USER MOD reduce.3.24.130724 H: found=0, std=0, add=254, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 256 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 Set 1.1: A 100 TOA O6 : rot -123:sc= 1.23 USER MOD Set 1.2: A 101 2TB O5 : rot -168:sc= 0.472 USER MOD Set 1.3: A 102 TOC N2 :NH3+ 155:sc= 2.48 (180deg=0.322!) USER MOD Set 2.1: A 100 TOA O2 : rot 152:sc= 2.18 USER MOD Set 2.2: A 101 2TB N1 :NH3+ 142:sc= -0.336 (180deg=-0.907) USER MOD Single : A 4 A O2' : rot -125:sc= 0.554 USER MOD Single : A 4 A O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -34:sc= 0.254 USER MOD Single : A 6 U O2' : rot -29:sc= 0.336 USER MOD Single : A 7 U O2' : rot -122:sc= 0.626 USER MOD Single : A 8 G O2' : rot -19:sc= 0.332 USER MOD Single : A 9 G O2' : rot -30:sc= 0.211 USER MOD Single : A 10 U O2' : rot -22:sc= 0.243 USER MOD Single : A 11 U O2' : rot -29:sc= 0.425 USER MOD Single : A 12 U O2' : rot -106:sc= 1.73 USER MOD Single : A 13 A O2' : rot -83:sc= 1.18 USER MOD Single : A 14 G O2' : rot -25:sc= 0.357 USER MOD Single : A 15 G O2' : rot -47:sc= 0.723 USER MOD Single : A 16 U O2' : rot -30:sc= 0.338 USER MOD Single : A 17 A O2' : rot -27:sc= 0.368 USER MOD Single : A 18 A O2' : rot -22:sc= 0.252 USER MOD Single : A 19 U O2' : rot -25:sc= 0.388 USER MOD Single : A 20 G O2' : rot -35:sc= 0.211 USER MOD Single : A 21 A O2' : rot -21:sc= 0.309 USER MOD Single : A 22 G O2' : rot -22:sc= 0.304 USER MOD Single : A 23 U O2' : rot 141:sc= 0.777 USER MOD Single : A 23 U O3' : rot 140:sc= 0.1 USER MOD Single : A 100 TOA N3 :NH3+ -123:sc= 1.95 (180deg=-1.81!) USER MOD Single : A 100 TOA O4 : rot 132:sc= 0.594 USER MOD Single : A 101 2TB N3 :NH3+ -138:sc= 1.21 (180deg=1.13) USER MOD Single : A 102 TOC N6 :NH3+ 159:sc= 0.849 (180deg=0.452) USER MOD Single : A 102 TOC O4 : rot 29:sc= 1.77 USER MOD ----------------------------------------------------------------- ATOM 1 O5' A A 4 4.952 6.248 -10.427 1.00 1.19 O ATOM 2 C5' A A 4 3.675 5.674 -10.132 1.00 1.11 C ATOM 3 C4' A A 4 3.171 6.104 -8.758 1.00 0.99 C ATOM 4 O4' A A 4 2.997 7.529 -8.740 1.00 0.98 O ATOM 5 C3' A A 4 1.800 5.567 -8.380 1.00 0.94 C ATOM 6 O3' A A 4 2.002 4.313 -7.712 1.00 1.02 O ATOM 7 C2' A A 4 1.345 6.579 -7.342 1.00 0.87 C ATOM 8 O2' A A 4 1.986 6.341 -6.086 1.00 0.91 O ATOM 9 C1' A A 4 1.833 7.885 -7.970 1.00 0.85 C ATOM 10 N9 A A 4 0.834 8.490 -8.876 1.00 0.78 N ATOM 11 C8 A A 4 0.615 8.234 -10.206 1.00 0.82 C ATOM 12 N7 A A 4 -0.344 8.950 -10.727 1.00 0.75 N ATOM 13 C5 A A 4 -0.788 9.733 -9.666 1.00 0.65 C ATOM 14 C6 A A 4 -1.793 10.710 -9.557 1.00 0.57 C ATOM 15 N6 A A 4 -2.570 11.088 -10.569 1.00 0.59 N ATOM 16 N1 A A 4 -1.972 11.291 -8.362 1.00 0.53 N ATOM 17 C2 A A 4 -1.203 10.922 -7.344 1.00 0.57 C ATOM 18 N3 A A 4 -0.232 10.023 -7.316 1.00 0.64 N ATOM 19 C4 A A 4 -0.078 9.460 -8.532 1.00 0.67 C ATOM 0 H5' A A 4 3.746 4.587 -10.170 1.00 1.11 H new ATOM 0 H5'' A A 4 2.956 5.973 -10.894 1.00 1.11 H new ATOM 0 H4' A A 4 3.920 5.718 -8.067 1.00 0.99 H new ATOM 0 H3' A A 4 1.111 5.432 -9.214 1.00 0.94 H new ATOM 0 H2' A A 4 0.277 6.557 -7.126 1.00 0.87 H new ATOM 0 HO2' A A 4 1.307 6.234 -5.387 1.00 0.91 H new ATOM 0 HO5' A A 4 5.247 5.952 -11.313 1.00 1.19 H new ATOM 0 H1' A A 4 2.031 8.619 -7.189 1.00 0.85 H new ATOM 0 H8 A A 4 1.183 7.508 -10.769 1.00 0.82 H new ATOM 0 H61 A A 4 -3.283 11.804 -10.425 1.00 0.59 H new ATOM 0 H62 A A 4 -2.453 10.662 -11.488 1.00 0.59 H new ATOM 0 H2 A A 4 -1.397 11.426 -6.409 1.00 0.57 H new ATOM 32 P C A 5 0.761 3.340 -7.372 1.00 0.93 P ATOM 33 OP1 C A 5 1.254 1.944 -7.377 1.00 1.08 O ATOM 34 OP2 C A 5 -0.380 3.724 -8.234 1.00 0.88 O ATOM 35 O5' C A 5 0.399 3.743 -5.851 1.00 0.86 O ATOM 36 C5' C A 5 -0.968 3.852 -5.428 1.00 0.73 C ATOM 37 C4' C A 5 -1.176 5.040 -4.492 1.00 0.67 C ATOM 38 O4' C A 5 -0.669 6.233 -5.116 1.00 0.64 O ATOM 39 C3' C A 5 -2.634 5.374 -4.195 1.00 0.61 C ATOM 40 O3' C A 5 -3.015 4.666 -3.006 1.00 0.70 O ATOM 41 C2' C A 5 -2.543 6.849 -3.850 1.00 0.58 C ATOM 42 O2' C A 5 -1.959 7.035 -2.557 1.00 0.67 O ATOM 43 C1' C A 5 -1.599 7.319 -4.949 1.00 0.56 C ATOM 44 N1 C A 5 -2.291 7.557 -6.239 1.00 0.51 N ATOM 45 C2 C A 5 -3.057 8.708 -6.369 1.00 0.48 C ATOM 46 O2 C A 5 -3.193 9.481 -5.424 1.00 0.52 O ATOM 47 N3 C A 5 -3.672 8.952 -7.557 1.00 0.45 N ATOM 48 C4 C A 5 -3.545 8.097 -8.578 1.00 0.48 C ATOM 49 N4 C A 5 -4.162 8.396 -9.714 1.00 0.50 N ATOM 50 C5 C A 5 -2.765 6.909 -8.452 1.00 0.55 C ATOM 51 C6 C A 5 -2.160 6.678 -7.277 1.00 0.56 C ATOM 0 H5' C A 5 -1.267 2.934 -4.923 1.00 0.73 H new ATOM 0 H5'' C A 5 -1.612 3.959 -6.301 1.00 0.73 H new ATOM 0 H4' C A 5 -0.671 4.748 -3.571 1.00 0.67 H new ATOM 0 H3' C A 5 -3.332 5.132 -4.996 1.00 0.61 H new ATOM 0 H2' C A 5 -3.497 7.375 -3.805 1.00 0.58 H new ATOM 0 HO2' C A 5 -2.220 6.294 -1.971 1.00 0.67 H new ATOM 0 H1' C A 5 -1.137 8.266 -4.672 1.00 0.56 H new ATOM 0 H41 C A 5 -4.088 7.768 -10.515 1.00 0.50 H new ATOM 0 H42 C A 5 -4.710 9.253 -9.786 1.00 0.50 H new ATOM 0 H5 C A 5 -2.665 6.218 -9.276 1.00 0.55 H new ATOM 0 H6 C A 5 -1.563 5.787 -7.150 1.00 0.56 H new ATOM 63 P U A 6 -4.480 4.004 -2.878 1.00 0.55 P ATOM 64 OP1 U A 6 -4.440 2.987 -1.807 1.00 0.65 O ATOM 65 OP2 U A 6 -4.936 3.621 -4.239 1.00 0.46 O ATOM 66 O5' U A 6 -5.387 5.239 -2.381 1.00 0.64 O ATOM 67 C5' U A 6 -5.543 5.524 -0.983 1.00 0.57 C ATOM 68 C4' U A 6 -6.631 6.568 -0.741 1.00 0.55 C ATOM 69 O4' U A 6 -6.238 7.813 -1.344 1.00 0.45 O ATOM 70 C3' U A 6 -7.976 6.243 -1.377 1.00 0.72 C ATOM 71 O3' U A 6 -8.782 5.616 -0.370 1.00 0.92 O ATOM 72 C2' U A 6 -8.562 7.618 -1.637 1.00 0.71 C ATOM 73 O2' U A 6 -9.066 8.190 -0.427 1.00 0.85 O ATOM 74 C1' U A 6 -7.320 8.365 -2.114 1.00 0.52 C ATOM 75 N1 U A 6 -7.036 8.153 -3.550 1.00 0.44 N ATOM 76 C2 U A 6 -7.898 8.723 -4.468 1.00 0.46 C ATOM 77 O2 U A 6 -8.887 9.366 -4.139 1.00 0.58 O ATOM 78 N3 U A 6 -7.585 8.522 -5.792 1.00 0.41 N ATOM 79 C4 U A 6 -6.509 7.818 -6.278 1.00 0.38 C ATOM 80 O4 U A 6 -6.341 7.722 -7.487 1.00 0.39 O ATOM 81 C5 U A 6 -5.655 7.250 -5.267 1.00 0.39 C ATOM 82 C6 U A 6 -5.944 7.433 -3.955 1.00 0.41 C ATOM 0 H5' U A 6 -4.597 5.882 -0.576 1.00 0.57 H new ATOM 0 H5'' U A 6 -5.793 4.607 -0.450 1.00 0.57 H new ATOM 0 H4' U A 6 -6.743 6.602 0.343 1.00 0.55 H new ATOM 0 H3' U A 6 -7.915 5.607 -2.260 1.00 0.72 H new ATOM 0 H2' U A 6 -9.400 7.635 -2.334 1.00 0.71 H new ATOM 0 HO2' U A 6 -9.355 7.475 0.177 1.00 0.85 H new ATOM 0 H1' U A 6 -7.458 9.438 -1.984 1.00 0.52 H new ATOM 0 H3 U A 6 -8.213 8.936 -6.481 1.00 0.41 H new ATOM 0 H5 U A 6 -4.785 6.678 -5.554 1.00 0.39 H new ATOM 0 H6 U A 6 -5.295 6.999 -3.209 1.00 0.41 H new ATOM 93 P U A 7 -8.949 4.014 -0.325 1.00 0.93 P ATOM 94 OP1 U A 7 -8.965 3.589 1.093 1.00 1.27 O ATOM 95 OP2 U A 7 -7.969 3.416 -1.265 1.00 0.95 O ATOM 96 O5' U A 7 -10.428 3.800 -0.933 1.00 0.73 O ATOM 97 C5' U A 7 -10.618 3.120 -2.180 1.00 0.59 C ATOM 98 C4' U A 7 -11.641 3.830 -3.064 1.00 0.46 C ATOM 99 O4' U A 7 -11.183 5.162 -3.365 1.00 0.46 O ATOM 100 C3' U A 7 -11.831 3.204 -4.435 1.00 0.39 C ATOM 101 O3' U A 7 -12.869 2.225 -4.341 1.00 0.40 O ATOM 102 C2' U A 7 -12.358 4.378 -5.237 1.00 0.37 C ATOM 103 O2' U A 7 -13.706 4.694 -4.875 1.00 0.41 O ATOM 104 C1' U A 7 -11.388 5.452 -4.763 1.00 0.38 C ATOM 105 N1 U A 7 -10.094 5.362 -5.465 1.00 0.37 N ATOM 106 C2 U A 7 -10.067 5.679 -6.812 1.00 0.41 C ATOM 107 O2 U A 7 -11.056 6.065 -7.428 1.00 0.48 O ATOM 108 N3 U A 7 -8.856 5.524 -7.441 1.00 0.48 N ATOM 109 C4 U A 7 -7.686 5.089 -6.855 1.00 0.52 C ATOM 110 O4 U A 7 -6.669 4.966 -7.530 1.00 0.65 O ATOM 111 C5 U A 7 -7.794 4.785 -5.449 1.00 0.50 C ATOM 112 C6 U A 7 -8.975 4.932 -4.811 1.00 0.43 C ATOM 0 H5' U A 7 -10.948 2.099 -1.990 1.00 0.59 H new ATOM 0 H5'' U A 7 -9.666 3.054 -2.707 1.00 0.59 H new ATOM 0 H4' U A 7 -12.567 3.779 -2.492 1.00 0.46 H new ATOM 0 H3' U A 7 -10.939 2.732 -4.848 1.00 0.39 H new ATOM 0 H2' U A 7 -12.400 4.228 -6.316 1.00 0.37 H new ATOM 0 HO2' U A 7 -14.278 4.646 -5.669 1.00 0.41 H new ATOM 0 H1' U A 7 -11.783 6.450 -4.951 1.00 0.38 H new ATOM 0 H3 U A 7 -8.819 5.752 -8.434 1.00 0.48 H new ATOM 0 H5 U A 7 -6.928 4.439 -4.905 1.00 0.50 H new ATOM 0 H6 U A 7 -9.036 4.704 -3.757 1.00 0.43 H new ATOM 123 P G A 8 -12.952 1.045 -5.427 1.00 0.53 P ATOM 124 OP1 G A 8 -13.507 -0.166 -4.790 1.00 0.83 O ATOM 125 OP2 G A 8 -11.651 0.978 -6.134 1.00 0.62 O ATOM 126 O5' G A 8 -14.030 1.602 -6.483 1.00 0.59 O ATOM 127 C5' G A 8 -15.263 2.168 -6.024 1.00 0.60 C ATOM 128 C4' G A 8 -15.853 3.140 -7.038 1.00 0.56 C ATOM 129 O4' G A 8 -14.872 4.115 -7.401 1.00 0.67 O ATOM 130 C3' G A 8 -16.230 2.535 -8.373 1.00 0.45 C ATOM 131 O3' G A 8 -17.548 1.990 -8.239 1.00 0.47 O ATOM 132 C2' G A 8 -16.328 3.774 -9.247 1.00 0.50 C ATOM 133 O2' G A 8 -17.553 4.470 -8.998 1.00 0.60 O ATOM 134 C1' G A 8 -15.131 4.589 -8.739 1.00 0.55 C ATOM 135 N9 G A 8 -13.925 4.391 -9.563 1.00 0.45 N ATOM 136 C8 G A 8 -12.675 3.992 -9.173 1.00 0.47 C ATOM 137 N7 G A 8 -11.820 3.915 -10.153 1.00 0.42 N ATOM 138 C5 G A 8 -12.561 4.294 -11.270 1.00 0.34 C ATOM 139 C6 G A 8 -12.170 4.404 -12.631 1.00 0.33 C ATOM 140 O6 G A 8 -11.077 4.171 -13.128 1.00 0.36 O ATOM 141 N1 G A 8 -13.217 4.815 -13.432 1.00 0.38 N ATOM 142 C2 G A 8 -14.485 5.088 -12.989 1.00 0.44 C ATOM 143 N2 G A 8 -15.372 5.471 -13.895 1.00 0.57 N ATOM 144 N3 G A 8 -14.867 4.987 -11.718 1.00 0.45 N ATOM 145 C4 G A 8 -13.851 4.586 -10.917 1.00 0.39 C ATOM 0 H5' G A 8 -15.096 2.686 -5.079 1.00 0.60 H new ATOM 0 H5'' G A 8 -15.978 1.369 -5.827 1.00 0.60 H new ATOM 0 H4' G A 8 -16.739 3.523 -6.532 1.00 0.56 H new ATOM 0 H3' G A 8 -15.552 1.765 -8.742 1.00 0.45 H new ATOM 0 H2' G A 8 -16.316 3.574 -10.318 1.00 0.50 H new ATOM 0 HO2' G A 8 -18.188 3.868 -8.557 1.00 0.60 H new ATOM 0 H1' G A 8 -15.364 5.653 -8.779 1.00 0.55 H new ATOM 0 H8 G A 8 -12.421 3.762 -8.149 1.00 0.47 H new ATOM 0 H1 G A 8 -13.033 4.924 -14.429 1.00 0.38 H new ATOM 0 H21 G A 8 -16.329 5.685 -13.613 1.00 0.57 H new ATOM 0 H22 G A 8 -15.098 5.552 -14.874 1.00 0.57 H new ATOM 157 P G A 9 -17.793 0.400 -8.321 1.00 0.45 P ATOM 158 OP1 G A 9 -19.117 0.101 -7.732 1.00 0.59 O ATOM 159 OP2 G A 9 -16.580 -0.286 -7.806 1.00 0.49 O ATOM 160 O5' G A 9 -17.873 0.137 -9.909 1.00 0.47 O ATOM 161 C5' G A 9 -16.862 -0.628 -10.576 1.00 0.43 C ATOM 162 C4' G A 9 -16.951 -0.486 -12.093 1.00 0.39 C ATOM 163 O4' G A 9 -16.671 0.879 -12.464 1.00 0.38 O ATOM 164 C3' G A 9 -15.919 -1.300 -12.865 1.00 0.38 C ATOM 165 O3' G A 9 -16.532 -2.542 -13.230 1.00 0.44 O ATOM 166 C2' G A 9 -15.744 -0.473 -14.124 1.00 0.39 C ATOM 167 O2' G A 9 -16.885 -0.590 -14.978 1.00 0.46 O ATOM 168 C1' G A 9 -15.671 0.911 -13.496 1.00 0.36 C ATOM 169 N9 G A 9 -14.365 1.177 -12.863 1.00 0.32 N ATOM 170 C8 G A 9 -14.099 1.426 -11.543 1.00 0.28 C ATOM 171 N7 G A 9 -12.830 1.547 -11.280 1.00 0.26 N ATOM 172 C5 G A 9 -12.212 1.374 -12.512 1.00 0.27 C ATOM 173 C6 G A 9 -10.832 1.402 -12.852 1.00 0.28 C ATOM 174 O6 G A 9 -9.866 1.562 -12.113 1.00 0.29 O ATOM 175 N1 G A 9 -10.638 1.186 -14.201 1.00 0.31 N ATOM 176 C2 G A 9 -11.636 0.970 -15.116 1.00 0.35 C ATOM 177 N2 G A 9 -11.266 0.777 -16.373 1.00 0.41 N ATOM 178 N3 G A 9 -12.932 0.939 -14.813 1.00 0.36 N ATOM 179 C4 G A 9 -13.145 1.150 -13.493 1.00 0.31 C ATOM 0 H5' G A 9 -16.962 -1.679 -10.303 1.00 0.43 H new ATOM 0 H5'' G A 9 -15.878 -0.303 -10.238 1.00 0.43 H new ATOM 0 H4' G A 9 -17.955 -0.831 -12.342 1.00 0.39 H new ATOM 0 H3' G A 9 -14.994 -1.498 -12.324 1.00 0.38 H new ATOM 0 H2' G A 9 -14.899 -0.749 -14.755 1.00 0.39 H new ATOM 0 HO2' G A 9 -17.297 -1.471 -14.855 1.00 0.46 H new ATOM 0 H1' G A 9 -15.816 1.684 -14.251 1.00 0.36 H new ATOM 0 H8 G A 9 -14.869 1.514 -10.791 1.00 0.28 H new ATOM 0 H1 G A 9 -9.677 1.187 -14.544 1.00 0.31 H new ATOM 0 H21 G A 9 -11.970 0.612 -17.092 1.00 0.41 H new ATOM 0 H22 G A 9 -10.277 0.793 -16.622 1.00 0.41 H new ATOM 191 P U A 10 -15.787 -3.936 -12.933 1.00 0.43 P ATOM 192 OP1 U A 10 -16.759 -5.036 -13.104 1.00 0.54 O ATOM 193 OP2 U A 10 -15.046 -3.796 -11.650 1.00 0.42 O ATOM 194 O5' U A 10 -14.708 -4.015 -14.124 1.00 0.46 O ATOM 195 C5' U A 10 -15.135 -4.136 -15.487 1.00 0.44 C ATOM 196 C4' U A 10 -14.021 -3.776 -16.466 1.00 0.40 C ATOM 197 O4' U A 10 -13.568 -2.439 -16.207 1.00 0.41 O ATOM 198 C3' U A 10 -12.759 -4.609 -16.340 1.00 0.39 C ATOM 199 O3' U A 10 -12.914 -5.761 -17.178 1.00 0.50 O ATOM 200 C2' U A 10 -11.731 -3.698 -16.986 1.00 0.36 C ATOM 201 O2' U A 10 -11.889 -3.680 -18.407 1.00 0.44 O ATOM 202 C1' U A 10 -12.138 -2.356 -16.376 1.00 0.36 C ATOM 203 N1 U A 10 -11.516 -2.107 -15.068 1.00 0.32 N ATOM 204 C2 U A 10 -10.133 -2.075 -15.004 1.00 0.29 C ATOM 205 O2 U A 10 -9.419 -2.236 -15.986 1.00 0.34 O ATOM 206 N3 U A 10 -9.593 -1.829 -13.765 1.00 0.26 N ATOM 207 C4 U A 10 -10.300 -1.613 -12.603 1.00 0.26 C ATOM 208 O4 U A 10 -9.701 -1.406 -11.553 1.00 0.28 O ATOM 209 C5 U A 10 -11.738 -1.660 -12.756 1.00 0.31 C ATOM 210 C6 U A 10 -12.285 -1.902 -13.962 1.00 0.34 C ATOM 0 H5' U A 10 -15.993 -3.486 -15.658 1.00 0.44 H new ATOM 0 H5'' U A 10 -15.467 -5.157 -15.674 1.00 0.44 H new ATOM 0 H4' U A 10 -14.473 -3.935 -17.445 1.00 0.40 H new ATOM 0 H3' U A 10 -12.516 -4.929 -15.327 1.00 0.39 H new ATOM 0 H2' U A 10 -10.692 -3.984 -16.819 1.00 0.36 H new ATOM 0 HO2' U A 10 -12.359 -4.491 -18.694 1.00 0.44 H new ATOM 0 H1' U A 10 -11.816 -1.541 -17.024 1.00 0.36 H new ATOM 0 H3 U A 10 -8.575 -1.804 -13.700 1.00 0.26 H new ATOM 0 H5 U A 10 -12.375 -1.500 -11.899 1.00 0.31 H new ATOM 0 H6 U A 10 -13.360 -1.934 -14.055 1.00 0.34 H new ATOM 221 P U A 11 -12.627 -7.239 -16.604 1.00 0.61 P ATOM 222 OP1 U A 11 -13.055 -8.225 -17.621 1.00 0.81 O ATOM 223 OP2 U A 11 -13.166 -7.314 -15.226 1.00 0.72 O ATOM 224 O5' U A 11 -11.018 -7.270 -16.511 1.00 0.52 O ATOM 225 C5' U A 11 -10.212 -7.198 -17.694 1.00 0.52 C ATOM 226 C4' U A 11 -8.795 -6.727 -17.379 1.00 0.41 C ATOM 227 O4' U A 11 -8.857 -5.449 -16.739 1.00 0.36 O ATOM 228 C3' U A 11 -8.039 -7.593 -16.387 1.00 0.40 C ATOM 229 O3' U A 11 -7.324 -8.579 -17.145 1.00 0.51 O ATOM 230 C2' U A 11 -7.007 -6.627 -15.828 1.00 0.35 C ATOM 231 O2' U A 11 -5.898 -6.504 -16.722 1.00 0.46 O ATOM 232 C1' U A 11 -7.800 -5.318 -15.770 1.00 0.31 C ATOM 233 N1 U A 11 -8.396 -5.061 -14.441 1.00 0.27 N ATOM 234 C2 U A 11 -7.530 -4.796 -13.398 1.00 0.27 C ATOM 235 O2 U A 11 -6.311 -4.802 -13.529 1.00 0.31 O ATOM 236 N3 U A 11 -8.111 -4.537 -12.180 1.00 0.27 N ATOM 237 C4 U A 11 -9.461 -4.522 -11.908 1.00 0.28 C ATOM 238 O4 U A 11 -9.851 -4.285 -10.766 1.00 0.32 O ATOM 239 C5 U A 11 -10.308 -4.808 -13.041 1.00 0.29 C ATOM 240 C6 U A 11 -9.756 -5.065 -14.255 1.00 0.28 C ATOM 0 H5' U A 11 -10.673 -6.516 -18.408 1.00 0.52 H new ATOM 0 H5'' U A 11 -10.173 -8.178 -18.169 1.00 0.52 H new ATOM 0 H4' U A 11 -8.285 -6.742 -18.342 1.00 0.41 H new ATOM 0 H3' U A 11 -8.666 -8.072 -15.635 1.00 0.40 H new ATOM 0 H2' U A 11 -6.585 -6.933 -14.871 1.00 0.35 H new ATOM 0 HO2' U A 11 -5.789 -7.338 -17.225 1.00 0.46 H new ATOM 0 H1' U A 11 -7.130 -4.483 -15.973 1.00 0.31 H new ATOM 0 H3 U A 11 -7.482 -4.337 -11.403 1.00 0.27 H new ATOM 0 H5 U A 11 -11.382 -4.818 -12.923 1.00 0.29 H new ATOM 0 H6 U A 11 -10.402 -5.278 -15.094 1.00 0.28 H new ATOM 251 P U A 12 -7.898 -10.074 -17.325 1.00 0.55 P ATOM 252 OP1 U A 12 -7.838 -10.422 -18.762 1.00 0.79 O ATOM 253 OP2 U A 12 -9.182 -10.173 -16.595 1.00 0.63 O ATOM 254 O5' U A 12 -6.801 -10.961 -16.544 1.00 0.59 O ATOM 255 C5' U A 12 -6.943 -11.244 -15.147 1.00 0.47 C ATOM 256 C4' U A 12 -5.627 -11.064 -14.393 1.00 0.40 C ATOM 257 O4' U A 12 -5.244 -9.675 -14.403 1.00 0.43 O ATOM 258 C3' U A 12 -5.692 -11.389 -12.912 1.00 0.34 C ATOM 259 O3' U A 12 -5.427 -12.790 -12.748 1.00 0.41 O ATOM 260 C2' U A 12 -4.501 -10.621 -12.386 1.00 0.37 C ATOM 261 O2' U A 12 -3.265 -11.222 -12.783 1.00 0.46 O ATOM 262 C1' U A 12 -4.724 -9.303 -13.106 1.00 0.38 C ATOM 263 N1 U A 12 -5.719 -8.483 -12.397 1.00 0.33 N ATOM 264 C2 U A 12 -5.332 -7.902 -11.205 1.00 0.35 C ATOM 265 O2 U A 12 -4.186 -7.955 -10.780 1.00 0.42 O ATOM 266 N3 U A 12 -6.315 -7.242 -10.510 1.00 0.34 N ATOM 267 C4 U A 12 -7.627 -7.112 -10.894 1.00 0.32 C ATOM 268 O4 U A 12 -8.408 -6.491 -10.183 1.00 0.37 O ATOM 269 C5 U A 12 -7.953 -7.739 -12.150 1.00 0.31 C ATOM 270 C6 U A 12 -7.002 -8.388 -12.852 1.00 0.31 C ATOM 0 H5' U A 12 -7.298 -12.266 -15.018 1.00 0.47 H new ATOM 0 H5'' U A 12 -7.700 -10.587 -14.719 1.00 0.47 H new ATOM 0 H4' U A 12 -4.942 -11.742 -14.903 1.00 0.40 H new ATOM 0 H3' U A 12 -6.641 -11.152 -12.432 1.00 0.34 H new ATOM 0 H2' U A 12 -4.431 -10.562 -11.300 1.00 0.37 H new ATOM 0 HO2' U A 12 -2.862 -11.679 -12.015 1.00 0.46 H new ATOM 0 H1' U A 12 -3.807 -8.717 -13.167 1.00 0.38 H new ATOM 0 H3 U A 12 -6.046 -6.808 -9.627 1.00 0.34 H new ATOM 0 H5 U A 12 -8.963 -7.689 -12.530 1.00 0.31 H new ATOM 0 H6 U A 12 -7.262 -8.843 -13.796 1.00 0.31 H new ATOM 281 P A A 13 -6.634 -13.839 -12.542 1.00 0.46 P ATOM 282 OP1 A A 13 -6.786 -14.619 -13.791 1.00 0.60 O ATOM 283 OP2 A A 13 -7.796 -13.107 -11.985 1.00 0.52 O ATOM 284 O5' A A 13 -6.055 -14.824 -11.401 1.00 0.49 O ATOM 285 C5' A A 13 -6.768 -15.037 -10.172 1.00 0.46 C ATOM 286 C4' A A 13 -6.183 -14.213 -9.025 1.00 0.41 C ATOM 287 O4' A A 13 -4.810 -14.572 -8.837 1.00 0.45 O ATOM 288 C3' A A 13 -6.144 -12.716 -9.271 1.00 0.37 C ATOM 289 O3' A A 13 -7.375 -12.173 -8.766 1.00 0.40 O ATOM 290 C2' A A 13 -5.020 -12.258 -8.353 1.00 0.38 C ATOM 291 O2' A A 13 -5.480 -12.103 -7.007 1.00 0.42 O ATOM 292 C1' A A 13 -4.034 -13.423 -8.451 1.00 0.42 C ATOM 293 N9 A A 13 -2.984 -13.202 -9.463 1.00 0.43 N ATOM 294 C8 A A 13 -3.069 -13.325 -10.826 1.00 0.48 C ATOM 295 N7 A A 13 -1.947 -13.079 -11.444 1.00 0.53 N ATOM 296 C5 A A 13 -1.062 -12.772 -10.415 1.00 0.51 C ATOM 297 C6 A A 13 0.296 -12.417 -10.403 1.00 0.58 C ATOM 298 N6 A A 13 1.037 -12.299 -11.501 1.00 0.64 N ATOM 299 N1 A A 13 0.871 -12.179 -9.215 1.00 0.61 N ATOM 300 C2 A A 13 0.138 -12.289 -8.112 1.00 0.60 C ATOM 301 N3 A A 13 -1.140 -12.612 -7.989 1.00 0.54 N ATOM 302 C4 A A 13 -1.685 -12.844 -9.203 1.00 0.47 C ATOM 0 H5' A A 13 -6.736 -16.095 -9.912 1.00 0.46 H new ATOM 0 H5'' A A 13 -7.817 -14.774 -10.310 1.00 0.46 H new ATOM 0 H4' A A 13 -6.836 -14.426 -8.178 1.00 0.41 H new ATOM 0 H3' A A 13 -6.010 -12.429 -10.314 1.00 0.37 H new ATOM 0 H2' A A 13 -4.599 -11.291 -8.630 1.00 0.38 H new ATOM 0 HO2' A A 13 -5.899 -11.223 -6.904 1.00 0.42 H new ATOM 0 H1' A A 13 -3.527 -13.545 -7.494 1.00 0.42 H new ATOM 0 H8 A A 13 -3.979 -13.600 -11.339 1.00 0.48 H new ATOM 0 H61 A A 13 2.020 -12.038 -11.427 1.00 0.64 H new ATOM 0 H62 A A 13 0.622 -12.470 -12.417 1.00 0.64 H new ATOM 0 H2 A A 13 0.657 -12.087 -7.187 1.00 0.60 H new ATOM 314 P G A 14 -7.674 -10.591 -8.826 1.00 0.41 P ATOM 315 OP1 G A 14 -9.098 -10.362 -8.479 1.00 0.51 O ATOM 316 OP2 G A 14 -7.139 -10.057 -10.101 1.00 0.43 O ATOM 317 O5' G A 14 -6.777 -10.006 -7.623 1.00 0.39 O ATOM 318 C5' G A 14 -6.004 -8.816 -7.800 1.00 0.39 C ATOM 319 C4' G A 14 -4.865 -8.722 -6.791 1.00 0.34 C ATOM 320 O4' G A 14 -3.932 -9.782 -7.041 1.00 0.34 O ATOM 321 C3' G A 14 -4.037 -7.451 -6.903 1.00 0.32 C ATOM 322 O3' G A 14 -4.560 -6.518 -5.944 1.00 0.35 O ATOM 323 C2' G A 14 -2.665 -7.884 -6.410 1.00 0.35 C ATOM 324 O2' G A 14 -2.611 -7.888 -4.979 1.00 0.43 O ATOM 325 C1' G A 14 -2.575 -9.309 -6.954 1.00 0.35 C ATOM 326 N9 G A 14 -1.955 -9.379 -8.293 1.00 0.33 N ATOM 327 C8 G A 14 -2.528 -9.730 -9.488 1.00 0.32 C ATOM 328 N7 G A 14 -1.697 -9.723 -10.493 1.00 0.35 N ATOM 329 C5 G A 14 -0.489 -9.336 -9.923 1.00 0.38 C ATOM 330 C6 G A 14 0.788 -9.149 -10.524 1.00 0.45 C ATOM 331 O6 G A 14 1.112 -9.302 -11.697 1.00 0.50 O ATOM 332 N1 G A 14 1.732 -8.756 -9.596 1.00 0.50 N ATOM 333 C2 G A 14 1.491 -8.567 -8.259 1.00 0.49 C ATOM 334 N2 G A 14 2.518 -8.191 -7.510 1.00 0.57 N ATOM 335 N3 G A 14 0.305 -8.738 -7.682 1.00 0.44 N ATOM 336 C4 G A 14 -0.636 -9.122 -8.574 1.00 0.38 C ATOM 0 H5' G A 14 -6.651 -7.945 -7.699 1.00 0.39 H new ATOM 0 H5'' G A 14 -5.596 -8.795 -8.811 1.00 0.39 H new ATOM 0 H4' G A 14 -5.346 -8.759 -5.814 1.00 0.34 H new ATOM 0 H3' G A 14 -4.031 -7.010 -7.900 1.00 0.32 H new ATOM 0 H2' G A 14 -1.855 -7.229 -6.731 1.00 0.35 H new ATOM 0 HO2' G A 14 -3.278 -7.263 -4.625 1.00 0.43 H new ATOM 0 H1' G A 14 -1.948 -9.909 -6.295 1.00 0.35 H new ATOM 0 H8 G A 14 -3.572 -9.989 -9.588 1.00 0.32 H new ATOM 0 H1 G A 14 2.682 -8.594 -9.931 1.00 0.50 H new ATOM 0 H21 G A 14 2.390 -8.037 -6.510 1.00 0.57 H new ATOM 0 H22 G A 14 3.436 -8.055 -7.934 1.00 0.57 H new ATOM 348 P G A 15 -5.955 -5.752 -6.193 1.00 0.35 P ATOM 349 OP1 G A 15 -6.943 -6.235 -5.205 1.00 0.45 O ATOM 350 OP2 G A 15 -6.278 -5.832 -7.639 1.00 0.34 O ATOM 351 O5' G A 15 -5.602 -4.212 -5.846 1.00 0.35 O ATOM 352 C5' G A 15 -4.310 -3.846 -5.338 1.00 0.37 C ATOM 353 C4' G A 15 -3.222 -4.093 -6.376 1.00 0.32 C ATOM 354 O4' G A 15 -3.329 -3.110 -7.422 1.00 0.31 O ATOM 355 C3' G A 15 -1.788 -3.992 -5.865 1.00 0.35 C ATOM 356 O3' G A 15 -1.041 -4.956 -6.616 1.00 0.36 O ATOM 357 C2' G A 15 -1.340 -2.602 -6.304 1.00 0.36 C ATOM 358 O2' G A 15 0.077 -2.551 -6.503 1.00 0.41 O ATOM 359 C1' G A 15 -2.070 -2.461 -7.628 1.00 0.33 C ATOM 360 N9 G A 15 -2.302 -1.048 -7.984 1.00 0.36 N ATOM 361 C8 G A 15 -1.889 -0.371 -9.098 1.00 0.44 C ATOM 362 N7 G A 15 -2.222 0.891 -9.102 1.00 0.48 N ATOM 363 C5 G A 15 -2.902 1.061 -7.902 1.00 0.44 C ATOM 364 C6 G A 15 -3.504 2.226 -7.345 1.00 0.51 C ATOM 365 O6 G A 15 -3.588 3.352 -7.826 1.00 0.58 O ATOM 366 N1 G A 15 -4.082 1.960 -6.118 1.00 0.52 N ATOM 367 C2 G A 15 -4.094 0.736 -5.501 1.00 0.47 C ATOM 368 N2 G A 15 -4.732 0.655 -4.346 1.00 0.56 N ATOM 369 N3 G A 15 -3.537 -0.359 -6.007 1.00 0.38 N ATOM 370 C4 G A 15 -2.960 -0.124 -7.208 1.00 0.37 C ATOM 0 H5' G A 15 -4.094 -4.420 -4.437 1.00 0.37 H new ATOM 0 H5'' G A 15 -4.313 -2.794 -5.053 1.00 0.37 H new ATOM 0 H4' G A 15 -3.393 -5.119 -6.702 1.00 0.32 H new ATOM 0 H3' G A 15 -1.672 -4.153 -4.793 1.00 0.35 H new ATOM 0 H2' G A 15 -1.556 -1.817 -5.579 1.00 0.36 H new ATOM 0 HO2' G A 15 0.530 -2.969 -5.741 1.00 0.41 H new ATOM 0 H1' G A 15 -1.486 -2.893 -8.441 1.00 0.33 H new ATOM 0 H8 G A 15 -1.338 -0.838 -9.901 1.00 0.44 H new ATOM 0 H1 G A 15 -4.535 2.735 -5.634 1.00 0.52 H new ATOM 0 H21 G A 15 -4.771 -0.233 -3.846 1.00 0.56 H new ATOM 0 H22 G A 15 -5.186 1.481 -3.955 1.00 0.56 H new ATOM 382 P U A 16 0.381 -5.516 -6.106 1.00 0.40 P ATOM 383 OP1 U A 16 0.170 -6.858 -5.519 1.00 0.44 O ATOM 384 OP2 U A 16 1.048 -4.461 -5.309 1.00 0.45 O ATOM 385 O5' U A 16 1.176 -5.682 -7.497 1.00 0.39 O ATOM 386 C5' U A 16 0.953 -4.749 -8.563 1.00 0.37 C ATOM 387 C4' U A 16 0.875 -5.436 -9.922 1.00 0.34 C ATOM 388 O4' U A 16 -0.223 -6.356 -9.949 1.00 0.31 O ATOM 389 C3' U A 16 0.605 -4.503 -11.090 1.00 0.35 C ATOM 390 O3' U A 16 1.876 -4.090 -11.598 1.00 0.45 O ATOM 391 C2' U A 16 -0.009 -5.434 -12.116 1.00 0.35 C ATOM 392 O2' U A 16 1.003 -6.220 -12.752 1.00 0.42 O ATOM 393 C1' U A 16 -0.894 -6.303 -11.226 1.00 0.31 C ATOM 394 N1 U A 16 -2.238 -5.739 -11.016 1.00 0.27 N ATOM 395 C2 U A 16 -3.033 -5.526 -12.127 1.00 0.31 C ATOM 396 O2 U A 16 -2.654 -5.756 -13.271 1.00 0.39 O ATOM 397 N3 U A 16 -4.291 -5.030 -11.880 1.00 0.29 N ATOM 398 C4 U A 16 -4.817 -4.730 -10.642 1.00 0.26 C ATOM 399 O4 U A 16 -5.972 -4.318 -10.553 1.00 0.30 O ATOM 400 C5 U A 16 -3.929 -4.976 -9.533 1.00 0.25 C ATOM 401 C6 U A 16 -2.684 -5.466 -9.755 1.00 0.24 C ATOM 0 H5' U A 16 1.758 -4.014 -8.575 1.00 0.37 H new ATOM 0 H5'' U A 16 0.027 -4.204 -8.379 1.00 0.37 H new ATOM 0 H4' U A 16 1.855 -5.900 -10.036 1.00 0.34 H new ATOM 0 H3' U A 16 -0.007 -3.634 -10.846 1.00 0.35 H new ATOM 0 H2' U A 16 -0.539 -4.933 -12.926 1.00 0.35 H new ATOM 0 HO2' U A 16 1.840 -5.711 -12.785 1.00 0.42 H new ATOM 0 H1' U A 16 -1.034 -7.276 -11.698 1.00 0.31 H new ATOM 0 H3 U A 16 -4.891 -4.869 -12.689 1.00 0.29 H new ATOM 0 H5 U A 16 -4.256 -4.770 -8.524 1.00 0.25 H new ATOM 0 H6 U A 16 -2.030 -5.644 -8.914 1.00 0.24 H new ATOM 412 P A A 17 2.460 -2.628 -11.271 1.00 0.48 P ATOM 413 OP1 A A 17 3.838 -2.788 -10.756 1.00 0.71 O ATOM 414 OP2 A A 17 1.454 -1.888 -10.475 1.00 0.59 O ATOM 415 O5' A A 17 2.542 -1.961 -12.735 1.00 0.46 O ATOM 416 C5' A A 17 1.537 -1.046 -13.182 1.00 0.46 C ATOM 417 C4' A A 17 0.669 -1.640 -14.289 1.00 0.40 C ATOM 418 O4' A A 17 -0.194 -2.651 -13.745 1.00 0.37 O ATOM 419 C3' A A 17 -0.297 -0.657 -14.912 1.00 0.39 C ATOM 420 O3' A A 17 0.379 -0.039 -16.014 1.00 0.46 O ATOM 421 C2' A A 17 -1.359 -1.565 -15.501 1.00 0.36 C ATOM 422 O2' A A 17 -0.906 -2.132 -16.733 1.00 0.43 O ATOM 423 C1' A A 17 -1.472 -2.637 -14.421 1.00 0.33 C ATOM 424 N9 A A 17 -2.535 -2.363 -13.432 1.00 0.27 N ATOM 425 C8 A A 17 -2.414 -2.195 -12.078 1.00 0.28 C ATOM 426 N7 A A 17 -3.553 -1.998 -11.470 1.00 0.28 N ATOM 427 C5 A A 17 -4.491 -2.040 -12.500 1.00 0.24 C ATOM 428 C6 A A 17 -5.890 -1.901 -12.523 1.00 0.24 C ATOM 429 N6 A A 17 -6.628 -1.698 -11.437 1.00 0.29 N ATOM 430 N1 A A 17 -6.509 -1.994 -13.709 1.00 0.23 N ATOM 431 C2 A A 17 -5.781 -2.214 -14.800 1.00 0.25 C ATOM 432 N3 A A 17 -4.469 -2.362 -14.911 1.00 0.26 N ATOM 433 C4 A A 17 -3.879 -2.261 -13.700 1.00 0.24 C ATOM 0 H5' A A 17 2.013 -0.135 -13.545 1.00 0.46 H new ATOM 0 H5'' A A 17 0.906 -0.762 -12.340 1.00 0.46 H new ATOM 0 H4' A A 17 1.386 -1.998 -15.028 1.00 0.40 H new ATOM 0 H3' A A 17 -0.676 0.098 -14.223 1.00 0.39 H new ATOM 0 H2' A A 17 -2.299 -1.066 -15.735 1.00 0.36 H new ATOM 0 HO2' A A 17 -0.254 -1.530 -17.150 1.00 0.43 H new ATOM 0 H1' A A 17 -1.730 -3.588 -14.886 1.00 0.33 H new ATOM 0 H8 A A 17 -1.466 -2.223 -11.562 1.00 0.28 H new ATOM 0 H61 A A 17 -7.640 -1.605 -11.518 1.00 0.29 H new ATOM 0 H62 A A 17 -6.182 -1.635 -10.522 1.00 0.29 H new ATOM 0 H2 A A 17 -6.336 -2.281 -15.724 1.00 0.25 H new ATOM 445 P A A 18 1.233 1.309 -15.819 1.00 0.52 P ATOM 446 OP1 A A 18 2.657 0.997 -16.073 1.00 0.64 O ATOM 447 OP2 A A 18 0.832 1.938 -14.538 1.00 0.53 O ATOM 448 O5' A A 18 0.696 2.230 -17.026 1.00 0.54 O ATOM 449 C5' A A 18 -0.575 2.888 -16.937 1.00 0.50 C ATOM 450 C4' A A 18 -1.657 2.157 -17.731 1.00 0.45 C ATOM 451 O4' A A 18 -2.001 0.925 -17.078 1.00 0.40 O ATOM 452 C3' A A 18 -2.986 2.878 -17.793 1.00 0.44 C ATOM 453 O3' A A 18 -2.948 3.799 -18.893 1.00 0.50 O ATOM 454 C2' A A 18 -3.926 1.753 -18.166 1.00 0.41 C ATOM 455 O2' A A 18 -3.756 1.377 -19.536 1.00 0.48 O ATOM 456 C1' A A 18 -3.416 0.662 -17.228 1.00 0.38 C ATOM 457 N9 A A 18 -4.068 0.723 -15.907 1.00 0.33 N ATOM 458 C8 A A 18 -3.490 0.731 -14.669 1.00 0.31 C ATOM 459 N7 A A 18 -4.348 0.806 -13.688 1.00 0.30 N ATOM 460 C5 A A 18 -5.579 0.847 -14.332 1.00 0.29 C ATOM 461 C6 A A 18 -6.897 0.927 -13.860 1.00 0.30 C ATOM 462 N6 A A 18 -7.211 0.969 -12.570 1.00 0.30 N ATOM 463 N1 A A 18 -7.888 0.948 -14.764 1.00 0.32 N ATOM 464 C2 A A 18 -7.580 0.893 -16.055 1.00 0.35 C ATOM 465 N3 A A 18 -6.390 0.815 -16.625 1.00 0.36 N ATOM 466 C4 A A 18 -5.420 0.797 -15.685 1.00 0.32 C ATOM 0 H5' A A 18 -0.481 3.909 -17.308 1.00 0.50 H new ATOM 0 H5'' A A 18 -0.876 2.955 -15.891 1.00 0.50 H new ATOM 0 H4' A A 18 -1.221 2.054 -18.725 1.00 0.45 H new ATOM 0 H3' A A 18 -3.251 3.419 -16.884 1.00 0.44 H new ATOM 0 H2' A A 18 -4.987 1.984 -18.071 1.00 0.41 H new ATOM 0 HO2' A A 18 -3.349 2.119 -20.031 1.00 0.48 H new ATOM 0 H1' A A 18 -3.629 -0.327 -17.634 1.00 0.38 H new ATOM 0 H8 A A 18 -2.422 0.680 -14.516 1.00 0.31 H new ATOM 0 H61 A A 18 -8.189 1.027 -12.285 1.00 0.30 H new ATOM 0 H62 A A 18 -6.475 0.943 -11.865 1.00 0.30 H new ATOM 0 H2 A A 18 -8.420 0.915 -16.734 1.00 0.35 H new ATOM 478 P U A 19 -2.446 5.315 -18.677 1.00 0.57 P ATOM 479 OP1 U A 19 -3.173 6.184 -19.631 1.00 0.63 O ATOM 480 OP2 U A 19 -0.966 5.317 -18.662 1.00 0.66 O ATOM 481 O5' U A 19 -2.968 5.646 -17.186 1.00 0.55 O ATOM 482 C5' U A 19 -4.184 6.372 -16.962 1.00 0.54 C ATOM 483 C4' U A 19 -5.393 5.695 -17.609 1.00 0.48 C ATOM 484 O4' U A 19 -5.568 4.387 -17.047 1.00 0.42 O ATOM 485 C3' U A 19 -6.715 6.400 -17.349 1.00 0.47 C ATOM 486 O3' U A 19 -6.954 7.262 -18.470 1.00 0.55 O ATOM 487 C2' U A 19 -7.728 5.273 -17.428 1.00 0.45 C ATOM 488 O2' U A 19 -8.044 4.972 -18.790 1.00 0.52 O ATOM 489 C1' U A 19 -6.959 4.121 -16.785 1.00 0.39 C ATOM 490 N1 U A 19 -7.160 4.036 -15.325 1.00 0.33 N ATOM 491 C2 U A 19 -8.449 3.874 -14.858 1.00 0.34 C ATOM 492 O2 U A 19 -9.419 3.767 -15.602 1.00 0.41 O ATOM 493 N3 U A 19 -8.590 3.807 -13.492 1.00 0.33 N ATOM 494 C4 U A 19 -7.577 3.880 -12.563 1.00 0.32 C ATOM 495 O4 U A 19 -7.838 3.800 -11.366 1.00 0.36 O ATOM 496 C5 U A 19 -6.260 4.044 -13.125 1.00 0.32 C ATOM 497 C6 U A 19 -6.100 4.116 -14.468 1.00 0.32 C ATOM 0 H5' U A 19 -4.080 7.382 -17.360 1.00 0.54 H new ATOM 0 H5'' U A 19 -4.355 6.468 -15.890 1.00 0.54 H new ATOM 0 H4' U A 19 -5.175 5.701 -18.677 1.00 0.48 H new ATOM 0 H3' U A 19 -6.748 6.962 -16.416 1.00 0.47 H new ATOM 0 H2' U A 19 -8.681 5.496 -16.948 1.00 0.45 H new ATOM 0 HO2' U A 19 -7.881 5.762 -19.346 1.00 0.52 H new ATOM 0 H1' U A 19 -7.309 3.175 -17.199 1.00 0.39 H new ATOM 0 H3 U A 19 -9.537 3.692 -13.132 1.00 0.33 H new ATOM 0 H5 U A 19 -5.400 4.110 -12.475 1.00 0.32 H new ATOM 0 H6 U A 19 -5.106 4.240 -14.872 1.00 0.32 H new ATOM 508 P G A 20 -6.667 8.844 -18.381 1.00 0.60 P ATOM 509 OP1 G A 20 -6.162 9.297 -19.695 1.00 0.77 O ATOM 510 OP2 G A 20 -5.876 9.108 -17.156 1.00 0.63 O ATOM 511 O5' G A 20 -8.145 9.453 -18.173 1.00 0.62 O ATOM 512 C5' G A 20 -8.610 9.840 -16.875 1.00 0.52 C ATOM 513 C4' G A 20 -10.073 9.464 -16.667 1.00 0.48 C ATOM 514 O4' G A 20 -10.185 8.037 -16.512 1.00 0.47 O ATOM 515 C3' G A 20 -10.694 10.011 -15.394 1.00 0.43 C ATOM 516 O3' G A 20 -11.273 11.288 -15.717 1.00 0.48 O ATOM 517 C2' G A 20 -11.824 9.028 -15.156 1.00 0.47 C ATOM 518 O2' G A 20 -12.892 9.231 -16.088 1.00 0.59 O ATOM 519 C1' G A 20 -11.090 7.725 -15.434 1.00 0.46 C ATOM 520 N9 G A 20 -10.306 7.272 -14.271 1.00 0.39 N ATOM 521 C8 G A 20 -9.000 6.869 -14.231 1.00 0.36 C ATOM 522 N7 G A 20 -8.591 6.525 -13.039 1.00 0.36 N ATOM 523 C5 G A 20 -9.710 6.718 -12.235 1.00 0.39 C ATOM 524 C6 G A 20 -9.880 6.511 -10.838 1.00 0.45 C ATOM 525 O6 G A 20 -9.063 6.087 -10.021 1.00 0.49 O ATOM 526 N1 G A 20 -11.161 6.831 -10.427 1.00 0.51 N ATOM 527 C2 G A 20 -12.159 7.287 -11.246 1.00 0.52 C ATOM 528 N2 G A 20 -13.324 7.562 -10.680 1.00 0.60 N ATOM 529 N3 G A 20 -12.019 7.482 -12.557 1.00 0.47 N ATOM 530 C4 G A 20 -10.767 7.177 -12.980 1.00 0.41 C ATOM 0 H5' G A 20 -8.489 10.916 -16.751 1.00 0.52 H new ATOM 0 H5'' G A 20 -7.998 9.360 -16.111 1.00 0.52 H new ATOM 0 H4' G A 20 -10.581 9.877 -17.538 1.00 0.48 H new ATOM 0 H3' G A 20 -10.009 10.123 -14.554 1.00 0.43 H new ATOM 0 H2' G A 20 -12.300 9.094 -14.178 1.00 0.47 H new ATOM 0 HO2' G A 20 -12.982 10.188 -16.278 1.00 0.59 H new ATOM 0 H1' G A 20 -11.795 6.927 -15.667 1.00 0.46 H new ATOM 0 H8 G A 20 -8.365 6.838 -15.104 1.00 0.36 H new ATOM 0 H1 G A 20 -11.379 6.719 -9.437 1.00 0.51 H new ATOM 0 H21 G A 20 -14.099 7.905 -11.248 1.00 0.60 H new ATOM 0 H22 G A 20 -13.447 7.431 -9.676 1.00 0.60 H new ATOM 542 P A A 21 -11.963 12.209 -14.587 1.00 0.62 P ATOM 543 OP1 A A 21 -12.537 13.401 -15.250 1.00 0.68 O ATOM 544 OP2 A A 21 -11.002 12.377 -13.474 1.00 0.83 O ATOM 545 O5' A A 21 -13.178 11.280 -14.073 1.00 0.73 O ATOM 546 C5' A A 21 -14.418 11.853 -13.630 1.00 0.68 C ATOM 547 C4' A A 21 -14.435 12.091 -12.120 1.00 0.47 C ATOM 548 O4' A A 21 -14.118 10.868 -11.441 1.00 0.46 O ATOM 549 C3' A A 21 -13.391 13.070 -11.607 1.00 0.43 C ATOM 550 O3' A A 21 -13.982 14.377 -11.643 1.00 0.51 O ATOM 551 C2' A A 21 -13.262 12.661 -10.149 1.00 0.43 C ATOM 552 O2' A A 21 -14.357 13.166 -9.378 1.00 0.54 O ATOM 553 C1' A A 21 -13.331 11.138 -10.265 1.00 0.42 C ATOM 554 N9 A A 21 -12.001 10.529 -10.432 1.00 0.39 N ATOM 555 C8 A A 21 -11.323 10.248 -11.590 1.00 0.40 C ATOM 556 N7 A A 21 -10.154 9.708 -11.392 1.00 0.39 N ATOM 557 C5 A A 21 -10.057 9.629 -10.008 1.00 0.36 C ATOM 558 C6 A A 21 -9.056 9.149 -9.152 1.00 0.37 C ATOM 559 N6 A A 21 -7.912 8.625 -9.578 1.00 0.38 N ATOM 560 N1 A A 21 -9.279 9.219 -7.833 1.00 0.40 N ATOM 561 C2 A A 21 -10.422 9.732 -7.395 1.00 0.42 C ATOM 562 N3 A A 21 -11.436 10.213 -8.093 1.00 0.41 N ATOM 563 C4 A A 21 -11.178 10.128 -9.414 1.00 0.37 C ATOM 0 H5' A A 21 -15.240 11.191 -13.901 1.00 0.68 H new ATOM 0 H5'' A A 21 -14.586 12.798 -14.147 1.00 0.68 H new ATOM 0 H4' A A 21 -15.432 12.487 -11.928 1.00 0.47 H new ATOM 0 H3' A A 21 -12.452 13.072 -12.160 1.00 0.43 H new ATOM 0 H2' A A 21 -12.367 13.035 -9.652 1.00 0.43 H new ATOM 0 HO2' A A 21 -14.763 13.926 -9.845 1.00 0.54 H new ATOM 0 H1' A A 21 -13.759 10.717 -9.355 1.00 0.42 H new ATOM 0 H8 A A 21 -11.720 10.455 -12.573 1.00 0.40 H new ATOM 0 H61 A A 21 -7.221 8.292 -8.905 1.00 0.38 H new ATOM 0 H62 A A 21 -7.724 8.555 -10.578 1.00 0.38 H new ATOM 0 H2 A A 21 -10.540 9.760 -6.322 1.00 0.42 H new ATOM 575 P G A 22 -13.094 15.692 -11.360 1.00 0.58 P ATOM 576 OP1 G A 22 -13.959 16.880 -11.544 1.00 0.76 O ATOM 577 OP2 G A 22 -11.833 15.573 -12.126 1.00 0.66 O ATOM 578 O5' G A 22 -12.753 15.556 -9.790 1.00 0.54 O ATOM 579 C5' G A 22 -11.446 15.877 -9.296 1.00 0.55 C ATOM 580 C4' G A 22 -11.235 15.377 -7.870 1.00 0.53 C ATOM 581 O4' G A 22 -11.328 13.941 -7.849 1.00 0.56 O ATOM 582 C3' G A 22 -9.858 15.678 -7.293 1.00 0.57 C ATOM 583 O3' G A 22 -9.975 16.895 -6.540 1.00 0.68 O ATOM 584 C2' G A 22 -9.655 14.538 -6.308 1.00 0.57 C ATOM 585 O2' G A 22 -10.395 14.766 -5.105 1.00 0.68 O ATOM 586 C1' G A 22 -10.237 13.374 -7.102 1.00 0.52 C ATOM 587 N9 G A 22 -9.265 12.801 -8.055 1.00 0.46 N ATOM 588 C8 G A 22 -9.298 12.831 -9.424 1.00 0.48 C ATOM 589 N7 G A 22 -8.275 12.254 -9.987 1.00 0.46 N ATOM 590 C5 G A 22 -7.510 11.808 -8.915 1.00 0.41 C ATOM 591 C6 G A 22 -6.277 11.105 -8.906 1.00 0.40 C ATOM 592 O6 G A 22 -5.603 10.734 -9.859 1.00 0.44 O ATOM 593 N1 G A 22 -5.845 10.846 -7.620 1.00 0.40 N ATOM 594 C2 G A 22 -6.508 11.213 -6.478 1.00 0.42 C ATOM 595 N2 G A 22 -5.953 10.867 -5.325 1.00 0.49 N ATOM 596 N3 G A 22 -7.666 11.873 -6.468 1.00 0.44 N ATOM 597 C4 G A 22 -8.107 12.137 -7.723 1.00 0.42 C ATOM 0 H5' G A 22 -11.302 16.957 -9.326 1.00 0.55 H new ATOM 0 H5'' G A 22 -10.693 15.437 -9.950 1.00 0.55 H new ATOM 0 H4' G A 22 -11.996 15.890 -7.282 1.00 0.53 H new ATOM 0 H3' G A 22 -9.063 15.771 -8.033 1.00 0.57 H new ATOM 0 H2' G A 22 -8.625 14.393 -5.981 1.00 0.57 H new ATOM 0 HO2' G A 22 -10.577 15.724 -5.010 1.00 0.68 H new ATOM 0 H1' G A 22 -10.531 12.569 -6.429 1.00 0.52 H new ATOM 0 H8 G A 22 -10.098 13.291 -9.985 1.00 0.48 H new ATOM 0 H1 G A 22 -4.964 10.343 -7.512 1.00 0.40 H new ATOM 0 H21 G A 22 -6.406 11.116 -4.446 1.00 0.49 H new ATOM 0 H22 G A 22 -5.073 10.352 -5.317 1.00 0.49 H new ATOM 609 P U A 23 -8.669 17.689 -6.034 1.00 0.68 P ATOM 610 OP1 U A 23 -9.017 19.121 -5.901 1.00 0.84 O ATOM 611 OP2 U A 23 -7.520 17.285 -6.877 1.00 0.67 O ATOM 612 O5' U A 23 -8.443 17.088 -4.555 1.00 0.69 O ATOM 613 C5' U A 23 -7.161 17.174 -3.920 1.00 0.68 C ATOM 614 C4' U A 23 -6.783 15.858 -3.246 1.00 0.67 C ATOM 615 O4' U A 23 -6.754 14.817 -4.237 1.00 0.58 O ATOM 616 C3' U A 23 -5.386 15.833 -2.623 1.00 0.71 C ATOM 617 O3' U A 23 -5.302 14.824 -1.611 1.00 0.81 O ATOM 618 C2' U A 23 -4.542 15.451 -3.829 1.00 0.63 C ATOM 619 O2' U A 23 -3.269 14.935 -3.423 1.00 0.71 O ATOM 620 C1' U A 23 -5.411 14.354 -4.426 1.00 0.55 C ATOM 621 N1 U A 23 -5.165 14.146 -5.868 1.00 0.47 N ATOM 622 C2 U A 23 -4.069 13.386 -6.224 1.00 0.49 C ATOM 623 O2 U A 23 -3.301 12.906 -5.398 1.00 0.60 O ATOM 624 N3 U A 23 -3.878 13.197 -7.572 1.00 0.48 N ATOM 625 C4 U A 23 -4.668 13.693 -8.584 1.00 0.47 C ATOM 626 O4 U A 23 -4.390 13.441 -9.751 1.00 0.54 O ATOM 627 C5 U A 23 -5.795 14.481 -8.138 1.00 0.47 C ATOM 628 C6 U A 23 -6.001 14.677 -6.813 1.00 0.47 C ATOM 0 H5' U A 23 -7.173 17.973 -3.179 1.00 0.68 H new ATOM 0 H5'' U A 23 -6.404 17.436 -4.659 1.00 0.68 H new ATOM 0 H4' U A 23 -7.527 15.726 -2.461 1.00 0.67 H new ATOM 0 H3' U A 23 -5.090 16.762 -2.135 1.00 0.71 H new ATOM 0 H2' U A 23 -4.307 16.272 -4.506 1.00 0.63 H new ATOM 0 HO2' U A 23 -3.016 14.190 -4.008 1.00 0.71 H new ATOM 0 HO3' U A 23 -4.432 14.376 -1.667 1.00 0.81 H new ATOM 0 H1' U A 23 -5.200 13.398 -3.948 1.00 0.55 H new ATOM 0 H3 U A 23 -3.073 12.635 -7.849 1.00 0.48 H new ATOM 0 H5 U A 23 -6.472 14.913 -8.860 1.00 0.47 H new ATOM 0 H6 U A 23 -6.847 15.268 -6.494 1.00 0.47 H new TER 640 U A 23 HETATM 641 C1 TOA A 100 -8.730 0.388 -7.424 1.00 0.26 C HETATM 642 C2 TOA A 100 -8.229 1.814 -7.643 1.00 0.27 C HETATM 643 C3 TOA A 100 -7.320 1.852 -8.876 1.00 0.28 C HETATM 644 C4 TOA A 100 -6.193 0.826 -8.740 1.00 0.31 C HETATM 645 C5 TOA A 100 -6.791 -0.551 -8.455 1.00 0.30 C HETATM 646 C6 TOA A 100 -5.763 -1.643 -8.220 1.00 0.34 C HETATM 647 O2 TOA A 100 -9.335 2.692 -7.830 1.00 0.30 O HETATM 648 N3 TOA A 100 -6.699 3.157 -9.248 1.00 0.33 N HETATM 649 O4 TOA A 100 -5.443 0.794 -9.950 1.00 0.38 O HETATM 650 O5 TOA A 100 -7.622 -0.483 -7.281 1.00 0.28 O HETATM 651 O6 TOA A 100 -6.396 -2.904 -8.039 1.00 0.39 O HETATM 0 HN33 TOA A 100 -6.958 3.397 -10.205 1.00 0.33 H new HETATM 0 HN32 TOA A 100 -7.030 3.884 -8.614 1.00 0.33 H new HETATM 0 HN31 TOA A 100 -5.684 3.083 -9.180 1.00 0.33 H new HETATM 0 HO6 TOA A 100 -6.131 -3.282 -7.174 1.00 0.39 H new HETATM 0 HO4 TOA A 100 -4.486 0.839 -9.743 1.00 0.38 H new HETATM 0 HO2 TOA A 100 -9.092 3.593 -7.530 1.00 0.30 H new HETATM 0 H62 TOA A 100 -5.079 -1.693 -9.067 1.00 0.34 H new HETATM 0 H61 TOA A 100 -5.165 -1.402 -7.341 1.00 0.34 H new HETATM 0 H5 TOA A 100 -7.353 -0.813 -9.351 1.00 0.30 H new HETATM 0 H4 TOA A 100 -5.535 1.103 -7.917 1.00 0.31 H new HETATM 0 H3 TOA A 100 -8.019 1.628 -9.681 1.00 0.28 H new HETATM 0 H2 TOA A 100 -7.665 2.137 -6.768 1.00 0.27 H new HETATM 665 C1 TOC A 102 -10.896 -5.020 -7.100 1.00 0.37 C HETATM 666 C2 TOC A 102 -9.610 -5.829 -7.294 1.00 0.38 C HETATM 667 C3 TOC A 102 -9.908 -7.156 -7.991 1.00 0.45 C HETATM 668 C4 TOC A 102 -10.995 -7.890 -7.224 1.00 0.52 C HETATM 669 C5 TOC A 102 -12.235 -7.013 -7.137 1.00 0.51 C HETATM 670 C6 TOC A 102 -13.345 -7.695 -6.358 1.00 0.64 C HETATM 671 N2 TOC A 102 -8.646 -5.036 -8.117 1.00 0.33 N HETATM 672 N6 TOC A 102 -13.636 -9.013 -7.022 1.00 0.71 N HETATM 673 O4 TOC A 102 -11.313 -9.113 -7.873 1.00 0.60 O HETATM 674 O5 TOC A 102 -11.908 -5.789 -6.459 1.00 0.46 O HETATM 0 HN63 TOC A 102 -14.101 -9.633 -6.359 1.00 0.71 H new HETATM 0 HN62 TOC A 102 -14.243 -8.862 -7.828 1.00 0.71 H new HETATM 0 HN61 TOC A 102 -12.762 -9.439 -7.330 1.00 0.71 H new HETATM 0 HN23 TOC A 102 -7.694 -5.341 -7.915 1.00 0.33 H new HETATM 0 HN22 TOC A 102 -8.845 -5.179 -9.107 1.00 0.33 H new HETATM 0 HN21 TOC A 102 -8.740 -4.046 -7.892 1.00 0.33 H new HETATM 0 HO4 TOC A 102 -10.525 -9.443 -8.353 1.00 0.60 H new HETATM 0 H62 TOC A 102 -13.045 -7.848 -5.322 1.00 0.64 H new HETATM 0 H61 TOC A 102 -14.238 -7.071 -6.342 1.00 0.64 H new HETATM 0 H5 TOC A 102 -12.576 -6.822 -8.154 1.00 0.51 H new HETATM 0 H4 TOC A 102 -10.635 -8.111 -6.219 1.00 0.52 H new HETATM 0 H32 TOC A 102 -10.228 -6.977 -9.018 1.00 0.45 H new HETATM 0 H31 TOC A 102 -9.006 -7.766 -8.040 1.00 0.45 H new HETATM 0 H2 TOC A 102 -9.177 -6.040 -6.316 1.00 0.38 H new HETATM 690 C1 2TB A 101 -11.812 -0.333 -9.202 1.00 0.28 C HETATM 691 C2 2TB A 101 -13.031 -1.270 -9.213 1.00 0.31 C HETATM 692 C3 2TB A 101 -12.631 -2.735 -9.383 1.00 0.31 C HETATM 693 C4 2TB A 101 -11.644 -3.103 -8.282 1.00 0.29 C HETATM 694 C5 2TB A 101 -10.373 -2.270 -8.444 1.00 0.26 C HETATM 695 C6 2TB A 101 -10.697 -0.783 -8.247 1.00 0.26 C HETATM 696 N1 2TB A 101 -12.185 1.088 -8.859 1.00 0.33 N HETATM 697 N3 2TB A 101 -13.822 -3.637 -9.345 1.00 0.36 N HETATM 698 O5 2TB A 101 -9.405 -2.695 -7.493 1.00 0.29 O HETATM 699 O4 2TB A 101 -11.325 -4.505 -8.330 1.00 0.33 O HETATM 700 O6 2TB A 101 -9.527 0.017 -8.516 1.00 0.25 O HETATM 0 HN33 2TB A 101 -13.604 -4.465 -8.791 1.00 0.36 H new HETATM 0 HN32 2TB A 101 -14.609 -3.144 -8.923 1.00 0.36 H new HETATM 0 HN31 2TB A 101 -14.067 -3.918 -10.295 1.00 0.36 H new HETATM 0 HN13 2TB A 101 -11.459 1.498 -8.272 1.00 0.33 H new HETATM 0 HN12 2TB A 101 -12.277 1.632 -9.717 1.00 0.33 H new HETATM 0 HN11 2TB A 101 -13.072 1.095 -8.356 1.00 0.33 H new HETATM 0 HO5 2TB A 101 -8.668 -2.049 -7.465 1.00 0.29 H new HETATM 0 H6 2TB A 101 -11.023 -0.649 -7.215 1.00 0.26 H new HETATM 0 H5 2TB A 101 -9.971 -2.409 -9.447 1.00 0.26 H new HETATM 0 H4 2TB A 101 -12.099 -2.892 -7.314 1.00 0.29 H new HETATM 0 H3 2TB A 101 -12.164 -2.864 -10.359 1.00 0.31 H new HETATM 0 H22 2TB A 101 -13.586 -1.152 -8.282 1.00 0.31 H new HETATM 0 H21 2TB A 101 -13.701 -0.982 -10.023 1.00 0.31 H new HETATM 0 H1 2TB A 101 -11.432 -0.381 -10.222 1.00 0.28 H new