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 -22:sc= 0.42 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -14:sc= -0.623 USER MOD Single : A 3 C O2' : rot -15:sc= 0.41 USER MOD Single : A 4 C O2' : rot -33:sc= 0.297 USER MOD Single : A 5 U O2' : rot -16:sc= 0.391 USER MOD Single : A 6 G O2' : rot -143:sc= -7.07! USER MOD Single : A 7 A O2' : rot 124:sc= -7! USER MOD Single : A 8 U O2' : rot 138:sc= 0.643 USER MOD Single : A 9 A O2' : rot -82:sc= 0.76 USER MOD Single : A 10 G O2' : rot -73:sc= 0.791 USER MOD Single : A 11 G O2' : rot -22:sc= 0.392 USER MOD Single : A 12 G O2' : rot -18:sc= 0.413 USER MOD Single : A 13 U O2' : rot -23:sc= 0.241 USER MOD Single : A 14 C O2' : rot -28:sc= 0.204 USER MOD Single : A 14 C O3' : rot 180:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -6.600 -0.487 8.293 1.00 0.00 O ATOM 2 C5' G A 1 -5.209 -0.457 7.964 1.00 0.00 C ATOM 3 C4' G A 1 -4.481 -1.688 8.494 1.00 0.00 C ATOM 4 O4' G A 1 -4.761 -2.803 7.640 1.00 0.00 O ATOM 5 C3' G A 1 -2.966 -1.582 8.489 1.00 0.00 C ATOM 6 O3' G A 1 -2.570 -1.128 9.788 1.00 0.00 O ATOM 7 C2' G A 1 -2.516 -3.028 8.359 1.00 0.00 C ATOM 8 O2' G A 1 -2.535 -3.683 9.633 1.00 0.00 O ATOM 9 C1' G A 1 -3.589 -3.611 7.443 1.00 0.00 C ATOM 10 N9 G A 1 -3.207 -3.549 6.016 1.00 0.00 N ATOM 11 C8 G A 1 -3.257 -2.475 5.163 1.00 0.00 C ATOM 12 N7 G A 1 -2.849 -2.746 3.955 1.00 0.00 N ATOM 13 C5 G A 1 -2.503 -4.091 4.009 1.00 0.00 C ATOM 14 C6 G A 1 -1.992 -4.942 2.990 1.00 0.00 C ATOM 15 O6 G A 1 -1.744 -4.665 1.819 1.00 0.00 O ATOM 16 N1 G A 1 -1.777 -6.228 3.459 1.00 0.00 N ATOM 17 C2 G A 1 -2.022 -6.650 4.746 1.00 0.00 C ATOM 18 N2 G A 1 -1.755 -7.927 5.025 1.00 0.00 N ATOM 19 N3 G A 1 -2.502 -5.860 5.711 1.00 0.00 N ATOM 20 C4 G A 1 -2.718 -4.596 5.269 1.00 0.00 C ATOM 0 H5' G A 1 -4.755 0.442 8.380 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.091 -0.402 6.882 1.00 0.00 H new ATOM 0 H4' G A 1 -4.833 -1.795 9.520 1.00 0.00 H new ATOM 0 H3' G A 1 -2.568 -0.923 7.717 1.00 0.00 H new ATOM 0 H2' G A 1 -1.499 -3.141 7.983 1.00 0.00 H new ATOM 0 HO2' G A 1 -2.493 -3.012 10.346 1.00 0.00 H new ATOM 0 HO5' G A 1 -7.037 0.316 7.940 1.00 0.00 H new ATOM 0 H1' G A 1 -3.744 -4.662 7.686 1.00 0.00 H new ATOM 0 H8 G A 1 -3.602 -1.497 5.464 1.00 0.00 H new ATOM 0 H1 G A 1 -1.409 -6.914 2.800 1.00 0.00 H new ATOM 0 H21 G A 1 -1.919 -8.289 5.964 1.00 0.00 H new ATOM 0 H22 G A 1 -1.387 -8.541 4.299 1.00 0.00 H new ATOM 33 P G A 2 -1.251 -0.221 9.977 1.00 0.00 P ATOM 34 OP1 G A 2 -1.113 0.102 11.414 1.00 0.00 O ATOM 35 OP2 G A 2 -1.293 0.870 8.976 1.00 0.00 O ATOM 36 O5' G A 2 -0.066 -1.238 9.573 1.00 0.00 O ATOM 37 C5' G A 2 0.912 -0.872 8.593 1.00 0.00 C ATOM 38 C4' G A 2 2.177 -1.715 8.718 1.00 0.00 C ATOM 39 O4' G A 2 1.819 -3.101 8.749 1.00 0.00 O ATOM 40 C3' G A 2 3.137 -1.602 7.544 1.00 0.00 C ATOM 41 O3' G A 2 4.093 -0.590 7.874 1.00 0.00 O ATOM 42 C2' G A 2 3.863 -2.938 7.566 1.00 0.00 C ATOM 43 O2' G A 2 4.908 -2.931 8.542 1.00 0.00 O ATOM 44 C1' G A 2 2.746 -3.892 7.984 1.00 0.00 C ATOM 45 N9 G A 2 2.033 -4.461 6.823 1.00 0.00 N ATOM 46 C8 G A 2 0.754 -4.211 6.398 1.00 0.00 C ATOM 47 N7 G A 2 0.415 -4.875 5.332 1.00 0.00 N ATOM 48 C5 G A 2 1.547 -5.617 5.024 1.00 0.00 C ATOM 49 C6 G A 2 1.772 -6.529 3.960 1.00 0.00 C ATOM 50 O6 G A 2 0.998 -6.862 3.067 1.00 0.00 O ATOM 51 N1 G A 2 3.048 -7.064 4.007 1.00 0.00 N ATOM 52 C2 G A 2 3.997 -6.762 4.958 1.00 0.00 C ATOM 53 N2 G A 2 5.178 -7.369 4.848 1.00 0.00 N ATOM 54 N3 G A 2 3.796 -5.906 5.963 1.00 0.00 N ATOM 55 C4 G A 2 2.550 -5.372 5.931 1.00 0.00 C ATOM 0 H5' G A 2 1.164 0.182 8.706 1.00 0.00 H new ATOM 0 H5'' G A 2 0.491 -0.993 7.595 1.00 0.00 H new ATOM 0 H4' G A 2 2.663 -1.345 9.621 1.00 0.00 H new ATOM 0 H3' G A 2 2.656 -1.372 6.593 1.00 0.00 H new ATOM 0 H2' G A 2 4.342 -3.197 6.622 1.00 0.00 H new ATOM 0 HO2' G A 2 5.082 -2.010 8.828 1.00 0.00 H new ATOM 0 H1' G A 2 3.165 -4.728 8.544 1.00 0.00 H new ATOM 0 H8 G A 2 0.089 -3.526 6.902 1.00 0.00 H new ATOM 0 H1 G A 2 3.305 -7.733 3.281 1.00 0.00 H new ATOM 0 H21 G A 2 5.914 -7.179 5.528 1.00 0.00 H new ATOM 0 H22 G A 2 5.346 -8.024 4.084 1.00 0.00 H new ATOM 67 P C A 3 4.812 0.268 6.714 1.00 0.00 P ATOM 68 OP1 C A 3 5.885 1.075 7.334 1.00 0.00 O ATOM 69 OP2 C A 3 3.760 0.931 5.911 1.00 0.00 O ATOM 70 O5' C A 3 5.495 -0.871 5.804 1.00 0.00 O ATOM 71 C5' C A 3 6.677 -1.548 6.243 1.00 0.00 C ATOM 72 C4' C A 3 7.207 -2.498 5.174 1.00 0.00 C ATOM 73 O4' C A 3 6.340 -3.632 5.080 1.00 0.00 O ATOM 74 C3' C A 3 7.233 -1.923 3.769 1.00 0.00 C ATOM 75 O3' C A 3 8.544 -1.389 3.561 1.00 0.00 O ATOM 76 C2' C A 3 7.098 -3.152 2.883 1.00 0.00 C ATOM 77 O2' C A 3 8.366 -3.792 2.707 1.00 0.00 O ATOM 78 C1' C A 3 6.164 -4.036 3.709 1.00 0.00 C ATOM 79 N1 C A 3 4.741 -3.861 3.337 1.00 0.00 N ATOM 80 C2 C A 3 4.215 -4.713 2.373 1.00 0.00 C ATOM 81 O2 C A 3 4.925 -5.567 1.844 1.00 0.00 O ATOM 82 N3 C A 3 2.905 -4.581 2.030 1.00 0.00 N ATOM 83 C4 C A 3 2.137 -3.649 2.609 1.00 0.00 C ATOM 84 N4 C A 3 0.860 -3.576 2.237 1.00 0.00 N ATOM 85 C5 C A 3 2.671 -2.768 3.598 1.00 0.00 C ATOM 86 C6 C A 3 3.966 -2.906 3.932 1.00 0.00 C ATOM 0 H5' C A 3 6.460 -2.107 7.153 1.00 0.00 H new ATOM 0 H5'' C A 3 7.445 -0.816 6.494 1.00 0.00 H new ATOM 0 H4' C A 3 8.225 -2.725 5.490 1.00 0.00 H new ATOM 0 H3' C A 3 6.475 -1.162 3.584 1.00 0.00 H new ATOM 0 H2' C A 3 6.733 -2.934 1.879 1.00 0.00 H new ATOM 0 HO2' C A 3 9.082 -3.182 2.983 1.00 0.00 H new ATOM 0 H1' C A 3 6.408 -5.084 3.537 1.00 0.00 H new ATOM 0 H41 C A 3 0.246 -2.878 2.657 1.00 0.00 H new ATOM 0 H42 C A 3 0.497 -4.218 1.532 1.00 0.00 H new ATOM 0 H5 C A 3 2.054 -2.014 4.063 1.00 0.00 H new ATOM 0 H6 C A 3 4.398 -2.255 4.678 1.00 0.00 H new ATOM 98 P C A 4 8.742 0.049 2.862 1.00 0.00 P ATOM 99 OP1 C A 4 10.170 0.424 2.974 1.00 0.00 O ATOM 100 OP2 C A 4 7.697 0.963 3.376 1.00 0.00 O ATOM 101 O5' C A 4 8.421 -0.266 1.317 1.00 0.00 O ATOM 102 C5' C A 4 9.276 -1.120 0.551 1.00 0.00 C ATOM 103 C4' C A 4 8.785 -1.262 -0.887 1.00 0.00 C ATOM 104 O4' C A 4 7.812 -2.312 -0.952 1.00 0.00 O ATOM 105 C3' C A 4 8.047 -0.050 -1.430 1.00 0.00 C ATOM 106 O3' C A 4 9.015 0.783 -2.077 1.00 0.00 O ATOM 107 C2' C A 4 7.164 -0.654 -2.508 1.00 0.00 C ATOM 108 O2' C A 4 7.917 -0.920 -3.694 1.00 0.00 O ATOM 109 C1' C A 4 6.735 -1.956 -1.839 1.00 0.00 C ATOM 110 N1 C A 4 5.512 -1.769 -1.034 1.00 0.00 N ATOM 111 C2 C A 4 4.293 -2.089 -1.614 1.00 0.00 C ATOM 112 O2 C A 4 4.246 -2.542 -2.757 1.00 0.00 O ATOM 113 N3 C A 4 3.155 -1.888 -0.893 1.00 0.00 N ATOM 114 C4 C A 4 3.215 -1.390 0.350 1.00 0.00 C ATOM 115 N4 C A 4 2.067 -1.209 1.003 1.00 0.00 N ATOM 116 C5 C A 4 4.468 -1.061 0.951 1.00 0.00 C ATOM 117 C6 C A 4 5.580 -1.267 0.231 1.00 0.00 C ATOM 0 H5' C A 4 9.323 -2.103 1.019 1.00 0.00 H new ATOM 0 H5'' C A 4 10.289 -0.718 0.552 1.00 0.00 H new ATOM 0 H4' C A 4 9.692 -1.432 -1.467 1.00 0.00 H new ATOM 0 H3' C A 4 7.505 0.523 -0.678 1.00 0.00 H new ATOM 0 H2' C A 4 6.340 -0.015 -2.826 1.00 0.00 H new ATOM 0 HO2' C A 4 8.617 -0.242 -3.796 1.00 0.00 H new ATOM 0 H1' C A 4 6.526 -2.718 -2.590 1.00 0.00 H new ATOM 0 H41 C A 4 2.073 -0.832 1.951 1.00 0.00 H new ATOM 0 H42 C A 4 1.182 -1.448 0.555 1.00 0.00 H new ATOM 0 H5 C A 4 4.518 -0.660 1.952 1.00 0.00 H new ATOM 0 H6 C A 4 6.543 -1.032 0.660 1.00 0.00 H new ATOM 129 P U A 5 8.648 2.296 -2.492 1.00 0.00 P ATOM 130 OP1 U A 5 9.788 2.858 -3.249 1.00 0.00 O ATOM 131 OP2 U A 5 8.145 2.997 -1.289 1.00 0.00 O ATOM 132 O5' U A 5 7.414 2.090 -3.507 1.00 0.00 O ATOM 133 C5' U A 5 7.354 2.806 -4.745 1.00 0.00 C ATOM 134 C4' U A 5 5.920 3.065 -5.179 1.00 0.00 C ATOM 135 O4' U A 5 5.079 2.023 -4.680 1.00 0.00 O ATOM 136 C3' U A 5 5.311 4.334 -4.615 1.00 0.00 C ATOM 137 O3' U A 5 5.547 5.374 -5.572 1.00 0.00 O ATOM 138 C2' U A 5 3.821 4.035 -4.625 1.00 0.00 C ATOM 139 O2' U A 5 3.263 4.276 -5.921 1.00 0.00 O ATOM 140 C1' U A 5 3.795 2.541 -4.300 1.00 0.00 C ATOM 141 N1 U A 5 3.578 2.279 -2.858 1.00 0.00 N ATOM 142 C2 U A 5 2.268 2.219 -2.408 1.00 0.00 C ATOM 143 O2 U A 5 1.302 2.375 -3.153 1.00 0.00 O ATOM 144 N3 U A 5 2.105 1.969 -1.060 1.00 0.00 N ATOM 145 C4 U A 5 3.116 1.781 -0.138 1.00 0.00 C ATOM 146 O4 U A 5 2.840 1.566 1.040 1.00 0.00 O ATOM 147 C5 U A 5 4.451 1.860 -0.681 1.00 0.00 C ATOM 148 C6 U A 5 4.635 2.102 -2.001 1.00 0.00 C ATOM 0 H5' U A 5 7.871 2.238 -5.519 1.00 0.00 H new ATOM 0 H5'' U A 5 7.879 3.755 -4.642 1.00 0.00 H new ATOM 0 H4' U A 5 5.971 3.133 -6.266 1.00 0.00 H new ATOM 0 H3' U A 5 5.698 4.622 -3.637 1.00 0.00 H new ATOM 0 H2' U A 5 3.244 4.650 -3.935 1.00 0.00 H new ATOM 0 HO2' U A 5 3.885 4.819 -6.449 1.00 0.00 H new ATOM 0 H1' U A 5 2.971 2.068 -4.834 1.00 0.00 H new ATOM 0 H3 U A 5 1.147 1.918 -0.712 1.00 0.00 H new ATOM 0 H5 U A 5 5.305 1.726 -0.034 1.00 0.00 H new ATOM 0 H6 U A 5 5.641 2.157 -2.390 1.00 0.00 H new ATOM 159 P G A 6 6.046 6.831 -5.096 1.00 0.00 P ATOM 160 OP1 G A 6 6.428 7.605 -6.298 1.00 0.00 O ATOM 161 OP2 G A 6 7.017 6.652 -3.994 1.00 0.00 O ATOM 162 O5' G A 6 4.703 7.475 -4.486 1.00 0.00 O ATOM 163 C5' G A 6 3.572 7.734 -5.323 1.00 0.00 C ATOM 164 C4' G A 6 2.263 7.604 -4.553 1.00 0.00 C ATOM 165 O4' G A 6 2.296 6.417 -3.770 1.00 0.00 O ATOM 166 C3' G A 6 2.005 8.694 -3.527 1.00 0.00 C ATOM 167 O3' G A 6 1.183 9.685 -4.152 1.00 0.00 O ATOM 168 C2' G A 6 1.161 8.004 -2.444 1.00 0.00 C ATOM 169 O2' G A 6 -0.206 8.355 -2.558 1.00 0.00 O ATOM 170 C1' G A 6 1.315 6.516 -2.738 1.00 0.00 C ATOM 171 N9 G A 6 1.772 5.777 -1.547 1.00 0.00 N ATOM 172 C8 G A 6 3.049 5.436 -1.187 1.00 0.00 C ATOM 173 N7 G A 6 3.125 4.828 -0.036 1.00 0.00 N ATOM 174 C5 G A 6 1.806 4.763 0.398 1.00 0.00 C ATOM 175 C6 G A 6 1.263 4.211 1.591 1.00 0.00 C ATOM 176 O6 G A 6 1.857 3.665 2.518 1.00 0.00 O ATOM 177 N1 G A 6 -0.116 4.352 1.639 1.00 0.00 N ATOM 178 C2 G A 6 -0.882 4.950 0.664 1.00 0.00 C ATOM 179 N2 G A 6 -2.197 5.008 0.875 1.00 0.00 N ATOM 180 N3 G A 6 -0.381 5.472 -0.458 1.00 0.00 N ATOM 181 C4 G A 6 0.965 5.342 -0.522 1.00 0.00 C ATOM 0 H5' G A 6 3.572 7.038 -6.162 1.00 0.00 H new ATOM 0 H5'' G A 6 3.651 8.737 -5.742 1.00 0.00 H new ATOM 0 H4' G A 6 1.497 7.638 -5.328 1.00 0.00 H new ATOM 0 H3' G A 6 2.917 9.147 -3.138 1.00 0.00 H new ATOM 0 H2' G A 6 1.484 8.290 -1.443 1.00 0.00 H new ATOM 0 HO2' G A 6 -0.596 8.447 -1.664 1.00 0.00 H new ATOM 0 H1' G A 6 0.359 6.084 -3.034 1.00 0.00 H new ATOM 0 H8 G A 6 3.912 5.651 -1.799 1.00 0.00 H new ATOM 0 H1 G A 6 -0.599 3.985 2.459 1.00 0.00 H new ATOM 0 H21 G A 6 -2.806 5.442 0.181 1.00 0.00 H new ATOM 0 H22 G A 6 -2.594 4.619 1.730 1.00 0.00 H new ATOM 193 P A A 7 0.863 11.084 -3.410 1.00 0.00 P ATOM 194 OP1 A A 7 0.922 12.166 -4.416 1.00 0.00 O ATOM 195 OP2 A A 7 1.692 11.167 -2.185 1.00 0.00 O ATOM 196 O5' A A 7 -0.674 10.891 -2.966 1.00 0.00 O ATOM 197 C5' A A 7 -1.514 10.007 -3.708 1.00 0.00 C ATOM 198 C4' A A 7 -2.790 9.647 -2.975 1.00 0.00 C ATOM 199 O4' A A 7 -2.464 8.768 -1.889 1.00 0.00 O ATOM 200 C3' A A 7 -3.509 10.811 -2.330 1.00 0.00 C ATOM 201 O3' A A 7 -4.859 10.340 -2.166 1.00 0.00 O ATOM 202 C2' A A 7 -2.799 10.906 -0.977 1.00 0.00 C ATOM 203 O2' A A 7 -3.611 11.543 -0.006 1.00 0.00 O ATOM 204 C1' A A 7 -2.581 9.437 -0.629 1.00 0.00 C ATOM 205 N9 A A 7 -1.332 9.208 0.137 1.00 0.00 N ATOM 206 C8 A A 7 -0.072 9.699 -0.111 1.00 0.00 C ATOM 207 N7 A A 7 0.825 9.299 0.743 1.00 0.00 N ATOM 208 C5 A A 7 0.117 8.489 1.619 1.00 0.00 C ATOM 209 C6 A A 7 0.496 7.757 2.754 1.00 0.00 C ATOM 210 N6 A A 7 1.744 7.718 3.223 1.00 0.00 N ATOM 211 N1 A A 7 -0.452 7.058 3.395 1.00 0.00 N ATOM 212 C2 A A 7 -1.695 7.088 2.933 1.00 0.00 C ATOM 213 N3 A A 7 -2.178 7.731 1.881 1.00 0.00 N ATOM 214 C4 A A 7 -1.200 8.423 1.261 1.00 0.00 C ATOM 0 H5' A A 7 -0.962 9.095 -3.934 1.00 0.00 H new ATOM 0 H5'' A A 7 -1.768 10.471 -4.661 1.00 0.00 H new ATOM 0 H4' A A 7 -3.438 9.217 -3.738 1.00 0.00 H new ATOM 0 H3' A A 7 -3.510 11.765 -2.857 1.00 0.00 H new ATOM 0 H2' A A 7 -1.883 11.496 -1.007 1.00 0.00 H new ATOM 0 HO2' A A 7 -3.720 10.952 0.768 1.00 0.00 H new ATOM 0 H1' A A 7 -3.401 9.079 -0.007 1.00 0.00 H new ATOM 0 H8 A A 7 0.153 10.356 -0.938 1.00 0.00 H new ATOM 0 H61 A A 7 1.960 7.167 4.054 1.00 0.00 H new ATOM 0 H62 A A 7 2.483 8.239 2.751 1.00 0.00 H new ATOM 0 H2 A A 7 -2.413 6.507 3.493 1.00 0.00 H new ATOM 226 P U A 8 -6.006 11.100 -1.325 1.00 0.00 P ATOM 227 OP1 U A 8 -7.269 11.005 -2.088 1.00 0.00 O ATOM 228 OP2 U A 8 -5.514 12.426 -0.888 1.00 0.00 O ATOM 229 O5' U A 8 -6.121 10.125 -0.051 1.00 0.00 O ATOM 230 C5' U A 8 -5.990 8.711 -0.257 1.00 0.00 C ATOM 231 C4' U A 8 -5.614 7.961 1.018 1.00 0.00 C ATOM 232 O4' U A 8 -4.496 8.598 1.643 1.00 0.00 O ATOM 233 C3' U A 8 -6.704 7.931 2.083 1.00 0.00 C ATOM 234 O3' U A 8 -6.524 6.723 2.833 1.00 0.00 O ATOM 235 C2' U A 8 -6.320 9.091 2.979 1.00 0.00 C ATOM 236 O2' U A 8 -6.865 8.939 4.292 1.00 0.00 O ATOM 237 C1' U A 8 -4.814 8.949 2.989 1.00 0.00 C ATOM 238 N1 U A 8 -4.116 10.200 3.336 1.00 0.00 N ATOM 239 C2 U A 8 -3.984 10.517 4.678 1.00 0.00 C ATOM 240 O2 U A 8 -4.426 9.800 5.575 1.00 0.00 O ATOM 241 N3 U A 8 -3.317 11.693 4.958 1.00 0.00 N ATOM 242 C4 U A 8 -2.782 12.566 4.030 1.00 0.00 C ATOM 243 O4 U A 8 -2.209 13.586 4.404 1.00 0.00 O ATOM 244 C5 U A 8 -2.961 12.167 2.653 1.00 0.00 C ATOM 245 C6 U A 8 -3.613 11.015 2.357 1.00 0.00 C ATOM 0 H5' U A 8 -5.232 8.528 -1.018 1.00 0.00 H new ATOM 0 H5'' U A 8 -6.930 8.316 -0.642 1.00 0.00 H new ATOM 0 H4' U A 8 -5.414 6.943 0.685 1.00 0.00 H new ATOM 0 H3' U A 8 -7.722 7.985 1.696 1.00 0.00 H new ATOM 0 H2' U A 8 -6.683 10.062 2.643 1.00 0.00 H new ATOM 0 HO2' U A 8 -6.194 9.199 4.957 1.00 0.00 H new ATOM 0 H1' U A 8 -4.501 8.220 3.737 1.00 0.00 H new ATOM 0 H3 U A 8 -3.209 11.940 5.942 1.00 0.00 H new ATOM 0 H5 U A 8 -2.575 12.787 1.858 1.00 0.00 H new ATOM 0 H6 U A 8 -3.739 10.733 1.322 1.00 0.00 H new ATOM 256 P A A 9 -7.790 5.856 3.334 1.00 0.00 P ATOM 257 OP1 A A 9 -8.404 6.558 4.482 1.00 0.00 O ATOM 258 OP2 A A 9 -7.354 4.449 3.478 1.00 0.00 O ATOM 259 O5' A A 9 -8.807 5.950 2.085 1.00 0.00 O ATOM 260 C5' A A 9 -9.175 4.779 1.343 1.00 0.00 C ATOM 261 C4' A A 9 -9.690 5.142 -0.052 1.00 0.00 C ATOM 262 O4' A A 9 -9.121 6.404 -0.446 1.00 0.00 O ATOM 263 C3' A A 9 -9.287 4.173 -1.166 1.00 0.00 C ATOM 264 O3' A A 9 -10.400 3.304 -1.418 1.00 0.00 O ATOM 265 C2' A A 9 -9.144 5.092 -2.372 1.00 0.00 C ATOM 266 O2' A A 9 -10.425 5.446 -2.901 1.00 0.00 O ATOM 267 C1' A A 9 -8.482 6.291 -1.725 1.00 0.00 C ATOM 268 N9 A A 9 -7.034 6.082 -1.526 1.00 0.00 N ATOM 269 C8 A A 9 -6.388 5.554 -0.440 1.00 0.00 C ATOM 270 N7 A A 9 -5.094 5.475 -0.587 1.00 0.00 N ATOM 271 C5 A A 9 -4.873 5.994 -1.856 1.00 0.00 C ATOM 272 C6 A A 9 -3.707 6.193 -2.611 1.00 0.00 C ATOM 273 N6 A A 9 -2.485 5.884 -2.179 1.00 0.00 N ATOM 274 N1 A A 9 -3.840 6.728 -3.832 1.00 0.00 N ATOM 275 C2 A A 9 -5.051 7.045 -4.267 1.00 0.00 C ATOM 276 N3 A A 9 -6.218 6.909 -3.661 1.00 0.00 N ATOM 277 C4 A A 9 -6.048 6.368 -2.437 1.00 0.00 C ATOM 0 H5' A A 9 -9.945 4.230 1.885 1.00 0.00 H new ATOM 0 H5'' A A 9 -8.314 4.117 1.254 1.00 0.00 H new ATOM 0 H4' A A 9 -10.776 5.135 0.046 1.00 0.00 H new ATOM 0 H3' A A 9 -8.400 3.581 -0.941 1.00 0.00 H new ATOM 0 H2' A A 9 -8.598 4.661 -3.211 1.00 0.00 H new ATOM 0 HO2' A A 9 -10.748 4.728 -3.484 1.00 0.00 H new ATOM 0 H1' A A 9 -8.584 7.179 -2.348 1.00 0.00 H new ATOM 0 H8 A A 9 -6.902 5.233 0.454 1.00 0.00 H new ATOM 0 H61 A A 9 -1.675 6.053 -2.776 1.00 0.00 H new ATOM 0 H62 A A 9 -2.359 5.479 -1.251 1.00 0.00 H new ATOM 0 H2 A A 9 -5.090 7.475 -5.257 1.00 0.00 H new ATOM 289 P G A 10 -10.312 2.162 -2.559 1.00 0.00 P ATOM 290 OP1 G A 10 -11.654 1.559 -2.713 1.00 0.00 O ATOM 291 OP2 G A 10 -9.144 1.300 -2.267 1.00 0.00 O ATOM 292 O5' G A 10 -9.989 3.023 -3.885 1.00 0.00 O ATOM 293 C5' G A 10 -10.237 2.503 -5.194 1.00 0.00 C ATOM 294 C4' G A 10 -8.955 2.062 -5.901 1.00 0.00 C ATOM 295 O4' G A 10 -7.925 3.033 -5.678 1.00 0.00 O ATOM 296 C3' G A 10 -8.339 0.769 -5.400 1.00 0.00 C ATOM 297 O3' G A 10 -8.920 -0.302 -6.152 1.00 0.00 O ATOM 298 C2' G A 10 -6.892 0.911 -5.846 1.00 0.00 C ATOM 299 O2' G A 10 -6.756 0.607 -7.239 1.00 0.00 O ATOM 300 C1' G A 10 -6.637 2.395 -5.595 1.00 0.00 C ATOM 301 N9 G A 10 -6.072 2.630 -4.255 1.00 0.00 N ATOM 302 C8 G A 10 -6.733 2.727 -3.061 1.00 0.00 C ATOM 303 N7 G A 10 -5.946 2.886 -2.036 1.00 0.00 N ATOM 304 C5 G A 10 -4.671 2.898 -2.590 1.00 0.00 C ATOM 305 C6 G A 10 -3.406 3.041 -1.960 1.00 0.00 C ATOM 306 O6 G A 10 -3.162 3.175 -0.764 1.00 0.00 O ATOM 307 N1 G A 10 -2.370 3.003 -2.879 1.00 0.00 N ATOM 308 C2 G A 10 -2.524 2.842 -4.237 1.00 0.00 C ATOM 309 N2 G A 10 -1.415 2.827 -4.974 1.00 0.00 N ATOM 310 N3 G A 10 -3.709 2.706 -4.839 1.00 0.00 N ATOM 311 C4 G A 10 -4.735 2.744 -3.953 1.00 0.00 C ATOM 0 H5' G A 10 -10.736 3.263 -5.795 1.00 0.00 H new ATOM 0 H5'' G A 10 -10.918 1.655 -5.122 1.00 0.00 H new ATOM 0 H4' G A 10 -9.268 1.938 -6.938 1.00 0.00 H new ATOM 0 H3' G A 10 -8.469 0.586 -4.333 1.00 0.00 H new ATOM 0 H2' G A 10 -6.202 0.244 -5.330 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.840 -0.360 -7.372 1.00 0.00 H new ATOM 0 H1' G A 10 -5.922 2.785 -6.320 1.00 0.00 H new ATOM 0 H8 G A 10 -7.808 2.676 -2.977 1.00 0.00 H new ATOM 0 H1 G A 10 -1.420 3.102 -2.522 1.00 0.00 H new ATOM 0 H21 G A 10 -1.476 2.710 -5.985 1.00 0.00 H new ATOM 0 H22 G A 10 -0.504 2.932 -4.527 1.00 0.00 H new ATOM 323 P G A 11 -8.566 -1.837 -5.803 1.00 0.00 P ATOM 324 OP1 G A 11 -9.534 -2.705 -6.510 1.00 0.00 O ATOM 325 OP2 G A 11 -8.405 -1.954 -4.336 1.00 0.00 O ATOM 326 O5' G A 11 -7.120 -2.029 -6.493 1.00 0.00 O ATOM 327 C5' G A 11 -5.954 -2.285 -5.702 1.00 0.00 C ATOM 328 C4' G A 11 -4.698 -1.718 -6.359 1.00 0.00 C ATOM 329 O4' G A 11 -4.339 -0.492 -5.713 1.00 0.00 O ATOM 330 C3' G A 11 -3.461 -2.590 -6.228 1.00 0.00 C ATOM 331 O3' G A 11 -3.390 -3.386 -7.416 1.00 0.00 O ATOM 332 C2' G A 11 -2.317 -1.589 -6.285 1.00 0.00 C ATOM 333 O2' G A 11 -2.000 -1.257 -7.641 1.00 0.00 O ATOM 334 C1' G A 11 -2.914 -0.379 -5.566 1.00 0.00 C ATOM 335 N9 G A 11 -2.586 -0.354 -4.125 1.00 0.00 N ATOM 336 C8 G A 11 -3.431 -0.175 -3.058 1.00 0.00 C ATOM 337 N7 G A 11 -2.827 -0.176 -1.904 1.00 0.00 N ATOM 338 C5 G A 11 -1.489 -0.370 -2.224 1.00 0.00 C ATOM 339 C6 G A 11 -0.353 -0.461 -1.375 1.00 0.00 C ATOM 340 O6 G A 11 -0.311 -0.381 -0.150 1.00 0.00 O ATOM 341 N1 G A 11 0.811 -0.660 -2.098 1.00 0.00 N ATOM 342 C2 G A 11 0.882 -0.762 -3.467 1.00 0.00 C ATOM 343 N2 G A 11 2.090 -0.968 -3.994 1.00 0.00 N ATOM 344 N3 G A 11 -0.177 -0.678 -4.275 1.00 0.00 N ATOM 345 C4 G A 11 -1.328 -0.482 -3.584 1.00 0.00 C ATOM 0 H5' G A 11 -5.838 -3.359 -5.560 1.00 0.00 H new ATOM 0 H5'' G A 11 -6.080 -1.844 -4.713 1.00 0.00 H new ATOM 0 H4' G A 11 -4.962 -1.621 -7.412 1.00 0.00 H new ATOM 0 H3' G A 11 -3.449 -3.220 -5.339 1.00 0.00 H new ATOM 0 H2' G A 11 -1.391 -1.956 -5.843 1.00 0.00 H new ATOM 0 HO2' G A 11 -2.317 -1.969 -8.235 1.00 0.00 H new ATOM 0 H1' G A 11 -2.507 0.536 -5.997 1.00 0.00 H new ATOM 0 H8 G A 11 -4.498 -0.045 -3.165 1.00 0.00 H new ATOM 0 H1 G A 11 1.683 -0.737 -1.574 1.00 0.00 H new ATOM 0 H21 G A 11 2.198 -1.051 -5.005 1.00 0.00 H new ATOM 0 H22 G A 11 2.906 -1.042 -3.386 1.00 0.00 H new ATOM 357 P G A 12 -3.097 -4.968 -7.336 1.00 0.00 P ATOM 358 OP1 G A 12 -3.813 -5.627 -8.451 1.00 0.00 O ATOM 359 OP2 G A 12 -3.328 -5.416 -5.944 1.00 0.00 O ATOM 360 O5' G A 12 -1.517 -5.045 -7.634 1.00 0.00 O ATOM 361 C5' G A 12 -0.903 -6.282 -8.019 1.00 0.00 C ATOM 362 C4' G A 12 0.547 -6.366 -7.551 1.00 0.00 C ATOM 363 O4' G A 12 0.939 -5.106 -6.996 1.00 0.00 O ATOM 364 C3' G A 12 0.793 -7.365 -6.433 1.00 0.00 C ATOM 365 O3' G A 12 1.213 -8.587 -7.051 1.00 0.00 O ATOM 366 C2' G A 12 1.995 -6.787 -5.704 1.00 0.00 C ATOM 367 O2' G A 12 3.212 -7.141 -6.368 1.00 0.00 O ATOM 368 C1' G A 12 1.741 -5.285 -5.818 1.00 0.00 C ATOM 369 N9 G A 12 1.002 -4.750 -4.656 1.00 0.00 N ATOM 370 C8 G A 12 -0.260 -4.212 -4.616 1.00 0.00 C ATOM 371 N7 G A 12 -0.627 -3.826 -3.427 1.00 0.00 N ATOM 372 C5 G A 12 0.466 -4.127 -2.622 1.00 0.00 C ATOM 373 C6 G A 12 0.651 -3.933 -1.227 1.00 0.00 C ATOM 374 O6 G A 12 -0.132 -3.445 -0.416 1.00 0.00 O ATOM 375 N1 G A 12 1.896 -4.375 -0.812 1.00 0.00 N ATOM 376 C2 G A 12 2.850 -4.936 -1.631 1.00 0.00 C ATOM 377 N2 G A 12 3.999 -5.301 -1.062 1.00 0.00 N ATOM 378 N3 G A 12 2.686 -5.124 -2.942 1.00 0.00 N ATOM 379 C4 G A 12 1.472 -4.696 -3.366 1.00 0.00 C ATOM 0 H5' G A 12 -0.941 -6.384 -9.104 1.00 0.00 H new ATOM 0 H5'' G A 12 -1.469 -7.114 -7.600 1.00 0.00 H new ATOM 0 H4' G A 12 1.105 -6.667 -8.437 1.00 0.00 H new ATOM 0 H3' G A 12 -0.070 -7.538 -5.790 1.00 0.00 H new ATOM 0 H2' G A 12 2.102 -7.145 -4.680 1.00 0.00 H new ATOM 0 HO2' G A 12 3.050 -7.902 -6.964 1.00 0.00 H new ATOM 0 H1' G A 12 2.693 -4.755 -5.862 1.00 0.00 H new ATOM 0 H8 G A 12 -0.890 -4.117 -5.488 1.00 0.00 H new ATOM 0 H1 G A 12 2.124 -4.277 0.177 1.00 0.00 H new ATOM 0 H21 G A 12 4.737 -5.721 -1.627 1.00 0.00 H new ATOM 0 H22 G A 12 4.140 -5.160 -0.062 1.00 0.00 H new ATOM 391 P U A 13 1.135 -9.983 -6.250 1.00 0.00 P ATOM 392 OP1 U A 13 1.025 -11.078 -7.240 1.00 0.00 O ATOM 393 OP2 U A 13 0.119 -9.849 -5.181 1.00 0.00 O ATOM 394 O5' U A 13 2.588 -10.071 -5.560 1.00 0.00 O ATOM 395 C5' U A 13 2.851 -11.040 -4.543 1.00 0.00 C ATOM 396 C4' U A 13 3.961 -10.580 -3.600 1.00 0.00 C ATOM 397 O4' U A 13 3.820 -9.176 -3.355 1.00 0.00 O ATOM 398 C3' U A 13 3.923 -11.215 -2.221 1.00 0.00 C ATOM 399 O3' U A 13 4.810 -12.338 -2.254 1.00 0.00 O ATOM 400 C2' U A 13 4.562 -10.160 -1.329 1.00 0.00 C ATOM 401 O2' U A 13 5.990 -10.251 -1.380 1.00 0.00 O ATOM 402 C1' U A 13 4.088 -8.859 -1.977 1.00 0.00 C ATOM 403 N1 U A 13 2.849 -8.333 -1.355 1.00 0.00 N ATOM 404 C2 U A 13 2.929 -7.895 -0.043 1.00 0.00 C ATOM 405 O2 U A 13 3.967 -7.942 0.612 1.00 0.00 O ATOM 406 N3 U A 13 1.760 -7.398 0.498 1.00 0.00 N ATOM 407 C4 U A 13 0.540 -7.301 -0.142 1.00 0.00 C ATOM 408 O4 U A 13 -0.431 -6.836 0.450 1.00 0.00 O ATOM 409 C5 U A 13 0.536 -7.778 -1.506 1.00 0.00 C ATOM 410 C6 U A 13 1.672 -8.270 -2.058 1.00 0.00 C ATOM 0 H5' U A 13 3.135 -11.985 -5.005 1.00 0.00 H new ATOM 0 H5'' U A 13 1.941 -11.225 -3.972 1.00 0.00 H new ATOM 0 H4' U A 13 4.886 -10.864 -4.102 1.00 0.00 H new ATOM 0 H3' U A 13 2.928 -11.520 -1.898 1.00 0.00 H new ATOM 0 H2' U A 13 4.293 -10.255 -0.277 1.00 0.00 H new ATOM 0 HO2' U A 13 6.251 -11.154 -1.659 1.00 0.00 H new ATOM 0 H1' U A 13 4.851 -8.091 -1.855 1.00 0.00 H new ATOM 0 H3 U A 13 1.801 -7.071 1.463 1.00 0.00 H new ATOM 0 H5 U A 13 -0.374 -7.742 -2.087 1.00 0.00 H new ATOM 0 H6 U A 13 1.650 -8.622 -3.079 1.00 0.00 H new ATOM 421 P C A 14 4.535 -13.629 -1.332 1.00 0.00 P ATOM 422 OP1 C A 14 5.650 -14.582 -1.525 1.00 0.00 O ATOM 423 OP2 C A 14 3.139 -14.071 -1.557 1.00 0.00 O ATOM 424 O5' C A 14 4.635 -13.024 0.158 1.00 0.00 O ATOM 425 C5' C A 14 5.908 -12.807 0.776 1.00 0.00 C ATOM 426 C4' C A 14 5.765 -12.540 2.272 1.00 0.00 C ATOM 427 O4' C A 14 5.258 -11.218 2.463 1.00 0.00 O ATOM 428 C3' C A 14 4.766 -13.440 2.984 1.00 0.00 C ATOM 429 O3' C A 14 5.397 -14.648 3.418 1.00 0.00 O ATOM 430 C2' C A 14 4.363 -12.584 4.179 1.00 0.00 C ATOM 431 O2' C A 14 5.327 -12.702 5.229 1.00 0.00 O ATOM 432 C1' C A 14 4.377 -11.172 3.595 1.00 0.00 C ATOM 433 N1 C A 14 3.035 -10.742 3.145 1.00 0.00 N ATOM 434 C2 C A 14 2.255 -10.019 4.040 1.00 0.00 C ATOM 435 O2 C A 14 2.686 -9.745 5.159 1.00 0.00 O ATOM 436 N3 C A 14 1.012 -9.625 3.650 1.00 0.00 N ATOM 437 C4 C A 14 0.550 -9.928 2.429 1.00 0.00 C ATOM 438 N4 C A 14 -0.674 -9.512 2.107 1.00 0.00 N ATOM 439 C5 C A 14 1.348 -10.672 1.504 1.00 0.00 C ATOM 440 C6 C A 14 2.574 -11.055 1.900 1.00 0.00 C ATOM 0 H5' C A 14 6.405 -11.962 0.300 1.00 0.00 H new ATOM 0 H5'' C A 14 6.543 -13.679 0.620 1.00 0.00 H new ATOM 0 H4' C A 14 6.760 -12.712 2.682 1.00 0.00 H new ATOM 0 H3' C A 14 3.927 -13.750 2.361 1.00 0.00 H new ATOM 0 H2' C A 14 3.405 -12.867 4.616 1.00 0.00 H new ATOM 0 HO2' C A 14 5.765 -13.577 5.174 1.00 0.00 H new ATOM 0 HO3' C A 14 4.740 -15.214 3.875 1.00 0.00 H new ATOM 0 H1' C A 14 4.700 -10.461 4.355 1.00 0.00 H new ATOM 0 H41 C A 14 -1.059 -9.724 1.187 1.00 0.00 H new ATOM 0 H42 C A 14 -1.226 -8.982 2.781 1.00 0.00 H new ATOM 0 H5 C A 14 0.978 -10.918 0.520 1.00 0.00 H new ATOM 0 H6 C A 14 3.202 -11.617 1.224 1.00 0.00 H new TER 453 C A 14