ATOM 74 C2 DC A 3 -2.132 -8.156 -4.595 1.00 0.00 C ATOM 75 O2 DC A 3 -3.318 -8.366 -4.835 1.00 0.00 O ATOM 76 N3 DC A 3 -1.686 -8.163 -3.305 1.00 0.00 N ATOM 77 C4 DC A 3 -0.393 -7.949 -3.021 1.00 0.00 C ATOM 78 N4 DC A 3 0.000 -7.962 -1.745 1.00 0.00 N ATOM 79 C5 DC A 3 0.576 -7.762 -4.061 1.00 0.00 C ATOM 80 C6 DC A 3 0.118 -7.750 -5.335 1.00 0.00 C ATOM 0 H5' DC A 3 0.617 -10.589 -8.827 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.654 -9.605 -10.277 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.627 -9.730 -9.503 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.455 -7.227 -10.039 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.060 -6.671 -7.708 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.658 -6.003 -7.972 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.759 -7.840 -7.028 1.00 0.00 H new ATOM 0 H41 DC A 3 0.980 -7.801 -1.511 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.680 -8.133 -1.004 1.00 0.00 H new ATOM 0 H5 DC A 3 1.625 -7.636 -3.838 1.00 0.00 H new ATOM 0 H6 DC A 3 0.819 -7.614 -6.145 1.00 0.00 H new ATOM 92 P DA A 4 -3.079 -6.166 -10.443 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.030 -6.472 -11.536 1.00 0.00 O ATOM 94 OP2 DA A 4 -1.980 -5.202 -10.673 1.00 0.00 O ATOM 95 O5' DA A 4 -3.924 -5.676 -9.159 1.00 0.00 O ATOM 96 C5' DA A 4 -5.135 -6.310 -8.794 1.00 0.00 C ATOM 97 C4' DA A 4 -5.697 -5.689 -7.515 1.00 0.00 C ATOM 98 O4' DA A 4 -4.937 -6.058 -6.388 1.00 0.00 O ATOM 99 C3' DA A 4 -5.876 -4.170 -7.559 1.00 0.00 C ATOM 100 O3' DA A 4 -7.247 -3.820 -7.403 1.00 0.00 O ATOM 101 C2' DA A 4 -5.044 -3.851 -6.360 1.00 0.00 C ATOM 102 C1' DA A 4 -5.170 -5.038 -5.449 1.00 0.00 C ATOM 103 N9 DA A 4 -4.069 -5.093 -4.491 1.00 0.00 N ATOM 104 C8 DA A 4 -2.759 -5.020 -4.822 1.00 0.00 C ATOM 105 N7 DA A 4 -1.936 -5.076 -3.813 1.00 0.00 N ATOM 106 C5 DA A 4 -2.794 -5.216 -2.723 1.00 0.00 C ATOM 107 C6 DA A 4 -2.575 -5.351 -1.339 1.00 0.00 C ATOM 108 N6 DA A 4 -1.352 -5.391 -0.801 1.00 0.00 N ATOM 109 N1 DA A 4 -3.645 -5.451 -0.528 1.00 0.00 N ATOM 110 C2 DA A 4 -4.867 -5.430 -1.055 1.00 0.00 C ATOM 111 N3 DA A 4 -5.208 -5.324 -2.336 1.00 0.00 N ATOM 112 C4 DA A 4 -4.107 -5.223 -3.129 1.00 0.00 C ATOM 0 H5' DA A 4 -4.964 -7.376 -8.644 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.861 -6.214 -9.602 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.702 -6.102 -7.432 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.594 -3.651 -8.475 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.004 -3.681 -6.639 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.395 -2.943 -5.870 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.098 -5.063 -4.877 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.422 -4.923 -5.843 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.242 -5.490 0.208 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.529 -5.323 -1.400 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.685 -5.509 -0.354 1.00 0.00 H new ATOM 124 P DT A 5 -7.754 -2.289 -7.208 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.137 -2.198 -7.727 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.712 -1.381 -7.738 1.00 0.00 O ATOM 127 O5' DT A 5 -7.809 -2.099 -5.598 1.00 0.00 O ATOM 128 C5' DT A 5 -8.792 -2.756 -4.820 1.00 0.00 C ATOM 129 C4' DT A 5 -8.654 -2.467 -3.319 1.00 0.00 C ATOM 130 O4' DT A 5 -7.429 -2.955 -2.839 1.00 0.00 O ATOM 131 C3' DT A 5 -8.791 -0.994 -2.907 1.00 0.00 C ATOM 132 O3' DT A 5 -9.911 -0.897 -2.036 1.00 0.00 O ATOM 133 C2' DT A 5 -7.475 -0.714 -2.190 1.00 0.00 C ATOM 134 C1' DT A 5 -7.021 -2.110 -1.783 1.00 0.00 C ATOM 135 N1 DT A 5 -5.549 -2.160 -1.821 1.00 0.00 N ATOM 136 C2 DT A 5 -4.842 -2.295 -0.637 1.00 0.00 C ATOM 137 O2 DT A 5 -5.377 -2.569 0.434 1.00 0.00 O ATOM 138 N3 DT A 5 -3.476 -2.094 -0.731 1.00 0.00 N ATOM 139 C4 DT A 5 -2.749 -1.968 -1.905 1.00 0.00 C ATOM 140 O4 DT A 5 -1.520 -1.945 -1.858 1.00 0.00 O ATOM 141 C5 DT A 5 -3.566 -1.872 -3.108 1.00 0.00 C ATOM 142 C7 DT A 5 -2.884 -1.687 -4.451 1.00 0.00 C ATOM 143 C6 DT A 5 -4.923 -1.949 -3.021 1.00 0.00 C ATOM 0 H5' DT A 5 -8.722 -3.831 -4.986 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.782 -2.446 -5.156 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.502 -2.984 -2.870 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.956 -0.287 -3.721 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.752 -0.226 -2.844 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.613 -0.064 -1.326 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.410 -2.378 -0.801 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.956 -2.033 0.144 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.489 -2.146 -5.233 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.770 -0.623 -4.658 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.902 -2.159 -4.428 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.518 -1.842 -3.916 1.00 0.00 H new ATOM 156 P DA A 6 -10.361 0.477 -1.307 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.756 0.308 -0.843 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.018 1.607 -2.198 1.00 0.00 O ATOM 159 O5' DA A 6 -9.407 0.560 -0.001 1.00 0.00 O ATOM 160 C5' DA A 6 -9.473 -0.394 1.044 1.00 0.00 C ATOM 161 C4' DA A 6 -8.469 -0.069 2.163 1.00 0.00 C ATOM 162 O4' DA A 6 -7.186 -0.540 1.785 1.00 0.00 O ATOM 163 C3' DA A 6 -8.341 1.432 2.494 1.00 0.00 C ATOM 164 O3' DA A 6 -9.001 1.722 3.716 1.00 0.00 O ATOM 165 C2' DA A 6 -6.841 1.535 2.569 1.00 0.00 C ATOM 166 C1' DA A 6 -6.247 0.170 2.567 1.00 0.00 C ATOM 167 N9 DA A 6 -4.970 0.271 1.826 1.00 0.00 N ATOM 168 C8 DA A 6 -4.849 0.504 0.493 1.00 0.00 C ATOM 169 N7 DA A 6 -3.646 0.654 0.035 1.00 0.00 N ATOM 170 C5 DA A 6 -2.892 0.504 1.181 1.00 0.00 C ATOM 171 C6 DA A 6 -1.507 0.427 1.384 1.00 0.00 C ATOM 172 N6 DA A 6 -0.644 0.390 0.365 1.00 0.00 N ATOM 173 N1 DA A 6 -1.064 0.308 2.646 1.00 0.00 N ATOM 174 C2 DA A 6 -1.953 0.267 3.636 1.00 0.00 C ATOM 175 N3 DA A 6 -3.278 0.293 3.580 1.00 0.00 N ATOM 176 C4 DA A 6 -3.692 0.395 2.296 1.00 0.00 C ATOM 0 H5' DA A 6 -9.267 -1.388 0.646 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.483 -0.418 1.454 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.853 -0.562 3.056 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.791 2.136 1.794 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.463 2.109 1.723 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.548 2.069 3.473 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.061 -0.278 3.543 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.713 0.561 -0.153 1.00 0.00 H new ATOM 0 H61 DA A 6 0.358 0.334 0.547 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.987 0.418 -0.595 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.534 0.203 4.630 1.00 0.00 H new ATOM 188 P DT A 7 -8.994 3.192 4.395 1.00 0.00 P ATOM 189 OP1 DT A 7 -9.999 3.195 5.482 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.075 4.206 3.320 1.00 0.00 O ATOM 191 O5' DT A 7 -7.533 3.299 5.072 1.00 0.00 O ATOM 192 C5' DT A 7 -7.083 2.343 6.015 1.00 0.00 C ATOM 193 C4' DT A 7 -5.632 2.613 6.428 1.00 0.00 C ATOM 194 O4' DT A 7 -4.803 2.393 5.296 1.00 0.00 O ATOM 195 C3' DT A 7 -5.434 4.065 6.879 1.00 0.00 C ATOM 196 O3' DT A 7 -4.852 4.074 8.172 1.00 0.00 O ATOM 197 C2' DT A 7 -4.497 4.610 5.803 1.00 0.00 C ATOM 198 C1' DT A 7 -3.775 3.362 5.306 1.00 0.00 C ATOM 199 N1 DT A 7 -3.244 3.531 3.936 1.00 0.00 N ATOM 200 C2 DT A 7 -1.875 3.393 3.706 1.00 0.00 C ATOM 201 O2 DT A 7 -1.046 3.236 4.600 1.00 0.00 O ATOM 202 N3 DT A 7 -1.472 3.441 2.382 1.00 0.00 N ATOM 203 C4 DT A 7 -2.296 3.653 1.287 1.00 0.00 C ATOM 204 O4 DT A 7 -1.811 3.660 0.158 1.00 0.00 O ATOM 205 C5 DT A 7 -3.700 3.850 1.625 1.00 0.00 C ATOM 206 C7 DT A 7 -4.723 4.101 0.541 1.00 0.00 C ATOM 207 C6 DT A 7 -4.114 3.783 2.913 1.00 0.00 C ATOM 0 H5' DT A 7 -7.163 1.343 5.589 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.725 2.367 6.896 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.381 1.952 7.257 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.344 4.659 6.967 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.047 5.103 5.002 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.800 5.343 6.209 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.915 3.110 5.926 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.478 3.308 2.195 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.249 4.615 -0.295 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.131 3.150 0.198 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.528 4.720 0.937 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.160 3.933 3.137 1.00 0.00 H new ATOM 220 P DA A 8 -4.603 5.441 9.001 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.602 5.111 10.444 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.522 6.482 8.488 1.00 0.00 O ATOM 223 O5' DA A 8 -3.102 5.845 8.575 1.00 0.00 O ATOM 224 C5' DA A 8 -1.986 5.139 9.078 1.00 0.00 C ATOM 225 C4' DA A 8 -0.688 5.675 8.472 1.00 0.00 C ATOM 226 O4' DA A 8 -0.620 5.329 7.100 1.00 0.00 O ATOM 227 C3' DA A 8 -0.543 7.201 8.574 1.00 0.00 C ATOM 228 O3' DA A 8 0.657 7.505 9.269 1.00 0.00 O ATOM 229 C2' DA A 8 -0.518 7.577 7.119 1.00 0.00 C ATOM 230 C1' DA A 8 0.099 6.373 6.483 1.00 0.00 C ATOM 231 N9 DA A 8 -0.132 6.355 5.032 1.00 0.00 N ATOM 232 C8 DA A 8 -1.313 6.559 4.384 1.00 0.00 C ATOM 233 N7 DA A 8 -1.247 6.445 3.087 1.00 0.00 N ATOM 234 C5 DA A 8 0.098 6.168 2.862 1.00 0.00 C ATOM 235 C6 DA A 8 0.848 5.906 1.697 1.00 0.00 C ATOM 236 N6 DA A 8 0.299 5.787 0.481 1.00 0.00 N ATOM 237 N1 DA A 8 2.179 5.749 1.825 1.00 0.00 N ATOM 238 C2 DA A 8 2.735 5.810 3.033 1.00 0.00 C ATOM 239 N3 DA A 8 2.137 5.996 4.204 1.00 0.00 N ATOM 240 C4 DA A 8 0.798 6.167 4.045 1.00 0.00 C ATOM 0 H5' DA A 8 -2.088 4.078 8.850 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.951 5.230 10.164 1.00 0.00 H new ATOM 0 H4' DA A 8 0.117 5.220 9.049 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.318 7.735 9.124 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.519 7.772 6.733 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.072 8.476 6.943 1.00 0.00 H new ATOM 0 H1' DA A 8 1.181 6.320 6.608 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.230 6.796 4.903 1.00 0.00 H new ATOM 0 H61 DA A 8 0.889 5.597 -0.329 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.709 5.886 0.365 1.00 0.00 H new ATOM 0 H2 DA A 8 3.808 5.693 3.065 1.00 0.00 H new ATOM 252 P DG A 9 1.122 9.019 9.601 1.00 0.00 P ATOM 253 OP1 DG A 9 1.530 9.074 11.023 1.00 0.00 O ATOM 254 OP2 DG A 9 0.101 9.962 9.093 1.00 0.00 O ATOM 255 O5' DG A 9 2.441 9.178 8.688 1.00 0.00 O ATOM 256 C5' DG A 9 3.597 8.402 8.933 1.00 0.00 C ATOM 257 C4' DG A 9 4.807 8.885 8.123 1.00 0.00 C ATOM 258 O4' DG A 9 4.565 8.670 6.743 1.00 0.00 O ATOM 259 C3' DG A 9 5.086 10.377 8.308 1.00 0.00 C ATOM 260 O3' DG A 9 6.500 10.495 8.240 1.00 0.00 O ATOM 261 C2' DG A 9 4.324 10.994 7.137 1.00 0.00 C ATOM 262 C1' DG A 9 4.441 9.911 6.066 1.00 0.00 C ATOM 263 N9 DG A 9 3.292 9.735 5.148 1.00 0.00 N ATOM 264 C8 DG A 9 1.954 9.967 5.348 1.00 0.00 C ATOM 265 N7 DG A 9 1.215 9.745 4.295 1.00 0.00 N ATOM 266 C5 DG A 9 2.123 9.335 3.323 1.00 0.00 C ATOM 267 C6 DG A 9 1.928 9.019 1.942 1.00 0.00 C ATOM 268 O6 DG A 9 0.873 8.982 1.316 1.00 0.00 O ATOM 269 N1 DG A 9 3.122 8.726 1.284 1.00 0.00 N ATOM 270 C2 DG A 9 4.359 8.691 1.896 1.00 0.00 C ATOM 271 N2 DG A 9 5.415 8.409 1.128 1.00 0.00 N ATOM 272 N3 DG A 9 4.543 8.971 3.195 1.00 0.00 N ATOM 273 C4 DG A 9 3.392 9.293 3.849 1.00 0.00 C ATOM 0 H5' DG A 9 3.391 7.360 8.687 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.837 8.437 9.996 1.00 0.00 H new ATOM 0 H4' DG A 9 5.668 8.321 8.483 1.00 0.00 H new ATOM 0 H3' DG A 9 4.775 10.861 9.234 1.00 0.00 H new ATOM 0 H2' DG A 9 3.285 11.203 7.393 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.768 11.935 6.814 1.00 0.00 H new ATOM 0 H1' DG A 9 5.284 10.224 5.450 1.00 0.00 H new ATOM 0 H8 DG A 9 1.549 10.303 6.291 1.00 0.00 H new ATOM 0 H1 DG A 9 3.079 8.524 0.285 1.00 0.00 H new ATOM 0 H21 DG A 9 6.348 8.372 1.538 1.00 0.00 H new ATOM 0 H22 DG A 9 5.288 8.230 0.132 1.00 0.00 H new ATOM 285 P DC A 10 7.306 11.886 8.086 1.00 0.00 P ATOM 286 OP1 DC A 10 8.571 11.769 8.844 1.00 0.00 O ATOM 287 OP2 DC A 10 6.390 13.018 8.354 1.00 0.00 O ATOM 288 O5' DC A 10 7.656 11.855 6.509 1.00 0.00 O ATOM 289 C5' DC A 10 8.440 10.804 5.966 1.00 0.00 C ATOM 290 C4' DC A 10 8.764 10.997 4.477 1.00 0.00 C ATOM 291 O4' DC A 10 7.571 10.676 3.798 1.00 0.00 O ATOM 292 C3' DC A 10 9.152 12.429 4.081 1.00 0.00 C ATOM 293 O3' DC A 10 10.553 12.582 3.900 1.00 0.00 O ATOM 294 C2' DC A 10 8.418 12.610 2.760 1.00 0.00 C ATOM 295 C1' DC A 10 7.494 11.423 2.604 1.00 0.00 C ATOM 296 N1 DC A 10 6.084 11.846 2.428 1.00 0.00 N ATOM 297 C2 DC A 10 5.541 11.838 1.145 1.00 0.00 C ATOM 298 O2 DC A 10 6.259 11.672 0.162 1.00 0.00 O ATOM 299 N3 DC A 10 4.194 12.018 1.003 1.00 0.00 N ATOM 300 C4 DC A 10 3.411 12.218 2.075 1.00 0.00 C ATOM 301 N4 DC A 10 2.091 12.343 1.900 1.00 0.00 N ATOM 302 C5 DC A 10 3.966 12.272 3.399 1.00 0.00 C ATOM 303 C6 DC A 10 5.297 12.101 3.521 1.00 0.00 C ATOM 0 H5' DC A 10 7.911 9.860 6.097 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.372 10.727 6.527 1.00 0.00 H new ATOM 0 H4' DC A 10 9.626 10.377 4.231 1.00 0.00 H new ATOM 0 H3' DC A 10 8.892 13.161 4.846 1.00 0.00 H new ATOM 0 H2' DC A 10 7.853 13.542 2.757 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.123 12.662 1.930 1.00 0.00 H new ATOM 0 H1' DC A 10 7.796 10.852 1.726 1.00 0.00 H new ATOM 0 H41 DC A 10 1.482 12.495 2.704 1.00 0.00 H new ATOM 0 H42 DC A 10 1.693 12.286 0.962 1.00 0.00 H new ATOM 0 H5 DC A 10 3.341 12.443 4.263 1.00 0.00 H new ATOM 0 H6 DC A 10 5.752 12.166 4.498 1.00 0.00 H new ATOM 315 P DC A 11 11.223 14.008 3.499 1.00 0.00 P ATOM 316 OP1 DC A 11 12.691 13.870 3.622 1.00 0.00 O ATOM 317 OP2 DC A 11 10.527 15.073 4.254 1.00 0.00 O ATOM 318 O5' DC A 11 10.878 14.216 1.929 1.00 0.00 O ATOM 319 C5' DC A 11 11.529 13.466 0.919 1.00 0.00 C ATOM 320 C4' DC A 11 10.905 13.708 -0.464 1.00 0.00 C ATOM 321 O4' DC A 11 9.556 13.302 -0.477 1.00 0.00 O ATOM 322 C3' DC A 11 10.964 15.148 -0.968 1.00 0.00 C ATOM 323 O3' DC A 11 12.173 15.396 -1.654 1.00 0.00 O ATOM 324 C2' DC A 11 9.774 15.175 -1.927 1.00 0.00 C ATOM 325 C1' DC A 11 8.871 14.006 -1.501 1.00 0.00 C ATOM 326 N1 DC A 11 7.615 14.481 -0.863 1.00 0.00 N ATOM 327 C2 DC A 11 6.392 14.341 -1.526 1.00 0.00 C ATOM 328 O2 DC A 11 6.333 13.916 -2.678 1.00 0.00 O ATOM 329 N3 DC A 11 5.253 14.690 -0.859 1.00 0.00 N ATOM 330 C4 DC A 11 5.299 15.174 0.393 1.00 0.00 C ATOM 331 N4 DC A 11 4.153 15.463 1.017 1.00 0.00 N ATOM 332 C5 DC A 11 6.549 15.367 1.072 1.00 0.00 C ATOM 333 C6 DC A 11 7.667 15.006 0.401 1.00 0.00 C ATOM 0 H5' DC A 11 11.474 12.405 1.162 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.586 13.732 0.893 1.00 0.00 H new ATOM 0 H4' DC A 11 11.520 13.111 -1.137 1.00 0.00 H new ATOM 0 H3' DC A 11 10.925 15.901 -0.181 1.00 0.00 H new ATOM 0 H2' DC A 11 9.242 16.124 -1.864 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.101 15.061 -2.960 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.186 16.324 -1.968 1.00 0.00 H new ATOM 0 H1' DC A 11 8.642 13.414 -2.387 1.00 0.00 H new ATOM 0 H41 DC A 11 4.169 15.831 1.968 1.00 0.00 H new ATOM 0 H42 DC A 11 3.262 15.315 0.542 1.00 0.00 H new ATOM 0 H5 DC A 11 6.595 15.780 2.069 1.00 0.00 H new ATOM 0 H6 DC A 11 8.628 15.136 0.876 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -4.982 14.929 -5.096 1.00 0.00 O ATOM 348 C5' DG B 12 -4.507 15.514 -6.292 1.00 0.00 C ATOM 349 C4' DG B 12 -3.118 14.977 -6.657 1.00 0.00 C ATOM 350 O4' DG B 12 -2.261 15.251 -5.564 1.00 0.00 O ATOM 351 C3' DG B 12 -3.114 13.458 -6.887 1.00 0.00 C ATOM 352 O3' DG B 12 -2.578 13.195 -8.173 1.00 0.00 O ATOM 353 C2' DG B 12 -2.217 12.950 -5.759 1.00 0.00 C ATOM 354 C1' DG B 12 -1.368 14.166 -5.436 1.00 0.00 C ATOM 355 N9 DG B 12 -0.873 14.160 -4.041 1.00 0.00 N ATOM 356 C8 DG B 12 -1.607 14.210 -2.883 1.00 0.00 C ATOM 357 N7 DG B 12 -0.892 14.273 -1.797 1.00 0.00 N ATOM 358 C5 DG B 12 0.417 14.258 -2.262 1.00 0.00 C ATOM 359 C6 DG B 12 1.644 14.310 -1.536 1.00 0.00 C ATOM 360 O6 DG B 12 1.799 14.385 -0.320 1.00 0.00 O ATOM 361 N1 DG B 12 2.757 14.266 -2.369 1.00 0.00 N ATOM 362 C2 DG B 12 2.699 14.159 -3.746 1.00 0.00 C ATOM 363 N2 DG B 12 3.865 14.077 -4.396 1.00 0.00 N ATOM 364 N3 DG B 12 1.545 14.111 -4.433 1.00 0.00 N ATOM 365 C4 DG B 12 0.442 14.168 -3.635 1.00 0.00 C ATOM 0 H5' DG B 12 -4.463 16.597 -6.178 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.205 15.307 -7.103 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.798 15.456 -7.582 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.093 12.979 -6.868 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.797 12.621 -4.897 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.608 12.103 -6.076 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.232 14.787 -4.481 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.494 14.203 -6.087 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.687 14.198 -2.873 1.00 0.00 H new ATOM 0 H1 DG B 12 3.678 14.316 -1.934 1.00 0.00 H new ATOM 0 H21 DG B 12 3.878 13.997 -5.413 1.00 0.00 H new ATOM 0 H22 DG B 12 4.742 14.095 -3.875 1.00 0.00 H new ATOM 378 P DG B 13 -2.491 11.702 -8.790 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.509 11.815 -10.265 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.491 10.852 -8.106 1.00 0.00 O ATOM 381 O5' DG B 13 -1.023 11.209 -8.341 1.00 0.00 O ATOM 382 C5' DG B 13 0.143 11.823 -8.854 1.00 0.00 C ATOM 383 C4' DG B 13 1.414 11.174 -8.295 1.00 0.00 C ATOM 384 O4' DG B 13 1.462 11.408 -6.897 1.00 0.00 O ATOM 385 C3' DG B 13 1.444 9.657 -8.506 1.00 0.00 C ATOM 386 O3' DG B 13 2.807 9.343 -8.746 1.00 0.00 O ATOM 387 C2' DG B 13 0.943 9.137 -7.157 1.00 0.00 C ATOM 388 C1' DG B 13 1.544 10.166 -6.218 1.00 0.00 C ATOM 389 N9 DG B 13 0.928 10.364 -4.887 1.00 0.00 N ATOM 390 C8 DG B 13 -0.377 10.269 -4.475 1.00 0.00 C ATOM 391 N7 DG B 13 -0.554 10.537 -3.209 1.00 0.00 N ATOM 392 C5 DG B 13 0.726 10.820 -2.740 1.00 0.00 C ATOM 393 C6 DG B 13 1.190 11.138 -1.425 1.00 0.00 C ATOM 394 O6 DG B 13 0.528 11.311 -0.405 1.00 0.00 O ATOM 395 N1 DG B 13 2.578 11.255 -1.363 1.00 0.00 N ATOM 396 C2 DG B 13 3.418 11.140 -2.454 1.00 0.00 C ATOM 397 N2 DG B 13 4.725 11.312 -2.251 1.00 0.00 N ATOM 398 N3 DG B 13 2.982 10.884 -3.693 1.00 0.00 N ATOM 399 C4 DG B 13 1.633 10.723 -3.766 1.00 0.00 C ATOM 0 H5' DG B 13 0.136 12.884 -8.605 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.145 11.751 -9.942 1.00 0.00 H new ATOM 0 H4' DG B 13 2.261 11.613 -8.823 1.00 0.00 H new ATOM 0 H3' DG B 13 0.854 9.244 -9.324 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.145 9.112 -7.102 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.296 8.128 -6.946 1.00 0.00 H new ATOM 0 H1' DG B 13 2.540 9.786 -5.991 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.185 9.997 -5.138 1.00 0.00 H new ATOM 0 H1 DG B 13 3.001 11.437 -0.453 1.00 0.00 H new ATOM 0 H21 DG B 13 5.377 11.235 -3.032 1.00 0.00 H new ATOM 0 H22 DG B 13 5.073 11.521 -1.315 1.00 0.00 H new ATOM 411 P DC B 14 3.360 7.858 -9.059 1.00 0.00 P ATOM 412 OP1 DC B 14 4.051 7.886 -10.366 1.00 0.00 O ATOM 413 OP2 DC B 14 2.290 6.866 -8.810 1.00 0.00 O ATOM 414 O5' DC B 14 4.469 7.717 -7.895 1.00 0.00 O ATOM 415 C5' DC B 14 5.620 8.543 -7.889 1.00 0.00 C ATOM 416 C4' DC B 14 6.490 8.293 -6.652 1.00 0.00 C ATOM 417 O4' DC B 14 5.732 8.657 -5.509 1.00 0.00 O ATOM 418 C3' DC B 14 6.879 6.817 -6.512 1.00 0.00 C ATOM 419 O3' DC B 14 8.254 6.767 -6.172 1.00 0.00 O ATOM 420 C2' DC B 14 5.963 6.353 -5.379 1.00 0.00 C ATOM 421 C1' DC B 14 5.847 7.627 -4.544 1.00 0.00 C ATOM 422 N1 DC B 14 4.611 7.671 -3.711 1.00 0.00 N ATOM 423 C2 DC B 14 4.718 7.847 -2.326 1.00 0.00 C ATOM 424 O2 DC B 14 5.811 7.927 -1.771 1.00 0.00 O ATOM 425 N3 DC B 14 3.575 7.931 -1.581 1.00 0.00 N ATOM 426 C4 DC B 14 2.369 7.851 -2.161 1.00 0.00 C ATOM 427 N4 DC B 14 1.271 7.950 -1.406 1.00 0.00 N ATOM 428 C5 DC B 14 2.236 7.711 -3.580 1.00 0.00 C ATOM 429 C6 DC B 14 3.371 7.634 -4.308 1.00 0.00 C ATOM 0 H5' DC B 14 5.317 9.590 -7.915 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.206 8.358 -8.789 1.00 0.00 H new ATOM 0 H4' DC B 14 7.404 8.879 -6.749 1.00 0.00 H new ATOM 0 H3' DC B 14 6.762 6.195 -7.399 1.00 0.00 H new ATOM 0 H2' DC B 14 4.995 6.013 -5.747 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.396 5.529 -4.812 1.00 0.00 H new ATOM 0 H1' DC B 14 6.695 7.705 -3.864 1.00 0.00 H new ATOM 0 H41 DC B 14 0.349 7.891 -1.837 1.00 0.00 H new ATOM 0 H42 DC B 14 1.355 8.085 -0.399 1.00 0.00 H new ATOM 0 H5 DC B 14 1.265 7.669 -4.050 1.00 0.00 H new ATOM 0 H6 DC B 14 3.304 7.541 -5.382 1.00 0.00 H new ATOM 441 P DT B 15 9.059 5.379 -5.996 1.00 0.00 P ATOM 442 OP1 DT B 15 10.501 5.657 -6.178 1.00 0.00 O ATOM 443 OP2 DT B 15 8.400 4.342 -6.821 1.00 0.00 O ATOM 444 O5' DT B 15 8.802 5.030 -4.446 1.00 0.00 O ATOM 445 C5' DT B 15 9.381 5.801 -3.412 1.00 0.00 C ATOM 446 C4' DT B 15 8.944 5.280 -2.039 1.00 0.00 C ATOM 447 O4' DT B 15 7.574 5.558 -1.901 1.00 0.00 O ATOM 448 C3' DT B 15 9.093 3.763 -1.859 1.00 0.00 C ATOM 449 O3' DT B 15 10.240 3.526 -1.053 1.00 0.00 O ATOM 450 C2' DT B 15 7.777 3.340 -1.212 1.00 0.00 C ATOM 451 C1' DT B 15 7.066 4.658 -0.945 1.00 0.00 C ATOM 452 N1 DT B 15 5.621 4.569 -1.233 1.00 0.00 N ATOM 453 C2 DT B 15 4.722 5.001 -0.269 1.00 0.00 C ATOM 454 O2 DT B 15 5.062 5.368 0.852 1.00 0.00 O ATOM 455 N3 DT B 15 3.391 4.997 -0.643 1.00 0.00 N ATOM 456 C4 DT B 15 2.884 4.603 -1.869 1.00 0.00 C ATOM 457 O4 DT B 15 1.672 4.664 -2.067 1.00 0.00 O ATOM 458 C5 DT B 15 3.890 4.146 -2.815 1.00 0.00 C ATOM 459 C7 DT B 15 3.461 3.687 -4.194 1.00 0.00 C ATOM 460 C6 DT B 15 5.204 4.140 -2.469 1.00 0.00 C ATOM 0 H5' DT B 15 9.086 6.845 -3.521 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.468 5.767 -3.491 1.00 0.00 H new ATOM 0 H4' DT B 15 9.585 5.767 -1.304 1.00 0.00 H new ATOM 0 H3' DT B 15 9.253 3.193 -2.774 1.00 0.00 H new ATOM 0 H2' DT B 15 7.195 2.698 -1.872 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.945 2.782 -0.291 1.00 0.00 H new ATOM 0 H1' DT B 15 7.215 4.943 0.096 1.00 0.00 H new ATOM 0 H3 DT B 15 2.717 5.316 0.053 1.00 0.00 H new ATOM 0 H71 DT B 15 4.259 3.888 -4.909 1.00 0.00 H new ATOM 0 H72 DT B 15 3.253 2.617 -4.173 1.00 0.00 H new ATOM 0 H73 DT B 15 2.562 4.226 -4.493 1.00 0.00 H new ATOM 0 H6 DT B 15 5.936 3.790 -3.182 1.00 0.00 H new ATOM 473 P DA B 16 10.705 2.054 -0.573 1.00 0.00 P ATOM 474 OP1 DA B 16 12.105 2.146 -0.103 1.00 0.00 O ATOM 475 OP2 DA B 16 10.348 1.085 -1.632 1.00 0.00 O ATOM 476 O5' DA B 16 9.766 1.766 0.709 1.00 0.00 O ATOM 477 C5' DA B 16 9.917 2.466 1.934 1.00 0.00 C ATOM 478 C4' DA B 16 8.740 2.185 2.887 1.00 0.00 C ATOM 479 O4' DA B 16 7.548 2.654 2.302 1.00 0.00 O ATOM 480 C3' DA B 16 8.472 0.716 3.158 1.00 0.00 C ATOM 481 O3' DA B 16 9.029 0.266 4.385 1.00 0.00 O ATOM 482 C2' DA B 16 7.005 0.456 2.934 1.00 0.00 C ATOM 483 C1' DA B 16 6.526 1.869 2.877 1.00 0.00 C ATOM 484 N9 DA B 16 5.326 1.971 2.043 1.00 0.00 N ATOM 485 C8 DA B 16 5.297 1.661 0.724 1.00 0.00 C ATOM 486 N7 DA B 16 4.140 1.850 0.149 1.00 0.00 N ATOM 487 C5 DA B 16 3.324 2.253 1.207 1.00 0.00 C ATOM 488 C6 DA B 16 1.952 2.578 1.300 1.00 0.00 C ATOM 489 N6 DA B 16 1.153 2.699 0.232 1.00 0.00 N ATOM 490 N1 DA B 16 1.422 2.774 2.523 1.00 0.00 N ATOM 491 C2 DA B 16 2.216 2.701 3.592 1.00 0.00 C ATOM 492 N3 DA B 16 3.526 2.471 3.634 1.00 0.00 N ATOM 493 C4 DA B 16 4.028 2.252 2.389 1.00 0.00 C ATOM 0 H5' DA B 16 9.982 3.536 1.738 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.852 2.172 2.411 1.00 0.00 H new ATOM 0 H4' DA B 16 9.022 2.677 3.818 1.00 0.00 H new ATOM 0 H3' DA B 16 9.007 0.084 2.449 1.00 0.00 H new ATOM 0 H2' DA B 16 6.810 -0.093 2.013 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.549 -0.111 3.745 1.00 0.00 H new ATOM 0 H1' DA B 16 6.284 2.212 3.883 1.00 0.00 H new ATOM 0 H8 DA B 16 6.160 1.288 0.192 1.00 0.00 H new ATOM 0 H61 DA B 16 0.169 2.936 0.356 1.00 0.00 H new ATOM 0 H62 DA B 16 1.529 2.555 -0.705 1.00 0.00 H new ATOM 0 H2 DA B 16 1.733 2.847 4.547 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.327 -0.973 4.131 1.00 0.00 N HETATM 506 C2 T41 B 17 2.022 -0.569 3.854 1.00 0.00 C HETATM 507 N3 T41 B 17 1.658 -0.556 2.516 1.00 0.00 N HETATM 508 C4 T41 B 17 2.458 -0.907 1.441 1.00 0.00 C HETATM 509 C5 T41 B 17 3.787 -1.338 1.818 1.00 0.00 C HETATM 510 C5M T41 B 17 4.768 -1.799 0.768 1.00 0.00 C HETATM 511 C6 T41 B 17 4.165 -1.352 3.114 1.00 0.00 C HETATM 512 O2 T41 B 17 1.216 -0.236 4.719 1.00 0.00 O HETATM 513 O4 T41 B 17 2.022 -0.836 0.295 1.00 0.00 O HETATM 514 C1' T41 B 17 3.791 -0.948 5.544 1.00 0.00 C HETATM 515 C2' T41 B 17 4.262 -2.233 6.149 1.00 0.00 C HETATM 516 O2' T41 B 17 5.127 -2.946 5.317 1.00 0.00 O HETATM 517 C3' T41 B 17 5.048 -1.766 7.366 1.00 0.00 C HETATM 518 C4' T41 B 17 5.544 -0.384 6.916 1.00 0.00 C HETATM 519 O3' T41 B 17 4.241 -1.574 8.519 1.00 0.00 O HETATM 520 O4' T41 B 17 4.845 -0.027 5.730 1.00 0.00 O HETATM 521 C5' T41 B 17 7.045 -0.339 6.604 1.00 0.00 C HETATM 522 O5' T41 B 17 7.405 -1.267 5.598 1.00 0.00 O HETATM 523 C6' T41 B 17 4.722 -4.272 5.375 1.00 0.00 C HETATM 524 P T41 B 17 8.876 -1.253 4.928 1.00 0.00 P HETATM 525 O1P T41 B 17 9.869 -1.455 6.006 1.00 0.00 O HETATM 526 O2P T41 B 17 8.858 -2.167 3.764 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.357 -2.659 0.239 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.950 -0.991 0.060 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.706 -2.081 1.246 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.319 0.666 6.285 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.611 -0.550 7.512 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.425 -2.900 6.354 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.175 -1.677 3.361 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.362 0.304 7.742 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.809 -2.494 7.647 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.706 -0.258 2.302 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.788 -4.628 6.403 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.692 -4.353 5.028 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.368 -4.878 4.739 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.868 -0.673 6.054 1.00 0.00 H new ATOM 541 P DA B 18 3.577 -2.791 9.349 1.00 0.00 P ATOM 542 OP1 DA B 18 3.519 -2.393 10.773 1.00 0.00 O ATOM 543 OP2 DA B 18 4.255 -4.050 8.969 1.00 0.00 O ATOM 544 O5' DA B 18 2.067 -2.844 8.779 1.00 0.00 O ATOM 545 C5' DA B 18 1.085 -1.899 9.175 1.00 0.00 C ATOM 546 C4' DA B 18 -0.264 -2.268 8.550 1.00 0.00 C ATOM 547 O4' DA B 18 -0.131 -2.159 7.154 1.00 0.00 O ATOM 548 C3' DA B 18 -0.682 -3.708 8.877 1.00 0.00 C ATOM 549 O3' DA B 18 -1.906 -3.657 9.592 1.00 0.00 O ATOM 550 C2' DA B 18 -0.807 -4.322 7.484 1.00 0.00 C ATOM 551 C1' DA B 18 -0.999 -3.116 6.601 1.00 0.00 C ATOM 552 N9 DA B 18 -0.541 -3.314 5.210 1.00 0.00 N ATOM 553 C8 DA B 18 0.739 -3.603 4.808 1.00 0.00 C ATOM 554 N7 DA B 18 0.918 -3.586 3.519 1.00 0.00 N ATOM 555 C5 DA B 18 -0.337 -3.253 3.028 1.00 0.00 C ATOM 556 C6 DA B 18 -0.813 -3.026 1.725 1.00 0.00 C ATOM 557 N6 DA B 18 -0.045 -3.060 0.631 1.00 0.00 N ATOM 558 N1 DA B 18 -2.100 -2.690 1.577 1.00 0.00 N ATOM 559 C2 DA B 18 -2.900 -2.579 2.629 1.00 0.00 C ATOM 560 N3 DA B 18 -2.569 -2.759 3.911 1.00 0.00 N ATOM 561 C4 DA B 18 -1.250 -3.099 4.047 1.00 0.00 C ATOM 0 H5' DA B 18 1.381 -0.898 8.861 1.00 0.00 H new ATOM 0 H5'' DA B 18 1.001 -1.880 10.262 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.024 -1.598 8.952 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.003 -4.286 9.504 1.00 0.00 H new ATOM 0 H2' DA B 18 0.084 -4.886 7.210 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.651 -5.009 7.419 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.058 -2.862 6.563 1.00 0.00 H new ATOM 0 H8 DA B 18 1.533 -3.826 5.505 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.456 -2.886 -0.286 1.00 0.00 H new ATOM 0 H62 DA B 18 0.952 -3.260 0.714 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.928 -2.315 2.428 1.00 0.00 H new ATOM 573 P DT B 19 -2.741 -4.978 10.002 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.540 -4.666 11.208 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.825 -6.141 10.005 1.00 0.00 O ATOM 576 O5' DT B 19 -3.750 -5.130 8.753 1.00 0.00 O ATOM 577 C5' DT B 19 -4.708 -4.129 8.463 1.00 0.00 C ATOM 578 C4' DT B 19 -5.531 -4.503 7.227 1.00 0.00 C ATOM 579 O4' DT B 19 -4.660 -4.440 6.110 1.00 0.00 O ATOM 580 C3' DT B 19 -6.095 -5.932 7.308 1.00 0.00 C ATOM 581 O3' DT B 19 -7.487 -5.895 7.035 1.00 0.00 O ATOM 582 C2' DT B 19 -5.313 -6.663 6.217 1.00 0.00 C ATOM 583 C1' DT B 19 -4.965 -5.535 5.275 1.00 0.00 C ATOM 584 N1 DT B 19 -3.850 -5.799 4.344 1.00 0.00 N ATOM 585 C2 DT B 19 -4.011 -5.670 2.968 1.00 0.00 C ATOM 586 O2 DT B 19 -5.074 -5.366 2.432 1.00 0.00 O ATOM 587 N3 DT B 19 -2.874 -5.910 2.209 1.00 0.00 N ATOM 588 C4 DT B 19 -1.624 -6.273 2.693 1.00 0.00 C ATOM 589 O4 DT B 19 -0.688 -6.436 1.914 1.00 0.00 O ATOM 590 C5 DT B 19 -1.565 -6.423 4.136 1.00 0.00 C ATOM 591 C7 DT B 19 -0.278 -6.883 4.792 1.00 0.00 C ATOM 592 C6 DT B 19 -2.667 -6.170 4.885 1.00 0.00 C ATOM 0 H5' DT B 19 -4.205 -3.176 8.296 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.370 -3.994 9.319 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.374 -3.816 7.150 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.991 -6.415 8.280 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.424 -7.155 6.612 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.913 -7.432 5.730 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.810 -5.365 4.608 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.965 -5.810 1.198 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.207 -6.456 5.793 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.273 -7.971 4.860 1.00 0.00 H new ATOM 0 H73 DT B 19 0.573 -6.553 4.196 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.597 -6.269 5.958 1.00 0.00 H new ATOM 605 P DG B 20 -8.410 -7.225 7.051 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.769 -6.835 7.491 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.686 -8.295 7.771 1.00 0.00 O ATOM 608 O5' DG B 20 -8.483 -7.636 5.490 1.00 0.00 O ATOM 609 C5' DG B 20 -9.216 -6.859 4.561 1.00 0.00 C ATOM 610 C4' DG B 20 -9.259 -7.519 3.177 1.00 0.00 C ATOM 611 O4' DG B 20 -7.969 -7.457 2.592 1.00 0.00 O ATOM 612 C3' DG B 20 -9.653 -9.001 3.241 1.00 0.00 C ATOM 613 O3' DG B 20 -10.579 -9.199 2.184 1.00 0.00 O ATOM 614 C2' DG B 20 -8.306 -9.696 3.037 1.00 0.00 C ATOM 615 C1' DG B 20 -7.663 -8.731 2.056 1.00 0.00 C ATOM 616 N9 DG B 20 -6.193 -8.808 1.955 1.00 0.00 N ATOM 617 C8 DG B 20 -5.287 -8.995 2.957 1.00 0.00 C ATOM 618 N7 DG B 20 -4.042 -8.961 2.571 1.00 0.00 N ATOM 619 C5 DG B 20 -4.129 -8.753 1.197 1.00 0.00 C ATOM 620 C6 DG B 20 -3.102 -8.679 0.208 1.00 0.00 C ATOM 621 O6 DG B 20 -1.887 -8.675 0.382 1.00 0.00 O ATOM 622 N1 DG B 20 -3.610 -8.605 -1.088 1.00 0.00 N ATOM 623 C2 DG B 20 -4.958 -8.562 -1.393 1.00 0.00 C ATOM 624 N2 DG B 20 -5.299 -8.514 -2.684 1.00 0.00 N ATOM 625 N3 DG B 20 -5.923 -8.577 -0.462 1.00 0.00 N ATOM 626 C4 DG B 20 -5.446 -8.682 0.808 1.00 0.00 C ATOM 0 H5' DG B 20 -8.765 -5.870 4.478 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.232 -6.717 4.928 1.00 0.00 H new ATOM 0 H4' DG B 20 -10.006 -6.980 2.594 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.132 -9.368 4.149 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.739 -9.789 3.964 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.412 -10.700 2.626 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.036 -8.953 1.056 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.577 -9.158 3.985 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.945 -8.581 -1.861 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.283 -8.481 -2.951 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.575 -8.510 -3.403 1.00 0.00 H new ATOM 638 P DC B 21 -11.157 -10.639 1.737 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.598 -10.485 1.437 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.711 -11.671 2.699 1.00 0.00 O ATOM 641 O5' DC B 21 -10.371 -10.857 0.344 1.00 0.00 O ATOM 642 C5' DC B 21 -10.531 -9.939 -0.725 1.00 0.00 C ATOM 643 C4' DC B 21 -9.827 -10.409 -2.004 1.00 0.00 C ATOM 644 O4' DC B 21 -8.432 -10.332 -1.766 1.00 0.00 O ATOM 645 C3' DC B 21 -10.168 -11.863 -2.358 1.00 0.00 C ATOM 646 O3' DC B 21 -10.349 -11.950 -3.762 1.00 0.00 O ATOM 647 C2' DC B 21 -8.921 -12.600 -1.877 1.00 0.00 C ATOM 648 C1' DC B 21 -7.838 -11.558 -2.146 1.00 0.00 C ATOM 649 N1 DC B 21 -6.644 -11.737 -1.277 1.00 0.00 N ATOM 650 C2 DC B 21 -5.372 -11.778 -1.852 1.00 0.00 C ATOM 651 O2 DC B 21 -5.217 -11.749 -3.071 1.00 0.00 O ATOM 652 N3 DC B 21 -4.286 -11.852 -1.029 1.00 0.00 N ATOM 653 C4 DC B 21 -4.428 -11.891 0.304 1.00 0.00 C ATOM 654 N4 DC B 21 -3.333 -11.937 1.067 1.00 0.00 N ATOM 655 C5 DC B 21 -5.724 -11.816 0.915 1.00 0.00 C ATOM 656 C6 DC B 21 -6.790 -11.740 0.088 1.00 0.00 C ATOM 0 H5' DC B 21 -10.134 -8.968 -0.430 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.593 -9.801 -0.927 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.152 -9.779 -2.832 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.079 -12.266 -1.914 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.982 -12.867 -0.822 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.750 -13.524 -2.430 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.509 -11.623 -3.183 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.420 -11.967 2.083 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.410 -11.942 0.634 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.842 -11.820 1.988 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.782 -11.680 0.512 1.00 0.00 H new ATOM 668 P DG B 22 -10.713 -13.337 -4.510 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.509 -13.016 -5.716 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.243 -14.292 -3.512 1.00 0.00 O ATOM 671 O5' DG B 22 -9.265 -13.862 -4.988 1.00 0.00 O ATOM 672 C5' DG B 22 -8.572 -13.227 -6.047 1.00 0.00 C ATOM 673 C4' DG B 22 -7.214 -13.895 -6.283 1.00 0.00 C ATOM 674 O4' DG B 22 -6.433 -13.719 -5.115 1.00 0.00 O ATOM 675 C3' DG B 22 -7.328 -15.408 -6.523 1.00 0.00 C ATOM 676 O3' DG B 22 -6.715 -15.756 -7.748 1.00 0.00 O ATOM 677 C2' DG B 22 -6.548 -16.009 -5.361 1.00 0.00 C ATOM 678 C1' DG B 22 -5.622 -14.866 -4.992 1.00 0.00 C ATOM 679 N9 DG B 22 -5.092 -14.931 -3.612 1.00 0.00 N ATOM 680 C8 DG B 22 -5.769 -15.058 -2.425 1.00 0.00 C ATOM 681 N7 DG B 22 -5.009 -15.007 -1.368 1.00 0.00 N ATOM 682 C5 DG B 22 -3.728 -14.837 -1.885 1.00 0.00 C ATOM 683 C6 DG B 22 -2.475 -14.681 -1.217 1.00 0.00 C ATOM 684 O6 DG B 22 -2.260 -14.649 -0.008 1.00 0.00 O ATOM 685 N1 DG B 22 -1.410 -14.553 -2.105 1.00 0.00 N ATOM 686 C2 DG B 22 -1.536 -14.570 -3.482 1.00 0.00 C ATOM 687 N2 DG B 22 -0.420 -14.428 -4.204 1.00 0.00 N ATOM 688 N3 DG B 22 -2.715 -14.685 -4.111 1.00 0.00 N ATOM 689 C4 DG B 22 -3.769 -14.811 -3.259 1.00 0.00 C ATOM 0 H5' DG B 22 -8.428 -12.172 -5.813 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.169 -13.273 -6.958 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.773 -13.438 -7.169 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.360 -15.756 -6.576 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.199 -16.293 -4.534 1.00 0.00 H new ATOM 0 H2'' DG B 22 -5.998 -16.903 -5.655 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.792 -16.723 -7.889 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.741 -14.883 -5.633 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.840 -15.189 -2.372 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.475 -14.439 -1.714 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.467 -14.435 -5.223 1.00 0.00 H new ATOM 0 H22 DG B 22 0.479 -14.313 -3.736 1.00 0.00 H new TER 702 DG B 22