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 128:sc= 0.18 USER MOD Set 1.2: A 101 2TB O5 : rot -174:sc= 0.903 USER MOD Set 1.3: A 102 TOC N2 :NH3+ 153:sc= 3.15 (180deg=1.74) USER MOD Set 2.1: A 100 TOA O2 : rot 157:sc= 1.8 USER MOD Set 2.2: A 101 2TB N1 :NH3+ -176:sc= -0.55! (180deg=-0.741!) USER MOD Single : A 4 A O2' : rot -114:sc= 1.22 USER MOD Single : A 4 A O5' : rot 7:sc= 0.125 USER MOD Single : A 5 C O2' : rot -74:sc= 0.786 USER MOD Single : A 6 U O2' : rot -18:sc= 0.232 USER MOD Single : A 7 U O2' : rot -27:sc= 0.258 USER MOD Single : A 8 G O2' : rot -28:sc= 0.43 USER MOD Single : A 9 G O2' : rot -26:sc= 0.166 USER MOD Single : A 10 U O2' : rot -24:sc= 0.328 USER MOD Single : A 11 U O2' : rot 175:sc= 0.583 USER MOD Single : A 12 U O2' : rot -72:sc= 1.25 USER MOD Single : A 13 A O2' : rot 0:sc= -3.08! USER MOD Single : A 14 G O2' : rot -135:sc= 0.989 USER MOD Single : A 15 G O2' : rot -39:sc= 0.43 USER MOD Single : A 16 U O2' : rot -25:sc= 0.233 USER MOD Single : A 17 A O2' : rot -17:sc= 0.337 USER MOD Single : A 18 A O2' : rot -10:sc= -0.0717 USER MOD Single : A 19 U O2' : rot -14:sc= 0.366 USER MOD Single : A 20 G O2' : rot -20:sc= 0.343 USER MOD Single : A 21 A O2' : rot -35:sc= 0.266 USER MOD Single : A 22 G O2' : rot -71:sc= 0.78 USER MOD Single : A 23 U O2' : rot 136:sc= 0.578 USER MOD Single : A 23 U O3' : rot 133:sc= 0.0992 USER MOD Single : A 100 TOA N3 :NH3+ 135:sc= 2.4 (180deg=-0.544!) USER MOD Single : A 100 TOA O4 : rot 150:sc= 0.322 USER MOD Single : A 101 2TB N3 :NH3+ -174:sc= 1.29 (180deg=1.13) USER MOD Single : A 102 TOC N6 :NH3+ 147:sc= 1.05 (180deg=0.369!) USER MOD Single : A 102 TOC O4 : rot 44:sc= 1.89! USER MOD ----------------------------------------------------------------- ATOM 1 O5' A A 4 4.083 2.946 -10.403 1.00 1.26 O ATOM 2 C5' A A 4 3.960 4.367 -10.487 1.00 1.22 C ATOM 3 C4' A A 4 3.396 4.947 -9.195 1.00 1.06 C ATOM 4 O4' A A 4 3.180 6.350 -9.350 1.00 1.08 O ATOM 5 C3' A A 4 2.027 4.426 -8.806 1.00 0.93 C ATOM 6 O3' A A 4 2.233 3.219 -8.051 1.00 0.95 O ATOM 7 C2' A A 4 1.537 5.506 -7.851 1.00 0.86 C ATOM 8 O2' A A 4 2.080 5.317 -6.541 1.00 0.90 O ATOM 9 C1' A A 4 2.103 6.781 -8.497 1.00 0.94 C ATOM 10 N9 A A 4 1.106 7.494 -9.322 1.00 0.90 N ATOM 11 C8 A A 4 0.738 7.254 -10.622 1.00 0.96 C ATOM 12 N7 A A 4 -0.161 8.086 -11.074 1.00 0.93 N ATOM 13 C5 A A 4 -0.403 8.931 -9.995 1.00 0.84 C ATOM 14 C6 A A 4 -1.259 10.034 -9.821 1.00 0.79 C ATOM 15 N6 A A 4 -2.068 10.500 -10.769 1.00 0.82 N ATOM 16 N1 A A 4 -1.254 10.645 -8.627 1.00 0.72 N ATOM 17 C2 A A 4 -0.453 10.188 -7.672 1.00 0.73 C ATOM 18 N3 A A 4 0.392 9.170 -7.709 1.00 0.78 N ATOM 19 C4 A A 4 0.362 8.579 -8.922 1.00 0.83 C ATOM 0 H5' A A 4 3.310 4.630 -11.321 1.00 1.22 H new ATOM 0 H5'' A A 4 4.936 4.808 -10.692 1.00 1.22 H new ATOM 0 H4' A A 4 4.133 4.669 -8.442 1.00 1.06 H new ATOM 0 H3' A A 4 1.353 4.227 -9.639 1.00 0.93 H new ATOM 0 H2' A A 4 0.455 5.518 -7.718 1.00 0.86 H new ATOM 0 HO2' A A 4 1.357 5.103 -5.915 1.00 0.90 H new ATOM 0 HO5' A A 4 3.670 2.630 -9.572 1.00 1.26 H new ATOM 0 H1' A A 4 2.419 7.472 -7.715 1.00 0.94 H new ATOM 0 H8 A A 4 1.153 6.453 -11.215 1.00 0.96 H new ATOM 0 H61 A A 4 -2.665 11.305 -10.579 1.00 0.82 H new ATOM 0 H62 A A 4 -2.091 10.052 -11.685 1.00 0.82 H new ATOM 0 H2 A A 4 -0.497 10.721 -6.734 1.00 0.73 H new ATOM 32 P C A 5 1.009 2.222 -7.710 1.00 0.88 P ATOM 33 OP1 C A 5 1.553 0.851 -7.601 1.00 0.99 O ATOM 34 OP2 C A 5 -0.097 2.508 -8.653 1.00 0.85 O ATOM 35 O5' C A 5 0.562 2.706 -6.237 1.00 0.85 O ATOM 36 C5' C A 5 -0.817 2.939 -5.920 1.00 0.75 C ATOM 37 C4' C A 5 -0.973 4.095 -4.936 1.00 0.68 C ATOM 38 O4' C A 5 -0.374 5.278 -5.494 1.00 0.66 O ATOM 39 C3' C A 5 -2.410 4.510 -4.647 1.00 0.60 C ATOM 40 O3' C A 5 -2.852 3.765 -3.501 1.00 0.65 O ATOM 41 C2' C A 5 -2.230 5.960 -4.228 1.00 0.57 C ATOM 42 O2' C A 5 -1.682 6.048 -2.910 1.00 0.63 O ATOM 43 C1' C A 5 -1.223 6.420 -5.275 1.00 0.60 C ATOM 44 N1 C A 5 -1.867 6.796 -6.558 1.00 0.56 N ATOM 45 C2 C A 5 -2.462 8.047 -6.643 1.00 0.53 C ATOM 46 O2 C A 5 -2.475 8.801 -5.674 1.00 0.55 O ATOM 47 N3 C A 5 -3.050 8.411 -7.813 1.00 0.53 N ATOM 48 C4 C A 5 -3.056 7.581 -8.861 1.00 0.55 C ATOM 49 N4 C A 5 -3.643 8.001 -9.976 1.00 0.59 N ATOM 50 C5 C A 5 -2.450 6.293 -8.784 1.00 0.59 C ATOM 51 C6 C A 5 -1.870 5.942 -7.624 1.00 0.59 C ATOM 0 H5' C A 5 -1.252 2.035 -5.494 1.00 0.75 H new ATOM 0 H5'' C A 5 -1.370 3.159 -6.833 1.00 0.75 H new ATOM 0 H4' C A 5 -0.511 3.728 -4.019 1.00 0.68 H new ATOM 0 H3' C A 5 -3.111 4.359 -5.468 1.00 0.60 H new ATOM 0 H2' C A 5 -3.148 6.546 -4.187 1.00 0.57 H new ATOM 0 HO2' C A 5 -2.373 5.823 -2.253 1.00 0.63 H new ATOM 0 H1' C A 5 -0.691 7.306 -4.928 1.00 0.60 H new ATOM 0 H41 C A 5 -3.669 7.397 -10.798 1.00 0.59 H new ATOM 0 H42 C A 5 -4.068 8.927 -10.011 1.00 0.59 H new ATOM 0 H5 C A 5 -2.457 5.622 -9.630 1.00 0.59 H new ATOM 0 H6 C A 5 -1.401 4.973 -7.533 1.00 0.59 H new ATOM 63 P U A 6 -4.338 3.952 -2.905 1.00 0.57 P ATOM 64 OP1 U A 6 -4.587 2.869 -1.929 1.00 0.68 O ATOM 65 OP2 U A 6 -5.276 4.151 -4.037 1.00 0.62 O ATOM 66 O5' U A 6 -4.220 5.346 -2.104 1.00 0.53 O ATOM 67 C5' U A 6 -4.861 5.526 -0.834 1.00 0.50 C ATOM 68 C4' U A 6 -6.237 6.178 -0.974 1.00 0.41 C ATOM 69 O4' U A 6 -6.109 7.441 -1.645 1.00 0.38 O ATOM 70 C3' U A 6 -7.232 5.425 -1.841 1.00 0.38 C ATOM 71 O3' U A 6 -7.894 4.462 -1.011 1.00 0.46 O ATOM 72 C2' U A 6 -8.222 6.527 -2.167 1.00 0.33 C ATOM 73 O2' U A 6 -9.027 6.844 -1.028 1.00 0.40 O ATOM 74 C1' U A 6 -7.256 7.668 -2.493 1.00 0.32 C ATOM 75 N1 U A 6 -6.821 7.649 -3.908 1.00 0.28 N ATOM 76 C2 U A 6 -7.629 8.278 -4.837 1.00 0.29 C ATOM 77 O2 U A 6 -8.672 8.845 -4.533 1.00 0.34 O ATOM 78 N3 U A 6 -7.201 8.223 -6.143 1.00 0.32 N ATOM 79 C4 U A 6 -6.060 7.607 -6.600 1.00 0.34 C ATOM 80 O4 U A 6 -5.795 7.627 -7.795 1.00 0.40 O ATOM 81 C5 U A 6 -5.267 6.972 -5.580 1.00 0.35 C ATOM 82 C6 U A 6 -5.666 7.014 -4.286 1.00 0.32 C ATOM 0 H5' U A 6 -4.231 6.144 -0.194 1.00 0.50 H new ATOM 0 H5'' U A 6 -4.966 4.560 -0.341 1.00 0.50 H new ATOM 0 H4' U A 6 -6.600 6.224 0.053 1.00 0.41 H new ATOM 0 H3' U A 6 -6.807 4.916 -2.706 1.00 0.38 H new ATOM 0 H2' U A 6 -8.935 6.289 -2.956 1.00 0.33 H new ATOM 0 HO2' U A 6 -8.985 6.108 -0.383 1.00 0.40 H new ATOM 0 H1' U A 6 -7.737 8.632 -2.329 1.00 0.32 H new ATOM 0 H3 U A 6 -7.787 8.684 -6.840 1.00 0.32 H new ATOM 0 H5 U A 6 -4.353 6.462 -5.847 1.00 0.35 H new ATOM 0 H6 U A 6 -5.058 6.535 -3.533 1.00 0.32 H new ATOM 93 P U A 7 -8.581 3.153 -1.652 1.00 0.45 P ATOM 94 OP1 U A 7 -8.832 2.180 -0.568 1.00 0.60 O ATOM 95 OP2 U A 7 -7.790 2.746 -2.842 1.00 0.44 O ATOM 96 O5' U A 7 -10.002 3.716 -2.166 1.00 0.45 O ATOM 97 C5' U A 7 -10.609 3.198 -3.354 1.00 0.39 C ATOM 98 C4' U A 7 -11.767 4.073 -3.829 1.00 0.36 C ATOM 99 O4' U A 7 -11.316 5.435 -3.960 1.00 0.40 O ATOM 100 C3' U A 7 -12.304 3.711 -5.214 1.00 0.34 C ATOM 101 O3' U A 7 -13.485 2.925 -5.026 1.00 0.35 O ATOM 102 C2' U A 7 -12.729 5.058 -5.771 1.00 0.37 C ATOM 103 O2' U A 7 -13.962 5.486 -5.187 1.00 0.43 O ATOM 104 C1' U A 7 -11.568 5.913 -5.289 1.00 0.37 C ATOM 105 N1 U A 7 -10.338 5.734 -6.090 1.00 0.34 N ATOM 106 C2 U A 7 -10.392 6.031 -7.439 1.00 0.32 C ATOM 107 O2 U A 7 -11.414 6.414 -8.001 1.00 0.38 O ATOM 108 N3 U A 7 -9.220 5.856 -8.138 1.00 0.31 N ATOM 109 C4 U A 7 -8.021 5.417 -7.624 1.00 0.33 C ATOM 110 O4 U A 7 -7.051 5.280 -8.361 1.00 0.36 O ATOM 111 C5 U A 7 -8.042 5.129 -6.211 1.00 0.36 C ATOM 112 C6 U A 7 -9.181 5.294 -5.504 1.00 0.36 C ATOM 0 H5' U A 7 -10.971 2.187 -3.166 1.00 0.39 H new ATOM 0 H5'' U A 7 -9.860 3.127 -4.143 1.00 0.39 H new ATOM 0 H4' U A 7 -12.549 3.926 -3.084 1.00 0.36 H new ATOM 0 H3' U A 7 -11.596 3.171 -5.843 1.00 0.34 H new ATOM 0 H2' U A 7 -12.907 5.083 -6.846 1.00 0.37 H new ATOM 0 HO2' U A 7 -14.484 4.703 -4.914 1.00 0.43 H new ATOM 0 H1' U A 7 -11.822 6.971 -5.359 1.00 0.37 H new ATOM 0 H3 U A 7 -9.242 6.073 -9.134 1.00 0.31 H new ATOM 0 H5 U A 7 -7.146 4.781 -5.718 1.00 0.36 H new ATOM 0 H6 U A 7 -9.179 5.073 -4.447 1.00 0.36 H new ATOM 123 P G A 8 -13.402 1.321 -5.075 1.00 0.32 P ATOM 124 OP1 G A 8 -12.853 0.841 -3.791 1.00 0.39 O ATOM 125 OP2 G A 8 -12.741 0.941 -6.349 1.00 0.34 O ATOM 126 O5' G A 8 -14.947 0.878 -5.172 1.00 0.33 O ATOM 127 C5' G A 8 -15.558 0.623 -6.442 1.00 0.33 C ATOM 128 C4' G A 8 -16.015 1.910 -7.123 1.00 0.32 C ATOM 129 O4' G A 8 -14.888 2.705 -7.471 1.00 0.34 O ATOM 130 C3' G A 8 -16.687 1.726 -8.464 1.00 0.32 C ATOM 131 O3' G A 8 -18.068 1.432 -8.220 1.00 0.33 O ATOM 132 C2' G A 8 -16.607 3.131 -9.063 1.00 0.33 C ATOM 133 O2' G A 8 -17.729 3.915 -8.647 1.00 0.36 O ATOM 134 C1' G A 8 -15.303 3.683 -8.444 1.00 0.32 C ATOM 135 N9 G A 8 -14.219 3.852 -9.435 1.00 0.31 N ATOM 136 C8 G A 8 -12.866 3.895 -9.220 1.00 0.33 C ATOM 137 N7 G A 8 -12.166 4.028 -10.311 1.00 0.34 N ATOM 138 C5 G A 8 -13.125 4.082 -11.319 1.00 0.31 C ATOM 139 C6 G A 8 -12.968 4.221 -12.726 1.00 0.33 C ATOM 140 O6 G A 8 -11.932 4.289 -13.371 1.00 0.37 O ATOM 141 N1 G A 8 -14.185 4.233 -13.379 1.00 0.36 N ATOM 142 C2 G A 8 -15.405 4.122 -12.765 1.00 0.40 C ATOM 143 N2 G A 8 -16.476 4.145 -13.545 1.00 0.50 N ATOM 144 N3 G A 8 -15.569 3.989 -11.451 1.00 0.38 N ATOM 145 C4 G A 8 -14.387 3.978 -10.793 1.00 0.32 C ATOM 0 H5' G A 8 -16.413 -0.039 -6.307 1.00 0.33 H new ATOM 0 H5'' G A 8 -14.850 0.103 -7.087 1.00 0.33 H new ATOM 0 H4' G A 8 -16.702 2.341 -6.395 1.00 0.32 H new ATOM 0 H3' G A 8 -16.251 0.945 -9.087 1.00 0.32 H new ATOM 0 H2' G A 8 -16.614 3.145 -10.153 1.00 0.33 H new ATOM 0 HO2' G A 8 -18.492 3.326 -8.470 1.00 0.36 H new ATOM 0 H1' G A 8 -15.493 4.669 -8.021 1.00 0.32 H new ATOM 0 H8 G A 8 -12.422 3.825 -8.238 1.00 0.33 H new ATOM 0 H1 G A 8 -14.175 4.332 -14.394 1.00 0.36 H new ATOM 0 H21 G A 8 -17.407 4.066 -13.136 1.00 0.50 H new ATOM 0 H22 G A 8 -16.369 4.242 -14.555 1.00 0.50 H new ATOM 157 P G A 9 -18.638 -0.064 -8.421 1.00 0.36 P ATOM 158 OP1 G A 9 -20.062 -0.078 -8.019 1.00 0.45 O ATOM 159 OP2 G A 9 -17.682 -1.010 -7.794 1.00 0.42 O ATOM 160 O5' G A 9 -18.558 -0.260 -10.019 1.00 0.35 O ATOM 161 C5' G A 9 -17.491 -1.010 -10.615 1.00 0.32 C ATOM 162 C4' G A 9 -17.454 -0.833 -12.130 1.00 0.29 C ATOM 163 O4' G A 9 -17.162 0.542 -12.450 1.00 0.32 O ATOM 164 C3' G A 9 -16.348 -1.602 -12.836 1.00 0.28 C ATOM 165 O3' G A 9 -16.853 -2.896 -13.180 1.00 0.30 O ATOM 166 C2' G A 9 -16.196 -0.794 -14.109 1.00 0.31 C ATOM 167 O2' G A 9 -17.332 -0.960 -14.964 1.00 0.37 O ATOM 168 C1' G A 9 -16.171 0.599 -13.494 1.00 0.32 C ATOM 169 N9 G A 9 -14.869 0.908 -12.881 1.00 0.28 N ATOM 170 C8 G A 9 -14.585 1.099 -11.560 1.00 0.26 C ATOM 171 N7 G A 9 -13.321 1.286 -11.316 1.00 0.26 N ATOM 172 C5 G A 9 -12.724 1.219 -12.569 1.00 0.28 C ATOM 173 C6 G A 9 -11.360 1.350 -12.936 1.00 0.31 C ATOM 174 O6 G A 9 -10.391 1.539 -12.207 1.00 0.33 O ATOM 175 N1 G A 9 -11.184 1.217 -14.298 1.00 0.35 N ATOM 176 C2 G A 9 -12.190 0.988 -15.203 1.00 0.37 C ATOM 177 N2 G A 9 -11.841 0.886 -16.477 1.00 0.43 N ATOM 178 N3 G A 9 -13.474 0.862 -14.874 1.00 0.35 N ATOM 179 C4 G A 9 -13.666 0.989 -13.540 1.00 0.30 C ATOM 0 H5' G A 9 -17.611 -2.066 -10.375 1.00 0.32 H new ATOM 0 H5'' G A 9 -16.540 -0.692 -10.188 1.00 0.32 H new ATOM 0 H4' G A 9 -18.429 -1.191 -12.460 1.00 0.29 H new ATOM 0 H3' G A 9 -15.431 -1.728 -12.260 1.00 0.28 H new ATOM 0 H2' G A 9 -15.343 -1.052 -14.737 1.00 0.31 H new ATOM 0 HO2' G A 9 -17.753 -1.826 -14.784 1.00 0.37 H new ATOM 0 H1' G A 9 -16.356 1.362 -14.250 1.00 0.32 H new ATOM 0 H8 G A 9 -15.340 1.095 -10.788 1.00 0.26 H new ATOM 0 H1 G A 9 -10.234 1.295 -14.660 1.00 0.35 H new ATOM 0 H21 G A 9 -12.552 0.716 -17.188 1.00 0.43 H new ATOM 0 H22 G A 9 -10.861 0.978 -16.746 1.00 0.43 H new ATOM 191 P U A 10 -15.906 -4.189 -13.048 1.00 0.27 P ATOM 192 OP1 U A 10 -16.715 -5.396 -13.317 1.00 0.34 O ATOM 193 OP2 U A 10 -15.149 -4.072 -11.770 1.00 0.25 O ATOM 194 O5' U A 10 -14.868 -3.985 -14.262 1.00 0.30 O ATOM 195 C5' U A 10 -15.323 -3.993 -15.624 1.00 0.35 C ATOM 196 C4' U A 10 -14.190 -3.697 -16.603 1.00 0.35 C ATOM 197 O4' U A 10 -13.658 -2.392 -16.334 1.00 0.34 O ATOM 198 C3' U A 10 -12.992 -4.626 -16.487 1.00 0.33 C ATOM 199 O3' U A 10 -13.193 -5.685 -17.434 1.00 0.41 O ATOM 200 C2' U A 10 -11.851 -3.763 -17.000 1.00 0.33 C ATOM 201 O2' U A 10 -11.854 -3.713 -18.430 1.00 0.42 O ATOM 202 C1' U A 10 -12.221 -2.405 -16.402 1.00 0.32 C ATOM 203 N1 U A 10 -11.681 -2.201 -15.054 1.00 0.26 N ATOM 204 C2 U A 10 -10.307 -2.191 -14.909 1.00 0.26 C ATOM 205 O2 U A 10 -9.538 -2.360 -15.847 1.00 0.31 O ATOM 206 N3 U A 10 -9.840 -1.966 -13.640 1.00 0.24 N ATOM 207 C4 U A 10 -10.610 -1.751 -12.521 1.00 0.22 C ATOM 208 O4 U A 10 -10.071 -1.555 -11.437 1.00 0.24 O ATOM 209 C5 U A 10 -12.037 -1.777 -12.756 1.00 0.22 C ATOM 210 C6 U A 10 -12.514 -1.997 -13.994 1.00 0.24 C ATOM 0 H5' U A 10 -16.113 -3.252 -15.748 1.00 0.35 H new ATOM 0 H5'' U A 10 -15.759 -4.965 -15.856 1.00 0.35 H new ATOM 0 H4' U A 10 -14.643 -3.811 -17.588 1.00 0.35 H new ATOM 0 H3' U A 10 -12.827 -5.035 -15.490 1.00 0.33 H new ATOM 0 H2' U A 10 -10.857 -4.118 -16.729 1.00 0.33 H new ATOM 0 HO2' U A 10 -12.312 -4.504 -18.784 1.00 0.42 H new ATOM 0 H1' U A 10 -11.804 -1.610 -17.020 1.00 0.32 H new ATOM 0 H3 U A 10 -8.828 -1.957 -13.514 1.00 0.24 H new ATOM 0 H5 U A 10 -12.721 -1.619 -11.935 1.00 0.22 H new ATOM 0 H6 U A 10 -13.582 -2.012 -14.152 1.00 0.24 H new ATOM 221 P U A 11 -12.434 -7.096 -17.270 1.00 0.46 P ATOM 222 OP1 U A 11 -13.311 -8.155 -17.818 1.00 0.62 O ATOM 223 OP2 U A 11 -11.939 -7.197 -15.877 1.00 0.44 O ATOM 224 O5' U A 11 -11.165 -6.935 -18.253 1.00 0.49 O ATOM 225 C5' U A 11 -9.998 -7.745 -18.062 1.00 0.50 C ATOM 226 C4' U A 11 -8.816 -6.927 -17.553 1.00 0.40 C ATOM 227 O4' U A 11 -9.239 -6.091 -16.490 1.00 0.35 O ATOM 228 C3' U A 11 -7.695 -7.755 -16.935 1.00 0.39 C ATOM 229 O3' U A 11 -6.654 -7.844 -17.917 1.00 0.52 O ATOM 230 C2' U A 11 -7.162 -6.899 -15.768 1.00 0.28 C ATOM 231 O2' U A 11 -5.809 -6.504 -16.013 1.00 0.40 O ATOM 232 C1' U A 11 -8.090 -5.677 -15.761 1.00 0.28 C ATOM 233 N1 U A 11 -8.520 -5.288 -14.398 1.00 0.24 N ATOM 234 C2 U A 11 -7.542 -5.059 -13.444 1.00 0.24 C ATOM 235 O2 U A 11 -6.342 -5.145 -13.680 1.00 0.28 O ATOM 236 N3 U A 11 -7.992 -4.724 -12.188 1.00 0.24 N ATOM 237 C4 U A 11 -9.306 -4.600 -11.798 1.00 0.24 C ATOM 238 O4 U A 11 -9.573 -4.308 -10.632 1.00 0.27 O ATOM 239 C5 U A 11 -10.270 -4.851 -12.843 1.00 0.24 C ATOM 240 C6 U A 11 -9.851 -5.179 -14.090 1.00 0.24 C ATOM 0 H5' U A 11 -9.730 -8.223 -19.004 1.00 0.50 H new ATOM 0 H5'' U A 11 -10.221 -8.542 -17.352 1.00 0.50 H new ATOM 0 H4' U A 11 -8.453 -6.401 -18.436 1.00 0.40 H new ATOM 0 H3' U A 11 -8.017 -8.746 -16.616 1.00 0.39 H new ATOM 0 H2' U A 11 -7.157 -7.432 -14.817 1.00 0.28 H new ATOM 0 HO2' U A 11 -5.511 -5.898 -15.303 1.00 0.40 H new ATOM 0 H1' U A 11 -7.574 -4.814 -16.183 1.00 0.28 H new ATOM 0 H3 U A 11 -7.282 -4.551 -11.476 1.00 0.24 H new ATOM 0 H5 U A 11 -11.326 -4.777 -12.631 1.00 0.24 H new ATOM 0 H6 U A 11 -10.586 -5.359 -14.861 1.00 0.24 H new ATOM 251 P U A 12 -5.789 -9.195 -18.087 1.00 0.67 P ATOM 252 OP1 U A 12 -4.857 -9.005 -19.222 1.00 0.87 O ATOM 253 OP2 U A 12 -6.721 -10.346 -18.085 1.00 0.79 O ATOM 254 O5' U A 12 -4.924 -9.238 -16.726 1.00 0.60 O ATOM 255 C5' U A 12 -5.332 -10.047 -15.614 1.00 0.51 C ATOM 256 C4' U A 12 -4.278 -10.049 -14.509 1.00 0.38 C ATOM 257 O4' U A 12 -4.105 -8.713 -14.011 1.00 0.30 O ATOM 258 C3' U A 12 -4.635 -10.841 -13.259 1.00 0.42 C ATOM 259 O3' U A 12 -4.229 -12.201 -13.467 1.00 0.57 O ATOM 260 C2' U A 12 -3.706 -10.213 -12.245 1.00 0.37 C ATOM 261 O2' U A 12 -2.346 -10.589 -12.477 1.00 0.39 O ATOM 262 C1' U A 12 -3.922 -8.744 -12.582 1.00 0.28 C ATOM 263 N1 U A 12 -5.125 -8.192 -11.934 1.00 0.28 N ATOM 264 C2 U A 12 -4.986 -7.661 -10.669 1.00 0.33 C ATOM 265 O2 U A 12 -3.914 -7.617 -10.085 1.00 0.39 O ATOM 266 N3 U A 12 -6.128 -7.162 -10.093 1.00 0.36 N ATOM 267 C4 U A 12 -7.380 -7.147 -10.660 1.00 0.34 C ATOM 268 O4 U A 12 -8.317 -6.652 -10.045 1.00 0.37 O ATOM 269 C5 U A 12 -7.451 -7.722 -11.981 1.00 0.30 C ATOM 270 C6 U A 12 -6.338 -8.216 -12.565 1.00 0.28 C ATOM 0 H5' U A 12 -5.510 -11.068 -15.951 1.00 0.51 H new ATOM 0 H5'' U A 12 -6.276 -9.673 -15.218 1.00 0.51 H new ATOM 0 H4' U A 12 -3.407 -10.494 -14.990 1.00 0.38 H new ATOM 0 H3' U A 12 -5.690 -10.829 -12.984 1.00 0.42 H new ATOM 0 H2' U A 12 -3.897 -10.494 -11.209 1.00 0.37 H new ATOM 0 HO2' U A 12 -2.219 -11.527 -12.225 1.00 0.39 H new ATOM 0 H1' U A 12 -3.079 -8.146 -12.234 1.00 0.28 H new ATOM 0 H3 U A 12 -6.039 -6.766 -9.157 1.00 0.36 H new ATOM 0 H5 U A 12 -8.395 -7.758 -12.504 1.00 0.30 H new ATOM 0 H6 U A 12 -6.408 -8.641 -13.556 1.00 0.28 H new ATOM 281 P A A 13 -5.265 -13.417 -13.240 1.00 0.56 P ATOM 282 OP1 A A 13 -4.935 -14.493 -14.203 1.00 0.84 O ATOM 283 OP2 A A 13 -6.636 -12.857 -13.201 1.00 1.20 O ATOM 284 O5' A A 13 -4.883 -13.930 -11.761 1.00 0.93 O ATOM 285 C5' A A 13 -5.895 -14.320 -10.820 1.00 0.75 C ATOM 286 C4' A A 13 -5.586 -13.788 -9.423 1.00 0.61 C ATOM 287 O4' A A 13 -4.268 -14.215 -9.051 1.00 0.71 O ATOM 288 C3' A A 13 -5.543 -12.270 -9.327 1.00 0.45 C ATOM 289 O3' A A 13 -6.817 -11.834 -8.824 1.00 0.43 O ATOM 290 C2' A A 13 -4.522 -12.011 -8.232 1.00 0.49 C ATOM 291 O2' A A 13 -5.120 -12.089 -6.936 1.00 0.58 O ATOM 292 C1' A A 13 -3.533 -13.148 -8.431 1.00 0.61 C ATOM 293 N9 A A 13 -2.399 -12.776 -9.294 1.00 0.49 N ATOM 294 C8 A A 13 -2.340 -12.736 -10.659 1.00 0.40 C ATOM 295 N7 A A 13 -1.175 -12.376 -11.123 1.00 0.40 N ATOM 296 C5 A A 13 -0.414 -12.162 -9.979 1.00 0.50 C ATOM 297 C6 A A 13 0.917 -11.760 -9.781 1.00 0.64 C ATOM 298 N6 A A 13 1.757 -11.478 -10.772 1.00 0.69 N ATOM 299 N1 A A 13 1.354 -11.645 -8.519 1.00 0.82 N ATOM 300 C2 A A 13 0.521 -11.913 -7.521 1.00 0.86 C ATOM 301 N3 A A 13 -0.745 -12.298 -7.574 1.00 0.76 N ATOM 302 C4 A A 13 -1.151 -12.402 -8.857 1.00 0.57 C ATOM 0 H5' A A 13 -5.967 -15.407 -10.790 1.00 0.75 H new ATOM 0 H5'' A A 13 -6.864 -13.945 -11.148 1.00 0.75 H new ATOM 0 H4' A A 13 -6.386 -14.166 -8.786 1.00 0.61 H new ATOM 0 H3' A A 13 -5.315 -11.778 -10.273 1.00 0.45 H new ATOM 0 H2' A A 13 -4.074 -11.019 -8.288 1.00 0.49 H new ATOM 0 HO2' A A 13 -6.073 -12.299 -7.027 1.00 0.58 H new ATOM 0 H1' A A 13 -3.107 -13.428 -7.468 1.00 0.61 H new ATOM 0 H8 A A 13 -3.179 -12.980 -11.294 1.00 0.40 H new ATOM 0 H61 A A 13 2.713 -11.191 -10.564 1.00 0.69 H new ATOM 0 H62 A A 13 1.445 -11.549 -11.741 1.00 0.69 H new ATOM 0 H2 A A 13 0.932 -11.802 -6.529 1.00 0.86 H new ATOM 314 P G A 14 -7.291 -10.305 -9.001 1.00 0.44 P ATOM 315 OP1 G A 14 -8.617 -10.135 -8.356 1.00 0.50 O ATOM 316 OP2 G A 14 -7.118 -9.937 -10.421 1.00 0.54 O ATOM 317 O5' G A 14 -6.208 -9.475 -8.135 1.00 0.42 O ATOM 318 C5' G A 14 -6.175 -9.583 -6.704 1.00 0.46 C ATOM 319 C4' G A 14 -4.854 -9.082 -6.118 1.00 0.46 C ATOM 320 O4' G A 14 -3.764 -9.723 -6.771 1.00 0.47 O ATOM 321 C3' G A 14 -4.559 -7.614 -6.348 1.00 0.44 C ATOM 322 O3' G A 14 -5.145 -6.900 -5.248 1.00 0.46 O ATOM 323 C2' G A 14 -3.043 -7.536 -6.175 1.00 0.48 C ATOM 324 O2' G A 14 -2.707 -7.290 -4.806 1.00 0.57 O ATOM 325 C1' G A 14 -2.572 -8.939 -6.589 1.00 0.49 C ATOM 326 N9 G A 14 -1.805 -8.935 -7.851 1.00 0.46 N ATOM 327 C8 G A 14 -2.207 -9.332 -9.096 1.00 0.43 C ATOM 328 N7 G A 14 -1.282 -9.229 -10.008 1.00 0.42 N ATOM 329 C5 G A 14 -0.187 -8.724 -9.316 1.00 0.45 C ATOM 330 C6 G A 14 1.118 -8.399 -9.779 1.00 0.47 C ATOM 331 O6 G A 14 1.578 -8.509 -10.911 1.00 0.48 O ATOM 332 N1 G A 14 1.914 -7.917 -8.758 1.00 0.51 N ATOM 333 C2 G A 14 1.515 -7.766 -7.455 1.00 0.55 C ATOM 334 N2 G A 14 2.411 -7.290 -6.602 1.00 0.62 N ATOM 335 N3 G A 14 0.300 -8.066 -7.004 1.00 0.54 N ATOM 336 C4 G A 14 -0.498 -8.539 -7.990 1.00 0.48 C ATOM 0 H5' G A 14 -6.327 -10.623 -6.416 1.00 0.46 H new ATOM 0 H5'' G A 14 -7.000 -9.011 -6.279 1.00 0.46 H new ATOM 0 H4' G A 14 -4.958 -9.287 -5.052 1.00 0.46 H new ATOM 0 H3' G A 14 -4.919 -7.225 -7.301 1.00 0.44 H new ATOM 0 H2' G A 14 -2.587 -6.734 -6.756 1.00 0.48 H new ATOM 0 HO2' G A 14 -2.011 -6.601 -4.759 1.00 0.57 H new ATOM 0 H1' G A 14 -1.908 -9.338 -5.822 1.00 0.49 H new ATOM 0 H8 G A 14 -3.201 -9.698 -9.305 1.00 0.43 H new ATOM 0 H1 G A 14 2.871 -7.653 -8.991 1.00 0.51 H new ATOM 0 H21 G A 14 2.163 -7.159 -5.621 1.00 0.62 H new ATOM 0 H22 G A 14 3.349 -7.054 -6.926 1.00 0.62 H new ATOM 348 P G A 15 -6.292 -5.798 -5.467 1.00 0.43 P ATOM 349 OP1 G A 15 -7.516 -6.260 -4.775 1.00 0.52 O ATOM 350 OP2 G A 15 -6.360 -5.467 -6.916 1.00 0.44 O ATOM 351 O5' G A 15 -5.712 -4.518 -4.670 1.00 0.43 O ATOM 352 C5' G A 15 -5.299 -3.337 -5.368 1.00 0.42 C ATOM 353 C4' G A 15 -4.046 -3.584 -6.204 1.00 0.41 C ATOM 354 O4' G A 15 -3.962 -2.580 -7.231 1.00 0.41 O ATOM 355 C3' G A 15 -2.721 -3.492 -5.446 1.00 0.47 C ATOM 356 O3' G A 15 -1.787 -4.330 -6.148 1.00 0.47 O ATOM 357 C2' G A 15 -2.308 -2.038 -5.659 1.00 0.50 C ATOM 358 O2' G A 15 -0.892 -1.872 -5.545 1.00 0.57 O ATOM 359 C1' G A 15 -2.754 -1.816 -7.095 1.00 0.46 C ATOM 360 N9 G A 15 -3.042 -0.395 -7.369 1.00 0.47 N ATOM 361 C8 G A 15 -2.459 0.428 -8.292 1.00 0.54 C ATOM 362 N7 G A 15 -2.909 1.654 -8.264 1.00 0.56 N ATOM 363 C5 G A 15 -3.856 1.637 -7.245 1.00 0.50 C ATOM 364 C6 G A 15 -4.681 2.682 -6.745 1.00 0.52 C ATOM 365 O6 G A 15 -4.763 3.846 -7.129 1.00 0.60 O ATOM 366 N1 G A 15 -5.489 2.241 -5.716 1.00 0.49 N ATOM 367 C2 G A 15 -5.514 0.963 -5.227 1.00 0.43 C ATOM 368 N2 G A 15 -6.378 0.707 -4.258 1.00 0.44 N ATOM 369 N3 G A 15 -4.751 -0.025 -5.682 1.00 0.41 N ATOM 370 C4 G A 15 -3.945 0.384 -6.690 1.00 0.44 C ATOM 0 H5' G A 15 -5.106 -2.539 -4.651 1.00 0.42 H new ATOM 0 H5'' G A 15 -6.107 -2.996 -6.015 1.00 0.42 H new ATOM 0 H4' G A 15 -4.161 -4.604 -6.570 1.00 0.41 H new ATOM 0 H3' G A 15 -2.771 -3.781 -4.396 1.00 0.47 H new ATOM 0 H2' G A 15 -2.735 -1.347 -4.932 1.00 0.50 H new ATOM 0 HO2' G A 15 -0.554 -2.436 -4.818 1.00 0.57 H new ATOM 0 H1' G A 15 -1.973 -2.116 -7.794 1.00 0.46 H new ATOM 0 H8 G A 15 -1.697 0.095 -8.981 1.00 0.54 H new ATOM 0 H1 G A 15 -6.116 2.921 -5.287 1.00 0.49 H new ATOM 0 H21 G A 15 -6.435 -0.230 -3.860 1.00 0.44 H new ATOM 0 H22 G A 15 -6.987 1.447 -3.909 1.00 0.44 H new ATOM 382 P U A 16 -0.390 -4.797 -5.477 1.00 0.53 P ATOM 383 OP1 U A 16 -0.524 -6.207 -5.054 1.00 0.54 O ATOM 384 OP2 U A 16 0.032 -3.777 -4.490 1.00 0.59 O ATOM 385 O5' U A 16 0.619 -4.741 -6.732 1.00 0.53 O ATOM 386 C5' U A 16 0.387 -3.812 -7.797 1.00 0.49 C ATOM 387 C4' U A 16 0.785 -4.378 -9.155 1.00 0.46 C ATOM 388 O4' U A 16 0.062 -5.595 -9.411 1.00 0.42 O ATOM 389 C3' U A 16 0.436 -3.487 -10.337 1.00 0.44 C ATOM 390 O3' U A 16 1.567 -2.645 -10.587 1.00 0.51 O ATOM 391 C2' U A 16 0.342 -4.495 -11.465 1.00 0.39 C ATOM 392 O2' U A 16 1.643 -4.952 -11.848 1.00 0.43 O ATOM 393 C1' U A 16 -0.440 -5.600 -10.761 1.00 0.37 C ATOM 394 N1 U A 16 -1.894 -5.332 -10.720 1.00 0.36 N ATOM 395 C2 U A 16 -2.579 -5.264 -11.921 1.00 0.34 C ATOM 396 O2 U A 16 -2.036 -5.443 -13.005 1.00 0.36 O ATOM 397 N3 U A 16 -3.924 -4.978 -11.834 1.00 0.32 N ATOM 398 C4 U A 16 -4.633 -4.755 -10.673 1.00 0.33 C ATOM 399 O4 U A 16 -5.835 -4.511 -10.724 1.00 0.34 O ATOM 400 C5 U A 16 -3.854 -4.847 -9.464 1.00 0.37 C ATOM 401 C6 U A 16 -2.532 -5.130 -9.525 1.00 0.37 C ATOM 0 H5' U A 16 0.950 -2.898 -7.608 1.00 0.49 H new ATOM 0 H5'' U A 16 -0.668 -3.539 -7.815 1.00 0.49 H new ATOM 0 H4' U A 16 1.866 -4.499 -9.085 1.00 0.46 H new ATOM 0 H3' U A 16 -0.454 -2.871 -10.205 1.00 0.44 H new ATOM 0 H2' U A 16 -0.108 -4.124 -12.386 1.00 0.39 H new ATOM 0 HO2' U A 16 2.309 -4.270 -11.621 1.00 0.43 H new ATOM 0 H1' U A 16 -0.313 -6.547 -11.286 1.00 0.37 H new ATOM 0 H3 U A 16 -4.443 -4.926 -12.710 1.00 0.32 H new ATOM 0 H5 U A 16 -4.327 -4.690 -8.506 1.00 0.37 H new ATOM 0 H6 U A 16 -1.966 -5.198 -8.608 1.00 0.37 H new ATOM 412 P A A 17 1.386 -1.048 -10.709 1.00 0.55 P ATOM 413 OP1 A A 17 2.729 -0.430 -10.770 1.00 0.68 O ATOM 414 OP2 A A 17 0.412 -0.611 -9.681 1.00 0.57 O ATOM 415 O5' A A 17 0.688 -0.891 -12.150 1.00 0.50 O ATOM 416 C5' A A 17 1.299 -1.433 -13.327 1.00 0.47 C ATOM 417 C4' A A 17 0.269 -1.682 -14.421 1.00 0.41 C ATOM 418 O4' A A 17 -0.706 -2.618 -13.954 1.00 0.37 O ATOM 419 C3' A A 17 -0.563 -0.473 -14.796 1.00 0.45 C ATOM 420 O3' A A 17 0.138 0.233 -15.832 1.00 0.53 O ATOM 421 C2' A A 17 -1.791 -1.105 -15.428 1.00 0.40 C ATOM 422 O2' A A 17 -1.524 -1.468 -16.786 1.00 0.44 O ATOM 423 C1' A A 17 -1.983 -2.353 -14.563 1.00 0.34 C ATOM 424 N9 A A 17 -2.996 -2.182 -13.500 1.00 0.32 N ATOM 425 C8 A A 17 -2.814 -2.009 -12.149 1.00 0.35 C ATOM 426 N7 A A 17 -3.932 -1.939 -11.477 1.00 0.34 N ATOM 427 C5 A A 17 -4.916 -2.077 -12.453 1.00 0.30 C ATOM 428 C6 A A 17 -6.320 -2.091 -12.398 1.00 0.29 C ATOM 429 N6 A A 17 -7.015 -1.998 -11.269 1.00 0.31 N ATOM 430 N1 A A 17 -6.992 -2.242 -13.547 1.00 0.27 N ATOM 431 C2 A A 17 -6.310 -2.375 -14.679 1.00 0.28 C ATOM 432 N3 A A 17 -4.999 -2.380 -14.866 1.00 0.29 N ATOM 433 C4 A A 17 -4.356 -2.224 -13.688 1.00 0.29 C ATOM 0 H5' A A 17 1.803 -2.367 -13.080 1.00 0.47 H new ATOM 0 H5'' A A 17 2.062 -0.746 -13.693 1.00 0.47 H new ATOM 0 H4' A A 17 0.863 -2.011 -15.274 1.00 0.41 H new ATOM 0 H3' A A 17 -0.776 0.201 -13.966 1.00 0.45 H new ATOM 0 H2' A A 17 -2.662 -0.451 -15.460 1.00 0.40 H new ATOM 0 HO2' A A 17 -0.725 -0.996 -17.100 1.00 0.44 H new ATOM 0 H1' A A 17 -2.340 -3.168 -15.193 1.00 0.34 H new ATOM 0 H8 A A 17 -1.840 -1.938 -11.687 1.00 0.35 H new ATOM 0 H61 A A 17 -8.035 -2.014 -11.295 1.00 0.31 H new ATOM 0 H62 A A 17 -6.529 -1.911 -10.377 1.00 0.31 H new ATOM 0 H2 A A 17 -6.907 -2.496 -15.571 1.00 0.28 H new ATOM 445 P A A 18 1.017 1.535 -15.483 1.00 0.63 P ATOM 446 OP1 A A 18 0.940 2.472 -16.626 1.00 0.71 O ATOM 447 OP2 A A 18 2.339 1.082 -14.994 1.00 0.68 O ATOM 448 O5' A A 18 0.209 2.173 -14.237 1.00 0.63 O ATOM 449 C5' A A 18 -0.864 3.120 -14.405 1.00 0.65 C ATOM 450 C4' A A 18 -1.635 2.947 -15.718 1.00 0.62 C ATOM 451 O4' A A 18 -2.142 1.606 -15.820 1.00 0.53 O ATOM 452 C3' A A 18 -2.875 3.816 -15.828 1.00 0.65 C ATOM 453 O3' A A 18 -2.483 5.041 -16.464 1.00 0.78 O ATOM 454 C2' A A 18 -3.732 3.034 -16.809 1.00 0.57 C ATOM 455 O2' A A 18 -3.239 3.190 -18.144 1.00 0.65 O ATOM 456 C1' A A 18 -3.498 1.610 -16.308 1.00 0.49 C ATOM 457 N9 A A 18 -4.389 1.235 -15.195 1.00 0.43 N ATOM 458 C8 A A 18 -4.042 0.867 -13.921 1.00 0.42 C ATOM 459 N7 A A 18 -5.064 0.630 -13.149 1.00 0.39 N ATOM 460 C5 A A 18 -6.160 0.845 -13.975 1.00 0.36 C ATOM 461 C6 A A 18 -7.541 0.755 -13.755 1.00 0.34 C ATOM 462 N6 A A 18 -8.070 0.394 -12.594 1.00 0.35 N ATOM 463 N1 A A 18 -8.359 1.031 -14.780 1.00 0.35 N ATOM 464 C2 A A 18 -7.831 1.375 -15.949 1.00 0.39 C ATOM 465 N3 A A 18 -6.554 1.498 -16.283 1.00 0.42 N ATOM 466 C4 A A 18 -5.763 1.213 -15.227 1.00 0.39 C ATOM 0 H5' A A 18 -0.456 4.130 -14.363 1.00 0.65 H new ATOM 0 H5'' A A 18 -1.558 3.022 -13.570 1.00 0.65 H new ATOM 0 H4' A A 18 -0.914 3.215 -16.490 1.00 0.62 H new ATOM 0 H3' A A 18 -3.366 4.034 -14.879 1.00 0.65 H new ATOM 0 H2' A A 18 -4.778 3.338 -16.850 1.00 0.57 H new ATOM 0 HO2' A A 18 -2.561 3.897 -18.162 1.00 0.65 H new ATOM 0 H1' A A 18 -3.691 0.901 -17.113 1.00 0.49 H new ATOM 0 H8 A A 18 -3.018 0.782 -13.589 1.00 0.42 H new ATOM 0 H61 A A 18 -9.083 0.345 -12.489 1.00 0.35 H new ATOM 0 H62 A A 18 -7.464 0.165 -11.806 1.00 0.35 H new ATOM 0 H2 A A 18 -8.540 1.583 -16.737 1.00 0.39 H new ATOM 478 P U A 19 -3.097 6.456 -15.990 1.00 0.87 P ATOM 479 OP1 U A 19 -2.321 7.539 -16.635 1.00 1.07 O ATOM 480 OP2 U A 19 -3.243 6.428 -14.516 1.00 0.92 O ATOM 481 O5' U A 19 -4.572 6.436 -16.639 1.00 0.73 O ATOM 482 C5' U A 19 -4.753 6.156 -18.034 1.00 0.72 C ATOM 483 C4' U A 19 -6.134 5.575 -18.320 1.00 0.59 C ATOM 484 O4' U A 19 -6.384 4.495 -17.421 1.00 0.49 O ATOM 485 C3' U A 19 -7.297 6.514 -18.065 1.00 0.59 C ATOM 486 O3' U A 19 -7.513 7.250 -19.280 1.00 0.70 O ATOM 487 C2' U A 19 -8.464 5.547 -17.902 1.00 0.49 C ATOM 488 O2' U A 19 -8.974 5.154 -19.179 1.00 0.56 O ATOM 489 C1' U A 19 -7.798 4.354 -17.197 1.00 0.45 C ATOM 490 N1 U A 19 -8.053 4.324 -15.743 1.00 0.41 N ATOM 491 C2 U A 19 -9.326 3.986 -15.322 1.00 0.41 C ATOM 492 O2 U A 19 -10.237 3.724 -16.102 1.00 0.48 O ATOM 493 N3 U A 19 -9.516 3.928 -13.963 1.00 0.39 N ATOM 494 C4 U A 19 -8.567 4.164 -12.996 1.00 0.38 C ATOM 495 O4 U A 19 -8.861 4.061 -11.808 1.00 0.40 O ATOM 496 C5 U A 19 -7.265 4.510 -13.507 1.00 0.41 C ATOM 497 C6 U A 19 -7.055 4.582 -14.844 1.00 0.42 C ATOM 0 H5' U A 19 -3.988 5.455 -18.366 1.00 0.72 H new ATOM 0 H5'' U A 19 -4.618 7.072 -18.609 1.00 0.72 H new ATOM 0 H4' U A 19 -6.095 5.314 -19.377 1.00 0.59 H new ATOM 0 H3' U A 19 -7.160 7.198 -17.228 1.00 0.59 H new ATOM 0 H2' U A 19 -9.311 5.966 -17.358 1.00 0.49 H new ATOM 0 HO2' U A 19 -8.620 5.751 -19.871 1.00 0.56 H new ATOM 0 H1' U A 19 -8.207 3.427 -17.599 1.00 0.45 H new ATOM 0 H3 U A 19 -10.453 3.686 -13.639 1.00 0.39 H new ATOM 0 H5 U A 19 -6.454 4.713 -12.823 1.00 0.41 H new ATOM 0 H6 U A 19 -6.074 4.850 -15.209 1.00 0.42 H new ATOM 508 P G A 20 -8.030 8.776 -19.250 1.00 0.72 P ATOM 509 OP1 G A 20 -8.010 9.297 -20.635 1.00 0.89 O ATOM 510 OP2 G A 20 -7.295 9.494 -18.183 1.00 0.83 O ATOM 511 O5' G A 20 -9.569 8.621 -18.792 1.00 0.64 O ATOM 512 C5' G A 20 -10.080 9.365 -17.679 1.00 0.54 C ATOM 513 C4' G A 20 -11.532 9.008 -17.378 1.00 0.41 C ATOM 514 O4' G A 20 -11.612 7.621 -17.008 1.00 0.36 O ATOM 515 C3' G A 20 -12.131 9.758 -16.192 1.00 0.47 C ATOM 516 O3' G A 20 -12.883 10.860 -16.724 1.00 0.56 O ATOM 517 C2' G A 20 -13.131 8.761 -15.633 1.00 0.44 C ATOM 518 O2' G A 20 -14.319 8.730 -16.431 1.00 0.49 O ATOM 519 C1' G A 20 -12.344 7.468 -15.783 1.00 0.36 C ATOM 520 N9 G A 20 -11.385 7.247 -14.685 1.00 0.30 N ATOM 521 C8 G A 20 -10.034 7.042 -14.766 1.00 0.30 C ATOM 522 N7 G A 20 -9.466 6.824 -13.614 1.00 0.29 N ATOM 523 C5 G A 20 -10.517 6.891 -12.707 1.00 0.27 C ATOM 524 C6 G A 20 -10.514 6.734 -11.297 1.00 0.29 C ATOM 525 O6 G A 20 -9.567 6.470 -10.563 1.00 0.32 O ATOM 526 N1 G A 20 -11.779 6.883 -10.762 1.00 0.32 N ATOM 527 C2 G A 20 -12.913 7.145 -11.485 1.00 0.35 C ATOM 528 N2 G A 20 -14.046 7.253 -10.807 1.00 0.42 N ATOM 529 N3 G A 20 -12.936 7.293 -12.810 1.00 0.34 N ATOM 530 C4 G A 20 -11.701 7.154 -13.352 1.00 0.29 C ATOM 0 H5' G A 20 -10.004 10.432 -17.889 1.00 0.54 H new ATOM 0 H5'' G A 20 -9.468 9.169 -16.799 1.00 0.54 H new ATOM 0 H4' G A 20 -12.078 9.267 -18.285 1.00 0.41 H new ATOM 0 H3' G A 20 -11.397 10.112 -15.468 1.00 0.47 H new ATOM 0 H2' G A 20 -13.473 8.974 -14.620 1.00 0.44 H new ATOM 0 HO2' G A 20 -14.377 9.551 -16.963 1.00 0.49 H new ATOM 0 H1' G A 20 -13.023 6.616 -15.772 1.00 0.36 H new ATOM 0 H8 G A 20 -9.489 7.059 -15.698 1.00 0.30 H new ATOM 0 H1 G A 20 -11.876 6.791 -9.751 1.00 0.32 H new ATOM 0 H21 G A 20 -14.918 7.447 -11.299 1.00 0.42 H new ATOM 0 H22 G A 20 -14.046 7.142 -9.793 1.00 0.42 H new ATOM 542 P A A 21 -12.425 12.383 -16.464 1.00 0.57 P ATOM 543 OP1 A A 21 -13.172 13.254 -17.400 1.00 0.76 O ATOM 544 OP2 A A 21 -10.945 12.427 -16.441 1.00 0.68 O ATOM 545 O5' A A 21 -12.968 12.666 -14.972 1.00 0.51 O ATOM 546 C5' A A 21 -12.089 13.146 -13.948 1.00 0.48 C ATOM 547 C4' A A 21 -12.720 13.030 -12.564 1.00 0.44 C ATOM 548 O4' A A 21 -12.968 11.645 -12.271 1.00 0.46 O ATOM 549 C3' A A 21 -11.831 13.501 -11.421 1.00 0.45 C ATOM 550 O3' A A 21 -12.148 14.876 -11.166 1.00 0.52 O ATOM 551 C2' A A 21 -12.357 12.685 -10.255 1.00 0.45 C ATOM 552 O2' A A 21 -13.612 13.200 -9.798 1.00 0.50 O ATOM 553 C1' A A 21 -12.539 11.334 -10.936 1.00 0.43 C ATOM 554 N9 A A 21 -11.283 10.564 -11.013 1.00 0.40 N ATOM 555 C8 A A 21 -10.596 10.158 -12.130 1.00 0.43 C ATOM 556 N7 A A 21 -9.495 9.517 -11.859 1.00 0.42 N ATOM 557 C5 A A 21 -9.455 9.497 -10.469 1.00 0.39 C ATOM 558 C6 A A 21 -8.537 8.963 -9.553 1.00 0.39 C ATOM 559 N6 A A 21 -7.433 8.318 -9.913 1.00 0.43 N ATOM 560 N1 A A 21 -8.796 9.115 -8.246 1.00 0.37 N ATOM 561 C2 A A 21 -9.898 9.759 -7.879 1.00 0.36 C ATOM 562 N3 A A 21 -10.836 10.305 -8.637 1.00 0.37 N ATOM 563 C4 A A 21 -10.542 10.132 -9.943 1.00 0.37 C ATOM 0 H5' A A 21 -11.834 14.187 -14.146 1.00 0.48 H new ATOM 0 H5'' A A 21 -11.158 12.580 -13.972 1.00 0.48 H new ATOM 0 H4' A A 21 -13.612 13.655 -12.615 1.00 0.44 H new ATOM 0 H3' A A 21 -10.761 13.397 -11.603 1.00 0.45 H new ATOM 0 H2' A A 21 -11.717 12.674 -9.372 1.00 0.45 H new ATOM 0 HO2' A A 21 -13.617 14.176 -9.887 1.00 0.50 H new ATOM 0 H1' A A 21 -13.245 10.723 -10.374 1.00 0.43 H new ATOM 0 H8 A A 21 -10.936 10.351 -13.137 1.00 0.43 H new ATOM 0 H61 A A 21 -6.802 7.951 -9.201 1.00 0.43 H new ATOM 0 H62 A A 21 -7.217 8.190 -10.902 1.00 0.43 H new ATOM 0 H2 A A 21 -10.050 9.850 -6.814 1.00 0.36 H new ATOM 575 P G A 22 -10.991 15.922 -10.762 1.00 0.57 P ATOM 576 OP1 G A 22 -11.619 17.245 -10.542 1.00 0.71 O ATOM 577 OP2 G A 22 -9.880 15.785 -11.731 1.00 0.65 O ATOM 578 O5' G A 22 -10.489 15.356 -9.339 1.00 0.51 O ATOM 579 C5' G A 22 -11.268 15.556 -8.152 1.00 0.52 C ATOM 580 C4' G A 22 -10.617 14.908 -6.933 1.00 0.48 C ATOM 581 O4' G A 22 -10.521 13.493 -7.140 1.00 0.47 O ATOM 582 C3' G A 22 -9.184 15.332 -6.673 1.00 0.45 C ATOM 583 O3' G A 22 -9.228 16.494 -5.830 1.00 0.54 O ATOM 584 C2' G A 22 -8.658 14.171 -5.844 1.00 0.43 C ATOM 585 O2' G A 22 -9.103 14.272 -4.488 1.00 0.52 O ATOM 586 C1' G A 22 -9.309 12.981 -6.552 1.00 0.43 C ATOM 587 N9 G A 22 -8.455 12.436 -7.624 1.00 0.45 N ATOM 588 C8 G A 22 -8.621 12.531 -8.984 1.00 0.52 C ATOM 589 N7 G A 22 -7.671 11.958 -9.667 1.00 0.55 N ATOM 590 C5 G A 22 -6.819 11.446 -8.694 1.00 0.50 C ATOM 591 C6 G A 22 -5.608 10.715 -8.833 1.00 0.54 C ATOM 592 O6 G A 22 -5.037 10.373 -9.860 1.00 0.60 O ATOM 593 N1 G A 22 -5.066 10.389 -7.606 1.00 0.51 N ATOM 594 C2 G A 22 -5.609 10.718 -6.391 1.00 0.46 C ATOM 595 N2 G A 22 -4.959 10.306 -5.311 1.00 0.49 N ATOM 596 N3 G A 22 -6.741 11.402 -6.242 1.00 0.42 N ATOM 597 C4 G A 22 -7.291 11.733 -7.437 1.00 0.44 C ATOM 0 H5' G A 22 -12.265 15.139 -8.297 1.00 0.52 H new ATOM 0 H5'' G A 22 -11.392 16.624 -7.974 1.00 0.52 H new ATOM 0 H4' G A 22 -11.249 15.214 -6.099 1.00 0.48 H new ATOM 0 H3' G A 22 -8.599 15.550 -7.566 1.00 0.45 H new ATOM 0 H2' G A 22 -7.571 14.114 -5.784 1.00 0.43 H new ATOM 0 HO2' G A 22 -8.641 15.015 -4.047 1.00 0.52 H new ATOM 0 H1' G A 22 -9.482 12.173 -5.841 1.00 0.43 H new ATOM 0 H8 G A 22 -9.459 13.033 -9.444 1.00 0.52 H new ATOM 0 H1 G A 22 -4.193 9.862 -7.603 1.00 0.51 H new ATOM 0 H21 G A 22 -5.322 10.525 -4.383 1.00 0.49 H new ATOM 0 H22 G A 22 -4.097 9.770 -5.408 1.00 0.49 H new ATOM 609 P U A 23 -7.879 17.269 -5.412 1.00 0.58 P ATOM 610 OP1 U A 23 -8.234 18.661 -5.056 1.00 0.81 O ATOM 611 OP2 U A 23 -6.852 17.012 -6.449 1.00 0.61 O ATOM 612 O5' U A 23 -7.435 16.504 -4.064 1.00 0.56 O ATOM 613 C5' U A 23 -6.082 16.566 -3.597 1.00 0.56 C ATOM 614 C4' U A 23 -5.617 15.219 -3.052 1.00 0.55 C ATOM 615 O4' U A 23 -5.647 14.251 -4.117 1.00 0.53 O ATOM 616 C3' U A 23 -4.173 15.192 -2.543 1.00 0.60 C ATOM 617 O3' U A 23 -3.999 14.148 -1.579 1.00 0.68 O ATOM 618 C2' U A 23 -3.419 14.867 -3.822 1.00 0.59 C ATOM 619 O2' U A 23 -2.114 14.349 -3.532 1.00 0.68 O ATOM 620 C1' U A 23 -4.321 13.786 -4.394 1.00 0.55 C ATOM 621 N1 U A 23 -4.157 13.611 -5.851 1.00 0.54 N ATOM 622 C2 U A 23 -3.132 12.791 -6.283 1.00 0.61 C ATOM 623 O2 U A 23 -2.359 12.236 -5.510 1.00 0.68 O ATOM 624 N3 U A 23 -3.019 12.634 -7.644 1.00 0.63 N ATOM 625 C4 U A 23 -3.823 13.214 -8.600 1.00 0.62 C ATOM 626 O4 U A 23 -3.617 12.982 -9.788 1.00 0.68 O ATOM 627 C5 U A 23 -4.871 14.059 -8.075 1.00 0.58 C ATOM 628 C6 U A 23 -4.999 14.226 -6.736 1.00 0.53 C ATOM 0 H5' U A 23 -5.999 17.323 -2.817 1.00 0.56 H new ATOM 0 H5'' U A 23 -5.428 16.875 -4.412 1.00 0.56 H new ATOM 0 H4' U A 23 -6.289 15.009 -2.220 1.00 0.55 H new ATOM 0 H3' U A 23 -3.851 16.108 -2.048 1.00 0.60 H new ATOM 0 H2' U A 23 -3.242 15.716 -4.482 1.00 0.59 H new ATOM 0 HO2' U A 23 -1.936 13.573 -4.103 1.00 0.68 H new ATOM 0 HO3' U A 23 -3.186 13.643 -1.787 1.00 0.68 H new ATOM 0 H1' U A 23 -4.087 12.817 -3.954 1.00 0.55 H new ATOM 0 H3 U A 23 -2.268 12.030 -7.978 1.00 0.63 H new ATOM 0 H5 U A 23 -5.552 14.557 -8.749 1.00 0.58 H new ATOM 0 H6 U A 23 -5.786 14.861 -6.358 1.00 0.53 H new TER 640 U A 23 HETATM 641 C1 TOA A 100 -9.135 0.682 -7.678 1.00 0.27 C HETATM 642 C2 TOA A 100 -8.715 2.108 -8.026 1.00 0.32 C HETATM 643 C3 TOA A 100 -7.921 2.091 -9.334 1.00 0.34 C HETATM 644 C4 TOA A 100 -6.739 1.124 -9.234 1.00 0.35 C HETATM 645 C5 TOA A 100 -7.226 -0.252 -8.772 1.00 0.31 C HETATM 646 C6 TOA A 100 -6.100 -1.234 -8.510 1.00 0.36 C HETATM 647 O2 TOA A 100 -9.864 2.937 -8.167 1.00 0.34 O HETATM 648 N3 TOA A 100 -7.383 3.365 -9.890 1.00 0.43 N HETATM 649 O4 TOA A 100 -6.118 1.018 -10.509 1.00 0.38 O HETATM 650 O5 TOA A 100 -7.976 -0.122 -7.549 1.00 0.29 O HETATM 651 O6 TOA A 100 -6.584 -2.570 -8.431 1.00 0.36 O HETATM 0 HN33 TOA A 100 -6.419 3.225 -10.191 1.00 0.43 H new HETATM 0 HN32 TOA A 100 -7.949 3.654 -10.688 1.00 0.43 H new HETATM 0 HN31 TOA A 100 -7.413 4.089 -9.172 1.00 0.43 H new HETATM 0 HO6 TOA A 100 -6.072 -3.140 -9.042 1.00 0.36 H new HETATM 0 HO4 TOA A 100 -5.163 0.833 -10.393 1.00 0.38 H new HETATM 0 HO2 TOA A 100 -9.611 3.873 -8.025 1.00 0.34 H new HETATM 0 H62 TOA A 100 -5.359 -1.160 -9.306 1.00 0.36 H new HETATM 0 H61 TOA A 100 -5.596 -0.972 -7.580 1.00 0.36 H new HETATM 0 H5 TOA A 100 -7.837 -0.639 -9.587 1.00 0.31 H new HETATM 0 H4 TOA A 100 -6.019 1.500 -8.507 1.00 0.35 H new HETATM 0 H3 TOA A 100 -8.704 1.793 -10.031 1.00 0.34 H new HETATM 0 H2 TOA A 100 -8.094 2.508 -7.225 1.00 0.32 H new HETATM 665 C1 TOC A 102 -10.962 -4.894 -6.990 1.00 0.24 C HETATM 666 C2 TOC A 102 -9.604 -5.594 -7.110 1.00 0.26 C HETATM 667 C3 TOC A 102 -9.758 -6.959 -7.777 1.00 0.30 C HETATM 668 C4 TOC A 102 -10.804 -7.765 -7.029 1.00 0.34 C HETATM 669 C5 TOC A 102 -12.119 -7.001 -7.021 1.00 0.31 C HETATM 670 C6 TOC A 102 -13.198 -7.756 -6.267 1.00 0.40 C HETATM 671 N2 TOC A 102 -8.667 -4.743 -7.914 1.00 0.28 N HETATM 672 N6 TOC A 102 -13.346 -9.110 -6.907 1.00 0.49 N HETATM 673 O4 TOC A 102 -10.983 -9.031 -7.648 1.00 0.42 O HETATM 674 O5 TOC A 102 -11.932 -5.733 -6.369 1.00 0.28 O HETATM 0 HN63 TOC A 102 -13.594 -9.798 -6.196 1.00 0.49 H new HETATM 0 HN62 TOC A 102 -14.080 -9.074 -7.614 1.00 0.49 H new HETATM 0 HN61 TOC A 102 -12.465 -9.378 -7.345 1.00 0.49 H new HETATM 0 HN23 TOC A 102 -7.705 -4.941 -7.638 1.00 0.28 H new HETATM 0 HN22 TOC A 102 -8.785 -4.950 -8.906 1.00 0.28 H new HETATM 0 HN21 TOC A 102 -8.872 -3.758 -7.746 1.00 0.28 H new HETATM 0 HO4 TOC A 102 -10.109 -9.409 -7.879 1.00 0.42 H new HETATM 0 H62 TOC A 102 -12.929 -7.858 -5.216 1.00 0.40 H new HETATM 0 H61 TOC A 102 -14.141 -7.211 -6.303 1.00 0.40 H new HETATM 0 H5 TOC A 102 -12.430 -6.871 -8.058 1.00 0.31 H new HETATM 0 H4 TOC A 102 -10.469 -7.923 -6.004 1.00 0.34 H new HETATM 0 H32 TOC A 102 -10.053 -6.837 -8.819 1.00 0.30 H new HETATM 0 H31 TOC A 102 -8.805 -7.487 -7.775 1.00 0.30 H new HETATM 0 H2 TOC A 102 -9.199 -5.740 -6.109 1.00 0.26 H new HETATM 690 C1 2TB A 101 -12.246 -0.359 -9.245 1.00 0.23 C HETATM 691 C2 2TB A 101 -13.362 -1.411 -9.219 1.00 0.21 C HETATM 692 C3 2TB A 101 -12.817 -2.828 -9.369 1.00 0.19 C HETATM 693 C4 2TB A 101 -11.823 -3.073 -8.242 1.00 0.20 C HETATM 694 C5 2TB A 101 -10.625 -2.137 -8.406 1.00 0.22 C HETATM 695 C6 2TB A 101 -11.065 -0.664 -8.310 1.00 0.22 C HETATM 696 N1 2TB A 101 -12.787 1.004 -8.892 1.00 0.30 N HETATM 697 N3 2TB A 101 -13.928 -3.834 -9.363 1.00 0.21 N HETATM 698 O5 2TB A 101 -9.663 -2.429 -7.400 1.00 0.27 O HETATM 699 O4 2TB A 101 -11.380 -4.442 -8.247 1.00 0.22 O HETATM 700 O6 2TB A 101 -9.972 0.199 -8.692 1.00 0.25 O HETATM 0 HN33 2TB A 101 -13.535 -4.775 -9.364 1.00 0.21 H new HETATM 0 HN32 2TB A 101 -14.499 -3.705 -8.528 1.00 0.21 H new HETATM 0 HN31 2TB A 101 -14.507 -3.707 -10.193 1.00 0.21 H new HETATM 0 HN13 2TB A 101 -12.045 1.698 -8.980 1.00 0.30 H new HETATM 0 HN12 2TB A 101 -13.551 1.242 -9.525 1.00 0.30 H new HETATM 0 HN11 2TB A 101 -13.132 0.995 -7.932 1.00 0.30 H new HETATM 0 HO5 2TB A 101 -8.934 -1.776 -7.445 1.00 0.27 H new HETATM 0 H6 2TB A 101 -11.368 -0.487 -7.278 1.00 0.22 H new HETATM 0 H5 2TB A 101 -10.184 -2.293 -9.391 1.00 0.22 H new HETATM 0 H4 2TB A 101 -12.314 -2.873 -7.289 1.00 0.20 H new HETATM 0 H3 2TB A 101 -12.310 -2.938 -10.328 1.00 0.19 H new HETATM 0 H22 2TB A 101 -13.913 -1.332 -8.282 1.00 0.21 H new HETATM 0 H21 2TB A 101 -14.070 -1.208 -10.023 1.00 0.21 H new HETATM 0 H1 2TB A 101 -11.868 -0.382 -10.267 1.00 0.23 H new