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= -0.831 (180deg=-1.13) USER MOD Single : A 11 DC O3' : rot 180:sc= 0 USER MOD Single : B 12 DG O5' : rot 37:sc= 0.0128 USER MOD Single : B 15 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 19 DT C7 :methyl 150:sc= -0.338 (180deg=-0.338) USER MOD Single : B 22 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 9.255 -14.873 -1.582 1.00 0.00 O ATOM 2 C5' DC A 1 7.904 -14.887 -1.168 1.00 0.00 C ATOM 3 C4' DC A 1 6.976 -14.670 -2.368 1.00 0.00 C ATOM 4 O4' DC A 1 5.651 -14.861 -1.900 1.00 0.00 O ATOM 5 C3' DC A 1 7.066 -13.235 -2.909 1.00 0.00 C ATOM 6 O3' DC A 1 7.155 -13.290 -4.323 1.00 0.00 O ATOM 7 C2' DC A 1 5.751 -12.622 -2.433 1.00 0.00 C ATOM 8 C1' DC A 1 4.841 -13.845 -2.457 1.00 0.00 C ATOM 9 N1 DC A 1 3.631 -13.687 -1.602 1.00 0.00 N ATOM 10 C2 DC A 1 2.370 -13.694 -2.205 1.00 0.00 C ATOM 11 O2 DC A 1 2.248 -13.761 -3.426 1.00 0.00 O ATOM 12 N3 DC A 1 1.264 -13.624 -1.409 1.00 0.00 N ATOM 13 C4 DC A 1 1.374 -13.506 -0.077 1.00 0.00 C ATOM 14 N4 DC A 1 0.260 -13.443 0.658 1.00 0.00 N ATOM 15 C5 DC A 1 2.658 -13.471 0.563 1.00 0.00 C ATOM 16 C6 DC A 1 3.746 -13.568 -0.236 1.00 0.00 C ATOM 0 H5' DC A 1 7.737 -14.107 -0.425 1.00 0.00 H new ATOM 0 H5'' DC A 1 7.673 -15.839 -0.689 1.00 0.00 H new ATOM 0 H4' DC A 1 7.259 -15.358 -3.164 1.00 0.00 H new ATOM 0 H3' DC A 1 7.929 -12.660 -2.573 1.00 0.00 H new ATOM 0 H2' DC A 1 5.834 -12.188 -1.437 1.00 0.00 H new ATOM 0 H2'' DC A 1 5.399 -11.832 -3.096 1.00 0.00 H new ATOM 0 HO5' DC A 1 9.837 -15.011 -0.805 1.00 0.00 H new ATOM 0 H1' DC A 1 4.474 -14.039 -3.465 1.00 0.00 H new ATOM 0 H41 DC A 1 0.323 -13.353 1.672 1.00 0.00 H new ATOM 0 H42 DC A 1 -0.653 -13.485 0.205 1.00 0.00 H new ATOM 0 H5 DC A 1 2.752 -13.372 1.634 1.00 0.00 H new ATOM 0 H6 DC A 1 4.730 -13.552 0.210 1.00 0.00 H new ATOM 29 P DG A 2 7.385 -11.969 -5.226 1.00 0.00 P ATOM 30 OP1 DG A 2 8.155 -12.365 -6.426 1.00 0.00 O ATOM 31 OP2 DG A 2 7.896 -10.890 -4.352 1.00 0.00 O ATOM 32 O5' DG A 2 5.892 -11.568 -5.690 1.00 0.00 O ATOM 33 C5' DG A 2 5.219 -12.273 -6.717 1.00 0.00 C ATOM 34 C4' DG A 2 3.889 -11.595 -7.065 1.00 0.00 C ATOM 35 O4' DG A 2 3.002 -11.762 -5.971 1.00 0.00 O ATOM 36 C3' DG A 2 4.053 -10.086 -7.309 1.00 0.00 C ATOM 37 O3' DG A 2 3.272 -9.775 -8.452 1.00 0.00 O ATOM 38 C2' DG A 2 3.483 -9.520 -6.009 1.00 0.00 C ATOM 39 C1' DG A 2 2.394 -10.511 -5.729 1.00 0.00 C ATOM 40 N9 DG A 2 1.833 -10.501 -4.365 1.00 0.00 N ATOM 41 C8 DG A 2 2.475 -10.307 -3.173 1.00 0.00 C ATOM 42 N7 DG A 2 1.716 -10.472 -2.125 1.00 0.00 N ATOM 43 C5 DG A 2 0.466 -10.764 -2.665 1.00 0.00 C ATOM 44 C6 DG A 2 -0.783 -11.012 -2.018 1.00 0.00 C ATOM 45 O6 DG A 2 -1.001 -11.134 -0.817 1.00 0.00 O ATOM 46 N1 DG A 2 -1.840 -11.115 -2.920 1.00 0.00 N ATOM 47 C2 DG A 2 -1.703 -11.038 -4.294 1.00 0.00 C ATOM 48 N2 DG A 2 -2.811 -11.148 -5.032 1.00 0.00 N ATOM 49 N3 DG A 2 -0.521 -10.863 -4.906 1.00 0.00 N ATOM 50 C4 DG A 2 0.518 -10.728 -4.037 1.00 0.00 C ATOM 0 H5' DG A 2 5.036 -13.300 -6.399 1.00 0.00 H new ATOM 0 H5'' DG A 2 5.850 -12.321 -7.604 1.00 0.00 H new ATOM 0 H4' DG A 2 3.510 -12.053 -7.978 1.00 0.00 H new ATOM 0 H3' DG A 2 5.055 -9.705 -7.507 1.00 0.00 H new ATOM 0 H2' DG A 2 4.226 -9.485 -5.212 1.00 0.00 H new ATOM 0 H2'' DG A 2 3.099 -8.507 -6.132 1.00 0.00 H new ATOM 0 H1' DG A 2 1.535 -10.270 -6.355 1.00 0.00 H new ATOM 0 H8 DG A 2 3.519 -10.040 -3.105 1.00 0.00 H new ATOM 0 H1 DG A 2 -2.777 -11.257 -2.542 1.00 0.00 H new ATOM 0 H21 DG A 2 -2.754 -11.097 -6.049 1.00 0.00 H new ATOM 0 H22 DG A 2 -3.714 -11.283 -4.578 1.00 0.00 H new ATOM 62 P DC A 3 3.046 -8.275 -9.008 1.00 0.00 P ATOM 63 OP1 DC A 3 3.267 -8.288 -10.471 1.00 0.00 O ATOM 64 OP2 DC A 3 3.791 -7.319 -8.160 1.00 0.00 O ATOM 65 O5' DC A 3 1.466 -8.075 -8.736 1.00 0.00 O ATOM 66 C5' DC A 3 0.508 -8.884 -9.396 1.00 0.00 C ATOM 67 C4' DC A 3 -0.927 -8.442 -9.090 1.00 0.00 C ATOM 68 O4' DC A 3 -1.167 -8.641 -7.706 1.00 0.00 O ATOM 69 C3' DC A 3 -1.145 -6.958 -9.396 1.00 0.00 C ATOM 70 O3' DC A 3 -2.432 -6.833 -9.983 1.00 0.00 O ATOM 71 C2' DC A 3 -1.064 -6.329 -8.006 1.00 0.00 C ATOM 72 C1' DC A 3 -1.661 -7.439 -7.139 1.00 0.00 C ATOM 73 N1 DC A 3 -1.203 -7.456 -5.720 1.00 0.00 N ATOM 74 C2 DC A 3 -2.123 -7.774 -4.715 1.00 0.00 C ATOM 75 O2 DC A 3 -3.307 -7.974 -4.973 1.00 0.00 O ATOM 76 N3 DC A 3 -1.683 -7.860 -3.425 1.00 0.00 N ATOM 77 C4 DC A 3 -0.392 -7.659 -3.123 1.00 0.00 C ATOM 78 N4 DC A 3 -0.005 -7.748 -1.848 1.00 0.00 N ATOM 79 C5 DC A 3 0.581 -7.404 -4.145 1.00 0.00 C ATOM 80 C6 DC A 3 0.129 -7.314 -5.417 1.00 0.00 C ATOM 0 H5' DC A 3 0.640 -9.922 -9.092 1.00 0.00 H new ATOM 0 H5'' DC A 3 0.678 -8.843 -10.472 1.00 0.00 H new ATOM 0 H4' DC A 3 -1.603 -9.027 -9.713 1.00 0.00 H new ATOM 0 H3' DC A 3 -0.441 -6.493 -10.086 1.00 0.00 H new ATOM 0 H2' DC A 3 -0.039 -6.092 -7.721 1.00 0.00 H new ATOM 0 H2'' DC A 3 -1.636 -5.403 -7.940 1.00 0.00 H new ATOM 0 H1' DC A 3 -2.742 -7.301 -7.123 1.00 0.00 H new ATOM 0 H41 DC A 3 0.973 -7.598 -1.600 1.00 0.00 H new ATOM 0 H42 DC A 3 -0.687 -7.966 -1.122 1.00 0.00 H new ATOM 0 H5 DC A 3 1.629 -7.289 -3.910 1.00 0.00 H new ATOM 0 H6 DC A 3 0.833 -7.126 -6.214 1.00 0.00 H new ATOM 92 P DA A 4 -3.068 -5.412 -10.413 1.00 0.00 P ATOM 93 OP1 DA A 4 -4.026 -5.650 -11.516 1.00 0.00 O ATOM 94 OP2 DA A 4 -1.969 -4.436 -10.591 1.00 0.00 O ATOM 95 O5' DA A 4 -3.904 -4.999 -9.096 1.00 0.00 O ATOM 96 C5' DA A 4 -5.120 -5.644 -8.768 1.00 0.00 C ATOM 97 C4' DA A 4 -5.677 -5.092 -7.454 1.00 0.00 C ATOM 98 O4' DA A 4 -4.925 -5.538 -6.351 1.00 0.00 O ATOM 99 C3' DA A 4 -5.833 -3.571 -7.410 1.00 0.00 C ATOM 100 O3' DA A 4 -7.198 -3.209 -7.235 1.00 0.00 O ATOM 101 C2' DA A 4 -4.998 -3.335 -6.192 1.00 0.00 C ATOM 102 C1' DA A 4 -5.143 -4.572 -5.352 1.00 0.00 C ATOM 103 N9 DA A 4 -4.044 -4.701 -4.400 1.00 0.00 N ATOM 104 C8 DA A 4 -2.733 -4.627 -4.725 1.00 0.00 C ATOM 105 N7 DA A 4 -1.913 -4.753 -3.721 1.00 0.00 N ATOM 106 C5 DA A 4 -2.774 -4.944 -2.641 1.00 0.00 C ATOM 107 C6 DA A 4 -2.557 -5.158 -1.266 1.00 0.00 C ATOM 108 N6 DA A 4 -1.335 -5.239 -0.731 1.00 0.00 N ATOM 109 N1 DA A 4 -3.629 -5.291 -0.463 1.00 0.00 N ATOM 110 C2 DA A 4 -4.850 -5.224 -0.988 1.00 0.00 C ATOM 111 N3 DA A 4 -5.189 -5.041 -2.261 1.00 0.00 N ATOM 112 C4 DA A 4 -4.086 -4.910 -3.047 1.00 0.00 C ATOM 0 H5' DA A 4 -4.957 -6.718 -8.679 1.00 0.00 H new ATOM 0 H5'' DA A 4 -5.845 -5.497 -9.568 1.00 0.00 H new ATOM 0 H4' DA A 4 -6.688 -5.494 -7.395 1.00 0.00 H new ATOM 0 H3' DA A 4 -5.542 -3.004 -8.294 1.00 0.00 H new ATOM 0 H2' DA A 4 -3.955 -3.164 -6.460 1.00 0.00 H new ATOM 0 H2'' DA A 4 -5.337 -2.452 -5.650 1.00 0.00 H new ATOM 0 H1' DA A 4 -6.071 -4.617 -4.782 1.00 0.00 H new ATOM 0 H8 DA A 4 -2.393 -4.475 -5.739 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.226 -5.395 0.271 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.511 -5.145 -1.325 1.00 0.00 H new ATOM 0 H2 DA A 4 -5.669 -5.332 -0.292 1.00 0.00 H new ATOM 124 P DT A 5 -7.681 -1.683 -6.956 1.00 0.00 P ATOM 125 OP1 DT A 5 -9.060 -1.540 -7.474 1.00 0.00 O ATOM 126 OP2 DT A 5 -6.623 -0.764 -7.432 1.00 0.00 O ATOM 127 O5' DT A 5 -7.739 -1.582 -5.339 1.00 0.00 O ATOM 128 C5' DT A 5 -8.737 -2.264 -4.602 1.00 0.00 C ATOM 129 C4' DT A 5 -8.601 -2.060 -3.086 1.00 0.00 C ATOM 130 O4' DT A 5 -7.389 -2.597 -2.628 1.00 0.00 O ATOM 131 C3' DT A 5 -8.713 -0.610 -2.594 1.00 0.00 C ATOM 132 O3' DT A 5 -9.833 -0.542 -1.720 1.00 0.00 O ATOM 133 C2' DT A 5 -7.395 -0.393 -1.860 1.00 0.00 C ATOM 134 C1' DT A 5 -6.968 -1.817 -1.528 1.00 0.00 C ATOM 135 N1 DT A 5 -5.498 -1.897 -1.566 1.00 0.00 N ATOM 136 C2 DT A 5 -4.801 -2.117 -0.390 1.00 0.00 C ATOM 137 O2 DT A 5 -5.345 -2.436 0.662 1.00 0.00 O ATOM 138 N3 DT A 5 -3.429 -1.949 -0.471 1.00 0.00 N ATOM 139 C4 DT A 5 -2.694 -1.772 -1.633 1.00 0.00 C ATOM 140 O4 DT A 5 -1.465 -1.785 -1.580 1.00 0.00 O ATOM 141 C5 DT A 5 -3.504 -1.581 -2.830 1.00 0.00 C ATOM 142 C7 DT A 5 -2.812 -1.324 -4.156 1.00 0.00 C ATOM 143 C6 DT A 5 -4.863 -1.632 -2.751 1.00 0.00 C ATOM 0 H5' DT A 5 -8.684 -3.329 -4.827 1.00 0.00 H new ATOM 0 H5'' DT A 5 -9.720 -1.919 -4.924 1.00 0.00 H new ATOM 0 H4' DT A 5 -9.461 -2.585 -2.670 1.00 0.00 H new ATOM 0 H3' DT A 5 -8.863 0.143 -3.368 1.00 0.00 H new ATOM 0 H2' DT A 5 -6.661 0.116 -2.485 1.00 0.00 H new ATOM 0 H2'' DT A 5 -7.524 0.212 -0.963 1.00 0.00 H new ATOM 0 H1' DT A 5 -7.365 -2.127 -0.561 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.910 -1.956 0.407 1.00 0.00 H new ATOM 0 H71 DT A 5 -3.423 -1.718 -4.968 1.00 0.00 H new ATOM 0 H72 DT A 5 -2.675 -0.251 -4.293 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.840 -1.817 -4.161 1.00 0.00 H new ATOM 0 H6 DT A 5 -5.452 -1.460 -3.640 1.00 0.00 H new ATOM 156 P DA A 6 -10.263 0.796 -0.917 1.00 0.00 P ATOM 157 OP1 DA A 6 -11.660 0.622 -0.462 1.00 0.00 O ATOM 158 OP2 DA A 6 -9.903 1.968 -1.746 1.00 0.00 O ATOM 159 O5' DA A 6 -9.308 0.795 0.391 1.00 0.00 O ATOM 160 C5' DA A 6 -9.393 -0.209 1.388 1.00 0.00 C ATOM 161 C4' DA A 6 -8.385 0.047 2.522 1.00 0.00 C ATOM 162 O4' DA A 6 -7.108 -0.426 2.119 1.00 0.00 O ATOM 163 C3' DA A 6 -8.241 1.529 2.925 1.00 0.00 C ATOM 164 O3' DA A 6 -8.860 1.764 4.180 1.00 0.00 O ATOM 165 C2' DA A 6 -6.739 1.616 2.945 1.00 0.00 C ATOM 166 C1' DA A 6 -6.155 0.249 2.916 1.00 0.00 C ATOM 167 N9 DA A 6 -4.871 0.353 2.184 1.00 0.00 N ATOM 168 C8 DA A 6 -4.733 0.633 0.862 1.00 0.00 C ATOM 169 N7 DA A 6 -3.524 0.765 0.416 1.00 0.00 N ATOM 170 C5 DA A 6 -2.781 0.544 1.556 1.00 0.00 C ATOM 171 C6 DA A 6 -1.400 0.409 1.757 1.00 0.00 C ATOM 172 N6 DA A 6 -0.536 0.376 0.739 1.00 0.00 N ATOM 173 N1 DA A 6 -0.966 0.219 3.014 1.00 0.00 N ATOM 174 C2 DA A 6 -1.858 0.162 3.999 1.00 0.00 C ATOM 175 N3 DA A 6 -3.182 0.231 3.940 1.00 0.00 N ATOM 176 C4 DA A 6 -3.589 0.409 2.662 1.00 0.00 C ATOM 0 H5' DA A 6 -9.203 -1.185 0.942 1.00 0.00 H new ATOM 0 H5'' DA A 6 -10.404 -0.236 1.795 1.00 0.00 H new ATOM 0 H4' DA A 6 -8.772 -0.482 3.393 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.714 2.273 2.283 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.387 2.190 2.088 1.00 0.00 H new ATOM 0 H2'' DA A 6 -6.408 2.144 3.839 1.00 0.00 H new ATOM 0 H1' DA A 6 -5.969 -0.226 3.879 1.00 0.00 H new ATOM 0 H8 DA A 6 -5.590 0.740 0.214 1.00 0.00 H new ATOM 0 H61 DA A 6 0.463 0.277 0.921 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.875 0.450 -0.220 1.00 0.00 H new ATOM 0 H2 DA A 6 -1.445 0.042 4.990 1.00 0.00 H new ATOM 188 P DT A 7 -8.769 3.183 4.958 1.00 0.00 P ATOM 189 OP1 DT A 7 -9.776 3.173 6.042 1.00 0.00 O ATOM 190 OP2 DT A 7 -8.778 4.272 3.956 1.00 0.00 O ATOM 191 O5' DT A 7 -7.307 3.142 5.640 1.00 0.00 O ATOM 192 C5' DT A 7 -6.903 2.045 6.437 1.00 0.00 C ATOM 193 C4' DT A 7 -5.445 2.181 6.886 1.00 0.00 C ATOM 194 O4' DT A 7 -4.608 2.142 5.742 1.00 0.00 O ATOM 195 C3' DT A 7 -5.186 3.510 7.600 1.00 0.00 C ATOM 196 O3' DT A 7 -4.448 3.177 8.765 1.00 0.00 O ATOM 197 C2' DT A 7 -4.377 4.281 6.552 1.00 0.00 C ATOM 198 C1' DT A 7 -3.618 3.145 5.881 1.00 0.00 C ATOM 199 N1 DT A 7 -3.092 3.471 4.539 1.00 0.00 N ATOM 200 C2 DT A 7 -1.734 3.279 4.282 1.00 0.00 C ATOM 201 O2 DT A 7 -0.899 3.055 5.155 1.00 0.00 O ATOM 202 N3 DT A 7 -1.350 3.355 2.955 1.00 0.00 N ATOM 203 C4 DT A 7 -2.179 3.646 1.883 1.00 0.00 C ATOM 204 O4 DT A 7 -1.709 3.667 0.748 1.00 0.00 O ATOM 205 C5 DT A 7 -3.565 3.901 2.251 1.00 0.00 C ATOM 206 C7 DT A 7 -4.588 4.228 1.188 1.00 0.00 C ATOM 207 C6 DT A 7 -3.964 3.809 3.544 1.00 0.00 C ATOM 0 H5' DT A 7 -7.026 1.120 5.873 1.00 0.00 H new ATOM 0 H5'' DT A 7 -7.549 1.973 7.312 1.00 0.00 H new ATOM 0 H4' DT A 7 -5.236 1.363 7.575 1.00 0.00 H new ATOM 0 H3' DT A 7 -6.046 4.097 7.922 1.00 0.00 H new ATOM 0 H2' DT A 7 -5.016 4.821 5.853 1.00 0.00 H new ATOM 0 H2'' DT A 7 -3.709 5.014 7.004 1.00 0.00 H new ATOM 0 H1' DT A 7 -2.741 2.876 6.470 1.00 0.00 H new ATOM 0 H3 DT A 7 -0.367 3.181 2.746 1.00 0.00 H new ATOM 0 H71 DT A 7 -4.100 4.739 0.358 1.00 0.00 H new ATOM 0 H72 DT A 7 -5.046 3.307 0.828 1.00 0.00 H new ATOM 0 H73 DT A 7 -5.357 4.875 1.610 1.00 0.00 H new ATOM 0 H6 DT A 7 -4.996 4.008 3.793 1.00 0.00 H new ATOM 220 P DA A 8 -4.200 4.201 9.986 1.00 0.00 P ATOM 221 OP1 DA A 8 -4.077 3.409 11.229 1.00 0.00 O ATOM 222 OP2 DA A 8 -5.197 5.293 9.904 1.00 0.00 O ATOM 223 O5' DA A 8 -2.746 4.791 9.631 1.00 0.00 O ATOM 224 C5' DA A 8 -2.533 6.178 9.500 1.00 0.00 C ATOM 225 C4' DA A 8 -1.102 6.444 9.037 1.00 0.00 C ATOM 226 O4' DA A 8 -0.904 5.797 7.789 1.00 0.00 O ATOM 227 C3' DA A 8 -0.921 7.949 8.825 1.00 0.00 C ATOM 228 O3' DA A 8 0.252 8.376 9.498 1.00 0.00 O ATOM 229 C2' DA A 8 -0.833 7.991 7.329 1.00 0.00 C ATOM 230 C1' DA A 8 -0.157 6.698 7.010 1.00 0.00 C ATOM 231 N9 DA A 8 -0.305 6.406 5.575 1.00 0.00 N ATOM 232 C8 DA A 8 -1.470 6.448 4.867 1.00 0.00 C ATOM 233 N7 DA A 8 -1.331 6.306 3.579 1.00 0.00 N ATOM 234 C5 DA A 8 0.042 6.136 3.425 1.00 0.00 C ATOM 235 C6 DA A 8 0.858 5.894 2.300 1.00 0.00 C ATOM 236 N6 DA A 8 0.369 5.734 1.064 1.00 0.00 N ATOM 237 N1 DA A 8 2.189 5.812 2.486 1.00 0.00 N ATOM 238 C2 DA A 8 2.684 5.945 3.715 1.00 0.00 C ATOM 239 N3 DA A 8 2.025 6.147 4.853 1.00 0.00 N ATOM 240 C4 DA A 8 0.684 6.226 4.638 1.00 0.00 C ATOM 0 H5' DA A 8 -2.714 6.674 10.454 1.00 0.00 H new ATOM 0 H5'' DA A 8 -3.240 6.597 8.784 1.00 0.00 H new ATOM 0 H4' DA A 8 -0.395 6.076 9.781 1.00 0.00 H new ATOM 0 H3' DA A 8 -1.696 8.610 9.214 1.00 0.00 H new ATOM 0 H2' DA A 8 -1.817 8.060 6.866 1.00 0.00 H new ATOM 0 H2'' DA A 8 -0.256 8.848 6.980 1.00 0.00 H new ATOM 0 H1' DA A 8 0.913 6.672 7.215 1.00 0.00 H new ATOM 0 H8 DA A 8 -2.432 6.588 5.337 1.00 0.00 H new ATOM 0 H61 DA A 8 1.002 5.561 0.283 1.00 0.00 H new ATOM 0 H62 DA A 8 -0.637 5.785 0.903 1.00 0.00 H new ATOM 0 H2 DA A 8 3.759 5.881 3.799 1.00 0.00 H new ATOM 252 P DG A 9 0.763 9.909 9.485 1.00 0.00 P ATOM 253 OP1 DG A 9 1.229 10.252 10.847 1.00 0.00 O ATOM 254 OP2 DG A 9 -0.259 10.752 8.824 1.00 0.00 O ATOM 255 O5' DG A 9 2.047 9.830 8.515 1.00 0.00 O ATOM 256 C5' DG A 9 3.175 9.047 8.855 1.00 0.00 C ATOM 257 C4' DG A 9 4.403 9.404 8.009 1.00 0.00 C ATOM 258 O4' DG A 9 4.180 9.024 6.660 1.00 0.00 O ATOM 259 C3' DG A 9 4.698 10.904 8.014 1.00 0.00 C ATOM 260 O3' DG A 9 6.114 10.997 7.957 1.00 0.00 O ATOM 261 C2' DG A 9 3.964 11.381 6.762 1.00 0.00 C ATOM 262 C1' DG A 9 4.099 10.176 5.834 1.00 0.00 C ATOM 263 N9 DG A 9 2.978 9.900 4.909 1.00 0.00 N ATOM 264 C8 DG A 9 1.631 10.110 5.060 1.00 0.00 C ATOM 265 N7 DG A 9 0.924 9.800 4.007 1.00 0.00 N ATOM 266 C5 DG A 9 1.866 9.342 3.091 1.00 0.00 C ATOM 267 C6 DG A 9 1.715 8.930 1.731 1.00 0.00 C ATOM 268 O6 DG A 9 0.680 8.841 1.077 1.00 0.00 O ATOM 269 N1 DG A 9 2.932 8.604 1.132 1.00 0.00 N ATOM 270 C2 DG A 9 4.150 8.624 1.784 1.00 0.00 C ATOM 271 N2 DG A 9 5.236 8.321 1.069 1.00 0.00 N ATOM 272 N3 DG A 9 4.291 8.998 3.063 1.00 0.00 N ATOM 273 C4 DG A 9 3.118 9.355 3.654 1.00 0.00 C ATOM 0 H5' DG A 9 2.937 7.992 8.720 1.00 0.00 H new ATOM 0 H5'' DG A 9 3.409 9.189 9.910 1.00 0.00 H new ATOM 0 H4' DG A 9 5.248 8.873 8.446 1.00 0.00 H new ATOM 0 H3' DG A 9 4.378 11.501 8.868 1.00 0.00 H new ATOM 0 H2' DG A 9 2.921 11.622 6.968 1.00 0.00 H new ATOM 0 H2'' DG A 9 4.420 12.275 6.338 1.00 0.00 H new ATOM 0 H1' DG A 9 4.966 10.405 5.214 1.00 0.00 H new ATOM 0 H8 DG A 9 1.194 10.497 5.969 1.00 0.00 H new ATOM 0 H1 DG A 9 2.922 8.333 0.149 1.00 0.00 H new ATOM 0 H21 DG A 9 6.155 8.324 1.511 1.00 0.00 H new ATOM 0 H22 DG A 9 5.147 8.087 0.080 1.00 0.00 H new ATOM 285 P DC A 10 6.941 12.352 7.660 1.00 0.00 P ATOM 286 OP1 DC A 10 8.190 12.310 8.453 1.00 0.00 O ATOM 287 OP2 DC A 10 6.036 13.517 7.776 1.00 0.00 O ATOM 288 O5' DC A 10 7.324 12.138 6.103 1.00 0.00 O ATOM 289 C5' DC A 10 8.113 11.030 5.701 1.00 0.00 C ATOM 290 C4' DC A 10 8.474 11.056 4.207 1.00 0.00 C ATOM 291 O4' DC A 10 7.291 10.686 3.534 1.00 0.00 O ATOM 292 C3' DC A 10 8.903 12.430 3.673 1.00 0.00 C ATOM 293 O3' DC A 10 10.311 12.531 3.510 1.00 0.00 O ATOM 294 C2' DC A 10 8.200 12.490 2.325 1.00 0.00 C ATOM 295 C1' DC A 10 7.251 11.315 2.272 1.00 0.00 C ATOM 296 N1 DC A 10 5.854 11.749 2.025 1.00 0.00 N ATOM 297 C2 DC A 10 5.346 11.652 0.731 1.00 0.00 C ATOM 298 O2 DC A 10 6.090 11.410 -0.216 1.00 0.00 O ATOM 299 N3 DC A 10 4.006 11.832 0.538 1.00 0.00 N ATOM 300 C4 DC A 10 3.194 12.112 1.571 1.00 0.00 C ATOM 301 N4 DC A 10 1.881 12.232 1.351 1.00 0.00 N ATOM 302 C5 DC A 10 3.713 12.261 2.902 1.00 0.00 C ATOM 303 C6 DC A 10 5.039 12.091 3.073 1.00 0.00 C ATOM 0 H5' DC A 10 7.574 10.109 5.922 1.00 0.00 H new ATOM 0 H5'' DC A 10 9.030 11.012 6.290 1.00 0.00 H new ATOM 0 H4' DC A 10 9.326 10.395 4.049 1.00 0.00 H new ATOM 0 H3' DC A 10 8.644 13.244 4.350 1.00 0.00 H new ATOM 0 H2' DC A 10 7.658 13.429 2.214 1.00 0.00 H new ATOM 0 H2'' DC A 10 8.922 12.440 1.510 1.00 0.00 H new ATOM 0 H1' DC A 10 7.554 10.652 1.461 1.00 0.00 H new ATOM 0 H41 DC A 10 1.252 12.444 2.125 1.00 0.00 H new ATOM 0 H42 DC A 10 1.509 12.111 0.409 1.00 0.00 H new ATOM 0 H5 DC A 10 3.066 12.500 3.733 1.00 0.00 H new ATOM 0 H6 DC A 10 5.468 12.227 4.055 1.00 0.00 H new ATOM 315 P DC A 11 11.025 13.892 2.979 1.00 0.00 P ATOM 316 OP1 DC A 11 12.486 13.733 3.149 1.00 0.00 O ATOM 317 OP2 DC A 11 10.341 15.045 3.604 1.00 0.00 O ATOM 318 O5' DC A 11 10.717 13.944 1.389 1.00 0.00 O ATOM 319 C5' DC A 11 11.365 13.074 0.477 1.00 0.00 C ATOM 320 C4' DC A 11 10.782 13.197 -0.939 1.00 0.00 C ATOM 321 O4' DC A 11 9.422 12.832 -0.950 1.00 0.00 O ATOM 322 C3' DC A 11 10.899 14.578 -1.579 1.00 0.00 C ATOM 323 O3' DC A 11 12.133 14.724 -2.248 1.00 0.00 O ATOM 324 C2' DC A 11 9.739 14.544 -2.573 1.00 0.00 C ATOM 325 C1' DC A 11 8.786 13.453 -2.057 1.00 0.00 C ATOM 326 N1 DC A 11 7.531 14.028 -1.506 1.00 0.00 N ATOM 327 C2 DC A 11 6.325 13.872 -2.194 1.00 0.00 C ATOM 328 O2 DC A 11 6.287 13.361 -3.312 1.00 0.00 O ATOM 329 N3 DC A 11 5.178 14.306 -1.593 1.00 0.00 N ATOM 330 C4 DC A 11 5.203 14.889 -0.384 1.00 0.00 C ATOM 331 N4 DC A 11 4.049 15.255 0.181 1.00 0.00 N ATOM 332 C5 DC A 11 6.439 15.108 0.313 1.00 0.00 C ATOM 333 C6 DC A 11 7.564 14.659 -0.291 1.00 0.00 C ATOM 0 H5' DC A 11 11.266 12.045 0.823 1.00 0.00 H new ATOM 0 H5'' DC A 11 12.431 13.301 0.453 1.00 0.00 H new ATOM 0 H4' DC A 11 11.394 12.518 -1.533 1.00 0.00 H new ATOM 0 H3' DC A 11 10.860 15.405 -0.870 1.00 0.00 H new ATOM 0 H2' DC A 11 9.238 15.511 -2.624 1.00 0.00 H new ATOM 0 H2'' DC A 11 10.091 14.314 -3.579 1.00 0.00 H new ATOM 0 HO3' DC A 11 12.183 15.616 -2.651 1.00 0.00 H new ATOM 0 H1' DC A 11 8.559 12.783 -2.886 1.00 0.00 H new ATOM 0 H41 DC A 11 4.049 15.699 1.099 1.00 0.00 H new ATOM 0 H42 DC A 11 3.168 15.090 -0.306 1.00 0.00 H new ATOM 0 H5 DC A 11 6.470 15.606 1.271 1.00 0.00 H new ATOM 0 H6 DC A 11 8.515 14.803 0.200 1.00 0.00 H new TER 346 DC A 11 ATOM 347 O5' DG B 12 -5.030 14.102 -6.037 1.00 0.00 O ATOM 348 C5' DG B 12 -4.514 14.623 -7.245 1.00 0.00 C ATOM 349 C4' DG B 12 -3.115 14.064 -7.526 1.00 0.00 C ATOM 350 O4' DG B 12 -2.283 14.446 -6.446 1.00 0.00 O ATOM 351 C3' DG B 12 -3.103 12.531 -7.608 1.00 0.00 C ATOM 352 O3' DG B 12 -2.560 12.148 -8.861 1.00 0.00 O ATOM 353 C2' DG B 12 -2.211 12.137 -6.431 1.00 0.00 C ATOM 354 C1' DG B 12 -1.382 13.387 -6.203 1.00 0.00 C ATOM 355 N9 DG B 12 -0.916 13.512 -4.804 1.00 0.00 N ATOM 356 C8 DG B 12 -1.674 13.650 -3.668 1.00 0.00 C ATOM 357 N7 DG B 12 -0.982 13.818 -2.578 1.00 0.00 N ATOM 358 C5 DG B 12 0.336 13.785 -3.015 1.00 0.00 C ATOM 359 C6 DG B 12 1.546 13.919 -2.271 1.00 0.00 C ATOM 360 O6 DG B 12 1.676 14.099 -1.063 1.00 0.00 O ATOM 361 N1 DG B 12 2.677 13.820 -3.076 1.00 0.00 N ATOM 362 C2 DG B 12 2.650 13.596 -4.440 1.00 0.00 C ATOM 363 N2 DG B 12 3.830 13.471 -5.056 1.00 0.00 N ATOM 364 N3 DG B 12 1.511 13.473 -5.142 1.00 0.00 N ATOM 365 C4 DG B 12 0.391 13.579 -4.374 1.00 0.00 C ATOM 0 H5' DG B 12 -4.471 15.711 -7.188 1.00 0.00 H new ATOM 0 H5'' DG B 12 -5.182 14.373 -8.069 1.00 0.00 H new ATOM 0 H4' DG B 12 -2.774 14.455 -8.485 1.00 0.00 H new ATOM 0 H3' DG B 12 -4.080 12.051 -7.547 1.00 0.00 H new ATOM 0 H2' DG B 12 -2.797 11.874 -5.550 1.00 0.00 H new ATOM 0 H2'' DG B 12 -1.587 11.275 -6.668 1.00 0.00 H new ATOM 0 HO5' DG B 12 -4.304 14.006 -5.386 1.00 0.00 H new ATOM 0 H1' DG B 12 -0.496 13.376 -6.838 1.00 0.00 H new ATOM 0 H8 DG B 12 -2.754 13.622 -3.678 1.00 0.00 H new ATOM 0 H1 DG B 12 3.588 13.920 -2.629 1.00 0.00 H new ATOM 0 H21 DG B 12 3.865 13.305 -6.062 1.00 0.00 H new ATOM 0 H22 DG B 12 4.695 13.542 -4.520 1.00 0.00 H new ATOM 378 P DG B 13 -2.455 10.603 -9.332 1.00 0.00 P ATOM 379 OP1 DG B 13 -2.449 10.575 -10.811 1.00 0.00 O ATOM 380 OP2 DG B 13 -3.461 9.814 -8.587 1.00 0.00 O ATOM 381 O5' DG B 13 -0.992 10.165 -8.815 1.00 0.00 O ATOM 382 C5' DG B 13 0.178 10.743 -9.358 1.00 0.00 C ATOM 383 C4' DG B 13 1.444 10.180 -8.703 1.00 0.00 C ATOM 384 O4' DG B 13 1.441 10.549 -7.333 1.00 0.00 O ATOM 385 C3' DG B 13 1.516 8.650 -8.763 1.00 0.00 C ATOM 386 O3' DG B 13 2.895 8.353 -8.915 1.00 0.00 O ATOM 387 C2' DG B 13 0.971 8.254 -7.389 1.00 0.00 C ATOM 388 C1' DG B 13 1.520 9.380 -6.535 1.00 0.00 C ATOM 389 N9 DG B 13 0.862 9.690 -5.247 1.00 0.00 N ATOM 390 C8 DG B 13 -0.451 9.596 -4.859 1.00 0.00 C ATOM 391 N7 DG B 13 -0.667 9.967 -3.625 1.00 0.00 N ATOM 392 C5 DG B 13 0.593 10.321 -3.151 1.00 0.00 C ATOM 393 C6 DG B 13 1.018 10.757 -1.857 1.00 0.00 C ATOM 394 O6 DG B 13 0.328 10.999 -0.870 1.00 0.00 O ATOM 395 N1 DG B 13 2.401 10.906 -1.772 1.00 0.00 N ATOM 396 C2 DG B 13 3.270 10.726 -2.831 1.00 0.00 C ATOM 397 N2 DG B 13 4.567 10.945 -2.612 1.00 0.00 N ATOM 398 N3 DG B 13 2.870 10.362 -4.055 1.00 0.00 N ATOM 399 C4 DG B 13 1.528 10.164 -4.145 1.00 0.00 C ATOM 0 H5' DG B 13 0.147 11.824 -9.221 1.00 0.00 H new ATOM 0 H5'' DG B 13 0.211 10.558 -10.432 1.00 0.00 H new ATOM 0 H4' DG B 13 2.297 10.585 -9.248 1.00 0.00 H new ATOM 0 H3' DG B 13 0.971 8.142 -9.558 1.00 0.00 H new ATOM 0 H2' DG B 13 -0.118 8.214 -7.371 1.00 0.00 H new ATOM 0 H2'' DG B 13 1.331 7.277 -7.067 1.00 0.00 H new ATOM 0 H1' DG B 13 2.514 9.044 -6.241 1.00 0.00 H new ATOM 0 H8 DG B 13 -1.235 9.247 -5.515 1.00 0.00 H new ATOM 0 H1 DG B 13 2.798 11.165 -0.869 1.00 0.00 H new ATOM 0 H21 DG B 13 5.240 10.823 -3.369 1.00 0.00 H new ATOM 0 H22 DG B 13 4.886 11.235 -1.688 1.00 0.00 H new ATOM 411 P DC B 14 3.500 6.861 -9.059 1.00 0.00 P ATOM 412 OP1 DC B 14 4.227 6.777 -10.345 1.00 0.00 O ATOM 413 OP2 DC B 14 2.454 5.865 -8.736 1.00 0.00 O ATOM 414 O5' DC B 14 4.580 6.876 -7.860 1.00 0.00 O ATOM 415 C5' DC B 14 5.702 7.740 -7.908 1.00 0.00 C ATOM 416 C4' DC B 14 6.526 7.678 -6.617 1.00 0.00 C ATOM 417 O4' DC B 14 5.697 8.119 -5.554 1.00 0.00 O ATOM 418 C3' DC B 14 6.989 6.254 -6.290 1.00 0.00 C ATOM 419 O3' DC B 14 8.337 6.335 -5.857 1.00 0.00 O ATOM 420 C2' DC B 14 6.031 5.857 -5.167 1.00 0.00 C ATOM 421 C1' DC B 14 5.819 7.203 -4.481 1.00 0.00 C ATOM 422 N1 DC B 14 4.550 7.262 -3.701 1.00 0.00 N ATOM 423 C2 DC B 14 4.603 7.545 -2.332 1.00 0.00 C ATOM 424 O2 DC B 14 5.673 7.714 -1.755 1.00 0.00 O ATOM 425 N3 DC B 14 3.433 7.634 -1.632 1.00 0.00 N ATOM 426 C4 DC B 14 2.251 7.463 -2.240 1.00 0.00 C ATOM 427 N4 DC B 14 1.126 7.566 -1.524 1.00 0.00 N ATOM 428 C5 DC B 14 2.173 7.207 -3.647 1.00 0.00 C ATOM 429 C6 DC B 14 3.335 7.122 -4.332 1.00 0.00 C ATOM 0 H5' DC B 14 5.366 8.763 -8.075 1.00 0.00 H new ATOM 0 H5'' DC B 14 6.333 7.469 -8.755 1.00 0.00 H new ATOM 0 H4' DC B 14 7.411 8.301 -6.747 1.00 0.00 H new ATOM 0 H3' DC B 14 6.967 5.535 -7.109 1.00 0.00 H new ATOM 0 H2' DC B 14 5.100 5.436 -5.548 1.00 0.00 H new ATOM 0 H2'' DC B 14 6.465 5.116 -4.496 1.00 0.00 H new ATOM 0 H1' DC B 14 6.633 7.403 -3.784 1.00 0.00 H new ATOM 0 H41 DC B 14 0.220 7.438 -1.976 1.00 0.00 H new ATOM 0 H42 DC B 14 1.174 7.773 -0.526 1.00 0.00 H new ATOM 0 H5 DC B 14 1.221 7.086 -4.142 1.00 0.00 H new ATOM 0 H6 DC B 14 3.310 6.940 -5.396 1.00 0.00 H new ATOM 441 P DT B 15 9.205 5.034 -5.462 1.00 0.00 P ATOM 442 OP1 DT B 15 10.638 5.382 -5.590 1.00 0.00 O ATOM 443 OP2 DT B 15 8.664 3.867 -6.195 1.00 0.00 O ATOM 444 O5' DT B 15 8.867 4.845 -3.898 1.00 0.00 O ATOM 445 C5' DT B 15 9.376 5.729 -2.917 1.00 0.00 C ATOM 446 C4' DT B 15 8.971 5.280 -1.505 1.00 0.00 C ATOM 447 O4' DT B 15 7.599 5.544 -1.351 1.00 0.00 O ATOM 448 C3' DT B 15 9.151 3.778 -1.241 1.00 0.00 C ATOM 449 O3' DT B 15 10.303 3.595 -0.427 1.00 0.00 O ATOM 450 C2' DT B 15 7.849 3.366 -0.563 1.00 0.00 C ATOM 451 C1' DT B 15 7.119 4.682 -0.343 1.00 0.00 C ATOM 452 N1 DT B 15 5.672 4.554 -0.605 1.00 0.00 N ATOM 453 C2 DT B 15 4.771 4.974 0.366 1.00 0.00 C ATOM 454 O2 DT B 15 5.110 5.362 1.481 1.00 0.00 O ATOM 455 N3 DT B 15 3.435 4.930 0.009 1.00 0.00 N ATOM 456 C4 DT B 15 2.928 4.469 -1.198 1.00 0.00 C ATOM 457 O4 DT B 15 1.714 4.477 -1.387 1.00 0.00 O ATOM 458 C5 DT B 15 3.935 4.010 -2.141 1.00 0.00 C ATOM 459 C7 DT B 15 3.502 3.464 -3.487 1.00 0.00 C ATOM 460 C6 DT B 15 5.253 4.066 -1.817 1.00 0.00 C ATOM 0 H5' DT B 15 9.004 6.736 -3.102 1.00 0.00 H new ATOM 0 H5'' DT B 15 10.463 5.772 -2.991 1.00 0.00 H new ATOM 0 H4' DT B 15 9.617 5.820 -0.813 1.00 0.00 H new ATOM 0 H3' DT B 15 9.320 3.169 -2.129 1.00 0.00 H new ATOM 0 H2' DT B 15 7.270 2.688 -1.189 1.00 0.00 H new ATOM 0 H2'' DT B 15 8.035 2.850 0.379 1.00 0.00 H new ATOM 0 H1' DT B 15 7.277 5.019 0.682 1.00 0.00 H new ATOM 0 H3 DT B 15 2.761 5.267 0.696 1.00 0.00 H new ATOM 0 H71 DT B 15 4.277 3.664 -4.227 1.00 0.00 H new ATOM 0 H72 DT B 15 3.343 2.388 -3.409 1.00 0.00 H new ATOM 0 H73 DT B 15 2.574 3.947 -3.794 1.00 0.00 H new ATOM 0 H6 DT B 15 5.987 3.719 -2.529 1.00 0.00 H new ATOM 473 P DA B 16 10.822 2.142 0.062 1.00 0.00 P ATOM 474 OP1 DA B 16 12.210 2.295 0.553 1.00 0.00 O ATOM 475 OP2 DA B 16 10.525 1.160 -1.004 1.00 0.00 O ATOM 476 O5' DA B 16 9.879 1.806 1.330 1.00 0.00 O ATOM 477 C5' DA B 16 10.026 2.460 2.580 1.00 0.00 C ATOM 478 C4' DA B 16 8.846 2.144 3.519 1.00 0.00 C ATOM 479 O4' DA B 16 7.660 2.639 2.947 1.00 0.00 O ATOM 480 C3' DA B 16 8.571 0.667 3.737 1.00 0.00 C ATOM 481 O3' DA B 16 9.115 0.171 4.952 1.00 0.00 O ATOM 482 C2' DA B 16 7.103 0.421 3.499 1.00 0.00 C ATOM 483 C1' DA B 16 6.634 1.839 3.493 1.00 0.00 C ATOM 484 N9 DA B 16 5.434 1.974 2.665 1.00 0.00 N ATOM 485 C8 DA B 16 5.397 1.690 1.340 1.00 0.00 C ATOM 486 N7 DA B 16 4.232 1.866 0.780 1.00 0.00 N ATOM 487 C5 DA B 16 3.423 2.252 1.851 1.00 0.00 C ATOM 488 C6 DA B 16 2.051 2.570 1.960 1.00 0.00 C ATOM 489 N6 DA B 16 1.238 2.678 0.902 1.00 0.00 N ATOM 490 N1 DA B 16 1.538 2.771 3.189 1.00 0.00 N ATOM 491 C2 DA B 16 2.344 2.702 4.248 1.00 0.00 C ATOM 492 N3 DA B 16 3.654 2.470 4.275 1.00 0.00 N ATOM 493 C4 DA B 16 4.140 2.253 3.024 1.00 0.00 C ATOM 0 H5' DA B 16 10.091 3.537 2.424 1.00 0.00 H new ATOM 0 H5'' DA B 16 10.960 2.149 3.048 1.00 0.00 H new ATOM 0 H4' DA B 16 9.128 2.597 4.470 1.00 0.00 H new ATOM 0 H3' DA B 16 9.110 0.061 3.009 1.00 0.00 H new ATOM 0 H2' DA B 16 6.908 -0.092 2.557 1.00 0.00 H new ATOM 0 H2'' DA B 16 6.641 -0.173 4.287 1.00 0.00 H new ATOM 0 H1' DA B 16 6.396 2.150 4.510 1.00 0.00 H new ATOM 0 H8 DA B 16 6.262 1.346 0.792 1.00 0.00 H new ATOM 0 H61 DA B 16 0.254 2.910 1.037 1.00 0.00 H new ATOM 0 H62 DA B 16 1.603 2.528 -0.039 1.00 0.00 H new ATOM 0 H2 DA B 16 1.873 2.854 5.208 1.00 0.00 H new HETATM 505 N1 T41 B 17 3.417 -1.033 4.534 1.00 0.00 N HETATM 506 C2 T41 B 17 2.116 -0.625 4.246 1.00 0.00 C HETATM 507 N3 T41 B 17 1.769 -0.592 2.904 1.00 0.00 N HETATM 508 C4 T41 B 17 2.585 -0.918 1.833 1.00 0.00 C HETATM 509 C5 T41 B 17 3.914 -1.344 2.220 1.00 0.00 C HETATM 510 C5M T41 B 17 4.916 -1.774 1.178 1.00 0.00 C HETATM 511 C6 T41 B 17 4.273 -1.381 3.521 1.00 0.00 C HETATM 512 O2 T41 B 17 1.298 -0.308 5.106 1.00 0.00 O HETATM 513 O4 T41 B 17 2.163 -0.832 0.684 1.00 0.00 O HETATM 514 C1' T41 B 17 3.851 -1.071 5.956 1.00 0.00 C HETATM 515 C2' T41 B 17 4.300 -2.387 6.511 1.00 0.00 C HETATM 516 O2' T41 B 17 5.181 -3.064 5.666 1.00 0.00 O HETATM 517 C3' T41 B 17 5.067 -1.986 7.762 1.00 0.00 C HETATM 518 C4' T41 B 17 5.579 -0.586 7.390 1.00 0.00 C HETATM 519 O3' T41 B 17 4.243 -1.849 8.911 1.00 0.00 O HETATM 520 O4' T41 B 17 4.910 -0.169 6.206 1.00 0.00 O HETATM 521 C5' T41 B 17 7.088 -0.533 7.117 1.00 0.00 C HETATM 522 O5' T41 B 17 7.473 -1.416 6.080 1.00 0.00 O HETATM 523 C6' T41 B 17 4.762 -4.386 5.640 1.00 0.00 C HETATM 524 P T41 B 17 8.956 -1.368 5.438 1.00 0.00 P HETATM 525 O1P T41 B 17 9.930 -1.604 6.526 1.00 0.00 O HETATM 526 O2P T41 B 17 8.965 -2.239 4.241 1.00 0.00 O HETATM 0 H5M3 T41 B 17 4.523 -2.628 0.626 1.00 0.00 H new HETATM 0 H5M2 T41 B 17 5.101 -0.950 0.489 1.00 0.00 H new HETATM 0 H5M1 T41 B 17 5.849 -2.056 1.665 1.00 0.00 H new HETATM 0 H5'2 T41 B 17 7.372 0.485 6.850 1.00 0.00 H new HETATM 0 H5'1 T41 B 17 7.630 -0.786 8.028 1.00 0.00 H new HETATM 0 H2'1 T41 B 17 3.452 -3.054 6.667 1.00 0.00 H new HETATM 0 H6 T41 B 17 5.283 -1.700 3.776 1.00 0.00 H new HETATM 0 H4' T41 B 17 5.379 0.062 8.243 1.00 0.00 H new HETATM 0 H3' T41 B 17 5.820 -2.732 8.018 1.00 0.00 H new HETATM 0 H3 T41 B 17 0.818 -0.298 2.683 1.00 0.00 H new HETATM 0 H13 T41 B 17 4.795 -4.798 6.649 1.00 0.00 H new HETATM 0 H12 T41 B 17 3.741 -4.437 5.261 1.00 0.00 H new HETATM 0 H11 T41 B 17 5.420 -4.963 4.990 1.00 0.00 H new HETATM 0 H1' T41 B 17 2.920 -0.806 6.458 1.00 0.00 H new ATOM 541 P DA B 18 3.553 -3.103 9.660 1.00 0.00 P ATOM 542 OP1 DA B 18 3.462 -2.779 11.101 1.00 0.00 O ATOM 543 OP2 DA B 18 4.236 -4.344 9.232 1.00 0.00 O ATOM 544 O5' DA B 18 2.059 -3.115 9.050 1.00 0.00 O ATOM 545 C5' DA B 18 1.078 -2.174 9.457 1.00 0.00 C ATOM 546 C4' DA B 18 -0.261 -2.505 8.788 1.00 0.00 C ATOM 547 O4' DA B 18 -0.098 -2.346 7.400 1.00 0.00 O ATOM 548 C3' DA B 18 -0.697 -3.953 9.052 1.00 0.00 C ATOM 549 O3' DA B 18 -1.933 -3.918 9.747 1.00 0.00 O ATOM 550 C2' DA B 18 -0.803 -4.512 7.634 1.00 0.00 C ATOM 551 C1' DA B 18 -0.966 -3.271 6.794 1.00 0.00 C ATOM 552 N9 DA B 18 -0.490 -3.420 5.403 1.00 0.00 N ATOM 553 C8 DA B 18 0.795 -3.692 5.005 1.00 0.00 C ATOM 554 N7 DA B 18 0.986 -3.636 3.719 1.00 0.00 N ATOM 555 C5 DA B 18 -0.266 -3.291 3.225 1.00 0.00 C ATOM 556 C6 DA B 18 -0.731 -3.023 1.925 1.00 0.00 C ATOM 557 N6 DA B 18 0.043 -3.018 0.834 1.00 0.00 N ATOM 558 N1 DA B 18 -2.015 -2.676 1.778 1.00 0.00 N ATOM 559 C2 DA B 18 -2.823 -2.595 2.827 1.00 0.00 C ATOM 560 N3 DA B 18 -2.505 -2.822 4.104 1.00 0.00 N ATOM 561 C4 DA B 18 -1.188 -3.171 4.240 1.00 0.00 C ATOM 0 H5' DA B 18 1.392 -1.166 9.186 1.00 0.00 H new ATOM 0 H5'' DA B 18 0.969 -2.193 10.541 1.00 0.00 H new ATOM 0 H4' DA B 18 -1.023 -1.841 9.197 1.00 0.00 H new ATOM 0 H3' DA B 18 -0.034 -4.561 9.668 1.00 0.00 H new ATOM 0 H2' DA B 18 0.087 -5.075 7.354 1.00 0.00 H new ATOM 0 H2'' DA B 18 -1.653 -5.186 7.528 1.00 0.00 H new ATOM 0 H1' DA B 18 -2.021 -3.003 6.747 1.00 0.00 H new ATOM 0 H8 DA B 18 1.584 -3.933 5.702 1.00 0.00 H new ATOM 0 H61 DA B 18 -0.364 -2.815 -0.079 1.00 0.00 H new ATOM 0 H62 DA B 18 1.040 -3.218 0.915 1.00 0.00 H new ATOM 0 H2 DA B 18 -3.847 -2.316 2.627 1.00 0.00 H new ATOM 573 P DT B 19 -2.782 -5.247 10.097 1.00 0.00 P ATOM 574 OP1 DT B 19 -3.601 -4.972 11.299 1.00 0.00 O ATOM 575 OP2 DT B 19 -1.872 -6.414 10.075 1.00 0.00 O ATOM 576 O5' DT B 19 -3.768 -5.350 8.826 1.00 0.00 O ATOM 577 C5' DT B 19 -4.718 -4.336 8.554 1.00 0.00 C ATOM 578 C4' DT B 19 -5.530 -4.669 7.299 1.00 0.00 C ATOM 579 O4' DT B 19 -4.652 -4.563 6.191 1.00 0.00 O ATOM 580 C3' DT B 19 -6.089 -6.101 7.325 1.00 0.00 C ATOM 581 O3' DT B 19 -7.477 -6.059 7.034 1.00 0.00 O ATOM 582 C2' DT B 19 -5.288 -6.792 6.221 1.00 0.00 C ATOM 583 C1' DT B 19 -4.945 -5.632 5.319 1.00 0.00 C ATOM 584 N1 DT B 19 -3.827 -5.857 4.382 1.00 0.00 N ATOM 585 C2 DT B 19 -3.986 -5.678 3.011 1.00 0.00 C ATOM 586 O2 DT B 19 -5.049 -5.355 2.486 1.00 0.00 O ATOM 587 N3 DT B 19 -2.848 -5.889 2.246 1.00 0.00 N ATOM 588 C4 DT B 19 -1.598 -6.269 2.717 1.00 0.00 C ATOM 589 O4 DT B 19 -0.662 -6.406 1.934 1.00 0.00 O ATOM 590 C5 DT B 19 -1.539 -6.466 4.155 1.00 0.00 C ATOM 591 C7 DT B 19 -0.250 -6.939 4.797 1.00 0.00 C ATOM 592 C6 DT B 19 -2.642 -6.241 4.911 1.00 0.00 C ATOM 0 H5' DT B 19 -4.209 -3.382 8.420 1.00 0.00 H new ATOM 0 H5'' DT B 19 -5.388 -4.222 9.406 1.00 0.00 H new ATOM 0 H4' DT B 19 -6.374 -3.982 7.240 1.00 0.00 H new ATOM 0 H3' DT B 19 -5.997 -6.617 8.281 1.00 0.00 H new ATOM 0 H2' DT B 19 -4.397 -7.286 6.610 1.00 0.00 H new ATOM 0 H2'' DT B 19 -5.874 -7.552 5.705 1.00 0.00 H new ATOM 0 H1' DT B 19 -5.789 -5.445 4.654 1.00 0.00 H new ATOM 0 H3 DT B 19 -2.938 -5.752 1.239 1.00 0.00 H new ATOM 0 H71 DT B 19 -0.183 -6.545 5.811 1.00 0.00 H new ATOM 0 H72 DT B 19 -0.238 -8.028 4.830 1.00 0.00 H new ATOM 0 H73 DT B 19 0.599 -6.584 4.213 1.00 0.00 H new ATOM 0 H6 DT B 19 -2.572 -6.374 5.980 1.00 0.00 H new ATOM 605 P DG B 20 -8.395 -7.390 6.981 1.00 0.00 P ATOM 606 OP1 DG B 20 -9.756 -7.028 7.435 1.00 0.00 O ATOM 607 OP2 DG B 20 -7.669 -8.494 7.649 1.00 0.00 O ATOM 608 O5' DG B 20 -8.460 -7.720 5.401 1.00 0.00 O ATOM 609 C5' DG B 20 -9.187 -6.895 4.510 1.00 0.00 C ATOM 610 C4' DG B 20 -9.226 -7.483 3.094 1.00 0.00 C ATOM 611 O4' DG B 20 -7.933 -7.398 2.519 1.00 0.00 O ATOM 612 C3' DG B 20 -9.628 -8.964 3.081 1.00 0.00 C ATOM 613 O3' DG B 20 -10.551 -9.104 2.012 1.00 0.00 O ATOM 614 C2' DG B 20 -8.285 -9.657 2.848 1.00 0.00 C ATOM 615 C1' DG B 20 -7.631 -8.646 1.922 1.00 0.00 C ATOM 616 N9 DG B 20 -6.162 -8.727 1.825 1.00 0.00 N ATOM 617 C8 DG B 20 -5.263 -8.967 2.824 1.00 0.00 C ATOM 618 N7 DG B 20 -4.015 -8.930 2.446 1.00 0.00 N ATOM 619 C5 DG B 20 -4.093 -8.660 1.082 1.00 0.00 C ATOM 620 C6 DG B 20 -3.059 -8.551 0.103 1.00 0.00 C ATOM 621 O6 DG B 20 -1.845 -8.571 0.283 1.00 0.00 O ATOM 622 N1 DG B 20 -3.558 -8.408 -1.190 1.00 0.00 N ATOM 623 C2 DG B 20 -4.904 -8.335 -1.500 1.00 0.00 C ATOM 624 N2 DG B 20 -5.237 -8.219 -2.788 1.00 0.00 N ATOM 625 N3 DG B 20 -5.875 -8.385 -0.576 1.00 0.00 N ATOM 626 C4 DG B 20 -5.406 -8.556 0.690 1.00 0.00 C ATOM 0 H5' DG B 20 -8.734 -5.904 4.480 1.00 0.00 H new ATOM 0 H5'' DG B 20 -10.205 -6.769 4.880 1.00 0.00 H new ATOM 0 H4' DG B 20 -9.967 -6.911 2.536 1.00 0.00 H new ATOM 0 H3' DG B 20 -10.112 -9.373 3.968 1.00 0.00 H new ATOM 0 H2' DG B 20 -7.724 -9.802 3.771 1.00 0.00 H new ATOM 0 H2'' DG B 20 -8.396 -10.637 2.385 1.00 0.00 H new ATOM 0 H1' DG B 20 -8.000 -8.815 0.910 1.00 0.00 H new ATOM 0 H8 DG B 20 -5.560 -9.170 3.842 1.00 0.00 H new ATOM 0 H1 DG B 20 -2.888 -8.354 -1.957 1.00 0.00 H new ATOM 0 H21 DG B 20 -6.219 -8.162 -3.058 1.00 0.00 H new ATOM 0 H22 DG B 20 -4.509 -8.187 -3.502 1.00 0.00 H new ATOM 638 P DC B 21 -11.136 -10.516 1.493 1.00 0.00 P ATOM 639 OP1 DC B 21 -12.574 -10.338 1.195 1.00 0.00 O ATOM 640 OP2 DC B 21 -10.701 -11.597 2.405 1.00 0.00 O ATOM 641 O5' DC B 21 -10.345 -10.670 0.094 1.00 0.00 O ATOM 642 C5' DC B 21 -10.494 -9.701 -0.929 1.00 0.00 C ATOM 643 C4' DC B 21 -9.791 -10.114 -2.227 1.00 0.00 C ATOM 644 O4' DC B 21 -8.396 -10.058 -1.983 1.00 0.00 O ATOM 645 C3' DC B 21 -10.142 -11.548 -2.649 1.00 0.00 C ATOM 646 O3' DC B 21 -10.324 -11.567 -4.056 1.00 0.00 O ATOM 647 C2' DC B 21 -8.899 -12.315 -2.205 1.00 0.00 C ATOM 648 C1' DC B 21 -7.809 -11.268 -2.421 1.00 0.00 C ATOM 649 N1 DC B 21 -6.619 -11.496 -1.559 1.00 0.00 N ATOM 650 C2 DC B 21 -5.345 -11.519 -2.133 1.00 0.00 C ATOM 651 O2 DC B 21 -5.186 -11.433 -3.348 1.00 0.00 O ATOM 652 N3 DC B 21 -4.263 -11.639 -1.311 1.00 0.00 N ATOM 653 C4 DC B 21 -4.408 -11.740 0.018 1.00 0.00 C ATOM 654 N4 DC B 21 -3.315 -11.829 0.780 1.00 0.00 N ATOM 655 C5 DC B 21 -5.705 -11.685 0.629 1.00 0.00 C ATOM 656 C6 DC B 21 -6.768 -11.562 -0.196 1.00 0.00 C ATOM 0 H5' DC B 21 -10.089 -8.749 -0.586 1.00 0.00 H new ATOM 0 H5'' DC B 21 -11.554 -9.544 -1.127 1.00 0.00 H new ATOM 0 H4' DC B 21 -10.110 -9.444 -3.025 1.00 0.00 H new ATOM 0 H3' DC B 21 -11.055 -11.965 -2.224 1.00 0.00 H new ATOM 0 H2' DC B 21 -8.962 -12.634 -1.165 1.00 0.00 H new ATOM 0 H2'' DC B 21 -8.733 -13.211 -2.803 1.00 0.00 H new ATOM 0 H1' DC B 21 -7.478 -11.285 -3.459 1.00 0.00 H new ATOM 0 H41 DC B 21 -3.405 -11.907 1.793 1.00 0.00 H new ATOM 0 H42 DC B 21 -2.391 -11.819 0.349 1.00 0.00 H new ATOM 0 H5 DC B 21 -5.826 -11.739 1.701 1.00 0.00 H new ATOM 0 H6 DC B 21 -7.760 -11.514 0.228 1.00 0.00 H new ATOM 668 P DG B 22 -10.705 -12.913 -4.867 1.00 0.00 P ATOM 669 OP1 DG B 22 -11.489 -12.526 -6.061 1.00 0.00 O ATOM 670 OP2 DG B 22 -11.257 -13.903 -3.915 1.00 0.00 O ATOM 671 O5' DG B 22 -9.263 -13.440 -5.359 1.00 0.00 O ATOM 672 C5' DG B 22 -8.555 -12.774 -6.388 1.00 0.00 C ATOM 673 C4' DG B 22 -7.205 -13.449 -6.638 1.00 0.00 C ATOM 674 O4' DG B 22 -6.429 -13.322 -5.460 1.00 0.00 O ATOM 675 C3' DG B 22 -7.335 -14.953 -6.928 1.00 0.00 C ATOM 676 O3' DG B 22 -6.725 -15.261 -8.164 1.00 0.00 O ATOM 677 C2' DG B 22 -6.558 -15.600 -5.789 1.00 0.00 C ATOM 678 C1' DG B 22 -5.624 -14.477 -5.383 1.00 0.00 C ATOM 679 N9 DG B 22 -5.089 -14.596 -4.008 1.00 0.00 N ATOM 680 C8 DG B 22 -5.764 -14.770 -2.825 1.00 0.00 C ATOM 681 N7 DG B 22 -4.999 -14.769 -1.769 1.00 0.00 N ATOM 682 C5 DG B 22 -3.720 -14.584 -2.283 1.00 0.00 C ATOM 683 C6 DG B 22 -2.464 -14.462 -1.613 1.00 0.00 C ATOM 684 O6 DG B 22 -2.243 -14.489 -0.405 1.00 0.00 O ATOM 685 N1 DG B 22 -1.401 -14.296 -2.499 1.00 0.00 N ATOM 686 C2 DG B 22 -1.532 -14.247 -3.874 1.00 0.00 C ATOM 687 N2 DG B 22 -0.420 -14.072 -4.593 1.00 0.00 N ATOM 688 N3 DG B 22 -2.714 -14.332 -4.503 1.00 0.00 N ATOM 689 C4 DG B 22 -3.765 -14.495 -3.655 1.00 0.00 C ATOM 0 H5' DG B 22 -8.400 -11.730 -6.114 1.00 0.00 H new ATOM 0 H5'' DG B 22 -9.145 -12.779 -7.304 1.00 0.00 H new ATOM 0 H4' DG B 22 -6.754 -12.967 -7.506 1.00 0.00 H new ATOM 0 H3' DG B 22 -8.369 -15.291 -6.990 1.00 0.00 H new ATOM 0 H2' DG B 22 -7.209 -15.907 -4.971 1.00 0.00 H new ATOM 0 H2'' DG B 22 -6.015 -16.487 -6.115 1.00 0.00 H new ATOM 0 HO3' DG B 22 -6.811 -16.221 -8.341 1.00 0.00 H new ATOM 0 H1' DG B 22 -4.746 -14.475 -6.028 1.00 0.00 H new ATOM 0 H8 DG B 22 -6.835 -14.897 -2.774 1.00 0.00 H new ATOM 0 H1 DG B 22 -0.464 -14.205 -2.107 1.00 0.00 H new ATOM 0 H21 DG B 22 -0.472 -14.030 -5.611 1.00 0.00 H new ATOM 0 H22 DG B 22 0.481 -13.980 -4.124 1.00 0.00 H new TER 702 DG B 22