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= -2.54 USER MOD Single : A 4 DT C7 :methyl -30:sc= -0.645 (180deg=-1.04) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -120:sc= 0.677 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 91:sc= 0.563 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.091 -2.223 -7.521 1.00 0.00 O ATOM 2 C5' DC A 1 -8.268 -2.311 -8.297 1.00 0.00 C ATOM 3 C4' DC A 1 -9.405 -2.999 -7.535 1.00 0.00 C ATOM 4 O4' DC A 1 -8.958 -4.281 -7.116 1.00 0.00 O ATOM 5 C3' DC A 1 -9.814 -2.228 -6.281 1.00 0.00 C ATOM 6 O3' DC A 1 -11.133 -2.599 -5.932 1.00 0.00 O ATOM 7 C2' DC A 1 -8.801 -2.794 -5.307 1.00 0.00 C ATOM 8 C1' DC A 1 -8.804 -4.267 -5.707 1.00 0.00 C ATOM 9 N1 DC A 1 -7.529 -4.896 -5.311 1.00 0.00 N ATOM 10 C2 DC A 1 -7.560 -6.122 -4.662 1.00 0.00 C ATOM 11 O2 DC A 1 -8.609 -6.748 -4.529 1.00 0.00 O ATOM 12 N3 DC A 1 -6.405 -6.604 -4.116 1.00 0.00 N ATOM 13 C4 DC A 1 -5.258 -5.925 -4.248 1.00 0.00 C ATOM 14 N4 DC A 1 -4.203 -6.315 -3.541 1.00 0.00 N ATOM 15 C5 DC A 1 -5.201 -4.686 -4.954 1.00 0.00 C ATOM 16 C6 DC A 1 -6.358 -4.212 -5.462 1.00 0.00 C ATOM 0 H5' DC A 1 -8.058 -2.864 -9.213 1.00 0.00 H new ATOM 0 H5'' DC A 1 -8.583 -1.310 -8.593 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.262 -3.055 -8.206 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.817 -1.140 -6.347 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.818 -2.337 -5.422 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.100 -2.648 -4.269 1.00 0.00 H new ATOM 0 HO5' DC A 1 -6.389 -1.780 -8.041 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.603 -4.825 -5.218 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.319 -5.813 -3.625 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.277 -7.116 -2.914 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.271 -4.150 -5.077 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.357 -3.274 -5.998 1.00 0.00 H new ATOM 29 P DG A 2 -11.922 -1.944 -4.683 1.00 0.00 P ATOM 30 OP1 DG A 2 -11.039 -1.950 -3.498 1.00 0.00 O ATOM 31 OP2 DG A 2 -13.231 -2.627 -4.597 1.00 0.00 O ATOM 32 O5' DG A 2 -12.217 -0.417 -5.146 1.00 0.00 O ATOM 33 C5' DG A 2 -11.205 0.520 -5.474 1.00 0.00 C ATOM 34 C4' DG A 2 -10.390 0.952 -4.256 1.00 0.00 C ATOM 35 O4' DG A 2 -9.330 0.041 -4.085 1.00 0.00 O ATOM 36 C3' DG A 2 -9.748 2.333 -4.421 1.00 0.00 C ATOM 37 O3' DG A 2 -10.213 3.176 -3.389 1.00 0.00 O ATOM 38 C2' DG A 2 -8.257 2.059 -4.270 1.00 0.00 C ATOM 39 C1' DG A 2 -8.244 0.734 -3.527 1.00 0.00 C ATOM 40 N9 DG A 2 -7.027 -0.030 -3.829 1.00 0.00 N ATOM 41 C8 DG A 2 -6.560 -0.410 -5.054 1.00 0.00 C ATOM 42 N7 DG A 2 -5.521 -1.198 -5.020 1.00 0.00 N ATOM 43 C5 DG A 2 -5.285 -1.352 -3.657 1.00 0.00 C ATOM 44 C6 DG A 2 -4.294 -2.110 -2.969 1.00 0.00 C ATOM 45 O6 DG A 2 -3.396 -2.806 -3.447 1.00 0.00 O ATOM 46 N1 DG A 2 -4.413 -2.002 -1.594 1.00 0.00 N ATOM 47 C2 DG A 2 -5.379 -1.270 -0.939 1.00 0.00 C ATOM 48 N2 DG A 2 -5.350 -1.200 0.385 1.00 0.00 N ATOM 49 N3 DG A 2 -6.307 -0.555 -1.575 1.00 0.00 N ATOM 50 C4 DG A 2 -6.208 -0.643 -2.923 1.00 0.00 C ATOM 0 H5' DG A 2 -11.662 1.398 -5.931 1.00 0.00 H new ATOM 0 H5'' DG A 2 -10.538 0.084 -6.217 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.078 0.982 -3.411 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.980 2.821 -5.367 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.757 1.988 -5.236 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.754 2.846 -3.707 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.290 0.874 -2.447 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.015 -0.084 -5.978 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.733 -2.503 -1.022 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.059 -0.662 0.883 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.619 -1.685 0.905 1.00 0.00 H new ATOM 62 P DA A 3 -9.618 4.660 -3.177 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.685 5.514 -2.611 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.917 5.070 -4.414 1.00 0.00 O ATOM 65 O5' DA A 3 -8.522 4.403 -2.031 1.00 0.00 O ATOM 66 C5' DA A 3 -8.954 4.067 -0.729 1.00 0.00 C ATOM 67 C4' DA A 3 -7.778 3.931 0.234 1.00 0.00 C ATOM 68 O4' DA A 3 -6.947 2.846 -0.144 1.00 0.00 O ATOM 69 C3' DA A 3 -6.937 5.203 0.274 1.00 0.00 C ATOM 70 O3' DA A 3 -6.856 5.595 1.628 1.00 0.00 O ATOM 71 C2' DA A 3 -5.614 4.747 -0.326 1.00 0.00 C ATOM 72 C1' DA A 3 -5.591 3.244 -0.084 1.00 0.00 C ATOM 73 N9 DA A 3 -4.872 2.603 -1.200 1.00 0.00 N ATOM 74 C8 DA A 3 -5.057 2.827 -2.541 1.00 0.00 C ATOM 75 N7 DA A 3 -4.251 2.159 -3.317 1.00 0.00 N ATOM 76 C5 DA A 3 -3.494 1.419 -2.416 1.00 0.00 C ATOM 77 C6 DA A 3 -2.453 0.496 -2.589 1.00 0.00 C ATOM 78 N6 DA A 3 -2.001 0.198 -3.803 1.00 0.00 N ATOM 79 N1 DA A 3 -1.953 -0.145 -1.520 1.00 0.00 N ATOM 80 C2 DA A 3 -2.453 0.144 -0.318 1.00 0.00 C ATOM 81 N3 DA A 3 -3.389 1.041 -0.016 1.00 0.00 N ATOM 82 C4 DA A 3 -3.887 1.647 -1.125 1.00 0.00 C ATOM 0 H5' DA A 3 -9.510 3.130 -0.760 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.638 4.832 -0.363 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.195 3.752 1.225 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.316 6.068 -0.270 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.558 4.980 -1.389 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.768 5.240 0.153 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.113 2.977 0.859 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.809 3.502 -2.922 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.243 -0.475 -3.914 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.412 0.643 -4.624 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.049 -0.418 0.511 1.00 0.00 H new ATOM 94 P DT A 4 -5.702 6.561 2.195 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.236 7.310 3.353 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.055 7.274 1.071 1.00 0.00 O ATOM 97 O5' DT A 4 -4.701 5.434 2.736 1.00 0.00 O ATOM 98 C5' DT A 4 -5.199 4.458 3.630 1.00 0.00 C ATOM 99 C4' DT A 4 -4.120 3.443 3.990 1.00 0.00 C ATOM 100 O4' DT A 4 -3.597 2.875 2.803 1.00 0.00 O ATOM 101 C3' DT A 4 -2.983 4.159 4.714 1.00 0.00 C ATOM 102 O3' DT A 4 -2.430 3.299 5.682 1.00 0.00 O ATOM 103 C2' DT A 4 -2.009 4.367 3.571 1.00 0.00 C ATOM 104 C1' DT A 4 -2.198 3.055 2.834 1.00 0.00 C ATOM 105 N1 DT A 4 -1.650 3.150 1.474 1.00 0.00 N ATOM 106 C2 DT A 4 -0.681 2.229 1.109 1.00 0.00 C ATOM 107 O2 DT A 4 -0.227 1.402 1.894 1.00 0.00 O ATOM 108 N3 DT A 4 -0.239 2.300 -0.197 1.00 0.00 N ATOM 109 C4 DT A 4 -0.701 3.178 -1.154 1.00 0.00 C ATOM 110 O4 DT A 4 -0.272 3.131 -2.301 1.00 0.00 O ATOM 111 C5 DT A 4 -1.708 4.109 -0.688 1.00 0.00 C ATOM 112 C7 DT A 4 -2.293 5.105 -1.658 1.00 0.00 C ATOM 113 C6 DT A 4 -2.145 4.072 0.592 1.00 0.00 C ATOM 0 H5' DT A 4 -6.048 3.946 3.178 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.564 4.942 4.536 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.550 2.668 4.624 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.264 5.072 5.238 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.263 5.232 2.958 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.985 4.510 3.915 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.685 2.222 3.314 1.00 0.00 H new ATOM 0 H3 DT A 4 0.492 1.647 -0.478 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.550 5.354 -2.416 1.00 0.00 H new ATOM 0 H72 DT A 4 -3.170 4.672 -2.139 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.582 6.009 -1.122 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.893 4.778 0.921 1.00 0.00 H new ATOM 126 P DC A 5 -1.400 3.853 6.783 1.00 0.00 P ATOM 127 OP1 DC A 5 -2.167 4.270 7.977 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.471 4.801 6.127 1.00 0.00 O ATOM 129 O5' DC A 5 -0.567 2.532 7.137 1.00 0.00 O ATOM 130 C5' DC A 5 0.133 1.857 6.118 1.00 0.00 C ATOM 131 C4' DC A 5 1.388 1.207 6.691 1.00 0.00 C ATOM 132 O4' DC A 5 2.267 0.856 5.640 1.00 0.00 O ATOM 133 C3' DC A 5 2.141 2.246 7.513 1.00 0.00 C ATOM 134 O3' DC A 5 2.933 1.628 8.503 1.00 0.00 O ATOM 135 C2' DC A 5 3.017 2.924 6.472 1.00 0.00 C ATOM 136 C1' DC A 5 2.977 2.017 5.244 1.00 0.00 C ATOM 137 N1 DC A 5 2.340 2.686 4.081 1.00 0.00 N ATOM 138 C2 DC A 5 2.674 2.200 2.826 1.00 0.00 C ATOM 139 O2 DC A 5 3.300 1.151 2.696 1.00 0.00 O ATOM 140 N3 DC A 5 2.406 2.959 1.729 1.00 0.00 N ATOM 141 C4 DC A 5 1.737 4.106 1.847 1.00 0.00 C ATOM 142 N4 DC A 5 1.479 4.780 0.732 1.00 0.00 N ATOM 143 C5 DC A 5 1.275 4.578 3.114 1.00 0.00 C ATOM 144 C6 DC A 5 1.626 3.851 4.202 1.00 0.00 C ATOM 0 H5' DC A 5 0.404 2.556 5.327 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.506 1.098 5.667 1.00 0.00 H new ATOM 0 H4' DC A 5 1.092 0.337 7.277 1.00 0.00 H new ATOM 0 H3' DC A 5 1.484 2.934 8.046 1.00 0.00 H new ATOM 0 H2' DC A 5 2.644 3.920 6.235 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.037 3.044 6.837 1.00 0.00 H new ATOM 0 H1' DC A 5 3.984 1.766 4.909 1.00 0.00 H new ATOM 0 H41 DC A 5 0.970 5.663 0.776 1.00 0.00 H new ATOM 0 H42 DC A 5 1.790 4.415 -0.168 1.00 0.00 H new ATOM 0 H5 DC A 5 0.675 5.472 3.200 1.00 0.00 H new ATOM 0 H6 DC A 5 1.338 4.196 5.184 1.00 0.00 H new ATOM 156 P DG A 6 3.785 2.514 9.542 1.00 0.00 P ATOM 157 OP1 DG A 6 4.089 1.682 10.727 1.00 0.00 O ATOM 158 OP2 DG A 6 3.108 3.819 9.707 1.00 0.00 O ATOM 159 O5' DG A 6 5.150 2.751 8.737 1.00 0.00 O ATOM 160 C5' DG A 6 6.006 1.657 8.479 1.00 0.00 C ATOM 161 C4' DG A 6 7.221 2.105 7.672 1.00 0.00 C ATOM 162 O4' DG A 6 6.756 2.758 6.510 1.00 0.00 O ATOM 163 C3' DG A 6 8.064 3.097 8.464 1.00 0.00 C ATOM 164 O3' DG A 6 9.435 2.867 8.228 1.00 0.00 O ATOM 165 C2' DG A 6 7.686 4.437 7.878 1.00 0.00 C ATOM 166 C1' DG A 6 7.323 4.051 6.459 1.00 0.00 C ATOM 167 N9 DG A 6 6.315 4.975 5.934 1.00 0.00 N ATOM 168 C8 DG A 6 4.977 4.924 6.165 1.00 0.00 C ATOM 169 N7 DG A 6 4.254 5.616 5.329 1.00 0.00 N ATOM 170 C5 DG A 6 5.211 6.235 4.526 1.00 0.00 C ATOM 171 C6 DG A 6 5.067 7.053 3.366 1.00 0.00 C ATOM 172 O6 DG A 6 4.039 7.349 2.759 1.00 0.00 O ATOM 173 N1 DG A 6 6.285 7.501 2.883 1.00 0.00 N ATOM 174 C2 DG A 6 7.500 7.224 3.458 1.00 0.00 C ATOM 175 N2 DG A 6 8.569 7.849 2.977 1.00 0.00 N ATOM 176 N3 DG A 6 7.660 6.378 4.477 1.00 0.00 N ATOM 177 C4 DG A 6 6.478 5.910 4.951 1.00 0.00 C ATOM 0 H5' DG A 6 5.464 0.885 7.932 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.331 1.213 9.420 1.00 0.00 H new ATOM 0 H4' DG A 6 7.830 1.233 7.432 1.00 0.00 H new ATOM 0 H3' DG A 6 7.895 3.024 9.538 1.00 0.00 H new ATOM 0 H2' DG A 6 6.849 4.895 8.406 1.00 0.00 H new ATOM 0 H2'' DG A 6 8.512 5.148 7.912 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.968 3.511 8.740 1.00 0.00 H new ATOM 0 H1' DG A 6 8.206 4.082 5.821 1.00 0.00 H new ATOM 0 H8 DG A 6 4.547 4.356 6.976 1.00 0.00 H new ATOM 0 H1 DG A 6 6.279 8.077 2.041 1.00 0.00 H new ATOM 0 H21 DG A 6 9.489 7.669 3.379 1.00 0.00 H new ATOM 0 H22 DG A 6 8.470 8.509 2.206 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 11.029 7.803 -5.963 1.00 0.00 O ATOM 191 C5' DC B 1 10.018 7.766 -4.981 1.00 0.00 C ATOM 192 C4' DC B 1 10.585 7.213 -3.680 1.00 0.00 C ATOM 193 O4' DC B 1 9.736 7.638 -2.629 1.00 0.00 O ATOM 194 C3' DC B 1 10.618 5.696 -3.736 1.00 0.00 C ATOM 195 O3' DC B 1 11.748 5.198 -3.053 1.00 0.00 O ATOM 196 C2' DC B 1 9.339 5.404 -2.989 1.00 0.00 C ATOM 197 C1' DC B 1 9.279 6.493 -1.953 1.00 0.00 C ATOM 198 N1 DC B 1 7.892 6.640 -1.478 1.00 0.00 N ATOM 199 C2 DC B 1 7.602 7.403 -0.352 1.00 0.00 C ATOM 200 O2 DC B 1 8.473 8.045 0.231 1.00 0.00 O ATOM 201 N3 DC B 1 6.322 7.396 0.132 1.00 0.00 N ATOM 202 C4 DC B 1 5.367 6.691 -0.489 1.00 0.00 C ATOM 203 N4 DC B 1 4.180 6.553 0.088 1.00 0.00 N ATOM 204 C5 DC B 1 5.655 5.929 -1.659 1.00 0.00 C ATOM 205 C6 DC B 1 6.916 5.933 -2.108 1.00 0.00 C ATOM 0 H5' DC B 1 9.190 7.144 -5.321 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.619 8.767 -4.818 1.00 0.00 H new ATOM 0 H4' DC B 1 11.602 7.573 -3.521 1.00 0.00 H new ATOM 0 H3' DC B 1 10.685 5.253 -4.730 1.00 0.00 H new ATOM 0 H2' DC B 1 8.473 5.431 -3.650 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.359 4.415 -2.531 1.00 0.00 H new ATOM 0 HO5' DC B 1 10.660 8.158 -6.799 1.00 0.00 H new ATOM 0 H1' DC B 1 9.882 6.294 -1.067 1.00 0.00 H new ATOM 0 H41 DC B 1 3.446 6.018 -0.377 1.00 0.00 H new ATOM 0 H42 DC B 1 4.001 6.982 0.996 1.00 0.00 H new ATOM 0 H5 DC B 1 4.883 5.368 -2.165 1.00 0.00 H new ATOM 0 H6 DC B 1 7.164 5.362 -2.990 1.00 0.00 H new ATOM 218 P DG B 2 12.128 3.640 -3.177 1.00 0.00 P ATOM 219 OP1 DG B 2 11.354 2.893 -2.161 1.00 0.00 O ATOM 220 OP2 DG B 2 13.602 3.515 -3.226 1.00 0.00 O ATOM 221 O5' DG B 2 11.541 3.330 -4.651 1.00 0.00 O ATOM 222 C5' DG B 2 11.257 2.021 -5.102 1.00 0.00 C ATOM 223 C4' DG B 2 10.198 1.339 -4.234 1.00 0.00 C ATOM 224 O4' DG B 2 9.116 2.182 -3.917 1.00 0.00 O ATOM 225 C3' DG B 2 9.572 0.126 -4.923 1.00 0.00 C ATOM 226 O3' DG B 2 10.155 -1.050 -4.408 1.00 0.00 O ATOM 227 C2' DG B 2 8.089 0.241 -4.565 1.00 0.00 C ATOM 228 C1' DG B 2 8.117 1.296 -3.471 1.00 0.00 C ATOM 229 N9 DG B 2 6.847 2.014 -3.284 1.00 0.00 N ATOM 230 C8 DG B 2 6.271 2.952 -4.093 1.00 0.00 C ATOM 231 N7 DG B 2 5.227 3.541 -3.576 1.00 0.00 N ATOM 232 C5 DG B 2 5.098 2.939 -2.326 1.00 0.00 C ATOM 233 C6 DG B 2 4.179 3.187 -1.261 1.00 0.00 C ATOM 234 O6 DG B 2 3.285 4.035 -1.198 1.00 0.00 O ATOM 235 N1 DG B 2 4.386 2.344 -0.183 1.00 0.00 N ATOM 236 C2 DG B 2 5.425 1.450 -0.074 1.00 0.00 C ATOM 237 N2 DG B 2 5.521 0.708 1.022 1.00 0.00 N ATOM 238 N3 DG B 2 6.318 1.245 -1.043 1.00 0.00 N ATOM 239 C4 DG B 2 6.093 2.010 -2.141 1.00 0.00 C ATOM 0 H5' DG B 2 12.171 1.427 -5.094 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.911 2.059 -6.135 1.00 0.00 H new ATOM 0 H4' DG B 2 10.748 1.055 -3.337 1.00 0.00 H new ATOM 0 H3' DG B 2 9.723 0.091 -6.002 1.00 0.00 H new ATOM 0 H2' DG B 2 7.485 0.551 -5.418 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.679 -0.705 -4.211 1.00 0.00 H new ATOM 0 H1' DG B 2 8.301 0.843 -2.497 1.00 0.00 H new ATOM 0 H8 DG B 2 6.648 3.187 -5.078 1.00 0.00 H new ATOM 0 H1 DG B 2 3.719 2.389 0.587 1.00 0.00 H new ATOM 0 H21 DG B 2 6.285 0.040 1.120 1.00 0.00 H new ATOM 0 H22 DG B 2 4.831 0.806 1.766 1.00 0.00 H new ATOM 251 P DA B 3 9.683 -2.502 -4.915 1.00 0.00 P ATOM 252 OP1 DA B 3 10.814 -3.442 -4.753 1.00 0.00 O ATOM 253 OP2 DA B 3 9.032 -2.348 -6.235 1.00 0.00 O ATOM 254 O5' DA B 3 8.558 -2.883 -3.836 1.00 0.00 O ATOM 255 C5' DA B 3 8.945 -3.356 -2.563 1.00 0.00 C ATOM 256 C4' DA B 3 7.722 -3.800 -1.767 1.00 0.00 C ATOM 257 O4' DA B 3 6.927 -2.680 -1.420 1.00 0.00 O ATOM 258 C3' DA B 3 6.884 -4.767 -2.598 1.00 0.00 C ATOM 259 O3' DA B 3 6.818 -5.998 -1.911 1.00 0.00 O ATOM 260 C2' DA B 3 5.550 -4.045 -2.719 1.00 0.00 C ATOM 261 C1' DA B 3 5.563 -2.994 -1.618 1.00 0.00 C ATOM 262 N9 DA B 3 4.887 -1.801 -2.151 1.00 0.00 N ATOM 263 C8 DA B 3 5.106 -1.210 -3.368 1.00 0.00 C ATOM 264 N7 DA B 3 4.279 -0.248 -3.659 1.00 0.00 N ATOM 265 C5 DA B 3 3.491 -0.167 -2.518 1.00 0.00 C ATOM 266 C6 DA B 3 2.435 0.680 -2.166 1.00 0.00 C ATOM 267 N6 DA B 3 1.992 1.597 -3.019 1.00 0.00 N ATOM 268 N1 DA B 3 1.931 0.623 -0.923 1.00 0.00 N ATOM 269 C2 DA B 3 2.434 -0.273 -0.073 1.00 0.00 C ATOM 270 N3 DA B 3 3.381 -1.178 -0.308 1.00 0.00 N ATOM 271 C4 DA B 3 3.885 -1.066 -1.564 1.00 0.00 C ATOM 0 H5' DA B 3 9.474 -2.572 -2.022 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.638 -4.190 -2.673 1.00 0.00 H new ATOM 0 H4' DA B 3 8.063 -4.296 -0.858 1.00 0.00 H new ATOM 0 H3' DA B 3 7.273 -5.012 -3.586 1.00 0.00 H new ATOM 0 H2' DA B 3 5.439 -3.585 -3.701 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.716 -4.736 -2.594 1.00 0.00 H new ATOM 0 H1' DA B 3 5.080 -3.327 -0.699 1.00 0.00 H new ATOM 0 H8 DA B 3 5.900 -1.518 -4.032 1.00 0.00 H new ATOM 0 H61 DA B 3 1.221 2.210 -2.754 1.00 0.00 H new ATOM 0 H62 DA B 3 2.423 1.688 -3.939 1.00 0.00 H new ATOM 0 H2 DA B 3 2.024 -0.263 0.926 1.00 0.00 H new ATOM 283 P DT B 4 5.682 -7.096 -2.217 1.00 0.00 P ATOM 284 OP1 DT B 4 6.151 -8.413 -1.734 1.00 0.00 O ATOM 285 OP2 DT B 4 5.198 -6.931 -3.605 1.00 0.00 O ATOM 286 O5' DT B 4 4.566 -6.551 -1.207 1.00 0.00 O ATOM 287 C5' DT B 4 4.932 -6.335 0.140 1.00 0.00 C ATOM 288 C4' DT B 4 3.801 -5.672 0.914 1.00 0.00 C ATOM 289 O4' DT B 4 3.411 -4.477 0.260 1.00 0.00 O ATOM 290 C3' DT B 4 2.599 -6.607 0.965 1.00 0.00 C ATOM 291 O3' DT B 4 2.087 -6.617 2.277 1.00 0.00 O ATOM 292 C2' DT B 4 1.643 -5.930 0.002 1.00 0.00 C ATOM 293 C1' DT B 4 2.001 -4.469 0.205 1.00 0.00 C ATOM 294 N1 DT B 4 1.533 -3.697 -0.955 1.00 0.00 N ATOM 295 C2 DT B 4 0.614 -2.681 -0.740 1.00 0.00 C ATOM 296 O2 DT B 4 0.176 -2.411 0.374 1.00 0.00 O ATOM 297 N3 DT B 4 0.212 -1.979 -1.861 1.00 0.00 N ATOM 298 C4 DT B 4 0.665 -2.192 -3.147 1.00 0.00 C ATOM 299 O4 DT B 4 0.258 -1.496 -4.071 1.00 0.00 O ATOM 300 C5 DT B 4 1.625 -3.271 -3.280 1.00 0.00 C ATOM 301 C7 DT B 4 2.205 -3.596 -4.633 1.00 0.00 C ATOM 302 C6 DT B 4 2.018 -3.982 -2.200 1.00 0.00 C ATOM 0 H5' DT B 4 5.823 -5.708 0.182 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.189 -7.286 0.608 1.00 0.00 H new ATOM 0 H4' DT B 4 4.147 -5.450 1.923 1.00 0.00 H new ATOM 0 H3' DT B 4 2.801 -7.646 0.705 1.00 0.00 H new ATOM 0 H2' DT B 4 1.800 -6.252 -1.027 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.601 -6.135 0.245 1.00 0.00 H new ATOM 0 H1' DT B 4 1.554 -4.024 1.094 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.478 -1.240 -1.726 1.00 0.00 H new ATOM 0 H71 DT B 4 3.211 -3.997 -4.511 1.00 0.00 H new ATOM 0 H72 DT B 4 1.578 -4.336 -5.130 1.00 0.00 H new ATOM 0 H73 DT B 4 2.246 -2.690 -5.238 1.00 0.00 H new ATOM 0 H6 DT B 4 2.726 -4.788 -2.323 1.00 0.00 H new ATOM 315 P DC B 5 0.992 -7.702 2.733 1.00 0.00 P ATOM 316 OP1 DC B 5 1.495 -8.397 3.937 1.00 0.00 O ATOM 317 OP2 DC B 5 0.570 -8.478 1.546 1.00 0.00 O ATOM 318 O5' DC B 5 -0.237 -6.766 3.165 1.00 0.00 O ATOM 319 C5' DC B 5 -0.095 -5.877 4.252 1.00 0.00 C ATOM 320 C4' DC B 5 -1.436 -5.274 4.679 1.00 0.00 C ATOM 321 O4' DC B 5 -1.902 -4.306 3.755 1.00 0.00 O ATOM 322 C3' DC B 5 -2.495 -6.363 4.766 1.00 0.00 C ATOM 323 O3' DC B 5 -3.414 -6.053 5.790 1.00 0.00 O ATOM 324 C2' DC B 5 -3.122 -6.304 3.381 1.00 0.00 C ATOM 325 C1' DC B 5 -2.869 -4.879 2.892 1.00 0.00 C ATOM 326 N1 DC B 5 -2.371 -4.834 1.496 1.00 0.00 N ATOM 327 C2 DC B 5 -2.640 -3.687 0.770 1.00 0.00 C ATOM 328 O2 DC B 5 -3.176 -2.713 1.292 1.00 0.00 O ATOM 329 N3 DC B 5 -2.407 -3.687 -0.571 1.00 0.00 N ATOM 330 C4 DC B 5 -1.823 -4.731 -1.158 1.00 0.00 C ATOM 331 N4 DC B 5 -1.610 -4.653 -2.468 1.00 0.00 N ATOM 332 C5 DC B 5 -1.412 -5.878 -0.411 1.00 0.00 C ATOM 333 C6 DC B 5 -1.725 -5.890 0.908 1.00 0.00 C ATOM 0 H5' DC B 5 0.592 -5.076 3.978 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.350 -6.404 5.096 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.271 -4.801 5.647 1.00 0.00 H new ATOM 0 H3' DC B 5 -2.120 -7.356 5.012 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.671 -7.037 2.712 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.189 -6.524 3.421 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.810 -4.329 2.906 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.166 -5.428 -2.960 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.891 -3.818 -2.981 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.878 -6.695 -0.874 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.460 -6.749 1.507 1.00 0.00 H new ATOM 345 P DG B 6 -4.550 -7.105 6.231 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.779 -6.962 7.686 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.216 -8.428 5.658 1.00 0.00 O ATOM 348 O5' DG B 6 -5.836 -6.534 5.466 1.00 0.00 O ATOM 349 C5' DG B 6 -6.358 -5.275 5.836 1.00 0.00 C ATOM 350 C4' DG B 6 -7.501 -4.870 4.910 1.00 0.00 C ATOM 351 O4' DG B 6 -7.042 -5.003 3.581 1.00 0.00 O ATOM 352 C3' DG B 6 -8.712 -5.777 5.092 1.00 0.00 C ATOM 353 O3' DG B 6 -9.903 -5.037 4.942 1.00 0.00 O ATOM 354 C2' DG B 6 -8.600 -6.754 3.944 1.00 0.00 C ATOM 355 C1' DG B 6 -7.855 -5.941 2.903 1.00 0.00 C ATOM 356 N9 DG B 6 -7.007 -6.833 2.106 1.00 0.00 N ATOM 357 C8 DG B 6 -5.752 -7.247 2.425 1.00 0.00 C ATOM 358 N7 DG B 6 -5.071 -7.733 1.425 1.00 0.00 N ATOM 359 C5 DG B 6 -5.986 -7.700 0.375 1.00 0.00 C ATOM 360 C6 DG B 6 -5.818 -7.986 -1.011 1.00 0.00 C ATOM 361 O6 DG B 6 -4.784 -8.273 -1.614 1.00 0.00 O ATOM 362 N1 DG B 6 -6.993 -7.847 -1.727 1.00 0.00 N ATOM 363 C2 DG B 6 -8.201 -7.496 -1.179 1.00 0.00 C ATOM 364 N2 DG B 6 -9.271 -7.552 -1.964 1.00 0.00 N ATOM 365 N3 DG B 6 -8.353 -7.121 0.095 1.00 0.00 N ATOM 366 C4 DG B 6 -7.204 -7.230 0.810 1.00 0.00 C ATOM 0 H5' DG B 6 -5.569 -4.524 5.798 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.714 -5.312 6.866 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.800 -3.847 5.140 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.736 -6.249 6.074 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.053 -7.653 4.227 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.578 -7.076 3.586 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.674 -5.631 5.059 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.557 -5.431 2.243 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.352 -7.179 3.426 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.959 -8.017 -2.732 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.188 -7.299 -1.595 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.176 -7.848 -2.936 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.911 2.535 3.680 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.904 3.271 3.025 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.332 3.958 1.952 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.962 3.796 2.053 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.883 4.384 1.373 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.586 4.201 1.866 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.383 3.389 2.993 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.461 2.731 3.605 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.731 2.975 3.134 1.00 0.00 N HETATM 388 C6 PPZ A 7 11.188 3.197 3.586 1.00 0.00 C HETATM 389 N6 PPZ A 7 12.151 4.123 3.229 1.00 0.00 N HETATM 390 N1 PPZ A 7 11.405 2.350 4.605 1.00 0.00 N HETATM 391 C2 PPZ A 7 10.380 1.653 5.090 1.00 0.00 C HETATM 392 N3 PPZ A 7 9.102 1.687 4.722 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.941 5.280 2.372 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.719 6.079 2.841 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.047 6.953 3.901 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.510 6.727 4.689 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.316 6.653 2.006 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.936 5.393 3.163 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.826 5.916 2.386 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.797 4.956 1.341 1.00 0.00 H new HETATM 0 H6 PPZ A 7 13.091 3.983 3.599 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.620 0.961 5.897 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.053 4.975 0.473 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.740 4.685 1.379 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.378 3.268 3.397 1.00 0.00 H new HETATM 0 H10 PPZ A 7 6.296 2.043 4.434 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.708 -3.141 0.886 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.686 -3.233 -0.111 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.075 -3.565 -1.321 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.753 -3.848 -1.041 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.711 -4.377 -1.817 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.522 -4.770 -1.191 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.380 -4.596 0.194 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.397 -3.986 0.944 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.570 -3.644 0.308 1.00 0.00 N HETATM 416 C6 PPZ B 7 -11.008 -3.029 0.311 1.00 0.00 C HETATM 417 N6 PPZ B 7 -12.056 -3.449 -0.487 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.234 -2.634 1.575 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.198 -2.512 2.404 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.913 -2.766 2.174 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.929 -4.227 -1.709 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.995 -5.425 -1.494 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.687 -6.544 -0.981 1.00 0.00 O HETATM 0 H8 PPZ B 7 -12.007 -7.099 -1.723 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.523 -5.692 -2.439 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.197 -5.145 -0.807 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.911 -4.577 -2.027 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.541 -3.596 -2.509 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.998 -3.191 -0.194 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.436 -2.156 3.406 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.826 -4.481 -2.896 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.713 -5.208 -1.775 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.472 -4.937 0.691 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.262 -3.787 2.007 1.00 0.00 H new