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 180:sc= -0.153 USER MOD Single : A 4 DT C7 :methyl -30:sc= -1.22 (180deg=-2.26!) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -130:sc= 0.568 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 -122:sc= 0.54 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -10.357 -0.067 -8.307 1.00 0.00 O ATOM 2 C5' DC A 1 -9.820 -1.371 -8.301 1.00 0.00 C ATOM 3 C4' DC A 1 -10.825 -2.332 -7.669 1.00 0.00 C ATOM 4 O4' DC A 1 -10.173 -3.556 -7.371 1.00 0.00 O ATOM 5 C3' DC A 1 -11.246 -1.720 -6.339 1.00 0.00 C ATOM 6 O3' DC A 1 -12.447 -2.316 -5.894 1.00 0.00 O ATOM 7 C2' DC A 1 -10.066 -2.174 -5.500 1.00 0.00 C ATOM 8 C1' DC A 1 -9.968 -3.621 -5.970 1.00 0.00 C ATOM 9 N1 DC A 1 -8.642 -4.192 -5.673 1.00 0.00 N ATOM 10 C2 DC A 1 -8.568 -5.438 -5.066 1.00 0.00 C ATOM 11 O2 DC A 1 -9.584 -6.081 -4.810 1.00 0.00 O ATOM 12 N3 DC A 1 -7.341 -5.933 -4.725 1.00 0.00 N ATOM 13 C4 DC A 1 -6.230 -5.242 -5.009 1.00 0.00 C ATOM 14 N4 DC A 1 -5.065 -5.669 -4.533 1.00 0.00 N ATOM 15 C5 DC A 1 -6.288 -3.975 -5.661 1.00 0.00 C ATOM 16 C6 DC A 1 -7.512 -3.489 -5.966 1.00 0.00 C ATOM 0 H5' DC A 1 -8.884 -1.388 -7.743 1.00 0.00 H new ATOM 0 H5'' DC A 1 -9.590 -1.686 -9.319 1.00 0.00 H new ATOM 0 H4' DC A 1 -11.668 -2.500 -8.340 1.00 0.00 H new ATOM 0 H3' DC A 1 -11.441 -0.648 -6.334 1.00 0.00 H new ATOM 0 H2' DC A 1 -9.160 -1.604 -5.707 1.00 0.00 H new ATOM 0 H2'' DC A 1 -10.256 -2.093 -4.430 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.712 0.551 -8.711 1.00 0.00 H new ATOM 0 H1' DC A 1 -10.694 -4.260 -5.467 1.00 0.00 H new ATOM 0 H41 DC A 1 -4.210 -5.154 -4.740 1.00 0.00 H new ATOM 0 H42 DC A 1 -5.026 -6.512 -3.960 1.00 0.00 H new ATOM 0 H5 DC A 1 -5.390 -3.426 -5.902 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.596 -2.527 -6.450 1.00 0.00 H new ATOM 29 P DG A 2 -13.406 -1.597 -4.814 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.975 -2.648 -3.942 1.00 0.00 O ATOM 31 OP2 DG A 2 -14.306 -0.676 -5.542 1.00 0.00 O ATOM 32 O5' DG A 2 -12.405 -0.710 -3.932 1.00 0.00 O ATOM 33 C5' DG A 2 -11.953 0.538 -4.411 1.00 0.00 C ATOM 34 C4' DG A 2 -10.816 1.012 -3.518 1.00 0.00 C ATOM 35 O4' DG A 2 -9.761 0.076 -3.579 1.00 0.00 O ATOM 36 C3' DG A 2 -10.237 2.361 -3.952 1.00 0.00 C ATOM 37 O3' DG A 2 -10.499 3.289 -2.921 1.00 0.00 O ATOM 38 C2' DG A 2 -8.749 2.065 -4.105 1.00 0.00 C ATOM 39 C1' DG A 2 -8.585 0.788 -3.299 1.00 0.00 C ATOM 40 N9 DG A 2 -7.419 0.019 -3.755 1.00 0.00 N ATOM 41 C8 DG A 2 -7.045 -0.300 -5.029 1.00 0.00 C ATOM 42 N7 DG A 2 -5.969 -1.034 -5.103 1.00 0.00 N ATOM 43 C5 DG A 2 -5.625 -1.249 -3.769 1.00 0.00 C ATOM 44 C6 DG A 2 -4.587 -2.033 -3.181 1.00 0.00 C ATOM 45 O6 DG A 2 -3.740 -2.735 -3.739 1.00 0.00 O ATOM 46 N1 DG A 2 -4.597 -1.967 -1.796 1.00 0.00 N ATOM 47 C2 DG A 2 -5.557 -1.316 -1.053 1.00 0.00 C ATOM 48 N2 DG A 2 -5.492 -1.351 0.271 1.00 0.00 N ATOM 49 N3 DG A 2 -6.542 -0.602 -1.591 1.00 0.00 N ATOM 50 C4 DG A 2 -6.518 -0.609 -2.944 1.00 0.00 C ATOM 0 H5' DG A 2 -12.767 1.263 -4.406 1.00 0.00 H new ATOM 0 H5'' DG A 2 -11.613 0.448 -5.443 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.231 1.114 -2.515 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.651 2.781 -4.869 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.468 1.925 -5.149 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.132 2.874 -3.714 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.429 0.982 -2.238 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.593 0.027 -5.900 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.842 -2.432 -1.293 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.199 -0.872 0.829 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.735 -1.857 0.731 1.00 0.00 H new ATOM 62 P DA A 3 -9.725 4.698 -2.808 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.616 5.668 -2.133 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.124 5.027 -4.119 1.00 0.00 O ATOM 65 O5' DA A 3 -8.552 4.301 -1.787 1.00 0.00 O ATOM 66 C5' DA A 3 -8.892 3.848 -0.494 1.00 0.00 C ATOM 67 C4' DA A 3 -7.649 3.590 0.353 1.00 0.00 C ATOM 68 O4' DA A 3 -6.868 2.543 -0.196 1.00 0.00 O ATOM 69 C3' DA A 3 -6.764 4.828 0.450 1.00 0.00 C ATOM 70 O3' DA A 3 -6.431 4.958 1.809 1.00 0.00 O ATOM 71 C2' DA A 3 -5.547 4.428 -0.366 1.00 0.00 C ATOM 72 C1' DA A 3 -5.510 2.927 -0.114 1.00 0.00 C ATOM 73 N9 DA A 3 -4.742 2.261 -1.178 1.00 0.00 N ATOM 74 C8 DA A 3 -4.859 2.445 -2.532 1.00 0.00 C ATOM 75 N7 DA A 3 -4.006 1.762 -3.241 1.00 0.00 N ATOM 76 C5 DA A 3 -3.289 1.061 -2.280 1.00 0.00 C ATOM 77 C6 DA A 3 -2.223 0.156 -2.368 1.00 0.00 C ATOM 78 N6 DA A 3 -1.692 -0.159 -3.544 1.00 0.00 N ATOM 79 N1 DA A 3 -1.751 -0.421 -1.250 1.00 0.00 N ATOM 80 C2 DA A 3 -2.312 -0.096 -0.086 1.00 0.00 C ATOM 81 N3 DA A 3 -3.286 0.784 0.138 1.00 0.00 N ATOM 82 C4 DA A 3 -3.745 1.330 -1.018 1.00 0.00 C ATOM 0 H5' DA A 3 -9.478 2.932 -0.571 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.522 4.589 -0.002 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.007 3.317 1.346 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.200 5.764 0.101 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.663 4.666 -1.423 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.640 4.926 -0.025 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.045 2.664 0.836 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.596 3.100 -2.973 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.916 -0.819 -3.593 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.060 0.260 -4.398 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.929 -0.610 0.783 1.00 0.00 H new ATOM 94 P DT A 4 -5.472 6.123 2.352 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.173 7.417 2.202 1.00 0.00 O ATOM 96 OP2 DT A 4 -4.119 5.942 1.778 1.00 0.00 O ATOM 97 O5' DT A 4 -5.445 5.730 3.910 1.00 0.00 O ATOM 98 C5' DT A 4 -5.547 4.377 4.318 1.00 0.00 C ATOM 99 C4' DT A 4 -4.224 3.615 4.217 1.00 0.00 C ATOM 100 O4' DT A 4 -3.855 3.253 2.896 1.00 0.00 O ATOM 101 C3' DT A 4 -3.079 4.440 4.799 1.00 0.00 C ATOM 102 O3' DT A 4 -2.546 3.720 5.890 1.00 0.00 O ATOM 103 C2' DT A 4 -2.129 4.516 3.610 1.00 0.00 C ATOM 104 C1' DT A 4 -2.442 3.214 2.912 1.00 0.00 C ATOM 105 N1 DT A 4 -1.840 3.200 1.569 1.00 0.00 N ATOM 106 C2 DT A 4 -0.803 2.308 1.324 1.00 0.00 C ATOM 107 O2 DT A 4 -0.321 1.591 2.194 1.00 0.00 O ATOM 108 N3 DT A 4 -0.318 2.283 0.029 1.00 0.00 N ATOM 109 C4 DT A 4 -0.776 3.060 -1.016 1.00 0.00 C ATOM 110 O4 DT A 4 -0.314 2.918 -2.143 1.00 0.00 O ATOM 111 C5 DT A 4 -1.813 4.007 -0.656 1.00 0.00 C ATOM 112 C7 DT A 4 -2.393 4.914 -1.716 1.00 0.00 C ATOM 113 C6 DT A 4 -2.299 4.048 0.605 1.00 0.00 C ATOM 0 H5' DT A 4 -6.296 3.875 3.705 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.902 4.341 5.348 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.394 2.699 4.783 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.327 5.429 5.183 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.327 5.382 2.978 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.085 4.579 3.918 1.00 0.00 H new ATOM 0 H1' DT A 4 -2.050 2.313 3.384 1.00 0.00 H new ATOM 0 H3 DT A 4 0.444 1.635 -0.171 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.636 5.119 -2.473 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.250 4.427 -2.182 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.712 5.851 -1.259 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.066 4.767 0.854 1.00 0.00 H new ATOM 126 P DC A 5 -1.134 4.107 6.548 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.046 3.498 7.893 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.895 5.555 6.362 1.00 0.00 O ATOM 129 O5' DC A 5 -0.157 3.300 5.564 1.00 0.00 O ATOM 130 C5' DC A 5 -0.131 1.887 5.601 1.00 0.00 C ATOM 131 C4' DC A 5 1.170 1.336 6.198 1.00 0.00 C ATOM 132 O4' DC A 5 2.146 1.141 5.195 1.00 0.00 O ATOM 133 C3' DC A 5 1.816 2.302 7.179 1.00 0.00 C ATOM 134 O3' DC A 5 2.664 1.575 8.041 1.00 0.00 O ATOM 135 C2' DC A 5 2.598 3.215 6.240 1.00 0.00 C ATOM 136 C1' DC A 5 2.878 2.339 5.016 1.00 0.00 C ATOM 137 N1 DC A 5 2.491 2.949 3.719 1.00 0.00 N ATOM 138 C2 DC A 5 2.970 2.344 2.567 1.00 0.00 C ATOM 139 O2 DC A 5 3.657 1.327 2.618 1.00 0.00 O ATOM 140 N3 DC A 5 2.759 2.944 1.362 1.00 0.00 N ATOM 141 C4 DC A 5 2.006 4.043 1.281 1.00 0.00 C ATOM 142 N4 DC A 5 1.834 4.592 0.083 1.00 0.00 N ATOM 143 C5 DC A 5 1.387 4.616 2.435 1.00 0.00 C ATOM 144 C6 DC A 5 1.681 4.049 3.629 1.00 0.00 C ATOM 0 H5' DC A 5 -0.256 1.499 4.590 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.976 1.527 6.187 1.00 0.00 H new ATOM 0 H4' DC A 5 0.880 0.408 6.690 1.00 0.00 H new ATOM 0 H3' DC A 5 1.131 2.851 7.825 1.00 0.00 H new ATOM 0 H2' DC A 5 2.021 4.101 5.973 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.522 3.563 6.701 1.00 0.00 H new ATOM 0 H1' DC A 5 3.956 2.186 4.957 1.00 0.00 H new ATOM 0 H41 DC A 5 1.265 5.432 -0.016 1.00 0.00 H new ATOM 0 H42 DC A 5 2.271 4.173 -0.738 1.00 0.00 H new ATOM 0 H5 DC A 5 0.717 5.460 2.358 1.00 0.00 H new ATOM 0 H6 DC A 5 1.267 4.474 4.531 1.00 0.00 H new ATOM 156 P DG A 6 3.482 2.312 9.209 1.00 0.00 P ATOM 157 OP1 DG A 6 3.870 1.303 10.219 1.00 0.00 O ATOM 158 OP2 DG A 6 2.726 3.518 9.615 1.00 0.00 O ATOM 159 O5' DG A 6 4.803 2.778 8.429 1.00 0.00 O ATOM 160 C5' DG A 6 5.790 1.829 8.073 1.00 0.00 C ATOM 161 C4' DG A 6 6.987 2.516 7.414 1.00 0.00 C ATOM 162 O4' DG A 6 6.588 3.041 6.153 1.00 0.00 O ATOM 163 C3' DG A 6 7.432 3.697 8.278 1.00 0.00 C ATOM 164 O3' DG A 6 8.819 3.923 8.141 1.00 0.00 O ATOM 165 C2' DG A 6 6.664 4.793 7.578 1.00 0.00 C ATOM 166 C1' DG A 6 6.910 4.415 6.170 1.00 0.00 C ATOM 167 N9 DG A 6 6.019 5.220 5.341 1.00 0.00 N ATOM 168 C8 DG A 6 4.688 5.358 5.535 1.00 0.00 C ATOM 169 N7 DG A 6 4.067 6.012 4.595 1.00 0.00 N ATOM 170 C5 DG A 6 5.112 6.429 3.769 1.00 0.00 C ATOM 171 C6 DG A 6 5.103 7.185 2.560 1.00 0.00 C ATOM 172 O6 DG A 6 4.140 7.525 1.874 1.00 0.00 O ATOM 173 N1 DG A 6 6.378 7.521 2.139 1.00 0.00 N ATOM 174 C2 DG A 6 7.532 7.193 2.805 1.00 0.00 C ATOM 175 N2 DG A 6 8.667 7.736 2.381 1.00 0.00 N ATOM 176 N3 DG A 6 7.565 6.404 3.882 1.00 0.00 N ATOM 177 C4 DG A 6 6.324 6.050 4.300 1.00 0.00 C ATOM 0 H5' DG A 6 5.365 1.094 7.390 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.118 1.288 8.960 1.00 0.00 H new ATOM 0 H4' DG A 6 7.794 1.793 7.299 1.00 0.00 H new ATOM 0 H3' DG A 6 7.258 3.589 9.349 1.00 0.00 H new ATOM 0 H2' DG A 6 5.604 4.788 7.832 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.044 5.786 7.816 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.083 4.683 8.700 1.00 0.00 H new ATOM 0 H1' DG A 6 7.920 4.582 5.796 1.00 0.00 H new ATOM 0 H8 DG A 6 4.180 4.958 6.400 1.00 0.00 H new ATOM 0 H1 DG A 6 6.466 8.050 1.272 1.00 0.00 H new ATOM 0 H21 DG A 6 9.545 7.516 2.851 1.00 0.00 H new ATOM 0 H22 DG A 6 8.661 8.374 1.585 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 10.020 9.148 -5.160 1.00 0.00 O ATOM 191 C5' DC B 1 10.124 7.737 -5.151 1.00 0.00 C ATOM 192 C4' DC B 1 11.055 7.241 -4.041 1.00 0.00 C ATOM 193 O4' DC B 1 10.457 7.488 -2.778 1.00 0.00 O ATOM 194 C3' DC B 1 11.220 5.728 -4.143 1.00 0.00 C ATOM 195 O3' DC B 1 12.394 5.320 -3.472 1.00 0.00 O ATOM 196 C2' DC B 1 9.969 5.276 -3.421 1.00 0.00 C ATOM 197 C1' DC B 1 9.831 6.306 -2.302 1.00 0.00 C ATOM 198 N1 DC B 1 8.394 6.501 -1.987 1.00 0.00 N ATOM 199 C2 DC B 1 8.018 7.374 -0.969 1.00 0.00 C ATOM 200 O2 DC B 1 8.844 8.072 -0.383 1.00 0.00 O ATOM 201 N3 DC B 1 6.707 7.420 -0.585 1.00 0.00 N ATOM 202 C4 DC B 1 5.795 6.656 -1.198 1.00 0.00 C ATOM 203 N4 DC B 1 4.564 6.590 -0.706 1.00 0.00 N ATOM 204 C5 DC B 1 6.158 5.763 -2.244 1.00 0.00 C ATOM 205 C6 DC B 1 7.457 5.719 -2.601 1.00 0.00 C ATOM 0 H5' DC B 1 10.495 7.394 -6.117 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.134 7.301 -5.017 1.00 0.00 H new ATOM 0 H4' DC B 1 12.011 7.754 -4.143 1.00 0.00 H new ATOM 0 H3' DC B 1 11.323 5.328 -5.152 1.00 0.00 H new ATOM 0 H2' DC B 1 9.100 5.276 -4.079 1.00 0.00 H new ATOM 0 H2'' DC B 1 10.072 4.264 -3.029 1.00 0.00 H new ATOM 0 HO5' DC B 1 9.419 9.427 -5.882 1.00 0.00 H new ATOM 0 H1' DC B 1 10.306 5.992 -1.373 1.00 0.00 H new ATOM 0 H41 DC B 1 3.861 6.011 -1.166 1.00 0.00 H new ATOM 0 H42 DC B 1 4.321 7.119 0.132 1.00 0.00 H new ATOM 0 H5 DC B 1 5.421 5.144 -2.733 1.00 0.00 H new ATOM 0 H6 DC B 1 7.764 5.050 -3.391 1.00 0.00 H new ATOM 218 P DG B 2 12.716 3.756 -3.258 1.00 0.00 P ATOM 219 OP1 DG B 2 11.903 3.279 -2.117 1.00 0.00 O ATOM 220 OP2 DG B 2 14.183 3.572 -3.250 1.00 0.00 O ATOM 221 O5' DG B 2 12.128 3.149 -4.633 1.00 0.00 O ATOM 222 C5' DG B 2 11.983 1.759 -4.850 1.00 0.00 C ATOM 223 C4' DG B 2 11.027 1.116 -3.843 1.00 0.00 C ATOM 224 O4' DG B 2 9.870 1.900 -3.634 1.00 0.00 O ATOM 225 C3' DG B 2 10.530 -0.247 -4.325 1.00 0.00 C ATOM 226 O3' DG B 2 10.987 -1.218 -3.411 1.00 0.00 O ATOM 227 C2' DG B 2 9.009 -0.107 -4.287 1.00 0.00 C ATOM 228 C1' DG B 2 8.858 0.996 -3.257 1.00 0.00 C ATOM 229 N9 DG B 2 7.555 1.677 -3.269 1.00 0.00 N ATOM 230 C8 DG B 2 7.041 2.529 -4.207 1.00 0.00 C ATOM 231 N7 DG B 2 5.938 3.124 -3.841 1.00 0.00 N ATOM 232 C5 DG B 2 5.698 2.619 -2.563 1.00 0.00 C ATOM 233 C6 DG B 2 4.676 2.920 -1.612 1.00 0.00 C ATOM 234 O6 DG B 2 3.779 3.762 -1.693 1.00 0.00 O ATOM 235 N1 DG B 2 4.777 2.150 -0.463 1.00 0.00 N ATOM 236 C2 DG B 2 5.834 1.314 -0.180 1.00 0.00 C ATOM 237 N2 DG B 2 5.835 0.639 0.962 1.00 0.00 N ATOM 238 N3 DG B 2 6.828 1.075 -1.036 1.00 0.00 N ATOM 239 C4 DG B 2 6.692 1.741 -2.208 1.00 0.00 C ATOM 0 H5' DG B 2 12.959 1.278 -4.781 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.614 1.587 -5.861 1.00 0.00 H new ATOM 0 H4' DG B 2 11.605 1.023 -2.924 1.00 0.00 H new ATOM 0 H3' DG B 2 10.877 -0.542 -5.315 1.00 0.00 H new ATOM 0 H2' DG B 2 8.594 0.171 -5.256 1.00 0.00 H new ATOM 0 H2'' DG B 2 8.515 -1.030 -3.982 1.00 0.00 H new ATOM 0 H1' DG B 2 8.930 0.596 -2.246 1.00 0.00 H new ATOM 0 H8 DG B 2 7.507 2.695 -5.167 1.00 0.00 H new ATOM 0 H1 DG B 2 4.019 2.207 0.217 1.00 0.00 H new ATOM 0 H21 DG B 2 6.611 0.016 1.185 1.00 0.00 H new ATOM 0 H22 DG B 2 5.060 0.743 1.617 1.00 0.00 H new ATOM 251 P DA B 3 10.566 -2.763 -3.555 1.00 0.00 P ATOM 252 OP1 DA B 3 11.615 -3.593 -2.924 1.00 0.00 O ATOM 253 OP2 DA B 3 10.168 -3.011 -4.958 1.00 0.00 O ATOM 254 O5' DA B 3 9.253 -2.829 -2.633 1.00 0.00 O ATOM 255 C5' DA B 3 9.383 -2.833 -1.226 1.00 0.00 C ATOM 256 C4' DA B 3 8.070 -3.261 -0.572 1.00 0.00 C ATOM 257 O4' DA B 3 7.116 -2.218 -0.554 1.00 0.00 O ATOM 258 C3' DA B 3 7.477 -4.440 -1.330 1.00 0.00 C ATOM 259 O3' DA B 3 7.558 -5.562 -0.479 1.00 0.00 O ATOM 260 C2' DA B 3 6.060 -3.972 -1.653 1.00 0.00 C ATOM 261 C1' DA B 3 5.829 -2.774 -0.742 1.00 0.00 C ATOM 262 N9 DA B 3 5.027 -1.778 -1.470 1.00 0.00 N ATOM 263 C8 DA B 3 5.277 -1.293 -2.725 1.00 0.00 C ATOM 264 N7 DA B 3 4.401 -0.428 -3.154 1.00 0.00 N ATOM 265 C5 DA B 3 3.540 -0.293 -2.070 1.00 0.00 C ATOM 266 C6 DA B 3 2.420 0.521 -1.844 1.00 0.00 C ATOM 267 N6 DA B 3 1.945 1.320 -2.795 1.00 0.00 N ATOM 268 N1 DA B 3 1.838 0.521 -0.633 1.00 0.00 N ATOM 269 C2 DA B 3 2.340 -0.275 0.309 1.00 0.00 C ATOM 270 N3 DA B 3 3.358 -1.126 0.210 1.00 0.00 N ATOM 271 C4 DA B 3 3.933 -1.079 -1.019 1.00 0.00 C ATOM 0 H5' DA B 3 9.663 -1.839 -0.877 1.00 0.00 H new ATOM 0 H5'' DA B 3 10.183 -3.512 -0.930 1.00 0.00 H new ATOM 0 H4' DA B 3 8.301 -3.535 0.457 1.00 0.00 H new ATOM 0 H3' DA B 3 7.976 -4.736 -2.253 1.00 0.00 H new ATOM 0 H2' DA B 3 5.965 -3.695 -2.703 1.00 0.00 H new ATOM 0 H2'' DA B 3 5.330 -4.759 -1.464 1.00 0.00 H new ATOM 0 H1' DA B 3 5.329 -3.048 0.187 1.00 0.00 H new ATOM 0 H8 DA B 3 6.130 -1.601 -3.312 1.00 0.00 H new ATOM 0 H61 DA B 3 1.129 1.904 -2.610 1.00 0.00 H new ATOM 0 H62 DA B 3 2.396 1.349 -3.709 1.00 0.00 H new ATOM 0 H2 DA B 3 1.860 -0.223 1.275 1.00 0.00 H new ATOM 283 P DT B 4 6.754 -6.920 -0.770 1.00 0.00 P ATOM 284 OP1 DT B 4 7.390 -8.021 -0.014 1.00 0.00 O ATOM 285 OP2 DT B 4 6.515 -7.044 -2.225 1.00 0.00 O ATOM 286 O5' DT B 4 5.386 -6.522 -0.042 1.00 0.00 O ATOM 287 C5' DT B 4 5.437 -6.098 1.303 1.00 0.00 C ATOM 288 C4' DT B 4 4.086 -5.552 1.741 1.00 0.00 C ATOM 289 O4' DT B 4 3.716 -4.443 0.941 1.00 0.00 O ATOM 290 C3' DT B 4 3.015 -6.626 1.580 1.00 0.00 C ATOM 291 O3' DT B 4 2.386 -6.828 2.824 1.00 0.00 O ATOM 292 C2' DT B 4 2.080 -5.994 0.564 1.00 0.00 C ATOM 293 C1' DT B 4 2.316 -4.517 0.788 1.00 0.00 C ATOM 294 N1 DT B 4 1.874 -3.794 -0.408 1.00 0.00 N ATOM 295 C2 DT B 4 0.822 -2.899 -0.287 1.00 0.00 C ATOM 296 O2 DT B 4 0.237 -2.699 0.773 1.00 0.00 O ATOM 297 N3 DT B 4 0.449 -2.244 -1.445 1.00 0.00 N ATOM 298 C4 DT B 4 1.021 -2.422 -2.690 1.00 0.00 C ATOM 299 O4 DT B 4 0.626 -1.780 -3.656 1.00 0.00 O ATOM 300 C5 DT B 4 2.091 -3.398 -2.728 1.00 0.00 C ATOM 301 C7 DT B 4 2.797 -3.684 -4.027 1.00 0.00 C ATOM 302 C6 DT B 4 2.478 -4.044 -1.607 1.00 0.00 C ATOM 0 H5' DT B 4 6.201 -5.330 1.420 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.723 -6.933 1.943 1.00 0.00 H new ATOM 0 H4' DT B 4 4.168 -5.247 2.784 1.00 0.00 H new ATOM 0 H3' DT B 4 3.375 -7.604 1.260 1.00 0.00 H new ATOM 0 H2' DT B 4 2.323 -6.295 -0.455 1.00 0.00 H new ATOM 0 H2'' DT B 4 1.041 -6.271 0.739 1.00 0.00 H new ATOM 0 H1' DT B 4 1.784 -4.089 1.638 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.314 -1.571 -1.375 1.00 0.00 H new ATOM 0 H71 DT B 4 3.827 -3.977 -3.824 1.00 0.00 H new ATOM 0 H72 DT B 4 2.285 -4.493 -4.549 1.00 0.00 H new ATOM 0 H73 DT B 4 2.790 -2.789 -4.649 1.00 0.00 H new ATOM 0 H6 DT B 4 3.277 -4.769 -1.659 1.00 0.00 H new ATOM 315 P DC B 5 1.160 -7.855 2.984 1.00 0.00 P ATOM 316 OP1 DC B 5 1.332 -8.602 4.249 1.00 0.00 O ATOM 317 OP2 DC B 5 0.973 -8.582 1.709 1.00 0.00 O ATOM 318 O5' DC B 5 -0.070 -6.843 3.162 1.00 0.00 O ATOM 319 C5' DC B 5 -0.167 -6.064 4.338 1.00 0.00 C ATOM 320 C4' DC B 5 -1.581 -5.512 4.539 1.00 0.00 C ATOM 321 O4' DC B 5 -1.863 -4.533 3.555 1.00 0.00 O ATOM 322 C3' DC B 5 -2.595 -6.638 4.374 1.00 0.00 C ATOM 323 O3' DC B 5 -3.775 -6.337 5.080 1.00 0.00 O ATOM 324 C2' DC B 5 -2.817 -6.571 2.873 1.00 0.00 C ATOM 325 C1' DC B 5 -2.729 -5.090 2.586 1.00 0.00 C ATOM 326 N1 DC B 5 -2.231 -4.818 1.222 1.00 0.00 N ATOM 327 C2 DC B 5 -2.655 -3.655 0.601 1.00 0.00 C ATOM 328 O2 DC B 5 -3.278 -2.797 1.221 1.00 0.00 O ATOM 329 N3 DC B 5 -2.469 -3.523 -0.743 1.00 0.00 N ATOM 330 C4 DC B 5 -1.766 -4.435 -1.418 1.00 0.00 C ATOM 331 N4 DC B 5 -1.652 -4.283 -2.734 1.00 0.00 N ATOM 332 C5 DC B 5 -1.169 -5.561 -0.761 1.00 0.00 C ATOM 333 C6 DC B 5 -1.455 -5.722 0.554 1.00 0.00 C ATOM 0 H5' DC B 5 0.542 -5.238 4.286 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.113 -6.670 5.200 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.644 -5.076 5.536 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.282 -7.614 4.745 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.060 -7.134 2.327 1.00 0.00 H new ATOM 0 H2'' DC B 5 -3.786 -6.981 2.589 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.721 -4.642 2.639 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.122 -4.961 -3.282 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.095 -3.488 -3.196 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.523 -6.247 -1.288 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.063 -6.579 1.082 1.00 0.00 H new ATOM 345 P DG B 6 -4.801 -7.506 5.484 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.151 -8.332 6.525 1.00 0.00 O ATOM 347 OP2 DG B 6 -5.303 -8.155 4.253 1.00 0.00 O ATOM 348 O5' DG B 6 -5.993 -6.679 6.182 1.00 0.00 O ATOM 349 C5' DG B 6 -6.500 -5.481 5.623 1.00 0.00 C ATOM 350 C4' DG B 6 -7.414 -5.710 4.419 1.00 0.00 C ATOM 351 O4' DG B 6 -6.705 -5.992 3.235 1.00 0.00 O ATOM 352 C3' DG B 6 -8.373 -6.863 4.635 1.00 0.00 C ATOM 353 O3' DG B 6 -9.687 -6.385 4.813 1.00 0.00 O ATOM 354 C2' DG B 6 -8.288 -7.674 3.356 1.00 0.00 C ATOM 355 C1' DG B 6 -7.617 -6.695 2.418 1.00 0.00 C ATOM 356 N9 DG B 6 -6.897 -7.396 1.349 1.00 0.00 N ATOM 357 C8 DG B 6 -5.602 -7.810 1.378 1.00 0.00 C ATOM 358 N7 DG B 6 -5.093 -8.086 0.210 1.00 0.00 N ATOM 359 C5 DG B 6 -6.166 -7.880 -0.658 1.00 0.00 C ATOM 360 C6 DG B 6 -6.222 -7.862 -2.084 1.00 0.00 C ATOM 361 O6 DG B 6 -5.296 -7.954 -2.890 1.00 0.00 O ATOM 362 N1 DG B 6 -7.502 -7.635 -2.561 1.00 0.00 N ATOM 363 C2 DG B 6 -8.604 -7.433 -1.768 1.00 0.00 C ATOM 364 N2 DG B 6 -9.788 -7.346 -2.362 1.00 0.00 N ATOM 365 N3 DG B 6 -8.543 -7.318 -0.439 1.00 0.00 N ATOM 366 C4 DG B 6 -7.296 -7.539 0.047 1.00 0.00 C ATOM 0 H5' DG B 6 -5.665 -4.849 5.321 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.051 -4.936 6.390 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.956 -4.770 4.315 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.122 -7.446 5.521 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.702 -8.584 3.486 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.272 -7.977 2.997 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.295 -7.142 4.950 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.339 -6.042 1.928 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.040 -7.903 2.296 1.00 0.00 H new ATOM 0 H1 DG B 6 -7.635 -7.617 -3.572 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.629 -7.196 -1.804 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.857 -7.429 -3.376 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.909 2.582 3.601 1.00 0.00 C HETATM 380 C5 PPZ A 7 10.040 3.186 3.044 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.703 3.740 1.809 1.00 0.00 N HETATM 382 C8 PPZ A 7 8.326 3.688 1.710 1.00 0.00 C HETATM 383 C13 PPZ A 7 7.424 4.286 0.815 1.00 0.00 C HETATM 384 C12 PPZ A 7 6.063 4.311 1.142 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.618 3.659 2.301 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.523 2.998 3.149 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.864 3.046 2.839 1.00 0.00 N HETATM 388 C6 PPZ A 7 11.196 3.163 3.837 1.00 0.00 C HETATM 389 N6 PPZ A 7 12.197 4.085 3.598 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.202 2.428 4.961 1.00 0.00 N HETATM 391 C2 PPZ A 7 10.079 1.812 5.324 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.883 1.849 4.742 1.00 0.00 N HETATM 393 C61 PPZ A 7 12.121 5.181 2.643 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.811 5.965 2.814 1.00 0.00 C HETATM 395 O8 PPZ A 7 10.922 6.937 3.831 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.164 6.855 4.446 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.549 6.449 1.873 1.00 0.00 H new HETATM 0 H71 PPZ A 7 10.001 5.276 3.054 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.971 5.850 2.782 1.00 0.00 H new HETATM 0 H61 PPZ A 7 12.186 4.790 1.628 1.00 0.00 H new HETATM 0 H6 PPZ A 7 13.059 3.990 4.134 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.149 1.194 6.219 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.778 4.723 -0.119 1.00 0.00 H new HETATM 0 H12 PPZ A 7 5.354 4.834 0.500 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.556 3.665 2.547 1.00 0.00 H new HETATM 0 H10 PPZ A 7 6.172 2.461 4.030 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.364 -3.602 1.196 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.471 -3.502 0.344 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.046 -3.659 -0.975 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.708 -3.999 -0.935 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.800 -4.390 -1.930 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.525 -4.833 -1.559 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.184 -4.890 -0.199 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.076 -4.424 0.782 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.328 -4.005 0.389 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.712 -3.305 0.972 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.887 -3.464 0.262 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.747 -3.120 2.301 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.608 -3.182 2.987 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.379 -3.437 2.544 1.00 0.00 N HETATM 421 C61 PPZ B 7 -12.002 -3.925 -1.112 1.00 0.00 C HETATM 422 C7 PPZ B 7 -11.206 -5.219 -1.303 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.893 -6.342 -0.792 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.339 -6.784 -0.115 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -11.006 -5.368 -2.364 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.240 -5.128 -0.806 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -13.050 -4.094 -1.360 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.633 -3.158 -1.793 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.755 -3.237 0.747 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.693 -2.999 4.058 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -7.084 -4.349 -2.981 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.804 -5.131 -2.320 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.219 -5.299 0.099 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.783 -4.395 1.832 1.00 0.00 H new