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 64:sc= -1.6! 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 -128:sc= 0.531 USER MOD Single : B 1 DC O5' : rot 180:sc= 0 USER MOD Single : B 4 DT C7 :methyl -30:sc= -0.153 (180deg=-0.225) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -148:sc= 1.46 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -5.719 -1.778 -7.801 1.00 0.00 O ATOM 2 C5' DC A 1 -6.471 -2.071 -8.961 1.00 0.00 C ATOM 3 C4' DC A 1 -7.855 -2.643 -8.628 1.00 0.00 C ATOM 4 O4' DC A 1 -7.705 -3.866 -7.930 1.00 0.00 O ATOM 5 C3' DC A 1 -8.676 -1.713 -7.738 1.00 0.00 C ATOM 6 O3' DC A 1 -10.041 -2.038 -7.889 1.00 0.00 O ATOM 7 C2' DC A 1 -8.176 -2.159 -6.374 1.00 0.00 C ATOM 8 C1' DC A 1 -8.065 -3.671 -6.573 1.00 0.00 C ATOM 9 N1 DC A 1 -7.016 -4.265 -5.723 1.00 0.00 N ATOM 10 C2 DC A 1 -7.232 -5.521 -5.172 1.00 0.00 C ATOM 11 O2 DC A 1 -8.333 -6.068 -5.225 1.00 0.00 O ATOM 12 N3 DC A 1 -6.204 -6.138 -4.519 1.00 0.00 N ATOM 13 C4 DC A 1 -5.013 -5.540 -4.413 1.00 0.00 C ATOM 14 N4 DC A 1 -4.065 -6.128 -3.691 1.00 0.00 N ATOM 15 C5 DC A 1 -4.791 -4.227 -4.920 1.00 0.00 C ATOM 16 C6 DC A 1 -5.816 -3.634 -5.569 1.00 0.00 C ATOM 0 H5' DC A 1 -5.923 -2.785 -9.576 1.00 0.00 H new ATOM 0 H5'' DC A 1 -6.588 -1.164 -9.554 1.00 0.00 H new ATOM 0 H4' DC A 1 -8.375 -2.774 -9.577 1.00 0.00 H new ATOM 0 H3' DC A 1 -8.581 -0.645 -7.934 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.217 -1.707 -6.120 1.00 0.00 H new ATOM 0 H2'' DC A 1 -8.872 -1.900 -5.576 1.00 0.00 H new ATOM 0 HO5' DC A 1 -5.531 -2.608 -7.315 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.010 -4.146 -6.307 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.149 -5.689 -3.597 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.253 -7.019 -3.231 1.00 0.00 H new ATOM 0 H5 DC A 1 -3.843 -3.727 -4.791 1.00 0.00 H new ATOM 0 H6 DC A 1 -5.683 -2.642 -5.974 1.00 0.00 H new ATOM 29 P DG A 2 -11.209 -0.997 -7.503 1.00 0.00 P ATOM 30 OP1 DG A 2 -12.479 -1.750 -7.424 1.00 0.00 O ATOM 31 OP2 DG A 2 -11.097 0.162 -8.417 1.00 0.00 O ATOM 32 O5' DG A 2 -10.834 -0.500 -6.022 1.00 0.00 O ATOM 33 C5' DG A 2 -10.358 0.813 -5.818 1.00 0.00 C ATOM 34 C4' DG A 2 -9.877 0.975 -4.381 1.00 0.00 C ATOM 35 O4' DG A 2 -8.787 0.101 -4.171 1.00 0.00 O ATOM 36 C3' DG A 2 -9.384 2.398 -4.119 1.00 0.00 C ATOM 37 O3' DG A 2 -9.969 2.846 -2.916 1.00 0.00 O ATOM 38 C2' DG A 2 -7.879 2.220 -3.978 1.00 0.00 C ATOM 39 C1' DG A 2 -7.803 0.799 -3.446 1.00 0.00 C ATOM 40 N9 DG A 2 -6.499 0.176 -3.718 1.00 0.00 N ATOM 41 C8 DG A 2 -5.855 0.018 -4.916 1.00 0.00 C ATOM 42 N7 DG A 2 -4.811 -0.765 -4.865 1.00 0.00 N ATOM 43 C5 DG A 2 -4.752 -1.140 -3.523 1.00 0.00 C ATOM 44 C6 DG A 2 -3.853 -2.008 -2.835 1.00 0.00 C ATOM 45 O6 DG A 2 -2.914 -2.659 -3.296 1.00 0.00 O ATOM 46 N1 DG A 2 -4.129 -2.086 -1.480 1.00 0.00 N ATOM 47 C2 DG A 2 -5.152 -1.418 -0.846 1.00 0.00 C ATOM 48 N2 DG A 2 -5.265 -1.507 0.472 1.00 0.00 N ATOM 49 N3 DG A 2 -6.013 -0.627 -1.485 1.00 0.00 N ATOM 50 C4 DG A 2 -5.763 -0.538 -2.814 1.00 0.00 C ATOM 0 H5' DG A 2 -11.149 1.532 -6.029 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.542 1.025 -6.509 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.710 0.754 -3.714 1.00 0.00 H new ATOM 0 H3' DG A 2 -9.635 3.126 -4.891 1.00 0.00 H new ATOM 0 H2' DG A 2 -7.360 2.332 -4.930 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.441 2.942 -3.289 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.945 0.783 -2.365 1.00 0.00 H new ATOM 0 H8 DG A 2 -6.182 0.500 -5.825 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.530 -2.683 -0.910 1.00 0.00 H new ATOM 0 H21 DG A 2 -6.019 -1.017 0.954 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.598 -2.066 1.004 1.00 0.00 H new ATOM 62 P DA A 3 -9.643 4.301 -2.311 1.00 0.00 P ATOM 63 OP1 DA A 3 -10.857 4.807 -1.635 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.988 5.111 -3.362 1.00 0.00 O ATOM 65 O5' DA A 3 -8.553 3.952 -1.186 1.00 0.00 O ATOM 66 C5' DA A 3 -8.962 3.319 0.009 1.00 0.00 C ATOM 67 C4' DA A 3 -7.803 3.243 0.999 1.00 0.00 C ATOM 68 O4' DA A 3 -6.828 2.318 0.560 1.00 0.00 O ATOM 69 C3' DA A 3 -7.150 4.609 1.166 1.00 0.00 C ATOM 70 O3' DA A 3 -7.257 4.968 2.526 1.00 0.00 O ATOM 71 C2' DA A 3 -5.720 4.372 0.697 1.00 0.00 C ATOM 72 C1' DA A 3 -5.540 2.861 0.767 1.00 0.00 C ATOM 73 N9 DA A 3 -4.708 2.415 -0.360 1.00 0.00 N ATOM 74 C8 DA A 3 -4.825 2.777 -1.677 1.00 0.00 C ATOM 75 N7 DA A 3 -3.955 2.215 -2.469 1.00 0.00 N ATOM 76 C5 DA A 3 -3.239 1.389 -1.609 1.00 0.00 C ATOM 77 C6 DA A 3 -2.180 0.492 -1.814 1.00 0.00 C ATOM 78 N6 DA A 3 -1.646 0.323 -3.020 1.00 0.00 N ATOM 79 N1 DA A 3 -1.738 -0.250 -0.786 1.00 0.00 N ATOM 80 C2 DA A 3 -2.302 -0.083 0.411 1.00 0.00 C ATOM 81 N3 DA A 3 -3.270 0.765 0.745 1.00 0.00 N ATOM 82 C4 DA A 3 -3.712 1.472 -0.328 1.00 0.00 C ATOM 0 H5' DA A 3 -9.326 2.315 -0.211 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.792 3.869 0.453 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.207 2.914 1.956 1.00 0.00 H new ATOM 0 H3' DA A 3 -7.596 5.429 0.604 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.568 4.743 -0.317 1.00 0.00 H new ATOM 0 H2'' DA A 3 -5.002 4.887 1.336 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.084 2.562 1.711 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.575 3.470 -2.029 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.876 -0.334 -3.150 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.006 0.850 -3.816 1.00 0.00 H new ATOM 0 H2 DA A 3 -1.927 -0.712 1.205 1.00 0.00 H new ATOM 94 P DT A 4 -6.495 6.247 3.132 1.00 0.00 P ATOM 95 OP1 DT A 4 -7.192 6.674 4.365 1.00 0.00 O ATOM 96 OP2 DT A 4 -6.232 7.215 2.044 1.00 0.00 O ATOM 97 O5' DT A 4 -5.120 5.542 3.545 1.00 0.00 O ATOM 98 C5' DT A 4 -5.150 4.469 4.461 1.00 0.00 C ATOM 99 C4' DT A 4 -3.799 3.768 4.477 1.00 0.00 C ATOM 100 O4' DT A 4 -3.500 3.269 3.187 1.00 0.00 O ATOM 101 C3' DT A 4 -2.690 4.740 4.872 1.00 0.00 C ATOM 102 O3' DT A 4 -2.103 4.310 6.079 1.00 0.00 O ATOM 103 C2' DT A 4 -1.730 4.624 3.701 1.00 0.00 C ATOM 104 C1' DT A 4 -2.098 3.295 3.085 1.00 0.00 C ATOM 105 N1 DT A 4 -1.655 3.312 1.688 1.00 0.00 N ATOM 106 C2 DT A 4 -0.715 2.377 1.292 1.00 0.00 C ATOM 107 O2 DT A 4 -0.276 1.519 2.052 1.00 0.00 O ATOM 108 N3 DT A 4 -0.299 2.463 -0.022 1.00 0.00 N ATOM 109 C4 DT A 4 -0.726 3.392 -0.949 1.00 0.00 C ATOM 110 O4 DT A 4 -0.256 3.391 -2.082 1.00 0.00 O ATOM 111 C5 DT A 4 -1.740 4.306 -0.455 1.00 0.00 C ATOM 112 C7 DT A 4 -2.395 5.294 -1.386 1.00 0.00 C ATOM 113 C6 DT A 4 -2.158 4.244 0.828 1.00 0.00 C ATOM 0 H5' DT A 4 -5.933 3.763 4.183 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.391 4.837 5.458 1.00 0.00 H new ATOM 0 H4' DT A 4 -3.854 2.955 5.201 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.015 5.766 5.047 1.00 0.00 H new ATOM 0 H2' DT A 4 -1.856 5.444 2.994 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.691 4.642 4.029 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.647 2.422 3.558 1.00 0.00 H new ATOM 0 H3 DT A 4 0.387 1.777 -0.336 1.00 0.00 H new ATOM 0 H71 DT A 4 -3.411 5.495 -1.047 1.00 0.00 H new ATOM 0 H72 DT A 4 -1.824 6.223 -1.391 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.424 4.880 -2.394 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.902 4.944 1.179 1.00 0.00 H new ATOM 126 P DC A 5 -0.934 5.152 6.800 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.309 5.366 8.214 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.565 6.302 5.944 1.00 0.00 O ATOM 129 O5' DC A 5 0.271 4.095 6.749 1.00 0.00 O ATOM 130 C5' DC A 5 0.107 2.833 7.357 1.00 0.00 C ATOM 131 C4' DC A 5 1.357 1.959 7.244 1.00 0.00 C ATOM 132 O4' DC A 5 1.635 1.618 5.894 1.00 0.00 O ATOM 133 C3' DC A 5 2.591 2.663 7.787 1.00 0.00 C ATOM 134 O3' DC A 5 3.433 1.650 8.300 1.00 0.00 O ATOM 135 C2' DC A 5 3.096 3.361 6.529 1.00 0.00 C ATOM 136 C1' DC A 5 2.693 2.422 5.398 1.00 0.00 C ATOM 137 N1 DC A 5 2.229 3.138 4.187 1.00 0.00 N ATOM 138 C2 DC A 5 2.438 2.514 2.969 1.00 0.00 C ATOM 139 O2 DC A 5 2.918 1.385 2.911 1.00 0.00 O ATOM 140 N3 DC A 5 2.202 3.214 1.823 1.00 0.00 N ATOM 141 C4 DC A 5 1.675 4.437 1.872 1.00 0.00 C ATOM 142 N4 DC A 5 1.487 5.069 0.718 1.00 0.00 N ATOM 143 C5 DC A 5 1.307 5.042 3.113 1.00 0.00 C ATOM 144 C6 DC A 5 1.624 4.364 4.242 1.00 0.00 C ATOM 0 H5' DC A 5 -0.735 2.318 6.895 1.00 0.00 H new ATOM 0 H5'' DC A 5 -0.142 2.970 8.409 1.00 0.00 H new ATOM 0 H4' DC A 5 1.143 1.065 7.829 1.00 0.00 H new ATOM 0 H3' DC A 5 2.476 3.380 8.600 1.00 0.00 H new ATOM 0 H2' DC A 5 2.644 4.346 6.410 1.00 0.00 H new ATOM 0 H2'' DC A 5 4.176 3.508 6.560 1.00 0.00 H new ATOM 0 H1' DC A 5 3.563 1.839 5.098 1.00 0.00 H new ATOM 0 H41 DC A 5 1.086 6.007 0.710 1.00 0.00 H new ATOM 0 H42 DC A 5 1.744 4.616 -0.159 1.00 0.00 H new ATOM 0 H5 DC A 5 0.800 5.995 3.149 1.00 0.00 H new ATOM 0 H6 DC A 5 1.395 4.799 5.204 1.00 0.00 H new ATOM 156 P DG A 6 5.020 1.827 8.486 1.00 0.00 P ATOM 157 OP1 DG A 6 5.432 1.115 9.716 1.00 0.00 O ATOM 158 OP2 DG A 6 5.374 3.252 8.297 1.00 0.00 O ATOM 159 O5' DG A 6 5.492 0.959 7.220 1.00 0.00 O ATOM 160 C5' DG A 6 6.855 0.717 6.939 1.00 0.00 C ATOM 161 C4' DG A 6 7.534 1.961 6.373 1.00 0.00 C ATOM 162 O4' DG A 6 6.606 2.856 5.806 1.00 0.00 O ATOM 163 C3' DG A 6 8.336 2.757 7.380 1.00 0.00 C ATOM 164 O3' DG A 6 9.706 2.452 7.267 1.00 0.00 O ATOM 165 C2' DG A 6 8.092 4.203 6.975 1.00 0.00 C ATOM 166 C1' DG A 6 7.327 4.052 5.673 1.00 0.00 C ATOM 167 N9 DG A 6 6.431 5.183 5.403 1.00 0.00 N ATOM 168 C8 DG A 6 5.127 5.305 5.780 1.00 0.00 C ATOM 169 N7 DG A 6 4.445 6.184 5.102 1.00 0.00 N ATOM 170 C5 DG A 6 5.393 6.718 4.231 1.00 0.00 C ATOM 171 C6 DG A 6 5.241 7.605 3.124 1.00 0.00 C ATOM 172 O6 DG A 6 4.205 8.094 2.674 1.00 0.00 O ATOM 173 N1 DG A 6 6.436 7.850 2.470 1.00 0.00 N ATOM 174 C2 DG A 6 7.651 7.333 2.848 1.00 0.00 C ATOM 175 N2 DG A 6 8.732 7.747 2.198 1.00 0.00 N ATOM 176 N3 DG A 6 7.795 6.433 3.825 1.00 0.00 N ATOM 177 C4 DG A 6 6.627 6.156 4.460 1.00 0.00 C ATOM 0 H5' DG A 6 6.941 -0.103 6.226 1.00 0.00 H new ATOM 0 H5'' DG A 6 7.366 0.403 7.849 1.00 0.00 H new ATOM 0 H4' DG A 6 8.212 1.552 5.624 1.00 0.00 H new ATOM 0 H3' DG A 6 8.048 2.545 8.410 1.00 0.00 H new ATOM 0 H2' DG A 6 7.514 4.743 7.725 1.00 0.00 H new ATOM 0 H2'' DG A 6 9.025 4.749 6.837 1.00 0.00 H new ATOM 0 HO3' DG A 6 10.213 2.975 7.923 1.00 0.00 H new ATOM 0 H1' DG A 6 8.011 4.033 4.825 1.00 0.00 H new ATOM 0 H8 DG A 6 4.693 4.720 6.577 1.00 0.00 H new ATOM 0 H1 DG A 6 6.413 8.457 1.650 1.00 0.00 H new ATOM 0 H21 DG A 6 9.651 7.384 2.453 1.00 0.00 H new ATOM 0 H22 DG A 6 8.644 8.428 1.444 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 8.212 5.370 -7.033 1.00 0.00 O ATOM 191 C5' DC B 1 7.816 5.997 -5.828 1.00 0.00 C ATOM 192 C4' DC B 1 8.993 6.564 -5.028 1.00 0.00 C ATOM 193 O4' DC B 1 8.463 7.434 -4.043 1.00 0.00 O ATOM 194 C3' DC B 1 9.712 5.451 -4.275 1.00 0.00 C ATOM 195 O3' DC B 1 10.968 5.905 -3.825 1.00 0.00 O ATOM 196 C2' DC B 1 8.752 5.302 -3.110 1.00 0.00 C ATOM 197 C1' DC B 1 8.487 6.772 -2.790 1.00 0.00 C ATOM 198 N1 DC B 1 7.195 6.951 -2.099 1.00 0.00 N ATOM 199 C2 DC B 1 7.159 7.708 -0.935 1.00 0.00 C ATOM 200 O2 DC B 1 8.172 8.244 -0.489 1.00 0.00 O ATOM 201 N3 DC B 1 5.981 7.811 -0.253 1.00 0.00 N ATOM 202 C4 DC B 1 4.874 7.225 -0.724 1.00 0.00 C ATOM 203 N4 DC B 1 3.793 7.183 0.046 1.00 0.00 N ATOM 204 C5 DC B 1 4.887 6.465 -1.930 1.00 0.00 C ATOM 205 C6 DC B 1 6.066 6.352 -2.578 1.00 0.00 C ATOM 0 H5' DC B 1 7.279 5.277 -5.211 1.00 0.00 H new ATOM 0 H5'' DC B 1 7.119 6.803 -6.057 1.00 0.00 H new ATOM 0 H4' DC B 1 9.680 7.063 -5.712 1.00 0.00 H new ATOM 0 H3' DC B 1 9.915 4.542 -4.840 1.00 0.00 H new ATOM 0 H2' DC B 1 7.844 4.766 -3.385 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.196 4.767 -2.271 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.421 5.027 -7.499 1.00 0.00 H new ATOM 0 H1' DC B 1 9.252 7.170 -2.124 1.00 0.00 H new ATOM 0 H41 DC B 1 2.940 6.740 -0.296 1.00 0.00 H new ATOM 0 H42 DC B 1 3.816 7.593 0.980 1.00 0.00 H new ATOM 0 H5 DC B 1 3.990 5.999 -2.310 1.00 0.00 H new ATOM 0 H6 DC B 1 6.117 5.778 -3.491 1.00 0.00 H new ATOM 218 P DG B 2 12.152 4.881 -3.438 1.00 0.00 P ATOM 219 OP1 DG B 2 12.884 5.454 -2.287 1.00 0.00 O ATOM 220 OP2 DG B 2 12.884 4.540 -4.677 1.00 0.00 O ATOM 221 O5' DG B 2 11.406 3.552 -2.931 1.00 0.00 O ATOM 222 C5' DG B 2 10.940 2.594 -3.858 1.00 0.00 C ATOM 223 C4' DG B 2 10.403 1.385 -3.099 1.00 0.00 C ATOM 224 O4' DG B 2 9.265 1.808 -2.370 1.00 0.00 O ATOM 225 C3' DG B 2 9.931 0.297 -4.064 1.00 0.00 C ATOM 226 O3' DG B 2 9.949 -0.944 -3.387 1.00 0.00 O ATOM 227 C2' DG B 2 8.505 0.754 -4.311 1.00 0.00 C ATOM 228 C1' DG B 2 8.135 1.139 -2.889 1.00 0.00 C ATOM 229 N9 DG B 2 6.951 2.006 -2.835 1.00 0.00 N ATOM 230 C8 DG B 2 6.498 2.930 -3.735 1.00 0.00 C ATOM 231 N7 DG B 2 5.424 3.566 -3.356 1.00 0.00 N ATOM 232 C5 DG B 2 5.142 3.016 -2.105 1.00 0.00 C ATOM 233 C6 DG B 2 4.096 3.286 -1.169 1.00 0.00 C ATOM 234 O6 DG B 2 3.183 4.111 -1.242 1.00 0.00 O ATOM 235 N1 DG B 2 4.174 2.474 -0.049 1.00 0.00 N ATOM 236 C2 DG B 2 5.167 1.551 0.187 1.00 0.00 C ATOM 237 N2 DG B 2 5.129 0.812 1.287 1.00 0.00 N ATOM 238 N3 DG B 2 6.149 1.299 -0.672 1.00 0.00 N ATOM 239 C4 DG B 2 6.077 2.062 -1.789 1.00 0.00 C ATOM 0 H5' DG B 2 11.748 2.291 -4.524 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.157 3.024 -4.482 1.00 0.00 H new ATOM 0 H4' DG B 2 11.193 0.990 -2.461 1.00 0.00 H new ATOM 0 H3' DG B 2 10.522 0.168 -4.970 1.00 0.00 H new ATOM 0 H2' DG B 2 8.445 1.593 -5.004 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.872 -0.037 -4.712 1.00 0.00 H new ATOM 0 H1' DG B 2 7.876 0.254 -2.308 1.00 0.00 H new ATOM 0 H8 DG B 2 6.988 3.117 -4.679 1.00 0.00 H new ATOM 0 H1 DG B 2 3.440 2.567 0.653 1.00 0.00 H new ATOM 0 H21 DG B 2 5.863 0.126 1.466 1.00 0.00 H new ATOM 0 H22 DG B 2 4.366 0.929 1.954 1.00 0.00 H new ATOM 251 P DA B 3 9.410 -2.306 -4.065 1.00 0.00 P ATOM 252 OP1 DA B 3 10.520 -3.284 -4.097 1.00 0.00 O ATOM 253 OP2 DA B 3 8.685 -1.967 -5.309 1.00 0.00 O ATOM 254 O5' DA B 3 8.329 -2.804 -2.984 1.00 0.00 O ATOM 255 C5' DA B 3 8.762 -3.249 -1.714 1.00 0.00 C ATOM 256 C4' DA B 3 7.583 -3.678 -0.839 1.00 0.00 C ATOM 257 O4' DA B 3 6.718 -2.574 -0.637 1.00 0.00 O ATOM 258 C3' DA B 3 6.780 -4.800 -1.484 1.00 0.00 C ATOM 259 O3' DA B 3 6.277 -5.629 -0.461 1.00 0.00 O ATOM 260 C2' DA B 3 5.648 -4.027 -2.126 1.00 0.00 C ATOM 261 C1' DA B 3 5.430 -2.924 -1.101 1.00 0.00 C ATOM 262 N9 DA B 3 4.788 -1.765 -1.738 1.00 0.00 N ATOM 263 C8 DA B 3 5.068 -1.189 -2.952 1.00 0.00 C ATOM 264 N7 DA B 3 4.261 -0.219 -3.282 1.00 0.00 N ATOM 265 C5 DA B 3 3.410 -0.130 -2.185 1.00 0.00 C ATOM 266 C6 DA B 3 2.327 0.709 -1.882 1.00 0.00 C ATOM 267 N6 DA B 3 1.914 1.640 -2.738 1.00 0.00 N ATOM 268 N1 DA B 3 1.744 0.616 -0.675 1.00 0.00 N ATOM 269 C2 DA B 3 2.194 -0.298 0.185 1.00 0.00 C ATOM 270 N3 DA B 3 3.165 -1.186 -0.003 1.00 0.00 N ATOM 271 C4 DA B 3 3.750 -1.037 -1.219 1.00 0.00 C ATOM 0 H5' DA B 3 9.314 -2.452 -1.217 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.450 -4.086 -1.835 1.00 0.00 H new ATOM 0 H4' DA B 3 7.990 -4.036 0.107 1.00 0.00 H new ATOM 0 H3' DA B 3 7.333 -5.432 -2.179 1.00 0.00 H new ATOM 0 H2' DA B 3 5.921 -3.632 -3.104 1.00 0.00 H new ATOM 0 H2'' DA B 3 4.758 -4.640 -2.267 1.00 0.00 H new ATOM 0 H1' DA B 3 4.783 -3.250 -0.286 1.00 0.00 H new ATOM 0 H8 DA B 3 5.886 -1.511 -3.580 1.00 0.00 H new ATOM 0 H61 DA B 3 1.124 2.239 -2.498 1.00 0.00 H new ATOM 0 H62 DA B 3 2.387 1.754 -3.634 1.00 0.00 H new ATOM 0 H2 DA B 3 1.711 -0.319 1.151 1.00 0.00 H new ATOM 283 P DT B 4 5.317 -6.878 -0.785 1.00 0.00 P ATOM 284 OP1 DT B 4 6.106 -7.880 -1.534 1.00 0.00 O ATOM 285 OP2 DT B 4 4.047 -6.371 -1.353 1.00 0.00 O ATOM 286 O5' DT B 4 5.041 -7.458 0.692 1.00 0.00 O ATOM 287 C5' DT B 4 4.879 -6.600 1.807 1.00 0.00 C ATOM 288 C4' DT B 4 3.502 -5.936 1.871 1.00 0.00 C ATOM 289 O4' DT B 4 3.355 -4.858 0.967 1.00 0.00 O ATOM 290 C3' DT B 4 2.383 -6.933 1.575 1.00 0.00 C ATOM 291 O3' DT B 4 1.632 -7.146 2.749 1.00 0.00 O ATOM 292 C2' DT B 4 1.574 -6.195 0.518 1.00 0.00 C ATOM 293 C1' DT B 4 1.963 -4.757 0.779 1.00 0.00 C ATOM 294 N1 DT B 4 1.587 -3.925 -0.373 1.00 0.00 N ATOM 295 C2 DT B 4 0.639 -2.937 -0.161 1.00 0.00 C ATOM 296 O2 DT B 4 0.141 -2.726 0.941 1.00 0.00 O ATOM 297 N3 DT B 4 0.277 -2.194 -1.267 1.00 0.00 N ATOM 298 C4 DT B 4 0.803 -2.329 -2.534 1.00 0.00 C ATOM 299 O4 DT B 4 0.451 -1.569 -3.431 1.00 0.00 O ATOM 300 C5 DT B 4 1.777 -3.395 -2.675 1.00 0.00 C ATOM 301 C7 DT B 4 2.418 -3.643 -4.020 1.00 0.00 C ATOM 302 C6 DT B 4 2.129 -4.151 -1.608 1.00 0.00 C ATOM 0 H5' DT B 4 5.646 -5.826 1.774 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.041 -7.171 2.721 1.00 0.00 H new ATOM 0 H4' DT B 4 3.428 -5.558 2.891 1.00 0.00 H new ATOM 0 H3' DT B 4 2.714 -7.917 1.244 1.00 0.00 H new ATOM 0 H2' DT B 4 1.835 -6.512 -0.492 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.503 -6.357 0.636 1.00 0.00 H new ATOM 0 H1' DT B 4 1.471 -4.285 1.630 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.442 -1.483 -1.135 1.00 0.00 H new ATOM 0 H71 DT B 4 1.723 -3.363 -4.812 1.00 0.00 H new ATOM 0 H72 DT B 4 3.326 -3.046 -4.106 1.00 0.00 H new ATOM 0 H73 DT B 4 2.668 -4.700 -4.114 1.00 0.00 H new ATOM 0 H6 DT B 4 2.850 -4.945 -1.734 1.00 0.00 H new ATOM 315 P DC B 5 0.551 -8.334 2.847 1.00 0.00 P ATOM 316 OP1 DC B 5 0.962 -9.261 3.923 1.00 0.00 O ATOM 317 OP2 DC B 5 0.279 -8.845 1.485 1.00 0.00 O ATOM 318 O5' DC B 5 -0.751 -7.531 3.334 1.00 0.00 O ATOM 319 C5' DC B 5 -0.749 -6.882 4.588 1.00 0.00 C ATOM 320 C4' DC B 5 -2.045 -6.105 4.843 1.00 0.00 C ATOM 321 O4' DC B 5 -2.165 -5.053 3.905 1.00 0.00 O ATOM 322 C3' DC B 5 -3.270 -6.998 4.687 1.00 0.00 C ATOM 323 O3' DC B 5 -4.348 -6.468 5.430 1.00 0.00 O ATOM 324 C2' DC B 5 -3.514 -6.865 3.192 1.00 0.00 C ATOM 325 C1' DC B 5 -3.093 -5.422 2.906 1.00 0.00 C ATOM 326 N1 DC B 5 -2.470 -5.256 1.572 1.00 0.00 N ATOM 327 C2 DC B 5 -2.649 -4.040 0.932 1.00 0.00 C ATOM 328 O2 DC B 5 -3.189 -3.094 1.501 1.00 0.00 O ATOM 329 N3 DC B 5 -2.319 -3.939 -0.386 1.00 0.00 N ATOM 330 C4 DC B 5 -1.738 -4.957 -1.020 1.00 0.00 C ATOM 331 N4 DC B 5 -1.453 -4.795 -2.308 1.00 0.00 N ATOM 332 C5 DC B 5 -1.406 -6.171 -0.343 1.00 0.00 C ATOM 333 C6 DC B 5 -1.803 -6.276 0.948 1.00 0.00 C ATOM 0 H5' DC B 5 0.098 -6.198 4.639 1.00 0.00 H new ATOM 0 H5'' DC B 5 -0.610 -7.621 5.377 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.998 -5.723 5.863 1.00 0.00 H new ATOM 0 H3' DC B 5 -3.153 -8.025 5.034 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.922 -7.580 2.621 1.00 0.00 H new ATOM 0 H2'' DC B 5 -4.559 -7.040 2.936 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.982 -4.791 2.913 1.00 0.00 H new ATOM 0 H41 DC B 5 -1.008 -5.549 -2.831 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.679 -3.916 -2.774 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.865 -6.965 -0.836 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.589 -7.182 1.496 1.00 0.00 H new ATOM 345 P DG B 6 -5.588 -7.403 5.860 1.00 0.00 P ATOM 346 OP1 DG B 6 -5.147 -8.206 7.021 1.00 0.00 O ATOM 347 OP2 DG B 6 -6.108 -8.099 4.664 1.00 0.00 O ATOM 348 O5' DG B 6 -6.697 -6.357 6.386 1.00 0.00 O ATOM 349 C5' DG B 6 -7.034 -5.176 5.678 1.00 0.00 C ATOM 350 C4' DG B 6 -7.854 -5.414 4.408 1.00 0.00 C ATOM 351 O4' DG B 6 -7.075 -5.865 3.324 1.00 0.00 O ATOM 352 C3' DG B 6 -8.976 -6.418 4.589 1.00 0.00 C ATOM 353 O3' DG B 6 -10.222 -5.767 4.497 1.00 0.00 O ATOM 354 C2' DG B 6 -8.810 -7.366 3.415 1.00 0.00 C ATOM 355 C1' DG B 6 -7.973 -6.538 2.466 1.00 0.00 C ATOM 356 N9 DG B 6 -7.216 -7.394 1.542 1.00 0.00 N ATOM 357 C8 DG B 6 -6.032 -8.007 1.817 1.00 0.00 C ATOM 358 N7 DG B 6 -5.358 -8.387 0.772 1.00 0.00 N ATOM 359 C5 DG B 6 -6.201 -8.051 -0.282 1.00 0.00 C ATOM 360 C6 DG B 6 -5.968 -8.094 -1.686 1.00 0.00 C ATOM 361 O6 DG B 6 -4.937 -8.399 -2.284 1.00 0.00 O ATOM 362 N1 DG B 6 -7.059 -7.662 -2.414 1.00 0.00 N ATOM 363 C2 DG B 6 -8.245 -7.245 -1.869 1.00 0.00 C ATOM 364 N2 DG B 6 -9.242 -6.990 -2.711 1.00 0.00 N ATOM 365 N3 DG B 6 -8.458 -7.111 -0.552 1.00 0.00 N ATOM 366 C4 DG B 6 -7.381 -7.512 0.183 1.00 0.00 C ATOM 0 H5' DG B 6 -6.116 -4.652 5.411 1.00 0.00 H new ATOM 0 H5'' DG B 6 -7.595 -4.517 6.340 1.00 0.00 H new ATOM 0 H4' DG B 6 -8.270 -4.429 4.194 1.00 0.00 H new ATOM 0 H3' DG B 6 -8.941 -6.922 5.555 1.00 0.00 H new ATOM 0 H2' DG B 6 -8.308 -8.290 3.703 1.00 0.00 H new ATOM 0 H2'' DG B 6 -9.768 -7.647 2.977 1.00 0.00 H new ATOM 0 HO3' DG B 6 -10.942 -6.421 4.613 1.00 0.00 H new ATOM 0 H1' DG B 6 -8.580 -5.874 1.850 1.00 0.00 H new ATOM 0 H8 DG B 6 -5.680 -8.165 2.826 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.976 -7.653 -3.431 1.00 0.00 H new ATOM 0 H21 DG B 6 -10.144 -6.677 -2.353 1.00 0.00 H new ATOM 0 H22 DG B 6 -9.104 -7.107 -3.715 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.325 2.467 2.649 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.313 3.056 1.853 1.00 0.00 C HETATM 381 N7 PPZ A 7 8.708 3.918 0.938 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.374 4.003 1.284 1.00 0.00 C HETATM 383 C13 PPZ A 7 6.331 4.826 0.836 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.121 4.840 1.541 1.00 0.00 C HETATM 385 C11 PPZ A 7 4.966 4.013 2.662 1.00 0.00 C HETATM 386 C10 PPZ A 7 5.987 3.131 3.045 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.179 3.164 2.357 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.636 2.712 2.167 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.677 3.497 1.709 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.860 1.762 3.089 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.818 1.223 3.719 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.527 1.523 3.604 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.540 4.754 0.988 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.553 5.685 1.707 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.169 6.414 2.747 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.654 6.304 3.573 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.120 6.379 0.986 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.732 5.096 2.115 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.512 5.240 0.905 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.193 4.561 -0.027 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.624 3.167 1.892 1.00 0.00 H new HETATM 0 H2 PPZ A 7 10.055 0.427 4.425 1.00 0.00 H new HETATM 0 H13 PPZ A 7 6.460 5.447 -0.050 1.00 0.00 H new HETATM 0 H12 PPZ A 7 4.306 5.489 1.220 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.044 4.056 3.241 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.840 2.434 3.870 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.276 -3.291 1.202 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.279 -3.088 0.249 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.723 -3.197 -1.026 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.456 -3.723 -0.862 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.515 -4.230 -1.773 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.395 -4.914 -1.283 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.231 -5.078 0.099 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.126 -4.478 0.998 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.235 -3.835 0.493 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.567 -2.874 0.762 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.680 -3.134 -0.015 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.713 -2.654 2.079 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.645 -2.762 2.867 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.403 -3.118 2.543 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.697 -3.738 -1.341 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.723 -4.920 -1.456 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.103 -6.047 -0.696 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.301 -6.521 -0.390 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.641 -5.211 -2.503 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.733 -4.595 -1.137 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.707 -4.079 -1.570 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.439 -2.984 -2.085 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.584 -2.876 0.381 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -9.809 -2.528 3.919 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.654 -4.093 -2.845 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.654 -5.317 -1.974 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.402 -5.676 0.478 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.948 -4.520 2.073 1.00 0.00 H new