USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -0.454 USER MOD Single : A 8 C O5' : rot 180:sc= -0.632 USER MOD Single : A 9 C O2' : rot -89:sc= -0.878 USER MOD Single : A 10 G O2' : rot 52:sc= 0.0383 USER MOD Single : A 11 U O2' : rot -136:sc= -0.377! USER MOD Single : A 12 U O2' : rot 167:sc= 1.3 USER MOD Single : A 13 G O2' : rot -16:sc= 0.169 USER MOD Single : A 14 A O2' : rot 180:sc= -0.192 USER MOD Single : A 15 A O2' : rot -79:sc= 0.0377 USER MOD Single : A 16 U O2' : rot 141:sc= 0.53 USER MOD Single : A 17 C O2' : rot 150:sc= -1.16! USER MOD Single : A 18 U O2' : rot -19:sc= 0.182 USER MOD Single : A 19 C O2' : rot -16:sc= 0.123 USER MOD Single : A 20 A O2' : rot -95:sc= -2.57 USER MOD Single : A 21 C O2' : rot 45:sc= -0.951! USER MOD Single : A 22 G O2' : rot 180:sc= -0.235 USER MOD Single : A 23 G O2' : rot -15:sc= 0.0815 USER MOD Single : A 23 G O3' : rot 180:sc= 0.0936 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 8.050 -6.705 -12.722 1.00 0.00 O ATOM 2 C5' C A 8 8.454 -7.980 -13.221 1.00 0.00 C ATOM 3 C4' C A 8 8.766 -8.918 -12.076 1.00 0.00 C ATOM 4 O4' C A 8 9.976 -8.464 -11.412 1.00 0.00 O ATOM 5 C3' C A 8 7.728 -8.980 -10.963 1.00 0.00 C ATOM 6 O3' C A 8 6.681 -9.895 -11.266 1.00 0.00 O ATOM 7 C2' C A 8 8.555 -9.422 -9.764 1.00 0.00 C ATOM 8 O2' C A 8 8.819 -10.813 -9.796 1.00 0.00 O ATOM 9 C1' C A 8 9.863 -8.673 -10.013 1.00 0.00 C ATOM 10 N1 C A 8 9.941 -7.362 -9.337 1.00 0.00 N ATOM 11 C2 C A 8 10.398 -7.303 -8.008 1.00 0.00 C ATOM 12 O2 C A 8 10.734 -8.351 -7.433 1.00 0.00 O ATOM 13 N3 C A 8 10.464 -6.102 -7.387 1.00 0.00 N ATOM 14 C4 C A 8 10.098 -4.993 -8.035 1.00 0.00 C ATOM 15 N4 C A 8 10.177 -3.834 -7.378 1.00 0.00 N ATOM 16 C5 C A 8 9.634 -5.023 -9.382 1.00 0.00 C ATOM 17 C6 C A 8 9.573 -6.216 -9.989 1.00 0.00 C ATOM 0 H5' C A 8 9.332 -7.867 -13.857 1.00 0.00 H new ATOM 0 H5'' C A 8 7.663 -8.403 -13.841 1.00 0.00 H new ATOM 0 H4' C A 8 8.826 -9.898 -12.549 1.00 0.00 H new ATOM 0 H3' C A 8 7.210 -8.035 -10.798 1.00 0.00 H new ATOM 0 H2' C A 8 8.066 -9.224 -8.810 1.00 0.00 H new ATOM 0 HO2' C A 8 9.353 -11.063 -9.013 1.00 0.00 H new ATOM 0 HO5' C A 8 7.853 -6.107 -13.473 1.00 0.00 H new ATOM 0 H1' C A 8 10.671 -9.281 -9.605 1.00 0.00 H new ATOM 0 H41 C A 8 9.906 -2.966 -7.840 1.00 0.00 H new ATOM 0 H42 C A 8 10.508 -3.816 -6.413 1.00 0.00 H new ATOM 0 H5 C A 8 9.342 -4.118 -9.894 1.00 0.00 H new ATOM 0 H6 C A 8 9.227 -6.274 -11.011 1.00 0.00 H new ATOM 29 P C A 9 5.265 -9.764 -10.515 1.00 0.00 P ATOM 30 OP1 C A 9 4.329 -10.714 -11.169 1.00 0.00 O ATOM 31 OP2 C A 9 4.904 -8.325 -10.429 1.00 0.00 O ATOM 32 O5' C A 9 5.562 -10.290 -9.041 1.00 0.00 O ATOM 33 C5' C A 9 5.900 -11.656 -8.806 1.00 0.00 C ATOM 34 C4' C A 9 6.140 -11.893 -7.332 1.00 0.00 C ATOM 35 O4' C A 9 7.348 -11.190 -6.933 1.00 0.00 O ATOM 36 C3' C A 9 5.069 -11.360 -6.387 1.00 0.00 C ATOM 37 O3' C A 9 3.923 -12.228 -6.276 1.00 0.00 O ATOM 38 C2' C A 9 5.846 -11.165 -5.088 1.00 0.00 C ATOM 39 O2' C A 9 6.090 -12.373 -4.394 1.00 0.00 O ATOM 40 C1' C A 9 7.190 -10.669 -5.623 1.00 0.00 C ATOM 41 N1 C A 9 7.305 -9.197 -5.686 1.00 0.00 N ATOM 42 C2 C A 9 7.774 -8.500 -4.558 1.00 0.00 C ATOM 43 O2 C A 9 8.085 -9.136 -3.536 1.00 0.00 O ATOM 44 N3 C A 9 7.876 -7.152 -4.613 1.00 0.00 N ATOM 45 C4 C A 9 7.533 -6.500 -5.725 1.00 0.00 C ATOM 46 N4 C A 9 7.651 -5.171 -5.732 1.00 0.00 N ATOM 47 C5 C A 9 7.054 -7.179 -6.882 1.00 0.00 C ATOM 48 C6 C A 9 6.961 -8.515 -6.822 1.00 0.00 C ATOM 0 H5' C A 9 6.793 -11.919 -9.373 1.00 0.00 H new ATOM 0 H5'' C A 9 5.096 -12.302 -9.159 1.00 0.00 H new ATOM 0 H4' C A 9 6.173 -12.979 -7.244 1.00 0.00 H new ATOM 0 H3' C A 9 4.602 -10.437 -6.732 1.00 0.00 H new ATOM 0 H2' C A 9 5.313 -10.519 -4.390 1.00 0.00 H new ATOM 0 HO2' C A 9 5.343 -12.559 -3.788 1.00 0.00 H new ATOM 0 H1' C A 9 7.962 -11.010 -4.933 1.00 0.00 H new ATOM 0 H41 C A 9 7.398 -4.641 -6.566 1.00 0.00 H new ATOM 0 H42 C A 9 7.995 -4.685 -4.904 1.00 0.00 H new ATOM 0 H5 C A 9 6.776 -6.638 -7.774 1.00 0.00 H new ATOM 0 H6 C A 9 6.609 -9.062 -7.684 1.00 0.00 H new ATOM 60 P G A 10 4.079 -13.771 -5.816 1.00 0.00 P ATOM 61 OP1 G A 10 5.468 -14.253 -6.031 1.00 0.00 O ATOM 62 OP2 G A 10 2.950 -14.507 -6.442 1.00 0.00 O ATOM 63 O5' G A 10 3.810 -13.730 -4.246 1.00 0.00 O ATOM 64 C5' G A 10 2.547 -13.314 -3.727 1.00 0.00 C ATOM 65 C4' G A 10 2.748 -12.351 -2.578 1.00 0.00 C ATOM 66 O4' G A 10 3.789 -11.411 -2.928 1.00 0.00 O ATOM 67 C3' G A 10 1.559 -11.457 -2.253 1.00 0.00 C ATOM 68 O3' G A 10 0.563 -12.096 -1.434 1.00 0.00 O ATOM 69 C2' G A 10 2.202 -10.244 -1.573 1.00 0.00 C ATOM 70 O2' G A 10 2.380 -10.425 -0.184 1.00 0.00 O ATOM 71 C1' G A 10 3.598 -10.216 -2.200 1.00 0.00 C ATOM 72 N9 G A 10 3.802 -9.084 -3.098 1.00 0.00 N ATOM 73 C8 G A 10 3.539 -9.031 -4.445 1.00 0.00 C ATOM 74 N7 G A 10 3.815 -7.872 -4.979 1.00 0.00 N ATOM 75 C5 G A 10 4.291 -7.113 -3.919 1.00 0.00 C ATOM 76 C6 G A 10 4.747 -5.768 -3.882 1.00 0.00 C ATOM 77 O6 G A 10 4.822 -4.954 -4.811 1.00 0.00 O ATOM 78 N1 G A 10 5.137 -5.395 -2.600 1.00 0.00 N ATOM 79 C2 G A 10 5.103 -6.211 -1.495 1.00 0.00 C ATOM 80 N2 G A 10 5.532 -5.673 -0.344 1.00 0.00 N ATOM 81 N3 G A 10 4.680 -7.464 -1.516 1.00 0.00 N ATOM 82 C4 G A 10 4.291 -7.846 -2.752 1.00 0.00 C ATOM 0 H5' G A 10 1.980 -14.182 -3.389 1.00 0.00 H new ATOM 0 H5'' G A 10 1.961 -12.837 -4.513 1.00 0.00 H new ATOM 0 H4' G A 10 2.957 -12.999 -1.727 1.00 0.00 H new ATOM 0 H3' G A 10 0.992 -11.190 -3.145 1.00 0.00 H new ATOM 0 H2' G A 10 1.590 -9.351 -1.702 1.00 0.00 H new ATOM 0 HO2' G A 10 2.857 -11.265 -0.022 1.00 0.00 H new ATOM 0 H1' G A 10 4.317 -10.116 -1.386 1.00 0.00 H new ATOM 0 H8 G A 10 3.143 -9.865 -5.006 1.00 0.00 H new ATOM 0 H1 G A 10 5.475 -4.441 -2.470 1.00 0.00 H new ATOM 0 H21 G A 10 5.531 -6.230 0.511 1.00 0.00 H new ATOM 0 H22 G A 10 5.860 -4.707 -0.323 1.00 0.00 H new ATOM 94 P U A 11 0.980 -12.959 -0.128 1.00 0.00 P ATOM 95 OP1 U A 11 2.439 -12.863 0.144 1.00 0.00 O ATOM 96 OP2 U A 11 0.360 -14.297 -0.306 1.00 0.00 O ATOM 97 O5' U A 11 0.219 -12.247 1.081 1.00 0.00 O ATOM 98 C5' U A 11 -0.342 -10.940 0.945 1.00 0.00 C ATOM 99 C4' U A 11 0.261 -10.004 1.971 1.00 0.00 C ATOM 100 O4' U A 11 0.816 -8.850 1.277 1.00 0.00 O ATOM 101 C3' U A 11 -0.723 -9.442 2.995 1.00 0.00 C ATOM 102 O3' U A 11 -0.179 -9.364 4.327 1.00 0.00 O ATOM 103 C2' U A 11 -1.109 -8.084 2.412 1.00 0.00 C ATOM 104 O2' U A 11 -1.404 -7.157 3.436 1.00 0.00 O ATOM 105 C1' U A 11 0.186 -7.665 1.720 1.00 0.00 C ATOM 106 N1 U A 11 -0.011 -6.780 0.558 1.00 0.00 N ATOM 107 C2 U A 11 0.039 -5.404 0.758 1.00 0.00 C ATOM 108 O2 U A 11 0.235 -4.892 1.849 1.00 0.00 O ATOM 109 N3 U A 11 -0.151 -4.647 -0.375 1.00 0.00 N ATOM 110 C4 U A 11 -0.375 -5.112 -1.654 1.00 0.00 C ATOM 111 O4 U A 11 -0.526 -4.307 -2.573 1.00 0.00 O ATOM 112 C5 U A 11 -0.409 -6.537 -1.772 1.00 0.00 C ATOM 113 C6 U A 11 -0.234 -7.305 -0.693 1.00 0.00 C ATOM 0 H5' U A 11 -1.423 -10.985 1.074 1.00 0.00 H new ATOM 0 H5'' U A 11 -0.156 -10.559 -0.059 1.00 0.00 H new ATOM 0 H4' U A 11 0.995 -10.605 2.508 1.00 0.00 H new ATOM 0 H3' U A 11 -1.588 -10.089 3.139 1.00 0.00 H new ATOM 0 H2' U A 11 -1.988 -8.125 1.768 1.00 0.00 H new ATOM 0 HO2' U A 11 -2.217 -6.662 3.204 1.00 0.00 H new ATOM 0 H1' U A 11 0.779 -7.098 2.438 1.00 0.00 H new ATOM 0 H3 U A 11 -0.123 -3.634 -0.257 1.00 0.00 H new ATOM 0 H5 U A 11 -0.577 -6.994 -2.736 1.00 0.00 H new ATOM 0 H6 U A 11 -0.269 -8.378 -0.808 1.00 0.00 H new ATOM 124 P U A 12 1.260 -8.673 4.608 1.00 0.00 P ATOM 125 OP1 U A 12 2.210 -8.983 3.511 1.00 0.00 O ATOM 126 OP2 U A 12 1.621 -9.035 6.003 1.00 0.00 O ATOM 127 O5' U A 12 0.961 -7.107 4.568 1.00 0.00 O ATOM 128 C5' U A 12 0.433 -6.427 5.705 1.00 0.00 C ATOM 129 C4' U A 12 0.650 -4.937 5.571 1.00 0.00 C ATOM 130 O4' U A 12 -0.114 -4.454 4.429 1.00 0.00 O ATOM 131 C3' U A 12 0.180 -4.108 6.767 1.00 0.00 C ATOM 132 O3' U A 12 1.025 -2.989 7.071 1.00 0.00 O ATOM 133 C2' U A 12 -1.213 -3.651 6.343 1.00 0.00 C ATOM 134 O2' U A 12 -1.546 -2.410 6.938 1.00 0.00 O ATOM 135 C1' U A 12 -1.012 -3.442 4.843 1.00 0.00 C ATOM 136 N1 U A 12 -2.236 -3.537 4.025 1.00 0.00 N ATOM 137 C2 U A 12 -3.238 -2.587 4.218 1.00 0.00 C ATOM 138 O2 U A 12 -3.155 -1.681 5.032 1.00 0.00 O ATOM 139 N3 U A 12 -4.345 -2.740 3.418 1.00 0.00 N ATOM 140 C4 U A 12 -4.554 -3.717 2.468 1.00 0.00 C ATOM 141 O4 U A 12 -5.608 -3.722 1.829 1.00 0.00 O ATOM 142 C5 U A 12 -3.483 -4.651 2.327 1.00 0.00 C ATOM 143 C6 U A 12 -2.388 -4.538 3.085 1.00 0.00 C ATOM 0 H5' U A 12 0.915 -6.792 6.612 1.00 0.00 H new ATOM 0 H5'' U A 12 -0.632 -6.639 5.803 1.00 0.00 H new ATOM 0 H4' U A 12 1.729 -4.813 5.475 1.00 0.00 H new ATOM 0 H3' U A 12 0.198 -4.691 7.688 1.00 0.00 H new ATOM 0 H2' U A 12 -2.004 -4.348 6.620 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.341 -2.040 6.501 1.00 0.00 H new ATOM 0 H1' U A 12 -0.650 -2.425 4.693 1.00 0.00 H new ATOM 0 H3 U A 12 -5.093 -2.057 3.540 1.00 0.00 H new ATOM 0 H5 U A 12 -3.558 -5.451 1.606 1.00 0.00 H new ATOM 0 H6 U A 12 -1.592 -5.256 2.958 1.00 0.00 H new ATOM 154 P G A 13 2.248 -2.594 6.097 1.00 0.00 P ATOM 155 OP1 G A 13 1.701 -2.217 4.770 1.00 0.00 O ATOM 156 OP2 G A 13 3.264 -3.674 6.192 1.00 0.00 O ATOM 157 O5' G A 13 2.869 -1.285 6.764 1.00 0.00 O ATOM 158 C5' G A 13 2.046 -0.170 7.097 1.00 0.00 C ATOM 159 C4' G A 13 2.172 0.903 6.041 1.00 0.00 C ATOM 160 O4' G A 13 1.490 0.470 4.843 1.00 0.00 O ATOM 161 C3' G A 13 1.505 2.228 6.375 1.00 0.00 C ATOM 162 O3' G A 13 2.358 3.051 7.164 1.00 0.00 O ATOM 163 C2' G A 13 1.218 2.840 5.002 1.00 0.00 C ATOM 164 O2' G A 13 2.327 3.585 4.538 1.00 0.00 O ATOM 165 C1' G A 13 1.069 1.603 4.110 1.00 0.00 C ATOM 166 N9 G A 13 -0.301 1.371 3.655 1.00 0.00 N ATOM 167 C8 G A 13 -1.116 0.318 3.996 1.00 0.00 C ATOM 168 N7 G A 13 -2.289 0.369 3.427 1.00 0.00 N ATOM 169 C5 G A 13 -2.250 1.526 2.661 1.00 0.00 C ATOM 170 C6 G A 13 -3.236 2.102 1.819 1.00 0.00 C ATOM 171 O6 G A 13 -4.376 1.690 1.575 1.00 0.00 O ATOM 172 N1 G A 13 -2.784 3.279 1.233 1.00 0.00 N ATOM 173 C2 G A 13 -1.542 3.832 1.427 1.00 0.00 C ATOM 174 N2 G A 13 -1.299 4.976 0.770 1.00 0.00 N ATOM 175 N3 G A 13 -0.612 3.305 2.208 1.00 0.00 N ATOM 176 C4 G A 13 -1.030 2.159 2.790 1.00 0.00 C ATOM 0 H5' G A 13 2.337 0.229 8.069 1.00 0.00 H new ATOM 0 H5'' G A 13 1.007 -0.488 7.181 1.00 0.00 H new ATOM 0 H4' G A 13 3.247 1.053 5.944 1.00 0.00 H new ATOM 0 H3' G A 13 0.601 2.115 6.973 1.00 0.00 H new ATOM 0 H2' G A 13 0.358 3.509 5.015 1.00 0.00 H new ATOM 0 HO2' G A 13 2.935 3.765 5.285 1.00 0.00 H new ATOM 0 H1' G A 13 1.678 1.775 3.223 1.00 0.00 H new ATOM 0 H8 G A 13 -0.815 -0.472 4.668 1.00 0.00 H new ATOM 0 H1 G A 13 -3.425 3.770 0.610 1.00 0.00 H new ATOM 0 H21 G A 13 -0.396 5.440 0.870 1.00 0.00 H new ATOM 0 H22 G A 13 -2.017 5.382 0.171 1.00 0.00 H new ATOM 188 P A A 14 1.738 4.292 7.978 1.00 0.00 P ATOM 189 OP1 A A 14 2.856 5.027 8.624 1.00 0.00 O ATOM 190 OP2 A A 14 0.628 3.765 8.813 1.00 0.00 O ATOM 191 O5' A A 14 1.121 5.224 6.842 1.00 0.00 O ATOM 192 C5' A A 14 0.058 6.129 7.128 1.00 0.00 C ATOM 193 C4' A A 14 -0.477 6.721 5.846 1.00 0.00 C ATOM 194 O4' A A 14 -0.716 5.648 4.897 1.00 0.00 O ATOM 195 C3' A A 14 -1.818 7.432 5.968 1.00 0.00 C ATOM 196 O3' A A 14 -1.657 8.792 6.353 1.00 0.00 O ATOM 197 C2' A A 14 -2.401 7.296 4.566 1.00 0.00 C ATOM 198 O2' A A 14 -1.847 8.250 3.678 1.00 0.00 O ATOM 199 C1' A A 14 -1.898 5.910 4.161 1.00 0.00 C ATOM 200 N9 A A 14 -2.858 4.837 4.426 1.00 0.00 N ATOM 201 C8 A A 14 -2.769 3.835 5.364 1.00 0.00 C ATOM 202 N7 A A 14 -3.792 3.018 5.364 1.00 0.00 N ATOM 203 C5 A A 14 -4.613 3.509 4.360 1.00 0.00 C ATOM 204 C6 A A 14 -5.856 3.083 3.861 1.00 0.00 C ATOM 205 N6 A A 14 -6.515 2.019 4.327 1.00 0.00 N ATOM 206 N1 A A 14 -6.407 3.795 2.854 1.00 0.00 N ATOM 207 C2 A A 14 -5.745 4.860 2.385 1.00 0.00 C ATOM 208 N3 A A 14 -4.572 5.358 2.770 1.00 0.00 N ATOM 209 C4 A A 14 -4.051 4.630 3.772 1.00 0.00 C ATOM 0 H5' A A 14 0.413 6.923 7.785 1.00 0.00 H new ATOM 0 H5'' A A 14 -0.740 5.609 7.659 1.00 0.00 H new ATOM 0 H4' A A 14 0.278 7.447 5.545 1.00 0.00 H new ATOM 0 H3' A A 14 -2.464 7.010 6.738 1.00 0.00 H new ATOM 0 H2' A A 14 -3.482 7.437 4.539 1.00 0.00 H new ATOM 0 HO2' A A 14 -2.241 8.136 2.788 1.00 0.00 H new ATOM 0 H1' A A 14 -1.730 5.923 3.084 1.00 0.00 H new ATOM 0 H8 A A 14 -1.932 3.732 6.039 1.00 0.00 H new ATOM 0 H61 A A 14 -7.415 1.759 3.923 1.00 0.00 H new ATOM 0 H62 A A 14 -6.118 1.466 5.087 1.00 0.00 H new ATOM 0 H2 A A 14 -6.232 5.390 1.580 1.00 0.00 H new ATOM 221 P A A 15 -2.879 9.576 7.045 1.00 0.00 P ATOM 222 OP1 A A 15 -2.434 10.963 7.336 1.00 0.00 O ATOM 223 OP2 A A 15 -3.394 8.725 8.147 1.00 0.00 O ATOM 224 O5' A A 15 -3.992 9.636 5.906 1.00 0.00 O ATOM 225 C5' A A 15 -3.783 10.395 4.717 1.00 0.00 C ATOM 226 C4' A A 15 -4.610 9.832 3.580 1.00 0.00 C ATOM 227 O4' A A 15 -5.184 8.558 3.995 1.00 0.00 O ATOM 228 C3' A A 15 -5.789 10.703 3.148 1.00 0.00 C ATOM 229 O3' A A 15 -5.933 10.712 1.730 1.00 0.00 O ATOM 230 C2' A A 15 -6.984 10.060 3.844 1.00 0.00 C ATOM 231 O2' A A 15 -8.169 10.187 3.085 1.00 0.00 O ATOM 232 C1' A A 15 -6.586 8.591 3.825 1.00 0.00 C ATOM 233 N9 A A 15 -7.211 7.792 4.881 1.00 0.00 N ATOM 234 C8 A A 15 -6.587 7.122 5.901 1.00 0.00 C ATOM 235 N7 A A 15 -7.409 6.488 6.702 1.00 0.00 N ATOM 236 C5 A A 15 -8.663 6.760 6.174 1.00 0.00 C ATOM 237 C6 A A 15 -9.958 6.377 6.566 1.00 0.00 C ATOM 238 N6 A A 15 -10.213 5.608 7.626 1.00 0.00 N ATOM 239 N1 A A 15 -10.995 6.819 5.822 1.00 0.00 N ATOM 240 C2 A A 15 -10.739 7.591 4.759 1.00 0.00 C ATOM 241 N3 A A 15 -9.568 8.017 4.291 1.00 0.00 N ATOM 242 C4 A A 15 -8.557 7.561 5.052 1.00 0.00 C ATOM 0 H5' A A 15 -2.727 10.380 4.449 1.00 0.00 H new ATOM 0 H5'' A A 15 -4.053 11.437 4.891 1.00 0.00 H new ATOM 0 H4' A A 15 -3.919 9.756 2.740 1.00 0.00 H new ATOM 0 H3' A A 15 -5.669 11.752 3.420 1.00 0.00 H new ATOM 0 H2' A A 15 -7.184 10.500 4.821 1.00 0.00 H new ATOM 0 HO2' A A 15 -8.537 11.088 3.201 1.00 0.00 H new ATOM 0 H1' A A 15 -6.921 8.155 2.884 1.00 0.00 H new ATOM 0 H8 A A 15 -5.515 7.117 6.033 1.00 0.00 H new ATOM 0 H61 A A 15 -11.176 5.364 7.859 1.00 0.00 H new ATOM 0 H62 A A 15 -9.445 5.264 8.203 1.00 0.00 H new ATOM 0 H2 A A 15 -11.606 7.914 4.202 1.00 0.00 H new ATOM 254 P U A 16 -6.438 12.047 0.985 1.00 0.00 P ATOM 255 OP1 U A 16 -6.050 11.920 -0.444 1.00 0.00 O ATOM 256 OP2 U A 16 -5.993 13.233 1.761 1.00 0.00 O ATOM 257 O5' U A 16 -8.029 11.965 1.077 1.00 0.00 O ATOM 258 C5' U A 16 -8.763 11.033 0.287 1.00 0.00 C ATOM 259 C4' U A 16 -10.246 11.178 0.548 1.00 0.00 C ATOM 260 O4' U A 16 -10.482 11.103 1.984 1.00 0.00 O ATOM 261 C3' U A 16 -10.854 12.502 0.095 1.00 0.00 C ATOM 262 O3' U A 16 -12.151 12.306 -0.458 1.00 0.00 O ATOM 263 C2' U A 16 -10.886 13.333 1.375 1.00 0.00 C ATOM 264 O2' U A 16 -11.962 14.253 1.367 1.00 0.00 O ATOM 265 C1' U A 16 -11.176 12.256 2.415 1.00 0.00 C ATOM 266 N1 U A 16 -10.738 12.586 3.782 1.00 0.00 N ATOM 267 C2 U A 16 -11.568 13.372 4.572 1.00 0.00 C ATOM 268 O2 U A 16 -12.644 13.807 4.187 1.00 0.00 O ATOM 269 N3 U A 16 -11.091 13.631 5.834 1.00 0.00 N ATOM 270 C4 U A 16 -9.900 13.196 6.377 1.00 0.00 C ATOM 271 O4 U A 16 -9.608 13.513 7.530 1.00 0.00 O ATOM 272 C5 U A 16 -9.106 12.392 5.500 1.00 0.00 C ATOM 273 C6 U A 16 -9.536 12.123 4.267 1.00 0.00 C ATOM 0 H5' U A 16 -8.443 10.017 0.520 1.00 0.00 H new ATOM 0 H5'' U A 16 -8.555 11.198 -0.770 1.00 0.00 H new ATOM 0 H4' U A 16 -10.713 10.377 -0.026 1.00 0.00 H new ATOM 0 H3' U A 16 -10.288 12.991 -0.698 1.00 0.00 H new ATOM 0 H2' U A 16 -9.980 13.919 1.533 1.00 0.00 H new ATOM 0 HO2' U A 16 -12.356 14.304 2.263 1.00 0.00 H new ATOM 0 H1' U A 16 -12.257 12.130 2.480 1.00 0.00 H new ATOM 0 H3 U A 16 -11.681 14.207 6.434 1.00 0.00 H new ATOM 0 H5 U A 16 -8.157 12.002 5.837 1.00 0.00 H new ATOM 0 H6 U A 16 -8.916 11.517 3.623 1.00 0.00 H new ATOM 284 P C A 17 -12.309 11.989 -2.026 1.00 0.00 P ATOM 285 OP1 C A 17 -11.919 13.207 -2.786 1.00 0.00 O ATOM 286 OP2 C A 17 -13.663 11.410 -2.219 1.00 0.00 O ATOM 287 O5' C A 17 -11.244 10.834 -2.300 1.00 0.00 O ATOM 288 C5' C A 17 -10.012 11.105 -2.972 1.00 0.00 C ATOM 289 C4' C A 17 -9.483 9.848 -3.630 1.00 0.00 C ATOM 290 O4' C A 17 -8.738 9.084 -2.638 1.00 0.00 O ATOM 291 C3' C A 17 -10.540 8.887 -4.187 1.00 0.00 C ATOM 292 O3' C A 17 -10.148 8.213 -5.390 1.00 0.00 O ATOM 293 C2' C A 17 -10.706 7.880 -3.054 1.00 0.00 C ATOM 294 O2' C A 17 -11.111 6.614 -3.539 1.00 0.00 O ATOM 295 C1' C A 17 -9.267 7.779 -2.554 1.00 0.00 C ATOM 296 N1 C A 17 -9.109 7.292 -1.170 1.00 0.00 N ATOM 297 C2 C A 17 -8.404 6.098 -0.946 1.00 0.00 C ATOM 298 O2 C A 17 -7.931 5.481 -1.915 1.00 0.00 O ATOM 299 N3 C A 17 -8.255 5.650 0.320 1.00 0.00 N ATOM 300 C4 C A 17 -8.771 6.339 1.339 1.00 0.00 C ATOM 301 N4 C A 17 -8.598 5.855 2.571 1.00 0.00 N ATOM 302 C5 C A 17 -9.490 7.555 1.143 1.00 0.00 C ATOM 303 C6 C A 17 -9.636 7.989 -0.118 1.00 0.00 C ATOM 0 H5' C A 17 -9.279 11.487 -2.261 1.00 0.00 H new ATOM 0 H5'' C A 17 -10.163 11.881 -3.723 1.00 0.00 H new ATOM 0 H4' C A 17 -8.892 10.208 -4.473 1.00 0.00 H new ATOM 0 H3' C A 17 -11.446 9.422 -4.471 1.00 0.00 H new ATOM 0 H2' C A 17 -11.452 8.173 -2.315 1.00 0.00 H new ATOM 0 HO2' C A 17 -10.758 5.911 -2.954 1.00 0.00 H new ATOM 0 H1' C A 17 -8.753 7.041 -3.169 1.00 0.00 H new ATOM 0 H41 C A 17 -8.979 6.356 3.374 1.00 0.00 H new ATOM 0 H42 C A 17 -8.085 4.984 2.709 1.00 0.00 H new ATOM 0 H5 C A 17 -9.901 8.105 1.977 1.00 0.00 H new ATOM 0 H6 C A 17 -10.179 8.904 -0.305 1.00 0.00 H new ATOM 315 P U A 18 -9.410 9.013 -6.583 1.00 0.00 P ATOM 316 OP1 U A 18 -9.576 10.476 -6.386 1.00 0.00 O ATOM 317 OP2 U A 18 -9.855 8.396 -7.860 1.00 0.00 O ATOM 318 O5' U A 18 -7.866 8.656 -6.394 1.00 0.00 O ATOM 319 C5' U A 18 -7.428 7.784 -5.348 1.00 0.00 C ATOM 320 C4' U A 18 -7.253 6.371 -5.866 1.00 0.00 C ATOM 321 O4' U A 18 -7.638 5.450 -4.822 1.00 0.00 O ATOM 322 C3' U A 18 -8.104 5.980 -7.081 1.00 0.00 C ATOM 323 O3' U A 18 -7.319 5.855 -8.277 1.00 0.00 O ATOM 324 C2' U A 18 -8.785 4.655 -6.691 1.00 0.00 C ATOM 325 O2' U A 18 -8.566 3.656 -7.668 1.00 0.00 O ATOM 326 C1' U A 18 -8.036 4.249 -5.424 1.00 0.00 C ATOM 327 N1 U A 18 -8.827 3.469 -4.458 1.00 0.00 N ATOM 328 C2 U A 18 -8.612 2.098 -4.403 1.00 0.00 C ATOM 329 O2 U A 18 -7.807 1.518 -5.117 1.00 0.00 O ATOM 330 N3 U A 18 -9.375 1.428 -3.479 1.00 0.00 N ATOM 331 C4 U A 18 -10.310 1.970 -2.623 1.00 0.00 C ATOM 332 O4 U A 18 -10.918 1.234 -1.844 1.00 0.00 O ATOM 333 C5 U A 18 -10.474 3.385 -2.742 1.00 0.00 C ATOM 334 C6 U A 18 -9.752 4.072 -3.631 1.00 0.00 C ATOM 0 H5' U A 18 -8.153 7.791 -4.534 1.00 0.00 H new ATOM 0 H5'' U A 18 -6.485 8.145 -4.938 1.00 0.00 H new ATOM 0 H4' U A 18 -6.207 6.326 -6.170 1.00 0.00 H new ATOM 0 H3' U A 18 -8.838 6.751 -7.317 1.00 0.00 H new ATOM 0 H2' U A 18 -9.863 4.766 -6.578 1.00 0.00 H new ATOM 0 HO2' U A 18 -8.303 4.077 -8.513 1.00 0.00 H new ATOM 0 H1' U A 18 -7.213 3.593 -5.707 1.00 0.00 H new ATOM 0 H3 U A 18 -9.235 0.419 -3.419 1.00 0.00 H new ATOM 0 H5 U A 18 -11.184 3.900 -2.111 1.00 0.00 H new ATOM 0 H6 U A 18 -9.898 5.140 -3.705 1.00 0.00 H new ATOM 345 P C A 19 -5.846 5.194 -8.230 1.00 0.00 P ATOM 346 OP1 C A 19 -5.429 4.982 -9.640 1.00 0.00 O ATOM 347 OP2 C A 19 -5.850 4.045 -7.290 1.00 0.00 O ATOM 348 O5' C A 19 -4.922 6.344 -7.624 1.00 0.00 O ATOM 349 C5' C A 19 -3.633 6.049 -7.088 1.00 0.00 C ATOM 350 C4' C A 19 -3.351 6.930 -5.893 1.00 0.00 C ATOM 351 O4' C A 19 -4.428 6.769 -4.932 1.00 0.00 O ATOM 352 C3' C A 19 -2.083 6.588 -5.122 1.00 0.00 C ATOM 353 O3' C A 19 -0.954 7.276 -5.648 1.00 0.00 O ATOM 354 C2' C A 19 -2.406 7.033 -3.700 1.00 0.00 C ATOM 355 O2' C A 19 -2.210 8.425 -3.537 1.00 0.00 O ATOM 356 C1' C A 19 -3.907 6.744 -3.616 1.00 0.00 C ATOM 357 N1 C A 19 -4.245 5.439 -3.008 1.00 0.00 N ATOM 358 C2 C A 19 -3.994 5.226 -1.636 1.00 0.00 C ATOM 359 O2 C A 19 -3.479 6.135 -0.964 1.00 0.00 O ATOM 360 N3 C A 19 -4.319 4.034 -1.086 1.00 0.00 N ATOM 361 C4 C A 19 -4.868 3.077 -1.837 1.00 0.00 C ATOM 362 N4 C A 19 -5.169 1.917 -1.248 1.00 0.00 N ATOM 363 C5 C A 19 -5.132 3.263 -3.226 1.00 0.00 C ATOM 364 C6 C A 19 -4.803 4.444 -3.764 1.00 0.00 C ATOM 0 H5' C A 19 -2.870 6.203 -7.851 1.00 0.00 H new ATOM 0 H5'' C A 19 -3.584 5.000 -6.795 1.00 0.00 H new ATOM 0 H4' C A 19 -3.247 7.934 -6.305 1.00 0.00 H new ATOM 0 H3' C A 19 -1.818 5.532 -5.182 1.00 0.00 H new ATOM 0 H2' C A 19 -1.787 6.539 -2.951 1.00 0.00 H new ATOM 0 HO2' C A 19 -1.676 8.770 -4.283 1.00 0.00 H new ATOM 0 H1' C A 19 -4.340 7.507 -2.969 1.00 0.00 H new ATOM 0 H41 C A 19 -5.590 1.163 -1.791 1.00 0.00 H new ATOM 0 H42 C A 19 -4.978 1.785 -0.255 1.00 0.00 H new ATOM 0 H5 C A 19 -5.580 2.481 -3.821 1.00 0.00 H new ATOM 0 H6 C A 19 -4.981 4.615 -4.815 1.00 0.00 H new ATOM 376 P A A 20 0.495 6.581 -5.608 1.00 0.00 P ATOM 377 OP1 A A 20 1.512 7.607 -5.949 1.00 0.00 O ATOM 378 OP2 A A 20 0.403 5.342 -6.421 1.00 0.00 O ATOM 379 O5' A A 20 0.690 6.174 -4.079 1.00 0.00 O ATOM 380 C5' A A 20 1.532 5.085 -3.713 1.00 0.00 C ATOM 381 C4' A A 20 1.646 4.997 -2.209 1.00 0.00 C ATOM 382 O4' A A 20 0.413 4.421 -1.687 1.00 0.00 O ATOM 383 C3' A A 20 2.785 4.112 -1.710 1.00 0.00 C ATOM 384 O3' A A 20 3.553 4.762 -0.673 1.00 0.00 O ATOM 385 C2' A A 20 2.095 2.798 -1.367 1.00 0.00 C ATOM 386 O2' A A 20 2.700 2.152 -0.270 1.00 0.00 O ATOM 387 C1' A A 20 0.706 3.258 -0.943 1.00 0.00 C ATOM 388 N9 A A 20 -0.333 2.255 -1.201 1.00 0.00 N ATOM 389 C8 A A 20 -1.629 2.462 -1.585 1.00 0.00 C ATOM 390 N7 A A 20 -2.323 1.358 -1.736 1.00 0.00 N ATOM 391 C5 A A 20 -1.415 0.352 -1.437 1.00 0.00 C ATOM 392 C6 A A 20 -1.519 -1.053 -1.414 1.00 0.00 C ATOM 393 N6 A A 20 -2.639 -1.719 -1.705 1.00 0.00 N ATOM 394 N1 A A 20 -0.414 -1.759 -1.079 1.00 0.00 N ATOM 395 C2 A A 20 0.709 -1.085 -0.791 1.00 0.00 C ATOM 396 N3 A A 20 0.921 0.216 -0.765 1.00 0.00 N ATOM 397 C4 A A 20 -0.187 0.890 -1.104 1.00 0.00 C ATOM 0 H5' A A 20 2.521 5.216 -4.153 1.00 0.00 H new ATOM 0 H5'' A A 20 1.128 4.154 -4.110 1.00 0.00 H new ATOM 0 H4' A A 20 1.840 6.013 -1.865 1.00 0.00 H new ATOM 0 H3' A A 20 3.573 3.915 -2.437 1.00 0.00 H new ATOM 0 H2' A A 20 2.125 2.093 -2.197 1.00 0.00 H new ATOM 0 HO2' A A 20 3.351 1.496 -0.595 1.00 0.00 H new ATOM 0 H1' A A 20 0.710 3.435 0.132 1.00 0.00 H new ATOM 0 H8 A A 20 -2.044 3.445 -1.749 1.00 0.00 H new ATOM 0 H61 A A 20 -2.650 -2.738 -1.670 1.00 0.00 H new ATOM 0 H62 A A 20 -3.484 -1.208 -1.962 1.00 0.00 H new ATOM 0 H2 A A 20 1.564 -1.697 -0.545 1.00 0.00 H new ATOM 409 P C A 21 3.065 4.769 0.869 1.00 0.00 P ATOM 410 OP1 C A 21 1.590 4.655 0.952 1.00 0.00 O ATOM 411 OP2 C A 21 3.738 5.924 1.515 1.00 0.00 O ATOM 412 O5' C A 21 3.714 3.448 1.485 1.00 0.00 O ATOM 413 C5' C A 21 5.093 3.144 1.276 1.00 0.00 C ATOM 414 C4' C A 21 5.394 1.727 1.709 1.00 0.00 C ATOM 415 O4' C A 21 4.335 0.829 1.279 1.00 0.00 O ATOM 416 C3' C A 21 6.627 1.104 1.077 1.00 0.00 C ATOM 417 O3' C A 21 7.859 1.630 1.610 1.00 0.00 O ATOM 418 C2' C A 21 6.381 -0.386 1.306 1.00 0.00 C ATOM 419 O2' C A 21 6.622 -0.814 2.631 1.00 0.00 O ATOM 420 C1' C A 21 4.867 -0.476 1.086 1.00 0.00 C ATOM 421 N1 C A 21 4.481 -0.968 -0.259 1.00 0.00 N ATOM 422 C2 C A 21 4.888 -2.259 -0.664 1.00 0.00 C ATOM 423 O2 C A 21 5.554 -2.959 0.115 1.00 0.00 O ATOM 424 N3 C A 21 4.541 -2.704 -1.893 1.00 0.00 N ATOM 425 C4 C A 21 3.818 -1.931 -2.705 1.00 0.00 C ATOM 426 N4 C A 21 3.502 -2.414 -3.909 1.00 0.00 N ATOM 427 C5 C A 21 3.387 -0.626 -2.322 1.00 0.00 C ATOM 428 C6 C A 21 3.737 -0.191 -1.103 1.00 0.00 C ATOM 0 H5' C A 21 5.714 3.842 1.837 1.00 0.00 H new ATOM 0 H5'' C A 21 5.344 3.270 0.223 1.00 0.00 H new ATOM 0 H4' C A 21 5.519 1.825 2.787 1.00 0.00 H new ATOM 0 H3' C A 21 6.761 1.331 0.019 1.00 0.00 H new ATOM 0 H2' C A 21 7.028 -0.991 0.671 1.00 0.00 H new ATOM 0 HO2' C A 21 6.223 -0.176 3.259 1.00 0.00 H new ATOM 0 H1' C A 21 4.468 -1.203 1.794 1.00 0.00 H new ATOM 0 H41 C A 21 2.950 -1.850 -4.556 1.00 0.00 H new ATOM 0 H42 C A 21 3.812 -3.347 -4.182 1.00 0.00 H new ATOM 0 H5 C A 21 2.801 -0.011 -2.989 1.00 0.00 H new ATOM 0 H6 C A 21 3.425 0.792 -0.782 1.00 0.00 H new ATOM 440 P G A 22 8.308 1.333 3.134 1.00 0.00 P ATOM 441 OP1 G A 22 7.113 1.181 4.004 1.00 0.00 O ATOM 442 OP2 G A 22 9.330 2.355 3.476 1.00 0.00 O ATOM 443 O5' G A 22 9.058 -0.071 3.044 1.00 0.00 O ATOM 444 C5' G A 22 9.743 -0.608 4.174 1.00 0.00 C ATOM 445 C4' G A 22 9.987 -2.089 3.987 1.00 0.00 C ATOM 446 O4' G A 22 8.860 -2.678 3.281 1.00 0.00 O ATOM 447 C3' G A 22 11.187 -2.474 3.133 1.00 0.00 C ATOM 448 O3' G A 22 12.405 -2.444 3.869 1.00 0.00 O ATOM 449 C2' G A 22 10.820 -3.883 2.689 1.00 0.00 C ATOM 450 O2' G A 22 11.024 -4.829 3.724 1.00 0.00 O ATOM 451 C1' G A 22 9.318 -3.734 2.454 1.00 0.00 C ATOM 452 N9 G A 22 8.982 -3.424 1.066 1.00 0.00 N ATOM 453 C8 G A 22 8.728 -2.184 0.529 1.00 0.00 C ATOM 454 N7 G A 22 8.466 -2.220 -0.748 1.00 0.00 N ATOM 455 C5 G A 22 8.544 -3.565 -1.077 1.00 0.00 C ATOM 456 C6 G A 22 8.353 -4.218 -2.320 1.00 0.00 C ATOM 457 O6 G A 22 8.066 -3.720 -3.415 1.00 0.00 O ATOM 458 N1 G A 22 8.529 -5.594 -2.210 1.00 0.00 N ATOM 459 C2 G A 22 8.846 -6.257 -1.050 1.00 0.00 C ATOM 460 N2 G A 22 8.973 -7.588 -1.146 1.00 0.00 N ATOM 461 N3 G A 22 9.026 -5.661 0.117 1.00 0.00 N ATOM 462 C4 G A 22 8.860 -4.323 0.031 1.00 0.00 C ATOM 0 H5' G A 22 9.156 -0.441 5.077 1.00 0.00 H new ATOM 0 H5'' G A 22 10.693 -0.091 4.311 1.00 0.00 H new ATOM 0 H4' G A 22 10.150 -2.443 5.005 1.00 0.00 H new ATOM 0 H3' G A 22 11.370 -1.788 2.306 1.00 0.00 H new ATOM 0 H2' G A 22 11.406 -4.231 1.838 1.00 0.00 H new ATOM 0 HO2' G A 22 10.777 -5.722 3.404 1.00 0.00 H new ATOM 0 H1' G A 22 8.842 -4.686 2.689 1.00 0.00 H new ATOM 0 H8 G A 22 8.744 -1.272 1.107 1.00 0.00 H new ATOM 0 H1 G A 22 8.414 -6.153 -3.056 1.00 0.00 H new ATOM 0 H21 G A 22 9.207 -8.139 -0.320 1.00 0.00 H new ATOM 0 H22 G A 22 8.835 -8.050 -2.045 1.00 0.00 H new ATOM 474 P G A 23 13.808 -2.364 3.084 1.00 0.00 P ATOM 475 OP1 G A 23 14.897 -2.279 4.091 1.00 0.00 O ATOM 476 OP2 G A 23 13.683 -1.304 2.050 1.00 0.00 O ATOM 477 O5' G A 23 13.917 -3.768 2.337 1.00 0.00 O ATOM 478 C5' G A 23 14.202 -4.963 3.060 1.00 0.00 C ATOM 479 C4' G A 23 14.330 -6.137 2.112 1.00 0.00 C ATOM 480 O4' G A 23 13.078 -6.303 1.395 1.00 0.00 O ATOM 481 C3' G A 23 15.377 -5.996 1.016 1.00 0.00 C ATOM 482 O3' G A 23 16.683 -6.365 1.463 1.00 0.00 O ATOM 483 C2' G A 23 14.851 -6.933 -0.068 1.00 0.00 C ATOM 484 O2' G A 23 15.163 -8.284 0.221 1.00 0.00 O ATOM 485 C1' G A 23 13.338 -6.747 0.074 1.00 0.00 C ATOM 486 N9 G A 23 12.773 -5.776 -0.860 1.00 0.00 N ATOM 487 C8 G A 23 12.454 -4.463 -0.602 1.00 0.00 C ATOM 488 N7 G A 23 11.965 -3.839 -1.638 1.00 0.00 N ATOM 489 C5 G A 23 11.957 -4.796 -2.644 1.00 0.00 C ATOM 490 C6 G A 23 11.532 -4.705 -3.995 1.00 0.00 C ATOM 491 O6 G A 23 11.064 -3.728 -4.591 1.00 0.00 O ATOM 492 N1 G A 23 11.695 -5.913 -4.666 1.00 0.00 N ATOM 493 C2 G A 23 12.201 -7.062 -4.110 1.00 0.00 C ATOM 494 N2 G A 23 12.277 -8.127 -4.922 1.00 0.00 N ATOM 495 N3 G A 23 12.601 -7.162 -2.853 1.00 0.00 N ATOM 496 C4 G A 23 12.452 -5.998 -2.181 1.00 0.00 C ATOM 0 H5' G A 23 13.409 -5.156 3.783 1.00 0.00 H new ATOM 0 H5'' G A 23 15.126 -4.842 3.625 1.00 0.00 H new ATOM 0 H4' G A 23 14.615 -6.967 2.759 1.00 0.00 H new ATOM 0 H3' G A 23 15.503 -4.969 0.673 1.00 0.00 H new ATOM 0 H2' G A 23 15.265 -6.719 -1.053 1.00 0.00 H new ATOM 0 HO2' G A 23 15.847 -8.319 0.922 1.00 0.00 H new ATOM 0 HO3' G A 23 17.322 -6.261 0.727 1.00 0.00 H new ATOM 0 H1' G A 23 12.870 -7.706 -0.150 1.00 0.00 H new ATOM 0 H8 G A 23 12.594 -3.996 0.361 1.00 0.00 H new ATOM 0 H1 G A 23 11.417 -5.948 -5.647 1.00 0.00 H new ATOM 0 H21 G A 23 12.644 -9.011 -4.570 1.00 0.00 H new ATOM 0 H22 G A 23 11.968 -8.052 -5.891 1.00 0.00 H new TER 508 G A 23