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= -1.31 (180deg=-1.31) USER MOD Single : A 7 DT C7 :methyl -30:sc= -0.63 (180deg=-1.05) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 36:sc= 0.0317 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.34 (180deg=-0.34) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 7.629 -14.006 0.264 1.00 0.00 O ATOM 2 C5' DC A 1 7.951 -14.947 -0.739 1.00 0.00 C ATOM 3 C4' DC A 1 7.048 -14.788 -1.969 1.00 0.00 C ATOM 4 O4' DC A 1 5.713 -14.993 -1.537 1.00 0.00 O ATOM 5 C3' DC A 1 7.128 -13.380 -2.578 1.00 0.00 C ATOM 6 O3' DC A 1 7.213 -13.502 -3.988 1.00 0.00 O ATOM 7 C2' DC A 1 5.806 -12.759 -2.133 1.00 0.00 C ATOM 8 C1' DC A 1 4.904 -13.990 -2.119 1.00 0.00 C ATOM 9 N1 DC A 1 3.694 -13.814 -1.268 1.00 0.00 N ATOM 10 C2 DC A 1 2.432 -13.854 -1.867 1.00 0.00 C ATOM 11 O2 DC A 1 2.307 -13.967 -3.084 1.00 0.00 O ATOM 12 N3 DC A 1 1.327 -13.764 -1.071 1.00 0.00 N ATOM 13 C4 DC A 1 1.439 -13.598 0.255 1.00 0.00 C ATOM 14 N4 DC A 1 0.327 -13.516 0.991 1.00 0.00 N ATOM 15 C5 DC A 1 2.725 -13.532 0.891 1.00 0.00 C ATOM 16 C6 DC A 1 3.812 -13.648 0.092 1.00 0.00 C ATOM 0 H5' DC A 1 7.849 -15.956 -0.339 1.00 0.00 H new ATOM 0 H5'' DC A 1 8.993 -14.825 -1.033 1.00 0.00 H new ATOM 0 H4' DC A 1 7.369 -15.502 -2.727 1.00 0.00 H new ATOM 0 H3' DC A 1 7.987 -12.783 -2.271 1.00 0.00 H new ATOM 0 H2' DC A 1 5.879 -12.289 -1.152 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.453 -11.996 -2.827 1.00 0.00 H new ATOM 0 HO5' DC A 1 8.220 -14.134 1.035 1.00 0.00 H new ATOM 0 H1' DC A 1 4.542 -14.212 -3.123 1.00 0.00 H new ATOM 0 H41 DC A 1 0.392 -13.390 2.001 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.587 -13.580 0.543 1.00 0.00 H new ATOM 0 H5 DC A 1 2.821 -13.396 1.958 1.00 0.00 H new ATOM 0 H6 DC A 1 4.797 -13.609 0.534 1.00 0.00 H new ATOM 29 P DG A 2 7.427 -12.223 -4.954 1.00 0.00 P ATOM 30 OP1 DG A 2 8.201 -12.666 -6.134 1.00 0.00 O ATOM 31 OP2 DG A 2 7.926 -11.097 -4.133 1.00 0.00 O ATOM 32 O5' DG A 2 5.929 -11.861 -5.434 1.00 0.00 O ATOM 33 C5' DG A 2 5.264 -12.623 -6.425 1.00 0.00 C ATOM 34 C4' DG A 2 3.924 -11.980 -6.801 1.00 0.00 C ATOM 35 O4' DG A 2 3.043 -12.102 -5.696 1.00 0.00 O ATOM 36 C3' DG A 2 4.066 -10.483 -7.123 1.00 0.00 C ATOM 37 O3' DG A 2 3.277 -10.242 -8.277 1.00 0.00 O ATOM 38 C2' DG A 2 3.494 -9.860 -5.850 1.00 0.00 C ATOM 39 C1' DG A 2 2.419 -10.849 -5.516 1.00 0.00 C ATOM 40 N9 DG A 2 1.863 -10.776 -4.152 1.00 0.00 N ATOM 41 C8 DG A 2 2.506 -10.514 -2.973 1.00 0.00 C ATOM 42 N7 DG A 2 1.753 -10.635 -1.916 1.00 0.00 N ATOM 43 C5 DG A 2 0.505 -10.968 -2.435 1.00 0.00 C ATOM 44 C6 DG A 2 -0.739 -11.198 -1.773 1.00 0.00 C ATOM 45 O6 DG A 2 -0.951 -11.263 -0.566 1.00 0.00 O ATOM 46 N1 DG A 2 -1.798 -11.358 -2.664 1.00 0.00 N ATOM 47 C2 DG A 2 -1.666 -11.347 -4.041 1.00 0.00 C ATOM 48 N2 DG A 2 -2.776 -11.504 -4.768 1.00 0.00 N ATOM 49 N3 DG A 2 -0.488 -11.190 -4.665 1.00 0.00 N ATOM 50 C4 DG A 2 0.552 -11.000 -3.808 1.00 0.00 C ATOM 0 H5' DG A 2 5.096 -13.636 -6.059 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.894 -12.705 -7.311 1.00 0.00 H new ATOM 0 H4' DG A 2 3.548 -12.490 -7.688 1.00 0.00 H new ATOM 0 H3' DG A 2 5.061 -10.098 -7.346 1.00 0.00 H new ATOM 0 H2' DG A 2 4.239 -9.776 -5.059 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.097 -8.859 -6.021 1.00 0.00 H new ATOM 0 H1' DG A 2 1.555 -10.652 -6.150 1.00 0.00 H new ATOM 0 H8 DG A 2 3.547 -10.231 -2.923 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.732 -11.492 -2.276 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.723 -11.502 -5.787 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.676 -11.626 -4.304 1.00 0.00 H new ATOM 62 P DC A 3 3.018 -8.776 -8.903 1.00 0.00 P ATOM 63 OP1 DC A 3 3.227 -8.856 -10.366 1.00 0.00 O ATOM 64 OP2 DC A 3 3.754 -7.765 -8.110 1.00 0.00 O ATOM 65 O5' DC A 3 1.438 -8.591 -8.626 1.00 0.00 O ATOM 66 C5' DC A 3 0.489 -9.452 -9.232 1.00 0.00 C ATOM 67 C4' DC A 3 -0.952 -9.016 -8.944 1.00 0.00 C ATOM 68 O4' DC A 3 -1.183 -9.141 -7.550 1.00 0.00 O ATOM 69 C3' DC A 3 -1.195 -7.554 -9.331 1.00 0.00 C ATOM 70 O3' DC A 3 -2.485 -7.484 -9.918 1.00 0.00 O ATOM 71 C2' DC A 3 -1.119 -6.848 -7.978 1.00 0.00 C ATOM 72 C1' DC A 3 -1.694 -7.917 -7.047 1.00 0.00 C ATOM 73 N1 DC A 3 -1.228 -7.848 -5.633 1.00 0.00 N ATOM 74 C2 DC A 3 -2.137 -8.120 -4.605 1.00 0.00 C ATOM 75 O2 DC A 3 -3.321 -8.346 -4.843 1.00 0.00 O ATOM 76 N3 DC A 3 -1.687 -8.131 -3.316 1.00 0.00 N ATOM 77 C4 DC A 3 -0.396 -7.900 -3.035 1.00 0.00 C ATOM 78 N4 DC A 3 0.001 -7.917 -1.759 1.00 0.00 N ATOM 79 C5 DC A 3 0.567 -7.690 -4.076 1.00 0.00 C ATOM 80 C6 DC A 3 0.105 -7.674 -5.348 1.00 0.00 C ATOM 0 H5' DC A 3 0.639 -10.469 -8.869 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.653 -9.471 -10.309 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.621 -9.645 -9.531 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.501 -7.115 -10.048 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.097 -6.579 -7.712 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.706 -5.929 -7.960 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.777 -7.795 -7.032 1.00 0.00 H new ATOM 0 H41 DC A 3 0.979 -7.743 -1.527 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.674 -8.104 -1.017 1.00 0.00 H new ATOM 0 H5 DC A 3 1.615 -7.551 -3.855 1.00 0.00 H new ATOM 0 H6 DC A 3 0.801 -7.521 -6.159 1.00 0.00 H new ATOM 92 P DA A 4 -3.145 -6.099 -10.426 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.102 -6.413 -11.510 1.00 0.00 O ATOM 94 OP2 DA A 4 -2.063 -5.117 -10.661 1.00 0.00 O ATOM 95 O5' DA A 4 -3.984 -5.627 -9.130 1.00 0.00 O ATOM 96 C5' DA A 4 -5.187 -6.275 -8.761 1.00 0.00 C ATOM 97 C4' DA A 4 -5.748 -5.663 -7.477 1.00 0.00 C ATOM 98 O4' DA A 4 -4.982 -6.033 -6.355 1.00 0.00 O ATOM 99 C3' DA A 4 -5.934 -4.145 -7.513 1.00 0.00 C ATOM 100 O3' DA A 4 -7.306 -3.802 -7.351 1.00 0.00 O ATOM 101 C2' DA A 4 -5.100 -3.827 -6.315 1.00 0.00 C ATOM 102 C1' DA A 4 -5.216 -5.019 -5.409 1.00 0.00 C ATOM 103 N9 DA A 4 -4.112 -5.073 -4.456 1.00 0.00 N ATOM 104 C8 DA A 4 -2.804 -4.992 -4.791 1.00 0.00 C ATOM 105 N7 DA A 4 -1.977 -5.049 -3.785 1.00 0.00 N ATOM 106 C5 DA A 4 -2.830 -5.198 -2.693 1.00 0.00 C ATOM 107 C6 DA A 4 -2.605 -5.337 -1.310 1.00 0.00 C ATOM 108 N6 DA A 4 -1.380 -5.375 -0.777 1.00 0.00 N ATOM 109 N1 DA A 4 -3.671 -5.445 -0.496 1.00 0.00 N ATOM 110 C2 DA A 4 -4.896 -5.427 -1.018 1.00 0.00 C ATOM 111 N3 DA A 4 -5.242 -5.317 -2.297 1.00 0.00 N ATOM 112 C4 DA A 4 -4.145 -5.208 -3.093 1.00 0.00 C ATOM 0 H5' DA A 4 -5.004 -7.340 -8.615 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.918 -6.184 -9.565 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.751 -6.081 -7.393 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.657 -3.621 -8.428 1.00 0.00 H new ATOM 0 H2' DA A 4 -4.062 -3.649 -6.597 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.455 -2.923 -5.820 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.141 -5.052 -4.833 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.471 -4.888 -5.813 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.266 -5.477 0.231 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.560 -5.302 -1.379 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.711 -5.512 -0.314 1.00 0.00 H new ATOM 124 P DT A 5 -7.820 -2.274 -7.150 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.205 -2.188 -7.665 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.784 -1.360 -7.680 1.00 0.00 O ATOM 127 O5' DT A 5 -7.871 -2.090 -5.539 1.00 0.00 O ATOM 128 C5' DT A 5 -8.850 -2.753 -4.761 1.00 0.00 C ATOM 129 C4' DT A 5 -8.710 -2.465 -3.259 1.00 0.00 C ATOM 130 O4' DT A 5 -7.484 -2.951 -2.781 1.00 0.00 O ATOM 131 C3' DT A 5 -8.850 -0.994 -2.845 1.00 0.00 C ATOM 132 O3' DT A 5 -9.970 -0.899 -1.974 1.00 0.00 O ATOM 133 C2' DT A 5 -7.534 -0.712 -2.129 1.00 0.00 C ATOM 134 C1' DT A 5 -7.075 -2.107 -1.725 1.00 0.00 C ATOM 135 N1 DT A 5 -5.603 -2.155 -1.766 1.00 0.00 N ATOM 136 C2 DT A 5 -4.895 -2.292 -0.583 1.00 0.00 C ATOM 137 O2 DT A 5 -5.426 -2.570 0.487 1.00 0.00 O ATOM 138 N3 DT A 5 -3.529 -2.088 -0.680 1.00 0.00 N ATOM 139 C4 DT A 5 -2.804 -1.957 -1.855 1.00 0.00 C ATOM 140 O4 DT A 5 -1.575 -1.932 -1.810 1.00 0.00 O ATOM 141 C5 DT A 5 -3.624 -1.858 -3.056 1.00 0.00 C ATOM 142 C7 DT A 5 -2.945 -1.665 -4.400 1.00 0.00 C ATOM 143 C6 DT A 5 -4.980 -1.939 -2.967 1.00 0.00 C ATOM 0 H5' DT A 5 -8.775 -3.827 -4.929 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.842 -2.447 -5.094 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.556 -2.985 -2.809 1.00 0.00 H new ATOM 0 H3' DT A 5 -9.017 -0.287 -3.658 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.813 -0.221 -2.783 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.673 -0.064 -1.264 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.461 -2.377 -0.742 1.00 0.00 H new ATOM 0 H3 DT A 5 -3.007 -2.029 0.194 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.551 -2.122 -5.183 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.835 -0.600 -4.602 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.961 -2.135 -4.382 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.577 -1.831 -3.861 1.00 0.00 H new ATOM 156 P DA A 6 -10.426 0.474 -1.248 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.818 0.298 -0.778 1.00 0.00 O ATOM 158 OP2 DA A 6 -10.093 1.603 -2.145 1.00 0.00 O ATOM 159 O5' DA A 6 -9.467 0.568 0.053 1.00 0.00 O ATOM 160 C5' DA A 6 -9.523 -0.383 1.102 1.00 0.00 C ATOM 161 C4' DA A 6 -8.515 -0.049 2.215 1.00 0.00 C ATOM 162 O4' DA A 6 -7.234 -0.525 1.837 1.00 0.00 O ATOM 163 C3' DA A 6 -8.383 1.453 2.534 1.00 0.00 C ATOM 164 O3' DA A 6 -9.044 1.754 3.753 1.00 0.00 O ATOM 165 C2' DA A 6 -6.883 1.554 2.610 1.00 0.00 C ATOM 166 C1' DA A 6 -6.292 0.187 2.613 1.00 0.00 C ATOM 167 N9 DA A 6 -5.016 0.283 1.869 1.00 0.00 N ATOM 168 C8 DA A 6 -4.897 0.510 0.536 1.00 0.00 C ATOM 169 N7 DA A 6 -3.694 0.659 0.076 1.00 0.00 N ATOM 170 C5 DA A 6 -2.939 0.513 1.222 1.00 0.00 C ATOM 171 C6 DA A 6 -1.554 0.434 1.424 1.00 0.00 C ATOM 172 N6 DA A 6 -0.691 0.392 0.404 1.00 0.00 N ATOM 173 N1 DA A 6 -1.111 0.321 2.686 1.00 0.00 N ATOM 174 C2 DA A 6 -1.998 0.284 3.677 1.00 0.00 C ATOM 175 N3 DA A 6 -3.323 0.310 3.622 1.00 0.00 N ATOM 176 C4 DA A 6 -3.738 0.408 2.338 1.00 0.00 C ATOM 0 H5' DA A 6 -9.314 -1.377 0.706 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.530 -0.410 1.517 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.898 -0.533 3.113 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.830 2.152 1.828 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.503 2.124 1.762 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.589 2.091 3.512 1.00 0.00 H new ATOM 0 H1' DA A 6 -6.105 -0.257 3.591 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.761 0.564 -0.109 1.00 0.00 H new ATOM 0 H61 DA A 6 0.311 0.335 0.586 1.00 0.00 H new ATOM 0 H62 DA A 6 -1.035 0.417 -0.556 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.578 0.224 4.670 1.00 0.00 H new ATOM 188 P DT A 7 -9.034 3.230 4.422 1.00 0.00 P ATOM 189 OP1 DT A 7 -10.038 3.242 5.509 1.00 0.00 O ATOM 190 OP2 DT A 7 -9.114 4.235 3.339 1.00 0.00 O ATOM 191 O5' DT A 7 -7.572 3.340 5.097 1.00 0.00 O ATOM 192 C5' DT A 7 -7.123 2.391 6.048 1.00 0.00 C ATOM 193 C4' DT A 7 -5.671 2.662 6.457 1.00 0.00 C ATOM 194 O4' DT A 7 -4.844 2.429 5.327 1.00 0.00 O ATOM 195 C3' DT A 7 -5.471 4.118 6.894 1.00 0.00 C ATOM 196 O3' DT A 7 -4.892 4.138 8.189 1.00 0.00 O ATOM 197 C2' DT A 7 -4.530 4.650 5.815 1.00 0.00 C ATOM 198 C1' DT A 7 -3.812 3.396 5.328 1.00 0.00 C ATOM 199 N1 DT A 7 -3.282 3.552 3.956 1.00 0.00 N ATOM 200 C2 DT A 7 -1.912 3.412 3.728 1.00 0.00 C ATOM 201 O2 DT A 7 -1.084 3.259 4.622 1.00 0.00 O ATOM 202 N3 DT A 7 -1.509 3.453 2.403 1.00 0.00 N ATOM 203 C4 DT A 7 -2.334 3.660 1.307 1.00 0.00 C ATOM 204 O4 DT A 7 -1.847 3.660 0.178 1.00 0.00 O ATOM 205 C5 DT A 7 -3.737 3.859 1.644 1.00 0.00 C ATOM 206 C7 DT A 7 -4.761 4.105 0.559 1.00 0.00 C ATOM 207 C6 DT A 7 -4.151 3.799 2.932 1.00 0.00 C ATOM 0 H5' DT A 7 -7.205 1.387 5.631 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.764 2.423 6.929 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.419 2.008 7.292 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.380 4.715 6.974 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.077 5.139 5.009 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.831 5.384 6.217 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.952 3.147 5.950 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.515 3.319 2.216 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.287 4.614 -0.280 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.169 3.152 0.221 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.566 4.726 0.952 1.00 0.00 H new ATOM 0 H6 DT A 7 -5.197 3.951 3.155 1.00 0.00 H new ATOM 220 P DA A 8 -4.641 5.513 9.005 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.645 5.197 10.451 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.555 6.551 8.478 1.00 0.00 O ATOM 223 O5' DA A 8 -3.138 5.907 8.578 1.00 0.00 O ATOM 224 C5' DA A 8 -2.026 5.200 9.090 1.00 0.00 C ATOM 225 C4' DA A 8 -0.724 5.725 8.481 1.00 0.00 C ATOM 226 O4' DA A 8 -0.656 5.368 7.111 1.00 0.00 O ATOM 227 C3' DA A 8 -0.572 7.251 8.571 1.00 0.00 C ATOM 228 O3' DA A 8 0.627 7.555 9.266 1.00 0.00 O ATOM 229 C2' DA A 8 -0.543 7.615 7.112 1.00 0.00 C ATOM 230 C1' DA A 8 0.069 6.403 6.488 1.00 0.00 C ATOM 231 N9 DA A 8 -0.160 6.375 5.036 1.00 0.00 N ATOM 232 C8 DA A 8 -1.338 6.580 4.384 1.00 0.00 C ATOM 233 N7 DA A 8 -1.270 6.459 3.088 1.00 0.00 N ATOM 234 C5 DA A 8 0.075 6.176 2.868 1.00 0.00 C ATOM 235 C6 DA A 8 0.826 5.905 1.706 1.00 0.00 C ATOM 236 N6 DA A 8 0.279 5.783 0.489 1.00 0.00 N ATOM 237 N1 DA A 8 2.156 5.744 1.837 1.00 0.00 N ATOM 238 C2 DA A 8 2.710 5.809 3.046 1.00 0.00 C ATOM 239 N3 DA A 8 2.110 6.003 4.214 1.00 0.00 N ATOM 240 C4 DA A 8 0.771 6.178 4.052 1.00 0.00 C ATOM 0 H5' DA A 8 -2.133 4.137 8.872 1.00 0.00 H new ATOM 0 H5'' DA A 8 -1.993 5.301 10.175 1.00 0.00 H new ATOM 0 H4' DA A 8 0.078 5.271 9.062 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.345 7.793 9.115 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.542 7.811 6.723 1.00 0.00 H new ATOM 0 H2'' DA A 8 0.052 8.510 6.929 1.00 0.00 H new ATOM 0 H1' DA A 8 1.150 6.346 6.616 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.255 6.823 4.900 1.00 0.00 H new ATOM 0 H61 DA A 8 0.870 5.586 -0.319 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.729 5.887 0.370 1.00 0.00 H new ATOM 0 H2 DA A 8 3.783 5.689 3.081 1.00 0.00 H new ATOM 252 P DG A 9 1.099 9.070 9.586 1.00 0.00 P ATOM 253 OP1 DG A 9 1.505 9.136 11.007 1.00 0.00 O ATOM 254 OP2 DG A 9 0.084 10.014 9.067 1.00 0.00 O ATOM 255 O5' DG A 9 2.421 9.214 8.673 1.00 0.00 O ATOM 256 C5' DG A 9 3.571 8.430 8.926 1.00 0.00 C ATOM 257 C4' DG A 9 4.784 8.899 8.113 1.00 0.00 C ATOM 258 O4' DG A 9 4.541 8.675 6.734 1.00 0.00 O ATOM 259 C3' DG A 9 5.074 10.390 8.287 1.00 0.00 C ATOM 260 O3' DG A 9 6.489 10.496 8.222 1.00 0.00 O ATOM 261 C2' DG A 9 4.319 11.004 7.110 1.00 0.00 C ATOM 262 C1' DG A 9 4.429 9.913 6.047 1.00 0.00 C ATOM 263 N9 DG A 9 3.281 9.739 5.128 1.00 0.00 N ATOM 264 C8 DG A 9 1.944 9.981 5.325 1.00 0.00 C ATOM 265 N7 DG A 9 1.205 9.758 4.271 1.00 0.00 N ATOM 266 C5 DG A 9 2.113 9.338 3.303 1.00 0.00 C ATOM 267 C6 DG A 9 1.919 9.015 1.923 1.00 0.00 C ATOM 268 O6 DG A 9 0.865 8.982 1.295 1.00 0.00 O ATOM 269 N1 DG A 9 3.112 8.711 1.269 1.00 0.00 N ATOM 270 C2 DG A 9 4.348 8.671 1.885 1.00 0.00 C ATOM 271 N2 DG A 9 5.404 8.379 1.120 1.00 0.00 N ATOM 272 N3 DG A 9 4.530 8.955 3.182 1.00 0.00 N ATOM 273 C4 DG A 9 3.380 9.289 3.832 1.00 0.00 C ATOM 0 H5' DG A 9 3.357 7.388 8.688 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.810 8.472 9.989 1.00 0.00 H new ATOM 0 H4' DG A 9 5.641 8.332 8.477 1.00 0.00 H new ATOM 0 H3' DG A 9 4.765 10.884 9.208 1.00 0.00 H new ATOM 0 H2' DG A 9 3.281 11.223 7.362 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.771 11.940 6.781 1.00 0.00 H new ATOM 0 H1' DG A 9 5.276 10.216 5.431 1.00 0.00 H new ATOM 0 H8 DG A 9 1.540 10.325 6.266 1.00 0.00 H new ATOM 0 H1 DG A 9 3.070 8.505 0.271 1.00 0.00 H new ATOM 0 H21 DG A 9 6.336 8.338 1.532 1.00 0.00 H new ATOM 0 H22 DG A 9 5.278 8.197 0.124 1.00 0.00 H new ATOM 285 P DC A 10 7.306 11.879 8.059 1.00 0.00 P ATOM 286 OP1 DC A 10 8.569 11.758 8.822 1.00 0.00 O ATOM 287 OP2 DC A 10 6.399 13.021 8.314 1.00 0.00 O ATOM 288 O5' DC A 10 7.661 11.832 6.482 1.00 0.00 O ATOM 289 C5' DC A 10 8.436 10.768 5.951 1.00 0.00 C ATOM 290 C4' DC A 10 8.763 10.941 4.461 1.00 0.00 C ATOM 291 O4' DC A 10 7.567 10.626 3.783 1.00 0.00 O ATOM 292 C3' DC A 10 9.169 12.364 4.047 1.00 0.00 C ATOM 293 O3' DC A 10 10.572 12.500 3.875 1.00 0.00 O ATOM 294 C2' DC A 10 8.446 12.531 2.718 1.00 0.00 C ATOM 295 C1' DC A 10 7.502 11.359 2.580 1.00 0.00 C ATOM 296 N1 DC A 10 6.099 11.803 2.399 1.00 0.00 N ATOM 297 C2 DC A 10 5.559 11.793 1.114 1.00 0.00 C ATOM 298 O2 DC A 10 6.278 11.612 0.135 1.00 0.00 O ATOM 299 N3 DC A 10 4.215 11.989 0.968 1.00 0.00 N ATOM 300 C4 DC A 10 3.431 12.204 2.037 1.00 0.00 C ATOM 301 N4 DC A 10 2.113 12.341 1.857 1.00 0.00 N ATOM 302 C5 DC A 10 3.983 12.261 3.361 1.00 0.00 C ATOM 303 C6 DC A 10 5.312 12.075 3.488 1.00 0.00 C ATOM 0 H5' DC A 10 7.898 9.830 6.092 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.366 10.689 6.513 1.00 0.00 H new ATOM 0 H4' DC A 10 9.618 10.308 4.224 1.00 0.00 H new ATOM 0 H3' DC A 10 8.911 13.111 4.798 1.00 0.00 H new ATOM 0 H2' DC A 10 7.898 13.473 2.692 1.00 0.00 H new ATOM 0 H2'' DC A 10 9.157 12.553 1.892 1.00 0.00 H new ATOM 0 H1' DC A 10 7.794 10.771 1.710 1.00 0.00 H new ATOM 0 H41 DC A 10 1.503 12.505 2.658 1.00 0.00 H new ATOM 0 H42 DC A 10 1.718 12.282 0.919 1.00 0.00 H new ATOM 0 H5 DC A 10 3.358 12.446 4.222 1.00 0.00 H new ATOM 0 H6 DC A 10 5.765 12.142 4.466 1.00 0.00 H new ATOM 315 P DC A 11 11.259 13.911 3.448 1.00 0.00 P ATOM 316 OP1 DC A 11 12.724 13.763 3.591 1.00 0.00 O ATOM 317 OP2 DC A 11 10.562 14.999 4.170 1.00 0.00 O ATOM 318 O5' DC A 11 10.932 14.086 1.869 1.00 0.00 O ATOM 319 C5' DC A 11 11.587 13.307 0.883 1.00 0.00 C ATOM 320 C4' DC A 11 10.977 13.517 -0.512 1.00 0.00 C ATOM 321 O4' DC A 11 9.621 13.136 -0.522 1.00 0.00 O ATOM 322 C3' DC A 11 11.067 14.939 -1.062 1.00 0.00 C ATOM 323 O3' DC A 11 12.280 15.146 -1.754 1.00 0.00 O ATOM 324 C2' DC A 11 9.877 14.965 -2.022 1.00 0.00 C ATOM 325 C1' DC A 11 8.949 13.829 -1.562 1.00 0.00 C ATOM 326 N1 DC A 11 7.705 14.350 -0.938 1.00 0.00 N ATOM 327 C2 DC A 11 6.482 14.231 -1.602 1.00 0.00 C ATOM 328 O2 DC A 11 6.415 13.790 -2.748 1.00 0.00 O ATOM 329 N3 DC A 11 5.350 14.617 -0.944 1.00 0.00 N ATOM 330 C4 DC A 11 5.404 15.122 0.299 1.00 0.00 C ATOM 331 N4 DC A 11 4.264 15.444 0.917 1.00 0.00 N ATOM 332 C5 DC A 11 6.657 15.301 0.976 1.00 0.00 C ATOM 333 C6 DC A 11 7.768 14.900 0.315 1.00 0.00 C ATOM 0 H5' DC A 11 11.523 12.253 1.152 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.645 13.567 0.859 1.00 0.00 H new ATOM 0 H4' DC A 11 11.586 12.888 -1.161 1.00 0.00 H new ATOM 0 H3' DC A 11 11.045 15.714 -0.296 1.00 0.00 H new ATOM 0 H2' DC A 11 9.366 15.927 -1.987 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.201 14.814 -3.052 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.309 16.064 -2.096 1.00 0.00 H new ATOM 0 H1' DC A 11 8.705 13.217 -2.431 1.00 0.00 H new ATOM 0 H41 DC A 11 4.287 15.829 1.861 1.00 0.00 H new ATOM 0 H42 DC A 11 3.371 15.305 0.444 1.00 0.00 H new ATOM 0 H5 DC A 11 6.711 15.734 1.964 1.00 0.00 H new ATOM 0 H6 DC A 11 8.731 15.017 0.789 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -4.901 14.958 -5.149 1.00 0.00 O ATOM 348 C5' DG B 12 -4.424 15.530 -6.350 1.00 0.00 C ATOM 349 C4' DG B 12 -3.040 14.978 -6.714 1.00 0.00 C ATOM 350 O4' DG B 12 -2.178 15.251 -5.624 1.00 0.00 O ATOM 351 C3' DG B 12 -3.050 13.458 -6.934 1.00 0.00 C ATOM 352 O3' DG B 12 -2.523 13.181 -8.221 1.00 0.00 O ATOM 353 C2' DG B 12 -2.151 12.950 -5.807 1.00 0.00 C ATOM 354 C1' DG B 12 -1.293 14.161 -5.493 1.00 0.00 C ATOM 355 N9 DG B 12 -0.796 14.158 -4.098 1.00 0.00 N ATOM 356 C8 DG B 12 -1.528 14.224 -2.939 1.00 0.00 C ATOM 357 N7 DG B 12 -0.809 14.285 -1.854 1.00 0.00 N ATOM 358 C5 DG B 12 0.498 14.250 -2.321 1.00 0.00 C ATOM 359 C6 DG B 12 1.726 14.291 -1.597 1.00 0.00 C ATOM 360 O6 DG B 12 1.884 14.372 -0.382 1.00 0.00 O ATOM 361 N1 DG B 12 2.838 14.226 -2.431 1.00 0.00 N ATOM 362 C2 DG B 12 2.777 14.112 -3.808 1.00 0.00 C ATOM 363 N2 DG B 12 3.941 14.008 -4.458 1.00 0.00 N ATOM 364 N3 DG B 12 1.621 14.075 -4.493 1.00 0.00 N ATOM 365 C4 DG B 12 0.520 14.151 -3.694 1.00 0.00 C ATOM 0 H5' DG B 12 -4.370 16.613 -6.244 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.125 15.323 -7.158 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.717 15.448 -7.643 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.033 12.988 -6.906 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.730 12.628 -4.941 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.549 12.098 -6.122 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.151 14.814 -4.535 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.421 14.189 -6.146 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.608 14.225 -2.927 1.00 0.00 H new ATOM 0 H1 DG B 12 3.760 14.265 -1.997 1.00 0.00 H new ATOM 0 H21 DG B 12 3.952 13.921 -5.474 1.00 0.00 H new ATOM 0 H22 DG B 12 4.818 14.015 -3.937 1.00 0.00 H new ATOM 378 P DG B 13 -2.455 11.684 -8.829 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.473 11.788 -10.305 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.463 10.849 -8.139 1.00 0.00 O ATOM 381 O5' DG B 13 -0.992 11.176 -8.378 1.00 0.00 O ATOM 382 C5' DG B 13 0.180 11.775 -8.894 1.00 0.00 C ATOM 383 C4' DG B 13 1.445 11.119 -8.329 1.00 0.00 C ATOM 384 O4' DG B 13 1.491 11.361 -6.932 1.00 0.00 O ATOM 385 C3' DG B 13 1.464 9.601 -8.531 1.00 0.00 C ATOM 386 O3' DG B 13 2.824 9.277 -8.766 1.00 0.00 O ATOM 387 C2' DG B 13 0.955 9.093 -7.180 1.00 0.00 C ATOM 388 C1' DG B 13 1.561 10.122 -6.246 1.00 0.00 C ATOM 389 N9 DG B 13 0.944 10.333 -4.918 1.00 0.00 N ATOM 390 C8 DG B 13 -0.363 10.252 -4.508 1.00 0.00 C ATOM 391 N7 DG B 13 -0.541 10.528 -3.244 1.00 0.00 N ATOM 392 C5 DG B 13 0.740 10.801 -2.773 1.00 0.00 C ATOM 393 C6 DG B 13 1.203 11.123 -1.458 1.00 0.00 C ATOM 394 O6 DG B 13 0.541 11.308 -0.441 1.00 0.00 O ATOM 395 N1 DG B 13 2.593 11.225 -1.393 1.00 0.00 N ATOM 396 C2 DG B 13 3.434 11.097 -2.482 1.00 0.00 C ATOM 397 N2 DG B 13 4.742 11.257 -2.276 1.00 0.00 N ATOM 398 N3 DG B 13 2.999 10.839 -3.721 1.00 0.00 N ATOM 399 C4 DG B 13 1.649 10.691 -3.796 1.00 0.00 C ATOM 0 H5' DG B 13 0.182 12.838 -8.653 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.182 11.694 -9.981 1.00 0.00 H new ATOM 0 H4' DG B 13 2.297 11.547 -8.858 1.00 0.00 H new ATOM 0 H3' DG B 13 0.873 9.187 -9.348 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.134 9.077 -7.128 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.300 8.082 -6.962 1.00 0.00 H new ATOM 0 H1' DG B 13 2.553 9.735 -6.014 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.172 9.984 -5.171 1.00 0.00 H new ATOM 0 H1 DG B 13 3.016 11.406 -0.483 1.00 0.00 H new ATOM 0 H21 DG B 13 5.395 11.170 -3.055 1.00 0.00 H new ATOM 0 H22 DG B 13 5.089 11.466 -1.340 1.00 0.00 H new ATOM 411 P DC B 14 3.369 7.786 -9.067 1.00 0.00 P ATOM 412 OP1 DC B 14 4.062 7.800 -10.374 1.00 0.00 O ATOM 413 OP2 DC B 14 2.294 6.802 -8.812 1.00 0.00 O ATOM 414 O5' DC B 14 4.476 7.648 -7.901 1.00 0.00 O ATOM 415 C5' DC B 14 5.630 8.471 -7.897 1.00 0.00 C ATOM 416 C4' DC B 14 6.495 8.228 -6.656 1.00 0.00 C ATOM 417 O4' DC B 14 5.733 8.601 -5.518 1.00 0.00 O ATOM 418 C3' DC B 14 6.882 6.753 -6.504 1.00 0.00 C ATOM 419 O3' DC B 14 8.256 6.707 -6.157 1.00 0.00 O ATOM 420 C2' DC B 14 5.961 6.298 -5.372 1.00 0.00 C ATOM 421 C1' DC B 14 5.844 7.577 -4.546 1.00 0.00 C ATOM 422 N1 DC B 14 4.605 7.628 -3.716 1.00 0.00 N ATOM 423 C2 DC B 14 4.709 7.810 -2.332 1.00 0.00 C ATOM 424 O2 DC B 14 5.801 7.890 -1.775 1.00 0.00 O ATOM 425 N3 DC B 14 3.565 7.901 -1.590 1.00 0.00 N ATOM 426 C4 DC B 14 2.360 7.823 -2.172 1.00 0.00 C ATOM 427 N4 DC B 14 1.261 7.929 -1.421 1.00 0.00 N ATOM 428 C5 DC B 14 2.230 7.677 -3.591 1.00 0.00 C ATOM 429 C6 DC B 14 3.367 7.592 -4.316 1.00 0.00 C ATOM 0 H5' DC B 14 5.330 9.518 -7.932 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.218 8.278 -8.794 1.00 0.00 H new ATOM 0 H4' DC B 14 7.410 8.812 -6.754 1.00 0.00 H new ATOM 0 H3' DC B 14 6.768 6.123 -7.386 1.00 0.00 H new ATOM 0 H2' DC B 14 4.994 5.958 -5.741 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.390 5.476 -4.798 1.00 0.00 H new ATOM 0 H1' DC B 14 6.690 7.659 -3.864 1.00 0.00 H new ATOM 0 H41 DC B 14 0.340 7.871 -1.854 1.00 0.00 H new ATOM 0 H42 DC B 14 1.343 8.068 -0.414 1.00 0.00 H new ATOM 0 H5 DC B 14 1.260 7.636 -4.064 1.00 0.00 H new ATOM 0 H6 DC B 14 3.303 7.494 -5.390 1.00 0.00 H new ATOM 441 P DT B 15 9.060 5.320 -5.968 1.00 0.00 P ATOM 442 OP1 DT B 15 10.503 5.598 -6.143 1.00 0.00 O ATOM 443 OP2 DT B 15 8.407 4.277 -6.789 1.00 0.00 O ATOM 444 O5' DT B 15 8.795 4.980 -4.417 1.00 0.00 O ATOM 445 C5' DT B 15 9.371 5.756 -3.384 1.00 0.00 C ATOM 446 C4' DT B 15 8.928 5.244 -2.010 1.00 0.00 C ATOM 447 O4' DT B 15 7.557 5.525 -1.879 1.00 0.00 O ATOM 448 C3' DT B 15 9.073 3.727 -1.822 1.00 0.00 C ATOM 449 O3' DT B 15 10.217 3.493 -1.011 1.00 0.00 O ATOM 450 C2' DT B 15 7.753 3.311 -1.176 1.00 0.00 C ATOM 451 C1' DT B 15 7.045 4.632 -0.918 1.00 0.00 C ATOM 452 N1 DT B 15 5.601 4.543 -1.209 1.00 0.00 N ATOM 453 C2 DT B 15 4.700 4.979 -0.248 1.00 0.00 C ATOM 454 O2 DT B 15 5.038 5.348 0.873 1.00 0.00 O ATOM 455 N3 DT B 15 3.370 4.976 -0.624 1.00 0.00 N ATOM 456 C4 DT B 15 2.865 4.578 -1.850 1.00 0.00 C ATOM 457 O4 DT B 15 1.654 4.639 -2.051 1.00 0.00 O ATOM 458 C5 DT B 15 3.872 4.115 -2.792 1.00 0.00 C ATOM 459 C7 DT B 15 3.446 3.649 -4.169 1.00 0.00 C ATOM 460 C6 DT B 15 5.186 4.110 -2.444 1.00 0.00 C ATOM 0 H5' DT B 15 9.078 6.800 -3.500 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.458 5.719 -3.458 1.00 0.00 H new ATOM 0 H4' DT B 15 9.567 5.734 -1.275 1.00 0.00 H new ATOM 0 H3' DT B 15 9.234 3.151 -2.733 1.00 0.00 H new ATOM 0 H2' DT B 15 7.171 2.667 -1.835 1.00 0.00 H new ATOM 0 H2'' DT B 15 7.917 2.757 -0.251 1.00 0.00 H new ATOM 0 H1' DT B 15 7.193 4.924 0.122 1.00 0.00 H new ATOM 0 H3 DT B 15 2.695 5.298 0.069 1.00 0.00 H new ATOM 0 H71 DT B 15 4.246 3.845 -4.883 1.00 0.00 H new ATOM 0 H72 DT B 15 3.237 2.579 -4.143 1.00 0.00 H new ATOM 0 H73 DT B 15 2.548 4.187 -4.473 1.00 0.00 H new ATOM 0 H6 DT B 15 5.919 3.758 -3.154 1.00 0.00 H new ATOM 473 P DA B 16 10.677 2.022 -0.520 1.00 0.00 P ATOM 474 OP1 DA B 16 12.075 2.114 -0.045 1.00 0.00 O ATOM 475 OP2 DA B 16 10.322 1.047 -1.575 1.00 0.00 O ATOM 476 O5' DA B 16 9.732 1.744 0.760 1.00 0.00 O ATOM 477 C5' DA B 16 9.878 2.451 1.981 1.00 0.00 C ATOM 478 C4' DA B 16 8.697 2.177 2.931 1.00 0.00 C ATOM 479 O4' DA B 16 7.508 2.645 2.340 1.00 0.00 O ATOM 480 C3' DA B 16 8.425 0.711 3.209 1.00 0.00 C ATOM 481 O3' DA B 16 8.979 0.267 4.439 1.00 0.00 O ATOM 482 C2' DA B 16 6.958 0.453 2.983 1.00 0.00 C ATOM 483 C1' DA B 16 6.483 1.866 2.918 1.00 0.00 C ATOM 484 N9 DA B 16 5.284 1.966 2.081 1.00 0.00 N ATOM 485 C8 DA B 16 5.258 1.651 0.763 1.00 0.00 C ATOM 486 N7 DA B 16 4.102 1.838 0.185 1.00 0.00 N ATOM 487 C5 DA B 16 3.284 2.247 1.240 1.00 0.00 C ATOM 488 C6 DA B 16 1.912 2.574 1.329 1.00 0.00 C ATOM 489 N6 DA B 16 1.116 2.693 0.259 1.00 0.00 N ATOM 490 N1 DA B 16 1.381 2.775 2.551 1.00 0.00 N ATOM 491 C2 DA B 16 2.172 2.704 3.622 1.00 0.00 C ATOM 492 N3 DA B 16 3.482 2.473 3.666 1.00 0.00 N ATOM 493 C4 DA B 16 3.986 2.250 2.423 1.00 0.00 C ATOM 0 H5' DA B 16 9.944 3.520 1.779 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.811 2.159 2.463 1.00 0.00 H new ATOM 0 H4' DA B 16 8.977 2.674 3.860 1.00 0.00 H new ATOM 0 H3' DA B 16 8.959 0.073 2.505 1.00 0.00 H new ATOM 0 H2' DA B 16 6.764 -0.100 2.064 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.499 -0.109 3.796 1.00 0.00 H new ATOM 0 H1' DA B 16 6.240 2.216 3.921 1.00 0.00 H new ATOM 0 H8 DA B 16 6.122 1.276 0.234 1.00 0.00 H new ATOM 0 H61 DA B 16 0.132 2.931 0.380 1.00 0.00 H new ATOM 0 H62 DA B 16 1.494 2.545 -0.677 1.00 0.00 H new ATOM 0 H2 DA B 16 1.688 2.853 4.576 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.275 -0.967 4.178 1.00 0.00 N HETATM 506 C2 T41 B 17 1.971 -0.564 3.898 1.00 0.00 C HETATM 507 N3 T41 B 17 1.608 -0.556 2.559 1.00 0.00 N HETATM 508 C4 T41 B 17 2.409 -0.909 1.486 1.00 0.00 C HETATM 509 C5 T41 B 17 3.737 -1.340 1.866 1.00 0.00 C HETATM 510 C5M T41 B 17 4.719 -1.806 0.819 1.00 0.00 C HETATM 511 C6 T41 B 17 4.114 -1.349 3.163 1.00 0.00 C HETATM 512 O2 T41 B 17 1.163 -0.228 4.761 1.00 0.00 O HETATM 513 O4 T41 B 17 1.975 -0.841 0.340 1.00 0.00 O HETATM 514 C1' T41 B 17 3.737 -0.939 5.592 1.00 0.00 C HETATM 515 C2' T41 B 17 4.208 -2.221 6.201 1.00 0.00 C HETATM 516 O2' T41 B 17 5.076 -2.935 5.372 1.00 0.00 O HETATM 517 C3' T41 B 17 4.990 -1.751 7.419 1.00 0.00 C HETATM 518 C4' T41 B 17 5.486 -0.369 6.966 1.00 0.00 C HETATM 519 O3' T41 B 17 4.179 -1.558 8.569 1.00 0.00 O HETATM 520 O4' T41 B 17 4.790 -0.015 5.778 1.00 0.00 O HETATM 521 C5' T41 B 17 6.988 -0.325 6.657 1.00 0.00 C HETATM 522 O5' T41 B 17 7.350 -1.258 5.656 1.00 0.00 O HETATM 523 C6' T41 B 17 4.674 -4.261 5.432 1.00 0.00 C HETATM 524 P T41 B 17 8.822 -1.249 4.990 1.00 0.00 P HETATM 525 O1P T41 B 17 9.812 -1.446 6.072 1.00 0.00 O HETATM 526 O2P T41 B 17 8.807 -2.170 3.831 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.308 -2.668 0.293 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 4.902 -1.000 0.108 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.657 -2.087 1.299 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.262 0.679 6.333 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.552 -0.532 7.567 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.371 -2.889 6.405 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.125 -1.673 3.412 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.301 0.321 7.790 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.751 -2.477 7.704 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.656 -0.261 2.343 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.739 -4.615 6.461 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.645 -4.345 5.083 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.322 -4.867 4.799 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.812 -0.665 6.100 1.00 0.00 H new ATOM 541 P DA B 18 3.520 -2.775 9.403 1.00 0.00 P ATOM 542 OP1 DA B 18 3.461 -2.372 10.825 1.00 0.00 O ATOM 543 OP2 DA B 18 4.205 -4.031 9.027 1.00 0.00 O ATOM 544 O5' DA B 18 2.011 -2.838 8.834 1.00 0.00 O ATOM 545 C5' DA B 18 1.021 -1.903 9.235 1.00 0.00 C ATOM 546 C4' DA B 18 -0.326 -2.281 8.608 1.00 0.00 C ATOM 547 O4' DA B 18 -0.195 -2.165 7.213 1.00 0.00 O ATOM 548 C3' DA B 18 -0.732 -3.726 8.929 1.00 0.00 C ATOM 549 O3' DA B 18 -1.954 -3.688 9.649 1.00 0.00 O ATOM 550 C2' DA B 18 -0.858 -4.334 7.533 1.00 0.00 C ATOM 551 C1' DA B 18 -1.056 -3.125 6.655 1.00 0.00 C ATOM 552 N9 DA B 18 -0.597 -3.312 5.264 1.00 0.00 N ATOM 553 C8 DA B 18 0.684 -3.595 4.860 1.00 0.00 C ATOM 554 N7 DA B 18 0.862 -3.574 3.571 1.00 0.00 N ATOM 555 C5 DA B 18 -0.394 -3.242 3.082 1.00 0.00 C ATOM 556 C6 DA B 18 -0.871 -3.012 1.779 1.00 0.00 C ATOM 557 N6 DA B 18 -0.105 -3.044 0.684 1.00 0.00 N ATOM 558 N1 DA B 18 -2.158 -2.676 1.634 1.00 0.00 N ATOM 559 C2 DA B 18 -2.957 -2.568 2.686 1.00 0.00 C ATOM 560 N3 DA B 18 -2.626 -2.751 3.967 1.00 0.00 N ATOM 561 C4 DA B 18 -1.306 -3.092 4.102 1.00 0.00 C ATOM 0 H5' DA B 18 1.309 -0.898 8.926 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.937 -1.890 10.322 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.091 -1.619 9.013 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.046 -4.302 9.550 1.00 0.00 H new ATOM 0 H2' DA B 18 0.035 -4.894 7.254 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.700 -5.023 7.467 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.117 -2.878 6.617 1.00 0.00 H new ATOM 0 H8 DA B 18 1.480 -3.817 5.556 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.517 -2.867 -0.232 1.00 0.00 H new ATOM 0 H62 DA B 18 0.892 -3.245 0.765 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.985 -2.304 2.486 1.00 0.00 H new ATOM 573 P DT B 19 -2.776 -5.017 10.059 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.581 -4.712 11.263 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.848 -6.170 10.064 1.00 0.00 O ATOM 576 O5' DT B 19 -3.780 -5.180 8.807 1.00 0.00 O ATOM 577 C5' DT B 19 -4.749 -4.191 8.515 1.00 0.00 C ATOM 578 C4' DT B 19 -5.558 -4.570 7.271 1.00 0.00 C ATOM 579 O4' DT B 19 -4.680 -4.487 6.160 1.00 0.00 O ATOM 580 C3' DT B 19 -6.102 -6.007 7.337 1.00 0.00 C ATOM 581 O3' DT B 19 -7.497 -5.986 7.075 1.00 0.00 O ATOM 582 C2' DT B 19 -5.318 -6.714 6.233 1.00 0.00 C ATOM 583 C1' DT B 19 -4.978 -5.570 5.308 1.00 0.00 C ATOM 584 N1 DT B 19 -3.862 -5.815 4.375 1.00 0.00 N ATOM 585 C2 DT B 19 -4.026 -5.679 2.999 1.00 0.00 C ATOM 586 O2 DT B 19 -5.092 -5.379 2.467 1.00 0.00 O ATOM 587 N3 DT B 19 -2.888 -5.907 2.237 1.00 0.00 N ATOM 588 C4 DT B 19 -1.636 -6.268 2.717 1.00 0.00 C ATOM 589 O4 DT B 19 -0.700 -6.421 1.936 1.00 0.00 O ATOM 590 C5 DT B 19 -1.574 -6.426 4.159 1.00 0.00 C ATOM 591 C7 DT B 19 -0.285 -6.886 4.811 1.00 0.00 C ATOM 592 C6 DT B 19 -2.676 -6.183 4.911 1.00 0.00 C ATOM 0 H5' DT B 19 -4.258 -3.231 8.356 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.419 -4.070 9.366 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.410 -3.895 7.194 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.985 -6.501 8.302 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.425 -7.207 6.618 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.914 -7.478 5.735 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.823 -5.393 4.643 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.981 -5.799 1.227 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.214 -6.465 5.814 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.277 -7.974 4.873 1.00 0.00 H new ATOM 0 H73 DT B 19 0.564 -6.550 4.215 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.604 -6.288 5.983 1.00 0.00 H new ATOM 605 P DG B 20 -8.401 -7.328 7.080 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.765 -6.961 7.524 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.662 -8.395 7.792 1.00 0.00 O ATOM 608 O5' DG B 20 -8.469 -7.727 5.516 1.00 0.00 O ATOM 609 C5' DG B 20 -9.209 -6.950 4.593 1.00 0.00 C ATOM 610 C4' DG B 20 -9.242 -7.598 3.204 1.00 0.00 C ATOM 611 O4' DG B 20 -7.952 -7.514 2.620 1.00 0.00 O ATOM 612 C3' DG B 20 -9.618 -9.085 3.253 1.00 0.00 C ATOM 613 O3' DG B 20 -10.544 -9.284 2.197 1.00 0.00 O ATOM 614 C2' DG B 20 -8.263 -9.762 3.040 1.00 0.00 C ATOM 615 C1' DG B 20 -7.632 -8.779 2.069 1.00 0.00 C ATOM 616 N9 DG B 20 -6.163 -8.838 1.964 1.00 0.00 N ATOM 617 C8 DG B 20 -5.252 -9.024 2.963 1.00 0.00 C ATOM 618 N7 DG B 20 -4.008 -8.977 2.574 1.00 0.00 N ATOM 619 C5 DG B 20 -4.101 -8.760 1.202 1.00 0.00 C ATOM 620 C6 DG B 20 -3.077 -8.672 0.210 1.00 0.00 C ATOM 621 O6 DG B 20 -1.862 -8.662 0.381 1.00 0.00 O ATOM 622 N1 DG B 20 -3.589 -8.593 -1.084 1.00 0.00 N ATOM 623 C2 DG B 20 -4.938 -8.557 -1.385 1.00 0.00 C ATOM 624 N2 DG B 20 -5.282 -8.503 -2.674 1.00 0.00 N ATOM 625 N3 DG B 20 -5.901 -8.587 -0.451 1.00 0.00 N ATOM 626 C4 DG B 20 -5.419 -8.698 0.816 1.00 0.00 C ATOM 0 H5' DG B 20 -8.769 -5.955 4.520 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.228 -6.822 4.959 1.00 0.00 H new ATOM 0 H4' DG B 20 -9.995 -7.063 2.626 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.091 -9.467 4.158 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.694 -9.858 3.965 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.358 -10.763 2.618 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.004 -8.995 1.067 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.537 -9.196 3.990 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.926 -8.560 -1.858 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.267 -8.475 -2.938 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.560 -8.490 -3.394 1.00 0.00 H new ATOM 638 P DC B 21 -11.106 -10.726 1.737 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.549 -10.586 1.442 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.647 -11.762 2.689 1.00 0.00 O ATOM 641 O5' DC B 21 -10.321 -10.920 0.341 1.00 0.00 O ATOM 642 C5' DC B 21 -10.493 -9.995 -0.719 1.00 0.00 C ATOM 643 C4' DC B 21 -9.789 -10.446 -2.004 1.00 0.00 C ATOM 644 O4' DC B 21 -8.394 -10.357 -1.770 1.00 0.00 O ATOM 645 C3' DC B 21 -10.117 -11.899 -2.369 1.00 0.00 C ATOM 646 O3' DC B 21 -10.305 -11.975 -3.773 1.00 0.00 O ATOM 647 C2' DC B 21 -8.859 -12.628 -1.902 1.00 0.00 C ATOM 648 C1' DC B 21 -7.788 -11.573 -2.164 1.00 0.00 C ATOM 649 N1 DC B 21 -6.590 -11.748 -1.300 1.00 0.00 N ATOM 650 C2 DC B 21 -5.319 -11.773 -1.879 1.00 0.00 C ATOM 651 O2 DC B 21 -5.168 -11.734 -3.098 1.00 0.00 O ATOM 652 N3 DC B 21 -4.231 -11.842 -1.060 1.00 0.00 N ATOM 653 C4 DC B 21 -4.368 -11.892 0.273 1.00 0.00 C ATOM 654 N4 DC B 21 -3.271 -11.932 1.033 1.00 0.00 N ATOM 655 C5 DC B 21 -5.663 -11.834 0.889 1.00 0.00 C ATOM 656 C6 DC B 21 -6.732 -11.762 0.065 1.00 0.00 C ATOM 0 H5' DC B 21 -10.104 -9.023 -0.416 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.557 -9.866 -0.916 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.123 -9.812 -2.825 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.021 -12.315 -1.924 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.912 -12.907 -0.850 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.681 -13.544 -2.466 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.461 -11.624 -3.203 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.355 -11.970 2.049 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.349 -11.924 0.598 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.778 -11.847 1.963 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.723 -11.714 0.492 1.00 0.00 H new ATOM 668 P DG B 22 -10.668 -13.356 -4.531 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.456 -13.027 -5.740 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.206 -14.316 -3.542 1.00 0.00 O ATOM 671 O5' DG B 22 -9.219 -13.882 -5.004 1.00 0.00 O ATOM 672 C5' DG B 22 -8.520 -13.246 -6.058 1.00 0.00 C ATOM 673 C4' DG B 22 -7.161 -13.913 -6.283 1.00 0.00 C ATOM 674 O4' DG B 22 -6.386 -13.731 -5.113 1.00 0.00 O ATOM 675 C3' DG B 22 -7.270 -15.428 -6.515 1.00 0.00 C ATOM 676 O3' DG B 22 -6.675 -15.774 -7.748 1.00 0.00 O ATOM 677 C2' DG B 22 -6.464 -16.020 -5.366 1.00 0.00 C ATOM 678 C1' DG B 22 -5.554 -14.863 -5.002 1.00 0.00 C ATOM 679 N9 DG B 22 -5.012 -14.923 -3.627 1.00 0.00 N ATOM 680 C8 DG B 22 -5.682 -15.054 -2.435 1.00 0.00 C ATOM 681 N7 DG B 22 -4.915 -14.999 -1.383 1.00 0.00 N ATOM 682 C5 DG B 22 -3.639 -14.821 -1.908 1.00 0.00 C ATOM 683 C6 DG B 22 -2.383 -14.655 -1.248 1.00 0.00 C ATOM 684 O6 DG B 22 -2.160 -14.625 -0.040 1.00 0.00 O ATOM 685 N1 DG B 22 -1.324 -14.517 -2.142 1.00 0.00 N ATOM 686 C2 DG B 22 -1.458 -14.533 -3.519 1.00 0.00 C ATOM 687 N2 DG B 22 -0.349 -14.379 -4.247 1.00 0.00 N ATOM 688 N3 DG B 22 -2.641 -14.658 -4.140 1.00 0.00 N ATOM 689 C4 DG B 22 -3.688 -14.794 -3.282 1.00 0.00 C ATOM 0 H5' DG B 22 -8.379 -12.191 -5.823 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.110 -13.293 -6.973 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.718 -13.459 -7.169 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.300 -15.783 -6.547 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.099 -16.320 -4.532 1.00 0.00 H new ATOM 0 H2'' DG B 22 -5.902 -16.902 -5.672 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.748 -16.741 -7.886 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.678 -14.863 -5.651 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.752 -15.191 -2.375 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.388 -14.396 -1.756 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.403 -14.385 -5.266 1.00 0.00 H new ATOM 0 H22 DG B 22 0.552 -14.256 -3.784 1.00 0.00 H new TER 702 DG B 22