USER MOD reduce.3.24.130724 H: found=0, std=0, add=174, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 8 C O2' : rot 180:sc= -1.1 USER MOD Single : A 8 C O5' : rot 180:sc= -0.858 USER MOD Single : A 9 C O2' : rot -17:sc= 0.112 USER MOD Single : A 10 G O2' : rot -109:sc= 1.33 USER MOD Single : A 11 U O2' : rot 127:sc= -2.44! USER MOD Single : A 12 U O2' : rot 139:sc= -0.366! USER MOD Single : A 13 G O2' : rot 148:sc= -2.3! USER MOD Single : A 14 A O2' : rot -17:sc= 0.127 USER MOD Single : A 15 A O2' : rot -90:sc= -4.94! USER MOD Single : A 16 U O2' : rot 138:sc= 0.401 USER MOD Single : A 17 C O2' : rot 13:sc= 0.194 USER MOD Single : A 18 U O2' : rot 159:sc= 1.07 USER MOD Single : A 19 C O2' : rot -23:sc= 0.103 USER MOD Single : A 20 A O2' : rot -172:sc= 0.902 USER MOD Single : A 21 C O2' : rot -28:sc= 0.0992 USER MOD Single : A 22 G O2' : rot 180:sc= -0.0576 USER MOD Single : A 23 G O2' : rot -24:sc= 0.108 USER MOD Single : A 23 G O3' : rot 180:sc= 0.103 USER MOD ----------------------------------------------------------------- ATOM 1 O5' C A 8 3.073 -4.449 -12.381 1.00 0.00 O ATOM 2 C5' C A 8 3.318 -5.657 -13.098 1.00 0.00 C ATOM 3 C4' C A 8 4.044 -6.652 -12.220 1.00 0.00 C ATOM 4 O4' C A 8 5.396 -6.173 -11.994 1.00 0.00 O ATOM 5 C3' C A 8 3.467 -6.848 -10.824 1.00 0.00 C ATOM 6 O3' C A 8 2.434 -7.827 -10.821 1.00 0.00 O ATOM 7 C2' C A 8 4.682 -7.286 -10.016 1.00 0.00 C ATOM 8 O2' C A 8 4.969 -8.657 -10.214 1.00 0.00 O ATOM 9 C1' C A 8 5.792 -6.459 -10.665 1.00 0.00 C ATOM 10 N1 C A 8 6.064 -5.182 -9.975 1.00 0.00 N ATOM 11 C2 C A 8 7.000 -5.158 -8.926 1.00 0.00 C ATOM 12 O2 C A 8 7.574 -6.210 -8.599 1.00 0.00 O ATOM 13 N3 C A 8 7.252 -3.988 -8.296 1.00 0.00 N ATOM 14 C4 C A 8 6.616 -2.876 -8.671 1.00 0.00 C ATOM 15 N4 C A 8 6.900 -1.744 -8.023 1.00 0.00 N ATOM 16 C5 C A 8 5.663 -2.871 -9.732 1.00 0.00 C ATOM 17 C6 C A 8 5.420 -4.034 -10.350 1.00 0.00 C ATOM 0 H5' C A 8 3.912 -5.446 -13.987 1.00 0.00 H new ATOM 0 H5'' C A 8 2.374 -6.083 -13.439 1.00 0.00 H new ATOM 0 H4' C A 8 3.965 -7.595 -12.760 1.00 0.00 H new ATOM 0 H3' C A 8 2.992 -5.955 -10.419 1.00 0.00 H new ATOM 0 H2' C A 8 4.553 -7.148 -8.942 1.00 0.00 H new ATOM 0 HO2' C A 8 5.754 -8.907 -9.683 1.00 0.00 H new ATOM 0 HO5' C A 8 2.604 -3.813 -12.961 1.00 0.00 H new ATOM 0 H1' C A 8 6.709 -7.046 -10.613 1.00 0.00 H new ATOM 0 H41 C A 8 6.432 -0.876 -8.284 1.00 0.00 H new ATOM 0 H42 C A 8 7.585 -1.747 -7.267 1.00 0.00 H new ATOM 0 H5 C A 8 5.156 -1.964 -10.026 1.00 0.00 H new ATOM 0 H6 C A 8 4.704 -4.067 -11.158 1.00 0.00 H new ATOM 29 P C A 9 1.381 -7.872 -9.607 1.00 0.00 P ATOM 30 OP1 C A 9 0.333 -8.861 -9.971 1.00 0.00 O ATOM 31 OP2 C A 9 0.987 -6.481 -9.264 1.00 0.00 O ATOM 32 O5' C A 9 2.223 -8.465 -8.391 1.00 0.00 O ATOM 33 C5' C A 9 2.732 -9.797 -8.433 1.00 0.00 C ATOM 34 C4' C A 9 3.489 -10.112 -7.161 1.00 0.00 C ATOM 35 O4' C A 9 4.670 -9.268 -7.100 1.00 0.00 O ATOM 36 C3' C A 9 2.744 -9.830 -5.863 1.00 0.00 C ATOM 37 O3' C A 9 1.946 -10.938 -5.464 1.00 0.00 O ATOM 38 C2' C A 9 3.872 -9.561 -4.872 1.00 0.00 C ATOM 39 O2' C A 9 4.435 -10.767 -4.393 1.00 0.00 O ATOM 40 C1' C A 9 4.904 -8.864 -5.761 1.00 0.00 C ATOM 41 N1 C A 9 4.857 -7.389 -5.700 1.00 0.00 N ATOM 42 C2 C A 9 5.570 -6.724 -4.687 1.00 0.00 C ATOM 43 O2 C A 9 6.219 -7.391 -3.863 1.00 0.00 O ATOM 44 N3 C A 9 5.532 -5.374 -4.633 1.00 0.00 N ATOM 45 C4 C A 9 4.825 -4.687 -5.534 1.00 0.00 C ATOM 46 N4 C A 9 4.820 -3.355 -5.442 1.00 0.00 N ATOM 47 C5 C A 9 4.091 -5.335 -6.571 1.00 0.00 C ATOM 48 C6 C A 9 4.134 -6.673 -6.617 1.00 0.00 C ATOM 0 H5' C A 9 3.390 -9.915 -9.294 1.00 0.00 H new ATOM 0 H5'' C A 9 1.911 -10.503 -8.560 1.00 0.00 H new ATOM 0 H4' C A 9 3.683 -11.183 -7.220 1.00 0.00 H new ATOM 0 H3' C A 9 2.041 -9.001 -5.945 1.00 0.00 H new ATOM 0 H2' C A 9 3.545 -8.999 -3.997 1.00 0.00 H new ATOM 0 HO2' C A 9 3.822 -11.509 -4.576 1.00 0.00 H new ATOM 0 H1' C A 9 5.889 -9.156 -5.397 1.00 0.00 H new ATOM 0 H41 C A 9 4.290 -2.799 -6.114 1.00 0.00 H new ATOM 0 H42 C A 9 5.346 -2.893 -4.700 1.00 0.00 H new ATOM 0 H5 C A 9 3.522 -4.768 -7.292 1.00 0.00 H new ATOM 0 H6 C A 9 3.590 -7.196 -7.390 1.00 0.00 H new ATOM 60 P G A 10 0.341 -10.836 -5.528 1.00 0.00 P ATOM 61 OP1 G A 10 -0.097 -11.381 -6.838 1.00 0.00 O ATOM 62 OP2 G A 10 -0.052 -9.454 -5.142 1.00 0.00 O ATOM 63 O5' G A 10 -0.148 -11.842 -4.390 1.00 0.00 O ATOM 64 C5' G A 10 -0.348 -11.402 -3.047 1.00 0.00 C ATOM 65 C4' G A 10 0.963 -11.410 -2.293 1.00 0.00 C ATOM 66 O4' G A 10 1.804 -10.351 -2.827 1.00 0.00 O ATOM 67 C3' G A 10 0.853 -11.144 -0.792 1.00 0.00 C ATOM 68 O3' G A 10 1.776 -11.938 -0.053 1.00 0.00 O ATOM 69 C2' G A 10 1.147 -9.650 -0.669 1.00 0.00 C ATOM 70 O2' G A 10 1.798 -9.344 0.546 1.00 0.00 O ATOM 71 C1' G A 10 2.148 -9.444 -1.800 1.00 0.00 C ATOM 72 N9 G A 10 2.131 -8.089 -2.347 1.00 0.00 N ATOM 73 C8 G A 10 1.594 -7.690 -3.546 1.00 0.00 C ATOM 74 N7 G A 10 1.720 -6.412 -3.768 1.00 0.00 N ATOM 75 C5 G A 10 2.383 -5.932 -2.647 1.00 0.00 C ATOM 76 C6 G A 10 2.797 -4.617 -2.319 1.00 0.00 C ATOM 77 O6 G A 10 2.656 -3.579 -2.976 1.00 0.00 O ATOM 78 N1 G A 10 3.437 -4.574 -1.085 1.00 0.00 N ATOM 79 C2 G A 10 3.650 -5.657 -0.268 1.00 0.00 C ATOM 80 N2 G A 10 4.285 -5.412 0.889 1.00 0.00 N ATOM 81 N3 G A 10 3.270 -6.889 -0.562 1.00 0.00 N ATOM 82 C4 G A 10 2.646 -6.954 -1.759 1.00 0.00 C ATOM 0 H5' G A 10 -1.067 -12.051 -2.547 1.00 0.00 H new ATOM 0 H5'' G A 10 -0.771 -10.397 -3.045 1.00 0.00 H new ATOM 0 H4' G A 10 1.362 -12.416 -2.422 1.00 0.00 H new ATOM 0 H3' G A 10 -0.122 -11.407 -0.383 1.00 0.00 H new ATOM 0 H2' G A 10 0.245 -9.039 -0.706 1.00 0.00 H new ATOM 0 HO2' G A 10 1.180 -8.864 1.136 1.00 0.00 H new ATOM 0 H1' G A 10 3.150 -9.609 -1.405 1.00 0.00 H new ATOM 0 H8 G A 10 1.115 -8.368 -4.237 1.00 0.00 H new ATOM 0 H1 G A 10 3.774 -3.667 -0.762 1.00 0.00 H new ATOM 0 H21 G A 10 4.473 -6.175 1.539 1.00 0.00 H new ATOM 0 H22 G A 10 4.580 -4.463 1.118 1.00 0.00 H new ATOM 94 P U A 11 1.411 -12.409 1.443 1.00 0.00 P ATOM 95 OP1 U A 11 2.238 -13.602 1.755 1.00 0.00 O ATOM 96 OP2 U A 11 -0.069 -12.497 1.554 1.00 0.00 O ATOM 97 O5' U A 11 1.922 -11.208 2.359 1.00 0.00 O ATOM 98 C5' U A 11 1.260 -10.873 3.577 1.00 0.00 C ATOM 99 C4' U A 11 1.790 -9.561 4.113 1.00 0.00 C ATOM 100 O4' U A 11 1.743 -8.571 3.046 1.00 0.00 O ATOM 101 C3' U A 11 1.000 -8.956 5.274 1.00 0.00 C ATOM 102 O3' U A 11 1.874 -8.344 6.219 1.00 0.00 O ATOM 103 C2' U A 11 0.087 -7.947 4.586 1.00 0.00 C ATOM 104 O2' U A 11 -0.222 -6.855 5.429 1.00 0.00 O ATOM 105 C1' U A 11 0.997 -7.450 3.470 1.00 0.00 C ATOM 106 N1 U A 11 0.289 -6.883 2.310 1.00 0.00 N ATOM 107 C2 U A 11 0.346 -5.508 2.127 1.00 0.00 C ATOM 108 O2 U A 11 0.959 -4.758 2.872 1.00 0.00 O ATOM 109 N3 U A 11 -0.342 -5.040 1.034 1.00 0.00 N ATOM 110 C4 U A 11 -1.069 -5.785 0.129 1.00 0.00 C ATOM 111 O4 U A 11 -1.657 -5.216 -0.792 1.00 0.00 O ATOM 112 C5 U A 11 -1.074 -7.192 0.384 1.00 0.00 C ATOM 113 C6 U A 11 -0.413 -7.684 1.434 1.00 0.00 C ATOM 0 H5' U A 11 1.412 -11.663 4.312 1.00 0.00 H new ATOM 0 H5'' U A 11 0.186 -10.798 3.408 1.00 0.00 H new ATOM 0 H4' U A 11 2.791 -9.793 4.478 1.00 0.00 H new ATOM 0 H3' U A 11 0.439 -9.690 5.852 1.00 0.00 H new ATOM 0 H2' U A 11 -0.868 -8.374 4.278 1.00 0.00 H new ATOM 0 HO2' U A 11 -0.019 -6.016 4.965 1.00 0.00 H new ATOM 0 H1' U A 11 1.606 -6.636 3.864 1.00 0.00 H new ATOM 0 H3 U A 11 -0.312 -4.033 0.874 1.00 0.00 H new ATOM 0 H5 U A 11 -1.613 -7.857 -0.274 1.00 0.00 H new ATOM 0 H6 U A 11 -0.429 -8.750 1.604 1.00 0.00 H new ATOM 124 P U A 12 1.352 -8.016 7.706 1.00 0.00 P ATOM 125 OP1 U A 12 2.305 -8.636 8.663 1.00 0.00 O ATOM 126 OP2 U A 12 -0.094 -8.362 7.788 1.00 0.00 O ATOM 127 O5' U A 12 1.511 -6.433 7.821 1.00 0.00 O ATOM 128 C5' U A 12 0.393 -5.597 8.117 1.00 0.00 C ATOM 129 C4' U A 12 0.546 -4.258 7.427 1.00 0.00 C ATOM 130 O4' U A 12 -0.274 -4.251 6.222 1.00 0.00 O ATOM 131 C3' U A 12 0.078 -3.053 8.237 1.00 0.00 C ATOM 132 O3' U A 12 0.845 -1.890 7.937 1.00 0.00 O ATOM 133 C2' U A 12 -1.377 -2.901 7.810 1.00 0.00 C ATOM 134 O2' U A 12 -1.809 -1.559 7.929 1.00 0.00 O ATOM 135 C1' U A 12 -1.285 -3.264 6.328 1.00 0.00 C ATOM 136 N1 U A 12 -2.525 -3.801 5.739 1.00 0.00 N ATOM 137 C2 U A 12 -3.629 -2.957 5.625 1.00 0.00 C ATOM 138 O2 U A 12 -3.620 -1.792 5.990 1.00 0.00 O ATOM 139 N3 U A 12 -4.743 -3.534 5.069 1.00 0.00 N ATOM 140 C4 U A 12 -4.873 -4.831 4.622 1.00 0.00 C ATOM 141 O4 U A 12 -5.948 -5.203 4.148 1.00 0.00 O ATOM 142 C5 U A 12 -3.699 -5.633 4.770 1.00 0.00 C ATOM 143 C6 U A 12 -2.591 -5.109 5.305 1.00 0.00 C ATOM 0 H5' U A 12 0.313 -5.452 9.194 1.00 0.00 H new ATOM 0 H5'' U A 12 -0.528 -6.080 7.791 1.00 0.00 H new ATOM 0 H4' U A 12 1.617 -4.159 7.250 1.00 0.00 H new ATOM 0 H3' U A 12 0.194 -3.186 9.313 1.00 0.00 H new ATOM 0 H2' U A 12 -2.071 -3.499 8.402 1.00 0.00 H new ATOM 0 HO2' U A 12 -2.361 -1.323 7.154 1.00 0.00 H new ATOM 0 H1' U A 12 -1.076 -2.347 5.777 1.00 0.00 H new ATOM 0 H3 U A 12 -5.565 -2.937 4.976 1.00 0.00 H new ATOM 0 H5 U A 12 -3.707 -6.664 4.449 1.00 0.00 H new ATOM 0 H6 U A 12 -1.715 -5.733 5.401 1.00 0.00 H new ATOM 154 P G A 13 2.340 -1.744 8.512 1.00 0.00 P ATOM 155 OP1 G A 13 3.263 -2.454 7.591 1.00 0.00 O ATOM 156 OP2 G A 13 2.314 -2.111 9.952 1.00 0.00 O ATOM 157 O5' G A 13 2.637 -0.183 8.407 1.00 0.00 O ATOM 158 C5' G A 13 1.866 0.756 9.153 1.00 0.00 C ATOM 159 C4' G A 13 1.351 1.849 8.247 1.00 0.00 C ATOM 160 O4' G A 13 1.022 1.278 6.957 1.00 0.00 O ATOM 161 C3' G A 13 0.067 2.530 8.736 1.00 0.00 C ATOM 162 O3' G A 13 0.251 3.915 9.077 1.00 0.00 O ATOM 163 C2' G A 13 -0.940 2.355 7.590 1.00 0.00 C ATOM 164 O2' G A 13 -1.607 3.567 7.322 1.00 0.00 O ATOM 165 C1' G A 13 -0.039 2.010 6.409 1.00 0.00 C ATOM 166 N9 G A 13 -0.685 1.209 5.371 1.00 0.00 N ATOM 167 C8 G A 13 -1.210 -0.051 5.504 1.00 0.00 C ATOM 168 N7 G A 13 -1.731 -0.513 4.400 1.00 0.00 N ATOM 169 C5 G A 13 -1.541 0.509 3.480 1.00 0.00 C ATOM 170 C6 G A 13 -1.902 0.592 2.107 1.00 0.00 C ATOM 171 O6 G A 13 -2.480 -0.249 1.407 1.00 0.00 O ATOM 172 N1 G A 13 -1.521 1.810 1.551 1.00 0.00 N ATOM 173 C2 G A 13 -0.878 2.819 2.226 1.00 0.00 C ATOM 174 N2 G A 13 -0.602 3.923 1.518 1.00 0.00 N ATOM 175 N3 G A 13 -0.534 2.752 3.500 1.00 0.00 N ATOM 176 C4 G A 13 -0.894 1.580 4.062 1.00 0.00 C ATOM 0 H5' G A 13 2.476 1.189 9.946 1.00 0.00 H new ATOM 0 H5'' G A 13 1.030 0.249 9.634 1.00 0.00 H new ATOM 0 H4' G A 13 2.148 2.592 8.216 1.00 0.00 H new ATOM 0 H3' G A 13 -0.280 2.076 9.664 1.00 0.00 H new ATOM 0 H2' G A 13 -1.708 1.612 7.807 1.00 0.00 H new ATOM 0 HO2' G A 13 -1.816 3.621 6.366 1.00 0.00 H new ATOM 0 H1' G A 13 0.262 2.932 5.912 1.00 0.00 H new ATOM 0 H8 G A 13 -1.194 -0.606 6.430 1.00 0.00 H new ATOM 0 H1 G A 13 -1.736 1.965 0.566 1.00 0.00 H new ATOM 0 H21 G A 13 -0.126 4.708 1.962 1.00 0.00 H new ATOM 0 H22 G A 13 -0.868 3.978 0.535 1.00 0.00 H new ATOM 188 P A A 14 1.226 4.861 8.203 1.00 0.00 P ATOM 189 OP1 A A 14 1.274 4.409 6.791 1.00 0.00 O ATOM 190 OP2 A A 14 2.492 4.993 8.971 1.00 0.00 O ATOM 191 O5' A A 14 0.502 6.282 8.223 1.00 0.00 O ATOM 192 C5' A A 14 -0.833 6.439 7.740 1.00 0.00 C ATOM 193 C4' A A 14 -0.845 6.438 6.227 1.00 0.00 C ATOM 194 O4' A A 14 -1.314 5.148 5.765 1.00 0.00 O ATOM 195 C3' A A 14 -1.793 7.427 5.568 1.00 0.00 C ATOM 196 O3' A A 14 -1.200 8.717 5.464 1.00 0.00 O ATOM 197 C2' A A 14 -2.048 6.795 4.200 1.00 0.00 C ATOM 198 O2' A A 14 -1.013 7.110 3.288 1.00 0.00 O ATOM 199 C1' A A 14 -1.970 5.299 4.521 1.00 0.00 C ATOM 200 N9 A A 14 -3.275 4.632 4.592 1.00 0.00 N ATOM 201 C8 A A 14 -3.852 4.018 5.679 1.00 0.00 C ATOM 202 N7 A A 14 -5.031 3.503 5.432 1.00 0.00 N ATOM 203 C5 A A 14 -5.246 3.791 4.091 1.00 0.00 C ATOM 204 C6 A A 14 -6.317 3.509 3.226 1.00 0.00 C ATOM 205 N6 A A 14 -7.416 2.848 3.598 1.00 0.00 N ATOM 206 N1 A A 14 -6.221 3.933 1.947 1.00 0.00 N ATOM 207 C2 A A 14 -5.121 4.597 1.573 1.00 0.00 C ATOM 208 N3 A A 14 -4.049 4.925 2.294 1.00 0.00 N ATOM 209 C4 A A 14 -4.175 4.487 3.560 1.00 0.00 C ATOM 0 H5' A A 14 -1.255 7.372 8.114 1.00 0.00 H new ATOM 0 H5'' A A 14 -1.461 5.632 8.116 1.00 0.00 H new ATOM 0 H4' A A 14 0.178 6.699 5.957 1.00 0.00 H new ATOM 0 H3' A A 14 -2.712 7.593 6.130 1.00 0.00 H new ATOM 0 H2' A A 14 -2.981 7.130 3.748 1.00 0.00 H new ATOM 0 HO2' A A 14 -0.498 7.872 3.628 1.00 0.00 H new ATOM 0 H1' A A 14 -1.427 4.826 3.703 1.00 0.00 H new ATOM 0 H8 A A 14 -3.377 3.965 6.647 1.00 0.00 H new ATOM 0 H61 A A 14 -8.160 2.674 2.922 1.00 0.00 H new ATOM 0 H62 A A 14 -7.511 2.517 4.558 1.00 0.00 H new ATOM 0 H2 A A 14 -5.099 4.912 0.540 1.00 0.00 H new ATOM 221 P A A 15 -1.646 9.883 6.478 1.00 0.00 P ATOM 222 OP1 A A 15 -0.902 11.118 6.115 1.00 0.00 O ATOM 223 OP2 A A 15 -1.540 9.345 7.858 1.00 0.00 O ATOM 224 O5' A A 15 -3.192 10.098 6.156 1.00 0.00 O ATOM 225 C5' A A 15 -3.612 10.958 5.099 1.00 0.00 C ATOM 226 C4' A A 15 -3.641 10.202 3.789 1.00 0.00 C ATOM 227 O4' A A 15 -4.235 8.893 4.018 1.00 0.00 O ATOM 228 C3' A A 15 -4.476 10.854 2.690 1.00 0.00 C ATOM 229 O3' A A 15 -3.859 10.709 1.415 1.00 0.00 O ATOM 230 C2' A A 15 -5.809 10.116 2.769 1.00 0.00 C ATOM 231 O2' A A 15 -6.425 10.008 1.506 1.00 0.00 O ATOM 232 C1' A A 15 -5.355 8.720 3.174 1.00 0.00 C ATOM 233 N9 A A 15 -6.370 7.950 3.896 1.00 0.00 N ATOM 234 C8 A A 15 -6.202 7.316 5.097 1.00 0.00 C ATOM 235 N7 A A 15 -7.273 6.693 5.524 1.00 0.00 N ATOM 236 C5 A A 15 -8.215 6.935 4.534 1.00 0.00 C ATOM 237 C6 A A 15 -9.558 6.547 4.391 1.00 0.00 C ATOM 238 N6 A A 15 -10.213 5.801 5.285 1.00 0.00 N ATOM 239 N1 A A 15 -10.216 6.957 3.286 1.00 0.00 N ATOM 240 C2 A A 15 -9.561 7.705 2.390 1.00 0.00 C ATOM 241 N3 A A 15 -8.299 8.132 2.411 1.00 0.00 N ATOM 242 C4 A A 15 -7.673 7.708 3.523 1.00 0.00 C ATOM 0 H5' A A 15 -2.934 11.808 5.021 1.00 0.00 H new ATOM 0 H5'' A A 15 -4.602 11.358 5.318 1.00 0.00 H new ATOM 0 H4' A A 15 -2.605 10.171 3.453 1.00 0.00 H new ATOM 0 H3' A A 15 -4.589 11.930 2.821 1.00 0.00 H new ATOM 0 H2' A A 15 -6.521 10.610 3.430 1.00 0.00 H new ATOM 0 HO2' A A 15 -7.002 10.785 1.356 1.00 0.00 H new ATOM 0 H1' A A 15 -5.137 8.156 2.267 1.00 0.00 H new ATOM 0 H8 A A 15 -5.271 7.328 5.644 1.00 0.00 H new ATOM 0 H61 A A 15 -11.189 5.552 5.124 1.00 0.00 H new ATOM 0 H62 A A 15 -9.737 5.481 6.128 1.00 0.00 H new ATOM 0 H2 A A 15 -10.137 8.005 1.527 1.00 0.00 H new ATOM 254 P U A 16 -4.073 11.841 0.290 1.00 0.00 P ATOM 255 OP1 U A 16 -2.786 12.569 0.153 1.00 0.00 O ATOM 256 OP2 U A 16 -5.314 12.600 0.589 1.00 0.00 O ATOM 257 O5' U A 16 -4.310 11.015 -1.052 1.00 0.00 O ATOM 258 C5' U A 16 -5.268 9.957 -1.106 1.00 0.00 C ATOM 259 C4' U A 16 -6.465 10.360 -1.945 1.00 0.00 C ATOM 260 O4' U A 16 -7.636 10.446 -1.084 1.00 0.00 O ATOM 261 C3' U A 16 -6.365 11.709 -2.657 1.00 0.00 C ATOM 262 O3' U A 16 -6.887 11.628 -3.979 1.00 0.00 O ATOM 263 C2' U A 16 -7.174 12.648 -1.765 1.00 0.00 C ATOM 264 O2' U A 16 -7.794 13.672 -2.520 1.00 0.00 O ATOM 265 C1' U A 16 -8.256 11.706 -1.247 1.00 0.00 C ATOM 266 N1 U A 16 -8.866 12.110 0.033 1.00 0.00 N ATOM 267 C2 U A 16 -9.933 13.002 -0.011 1.00 0.00 C ATOM 268 O2 U A 16 -10.382 13.458 -1.053 1.00 0.00 O ATOM 269 N3 U A 16 -10.456 13.341 1.212 1.00 0.00 N ATOM 270 C4 U A 16 -10.039 12.895 2.447 1.00 0.00 C ATOM 271 O4 U A 16 -10.615 13.292 3.462 1.00 0.00 O ATOM 272 C5 U A 16 -8.941 11.982 2.410 1.00 0.00 C ATOM 273 C6 U A 16 -8.403 11.626 1.240 1.00 0.00 C ATOM 0 H5' U A 16 -5.594 9.703 -0.097 1.00 0.00 H new ATOM 0 H5'' U A 16 -4.807 9.063 -1.527 1.00 0.00 H new ATOM 0 H4' U A 16 -6.522 9.592 -2.716 1.00 0.00 H new ATOM 0 H3' U A 16 -5.339 12.055 -2.786 1.00 0.00 H new ATOM 0 H2' U A 16 -6.571 13.145 -1.005 1.00 0.00 H new ATOM 0 HO2' U A 16 -8.709 13.808 -2.197 1.00 0.00 H new ATOM 0 H1' U A 16 -9.076 11.706 -1.966 1.00 0.00 H new ATOM 0 H3 U A 16 -11.239 13.995 1.206 1.00 0.00 H new ATOM 0 H5 U A 16 -8.545 11.578 3.330 1.00 0.00 H new ATOM 0 H6 U A 16 -7.574 10.933 1.239 1.00 0.00 H new ATOM 284 P C A 17 -5.940 11.131 -5.178 1.00 0.00 P ATOM 285 OP1 C A 17 -4.764 12.034 -5.248 1.00 0.00 O ATOM 286 OP2 C A 17 -6.799 10.952 -6.376 1.00 0.00 O ATOM 287 O5' C A 17 -5.439 9.694 -4.705 1.00 0.00 O ATOM 288 C5' C A 17 -4.654 8.871 -5.566 1.00 0.00 C ATOM 289 C4' C A 17 -5.448 7.657 -5.997 1.00 0.00 C ATOM 290 O4' C A 17 -5.606 6.774 -4.851 1.00 0.00 O ATOM 291 C3' C A 17 -6.862 7.941 -6.507 1.00 0.00 C ATOM 292 O3' C A 17 -7.191 7.116 -7.622 1.00 0.00 O ATOM 293 C2' C A 17 -7.743 7.645 -5.296 1.00 0.00 C ATOM 294 O2' C A 17 -9.018 7.173 -5.684 1.00 0.00 O ATOM 295 C1' C A 17 -6.976 6.498 -4.650 1.00 0.00 C ATOM 296 N1 C A 17 -7.221 6.338 -3.204 1.00 0.00 N ATOM 297 C2 C A 17 -8.025 5.270 -2.768 1.00 0.00 C ATOM 298 O2 C A 17 -8.504 4.489 -3.606 1.00 0.00 O ATOM 299 N3 C A 17 -8.256 5.118 -1.445 1.00 0.00 N ATOM 300 C4 C A 17 -7.726 5.976 -0.571 1.00 0.00 C ATOM 301 N4 C A 17 -7.986 5.786 0.724 1.00 0.00 N ATOM 302 C5 C A 17 -6.904 7.065 -0.983 1.00 0.00 C ATOM 303 C6 C A 17 -6.683 7.209 -2.297 1.00 0.00 C ATOM 0 H5' C A 17 -3.746 8.557 -5.052 1.00 0.00 H new ATOM 0 H5'' C A 17 -4.343 9.441 -6.442 1.00 0.00 H new ATOM 0 H4' C A 17 -4.880 7.231 -6.824 1.00 0.00 H new ATOM 0 H3' C A 17 -6.986 8.960 -6.873 1.00 0.00 H new ATOM 0 H2' C A 17 -7.918 8.518 -4.667 1.00 0.00 H new ATOM 0 HO2' C A 17 -9.003 6.934 -6.634 1.00 0.00 H new ATOM 0 H1' C A 17 -7.309 5.567 -5.109 1.00 0.00 H new ATOM 0 H41 C A 17 -7.598 6.422 1.421 1.00 0.00 H new ATOM 0 H42 C A 17 -8.573 5.005 1.017 1.00 0.00 H new ATOM 0 H5 C A 17 -6.476 7.748 -0.264 1.00 0.00 H new ATOM 0 H6 C A 17 -6.070 8.027 -2.646 1.00 0.00 H new ATOM 315 P U A 18 -6.600 7.461 -9.080 1.00 0.00 P ATOM 316 OP1 U A 18 -6.451 8.936 -9.189 1.00 0.00 O ATOM 317 OP2 U A 18 -7.412 6.732 -10.087 1.00 0.00 O ATOM 318 O5' U A 18 -5.142 6.818 -9.061 1.00 0.00 O ATOM 319 C5' U A 18 -4.968 5.413 -8.903 1.00 0.00 C ATOM 320 C4' U A 18 -3.527 5.099 -8.563 1.00 0.00 C ATOM 321 O4' U A 18 -3.449 4.741 -7.156 1.00 0.00 O ATOM 322 C3' U A 18 -2.922 3.923 -9.323 1.00 0.00 C ATOM 323 O3' U A 18 -1.531 4.099 -9.656 1.00 0.00 O ATOM 324 C2' U A 18 -3.175 2.734 -8.399 1.00 0.00 C ATOM 325 O2' U A 18 -2.143 1.773 -8.516 1.00 0.00 O ATOM 326 C1' U A 18 -3.090 3.378 -7.014 1.00 0.00 C ATOM 327 N1 U A 18 -3.966 2.778 -5.988 1.00 0.00 N ATOM 328 C2 U A 18 -3.870 1.406 -5.737 1.00 0.00 C ATOM 329 O2 U A 18 -3.095 0.668 -6.324 1.00 0.00 O ATOM 330 N3 U A 18 -4.717 0.936 -4.764 1.00 0.00 N ATOM 331 C4 U A 18 -5.626 1.665 -4.028 1.00 0.00 C ATOM 332 O4 U A 18 -6.320 1.094 -3.187 1.00 0.00 O ATOM 333 C5 U A 18 -5.663 3.060 -4.340 1.00 0.00 C ATOM 334 C6 U A 18 -4.858 3.559 -5.285 1.00 0.00 C ATOM 0 H5' U A 18 -5.253 4.899 -9.821 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.624 5.045 -8.114 1.00 0.00 H new ATOM 0 H4' U A 18 -2.971 5.996 -8.834 1.00 0.00 H new ATOM 0 H3' U A 18 -3.376 3.794 -10.306 1.00 0.00 H new ATOM 0 H2' U A 18 -4.112 2.221 -8.614 1.00 0.00 H new ATOM 0 HO2' U A 18 -2.126 1.212 -7.713 1.00 0.00 H new ATOM 0 H1' U A 18 -2.070 3.226 -6.663 1.00 0.00 H new ATOM 0 H3 U A 18 -4.668 -0.063 -4.564 1.00 0.00 H new ATOM 0 H5 U A 18 -6.342 3.712 -3.812 1.00 0.00 H new ATOM 0 H6 U A 18 -4.909 4.615 -5.506 1.00 0.00 H new ATOM 345 P C A 19 -0.466 4.638 -8.562 1.00 0.00 P ATOM 346 OP1 C A 19 -1.060 5.768 -7.804 1.00 0.00 O ATOM 347 OP2 C A 19 0.820 4.839 -9.276 1.00 0.00 O ATOM 348 O5' C A 19 -0.272 3.419 -7.552 1.00 0.00 O ATOM 349 C5' C A 19 0.866 3.345 -6.691 1.00 0.00 C ATOM 350 C4' C A 19 0.730 4.333 -5.554 1.00 0.00 C ATOM 351 O4' C A 19 -0.645 4.329 -5.083 1.00 0.00 O ATOM 352 C3' C A 19 1.557 4.023 -4.313 1.00 0.00 C ATOM 353 O3' C A 19 2.881 4.535 -4.414 1.00 0.00 O ATOM 354 C2' C A 19 0.767 4.709 -3.205 1.00 0.00 C ATOM 355 O2' C A 19 1.018 6.103 -3.179 1.00 0.00 O ATOM 356 C1' C A 19 -0.672 4.482 -3.673 1.00 0.00 C ATOM 357 N1 C A 19 -1.308 3.288 -3.079 1.00 0.00 N ATOM 358 C2 C A 19 -1.830 3.367 -1.774 1.00 0.00 C ATOM 359 O2 C A 19 -1.757 4.443 -1.155 1.00 0.00 O ATOM 360 N3 C A 19 -2.400 2.272 -1.224 1.00 0.00 N ATOM 361 C4 C A 19 -2.465 1.132 -1.919 1.00 0.00 C ATOM 362 N4 C A 19 -3.026 0.074 -1.328 1.00 0.00 N ATOM 363 C5 C A 19 -1.955 1.026 -3.247 1.00 0.00 C ATOM 364 C6 C A 19 -1.388 2.116 -3.780 1.00 0.00 C ATOM 0 H5' C A 19 1.773 3.555 -7.258 1.00 0.00 H new ATOM 0 H5'' C A 19 0.965 2.335 -6.294 1.00 0.00 H new ATOM 0 H4' C A 19 1.074 5.276 -5.979 1.00 0.00 H new ATOM 0 H3' C A 19 1.695 2.955 -4.146 1.00 0.00 H new ATOM 0 H2' C A 19 1.007 4.331 -2.211 1.00 0.00 H new ATOM 0 HO2' C A 19 1.882 6.288 -3.603 1.00 0.00 H new ATOM 0 H1' C A 19 -1.263 5.340 -3.353 1.00 0.00 H new ATOM 0 H41 C A 19 -3.093 -0.813 -1.827 1.00 0.00 H new ATOM 0 H42 C A 19 -3.387 0.153 -0.377 1.00 0.00 H new ATOM 0 H5 C A 19 -2.024 0.102 -3.802 1.00 0.00 H new ATOM 0 H6 C A 19 -0.987 2.069 -4.782 1.00 0.00 H new ATOM 376 P A A 20 4.138 3.546 -4.231 1.00 0.00 P ATOM 377 OP1 A A 20 5.375 4.370 -4.199 1.00 0.00 O ATOM 378 OP2 A A 20 3.999 2.476 -5.250 1.00 0.00 O ATOM 379 O5' A A 20 3.913 2.884 -2.796 1.00 0.00 O ATOM 380 C5' A A 20 4.529 3.420 -1.624 1.00 0.00 C ATOM 381 C4' A A 20 3.472 3.903 -0.653 1.00 0.00 C ATOM 382 O4' A A 20 2.204 3.285 -1.004 1.00 0.00 O ATOM 383 C3' A A 20 3.711 3.560 0.817 1.00 0.00 C ATOM 384 O3' A A 20 3.300 4.614 1.682 1.00 0.00 O ATOM 385 C2' A A 20 2.902 2.289 1.034 1.00 0.00 C ATOM 386 O2' A A 20 2.375 2.241 2.346 1.00 0.00 O ATOM 387 C1' A A 20 1.744 2.478 0.061 1.00 0.00 C ATOM 388 N9 A A 20 1.264 1.212 -0.500 1.00 0.00 N ATOM 389 C8 A A 20 0.720 0.992 -1.740 1.00 0.00 C ATOM 390 N7 A A 20 0.400 -0.261 -1.963 1.00 0.00 N ATOM 391 C5 A A 20 0.756 -0.909 -0.789 1.00 0.00 C ATOM 392 C6 A A 20 0.679 -2.253 -0.385 1.00 0.00 C ATOM 393 N6 A A 20 0.193 -3.229 -1.156 1.00 0.00 N ATOM 394 N1 A A 20 1.126 -2.564 0.852 1.00 0.00 N ATOM 395 C2 A A 20 1.620 -1.579 1.620 1.00 0.00 C ATOM 396 N3 A A 20 1.735 -0.291 1.355 1.00 0.00 N ATOM 397 C4 A A 20 1.283 -0.015 0.122 1.00 0.00 C ATOM 0 H5' A A 20 5.188 4.245 -1.895 1.00 0.00 H new ATOM 0 H5'' A A 20 5.149 2.659 -1.150 1.00 0.00 H new ATOM 0 H4' A A 20 3.492 4.989 -0.742 1.00 0.00 H new ATOM 0 H3' A A 20 4.767 3.420 1.046 1.00 0.00 H new ATOM 0 H2' A A 20 3.490 1.383 0.890 1.00 0.00 H new ATOM 0 HO2' A A 20 1.975 1.361 2.506 1.00 0.00 H new ATOM 0 H1' A A 20 0.916 2.933 0.605 1.00 0.00 H new ATOM 0 H8 A A 20 0.569 1.777 -2.466 1.00 0.00 H new ATOM 0 H61 A A 20 0.163 -4.187 -0.807 1.00 0.00 H new ATOM 0 H62 A A 20 -0.148 -3.016 -2.094 1.00 0.00 H new ATOM 0 H2 A A 20 1.974 -1.885 2.594 1.00 0.00 H new ATOM 409 P C A 21 4.295 5.135 2.835 1.00 0.00 P ATOM 410 OP1 C A 21 3.446 5.702 3.914 1.00 0.00 O ATOM 411 OP2 C A 21 5.333 5.988 2.198 1.00 0.00 O ATOM 412 O5' C A 21 4.982 3.811 3.401 1.00 0.00 O ATOM 413 C5' C A 21 6.263 3.385 2.938 1.00 0.00 C ATOM 414 C4' C A 21 6.525 1.959 3.361 1.00 0.00 C ATOM 415 O4' C A 21 5.398 1.128 2.975 1.00 0.00 O ATOM 416 C3' C A 21 7.719 1.294 2.696 1.00 0.00 C ATOM 417 O3' C A 21 8.935 1.618 3.363 1.00 0.00 O ATOM 418 C2' C A 21 7.377 -0.189 2.793 1.00 0.00 C ATOM 419 O2' C A 21 7.672 -0.704 4.078 1.00 0.00 O ATOM 420 C1' C A 21 5.859 -0.164 2.615 1.00 0.00 C ATOM 421 N1 C A 21 5.422 -0.450 1.234 1.00 0.00 N ATOM 422 C2 C A 21 4.968 -1.742 0.915 1.00 0.00 C ATOM 423 O2 C A 21 4.947 -2.617 1.800 1.00 0.00 O ATOM 424 N3 C A 21 4.566 -2.005 -0.349 1.00 0.00 N ATOM 425 C4 C A 21 4.599 -1.043 -1.273 1.00 0.00 C ATOM 426 N4 C A 21 4.193 -1.348 -2.508 1.00 0.00 N ATOM 427 C5 C A 21 5.052 0.275 -0.977 1.00 0.00 C ATOM 428 C6 C A 21 5.454 0.524 0.275 1.00 0.00 C ATOM 0 H5' C A 21 7.038 4.039 3.338 1.00 0.00 H new ATOM 0 H5'' C A 21 6.309 3.464 1.852 1.00 0.00 H new ATOM 0 H4' C A 21 6.704 2.030 4.434 1.00 0.00 H new ATOM 0 H3' C A 21 7.884 1.620 1.669 1.00 0.00 H new ATOM 0 H2' C A 21 7.927 -0.802 2.079 1.00 0.00 H new ATOM 0 HO2' C A 21 8.406 -0.191 4.475 1.00 0.00 H new ATOM 0 H1' C A 21 5.443 -0.948 3.247 1.00 0.00 H new ATOM 0 H41 C A 21 4.205 -0.637 -3.239 1.00 0.00 H new ATOM 0 H42 C A 21 3.871 -2.292 -2.720 1.00 0.00 H new ATOM 0 H5 C A 21 5.070 1.044 -1.735 1.00 0.00 H new ATOM 0 H6 C A 21 5.810 1.511 0.532 1.00 0.00 H new ATOM 440 P G A 22 10.263 1.914 2.505 1.00 0.00 P ATOM 441 OP1 G A 22 11.243 2.590 3.396 1.00 0.00 O ATOM 442 OP2 G A 22 9.858 2.571 1.234 1.00 0.00 O ATOM 443 O5' G A 22 10.820 0.463 2.150 1.00 0.00 O ATOM 444 C5' G A 22 11.499 -0.322 3.128 1.00 0.00 C ATOM 445 C4' G A 22 11.557 -1.767 2.692 1.00 0.00 C ATOM 446 O4' G A 22 10.207 -2.252 2.457 1.00 0.00 O ATOM 447 C3' G A 22 12.278 -2.032 1.380 1.00 0.00 C ATOM 448 O3' G A 22 13.687 -2.121 1.563 1.00 0.00 O ATOM 449 C2' G A 22 11.663 -3.352 0.933 1.00 0.00 C ATOM 450 O2' G A 22 12.207 -4.448 1.646 1.00 0.00 O ATOM 451 C1' G A 22 10.212 -3.162 1.368 1.00 0.00 C ATOM 452 N9 G A 22 9.350 -2.630 0.314 1.00 0.00 N ATOM 453 C8 G A 22 8.927 -1.332 0.161 1.00 0.00 C ATOM 454 N7 G A 22 8.163 -1.158 -0.883 1.00 0.00 N ATOM 455 C5 G A 22 8.074 -2.419 -1.456 1.00 0.00 C ATOM 456 C6 G A 22 7.378 -2.855 -2.615 1.00 0.00 C ATOM 457 O6 G A 22 6.680 -2.192 -3.391 1.00 0.00 O ATOM 458 N1 G A 22 7.557 -4.218 -2.836 1.00 0.00 N ATOM 459 C2 G A 22 8.307 -5.053 -2.047 1.00 0.00 C ATOM 460 N2 G A 22 8.359 -6.339 -2.427 1.00 0.00 N ATOM 461 N3 G A 22 8.961 -4.661 -0.965 1.00 0.00 N ATOM 462 C4 G A 22 8.801 -3.341 -0.730 1.00 0.00 C ATOM 0 H5' G A 22 10.986 -0.245 4.087 1.00 0.00 H new ATOM 0 H5'' G A 22 12.509 0.061 3.275 1.00 0.00 H new ATOM 0 H4' G A 22 12.098 -2.260 3.500 1.00 0.00 H new ATOM 0 H3' G A 22 12.160 -1.236 0.644 1.00 0.00 H new ATOM 0 H2' G A 22 11.822 -3.564 -0.124 1.00 0.00 H new ATOM 0 HO2' G A 22 11.790 -5.279 1.336 1.00 0.00 H new ATOM 0 H1' G A 22 9.815 -4.142 1.633 1.00 0.00 H new ATOM 0 H8 G A 22 9.199 -0.535 0.837 1.00 0.00 H new ATOM 0 H1 G A 22 7.095 -4.628 -3.648 1.00 0.00 H new ATOM 0 H21 G A 22 8.900 -7.010 -1.882 1.00 0.00 H new ATOM 0 H22 G A 22 7.857 -6.645 -3.261 1.00 0.00 H new ATOM 474 P G A 23 14.673 -1.778 0.339 1.00 0.00 P ATOM 475 OP1 G A 23 16.070 -1.825 0.843 1.00 0.00 O ATOM 476 OP2 G A 23 14.172 -0.543 -0.317 1.00 0.00 O ATOM 477 O5' G A 23 14.462 -2.991 -0.670 1.00 0.00 O ATOM 478 C5' G A 23 14.914 -4.304 -0.345 1.00 0.00 C ATOM 479 C4' G A 23 14.571 -5.267 -1.458 1.00 0.00 C ATOM 480 O4' G A 23 13.132 -5.284 -1.640 1.00 0.00 O ATOM 481 C3' G A 23 15.114 -4.906 -2.834 1.00 0.00 C ATOM 482 O3' G A 23 16.463 -5.340 -3.014 1.00 0.00 O ATOM 483 C2' G A 23 14.145 -5.615 -3.775 1.00 0.00 C ATOM 484 O2' G A 23 14.474 -6.985 -3.919 1.00 0.00 O ATOM 485 C1' G A 23 12.827 -5.512 -3.004 1.00 0.00 C ATOM 486 N9 G A 23 11.961 -4.433 -3.475 1.00 0.00 N ATOM 487 C8 G A 23 11.735 -3.221 -2.867 1.00 0.00 C ATOM 488 N7 G A 23 10.909 -2.458 -3.529 1.00 0.00 N ATOM 489 C5 G A 23 10.566 -3.211 -4.644 1.00 0.00 C ATOM 490 C6 G A 23 9.701 -2.907 -5.727 1.00 0.00 C ATOM 491 O6 G A 23 9.041 -1.878 -5.922 1.00 0.00 O ATOM 492 N1 G A 23 9.639 -3.953 -6.642 1.00 0.00 N ATOM 493 C2 G A 23 10.322 -5.140 -6.531 1.00 0.00 C ATOM 494 N2 G A 23 10.128 -6.027 -7.519 1.00 0.00 N ATOM 495 N3 G A 23 11.132 -5.436 -5.528 1.00 0.00 N ATOM 496 C4 G A 23 11.207 -4.433 -4.627 1.00 0.00 C ATOM 0 H5' G A 23 14.453 -4.635 0.586 1.00 0.00 H new ATOM 0 H5'' G A 23 15.992 -4.295 -0.182 1.00 0.00 H new ATOM 0 H4' G A 23 15.017 -6.209 -1.138 1.00 0.00 H new ATOM 0 H3' G A 23 15.165 -3.831 -3.006 1.00 0.00 H new ATOM 0 H2' G A 23 14.139 -5.187 -4.777 1.00 0.00 H new ATOM 0 HO2' G A 23 15.425 -7.116 -3.720 1.00 0.00 H new ATOM 0 HO3' G A 23 16.770 -5.089 -3.910 1.00 0.00 H new ATOM 0 H1' G A 23 12.284 -6.445 -3.158 1.00 0.00 H new ATOM 0 H8 G A 23 12.195 -2.929 -1.934 1.00 0.00 H new ATOM 0 H1 G A 23 9.040 -3.829 -7.458 1.00 0.00 H new ATOM 0 H21 G A 23 10.606 -6.928 -7.497 1.00 0.00 H new ATOM 0 H22 G A 23 9.503 -5.800 -8.292 1.00 0.00 H new TER 508 G A 23