USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 155 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 13 G O2' : rot -5:sc= -4.48! USER MOD Single : A 13 G O5' : rot 10:sc= -1.53! USER MOD Single : A 14 G O2' : rot -15:sc= -0.0347 USER MOD Single : A 15 C O2' : rot -6:sc= -2.07! USER MOD Single : A 16 A O2' : rot -3:sc= -5.46! USER MOD Single : A 17 C O2' : rot -11:sc= -3.42! USER MOD Single : A 18 U O2' : rot 175:sc= -6.95! USER MOD Single : A 19 G O2' : rot -13:sc= 0.179 USER MOD Single : A 19 G O3' : rot 180:sc= 0.158 USER MOD Single : B 59 C O2' : rot -9:sc= -1.95! USER MOD Single : B 59 C O5' : rot 50:sc= -3.26! USER MOD Single : B 60 A O2' : rot -17:sc= 0.196 USER MOD Single : B 61 G O2' : rot -147:sc= -2.13! USER MOD Single : B 62 U O2' : rot -14:sc= -2.46! USER MOD Single : B 63 G O2' : rot -5:sc= -0.367 USER MOD Single : B 64 U O2' : rot -5:sc= -0.205 USER MOD Single : B 65 C O2' : rot -20:sc= 0.152 USER MOD Single : B 65 C O3' : rot 180:sc= 0.174 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 4.916 -7.289 -5.256 1.00 0.00 O ATOM 2 C5' G A 13 5.155 -7.982 -6.484 1.00 0.00 C ATOM 3 C4' G A 13 3.937 -8.790 -6.918 1.00 0.00 C ATOM 4 O4' G A 13 3.657 -9.850 -5.990 1.00 0.00 O ATOM 5 C3' G A 13 2.685 -7.918 -6.949 1.00 0.00 C ATOM 6 O3' G A 13 2.432 -7.520 -8.298 1.00 0.00 O ATOM 7 C2' G A 13 1.592 -8.877 -6.521 1.00 0.00 C ATOM 8 O2' G A 13 1.130 -9.677 -7.616 1.00 0.00 O ATOM 9 C1' G A 13 2.321 -9.707 -5.486 1.00 0.00 C ATOM 10 N9 G A 13 2.316 -9.027 -4.178 1.00 0.00 N ATOM 11 C8 G A 13 3.065 -7.983 -3.747 1.00 0.00 C ATOM 12 N7 G A 13 2.855 -7.548 -2.551 1.00 0.00 N ATOM 13 C5 G A 13 1.836 -8.400 -2.115 1.00 0.00 C ATOM 14 C6 G A 13 1.156 -8.440 -0.869 1.00 0.00 C ATOM 15 O6 G A 13 1.318 -7.719 0.114 1.00 0.00 O ATOM 16 N1 G A 13 0.202 -9.449 -0.844 1.00 0.00 N ATOM 17 C2 G A 13 -0.068 -10.316 -1.884 1.00 0.00 C ATOM 18 N2 G A 13 -1.025 -11.218 -1.665 1.00 0.00 N ATOM 19 N3 G A 13 0.568 -10.287 -3.058 1.00 0.00 N ATOM 20 C4 G A 13 1.502 -9.311 -3.107 1.00 0.00 C ATOM 0 H5' G A 13 6.011 -8.647 -6.367 1.00 0.00 H new ATOM 0 H5'' G A 13 5.413 -7.265 -7.263 1.00 0.00 H new ATOM 0 H4' G A 13 4.172 -9.185 -7.907 1.00 0.00 H new ATOM 0 H3' G A 13 2.760 -7.024 -6.330 1.00 0.00 H new ATOM 0 H2' G A 13 0.690 -8.391 -6.149 1.00 0.00 H new ATOM 0 HO2' G A 13 1.562 -9.379 -8.444 1.00 0.00 H new ATOM 0 HO5' G A 13 4.072 -7.597 -4.865 1.00 0.00 H new ATOM 0 H1' G A 13 1.846 -10.676 -5.329 1.00 0.00 H new ATOM 0 H8 G A 13 3.812 -7.531 -4.383 1.00 0.00 H new ATOM 0 H1 G A 13 -0.343 -9.558 0.011 1.00 0.00 H new ATOM 0 H21 G A 13 -1.272 -11.887 -2.394 1.00 0.00 H new ATOM 0 H22 G A 13 -1.511 -11.239 -0.768 1.00 0.00 H new ATOM 33 P G A 14 1.498 -6.244 -8.601 1.00 0.00 P ATOM 34 OP1 G A 14 1.372 -6.101 -10.069 1.00 0.00 O ATOM 35 OP2 G A 14 1.985 -5.109 -7.787 1.00 0.00 O ATOM 36 O5' G A 14 0.070 -6.708 -8.016 1.00 0.00 O ATOM 37 C5' G A 14 -0.640 -7.789 -8.623 1.00 0.00 C ATOM 38 C4' G A 14 -2.072 -7.892 -8.105 1.00 0.00 C ATOM 39 O4' G A 14 -2.150 -8.571 -6.840 1.00 0.00 O ATOM 40 C3' G A 14 -2.667 -6.524 -7.835 1.00 0.00 C ATOM 41 O3' G A 14 -3.219 -5.990 -9.041 1.00 0.00 O ATOM 42 C2' G A 14 -3.798 -6.881 -6.896 1.00 0.00 C ATOM 43 O2' G A 14 -4.900 -7.467 -7.600 1.00 0.00 O ATOM 44 C1' G A 14 -3.107 -7.895 -5.999 1.00 0.00 C ATOM 45 N9 G A 14 -2.447 -7.240 -4.859 1.00 0.00 N ATOM 46 C8 G A 14 -1.205 -6.705 -4.753 1.00 0.00 C ATOM 47 N7 G A 14 -0.854 -6.242 -3.601 1.00 0.00 N ATOM 48 C5 G A 14 -1.997 -6.491 -2.836 1.00 0.00 C ATOM 49 C6 G A 14 -2.253 -6.214 -1.470 1.00 0.00 C ATOM 50 O6 G A 14 -1.505 -5.692 -0.651 1.00 0.00 O ATOM 51 N1 G A 14 -3.532 -6.623 -1.098 1.00 0.00 N ATOM 52 C2 G A 14 -4.447 -7.223 -1.932 1.00 0.00 C ATOM 53 N2 G A 14 -5.625 -7.531 -1.390 1.00 0.00 N ATOM 54 N3 G A 14 -4.212 -7.488 -3.219 1.00 0.00 N ATOM 55 C4 G A 14 -2.975 -7.098 -3.602 1.00 0.00 C ATOM 0 H5' G A 14 -0.115 -8.724 -8.427 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.654 -7.652 -9.704 1.00 0.00 H new ATOM 0 H4' G A 14 -2.606 -8.433 -8.886 1.00 0.00 H new ATOM 0 H3' G A 14 -1.957 -5.791 -7.451 1.00 0.00 H new ATOM 0 H2' G A 14 -4.235 -6.033 -6.369 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.803 -7.296 -8.560 1.00 0.00 H new ATOM 0 H1' G A 14 -3.822 -8.595 -5.566 1.00 0.00 H new ATOM 0 H8 G A 14 -0.536 -6.668 -5.600 1.00 0.00 H new ATOM 0 H1 G A 14 -3.812 -6.465 -0.130 1.00 0.00 H new ATOM 0 H21 G A 14 -6.346 -7.978 -1.957 1.00 0.00 H new ATOM 0 H22 G A 14 -5.806 -7.320 -0.409 1.00 0.00 H new ATOM 67 P C A 15 -3.320 -4.393 -9.225 1.00 0.00 P ATOM 68 OP1 C A 15 -4.035 -4.113 -10.490 1.00 0.00 O ATOM 69 OP2 C A 15 -1.981 -3.810 -8.984 1.00 0.00 O ATOM 70 O5' C A 15 -4.278 -3.989 -7.999 1.00 0.00 O ATOM 71 C5' C A 15 -5.661 -4.333 -8.033 1.00 0.00 C ATOM 72 C4' C A 15 -6.310 -4.216 -6.657 1.00 0.00 C ATOM 73 O4' C A 15 -5.643 -5.028 -5.689 1.00 0.00 O ATOM 74 C3' C A 15 -6.207 -2.823 -6.076 1.00 0.00 C ATOM 75 O3' C A 15 -7.232 -1.992 -6.621 1.00 0.00 O ATOM 76 C2' C A 15 -6.536 -3.106 -4.626 1.00 0.00 C ATOM 77 O2' C A 15 -7.943 -3.282 -4.430 1.00 0.00 O ATOM 78 C1' C A 15 -5.771 -4.405 -4.395 1.00 0.00 C ATOM 79 N1 C A 15 -4.457 -4.125 -3.780 1.00 0.00 N ATOM 80 C2 C A 15 -4.440 -3.903 -2.414 1.00 0.00 C ATOM 81 O2 C A 15 -5.492 -3.904 -1.778 1.00 0.00 O ATOM 82 N3 C A 15 -3.244 -3.670 -1.812 1.00 0.00 N ATOM 83 C4 C A 15 -2.109 -3.656 -2.520 1.00 0.00 C ATOM 84 N4 C A 15 -0.956 -3.429 -1.892 1.00 0.00 N ATOM 85 C5 C A 15 -2.120 -3.881 -3.931 1.00 0.00 C ATOM 86 C6 C A 15 -3.309 -4.106 -4.518 1.00 0.00 C ATOM 0 H5' C A 15 -5.773 -5.353 -8.402 1.00 0.00 H new ATOM 0 H5'' C A 15 -6.180 -3.681 -8.736 1.00 0.00 H new ATOM 0 H4' C A 15 -7.345 -4.513 -6.829 1.00 0.00 H new ATOM 0 H3' C A 15 -5.255 -2.324 -6.258 1.00 0.00 H new ATOM 0 H2' C A 15 -6.266 -2.301 -3.942 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.417 -3.082 -5.264 1.00 0.00 H new ATOM 0 H1' C A 15 -6.291 -5.070 -3.705 1.00 0.00 H new ATOM 0 H41 C A 15 -0.083 -3.415 -2.419 1.00 0.00 H new ATOM 0 H42 C A 15 -0.947 -3.269 -0.885 1.00 0.00 H new ATOM 0 H5 C A 15 -1.206 -3.871 -4.506 1.00 0.00 H new ATOM 0 H6 C A 15 -3.356 -4.273 -5.584 1.00 0.00 H new ATOM 98 P A A 16 -7.103 -0.390 -6.520 1.00 0.00 P ATOM 99 OP1 A A 16 -8.330 0.211 -7.090 1.00 0.00 O ATOM 100 OP2 A A 16 -5.777 0.002 -7.046 1.00 0.00 O ATOM 101 O5' A A 16 -7.110 -0.136 -4.927 1.00 0.00 O ATOM 102 C5' A A 16 -8.298 -0.365 -4.168 1.00 0.00 C ATOM 103 C4' A A 16 -8.061 -0.235 -2.663 1.00 0.00 C ATOM 104 O4' A A 16 -7.068 -1.150 -2.188 1.00 0.00 O ATOM 105 C3' A A 16 -7.511 1.128 -2.292 1.00 0.00 C ATOM 106 O3' A A 16 -8.593 2.047 -2.143 1.00 0.00 O ATOM 107 C2' A A 16 -6.925 0.852 -0.924 1.00 0.00 C ATOM 108 O2' A A 16 -7.936 0.849 0.091 1.00 0.00 O ATOM 109 C1' A A 16 -6.327 -0.529 -1.115 1.00 0.00 C ATOM 110 N9 A A 16 -4.891 -0.437 -1.433 1.00 0.00 N ATOM 111 C8 A A 16 -4.247 -0.633 -2.601 1.00 0.00 C ATOM 112 N7 A A 16 -2.959 -0.594 -2.591 1.00 0.00 N ATOM 113 C5 A A 16 -2.703 -0.330 -1.247 1.00 0.00 C ATOM 114 C6 A A 16 -1.521 -0.157 -0.526 1.00 0.00 C ATOM 115 N6 A A 16 -0.312 -0.280 -1.081 1.00 0.00 N ATOM 116 N1 A A 16 -1.637 0.104 0.790 1.00 0.00 N ATOM 117 C2 A A 16 -2.850 0.182 1.354 1.00 0.00 C ATOM 118 N3 A A 16 -4.021 0.028 0.764 1.00 0.00 N ATOM 119 C4 A A 16 -3.878 -0.226 -0.541 1.00 0.00 C ATOM 0 H5' A A 16 -8.680 -1.362 -4.388 1.00 0.00 H new ATOM 0 H5'' A A 16 -9.065 0.346 -4.475 1.00 0.00 H new ATOM 0 H4' A A 16 -9.039 -0.425 -2.221 1.00 0.00 H new ATOM 0 H3' A A 16 -6.813 1.544 -3.018 1.00 0.00 H new ATOM 0 H2' A A 16 -6.207 1.603 -0.594 1.00 0.00 H new ATOM 0 HO2' A A 16 -8.801 1.078 -0.308 1.00 0.00 H new ATOM 0 H1' A A 16 -6.401 -1.123 -0.204 1.00 0.00 H new ATOM 0 H8 A A 16 -4.792 -0.817 -3.515 1.00 0.00 H new ATOM 0 H61 A A 16 0.525 -0.144 -0.515 1.00 0.00 H new ATOM 0 H62 A A 16 -0.226 -0.509 -2.071 1.00 0.00 H new ATOM 0 H2 A A 16 -2.872 0.395 2.412 1.00 0.00 H new ATOM 131 P C A 17 -8.306 3.630 -2.162 1.00 0.00 P ATOM 132 OP1 C A 17 -9.583 4.336 -1.915 1.00 0.00 O ATOM 133 OP2 C A 17 -7.510 3.943 -3.369 1.00 0.00 O ATOM 134 O5' C A 17 -7.363 3.821 -0.869 1.00 0.00 O ATOM 135 C5' C A 17 -7.851 3.484 0.432 1.00 0.00 C ATOM 136 C4' C A 17 -6.776 3.635 1.505 1.00 0.00 C ATOM 137 O4' C A 17 -5.724 2.684 1.370 1.00 0.00 O ATOM 138 C3' C A 17 -6.089 4.977 1.422 1.00 0.00 C ATOM 139 O3' C A 17 -6.873 5.933 2.139 1.00 0.00 O ATOM 140 C2' C A 17 -4.809 4.723 2.193 1.00 0.00 C ATOM 141 O2' C A 17 -5.008 4.879 3.604 1.00 0.00 O ATOM 142 C1' C A 17 -4.493 3.274 1.831 1.00 0.00 C ATOM 143 N1 C A 17 -3.467 3.204 0.785 1.00 0.00 N ATOM 144 C2 C A 17 -2.146 3.182 1.183 1.00 0.00 C ATOM 145 O2 C A 17 -1.866 3.250 2.377 1.00 0.00 O ATOM 146 N3 C A 17 -1.186 3.086 0.220 1.00 0.00 N ATOM 147 C4 C A 17 -1.524 3.016 -1.076 1.00 0.00 C ATOM 148 N4 C A 17 -0.572 2.910 -2.003 1.00 0.00 N ATOM 149 C5 C A 17 -2.896 3.044 -1.475 1.00 0.00 C ATOM 150 C6 C A 17 -3.819 3.138 -0.523 1.00 0.00 C ATOM 0 H5' C A 17 -8.216 2.457 0.427 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.700 4.123 0.677 1.00 0.00 H new ATOM 0 H4' C A 17 -7.314 3.500 2.443 1.00 0.00 H new ATOM 0 H3' C A 17 -5.938 5.346 0.408 1.00 0.00 H new ATOM 0 H2' C A 17 -4.007 5.418 1.946 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.884 5.287 3.768 1.00 0.00 H new ATOM 0 H1' C A 17 -4.100 2.739 2.696 1.00 0.00 H new ATOM 0 H41 C A 17 -0.825 2.856 -2.990 1.00 0.00 H new ATOM 0 H42 C A 17 0.409 2.882 -1.726 1.00 0.00 H new ATOM 0 H5 C A 17 -3.174 2.990 -2.517 1.00 0.00 H new ATOM 0 H6 C A 17 -4.864 3.162 -0.795 1.00 0.00 H new ATOM 162 P U A 18 -6.845 7.486 1.723 1.00 0.00 P ATOM 163 OP1 U A 18 -7.697 8.235 2.673 1.00 0.00 O ATOM 164 OP2 U A 18 -7.098 7.582 0.268 1.00 0.00 O ATOM 165 O5' U A 18 -5.312 7.887 1.996 1.00 0.00 O ATOM 166 C5' U A 18 -4.744 7.752 3.301 1.00 0.00 C ATOM 167 C4' U A 18 -3.265 8.114 3.300 1.00 0.00 C ATOM 168 O4' U A 18 -2.477 7.080 2.716 1.00 0.00 O ATOM 169 C3' U A 18 -3.023 9.349 2.451 1.00 0.00 C ATOM 170 O3' U A 18 -2.835 10.468 3.320 1.00 0.00 O ATOM 171 C2' U A 18 -1.717 9.102 1.720 1.00 0.00 C ATOM 172 O2' U A 18 -0.688 9.982 2.173 1.00 0.00 O ATOM 173 C1' U A 18 -1.368 7.651 2.013 1.00 0.00 C ATOM 174 N1 U A 18 -1.111 6.947 0.751 1.00 0.00 N ATOM 175 C2 U A 18 0.205 6.809 0.360 1.00 0.00 C ATOM 176 O2 U A 18 1.138 7.235 1.040 1.00 0.00 O ATOM 177 N3 U A 18 0.416 6.170 -0.845 1.00 0.00 N ATOM 178 C4 U A 18 -0.563 5.660 -1.681 1.00 0.00 C ATOM 179 O4 U A 18 -0.255 5.110 -2.736 1.00 0.00 O ATOM 180 C5 U A 18 -1.915 5.848 -1.188 1.00 0.00 C ATOM 181 C6 U A 18 -2.140 6.478 -0.010 1.00 0.00 C ATOM 0 H5' U A 18 -4.870 6.727 3.651 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.278 8.395 4.001 1.00 0.00 H new ATOM 0 H4' U A 18 -2.986 8.275 4.341 1.00 0.00 H new ATOM 0 H3' U A 18 -3.852 9.541 1.769 1.00 0.00 H new ATOM 0 H2' U A 18 -1.813 9.291 0.651 1.00 0.00 H new ATOM 0 HO2' U A 18 0.159 9.745 1.740 1.00 0.00 H new ATOM 0 H1' U A 18 -0.468 7.569 2.623 1.00 0.00 H new ATOM 0 H3 U A 18 1.384 6.063 -1.148 1.00 0.00 H new ATOM 0 H5 U A 18 -2.750 5.482 -1.766 1.00 0.00 H new ATOM 0 H6 U A 18 -3.155 6.611 0.333 1.00 0.00 H new ATOM 192 P G A 19 -2.771 11.963 2.725 1.00 0.00 P ATOM 193 OP1 G A 19 -3.073 12.914 3.817 1.00 0.00 O ATOM 194 OP2 G A 19 -3.557 12.000 1.471 1.00 0.00 O ATOM 195 O5' G A 19 -1.207 12.097 2.349 1.00 0.00 O ATOM 196 C5' G A 19 -0.230 12.117 3.398 1.00 0.00 C ATOM 197 C4' G A 19 1.200 11.924 2.884 1.00 0.00 C ATOM 198 O4' G A 19 1.410 10.620 2.357 1.00 0.00 O ATOM 199 C3' G A 19 1.531 12.844 1.729 1.00 0.00 C ATOM 200 O3' G A 19 1.816 14.175 2.174 1.00 0.00 O ATOM 201 C2' G A 19 2.768 12.159 1.160 1.00 0.00 C ATOM 202 O2' G A 19 3.960 12.580 1.835 1.00 0.00 O ATOM 203 C1' G A 19 2.483 10.678 1.404 1.00 0.00 C ATOM 204 N9 G A 19 2.120 10.011 0.141 1.00 0.00 N ATOM 205 C8 G A 19 0.900 9.687 -0.336 1.00 0.00 C ATOM 206 N7 G A 19 0.839 9.068 -1.466 1.00 0.00 N ATOM 207 C5 G A 19 2.189 8.964 -1.804 1.00 0.00 C ATOM 208 C6 G A 19 2.798 8.379 -2.945 1.00 0.00 C ATOM 209 O6 G A 19 2.256 7.823 -3.898 1.00 0.00 O ATOM 210 N1 G A 19 4.180 8.489 -2.896 1.00 0.00 N ATOM 211 C2 G A 19 4.897 9.089 -1.879 1.00 0.00 C ATOM 212 N2 G A 19 6.222 9.112 -2.025 1.00 0.00 N ATOM 213 N3 G A 19 4.332 9.639 -0.798 1.00 0.00 N ATOM 214 C4 G A 19 2.983 9.543 -0.824 1.00 0.00 C ATOM 0 H5' G A 19 -0.461 11.332 4.118 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.295 13.066 3.930 1.00 0.00 H new ATOM 0 H4' G A 19 1.821 12.124 3.757 1.00 0.00 H new ATOM 0 H3' G A 19 0.721 12.975 1.012 1.00 0.00 H new ATOM 0 H2' G A 19 2.942 12.395 0.110 1.00 0.00 H new ATOM 0 HO2' G A 19 3.767 13.375 2.374 1.00 0.00 H new ATOM 0 HO3' G A 19 2.027 14.740 1.402 1.00 0.00 H new ATOM 0 H1' G A 19 3.361 10.159 1.788 1.00 0.00 H new ATOM 0 H8 G A 19 0.003 9.938 0.211 1.00 0.00 H new ATOM 0 H1 G A 19 4.710 8.095 -3.674 1.00 0.00 H new ATOM 0 H21 G A 19 6.807 9.541 -1.308 1.00 0.00 H new ATOM 0 H22 G A 19 6.651 8.700 -2.854 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.463 4.716 -7.995 1.00 0.00 O ATOM 229 C5' C B 59 9.884 4.633 -8.073 1.00 0.00 C ATOM 230 C4' C B 59 10.578 5.576 -7.083 1.00 0.00 C ATOM 231 O4' C B 59 10.136 6.937 -7.253 1.00 0.00 O ATOM 232 C3' C B 59 10.238 5.221 -5.637 1.00 0.00 C ATOM 233 O3' C B 59 11.291 4.416 -5.102 1.00 0.00 O ATOM 234 C2' C B 59 10.271 6.571 -4.949 1.00 0.00 C ATOM 235 O2' C B 59 11.612 6.992 -4.670 1.00 0.00 O ATOM 236 C1' C B 59 9.622 7.435 -6.004 1.00 0.00 C ATOM 237 N1 C B 59 8.157 7.297 -5.949 1.00 0.00 N ATOM 238 C2 C B 59 7.478 7.907 -4.906 1.00 0.00 C ATOM 239 O2 C B 59 8.094 8.561 -4.068 1.00 0.00 O ATOM 240 N3 C B 59 6.126 7.744 -4.840 1.00 0.00 N ATOM 241 C4 C B 59 5.476 7.015 -5.761 1.00 0.00 C ATOM 242 N4 C B 59 4.153 6.878 -5.677 1.00 0.00 N ATOM 243 C5 C B 59 6.187 6.388 -6.832 1.00 0.00 C ATOM 244 C6 C B 59 7.508 6.562 -6.882 1.00 0.00 C ATOM 0 H5' C B 59 10.205 4.874 -9.086 1.00 0.00 H new ATOM 0 H5'' C B 59 10.197 3.608 -7.875 1.00 0.00 H new ATOM 0 H4' C B 59 11.645 5.471 -7.282 1.00 0.00 H new ATOM 0 H3' C B 59 9.297 4.684 -5.523 1.00 0.00 H new ATOM 0 H2' C B 59 9.779 6.596 -3.977 1.00 0.00 H new ATOM 0 HO2' C B 59 12.232 6.256 -4.858 1.00 0.00 H new ATOM 0 HO5' C B 59 8.188 5.656 -8.032 1.00 0.00 H new ATOM 0 H1' C B 59 9.840 8.494 -5.866 1.00 0.00 H new ATOM 0 H41 C B 59 3.652 6.326 -6.373 1.00 0.00 H new ATOM 0 H42 C B 59 3.641 7.326 -4.917 1.00 0.00 H new ATOM 0 H5 C B 59 5.672 5.795 -7.574 1.00 0.00 H new ATOM 0 H6 C B 59 8.072 6.107 -7.683 1.00 0.00 H new ATOM 257 P A B 60 10.975 3.321 -3.966 1.00 0.00 P ATOM 258 OP1 A B 60 12.251 2.694 -3.557 1.00 0.00 O ATOM 259 OP2 A B 60 9.856 2.475 -4.438 1.00 0.00 O ATOM 260 O5' A B 60 10.443 4.228 -2.745 1.00 0.00 O ATOM 261 C5' A B 60 11.283 5.230 -2.168 1.00 0.00 C ATOM 262 C4' A B 60 10.583 5.962 -1.026 1.00 0.00 C ATOM 263 O4' A B 60 9.633 6.926 -1.505 1.00 0.00 O ATOM 264 C3' A B 60 9.767 5.006 -0.178 1.00 0.00 C ATOM 265 O3' A B 60 10.616 4.430 0.823 1.00 0.00 O ATOM 266 C2' A B 60 8.793 5.959 0.483 1.00 0.00 C ATOM 267 O2' A B 60 9.409 6.681 1.557 1.00 0.00 O ATOM 268 C1' A B 60 8.450 6.879 -0.683 1.00 0.00 C ATOM 269 N9 A B 60 7.288 6.364 -1.439 1.00 0.00 N ATOM 270 C8 A B 60 7.240 5.625 -2.578 1.00 0.00 C ATOM 271 N7 A B 60 6.074 5.291 -3.023 1.00 0.00 N ATOM 272 C5 A B 60 5.232 5.875 -2.072 1.00 0.00 C ATOM 273 C6 A B 60 3.839 5.912 -1.934 1.00 0.00 C ATOM 274 N6 A B 60 3.005 5.315 -2.791 1.00 0.00 N ATOM 275 N1 A B 60 3.340 6.583 -0.879 1.00 0.00 N ATOM 276 C2 A B 60 4.160 7.182 -0.010 1.00 0.00 C ATOM 277 N3 A B 60 5.487 7.206 -0.044 1.00 0.00 N ATOM 278 C4 A B 60 5.963 6.530 -1.108 1.00 0.00 C ATOM 0 H5' A B 60 11.575 5.947 -2.936 1.00 0.00 H new ATOM 0 H5'' A B 60 12.199 4.769 -1.798 1.00 0.00 H new ATOM 0 H4' A B 60 11.385 6.437 -0.461 1.00 0.00 H new ATOM 0 H3' A B 60 9.302 4.187 -0.727 1.00 0.00 H new ATOM 0 H2' A B 60 7.932 5.473 0.942 1.00 0.00 H new ATOM 0 HO2' A B 60 10.235 6.227 1.825 1.00 0.00 H new ATOM 0 H1' A B 60 8.168 7.875 -0.340 1.00 0.00 H new ATOM 0 H8 A B 60 8.142 5.328 -3.092 1.00 0.00 H new ATOM 0 H61 A B 60 1.997 5.372 -2.645 1.00 0.00 H new ATOM 0 H62 A B 60 3.377 4.802 -3.591 1.00 0.00 H new ATOM 0 H2 A B 60 3.691 7.704 0.811 1.00 0.00 H new ATOM 290 P G B 61 10.483 2.865 1.190 1.00 0.00 P ATOM 291 OP1 G B 61 11.657 2.481 2.005 1.00 0.00 O ATOM 292 OP2 G B 61 10.172 2.122 -0.052 1.00 0.00 O ATOM 293 O5' G B 61 9.182 2.832 2.135 1.00 0.00 O ATOM 294 C5' G B 61 9.254 3.317 3.477 1.00 0.00 C ATOM 295 C4' G B 61 7.868 3.486 4.089 1.00 0.00 C ATOM 296 O4' G B 61 7.081 4.400 3.320 1.00 0.00 O ATOM 297 C3' G B 61 7.082 2.185 4.087 1.00 0.00 C ATOM 298 O3' G B 61 7.273 1.521 5.339 1.00 0.00 O ATOM 299 C2' G B 61 5.638 2.637 4.020 1.00 0.00 C ATOM 300 O2' G B 61 5.073 2.797 5.326 1.00 0.00 O ATOM 301 C1' G B 61 5.715 3.959 3.277 1.00 0.00 C ATOM 302 N9 G B 61 5.239 3.772 1.897 1.00 0.00 N ATOM 303 C8 G B 61 5.930 3.582 0.746 1.00 0.00 C ATOM 304 N7 G B 61 5.248 3.401 -0.337 1.00 0.00 N ATOM 305 C5 G B 61 3.936 3.475 0.141 1.00 0.00 C ATOM 306 C6 G B 61 2.704 3.352 -0.551 1.00 0.00 C ATOM 307 O6 G B 61 2.516 3.152 -1.750 1.00 0.00 O ATOM 308 N1 G B 61 1.623 3.487 0.312 1.00 0.00 N ATOM 309 C2 G B 61 1.712 3.711 1.670 1.00 0.00 C ATOM 310 N2 G B 61 0.563 3.801 2.330 1.00 0.00 N ATOM 311 N3 G B 61 2.864 3.829 2.324 1.00 0.00 N ATOM 312 C4 G B 61 3.929 3.701 1.507 1.00 0.00 C ATOM 0 H5' G B 61 9.777 4.273 3.491 1.00 0.00 H new ATOM 0 H5'' G B 61 9.838 2.625 4.084 1.00 0.00 H new ATOM 0 H4' G B 61 8.039 3.840 5.106 1.00 0.00 H new ATOM 0 H3' G B 61 7.376 1.515 3.279 1.00 0.00 H new ATOM 0 H2' G B 61 4.992 1.912 3.525 1.00 0.00 H new ATOM 0 HO2' G B 61 4.120 2.571 5.300 1.00 0.00 H new ATOM 0 H1' G B 61 5.081 4.717 3.737 1.00 0.00 H new ATOM 0 H8 G B 61 7.010 3.582 0.735 1.00 0.00 H new ATOM 0 H1 G B 61 0.689 3.415 -0.091 1.00 0.00 H new ATOM 0 H21 G B 61 0.565 3.966 3.337 1.00 0.00 H new ATOM 0 H22 G B 61 -0.321 3.705 1.830 1.00 0.00 H new ATOM 324 P U B 62 6.759 0.005 5.540 1.00 0.00 P ATOM 325 OP1 U B 62 7.477 -0.583 6.693 1.00 0.00 O ATOM 326 OP2 U B 62 6.785 -0.674 4.226 1.00 0.00 O ATOM 327 O5' U B 62 5.219 0.237 5.964 1.00 0.00 O ATOM 328 C5' U B 62 4.927 0.904 7.195 1.00 0.00 C ATOM 329 C4' U B 62 3.472 1.366 7.291 1.00 0.00 C ATOM 330 O4' U B 62 3.112 2.205 6.187 1.00 0.00 O ATOM 331 C3' U B 62 2.470 0.225 7.230 1.00 0.00 C ATOM 332 O3' U B 62 2.285 -0.327 8.534 1.00 0.00 O ATOM 333 C2' U B 62 1.214 0.982 6.857 1.00 0.00 C ATOM 334 O2' U B 62 0.688 1.718 7.969 1.00 0.00 O ATOM 335 C1' U B 62 1.761 1.903 5.784 1.00 0.00 C ATOM 336 N1 U B 62 1.737 1.230 4.481 1.00 0.00 N ATOM 337 C2 U B 62 0.527 1.144 3.816 1.00 0.00 C ATOM 338 O2 U B 62 -0.520 1.564 4.304 1.00 0.00 O ATOM 339 N3 U B 62 0.562 0.539 2.571 1.00 0.00 N ATOM 340 C4 U B 62 1.689 0.026 1.950 1.00 0.00 C ATOM 341 O4 U B 62 1.615 -0.470 0.828 1.00 0.00 O ATOM 342 C5 U B 62 2.901 0.157 2.730 1.00 0.00 C ATOM 343 C6 U B 62 2.882 0.737 3.948 1.00 0.00 C ATOM 0 H5' U B 62 5.585 1.767 7.300 1.00 0.00 H new ATOM 0 H5'' U B 62 5.146 0.234 8.026 1.00 0.00 H new ATOM 0 H4' U B 62 3.427 1.880 8.251 1.00 0.00 H new ATOM 0 H3' U B 62 2.753 -0.590 6.564 1.00 0.00 H new ATOM 0 H2' U B 62 0.381 0.355 6.539 1.00 0.00 H new ATOM 0 HO2' U B 62 1.116 1.412 8.796 1.00 0.00 H new ATOM 0 H1' U B 62 1.168 2.811 5.679 1.00 0.00 H new ATOM 0 H3 U B 62 -0.321 0.464 2.066 1.00 0.00 H new ATOM 0 H5 U B 62 3.834 -0.215 2.332 1.00 0.00 H new ATOM 0 H6 U B 62 3.800 0.810 4.512 1.00 0.00 H new ATOM 354 P G B 63 1.693 -1.816 8.698 1.00 0.00 P ATOM 355 OP1 G B 63 1.513 -2.086 10.142 1.00 0.00 O ATOM 356 OP2 G B 63 2.511 -2.733 7.872 1.00 0.00 O ATOM 357 O5' G B 63 0.235 -1.693 8.021 1.00 0.00 O ATOM 358 C5' G B 63 -0.759 -0.833 8.584 1.00 0.00 C ATOM 359 C4' G B 63 -2.083 -0.909 7.824 1.00 0.00 C ATOM 360 O4' G B 63 -2.010 -0.270 6.546 1.00 0.00 O ATOM 361 C3' G B 63 -2.476 -2.342 7.518 1.00 0.00 C ATOM 362 O3' G B 63 -3.215 -2.848 8.631 1.00 0.00 O ATOM 363 C2' G B 63 -3.419 -2.165 6.343 1.00 0.00 C ATOM 364 O2' G B 63 -4.736 -1.801 6.771 1.00 0.00 O ATOM 365 C1' G B 63 -2.752 -1.040 5.578 1.00 0.00 C ATOM 366 N9 G B 63 -1.864 -1.570 4.529 1.00 0.00 N ATOM 367 C8 G B 63 -0.517 -1.698 4.526 1.00 0.00 C ATOM 368 N7 G B 63 0.044 -2.112 3.444 1.00 0.00 N ATOM 369 C5 G B 63 -1.056 -2.297 2.608 1.00 0.00 C ATOM 370 C6 G B 63 -1.107 -2.746 1.267 1.00 0.00 C ATOM 371 O6 G B 63 -0.172 -3.065 0.537 1.00 0.00 O ATOM 372 N1 G B 63 -2.410 -2.796 0.796 1.00 0.00 N ATOM 373 C2 G B 63 -3.534 -2.460 1.523 1.00 0.00 C ATOM 374 N2 G B 63 -4.704 -2.602 0.900 1.00 0.00 N ATOM 375 N3 G B 63 -3.496 -2.031 2.788 1.00 0.00 N ATOM 376 C4 G B 63 -2.233 -1.973 3.266 1.00 0.00 C ATOM 0 H5' G B 63 -0.395 0.195 8.576 1.00 0.00 H new ATOM 0 H5'' G B 63 -0.924 -1.104 9.627 1.00 0.00 H new ATOM 0 H4' G B 63 -2.804 -0.418 8.478 1.00 0.00 H new ATOM 0 H3' G B 63 -1.640 -3.014 7.322 1.00 0.00 H new ATOM 0 H2' G B 63 -3.565 -3.072 5.757 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.779 -1.820 7.750 1.00 0.00 H new ATOM 0 H1' G B 63 -3.491 -0.419 5.072 1.00 0.00 H new ATOM 0 H8 G B 63 0.068 -1.461 5.402 1.00 0.00 H new ATOM 0 H1 G B 63 -2.549 -3.106 -0.166 1.00 0.00 H new ATOM 0 H21 G B 63 -5.571 -2.370 1.384 1.00 0.00 H new ATOM 0 H22 G B 63 -4.732 -2.943 -0.061 1.00 0.00 H new ATOM 388 P U B 64 -3.023 -4.370 9.109 1.00 0.00 P ATOM 389 OP1 U B 64 -3.723 -4.545 10.401 1.00 0.00 O ATOM 390 OP2 U B 64 -1.590 -4.719 8.991 1.00 0.00 O ATOM 391 O5' U B 64 -3.835 -5.180 7.983 1.00 0.00 O ATOM 392 C5' U B 64 -5.224 -4.920 7.773 1.00 0.00 C ATOM 393 C4' U B 64 -5.742 -5.651 6.541 1.00 0.00 C ATOM 394 O4' U B 64 -5.447 -4.943 5.333 1.00 0.00 O ATOM 395 C3' U B 64 -5.060 -6.993 6.385 1.00 0.00 C ATOM 396 O3' U B 64 -5.796 -7.971 7.123 1.00 0.00 O ATOM 397 C2' U B 64 -5.229 -7.268 4.907 1.00 0.00 C ATOM 398 O2' U B 64 -6.504 -7.856 4.623 1.00 0.00 O ATOM 399 C1' U B 64 -5.106 -5.883 4.298 1.00 0.00 C ATOM 400 N1 U B 64 -3.749 -5.635 3.773 1.00 0.00 N ATOM 401 C2 U B 64 -3.560 -5.815 2.416 1.00 0.00 C ATOM 402 O2 U B 64 -4.463 -6.199 1.677 1.00 0.00 O ATOM 403 N3 U B 64 -2.292 -5.548 1.936 1.00 0.00 N ATOM 404 C4 U B 64 -1.209 -5.124 2.689 1.00 0.00 C ATOM 405 O4 U B 64 -0.121 -4.912 2.157 1.00 0.00 O ATOM 406 C5 U B 64 -1.497 -4.967 4.100 1.00 0.00 C ATOM 407 C6 U B 64 -2.732 -5.220 4.590 1.00 0.00 C ATOM 0 H5' U B 64 -5.382 -3.848 7.656 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.792 -5.232 8.650 1.00 0.00 H new ATOM 0 H4' U B 64 -6.818 -5.746 6.690 1.00 0.00 H new ATOM 0 H3' U B 64 -4.026 -7.013 6.728 1.00 0.00 H new ATOM 0 H2' U B 64 -4.503 -7.980 4.514 1.00 0.00 H new ATOM 0 HO2' U B 64 -6.976 -8.035 5.463 1.00 0.00 H new ATOM 0 H1' U B 64 -5.777 -5.781 3.445 1.00 0.00 H new ATOM 0 H3 U B 64 -2.139 -5.675 0.935 1.00 0.00 H new ATOM 0 H5 U B 64 -0.714 -4.643 4.770 1.00 0.00 H new ATOM 0 H6 U B 64 -2.919 -5.092 5.646 1.00 0.00 H new ATOM 418 P C B 65 -5.026 -9.183 7.851 1.00 0.00 P ATOM 419 OP1 C B 65 -5.989 -9.880 8.733 1.00 0.00 O ATOM 420 OP2 C B 65 -3.759 -8.658 8.409 1.00 0.00 O ATOM 421 O5' C B 65 -4.672 -10.156 6.621 1.00 0.00 O ATOM 422 C5' C B 65 -5.719 -10.785 5.880 1.00 0.00 C ATOM 423 C4' C B 65 -5.178 -11.590 4.703 1.00 0.00 C ATOM 424 O4' C B 65 -4.894 -10.756 3.580 1.00 0.00 O ATOM 425 C3' C B 65 -3.868 -12.272 5.046 1.00 0.00 C ATOM 426 O3' C B 65 -4.083 -13.522 5.714 1.00 0.00 O ATOM 427 C2' C B 65 -3.254 -12.471 3.671 1.00 0.00 C ATOM 428 O2' C B 65 -3.749 -13.660 3.043 1.00 0.00 O ATOM 429 C1' C B 65 -3.704 -11.217 2.927 1.00 0.00 C ATOM 430 N1 C B 65 -2.665 -10.183 2.968 1.00 0.00 N ATOM 431 C2 C B 65 -1.832 -10.061 1.872 1.00 0.00 C ATOM 432 O2 C B 65 -1.954 -10.823 0.916 1.00 0.00 O ATOM 433 N3 C B 65 -0.890 -9.078 1.888 1.00 0.00 N ATOM 434 C4 C B 65 -0.779 -8.251 2.937 1.00 0.00 C ATOM 435 N4 C B 65 0.174 -7.317 2.935 1.00 0.00 N ATOM 436 C5 C B 65 -1.649 -8.379 4.067 1.00 0.00 C ATOM 437 C6 C B 65 -2.562 -9.360 4.039 1.00 0.00 C ATOM 0 H5' C B 65 -6.411 -10.027 5.514 1.00 0.00 H new ATOM 0 H5'' C B 65 -6.286 -11.442 6.539 1.00 0.00 H new ATOM 0 H4' C B 65 -5.956 -12.317 4.471 1.00 0.00 H new ATOM 0 H3' C B 65 -3.240 -11.702 5.731 1.00 0.00 H new ATOM 0 H2' C B 65 -2.172 -12.598 3.692 1.00 0.00 H new ATOM 0 HO2' C B 65 -4.127 -14.256 3.723 1.00 0.00 H new ATOM 0 HO3' C B 65 -3.219 -13.936 5.919 1.00 0.00 H new ATOM 0 H1' C B 65 -3.892 -11.439 1.876 1.00 0.00 H new ATOM 0 H41 C B 65 0.268 -6.682 3.728 1.00 0.00 H new ATOM 0 H42 C B 65 0.809 -7.238 2.141 1.00 0.00 H new ATOM 0 H5 C B 65 -1.572 -7.710 4.911 1.00 0.00 H new ATOM 0 H6 C B 65 -3.224 -9.496 4.881 1.00 0.00 H new TER 450 C B 65