USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=8 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 -30:sc= -0.35 (180deg=-1.85!) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -130:sc= 0.496 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.0492 USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.094 (180deg=-1.48) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot 88:sc= 0.547 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.096 -4.176 -10.524 1.00 0.00 O ATOM 2 C5' DC A 1 -9.170 -3.074 -9.643 1.00 0.00 C ATOM 3 C4' DC A 1 -10.071 -3.384 -8.447 1.00 0.00 C ATOM 4 O4' DC A 1 -9.477 -4.395 -7.648 1.00 0.00 O ATOM 5 C3' DC A 1 -10.300 -2.128 -7.625 1.00 0.00 C ATOM 6 O3' DC A 1 -11.606 -2.216 -7.100 1.00 0.00 O ATOM 7 C2' DC A 1 -9.241 -2.385 -6.576 1.00 0.00 C ATOM 8 C1' DC A 1 -9.273 -3.874 -6.357 1.00 0.00 C ATOM 9 N1 DC A 1 -7.982 -4.310 -5.788 1.00 0.00 N ATOM 10 C2 DC A 1 -7.806 -5.593 -5.274 1.00 0.00 C ATOM 11 O2 DC A 1 -8.741 -6.386 -5.180 1.00 0.00 O ATOM 12 N3 DC A 1 -6.566 -5.951 -4.818 1.00 0.00 N ATOM 13 C4 DC A 1 -5.552 -5.074 -4.846 1.00 0.00 C ATOM 14 N4 DC A 1 -4.381 -5.409 -4.316 1.00 0.00 N ATOM 15 C5 DC A 1 -5.758 -3.732 -5.277 1.00 0.00 C ATOM 16 C6 DC A 1 -6.971 -3.406 -5.740 1.00 0.00 C ATOM 0 H5' DC A 1 -9.554 -2.204 -10.176 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.170 -2.817 -9.292 1.00 0.00 H new ATOM 0 H4' DC A 1 -11.035 -3.741 -8.810 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.231 -1.153 -8.108 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.259 -2.056 -6.916 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.457 -1.845 -5.654 1.00 0.00 H new ATOM 0 HO5' DC A 1 -8.515 -3.951 -11.281 1.00 0.00 H new ATOM 0 H1' DC A 1 -10.044 -4.206 -5.661 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.605 -4.747 -4.334 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.258 -6.328 -3.891 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.963 -3.003 -5.232 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.150 -2.398 -6.084 1.00 0.00 H new ATOM 29 P DG A 2 -12.416 -0.919 -6.596 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.615 -1.388 -5.867 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.567 -0.005 -7.750 1.00 0.00 O ATOM 32 O5' DG A 2 -11.430 -0.234 -5.538 1.00 0.00 O ATOM 33 C5' DG A 2 -10.809 1.000 -5.828 1.00 0.00 C ATOM 34 C4' DG A 2 -9.780 1.251 -4.736 1.00 0.00 C ATOM 35 O4' DG A 2 -8.742 0.306 -4.836 1.00 0.00 O ATOM 36 C3' DG A 2 -9.110 2.628 -4.772 1.00 0.00 C ATOM 37 O3' DG A 2 -9.668 3.431 -3.752 1.00 0.00 O ATOM 38 C2' DG A 2 -7.646 2.299 -4.490 1.00 0.00 C ATOM 39 C1' DG A 2 -7.721 0.849 -4.042 1.00 0.00 C ATOM 40 N9 DG A 2 -6.466 0.119 -4.251 1.00 0.00 N ATOM 41 C8 DG A 2 -5.829 -0.205 -5.417 1.00 0.00 C ATOM 42 N7 DG A 2 -4.790 -0.980 -5.254 1.00 0.00 N ATOM 43 C5 DG A 2 -4.750 -1.196 -3.875 1.00 0.00 C ATOM 44 C6 DG A 2 -3.922 -2.047 -3.079 1.00 0.00 C ATOM 45 O6 DG A 2 -3.080 -2.867 -3.453 1.00 0.00 O ATOM 46 N1 DG A 2 -4.180 -1.906 -1.724 1.00 0.00 N ATOM 47 C2 DG A 2 -5.239 -1.201 -1.198 1.00 0.00 C ATOM 48 N2 DG A 2 -5.415 -1.172 0.116 1.00 0.00 N ATOM 49 N3 DG A 2 -6.079 -0.485 -1.943 1.00 0.00 N ATOM 50 C4 DG A 2 -5.771 -0.515 -3.262 1.00 0.00 C ATOM 0 H5' DG A 2 -11.544 1.804 -5.856 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.332 0.970 -6.807 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.349 1.180 -3.809 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.237 3.176 -5.706 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.024 2.419 -5.377 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.226 2.942 -3.717 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.910 0.775 -2.971 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.155 0.148 -6.384 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.540 -2.357 -1.070 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.197 -0.652 0.514 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.768 -1.670 0.728 1.00 0.00 H new ATOM 62 P DA A 3 -9.025 4.850 -3.329 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.109 5.716 -2.815 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.158 5.325 -4.430 1.00 0.00 O ATOM 65 O5' DA A 3 -8.089 4.434 -2.087 1.00 0.00 O ATOM 66 C5' DA A 3 -8.694 4.040 -0.871 1.00 0.00 C ATOM 67 C4' DA A 3 -7.668 3.711 0.217 1.00 0.00 C ATOM 68 O4' DA A 3 -6.802 2.674 -0.216 1.00 0.00 O ATOM 69 C3' DA A 3 -6.811 4.913 0.588 1.00 0.00 C ATOM 70 O3' DA A 3 -6.516 4.806 1.962 1.00 0.00 O ATOM 71 C2' DA A 3 -5.572 4.650 -0.242 1.00 0.00 C ATOM 72 C1' DA A 3 -5.468 3.136 -0.118 1.00 0.00 C ATOM 73 N9 DA A 3 -4.665 2.581 -1.219 1.00 0.00 N ATOM 74 C8 DA A 3 -4.760 2.856 -2.560 1.00 0.00 C ATOM 75 N7 DA A 3 -3.889 2.226 -3.300 1.00 0.00 N ATOM 76 C5 DA A 3 -3.180 1.466 -2.375 1.00 0.00 C ATOM 77 C6 DA A 3 -2.120 0.554 -2.501 1.00 0.00 C ATOM 78 N6 DA A 3 -1.585 0.255 -3.681 1.00 0.00 N ATOM 79 N1 DA A 3 -1.686 -0.100 -1.413 1.00 0.00 N ATOM 80 C2 DA A 3 -2.259 0.159 -0.241 1.00 0.00 C ATOM 81 N3 DA A 3 -3.233 1.025 0.019 1.00 0.00 N ATOM 82 C4 DA A 3 -3.664 1.647 -1.108 1.00 0.00 C ATOM 0 H5' DA A 3 -9.323 3.167 -1.048 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.348 4.838 -0.519 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.239 3.401 1.092 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.250 5.896 0.415 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.690 4.974 -1.276 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.693 5.159 0.153 1.00 0.00 H new ATOM 0 H1' DA A 3 -4.986 2.835 0.812 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.493 3.536 -2.968 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.815 -0.412 -3.738 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.944 0.693 -4.529 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.887 -0.403 0.603 1.00 0.00 H new ATOM 94 P DT A 4 -5.608 5.893 2.722 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.337 7.180 2.720 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.233 5.829 2.177 1.00 0.00 O ATOM 97 O5' DT A 4 -5.611 5.314 4.225 1.00 0.00 O ATOM 98 C5' DT A 4 -5.541 3.924 4.490 1.00 0.00 C ATOM 99 C4' DT A 4 -4.137 3.337 4.335 1.00 0.00 C ATOM 100 O4' DT A 4 -3.777 3.095 2.986 1.00 0.00 O ATOM 101 C3' DT A 4 -3.067 4.252 4.930 1.00 0.00 C ATOM 102 O3' DT A 4 -2.445 3.595 6.012 1.00 0.00 O ATOM 103 C2' DT A 4 -2.108 4.419 3.761 1.00 0.00 C ATOM 104 C1' DT A 4 -2.368 3.151 2.974 1.00 0.00 C ATOM 105 N1 DT A 4 -1.804 3.282 1.621 1.00 0.00 N ATOM 106 C2 DT A 4 -0.778 2.420 1.261 1.00 0.00 C ATOM 107 O2 DT A 4 -0.317 1.583 2.030 1.00 0.00 O ATOM 108 N3 DT A 4 -0.286 2.561 -0.023 1.00 0.00 N ATOM 109 C4 DT A 4 -0.728 3.476 -0.957 1.00 0.00 C ATOM 110 O4 DT A 4 -0.252 3.485 -2.087 1.00 0.00 O ATOM 111 C5 DT A 4 -1.776 4.362 -0.487 1.00 0.00 C ATOM 112 C7 DT A 4 -2.335 5.419 -1.412 1.00 0.00 C ATOM 113 C6 DT A 4 -2.271 4.240 0.766 1.00 0.00 C ATOM 0 H5' DT A 4 -6.220 3.400 3.817 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.892 3.739 5.505 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.179 2.390 4.873 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.436 5.201 5.318 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.323 5.315 3.178 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.071 4.493 4.088 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.914 2.245 3.374 1.00 0.00 H new ATOM 0 H3 DT A 4 0.469 1.935 -0.304 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.562 5.735 -2.112 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.180 5.009 -1.965 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.667 6.276 -0.826 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.049 4.912 1.096 1.00 0.00 H new ATOM 126 P DC A 5 -1.402 4.365 6.964 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.853 4.224 8.366 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.146 5.708 6.397 1.00 0.00 O ATOM 129 O5' DC A 5 -0.063 3.497 6.776 1.00 0.00 O ATOM 130 C5' DC A 5 0.006 2.187 7.301 1.00 0.00 C ATOM 131 C4' DC A 5 1.419 1.601 7.208 1.00 0.00 C ATOM 132 O4' DC A 5 1.789 1.404 5.856 1.00 0.00 O ATOM 133 C3' DC A 5 2.425 2.560 7.830 1.00 0.00 C ATOM 134 O3' DC A 5 3.542 1.851 8.314 1.00 0.00 O ATOM 135 C2' DC A 5 2.789 3.411 6.624 1.00 0.00 C ATOM 136 C1' DC A 5 2.673 2.432 5.453 1.00 0.00 C ATOM 137 N1 DC A 5 2.144 3.079 4.229 1.00 0.00 N ATOM 138 C2 DC A 5 2.537 2.571 2.997 1.00 0.00 C ATOM 139 O2 DC A 5 3.173 1.522 2.912 1.00 0.00 O ATOM 140 N3 DC A 5 2.312 3.317 1.877 1.00 0.00 N ATOM 141 C4 DC A 5 1.633 4.463 1.957 1.00 0.00 C ATOM 142 N4 DC A 5 1.474 5.171 0.845 1.00 0.00 N ATOM 143 C5 DC A 5 1.085 4.931 3.192 1.00 0.00 C ATOM 144 C6 DC A 5 1.376 4.210 4.301 1.00 0.00 C ATOM 0 H5' DC A 5 -0.689 1.544 6.761 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.314 2.197 8.343 1.00 0.00 H new ATOM 0 H4' DC A 5 1.419 0.649 7.738 1.00 0.00 H new ATOM 0 H3' DC A 5 2.056 3.130 8.683 1.00 0.00 H new ATOM 0 H2' DC A 5 2.111 4.257 6.510 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.796 3.819 6.709 1.00 0.00 H new ATOM 0 H1' DC A 5 3.664 2.050 5.208 1.00 0.00 H new ATOM 0 H41 DC A 5 0.960 6.052 0.870 1.00 0.00 H new ATOM 0 H42 DC A 5 1.866 4.834 -0.034 1.00 0.00 H new ATOM 0 H5 DC A 5 0.469 5.817 3.238 1.00 0.00 H new ATOM 0 H6 DC A 5 0.996 4.533 5.259 1.00 0.00 H new ATOM 156 P DG A 6 4.501 2.511 9.425 1.00 0.00 P ATOM 157 OP1 DG A 6 3.772 2.477 10.712 1.00 0.00 O ATOM 158 OP2 DG A 6 5.006 3.806 8.920 1.00 0.00 O ATOM 159 O5' DG A 6 5.721 1.464 9.526 1.00 0.00 O ATOM 160 C5' DG A 6 6.338 0.908 8.380 1.00 0.00 C ATOM 161 C4' DG A 6 7.240 1.888 7.628 1.00 0.00 C ATOM 162 O4' DG A 6 6.516 2.794 6.828 1.00 0.00 O ATOM 163 C3' DG A 6 8.116 2.715 8.547 1.00 0.00 C ATOM 164 O3' DG A 6 9.468 2.345 8.396 1.00 0.00 O ATOM 165 C2' DG A 6 7.919 4.137 8.058 1.00 0.00 C ATOM 166 C1' DG A 6 7.371 3.905 6.667 1.00 0.00 C ATOM 167 N9 DG A 6 6.606 5.067 6.203 1.00 0.00 N ATOM 168 C8 DG A 6 5.319 5.370 6.523 1.00 0.00 C ATOM 169 N7 DG A 6 4.761 6.259 5.750 1.00 0.00 N ATOM 170 C5 DG A 6 5.788 6.604 4.874 1.00 0.00 C ATOM 171 C6 DG A 6 5.777 7.433 3.714 1.00 0.00 C ATOM 172 O6 DG A 6 4.828 8.034 3.211 1.00 0.00 O ATOM 173 N1 DG A 6 7.008 7.481 3.084 1.00 0.00 N ATOM 174 C2 DG A 6 8.137 6.846 3.533 1.00 0.00 C ATOM 175 N2 DG A 6 9.277 7.095 2.896 1.00 0.00 N ATOM 176 N3 DG A 6 8.149 6.009 4.574 1.00 0.00 N ATOM 177 C4 DG A 6 6.940 5.920 5.186 1.00 0.00 C ATOM 0 H5' DG A 6 5.565 0.547 7.702 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.928 0.042 8.681 1.00 0.00 H new ATOM 0 H4' DG A 6 7.858 1.243 7.004 1.00 0.00 H new ATOM 0 H3' DG A 6 7.861 2.584 9.599 1.00 0.00 H new ATOM 0 H2' DG A 6 7.223 4.694 8.685 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.853 4.698 8.042 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.024 2.887 8.993 1.00 0.00 H new ATOM 0 H1' DG A 6 8.157 3.742 5.930 1.00 0.00 H new ATOM 0 H8 DG A 6 4.801 4.911 7.352 1.00 0.00 H new ATOM 0 H1 DG A 6 7.081 8.027 2.226 1.00 0.00 H new ATOM 0 H21 DG A 6 10.140 6.643 3.199 1.00 0.00 H new ATOM 0 H22 DG A 6 9.289 7.738 2.105 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 8.650 6.540 -6.470 1.00 0.00 O ATOM 191 C5' DC B 1 8.474 7.127 -5.201 1.00 0.00 C ATOM 192 C4' DC B 1 9.699 6.845 -4.336 1.00 0.00 C ATOM 193 O4' DC B 1 9.417 7.250 -3.007 1.00 0.00 O ATOM 194 C3' DC B 1 9.897 5.336 -4.300 1.00 0.00 C ATOM 195 O3' DC B 1 11.218 5.004 -3.934 1.00 0.00 O ATOM 196 C2' DC B 1 8.876 4.967 -3.240 1.00 0.00 C ATOM 197 C1' DC B 1 9.041 6.115 -2.243 1.00 0.00 C ATOM 198 N1 DC B 1 7.782 6.381 -1.513 1.00 0.00 N ATOM 199 C2 DC B 1 7.840 7.095 -0.320 1.00 0.00 C ATOM 200 O2 DC B 1 8.913 7.467 0.154 1.00 0.00 O ATOM 201 N3 DC B 1 6.682 7.351 0.356 1.00 0.00 N ATOM 202 C4 DC B 1 5.509 6.925 -0.126 1.00 0.00 C ATOM 203 N4 DC B 1 4.412 7.101 0.602 1.00 0.00 N ATOM 204 C5 DC B 1 5.430 6.170 -1.332 1.00 0.00 C ATOM 205 C6 DC B 1 6.583 5.926 -1.990 1.00 0.00 C ATOM 0 H5' DC B 1 7.579 6.727 -4.724 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.327 8.202 -5.303 1.00 0.00 H new ATOM 0 H4' DC B 1 10.571 7.366 -4.731 1.00 0.00 H new ATOM 0 H3' DC B 1 9.761 4.816 -5.248 1.00 0.00 H new ATOM 0 H2' DC B 1 7.865 4.917 -3.644 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.086 3.998 -2.788 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.863 6.719 -7.025 1.00 0.00 H new ATOM 0 H1' DC B 1 9.790 5.868 -1.491 1.00 0.00 H new ATOM 0 H41 DC B 1 3.509 6.782 0.250 1.00 0.00 H new ATOM 0 H42 DC B 1 4.472 7.555 1.513 1.00 0.00 H new ATOM 0 H5 DC B 1 4.484 5.807 -1.705 1.00 0.00 H new ATOM 0 H6 DC B 1 6.559 5.361 -2.910 1.00 0.00 H new ATOM 218 P DG B 2 11.736 3.492 -4.113 1.00 0.00 P ATOM 219 OP1 DG B 2 11.238 2.696 -2.970 1.00 0.00 O ATOM 220 OP2 DG B 2 13.183 3.523 -4.419 1.00 0.00 O ATOM 221 O5' DG B 2 10.938 3.086 -5.459 1.00 0.00 O ATOM 222 C5' DG B 2 10.585 1.751 -5.769 1.00 0.00 C ATOM 223 C4' DG B 2 9.661 1.140 -4.712 1.00 0.00 C ATOM 224 O4' DG B 2 8.703 2.053 -4.231 1.00 0.00 O ATOM 225 C3' DG B 2 8.832 -0.011 -5.268 1.00 0.00 C ATOM 226 O3' DG B 2 9.519 -1.228 -5.091 1.00 0.00 O ATOM 227 C2' DG B 2 7.543 0.063 -4.448 1.00 0.00 C ATOM 228 C1' DG B 2 7.764 1.264 -3.537 1.00 0.00 C ATOM 229 N9 DG B 2 6.544 2.056 -3.300 1.00 0.00 N ATOM 230 C8 DG B 2 5.976 2.984 -4.127 1.00 0.00 C ATOM 231 N7 DG B 2 4.981 3.641 -3.598 1.00 0.00 N ATOM 232 C5 DG B 2 4.871 3.094 -2.323 1.00 0.00 C ATOM 233 C6 DG B 2 3.982 3.414 -1.252 1.00 0.00 C ATOM 234 O6 DG B 2 3.080 4.251 -1.235 1.00 0.00 O ATOM 235 N1 DG B 2 4.233 2.669 -0.113 1.00 0.00 N ATOM 236 C2 DG B 2 5.237 1.739 0.004 1.00 0.00 C ATOM 237 N2 DG B 2 5.348 1.072 1.147 1.00 0.00 N ATOM 238 N3 DG B 2 6.073 1.428 -0.992 1.00 0.00 N ATOM 239 C4 DG B 2 5.839 2.140 -2.125 1.00 0.00 C ATOM 0 H5' DG B 2 11.489 1.147 -5.852 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.092 1.723 -6.741 1.00 0.00 H new ATOM 0 H4' DG B 2 10.345 0.819 -3.926 1.00 0.00 H new ATOM 0 H3' DG B 2 8.635 0.052 -6.338 1.00 0.00 H new ATOM 0 H2' DG B 2 6.670 0.199 -5.086 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.380 -0.850 -3.875 1.00 0.00 H new ATOM 0 H1' DG B 2 8.090 0.936 -2.550 1.00 0.00 H new ATOM 0 H8 DG B 2 6.322 3.159 -5.135 1.00 0.00 H new ATOM 0 H1 DG B 2 3.630 2.821 0.696 1.00 0.00 H new ATOM 0 H21 DG B 2 6.084 0.376 1.262 1.00 0.00 H new ATOM 0 H22 DG B 2 4.697 1.256 1.910 1.00 0.00 H new ATOM 251 P DA B 3 8.817 -2.633 -5.430 1.00 0.00 P ATOM 252 OP1 DA B 3 9.866 -3.671 -5.536 1.00 0.00 O ATOM 253 OP2 DA B 3 7.856 -2.428 -6.537 1.00 0.00 O ATOM 254 O5' DA B 3 7.992 -2.885 -4.076 1.00 0.00 O ATOM 255 C5' DA B 3 8.691 -3.116 -2.871 1.00 0.00 C ATOM 256 C4' DA B 3 7.725 -3.519 -1.761 1.00 0.00 C ATOM 257 O4' DA B 3 6.917 -2.415 -1.376 1.00 0.00 O ATOM 258 C3' DA B 3 6.826 -4.640 -2.268 1.00 0.00 C ATOM 259 O3' DA B 3 6.841 -5.686 -1.323 1.00 0.00 O ATOM 260 C2' DA B 3 5.485 -3.937 -2.412 1.00 0.00 C ATOM 261 C1' DA B 3 5.548 -2.776 -1.428 1.00 0.00 C ATOM 262 N9 DA B 3 4.783 -1.654 -2.006 1.00 0.00 N ATOM 263 C8 DA B 3 4.905 -1.158 -3.277 1.00 0.00 C ATOM 264 N7 DA B 3 4.044 -0.229 -3.583 1.00 0.00 N ATOM 265 C5 DA B 3 3.321 -0.076 -2.406 1.00 0.00 C ATOM 266 C6 DA B 3 2.270 0.782 -2.048 1.00 0.00 C ATOM 267 N6 DA B 3 1.764 1.651 -2.918 1.00 0.00 N ATOM 268 N1 DA B 3 1.831 0.794 -0.779 1.00 0.00 N ATOM 269 C2 DA B 3 2.390 -0.045 0.092 1.00 0.00 C ATOM 270 N3 DA B 3 3.348 -0.943 -0.133 1.00 0.00 N ATOM 271 C4 DA B 3 3.790 -0.901 -1.418 1.00 0.00 C ATOM 0 H5' DA B 3 9.233 -2.216 -2.580 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.432 -3.901 -3.019 1.00 0.00 H new ATOM 0 H4' DA B 3 8.300 -3.853 -0.897 1.00 0.00 H new ATOM 0 H3' DA B 3 7.117 -5.111 -3.207 1.00 0.00 H new ATOM 0 H2' DA B 3 5.331 -3.584 -3.432 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.659 -4.609 -2.179 1.00 0.00 H new ATOM 0 H1' DA B 3 5.149 -3.024 -0.445 1.00 0.00 H new ATOM 0 H8 DA B 3 5.655 -1.509 -3.970 1.00 0.00 H new ATOM 0 H61 DA B 3 1.000 2.266 -2.639 1.00 0.00 H new ATOM 0 H62 DA B 3 2.140 1.702 -3.865 1.00 0.00 H new ATOM 0 H2 DA B 3 2.021 0.010 1.106 1.00 0.00 H new ATOM 283 P DT B 4 5.784 -6.897 -1.370 1.00 0.00 P ATOM 284 OP1 DT B 4 6.413 -8.102 -0.785 1.00 0.00 O ATOM 285 OP2 DT B 4 5.151 -6.949 -2.706 1.00 0.00 O ATOM 286 O5' DT B 4 4.733 -6.310 -0.320 1.00 0.00 O ATOM 287 C5' DT B 4 5.204 -5.928 0.955 1.00 0.00 C ATOM 288 C4' DT B 4 4.124 -5.190 1.732 1.00 0.00 C ATOM 289 O4' DT B 4 3.656 -4.094 0.964 1.00 0.00 O ATOM 290 C3' DT B 4 2.950 -6.126 1.993 1.00 0.00 C ATOM 291 O3' DT B 4 2.480 -5.889 3.299 1.00 0.00 O ATOM 292 C2' DT B 4 1.964 -5.666 0.935 1.00 0.00 C ATOM 293 C1' DT B 4 2.247 -4.177 0.916 1.00 0.00 C ATOM 294 N1 DT B 4 1.728 -3.606 -0.335 1.00 0.00 N ATOM 295 C2 DT B 4 0.745 -2.634 -0.245 1.00 0.00 C ATOM 296 O2 DT B 4 0.256 -2.281 0.824 1.00 0.00 O ATOM 297 N3 DT B 4 0.332 -2.080 -1.440 1.00 0.00 N ATOM 298 C4 DT B 4 0.790 -2.424 -2.693 1.00 0.00 C ATOM 299 O4 DT B 4 0.351 -1.853 -3.687 1.00 0.00 O ATOM 300 C5 DT B 4 1.799 -3.467 -2.699 1.00 0.00 C ATOM 301 C7 DT B 4 2.383 -3.927 -4.012 1.00 0.00 C ATOM 302 C6 DT B 4 2.228 -4.019 -1.539 1.00 0.00 C ATOM 0 H5' DT B 4 6.081 -5.290 0.847 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.519 -6.811 1.511 1.00 0.00 H new ATOM 0 H4' DT B 4 4.542 -4.841 2.676 1.00 0.00 H new ATOM 0 H3' DT B 4 3.160 -7.194 1.935 1.00 0.00 H new ATOM 0 H2' DT B 4 2.146 -6.134 -0.032 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.932 -5.888 1.207 1.00 0.00 H new ATOM 0 H1' DT B 4 1.780 -3.632 1.736 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.377 -1.349 -1.391 1.00 0.00 H new ATOM 0 H71 DT B 4 1.640 -3.813 -4.801 1.00 0.00 H new ATOM 0 H72 DT B 4 3.260 -3.326 -4.250 1.00 0.00 H new ATOM 0 H73 DT B 4 2.671 -4.975 -3.935 1.00 0.00 H new ATOM 0 H6 DT B 4 2.976 -4.797 -1.565 1.00 0.00 H new ATOM 315 P DC B 5 1.254 -6.726 3.909 1.00 0.00 P ATOM 316 OP1 DC B 5 1.543 -7.014 5.331 1.00 0.00 O ATOM 317 OP2 DC B 5 0.920 -7.828 2.980 1.00 0.00 O ATOM 318 O5' DC B 5 0.067 -5.651 3.849 1.00 0.00 O ATOM 319 C5' DC B 5 0.111 -4.513 4.686 1.00 0.00 C ATOM 320 C4' DC B 5 -1.290 -4.022 5.067 1.00 0.00 C ATOM 321 O4' DC B 5 -1.917 -3.374 3.978 1.00 0.00 O ATOM 322 C3' DC B 5 -2.185 -5.198 5.435 1.00 0.00 C ATOM 323 O3' DC B 5 -3.231 -4.761 6.274 1.00 0.00 O ATOM 324 C2' DC B 5 -2.683 -5.609 4.057 1.00 0.00 C ATOM 325 C1' DC B 5 -2.733 -4.304 3.287 1.00 0.00 C ATOM 326 N1 DC B 5 -2.279 -4.426 1.884 1.00 0.00 N ATOM 327 C2 DC B 5 -2.625 -3.403 1.015 1.00 0.00 C ATOM 328 O2 DC B 5 -3.253 -2.421 1.402 1.00 0.00 O ATOM 329 N3 DC B 5 -2.356 -3.543 -0.313 1.00 0.00 N ATOM 330 C4 DC B 5 -1.714 -4.622 -0.763 1.00 0.00 C ATOM 331 N4 DC B 5 -1.497 -4.699 -2.071 1.00 0.00 N ATOM 332 C5 DC B 5 -1.272 -5.657 0.121 1.00 0.00 C ATOM 333 C6 DC B 5 -1.592 -5.519 1.432 1.00 0.00 C ATOM 0 H5' DC B 5 0.650 -3.712 4.180 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.670 -4.751 5.591 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.164 -3.338 5.906 1.00 0.00 H new ATOM 0 H3' DC B 5 -1.705 -6.007 5.985 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.011 -6.326 3.586 1.00 0.00 H new ATOM 0 H2'' DC B 5 -3.665 -6.080 4.110 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.772 -3.978 3.233 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.010 -5.506 -2.460 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.818 -3.951 -2.686 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.711 -6.507 -0.238 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.299 -6.287 2.132 1.00 0.00 H new ATOM 345 P DG B 6 -4.201 -5.822 6.994 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.908 -5.134 8.096 1.00 0.00 O ATOM 347 OP2 DG B 6 -3.419 -7.048 7.268 1.00 0.00 O ATOM 348 O5' DG B 6 -5.264 -6.145 5.839 1.00 0.00 O ATOM 349 C5' DG B 6 -6.203 -5.161 5.463 1.00 0.00 C ATOM 350 C4' DG B 6 -7.045 -5.640 4.284 1.00 0.00 C ATOM 351 O4' DG B 6 -6.249 -5.896 3.153 1.00 0.00 O ATOM 352 C3' DG B 6 -7.802 -6.921 4.567 1.00 0.00 C ATOM 353 O3' DG B 6 -9.177 -6.650 4.721 1.00 0.00 O ATOM 354 C2' DG B 6 -7.585 -7.774 3.328 1.00 0.00 C ATOM 355 C1' DG B 6 -7.030 -6.755 2.353 1.00 0.00 C ATOM 356 N9 DG B 6 -6.180 -7.366 1.322 1.00 0.00 N ATOM 357 C8 DG B 6 -4.840 -7.593 1.416 1.00 0.00 C ATOM 358 N7 DG B 6 -4.246 -7.798 0.275 1.00 0.00 N ATOM 359 C5 DG B 6 -5.290 -7.735 -0.647 1.00 0.00 C ATOM 360 C6 DG B 6 -5.270 -7.737 -2.073 1.00 0.00 C ATOM 361 O6 DG B 6 -4.298 -7.773 -2.827 1.00 0.00 O ATOM 362 N1 DG B 6 -6.534 -7.615 -2.624 1.00 0.00 N ATOM 363 C2 DG B 6 -7.696 -7.527 -1.900 1.00 0.00 C ATOM 364 N2 DG B 6 -8.843 -7.523 -2.574 1.00 0.00 N ATOM 365 N3 DG B 6 -7.725 -7.441 -0.565 1.00 0.00 N ATOM 366 C4 DG B 6 -6.489 -7.534 -0.004 1.00 0.00 C ATOM 0 H5' DG B 6 -5.685 -4.240 5.196 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.851 -4.928 6.308 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.749 -4.827 4.107 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.462 -7.409 5.480 1.00 0.00 H new ATOM 0 H2' DG B 6 -6.886 -8.591 3.510 1.00 0.00 H new ATOM 0 H2'' DG B 6 -8.512 -8.221 2.970 1.00 0.00 H new ATOM 0 HO3' DG B 6 -9.657 -7.485 4.902 1.00 0.00 H new ATOM 0 H1' DG B 6 -7.835 -6.252 1.818 1.00 0.00 H new ATOM 0 H8 DG B 6 -4.314 -7.602 2.359 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.607 -7.589 -3.641 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.729 -7.459 -2.073 1.00 0.00 H new ATOM 0 H22 DG B 6 -8.836 -7.584 -3.592 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.193 1.958 3.806 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.278 2.328 3.005 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.821 3.117 1.950 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.495 3.406 2.207 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.584 4.285 1.601 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.357 4.535 2.228 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.061 3.897 3.442 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.938 2.940 3.981 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.152 2.739 3.363 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.537 1.893 3.442 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.677 2.504 2.954 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.611 1.040 4.476 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.486 0.695 5.100 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.243 1.117 4.871 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.702 3.664 2.075 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.806 4.778 2.631 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.474 5.533 3.620 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.906 5.606 4.415 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.494 5.435 1.819 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.901 4.342 3.054 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.724 4.028 1.973 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.364 3.380 1.079 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.575 2.109 3.233 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.597 -0.030 5.906 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.828 4.767 0.654 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.638 5.219 1.777 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.142 4.146 3.972 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.663 2.370 4.868 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.474 -3.754 1.186 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.570 -3.828 0.318 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.111 -3.848 -0.998 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.737 -3.984 -0.945 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.773 -4.239 -1.933 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.469 -4.564 -1.543 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.130 -4.556 -0.182 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.085 -4.218 0.791 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.378 -3.970 0.385 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.831 -3.907 0.929 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.925 -4.341 0.204 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.918 -3.759 2.261 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.796 -3.620 2.965 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.535 -3.637 2.537 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.896 -4.850 -1.159 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.792 -5.902 -1.327 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.252 -7.214 -1.088 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.608 -7.592 -1.919 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.388 -5.841 -2.337 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.974 -5.677 -0.643 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.862 -5.288 -1.408 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.729 -4.028 -1.855 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.834 -4.301 0.666 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.928 -3.472 4.037 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -7.037 -4.185 -2.989 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.721 -4.822 -2.293 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.116 -4.814 0.123 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.809 -4.153 1.844 1.00 0.00 H new