USER MOD reduce.3.24.130724 H: found=0, std=0, add=163, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 163 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 G O2' : rot -24:sc= 0.111 USER MOD Single : A 1 G O5' : rot -3:sc= 0.513 USER MOD Single : A 2 A O2' : rot -19:sc= -0.469 USER MOD Single : A 3 G O2' : rot -14:sc= 0.0753 USER MOD Single : A 4 A O2' : rot 180:sc= -1.02 USER MOD Single : A 5 G O2' : rot -76:sc= 1.18 USER MOD Single : A 6 U O2' : rot -154:sc= -3.71! USER MOD Single : A 7 U O2' : rot -120:sc= -1.1! USER MOD Single : A 8 G O2' : rot 22:sc= 0.207 USER MOD Single : A 9 G O2' : rot 180:sc= -0.275 USER MOD Single : A 10 G O2' : rot -177:sc= -1.41! USER MOD Single : A 11 C O2' : rot 180:sc= -0.958 USER MOD Single : A 12 U O2' : rot -169:sc= -3.51! USER MOD Single : A 13 C O2' : rot 180:sc= -2.57! USER MOD Single : A 14 U O2' : rot -114:sc= 0.337 USER MOD Single : A 15 C O2' : rot -18:sc= 0.125 USER MOD Single : A 15 C O3' : rot 180:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -2.899 -7.563 -7.445 1.00 0.00 O ATOM 2 C5' G A 1 -4.202 -8.037 -7.796 1.00 0.00 C ATOM 3 C4' G A 1 -4.960 -8.475 -6.565 1.00 0.00 C ATOM 4 O4' G A 1 -4.119 -9.380 -5.798 1.00 0.00 O ATOM 5 C3' G A 1 -5.319 -7.361 -5.593 1.00 0.00 C ATOM 6 O3' G A 1 -6.561 -6.756 -5.935 1.00 0.00 O ATOM 7 C2' G A 1 -5.375 -8.087 -4.254 1.00 0.00 C ATOM 8 O2' G A 1 -6.596 -8.783 -4.101 1.00 0.00 O ATOM 9 C1' G A 1 -4.250 -9.105 -4.414 1.00 0.00 C ATOM 10 N9 G A 1 -2.953 -8.654 -3.918 1.00 0.00 N ATOM 11 C8 G A 1 -2.347 -7.441 -4.136 1.00 0.00 C ATOM 12 N7 G A 1 -1.158 -7.356 -3.603 1.00 0.00 N ATOM 13 C5 G A 1 -0.983 -8.577 -2.967 1.00 0.00 C ATOM 14 C6 G A 1 0.110 -9.070 -2.206 1.00 0.00 C ATOM 15 O6 G A 1 1.181 -8.513 -1.940 1.00 0.00 O ATOM 16 N1 G A 1 -0.134 -10.356 -1.738 1.00 0.00 N ATOM 17 C2 G A 1 -1.278 -11.075 -1.971 1.00 0.00 C ATOM 18 N2 G A 1 -1.324 -12.294 -1.432 1.00 0.00 N ATOM 19 N3 G A 1 -2.300 -10.632 -2.677 1.00 0.00 N ATOM 20 C4 G A 1 -2.086 -9.384 -3.142 1.00 0.00 C ATOM 0 H5' G A 1 -4.116 -8.871 -8.492 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.755 -7.250 -8.309 1.00 0.00 H new ATOM 0 H4' G A 1 -5.882 -8.912 -6.949 1.00 0.00 H new ATOM 0 H3' G A 1 -4.608 -6.534 -5.592 1.00 0.00 H new ATOM 0 H2' G A 1 -5.287 -7.418 -3.398 1.00 0.00 H new ATOM 0 HO2' G A 1 -7.283 -8.365 -4.661 1.00 0.00 H new ATOM 0 HO5' G A 1 -2.796 -7.582 -6.471 1.00 0.00 H new ATOM 0 H1' G A 1 -4.522 -9.978 -3.820 1.00 0.00 H new ATOM 0 H8 G A 1 -2.808 -6.638 -4.692 1.00 0.00 H new ATOM 0 H1 G A 1 0.594 -10.799 -1.178 1.00 0.00 H new ATOM 0 H21 G A 1 -2.147 -12.881 -1.568 1.00 0.00 H new ATOM 0 H22 G A 1 -0.536 -12.639 -0.884 1.00 0.00 H new ATOM 33 P A A 2 -6.836 -5.219 -5.546 1.00 0.00 P ATOM 34 OP1 A A 2 -8.184 -4.871 -6.062 1.00 0.00 O ATOM 35 OP2 A A 2 -5.660 -4.411 -5.965 1.00 0.00 O ATOM 36 O5' A A 2 -6.905 -5.231 -3.956 1.00 0.00 O ATOM 37 C5' A A 2 -5.728 -5.070 -3.170 1.00 0.00 C ATOM 38 C4' A A 2 -5.855 -5.847 -1.882 1.00 0.00 C ATOM 39 O4' A A 2 -4.899 -6.947 -1.885 1.00 0.00 O ATOM 40 C3' A A 2 -5.518 -5.050 -0.632 1.00 0.00 C ATOM 41 O3' A A 2 -6.661 -4.346 -0.152 1.00 0.00 O ATOM 42 C2' A A 2 -5.040 -6.132 0.326 1.00 0.00 C ATOM 43 O2' A A 2 -6.124 -6.868 0.858 1.00 0.00 O ATOM 44 C1' A A 2 -4.255 -7.026 -0.626 1.00 0.00 C ATOM 45 N9 A A 2 -2.867 -6.605 -0.791 1.00 0.00 N ATOM 46 C8 A A 2 -2.386 -5.688 -1.687 1.00 0.00 C ATOM 47 N7 A A 2 -1.092 -5.498 -1.609 1.00 0.00 N ATOM 48 C5 A A 2 -0.693 -6.356 -0.592 1.00 0.00 C ATOM 49 C6 A A 2 0.562 -6.630 -0.027 1.00 0.00 C ATOM 50 N6 A A 2 1.693 -6.045 -0.421 1.00 0.00 N ATOM 51 N1 A A 2 0.617 -7.540 0.969 1.00 0.00 N ATOM 52 C2 A A 2 -0.522 -8.124 1.368 1.00 0.00 C ATOM 53 N3 A A 2 -1.760 -7.949 0.913 1.00 0.00 N ATOM 54 C4 A A 2 -1.777 -7.042 -0.079 1.00 0.00 C ATOM 0 H5' A A 2 -5.568 -4.014 -2.953 1.00 0.00 H new ATOM 0 H5'' A A 2 -4.858 -5.416 -3.728 1.00 0.00 H new ATOM 0 H4' A A 2 -6.900 -6.156 -1.846 1.00 0.00 H new ATOM 0 H3' A A 2 -4.772 -4.270 -0.783 1.00 0.00 H new ATOM 0 H2' A A 2 -4.488 -5.745 1.183 1.00 0.00 H new ATOM 0 HO2' A A 2 -6.951 -6.353 0.755 1.00 0.00 H new ATOM 0 H1' A A 2 -4.234 -8.036 -0.217 1.00 0.00 H new ATOM 0 H8 A A 2 -3.016 -5.169 -2.394 1.00 0.00 H new ATOM 0 H61 A A 2 2.576 -6.286 0.029 1.00 0.00 H new ATOM 0 H62 A A 2 1.676 -5.356 -1.173 1.00 0.00 H new ATOM 0 H2 A A 2 -0.420 -8.837 2.172 1.00 0.00 H new ATOM 66 P G A 3 -6.499 -2.859 0.442 1.00 0.00 P ATOM 67 OP1 G A 3 -7.661 -2.069 -0.037 1.00 0.00 O ATOM 68 OP2 G A 3 -5.123 -2.374 0.170 1.00 0.00 O ATOM 69 O5' G A 3 -6.662 -3.054 2.016 1.00 0.00 O ATOM 70 C5' G A 3 -6.576 -4.347 2.615 1.00 0.00 C ATOM 71 C4' G A 3 -6.051 -4.235 4.028 1.00 0.00 C ATOM 72 O4' G A 3 -4.910 -5.131 4.172 1.00 0.00 O ATOM 73 C3' G A 3 -5.535 -2.852 4.413 1.00 0.00 C ATOM 74 O3' G A 3 -6.552 -2.073 5.034 1.00 0.00 O ATOM 75 C2' G A 3 -4.381 -3.170 5.354 1.00 0.00 C ATOM 76 O2' G A 3 -4.855 -3.509 6.644 1.00 0.00 O ATOM 77 C1' G A 3 -3.805 -4.417 4.691 1.00 0.00 C ATOM 78 N9 G A 3 -2.885 -4.142 3.592 1.00 0.00 N ATOM 79 C8 G A 3 -3.213 -3.661 2.352 1.00 0.00 C ATOM 80 N7 G A 3 -2.186 -3.529 1.560 1.00 0.00 N ATOM 81 C5 G A 3 -1.107 -3.943 2.329 1.00 0.00 C ATOM 82 C6 G A 3 0.274 -4.019 2.012 1.00 0.00 C ATOM 83 O6 G A 3 0.837 -3.727 0.951 1.00 0.00 O ATOM 84 N1 G A 3 1.022 -4.490 3.084 1.00 0.00 N ATOM 85 C2 G A 3 0.509 -4.842 4.307 1.00 0.00 C ATOM 86 N2 G A 3 1.394 -5.273 5.216 1.00 0.00 N ATOM 87 N3 G A 3 -0.775 -4.777 4.619 1.00 0.00 N ATOM 88 C4 G A 3 -1.520 -4.322 3.589 1.00 0.00 C ATOM 0 H5' G A 3 -5.919 -4.986 2.025 1.00 0.00 H new ATOM 0 H5'' G A 3 -7.559 -4.819 2.621 1.00 0.00 H new ATOM 0 H4' G A 3 -6.900 -4.474 4.669 1.00 0.00 H new ATOM 0 H3' G A 3 -5.222 -2.248 3.561 1.00 0.00 H new ATOM 0 H2' G A 3 -3.684 -2.343 5.492 1.00 0.00 H new ATOM 0 HO2' G A 3 -5.798 -3.255 6.723 1.00 0.00 H new ATOM 0 H1' G A 3 -3.229 -4.963 5.438 1.00 0.00 H new ATOM 0 H8 G A 3 -4.223 -3.415 2.059 1.00 0.00 H new ATOM 0 H1 G A 3 2.029 -4.581 2.952 1.00 0.00 H new ATOM 0 H21 G A 3 1.077 -5.550 6.145 1.00 0.00 H new ATOM 0 H22 G A 3 2.385 -5.324 4.979 1.00 0.00 H new ATOM 100 P A A 4 -6.744 -0.530 4.619 1.00 0.00 P ATOM 101 OP1 A A 4 -7.912 0.007 5.361 1.00 0.00 O ATOM 102 OP2 A A 4 -6.721 -0.454 3.135 1.00 0.00 O ATOM 103 O5' A A 4 -5.432 0.179 5.178 1.00 0.00 O ATOM 104 C5' A A 4 -4.198 0.106 4.467 1.00 0.00 C ATOM 105 C4' A A 4 -3.059 -0.120 5.433 1.00 0.00 C ATOM 106 O4' A A 4 -2.269 -1.245 4.967 1.00 0.00 O ATOM 107 C3' A A 4 -2.075 1.035 5.565 1.00 0.00 C ATOM 108 O3' A A 4 -2.498 1.949 6.575 1.00 0.00 O ATOM 109 C2' A A 4 -0.767 0.333 5.918 1.00 0.00 C ATOM 110 O2' A A 4 -0.708 0.010 7.295 1.00 0.00 O ATOM 111 C1' A A 4 -0.891 -0.966 5.122 1.00 0.00 C ATOM 112 N9 A A 4 -0.294 -0.927 3.788 1.00 0.00 N ATOM 113 C8 A A 4 -0.969 -0.879 2.597 1.00 0.00 C ATOM 114 N7 A A 4 -0.191 -0.895 1.544 1.00 0.00 N ATOM 115 C5 A A 4 1.088 -0.947 2.078 1.00 0.00 C ATOM 116 C6 A A 4 2.355 -0.989 1.479 1.00 0.00 C ATOM 117 N6 A A 4 2.541 -0.999 0.158 1.00 0.00 N ATOM 118 N1 A A 4 3.433 -1.026 2.291 1.00 0.00 N ATOM 119 C2 A A 4 3.235 -1.024 3.617 1.00 0.00 C ATOM 120 N3 A A 4 2.091 -0.994 4.298 1.00 0.00 N ATOM 121 C4 A A 4 1.042 -0.956 3.460 1.00 0.00 C ATOM 0 H5' A A 4 -4.035 1.028 3.909 1.00 0.00 H new ATOM 0 H5'' A A 4 -4.235 -0.705 3.739 1.00 0.00 H new ATOM 0 H4' A A 4 -3.541 -0.267 6.399 1.00 0.00 H new ATOM 0 H3' A A 4 -1.985 1.644 4.666 1.00 0.00 H new ATOM 0 H2' A A 4 0.113 0.939 5.702 1.00 0.00 H new ATOM 0 HO2' A A 4 0.141 -0.440 7.489 1.00 0.00 H new ATOM 0 H1' A A 4 -0.348 -1.727 5.683 1.00 0.00 H new ATOM 0 H8 A A 4 -2.046 -0.832 2.532 1.00 0.00 H new ATOM 0 H61 A A 4 3.486 -1.030 -0.224 1.00 0.00 H new ATOM 0 H62 A A 4 1.738 -0.976 -0.470 1.00 0.00 H new ATOM 0 H2 A A 4 4.131 -1.051 4.219 1.00 0.00 H new ATOM 133 P G A 5 -2.219 3.524 6.402 1.00 0.00 P ATOM 134 OP1 G A 5 -3.032 4.257 7.407 1.00 0.00 O ATOM 135 OP2 G A 5 -2.362 3.856 4.961 1.00 0.00 O ATOM 136 O5' G A 5 -0.683 3.687 6.791 1.00 0.00 O ATOM 137 C5' G A 5 -0.173 3.152 8.011 1.00 0.00 C ATOM 138 C4' G A 5 1.305 3.435 8.120 1.00 0.00 C ATOM 139 O4' G A 5 2.029 2.383 7.423 1.00 0.00 O ATOM 140 C3' G A 5 1.757 4.740 7.476 1.00 0.00 C ATOM 141 O3' G A 5 1.748 5.802 8.428 1.00 0.00 O ATOM 142 C2' G A 5 3.157 4.411 6.969 1.00 0.00 C ATOM 143 O2' G A 5 4.113 4.468 8.011 1.00 0.00 O ATOM 144 C1' G A 5 2.987 2.953 6.553 1.00 0.00 C ATOM 145 N9 G A 5 2.527 2.760 5.181 1.00 0.00 N ATOM 146 C8 G A 5 1.227 2.709 4.737 1.00 0.00 C ATOM 147 N7 G A 5 1.129 2.453 3.465 1.00 0.00 N ATOM 148 C5 G A 5 2.443 2.361 3.032 1.00 0.00 C ATOM 149 C6 G A 5 2.962 2.109 1.745 1.00 0.00 C ATOM 150 O6 G A 5 2.349 1.868 0.707 1.00 0.00 O ATOM 151 N1 G A 5 4.348 2.136 1.736 1.00 0.00 N ATOM 152 C2 G A 5 5.139 2.339 2.840 1.00 0.00 C ATOM 153 N2 G A 5 6.462 2.305 2.639 1.00 0.00 N ATOM 154 N3 G A 5 4.667 2.559 4.056 1.00 0.00 N ATOM 155 C4 G A 5 3.319 2.562 4.077 1.00 0.00 C ATOM 0 H5' G A 5 -0.350 2.077 8.048 1.00 0.00 H new ATOM 0 H5'' G A 5 -0.699 3.591 8.859 1.00 0.00 H new ATOM 0 H4' G A 5 1.508 3.495 9.189 1.00 0.00 H new ATOM 0 H3' G A 5 1.106 5.087 6.674 1.00 0.00 H new ATOM 0 H2' G A 5 3.502 5.093 6.192 1.00 0.00 H new ATOM 0 HO2' G A 5 4.319 5.404 8.215 1.00 0.00 H new ATOM 0 H1' G A 5 3.969 2.484 6.611 1.00 0.00 H new ATOM 0 H8 G A 5 0.373 2.866 5.379 1.00 0.00 H new ATOM 0 H1 G A 5 4.816 1.994 0.841 1.00 0.00 H new ATOM 0 H21 G A 5 7.101 2.449 3.421 1.00 0.00 H new ATOM 0 H22 G A 5 6.831 2.135 1.704 1.00 0.00 H new ATOM 167 P U A 6 2.384 7.229 8.047 1.00 0.00 P ATOM 168 OP1 U A 6 3.855 7.144 8.231 1.00 0.00 O ATOM 169 OP2 U A 6 1.612 8.264 8.782 1.00 0.00 O ATOM 170 O5' U A 6 2.075 7.390 6.493 1.00 0.00 O ATOM 171 C5' U A 6 0.737 7.540 6.026 1.00 0.00 C ATOM 172 C4' U A 6 0.734 7.964 4.578 1.00 0.00 C ATOM 173 O4' U A 6 1.333 6.927 3.770 1.00 0.00 O ATOM 174 C3' U A 6 -0.648 8.158 3.976 1.00 0.00 C ATOM 175 O3' U A 6 -1.124 9.480 4.209 1.00 0.00 O ATOM 176 C2' U A 6 -0.451 7.872 2.485 1.00 0.00 C ATOM 177 O2' U A 6 -0.188 9.058 1.759 1.00 0.00 O ATOM 178 C1' U A 6 0.809 7.003 2.461 1.00 0.00 C ATOM 179 N1 U A 6 0.523 5.645 1.980 1.00 0.00 N ATOM 180 C2 U A 6 1.299 5.134 0.954 1.00 0.00 C ATOM 181 O2 U A 6 2.237 5.737 0.459 1.00 0.00 O ATOM 182 N3 U A 6 0.936 3.886 0.524 1.00 0.00 N ATOM 183 C4 U A 6 -0.100 3.112 1.004 1.00 0.00 C ATOM 184 O4 U A 6 -0.329 2.018 0.485 1.00 0.00 O ATOM 185 C5 U A 6 -0.835 3.703 2.078 1.00 0.00 C ATOM 186 C6 U A 6 -0.508 4.914 2.522 1.00 0.00 C ATOM 0 H5' U A 6 0.214 8.281 6.630 1.00 0.00 H new ATOM 0 H5'' U A 6 0.198 6.599 6.138 1.00 0.00 H new ATOM 0 H4' U A 6 1.271 8.913 4.573 1.00 0.00 H new ATOM 0 H3' U A 6 -1.399 7.503 4.418 1.00 0.00 H new ATOM 0 H2' U A 6 -1.333 7.414 2.039 1.00 0.00 H new ATOM 0 HO2' U A 6 -0.470 8.941 0.828 1.00 0.00 H new ATOM 0 H1' U A 6 1.526 7.459 1.779 1.00 0.00 H new ATOM 0 H3 U A 6 1.491 3.486 -0.232 1.00 0.00 H new ATOM 0 H5 U A 6 -1.656 3.166 2.529 1.00 0.00 H new ATOM 0 H6 U A 6 -1.073 5.339 3.338 1.00 0.00 H new ATOM 197 P U A 7 -2.678 9.732 4.540 1.00 0.00 P ATOM 198 OP1 U A 7 -2.754 10.312 5.905 1.00 0.00 O ATOM 199 OP2 U A 7 -3.447 8.501 4.220 1.00 0.00 O ATOM 200 O5' U A 7 -3.093 10.859 3.492 1.00 0.00 O ATOM 201 C5' U A 7 -2.856 10.676 2.098 1.00 0.00 C ATOM 202 C4' U A 7 -2.465 11.984 1.449 1.00 0.00 C ATOM 203 O4' U A 7 -1.816 12.837 2.439 1.00 0.00 O ATOM 204 C3' U A 7 -1.442 11.839 0.331 1.00 0.00 C ATOM 205 O3' U A 7 -1.565 12.860 -0.655 1.00 0.00 O ATOM 206 C2' U A 7 -0.121 11.934 1.080 1.00 0.00 C ATOM 207 O2' U A 7 0.918 12.398 0.239 1.00 0.00 O ATOM 208 C1' U A 7 -0.457 13.025 2.087 1.00 0.00 C ATOM 209 N1 U A 7 0.355 12.985 3.312 1.00 0.00 N ATOM 210 C2 U A 7 1.220 14.038 3.546 1.00 0.00 C ATOM 211 O2 U A 7 1.333 14.985 2.786 1.00 0.00 O ATOM 212 N3 U A 7 1.949 13.944 4.703 1.00 0.00 N ATOM 213 C4 U A 7 1.903 12.928 5.631 1.00 0.00 C ATOM 214 O4 U A 7 2.625 12.984 6.626 1.00 0.00 O ATOM 215 C5 U A 7 0.985 11.877 5.318 1.00 0.00 C ATOM 216 C6 U A 7 0.259 11.936 4.197 1.00 0.00 C ATOM 0 H5' U A 7 -3.752 10.280 1.620 1.00 0.00 H new ATOM 0 H5'' U A 7 -2.065 9.940 1.951 1.00 0.00 H new ATOM 0 H4' U A 7 -3.392 12.390 1.045 1.00 0.00 H new ATOM 0 H3' U A 7 -1.558 10.914 -0.234 1.00 0.00 H new ATOM 0 H2' U A 7 0.222 10.984 1.491 1.00 0.00 H new ATOM 0 HO2' U A 7 1.627 11.723 0.193 1.00 0.00 H new ATOM 0 H1' U A 7 -0.252 13.990 1.624 1.00 0.00 H new ATOM 0 H3 U A 7 2.595 14.709 4.897 1.00 0.00 H new ATOM 0 H5 U A 7 0.878 11.036 5.987 1.00 0.00 H new ATOM 0 H6 U A 7 -0.427 11.131 3.978 1.00 0.00 H new ATOM 227 P G A 8 -1.340 12.506 -2.208 1.00 0.00 P ATOM 228 OP1 G A 8 -0.077 13.147 -2.651 1.00 0.00 O ATOM 229 OP2 G A 8 -2.608 12.813 -2.919 1.00 0.00 O ATOM 230 O5' G A 8 -1.135 10.925 -2.230 1.00 0.00 O ATOM 231 C5' G A 8 0.064 10.321 -1.738 1.00 0.00 C ATOM 232 C4' G A 8 -0.062 8.816 -1.775 1.00 0.00 C ATOM 233 O4' G A 8 -1.089 8.424 -0.824 1.00 0.00 O ATOM 234 C3' G A 8 -0.507 8.228 -3.109 1.00 0.00 C ATOM 235 O3' G A 8 -0.010 6.905 -3.297 1.00 0.00 O ATOM 236 C2' G A 8 -2.028 8.259 -3.005 1.00 0.00 C ATOM 237 O2' G A 8 -2.613 7.207 -3.748 1.00 0.00 O ATOM 238 C1' G A 8 -2.240 7.978 -1.517 1.00 0.00 C ATOM 239 N9 G A 8 -3.406 8.653 -0.953 1.00 0.00 N ATOM 240 C8 G A 8 -3.880 9.901 -1.280 1.00 0.00 C ATOM 241 N7 G A 8 -4.948 10.237 -0.612 1.00 0.00 N ATOM 242 C5 G A 8 -5.198 9.145 0.207 1.00 0.00 C ATOM 243 C6 G A 8 -6.228 8.926 1.159 1.00 0.00 C ATOM 244 O6 G A 8 -7.157 9.678 1.478 1.00 0.00 O ATOM 245 N1 G A 8 -6.105 7.682 1.768 1.00 0.00 N ATOM 246 C2 G A 8 -5.121 6.766 1.498 1.00 0.00 C ATOM 247 N2 G A 8 -5.174 5.622 2.192 1.00 0.00 N ATOM 248 N3 G A 8 -4.155 6.955 0.614 1.00 0.00 N ATOM 249 C4 G A 8 -4.254 8.158 0.010 1.00 0.00 C ATOM 0 H5' G A 8 0.256 10.653 -0.718 1.00 0.00 H new ATOM 0 H5'' G A 8 0.915 10.638 -2.342 1.00 0.00 H new ATOM 0 H4' G A 8 0.939 8.443 -1.560 1.00 0.00 H new ATOM 0 H3' G A 8 -0.129 8.781 -3.969 1.00 0.00 H new ATOM 0 H2' G A 8 -2.464 9.186 -3.377 1.00 0.00 H new ATOM 0 HO2' G A 8 -1.952 6.496 -3.885 1.00 0.00 H new ATOM 0 H1' G A 8 -2.411 6.907 -1.408 1.00 0.00 H new ATOM 0 H8 G A 8 -3.414 10.539 -2.016 1.00 0.00 H new ATOM 0 H1 G A 8 -6.801 7.431 2.470 1.00 0.00 H new ATOM 0 H21 G A 8 -4.471 4.899 2.038 1.00 0.00 H new ATOM 0 H22 G A 8 -5.917 5.474 2.875 1.00 0.00 H new ATOM 261 P G A 9 1.432 6.678 -3.976 1.00 0.00 P ATOM 262 OP1 G A 9 2.404 6.459 -2.876 1.00 0.00 O ATOM 263 OP2 G A 9 1.671 7.766 -4.961 1.00 0.00 O ATOM 264 O5' G A 9 1.266 5.307 -4.773 1.00 0.00 O ATOM 265 C5' G A 9 1.945 5.083 -6.009 1.00 0.00 C ATOM 266 C4' G A 9 1.071 4.272 -6.936 1.00 0.00 C ATOM 267 O4' G A 9 0.237 5.188 -7.698 1.00 0.00 O ATOM 268 C3' G A 9 1.801 3.447 -7.989 1.00 0.00 C ATOM 269 O3' G A 9 1.013 2.320 -8.369 1.00 0.00 O ATOM 270 C2' G A 9 1.984 4.451 -9.120 1.00 0.00 C ATOM 271 O2' G A 9 2.065 3.819 -10.384 1.00 0.00 O ATOM 272 C1' G A 9 0.660 5.211 -9.049 1.00 0.00 C ATOM 273 N9 G A 9 0.755 6.602 -9.479 1.00 0.00 N ATOM 274 C8 G A 9 1.286 7.655 -8.775 1.00 0.00 C ATOM 275 N7 G A 9 1.231 8.787 -9.422 1.00 0.00 N ATOM 276 C5 G A 9 0.625 8.461 -10.628 1.00 0.00 C ATOM 277 C6 G A 9 0.295 9.276 -11.742 1.00 0.00 C ATOM 278 O6 G A 9 0.477 10.489 -11.891 1.00 0.00 O ATOM 279 N1 G A 9 -0.308 8.538 -12.755 1.00 0.00 N ATOM 280 C2 G A 9 -0.563 7.191 -12.703 1.00 0.00 C ATOM 281 N2 G A 9 -1.151 6.658 -13.779 1.00 0.00 N ATOM 282 N3 G A 9 -0.262 6.420 -11.673 1.00 0.00 N ATOM 283 C4 G A 9 0.325 7.116 -10.678 1.00 0.00 C ATOM 0 H5' G A 9 2.883 4.559 -5.829 1.00 0.00 H new ATOM 0 H5'' G A 9 2.197 6.036 -6.474 1.00 0.00 H new ATOM 0 H4' G A 9 0.540 3.586 -6.277 1.00 0.00 H new ATOM 0 H3' G A 9 2.748 3.020 -7.659 1.00 0.00 H new ATOM 0 H2' G A 9 2.892 5.045 -9.018 1.00 0.00 H new ATOM 0 HO2' G A 9 2.181 4.497 -11.082 1.00 0.00 H new ATOM 0 H1' G A 9 -0.040 4.724 -9.728 1.00 0.00 H new ATOM 0 H8 G A 9 1.707 7.556 -7.785 1.00 0.00 H new ATOM 0 H1 G A 9 -0.582 9.037 -13.602 1.00 0.00 H new ATOM 0 H21 G A 9 -1.367 5.661 -13.801 1.00 0.00 H new ATOM 0 H22 G A 9 -1.384 7.248 -14.578 1.00 0.00 H new ATOM 295 P G A 10 1.718 1.011 -8.983 1.00 0.00 P ATOM 296 OP1 G A 10 1.795 1.192 -10.455 1.00 0.00 O ATOM 297 OP2 G A 10 1.029 -0.183 -8.427 1.00 0.00 O ATOM 298 O5' G A 10 3.197 1.051 -8.393 1.00 0.00 O ATOM 299 C5' G A 10 4.333 1.103 -9.253 1.00 0.00 C ATOM 300 C4' G A 10 5.482 1.803 -8.561 1.00 0.00 C ATOM 301 O4' G A 10 4.943 2.697 -7.547 1.00 0.00 O ATOM 302 C3' G A 10 6.443 0.886 -7.818 1.00 0.00 C ATOM 303 O3' G A 10 7.765 1.417 -7.808 1.00 0.00 O ATOM 304 C2' G A 10 5.831 0.803 -6.426 1.00 0.00 C ATOM 305 O2' G A 10 6.818 0.590 -5.436 1.00 0.00 O ATOM 306 C1' G A 10 5.267 2.214 -6.258 1.00 0.00 C ATOM 307 N9 G A 10 4.063 2.245 -5.438 1.00 0.00 N ATOM 308 C8 G A 10 2.892 1.566 -5.665 1.00 0.00 C ATOM 309 N7 G A 10 1.998 1.755 -4.735 1.00 0.00 N ATOM 310 C5 G A 10 2.614 2.620 -3.842 1.00 0.00 C ATOM 311 C6 G A 10 2.136 3.183 -2.635 1.00 0.00 C ATOM 312 O6 G A 10 1.030 3.035 -2.105 1.00 0.00 O ATOM 313 N1 G A 10 3.093 3.999 -2.036 1.00 0.00 N ATOM 314 C2 G A 10 4.338 4.256 -2.548 1.00 0.00 C ATOM 315 N2 G A 10 5.113 5.076 -1.831 1.00 0.00 N ATOM 316 N3 G A 10 4.792 3.747 -3.678 1.00 0.00 N ATOM 317 C4 G A 10 3.886 2.939 -4.266 1.00 0.00 C ATOM 0 H5' G A 10 4.078 1.630 -10.173 1.00 0.00 H new ATOM 0 H5'' G A 10 4.630 0.093 -9.536 1.00 0.00 H new ATOM 0 H4' G A 10 6.030 2.299 -9.362 1.00 0.00 H new ATOM 0 H3' G A 10 6.555 -0.095 -8.279 1.00 0.00 H new ATOM 0 H2' G A 10 5.112 -0.010 -6.324 1.00 0.00 H new ATOM 0 HO2' G A 10 6.388 0.493 -4.561 1.00 0.00 H new ATOM 0 H1' G A 10 6.017 2.826 -5.757 1.00 0.00 H new ATOM 0 H8 G A 10 2.728 0.938 -6.528 1.00 0.00 H new ATOM 0 H1 G A 10 2.848 4.439 -1.149 1.00 0.00 H new ATOM 0 H21 G A 10 6.051 5.307 -2.158 1.00 0.00 H new ATOM 0 H22 G A 10 4.766 5.471 -0.957 1.00 0.00 H new ATOM 329 P C A 11 9.013 0.452 -7.497 1.00 0.00 P ATOM 330 OP1 C A 11 10.150 0.918 -8.332 1.00 0.00 O ATOM 331 OP2 C A 11 8.564 -0.961 -7.591 1.00 0.00 O ATOM 332 O5' C A 11 9.356 0.754 -5.971 1.00 0.00 O ATOM 333 C5' C A 11 9.966 1.982 -5.586 1.00 0.00 C ATOM 334 C4' C A 11 10.164 2.018 -4.089 1.00 0.00 C ATOM 335 O4' C A 11 9.074 2.739 -3.462 1.00 0.00 O ATOM 336 C3' C A 11 10.122 0.679 -3.373 1.00 0.00 C ATOM 337 O3' C A 11 11.323 -0.065 -3.543 1.00 0.00 O ATOM 338 C2' C A 11 9.889 1.110 -1.932 1.00 0.00 C ATOM 339 O2' C A 11 11.079 1.604 -1.346 1.00 0.00 O ATOM 340 C1' C A 11 8.918 2.277 -2.130 1.00 0.00 C ATOM 341 N1 C A 11 7.510 1.905 -1.916 1.00 0.00 N ATOM 342 C2 C A 11 6.998 1.941 -0.616 1.00 0.00 C ATOM 343 O2 C A 11 7.740 2.285 0.313 1.00 0.00 O ATOM 344 N3 C A 11 5.707 1.600 -0.407 1.00 0.00 N ATOM 345 C4 C A 11 4.941 1.232 -1.435 1.00 0.00 C ATOM 346 N4 C A 11 3.680 0.893 -1.190 1.00 0.00 N ATOM 347 C5 C A 11 5.433 1.192 -2.764 1.00 0.00 C ATOM 348 C6 C A 11 6.713 1.529 -2.960 1.00 0.00 C ATOM 0 H5' C A 11 9.343 2.820 -5.898 1.00 0.00 H new ATOM 0 H5'' C A 11 10.926 2.094 -6.090 1.00 0.00 H new ATOM 0 H4' C A 11 11.155 2.462 -3.994 1.00 0.00 H new ATOM 0 H3' C A 11 9.359 -0.002 -3.751 1.00 0.00 H new ATOM 0 H2' C A 11 9.539 0.304 -1.287 1.00 0.00 H new ATOM 0 HO2' C A 11 10.900 1.875 -0.421 1.00 0.00 H new ATOM 0 H1' C A 11 9.154 3.043 -1.392 1.00 0.00 H new ATOM 0 H41 C A 11 3.071 0.607 -1.956 1.00 0.00 H new ATOM 0 H42 C A 11 3.321 0.918 -0.235 1.00 0.00 H new ATOM 0 H5 C A 11 4.798 0.900 -3.588 1.00 0.00 H new ATOM 0 H6 C A 11 7.122 1.503 -3.959 1.00 0.00 H new ATOM 360 P U A 12 11.274 -1.673 -3.513 1.00 0.00 P ATOM 361 OP1 U A 12 12.572 -2.167 -4.037 1.00 0.00 O ATOM 362 OP2 U A 12 10.007 -2.119 -4.148 1.00 0.00 O ATOM 363 O5' U A 12 11.201 -2.022 -1.959 1.00 0.00 O ATOM 364 C5' U A 12 12.101 -1.421 -1.032 1.00 0.00 C ATOM 365 C4' U A 12 11.634 -1.664 0.385 1.00 0.00 C ATOM 366 O4' U A 12 10.528 -0.773 0.691 1.00 0.00 O ATOM 367 C3' U A 12 11.066 -3.046 0.664 1.00 0.00 C ATOM 368 O3' U A 12 12.090 -4.009 0.890 1.00 0.00 O ATOM 369 C2' U A 12 10.218 -2.792 1.903 1.00 0.00 C ATOM 370 O2' U A 12 11.025 -2.667 3.058 1.00 0.00 O ATOM 371 C1' U A 12 9.624 -1.425 1.570 1.00 0.00 C ATOM 372 N1 U A 12 8.312 -1.506 0.914 1.00 0.00 N ATOM 373 C2 U A 12 7.186 -1.423 1.713 1.00 0.00 C ATOM 374 O2 U A 12 7.240 -1.280 2.922 1.00 0.00 O ATOM 375 N3 U A 12 5.993 -1.514 1.045 1.00 0.00 N ATOM 376 C4 U A 12 5.814 -1.673 -0.312 1.00 0.00 C ATOM 377 O4 U A 12 4.674 -1.748 -0.768 1.00 0.00 O ATOM 378 C5 U A 12 7.024 -1.744 -1.068 1.00 0.00 C ATOM 379 C6 U A 12 8.204 -1.662 -0.450 1.00 0.00 C ATOM 0 H5' U A 12 12.167 -0.350 -1.222 1.00 0.00 H new ATOM 0 H5'' U A 12 13.102 -1.831 -1.168 1.00 0.00 H new ATOM 0 H4' U A 12 12.536 -1.516 0.978 1.00 0.00 H new ATOM 0 H3' U A 12 10.501 -3.467 -0.168 1.00 0.00 H new ATOM 0 H2' U A 12 9.501 -3.585 2.112 1.00 0.00 H new ATOM 0 HO2' U A 12 10.457 -2.679 3.857 1.00 0.00 H new ATOM 0 H1' U A 12 9.478 -0.884 2.505 1.00 0.00 H new ATOM 0 H3 U A 12 5.147 -1.458 1.613 1.00 0.00 H new ATOM 0 H5 U A 12 6.984 -1.864 -2.141 1.00 0.00 H new ATOM 0 H6 U A 12 9.106 -1.720 -1.041 1.00 0.00 H new ATOM 390 P C A 13 11.744 -5.576 0.792 1.00 0.00 P ATOM 391 OP1 C A 13 12.969 -6.327 1.166 1.00 0.00 O ATOM 392 OP2 C A 13 11.096 -5.832 -0.519 1.00 0.00 O ATOM 393 O5' C A 13 10.653 -5.800 1.934 1.00 0.00 O ATOM 394 C5' C A 13 10.964 -5.555 3.304 1.00 0.00 C ATOM 395 C4' C A 13 9.818 -5.989 4.191 1.00 0.00 C ATOM 396 O4' C A 13 8.744 -5.019 4.127 1.00 0.00 O ATOM 397 C3' C A 13 9.121 -7.281 3.801 1.00 0.00 C ATOM 398 O3' C A 13 9.868 -8.425 4.207 1.00 0.00 O ATOM 399 C2' C A 13 7.786 -7.164 4.534 1.00 0.00 C ATOM 400 O2' C A 13 7.916 -7.531 5.894 1.00 0.00 O ATOM 401 C1' C A 13 7.523 -5.658 4.462 1.00 0.00 C ATOM 402 N1 C A 13 6.505 -5.288 3.462 1.00 0.00 N ATOM 403 C2 C A 13 5.170 -5.161 3.869 1.00 0.00 C ATOM 404 O2 C A 13 4.880 -5.366 5.057 1.00 0.00 O ATOM 405 N3 C A 13 4.232 -4.820 2.957 1.00 0.00 N ATOM 406 C4 C A 13 4.580 -4.609 1.688 1.00 0.00 C ATOM 407 N4 C A 13 3.620 -4.265 0.828 1.00 0.00 N ATOM 408 C5 C A 13 5.929 -4.738 1.244 1.00 0.00 C ATOM 409 C6 C A 13 6.851 -5.074 2.157 1.00 0.00 C ATOM 0 H5' C A 13 11.166 -4.494 3.453 1.00 0.00 H new ATOM 0 H5'' C A 13 11.870 -6.094 3.580 1.00 0.00 H new ATOM 0 H4' C A 13 10.302 -6.105 5.161 1.00 0.00 H new ATOM 0 H3' C A 13 9.006 -7.412 2.725 1.00 0.00 H new ATOM 0 H2' C A 13 7.008 -7.798 4.109 1.00 0.00 H new ATOM 0 HO2' C A 13 7.048 -7.446 6.340 1.00 0.00 H new ATOM 0 H1' C A 13 7.140 -5.342 5.432 1.00 0.00 H new ATOM 0 H41 C A 13 3.849 -4.096 -0.151 1.00 0.00 H new ATOM 0 H42 C A 13 2.657 -4.171 1.150 1.00 0.00 H new ATOM 0 H5 C A 13 6.198 -4.571 0.211 1.00 0.00 H new ATOM 0 H6 C A 13 7.883 -5.177 1.857 1.00 0.00 H new ATOM 421 P U A 14 9.551 -9.856 3.548 1.00 0.00 P ATOM 422 OP1 U A 14 10.434 -10.868 4.182 1.00 0.00 O ATOM 423 OP2 U A 14 9.576 -9.684 2.073 1.00 0.00 O ATOM 424 O5' U A 14 8.048 -10.155 3.985 1.00 0.00 O ATOM 425 C5' U A 14 7.721 -10.447 5.343 1.00 0.00 C ATOM 426 C4' U A 14 6.341 -11.054 5.426 1.00 0.00 C ATOM 427 O4' U A 14 5.350 -10.000 5.298 1.00 0.00 O ATOM 428 C3' U A 14 6.001 -12.038 4.316 1.00 0.00 C ATOM 429 O3' U A 14 6.462 -13.349 4.631 1.00 0.00 O ATOM 430 C2' U A 14 4.481 -11.945 4.242 1.00 0.00 C ATOM 431 O2' U A 14 3.864 -12.697 5.269 1.00 0.00 O ATOM 432 C1' U A 14 4.256 -10.459 4.524 1.00 0.00 C ATOM 433 N1 U A 14 4.167 -9.631 3.313 1.00 0.00 N ATOM 434 C2 U A 14 2.914 -9.429 2.760 1.00 0.00 C ATOM 435 O2 U A 14 1.898 -9.917 3.221 1.00 0.00 O ATOM 436 N3 U A 14 2.897 -8.633 1.642 1.00 0.00 N ATOM 437 C4 U A 14 3.979 -8.033 1.034 1.00 0.00 C ATOM 438 O4 U A 14 3.804 -7.335 0.036 1.00 0.00 O ATOM 439 C5 U A 14 5.234 -8.296 1.661 1.00 0.00 C ATOM 440 C6 U A 14 5.290 -9.067 2.749 1.00 0.00 C ATOM 0 H5' U A 14 7.762 -9.535 5.939 1.00 0.00 H new ATOM 0 H5'' U A 14 8.455 -11.135 5.762 1.00 0.00 H new ATOM 0 H4' U A 14 6.332 -11.580 6.380 1.00 0.00 H new ATOM 0 H3' U A 14 6.477 -11.813 3.362 1.00 0.00 H new ATOM 0 H2' U A 14 4.075 -12.317 3.301 1.00 0.00 H new ATOM 0 HO2' U A 14 3.364 -13.441 4.874 1.00 0.00 H new ATOM 0 H1' U A 14 3.300 -10.365 5.038 1.00 0.00 H new ATOM 0 H3 U A 14 1.986 -8.468 1.215 1.00 0.00 H new ATOM 0 H5 U A 14 6.140 -7.871 1.254 1.00 0.00 H new ATOM 0 H6 U A 14 6.251 -9.256 3.204 1.00 0.00 H new ATOM 451 P C A 15 6.938 -14.334 3.452 1.00 0.00 P ATOM 452 OP1 C A 15 7.747 -15.413 4.075 1.00 0.00 O ATOM 453 OP2 C A 15 7.521 -13.521 2.354 1.00 0.00 O ATOM 454 O5' C A 15 5.581 -14.980 2.923 1.00 0.00 O ATOM 455 C5' C A 15 4.726 -15.709 3.799 1.00 0.00 C ATOM 456 C4' C A 15 3.333 -15.779 3.224 1.00 0.00 C ATOM 457 O4' C A 15 2.794 -14.437 3.139 1.00 0.00 O ATOM 458 C3' C A 15 3.241 -16.311 1.801 1.00 0.00 C ATOM 459 O3' C A 15 3.205 -17.739 1.760 1.00 0.00 O ATOM 460 C2' C A 15 1.946 -15.688 1.292 1.00 0.00 C ATOM 461 O2' C A 15 0.819 -16.430 1.717 1.00 0.00 O ATOM 462 C1' C A 15 1.940 -14.339 2.015 1.00 0.00 C ATOM 463 N1 C A 15 2.396 -13.217 1.178 1.00 0.00 N ATOM 464 C2 C A 15 1.442 -12.474 0.483 1.00 0.00 C ATOM 465 O2 C A 15 0.248 -12.784 0.592 1.00 0.00 O ATOM 466 N3 C A 15 1.841 -11.438 -0.289 1.00 0.00 N ATOM 467 C4 C A 15 3.136 -11.133 -0.374 1.00 0.00 C ATOM 468 N4 C A 15 3.483 -10.103 -1.147 1.00 0.00 N ATOM 469 C5 C A 15 4.133 -11.871 0.328 1.00 0.00 C ATOM 470 C6 C A 15 3.722 -12.899 1.083 1.00 0.00 C ATOM 0 H5' C A 15 4.700 -15.229 4.777 1.00 0.00 H new ATOM 0 H5'' C A 15 5.117 -16.715 3.948 1.00 0.00 H new ATOM 0 H4' C A 15 2.799 -16.457 3.890 1.00 0.00 H new ATOM 0 H3' C A 15 4.108 -16.054 1.192 1.00 0.00 H new ATOM 0 H2' C A 15 1.898 -15.637 0.204 1.00 0.00 H new ATOM 0 HO2' C A 15 1.103 -17.325 1.997 1.00 0.00 H new ATOM 0 HO3' C A 15 3.144 -18.038 0.829 1.00 0.00 H new ATOM 0 H1' C A 15 0.908 -14.127 2.293 1.00 0.00 H new ATOM 0 H41 C A 15 4.465 -9.840 -1.236 1.00 0.00 H new ATOM 0 H42 C A 15 2.767 -9.578 -1.649 1.00 0.00 H new ATOM 0 H5 C A 15 5.179 -11.612 0.254 1.00 0.00 H new ATOM 0 H6 C A 15 4.450 -13.485 1.625 1.00 0.00 H new TER 483 C A 15