USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 158 hydrogens (22 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 4 DT C7 :methyl 150:sc= -0.503 (180deg=-0.503) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -124:sc= 0.532 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -120:sc= 0.535 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -8.277 -1.401 -9.733 1.00 0.00 O ATOM 2 C5' DC A 1 -8.640 -1.111 -8.396 1.00 0.00 C ATOM 3 C4' DC A 1 -9.701 -2.069 -7.847 1.00 0.00 C ATOM 4 O4' DC A 1 -9.104 -3.330 -7.581 1.00 0.00 O ATOM 5 C3' DC A 1 -10.184 -1.528 -6.504 1.00 0.00 C ATOM 6 O3' DC A 1 -11.441 -2.094 -6.196 1.00 0.00 O ATOM 7 C2' DC A 1 -9.084 -2.071 -5.613 1.00 0.00 C ATOM 8 C1' DC A 1 -8.940 -3.477 -6.183 1.00 0.00 C ATOM 9 N1 DC A 1 -7.623 -4.059 -5.855 1.00 0.00 N ATOM 10 C2 DC A 1 -7.569 -5.401 -5.503 1.00 0.00 C ATOM 11 O2 DC A 1 -8.573 -6.110 -5.537 1.00 0.00 O ATOM 12 N3 DC A 1 -6.389 -5.920 -5.057 1.00 0.00 N ATOM 13 C4 DC A 1 -5.293 -5.156 -4.996 1.00 0.00 C ATOM 14 N4 DC A 1 -4.212 -5.640 -4.393 1.00 0.00 N ATOM 15 C5 DC A 1 -5.323 -3.780 -5.369 1.00 0.00 C ATOM 16 C6 DC A 1 -6.504 -3.277 -5.790 1.00 0.00 C ATOM 0 H5' DC A 1 -9.016 -0.089 -8.340 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.753 -1.159 -7.765 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.512 -2.163 -8.569 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.331 -0.450 -6.432 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.163 -1.494 -5.692 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.367 -2.077 -4.560 1.00 0.00 H new ATOM 0 HO5' DC A 1 -7.599 -0.760 -10.034 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.676 -4.160 -5.760 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.365 -5.075 -4.335 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.230 -6.576 -3.989 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.437 -3.165 -5.317 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.565 -2.239 -6.080 1.00 0.00 H new ATOM 29 P DG A 2 -12.254 -1.709 -4.855 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.372 -1.914 -3.687 1.00 0.00 O ATOM 31 OP2 DG A 2 -13.547 -2.427 -4.911 1.00 0.00 O ATOM 32 O5' DG A 2 -12.579 -0.132 -5.025 1.00 0.00 O ATOM 33 C5' DG A 2 -11.579 0.862 -5.163 1.00 0.00 C ATOM 34 C4' DG A 2 -10.765 1.069 -3.884 1.00 0.00 C ATOM 35 O4' DG A 2 -9.637 0.222 -3.876 1.00 0.00 O ATOM 36 C3' DG A 2 -10.238 2.497 -3.765 1.00 0.00 C ATOM 37 O3' DG A 2 -10.776 3.031 -2.576 1.00 0.00 O ATOM 38 C2' DG A 2 -8.727 2.312 -3.674 1.00 0.00 C ATOM 39 C1' DG A 2 -8.614 0.883 -3.169 1.00 0.00 C ATOM 40 N9 DG A 2 -7.325 0.279 -3.541 1.00 0.00 N ATOM 41 C8 DG A 2 -6.765 0.203 -4.784 1.00 0.00 C ATOM 42 N7 DG A 2 -5.681 -0.518 -4.846 1.00 0.00 N ATOM 43 C5 DG A 2 -5.495 -0.937 -3.530 1.00 0.00 C ATOM 44 C6 DG A 2 -4.481 -1.758 -2.949 1.00 0.00 C ATOM 45 O6 DG A 2 -3.528 -2.308 -3.503 1.00 0.00 O ATOM 46 N1 DG A 2 -4.650 -1.922 -1.584 1.00 0.00 N ATOM 47 C2 DG A 2 -5.705 -1.413 -0.861 1.00 0.00 C ATOM 48 N2 DG A 2 -5.748 -1.620 0.448 1.00 0.00 N ATOM 49 N3 DG A 2 -6.662 -0.653 -1.395 1.00 0.00 N ATOM 50 C4 DG A 2 -6.499 -0.452 -2.727 1.00 0.00 C ATOM 0 H5' DG A 2 -12.047 1.805 -5.446 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.907 0.584 -5.975 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.439 0.849 -3.056 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.500 3.169 -4.582 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.241 2.443 -4.641 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.269 3.025 -2.988 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.689 0.823 -2.083 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.186 0.700 -5.646 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.943 -2.457 -1.079 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.523 -1.249 0.998 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.006 -2.150 0.905 1.00 0.00 H new ATOM 62 P DA A 3 -10.268 4.427 -1.966 1.00 0.00 P ATOM 63 OP1 DA A 3 -11.368 5.020 -1.174 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.621 5.209 -3.042 1.00 0.00 O ATOM 65 O5' DA A 3 -9.135 3.919 -0.948 1.00 0.00 O ATOM 66 C5' DA A 3 -9.515 3.264 0.246 1.00 0.00 C ATOM 67 C4' DA A 3 -8.335 3.190 1.212 1.00 0.00 C ATOM 68 O4' DA A 3 -7.402 2.191 0.831 1.00 0.00 O ATOM 69 C3' DA A 3 -7.634 4.540 1.256 1.00 0.00 C ATOM 70 O3' DA A 3 -7.660 4.993 2.588 1.00 0.00 O ATOM 71 C2' DA A 3 -6.249 4.191 0.735 1.00 0.00 C ATOM 72 C1' DA A 3 -6.094 2.708 0.973 1.00 0.00 C ATOM 73 N9 DA A 3 -5.259 2.201 -0.121 1.00 0.00 N ATOM 74 C8 DA A 3 -5.313 2.627 -1.415 1.00 0.00 C ATOM 75 N7 DA A 3 -4.404 2.115 -2.196 1.00 0.00 N ATOM 76 C5 DA A 3 -3.702 1.275 -1.335 1.00 0.00 C ATOM 77 C6 DA A 3 -2.579 0.454 -1.515 1.00 0.00 C ATOM 78 N6 DA A 3 -1.963 0.359 -2.691 1.00 0.00 N ATOM 79 N1 DA A 3 -2.106 -0.244 -0.472 1.00 0.00 N ATOM 80 C2 DA A 3 -2.717 -0.134 0.706 1.00 0.00 C ATOM 81 N3 DA A 3 -3.760 0.627 1.015 1.00 0.00 N ATOM 82 C4 DA A 3 -4.218 1.310 -0.066 1.00 0.00 C ATOM 0 H5' DA A 3 -9.871 2.259 0.019 1.00 0.00 H new ATOM 0 H5'' DA A 3 -10.343 3.798 0.713 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.724 2.929 2.196 1.00 0.00 H new ATOM 0 H3' DA A 3 -8.073 5.348 0.671 1.00 0.00 H new ATOM 0 H2' DA A 3 -6.156 4.431 -0.324 1.00 0.00 H new ATOM 0 H2'' DA A 3 -5.478 4.756 1.259 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.654 2.448 1.936 1.00 0.00 H new ATOM 0 H8 DA A 3 -6.051 3.333 -1.765 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.148 -0.246 -2.793 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.306 0.891 -3.491 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.315 -0.737 1.507 1.00 0.00 H new ATOM 94 P DT A 4 -6.730 6.199 3.084 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.295 6.765 4.328 1.00 0.00 O ATOM 96 OP2 DT A 4 -6.410 7.074 1.934 1.00 0.00 O ATOM 97 O5' DT A 4 -5.438 5.338 3.454 1.00 0.00 O ATOM 98 C5' DT A 4 -5.548 4.295 4.399 1.00 0.00 C ATOM 99 C4' DT A 4 -4.182 3.651 4.572 1.00 0.00 C ATOM 100 O4' DT A 4 -3.812 2.964 3.389 1.00 0.00 O ATOM 101 C3' DT A 4 -3.180 4.779 4.789 1.00 0.00 C ATOM 102 O3' DT A 4 -2.548 4.635 6.041 1.00 0.00 O ATOM 103 C2' DT A 4 -2.224 4.600 3.629 1.00 0.00 C ATOM 104 C1' DT A 4 -2.425 3.159 3.233 1.00 0.00 C ATOM 105 N1 DT A 4 -2.010 3.073 1.831 1.00 0.00 N ATOM 106 C2 DT A 4 -0.868 2.349 1.535 1.00 0.00 C ATOM 107 O2 DT A 4 -0.265 1.679 2.367 1.00 0.00 O ATOM 108 N3 DT A 4 -0.416 2.453 0.237 1.00 0.00 N ATOM 109 C4 DT A 4 -0.952 3.240 -0.758 1.00 0.00 C ATOM 110 O4 DT A 4 -0.432 3.269 -1.869 1.00 0.00 O ATOM 111 C5 DT A 4 -2.128 3.985 -0.351 1.00 0.00 C ATOM 112 C7 DT A 4 -2.839 4.878 -1.334 1.00 0.00 C ATOM 113 C6 DT A 4 -2.613 3.878 0.905 1.00 0.00 C ATOM 0 H5' DT A 4 -6.275 3.556 4.063 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.906 4.684 5.352 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.202 2.949 5.406 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.619 5.777 4.810 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.456 5.279 2.808 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.193 4.796 3.923 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.869 2.416 3.805 1.00 0.00 H new ATOM 0 H3 DT A 4 0.398 1.890 -0.012 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.899 4.922 -1.085 1.00 0.00 H new ATOM 0 H72 DT A 4 -2.414 5.881 -1.288 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.719 4.479 -2.341 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.493 4.439 1.183 1.00 0.00 H new ATOM 126 P DC A 5 -1.336 5.594 6.490 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.448 5.848 7.942 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.237 6.725 5.540 1.00 0.00 O ATOM 129 O5' DC A 5 -0.077 4.627 6.248 1.00 0.00 O ATOM 130 C5' DC A 5 0.013 3.428 6.989 1.00 0.00 C ATOM 131 C4' DC A 5 1.419 2.828 6.968 1.00 0.00 C ATOM 132 O4' DC A 5 1.745 2.358 5.676 1.00 0.00 O ATOM 133 C3' DC A 5 2.445 3.882 7.358 1.00 0.00 C ATOM 134 O3' DC A 5 3.538 3.246 7.973 1.00 0.00 O ATOM 135 C2' DC A 5 2.822 4.449 5.998 1.00 0.00 C ATOM 136 C1' DC A 5 2.672 3.240 5.076 1.00 0.00 C ATOM 137 N1 DC A 5 2.160 3.622 3.742 1.00 0.00 N ATOM 138 C2 DC A 5 2.635 2.929 2.642 1.00 0.00 C ATOM 139 O2 DC A 5 3.299 1.904 2.775 1.00 0.00 O ATOM 140 N3 DC A 5 2.444 3.461 1.402 1.00 0.00 N ATOM 141 C4 DC A 5 1.665 4.535 1.248 1.00 0.00 C ATOM 142 N4 DC A 5 1.589 5.074 0.036 1.00 0.00 N ATOM 143 C5 DC A 5 0.958 5.114 2.352 1.00 0.00 C ATOM 144 C6 DC A 5 1.261 4.640 3.584 1.00 0.00 C ATOM 0 H5' DC A 5 -0.694 2.702 6.586 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.281 3.620 8.021 1.00 0.00 H new ATOM 0 H4' DC A 5 1.435 2.000 7.677 1.00 0.00 H new ATOM 0 H3' DC A 5 2.100 4.642 8.059 1.00 0.00 H new ATOM 0 H2' DC A 5 2.164 5.267 5.704 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.839 4.840 5.990 1.00 0.00 H new ATOM 0 H1' DC A 5 3.650 2.779 4.940 1.00 0.00 H new ATOM 0 H41 DC A 5 1.004 5.895 -0.121 1.00 0.00 H new ATOM 0 H42 DC A 5 2.115 4.667 -0.737 1.00 0.00 H new ATOM 0 H5 DC A 5 0.220 5.890 2.209 1.00 0.00 H new ATOM 0 H6 DC A 5 0.786 5.072 4.453 1.00 0.00 H new ATOM 156 P DG A 6 4.538 4.077 8.916 1.00 0.00 P ATOM 157 OP1 DG A 6 3.820 4.373 10.175 1.00 0.00 O ATOM 158 OP2 DG A 6 5.126 5.190 8.139 1.00 0.00 O ATOM 159 O5' DG A 6 5.673 2.983 9.241 1.00 0.00 O ATOM 160 C5' DG A 6 6.223 2.150 8.236 1.00 0.00 C ATOM 161 C4' DG A 6 7.196 2.882 7.311 1.00 0.00 C ATOM 162 O4' DG A 6 6.552 3.661 6.328 1.00 0.00 O ATOM 163 C3' DG A 6 8.110 3.817 8.076 1.00 0.00 C ATOM 164 O3' DG A 6 9.426 3.312 8.101 1.00 0.00 O ATOM 165 C2' DG A 6 8.062 5.109 7.285 1.00 0.00 C ATOM 166 C1' DG A 6 7.499 4.643 5.962 1.00 0.00 C ATOM 167 N9 DG A 6 6.846 5.759 5.267 1.00 0.00 N ATOM 168 C8 DG A 6 5.563 6.181 5.436 1.00 0.00 C ATOM 169 N7 DG A 6 5.129 6.985 4.507 1.00 0.00 N ATOM 170 C5 DG A 6 6.240 7.141 3.679 1.00 0.00 C ATOM 171 C6 DG A 6 6.369 7.781 2.412 1.00 0.00 C ATOM 172 O6 DG A 6 5.488 8.286 1.715 1.00 0.00 O ATOM 173 N1 DG A 6 7.663 7.736 1.927 1.00 0.00 N ATOM 174 C2 DG A 6 8.715 7.124 2.563 1.00 0.00 C ATOM 175 N2 DG A 6 9.924 7.255 2.024 1.00 0.00 N ATOM 176 N3 DG A 6 8.583 6.414 3.688 1.00 0.00 N ATOM 177 C4 DG A 6 7.319 6.454 4.185 1.00 0.00 C ATOM 0 H5' DG A 6 5.414 1.728 7.640 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.740 1.315 8.709 1.00 0.00 H new ATOM 0 H4' DG A 6 7.763 2.083 6.834 1.00 0.00 H new ATOM 0 H3' DG A 6 7.803 3.944 9.114 1.00 0.00 H new ATOM 0 H2' DG A 6 7.425 5.855 7.760 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.049 5.557 7.174 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.004 3.929 8.597 1.00 0.00 H new ATOM 0 H1' DG A 6 8.261 4.260 5.284 1.00 0.00 H new ATOM 0 H8 DG A 6 4.954 5.874 6.273 1.00 0.00 H new ATOM 0 H1 DG A 6 7.850 8.190 1.033 1.00 0.00 H new ATOM 0 H21 DG A 6 10.730 6.815 2.467 1.00 0.00 H new ATOM 0 H22 DG A 6 10.045 7.795 1.167 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 9.632 8.225 -6.265 1.00 0.00 O ATOM 191 C5' DC B 1 9.886 6.874 -5.927 1.00 0.00 C ATOM 192 C4' DC B 1 11.049 6.716 -4.945 1.00 0.00 C ATOM 193 O4' DC B 1 10.644 7.135 -3.655 1.00 0.00 O ATOM 194 C3' DC B 1 11.368 5.233 -4.811 1.00 0.00 C ATOM 195 O3' DC B 1 12.625 5.087 -4.186 1.00 0.00 O ATOM 196 C2' DC B 1 10.235 4.823 -3.883 1.00 0.00 C ATOM 197 C1' DC B 1 10.188 6.012 -2.920 1.00 0.00 C ATOM 198 N1 DC B 1 8.828 6.274 -2.397 1.00 0.00 N ATOM 199 C2 DC B 1 8.700 7.100 -1.287 1.00 0.00 C ATOM 200 O2 DC B 1 9.684 7.586 -0.732 1.00 0.00 O ATOM 201 N3 DC B 1 7.458 7.339 -0.778 1.00 0.00 N ATOM 202 C4 DC B 1 6.374 6.803 -1.349 1.00 0.00 C ATOM 203 N4 DC B 1 5.199 6.948 -0.745 1.00 0.00 N ATOM 204 C5 DC B 1 6.481 5.954 -2.489 1.00 0.00 C ATOM 205 C6 DC B 1 7.720 5.719 -2.975 1.00 0.00 C ATOM 0 H5' DC B 1 10.105 6.312 -6.835 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.987 6.438 -5.491 1.00 0.00 H new ATOM 0 H4' DC B 1 11.896 7.298 -5.307 1.00 0.00 H new ATOM 0 H3' DC B 1 11.429 4.658 -5.735 1.00 0.00 H new ATOM 0 H2' DC B 1 9.294 4.690 -4.417 1.00 0.00 H new ATOM 0 H2'' DC B 1 10.445 3.885 -3.368 1.00 0.00 H new ATOM 0 HO5' DC B 1 8.882 8.269 -6.895 1.00 0.00 H new ATOM 0 H1' DC B 1 10.809 5.801 -2.049 1.00 0.00 H new ATOM 0 H41 DC B 1 4.358 6.548 -1.162 1.00 0.00 H new ATOM 0 H42 DC B 1 5.138 7.459 0.135 1.00 0.00 H new ATOM 0 H5 DC B 1 5.606 5.516 -2.946 1.00 0.00 H new ATOM 0 H6 DC B 1 7.837 5.080 -3.838 1.00 0.00 H new ATOM 218 P DG B 2 13.472 3.724 -4.313 1.00 0.00 P ATOM 219 OP1 DG B 2 14.684 3.859 -3.477 1.00 0.00 O ATOM 220 OP2 DG B 2 13.597 3.393 -5.750 1.00 0.00 O ATOM 221 O5' DG B 2 12.509 2.641 -3.625 1.00 0.00 O ATOM 222 C5' DG B 2 11.730 1.774 -4.418 1.00 0.00 C ATOM 223 C4' DG B 2 10.781 0.996 -3.516 1.00 0.00 C ATOM 224 O4' DG B 2 9.717 1.832 -3.103 1.00 0.00 O ATOM 225 C3' DG B 2 10.160 -0.203 -4.232 1.00 0.00 C ATOM 226 O3' DG B 2 10.529 -1.362 -3.518 1.00 0.00 O ATOM 227 C2' DG B 2 8.665 0.068 -4.136 1.00 0.00 C ATOM 228 C1' DG B 2 8.592 0.999 -2.940 1.00 0.00 C ATOM 229 N9 DG B 2 7.359 1.801 -2.972 1.00 0.00 N ATOM 230 C8 DG B 2 6.884 2.598 -3.975 1.00 0.00 C ATOM 231 N7 DG B 2 5.812 3.272 -3.661 1.00 0.00 N ATOM 232 C5 DG B 2 5.551 2.880 -2.348 1.00 0.00 C ATOM 233 C6 DG B 2 4.548 3.304 -1.424 1.00 0.00 C ATOM 234 O6 DG B 2 3.724 4.214 -1.548 1.00 0.00 O ATOM 235 N1 DG B 2 4.570 2.569 -0.248 1.00 0.00 N ATOM 236 C2 DG B 2 5.543 1.651 0.077 1.00 0.00 C ATOM 237 N2 DG B 2 5.468 1.009 1.235 1.00 0.00 N ATOM 238 N3 DG B 2 6.536 1.313 -0.745 1.00 0.00 N ATOM 239 C4 DG B 2 6.476 1.951 -1.938 1.00 0.00 C ATOM 0 H5' DG B 2 12.373 1.088 -4.969 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.166 2.344 -5.156 1.00 0.00 H new ATOM 0 H4' DG B 2 11.371 0.646 -2.669 1.00 0.00 H new ATOM 0 H3' DG B 2 10.473 -0.343 -5.267 1.00 0.00 H new ATOM 0 H2' DG B 2 8.275 0.534 -5.041 1.00 0.00 H new ATOM 0 H2'' DG B 2 8.093 -0.846 -3.977 1.00 0.00 H new ATOM 0 H1' DG B 2 8.583 0.463 -1.991 1.00 0.00 H new ATOM 0 H8 DG B 2 7.355 2.664 -4.944 1.00 0.00 H new ATOM 0 H1 DG B 2 3.815 2.719 0.421 1.00 0.00 H new ATOM 0 H21 DG B 2 6.183 0.327 1.487 1.00 0.00 H new ATOM 0 H22 DG B 2 4.695 1.198 1.874 1.00 0.00 H new ATOM 251 P DA B 3 9.877 -2.798 -3.835 1.00 0.00 P ATOM 252 OP1 DA B 3 10.857 -3.846 -3.474 1.00 0.00 O ATOM 253 OP2 DA B 3 9.287 -2.767 -5.191 1.00 0.00 O ATOM 254 O5' DA B 3 8.688 -2.835 -2.759 1.00 0.00 O ATOM 255 C5' DA B 3 9.003 -2.893 -1.384 1.00 0.00 C ATOM 256 C4' DA B 3 7.763 -3.229 -0.564 1.00 0.00 C ATOM 257 O4' DA B 3 6.870 -2.137 -0.502 1.00 0.00 O ATOM 258 C3' DA B 3 7.027 -4.420 -1.164 1.00 0.00 C ATOM 259 O3' DA B 3 7.134 -5.459 -0.220 1.00 0.00 O ATOM 260 C2' DA B 3 5.626 -3.883 -1.418 1.00 0.00 C ATOM 261 C1' DA B 3 5.546 -2.624 -0.577 1.00 0.00 C ATOM 262 N9 DA B 3 4.770 -1.631 -1.326 1.00 0.00 N ATOM 263 C8 DA B 3 4.995 -1.201 -2.605 1.00 0.00 C ATOM 264 N7 DA B 3 4.191 -0.255 -3.005 1.00 0.00 N ATOM 265 C5 DA B 3 3.384 -0.044 -1.892 1.00 0.00 C ATOM 266 C6 DA B 3 2.335 0.848 -1.627 1.00 0.00 C ATOM 267 N6 DA B 3 1.912 1.734 -2.526 1.00 0.00 N ATOM 268 N1 DA B 3 1.767 0.834 -0.412 1.00 0.00 N ATOM 269 C2 DA B 3 2.209 -0.025 0.503 1.00 0.00 C ATOM 270 N3 DA B 3 3.169 -0.929 0.373 1.00 0.00 N ATOM 271 C4 DA B 3 3.730 -0.876 -0.860 1.00 0.00 C ATOM 0 H5' DA B 3 9.413 -1.937 -1.059 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.773 -3.645 -1.213 1.00 0.00 H new ATOM 0 H4' DA B 3 8.105 -3.469 0.443 1.00 0.00 H new ATOM 0 H3' DA B 3 7.404 -4.834 -2.099 1.00 0.00 H new ATOM 0 H2' DA B 3 5.469 -3.666 -2.475 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.864 -4.606 -1.125 1.00 0.00 H new ATOM 0 H1' DA B 3 5.101 -2.809 0.401 1.00 0.00 H new ATOM 0 H8 DA B 3 5.774 -1.611 -3.231 1.00 0.00 H new ATOM 0 H61 DA B 3 1.146 2.367 -2.297 1.00 0.00 H new ATOM 0 H62 DA B 3 2.354 1.780 -3.444 1.00 0.00 H new ATOM 0 H2 DA B 3 1.727 0.020 1.468 1.00 0.00 H new ATOM 283 P DT B 4 6.246 -6.785 -0.313 1.00 0.00 P ATOM 284 OP1 DT B 4 6.849 -7.829 0.545 1.00 0.00 O ATOM 285 OP2 DT B 4 5.923 -7.063 -1.729 1.00 0.00 O ATOM 286 O5' DT B 4 4.951 -6.210 0.417 1.00 0.00 O ATOM 287 C5' DT B 4 5.069 -5.677 1.721 1.00 0.00 C ATOM 288 C4' DT B 4 3.681 -5.294 2.201 1.00 0.00 C ATOM 289 O4' DT B 4 3.220 -4.164 1.492 1.00 0.00 O ATOM 290 C3' DT B 4 2.761 -6.467 1.872 1.00 0.00 C ATOM 291 O3' DT B 4 2.177 -6.960 3.049 1.00 0.00 O ATOM 292 C2' DT B 4 1.746 -5.823 0.930 1.00 0.00 C ATOM 293 C1' DT B 4 1.847 -4.366 1.262 1.00 0.00 C ATOM 294 N1 DT B 4 1.411 -3.605 0.093 1.00 0.00 N ATOM 295 C2 DT B 4 0.447 -2.627 0.258 1.00 0.00 C ATOM 296 O2 DT B 4 -0.106 -2.410 1.331 1.00 0.00 O ATOM 297 N3 DT B 4 0.121 -1.916 -0.876 1.00 0.00 N ATOM 298 C4 DT B 4 0.652 -2.105 -2.135 1.00 0.00 C ATOM 299 O4 DT B 4 0.294 -1.387 -3.064 1.00 0.00 O ATOM 300 C5 DT B 4 1.613 -3.191 -2.227 1.00 0.00 C ATOM 301 C7 DT B 4 2.248 -3.518 -3.557 1.00 0.00 C ATOM 302 C6 DT B 4 1.953 -3.900 -1.124 1.00 0.00 C ATOM 0 H5' DT B 4 5.725 -4.806 1.718 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.515 -6.410 2.393 1.00 0.00 H new ATOM 0 H4' DT B 4 3.696 -5.067 3.267 1.00 0.00 H new ATOM 0 H3' DT B 4 3.253 -7.330 1.422 1.00 0.00 H new ATOM 0 H2' DT B 4 1.988 -6.015 -0.115 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.740 -6.206 1.100 1.00 0.00 H new ATOM 0 H1' DT B 4 1.241 -4.060 2.114 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.579 -1.181 -0.775 1.00 0.00 H new ATOM 0 H71 DT B 4 3.246 -3.924 -3.394 1.00 0.00 H new ATOM 0 H72 DT B 4 1.638 -4.255 -4.080 1.00 0.00 H new ATOM 0 H73 DT B 4 2.319 -2.612 -4.159 1.00 0.00 H new ATOM 0 H6 DT B 4 2.663 -4.710 -1.209 1.00 0.00 H new ATOM 315 P DC B 5 1.137 -8.178 2.988 1.00 0.00 P ATOM 316 OP1 DC B 5 1.299 -9.008 4.202 1.00 0.00 O ATOM 317 OP2 DC B 5 1.188 -8.795 1.644 1.00 0.00 O ATOM 318 O5' DC B 5 -0.227 -7.355 3.117 1.00 0.00 O ATOM 319 C5' DC B 5 -0.497 -6.685 4.328 1.00 0.00 C ATOM 320 C4' DC B 5 -1.960 -6.268 4.399 1.00 0.00 C ATOM 321 O4' DC B 5 -2.215 -5.181 3.529 1.00 0.00 O ATOM 322 C3' DC B 5 -2.802 -7.457 3.968 1.00 0.00 C ATOM 323 O3' DC B 5 -3.926 -7.548 4.806 1.00 0.00 O ATOM 324 C2' DC B 5 -3.140 -7.120 2.522 1.00 0.00 C ATOM 325 C1' DC B 5 -3.031 -5.597 2.454 1.00 0.00 C ATOM 326 N1 DC B 5 -2.416 -5.135 1.187 1.00 0.00 N ATOM 327 C2 DC B 5 -2.863 -3.930 0.668 1.00 0.00 C ATOM 328 O2 DC B 5 -3.572 -3.176 1.330 1.00 0.00 O ATOM 329 N3 DC B 5 -2.594 -3.637 -0.635 1.00 0.00 N ATOM 330 C4 DC B 5 -1.810 -4.440 -1.356 1.00 0.00 C ATOM 331 N4 DC B 5 -1.634 -4.145 -2.640 1.00 0.00 N ATOM 332 C5 DC B 5 -1.155 -5.571 -0.771 1.00 0.00 C ATOM 333 C6 DC B 5 -1.498 -5.886 0.501 1.00 0.00 C ATOM 0 H5' DC B 5 0.141 -5.806 4.413 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.258 -7.335 5.170 1.00 0.00 H new ATOM 0 H4' DC B 5 -2.203 -5.958 5.415 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.317 -8.431 4.040 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.448 -7.600 1.830 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.142 -7.459 2.258 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.033 -5.172 2.507 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.041 -4.736 -3.223 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.092 -3.327 -3.043 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.422 -6.146 -1.318 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.042 -6.740 0.980 1.00 0.00 H new ATOM 345 P DG B 6 -4.744 -8.924 4.938 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.827 -9.292 6.368 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.226 -9.890 3.944 1.00 0.00 O ATOM 348 O5' DG B 6 -6.177 -8.422 4.454 1.00 0.00 O ATOM 349 C5' DG B 6 -6.791 -7.345 5.128 1.00 0.00 C ATOM 350 C4' DG B 6 -7.843 -6.723 4.219 1.00 0.00 C ATOM 351 O4' DG B 6 -7.227 -6.411 2.982 1.00 0.00 O ATOM 352 C3' DG B 6 -8.934 -7.752 3.962 1.00 0.00 C ATOM 353 O3' DG B 6 -10.198 -7.131 3.902 1.00 0.00 O ATOM 354 C2' DG B 6 -8.574 -8.293 2.601 1.00 0.00 C ATOM 355 C1' DG B 6 -7.929 -7.090 1.959 1.00 0.00 C ATOM 356 N9 DG B 6 -6.998 -7.605 0.958 1.00 0.00 N ATOM 357 C8 DG B 6 -5.732 -8.041 1.180 1.00 0.00 C ATOM 358 N7 DG B 6 -5.035 -8.239 0.096 1.00 0.00 N ATOM 359 C5 DG B 6 -5.953 -7.981 -0.923 1.00 0.00 C ATOM 360 C6 DG B 6 -5.785 -7.918 -2.338 1.00 0.00 C ATOM 361 O6 DG B 6 -4.746 -8.009 -2.992 1.00 0.00 O ATOM 362 N1 DG B 6 -6.972 -7.657 -3.002 1.00 0.00 N ATOM 363 C2 DG B 6 -8.188 -7.489 -2.388 1.00 0.00 C ATOM 364 N2 DG B 6 -9.263 -7.381 -3.161 1.00 0.00 N ATOM 365 N3 DG B 6 -8.344 -7.442 -1.063 1.00 0.00 N ATOM 366 C4 DG B 6 -7.186 -7.679 -0.394 1.00 0.00 C ATOM 0 H5' DG B 6 -6.045 -6.600 5.404 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.251 -7.693 6.053 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.265 -5.830 4.679 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.993 -8.513 4.741 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.891 -9.140 2.664 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.451 -8.631 2.049 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.887 -7.807 3.734 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.643 -6.413 1.490 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.336 -8.210 2.170 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.940 -7.585 -4.019 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.183 -7.255 -2.740 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.168 -7.424 -4.176 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.335 2.379 3.538 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.476 2.618 2.763 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.113 3.348 1.631 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.781 3.689 1.773 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.926 4.515 1.025 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.646 4.800 1.517 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.240 4.252 2.743 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.077 3.365 3.442 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.341 3.124 2.950 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.683 2.124 3.282 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.893 2.538 2.757 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.656 1.379 4.399 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.490 1.181 5.009 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.287 1.648 4.682 1.00 0.00 N HETATM 393 C61 PPZ A 7 12.081 3.571 1.753 1.00 0.00 C HETATM 394 C7 PPZ A 7 11.291 4.830 2.127 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.966 5.609 3.091 1.00 0.00 O HETATM 0 H8 PPZ A 7 11.383 5.746 3.867 1.00 0.00 H new HETATM 0 H72 PPZ A 7 11.118 5.429 1.233 1.00 0.00 H new HETATM 0 H71 PPZ A 7 10.313 4.543 2.513 1.00 0.00 H new HETATM 0 H62 PPZ A 7 13.140 3.812 1.664 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.754 3.205 0.780 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.732 2.075 3.107 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.525 0.551 5.897 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.255 4.930 0.072 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.971 5.442 0.952 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.267 4.516 3.157 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.733 2.878 4.354 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.725 -3.934 0.769 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.737 -3.798 -0.188 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.160 -3.770 -1.459 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.819 -4.061 -1.301 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.787 -4.309 -2.220 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.557 -4.787 -1.752 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.370 -4.984 -0.376 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.379 -4.645 0.540 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.591 -4.211 0.049 1.00 0.00 N HETATM 416 C6 PPZ B 7 -11.049 -3.764 0.311 1.00 0.00 C HETATM 417 N6 PPZ B 7 -12.120 -3.975 -0.537 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.239 -3.725 1.639 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.177 -3.788 2.441 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.894 -3.919 2.115 1.00 0.00 N HETATM 421 C61 PPZ B 7 -12.037 -4.339 -1.942 1.00 0.00 C HETATM 422 C7 PPZ B 7 -11.069 -5.512 -2.134 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.695 -6.756 -1.901 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.238 -7.220 -1.169 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.670 -5.491 -3.148 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.223 -5.399 -1.456 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -13.025 -4.610 -2.313 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.701 -3.483 -2.527 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -13.054 -3.865 -0.141 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.388 -3.723 3.508 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.941 -4.132 -3.284 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.750 -5.005 -2.452 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.432 -5.405 -0.014 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.207 -4.723 1.614 1.00 0.00 H new