USER MOD reduce.3.24.130724 H: found=0, std=0, add=182, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 182 hydrogens (0 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 DG O5' : rot 180:sc= 0 USER MOD Single : A 5 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 1 G O2' : rot -9:sc= 0.0412 USER MOD Single : B 1 G O5' : rot 26:sc= 0.0121 USER MOD Single : B 2 C O2' : rot -10:sc= 0.122 USER MOD Single : B 3 C O2' : rot 180:sc= -0.072 USER MOD Single : B 4 A O2' : rot 180:sc= 0 USER MOD Single : B 6 DT C7 :methyl -30:sc= 0 (180deg=-0.333) USER MOD Single : B 8 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.776 -11.910 -2.343 1.00 0.00 O ATOM 2 C5' DG A 1 -11.571 -10.515 -2.290 1.00 0.00 C ATOM 3 C4' DG A 1 -10.786 -10.168 -1.016 1.00 0.00 C ATOM 4 O4' DG A 1 -9.408 -10.404 -1.223 1.00 0.00 O ATOM 5 C3' DG A 1 -10.914 -8.707 -0.533 1.00 0.00 C ATOM 6 O3' DG A 1 -11.523 -8.729 0.753 1.00 0.00 O ATOM 7 C2' DG A 1 -9.466 -8.204 -0.493 1.00 0.00 C ATOM 8 C1' DG A 1 -8.714 -9.524 -0.365 1.00 0.00 C ATOM 9 N9 DG A 1 -7.282 -9.464 -0.733 1.00 0.00 N ATOM 10 C8 DG A 1 -6.711 -9.375 -1.979 1.00 0.00 C ATOM 11 N7 DG A 1 -5.410 -9.465 -1.977 1.00 0.00 N ATOM 12 C5 DG A 1 -5.088 -9.659 -0.637 1.00 0.00 C ATOM 13 C6 DG A 1 -3.821 -9.881 -0.012 1.00 0.00 C ATOM 14 O6 DG A 1 -2.711 -9.896 -0.537 1.00 0.00 O ATOM 15 N1 DG A 1 -3.935 -10.114 1.357 1.00 0.00 N ATOM 16 C2 DG A 1 -5.133 -10.123 2.049 1.00 0.00 C ATOM 17 N2 DG A 1 -5.086 -10.336 3.366 1.00 0.00 N ATOM 18 N3 DG A 1 -6.319 -9.904 1.465 1.00 0.00 N ATOM 19 C4 DG A 1 -6.231 -9.682 0.126 1.00 0.00 C ATOM 0 H5' DG A 1 -12.529 -9.994 -2.295 1.00 0.00 H new ATOM 0 H5'' DG A 1 -11.023 -10.182 -3.171 1.00 0.00 H new ATOM 0 H4' DG A 1 -11.226 -10.807 -0.250 1.00 0.00 H new ATOM 0 H3' DG A 1 -11.525 -8.060 -1.162 1.00 0.00 H new ATOM 0 H2' DG A 1 -9.192 -7.657 -1.395 1.00 0.00 H new ATOM 0 H2'' DG A 1 -9.282 -7.539 0.351 1.00 0.00 H new ATOM 0 HO5' DG A 1 -12.278 -12.136 -3.154 1.00 0.00 H new ATOM 0 H1' DG A 1 -8.695 -9.838 0.679 1.00 0.00 H new ATOM 0 H8 DG A 1 -7.289 -9.242 -2.882 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.079 -10.289 1.883 1.00 0.00 H new ATOM 0 H21 DG A 1 -5.948 -10.350 3.911 1.00 0.00 H new ATOM 0 H22 DG A 1 -4.188 -10.485 3.827 1.00 0.00 H new ATOM 32 P DC A 2 -11.806 -7.398 1.627 1.00 0.00 P ATOM 33 OP1 DC A 2 -12.960 -7.669 2.512 1.00 0.00 O ATOM 34 OP2 DC A 2 -11.843 -6.237 0.710 1.00 0.00 O ATOM 35 O5' DC A 2 -10.484 -7.269 2.548 1.00 0.00 O ATOM 36 C5' DC A 2 -10.223 -8.170 3.610 1.00 0.00 C ATOM 37 C4' DC A 2 -8.904 -7.807 4.304 1.00 0.00 C ATOM 38 O4' DC A 2 -7.817 -7.990 3.409 1.00 0.00 O ATOM 39 C3' DC A 2 -8.874 -6.351 4.793 1.00 0.00 C ATOM 40 O3' DC A 2 -8.407 -6.362 6.136 1.00 0.00 O ATOM 41 C2' DC A 2 -7.885 -5.745 3.801 1.00 0.00 C ATOM 42 C1' DC A 2 -6.925 -6.924 3.638 1.00 0.00 C ATOM 43 N1 DC A 2 -5.948 -6.774 2.524 1.00 0.00 N ATOM 44 C2 DC A 2 -4.597 -7.054 2.753 1.00 0.00 C ATOM 45 O2 DC A 2 -4.184 -7.400 3.857 1.00 0.00 O ATOM 46 N3 DC A 2 -3.724 -6.945 1.712 1.00 0.00 N ATOM 47 C4 DC A 2 -4.138 -6.588 0.489 1.00 0.00 C ATOM 48 N4 DC A 2 -3.237 -6.524 -0.496 1.00 0.00 N ATOM 49 C5 DC A 2 -5.525 -6.329 0.221 1.00 0.00 C ATOM 50 C6 DC A 2 -6.379 -6.439 1.266 1.00 0.00 C ATOM 0 H5' DC A 2 -10.172 -9.189 3.227 1.00 0.00 H new ATOM 0 H5'' DC A 2 -11.041 -8.141 4.330 1.00 0.00 H new ATOM 0 H4' DC A 2 -8.819 -8.465 5.168 1.00 0.00 H new ATOM 0 H3' DC A 2 -9.815 -5.802 4.816 1.00 0.00 H new ATOM 0 H2' DC A 2 -8.358 -5.459 2.862 1.00 0.00 H new ATOM 0 H2'' DC A 2 -7.392 -4.856 4.193 1.00 0.00 H new ATOM 0 H1' DC A 2 -6.274 -7.048 4.503 1.00 0.00 H new ATOM 0 H41 DC A 2 -3.527 -6.255 -1.436 1.00 0.00 H new ATOM 0 H42 DC A 2 -2.259 -6.744 -0.308 1.00 0.00 H new ATOM 0 H5 DC A 2 -5.870 -6.060 -0.766 1.00 0.00 H new ATOM 0 H6 DC A 2 -7.431 -6.257 1.104 1.00 0.00 H new ATOM 62 P DA A 3 -8.234 -5.039 7.046 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.014 -5.229 8.288 1.00 0.00 O ATOM 64 OP2 DA A 3 -8.464 -3.840 6.209 1.00 0.00 O ATOM 65 O5' DA A 3 -6.663 -5.098 7.417 1.00 0.00 O ATOM 66 C5' DA A 3 -6.139 -6.108 8.264 1.00 0.00 C ATOM 67 C4' DA A 3 -4.634 -5.906 8.485 1.00 0.00 C ATOM 68 O4' DA A 3 -3.960 -6.003 7.245 1.00 0.00 O ATOM 69 C3' DA A 3 -4.316 -4.538 9.096 1.00 0.00 C ATOM 70 O3' DA A 3 -3.288 -4.702 10.064 1.00 0.00 O ATOM 71 C2' DA A 3 -3.864 -3.753 7.873 1.00 0.00 C ATOM 72 C1' DA A 3 -3.155 -4.855 7.088 1.00 0.00 C ATOM 73 N9 DA A 3 -3.042 -4.567 5.645 1.00 0.00 N ATOM 74 C8 DA A 3 -4.063 -4.347 4.762 1.00 0.00 C ATOM 75 N7 DA A 3 -3.688 -4.236 3.518 1.00 0.00 N ATOM 76 C5 DA A 3 -2.313 -4.433 3.577 1.00 0.00 C ATOM 77 C6 DA A 3 -1.307 -4.493 2.590 1.00 0.00 C ATOM 78 N6 DA A 3 -1.552 -4.350 1.284 1.00 0.00 N ATOM 79 N1 DA A 3 -0.039 -4.721 2.983 1.00 0.00 N ATOM 80 C2 DA A 3 0.221 -4.884 4.278 1.00 0.00 C ATOM 81 N3 DA A 3 -0.633 -4.868 5.297 1.00 0.00 N ATOM 82 C4 DA A 3 -1.906 -4.635 4.873 1.00 0.00 C ATOM 0 H5' DA A 3 -6.318 -7.088 7.823 1.00 0.00 H new ATOM 0 H5'' DA A 3 -6.658 -6.090 9.223 1.00 0.00 H new ATOM 0 H4' DA A 3 -4.303 -6.679 9.178 1.00 0.00 H new ATOM 0 H3' DA A 3 -5.133 -4.043 9.620 1.00 0.00 H new ATOM 0 H2' DA A 3 -4.701 -3.323 7.322 1.00 0.00 H new ATOM 0 H2'' DA A 3 -3.196 -2.931 8.130 1.00 0.00 H new ATOM 0 H1' DA A 3 -2.137 -4.964 7.463 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.095 -4.271 5.070 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.786 -4.402 0.613 1.00 0.00 H new ATOM 0 H62 DA A 3 -2.505 -4.189 0.959 1.00 0.00 H new ATOM 0 H2 DA A 3 1.257 -5.050 4.534 1.00 0.00 H new ATOM 94 P DG A 4 -2.658 -3.467 10.896 1.00 0.00 P ATOM 95 OP1 DG A 4 -2.189 -3.987 12.200 1.00 0.00 O ATOM 96 OP2 DG A 4 -3.614 -2.338 10.858 1.00 0.00 O ATOM 97 O5' DG A 4 -1.364 -3.063 10.018 1.00 0.00 O ATOM 98 C5' DG A 4 -0.193 -3.859 10.024 1.00 0.00 C ATOM 99 C4' DG A 4 0.893 -3.255 9.128 1.00 0.00 C ATOM 100 O4' DG A 4 0.484 -3.293 7.775 1.00 0.00 O ATOM 101 C3' DG A 4 1.222 -1.791 9.464 1.00 0.00 C ATOM 102 O3' DG A 4 2.527 -1.716 10.026 1.00 0.00 O ATOM 103 C2' DG A 4 1.127 -1.104 8.106 1.00 0.00 C ATOM 104 C1' DG A 4 1.176 -2.255 7.121 1.00 0.00 C ATOM 105 N9 DG A 4 0.526 -1.908 5.846 1.00 0.00 N ATOM 106 C8 DG A 4 -0.805 -1.707 5.614 1.00 0.00 C ATOM 107 N7 DG A 4 -1.107 -1.528 4.358 1.00 0.00 N ATOM 108 C5 DG A 4 0.121 -1.614 3.707 1.00 0.00 C ATOM 109 C6 DG A 4 0.436 -1.561 2.314 1.00 0.00 C ATOM 110 O6 DG A 4 -0.334 -1.405 1.369 1.00 0.00 O ATOM 111 N1 DG A 4 1.800 -1.711 2.072 1.00 0.00 N ATOM 112 C2 DG A 4 2.754 -1.890 3.058 1.00 0.00 C ATOM 113 N2 DG A 4 4.032 -1.978 2.679 1.00 0.00 N ATOM 114 N3 DG A 4 2.457 -1.961 4.362 1.00 0.00 N ATOM 115 C4 DG A 4 1.130 -1.822 4.617 1.00 0.00 C ATOM 0 H5' DG A 4 -0.433 -4.865 9.681 1.00 0.00 H new ATOM 0 H5'' DG A 4 0.182 -3.951 11.043 1.00 0.00 H new ATOM 0 H4' DG A 4 1.784 -3.858 9.302 1.00 0.00 H new ATOM 0 H3' DG A 4 0.563 -1.329 10.199 1.00 0.00 H new ATOM 0 H2' DG A 4 0.204 -0.532 8.009 1.00 0.00 H new ATOM 0 H2'' DG A 4 1.951 -0.408 7.950 1.00 0.00 H new ATOM 0 H1' DG A 4 2.198 -2.528 6.858 1.00 0.00 H new ATOM 0 H8 DG A 4 -1.543 -1.697 6.402 1.00 0.00 H new ATOM 0 H1 DG A 4 2.117 -1.687 1.103 1.00 0.00 H new ATOM 0 H21 DG A 4 4.763 -2.110 3.378 1.00 0.00 H new ATOM 0 H22 DG A 4 4.276 -1.913 1.691 1.00 0.00 H new ATOM 127 P DT A 5 3.206 -0.328 10.523 1.00 0.00 P ATOM 128 OP1 DT A 5 4.360 -0.672 11.382 1.00 0.00 O ATOM 129 OP2 DT A 5 2.137 0.547 11.051 1.00 0.00 O ATOM 130 O5' DT A 5 3.780 0.346 9.168 1.00 0.00 O ATOM 131 C5' DT A 5 4.855 -0.227 8.445 1.00 0.00 C ATOM 132 C4' DT A 5 5.105 0.510 7.120 1.00 0.00 C ATOM 133 O4' DT A 5 4.039 0.318 6.206 1.00 0.00 O ATOM 134 C3' DT A 5 5.264 2.030 7.291 1.00 0.00 C ATOM 135 O3' DT A 5 6.602 2.387 6.963 1.00 0.00 O ATOM 136 C2' DT A 5 4.232 2.611 6.329 1.00 0.00 C ATOM 137 C1' DT A 5 4.016 1.454 5.363 1.00 0.00 C ATOM 138 N1 DT A 5 2.737 1.528 4.607 1.00 0.00 N ATOM 139 C2 DT A 5 2.766 1.443 3.213 1.00 0.00 C ATOM 140 O2 DT A 5 3.801 1.362 2.556 1.00 0.00 O ATOM 141 N3 DT A 5 1.536 1.451 2.572 1.00 0.00 N ATOM 142 C4 DT A 5 0.296 1.558 3.183 1.00 0.00 C ATOM 143 O4 DT A 5 -0.725 1.551 2.499 1.00 0.00 O ATOM 144 C5 DT A 5 0.350 1.639 4.632 1.00 0.00 C ATOM 145 C7 DT A 5 -0.935 1.760 5.429 1.00 0.00 C ATOM 146 C6 DT A 5 1.542 1.614 5.281 1.00 0.00 C ATOM 0 H5' DT A 5 4.639 -1.276 8.243 1.00 0.00 H new ATOM 0 H5'' DT A 5 5.759 -0.199 9.053 1.00 0.00 H new ATOM 0 H4' DT A 5 6.034 0.082 6.744 1.00 0.00 H new ATOM 0 H3' DT A 5 5.097 2.401 8.302 1.00 0.00 H new ATOM 0 H2' DT A 5 3.312 2.894 6.840 1.00 0.00 H new ATOM 0 H2'' DT A 5 4.602 3.502 5.822 1.00 0.00 H new ATOM 0 H1' DT A 5 4.776 1.447 4.581 1.00 0.00 H new ATOM 0 H3 DT A 5 1.545 1.371 1.555 1.00 0.00 H new ATOM 0 H71 DT A 5 -0.803 1.294 6.405 1.00 0.00 H new ATOM 0 H72 DT A 5 -1.184 2.813 5.561 1.00 0.00 H new ATOM 0 H73 DT A 5 -1.743 1.260 4.895 1.00 0.00 H new ATOM 0 H6 DT A 5 1.552 1.663 6.360 1.00 0.00 H new ATOM 159 P DG A 6 7.147 3.911 7.001 1.00 0.00 P ATOM 160 OP1 DG A 6 8.614 3.865 7.195 1.00 0.00 O ATOM 161 OP2 DG A 6 6.309 4.682 7.945 1.00 0.00 O ATOM 162 O5' DG A 6 6.854 4.458 5.508 1.00 0.00 O ATOM 163 C5' DG A 6 7.647 4.069 4.400 1.00 0.00 C ATOM 164 C4' DG A 6 7.142 4.733 3.112 1.00 0.00 C ATOM 165 O4' DG A 6 5.867 4.234 2.759 1.00 0.00 O ATOM 166 C3' DG A 6 7.027 6.259 3.229 1.00 0.00 C ATOM 167 O3' DG A 6 7.913 6.831 2.273 1.00 0.00 O ATOM 168 C2' DG A 6 5.553 6.516 2.933 1.00 0.00 C ATOM 169 C1' DG A 6 5.171 5.286 2.129 1.00 0.00 C ATOM 170 N9 DG A 6 3.728 5.003 2.145 1.00 0.00 N ATOM 171 C8 DG A 6 2.917 4.819 3.228 1.00 0.00 C ATOM 172 N7 DG A 6 1.681 4.532 2.927 1.00 0.00 N ATOM 173 C5 DG A 6 1.676 4.516 1.534 1.00 0.00 C ATOM 174 C6 DG A 6 0.611 4.283 0.613 1.00 0.00 C ATOM 175 O6 DG A 6 -0.554 3.986 0.863 1.00 0.00 O ATOM 176 N1 DG A 6 1.009 4.439 -0.715 1.00 0.00 N ATOM 177 C2 DG A 6 2.295 4.755 -1.111 1.00 0.00 C ATOM 178 N2 DG A 6 2.516 4.915 -2.418 1.00 0.00 N ATOM 179 N3 DG A 6 3.305 4.934 -0.251 1.00 0.00 N ATOM 180 C4 DG A 6 2.928 4.809 1.049 1.00 0.00 C ATOM 0 H5' DG A 6 7.621 2.985 4.291 1.00 0.00 H new ATOM 0 H5'' DG A 6 8.686 4.347 4.575 1.00 0.00 H new ATOM 0 H4' DG A 6 7.883 4.494 2.350 1.00 0.00 H new ATOM 0 H3' DG A 6 7.302 6.692 4.191 1.00 0.00 H new ATOM 0 H2' DG A 6 4.964 6.606 3.846 1.00 0.00 H new ATOM 0 H2'' DG A 6 5.405 7.435 2.366 1.00 0.00 H new ATOM 0 H1' DG A 6 5.422 5.423 1.077 1.00 0.00 H new ATOM 0 H8 DG A 6 3.269 4.904 4.246 1.00 0.00 H new ATOM 0 H1 DG A 6 0.305 4.311 -1.442 1.00 0.00 H new ATOM 0 H21 DG A 6 3.451 5.149 -2.752 1.00 0.00 H new ATOM 0 H22 DG A 6 1.750 4.804 -3.082 1.00 0.00 H new ATOM 192 P DG A 7 7.985 8.413 1.947 1.00 0.00 P ATOM 193 OP1 DG A 7 9.333 8.709 1.414 1.00 0.00 O ATOM 194 OP2 DG A 7 7.481 9.156 3.123 1.00 0.00 O ATOM 195 O5' DG A 7 6.918 8.585 0.743 1.00 0.00 O ATOM 196 C5' DG A 7 7.170 8.085 -0.559 1.00 0.00 C ATOM 197 C4' DG A 7 6.017 8.452 -1.502 1.00 0.00 C ATOM 198 O4' DG A 7 4.834 7.760 -1.133 1.00 0.00 O ATOM 199 C3' DG A 7 5.715 9.958 -1.483 1.00 0.00 C ATOM 200 O3' DG A 7 5.780 10.466 -2.811 1.00 0.00 O ATOM 201 C2' DG A 7 4.295 9.970 -0.926 1.00 0.00 C ATOM 202 C1' DG A 7 3.754 8.627 -1.398 1.00 0.00 C ATOM 203 N9 DG A 7 2.526 8.192 -0.695 1.00 0.00 N ATOM 204 C8 DG A 7 2.358 7.953 0.642 1.00 0.00 C ATOM 205 N7 DG A 7 1.165 7.553 0.977 1.00 0.00 N ATOM 206 C5 DG A 7 0.481 7.515 -0.231 1.00 0.00 C ATOM 207 C6 DG A 7 -0.876 7.168 -0.500 1.00 0.00 C ATOM 208 O6 DG A 7 -1.719 6.755 0.291 1.00 0.00 O ATOM 209 N1 DG A 7 -1.223 7.369 -1.832 1.00 0.00 N ATOM 210 C2 DG A 7 -0.340 7.783 -2.811 1.00 0.00 C ATOM 211 N2 DG A 7 -0.843 7.995 -4.031 1.00 0.00 N ATOM 212 N3 DG A 7 0.956 8.047 -2.572 1.00 0.00 N ATOM 213 C4 DG A 7 1.301 7.912 -1.262 1.00 0.00 C ATOM 0 H5' DG A 7 7.289 7.002 -0.523 1.00 0.00 H new ATOM 0 H5'' DG A 7 8.105 8.496 -0.939 1.00 0.00 H new ATOM 0 H4' DG A 7 6.332 8.165 -2.505 1.00 0.00 H new ATOM 0 H3' DG A 7 6.403 10.573 -0.903 1.00 0.00 H new ATOM 0 H2' DG A 7 4.284 10.054 0.161 1.00 0.00 H new ATOM 0 H2'' DG A 7 3.712 10.804 -1.316 1.00 0.00 H new ATOM 0 H1' DG A 7 3.441 8.656 -2.442 1.00 0.00 H new ATOM 0 H8 DG A 7 3.152 8.086 1.362 1.00 0.00 H new ATOM 0 H1 DG A 7 -2.192 7.200 -2.104 1.00 0.00 H new ATOM 0 H21 DG A 7 -0.232 8.302 -4.788 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.838 7.850 -4.205 1.00 0.00 H new ATOM 225 P DC A 8 5.453 12.010 -3.185 1.00 0.00 P ATOM 226 OP1 DC A 8 6.174 12.340 -4.435 1.00 0.00 O ATOM 227 OP2 DC A 8 5.664 12.839 -1.978 1.00 0.00 O ATOM 228 O5' DC A 8 3.865 11.997 -3.510 1.00 0.00 O ATOM 229 C5' DC A 8 3.365 11.447 -4.715 1.00 0.00 C ATOM 230 C4' DC A 8 1.837 11.557 -4.811 1.00 0.00 C ATOM 231 O4' DC A 8 1.184 10.808 -3.796 1.00 0.00 O ATOM 232 C3' DC A 8 1.315 12.995 -4.670 1.00 0.00 C ATOM 233 O3' DC A 8 0.845 13.480 -5.911 1.00 0.00 O ATOM 234 C2' DC A 8 0.160 12.877 -3.669 1.00 0.00 C ATOM 235 C1' DC A 8 -0.104 11.374 -3.624 1.00 0.00 C ATOM 236 N1 DC A 8 -0.765 10.968 -2.348 1.00 0.00 N ATOM 237 C2 DC A 8 -2.142 10.732 -2.340 1.00 0.00 C ATOM 238 O2 DC A 8 -2.813 10.875 -3.358 1.00 0.00 O ATOM 239 N3 DC A 8 -2.734 10.339 -1.173 1.00 0.00 N ATOM 240 C4 DC A 8 -2.017 10.179 -0.050 1.00 0.00 C ATOM 241 N4 DC A 8 -2.642 9.755 1.053 1.00 0.00 N ATOM 242 C5 DC A 8 -0.601 10.428 -0.030 1.00 0.00 C ATOM 243 C6 DC A 8 -0.035 10.819 -1.196 1.00 0.00 C ATOM 0 H5' DC A 8 3.657 10.399 -4.783 1.00 0.00 H new ATOM 0 H5'' DC A 8 3.819 11.960 -5.563 1.00 0.00 H new ATOM 0 H4' DC A 8 1.613 11.171 -5.805 1.00 0.00 H new ATOM 0 H3' DC A 8 2.088 13.689 -4.341 1.00 0.00 H new ATOM 0 H2' DC A 8 0.434 13.268 -2.689 1.00 0.00 H new ATOM 0 H2'' DC A 8 -0.718 13.431 -3.999 1.00 0.00 H new ATOM 0 HO3' DC A 8 0.515 14.396 -5.800 1.00 0.00 H new ATOM 0 H1' DC A 8 -0.800 11.033 -4.390 1.00 0.00 H new ATOM 0 H41 DC A 8 -2.118 9.626 1.918 1.00 0.00 H new ATOM 0 H42 DC A 8 -3.643 9.561 1.029 1.00 0.00 H new ATOM 0 H5 DC A 8 -0.018 10.309 0.871 1.00 0.00 H new ATOM 0 H6 DC A 8 1.026 11.020 -1.220 1.00 0.00 H new TER 256 DC A 8 ATOM 257 O5' G B 1 -13.821 7.648 -0.747 1.00 0.00 O ATOM 258 C5' G B 1 -14.089 8.469 -1.864 1.00 0.00 C ATOM 259 C4' G B 1 -12.789 8.912 -2.542 1.00 0.00 C ATOM 260 O4' G B 1 -11.929 9.571 -1.619 1.00 0.00 O ATOM 261 C3' G B 1 -11.951 7.746 -3.063 1.00 0.00 C ATOM 262 O3' G B 1 -12.389 7.180 -4.288 1.00 0.00 O ATOM 263 C2' G B 1 -10.613 8.442 -3.223 1.00 0.00 C ATOM 264 O2' G B 1 -10.523 9.113 -4.464 1.00 0.00 O ATOM 265 C1' G B 1 -10.598 9.492 -2.116 1.00 0.00 C ATOM 266 N9 G B 1 -9.592 9.253 -1.063 1.00 0.00 N ATOM 267 C8 G B 1 -9.742 8.745 0.197 1.00 0.00 C ATOM 268 N7 G B 1 -8.652 8.773 0.917 1.00 0.00 N ATOM 269 C5 G B 1 -7.704 9.348 0.072 1.00 0.00 C ATOM 270 C6 G B 1 -6.310 9.610 0.268 1.00 0.00 C ATOM 271 O6 G B 1 -5.626 9.395 1.266 1.00 0.00 O ATOM 272 N1 G B 1 -5.707 10.159 -0.864 1.00 0.00 N ATOM 273 C2 G B 1 -6.375 10.449 -2.040 1.00 0.00 C ATOM 274 N2 G B 1 -5.665 10.958 -3.049 1.00 0.00 N ATOM 275 N3 G B 1 -7.680 10.208 -2.223 1.00 0.00 N ATOM 276 C4 G B 1 -8.280 9.652 -1.138 1.00 0.00 C ATOM 0 H5' G B 1 -14.656 9.345 -1.549 1.00 0.00 H new ATOM 0 H5'' G B 1 -14.710 7.927 -2.578 1.00 0.00 H new ATOM 0 H4' G B 1 -13.120 9.554 -3.358 1.00 0.00 H new ATOM 0 H3' G B 1 -11.977 6.880 -2.402 1.00 0.00 H new ATOM 0 H2' G B 1 -9.792 7.727 -3.175 1.00 0.00 H new ATOM 0 HO2' G B 1 -11.292 8.873 -5.022 1.00 0.00 H new ATOM 0 HO5' G B 1 -12.930 7.855 -0.395 1.00 0.00 H new ATOM 0 H1' G B 1 -10.280 10.452 -2.523 1.00 0.00 H new ATOM 0 H8 G B 1 -10.679 8.355 0.565 1.00 0.00 H new ATOM 0 H1 G B 1 -4.708 10.360 -0.822 1.00 0.00 H new ATOM 0 H21 G B 1 -6.123 11.184 -3.932 1.00 0.00 H new ATOM 0 H22 G B 1 -4.664 11.121 -2.937 1.00 0.00 H new ATOM 289 P C B 2 -11.720 5.822 -4.874 1.00 0.00 P ATOM 290 OP1 C B 2 -12.322 5.561 -6.200 1.00 0.00 O ATOM 291 OP2 C B 2 -11.818 4.792 -3.817 1.00 0.00 O ATOM 292 O5' C B 2 -10.145 6.149 -5.090 1.00 0.00 O ATOM 293 C5' C B 2 -9.652 6.758 -6.271 1.00 0.00 C ATOM 294 C4' C B 2 -8.148 7.067 -6.169 1.00 0.00 C ATOM 295 O4' C B 2 -7.792 7.790 -4.984 1.00 0.00 O ATOM 296 C3' C B 2 -7.301 5.801 -6.092 1.00 0.00 C ATOM 297 O3' C B 2 -7.102 5.129 -7.330 1.00 0.00 O ATOM 298 C2' C B 2 -6.007 6.385 -5.548 1.00 0.00 C ATOM 299 O2' C B 2 -5.170 6.854 -6.588 1.00 0.00 O ATOM 300 C1' C B 2 -6.393 7.613 -4.735 1.00 0.00 C ATOM 301 N1 C B 2 -5.981 7.438 -3.310 1.00 0.00 N ATOM 302 C2 C B 2 -4.614 7.505 -3.012 1.00 0.00 C ATOM 303 O2 C B 2 -3.793 7.884 -3.846 1.00 0.00 O ATOM 304 N3 C B 2 -4.193 7.124 -1.773 1.00 0.00 N ATOM 305 C4 C B 2 -5.064 6.702 -0.846 1.00 0.00 C ATOM 306 N4 C B 2 -4.600 6.334 0.351 1.00 0.00 N ATOM 307 C5 C B 2 -6.476 6.704 -1.100 1.00 0.00 C ATOM 308 C6 C B 2 -6.879 7.089 -2.334 1.00 0.00 C ATOM 0 H5' C B 2 -10.201 7.681 -6.461 1.00 0.00 H new ATOM 0 H5'' C B 2 -9.831 6.100 -7.121 1.00 0.00 H new ATOM 0 H4' C B 2 -7.955 7.651 -7.069 1.00 0.00 H new ATOM 0 H3' C B 2 -7.763 5.014 -5.495 1.00 0.00 H new ATOM 0 H2' C B 2 -5.484 5.617 -4.979 1.00 0.00 H new ATOM 0 HO2' C B 2 -5.524 6.556 -7.452 1.00 0.00 H new ATOM 0 H1' C B 2 -5.879 8.532 -5.018 1.00 0.00 H new ATOM 0 H41 C B 2 -5.246 6.010 1.071 1.00 0.00 H new ATOM 0 H42 C B 2 -3.600 6.377 0.545 1.00 0.00 H new ATOM 0 H5 C B 2 -7.186 6.411 -0.341 1.00 0.00 H new ATOM 0 H6 C B 2 -7.936 7.122 -2.556 1.00 0.00 H new ATOM 320 P C B 3 -6.304 3.713 -7.425 1.00 0.00 P ATOM 321 OP1 C B 3 -6.645 3.097 -8.726 1.00 0.00 O ATOM 322 OP2 C B 3 -6.565 2.964 -6.176 1.00 0.00 O ATOM 323 O5' C B 3 -4.720 4.077 -7.449 1.00 0.00 O ATOM 324 C5' C B 3 -4.075 4.540 -8.626 1.00 0.00 C ATOM 325 C4' C B 3 -2.587 4.862 -8.396 1.00 0.00 C ATOM 326 O4' C B 3 -2.376 5.834 -7.371 1.00 0.00 O ATOM 327 C3' C B 3 -1.768 3.639 -7.988 1.00 0.00 C ATOM 328 O3' C B 3 -1.389 2.831 -9.090 1.00 0.00 O ATOM 329 C2' C B 3 -0.577 4.336 -7.350 1.00 0.00 C ATOM 330 O2' C B 3 0.311 4.854 -8.320 1.00 0.00 O ATOM 331 C1' C B 3 -1.214 5.503 -6.603 1.00 0.00 C ATOM 332 N1 C B 3 -1.538 5.150 -5.188 1.00 0.00 N ATOM 333 C2 C B 3 -0.487 4.865 -4.313 1.00 0.00 C ATOM 334 O2 C B 3 0.681 5.022 -4.661 1.00 0.00 O ATOM 335 N3 C B 3 -0.779 4.420 -3.056 1.00 0.00 N ATOM 336 C4 C B 3 -2.050 4.256 -2.659 1.00 0.00 C ATOM 337 N4 C B 3 -2.298 3.818 -1.421 1.00 0.00 N ATOM 338 C5 C B 3 -3.144 4.616 -3.513 1.00 0.00 C ATOM 339 C6 C B 3 -2.833 5.060 -4.752 1.00 0.00 C ATOM 0 H5' C B 3 -4.585 5.433 -8.988 1.00 0.00 H new ATOM 0 H5'' C B 3 -4.163 3.784 -9.406 1.00 0.00 H new ATOM 0 H4' C B 3 -2.260 5.243 -9.363 1.00 0.00 H new ATOM 0 H3' C B 3 -2.296 2.932 -7.348 1.00 0.00 H new ATOM 0 H2' C B 3 0.002 3.655 -6.727 1.00 0.00 H new ATOM 0 HO2' C B 3 1.063 5.295 -7.873 1.00 0.00 H new ATOM 0 H1' C B 3 -0.539 6.354 -6.516 1.00 0.00 H new ATOM 0 H41 C B 3 -3.260 3.690 -1.109 1.00 0.00 H new ATOM 0 H42 C B 3 -1.525 3.612 -0.789 1.00 0.00 H new ATOM 0 H5 C B 3 -4.169 4.536 -3.182 1.00 0.00 H new ATOM 0 H6 C B 3 -3.631 5.353 -5.418 1.00 0.00 H new ATOM 351 P A B 4 -0.788 1.341 -8.894 1.00 0.00 P ATOM 352 OP1 A B 4 -0.433 0.818 -10.232 1.00 0.00 O ATOM 353 OP2 A B 4 -1.735 0.584 -8.045 1.00 0.00 O ATOM 354 O5' A B 4 0.576 1.529 -8.051 1.00 0.00 O ATOM 355 C5' A B 4 1.781 1.982 -8.641 1.00 0.00 C ATOM 356 C4' A B 4 2.846 2.181 -7.554 1.00 0.00 C ATOM 357 O4' A B 4 2.347 2.924 -6.446 1.00 0.00 O ATOM 358 C3' A B 4 3.348 0.848 -7.010 1.00 0.00 C ATOM 359 O3' A B 4 4.368 0.313 -7.841 1.00 0.00 O ATOM 360 C2' A B 4 3.846 1.304 -5.647 1.00 0.00 C ATOM 361 O2' A B 4 5.162 1.805 -5.692 1.00 0.00 O ATOM 362 C1' A B 4 2.868 2.389 -5.236 1.00 0.00 C ATOM 363 N9 A B 4 1.789 1.912 -4.333 1.00 0.00 N ATOM 364 C8 A B 4 0.454 1.707 -4.587 1.00 0.00 C ATOM 365 N7 A B 4 -0.256 1.415 -3.531 1.00 0.00 N ATOM 366 C5 A B 4 0.671 1.424 -2.496 1.00 0.00 C ATOM 367 C6 A B 4 0.563 1.235 -1.101 1.00 0.00 C ATOM 368 N6 A B 4 -0.601 1.013 -0.481 1.00 0.00 N ATOM 369 N1 A B 4 1.681 1.312 -0.355 1.00 0.00 N ATOM 370 C2 A B 4 2.842 1.569 -0.952 1.00 0.00 C ATOM 371 N3 A B 4 3.074 1.778 -2.246 1.00 0.00 N ATOM 372 C4 A B 4 1.927 1.697 -2.979 1.00 0.00 C ATOM 0 H5' A B 4 1.608 2.919 -9.170 1.00 0.00 H new ATOM 0 H5'' A B 4 2.131 1.259 -9.378 1.00 0.00 H new ATOM 0 H4' A B 4 3.656 2.727 -8.037 1.00 0.00 H new ATOM 0 H3' A B 4 2.620 0.038 -6.963 1.00 0.00 H new ATOM 0 H2' A B 4 3.887 0.475 -4.940 1.00 0.00 H new ATOM 0 HO2' A B 4 5.436 2.086 -4.794 1.00 0.00 H new ATOM 0 H1' A B 4 3.383 3.147 -4.646 1.00 0.00 H new ATOM 0 H8 A B 4 0.028 1.781 -5.577 1.00 0.00 H new ATOM 0 H61 A B 4 -0.623 0.883 0.530 1.00 0.00 H new ATOM 0 H62 A B 4 -1.466 0.974 -1.020 1.00 0.00 H new ATOM 0 H2 A B 4 3.705 1.614 -0.305 1.00 0.00 H new ATOM 384 P DC B 5 4.748 -1.256 -7.856 1.00 0.00 P ATOM 385 OP1 DC B 5 5.863 -1.447 -8.810 1.00 0.00 O ATOM 386 OP2 DC B 5 3.496 -2.025 -8.031 1.00 0.00 O ATOM 387 O5' DC B 5 5.300 -1.547 -6.374 1.00 0.00 O ATOM 388 C5' DC B 5 6.596 -1.158 -5.950 1.00 0.00 C ATOM 389 C4' DC B 5 6.644 -1.350 -4.431 1.00 0.00 C ATOM 390 O4' DC B 5 5.478 -0.788 -3.863 1.00 0.00 O ATOM 391 C3' DC B 5 6.696 -2.830 -4.055 1.00 0.00 C ATOM 392 O3' DC B 5 8.023 -3.182 -3.685 1.00 0.00 O ATOM 393 C2' DC B 5 5.709 -2.918 -2.906 1.00 0.00 C ATOM 394 C1' DC B 5 5.160 -1.515 -2.696 1.00 0.00 C ATOM 395 N1 DC B 5 3.700 -1.592 -2.412 1.00 0.00 N ATOM 396 C2 DC B 5 3.302 -1.870 -1.105 1.00 0.00 C ATOM 397 O2 DC B 5 4.127 -1.998 -0.204 1.00 0.00 O ATOM 398 N3 DC B 5 1.972 -2.005 -0.840 1.00 0.00 N ATOM 399 C4 DC B 5 1.057 -1.912 -1.814 1.00 0.00 C ATOM 400 N4 DC B 5 -0.234 -2.030 -1.489 1.00 0.00 N ATOM 401 C5 DC B 5 1.444 -1.670 -3.175 1.00 0.00 C ATOM 402 C6 DC B 5 2.768 -1.523 -3.418 1.00 0.00 C ATOM 0 H5' DC B 5 6.793 -0.119 -6.214 1.00 0.00 H new ATOM 0 H5'' DC B 5 7.360 -1.762 -6.440 1.00 0.00 H new ATOM 0 H4' DC B 5 7.543 -0.862 -4.055 1.00 0.00 H new ATOM 0 H3' DC B 5 6.437 -3.520 -4.858 1.00 0.00 H new ATOM 0 H2' DC B 5 4.906 -3.618 -3.138 1.00 0.00 H new ATOM 0 H2'' DC B 5 6.198 -3.282 -2.002 1.00 0.00 H new ATOM 0 H1' DC B 5 5.597 -1.006 -1.837 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.950 -1.963 -2.212 1.00 0.00 H new ATOM 0 H42 DC B 5 -0.503 -2.187 -0.518 1.00 0.00 H new ATOM 0 H5 DC B 5 0.713 -1.608 -3.968 1.00 0.00 H new ATOM 0 H6 DC B 5 3.100 -1.347 -4.430 1.00 0.00 H new ATOM 414 P DT B 6 8.471 -4.691 -3.300 1.00 0.00 P ATOM 415 OP1 DT B 6 9.949 -4.749 -3.347 1.00 0.00 O ATOM 416 OP2 DT B 6 7.678 -5.632 -4.122 1.00 0.00 O ATOM 417 O5' DT B 6 8.019 -4.880 -1.760 1.00 0.00 O ATOM 418 C5' DT B 6 8.586 -4.119 -0.705 1.00 0.00 C ATOM 419 C4' DT B 6 7.887 -4.492 0.608 1.00 0.00 C ATOM 420 O4' DT B 6 6.498 -4.269 0.470 1.00 0.00 O ATOM 421 C3' DT B 6 8.114 -5.957 1.000 1.00 0.00 C ATOM 422 O3' DT B 6 8.610 -6.002 2.335 1.00 0.00 O ATOM 423 C2' DT B 6 6.705 -6.526 0.887 1.00 0.00 C ATOM 424 C1' DT B 6 5.845 -5.296 1.171 1.00 0.00 C ATOM 425 N1 DT B 6 4.435 -5.393 0.714 1.00 0.00 N ATOM 426 C2 DT B 6 3.402 -5.139 1.619 1.00 0.00 C ATOM 427 O2 DT B 6 3.574 -5.015 2.830 1.00 0.00 O ATOM 428 N3 DT B 6 2.129 -5.034 1.081 1.00 0.00 N ATOM 429 C4 DT B 6 1.789 -5.187 -0.254 1.00 0.00 C ATOM 430 O4 DT B 6 0.617 -5.083 -0.608 1.00 0.00 O ATOM 431 C5 DT B 6 2.917 -5.457 -1.128 1.00 0.00 C ATOM 432 C7 DT B 6 2.681 -5.616 -2.618 1.00 0.00 C ATOM 433 C6 DT B 6 4.173 -5.547 -0.622 1.00 0.00 C ATOM 0 H5' DT B 6 8.470 -3.054 -0.904 1.00 0.00 H new ATOM 0 H5'' DT B 6 9.656 -4.315 -0.631 1.00 0.00 H new ATOM 0 H4' DT B 6 8.313 -3.868 1.394 1.00 0.00 H new ATOM 0 H3' DT B 6 8.836 -6.505 0.395 1.00 0.00 H new ATOM 0 H2' DT B 6 6.510 -6.941 -0.102 1.00 0.00 H new ATOM 0 H2'' DT B 6 6.528 -7.324 1.608 1.00 0.00 H new ATOM 0 H1' DT B 6 5.760 -5.145 2.247 1.00 0.00 H new ATOM 0 H3 DT B 6 1.370 -4.824 1.729 1.00 0.00 H new ATOM 0 H71 DT B 6 1.683 -6.021 -2.787 1.00 0.00 H new ATOM 0 H72 DT B 6 2.765 -4.645 -3.105 1.00 0.00 H new ATOM 0 H73 DT B 6 3.424 -6.296 -3.034 1.00 0.00 H new ATOM 0 H6 DT B 6 4.994 -5.747 -1.295 1.00 0.00 H new ATOM 446 P DG B 7 8.883 -7.383 3.140 1.00 0.00 P ATOM 447 OP1 DG B 7 9.854 -7.094 4.219 1.00 0.00 O ATOM 448 OP2 DG B 7 9.185 -8.441 2.151 1.00 0.00 O ATOM 449 O5' DG B 7 7.456 -7.731 3.826 1.00 0.00 O ATOM 450 C5' DG B 7 6.977 -7.028 4.961 1.00 0.00 C ATOM 451 C4' DG B 7 5.642 -7.596 5.469 1.00 0.00 C ATOM 452 O4' DG B 7 4.571 -7.280 4.595 1.00 0.00 O ATOM 453 C3' DG B 7 5.652 -9.127 5.618 1.00 0.00 C ATOM 454 O3' DG B 7 5.377 -9.440 6.979 1.00 0.00 O ATOM 455 C2' DG B 7 4.567 -9.578 4.649 1.00 0.00 C ATOM 456 C1' DG B 7 3.656 -8.359 4.640 1.00 0.00 C ATOM 457 N9 DG B 7 2.738 -8.313 3.491 1.00 0.00 N ATOM 458 C8 DG B 7 3.093 -8.393 2.185 1.00 0.00 C ATOM 459 N7 DG B 7 2.116 -8.240 1.337 1.00 0.00 N ATOM 460 C5 DG B 7 1.010 -8.051 2.160 1.00 0.00 C ATOM 461 C6 DG B 7 -0.360 -7.840 1.819 1.00 0.00 C ATOM 462 O6 DG B 7 -0.847 -7.714 0.700 1.00 0.00 O ATOM 463 N1 DG B 7 -1.184 -7.791 2.941 1.00 0.00 N ATOM 464 C2 DG B 7 -0.736 -7.892 4.246 1.00 0.00 C ATOM 465 N2 DG B 7 -1.654 -7.845 5.216 1.00 0.00 N ATOM 466 N3 DG B 7 0.559 -8.042 4.569 1.00 0.00 N ATOM 467 C4 DG B 7 1.377 -8.119 3.485 1.00 0.00 C ATOM 0 H5' DG B 7 6.850 -5.975 4.709 1.00 0.00 H new ATOM 0 H5'' DG B 7 7.719 -7.078 5.758 1.00 0.00 H new ATOM 0 H4' DG B 7 5.504 -7.133 6.446 1.00 0.00 H new ATOM 0 H3' DG B 7 6.595 -9.623 5.387 1.00 0.00 H new ATOM 0 H2' DG B 7 4.966 -9.802 3.659 1.00 0.00 H new ATOM 0 H2'' DG B 7 4.052 -10.474 4.995 1.00 0.00 H new ATOM 0 H1' DG B 7 2.991 -8.351 5.504 1.00 0.00 H new ATOM 0 H8 DG B 7 4.111 -8.571 1.871 1.00 0.00 H new ATOM 0 H1 DG B 7 -2.186 -7.673 2.790 1.00 0.00 H new ATOM 0 H21 DG B 7 -1.368 -7.916 6.193 1.00 0.00 H new ATOM 0 H22 DG B 7 -2.641 -7.738 4.980 1.00 0.00 H new ATOM 479 P DC B 8 5.111 -10.941 7.522 1.00 0.00 P ATOM 480 OP1 DC B 8 5.522 -10.997 8.942 1.00 0.00 O ATOM 481 OP2 DC B 8 5.683 -11.905 6.555 1.00 0.00 O ATOM 482 O5' DC B 8 3.498 -11.060 7.462 1.00 0.00 O ATOM 483 C5' DC B 8 2.674 -10.302 8.331 1.00 0.00 C ATOM 484 C4' DC B 8 1.188 -10.628 8.115 1.00 0.00 C ATOM 485 O4' DC B 8 0.816 -10.234 6.809 1.00 0.00 O ATOM 486 C3' DC B 8 0.798 -12.110 8.259 1.00 0.00 C ATOM 487 O3' DC B 8 0.151 -12.328 9.496 1.00 0.00 O ATOM 488 C2' DC B 8 -0.166 -12.344 7.094 1.00 0.00 C ATOM 489 C1' DC B 8 -0.318 -10.982 6.417 1.00 0.00 C ATOM 490 N1 DC B 8 -0.356 -11.115 4.935 1.00 0.00 N ATOM 491 C2 DC B 8 -1.575 -11.012 4.261 1.00 0.00 C ATOM 492 O2 DC B 8 -2.633 -10.900 4.875 1.00 0.00 O ATOM 493 N3 DC B 8 -1.565 -11.026 2.895 1.00 0.00 N ATOM 494 C4 DC B 8 -0.420 -11.171 2.210 1.00 0.00 C ATOM 495 N4 DC B 8 -0.455 -11.121 0.875 1.00 0.00 N ATOM 496 C5 DC B 8 0.837 -11.336 2.885 1.00 0.00 C ATOM 497 C6 DC B 8 0.811 -11.298 4.238 1.00 0.00 C ATOM 0 H5' DC B 8 2.844 -9.239 8.161 1.00 0.00 H new ATOM 0 H5'' DC B 8 2.947 -10.507 9.366 1.00 0.00 H new ATOM 0 H4' DC B 8 0.671 -10.086 8.907 1.00 0.00 H new ATOM 0 H3' DC B 8 1.655 -12.783 8.238 1.00 0.00 H new ATOM 0 H2' DC B 8 0.228 -13.086 6.400 1.00 0.00 H new ATOM 0 H2'' DC B 8 -1.127 -12.717 7.448 1.00 0.00 H new ATOM 0 HO3' DC B 8 -0.094 -13.274 9.575 1.00 0.00 H new ATOM 0 H1' DC B 8 -1.251 -10.501 6.711 1.00 0.00 H new ATOM 0 H41 DC B 8 0.405 -11.229 0.338 1.00 0.00 H new ATOM 0 H42 DC B 8 -1.342 -10.975 0.393 1.00 0.00 H new ATOM 0 H5 DC B 8 1.758 -11.483 2.340 1.00 0.00 H new ATOM 0 H6 DC B 8 1.735 -11.415 4.784 1.00 0.00 H new TER 510 DC B 8