USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 153 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 -27:sc= 0.368 USER MOD Single : A 1 G O5' : rot 180:sc= -0.0638 USER MOD Single : A 2 G O2' : rot -1:sc= -1.23! USER MOD Single : A 3 C O2' : rot -7:sc= -0.36 USER MOD Single : A 4 C O2' : rot -10:sc= -1.46! USER MOD Single : A 5 U O2' : rot -17:sc= 0.398 USER MOD Single : A 6 G O2' : rot -128:sc= -6.51! USER MOD Single : A 7 A O2' : rot 149:sc= -6.56! USER MOD Single : A 8 U O2' : rot 140:sc= 0.739 USER MOD Single : A 9 A O2' : rot -78:sc= 0.547 USER MOD Single : A 10 G O2' : rot -71:sc= 1.01 USER MOD Single : A 11 G O2' : rot -13:sc= 0.389 USER MOD Single : A 12 G O2' : rot -8:sc= -1.79! USER MOD Single : A 13 U O2' : rot -71:sc= 0.767 USER MOD Single : A 14 C O2' : rot -16:sc= 0.21 USER MOD Single : A 14 C O3' : rot 180:sc= 0.221 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.710 -6.706 10.147 1.00 0.00 O ATOM 2 C5' G A 1 -4.213 -7.081 11.436 1.00 0.00 C ATOM 3 C4' G A 1 -2.715 -7.368 11.397 1.00 0.00 C ATOM 4 O4' G A 1 -2.469 -8.448 10.489 1.00 0.00 O ATOM 5 C3' G A 1 -1.862 -6.230 10.870 1.00 0.00 C ATOM 6 O3' G A 1 -1.414 -5.477 12.002 1.00 0.00 O ATOM 7 C2' G A 1 -0.650 -6.943 10.287 1.00 0.00 C ATOM 8 O2' G A 1 0.293 -7.263 11.315 1.00 0.00 O ATOM 9 C1' G A 1 -1.277 -8.215 9.720 1.00 0.00 C ATOM 10 N9 G A 1 -1.653 -8.070 8.299 1.00 0.00 N ATOM 11 C8 G A 1 -2.634 -7.284 7.748 1.00 0.00 C ATOM 12 N7 G A 1 -2.719 -7.382 6.451 1.00 0.00 N ATOM 13 C5 G A 1 -1.725 -8.295 6.118 1.00 0.00 C ATOM 14 C6 G A 1 -1.343 -8.800 4.845 1.00 0.00 C ATOM 15 O6 G A 1 -1.818 -8.530 3.744 1.00 0.00 O ATOM 16 N1 G A 1 -0.297 -9.701 4.947 1.00 0.00 N ATOM 17 C2 G A 1 0.311 -10.076 6.124 1.00 0.00 C ATOM 18 N2 G A 1 1.304 -10.962 6.036 1.00 0.00 N ATOM 19 N3 G A 1 -0.040 -9.610 7.324 1.00 0.00 N ATOM 20 C4 G A 1 -1.064 -8.725 7.243 1.00 0.00 C ATOM 0 H5' G A 1 -4.745 -7.965 11.789 1.00 0.00 H new ATOM 0 H5'' G A 1 -4.413 -6.282 12.150 1.00 0.00 H new ATOM 0 H4' G A 1 -2.446 -7.568 12.434 1.00 0.00 H new ATOM 0 H3' G A 1 -2.375 -5.580 10.161 1.00 0.00 H new ATOM 0 H2' G A 1 -0.100 -6.353 9.554 1.00 0.00 H new ATOM 0 HO2' G A 1 0.198 -6.628 12.055 1.00 0.00 H new ATOM 0 HO5' G A 1 -5.672 -6.531 10.206 1.00 0.00 H new ATOM 0 H1' G A 1 -0.560 -9.034 9.779 1.00 0.00 H new ATOM 0 H8 G A 1 -3.276 -6.644 8.335 1.00 0.00 H new ATOM 0 H1 G A 1 0.050 -10.119 4.084 1.00 0.00 H new ATOM 0 H21 G A 1 1.787 -11.272 6.879 1.00 0.00 H new ATOM 0 H22 G A 1 1.581 -11.329 5.125 1.00 0.00 H new ATOM 33 P G A 2 -0.797 -4.000 11.816 1.00 0.00 P ATOM 34 OP1 G A 2 -0.123 -3.616 13.076 1.00 0.00 O ATOM 35 OP2 G A 2 -1.846 -3.128 11.244 1.00 0.00 O ATOM 36 O5' G A 2 0.334 -4.235 10.692 1.00 0.00 O ATOM 37 C5' G A 2 1.275 -3.207 10.369 1.00 0.00 C ATOM 38 C4' G A 2 2.610 -3.792 9.911 1.00 0.00 C ATOM 39 O4' G A 2 2.422 -5.160 9.524 1.00 0.00 O ATOM 40 C3' G A 2 3.208 -3.139 8.677 1.00 0.00 C ATOM 41 O3' G A 2 4.088 -2.105 9.130 1.00 0.00 O ATOM 42 C2' G A 2 4.069 -4.246 8.090 1.00 0.00 C ATOM 43 O2' G A 2 5.319 -4.337 8.781 1.00 0.00 O ATOM 44 C1' G A 2 3.213 -5.480 8.365 1.00 0.00 C ATOM 45 N9 G A 2 2.306 -5.791 7.242 1.00 0.00 N ATOM 46 C8 G A 2 0.960 -5.549 7.132 1.00 0.00 C ATOM 47 N7 G A 2 0.448 -5.938 5.998 1.00 0.00 N ATOM 48 C5 G A 2 1.528 -6.476 5.310 1.00 0.00 C ATOM 49 C6 G A 2 1.583 -7.060 4.014 1.00 0.00 C ATOM 50 O6 G A 2 0.669 -7.213 3.208 1.00 0.00 O ATOM 51 N1 G A 2 2.864 -7.478 3.697 1.00 0.00 N ATOM 52 C2 G A 2 3.961 -7.354 4.516 1.00 0.00 C ATOM 53 N2 G A 2 5.122 -7.811 4.047 1.00 0.00 N ATOM 54 N3 G A 2 3.922 -6.808 5.734 1.00 0.00 N ATOM 55 C4 G A 2 2.674 -6.393 6.062 1.00 0.00 C ATOM 0 H5' G A 2 1.435 -2.572 11.240 1.00 0.00 H new ATOM 0 H5'' G A 2 0.866 -2.572 9.583 1.00 0.00 H new ATOM 0 H4' G A 2 3.274 -3.639 10.762 1.00 0.00 H new ATOM 0 H3' G A 2 2.472 -2.732 7.983 1.00 0.00 H new ATOM 0 H2' G A 2 4.323 -4.102 7.040 1.00 0.00 H new ATOM 0 HO2' G A 2 5.360 -3.646 9.475 1.00 0.00 H new ATOM 0 H1' G A 2 3.853 -6.350 8.509 1.00 0.00 H new ATOM 0 H8 G A 2 0.379 -5.080 7.912 1.00 0.00 H new ATOM 0 H1 G A 2 3.005 -7.912 2.785 1.00 0.00 H new ATOM 0 H21 G A 2 5.965 -7.742 4.617 1.00 0.00 H new ATOM 0 H22 G A 2 5.167 -8.230 3.118 1.00 0.00 H new ATOM 67 P C A 3 4.381 -0.816 8.208 1.00 0.00 P ATOM 68 OP1 C A 3 5.303 0.079 8.945 1.00 0.00 O ATOM 69 OP2 C A 3 3.089 -0.295 7.710 1.00 0.00 O ATOM 70 O5' C A 3 5.181 -1.450 6.962 1.00 0.00 O ATOM 71 C5' C A 3 6.490 -2.002 7.139 1.00 0.00 C ATOM 72 C4' C A 3 6.985 -2.689 5.871 1.00 0.00 C ATOM 73 O4' C A 3 6.190 -3.855 5.623 1.00 0.00 O ATOM 74 C3' C A 3 6.844 -1.866 4.602 1.00 0.00 C ATOM 75 O3' C A 3 8.080 -1.170 4.412 1.00 0.00 O ATOM 76 C2' C A 3 6.745 -2.923 3.514 1.00 0.00 C ATOM 77 O2' C A 3 8.043 -3.407 3.157 1.00 0.00 O ATOM 78 C1' C A 3 5.941 -4.018 4.215 1.00 0.00 C ATOM 79 N1 C A 3 4.486 -3.894 3.966 1.00 0.00 N ATOM 80 C2 C A 3 3.940 -4.657 2.942 1.00 0.00 C ATOM 81 O2 C A 3 4.658 -5.395 2.269 1.00 0.00 O ATOM 82 N3 C A 3 2.604 -4.569 2.702 1.00 0.00 N ATOM 83 C4 C A 3 1.831 -3.761 3.438 1.00 0.00 C ATOM 84 N4 C A 3 0.528 -3.723 3.161 1.00 0.00 N ATOM 85 C5 C A 3 2.383 -2.971 4.490 1.00 0.00 C ATOM 86 C6 C A 3 3.705 -3.066 4.720 1.00 0.00 C ATOM 0 H5' C A 3 6.475 -2.719 7.960 1.00 0.00 H new ATOM 0 H5'' C A 3 7.185 -1.210 7.420 1.00 0.00 H new ATOM 0 H4' C A 3 8.040 -2.883 6.063 1.00 0.00 H new ATOM 0 H3' C A 3 6.010 -1.164 4.614 1.00 0.00 H new ATOM 0 H2' C A 3 6.298 -2.563 2.588 1.00 0.00 H new ATOM 0 HO2' C A 3 8.728 -2.874 3.613 1.00 0.00 H new ATOM 0 H1' C A 3 6.244 -4.995 3.839 1.00 0.00 H new ATOM 0 H41 C A 3 -0.091 -3.119 3.702 1.00 0.00 H new ATOM 0 H42 C A 3 0.150 -4.298 2.408 1.00 0.00 H new ATOM 0 H5 C A 3 1.760 -2.318 5.083 1.00 0.00 H new ATOM 0 H6 C A 3 4.153 -2.481 5.509 1.00 0.00 H new ATOM 98 P C A 4 8.103 0.297 3.749 1.00 0.00 P ATOM 99 OP1 C A 4 9.478 0.833 3.854 1.00 0.00 O ATOM 100 OP2 C A 4 6.965 1.072 4.294 1.00 0.00 O ATOM 101 O5' C A 4 7.800 -0.015 2.198 1.00 0.00 O ATOM 102 C5' C A 4 8.740 -0.750 1.406 1.00 0.00 C ATOM 103 C4' C A 4 8.273 -0.878 -0.041 1.00 0.00 C ATOM 104 O4' C A 4 7.325 -1.947 -0.141 1.00 0.00 O ATOM 105 C3' C A 4 7.516 0.322 -0.582 1.00 0.00 C ATOM 106 O3' C A 4 8.475 1.202 -1.174 1.00 0.00 O ATOM 107 C2' C A 4 6.696 -0.288 -1.703 1.00 0.00 C ATOM 108 O2' C A 4 7.505 -0.524 -2.859 1.00 0.00 O ATOM 109 C1' C A 4 6.272 -1.607 -1.064 1.00 0.00 C ATOM 110 N1 C A 4 5.014 -1.458 -0.304 1.00 0.00 N ATOM 111 C2 C A 4 3.828 -1.812 -0.931 1.00 0.00 C ATOM 112 O2 C A 4 3.840 -2.247 -2.080 1.00 0.00 O ATOM 113 N3 C A 4 2.661 -1.657 -0.248 1.00 0.00 N ATOM 114 C4 C A 4 2.657 -1.173 1.001 1.00 0.00 C ATOM 115 N4 C A 4 1.483 -1.046 1.617 1.00 0.00 N ATOM 116 C5 C A 4 3.877 -0.807 1.651 1.00 0.00 C ATOM 117 C6 C A 4 5.021 -0.965 0.968 1.00 0.00 C ATOM 0 H5' C A 4 8.880 -1.743 1.833 1.00 0.00 H new ATOM 0 H5'' C A 4 9.709 -0.252 1.434 1.00 0.00 H new ATOM 0 H4' C A 4 9.196 -1.016 -0.605 1.00 0.00 H new ATOM 0 H3' C A 4 6.929 0.861 0.162 1.00 0.00 H new ATOM 0 H2' C A 4 5.873 0.336 -2.051 1.00 0.00 H new ATOM 0 HO2' C A 4 8.380 -0.099 -2.738 1.00 0.00 H new ATOM 0 H1' C A 4 6.109 -2.366 -1.830 1.00 0.00 H new ATOM 0 H41 C A 4 1.443 -0.681 2.569 1.00 0.00 H new ATOM 0 H42 C A 4 0.624 -1.314 1.137 1.00 0.00 H new ATOM 0 H5 C A 4 3.878 -0.416 2.658 1.00 0.00 H new ATOM 0 H6 C A 4 5.960 -0.698 1.431 1.00 0.00 H new ATOM 129 P U A 5 8.151 2.771 -1.346 1.00 0.00 P ATOM 130 OP1 U A 5 9.306 3.412 -2.013 1.00 0.00 O ATOM 131 OP2 U A 5 7.668 3.290 -0.047 1.00 0.00 O ATOM 132 O5' U A 5 6.913 2.760 -2.377 1.00 0.00 O ATOM 133 C5' U A 5 7.106 2.392 -3.746 1.00 0.00 C ATOM 134 C4' U A 5 5.811 2.466 -4.532 1.00 0.00 C ATOM 135 O4' U A 5 4.881 1.542 -3.976 1.00 0.00 O ATOM 136 C3' U A 5 5.109 3.809 -4.460 1.00 0.00 C ATOM 137 O3' U A 5 5.525 4.558 -5.609 1.00 0.00 O ATOM 138 C2' U A 5 3.644 3.453 -4.657 1.00 0.00 C ATOM 139 O2' U A 5 3.327 3.354 -6.049 1.00 0.00 O ATOM 140 C1' U A 5 3.553 2.078 -3.990 1.00 0.00 C ATOM 141 N1 U A 5 3.055 2.153 -2.598 1.00 0.00 N ATOM 142 C2 U A 5 1.684 2.176 -2.404 1.00 0.00 C ATOM 143 O2 U A 5 0.882 2.154 -3.335 1.00 0.00 O ATOM 144 N3 U A 5 1.261 2.227 -1.090 1.00 0.00 N ATOM 145 C4 U A 5 2.074 2.257 0.028 1.00 0.00 C ATOM 146 O4 U A 5 1.575 2.292 1.149 1.00 0.00 O ATOM 147 C5 U A 5 3.490 2.232 -0.256 1.00 0.00 C ATOM 148 C6 U A 5 3.926 2.183 -1.538 1.00 0.00 C ATOM 0 H5' U A 5 7.507 1.380 -3.798 1.00 0.00 H new ATOM 0 H5'' U A 5 7.846 3.051 -4.200 1.00 0.00 H new ATOM 0 H4' U A 5 6.094 2.263 -5.565 1.00 0.00 H new ATOM 0 H3' U A 5 5.306 4.367 -3.545 1.00 0.00 H new ATOM 0 H2' U A 5 2.956 4.192 -4.246 1.00 0.00 H new ATOM 0 HO2' U A 5 4.026 3.794 -6.576 1.00 0.00 H new ATOM 0 H1' U A 5 2.850 1.457 -4.546 1.00 0.00 H new ATOM 0 H3 U A 5 0.254 2.244 -0.929 1.00 0.00 H new ATOM 0 H5 U A 5 4.203 2.252 0.555 1.00 0.00 H new ATOM 0 H6 U A 5 4.989 2.167 -1.731 1.00 0.00 H new ATOM 159 P G A 6 6.096 6.056 -5.449 1.00 0.00 P ATOM 160 OP1 G A 6 6.628 6.490 -6.761 1.00 0.00 O ATOM 161 OP2 G A 6 6.963 6.099 -4.250 1.00 0.00 O ATOM 162 O5' G A 6 4.763 6.904 -5.140 1.00 0.00 O ATOM 163 C5' G A 6 3.695 6.956 -6.089 1.00 0.00 C ATOM 164 C4' G A 6 2.344 7.099 -5.401 1.00 0.00 C ATOM 165 O4' G A 6 2.239 6.122 -4.375 1.00 0.00 O ATOM 166 C3' G A 6 2.133 8.413 -4.665 1.00 0.00 C ATOM 167 O3' G A 6 1.400 9.275 -5.542 1.00 0.00 O ATOM 168 C2' G A 6 1.211 8.054 -3.489 1.00 0.00 C ATOM 169 O2' G A 6 -0.120 8.478 -3.734 1.00 0.00 O ATOM 170 C1' G A 6 1.248 6.529 -3.435 1.00 0.00 C ATOM 171 N9 G A 6 1.619 6.042 -2.093 1.00 0.00 N ATOM 172 C8 G A 6 2.842 5.619 -1.641 1.00 0.00 C ATOM 173 N7 G A 6 2.848 5.286 -0.381 1.00 0.00 N ATOM 174 C5 G A 6 1.539 5.503 0.032 1.00 0.00 C ATOM 175 C6 G A 6 0.941 5.316 1.310 1.00 0.00 C ATOM 176 O6 G A 6 1.466 4.915 2.345 1.00 0.00 O ATOM 177 N1 G A 6 -0.404 5.652 1.298 1.00 0.00 N ATOM 178 C2 G A 6 -1.093 6.113 0.199 1.00 0.00 C ATOM 179 N2 G A 6 -2.387 6.392 0.367 1.00 0.00 N ATOM 180 N3 G A 6 -0.541 6.291 -1.003 1.00 0.00 N ATOM 181 C4 G A 6 0.774 5.966 -1.010 1.00 0.00 C ATOM 0 H5' G A 6 3.702 6.050 -6.696 1.00 0.00 H new ATOM 0 H5'' G A 6 3.850 7.795 -6.767 1.00 0.00 H new ATOM 0 H4' G A 6 1.620 7.011 -6.211 1.00 0.00 H new ATOM 0 H3' G A 6 3.063 8.886 -4.349 1.00 0.00 H new ATOM 0 H2' G A 6 1.533 8.532 -2.564 1.00 0.00 H new ATOM 0 HO2' G A 6 -0.437 9.014 -2.977 1.00 0.00 H new ATOM 0 H1' G A 6 0.264 6.120 -3.664 1.00 0.00 H new ATOM 0 H8 G A 6 3.718 5.567 -2.270 1.00 0.00 H new ATOM 0 H1 G A 6 -0.923 5.550 2.170 1.00 0.00 H new ATOM 0 H21 G A 6 -2.940 6.736 -0.417 1.00 0.00 H new ATOM 0 H22 G A 6 -2.823 6.261 1.280 1.00 0.00 H new ATOM 193 P A A 7 1.268 10.854 -5.229 1.00 0.00 P ATOM 194 OP1 A A 7 1.522 11.596 -6.484 1.00 0.00 O ATOM 195 OP2 A A 7 2.062 11.160 -4.018 1.00 0.00 O ATOM 196 O5' A A 7 -0.292 11.008 -4.860 1.00 0.00 O ATOM 197 C5' A A 7 -1.223 10.003 -5.265 1.00 0.00 C ATOM 198 C4' A A 7 -2.511 10.047 -4.474 1.00 0.00 C ATOM 199 O4' A A 7 -2.282 9.445 -3.188 1.00 0.00 O ATOM 200 C3' A A 7 -3.014 11.435 -4.143 1.00 0.00 C ATOM 201 O3' A A 7 -4.364 11.196 -3.733 1.00 0.00 O ATOM 202 C2' A A 7 -2.164 11.758 -2.922 1.00 0.00 C ATOM 203 O2' A A 7 -2.694 12.841 -2.181 1.00 0.00 O ATOM 204 C1' A A 7 -2.267 10.446 -2.160 1.00 0.00 C ATOM 205 N9 A A 7 -1.117 10.196 -1.269 1.00 0.00 N ATOM 206 C8 A A 7 0.221 10.371 -1.521 1.00 0.00 C ATOM 207 N7 A A 7 0.991 10.038 -0.523 1.00 0.00 N ATOM 208 C5 A A 7 0.102 9.617 0.457 1.00 0.00 C ATOM 209 C6 A A 7 0.284 9.135 1.763 1.00 0.00 C ATOM 210 N6 A A 7 1.480 8.985 2.333 1.00 0.00 N ATOM 211 N1 A A 7 -0.809 8.806 2.466 1.00 0.00 N ATOM 212 C2 A A 7 -2.004 8.949 1.906 1.00 0.00 C ATOM 213 N3 A A 7 -2.308 9.387 0.694 1.00 0.00 N ATOM 214 C4 A A 7 -1.187 9.709 0.016 1.00 0.00 C ATOM 0 H5' A A 7 -0.764 9.021 -5.150 1.00 0.00 H new ATOM 0 H5'' A A 7 -1.448 10.128 -6.324 1.00 0.00 H new ATOM 0 H4' A A 7 -3.240 9.542 -5.108 1.00 0.00 H new ATOM 0 H3' A A 7 -2.967 12.206 -4.912 1.00 0.00 H new ATOM 0 H2' A A 7 -1.145 12.073 -3.149 1.00 0.00 H new ATOM 0 HO2' A A 7 -2.477 12.726 -1.232 1.00 0.00 H new ATOM 0 H1' A A 7 -3.146 10.450 -1.515 1.00 0.00 H new ATOM 0 H8 A A 7 0.601 10.749 -2.459 1.00 0.00 H new ATOM 0 H61 A A 7 1.550 8.630 3.287 1.00 0.00 H new ATOM 0 H62 A A 7 2.325 9.226 1.815 1.00 0.00 H new ATOM 0 H2 A A 7 -2.844 8.670 2.524 1.00 0.00 H new ATOM 226 P U A 8 -5.447 12.331 -3.371 1.00 0.00 P ATOM 227 OP1 U A 8 -6.400 12.438 -4.499 1.00 0.00 O ATOM 228 OP2 U A 8 -4.767 13.539 -2.863 1.00 0.00 O ATOM 229 O5' U A 8 -6.194 11.599 -2.147 1.00 0.00 O ATOM 230 C5' U A 8 -6.185 10.161 -2.088 1.00 0.00 C ATOM 231 C4' U A 8 -5.741 9.630 -0.724 1.00 0.00 C ATOM 232 O4' U A 8 -4.631 10.396 -0.239 1.00 0.00 O ATOM 233 C3' U A 8 -6.797 9.734 0.369 1.00 0.00 C ATOM 234 O3' U A 8 -6.514 8.714 1.336 1.00 0.00 O ATOM 235 C2' U A 8 -6.466 11.068 1.001 1.00 0.00 C ATOM 236 O2' U A 8 -6.997 11.164 2.325 1.00 0.00 O ATOM 237 C1' U A 8 -4.959 11.000 1.016 1.00 0.00 C ATOM 238 N1 U A 8 -4.336 12.331 1.081 1.00 0.00 N ATOM 239 C2 U A 8 -4.268 12.955 2.317 1.00 0.00 C ATOM 240 O2 U A 8 -4.687 12.434 3.349 1.00 0.00 O ATOM 241 N3 U A 8 -3.698 14.212 2.325 1.00 0.00 N ATOM 242 C4 U A 8 -3.196 14.886 1.229 1.00 0.00 C ATOM 243 O4 U A 8 -2.710 16.006 1.363 1.00 0.00 O ATOM 244 C5 U A 8 -3.303 14.167 -0.020 1.00 0.00 C ATOM 245 C6 U A 8 -3.860 12.929 -0.050 1.00 0.00 C ATOM 0 H5' U A 8 -5.519 9.774 -2.859 1.00 0.00 H new ATOM 0 H5'' U A 8 -7.184 9.786 -2.312 1.00 0.00 H new ATOM 0 H4' U A 8 -5.510 8.580 -0.905 1.00 0.00 H new ATOM 0 H3' U A 8 -7.826 9.639 0.021 1.00 0.00 H new ATOM 0 H2' U A 8 -6.877 11.933 0.480 1.00 0.00 H new ATOM 0 HO2' U A 8 -6.347 11.611 2.907 1.00 0.00 H new ATOM 0 H1' U A 8 -4.601 10.454 1.888 1.00 0.00 H new ATOM 0 H3 U A 8 -3.642 14.688 3.225 1.00 0.00 H new ATOM 0 H5 U A 8 -2.939 14.616 -0.932 1.00 0.00 H new ATOM 0 H6 U A 8 -3.928 12.405 -0.992 1.00 0.00 H new ATOM 256 P A A 9 -7.704 7.990 2.151 1.00 0.00 P ATOM 257 OP1 A A 9 -8.138 8.893 3.239 1.00 0.00 O ATOM 258 OP2 A A 9 -7.273 6.609 2.466 1.00 0.00 O ATOM 259 O5' A A 9 -8.885 7.915 1.057 1.00 0.00 O ATOM 260 C5' A A 9 -9.333 6.659 0.537 1.00 0.00 C ATOM 261 C4' A A 9 -9.806 6.793 -0.910 1.00 0.00 C ATOM 262 O4' A A 9 -9.116 7.901 -1.521 1.00 0.00 O ATOM 263 C3' A A 9 -9.487 5.598 -1.811 1.00 0.00 C ATOM 264 O3' A A 9 -10.679 4.810 -1.929 1.00 0.00 O ATOM 265 C2' A A 9 -9.236 6.253 -3.163 1.00 0.00 C ATOM 266 O2' A A 9 -10.467 6.619 -3.794 1.00 0.00 O ATOM 267 C1' A A 9 -8.468 7.486 -2.730 1.00 0.00 C ATOM 268 N9 A A 9 -7.051 7.184 -2.445 1.00 0.00 N ATOM 269 C8 A A 9 -6.474 6.815 -1.259 1.00 0.00 C ATOM 270 N7 A A 9 -5.192 6.593 -1.348 1.00 0.00 N ATOM 271 C5 A A 9 -4.903 6.839 -2.685 1.00 0.00 C ATOM 272 C6 A A 9 -3.714 6.783 -3.428 1.00 0.00 C ATOM 273 N6 A A 9 -2.534 6.450 -2.907 1.00 0.00 N ATOM 274 N1 A A 9 -3.778 7.088 -4.731 1.00 0.00 N ATOM 275 C2 A A 9 -4.949 7.424 -5.257 1.00 0.00 C ATOM 276 N3 A A 9 -6.132 7.512 -4.672 1.00 0.00 N ATOM 277 C4 A A 9 -6.031 7.200 -3.365 1.00 0.00 C ATOM 0 H5' A A 9 -10.147 6.277 1.154 1.00 0.00 H new ATOM 0 H5'' A A 9 -8.523 5.931 0.591 1.00 0.00 H new ATOM 0 H4' A A 9 -10.888 6.901 -0.838 1.00 0.00 H new ATOM 0 H3' A A 9 -8.666 4.977 -1.453 1.00 0.00 H new ATOM 0 H2' A A 9 -8.723 5.621 -3.888 1.00 0.00 H new ATOM 0 HO2' A A 9 -10.879 5.824 -4.193 1.00 0.00 H new ATOM 0 H1' A A 9 -8.469 8.245 -3.512 1.00 0.00 H new ATOM 0 H8 A A 9 -7.028 6.717 -0.337 1.00 0.00 H new ATOM 0 H61 A A 9 -1.703 6.427 -3.499 1.00 0.00 H new ATOM 0 H62 A A 9 -2.461 6.218 -1.916 1.00 0.00 H new ATOM 0 H2 A A 9 -4.934 7.659 -6.311 1.00 0.00 H new ATOM 289 P G A 10 -10.677 3.443 -2.790 1.00 0.00 P ATOM 290 OP1 G A 10 -12.072 2.956 -2.885 1.00 0.00 O ATOM 291 OP2 G A 10 -9.620 2.556 -2.255 1.00 0.00 O ATOM 292 O5' G A 10 -10.220 3.956 -4.249 1.00 0.00 O ATOM 293 C5' G A 10 -10.474 3.185 -5.426 1.00 0.00 C ATOM 294 C4' G A 10 -9.220 2.477 -5.939 1.00 0.00 C ATOM 295 O4' G A 10 -8.103 3.372 -5.879 1.00 0.00 O ATOM 296 C3' G A 10 -8.761 1.279 -5.130 1.00 0.00 C ATOM 297 O3' G A 10 -9.425 0.124 -5.657 1.00 0.00 O ATOM 298 C2' G A 10 -7.292 1.179 -5.512 1.00 0.00 C ATOM 299 O2' G A 10 -7.139 0.558 -6.792 1.00 0.00 O ATOM 300 C1' G A 10 -6.892 2.651 -5.583 1.00 0.00 C ATOM 301 N9 G A 10 -6.349 3.132 -4.299 1.00 0.00 N ATOM 302 C8 G A 10 -7.034 3.588 -3.206 1.00 0.00 C ATOM 303 N7 G A 10 -6.268 3.902 -2.200 1.00 0.00 N ATOM 304 C5 G A 10 -4.983 3.639 -2.662 1.00 0.00 C ATOM 305 C6 G A 10 -3.731 3.788 -2.006 1.00 0.00 C ATOM 306 O6 G A 10 -3.512 4.186 -0.864 1.00 0.00 O ATOM 307 N1 G A 10 -2.678 3.411 -2.822 1.00 0.00 N ATOM 308 C2 G A 10 -2.805 2.947 -4.112 1.00 0.00 C ATOM 309 N2 G A 10 -1.682 2.631 -4.756 1.00 0.00 N ATOM 310 N3 G A 10 -3.977 2.800 -4.737 1.00 0.00 N ATOM 311 C4 G A 10 -5.020 3.167 -3.950 1.00 0.00 C ATOM 0 H5' G A 10 -10.865 3.837 -6.207 1.00 0.00 H new ATOM 0 H5'' G A 10 -11.245 2.444 -5.213 1.00 0.00 H new ATOM 0 H4' G A 10 -9.507 2.150 -6.938 1.00 0.00 H new ATOM 0 H3' G A 10 -8.947 1.355 -4.059 1.00 0.00 H new ATOM 0 H2' G A 10 -6.695 0.583 -4.822 1.00 0.00 H new ATOM 0 HO2' G A 10 -7.355 -0.395 -6.721 1.00 0.00 H new ATOM 0 H1' G A 10 -6.116 2.796 -6.335 1.00 0.00 H new ATOM 0 H8 G A 10 -8.110 3.679 -3.180 1.00 0.00 H new ATOM 0 H1 G A 10 -1.736 3.482 -2.438 1.00 0.00 H new ATOM 0 H21 G A 10 -1.724 2.283 -5.714 1.00 0.00 H new ATOM 0 H22 G A 10 -0.780 2.737 -4.291 1.00 0.00 H new ATOM 323 P G A 11 -9.202 -1.329 -4.993 1.00 0.00 P ATOM 324 OP1 G A 11 -10.255 -2.235 -5.503 1.00 0.00 O ATOM 325 OP2 G A 11 -9.026 -1.151 -3.533 1.00 0.00 O ATOM 326 O5' G A 11 -7.793 -1.789 -5.626 1.00 0.00 O ATOM 327 C5' G A 11 -6.642 -1.994 -4.797 1.00 0.00 C ATOM 328 C4' G A 11 -5.352 -1.674 -5.547 1.00 0.00 C ATOM 329 O4' G A 11 -4.856 -0.405 -5.108 1.00 0.00 O ATOM 330 C3' G A 11 -4.208 -2.639 -5.292 1.00 0.00 C ATOM 331 O3' G A 11 -4.245 -3.613 -6.343 1.00 0.00 O ATOM 332 C2' G A 11 -2.969 -1.782 -5.512 1.00 0.00 C ATOM 333 O2' G A 11 -2.651 -1.699 -6.903 1.00 0.00 O ATOM 334 C1' G A 11 -3.423 -0.420 -4.985 1.00 0.00 C ATOM 335 N9 G A 11 -3.069 -0.210 -3.565 1.00 0.00 N ATOM 336 C8 G A 11 -3.872 0.221 -2.539 1.00 0.00 C ATOM 337 N7 G A 11 -3.253 0.327 -1.397 1.00 0.00 N ATOM 338 C5 G A 11 -1.949 -0.060 -1.682 1.00 0.00 C ATOM 339 C6 G A 11 -0.817 -0.146 -0.827 1.00 0.00 C ATOM 340 O6 G A 11 -0.749 0.112 0.373 1.00 0.00 O ATOM 341 N1 G A 11 0.307 -0.579 -1.508 1.00 0.00 N ATOM 342 C2 G A 11 0.347 -0.894 -2.848 1.00 0.00 C ATOM 343 N2 G A 11 1.516 -1.304 -3.339 1.00 0.00 N ATOM 344 N3 G A 11 -0.710 -0.817 -3.662 1.00 0.00 N ATOM 345 C4 G A 11 -1.822 -0.392 -3.010 1.00 0.00 C ATOM 0 H5' G A 11 -6.618 -3.028 -4.454 1.00 0.00 H new ATOM 0 H5'' G A 11 -6.714 -1.365 -3.909 1.00 0.00 H new ATOM 0 H4' G A 11 -5.630 -1.719 -6.600 1.00 0.00 H new ATOM 0 H3' G A 11 -4.240 -3.123 -4.316 1.00 0.00 H new ATOM 0 H2' G A 11 -2.075 -2.170 -5.025 1.00 0.00 H new ATOM 0 HO2' G A 11 -3.166 -2.371 -7.397 1.00 0.00 H new ATOM 0 H1' G A 11 -2.931 0.370 -5.553 1.00 0.00 H new ATOM 0 H8 G A 11 -4.920 0.451 -2.666 1.00 0.00 H new ATOM 0 H1 G A 11 1.173 -0.672 -0.977 1.00 0.00 H new ATOM 0 H21 G A 11 1.597 -1.549 -4.326 1.00 0.00 H new ATOM 0 H22 G A 11 2.330 -1.373 -2.728 1.00 0.00 H new ATOM 357 P G A 12 -3.534 -5.047 -6.169 1.00 0.00 P ATOM 358 OP1 G A 12 -4.098 -5.968 -7.181 1.00 0.00 O ATOM 359 OP2 G A 12 -3.570 -5.416 -4.736 1.00 0.00 O ATOM 360 O5' G A 12 -2.007 -4.729 -6.569 1.00 0.00 O ATOM 361 C5' G A 12 -1.197 -5.714 -7.222 1.00 0.00 C ATOM 362 C4' G A 12 0.277 -5.568 -6.860 1.00 0.00 C ATOM 363 O4' G A 12 0.461 -4.348 -6.132 1.00 0.00 O ATOM 364 C3' G A 12 0.809 -6.649 -5.932 1.00 0.00 C ATOM 365 O3' G A 12 1.429 -7.641 -6.757 1.00 0.00 O ATOM 366 C2' G A 12 1.915 -5.944 -5.162 1.00 0.00 C ATOM 367 O2' G A 12 3.128 -5.924 -5.921 1.00 0.00 O ATOM 368 C1' G A 12 1.351 -4.533 -5.022 1.00 0.00 C ATOM 369 N9 G A 12 0.583 -4.357 -3.772 1.00 0.00 N ATOM 370 C8 G A 12 -0.755 -4.098 -3.620 1.00 0.00 C ATOM 371 N7 G A 12 -1.130 -3.979 -2.378 1.00 0.00 N ATOM 372 C5 G A 12 0.041 -4.174 -1.655 1.00 0.00 C ATOM 373 C6 G A 12 0.256 -4.162 -0.251 1.00 0.00 C ATOM 374 O6 G A 12 -0.566 -3.971 0.643 1.00 0.00 O ATOM 375 N1 G A 12 1.583 -4.402 0.066 1.00 0.00 N ATOM 376 C2 G A 12 2.584 -4.628 -0.852 1.00 0.00 C ATOM 377 N2 G A 12 3.808 -4.843 -0.373 1.00 0.00 N ATOM 378 N3 G A 12 2.393 -4.643 -2.174 1.00 0.00 N ATOM 379 C4 G A 12 1.099 -4.408 -2.499 1.00 0.00 C ATOM 0 H5' G A 12 -1.316 -5.625 -8.302 1.00 0.00 H new ATOM 0 H5'' G A 12 -1.542 -6.710 -6.945 1.00 0.00 H new ATOM 0 H4' G A 12 0.805 -5.617 -7.812 1.00 0.00 H new ATOM 0 H3' G A 12 0.049 -7.100 -5.294 1.00 0.00 H new ATOM 0 H2' G A 12 2.165 -6.421 -4.214 1.00 0.00 H new ATOM 0 HO2' G A 12 3.024 -6.484 -6.719 1.00 0.00 H new ATOM 0 H1' G A 12 2.170 -3.814 -5.001 1.00 0.00 H new ATOM 0 H8 G A 12 -1.435 -4.002 -4.453 1.00 0.00 H new ATOM 0 H1 G A 12 1.838 -4.412 1.054 1.00 0.00 H new ATOM 0 H21 G A 12 4.583 -5.015 -1.013 1.00 0.00 H new ATOM 0 H22 G A 12 3.970 -4.835 0.634 1.00 0.00 H new ATOM 391 P U A 13 1.548 -9.169 -6.257 1.00 0.00 P ATOM 392 OP1 U A 13 2.214 -9.952 -7.322 1.00 0.00 O ATOM 393 OP2 U A 13 0.225 -9.594 -5.745 1.00 0.00 O ATOM 394 O5' U A 13 2.557 -9.053 -5.008 1.00 0.00 O ATOM 395 C5' U A 13 3.942 -8.752 -5.211 1.00 0.00 C ATOM 396 C4' U A 13 4.720 -8.785 -3.899 1.00 0.00 C ATOM 397 O4' U A 13 4.314 -7.680 -3.084 1.00 0.00 O ATOM 398 C3' U A 13 4.459 -10.009 -3.037 1.00 0.00 C ATOM 399 O3' U A 13 5.484 -10.959 -3.345 1.00 0.00 O ATOM 400 C2' U A 13 4.714 -9.505 -1.623 1.00 0.00 C ATOM 401 O2' U A 13 6.110 -9.537 -1.317 1.00 0.00 O ATOM 402 C1' U A 13 4.217 -8.062 -1.702 1.00 0.00 C ATOM 403 N1 U A 13 2.811 -7.921 -1.261 1.00 0.00 N ATOM 404 C2 U A 13 2.584 -7.656 0.079 1.00 0.00 C ATOM 405 O2 U A 13 3.495 -7.564 0.900 1.00 0.00 O ATOM 406 N3 U A 13 1.263 -7.506 0.450 1.00 0.00 N ATOM 407 C4 U A 13 0.166 -7.595 -0.384 1.00 0.00 C ATOM 408 O4 U A 13 -0.965 -7.435 0.068 1.00 0.00 O ATOM 409 C5 U A 13 0.481 -7.876 -1.766 1.00 0.00 C ATOM 410 C6 U A 13 1.772 -8.028 -2.152 1.00 0.00 C ATOM 0 H5' U A 13 4.038 -7.767 -5.667 1.00 0.00 H new ATOM 0 H5'' U A 13 4.373 -9.470 -5.909 1.00 0.00 H new ATOM 0 H4' U A 13 5.768 -8.772 -4.199 1.00 0.00 H new ATOM 0 H3' U A 13 3.472 -10.451 -3.174 1.00 0.00 H new ATOM 0 H2' U A 13 4.226 -10.100 -0.851 1.00 0.00 H new ATOM 0 HO2' U A 13 6.400 -10.467 -1.209 1.00 0.00 H new ATOM 0 H1' U A 13 4.817 -7.434 -1.043 1.00 0.00 H new ATOM 0 H3 U A 13 1.080 -7.311 1.434 1.00 0.00 H new ATOM 0 H5 U A 13 -0.313 -7.965 -2.493 1.00 0.00 H new ATOM 0 H6 U A 13 1.989 -8.239 -3.189 1.00 0.00 H new ATOM 421 P C A 14 5.400 -12.472 -2.796 1.00 0.00 P ATOM 422 OP1 C A 14 6.266 -13.320 -3.645 1.00 0.00 O ATOM 423 OP2 C A 14 3.972 -12.824 -2.615 1.00 0.00 O ATOM 424 O5' C A 14 6.078 -12.353 -1.342 1.00 0.00 O ATOM 425 C5' C A 14 6.232 -13.507 -0.510 1.00 0.00 C ATOM 426 C4' C A 14 6.174 -13.149 0.974 1.00 0.00 C ATOM 427 O4' C A 14 5.647 -11.830 1.126 1.00 0.00 O ATOM 428 C3' C A 14 5.239 -14.017 1.801 1.00 0.00 C ATOM 429 O3' C A 14 5.906 -15.206 2.231 1.00 0.00 O ATOM 430 C2' C A 14 4.939 -13.109 2.990 1.00 0.00 C ATOM 431 O2' C A 14 5.976 -13.203 3.970 1.00 0.00 O ATOM 432 C1' C A 14 4.923 -11.716 2.360 1.00 0.00 C ATOM 433 N1 C A 14 3.548 -11.254 2.073 1.00 0.00 N ATOM 434 C2 C A 14 2.884 -10.548 3.069 1.00 0.00 C ATOM 435 O2 C A 14 3.443 -10.309 4.138 1.00 0.00 O ATOM 436 N3 C A 14 1.609 -10.136 2.836 1.00 0.00 N ATOM 437 C4 C A 14 1.005 -10.404 1.671 1.00 0.00 C ATOM 438 N4 C A 14 -0.246 -9.978 1.505 1.00 0.00 N ATOM 439 C5 C A 14 1.684 -11.129 0.641 1.00 0.00 C ATOM 440 C6 C A 14 2.944 -11.531 0.881 1.00 0.00 C ATOM 0 H5' C A 14 7.184 -13.989 -0.730 1.00 0.00 H new ATOM 0 H5'' C A 14 5.448 -14.228 -0.741 1.00 0.00 H new ATOM 0 H4' C A 14 7.199 -13.277 1.322 1.00 0.00 H new ATOM 0 H3' C A 14 4.352 -14.352 1.264 1.00 0.00 H new ATOM 0 H2' C A 14 4.012 -13.363 3.504 1.00 0.00 H new ATOM 0 HO2' C A 14 6.514 -14.004 3.801 1.00 0.00 H new ATOM 0 HO3' C A 14 5.290 -15.752 2.763 1.00 0.00 H new ATOM 0 H1' C A 14 5.366 -10.993 3.045 1.00 0.00 H new ATOM 0 H41 C A 14 -0.736 -10.164 0.630 1.00 0.00 H new ATOM 0 H42 C A 14 -0.714 -9.465 2.253 1.00 0.00 H new ATOM 0 H5 C A 14 1.199 -11.346 -0.299 1.00 0.00 H new ATOM 0 H6 C A 14 3.484 -12.079 0.123 1.00 0.00 H new TER 453 C A 14