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 -35:sc= 0.0267 USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -120:sc= 0.689 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= 0.548 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -9.310 -4.638 -8.766 1.00 0.00 O ATOM 2 C5' DC A 1 -9.400 -3.247 -8.558 1.00 0.00 C ATOM 3 C4' DC A 1 -10.707 -2.922 -7.837 1.00 0.00 C ATOM 4 O4' DC A 1 -10.748 -3.626 -6.613 1.00 0.00 O ATOM 5 C3' DC A 1 -10.706 -1.456 -7.426 1.00 0.00 C ATOM 6 O3' DC A 1 -12.007 -1.024 -7.096 1.00 0.00 O ATOM 7 C2' DC A 1 -9.829 -1.502 -6.183 1.00 0.00 C ATOM 8 C1' DC A 1 -9.916 -2.955 -5.685 1.00 0.00 C ATOM 9 N1 DC A 1 -8.547 -3.535 -5.602 1.00 0.00 N ATOM 10 C2 DC A 1 -8.366 -4.894 -5.335 1.00 0.00 C ATOM 11 O2 DC A 1 -9.314 -5.671 -5.238 1.00 0.00 O ATOM 12 N3 DC A 1 -7.099 -5.367 -5.124 1.00 0.00 N ATOM 13 C4 DC A 1 -6.046 -4.543 -5.194 1.00 0.00 C ATOM 14 N4 DC A 1 -4.852 -4.974 -4.803 1.00 0.00 N ATOM 15 C5 DC A 1 -6.212 -3.153 -5.442 1.00 0.00 C ATOM 16 C6 DC A 1 -7.467 -2.701 -5.631 1.00 0.00 C ATOM 0 H5' DC A 1 -9.359 -2.723 -9.513 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.551 -2.901 -7.968 1.00 0.00 H new ATOM 0 H4' DC A 1 -11.534 -3.174 -8.501 1.00 0.00 H new ATOM 0 H3' DC A 1 -10.361 -0.773 -8.202 1.00 0.00 H new ATOM 0 H2' DC A 1 -8.801 -1.226 -6.416 1.00 0.00 H new ATOM 0 H2'' DC A 1 -10.183 -0.803 -5.425 1.00 0.00 H new ATOM 0 HO5' DC A 1 -9.711 -5.109 -8.006 1.00 0.00 H new ATOM 0 H1' DC A 1 -10.337 -3.043 -4.683 1.00 0.00 H new ATOM 0 H41 DC A 1 -4.044 -4.353 -4.853 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.743 -5.926 -4.453 1.00 0.00 H new ATOM 0 H5 DC A 1 -5.364 -2.485 -5.478 1.00 0.00 H new ATOM 0 H6 DC A 1 -7.623 -1.648 -5.811 1.00 0.00 H new ATOM 29 P DG A 2 -12.340 0.548 -7.008 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.757 0.705 -6.613 1.00 0.00 O ATOM 31 OP2 DG A 2 -11.842 1.190 -8.245 1.00 0.00 O ATOM 32 O5' DG A 2 -11.417 1.032 -5.784 1.00 0.00 O ATOM 33 C5' DG A 2 -11.797 0.743 -4.458 1.00 0.00 C ATOM 34 C4' DG A 2 -10.687 1.125 -3.480 1.00 0.00 C ATOM 35 O4' DG A 2 -9.548 0.302 -3.641 1.00 0.00 O ATOM 36 C3' DG A 2 -10.212 2.573 -3.622 1.00 0.00 C ATOM 37 O3' DG A 2 -10.522 3.238 -2.415 1.00 0.00 O ATOM 38 C2' DG A 2 -8.706 2.421 -3.813 1.00 0.00 C ATOM 39 C1' DG A 2 -8.466 1.070 -3.164 1.00 0.00 C ATOM 40 N9 DG A 2 -7.177 0.466 -3.543 1.00 0.00 N ATOM 41 C8 DG A 2 -6.569 0.408 -4.768 1.00 0.00 C ATOM 42 N7 DG A 2 -5.495 -0.336 -4.794 1.00 0.00 N ATOM 43 C5 DG A 2 -5.378 -0.798 -3.483 1.00 0.00 C ATOM 44 C6 DG A 2 -4.459 -1.718 -2.887 1.00 0.00 C ATOM 45 O6 DG A 2 -3.586 -2.397 -3.431 1.00 0.00 O ATOM 46 N1 DG A 2 -4.644 -1.837 -1.518 1.00 0.00 N ATOM 47 C2 DG A 2 -5.689 -1.271 -0.822 1.00 0.00 C ATOM 48 N2 DG A 2 -5.784 -1.478 0.485 1.00 0.00 N ATOM 49 N3 DG A 2 -6.602 -0.480 -1.386 1.00 0.00 N ATOM 50 C4 DG A 2 -6.385 -0.278 -2.710 1.00 0.00 C ATOM 0 H5' DG A 2 -12.022 -0.319 -4.363 1.00 0.00 H new ATOM 0 H5'' DG A 2 -12.709 1.286 -4.210 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.139 0.992 -2.497 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.664 3.141 -4.435 1.00 0.00 H new ATOM 0 H2' DG A 2 -8.421 2.429 -4.865 1.00 0.00 H new ATOM 0 H2'' DG A 2 -8.146 3.218 -3.325 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.412 1.139 -2.077 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.944 0.931 -5.636 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.960 -2.380 -0.991 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.553 -1.065 1.012 1.00 0.00 H new ATOM 0 H22 DG A 2 -5.088 -2.051 0.963 1.00 0.00 H new ATOM 62 P DA A 3 -9.976 4.717 -2.083 1.00 0.00 P ATOM 63 OP1 DA A 3 -11.048 5.466 -1.392 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.344 5.279 -3.297 1.00 0.00 O ATOM 65 O5' DA A 3 -8.823 4.391 -1.014 1.00 0.00 O ATOM 66 C5' DA A 3 -9.178 3.946 0.279 1.00 0.00 C ATOM 67 C4' DA A 3 -7.934 3.718 1.135 1.00 0.00 C ATOM 68 O4' DA A 3 -7.143 2.665 0.621 1.00 0.00 O ATOM 69 C3' DA A 3 -7.071 4.973 1.193 1.00 0.00 C ATOM 70 O3' DA A 3 -7.218 5.539 2.477 1.00 0.00 O ATOM 71 C2' DA A 3 -5.672 4.453 0.898 1.00 0.00 C ATOM 72 C1' DA A 3 -5.787 2.937 0.914 1.00 0.00 C ATOM 73 N9 DA A 3 -4.974 2.435 -0.200 1.00 0.00 N ATOM 74 C8 DA A 3 -5.028 2.869 -1.495 1.00 0.00 C ATOM 75 N7 DA A 3 -4.171 2.299 -2.293 1.00 0.00 N ATOM 76 C5 DA A 3 -3.513 1.409 -1.452 1.00 0.00 C ATOM 77 C6 DA A 3 -2.479 0.490 -1.673 1.00 0.00 C ATOM 78 N6 DA A 3 -1.936 0.348 -2.878 1.00 0.00 N ATOM 79 N1 DA A 3 -2.055 -0.281 -0.659 1.00 0.00 N ATOM 80 C2 DA A 3 -2.626 -0.129 0.536 1.00 0.00 C ATOM 81 N3 DA A 3 -3.582 0.727 0.884 1.00 0.00 N ATOM 82 C4 DA A 3 -3.998 1.470 -0.173 1.00 0.00 C ATOM 0 H5' DA A 3 -9.749 3.020 0.206 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.824 4.682 0.757 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.285 3.461 2.134 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.329 5.765 0.490 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.318 4.809 -0.069 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.959 4.800 1.646 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.469 2.491 1.856 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.725 3.623 -1.829 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.184 -0.326 -3.022 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.272 0.913 -3.658 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.268 -0.782 1.318 1.00 0.00 H new ATOM 94 P DT A 4 -6.173 6.613 3.055 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.732 7.204 4.290 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.704 7.479 1.951 1.00 0.00 O ATOM 97 O5' DT A 4 -5.001 5.599 3.459 1.00 0.00 O ATOM 98 C5' DT A 4 -5.312 4.485 4.269 1.00 0.00 C ATOM 99 C4' DT A 4 -4.063 3.648 4.508 1.00 0.00 C ATOM 100 O4' DT A 4 -3.619 3.041 3.308 1.00 0.00 O ATOM 101 C3' DT A 4 -2.957 4.565 5.016 1.00 0.00 C ATOM 102 O3' DT A 4 -2.527 4.089 6.266 1.00 0.00 O ATOM 103 C2' DT A 4 -1.898 4.406 3.930 1.00 0.00 C ATOM 104 C1' DT A 4 -2.207 3.074 3.324 1.00 0.00 C ATOM 105 N1 DT A 4 -1.674 3.091 1.961 1.00 0.00 N ATOM 106 C2 DT A 4 -0.740 2.146 1.570 1.00 0.00 C ATOM 107 O2 DT A 4 -0.284 1.302 2.333 1.00 0.00 O ATOM 108 N3 DT A 4 -0.325 2.229 0.255 1.00 0.00 N ATOM 109 C4 DT A 4 -0.732 3.173 -0.668 1.00 0.00 C ATOM 110 O4 DT A 4 -0.306 3.130 -1.818 1.00 0.00 O ATOM 111 C5 DT A 4 -1.651 4.169 -0.144 1.00 0.00 C ATOM 112 C7 DT A 4 -2.192 5.252 -1.046 1.00 0.00 C ATOM 113 C6 DT A 4 -2.073 4.099 1.139 1.00 0.00 C ATOM 0 H5' DT A 4 -6.079 3.878 3.788 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.722 4.821 5.221 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.299 2.868 5.232 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.231 5.608 5.172 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.959 5.205 3.192 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.891 4.432 4.346 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.788 2.216 3.849 1.00 0.00 H new ATOM 0 H3 DT A 4 0.344 1.528 -0.064 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.185 5.546 -0.706 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.528 6.116 -1.016 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.254 4.877 -2.068 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.740 4.859 1.519 1.00 0.00 H new ATOM 126 P DC A 5 -1.283 4.763 7.018 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.453 4.581 8.476 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.046 6.109 6.451 1.00 0.00 O ATOM 129 O5' DC A 5 -0.116 3.788 6.520 1.00 0.00 O ATOM 130 C5' DC A 5 -0.147 2.435 6.922 1.00 0.00 C ATOM 131 C4' DC A 5 1.256 1.842 7.024 1.00 0.00 C ATOM 132 O4' DC A 5 1.782 1.554 5.743 1.00 0.00 O ATOM 133 C3' DC A 5 2.181 2.858 7.677 1.00 0.00 C ATOM 134 O3' DC A 5 3.191 2.167 8.374 1.00 0.00 O ATOM 135 C2' DC A 5 2.670 3.635 6.458 1.00 0.00 C ATOM 136 C1' DC A 5 2.668 2.586 5.347 1.00 0.00 C ATOM 137 N1 DC A 5 2.240 3.103 4.024 1.00 0.00 N ATOM 138 C2 DC A 5 2.762 2.464 2.910 1.00 0.00 C ATOM 139 O2 DC A 5 3.437 1.445 3.024 1.00 0.00 O ATOM 140 N3 DC A 5 2.596 3.029 1.679 1.00 0.00 N ATOM 141 C4 DC A 5 1.869 4.140 1.547 1.00 0.00 C ATOM 142 N4 DC A 5 1.817 4.708 0.347 1.00 0.00 N ATOM 143 C5 DC A 5 1.170 4.717 2.655 1.00 0.00 C ATOM 144 C6 DC A 5 1.390 4.168 3.875 1.00 0.00 C ATOM 0 H5' DC A 5 -0.735 1.857 6.209 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.647 2.354 7.887 1.00 0.00 H new ATOM 0 H4' DC A 5 1.190 0.924 7.609 1.00 0.00 H new ATOM 0 H3' DC A 5 1.743 3.520 8.424 1.00 0.00 H new ATOM 0 H2' DC A 5 2.011 4.471 6.223 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.665 4.049 6.618 1.00 0.00 H new ATOM 0 H1' DC A 5 3.694 2.241 5.218 1.00 0.00 H new ATOM 0 H41 DC A 5 1.271 5.558 0.209 1.00 0.00 H new ATOM 0 H42 DC A 5 2.323 4.294 -0.436 1.00 0.00 H new ATOM 0 H5 DC A 5 0.498 5.552 2.525 1.00 0.00 H new ATOM 0 H6 DC A 5 0.889 4.575 4.741 1.00 0.00 H new ATOM 156 P DG A 6 4.073 2.912 9.490 1.00 0.00 P ATOM 157 OP1 DG A 6 4.580 1.900 10.443 1.00 0.00 O ATOM 158 OP2 DG A 6 3.315 4.084 9.983 1.00 0.00 O ATOM 159 O5' DG A 6 5.295 3.429 8.605 1.00 0.00 O ATOM 160 C5' DG A 6 6.150 2.490 7.992 1.00 0.00 C ATOM 161 C4' DG A 6 7.075 3.209 7.021 1.00 0.00 C ATOM 162 O4' DG A 6 6.328 3.850 6.012 1.00 0.00 O ATOM 163 C3' DG A 6 7.869 4.291 7.722 1.00 0.00 C ATOM 164 O3' DG A 6 9.236 3.949 7.772 1.00 0.00 O ATOM 165 C2' DG A 6 7.677 5.527 6.868 1.00 0.00 C ATOM 166 C1' DG A 6 7.127 4.931 5.593 1.00 0.00 C ATOM 167 N9 DG A 6 6.298 5.908 4.886 1.00 0.00 N ATOM 168 C8 DG A 6 4.946 6.029 4.972 1.00 0.00 C ATOM 169 N7 DG A 6 4.407 6.728 4.012 1.00 0.00 N ATOM 170 C5 DG A 6 5.509 7.143 3.262 1.00 0.00 C ATOM 171 C6 DG A 6 5.584 7.805 2.001 1.00 0.00 C ATOM 172 O6 DG A 6 4.666 8.114 1.242 1.00 0.00 O ATOM 173 N1 DG A 6 6.890 8.037 1.599 1.00 0.00 N ATOM 174 C2 DG A 6 8.002 7.685 2.323 1.00 0.00 C ATOM 175 N2 DG A 6 9.190 8.066 1.868 1.00 0.00 N ATOM 176 N3 DG A 6 7.948 6.963 3.445 1.00 0.00 N ATOM 177 C4 DG A 6 6.676 6.712 3.846 1.00 0.00 C ATOM 0 H5' DG A 6 5.564 1.738 7.464 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.734 1.966 8.748 1.00 0.00 H new ATOM 0 H4' DG A 6 7.740 2.453 6.603 1.00 0.00 H new ATOM 0 H3' DG A 6 7.539 4.437 8.750 1.00 0.00 H new ATOM 0 H2' DG A 6 6.984 6.235 7.322 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.613 6.060 6.701 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.735 4.660 8.227 1.00 0.00 H new ATOM 0 H1' DG A 6 7.923 4.627 4.913 1.00 0.00 H new ATOM 0 H8 DG A 6 4.368 5.584 5.768 1.00 0.00 H new ATOM 0 H1 DG A 6 7.035 8.502 0.703 1.00 0.00 H new ATOM 0 H21 DG A 6 10.036 7.821 2.383 1.00 0.00 H new ATOM 0 H22 DG A 6 9.257 8.604 1.004 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 10.553 7.594 -6.836 1.00 0.00 O ATOM 191 C5' DC B 1 10.768 6.336 -6.228 1.00 0.00 C ATOM 192 C4' DC B 1 11.374 6.499 -4.834 1.00 0.00 C ATOM 193 O4' DC B 1 10.423 7.132 -3.992 1.00 0.00 O ATOM 194 C3' DC B 1 11.671 5.123 -4.244 1.00 0.00 C ATOM 195 O3' DC B 1 12.728 5.261 -3.319 1.00 0.00 O ATOM 196 C2' DC B 1 10.359 4.860 -3.526 1.00 0.00 C ATOM 197 C1' DC B 1 10.099 6.247 -2.940 1.00 0.00 C ATOM 198 N1 DC B 1 8.688 6.429 -2.544 1.00 0.00 N ATOM 199 C2 DC B 1 8.390 7.270 -1.479 1.00 0.00 C ATOM 200 O2 DC B 1 9.275 7.884 -0.884 1.00 0.00 O ATOM 201 N3 DC B 1 7.091 7.387 -1.072 1.00 0.00 N ATOM 202 C4 DC B 1 6.119 6.726 -1.714 1.00 0.00 C ATOM 203 N4 DC B 1 4.892 6.725 -1.203 1.00 0.00 N ATOM 204 C5 DC B 1 6.405 5.891 -2.833 1.00 0.00 C ATOM 205 C6 DC B 1 7.696 5.770 -3.207 1.00 0.00 C ATOM 0 H5' DC B 1 11.433 5.736 -6.850 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.824 5.796 -6.157 1.00 0.00 H new ATOM 0 H4' DC B 1 12.288 7.088 -4.905 1.00 0.00 H new ATOM 0 H3' DC B 1 11.964 4.342 -4.945 1.00 0.00 H new ATOM 0 H2' DC B 1 9.569 4.539 -4.205 1.00 0.00 H new ATOM 0 H2'' DC B 1 10.450 4.093 -2.757 1.00 0.00 H new ATOM 0 HO5' DC B 1 10.166 7.465 -7.727 1.00 0.00 H new ATOM 0 H1' DC B 1 10.684 6.413 -2.035 1.00 0.00 H new ATOM 0 H41 DC B 1 4.141 6.226 -1.680 1.00 0.00 H new ATOM 0 H42 DC B 1 4.701 7.223 -0.334 1.00 0.00 H new ATOM 0 H5 DC B 1 5.618 5.374 -3.362 1.00 0.00 H new ATOM 0 H6 DC B 1 7.948 5.140 -4.047 1.00 0.00 H new ATOM 218 P DG B 2 13.633 4.009 -2.861 1.00 0.00 P ATOM 219 OP1 DG B 2 14.360 4.402 -1.634 1.00 0.00 O ATOM 220 OP2 DG B 2 14.388 3.536 -4.043 1.00 0.00 O ATOM 221 O5' DG B 2 12.568 2.877 -2.466 1.00 0.00 O ATOM 222 C5' DG B 2 12.162 1.920 -3.419 1.00 0.00 C ATOM 223 C4' DG B 2 11.050 1.063 -2.828 1.00 0.00 C ATOM 224 O4' DG B 2 9.901 1.853 -2.604 1.00 0.00 O ATOM 225 C3' DG B 2 10.629 -0.083 -3.751 1.00 0.00 C ATOM 226 O3' DG B 2 10.828 -1.290 -3.047 1.00 0.00 O ATOM 227 C2' DG B 2 9.147 0.191 -3.972 1.00 0.00 C ATOM 228 C1' DG B 2 8.819 0.963 -2.706 1.00 0.00 C ATOM 229 N9 DG B 2 7.553 1.699 -2.804 1.00 0.00 N ATOM 230 C8 DG B 2 7.109 2.525 -3.798 1.00 0.00 C ATOM 231 N7 DG B 2 5.967 3.102 -3.537 1.00 0.00 N ATOM 232 C5 DG B 2 5.650 2.647 -2.256 1.00 0.00 C ATOM 233 C6 DG B 2 4.583 2.992 -1.372 1.00 0.00 C ATOM 234 O6 DG B 2 3.708 3.848 -1.521 1.00 0.00 O ATOM 235 N1 DG B 2 4.608 2.255 -0.195 1.00 0.00 N ATOM 236 C2 DG B 2 5.626 1.397 0.159 1.00 0.00 C ATOM 237 N2 DG B 2 5.561 0.752 1.316 1.00 0.00 N ATOM 238 N3 DG B 2 6.663 1.121 -0.630 1.00 0.00 N ATOM 239 C4 DG B 2 6.611 1.772 -1.817 1.00 0.00 C ATOM 0 H5' DG B 2 13.007 1.294 -3.705 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.812 2.417 -4.324 1.00 0.00 H new ATOM 0 H4' DG B 2 11.449 0.648 -1.902 1.00 0.00 H new ATOM 0 H3' DG B 2 11.176 -0.155 -4.691 1.00 0.00 H new ATOM 0 H2' DG B 2 8.963 0.775 -4.874 1.00 0.00 H new ATOM 0 H2'' DG B 2 8.564 -0.726 -4.062 1.00 0.00 H new ATOM 0 H1' DG B 2 8.690 0.310 -1.843 1.00 0.00 H new ATOM 0 H8 DG B 2 7.654 2.686 -4.717 1.00 0.00 H new ATOM 0 H1 DG B 2 3.823 2.355 0.448 1.00 0.00 H new ATOM 0 H21 DG B 2 6.310 0.115 1.587 1.00 0.00 H new ATOM 0 H22 DG B 2 4.762 0.893 1.935 1.00 0.00 H new ATOM 251 P DA B 3 10.330 -2.709 -3.625 1.00 0.00 P ATOM 252 OP1 DA B 3 11.344 -3.731 -3.284 1.00 0.00 O ATOM 253 OP2 DA B 3 9.908 -2.526 -5.031 1.00 0.00 O ATOM 254 O5' DA B 3 9.022 -2.982 -2.732 1.00 0.00 O ATOM 255 C5' DA B 3 9.165 -3.308 -1.365 1.00 0.00 C ATOM 256 C4' DA B 3 7.820 -3.688 -0.744 1.00 0.00 C ATOM 257 O4' DA B 3 6.971 -2.566 -0.597 1.00 0.00 O ATOM 258 C3' DA B 3 7.102 -4.724 -1.600 1.00 0.00 C ATOM 259 O3' DA B 3 7.081 -5.929 -0.866 1.00 0.00 O ATOM 260 C2' DA B 3 5.730 -4.097 -1.829 1.00 0.00 C ATOM 261 C1' DA B 3 5.632 -2.974 -0.806 1.00 0.00 C ATOM 262 N9 DA B 3 4.912 -1.849 -1.426 1.00 0.00 N ATOM 263 C8 DA B 3 5.149 -1.308 -2.662 1.00 0.00 C ATOM 264 N7 DA B 3 4.308 -0.376 -3.012 1.00 0.00 N ATOM 265 C5 DA B 3 3.484 -0.263 -1.897 1.00 0.00 C ATOM 266 C6 DA B 3 2.392 0.568 -1.602 1.00 0.00 C ATOM 267 N6 DA B 3 1.916 1.437 -2.490 1.00 0.00 N ATOM 268 N1 DA B 3 1.840 0.514 -0.380 1.00 0.00 N ATOM 269 C2 DA B 3 2.339 -0.343 0.509 1.00 0.00 C ATOM 270 N3 DA B 3 3.325 -1.218 0.338 1.00 0.00 N ATOM 271 C4 DA B 3 3.871 -1.121 -0.902 1.00 0.00 C ATOM 0 H5' DA B 3 9.590 -2.460 -0.828 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.865 -4.136 -1.257 1.00 0.00 H new ATOM 0 H4' DA B 3 8.039 -4.100 0.241 1.00 0.00 H new ATOM 0 H3' DA B 3 7.558 -4.968 -2.560 1.00 0.00 H new ATOM 0 H2' DA B 3 5.636 -3.714 -2.845 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.934 -4.828 -1.689 1.00 0.00 H new ATOM 0 H1' DA B 3 5.127 -3.279 0.110 1.00 0.00 H new ATOM 0 H8 DA B 3 5.965 -1.627 -3.294 1.00 0.00 H new ATOM 0 H61 DA B 3 1.121 2.029 -2.249 1.00 0.00 H new ATOM 0 H62 DA B 3 2.346 1.511 -3.412 1.00 0.00 H new ATOM 0 H2 DA B 3 1.887 -0.325 1.490 1.00 0.00 H new ATOM 283 P DT B 4 6.052 -7.119 -1.191 1.00 0.00 P ATOM 284 OP1 DT B 4 6.565 -8.370 -0.589 1.00 0.00 O ATOM 285 OP2 DT B 4 5.681 -7.070 -2.622 1.00 0.00 O ATOM 286 O5' DT B 4 4.818 -6.600 -0.314 1.00 0.00 O ATOM 287 C5' DT B 4 5.029 -6.293 1.049 1.00 0.00 C ATOM 288 C4' DT B 4 3.752 -5.733 1.658 1.00 0.00 C ATOM 289 O4' DT B 4 3.391 -4.532 1.000 1.00 0.00 O ATOM 290 C3' DT B 4 2.625 -6.742 1.460 1.00 0.00 C ATOM 291 O3' DT B 4 2.031 -7.041 2.701 1.00 0.00 O ATOM 292 C2' DT B 4 1.683 -5.983 0.546 1.00 0.00 C ATOM 293 C1' DT B 4 1.987 -4.541 0.890 1.00 0.00 C ATOM 294 N1 DT B 4 1.536 -3.712 -0.233 1.00 0.00 N ATOM 295 C2 DT B 4 0.491 -2.825 -0.022 1.00 0.00 C ATOM 296 O2 DT B 4 -0.060 -2.694 1.066 1.00 0.00 O ATOM 297 N3 DT B 4 0.083 -2.101 -1.125 1.00 0.00 N ATOM 298 C4 DT B 4 0.596 -2.217 -2.401 1.00 0.00 C ATOM 299 O4 DT B 4 0.153 -1.528 -3.313 1.00 0.00 O ATOM 300 C5 DT B 4 1.662 -3.191 -2.537 1.00 0.00 C ATOM 301 C7 DT B 4 2.298 -3.431 -3.884 1.00 0.00 C ATOM 302 C6 DT B 4 2.091 -3.896 -1.468 1.00 0.00 C ATOM 0 H5' DT B 4 5.837 -5.568 1.146 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.337 -7.188 1.589 1.00 0.00 H new ATOM 0 H4' DT B 4 3.917 -5.540 2.718 1.00 0.00 H new ATOM 0 H3' DT B 4 2.933 -7.703 1.047 1.00 0.00 H new ATOM 0 H2' DT B 4 1.875 -6.199 -0.505 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.640 -6.235 0.738 1.00 0.00 H new ATOM 0 H1' DT B 4 1.505 -4.165 1.792 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.663 -1.420 -0.984 1.00 0.00 H new ATOM 0 H71 DT B 4 3.337 -3.731 -3.748 1.00 0.00 H new ATOM 0 H72 DT B 4 1.758 -4.221 -4.406 1.00 0.00 H new ATOM 0 H73 DT B 4 2.260 -2.515 -4.473 1.00 0.00 H new ATOM 0 H6 DT B 4 2.886 -4.617 -1.591 1.00 0.00 H new ATOM 315 P DC B 5 0.828 -8.102 2.815 1.00 0.00 P ATOM 316 OP1 DC B 5 1.068 -8.960 3.995 1.00 0.00 O ATOM 317 OP2 DC B 5 0.592 -8.709 1.486 1.00 0.00 O ATOM 318 O5' DC B 5 -0.404 -7.131 3.143 1.00 0.00 O ATOM 319 C5' DC B 5 -0.363 -6.353 4.320 1.00 0.00 C ATOM 320 C4' DC B 5 -1.747 -5.861 4.740 1.00 0.00 C ATOM 321 O4' DC B 5 -2.222 -4.842 3.880 1.00 0.00 O ATOM 322 C3' DC B 5 -2.743 -7.008 4.687 1.00 0.00 C ATOM 323 O3' DC B 5 -3.697 -6.821 5.708 1.00 0.00 O ATOM 324 C2' DC B 5 -3.315 -6.868 3.281 1.00 0.00 C ATOM 325 C1' DC B 5 -3.169 -5.377 2.972 1.00 0.00 C ATOM 326 N1 DC B 5 -2.707 -5.097 1.591 1.00 0.00 N ATOM 327 C2 DC B 5 -3.098 -3.896 1.016 1.00 0.00 C ATOM 328 O2 DC B 5 -3.765 -3.080 1.647 1.00 0.00 O ATOM 329 N3 DC B 5 -2.817 -3.665 -0.301 1.00 0.00 N ATOM 330 C4 DC B 5 -2.096 -4.548 -0.997 1.00 0.00 C ATOM 331 N4 DC B 5 -1.888 -4.299 -2.287 1.00 0.00 N ATOM 332 C5 DC B 5 -1.566 -5.731 -0.391 1.00 0.00 C ATOM 333 C6 DC B 5 -1.910 -5.967 0.899 1.00 0.00 C ATOM 0 H5' DC B 5 0.292 -5.496 4.164 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.071 -6.943 5.128 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.653 -5.467 5.752 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.339 -8.006 4.853 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.768 -7.480 2.564 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.357 -7.184 3.240 1.00 0.00 H new ATOM 0 H1' DC B 5 -4.155 -4.922 3.071 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.342 -4.951 -2.851 1.00 0.00 H new ATOM 0 H42 DC B 5 -2.274 -3.456 -2.713 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.922 -6.405 -0.936 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.548 -6.859 1.389 1.00 0.00 H new ATOM 345 P DG B 6 -4.626 -8.040 6.192 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.155 -7.722 7.537 1.00 0.00 O ATOM 347 OP2 DG B 6 -3.894 -9.305 5.962 1.00 0.00 O ATOM 348 O5' DG B 6 -5.826 -7.944 5.143 1.00 0.00 O ATOM 349 C5' DG B 6 -6.695 -6.835 5.184 1.00 0.00 C ATOM 350 C4' DG B 6 -7.564 -6.819 3.934 1.00 0.00 C ATOM 351 O4' DG B 6 -6.771 -6.723 2.772 1.00 0.00 O ATOM 352 C3' DG B 6 -8.367 -8.097 3.808 1.00 0.00 C ATOM 353 O3' DG B 6 -9.743 -7.832 3.968 1.00 0.00 O ATOM 354 C2' DG B 6 -8.097 -8.584 2.400 1.00 0.00 C ATOM 355 C1' DG B 6 -7.524 -7.344 1.755 1.00 0.00 C ATOM 356 N9 DG B 6 -6.636 -7.713 0.651 1.00 0.00 N ATOM 357 C8 DG B 6 -5.290 -7.893 0.722 1.00 0.00 C ATOM 358 N7 DG B 6 -4.688 -7.905 -0.435 1.00 0.00 N ATOM 359 C5 DG B 6 -5.739 -7.766 -1.344 1.00 0.00 C ATOM 360 C6 DG B 6 -5.732 -7.570 -2.758 1.00 0.00 C ATOM 361 O6 DG B 6 -4.766 -7.459 -3.511 1.00 0.00 O ATOM 362 N1 DG B 6 -7.007 -7.433 -3.282 1.00 0.00 N ATOM 363 C2 DG B 6 -8.164 -7.539 -2.551 1.00 0.00 C ATOM 364 N2 DG B 6 -9.319 -7.534 -3.205 1.00 0.00 N ATOM 365 N3 DG B 6 -8.185 -7.641 -1.220 1.00 0.00 N ATOM 366 C4 DG B 6 -6.942 -7.725 -0.682 1.00 0.00 C ATOM 0 H5' DG B 6 -6.119 -5.912 5.251 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.322 -6.885 6.074 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.225 -5.957 4.029 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.091 -8.831 4.566 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.394 -9.417 2.382 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.006 -8.922 1.902 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.249 -8.667 3.882 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.303 -6.697 1.351 1.00 0.00 H new ATOM 0 H8 DG B 6 -4.764 -8.016 1.657 1.00 0.00 H new ATOM 0 H1 DG B 6 -7.092 -7.240 -4.280 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.197 -7.611 -2.691 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.329 -7.453 -4.222 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.532 2.882 3.325 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.669 3.381 2.677 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.280 4.013 1.497 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.900 4.069 1.503 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.977 4.733 0.681 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.631 4.775 1.061 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.221 4.115 2.229 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.144 3.399 3.009 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.470 3.415 2.636 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.889 3.179 3.341 1.00 0.00 C HETATM 389 N6 PPZ A 7 12.020 3.874 2.954 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.905 2.437 4.459 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.754 1.970 4.937 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.521 2.152 4.469 1.00 0.00 N HETATM 393 C61 PPZ A 7 12.096 4.883 1.909 1.00 0.00 C HETATM 394 C7 PPZ A 7 11.014 5.950 2.111 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.364 6.859 3.133 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.688 6.831 3.842 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.859 6.492 1.178 1.00 0.00 H new HETATM 0 H71 PPZ A 7 10.069 5.468 2.360 1.00 0.00 H new HETATM 0 H62 PPZ A 7 13.081 5.350 1.917 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.974 4.414 0.933 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.885 3.658 3.449 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.831 1.355 5.834 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.305 5.210 -0.243 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.906 5.317 0.454 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.176 4.158 2.534 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.819 2.844 3.889 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.836 -4.329 1.022 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.957 -4.279 0.185 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.539 -4.037 -1.124 1.00 0.00 N HETATM 410 C8 PPZ B 7 -8.162 -4.133 -1.132 1.00 0.00 C HETATM 411 C13 PPZ B 7 -7.225 -4.167 -2.175 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.898 -4.504 -1.889 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.514 -4.729 -0.560 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.447 -4.620 0.486 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.760 -4.352 0.168 1.00 0.00 N HETATM 416 C6 PPZ B 7 -11.194 -4.510 0.804 1.00 0.00 C HETATM 417 N6 PPZ B 7 -12.302 -4.818 0.037 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.244 -4.622 2.140 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.104 -4.582 2.828 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.858 -4.470 2.372 1.00 0.00 N HETATM 421 C61 PPZ B 7 -12.313 -5.036 -1.402 1.00 0.00 C HETATM 422 C7 PPZ B 7 -11.204 -6.011 -1.815 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.565 -7.352 -1.558 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.921 -7.751 -0.936 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.989 -5.889 -2.877 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.288 -5.771 -1.275 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -13.282 -5.431 -1.707 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -12.179 -4.086 -1.919 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -13.194 -4.900 0.524 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.205 -4.650 3.911 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -7.527 -3.934 -3.196 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -5.168 -4.591 -2.694 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.480 -4.991 -0.335 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.139 -4.745 1.524 1.00 0.00 H new