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 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 -127:sc= 0.617 USER MOD Single : B 1 DC O5' : rot 180:sc= -0.102 USER MOD Single : B 4 DT C7 :methyl -30:sc= -1.86! (180deg=-2.1!) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -122:sc= 0.712 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.888 -5.666 -9.012 1.00 0.00 O ATOM 2 C5' DC A 1 -7.591 -4.433 -8.392 1.00 0.00 C ATOM 3 C4' DC A 1 -8.867 -3.747 -7.902 1.00 0.00 C ATOM 4 O4' DC A 1 -9.434 -4.422 -6.795 1.00 0.00 O ATOM 5 C3' DC A 1 -8.559 -2.323 -7.475 1.00 0.00 C ATOM 6 O3' DC A 1 -9.524 -1.441 -7.997 1.00 0.00 O ATOM 7 C2' DC A 1 -8.636 -2.395 -5.961 1.00 0.00 C ATOM 8 C1' DC A 1 -8.894 -3.861 -5.617 1.00 0.00 C ATOM 9 N1 DC A 1 -7.619 -4.510 -5.231 1.00 0.00 N ATOM 10 C2 DC A 1 -7.658 -5.742 -4.586 1.00 0.00 C ATOM 11 O2 DC A 1 -8.711 -6.369 -4.475 1.00 0.00 O ATOM 12 N3 DC A 1 -6.509 -6.247 -4.048 1.00 0.00 N ATOM 13 C4 DC A 1 -5.357 -5.576 -4.162 1.00 0.00 C ATOM 14 N4 DC A 1 -4.283 -6.025 -3.521 1.00 0.00 N ATOM 15 C5 DC A 1 -5.302 -4.307 -4.811 1.00 0.00 C ATOM 16 C6 DC A 1 -6.446 -3.819 -5.322 1.00 0.00 C ATOM 0 H5' DC A 1 -7.071 -3.783 -9.096 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.916 -4.597 -7.552 1.00 0.00 H new ATOM 0 H4' DC A 1 -9.576 -3.761 -8.730 1.00 0.00 H new ATOM 0 H3' DC A 1 -7.596 -1.955 -7.829 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.709 -2.046 -5.507 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.436 -1.759 -5.581 1.00 0.00 H new ATOM 0 HO5' DC A 1 -7.058 -6.086 -9.319 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.575 -3.992 -4.776 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.397 -5.525 -3.598 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.344 -6.870 -2.952 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.375 -3.758 -4.889 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.436 -2.858 -5.816 1.00 0.00 H new ATOM 29 P DG A 2 -9.209 0.132 -8.123 1.00 0.00 P ATOM 30 OP1 DG A 2 -10.302 0.767 -8.891 1.00 0.00 O ATOM 31 OP2 DG A 2 -7.806 0.282 -8.568 1.00 0.00 O ATOM 32 O5' DG A 2 -9.303 0.640 -6.605 1.00 0.00 O ATOM 33 C5' DG A 2 -10.552 0.670 -5.948 1.00 0.00 C ATOM 34 C4' DG A 2 -10.385 1.115 -4.495 1.00 0.00 C ATOM 35 O4' DG A 2 -9.474 0.243 -3.850 1.00 0.00 O ATOM 36 C3' DG A 2 -9.830 2.531 -4.397 1.00 0.00 C ATOM 37 O3' DG A 2 -10.325 3.111 -3.210 1.00 0.00 O ATOM 38 C2' DG A 2 -8.339 2.262 -4.325 1.00 0.00 C ATOM 39 C1' DG A 2 -8.301 0.967 -3.526 1.00 0.00 C ATOM 40 N9 DG A 2 -7.111 0.180 -3.887 1.00 0.00 N ATOM 41 C8 DG A 2 -6.596 -0.080 -5.128 1.00 0.00 C ATOM 42 N7 DG A 2 -5.553 -0.866 -5.119 1.00 0.00 N ATOM 43 C5 DG A 2 -5.339 -1.113 -3.763 1.00 0.00 C ATOM 44 C6 DG A 2 -4.325 -1.866 -3.097 1.00 0.00 C ATOM 45 O6 DG A 2 -3.379 -2.484 -3.589 1.00 0.00 O ATOM 46 N1 DG A 2 -4.480 -1.865 -1.720 1.00 0.00 N ATOM 47 C2 DG A 2 -5.506 -1.239 -1.050 1.00 0.00 C ATOM 48 N2 DG A 2 -5.526 -1.280 0.275 1.00 0.00 N ATOM 49 N3 DG A 2 -6.442 -0.512 -1.660 1.00 0.00 N ATOM 50 C4 DG A 2 -6.303 -0.489 -3.008 1.00 0.00 C ATOM 0 H5' DG A 2 -11.010 -0.319 -5.981 1.00 0.00 H new ATOM 0 H5'' DG A 2 -11.226 1.351 -6.467 1.00 0.00 H new ATOM 0 H4' DG A 2 -11.368 1.090 -4.024 1.00 0.00 H new ATOM 0 H3' DG A 2 -10.093 3.213 -5.206 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.895 2.147 -5.314 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.801 3.068 -3.826 1.00 0.00 H new ATOM 0 H1' DG A 2 -8.253 1.176 -2.457 1.00 0.00 H new ATOM 0 H8 DG A 2 -7.015 0.329 -6.035 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.785 -2.363 -1.164 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.279 -0.821 0.788 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.788 -1.770 0.781 1.00 0.00 H new ATOM 62 P DA A 3 -9.823 4.551 -2.702 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.959 5.237 -2.047 1.00 0.00 O ATOM 64 OP2 DA A 3 -9.092 5.214 -3.804 1.00 0.00 O ATOM 65 O5' DA A 3 -8.767 4.136 -1.568 1.00 0.00 O ATOM 66 C5' DA A 3 -9.231 3.633 -0.333 1.00 0.00 C ATOM 67 C4' DA A 3 -8.075 3.511 0.656 1.00 0.00 C ATOM 68 O4' DA A 3 -7.172 2.491 0.265 1.00 0.00 O ATOM 69 C3' DA A 3 -7.327 4.836 0.720 1.00 0.00 C ATOM 70 O3' DA A 3 -7.419 5.321 2.041 1.00 0.00 O ATOM 71 C2' DA A 3 -5.919 4.459 0.282 1.00 0.00 C ATOM 72 C1' DA A 3 -5.843 2.947 0.438 1.00 0.00 C ATOM 73 N9 DA A 3 -5.039 2.428 -0.679 1.00 0.00 N ATOM 74 C8 DA A 3 -5.209 2.723 -2.006 1.00 0.00 C ATOM 75 N7 DA A 3 -4.326 2.182 -2.797 1.00 0.00 N ATOM 76 C5 DA A 3 -3.541 1.437 -1.923 1.00 0.00 C ATOM 77 C6 DA A 3 -2.445 0.587 -2.128 1.00 0.00 C ATOM 78 N6 DA A 3 -1.937 0.406 -3.342 1.00 0.00 N ATOM 79 N1 DA A 3 -1.947 -0.109 -1.093 1.00 0.00 N ATOM 80 C2 DA A 3 -2.489 0.070 0.109 1.00 0.00 C ATOM 81 N3 DA A 3 -3.479 0.893 0.448 1.00 0.00 N ATOM 82 C4 DA A 3 -3.983 1.547 -0.632 1.00 0.00 C ATOM 0 H5' DA A 3 -9.696 2.659 -0.481 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.997 4.294 0.072 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.486 3.256 1.633 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.710 5.639 0.090 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.734 4.758 -0.750 1.00 0.00 H new ATOM 0 H2'' DA A 3 -5.169 4.956 0.897 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.415 2.638 1.392 1.00 0.00 H new ATOM 0 H8 DA A 3 -6.009 3.352 -2.367 1.00 0.00 H new ATOM 0 H61 DA A 3 -1.139 -0.216 -3.474 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.345 0.889 -4.143 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.074 -0.526 0.909 1.00 0.00 H new ATOM 94 P DT A 4 -6.476 6.503 2.585 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.111 7.110 3.775 1.00 0.00 O ATOM 96 OP2 DT A 4 -6.044 7.347 1.449 1.00 0.00 O ATOM 97 O5' DT A 4 -5.243 5.606 3.067 1.00 0.00 O ATOM 98 C5' DT A 4 -5.491 4.546 3.965 1.00 0.00 C ATOM 99 C4' DT A 4 -4.250 3.681 4.122 1.00 0.00 C ATOM 100 O4' DT A 4 -3.834 3.203 2.854 1.00 0.00 O ATOM 101 C3' DT A 4 -3.110 4.501 4.717 1.00 0.00 C ATOM 102 O3' DT A 4 -2.569 3.789 5.805 1.00 0.00 O ATOM 103 C2' DT A 4 -2.137 4.579 3.556 1.00 0.00 C ATOM 104 C1' DT A 4 -2.426 3.283 2.828 1.00 0.00 C ATOM 105 N1 DT A 4 -1.924 3.403 1.452 1.00 0.00 N ATOM 106 C2 DT A 4 -0.919 2.539 1.048 1.00 0.00 C ATOM 107 O2 DT A 4 -0.414 1.708 1.796 1.00 0.00 O ATOM 108 N3 DT A 4 -0.502 2.673 -0.262 1.00 0.00 N ATOM 109 C4 DT A 4 -0.964 3.600 -1.170 1.00 0.00 C ATOM 110 O4 DT A 4 -0.513 3.628 -2.311 1.00 0.00 O ATOM 111 C5 DT A 4 -1.989 4.484 -0.652 1.00 0.00 C ATOM 112 C7 DT A 4 -2.577 5.547 -1.543 1.00 0.00 C ATOM 113 C6 DT A 4 -2.430 4.362 0.620 1.00 0.00 C ATOM 0 H5' DT A 4 -6.321 3.940 3.601 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.789 4.945 4.935 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.494 2.847 4.781 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.386 5.485 5.097 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.318 5.451 2.928 1.00 0.00 H new ATOM 0 H2'' DT A 4 -1.102 4.638 3.892 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.959 2.401 3.266 1.00 0.00 H new ATOM 0 H3 DT A 4 0.215 2.025 -0.587 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.608 5.741 -1.247 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.994 6.463 -1.450 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.555 5.207 -2.578 1.00 0.00 H new ATOM 0 H6 DT A 4 -3.194 5.033 0.984 1.00 0.00 H new ATOM 126 P DC A 5 -1.341 4.373 6.662 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.626 4.154 8.097 1.00 0.00 O ATOM 128 OP2 DC A 5 -1.008 5.726 6.166 1.00 0.00 O ATOM 129 O5' DC A 5 -0.158 3.380 6.227 1.00 0.00 O ATOM 130 C5' DC A 5 -0.287 1.996 6.479 1.00 0.00 C ATOM 131 C4' DC A 5 1.065 1.281 6.526 1.00 0.00 C ATOM 132 O4' DC A 5 1.617 1.102 5.234 1.00 0.00 O ATOM 133 C3' DC A 5 2.060 2.106 7.326 1.00 0.00 C ATOM 134 O3' DC A 5 2.981 1.247 7.961 1.00 0.00 O ATOM 135 C2' DC A 5 2.693 2.962 6.236 1.00 0.00 C ATOM 136 C1' DC A 5 2.576 2.110 4.971 1.00 0.00 C ATOM 137 N1 DC A 5 2.143 2.883 3.780 1.00 0.00 N ATOM 138 C2 DC A 5 2.519 2.404 2.532 1.00 0.00 C ATOM 139 O2 DC A 5 3.109 1.332 2.413 1.00 0.00 O ATOM 140 N3 DC A 5 2.323 3.190 1.435 1.00 0.00 N ATOM 141 C4 DC A 5 1.683 4.355 1.545 1.00 0.00 C ATOM 142 N4 DC A 5 1.535 5.086 0.443 1.00 0.00 N ATOM 143 C5 DC A 5 1.157 4.807 2.797 1.00 0.00 C ATOM 144 C6 DC A 5 1.426 4.044 3.885 1.00 0.00 C ATOM 0 H5' DC A 5 -0.906 1.545 5.704 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.805 1.849 7.427 1.00 0.00 H new ATOM 0 H4' DC A 5 0.888 0.308 6.985 1.00 0.00 H new ATOM 0 H3' DC A 5 1.639 2.707 8.132 1.00 0.00 H new ATOM 0 H2' DC A 5 2.172 3.913 6.125 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.733 3.193 6.465 1.00 0.00 H new ATOM 0 H1' DC A 5 3.561 1.706 4.739 1.00 0.00 H new ATOM 0 H41 DC A 5 1.051 5.983 0.487 1.00 0.00 H new ATOM 0 H42 DC A 5 1.905 4.749 -0.446 1.00 0.00 H new ATOM 0 H5 DC A 5 0.574 5.713 2.872 1.00 0.00 H new ATOM 0 H6 DC A 5 1.067 4.359 4.854 1.00 0.00 H new ATOM 156 P DG A 6 4.019 1.809 9.053 1.00 0.00 P ATOM 157 OP1 DG A 6 4.202 0.779 10.099 1.00 0.00 O ATOM 158 OP2 DG A 6 3.615 3.183 9.426 1.00 0.00 O ATOM 159 O5' DG A 6 5.363 1.894 8.195 1.00 0.00 O ATOM 160 C5' DG A 6 5.935 0.712 7.674 1.00 0.00 C ATOM 161 C4' DG A 6 7.113 1.073 6.780 1.00 0.00 C ATOM 162 O4' DG A 6 6.641 1.996 5.823 1.00 0.00 O ATOM 163 C3' DG A 6 8.214 1.744 7.591 1.00 0.00 C ATOM 164 O3' DG A 6 9.478 1.273 7.183 1.00 0.00 O ATOM 165 C2' DG A 6 8.099 3.208 7.233 1.00 0.00 C ATOM 166 C1' DG A 6 7.463 3.142 5.861 1.00 0.00 C ATOM 167 N9 DG A 6 6.627 4.327 5.659 1.00 0.00 N ATOM 168 C8 DG A 6 5.329 4.481 6.034 1.00 0.00 C ATOM 169 N7 DG A 6 4.718 5.485 5.468 1.00 0.00 N ATOM 170 C5 DG A 6 5.719 6.067 4.689 1.00 0.00 C ATOM 171 C6 DG A 6 5.655 7.109 3.717 1.00 0.00 C ATOM 172 O6 DG A 6 4.668 7.733 3.328 1.00 0.00 O ATOM 173 N1 DG A 6 6.881 7.355 3.121 1.00 0.00 N ATOM 174 C2 DG A 6 8.044 6.691 3.430 1.00 0.00 C ATOM 175 N2 DG A 6 9.169 7.089 2.847 1.00 0.00 N ATOM 176 N3 DG A 6 8.102 5.659 4.272 1.00 0.00 N ATOM 177 C4 DG A 6 6.906 5.393 4.852 1.00 0.00 C ATOM 0 H5' DG A 6 5.191 0.154 7.106 1.00 0.00 H new ATOM 0 H5'' DG A 6 6.266 0.066 8.487 1.00 0.00 H new ATOM 0 H4' DG A 6 7.518 0.173 6.317 1.00 0.00 H new ATOM 0 H3' DG A 6 8.115 1.549 8.659 1.00 0.00 H new ATOM 0 H2' DG A 6 7.481 3.756 7.944 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.071 3.701 7.210 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.177 1.713 7.710 1.00 0.00 H new ATOM 0 H1' DG A 6 8.229 3.100 5.087 1.00 0.00 H new ATOM 0 H8 DG A 6 4.844 3.826 6.742 1.00 0.00 H new ATOM 0 H1 DG A 6 6.924 8.079 2.403 1.00 0.00 H new ATOM 0 H21 DG A 6 10.048 6.615 3.057 1.00 0.00 H new ATOM 0 H22 DG A 6 9.154 7.869 2.189 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 10.077 5.767 -6.238 1.00 0.00 O ATOM 191 C5' DC B 1 9.396 6.708 -5.423 1.00 0.00 C ATOM 192 C4' DC B 1 9.993 6.766 -4.018 1.00 0.00 C ATOM 193 O4' DC B 1 9.113 7.465 -3.159 1.00 0.00 O ATOM 194 C3' DC B 1 10.144 5.343 -3.492 1.00 0.00 C ATOM 195 O3' DC B 1 11.385 5.250 -2.825 1.00 0.00 O ATOM 196 C2' DC B 1 8.948 5.242 -2.566 1.00 0.00 C ATOM 197 C1' DC B 1 8.906 6.663 -2.017 1.00 0.00 C ATOM 198 N1 DC B 1 7.593 6.962 -1.419 1.00 0.00 N ATOM 199 C2 DC B 1 7.557 7.627 -0.202 1.00 0.00 C ATOM 200 O2 DC B 1 8.586 8.052 0.321 1.00 0.00 O ATOM 201 N3 DC B 1 6.362 7.754 0.442 1.00 0.00 N ATOM 202 C4 DC B 1 5.237 7.298 -0.122 1.00 0.00 C ATOM 203 N4 DC B 1 4.136 7.238 0.619 1.00 0.00 N ATOM 204 C5 DC B 1 5.248 6.670 -1.403 1.00 0.00 C ATOM 205 C6 DC B 1 6.444 6.521 -2.010 1.00 0.00 C ATOM 0 H5' DC B 1 8.341 6.441 -5.361 1.00 0.00 H new ATOM 0 H5'' DC B 1 9.448 7.695 -5.883 1.00 0.00 H new ATOM 0 H4' DC B 1 10.959 7.270 -4.052 1.00 0.00 H new ATOM 0 H3' DC B 1 10.153 4.542 -4.231 1.00 0.00 H new ATOM 0 H2' DC B 1 8.034 4.974 -3.096 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.091 4.498 -1.782 1.00 0.00 H new ATOM 0 HO5' DC B 1 9.671 5.752 -7.130 1.00 0.00 H new ATOM 0 H1' DC B 1 9.643 6.829 -1.231 1.00 0.00 H new ATOM 0 H41 DC B 1 3.266 6.894 0.213 1.00 0.00 H new ATOM 0 H42 DC B 1 4.161 7.536 1.594 1.00 0.00 H new ATOM 0 H5 DC B 1 4.336 6.328 -1.868 1.00 0.00 H new ATOM 0 H6 DC B 1 6.493 6.045 -2.978 1.00 0.00 H new ATOM 218 P DG B 2 12.071 3.813 -2.599 1.00 0.00 P ATOM 219 OP1 DG B 2 11.194 2.984 -1.743 1.00 0.00 O ATOM 220 OP2 DG B 2 13.489 4.020 -2.234 1.00 0.00 O ATOM 221 O5' DG B 2 12.000 3.348 -4.153 1.00 0.00 O ATOM 222 C5' DG B 2 11.748 2.016 -4.573 1.00 0.00 C ATOM 223 C4' DG B 2 10.461 1.450 -3.972 1.00 0.00 C ATOM 224 O4' DG B 2 9.442 2.407 -3.828 1.00 0.00 O ATOM 225 C3' DG B 2 9.809 0.332 -4.785 1.00 0.00 C ATOM 226 O3' DG B 2 10.313 -0.909 -4.344 1.00 0.00 O ATOM 227 C2' DG B 2 8.321 0.519 -4.466 1.00 0.00 C ATOM 228 C1' DG B 2 8.357 1.619 -3.413 1.00 0.00 C ATOM 229 N9 DG B 2 7.130 2.421 -3.296 1.00 0.00 N ATOM 230 C8 DG B 2 6.715 3.475 -4.059 1.00 0.00 C ATOM 231 N7 DG B 2 5.649 4.079 -3.611 1.00 0.00 N ATOM 232 C5 DG B 2 5.332 3.367 -2.454 1.00 0.00 C ATOM 233 C6 DG B 2 4.282 3.541 -1.500 1.00 0.00 C ATOM 234 O6 DG B 2 3.358 4.356 -1.511 1.00 0.00 O ATOM 235 N1 DG B 2 4.374 2.650 -0.443 1.00 0.00 N ATOM 236 C2 DG B 2 5.371 1.711 -0.295 1.00 0.00 C ATOM 237 N2 DG B 2 5.336 0.879 0.736 1.00 0.00 N ATOM 238 N3 DG B 2 6.340 1.528 -1.191 1.00 0.00 N ATOM 239 C4 DG B 2 6.264 2.382 -2.239 1.00 0.00 C ATOM 0 H5' DG B 2 12.588 1.383 -4.288 1.00 0.00 H new ATOM 0 H5'' DG B 2 11.682 1.987 -5.661 1.00 0.00 H new ATOM 0 H4' DG B 2 10.822 1.077 -3.013 1.00 0.00 H new ATOM 0 H3' DG B 2 9.999 0.359 -5.858 1.00 0.00 H new ATOM 0 H2' DG B 2 7.750 0.815 -5.346 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.868 -0.396 -4.085 1.00 0.00 H new ATOM 0 H1' DG B 2 8.451 1.195 -2.413 1.00 0.00 H new ATOM 0 H8 DG B 2 7.227 3.783 -4.959 1.00 0.00 H new ATOM 0 H1 DG B 2 3.652 2.692 0.277 1.00 0.00 H new ATOM 0 H21 DG B 2 6.070 0.181 0.853 1.00 0.00 H new ATOM 0 H22 DG B 2 4.575 0.937 1.412 1.00 0.00 H new ATOM 251 P DA B 3 9.629 -2.300 -4.775 1.00 0.00 P ATOM 252 OP1 DA B 3 10.617 -3.385 -4.589 1.00 0.00 O ATOM 253 OP2 DA B 3 8.956 -2.119 -6.080 1.00 0.00 O ATOM 254 O5' DA B 3 8.511 -2.440 -3.633 1.00 0.00 O ATOM 255 C5' DA B 3 8.911 -2.573 -2.286 1.00 0.00 C ATOM 256 C4' DA B 3 7.709 -2.876 -1.397 1.00 0.00 C ATOM 257 O4' DA B 3 6.843 -1.758 -1.337 1.00 0.00 O ATOM 258 C3' DA B 3 6.919 -4.053 -1.954 1.00 0.00 C ATOM 259 O3' DA B 3 6.507 -4.822 -0.854 1.00 0.00 O ATOM 260 C2' DA B 3 5.732 -3.361 -2.597 1.00 0.00 C ATOM 261 C1' DA B 3 5.535 -2.200 -1.636 1.00 0.00 C ATOM 262 N9 DA B 3 4.785 -1.122 -2.294 1.00 0.00 N ATOM 263 C8 DA B 3 5.024 -0.539 -3.511 1.00 0.00 C ATOM 264 N7 DA B 3 4.151 0.371 -3.849 1.00 0.00 N ATOM 265 C5 DA B 3 3.300 0.414 -2.749 1.00 0.00 C ATOM 266 C6 DA B 3 2.174 1.192 -2.437 1.00 0.00 C ATOM 267 N6 DA B 3 1.678 2.081 -3.293 1.00 0.00 N ATOM 268 N1 DA B 3 1.611 1.070 -1.225 1.00 0.00 N ATOM 269 C2 DA B 3 2.123 0.194 -0.365 1.00 0.00 C ATOM 270 N3 DA B 3 3.137 -0.639 -0.557 1.00 0.00 N ATOM 271 C4 DA B 3 3.698 -0.465 -1.780 1.00 0.00 C ATOM 0 H5' DA B 3 9.395 -1.655 -1.952 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.647 -3.372 -2.197 1.00 0.00 H new ATOM 0 H4' DA B 3 8.085 -3.113 -0.402 1.00 0.00 H new ATOM 0 H3' DA B 3 7.452 -4.704 -2.647 1.00 0.00 H new ATOM 0 H2' DA B 3 5.947 -3.027 -3.612 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.856 -4.007 -2.652 1.00 0.00 H new ATOM 0 H1' DA B 3 4.977 -2.490 -0.746 1.00 0.00 H new ATOM 0 H8 DA B 3 5.862 -0.809 -4.136 1.00 0.00 H new ATOM 0 H61 DA B 3 0.858 2.632 -3.038 1.00 0.00 H new ATOM 0 H62 DA B 3 2.117 2.212 -4.204 1.00 0.00 H new ATOM 0 H2 DA B 3 1.656 0.156 0.608 1.00 0.00 H new ATOM 283 P DT B 4 5.653 -6.165 -1.037 1.00 0.00 P ATOM 284 OP1 DT B 4 6.473 -7.139 -1.789 1.00 0.00 O ATOM 285 OP2 DT B 4 4.298 -5.808 -1.519 1.00 0.00 O ATOM 286 O5' DT B 4 5.570 -6.642 0.496 1.00 0.00 O ATOM 287 C5' DT B 4 5.505 -5.700 1.552 1.00 0.00 C ATOM 288 C4' DT B 4 4.112 -5.093 1.726 1.00 0.00 C ATOM 289 O4' DT B 4 3.779 -4.103 0.770 1.00 0.00 O ATOM 290 C3' DT B 4 3.043 -6.180 1.637 1.00 0.00 C ATOM 291 O3' DT B 4 2.407 -6.270 2.890 1.00 0.00 O ATOM 292 C2' DT B 4 2.127 -5.627 0.556 1.00 0.00 C ATOM 293 C1' DT B 4 2.370 -4.144 0.713 1.00 0.00 C ATOM 294 N1 DT B 4 1.808 -3.431 -0.440 1.00 0.00 N ATOM 295 C2 DT B 4 0.727 -2.590 -0.222 1.00 0.00 C ATOM 296 O2 DT B 4 0.217 -2.439 0.883 1.00 0.00 O ATOM 297 N3 DT B 4 0.229 -1.942 -1.337 1.00 0.00 N ATOM 298 C4 DT B 4 0.731 -2.047 -2.617 1.00 0.00 C ATOM 299 O4 DT B 4 0.223 -1.418 -3.539 1.00 0.00 O ATOM 300 C5 DT B 4 1.869 -2.934 -2.752 1.00 0.00 C ATOM 301 C7 DT B 4 2.566 -3.034 -4.087 1.00 0.00 C ATOM 302 C6 DT B 4 2.357 -3.597 -1.679 1.00 0.00 C ATOM 0 H5' DT B 4 6.222 -4.901 1.364 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.803 -6.184 2.482 1.00 0.00 H new ATOM 0 H4' DT B 4 4.140 -4.619 2.707 1.00 0.00 H new ATOM 0 H3' DT B 4 3.394 -7.184 1.401 1.00 0.00 H new ATOM 0 H2' DT B 4 2.395 -5.987 -0.437 1.00 0.00 H new ATOM 0 H2'' DT B 4 1.083 -5.895 0.721 1.00 0.00 H new ATOM 0 H1' DT B 4 1.907 -3.669 1.578 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.579 -1.334 -1.201 1.00 0.00 H new ATOM 0 H71 DT B 4 1.848 -2.851 -4.887 1.00 0.00 H new ATOM 0 H72 DT B 4 3.363 -2.292 -4.138 1.00 0.00 H new ATOM 0 H73 DT B 4 2.990 -4.031 -4.202 1.00 0.00 H new ATOM 0 H6 DT B 4 3.194 -4.268 -1.804 1.00 0.00 H new ATOM 315 P DC B 5 1.223 -7.321 3.151 1.00 0.00 P ATOM 316 OP1 DC B 5 1.440 -7.960 4.468 1.00 0.00 O ATOM 317 OP2 DC B 5 1.040 -8.151 1.940 1.00 0.00 O ATOM 318 O5' DC B 5 -0.038 -6.340 3.272 1.00 0.00 O ATOM 319 C5' DC B 5 -0.141 -5.467 4.379 1.00 0.00 C ATOM 320 C4' DC B 5 -1.600 -5.140 4.710 1.00 0.00 C ATOM 321 O4' DC B 5 -2.157 -4.225 3.781 1.00 0.00 O ATOM 322 C3' DC B 5 -2.432 -6.413 4.633 1.00 0.00 C ATOM 323 O3' DC B 5 -3.553 -6.305 5.477 1.00 0.00 O ATOM 324 C2' DC B 5 -2.806 -6.402 3.159 1.00 0.00 C ATOM 325 C1' DC B 5 -2.863 -4.934 2.781 1.00 0.00 C ATOM 326 N1 DC B 5 -2.272 -4.679 1.445 1.00 0.00 N ATOM 327 C2 DC B 5 -2.658 -3.529 0.770 1.00 0.00 C ATOM 328 O2 DC B 5 -3.284 -2.636 1.335 1.00 0.00 O ATOM 329 N3 DC B 5 -2.433 -3.448 -0.572 1.00 0.00 N ATOM 330 C4 DC B 5 -1.720 -4.390 -1.193 1.00 0.00 C ATOM 331 N4 DC B 5 -1.546 -4.272 -2.507 1.00 0.00 N ATOM 332 C5 DC B 5 -1.148 -5.492 -0.481 1.00 0.00 C ATOM 333 C6 DC B 5 -1.477 -5.605 0.829 1.00 0.00 C ATOM 0 H5' DC B 5 0.399 -4.545 4.166 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.336 -5.923 5.247 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.615 -4.702 5.708 1.00 0.00 H new ATOM 0 H3' DC B 5 -1.937 -7.331 4.951 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.068 -6.936 2.560 1.00 0.00 H new ATOM 0 H2'' DC B 5 -3.766 -6.891 2.991 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.901 -4.607 2.720 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.007 -4.973 -3.015 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.952 -3.480 -3.006 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.488 -6.198 -0.963 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.103 -6.444 1.398 1.00 0.00 H new ATOM 345 P DG B 6 -4.412 -7.602 5.887 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.373 -7.750 7.358 1.00 0.00 O ATOM 347 OP2 DG B 6 -4.020 -8.729 5.012 1.00 0.00 O ATOM 348 O5' DG B 6 -5.877 -7.125 5.459 1.00 0.00 O ATOM 349 C5' DG B 6 -6.413 -5.942 6.012 1.00 0.00 C ATOM 350 C4' DG B 6 -7.605 -5.470 5.185 1.00 0.00 C ATOM 351 O4' DG B 6 -7.183 -5.381 3.839 1.00 0.00 O ATOM 352 C3' DG B 6 -8.757 -6.464 5.255 1.00 0.00 C ATOM 353 O3' DG B 6 -9.991 -5.784 5.208 1.00 0.00 O ATOM 354 C2' DG B 6 -8.599 -7.280 3.992 1.00 0.00 C ATOM 355 C1' DG B 6 -7.923 -6.299 3.054 1.00 0.00 C ATOM 356 N9 DG B 6 -7.010 -7.027 2.165 1.00 0.00 N ATOM 357 C8 DG B 6 -5.722 -7.369 2.434 1.00 0.00 C ATOM 358 N7 DG B 6 -5.030 -7.743 1.394 1.00 0.00 N ATOM 359 C5 DG B 6 -5.963 -7.690 0.359 1.00 0.00 C ATOM 360 C6 DG B 6 -5.797 -7.860 -1.048 1.00 0.00 C ATOM 361 O6 DG B 6 -4.762 -8.075 -1.678 1.00 0.00 O ATOM 362 N1 DG B 6 -6.978 -7.687 -1.747 1.00 0.00 N ATOM 363 C2 DG B 6 -8.193 -7.421 -1.168 1.00 0.00 C ATOM 364 N2 DG B 6 -9.263 -7.417 -1.957 1.00 0.00 N ATOM 365 N3 DG B 6 -8.352 -7.180 0.137 1.00 0.00 N ATOM 366 C4 DG B 6 -7.195 -7.312 0.838 1.00 0.00 C ATOM 0 H5' DG B 6 -5.649 -5.165 6.039 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.723 -6.120 7.042 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.950 -4.512 5.573 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.742 -7.058 6.168 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.991 -8.170 4.156 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.560 -7.618 3.603 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.724 -6.433 5.252 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.665 -5.774 2.452 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.305 -7.334 3.430 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.943 -7.762 -2.764 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.185 -7.224 -1.565 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.162 -7.607 -2.954 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.251 1.853 2.681 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.324 2.387 1.961 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.847 3.366 1.087 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.519 3.576 1.408 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.582 4.533 0.989 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.361 4.635 1.667 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.085 3.766 2.731 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.991 2.750 3.075 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.200 2.695 2.417 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.591 1.888 2.298 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.723 2.608 1.965 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.680 0.854 3.149 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.563 0.380 3.699 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.316 0.821 3.560 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.746 3.937 1.372 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.794 4.887 2.113 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.369 5.390 3.300 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.762 5.228 4.052 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.528 5.717 1.459 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.870 4.361 2.352 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.760 4.335 1.403 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.460 3.876 0.322 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.624 2.168 2.152 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.688 -0.485 4.350 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.802 5.189 0.146 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.630 5.386 1.369 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.160 3.880 3.296 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.743 2.021 3.846 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.693 -3.335 1.406 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.674 -3.365 0.409 1.00 0.00 C HETATM 409 N7 PPZ B 7 -9.063 -3.574 -0.828 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.732 -3.850 -0.581 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.685 -4.293 -1.406 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.475 -4.684 -0.820 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.332 -4.621 0.575 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.355 -4.093 1.377 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.544 -3.745 0.779 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.998 -3.226 0.852 1.00 0.00 C HETATM 417 N6 PPZ B 7 -12.046 -3.542 0.007 1.00 0.00 N HETATM 418 N1 PPZ B 7 -11.228 -2.965 2.149 1.00 0.00 N HETATM 419 C2 PPZ B 7 -10.192 -2.899 2.984 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.901 -3.086 2.723 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.921 -4.120 -1.322 1.00 0.00 C HETATM 422 C7 PPZ B 7 -11.004 -5.348 -1.289 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.691 -6.509 -0.875 1.00 0.00 O HETATM 0 H8 PPZ B 7 -11.254 -6.882 -0.081 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.581 -5.511 -2.280 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -10.170 -5.160 -0.613 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.905 -4.403 -1.696 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.520 -3.377 -2.012 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.990 -3.353 0.345 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.435 -2.660 4.019 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.813 -4.332 -2.488 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.651 -5.034 -1.442 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.416 -4.986 1.040 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -6.211 -3.962 2.449 1.00 0.00 H new