USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=7 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 56:sc= -1.59! USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.291 (180deg=-0.533) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -127:sc= 0.588 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= 0.577 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -6.908 -2.099 -7.615 1.00 0.00 O ATOM 2 C5' DC A 1 -8.035 -2.287 -8.444 1.00 0.00 C ATOM 3 C4' DC A 1 -9.188 -2.973 -7.702 1.00 0.00 C ATOM 4 O4' DC A 1 -8.722 -4.221 -7.212 1.00 0.00 O ATOM 5 C3' DC A 1 -9.689 -2.177 -6.496 1.00 0.00 C ATOM 6 O3' DC A 1 -11.007 -2.599 -6.198 1.00 0.00 O ATOM 7 C2' DC A 1 -8.700 -2.661 -5.455 1.00 0.00 C ATOM 8 C1' DC A 1 -8.608 -4.145 -5.802 1.00 0.00 C ATOM 9 N1 DC A 1 -7.320 -4.710 -5.354 1.00 0.00 N ATOM 10 C2 DC A 1 -7.308 -5.974 -4.780 1.00 0.00 C ATOM 11 O2 DC A 1 -8.332 -6.651 -4.708 1.00 0.00 O ATOM 12 N3 DC A 1 -6.145 -6.442 -4.240 1.00 0.00 N ATOM 13 C4 DC A 1 -5.024 -5.714 -4.316 1.00 0.00 C ATOM 14 N4 DC A 1 -3.967 -6.098 -3.608 1.00 0.00 N ATOM 15 C5 DC A 1 -5.006 -4.433 -4.943 1.00 0.00 C ATOM 16 C6 DC A 1 -6.175 -3.972 -5.438 1.00 0.00 C ATOM 0 H5' DC A 1 -7.752 -2.888 -9.309 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.371 -1.322 -8.823 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.010 -3.070 -8.411 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.736 -1.093 -6.600 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.736 -2.158 -5.538 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.059 -2.497 -4.439 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.626 -2.962 -7.245 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.391 -4.718 -5.305 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.102 -5.559 -3.650 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.021 -6.932 -3.023 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.096 -3.856 -5.019 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.204 -3.001 -5.909 1.00 0.00 H new ATOM 29 P DG A 2 -11.858 -2.018 -4.952 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.008 -2.029 -3.742 1.00 0.00 O ATOM 31 OP2 DG A 2 -13.138 -2.760 -4.925 1.00 0.00 O ATOM 32 O5' DG A 2 -12.212 -0.491 -5.365 1.00 0.00 O ATOM 33 C5' DG A 2 -11.236 0.495 -5.653 1.00 0.00 C ATOM 34 C4' DG A 2 -10.462 0.942 -4.413 1.00 0.00 C ATOM 35 O4' DG A 2 -9.369 0.073 -4.215 1.00 0.00 O ATOM 36 C3' DG A 2 -9.881 2.349 -4.561 1.00 0.00 C ATOM 37 O3' DG A 2 -10.300 3.100 -3.441 1.00 0.00 O ATOM 38 C2' DG A 2 -8.378 2.110 -4.532 1.00 0.00 C ATOM 39 C1' DG A 2 -8.298 0.832 -3.716 1.00 0.00 C ATOM 40 N9 DG A 2 -7.051 0.099 -3.977 1.00 0.00 N ATOM 41 C8 DG A 2 -6.522 -0.264 -5.182 1.00 0.00 C ATOM 42 N7 DG A 2 -5.451 -1.005 -5.103 1.00 0.00 N ATOM 43 C5 DG A 2 -5.264 -1.154 -3.731 1.00 0.00 C ATOM 44 C6 DG A 2 -4.276 -1.879 -3.001 1.00 0.00 C ATOM 45 O6 DG A 2 -3.325 -2.529 -3.439 1.00 0.00 O ATOM 46 N1 DG A 2 -4.468 -1.801 -1.633 1.00 0.00 N ATOM 47 C2 DG A 2 -5.499 -1.125 -1.021 1.00 0.00 C ATOM 48 N2 DG A 2 -5.559 -1.095 0.304 1.00 0.00 N ATOM 49 N3 DG A 2 -6.422 -0.438 -1.694 1.00 0.00 N ATOM 50 C4 DG A 2 -6.251 -0.495 -3.038 1.00 0.00 C ATOM 0 H5' DG A 2 -11.722 1.360 -6.104 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.536 0.102 -6.391 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.165 0.930 -3.580 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.188 2.887 -5.458 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.962 1.987 -5.532 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.840 2.933 -4.062 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.331 1.030 -2.645 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.955 0.038 -6.124 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.796 -2.280 -1.034 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.318 -0.597 0.769 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.846 -1.570 0.858 1.00 0.00 H new ATOM 62 P DA A 3 -9.741 4.583 -3.152 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.808 5.360 -2.484 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.109 5.099 -4.386 1.00 0.00 O ATOM 65 O5' DA A 3 -8.588 4.286 -2.073 1.00 0.00 O ATOM 66 C5' DA A 3 -8.946 3.887 -0.766 1.00 0.00 C ATOM 67 C4' DA A 3 -7.718 3.806 0.138 1.00 0.00 C ATOM 68 O4' DA A 3 -6.893 2.719 -0.239 1.00 0.00 O ATOM 69 C3' DA A 3 -6.896 5.090 0.064 1.00 0.00 C ATOM 70 O3' DA A 3 -6.947 5.723 1.325 1.00 0.00 O ATOM 71 C2' DA A 3 -5.511 4.589 -0.322 1.00 0.00 C ATOM 72 C1' DA A 3 -5.539 3.089 -0.077 1.00 0.00 C ATOM 73 N9 DA A 3 -4.760 2.464 -1.156 1.00 0.00 N ATOM 74 C8 DA A 3 -4.888 2.706 -2.498 1.00 0.00 C ATOM 75 N7 DA A 3 -4.016 2.088 -3.244 1.00 0.00 N ATOM 76 C5 DA A 3 -3.274 1.363 -2.318 1.00 0.00 C ATOM 77 C6 DA A 3 -2.185 0.488 -2.449 1.00 0.00 C ATOM 78 N6 DA A 3 -1.643 0.232 -3.636 1.00 0.00 N ATOM 79 N1 DA A 3 -1.708 -0.136 -1.360 1.00 0.00 N ATOM 80 C2 DA A 3 -2.272 0.123 -0.182 1.00 0.00 C ATOM 81 N3 DA A 3 -3.262 0.969 0.084 1.00 0.00 N ATOM 82 C4 DA A 3 -3.735 1.558 -1.044 1.00 0.00 C ATOM 0 H5' DA A 3 -9.441 2.916 -0.801 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.662 4.595 -0.349 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.075 3.664 1.158 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.243 5.838 -0.649 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.290 4.812 -1.366 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.738 5.070 0.278 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.144 2.800 0.897 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.649 3.356 -2.905 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.852 -0.408 -3.708 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.019 0.675 -4.474 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.876 -0.422 0.662 1.00 0.00 H new ATOM 94 P DT A 4 -5.793 6.720 1.841 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.323 7.523 2.964 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.157 7.381 0.679 1.00 0.00 O ATOM 97 O5' DT A 4 -4.782 5.627 2.431 1.00 0.00 O ATOM 98 C5' DT A 4 -5.280 4.659 3.333 1.00 0.00 C ATOM 99 C4' DT A 4 -4.176 3.701 3.764 1.00 0.00 C ATOM 100 O4' DT A 4 -3.613 3.097 2.615 1.00 0.00 O ATOM 101 C3' DT A 4 -3.079 4.482 4.480 1.00 0.00 C ATOM 102 O3' DT A 4 -2.594 3.717 5.560 1.00 0.00 O ATOM 103 C2' DT A 4 -2.044 4.610 3.380 1.00 0.00 C ATOM 104 C1' DT A 4 -2.215 3.272 2.689 1.00 0.00 C ATOM 105 N1 DT A 4 -1.634 3.338 1.344 1.00 0.00 N ATOM 106 C2 DT A 4 -0.643 2.425 1.027 1.00 0.00 C ATOM 107 O2 DT A 4 -0.207 1.613 1.838 1.00 0.00 O ATOM 108 N3 DT A 4 -0.157 2.484 -0.264 1.00 0.00 N ATOM 109 C4 DT A 4 -0.581 3.353 -1.247 1.00 0.00 C ATOM 110 O4 DT A 4 -0.075 3.317 -2.364 1.00 0.00 O ATOM 111 C5 DT A 4 -1.635 4.261 -0.836 1.00 0.00 C ATOM 112 C7 DT A 4 -2.220 5.229 -1.836 1.00 0.00 C ATOM 113 C6 DT A 4 -2.117 4.231 0.427 1.00 0.00 C ATOM 0 H5' DT A 4 -6.089 4.100 2.863 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.700 5.154 4.209 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.593 2.943 4.428 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.383 5.439 4.903 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.246 5.450 2.715 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.036 4.749 3.772 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.723 2.452 3.213 1.00 0.00 H new ATOM 0 H3 DT A 4 0.582 1.826 -0.513 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.461 5.496 -2.571 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.066 4.763 -2.341 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.556 6.128 -1.319 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.895 4.922 0.716 1.00 0.00 H new ATOM 126 P DC A 5 -1.429 4.274 6.518 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.786 3.965 7.919 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.109 5.663 6.121 1.00 0.00 O ATOM 129 O5' DC A 5 -0.187 3.347 6.104 1.00 0.00 O ATOM 130 C5' DC A 5 -0.212 1.967 6.406 1.00 0.00 C ATOM 131 C4' DC A 5 1.194 1.391 6.607 1.00 0.00 C ATOM 132 O4' DC A 5 1.872 1.218 5.375 1.00 0.00 O ATOM 133 C3' DC A 5 2.032 2.355 7.436 1.00 0.00 C ATOM 134 O3' DC A 5 3.037 1.654 8.134 1.00 0.00 O ATOM 135 C2' DC A 5 2.593 3.244 6.338 1.00 0.00 C ATOM 136 C1' DC A 5 2.669 2.356 5.110 1.00 0.00 C ATOM 137 N1 DC A 5 2.200 3.039 3.880 1.00 0.00 N ATOM 138 C2 DC A 5 2.567 2.481 2.665 1.00 0.00 C ATOM 139 O2 DC A 5 3.136 1.393 2.602 1.00 0.00 O ATOM 140 N3 DC A 5 2.397 3.209 1.528 1.00 0.00 N ATOM 141 C4 DC A 5 1.785 4.391 1.566 1.00 0.00 C ATOM 142 N4 DC A 5 1.644 5.043 0.417 1.00 0.00 N ATOM 143 C5 DC A 5 1.291 4.944 2.789 1.00 0.00 C ATOM 144 C6 DC A 5 1.543 4.240 3.920 1.00 0.00 C ATOM 0 H5' DC A 5 -0.711 1.430 5.599 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.801 1.805 7.309 1.00 0.00 H new ATOM 0 H4' DC A 5 1.073 0.428 7.103 1.00 0.00 H new ATOM 0 H3' DC A 5 1.498 2.903 8.212 1.00 0.00 H new ATOM 0 H2' DC A 5 1.950 4.106 6.162 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.576 3.630 6.607 1.00 0.00 H new ATOM 0 H1' DC A 5 3.708 2.086 4.923 1.00 0.00 H new ATOM 0 H41 DC A 5 1.181 5.952 0.400 1.00 0.00 H new ATOM 0 H42 DC A 5 1.999 4.635 -0.448 1.00 0.00 H new ATOM 0 H5 DC A 5 0.745 5.875 2.811 1.00 0.00 H new ATOM 0 H6 DC A 5 1.219 4.634 4.872 1.00 0.00 H new ATOM 156 P DG A 6 3.900 2.371 9.290 1.00 0.00 P ATOM 157 OP1 DG A 6 3.888 1.506 10.490 1.00 0.00 O ATOM 158 OP2 DG A 6 3.477 3.785 9.389 1.00 0.00 O ATOM 159 O5' DG A 6 5.368 2.334 8.654 1.00 0.00 O ATOM 160 C5' DG A 6 5.973 1.089 8.374 1.00 0.00 C ATOM 161 C4' DG A 6 7.226 1.280 7.524 1.00 0.00 C ATOM 162 O4' DG A 6 6.867 2.062 6.404 1.00 0.00 O ATOM 163 C3' DG A 6 8.316 2.023 8.289 1.00 0.00 C ATOM 164 O3' DG A 6 9.588 1.557 7.898 1.00 0.00 O ATOM 165 C2' DG A 6 8.156 3.452 7.823 1.00 0.00 C ATOM 166 C1' DG A 6 7.600 3.271 6.424 1.00 0.00 C ATOM 167 N9 DG A 6 6.703 4.386 6.105 1.00 0.00 N ATOM 168 C8 DG A 6 5.401 4.510 6.477 1.00 0.00 C ATOM 169 N7 DG A 6 4.733 5.417 5.820 1.00 0.00 N ATOM 170 C5 DG A 6 5.697 5.976 4.982 1.00 0.00 C ATOM 171 C6 DG A 6 5.571 6.931 3.931 1.00 0.00 C ATOM 172 O6 DG A 6 4.551 7.474 3.507 1.00 0.00 O ATOM 173 N1 DG A 6 6.776 7.193 3.302 1.00 0.00 N ATOM 174 C2 DG A 6 7.977 6.634 3.660 1.00 0.00 C ATOM 175 N2 DG A 6 9.071 7.069 3.043 1.00 0.00 N ATOM 176 N3 DG A 6 8.100 5.684 4.590 1.00 0.00 N ATOM 177 C4 DG A 6 6.921 5.389 5.198 1.00 0.00 C ATOM 0 H5' DG A 6 5.267 0.445 7.851 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.232 0.587 9.306 1.00 0.00 H new ATOM 0 H4' DG A 6 7.611 0.301 7.240 1.00 0.00 H new ATOM 0 H3' DG A 6 8.235 1.896 9.369 1.00 0.00 H new ATOM 0 H2' DG A 6 7.476 4.015 8.462 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.105 3.988 7.818 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.281 2.042 8.394 1.00 0.00 H new ATOM 0 H1' DG A 6 8.408 3.245 5.693 1.00 0.00 H new ATOM 0 H8 DG A 6 4.956 3.906 7.254 1.00 0.00 H new ATOM 0 H1 DG A 6 6.771 7.846 2.519 1.00 0.00 H new ATOM 0 H21 DG A 6 9.982 6.677 3.283 1.00 0.00 H new ATOM 0 H22 DG A 6 9.000 7.795 2.330 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 9.681 8.998 -6.164 1.00 0.00 O ATOM 191 C5' DC B 1 8.692 8.513 -5.278 1.00 0.00 C ATOM 192 C4' DC B 1 9.292 7.547 -4.262 1.00 0.00 C ATOM 193 O4' DC B 1 8.807 7.864 -2.982 1.00 0.00 O ATOM 194 C3' DC B 1 8.800 6.140 -4.556 1.00 0.00 C ATOM 195 O3' DC B 1 9.667 5.511 -5.473 1.00 0.00 O ATOM 196 C2' DC B 1 8.801 5.504 -3.171 1.00 0.00 C ATOM 197 C1' DC B 1 8.838 6.691 -2.198 1.00 0.00 C ATOM 198 N1 DC B 1 7.616 6.688 -1.380 1.00 0.00 N ATOM 199 C2 DC B 1 7.618 7.301 -0.132 1.00 0.00 C ATOM 200 O2 DC B 1 8.650 7.757 0.357 1.00 0.00 O ATOM 201 N3 DC B 1 6.449 7.356 0.572 1.00 0.00 N ATOM 202 C4 DC B 1 5.328 6.836 0.058 1.00 0.00 C ATOM 203 N4 DC B 1 4.231 6.817 0.806 1.00 0.00 N ATOM 204 C5 DC B 1 5.324 6.183 -1.209 1.00 0.00 C ATOM 205 C6 DC B 1 6.481 6.137 -1.889 1.00 0.00 C ATOM 0 H5' DC B 1 7.908 8.010 -5.844 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.224 9.349 -4.758 1.00 0.00 H new ATOM 0 H4' DC B 1 10.379 7.616 -4.314 1.00 0.00 H new ATOM 0 H3' DC B 1 7.820 6.075 -5.028 1.00 0.00 H new ATOM 0 H2' DC B 1 7.913 4.892 -3.016 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.665 4.853 -3.035 1.00 0.00 H new ATOM 0 HO5' DC B 1 9.271 9.614 -6.807 1.00 0.00 H new ATOM 0 H1' DC B 1 9.721 6.635 -1.561 1.00 0.00 H new ATOM 0 H41 DC B 1 3.366 6.425 0.433 1.00 0.00 H new ATOM 0 H42 DC B 1 4.253 7.194 1.753 1.00 0.00 H new ATOM 0 H5 DC B 1 4.423 5.741 -1.608 1.00 0.00 H new ATOM 0 H6 DC B 1 6.511 5.655 -2.855 1.00 0.00 H new ATOM 218 P DG B 2 9.178 4.242 -6.340 1.00 0.00 P ATOM 219 OP1 DG B 2 10.139 4.055 -7.448 1.00 0.00 O ATOM 220 OP2 DG B 2 7.739 4.418 -6.630 1.00 0.00 O ATOM 221 O5' DG B 2 9.330 3.009 -5.333 1.00 0.00 O ATOM 222 C5' DG B 2 10.608 2.546 -4.956 1.00 0.00 C ATOM 223 C4' DG B 2 10.482 1.339 -4.025 1.00 0.00 C ATOM 224 O4' DG B 2 9.631 1.678 -2.942 1.00 0.00 O ATOM 225 C3' DG B 2 9.852 0.156 -4.752 1.00 0.00 C ATOM 226 O3' DG B 2 10.291 -1.043 -4.152 1.00 0.00 O ATOM 227 C2' DG B 2 8.379 0.409 -4.503 1.00 0.00 C ATOM 228 C1' DG B 2 8.393 1.005 -3.104 1.00 0.00 C ATOM 229 N9 DG B 2 7.258 1.932 -2.955 1.00 0.00 N ATOM 230 C8 DG B 2 6.780 2.861 -3.839 1.00 0.00 C ATOM 231 N7 DG B 2 5.728 3.511 -3.421 1.00 0.00 N ATOM 232 C5 DG B 2 5.465 2.937 -2.179 1.00 0.00 C ATOM 233 C6 DG B 2 4.405 3.166 -1.252 1.00 0.00 C ATOM 234 O6 DG B 2 3.463 3.956 -1.346 1.00 0.00 O ATOM 235 N1 DG B 2 4.502 2.359 -0.132 1.00 0.00 N ATOM 236 C2 DG B 2 5.506 1.447 0.096 1.00 0.00 C ATOM 237 N2 DG B 2 5.473 0.712 1.200 1.00 0.00 N ATOM 238 N3 DG B 2 6.485 1.207 -0.775 1.00 0.00 N ATOM 239 C4 DG B 2 6.407 1.980 -1.885 1.00 0.00 C ATOM 0 H5' DG B 2 11.158 3.343 -4.456 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.179 2.272 -5.843 1.00 0.00 H new ATOM 0 H4' DG B 2 11.480 1.069 -3.680 1.00 0.00 H new ATOM 0 H3' DG B 2 10.098 0.064 -5.810 1.00 0.00 H new ATOM 0 H2' DG B 2 7.953 1.096 -5.235 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.794 -0.509 -4.550 1.00 0.00 H new ATOM 0 H1' DG B 2 8.292 0.234 -2.341 1.00 0.00 H new ATOM 0 H8 DG B 2 7.235 3.041 -4.802 1.00 0.00 H new ATOM 0 H1 DG B 2 3.775 2.447 0.578 1.00 0.00 H new ATOM 0 H21 DG B 2 6.211 0.032 1.382 1.00 0.00 H new ATOM 0 H22 DG B 2 4.710 0.827 1.867 1.00 0.00 H new ATOM 251 P DA B 3 9.658 -2.465 -4.557 1.00 0.00 P ATOM 252 OP1 DA B 3 10.712 -3.497 -4.443 1.00 0.00 O ATOM 253 OP2 DA B 3 8.903 -2.310 -5.820 1.00 0.00 O ATOM 254 O5' DA B 3 8.610 -2.688 -3.363 1.00 0.00 O ATOM 255 C5' DA B 3 9.096 -2.897 -2.055 1.00 0.00 C ATOM 256 C4' DA B 3 7.983 -3.370 -1.126 1.00 0.00 C ATOM 257 O4' DA B 3 7.043 -2.334 -0.898 1.00 0.00 O ATOM 258 C3' DA B 3 7.266 -4.564 -1.742 1.00 0.00 C ATOM 259 O3' DA B 3 7.223 -5.575 -0.762 1.00 0.00 O ATOM 260 C2' DA B 3 5.910 -3.982 -2.115 1.00 0.00 C ATOM 261 C1' DA B 3 5.736 -2.806 -1.164 1.00 0.00 C ATOM 262 N9 DA B 3 5.004 -1.736 -1.863 1.00 0.00 N ATOM 263 C8 DA B 3 5.262 -1.232 -3.112 1.00 0.00 C ATOM 264 N7 DA B 3 4.443 -0.290 -3.491 1.00 0.00 N ATOM 265 C5 DA B 3 3.605 -0.141 -2.391 1.00 0.00 C ATOM 266 C6 DA B 3 2.529 0.719 -2.124 1.00 0.00 C ATOM 267 N6 DA B 3 2.105 1.600 -3.026 1.00 0.00 N ATOM 268 N1 DA B 3 1.962 0.704 -0.906 1.00 0.00 N ATOM 269 C2 DA B 3 2.424 -0.155 0.001 1.00 0.00 C ATOM 270 N3 DA B 3 3.390 -1.056 -0.145 1.00 0.00 N ATOM 271 C4 DA B 3 3.959 -0.989 -1.376 1.00 0.00 C ATOM 0 H5' DA B 3 9.526 -1.972 -1.671 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.897 -3.636 -2.075 1.00 0.00 H new ATOM 0 H4' DA B 3 8.433 -3.656 -0.176 1.00 0.00 H new ATOM 0 H3' DA B 3 7.727 -5.023 -2.617 1.00 0.00 H new ATOM 0 H2' DA B 3 5.887 -3.660 -3.156 1.00 0.00 H new ATOM 0 H2'' DA B 3 5.114 -4.716 -1.991 1.00 0.00 H new ATOM 0 H1' DA B 3 5.199 -3.091 -0.259 1.00 0.00 H new ATOM 0 H8 DA B 3 6.075 -1.585 -3.730 1.00 0.00 H new ATOM 0 H61 DA B 3 1.321 2.215 -2.809 1.00 0.00 H new ATOM 0 H62 DA B 3 2.564 1.661 -3.935 1.00 0.00 H new ATOM 0 H2 DA B 3 1.957 -0.114 0.974 1.00 0.00 H new ATOM 283 P DT B 4 6.346 -6.909 -0.939 1.00 0.00 P ATOM 284 OP1 DT B 4 7.005 -8.013 -0.208 1.00 0.00 O ATOM 285 OP2 DT B 4 5.972 -7.065 -2.362 1.00 0.00 O ATOM 286 O5' DT B 4 5.061 -6.445 -0.110 1.00 0.00 O ATOM 287 C5' DT B 4 5.241 -6.014 1.221 1.00 0.00 C ATOM 288 C4' DT B 4 3.955 -5.403 1.758 1.00 0.00 C ATOM 289 O4' DT B 4 3.583 -4.303 0.945 1.00 0.00 O ATOM 290 C3' DT B 4 2.826 -6.429 1.712 1.00 0.00 C ATOM 291 O3' DT B 4 2.136 -6.398 2.939 1.00 0.00 O ATOM 292 C2' DT B 4 1.953 -5.875 0.601 1.00 0.00 C ATOM 293 C1' DT B 4 2.188 -4.388 0.769 1.00 0.00 C ATOM 294 N1 DT B 4 1.745 -3.685 -0.442 1.00 0.00 N ATOM 295 C2 DT B 4 0.766 -2.714 -0.300 1.00 0.00 C ATOM 296 O2 DT B 4 0.244 -2.456 0.780 1.00 0.00 O ATOM 297 N3 DT B 4 0.389 -2.060 -1.457 1.00 0.00 N ATOM 298 C4 DT B 4 0.894 -2.298 -2.718 1.00 0.00 C ATOM 299 O4 DT B 4 0.490 -1.652 -3.679 1.00 0.00 O ATOM 300 C5 DT B 4 1.901 -3.339 -2.778 1.00 0.00 C ATOM 301 C7 DT B 4 2.536 -3.687 -4.101 1.00 0.00 C ATOM 302 C6 DT B 4 2.288 -3.992 -1.659 1.00 0.00 C ATOM 0 H5' DT B 4 6.047 -5.281 1.267 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.540 -6.856 1.846 1.00 0.00 H new ATOM 0 H4' DT B 4 4.124 -5.083 2.786 1.00 0.00 H new ATOM 0 H3' DT B 4 3.143 -7.459 1.547 1.00 0.00 H new ATOM 0 H2' DT B 4 2.259 -6.233 -0.382 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.904 -6.144 0.726 1.00 0.00 H new ATOM 0 H1' DT B 4 1.643 -3.936 1.597 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.326 -1.337 -1.371 1.00 0.00 H new ATOM 0 H71 DT B 4 3.554 -4.039 -3.934 1.00 0.00 H new ATOM 0 H72 DT B 4 1.956 -4.471 -4.588 1.00 0.00 H new ATOM 0 H73 DT B 4 2.558 -2.803 -4.738 1.00 0.00 H new ATOM 0 H6 DT B 4 3.037 -4.767 -1.727 1.00 0.00 H new ATOM 315 P DC B 5 0.964 -7.448 3.265 1.00 0.00 P ATOM 316 OP1 DC B 5 1.542 -8.604 3.983 1.00 0.00 O ATOM 317 OP2 DC B 5 0.152 -7.656 2.044 1.00 0.00 O ATOM 318 O5' DC B 5 0.083 -6.586 4.285 1.00 0.00 O ATOM 319 C5' DC B 5 -0.407 -5.332 3.874 1.00 0.00 C ATOM 320 C4' DC B 5 -1.624 -4.934 4.701 1.00 0.00 C ATOM 321 O4' DC B 5 -2.346 -3.936 4.007 1.00 0.00 O ATOM 322 C3' DC B 5 -2.575 -6.120 4.777 1.00 0.00 C ATOM 323 O3' DC B 5 -3.456 -5.970 5.869 1.00 0.00 O ATOM 324 C2' DC B 5 -3.310 -6.016 3.449 1.00 0.00 C ATOM 325 C1' DC B 5 -3.121 -4.567 3.002 1.00 0.00 C ATOM 326 N1 DC B 5 -2.468 -4.477 1.669 1.00 0.00 N ATOM 327 C2 DC B 5 -2.730 -3.338 0.922 1.00 0.00 C ATOM 328 O2 DC B 5 -3.314 -2.377 1.415 1.00 0.00 O ATOM 329 N3 DC B 5 -2.444 -3.341 -0.410 1.00 0.00 N ATOM 330 C4 DC B 5 -1.820 -4.379 -0.967 1.00 0.00 C ATOM 331 N4 DC B 5 -1.595 -4.335 -2.277 1.00 0.00 N ATOM 332 C5 DC B 5 -1.418 -5.513 -0.197 1.00 0.00 C ATOM 333 C6 DC B 5 -1.790 -5.529 1.107 1.00 0.00 C ATOM 0 H5' DC B 5 -0.674 -5.368 2.818 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.373 -4.578 3.979 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.288 -4.600 5.683 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.088 -7.083 4.927 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.900 -6.711 2.716 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.366 -6.259 3.563 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.085 -4.072 2.884 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.120 -5.110 -2.739 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.897 -3.526 -2.819 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.845 -6.319 -0.632 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.548 -6.388 1.716 1.00 0.00 H new ATOM 345 P DG B 6 -4.555 -7.097 6.206 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.880 -7.018 7.647 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.110 -8.378 5.614 1.00 0.00 O ATOM 348 O5' DG B 6 -5.823 -6.575 5.377 1.00 0.00 O ATOM 349 C5' DG B 6 -6.410 -5.332 5.704 1.00 0.00 C ATOM 350 C4' DG B 6 -7.571 -5.022 4.761 1.00 0.00 C ATOM 351 O4' DG B 6 -7.104 -5.157 3.436 1.00 0.00 O ATOM 352 C3' DG B 6 -8.713 -6.012 4.956 1.00 0.00 C ATOM 353 O3' DG B 6 -9.952 -5.376 4.734 1.00 0.00 O ATOM 354 C2' DG B 6 -8.484 -7.028 3.861 1.00 0.00 C ATOM 355 C1' DG B 6 -7.848 -6.171 2.786 1.00 0.00 C ATOM 356 N9 DG B 6 -6.926 -6.982 1.984 1.00 0.00 N ATOM 357 C8 DG B 6 -5.658 -7.339 2.324 1.00 0.00 C ATOM 358 N7 DG B 6 -4.920 -7.739 1.326 1.00 0.00 N ATOM 359 C5 DG B 6 -5.804 -7.705 0.247 1.00 0.00 C ATOM 360 C6 DG B 6 -5.578 -7.907 -1.147 1.00 0.00 C ATOM 361 O6 DG B 6 -4.513 -8.113 -1.729 1.00 0.00 O ATOM 362 N1 DG B 6 -6.736 -7.781 -1.895 1.00 0.00 N ATOM 363 C2 DG B 6 -7.975 -7.509 -1.370 1.00 0.00 C ATOM 364 N2 DG B 6 -9.020 -7.559 -2.188 1.00 0.00 N ATOM 365 N3 DG B 6 -8.183 -7.213 -0.085 1.00 0.00 N ATOM 366 C4 DG B 6 -7.055 -7.315 0.663 1.00 0.00 C ATOM 0 H5' DG B 6 -5.662 -4.542 5.640 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.766 -5.351 6.734 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.934 -4.015 4.967 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.735 -6.437 5.959 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.828 -7.837 4.182 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.414 -7.486 3.524 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.678 -6.022 4.860 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.615 -5.750 2.136 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.292 -7.295 3.339 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.664 -7.898 -2.906 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.956 -7.363 -1.833 1.00 0.00 H new ATOM 0 H22 DG B 6 -8.887 -7.794 -3.172 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.542 1.761 3.316 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.594 2.348 2.604 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.071 3.239 1.667 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.721 3.358 1.937 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.730 4.229 1.457 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.489 4.274 2.104 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.255 3.439 3.207 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.219 2.505 3.614 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.440 2.504 2.980 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.884 1.969 3.003 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.970 2.748 2.647 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.023 0.987 3.908 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.929 0.453 4.449 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.657 0.782 4.248 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.915 4.023 1.947 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.885 4.962 2.589 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.433 5.684 3.671 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.867 5.567 4.463 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.512 5.659 1.839 1.00 0.00 H new HETATM 0 H71 PPZ A 7 10.031 4.381 2.936 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.899 4.492 1.962 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.657 3.856 0.901 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.894 2.397 2.898 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.100 -0.363 5.151 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.924 4.862 0.591 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.711 4.952 1.754 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.315 3.517 3.753 1.00 0.00 H new HETATM 0 H10 PPZ A 7 6.006 1.796 4.414 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.581 -3.234 0.854 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.541 -3.307 -0.161 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.905 -3.578 -1.373 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.581 -3.844 -1.082 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.512 -4.309 -1.863 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.330 -4.717 -1.232 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.229 -4.636 0.164 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.264 -4.066 0.921 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.427 -3.703 0.278 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.873 -3.147 0.248 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.900 -3.562 -0.579 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.127 -2.802 1.521 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.106 -2.688 2.370 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.812 -2.906 2.150 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.737 -4.284 -1.832 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.794 -5.478 -1.644 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.475 -6.620 -1.172 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.096 -6.894 -0.311 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.310 -5.711 -2.593 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.005 -5.210 -0.941 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.707 -4.631 -2.187 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.339 -3.615 -2.595 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.852 -3.344 -0.286 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.366 -2.374 3.381 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.600 -4.352 -2.949 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.495 -5.095 -1.822 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.340 -5.019 0.665 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.150 -3.914 1.994 1.00 0.00 H new