USER MOD reduce.3.24.130724 H: found=0, std=0, add=131, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 131 hydrogens (42 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 -6:sc= -1.41! USER MOD Single : A 1 G O5' : rot 24:sc= 0.408! USER MOD Single : A 2 G O2' : rot -136:sc= -0.559! USER MOD Single : A 3 A O2' : rot -7:sc= -1.76! USER MOD Single : A 4 C O2' : rot -170:sc= -1.27 USER MOD Single : A 5 U5P O3' : rot 58:sc= 1.02 USER MOD Single : A 6 U5P O3' : rot 6:sc= 0.379 USER MOD Single : A 7 C5P O3' : rot 125:sc= 0.428 USER MOD Single : A 8 5GP O3' : rot 95:sc= 0.368 USER MOD Single : A 9 G O2' : rot -3:sc= -0.0614 USER MOD Single : A 10 U O2' : rot -22:sc= 0.186 USER MOD Single : A 11 C O2' : rot -133:sc= -0.629 USER MOD Single : A 12 C O2' : rot -13:sc= 0.283 USER MOD Single : A 12 C O3' : rot 180:sc= 0.276 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.009 -7.069 2.712 1.00 0.00 O ATOM 2 C5' G A 1 5.214 -8.443 2.326 1.00 0.00 C ATOM 3 C4' G A 1 4.026 -9.325 2.674 1.00 0.00 C ATOM 4 O4' G A 1 3.800 -9.345 4.103 1.00 0.00 O ATOM 5 C3' G A 1 2.765 -8.782 2.034 1.00 0.00 C ATOM 6 O3' G A 1 2.509 -9.406 0.766 1.00 0.00 O ATOM 7 C2' G A 1 1.690 -9.092 3.030 1.00 0.00 C ATOM 8 O2' G A 1 1.133 -10.390 2.781 1.00 0.00 O ATOM 9 C1' G A 1 2.404 -9.063 4.368 1.00 0.00 C ATOM 10 N9 G A 1 2.298 -7.741 5.009 1.00 0.00 N ATOM 11 C8 G A 1 3.281 -6.845 5.263 1.00 0.00 C ATOM 12 N7 G A 1 2.954 -5.742 5.834 1.00 0.00 N ATOM 13 C5 G A 1 1.575 -5.901 5.991 1.00 0.00 C ATOM 14 C6 G A 1 0.624 -5.023 6.562 1.00 0.00 C ATOM 15 O6 G A 1 0.810 -3.916 7.048 1.00 0.00 O ATOM 16 N1 G A 1 -0.650 -5.557 6.526 1.00 0.00 N ATOM 17 C2 G A 1 -0.980 -6.785 6.008 1.00 0.00 C ATOM 18 N2 G A 1 -2.262 -7.116 6.066 1.00 0.00 N ATOM 19 N3 G A 1 -0.097 -7.627 5.465 1.00 0.00 N ATOM 20 C4 G A 1 1.160 -7.126 5.488 1.00 0.00 C ATOM 0 H5' G A 1 6.106 -8.827 2.821 1.00 0.00 H new ATOM 0 H5'' G A 1 5.398 -8.493 1.253 1.00 0.00 H new ATOM 0 H4' G A 1 4.250 -10.327 2.310 1.00 0.00 H new ATOM 0 H3' G A 1 2.833 -7.716 1.816 1.00 0.00 H new ATOM 0 H2' G A 1 0.860 -8.387 2.985 1.00 0.00 H new ATOM 0 HO2' G A 1 1.513 -10.756 1.956 1.00 0.00 H new ATOM 0 HO5' G A 1 4.356 -7.028 3.442 1.00 0.00 H new ATOM 0 H1' G A 1 1.954 -9.793 5.041 1.00 0.00 H new ATOM 0 H8 G A 1 4.307 -7.051 4.994 1.00 0.00 H new ATOM 0 H1 G A 1 -1.406 -4.994 6.915 1.00 0.00 H new ATOM 0 H21 G A 1 -2.574 -8.015 5.698 1.00 0.00 H new ATOM 0 H22 G A 1 -2.937 -6.472 6.478 1.00 0.00 H new ATOM 33 P G A 2 1.837 -8.567 -0.435 1.00 0.00 P ATOM 34 OP1 G A 2 1.630 -9.485 -1.577 1.00 0.00 O ATOM 35 OP2 G A 2 2.613 -7.320 -0.619 1.00 0.00 O ATOM 36 O5' G A 2 0.399 -8.184 0.178 1.00 0.00 O ATOM 37 C5' G A 2 -0.559 -9.212 0.484 1.00 0.00 C ATOM 38 C4' G A 2 -1.752 -8.695 1.263 1.00 0.00 C ATOM 39 O4' G A 2 -1.382 -8.173 2.552 1.00 0.00 O ATOM 40 C3' G A 2 -2.424 -7.560 0.538 1.00 0.00 C ATOM 41 O3' G A 2 -3.361 -8.033 -0.434 1.00 0.00 O ATOM 42 C2' G A 2 -3.077 -6.762 1.617 1.00 0.00 C ATOM 43 O2' G A 2 -4.450 -7.144 1.789 1.00 0.00 O ATOM 44 C1' G A 2 -2.263 -7.063 2.863 1.00 0.00 C ATOM 45 N9 G A 2 -1.506 -5.869 3.274 1.00 0.00 N ATOM 46 C8 G A 2 -0.182 -5.608 3.195 1.00 0.00 C ATOM 47 N7 G A 2 0.227 -4.455 3.613 1.00 0.00 N ATOM 48 C5 G A 2 -0.974 -3.862 4.026 1.00 0.00 C ATOM 49 C6 G A 2 -1.227 -2.577 4.589 1.00 0.00 C ATOM 50 O6 G A 2 -0.431 -1.674 4.849 1.00 0.00 O ATOM 51 N1 G A 2 -2.573 -2.400 4.849 1.00 0.00 N ATOM 52 C2 G A 2 -3.560 -3.330 4.606 1.00 0.00 C ATOM 53 N2 G A 2 -4.794 -2.977 4.914 1.00 0.00 N ATOM 54 N3 G A 2 -3.337 -4.526 4.086 1.00 0.00 N ATOM 55 C4 G A 2 -2.035 -4.730 3.819 1.00 0.00 C ATOM 0 H5' G A 2 -0.069 -9.998 1.059 1.00 0.00 H new ATOM 0 H5'' G A 2 -0.907 -9.665 -0.444 1.00 0.00 H new ATOM 0 H4' G A 2 -2.414 -9.554 1.374 1.00 0.00 H new ATOM 0 H3' G A 2 -1.718 -6.959 -0.036 1.00 0.00 H new ATOM 0 H2' G A 2 -3.095 -5.697 1.385 1.00 0.00 H new ATOM 0 HO2' G A 2 -5.004 -6.341 1.879 1.00 0.00 H new ATOM 0 H1' G A 2 -2.910 -7.333 3.698 1.00 0.00 H new ATOM 0 H8 G A 2 0.509 -6.336 2.797 1.00 0.00 H new ATOM 0 H1 G A 2 -2.859 -1.508 5.254 1.00 0.00 H new ATOM 0 H21 G A 2 -5.565 -3.626 4.755 1.00 0.00 H new ATOM 0 H22 G A 2 -4.977 -2.055 5.311 1.00 0.00 H new ATOM 67 P A A 3 -4.029 -7.005 -1.469 1.00 0.00 P ATOM 68 OP1 A A 3 -4.543 -7.773 -2.624 1.00 0.00 O ATOM 69 OP2 A A 3 -3.091 -5.879 -1.687 1.00 0.00 O ATOM 70 O5' A A 3 -5.281 -6.453 -0.620 1.00 0.00 O ATOM 71 C5' A A 3 -6.574 -7.074 -0.709 1.00 0.00 C ATOM 72 C4' A A 3 -7.676 -6.085 -0.346 1.00 0.00 C ATOM 73 O4' A A 3 -7.541 -5.648 1.026 1.00 0.00 O ATOM 74 C3' A A 3 -7.564 -4.845 -1.208 1.00 0.00 C ATOM 75 O3' A A 3 -8.369 -4.923 -2.386 1.00 0.00 O ATOM 76 C2' A A 3 -8.009 -3.739 -0.313 1.00 0.00 C ATOM 77 O2' A A 3 -9.431 -3.565 -0.388 1.00 0.00 O ATOM 78 C1' A A 3 -7.588 -4.199 1.064 1.00 0.00 C ATOM 79 N9 A A 3 -6.255 -3.674 1.367 1.00 0.00 N ATOM 80 C8 A A 3 -5.056 -4.287 1.256 1.00 0.00 C ATOM 81 N7 A A 3 -4.009 -3.604 1.540 1.00 0.00 N ATOM 82 C5 A A 3 -4.567 -2.373 1.888 1.00 0.00 C ATOM 83 C6 A A 3 -4.001 -1.179 2.301 1.00 0.00 C ATOM 84 N6 A A 3 -2.698 -1.021 2.434 1.00 0.00 N ATOM 85 N1 A A 3 -4.825 -0.153 2.567 1.00 0.00 N ATOM 86 C2 A A 3 -6.147 -0.304 2.431 1.00 0.00 C ATOM 87 N3 A A 3 -6.794 -1.401 2.044 1.00 0.00 N ATOM 88 C4 A A 3 -5.935 -2.406 1.787 1.00 0.00 C ATOM 0 H5' A A 3 -6.616 -7.934 -0.040 1.00 0.00 H new ATOM 0 H5'' A A 3 -6.734 -7.448 -1.720 1.00 0.00 H new ATOM 0 H4' A A 3 -8.630 -6.591 -0.497 1.00 0.00 H new ATOM 0 H3' A A 3 -6.550 -4.703 -1.582 1.00 0.00 H new ATOM 0 H2' A A 3 -7.577 -2.775 -0.582 1.00 0.00 H new ATOM 0 HO2' A A 3 -9.794 -4.138 -1.096 1.00 0.00 H new ATOM 0 H1' A A 3 -8.282 -3.847 1.827 1.00 0.00 H new ATOM 0 H8 A A 3 -4.982 -5.317 0.939 1.00 0.00 H new ATOM 0 H61 A A 3 -2.322 -0.124 2.741 1.00 0.00 H new ATOM 0 H62 A A 3 -2.067 -1.796 2.230 1.00 0.00 H new ATOM 0 H2 A A 3 -6.756 0.558 2.660 1.00 0.00 H new ATOM 100 P C A 4 -7.899 -4.142 -3.713 1.00 0.00 P ATOM 101 OP1 C A 4 -9.032 -4.124 -4.665 1.00 0.00 O ATOM 102 OP2 C A 4 -6.589 -4.690 -4.133 1.00 0.00 O ATOM 103 O5' C A 4 -7.665 -2.637 -3.169 1.00 0.00 O ATOM 104 C5' C A 4 -8.775 -1.806 -2.792 1.00 0.00 C ATOM 105 C4' C A 4 -8.317 -0.452 -2.243 1.00 0.00 C ATOM 106 O4' C A 4 -7.506 -0.595 -1.060 1.00 0.00 O ATOM 107 C3' C A 4 -7.466 0.285 -3.251 1.00 0.00 C ATOM 108 O3' C A 4 -8.271 1.078 -4.142 1.00 0.00 O ATOM 109 C2' C A 4 -6.543 1.126 -2.421 1.00 0.00 C ATOM 110 O2' C A 4 -7.033 2.464 -2.272 1.00 0.00 O ATOM 111 C1' C A 4 -6.472 0.424 -1.079 1.00 0.00 C ATOM 112 N1 C A 4 -5.131 -0.162 -0.876 1.00 0.00 N ATOM 113 C2 C A 4 -4.119 0.682 -0.436 1.00 0.00 C ATOM 114 O2 C A 4 -4.351 1.867 -0.224 1.00 0.00 O ATOM 115 N3 C A 4 -2.877 0.165 -0.254 1.00 0.00 N ATOM 116 C4 C A 4 -2.632 -1.126 -0.491 1.00 0.00 C ATOM 117 N4 C A 4 -1.399 -1.590 -0.304 1.00 0.00 N ATOM 118 C5 C A 4 -3.673 -2.005 -0.945 1.00 0.00 C ATOM 119 C6 C A 4 -4.901 -1.480 -1.123 1.00 0.00 C ATOM 0 H5' C A 4 -9.373 -2.319 -2.039 1.00 0.00 H new ATOM 0 H5'' C A 4 -9.419 -1.647 -3.657 1.00 0.00 H new ATOM 0 H4' C A 4 -9.231 0.096 -2.016 1.00 0.00 H new ATOM 0 H3' C A 4 -6.916 -0.393 -3.904 1.00 0.00 H new ATOM 0 H2' C A 4 -5.564 1.223 -2.889 1.00 0.00 H new ATOM 0 HO2' C A 4 -6.339 3.023 -1.865 1.00 0.00 H new ATOM 0 H1' C A 4 -6.637 1.129 -0.264 1.00 0.00 H new ATOM 0 H41 C A 4 -1.192 -2.573 -0.480 1.00 0.00 H new ATOM 0 H42 C A 4 -0.661 -0.962 0.015 1.00 0.00 H new ATOM 0 H5 C A 4 -3.478 -3.050 -1.137 1.00 0.00 H new ATOM 0 H6 C A 4 -5.709 -2.110 -1.464 1.00 0.00 H new HETATM 131 N1 U5P A 5 -2.864 3.331 -3.425 1.00 0.00 N HETATM 132 C2 U5P A 5 -1.607 3.366 -2.847 1.00 0.00 C HETATM 133 N3 U5P A 5 -0.913 2.177 -2.831 1.00 0.00 N HETATM 134 C4 U5P A 5 -1.349 0.971 -3.330 1.00 0.00 C HETATM 135 C5 U5P A 5 -2.667 1.015 -3.917 1.00 0.00 C HETATM 136 C6 U5P A 5 -3.375 2.172 -3.948 1.00 0.00 C HETATM 137 O2 U5P A 5 -1.132 4.391 -2.368 1.00 0.00 O HETATM 138 O4 U5P A 5 -0.641 -0.025 -3.249 1.00 0.00 O HETATM 139 C1' U5P A 5 -3.639 4.592 -3.464 1.00 0.00 C HETATM 140 C2' U5P A 5 -3.527 5.253 -4.828 1.00 0.00 C HETATM 141 O2' U5P A 5 -3.195 6.646 -4.689 1.00 0.00 O HETATM 142 C3' U5P A 5 -4.874 5.077 -5.460 1.00 0.00 C HETATM 143 C4' U5P A 5 -5.822 4.915 -4.292 1.00 0.00 C HETATM 144 O3' U5P A 5 -5.229 6.197 -6.286 1.00 0.00 O HETATM 145 O4' U5P A 5 -5.049 4.346 -3.213 1.00 0.00 O HETATM 146 C5' U5P A 5 -7.012 4.033 -4.662 1.00 0.00 C HETATM 147 O5' U5P A 5 -6.593 2.723 -5.066 1.00 0.00 O HETATM 148 P U5P A 5 -7.669 1.617 -5.539 1.00 0.00 P HETATM 149 O1P U5P A 5 -8.753 2.307 -6.275 1.00 0.00 O HETATM 150 O2P U5P A 5 -6.934 0.506 -6.186 1.00 0.00 O HETATM 0 HO3' U5P A 5 -4.547 6.322 -6.979 1.00 0.00 H new HETATM 0 H5'2 U5P A 5 -7.685 3.953 -3.809 1.00 0.00 H new HETATM 0 H5'1 U5P A 5 -7.575 4.501 -5.470 1.00 0.00 H new HETATM 0 HN3 U5P A 5 0.015 2.192 -2.408 1.00 0.00 H new HETATM 0 H6 U5P A 5 -4.368 2.180 -4.397 1.00 0.00 H new HETATM 0 H5 U5P A 5 -3.099 0.108 -4.340 1.00 0.00 H new HETATM 0 H4' U5P A 5 -6.246 5.874 -3.996 1.00 0.00 H new HETATM 0 H3' U5P A 5 -4.901 4.219 -6.132 1.00 0.00 H new HETATM 0 H2' U5P A 5 -2.738 4.811 -5.436 1.00 0.00 H new HETATM 0 H1' U5P A 5 -3.226 5.240 -2.691 1.00 0.00 H new HETATM 161 N1 U5P A 6 1.685 3.862 -5.273 1.00 0.00 N HETATM 162 C2 U5P A 6 2.398 2.772 -4.811 1.00 0.00 C HETATM 163 N3 U5P A 6 1.862 1.539 -5.094 1.00 0.00 N HETATM 164 C4 U5P A 6 0.694 1.295 -5.788 1.00 0.00 C HETATM 165 C5 U5P A 6 0.013 2.489 -6.234 1.00 0.00 C HETATM 166 C6 U5P A 6 0.520 3.714 -5.967 1.00 0.00 C HETATM 167 O2 U5P A 6 3.447 2.886 -4.187 1.00 0.00 O HETATM 168 O4 U5P A 6 0.315 0.147 -5.983 1.00 0.00 O HETATM 169 C1' U5P A 6 2.214 5.204 -4.992 1.00 0.00 C HETATM 170 C2' U5P A 6 2.299 6.021 -6.267 1.00 0.00 C HETATM 171 O2' U5P A 6 3.613 5.942 -6.840 1.00 0.00 O HETATM 172 C3' U5P A 6 1.963 7.422 -5.855 1.00 0.00 C HETATM 173 C4' U5P A 6 1.254 7.296 -4.509 1.00 0.00 C HETATM 174 O3' U5P A 6 3.143 8.226 -5.747 1.00 0.00 O HETATM 175 O4' U5P A 6 1.325 5.911 -4.104 1.00 0.00 O HETATM 176 C5' U5P A 6 -0.198 7.774 -4.600 1.00 0.00 C HETATM 177 O5' U5P A 6 -0.923 7.112 -5.646 1.00 0.00 O HETATM 178 P U5P A 6 -2.482 7.448 -5.889 1.00 0.00 P HETATM 179 O1P U5P A 6 -2.686 8.897 -5.665 1.00 0.00 O HETATM 180 O2P U5P A 6 -2.903 6.831 -7.171 1.00 0.00 O HETATM 0 HO3' U5P A 6 3.918 7.713 -6.057 1.00 0.00 H new HETATM 0 H5'2 U5P A 6 -0.697 7.598 -3.647 1.00 0.00 H new HETATM 0 H5'1 U5P A 6 -0.214 8.850 -4.774 1.00 0.00 H new HETATM 0 HN3 U5P A 6 2.377 0.725 -4.759 1.00 0.00 H new HETATM 0 H6 U5P A 6 -0.012 4.600 -6.313 1.00 0.00 H new HETATM 0 H5 U5P A 6 -0.919 2.401 -6.792 1.00 0.00 H new HETATM 0 H4' U5P A 6 1.742 7.929 -3.767 1.00 0.00 H new HETATM 0 H3' U5P A 6 1.331 7.916 -6.593 1.00 0.00 H new HETATM 0 H2' U5P A 6 1.618 5.655 -7.035 1.00 0.00 H new HETATM 0 H1' U5P A 6 3.201 5.080 -4.546 1.00 0.00 H new HETATM 191 P C5P A 7 4.125 4.581 -7.541 1.00 0.00 P HETATM 192 O1P C5P A 7 5.060 4.951 -8.625 1.00 0.00 O HETATM 193 O2P C5P A 7 2.948 3.733 -7.842 1.00 0.00 O HETATM 194 O5' C5P A 7 4.973 3.878 -6.363 1.00 0.00 O HETATM 195 C5' C5P A 7 5.436 2.524 -6.494 1.00 0.00 C HETATM 196 C4' C5P A 7 6.884 2.379 -6.025 1.00 0.00 C HETATM 197 O4' C5P A 7 7.699 3.371 -6.673 1.00 0.00 O HETATM 198 C3' C5P A 7 7.028 2.577 -4.515 1.00 0.00 C HETATM 199 O3' C5P A 7 7.761 1.501 -3.921 1.00 0.00 O HETATM 200 C2' C5P A 7 7.753 3.873 -4.340 1.00 0.00 C HETATM 201 O2' C5P A 7 8.744 3.764 -3.294 1.00 0.00 O HETATM 202 C1' C5P A 7 8.414 4.131 -5.681 1.00 0.00 C HETATM 203 N1 C5P A 7 8.339 5.563 -6.014 1.00 0.00 N HETATM 204 C2 C5P A 7 9.519 6.234 -6.301 1.00 0.00 C HETATM 205 N3 C5P A 7 9.447 7.555 -6.616 1.00 0.00 N HETATM 206 C4 C5P A 7 8.272 8.191 -6.648 1.00 0.00 C HETATM 207 C5 C5P A 7 7.050 7.505 -6.352 1.00 0.00 C HETATM 208 C6 C5P A 7 7.127 6.199 -6.042 1.00 0.00 C HETATM 209 O2 C5P A 7 10.595 5.640 -6.265 1.00 0.00 O HETATM 210 N4 C5P A 7 8.246 9.482 -6.965 1.00 0.00 N HETATM 0 HO3' C5P A 7 8.520 1.861 -3.416 1.00 0.00 H new HETATM 0 HN42 C5P A 7 7.358 9.982 -6.994 1.00 0.00 H new HETATM 0 HN41 C5P A 7 9.114 9.972 -7.179 1.00 0.00 H new HETATM 0 H5'2 C5P A 7 4.796 1.862 -5.912 1.00 0.00 H new HETATM 0 H5'1 C5P A 7 5.356 2.210 -7.535 1.00 0.00 H new HETATM 0 H2'1 C5P A 7 7.085 4.683 -4.049 1.00 0.00 H new HETATM 0 H6 C5P A 7 6.218 5.643 -5.811 1.00 0.00 H new HETATM 0 H5 C5P A 7 6.092 8.023 -6.377 1.00 0.00 H new HETATM 0 H4' C5P A 7 7.201 1.367 -6.279 1.00 0.00 H new HETATM 0 H3' C5P A 7 6.055 2.593 -4.025 1.00 0.00 H new HETATM 0 H1' C5P A 7 9.463 3.838 -5.648 1.00 0.00 H new HETATM 222 P 5GP A 8 9.541 5.059 -2.739 1.00 0.00 P HETATM 223 O2P 5GP A 8 10.992 4.764 -2.777 1.00 0.00 O HETATM 224 O3P 5GP A 8 9.013 6.265 -3.418 1.00 0.00 O HETATM 225 O5' 5GP A 8 9.073 5.114 -1.196 1.00 0.00 O HETATM 226 C5' 5GP A 8 9.205 6.329 -0.433 1.00 0.00 C HETATM 227 C4' 5GP A 8 8.022 6.589 0.488 1.00 0.00 C HETATM 228 O4' 5GP A 8 6.772 6.616 -0.232 1.00 0.00 O HETATM 229 C3' 5GP A 8 7.883 5.512 1.545 1.00 0.00 C HETATM 230 O3' 5GP A 8 8.660 5.816 2.710 1.00 0.00 O HETATM 231 C2' 5GP A 8 6.418 5.498 1.863 1.00 0.00 C HETATM 232 O2' 5GP A 8 6.149 6.297 3.029 1.00 0.00 O HETATM 233 C1' 5GP A 8 5.735 6.072 0.623 1.00 0.00 C HETATM 234 N9 5GP A 8 4.954 5.026 -0.067 1.00 0.00 N HETATM 235 C8 5GP A 8 5.275 3.733 -0.324 1.00 0.00 C HETATM 236 N7 5GP A 8 4.380 2.993 -0.881 1.00 0.00 N HETATM 237 C5 5GP A 8 3.318 3.892 -1.025 1.00 0.00 C HETATM 238 C6 5GP A 8 2.024 3.697 -1.573 1.00 0.00 C HETATM 239 O6 5GP A 8 1.529 2.671 -2.030 1.00 0.00 O HETATM 240 N1 5GP A 8 1.275 4.857 -1.526 1.00 0.00 N HETATM 241 C2 5GP A 8 1.702 6.057 -1.020 1.00 0.00 C HETATM 242 N2 5GP A 8 0.834 7.053 -1.072 1.00 0.00 N HETATM 243 N3 5GP A 8 2.910 6.258 -0.500 1.00 0.00 N HETATM 244 C4 5GP A 8 3.666 5.141 -0.532 1.00 0.00 C HETATM 0 HO3' 5GP A 8 8.093 6.260 3.375 1.00 0.00 H new HETATM 0 HN22 5GP A 8 1.090 7.972 -0.712 1.00 0.00 H new HETATM 0 HN21 5GP A 8 -0.092 6.902 -1.472 1.00 0.00 H new HETATM 0 H5'2 5GP A 8 10.117 6.280 0.162 1.00 0.00 H new HETATM 0 H5'1 5GP A 8 9.316 7.170 -1.117 1.00 0.00 H new HETATM 0 HN1 5GP A 8 0.326 4.817 -1.898 1.00 0.00 H new HETATM 0 H8 5GP A 8 6.257 3.334 -0.068 1.00 0.00 H new HETATM 0 H4' 5GP A 8 8.225 7.558 0.945 1.00 0.00 H new HETATM 0 H3' 5GP A 8 8.246 4.545 1.198 1.00 0.00 H new HETATM 0 H2' 5GP A 8 6.053 4.497 2.090 1.00 0.00 H new HETATM 0 H1' 5GP A 8 5.032 6.859 0.895 1.00 0.00 H new ATOM 256 P G A 9 5.587 5.621 4.382 1.00 0.00 P ATOM 257 OP1 G A 9 6.280 6.240 5.535 1.00 0.00 O ATOM 258 OP2 G A 9 5.607 4.151 4.210 1.00 0.00 O ATOM 259 O5' G A 9 4.052 6.104 4.391 1.00 0.00 O ATOM 260 C5' G A 9 3.732 7.506 4.398 1.00 0.00 C ATOM 261 C4' G A 9 2.406 7.810 3.728 1.00 0.00 C ATOM 262 O4' G A 9 2.382 7.358 2.352 1.00 0.00 O ATOM 263 C3' G A 9 1.265 7.103 4.422 1.00 0.00 C ATOM 264 O3' G A 9 0.728 7.866 5.514 1.00 0.00 O ATOM 265 C2' G A 9 0.262 6.913 3.335 1.00 0.00 C ATOM 266 O2' G A 9 -0.600 8.050 3.225 1.00 0.00 O ATOM 267 C1' G A 9 1.092 6.740 2.088 1.00 0.00 C ATOM 268 N9 G A 9 1.229 5.302 1.778 1.00 0.00 N ATOM 269 C8 G A 9 2.308 4.494 1.880 1.00 0.00 C ATOM 270 N7 G A 9 2.154 3.248 1.564 1.00 0.00 N ATOM 271 C5 G A 9 0.799 3.208 1.203 1.00 0.00 C ATOM 272 C6 G A 9 -0.010 2.119 0.754 1.00 0.00 C ATOM 273 O6 G A 9 0.305 0.942 0.572 1.00 0.00 O ATOM 274 N1 G A 9 -1.313 2.525 0.510 1.00 0.00 N ATOM 275 C2 G A 9 -1.789 3.809 0.671 1.00 0.00 C ATOM 276 N2 G A 9 -3.066 4.009 0.399 1.00 0.00 N ATOM 277 N3 G A 9 -1.046 4.828 1.085 1.00 0.00 N ATOM 278 C4 G A 9 0.229 4.466 1.334 1.00 0.00 C ATOM 0 H5' G A 9 4.524 8.057 3.892 1.00 0.00 H new ATOM 0 H5'' G A 9 3.704 7.862 5.428 1.00 0.00 H new ATOM 0 H4' G A 9 2.293 8.893 3.782 1.00 0.00 H new ATOM 0 H3' G A 9 1.578 6.166 4.882 1.00 0.00 H new ATOM 0 H2' G A 9 -0.393 6.061 3.520 1.00 0.00 H new ATOM 0 HO2' G A 9 -0.376 8.699 3.924 1.00 0.00 H new ATOM 0 H1' G A 9 0.627 7.210 1.222 1.00 0.00 H new ATOM 0 H8 G A 9 3.263 4.874 2.213 1.00 0.00 H new ATOM 0 H1 G A 9 -1.972 1.817 0.185 1.00 0.00 H new ATOM 0 H21 G A 9 -3.469 4.940 0.501 1.00 0.00 H new ATOM 0 H22 G A 9 -3.649 3.232 0.087 1.00 0.00 H new ATOM 290 P U A 10 -0.201 7.154 6.629 1.00 0.00 P ATOM 291 OP1 U A 10 -0.496 8.151 7.682 1.00 0.00 O ATOM 292 OP2 U A 10 0.409 5.853 6.992 1.00 0.00 O ATOM 293 O5' U A 10 -1.562 6.852 5.816 1.00 0.00 O ATOM 294 C5' U A 10 -2.576 7.858 5.680 1.00 0.00 C ATOM 295 C4' U A 10 -3.943 7.245 5.387 1.00 0.00 C ATOM 296 O4' U A 10 -3.991 6.625 4.079 1.00 0.00 O ATOM 297 C3' U A 10 -4.271 6.159 6.385 1.00 0.00 C ATOM 298 O3' U A 10 -4.914 6.672 7.559 1.00 0.00 O ATOM 299 C2' U A 10 -5.152 5.226 5.622 1.00 0.00 C ATOM 300 O2' U A 10 -6.528 5.615 5.730 1.00 0.00 O ATOM 301 C1' U A 10 -4.666 5.342 4.192 1.00 0.00 C ATOM 302 N1 U A 10 -3.747 4.230 3.879 1.00 0.00 N ATOM 303 C2 U A 10 -4.306 3.022 3.499 1.00 0.00 C ATOM 304 O2 U A 10 -5.517 2.860 3.390 1.00 0.00 O ATOM 305 N3 U A 10 -3.423 2.000 3.255 1.00 0.00 N ATOM 306 C4 U A 10 -2.049 2.068 3.354 1.00 0.00 C ATOM 307 O4 U A 10 -1.357 1.091 3.126 1.00 0.00 O ATOM 308 C5 U A 10 -1.547 3.354 3.751 1.00 0.00 C ATOM 309 C6 U A 10 -2.391 4.384 3.996 1.00 0.00 C ATOM 0 H5' U A 10 -2.304 8.542 4.876 1.00 0.00 H new ATOM 0 H5'' U A 10 -2.630 8.447 6.596 1.00 0.00 H new ATOM 0 H4' U A 10 -4.656 8.068 5.443 1.00 0.00 H new ATOM 0 H3' U A 10 -3.377 5.668 6.769 1.00 0.00 H new ATOM 0 H2' U A 10 -5.101 4.204 5.998 1.00 0.00 H new ATOM 0 HO2' U A 10 -6.648 6.174 6.526 1.00 0.00 H new ATOM 0 H1' U A 10 -5.494 5.285 3.485 1.00 0.00 H new ATOM 0 H3 U A 10 -3.821 1.104 2.973 1.00 0.00 H new ATOM 0 H5 U A 10 -0.482 3.501 3.855 1.00 0.00 H new ATOM 0 H6 U A 10 -1.988 5.343 4.288 1.00 0.00 H new ATOM 320 P C A 11 -4.508 6.086 9.007 1.00 0.00 P ATOM 321 OP1 C A 11 -5.251 6.843 10.041 1.00 0.00 O ATOM 322 OP2 C A 11 -3.031 6.001 9.072 1.00 0.00 O ATOM 323 O5' C A 11 -5.097 4.583 8.952 1.00 0.00 O ATOM 324 C5' C A 11 -6.514 4.351 8.987 1.00 0.00 C ATOM 325 C4' C A 11 -6.893 3.005 8.364 1.00 0.00 C ATOM 326 O4' C A 11 -6.364 2.877 7.026 1.00 0.00 O ATOM 327 C3' C A 11 -6.334 1.835 9.148 1.00 0.00 C ATOM 328 O3' C A 11 -7.198 1.415 10.209 1.00 0.00 O ATOM 329 C2' C A 11 -6.170 0.770 8.118 1.00 0.00 C ATOM 330 O2' C A 11 -7.361 -0.008 7.962 1.00 0.00 O ATOM 331 C1' C A 11 -5.856 1.527 6.855 1.00 0.00 C ATOM 332 N1 C A 11 -4.400 1.517 6.643 1.00 0.00 N ATOM 333 C2 C A 11 -3.850 0.400 6.043 1.00 0.00 C ATOM 334 O2 C A 11 -4.564 -0.537 5.707 1.00 0.00 O ATOM 335 N3 C A 11 -2.509 0.361 5.853 1.00 0.00 N ATOM 336 C4 C A 11 -1.736 1.375 6.234 1.00 0.00 C ATOM 337 N4 C A 11 -0.425 1.291 6.031 1.00 0.00 N ATOM 338 C5 C A 11 -2.301 2.539 6.857 1.00 0.00 C ATOM 339 C6 C A 11 -3.631 2.562 7.043 1.00 0.00 C ATOM 0 H5' C A 11 -7.025 5.153 8.455 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.861 4.382 10.020 1.00 0.00 H new ATOM 0 H4' C A 11 -7.983 2.984 8.366 1.00 0.00 H new ATOM 0 H3' C A 11 -5.402 2.090 9.653 1.00 0.00 H new ATOM 0 H2' C A 11 -5.393 0.056 8.390 1.00 0.00 H new ATOM 0 HO2' C A 11 -7.131 -0.961 7.955 1.00 0.00 H new ATOM 0 H1' C A 11 -6.321 1.074 5.979 1.00 0.00 H new ATOM 0 H41 C A 11 0.185 2.057 6.316 1.00 0.00 H new ATOM 0 H42 C A 11 -0.029 0.460 5.591 1.00 0.00 H new ATOM 0 H5 C A 11 -1.679 3.366 7.165 1.00 0.00 H new ATOM 0 H6 C A 11 -4.092 3.418 7.514 1.00 0.00 H new ATOM 351 P C A 12 -6.666 0.348 11.295 1.00 0.00 P ATOM 352 OP1 C A 12 -7.624 0.311 12.419 1.00 0.00 O ATOM 353 OP2 C A 12 -5.233 0.624 11.554 1.00 0.00 O ATOM 354 O5' C A 12 -6.765 -1.053 10.497 1.00 0.00 O ATOM 355 C5' C A 12 -8.038 -1.651 10.212 1.00 0.00 C ATOM 356 C4' C A 12 -7.881 -3.003 9.515 1.00 0.00 C ATOM 357 O4' C A 12 -7.099 -2.887 8.304 1.00 0.00 O ATOM 358 C3' C A 12 -7.165 -3.999 10.406 1.00 0.00 C ATOM 359 O3' C A 12 -8.087 -4.774 11.183 1.00 0.00 O ATOM 360 C2' C A 12 -6.387 -4.860 9.463 1.00 0.00 C ATOM 361 O2' C A 12 -7.135 -6.034 9.113 1.00 0.00 O ATOM 362 C1' C A 12 -6.151 -3.986 8.241 1.00 0.00 C ATOM 363 N1 C A 12 -4.758 -3.483 8.214 1.00 0.00 N ATOM 364 C2 C A 12 -3.787 -4.291 7.628 1.00 0.00 C ATOM 365 O2 C A 12 -4.085 -5.384 7.149 1.00 0.00 O ATOM 366 N3 C A 12 -2.505 -3.842 7.606 1.00 0.00 N ATOM 367 C4 C A 12 -2.183 -2.658 8.133 1.00 0.00 C ATOM 368 N4 C A 12 -0.921 -2.258 8.102 1.00 0.00 N ATOM 369 C5 C A 12 -3.171 -1.822 8.735 1.00 0.00 C ATOM 370 C6 C A 12 -4.440 -2.269 8.755 1.00 0.00 C ATOM 0 H5' C A 12 -8.622 -0.981 9.581 1.00 0.00 H new ATOM 0 H5'' C A 12 -8.595 -1.782 11.140 1.00 0.00 H new ATOM 0 H4' C A 12 -8.891 -3.344 9.286 1.00 0.00 H new ATOM 0 H3' C A 12 -6.523 -3.504 11.135 1.00 0.00 H new ATOM 0 H2' C A 12 -5.453 -5.211 9.902 1.00 0.00 H new ATOM 0 HO2' C A 12 -7.901 -6.126 9.717 1.00 0.00 H new ATOM 0 HO3' C A 12 -7.591 -5.406 11.744 1.00 0.00 H new ATOM 0 H1' C A 12 -6.297 -4.561 7.327 1.00 0.00 H new ATOM 0 H41 C A 12 -0.662 -1.356 8.501 1.00 0.00 H new ATOM 0 H42 C A 12 -0.208 -2.852 7.679 1.00 0.00 H new ATOM 0 H5 C A 12 -2.909 -0.864 9.160 1.00 0.00 H new ATOM 0 H6 C A 12 -5.214 -1.663 9.202 1.00 0.00 H new TER 383 C A 12