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 111:sc= 0.583 USER MOD Set 1.2: A 101 2TB O5 : rot -175:sc= 0.782 USER MOD Set 1.3: A 102 TOC N2 :NH3+ 141:sc= 2.88 (180deg=0.444) USER MOD Set 2.1: A 100 TOA O2 : rot 158:sc= 1.81 USER MOD Set 2.2: A 101 2TB N1 :NH3+ 179:sc= -0.108! (180deg=-0.194!) USER MOD Single : A 4 A O2' : rot -65:sc= 0.511 USER MOD Single : A 4 A O5' : rot 12:sc= 0.0872 USER MOD Single : A 5 C O2' : rot -24:sc= 0.213 USER MOD Single : A 6 U O2' : rot -22:sc= 0.23 USER MOD Single : A 7 U O2' : rot -15:sc= 0.318 USER MOD Single : A 8 G O2' : rot -21:sc= 0.451 USER MOD Single : A 9 G O2' : rot -29:sc= 0.158 USER MOD Single : A 10 U O2' : rot -20:sc= 0.286 USER MOD Single : A 11 U O2' : rot -18:sc= 0.439 USER MOD Single : A 12 U O2' : rot -73:sc= 1.46 USER MOD Single : A 13 A O2' : rot 180:sc= -3.2! USER MOD Single : A 14 G O2' : rot 173:sc= 1.17 USER MOD Single : A 15 G O2' : rot -40:sc= 0.446 USER MOD Single : A 16 U O2' : rot -19:sc= 0.245 USER MOD Single : A 17 A O2' : rot -29:sc= 0.433 USER MOD Single : A 18 A O2' : rot -18:sc= 0.233 USER MOD Single : A 19 U O2' : rot -22:sc= 0.374 USER MOD Single : A 20 G O2' : rot -20:sc= 0.23 USER MOD Single : A 21 A O2' : rot -21:sc= 0.39 USER MOD Single : A 22 G O2' : rot -28:sc= 0.295 USER MOD Single : A 23 U O2' : rot 141:sc= 0.735 USER MOD Single : A 23 U O3' : rot 141:sc= 0.103 USER MOD Single : A 100 TOA N3 :NH3+ -121:sc= 2.49 (180deg=-1.1!) USER MOD Single : A 100 TOA O4 : rot 160:sc= 0.189 USER MOD Single : A 101 2TB N3 :NH3+ -172:sc= 1.28 (180deg=1.27) USER MOD Single : A 102 TOC N6 :NH3+ 156:sc= 0.795 (180deg=0.389!) USER MOD Single : A 102 TOC O4 : rot 26:sc= 1.84 USER MOD ----------------------------------------------------------------- ATOM 1 O5' A A 4 6.293 8.033 -9.196 1.00 1.47 O ATOM 2 C5' A A 4 5.731 9.328 -8.968 1.00 1.41 C ATOM 3 C4' A A 4 4.881 9.340 -7.702 1.00 1.25 C ATOM 4 O4' A A 4 4.231 10.609 -7.569 1.00 1.26 O ATOM 5 C3' A A 4 3.731 8.350 -7.699 1.00 1.07 C ATOM 6 O3' A A 4 4.244 7.108 -7.188 1.00 1.12 O ATOM 7 C2' A A 4 2.810 8.948 -6.648 1.00 0.99 C ATOM 8 O2' A A 4 3.285 8.657 -5.331 1.00 1.08 O ATOM 9 C1' A A 4 2.935 10.444 -6.961 1.00 1.11 C ATOM 10 N9 A A 4 1.905 10.912 -7.910 1.00 1.05 N ATOM 11 C8 A A 4 1.970 10.987 -9.279 1.00 1.12 C ATOM 12 N7 A A 4 0.886 11.464 -9.829 1.00 1.08 N ATOM 13 C5 A A 4 0.050 11.720 -8.747 1.00 0.96 C ATOM 14 C6 A A 4 -1.253 12.237 -8.650 1.00 0.90 C ATOM 15 N6 A A 4 -1.982 12.611 -9.699 1.00 0.94 N ATOM 16 N1 A A 4 -1.785 12.360 -7.426 1.00 0.83 N ATOM 17 C2 A A 4 -1.070 11.993 -6.371 1.00 0.83 C ATOM 18 N3 A A 4 0.156 11.498 -6.327 1.00 0.89 N ATOM 19 C4 A A 4 0.662 11.386 -7.573 1.00 0.95 C ATOM 0 H5' A A 4 5.121 9.619 -9.823 1.00 1.41 H new ATOM 0 H5'' A A 4 6.530 10.065 -8.881 1.00 1.41 H new ATOM 0 H4' A A 4 5.587 9.096 -6.908 1.00 1.25 H new ATOM 0 H3' A A 4 3.260 8.181 -8.667 1.00 1.07 H new ATOM 0 H2' A A 4 1.788 8.569 -6.674 1.00 0.99 H new ATOM 0 HO2' A A 4 3.244 7.690 -5.175 1.00 1.08 H new ATOM 0 HO5' A A 4 5.870 7.383 -8.597 1.00 1.47 H new ATOM 0 H1' A A 4 2.807 11.023 -6.046 1.00 1.11 H new ATOM 0 H8 A A 4 2.836 10.681 -9.847 1.00 1.12 H new ATOM 0 H61 A A 4 -2.923 12.979 -9.561 1.00 0.94 H new ATOM 0 H62 A A 4 -1.599 12.529 -10.641 1.00 0.94 H new ATOM 0 H2 A A 4 -1.556 12.115 -5.415 1.00 0.83 H new ATOM 32 P C A 5 3.336 5.775 -7.177 1.00 1.05 P ATOM 33 OP1 C A 5 4.239 4.603 -7.115 1.00 1.26 O ATOM 34 OP2 C A 5 2.341 5.883 -8.269 1.00 1.03 O ATOM 35 O5' C A 5 2.558 5.889 -5.770 1.00 0.92 O ATOM 36 C5' C A 5 1.193 5.464 -5.651 1.00 0.74 C ATOM 37 C4' C A 5 0.445 6.264 -4.589 1.00 0.66 C ATOM 38 O4' C A 5 0.530 7.665 -4.900 1.00 0.70 O ATOM 39 C3' C A 5 -1.052 5.992 -4.519 1.00 0.55 C ATOM 40 O3' C A 5 -1.261 4.951 -3.552 1.00 0.58 O ATOM 41 C2' C A 5 -1.574 7.289 -3.927 1.00 0.56 C ATOM 42 O2' C A 5 -1.272 7.371 -2.530 1.00 0.66 O ATOM 43 C1' C A 5 -0.751 8.297 -4.722 1.00 0.63 C ATOM 44 N1 C A 5 -1.330 8.585 -6.056 1.00 0.60 N ATOM 45 C2 C A 5 -2.491 9.347 -6.112 1.00 0.58 C ATOM 46 O2 C A 5 -3.031 9.744 -5.083 1.00 0.60 O ATOM 47 N3 C A 5 -3.022 9.638 -7.329 1.00 0.61 N ATOM 48 C4 C A 5 -2.440 9.198 -8.451 1.00 0.65 C ATOM 49 N4 C A 5 -3.002 9.526 -9.606 1.00 0.72 N ATOM 50 C5 C A 5 -1.251 8.410 -8.404 1.00 0.67 C ATOM 51 C6 C A 5 -0.732 8.129 -7.196 1.00 0.65 C ATOM 0 H5' C A 5 1.162 4.404 -5.398 1.00 0.74 H new ATOM 0 H5'' C A 5 0.691 5.576 -6.612 1.00 0.74 H new ATOM 0 H4' C A 5 0.915 5.970 -3.650 1.00 0.66 H new ATOM 0 H3' C A 5 -1.511 5.706 -5.465 1.00 0.55 H new ATOM 0 H2' C A 5 -2.654 7.423 -3.991 1.00 0.56 H new ATOM 0 HO2' C A 5 -1.154 6.468 -2.167 1.00 0.66 H new ATOM 0 H1' C A 5 -0.709 9.250 -4.194 1.00 0.63 H new ATOM 0 H41 C A 5 -2.588 9.210 -10.483 1.00 0.72 H new ATOM 0 H42 C A 5 -3.849 10.095 -9.618 1.00 0.72 H new ATOM 0 H5 C A 5 -0.784 8.051 -9.309 1.00 0.67 H new ATOM 0 H6 C A 5 0.168 7.536 -7.126 1.00 0.65 H new ATOM 63 P U A 6 -2.332 3.776 -3.824 1.00 0.54 P ATOM 64 OP1 U A 6 -2.038 2.655 -2.904 1.00 0.69 O ATOM 65 OP2 U A 6 -2.400 3.535 -5.283 1.00 0.54 O ATOM 66 O5' U A 6 -3.725 4.452 -3.367 1.00 0.54 O ATOM 67 C5' U A 6 -4.082 4.529 -1.980 1.00 0.58 C ATOM 68 C4' U A 6 -5.322 5.390 -1.760 1.00 0.47 C ATOM 69 O4' U A 6 -5.074 6.720 -2.244 1.00 0.52 O ATOM 70 C3' U A 6 -6.558 4.951 -2.530 1.00 0.39 C ATOM 71 O3' U A 6 -7.281 4.030 -1.703 1.00 0.43 O ATOM 72 C2' U A 6 -7.352 6.242 -2.591 1.00 0.42 C ATOM 73 O2' U A 6 -7.932 6.545 -1.319 1.00 0.50 O ATOM 74 C1' U A 6 -6.236 7.227 -2.930 1.00 0.45 C ATOM 75 N1 U A 6 -5.949 7.283 -4.382 1.00 0.43 N ATOM 76 C2 U A 6 -6.854 7.947 -5.189 1.00 0.44 C ATOM 77 O2 U A 6 -7.879 8.457 -4.754 1.00 0.49 O ATOM 78 N3 U A 6 -6.544 7.998 -6.528 1.00 0.44 N ATOM 79 C4 U A 6 -5.430 7.456 -7.129 1.00 0.45 C ATOM 80 O4 U A 6 -5.267 7.583 -8.336 1.00 0.49 O ATOM 81 C5 U A 6 -4.531 6.775 -6.228 1.00 0.46 C ATOM 82 C6 U A 6 -4.817 6.710 -4.904 1.00 0.45 C ATOM 0 H5' U A 6 -3.248 4.942 -1.413 1.00 0.58 H new ATOM 0 H5'' U A 6 -4.264 3.525 -1.595 1.00 0.58 H new ATOM 0 H4' U A 6 -5.509 5.311 -0.689 1.00 0.47 H new ATOM 0 H3' U A 6 -6.358 4.490 -3.497 1.00 0.39 H new ATOM 0 H2' U A 6 -8.189 6.236 -3.289 1.00 0.42 H new ATOM 0 HO2' U A 6 -8.006 5.724 -0.789 1.00 0.50 H new ATOM 0 H1' U A 6 -6.519 8.237 -2.633 1.00 0.45 H new ATOM 0 H3 U A 6 -7.204 8.485 -7.135 1.00 0.44 H new ATOM 0 H5 U A 6 -3.630 6.317 -6.609 1.00 0.46 H new ATOM 0 H6 U A 6 -4.136 6.194 -4.243 1.00 0.45 H new ATOM 93 P U A 7 -8.022 2.754 -2.347 1.00 0.42 P ATOM 94 OP1 U A 7 -8.064 1.677 -1.335 1.00 0.66 O ATOM 95 OP2 U A 7 -7.420 2.491 -3.680 1.00 0.47 O ATOM 96 O5' U A 7 -9.525 3.291 -2.578 1.00 0.54 O ATOM 97 C5' U A 7 -10.265 2.903 -3.741 1.00 0.45 C ATOM 98 C4' U A 7 -11.387 3.887 -4.059 1.00 0.45 C ATOM 99 O4' U A 7 -10.862 5.228 -4.074 1.00 0.49 O ATOM 100 C3' U A 7 -12.012 3.693 -5.443 1.00 0.41 C ATOM 101 O3' U A 7 -13.270 3.037 -5.252 1.00 0.44 O ATOM 102 C2' U A 7 -12.294 5.115 -5.899 1.00 0.47 C ATOM 103 O2' U A 7 -13.478 5.623 -5.280 1.00 0.57 O ATOM 104 C1' U A 7 -11.055 5.814 -5.366 1.00 0.46 C ATOM 105 N1 U A 7 -9.837 5.568 -6.172 1.00 0.40 N ATOM 106 C2 U A 7 -9.866 5.890 -7.516 1.00 0.42 C ATOM 107 O2 U A 7 -10.859 6.342 -8.076 1.00 0.49 O ATOM 108 N3 U A 7 -8.703 5.653 -8.212 1.00 0.43 N ATOM 109 C4 U A 7 -7.536 5.133 -7.702 1.00 0.43 C ATOM 110 O4 U A 7 -6.574 4.948 -8.439 1.00 0.51 O ATOM 111 C5 U A 7 -7.580 4.823 -6.296 1.00 0.42 C ATOM 112 C6 U A 7 -8.711 5.047 -5.589 1.00 0.41 C ATOM 0 H5' U A 7 -10.687 1.910 -3.588 1.00 0.45 H new ATOM 0 H5'' U A 7 -9.590 2.835 -4.594 1.00 0.45 H new ATOM 0 H4' U A 7 -12.140 3.713 -3.290 1.00 0.45 H new ATOM 0 H3' U A 7 -11.394 3.124 -6.138 1.00 0.41 H new ATOM 0 H2' U A 7 -12.465 5.234 -6.969 1.00 0.47 H new ATOM 0 HO2' U A 7 -13.987 4.882 -4.889 1.00 0.57 H new ATOM 0 H1' U A 7 -11.203 6.894 -5.374 1.00 0.46 H new ATOM 0 H3 U A 7 -8.706 5.886 -9.205 1.00 0.43 H new ATOM 0 H5 U A 7 -6.710 4.412 -5.806 1.00 0.42 H new ATOM 0 H6 U A 7 -8.728 4.809 -4.536 1.00 0.41 H new ATOM 123 P G A 8 -13.338 1.433 -5.165 1.00 0.41 P ATOM 124 OP1 G A 8 -12.883 1.014 -3.824 1.00 0.52 O ATOM 125 OP2 G A 8 -12.671 0.886 -6.376 1.00 0.42 O ATOM 126 O5' G A 8 -14.912 1.128 -5.294 1.00 0.41 O ATOM 127 C5' G A 8 -15.520 0.928 -6.576 1.00 0.42 C ATOM 128 C4' G A 8 -15.815 2.250 -7.277 1.00 0.40 C ATOM 129 O4' G A 8 -14.599 2.906 -7.614 1.00 0.38 O ATOM 130 C3' G A 8 -16.483 2.131 -8.627 1.00 0.44 C ATOM 131 O3' G A 8 -17.892 2.006 -8.401 1.00 0.54 O ATOM 132 C2' G A 8 -16.227 3.508 -9.242 1.00 0.44 C ATOM 133 O2' G A 8 -17.265 4.419 -8.874 1.00 0.54 O ATOM 134 C1' G A 8 -14.889 3.925 -8.589 1.00 0.40 C ATOM 135 N9 G A 8 -13.767 3.989 -9.550 1.00 0.37 N ATOM 136 C8 G A 8 -12.421 3.934 -9.292 1.00 0.38 C ATOM 137 N7 G A 8 -11.678 3.995 -10.360 1.00 0.39 N ATOM 138 C5 G A 8 -12.598 4.102 -11.401 1.00 0.37 C ATOM 139 C6 G A 8 -12.385 4.203 -12.803 1.00 0.39 C ATOM 140 O6 G A 8 -11.325 4.181 -13.414 1.00 0.43 O ATOM 141 N1 G A 8 -13.575 4.293 -13.496 1.00 0.39 N ATOM 142 C2 G A 8 -14.821 4.284 -12.923 1.00 0.40 C ATOM 143 N2 G A 8 -15.861 4.372 -13.739 1.00 0.47 N ATOM 144 N3 G A 8 -15.036 4.188 -11.614 1.00 0.38 N ATOM 145 C4 G A 8 -13.881 4.101 -10.915 1.00 0.36 C ATOM 0 H5' G A 8 -16.446 0.366 -6.455 1.00 0.42 H new ATOM 0 H5'' G A 8 -14.861 0.325 -7.200 1.00 0.42 H new ATOM 0 H4' G A 8 -16.459 2.765 -6.564 1.00 0.40 H new ATOM 0 H3' G A 8 -16.133 1.297 -9.235 1.00 0.44 H new ATOM 0 H2' G A 8 -16.199 3.501 -10.332 1.00 0.44 H new ATOM 0 HO2' G A 8 -18.064 3.916 -8.613 1.00 0.54 H new ATOM 0 H1' G A 8 -14.990 4.925 -8.166 1.00 0.40 H new ATOM 0 H8 G A 8 -12.015 3.848 -8.295 1.00 0.38 H new ATOM 0 H1 G A 8 -13.524 4.372 -14.512 1.00 0.39 H new ATOM 0 H21 G A 8 -16.808 4.369 -13.360 1.00 0.47 H new ATOM 0 H22 G A 8 -15.715 4.442 -14.746 1.00 0.47 H new ATOM 157 P G A 9 -18.621 0.572 -8.530 1.00 0.61 P ATOM 158 OP1 G A 9 -20.047 0.741 -8.169 1.00 0.76 O ATOM 159 OP2 G A 9 -17.792 -0.434 -7.822 1.00 0.62 O ATOM 160 O5' G A 9 -18.529 0.271 -10.110 1.00 0.54 O ATOM 161 C5' G A 9 -17.516 -0.596 -10.638 1.00 0.47 C ATOM 162 C4' G A 9 -17.396 -0.462 -12.152 1.00 0.40 C ATOM 163 O4' G A 9 -16.945 0.864 -12.487 1.00 0.39 O ATOM 164 C3' G A 9 -16.350 -1.359 -12.795 1.00 0.37 C ATOM 165 O3' G A 9 -16.968 -2.613 -13.101 1.00 0.44 O ATOM 166 C2' G A 9 -16.098 -0.617 -14.093 1.00 0.36 C ATOM 167 O2' G A 9 -17.229 -0.710 -14.966 1.00 0.43 O ATOM 168 C1' G A 9 -15.954 0.793 -13.532 1.00 0.35 C ATOM 169 N9 G A 9 -14.626 1.018 -12.933 1.00 0.31 N ATOM 170 C8 G A 9 -14.314 1.199 -11.616 1.00 0.29 C ATOM 171 N7 G A 9 -13.038 1.313 -11.388 1.00 0.29 N ATOM 172 C5 G A 9 -12.462 1.204 -12.649 1.00 0.30 C ATOM 173 C6 G A 9 -11.097 1.255 -13.035 1.00 0.33 C ATOM 174 O6 G A 9 -10.109 1.392 -12.322 1.00 0.36 O ATOM 175 N1 G A 9 -10.948 1.105 -14.399 1.00 0.35 N ATOM 176 C2 G A 9 -11.977 0.930 -15.289 1.00 0.37 C ATOM 177 N2 G A 9 -11.650 0.799 -16.565 1.00 0.43 N ATOM 178 N3 G A 9 -13.262 0.881 -14.942 1.00 0.35 N ATOM 179 C4 G A 9 -13.429 1.026 -13.607 1.00 0.31 C ATOM 0 H5' G A 9 -17.750 -1.629 -10.381 1.00 0.47 H new ATOM 0 H5'' G A 9 -16.558 -0.362 -10.174 1.00 0.47 H new ATOM 0 H4' G A 9 -18.390 -0.724 -12.516 1.00 0.40 H new ATOM 0 H3' G A 9 -15.462 -1.548 -12.192 1.00 0.37 H new ATOM 0 H2' G A 9 -15.260 -0.977 -14.690 1.00 0.36 H new ATOM 0 HO2' G A 9 -17.706 -1.549 -14.796 1.00 0.43 H new ATOM 0 H1' G A 9 -16.077 1.538 -14.318 1.00 0.35 H new ATOM 0 H8 G A 9 -15.058 1.243 -10.835 1.00 0.29 H new ATOM 0 H1 G A 9 -10.000 1.126 -14.774 1.00 0.35 H new ATOM 0 H21 G A 9 -12.378 0.667 -17.267 1.00 0.43 H new ATOM 0 H22 G A 9 -10.670 0.831 -16.846 1.00 0.43 H new ATOM 191 P U A 10 -16.167 -3.989 -12.863 1.00 0.43 P ATOM 192 OP1 U A 10 -17.112 -5.115 -13.015 1.00 0.51 O ATOM 193 OP2 U A 10 -15.375 -3.849 -11.608 1.00 0.41 O ATOM 194 O5' U A 10 -15.138 -4.012 -14.100 1.00 0.45 O ATOM 195 C5' U A 10 -15.622 -4.062 -15.451 1.00 0.48 C ATOM 196 C4' U A 10 -14.526 -3.729 -16.460 1.00 0.45 C ATOM 197 O4' U A 10 -13.997 -2.426 -16.176 1.00 0.41 O ATOM 198 C3' U A 10 -13.309 -4.638 -16.406 1.00 0.46 C ATOM 199 O3' U A 10 -13.541 -5.715 -17.324 1.00 0.58 O ATOM 200 C2' U A 10 -12.227 -3.753 -17.001 1.00 0.44 C ATOM 201 O2' U A 10 -12.363 -3.672 -18.424 1.00 0.53 O ATOM 202 C1' U A 10 -12.567 -2.414 -16.348 1.00 0.39 C ATOM 203 N1 U A 10 -11.930 -2.230 -15.038 1.00 0.33 N ATOM 204 C2 U A 10 -10.549 -2.185 -14.992 1.00 0.34 C ATOM 205 O2 U A 10 -9.846 -2.303 -15.987 1.00 0.40 O ATOM 206 N3 U A 10 -9.997 -1.977 -13.752 1.00 0.32 N ATOM 207 C4 U A 10 -10.690 -1.811 -12.574 1.00 0.29 C ATOM 208 O4 U A 10 -10.082 -1.628 -11.524 1.00 0.31 O ATOM 209 C5 U A 10 -12.128 -1.871 -12.710 1.00 0.29 C ATOM 210 C6 U A 10 -12.688 -2.076 -13.917 1.00 0.32 C ATOM 0 H5' U A 10 -16.448 -3.360 -15.567 1.00 0.48 H new ATOM 0 H5'' U A 10 -16.017 -5.056 -15.659 1.00 0.48 H new ATOM 0 H4' U A 10 -15.015 -3.829 -17.429 1.00 0.45 H new ATOM 0 H3' U A 10 -13.077 -5.036 -15.418 1.00 0.46 H new ATOM 0 H2' U A 10 -11.208 -4.100 -16.828 1.00 0.44 H new ATOM 0 HO2' U A 10 -12.895 -4.430 -18.745 1.00 0.53 H new ATOM 0 H1' U A 10 -12.206 -1.599 -16.975 1.00 0.39 H new ATOM 0 H3 U A 10 -8.979 -1.942 -13.699 1.00 0.32 H new ATOM 0 H5 U A 10 -12.756 -1.751 -11.839 1.00 0.29 H new ATOM 0 H6 U A 10 -13.764 -2.119 -13.998 1.00 0.32 H new ATOM 221 P U A 11 -13.131 -7.224 -16.942 1.00 0.64 P ATOM 222 OP1 U A 11 -13.455 -8.099 -18.091 1.00 0.83 O ATOM 223 OP2 U A 11 -13.681 -7.529 -15.601 1.00 0.71 O ATOM 224 O5' U A 11 -11.528 -7.126 -16.816 1.00 0.58 O ATOM 225 C5' U A 11 -10.713 -6.868 -17.966 1.00 0.56 C ATOM 226 C4' U A 11 -9.272 -6.567 -17.569 1.00 0.45 C ATOM 227 O4' U A 11 -9.246 -5.409 -16.737 1.00 0.42 O ATOM 228 C3' U A 11 -8.615 -7.637 -16.719 1.00 0.42 C ATOM 229 O3' U A 11 -7.974 -8.546 -17.625 1.00 0.50 O ATOM 230 C2' U A 11 -7.521 -6.870 -15.988 1.00 0.38 C ATOM 231 O2' U A 11 -6.337 -6.797 -16.788 1.00 0.48 O ATOM 232 C1' U A 11 -8.144 -5.477 -15.816 1.00 0.35 C ATOM 233 N1 U A 11 -8.658 -5.238 -14.449 1.00 0.29 N ATOM 234 C2 U A 11 -7.732 -5.063 -13.437 1.00 0.29 C ATOM 235 O2 U A 11 -6.520 -5.121 -13.624 1.00 0.34 O ATOM 236 N3 U A 11 -8.243 -4.825 -12.184 1.00 0.29 N ATOM 237 C4 U A 11 -9.577 -4.752 -11.846 1.00 0.29 C ATOM 238 O4 U A 11 -9.900 -4.541 -10.677 1.00 0.34 O ATOM 239 C5 U A 11 -10.489 -4.946 -12.950 1.00 0.30 C ATOM 240 C6 U A 11 -10.007 -5.178 -14.198 1.00 0.30 C ATOM 0 H5' U A 11 -11.123 -6.025 -18.523 1.00 0.56 H new ATOM 0 H5'' U A 11 -10.736 -7.731 -18.632 1.00 0.56 H new ATOM 0 H4' U A 11 -8.743 -6.469 -18.517 1.00 0.45 H new ATOM 0 H3' U A 11 -9.296 -8.172 -16.057 1.00 0.42 H new ATOM 0 H2' U A 11 -7.220 -7.331 -15.047 1.00 0.38 H new ATOM 0 HO2' U A 11 -6.371 -7.483 -17.487 1.00 0.48 H new ATOM 0 H1' U A 11 -7.379 -4.723 -16.001 1.00 0.35 H new ATOM 0 H3 U A 11 -7.569 -4.689 -11.430 1.00 0.29 H new ATOM 0 H5 U A 11 -11.555 -4.906 -12.782 1.00 0.30 H new ATOM 0 H6 U A 11 -10.701 -5.319 -15.013 1.00 0.30 H new ATOM 251 P U A 12 -8.041 -10.141 -17.399 1.00 0.54 P ATOM 252 OP1 U A 12 -7.892 -10.801 -18.715 1.00 0.71 O ATOM 253 OP2 U A 12 -9.219 -10.441 -16.553 1.00 0.63 O ATOM 254 O5' U A 12 -6.709 -10.427 -16.538 1.00 0.51 O ATOM 255 C5' U A 12 -6.794 -10.965 -15.213 1.00 0.41 C ATOM 256 C4' U A 12 -5.470 -10.831 -14.466 1.00 0.35 C ATOM 257 O4' U A 12 -5.121 -9.440 -14.335 1.00 0.30 O ATOM 258 C3' U A 12 -5.497 -11.316 -13.026 1.00 0.37 C ATOM 259 O3' U A 12 -5.191 -12.716 -13.021 1.00 0.48 O ATOM 260 C2' U A 12 -4.320 -10.569 -12.444 1.00 0.34 C ATOM 261 O2' U A 12 -3.078 -11.078 -12.943 1.00 0.38 O ATOM 262 C1' U A 12 -4.610 -9.189 -13.009 1.00 0.28 C ATOM 263 N1 U A 12 -5.640 -8.492 -12.219 1.00 0.25 N ATOM 264 C2 U A 12 -5.263 -7.955 -11.005 1.00 0.27 C ATOM 265 O2 U A 12 -4.109 -7.969 -10.605 1.00 0.31 O ATOM 266 N3 U A 12 -6.264 -7.378 -10.263 1.00 0.28 N ATOM 267 C4 U A 12 -7.586 -7.289 -10.623 1.00 0.29 C ATOM 268 O4 U A 12 -8.381 -6.723 -9.881 1.00 0.34 O ATOM 269 C5 U A 12 -7.904 -7.872 -11.904 1.00 0.28 C ATOM 270 C6 U A 12 -6.934 -8.441 -12.648 1.00 0.26 C ATOM 0 H5' U A 12 -7.079 -12.016 -15.264 1.00 0.41 H new ATOM 0 H5'' U A 12 -7.578 -10.449 -14.660 1.00 0.41 H new ATOM 0 H4' U A 12 -4.779 -11.432 -15.056 1.00 0.35 H new ATOM 0 H3' U A 12 -6.441 -11.163 -12.504 1.00 0.37 H new ATOM 0 H2' U A 12 -4.219 -10.626 -11.360 1.00 0.34 H new ATOM 0 HO2' U A 12 -2.898 -11.953 -12.540 1.00 0.38 H new ATOM 0 H1' U A 12 -3.720 -8.560 -12.998 1.00 0.28 H new ATOM 0 H3 U A 12 -6.001 -6.979 -9.362 1.00 0.28 H new ATOM 0 H5 U A 12 -8.921 -7.853 -12.268 1.00 0.28 H new ATOM 0 H6 U A 12 -7.188 -8.867 -13.607 1.00 0.26 H new ATOM 281 P A A 13 -6.340 -13.810 -12.726 1.00 0.53 P ATOM 282 OP1 A A 13 -6.323 -14.808 -13.819 1.00 0.63 O ATOM 283 OP2 A A 13 -7.594 -13.090 -12.404 1.00 0.63 O ATOM 284 O5' A A 13 -5.805 -14.525 -11.383 1.00 0.57 O ATOM 285 C5' A A 13 -6.688 -14.793 -10.282 1.00 0.61 C ATOM 286 C4' A A 13 -6.201 -14.128 -8.996 1.00 0.56 C ATOM 287 O4' A A 13 -4.867 -14.579 -8.709 1.00 0.59 O ATOM 288 C3' A A 13 -6.073 -12.615 -9.071 1.00 0.49 C ATOM 289 O3' A A 13 -7.308 -12.049 -8.603 1.00 0.50 O ATOM 290 C2' A A 13 -5.016 -12.327 -8.020 1.00 0.49 C ATOM 291 O2' A A 13 -5.570 -12.364 -6.702 1.00 0.55 O ATOM 292 C1' A A 13 -4.056 -13.490 -8.231 1.00 0.53 C ATOM 293 N9 A A 13 -3.017 -13.191 -9.231 1.00 0.49 N ATOM 294 C8 A A 13 -3.127 -13.161 -10.595 1.00 0.50 C ATOM 295 N7 A A 13 -2.013 -12.859 -11.204 1.00 0.51 N ATOM 296 C5 A A 13 -1.108 -12.674 -10.164 1.00 0.50 C ATOM 297 C6 A A 13 0.254 -12.334 -10.136 1.00 0.54 C ATOM 298 N6 A A 13 0.977 -12.093 -11.226 1.00 0.60 N ATOM 299 N1 A A 13 0.850 -12.234 -8.939 1.00 0.58 N ATOM 300 C2 A A 13 0.136 -12.459 -7.843 1.00 0.59 C ATOM 301 N3 A A 13 -1.143 -12.783 -7.734 1.00 0.55 N ATOM 302 C4 A A 13 -1.710 -12.875 -8.957 1.00 0.49 C ATOM 0 H5' A A 13 -6.764 -15.870 -10.129 1.00 0.61 H new ATOM 0 H5'' A A 13 -7.689 -14.434 -10.522 1.00 0.61 H new ATOM 0 H4' A A 13 -6.950 -14.394 -8.250 1.00 0.56 H new ATOM 0 H3' A A 13 -5.843 -12.232 -10.065 1.00 0.49 H new ATOM 0 H2' A A 13 -4.560 -11.341 -8.111 1.00 0.49 H new ATOM 0 HO2' A A 13 -4.867 -12.176 -6.046 1.00 0.55 H new ATOM 0 H1' A A 13 -3.535 -13.714 -7.300 1.00 0.53 H new ATOM 0 H8 A A 13 -4.049 -13.368 -11.118 1.00 0.50 H new ATOM 0 H61 A A 13 1.964 -11.850 -11.140 1.00 0.60 H new ATOM 0 H62 A A 13 0.544 -12.151 -12.148 1.00 0.60 H new ATOM 0 H2 A A 13 0.673 -12.365 -6.911 1.00 0.59 H new ATOM 314 P G A 14 -7.678 -10.510 -8.906 1.00 0.45 P ATOM 315 OP1 G A 14 -9.013 -10.220 -8.323 1.00 0.51 O ATOM 316 OP2 G A 14 -7.435 -10.247 -10.340 1.00 0.47 O ATOM 317 O5' G A 14 -6.578 -9.687 -8.057 1.00 0.41 O ATOM 318 C5' G A 14 -6.529 -9.778 -6.626 1.00 0.46 C ATOM 319 C4' G A 14 -5.173 -9.331 -6.074 1.00 0.44 C ATOM 320 O4' G A 14 -4.135 -10.048 -6.733 1.00 0.43 O ATOM 321 C3' G A 14 -4.817 -7.884 -6.343 1.00 0.42 C ATOM 322 O3' G A 14 -5.308 -7.129 -5.224 1.00 0.48 O ATOM 323 C2' G A 14 -3.289 -7.875 -6.255 1.00 0.44 C ATOM 324 O2' G A 14 -2.862 -7.613 -4.916 1.00 0.52 O ATOM 325 C1' G A 14 -2.906 -9.307 -6.660 1.00 0.42 C ATOM 326 N9 G A 14 -2.237 -9.373 -7.974 1.00 0.39 N ATOM 327 C8 G A 14 -2.760 -9.758 -9.178 1.00 0.38 C ATOM 328 N7 G A 14 -1.904 -9.726 -10.160 1.00 0.40 N ATOM 329 C5 G A 14 -0.729 -9.285 -9.564 1.00 0.43 C ATOM 330 C6 G A 14 0.554 -9.053 -10.134 1.00 0.51 C ATOM 331 O6 G A 14 0.915 -9.205 -11.297 1.00 0.55 O ATOM 332 N1 G A 14 1.457 -8.613 -9.187 1.00 0.58 N ATOM 333 C2 G A 14 1.174 -8.421 -7.859 1.00 0.58 C ATOM 334 N2 G A 14 2.166 -7.999 -7.089 1.00 0.69 N ATOM 335 N3 G A 14 -0.018 -8.634 -7.310 1.00 0.51 N ATOM 336 C4 G A 14 -0.922 -9.065 -8.222 1.00 0.43 C ATOM 0 H5' G A 14 -6.725 -10.806 -6.320 1.00 0.46 H new ATOM 0 H5'' G A 14 -7.318 -9.161 -6.195 1.00 0.46 H new ATOM 0 H4' G A 14 -5.257 -9.502 -5.001 1.00 0.44 H new ATOM 0 H3' G A 14 -5.207 -7.491 -7.282 1.00 0.42 H new ATOM 0 H2' G A 14 -2.831 -7.108 -6.880 1.00 0.44 H new ATOM 0 HO2' G A 14 -1.889 -7.716 -4.857 1.00 0.52 H new ATOM 0 H1' G A 14 -2.204 -9.708 -5.929 1.00 0.42 H new ATOM 0 H8 G A 14 -3.789 -10.061 -9.303 1.00 0.38 H new ATOM 0 H1 G A 14 2.408 -8.416 -9.499 1.00 0.58 H new ATOM 0 H21 G A 14 2.007 -7.841 -6.094 1.00 0.69 H new ATOM 0 H22 G A 14 3.088 -7.832 -7.491 1.00 0.69 H new ATOM 348 P G A 15 -6.369 -5.935 -5.408 1.00 0.45 P ATOM 349 OP1 G A 15 -7.599 -6.289 -4.665 1.00 0.58 O ATOM 350 OP2 G A 15 -6.465 -5.609 -6.856 1.00 0.43 O ATOM 351 O5' G A 15 -5.651 -4.705 -4.649 1.00 0.48 O ATOM 352 C5' G A 15 -5.134 -3.588 -5.381 1.00 0.44 C ATOM 353 C4' G A 15 -3.955 -3.985 -6.268 1.00 0.41 C ATOM 354 O4' G A 15 -3.822 -3.025 -7.328 1.00 0.40 O ATOM 355 C3' G A 15 -2.594 -3.992 -5.580 1.00 0.47 C ATOM 356 O3' G A 15 -1.744 -4.831 -6.374 1.00 0.45 O ATOM 357 C2' G A 15 -2.133 -2.548 -5.753 1.00 0.52 C ATOM 358 O2' G A 15 -0.709 -2.438 -5.686 1.00 0.61 O ATOM 359 C1' G A 15 -2.624 -2.246 -7.164 1.00 0.46 C ATOM 360 N9 G A 15 -2.964 -0.819 -7.332 1.00 0.49 N ATOM 361 C8 G A 15 -2.411 0.103 -8.183 1.00 0.56 C ATOM 362 N7 G A 15 -2.927 1.297 -8.066 1.00 0.57 N ATOM 363 C5 G A 15 -3.886 1.154 -7.068 1.00 0.50 C ATOM 364 C6 G A 15 -4.776 2.111 -6.502 1.00 0.51 C ATOM 365 O6 G A 15 -4.924 3.291 -6.802 1.00 0.56 O ATOM 366 N1 G A 15 -5.574 1.547 -5.524 1.00 0.48 N ATOM 367 C2 G A 15 -5.534 0.235 -5.139 1.00 0.45 C ATOM 368 N2 G A 15 -6.398 -0.142 -4.212 1.00 0.49 N ATOM 369 N3 G A 15 -4.711 -0.670 -5.655 1.00 0.43 N ATOM 370 C4 G A 15 -3.916 -0.140 -6.614 1.00 0.46 C ATOM 0 H5' G A 15 -4.819 -2.812 -4.684 1.00 0.44 H new ATOM 0 H5'' G A 15 -5.925 -3.161 -5.998 1.00 0.44 H new ATOM 0 H4' G A 15 -4.189 -4.999 -6.591 1.00 0.41 H new ATOM 0 H3' G A 15 -2.596 -4.331 -4.544 1.00 0.47 H new ATOM 0 H2' G A 15 -2.507 -1.873 -4.983 1.00 0.52 H new ATOM 0 HO2' G A 15 -0.368 -3.029 -4.982 1.00 0.61 H new ATOM 0 H1' G A 15 -1.850 -2.483 -7.893 1.00 0.46 H new ATOM 0 H8 G A 15 -1.624 -0.135 -8.883 1.00 0.56 H new ATOM 0 H1 G A 15 -6.244 2.156 -5.054 1.00 0.48 H new ATOM 0 H21 G A 15 -6.410 -1.110 -3.889 1.00 0.49 H new ATOM 0 H22 G A 15 -7.052 0.535 -3.819 1.00 0.49 H new ATOM 382 P U A 16 -0.345 -5.410 -5.808 1.00 0.50 P ATOM 383 OP1 U A 16 -0.560 -6.808 -5.382 1.00 0.53 O ATOM 384 OP2 U A 16 0.225 -4.435 -4.850 1.00 0.55 O ATOM 385 O5' U A 16 0.568 -5.414 -7.136 1.00 0.55 O ATOM 386 C5' U A 16 0.308 -4.476 -8.191 1.00 0.47 C ATOM 387 C4' U A 16 0.565 -5.078 -9.568 1.00 0.41 C ATOM 388 O4' U A 16 -0.285 -6.220 -9.766 1.00 0.38 O ATOM 389 C3' U A 16 0.239 -4.162 -10.738 1.00 0.41 C ATOM 390 O3' U A 16 1.439 -3.455 -11.077 1.00 0.50 O ATOM 391 C2' U A 16 -0.039 -5.161 -11.846 1.00 0.39 C ATOM 392 O2' U A 16 1.178 -5.753 -12.313 1.00 0.45 O ATOM 393 C1' U A 16 -0.879 -6.177 -11.078 1.00 0.34 C ATOM 394 N1 U A 16 -2.289 -5.761 -10.938 1.00 0.30 N ATOM 395 C2 U A 16 -3.036 -5.604 -12.093 1.00 0.31 C ATOM 396 O2 U A 16 -2.585 -5.826 -13.210 1.00 0.35 O ATOM 397 N3 U A 16 -4.336 -5.187 -11.919 1.00 0.31 N ATOM 398 C4 U A 16 -4.946 -4.915 -10.714 1.00 0.30 C ATOM 399 O4 U A 16 -6.119 -4.555 -10.689 1.00 0.33 O ATOM 400 C5 U A 16 -4.107 -5.103 -9.556 1.00 0.32 C ATOM 401 C6 U A 16 -2.827 -5.516 -9.704 1.00 0.31 C ATOM 0 H5' U A 16 0.937 -3.596 -8.057 1.00 0.47 H new ATOM 0 H5'' U A 16 -0.727 -4.140 -8.130 1.00 0.47 H new ATOM 0 H4' U A 16 1.632 -5.300 -9.564 1.00 0.41 H new ATOM 0 H3' U A 16 -0.566 -3.451 -10.555 1.00 0.41 H new ATOM 0 H2' U A 16 -0.513 -4.748 -12.736 1.00 0.39 H new ATOM 0 HO2' U A 16 1.936 -5.189 -12.054 1.00 0.45 H new ATOM 0 H1' U A 16 -0.887 -7.133 -11.601 1.00 0.34 H new ATOM 0 H3 U A 16 -4.900 -5.068 -12.760 1.00 0.31 H new ATOM 0 H5 U A 16 -4.501 -4.914 -8.569 1.00 0.32 H new ATOM 0 H6 U A 16 -2.214 -5.656 -8.826 1.00 0.31 H new ATOM 412 P A A 17 1.424 -1.857 -11.297 1.00 0.59 P ATOM 413 OP1 A A 17 2.825 -1.391 -11.411 1.00 0.76 O ATOM 414 OP2 A A 17 0.527 -1.258 -10.281 1.00 0.62 O ATOM 415 O5' A A 17 0.721 -1.706 -12.737 1.00 0.59 O ATOM 416 C5' A A 17 1.224 -2.411 -13.880 1.00 0.56 C ATOM 417 C4' A A 17 0.108 -2.756 -14.860 1.00 0.48 C ATOM 418 O4' A A 17 -0.934 -3.438 -14.163 1.00 0.42 O ATOM 419 C3' A A 17 -0.607 -1.564 -15.465 1.00 0.53 C ATOM 420 O3' A A 17 0.099 -1.193 -16.660 1.00 0.62 O ATOM 421 C2' A A 17 -1.935 -2.164 -15.901 1.00 0.48 C ATOM 422 O2' A A 17 -1.798 -2.808 -17.172 1.00 0.53 O ATOM 423 C1' A A 17 -2.199 -3.198 -14.802 1.00 0.40 C ATOM 424 N9 A A 17 -3.173 -2.740 -13.789 1.00 0.35 N ATOM 425 C8 A A 17 -2.967 -2.462 -12.460 1.00 0.36 C ATOM 426 N7 A A 17 -4.063 -2.157 -11.814 1.00 0.35 N ATOM 427 C5 A A 17 -5.055 -2.240 -12.789 1.00 0.32 C ATOM 428 C6 A A 17 -6.445 -2.035 -12.757 1.00 0.30 C ATOM 429 N6 A A 17 -7.117 -1.722 -11.656 1.00 0.33 N ATOM 430 N1 A A 17 -7.130 -2.194 -13.898 1.00 0.30 N ATOM 431 C2 A A 17 -6.474 -2.540 -14.999 1.00 0.33 C ATOM 432 N3 A A 17 -5.180 -2.764 -15.162 1.00 0.34 N ATOM 433 C4 A A 17 -4.522 -2.592 -13.996 1.00 0.32 C ATOM 0 H5' A A 17 1.720 -3.326 -13.555 1.00 0.56 H new ATOM 0 H5'' A A 17 1.976 -1.802 -14.383 1.00 0.56 H new ATOM 0 H4' A A 17 0.610 -3.327 -15.641 1.00 0.48 H new ATOM 0 H3' A A 17 -0.691 -0.707 -14.797 1.00 0.53 H new ATOM 0 H2' A A 17 -2.734 -1.431 -16.017 1.00 0.48 H new ATOM 0 HO2' A A 17 -1.096 -2.362 -17.691 1.00 0.53 H new ATOM 0 H1' A A 17 -2.629 -4.092 -15.253 1.00 0.40 H new ATOM 0 H8 A A 17 -1.994 -2.492 -11.993 1.00 0.36 H new ATOM 0 H61 A A 17 -8.127 -1.586 -11.696 1.00 0.33 H new ATOM 0 H62 A A 17 -6.623 -1.618 -10.770 1.00 0.33 H new ATOM 0 H2 A A 17 -7.081 -2.655 -15.885 1.00 0.33 H new ATOM 445 P A A 18 1.009 0.135 -16.705 1.00 0.68 P ATOM 446 OP1 A A 18 0.958 0.690 -18.077 1.00 0.79 O ATOM 447 OP2 A A 18 2.318 -0.182 -16.089 1.00 0.89 O ATOM 448 O5' A A 18 0.215 1.130 -15.715 1.00 0.68 O ATOM 449 C5' A A 18 -0.675 2.152 -16.196 1.00 0.70 C ATOM 450 C4' A A 18 -1.585 1.680 -17.335 1.00 0.63 C ATOM 451 O4' A A 18 -2.168 0.409 -17.007 1.00 0.54 O ATOM 452 C3' A A 18 -2.785 2.580 -17.575 1.00 0.65 C ATOM 453 O3' A A 18 -2.427 3.542 -18.577 1.00 0.75 O ATOM 454 C2' A A 18 -3.792 1.632 -18.191 1.00 0.59 C ATOM 455 O2' A A 18 -3.462 1.355 -19.556 1.00 0.66 O ATOM 456 C1' A A 18 -3.574 0.404 -17.318 1.00 0.51 C ATOM 457 N9 A A 18 -4.325 0.456 -16.052 1.00 0.46 N ATOM 458 C8 A A 18 -3.838 0.340 -14.778 1.00 0.45 C ATOM 459 N7 A A 18 -4.754 0.442 -13.857 1.00 0.42 N ATOM 460 C5 A A 18 -5.926 0.633 -14.577 1.00 0.40 C ATOM 461 C6 A A 18 -7.259 0.810 -14.184 1.00 0.38 C ATOM 462 N6 A A 18 -7.647 0.811 -12.915 1.00 0.39 N ATOM 463 N1 A A 18 -8.180 0.973 -15.143 1.00 0.39 N ATOM 464 C2 A A 18 -7.793 0.961 -16.415 1.00 0.44 C ATOM 465 N3 A A 18 -6.576 0.806 -16.914 1.00 0.46 N ATOM 466 C4 A A 18 -5.678 0.644 -15.917 1.00 0.43 C ATOM 0 H5' A A 18 -0.087 3.003 -16.540 1.00 0.70 H new ATOM 0 H5'' A A 18 -1.293 2.504 -15.370 1.00 0.70 H new ATOM 0 H4' A A 18 -0.937 1.663 -18.211 1.00 0.63 H new ATOM 0 H3' A A 18 -3.138 3.096 -16.682 1.00 0.65 H new ATOM 0 H2' A A 18 -4.817 2.001 -18.217 1.00 0.59 H new ATOM 0 HO2' A A 18 -2.843 2.038 -19.888 1.00 0.66 H new ATOM 0 H1' A A 18 -3.914 -0.486 -17.847 1.00 0.51 H new ATOM 0 H8 A A 18 -2.793 0.179 -14.557 1.00 0.45 H new ATOM 0 H61 A A 18 -8.631 0.944 -12.683 1.00 0.39 H new ATOM 0 H62 A A 18 -6.961 0.679 -12.172 1.00 0.39 H new ATOM 0 H2 A A 18 -8.580 1.096 -17.142 1.00 0.44 H new ATOM 478 P U A 19 -1.918 5.010 -18.152 1.00 0.98 P ATOM 479 OP1 U A 19 -2.345 5.969 -19.198 1.00 1.22 O ATOM 480 OP2 U A 19 -0.489 4.915 -17.778 1.00 1.33 O ATOM 481 O5' U A 19 -2.772 5.300 -16.814 1.00 0.86 O ATOM 482 C5' U A 19 -3.947 6.124 -16.834 1.00 0.81 C ATOM 483 C4' U A 19 -5.068 5.522 -17.684 1.00 0.72 C ATOM 484 O4' U A 19 -5.396 4.215 -17.189 1.00 0.63 O ATOM 485 C3' U A 19 -6.376 6.300 -17.628 1.00 0.70 C ATOM 486 O3' U A 19 -6.403 7.150 -18.783 1.00 0.79 O ATOM 487 C2' U A 19 -7.431 5.226 -17.836 1.00 0.65 C ATOM 488 O2' U A 19 -7.578 4.928 -19.229 1.00 0.73 O ATOM 489 C1' U A 19 -6.821 4.042 -17.095 1.00 0.59 C ATOM 490 N1 U A 19 -7.196 3.988 -15.665 1.00 0.51 N ATOM 491 C2 U A 19 -8.538 3.895 -15.346 1.00 0.50 C ATOM 492 O2 U A 19 -9.422 3.839 -16.195 1.00 0.55 O ATOM 493 N3 U A 19 -8.834 3.841 -14.004 1.00 0.47 N ATOM 494 C4 U A 19 -7.927 3.863 -12.967 1.00 0.46 C ATOM 495 O4 U A 19 -8.320 3.790 -11.805 1.00 0.47 O ATOM 496 C5 U A 19 -6.549 3.960 -13.377 1.00 0.48 C ATOM 497 C6 U A 19 -6.236 4.019 -14.695 1.00 0.50 C ATOM 0 H5' U A 19 -3.690 7.109 -17.222 1.00 0.81 H new ATOM 0 H5'' U A 19 -4.305 6.267 -15.814 1.00 0.81 H new ATOM 0 H4' U A 19 -4.682 5.529 -18.703 1.00 0.72 H new ATOM 0 H3' U A 19 -6.512 6.882 -16.716 1.00 0.70 H new ATOM 0 H2' U A 19 -8.425 5.505 -17.486 1.00 0.65 H new ATOM 0 HO2' U A 19 -7.248 5.682 -19.761 1.00 0.73 H new ATOM 0 H1' U A 19 -7.183 3.116 -17.542 1.00 0.59 H new ATOM 0 H3 U A 19 -9.820 3.779 -13.752 1.00 0.47 H new ATOM 0 H5 U A 19 -5.765 3.986 -12.634 1.00 0.48 H new ATOM 0 H6 U A 19 -5.198 4.093 -14.985 1.00 0.50 H new ATOM 508 P G A 20 -6.627 8.740 -18.644 1.00 0.85 P ATOM 509 OP1 G A 20 -6.206 9.377 -19.912 1.00 1.10 O ATOM 510 OP2 G A 20 -6.029 9.182 -17.363 1.00 0.90 O ATOM 511 O5' G A 20 -8.231 8.862 -18.528 1.00 0.80 O ATOM 512 C5' G A 20 -8.840 9.438 -17.367 1.00 0.70 C ATOM 513 C4' G A 20 -10.326 9.104 -17.279 1.00 0.62 C ATOM 514 O4' G A 20 -10.486 7.680 -17.135 1.00 0.58 O ATOM 515 C3' G A 20 -11.030 9.684 -16.057 1.00 0.56 C ATOM 516 O3' G A 20 -11.670 10.903 -16.458 1.00 0.65 O ATOM 517 C2' G A 20 -12.118 8.661 -15.793 1.00 0.56 C ATOM 518 O2' G A 20 -13.167 8.766 -16.761 1.00 0.69 O ATOM 519 C1' G A 20 -11.311 7.393 -15.995 1.00 0.53 C ATOM 520 N9 G A 20 -10.438 7.095 -14.845 1.00 0.46 N ATOM 521 C8 G A 20 -9.097 6.827 -14.847 1.00 0.46 C ATOM 522 N7 G A 20 -8.604 6.607 -13.661 1.00 0.45 N ATOM 523 C5 G A 20 -9.700 6.741 -12.815 1.00 0.44 C ATOM 524 C6 G A 20 -9.783 6.614 -11.406 1.00 0.48 C ATOM 525 O6 G A 20 -8.889 6.335 -10.614 1.00 0.53 O ATOM 526 N1 G A 20 -11.068 6.829 -10.945 1.00 0.50 N ATOM 527 C2 G A 20 -12.146 7.128 -11.737 1.00 0.51 C ATOM 528 N2 G A 20 -13.308 7.311 -11.127 1.00 0.60 N ATOM 529 N3 G A 20 -12.087 7.249 -13.063 1.00 0.49 N ATOM 530 C4 G A 20 -10.831 7.043 -13.531 1.00 0.44 C ATOM 0 H5' G A 20 -8.712 10.520 -17.389 1.00 0.70 H new ATOM 0 H5'' G A 20 -8.333 9.075 -16.473 1.00 0.70 H new ATOM 0 H4' G A 20 -10.758 9.523 -18.188 1.00 0.62 H new ATOM 0 H3' G A 20 -10.373 9.876 -15.208 1.00 0.56 H new ATOM 0 H2' G A 20 -12.623 8.747 -14.831 1.00 0.56 H new ATOM 0 HO2' G A 20 -13.131 9.647 -17.188 1.00 0.69 H new ATOM 0 H1' G A 20 -11.967 6.531 -16.118 1.00 0.53 H new ATOM 0 H8 G A 20 -8.502 6.800 -15.748 1.00 0.46 H new ATOM 0 H1 G A 20 -11.226 6.760 -9.940 1.00 0.50 H new ATOM 0 H21 G A 20 -14.140 7.536 -11.672 1.00 0.60 H new ATOM 0 H22 G A 20 -13.370 7.227 -10.112 1.00 0.60 H new ATOM 542 P A A 21 -11.719 12.166 -15.460 1.00 0.75 P ATOM 543 OP1 A A 21 -12.709 13.135 -15.987 1.00 0.92 O ATOM 544 OP2 A A 21 -10.329 12.602 -15.198 1.00 0.98 O ATOM 545 O5' A A 21 -12.308 11.523 -14.103 1.00 0.76 O ATOM 546 C5' A A 21 -13.701 11.632 -13.773 1.00 0.75 C ATOM 547 C4' A A 21 -13.919 11.606 -12.263 1.00 0.64 C ATOM 548 O4' A A 21 -13.497 10.335 -11.745 1.00 0.64 O ATOM 549 C3' A A 21 -13.096 12.629 -11.491 1.00 0.53 C ATOM 550 O3' A A 21 -13.931 13.782 -11.308 1.00 0.63 O ATOM 551 C2' A A 21 -12.920 11.967 -10.134 1.00 0.53 C ATOM 552 O2' A A 21 -14.086 12.147 -9.325 1.00 0.66 O ATOM 553 C1' A A 21 -12.750 10.502 -10.529 1.00 0.55 C ATOM 554 N9 A A 21 -11.343 10.139 -10.785 1.00 0.49 N ATOM 555 C8 A A 21 -10.677 10.067 -11.984 1.00 0.50 C ATOM 556 N7 A A 21 -9.430 9.700 -11.866 1.00 0.49 N ATOM 557 C5 A A 21 -9.265 9.516 -10.497 1.00 0.46 C ATOM 558 C6 A A 21 -8.168 9.124 -9.713 1.00 0.47 C ATOM 559 N6 A A 21 -6.973 8.827 -10.215 1.00 0.52 N ATOM 560 N1 A A 21 -8.345 9.041 -8.386 1.00 0.47 N ATOM 561 C2 A A 21 -9.537 9.332 -7.875 1.00 0.47 C ATOM 562 N3 A A 21 -10.640 9.709 -8.499 1.00 0.48 N ATOM 563 C4 A A 21 -10.426 9.781 -9.830 1.00 0.46 C ATOM 0 H5' A A 21 -14.251 10.813 -14.236 1.00 0.75 H new ATOM 0 H5'' A A 21 -14.103 12.558 -14.184 1.00 0.75 H new ATOM 0 H4' A A 21 -14.980 11.819 -12.131 1.00 0.64 H new ATOM 0 H3' A A 21 -12.158 12.912 -11.969 1.00 0.53 H new ATOM 0 H2' A A 21 -12.095 12.368 -9.544 1.00 0.53 H new ATOM 0 HO2' A A 21 -14.600 12.912 -9.658 1.00 0.66 H new ATOM 0 H1' A A 21 -13.095 9.864 -9.715 1.00 0.55 H new ATOM 0 H8 A A 21 -11.140 10.292 -12.933 1.00 0.50 H new ATOM 0 H61 A A 21 -6.214 8.548 -9.594 1.00 0.52 H new ATOM 0 H62 A A 21 -6.816 8.878 -11.222 1.00 0.52 H new ATOM 0 H2 A A 21 -9.615 9.249 -6.801 1.00 0.47 H new ATOM 575 P G A 22 -13.321 15.171 -10.769 1.00 0.67 P ATOM 576 OP1 G A 22 -14.392 16.193 -10.809 1.00 0.86 O ATOM 577 OP2 G A 22 -12.041 15.419 -11.471 1.00 0.71 O ATOM 578 O5' G A 22 -12.999 14.842 -9.224 1.00 0.60 O ATOM 579 C5' G A 22 -11.800 15.330 -8.610 1.00 0.57 C ATOM 580 C4' G A 22 -11.580 14.723 -7.228 1.00 0.54 C ATOM 581 O4' G A 22 -11.425 13.299 -7.351 1.00 0.52 O ATOM 582 C3' G A 22 -10.306 15.186 -6.532 1.00 0.53 C ATOM 583 O3' G A 22 -10.672 16.283 -5.679 1.00 0.63 O ATOM 584 C2' G A 22 -9.962 14.001 -5.646 1.00 0.51 C ATOM 585 O2' G A 22 -10.789 13.981 -4.478 1.00 0.61 O ATOM 586 C1' G A 22 -10.299 12.842 -6.582 1.00 0.50 C ATOM 587 N9 G A 22 -9.194 12.524 -7.510 1.00 0.47 N ATOM 588 C8 G A 22 -9.148 12.702 -8.869 1.00 0.49 C ATOM 589 N7 G A 22 -8.019 12.335 -9.407 1.00 0.51 N ATOM 590 C5 G A 22 -7.265 11.881 -8.331 1.00 0.49 C ATOM 591 C6 G A 22 -5.946 11.357 -8.300 1.00 0.54 C ATOM 592 O6 G A 22 -5.170 11.187 -9.232 1.00 0.61 O ATOM 593 N1 G A 22 -5.561 11.018 -7.019 1.00 0.53 N ATOM 594 C2 G A 22 -6.341 11.160 -5.899 1.00 0.50 C ATOM 595 N2 G A 22 -5.816 10.759 -4.749 1.00 0.54 N ATOM 596 N3 G A 22 -7.579 11.651 -5.910 1.00 0.47 N ATOM 597 C4 G A 22 -7.976 11.992 -7.161 1.00 0.46 C ATOM 0 H5' G A 22 -11.851 16.416 -8.526 1.00 0.57 H new ATOM 0 H5'' G A 22 -10.946 15.100 -9.247 1.00 0.57 H new ATOM 0 H4' G A 22 -12.448 15.036 -6.648 1.00 0.54 H new ATOM 0 H3' G A 22 -9.501 15.485 -7.203 1.00 0.53 H new ATOM 0 H2' G A 22 -8.940 13.994 -5.267 1.00 0.51 H new ATOM 0 HO2' G A 22 -11.059 14.896 -4.253 1.00 0.61 H new ATOM 0 H1' G A 22 -10.494 11.938 -6.005 1.00 0.50 H new ATOM 0 H8 G A 22 -9.970 13.108 -9.440 1.00 0.49 H new ATOM 0 H1 G A 22 -4.625 10.632 -6.895 1.00 0.53 H new ATOM 0 H21 G A 22 -6.354 10.842 -3.886 1.00 0.54 H new ATOM 0 H22 G A 22 -4.874 10.367 -4.727 1.00 0.54 H new ATOM 609 P U A 23 -9.552 17.216 -4.994 1.00 0.70 P ATOM 610 OP1 U A 23 -10.132 18.561 -4.784 1.00 0.87 O ATOM 611 OP2 U A 23 -8.290 17.069 -5.757 1.00 0.67 O ATOM 612 O5' U A 23 -9.352 16.524 -3.552 1.00 0.78 O ATOM 613 C5' U A 23 -8.136 16.705 -2.816 1.00 0.82 C ATOM 614 C4' U A 23 -7.609 15.379 -2.277 1.00 0.75 C ATOM 615 O4' U A 23 -7.366 14.490 -3.382 1.00 0.65 O ATOM 616 C3' U A 23 -6.264 15.466 -1.554 1.00 0.79 C ATOM 617 O3' U A 23 -6.097 14.356 -0.665 1.00 0.84 O ATOM 618 C2' U A 23 -5.302 15.363 -2.725 1.00 0.71 C ATOM 619 O2' U A 23 -3.993 14.979 -2.283 1.00 0.76 O ATOM 620 C1' U A 23 -5.961 14.244 -3.516 1.00 0.63 C ATOM 621 N1 U A 23 -5.599 14.262 -4.948 1.00 0.59 N ATOM 622 C2 U A 23 -4.391 13.697 -5.305 1.00 0.66 C ATOM 623 O2 U A 23 -3.616 13.216 -4.486 1.00 0.76 O ATOM 624 N3 U A 23 -4.095 13.711 -6.648 1.00 0.69 N ATOM 625 C4 U A 23 -4.880 14.230 -7.651 1.00 0.66 C ATOM 626 O4 U A 23 -4.498 14.169 -8.815 1.00 0.74 O ATOM 627 C5 U A 23 -6.126 14.807 -7.203 1.00 0.58 C ATOM 628 C6 U A 23 -6.438 14.803 -5.883 1.00 0.56 C ATOM 0 H5' U A 23 -8.309 17.393 -1.988 1.00 0.82 H new ATOM 0 H5'' U A 23 -7.384 17.163 -3.459 1.00 0.82 H new ATOM 0 H4' U A 23 -8.371 15.044 -1.573 1.00 0.75 H new ATOM 0 H3' U A 23 -6.136 16.356 -0.938 1.00 0.79 H new ATOM 0 H2' U A 23 -5.150 16.290 -3.278 1.00 0.71 H new ATOM 0 HO2' U A 23 -3.601 14.354 -2.927 1.00 0.76 H new ATOM 0 HO3' U A 23 -5.166 14.052 -0.692 1.00 0.84 H new ATOM 0 H1' U A 23 -5.642 13.272 -3.140 1.00 0.63 H new ATOM 0 H3 U A 23 -3.206 13.296 -6.928 1.00 0.69 H new ATOM 0 H5 U A 23 -6.809 15.241 -7.918 1.00 0.58 H new ATOM 0 H6 U A 23 -7.373 15.238 -5.562 1.00 0.56 H new TER 640 U A 23 HETATM 641 C1 TOA A 100 -8.940 0.386 -7.636 1.00 0.36 C HETATM 642 C2 TOA A 100 -8.376 1.766 -7.969 1.00 0.41 C HETATM 643 C3 TOA A 100 -7.615 1.682 -9.294 1.00 0.43 C HETATM 644 C4 TOA A 100 -6.533 0.602 -9.222 1.00 0.44 C HETATM 645 C5 TOA A 100 -7.155 -0.723 -8.772 1.00 0.40 C HETATM 646 C6 TOA A 100 -6.145 -1.834 -8.547 1.00 0.45 C HETATM 647 O2 TOA A 100 -9.432 2.714 -8.076 1.00 0.40 O HETATM 648 N3 TOA A 100 -6.976 2.920 -9.837 1.00 0.54 N HETATM 649 O4 TOA A 100 -5.940 0.451 -10.507 1.00 0.47 O HETATM 650 O5 TOA A 100 -7.867 -0.532 -7.533 1.00 0.39 O HETATM 651 O6 TOA A 100 -6.791 -3.083 -8.326 1.00 0.45 O HETATM 0 HN33 TOA A 100 -7.359 3.124 -10.760 1.00 0.54 H new HETATM 0 HN32 TOA A 100 -7.164 3.703 -9.211 1.00 0.54 H new HETATM 0 HN31 TOA A 100 -5.968 2.779 -9.911 1.00 0.54 H new HETATM 0 HO6 TOA A 100 -6.625 -3.676 -9.088 1.00 0.45 H new HETATM 0 HO4 TOA A 100 -5.064 0.021 -10.415 1.00 0.47 H new HETATM 0 HO2 TOA A 100 -9.077 3.617 -7.936 1.00 0.40 H new HETATM 0 H62 TOA A 100 -5.487 -1.911 -9.412 1.00 0.45 H new HETATM 0 H61 TOA A 100 -5.518 -1.590 -7.690 1.00 0.45 H new HETATM 0 H5 TOA A 100 -7.814 -1.026 -9.586 1.00 0.40 H new HETATM 0 H4 TOA A 100 -5.768 0.894 -8.502 1.00 0.44 H new HETATM 0 H3 TOA A 100 -8.423 1.457 -9.991 1.00 0.43 H new HETATM 0 H2 TOA A 100 -7.702 2.087 -7.175 1.00 0.41 H new HETATM 665 C1 TOC A 102 -11.114 -5.023 -6.950 1.00 0.35 C HETATM 666 C2 TOC A 102 -9.793 -5.790 -7.081 1.00 0.35 C HETATM 667 C3 TOC A 102 -10.015 -7.139 -7.760 1.00 0.37 C HETATM 668 C4 TOC A 102 -11.103 -7.897 -7.019 1.00 0.44 C HETATM 669 C5 TOC A 102 -12.376 -7.066 -6.998 1.00 0.44 C HETATM 670 C6 TOC A 102 -13.490 -7.773 -6.249 1.00 0.57 C HETATM 671 N2 TOC A 102 -8.821 -4.987 -7.881 1.00 0.34 N HETATM 672 N6 TOC A 102 -13.704 -9.113 -6.899 1.00 0.69 N HETATM 673 O4 TOC A 102 -11.349 -9.144 -7.653 1.00 0.52 O HETATM 674 O5 TOC A 102 -12.121 -5.818 -6.333 1.00 0.42 O HETATM 0 HN63 TOC A 102 -14.126 -9.754 -6.227 1.00 0.69 H new HETATM 0 HN62 TOC A 102 -14.323 -9.007 -7.702 1.00 0.69 H new HETATM 0 HN61 TOC A 102 -12.808 -9.488 -7.209 1.00 0.69 H new HETATM 0 HN23 TOC A 102 -7.888 -5.084 -7.480 1.00 0.34 H new HETATM 0 HN22 TOC A 102 -8.814 -5.323 -8.844 1.00 0.34 H new HETATM 0 HN21 TOC A 102 -9.097 -4.005 -7.866 1.00 0.34 H new HETATM 0 HO4 TOC A 102 -10.543 -9.433 -8.130 1.00 0.52 H new HETATM 0 H62 TOC A 102 -13.226 -7.896 -5.199 1.00 0.57 H new HETATM 0 H61 TOC A 102 -14.406 -7.183 -6.280 1.00 0.57 H new HETATM 0 H5 TOC A 102 -12.684 -6.908 -8.032 1.00 0.44 H new HETATM 0 H4 TOC A 102 -10.776 -8.083 -5.996 1.00 0.44 H new HETATM 0 H32 TOC A 102 -10.302 -6.993 -8.801 1.00 0.37 H new HETATM 0 H31 TOC A 102 -9.090 -7.716 -7.762 1.00 0.37 H new HETATM 0 H2 TOC A 102 -9.395 -5.962 -6.081 1.00 0.35 H new HETATM 690 C1 2TB A 101 -12.134 -0.421 -9.215 1.00 0.30 C HETATM 691 C2 2TB A 101 -13.320 -1.393 -9.155 1.00 0.29 C HETATM 692 C3 2TB A 101 -12.872 -2.844 -9.304 1.00 0.29 C HETATM 693 C4 2TB A 101 -11.877 -3.150 -8.194 1.00 0.30 C HETATM 694 C5 2TB A 101 -10.626 -2.287 -8.374 1.00 0.30 C HETATM 695 C6 2TB A 101 -10.977 -0.791 -8.274 1.00 0.31 C HETATM 696 N1 2TB A 101 -12.572 0.991 -8.912 1.00 0.34 N HETATM 697 N3 2TB A 101 -14.051 -3.768 -9.270 1.00 0.35 N HETATM 698 O5 2TB A 101 -9.675 -2.638 -7.376 1.00 0.34 O HETATM 699 O4 2TB A 101 -11.516 -4.543 -8.204 1.00 0.31 O HETATM 700 O6 2TB A 101 -9.833 0.008 -8.647 1.00 0.33 O HETATM 0 HN33 2TB A 101 -13.726 -4.734 -9.237 1.00 0.35 H new HETATM 0 HN32 2TB A 101 -14.614 -3.571 -8.443 1.00 0.35 H new HETATM 0 HN31 2TB A 101 -14.617 -3.629 -10.107 1.00 0.35 H new HETATM 0 HN13 2TB A 101 -11.764 1.612 -8.942 1.00 0.34 H new HETATM 0 HN12 2TB A 101 -13.257 1.291 -9.606 1.00 0.34 H new HETATM 0 HN11 2TB A 101 -12.992 1.025 -7.983 1.00 0.34 H new HETATM 0 HO5 2TB A 101 -8.902 -2.038 -7.435 1.00 0.34 H new HETATM 0 H6 2TB A 101 -11.271 -0.595 -7.243 1.00 0.31 H new HETATM 0 H5 2TB A 101 -10.204 -2.467 -9.363 1.00 0.30 H new HETATM 0 H4 2TB A 101 -12.342 -2.922 -7.235 1.00 0.30 H new HETATM 0 H3 2TB A 101 -12.388 -2.995 -10.269 1.00 0.29 H new HETATM 0 H22 2TB A 101 -13.843 -1.270 -8.207 1.00 0.29 H new HETATM 0 H21 2TB A 101 -14.030 -1.149 -9.945 1.00 0.29 H new HETATM 0 H1 2TB A 101 -11.762 -0.495 -10.237 1.00 0.30 H new