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 -163:sc= 1.26 USER MOD Set 1.2: A 101 2TB O5 : rot -90:sc= 0.23 USER MOD Set 1.3: A 102 TOC N2 :NH3+ 154:sc= 3.33 (180deg=0.102) USER MOD Set 2.1: A 100 TOA O2 : rot 154:sc= 1.86 USER MOD Set 2.2: A 101 2TB N1 :NH3+ -172:sc= -0.546! (180deg=-0.887!) USER MOD Single : A 4 A O2' : rot 180:sc= -1.3 USER MOD Single : A 4 A O5' : rot 7:sc= 0.111 USER MOD Single : A 5 C O2' : rot -18:sc= 0.345 USER MOD Single : A 6 U O2' : rot -21:sc= 0.289 USER MOD Single : A 7 U O2' : rot -14:sc= 0.367 USER MOD Single : A 8 G O2' : rot -11:sc= 0.556 USER MOD Single : A 9 G O2' : rot -34:sc= 0.198 USER MOD Single : A 10 U O2' : rot -24:sc= 0.434 USER MOD Single : A 11 U O2' : rot -10:sc= 0.436 USER MOD Single : A 12 U O2' : rot -80:sc= 1.85 USER MOD Single : A 13 A O2' : rot -5:sc= -3.69! USER MOD Single : A 14 G O2' : rot -173:sc= 0.955 USER MOD Single : A 15 G O2' : rot -38:sc= 0.152 USER MOD Single : A 16 U O2' : rot -80:sc= 1.1 USER MOD Single : A 17 A O2' : rot -85:sc= 1.05 USER MOD Single : A 18 A O2' : rot -17:sc= 0.266 USER MOD Single : A 19 U O2' : rot -20:sc= 0.366 USER MOD Single : A 20 G O2' : rot -27:sc= 0.228 USER MOD Single : A 21 A O2' : rot -72:sc= 0.535 USER MOD Single : A 22 G O2' : rot -22:sc= 0.314 USER MOD Single : A 23 U O2' : rot 140:sc= 0.652 USER MOD Single : A 23 U O3' : rot 142:sc= 0.1 USER MOD Single : A 100 TOA N3 :NH3+ -106:sc= 2.26 (180deg=-1.25!) USER MOD Single : A 100 TOA O4 : rot 170:sc= 0.765 USER MOD Single : A 101 2TB N3 :NH3+ -143:sc= 0.00606 (180deg=0) USER MOD Single : A 102 TOC N6 :NH3+ 165:sc= 0.611 (180deg=0.268) USER MOD Single : A 102 TOC O4 : rot 18:sc= 1.46! USER MOD ----------------------------------------------------------------- ATOM 1 O5' A A 4 6.089 9.320 -7.902 1.00 2.41 O ATOM 2 C5' A A 4 5.443 10.594 -7.917 1.00 2.30 C ATOM 3 C4' A A 4 4.501 10.745 -6.728 1.00 2.05 C ATOM 4 O4' A A 4 3.769 11.967 -6.843 1.00 1.99 O ATOM 5 C3' A A 4 3.409 9.697 -6.644 1.00 1.79 C ATOM 6 O3' A A 4 3.953 8.568 -5.945 1.00 1.84 O ATOM 7 C2' A A 4 2.395 10.375 -5.734 1.00 1.59 C ATOM 8 O2' A A 4 2.779 10.270 -4.360 1.00 1.62 O ATOM 9 C1' A A 4 2.478 11.829 -6.217 1.00 1.72 C ATOM 10 N9 A A 4 1.432 12.147 -7.206 1.00 1.59 N ATOM 11 C8 A A 4 1.526 12.190 -8.574 1.00 1.69 C ATOM 12 N7 A A 4 0.405 12.505 -9.165 1.00 1.55 N ATOM 13 C5 A A 4 -0.487 12.681 -8.111 1.00 1.36 C ATOM 14 C6 A A 4 -1.847 13.026 -8.061 1.00 1.19 C ATOM 15 N6 A A 4 -2.588 13.272 -9.138 1.00 1.18 N ATOM 16 N1 A A 4 -2.424 13.113 -6.854 1.00 1.11 N ATOM 17 C2 A A 4 -1.695 12.874 -5.770 1.00 1.16 C ATOM 18 N3 A A 4 -0.417 12.544 -5.684 1.00 1.29 N ATOM 19 C4 A A 4 0.130 12.464 -6.913 1.00 1.39 C ATOM 0 H5' A A 4 4.884 10.711 -8.845 1.00 2.30 H new ATOM 0 H5'' A A 4 6.192 11.385 -7.894 1.00 2.30 H new ATOM 0 H4' A A 4 5.161 10.676 -5.863 1.00 2.05 H new ATOM 0 H3' A A 4 3.006 9.371 -7.603 1.00 1.79 H new ATOM 0 H2' A A 4 1.396 9.942 -5.782 1.00 1.59 H new ATOM 0 HO2' A A 4 2.110 10.715 -3.799 1.00 1.62 H new ATOM 0 HO5' A A 4 5.706 8.768 -7.189 1.00 2.41 H new ATOM 0 H1' A A 4 2.337 12.507 -5.375 1.00 1.72 H new ATOM 0 H8 A A 4 2.440 11.983 -9.111 1.00 1.69 H new ATOM 0 H61 A A 4 -3.572 13.518 -9.034 1.00 1.18 H new ATOM 0 H62 A A 4 -2.172 13.214 -10.067 1.00 1.18 H new ATOM 0 H2 A A 4 -2.218 12.961 -4.829 1.00 1.16 H new ATOM 32 P C A 5 3.196 7.146 -5.959 1.00 1.74 P ATOM 33 OP1 C A 5 4.073 6.146 -5.310 1.00 1.91 O ATOM 34 OP2 C A 5 2.691 6.905 -7.330 1.00 1.78 O ATOM 35 O5' C A 5 1.928 7.410 -4.999 1.00 1.45 O ATOM 36 C5' C A 5 2.097 7.547 -3.582 1.00 1.43 C ATOM 37 C4' C A 5 0.792 7.944 -2.897 1.00 1.19 C ATOM 38 O4' C A 5 0.324 9.180 -3.449 1.00 1.14 O ATOM 39 C3' C A 5 -0.362 6.986 -3.123 1.00 1.05 C ATOM 40 O3' C A 5 -0.310 6.008 -2.073 1.00 1.13 O ATOM 41 C2' C A 5 -1.572 7.873 -2.871 1.00 0.88 C ATOM 42 O2' C A 5 -1.809 8.021 -1.470 1.00 0.93 O ATOM 43 C1' C A 5 -1.117 9.198 -3.493 1.00 0.93 C ATOM 44 N1 C A 5 -1.551 9.345 -4.901 1.00 0.89 N ATOM 45 C2 C A 5 -2.774 9.959 -5.142 1.00 0.79 C ATOM 46 O2 C A 5 -3.482 10.331 -4.210 1.00 0.81 O ATOM 47 N3 C A 5 -3.176 10.131 -6.427 1.00 0.79 N ATOM 48 C4 C A 5 -2.412 9.717 -7.444 1.00 0.90 C ATOM 49 N4 C A 5 -2.863 9.923 -8.677 1.00 0.94 N ATOM 50 C5 C A 5 -1.155 9.081 -7.209 1.00 1.05 C ATOM 51 C6 C A 5 -0.765 8.914 -5.932 1.00 1.03 C ATOM 0 H5' C A 5 2.860 8.298 -3.377 1.00 1.43 H new ATOM 0 H5'' C A 5 2.456 6.606 -3.165 1.00 1.43 H new ATOM 0 H4' C A 5 1.043 7.975 -1.837 1.00 1.19 H new ATOM 0 H3' C A 5 -0.364 6.491 -4.094 1.00 1.05 H new ATOM 0 H2' C A 5 -2.504 7.486 -3.283 1.00 0.88 H new ATOM 0 HO2' C A 5 -1.345 7.309 -0.983 1.00 0.93 H new ATOM 0 H1' C A 5 -1.555 10.030 -2.942 1.00 0.93 H new ATOM 0 H41 C A 5 -2.310 9.622 -9.479 1.00 0.94 H new ATOM 0 H42 C A 5 -3.762 10.382 -8.821 1.00 0.94 H new ATOM 0 H5 C A 5 -0.538 8.745 -8.029 1.00 1.05 H new ATOM 0 H6 C A 5 0.179 8.434 -5.720 1.00 1.03 H new ATOM 63 P U A 6 -1.188 4.659 -2.146 1.00 1.17 P ATOM 64 OP1 U A 6 -0.651 3.703 -1.154 1.00 1.39 O ATOM 65 OP2 U A 6 -1.305 4.261 -3.569 1.00 1.19 O ATOM 66 O5' U A 6 -2.637 5.153 -1.639 1.00 1.15 O ATOM 67 C5' U A 6 -3.834 4.659 -2.255 1.00 1.03 C ATOM 68 C4' U A 6 -5.029 5.561 -1.967 1.00 0.85 C ATOM 69 O4' U A 6 -4.759 6.879 -2.468 1.00 0.76 O ATOM 70 C3' U A 6 -6.315 5.152 -2.668 1.00 0.78 C ATOM 71 O3' U A 6 -7.041 4.305 -1.765 1.00 0.93 O ATOM 72 C2' U A 6 -7.062 6.472 -2.761 1.00 0.69 C ATOM 73 O2' U A 6 -7.631 6.823 -1.495 1.00 0.83 O ATOM 74 C1' U A 6 -5.919 7.417 -3.126 1.00 0.67 C ATOM 75 N1 U A 6 -5.658 7.471 -4.583 1.00 0.60 N ATOM 76 C2 U A 6 -6.615 8.067 -5.383 1.00 0.55 C ATOM 77 O2 U A 6 -7.669 8.508 -4.941 1.00 0.61 O ATOM 78 N3 U A 6 -6.325 8.127 -6.726 1.00 0.52 N ATOM 79 C4 U A 6 -5.184 7.655 -7.335 1.00 0.57 C ATOM 80 O4 U A 6 -5.045 7.779 -8.546 1.00 0.61 O ATOM 81 C5 U A 6 -4.232 7.042 -6.441 1.00 0.65 C ATOM 82 C6 U A 6 -4.497 6.970 -5.114 1.00 0.64 C ATOM 0 H5' U A 6 -4.042 3.653 -1.892 1.00 1.03 H new ATOM 0 H5'' U A 6 -3.685 4.585 -3.332 1.00 1.03 H new ATOM 0 H4' U A 6 -5.165 5.499 -0.887 1.00 0.85 H new ATOM 0 H3' U A 6 -6.174 4.644 -3.622 1.00 0.78 H new ATOM 0 H2' U A 6 -7.897 6.477 -3.461 1.00 0.69 H new ATOM 0 HO2' U A 6 -7.716 6.020 -0.940 1.00 0.83 H new ATOM 0 H1' U A 6 -6.168 8.433 -2.821 1.00 0.67 H new ATOM 0 H3 U A 6 -7.022 8.563 -7.329 1.00 0.52 H new ATOM 0 H5 U A 6 -3.308 6.640 -6.829 1.00 0.65 H new ATOM 0 H6 U A 6 -3.775 6.506 -4.458 1.00 0.64 H new ATOM 93 P U A 7 -7.744 2.952 -2.282 1.00 0.99 P ATOM 94 OP1 U A 7 -7.767 1.981 -1.169 1.00 1.35 O ATOM 95 OP2 U A 7 -7.129 2.570 -3.580 1.00 1.04 O ATOM 96 O5' U A 7 -9.255 3.422 -2.574 1.00 0.85 O ATOM 97 C5' U A 7 -9.957 2.925 -3.717 1.00 0.69 C ATOM 98 C4' U A 7 -11.074 3.866 -4.158 1.00 0.58 C ATOM 99 O4' U A 7 -10.547 5.196 -4.302 1.00 0.61 O ATOM 100 C3' U A 7 -11.675 3.516 -5.518 1.00 0.53 C ATOM 101 O3' U A 7 -12.959 2.928 -5.268 1.00 0.53 O ATOM 102 C2' U A 7 -11.913 4.870 -6.174 1.00 0.54 C ATOM 103 O2' U A 7 -13.154 5.436 -5.741 1.00 0.61 O ATOM 104 C1' U A 7 -10.737 5.676 -5.637 1.00 0.56 C ATOM 105 N1 U A 7 -9.481 5.477 -6.392 1.00 0.53 N ATOM 106 C2 U A 7 -9.466 5.821 -7.732 1.00 0.52 C ATOM 107 O2 U A 7 -10.453 6.251 -8.323 1.00 0.56 O ATOM 108 N3 U A 7 -8.269 5.644 -8.383 1.00 0.52 N ATOM 109 C4 U A 7 -7.104 5.161 -7.832 1.00 0.51 C ATOM 110 O4 U A 7 -6.108 5.019 -8.534 1.00 0.52 O ATOM 111 C5 U A 7 -7.193 4.825 -6.433 1.00 0.52 C ATOM 112 C6 U A 7 -8.360 4.991 -5.770 1.00 0.53 C ATOM 0 H5' U A 7 -10.378 1.946 -3.486 1.00 0.69 H new ATOM 0 H5'' U A 7 -9.256 2.784 -4.540 1.00 0.69 H new ATOM 0 H4' U A 7 -11.844 3.780 -3.392 1.00 0.58 H new ATOM 0 H3' U A 7 -11.054 2.848 -6.116 1.00 0.53 H new ATOM 0 H2' U A 7 -11.974 4.834 -7.262 1.00 0.54 H new ATOM 0 HO2' U A 7 -13.689 4.748 -5.293 1.00 0.61 H new ATOM 0 H1' U A 7 -10.961 6.740 -5.711 1.00 0.56 H new ATOM 0 H3 U A 7 -8.241 5.895 -9.371 1.00 0.52 H new ATOM 0 H5 U A 7 -6.327 4.441 -5.914 1.00 0.52 H new ATOM 0 H6 U A 7 -8.410 4.734 -4.722 1.00 0.53 H new ATOM 123 P G A 8 -13.105 1.356 -4.942 1.00 0.54 P ATOM 124 OP1 G A 8 -14.293 1.158 -4.087 1.00 0.64 O ATOM 125 OP2 G A 8 -11.784 0.841 -4.515 1.00 0.63 O ATOM 126 O5' G A 8 -13.419 0.730 -6.400 1.00 0.43 O ATOM 127 C5' G A 8 -14.681 0.945 -7.050 1.00 0.42 C ATOM 128 C4' G A 8 -14.906 2.418 -7.390 1.00 0.43 C ATOM 129 O4' G A 8 -13.701 2.971 -7.886 1.00 0.42 O ATOM 130 C3' G A 8 -15.883 2.666 -8.520 1.00 0.44 C ATOM 131 O3' G A 8 -17.189 2.790 -7.944 1.00 0.55 O ATOM 132 C2' G A 8 -15.478 4.041 -9.055 1.00 0.46 C ATOM 133 O2' G A 8 -16.233 5.069 -8.406 1.00 0.58 O ATOM 134 C1' G A 8 -13.993 4.141 -8.661 1.00 0.43 C ATOM 135 N9 G A 8 -13.064 4.145 -9.807 1.00 0.39 N ATOM 136 C8 G A 8 -11.711 3.962 -9.778 1.00 0.40 C ATOM 137 N7 G A 8 -11.151 3.973 -10.953 1.00 0.40 N ATOM 138 C5 G A 8 -12.215 4.182 -11.826 1.00 0.37 C ATOM 139 C6 G A 8 -12.226 4.287 -13.243 1.00 0.37 C ATOM 140 O6 G A 8 -11.285 4.181 -14.019 1.00 0.39 O ATOM 141 N1 G A 8 -13.501 4.499 -13.729 1.00 0.40 N ATOM 142 C2 G A 8 -14.630 4.595 -12.958 1.00 0.43 C ATOM 143 N2 G A 8 -15.777 4.792 -13.590 1.00 0.51 N ATOM 144 N3 G A 8 -14.637 4.496 -11.630 1.00 0.42 N ATOM 145 C4 G A 8 -13.395 4.291 -11.133 1.00 0.38 C ATOM 0 H5' G A 8 -15.486 0.595 -6.404 1.00 0.42 H new ATOM 0 H5'' G A 8 -14.724 0.351 -7.963 1.00 0.42 H new ATOM 0 H4' G A 8 -15.281 2.852 -6.463 1.00 0.43 H new ATOM 0 H3' G A 8 -15.881 1.884 -9.280 1.00 0.44 H new ATOM 0 H2' G A 8 -15.652 4.158 -10.125 1.00 0.46 H new ATOM 0 HO2' G A 8 -16.967 4.665 -7.898 1.00 0.58 H new ATOM 0 H1' G A 8 -13.852 5.084 -8.133 1.00 0.43 H new ATOM 0 H8 G A 8 -11.156 3.821 -8.863 1.00 0.40 H new ATOM 0 H1 G A 8 -13.611 4.591 -14.739 1.00 0.40 H new ATOM 0 H21 G A 8 -16.645 4.870 -13.060 1.00 0.51 H new ATOM 0 H22 G A 8 -15.793 4.866 -14.607 1.00 0.51 H new ATOM 157 P G A 9 -18.227 1.555 -7.997 1.00 0.59 P ATOM 158 OP1 G A 9 -19.558 2.052 -7.584 1.00 0.75 O ATOM 159 OP2 G A 9 -17.612 0.408 -7.288 1.00 0.70 O ATOM 160 O5' G A 9 -18.282 1.205 -9.572 1.00 0.48 O ATOM 161 C5' G A 9 -17.530 0.107 -10.110 1.00 0.45 C ATOM 162 C4' G A 9 -17.433 0.177 -11.631 1.00 0.41 C ATOM 163 O4' G A 9 -16.755 1.385 -12.020 1.00 0.34 O ATOM 164 C3' G A 9 -16.592 -0.917 -12.268 1.00 0.46 C ATOM 165 O3' G A 9 -17.450 -2.033 -12.529 1.00 0.61 O ATOM 166 C2' G A 9 -16.227 -0.282 -13.597 1.00 0.41 C ATOM 167 O2' G A 9 -17.354 -0.251 -14.477 1.00 0.50 O ATOM 168 C1' G A 9 -15.862 1.120 -13.122 1.00 0.31 C ATOM 169 N9 G A 9 -14.476 1.203 -12.629 1.00 0.26 N ATOM 170 C8 G A 9 -14.045 1.269 -11.336 1.00 0.27 C ATOM 171 N7 G A 9 -12.753 1.313 -11.213 1.00 0.29 N ATOM 172 C5 G A 9 -12.294 1.275 -12.521 1.00 0.27 C ATOM 173 C6 G A 9 -10.967 1.297 -13.016 1.00 0.33 C ATOM 174 O6 G A 9 -9.922 1.351 -12.378 1.00 0.38 O ATOM 175 N1 G A 9 -10.935 1.240 -14.394 1.00 0.38 N ATOM 176 C2 G A 9 -12.042 1.175 -15.204 1.00 0.40 C ATOM 177 N2 G A 9 -11.826 1.124 -16.510 1.00 0.52 N ATOM 178 N3 G A 9 -13.295 1.155 -14.754 1.00 0.35 N ATOM 179 C4 G A 9 -13.344 1.208 -13.402 1.00 0.27 C ATOM 0 H5' G A 9 -18.000 -0.832 -9.819 1.00 0.45 H new ATOM 0 H5'' G A 9 -16.528 0.108 -9.682 1.00 0.45 H new ATOM 0 H4' G A 9 -18.468 0.097 -11.962 1.00 0.41 H new ATOM 0 H3' G A 9 -15.742 -1.251 -11.673 1.00 0.46 H new ATOM 0 H2' G A 9 -15.449 -0.797 -14.161 1.00 0.41 H new ATOM 0 HO2' G A 9 -17.911 -1.042 -14.323 1.00 0.50 H new ATOM 0 H1' G A 9 -15.948 1.830 -13.944 1.00 0.31 H new ATOM 0 H8 G A 9 -14.718 1.283 -10.491 1.00 0.27 H new ATOM 0 H1 G A 9 -10.020 1.247 -14.845 1.00 0.38 H new ATOM 0 H21 G A 9 -12.614 1.075 -17.156 1.00 0.52 H new ATOM 0 H22 G A 9 -10.872 1.134 -16.870 1.00 0.52 H new ATOM 191 P U A 10 -16.830 -3.505 -12.720 1.00 0.70 P ATOM 192 OP1 U A 10 -17.932 -4.489 -12.653 1.00 0.88 O ATOM 193 OP2 U A 10 -15.663 -3.634 -11.801 1.00 0.70 O ATOM 194 O5' U A 10 -16.282 -3.458 -14.236 1.00 0.68 O ATOM 195 C5' U A 10 -15.176 -4.271 -14.643 1.00 0.66 C ATOM 196 C4' U A 10 -14.552 -3.774 -15.946 1.00 0.61 C ATOM 197 O4' U A 10 -14.173 -2.400 -15.793 1.00 0.47 O ATOM 198 C3' U A 10 -13.271 -4.500 -16.340 1.00 0.61 C ATOM 199 O3' U A 10 -13.625 -5.454 -17.353 1.00 0.79 O ATOM 200 C2' U A 10 -12.443 -3.419 -17.013 1.00 0.59 C ATOM 201 O2' U A 10 -12.859 -3.234 -18.369 1.00 0.76 O ATOM 202 C1' U A 10 -12.806 -2.202 -16.169 1.00 0.47 C ATOM 203 N1 U A 10 -12.007 -2.061 -14.941 1.00 0.35 N ATOM 204 C2 U A 10 -10.626 -2.084 -15.044 1.00 0.38 C ATOM 205 O2 U A 10 -10.039 -2.221 -16.111 1.00 0.47 O ATOM 206 N3 U A 10 -9.935 -1.922 -13.865 1.00 0.33 N ATOM 207 C4 U A 10 -10.491 -1.739 -12.618 1.00 0.27 C ATOM 208 O4 U A 10 -9.766 -1.603 -11.636 1.00 0.31 O ATOM 209 C5 U A 10 -11.936 -1.726 -12.600 1.00 0.23 C ATOM 210 C6 U A 10 -12.629 -1.886 -13.742 1.00 0.28 C ATOM 0 H5' U A 10 -15.510 -5.301 -14.770 1.00 0.66 H new ATOM 0 H5'' U A 10 -14.420 -4.276 -13.857 1.00 0.66 H new ATOM 0 H4' U A 10 -15.311 -3.945 -16.710 1.00 0.61 H new ATOM 0 H3' U A 10 -12.765 -4.989 -15.508 1.00 0.61 H new ATOM 0 H2' U A 10 -11.375 -3.633 -17.061 1.00 0.59 H new ATOM 0 HO2' U A 10 -13.289 -4.052 -18.694 1.00 0.76 H new ATOM 0 H1' U A 10 -12.619 -1.300 -16.752 1.00 0.47 H new ATOM 0 H3 U A 10 -8.917 -1.939 -13.920 1.00 0.33 H new ATOM 0 H5 U A 10 -12.461 -1.587 -11.667 1.00 0.23 H new ATOM 0 H6 U A 10 -13.708 -1.875 -13.707 1.00 0.28 H new ATOM 221 P U A 11 -13.368 -7.028 -17.126 1.00 0.89 P ATOM 222 OP1 U A 11 -13.781 -7.747 -18.353 1.00 1.10 O ATOM 223 OP2 U A 11 -13.943 -7.407 -15.817 1.00 0.96 O ATOM 224 O5' U A 11 -11.763 -7.102 -17.010 1.00 0.77 O ATOM 225 C5' U A 11 -10.928 -6.877 -18.153 1.00 0.82 C ATOM 226 C4' U A 11 -9.474 -6.663 -17.745 1.00 0.68 C ATOM 227 O4' U A 11 -9.380 -5.492 -16.938 1.00 0.57 O ATOM 228 C3' U A 11 -8.901 -7.756 -16.866 1.00 0.61 C ATOM 229 O3' U A 11 -8.309 -8.724 -17.747 1.00 0.74 O ATOM 230 C2' U A 11 -7.767 -7.048 -16.132 1.00 0.50 C ATOM 231 O2' U A 11 -6.567 -7.079 -16.909 1.00 0.63 O ATOM 232 C1' U A 11 -8.294 -5.610 -16.005 1.00 0.48 C ATOM 233 N1 U A 11 -8.803 -5.299 -14.651 1.00 0.38 N ATOM 234 C2 U A 11 -7.882 -5.225 -13.623 1.00 0.34 C ATOM 235 O2 U A 11 -6.681 -5.428 -13.785 1.00 0.38 O ATOM 236 N3 U A 11 -8.386 -4.917 -12.382 1.00 0.28 N ATOM 237 C4 U A 11 -9.707 -4.687 -12.072 1.00 0.28 C ATOM 238 O4 U A 11 -10.028 -4.423 -10.913 1.00 0.29 O ATOM 239 C5 U A 11 -10.614 -4.782 -13.191 1.00 0.34 C ATOM 240 C6 U A 11 -10.139 -5.079 -14.427 1.00 0.38 C ATOM 0 H5' U A 11 -11.286 -6.006 -18.701 1.00 0.82 H new ATOM 0 H5'' U A 11 -10.996 -7.729 -18.829 1.00 0.82 H new ATOM 0 H4' U A 11 -8.928 -6.620 -18.687 1.00 0.68 H new ATOM 0 H3' U A 11 -9.624 -8.232 -16.204 1.00 0.61 H new ATOM 0 H2' U A 11 -7.516 -7.505 -15.175 1.00 0.50 H new ATOM 0 HO2' U A 11 -6.686 -7.684 -17.671 1.00 0.63 H new ATOM 0 H1' U A 11 -7.477 -4.916 -16.202 1.00 0.48 H new ATOM 0 H3 U A 11 -7.716 -4.853 -11.616 1.00 0.28 H new ATOM 0 H5 U A 11 -11.671 -4.617 -13.044 1.00 0.34 H new ATOM 0 H6 U A 11 -10.829 -5.144 -15.255 1.00 0.38 H new ATOM 251 P U A 12 -8.344 -10.298 -17.405 1.00 0.81 P ATOM 252 OP1 U A 12 -8.103 -11.047 -18.658 1.00 1.02 O ATOM 253 OP2 U A 12 -9.559 -10.572 -16.604 1.00 0.83 O ATOM 254 O5' U A 12 -7.056 -10.478 -16.455 1.00 0.81 O ATOM 255 C5' U A 12 -7.186 -11.041 -15.143 1.00 0.69 C ATOM 256 C4' U A 12 -5.862 -11.023 -14.386 1.00 0.59 C ATOM 257 O4' U A 12 -5.399 -9.666 -14.238 1.00 0.54 O ATOM 258 C3' U A 12 -5.936 -11.518 -12.952 1.00 0.52 C ATOM 259 O3' U A 12 -5.740 -12.939 -12.956 1.00 0.62 O ATOM 260 C2' U A 12 -4.709 -10.869 -12.357 1.00 0.47 C ATOM 261 O2' U A 12 -3.505 -11.453 -12.870 1.00 0.54 O ATOM 262 C1' U A 12 -4.896 -9.468 -12.900 1.00 0.46 C ATOM 263 N1 U A 12 -5.894 -8.718 -12.120 1.00 0.39 N ATOM 264 C2 U A 12 -5.521 -8.248 -10.876 1.00 0.36 C ATOM 265 O2 U A 12 -4.396 -8.388 -10.424 1.00 0.40 O ATOM 266 N3 U A 12 -6.496 -7.596 -10.162 1.00 0.34 N ATOM 267 C4 U A 12 -7.788 -7.376 -10.573 1.00 0.34 C ATOM 268 O4 U A 12 -8.555 -6.738 -9.859 1.00 0.36 O ATOM 269 C5 U A 12 -8.102 -7.901 -11.879 1.00 0.37 C ATOM 270 C6 U A 12 -7.159 -8.538 -12.597 1.00 0.40 C ATOM 0 H5' U A 12 -7.546 -12.067 -15.222 1.00 0.69 H new ATOM 0 H5'' U A 12 -7.934 -10.483 -14.580 1.00 0.69 H new ATOM 0 H4' U A 12 -5.220 -11.674 -14.979 1.00 0.59 H new ATOM 0 H3' U A 12 -6.870 -11.298 -12.435 1.00 0.52 H new ATOM 0 H2' U A 12 -4.616 -10.955 -11.274 1.00 0.47 H new ATOM 0 HO2' U A 12 -3.326 -12.297 -12.404 1.00 0.54 H new ATOM 0 H1' U A 12 -3.967 -8.899 -12.860 1.00 0.46 H new ATOM 0 H3 U A 12 -6.237 -7.242 -9.241 1.00 0.34 H new ATOM 0 H5 U A 12 -9.097 -7.783 -12.282 1.00 0.37 H new ATOM 0 H6 U A 12 -7.410 -8.917 -13.577 1.00 0.40 H new ATOM 281 P A A 13 -6.954 -13.938 -12.593 1.00 0.69 P ATOM 282 OP1 A A 13 -7.107 -14.904 -13.703 1.00 0.83 O ATOM 283 OP2 A A 13 -8.114 -13.123 -12.161 1.00 0.71 O ATOM 284 O5' A A 13 -6.384 -14.732 -11.309 1.00 0.70 O ATOM 285 C5' A A 13 -7.189 -14.921 -10.134 1.00 0.66 C ATOM 286 C4' A A 13 -6.548 -14.280 -8.905 1.00 0.55 C ATOM 287 O4' A A 13 -5.238 -14.836 -8.715 1.00 0.54 O ATOM 288 C3' A A 13 -6.309 -12.782 -9.022 1.00 0.48 C ATOM 289 O3' A A 13 -7.437 -12.119 -8.432 1.00 0.48 O ATOM 290 C2' A A 13 -5.122 -12.560 -8.100 1.00 0.44 C ATOM 291 O2' A A 13 -5.534 -12.494 -6.733 1.00 0.46 O ATOM 292 C1' A A 13 -4.297 -13.813 -8.348 1.00 0.46 C ATOM 293 N9 A A 13 -3.323 -13.646 -9.438 1.00 0.44 N ATOM 294 C8 A A 13 -3.540 -13.676 -10.788 1.00 0.46 C ATOM 295 N7 A A 13 -2.458 -13.502 -11.494 1.00 0.47 N ATOM 296 C5 A A 13 -1.458 -13.345 -10.540 1.00 0.45 C ATOM 297 C6 A A 13 -0.075 -13.123 -10.634 1.00 0.48 C ATOM 298 N6 A A 13 0.575 -13.005 -11.788 1.00 0.54 N ATOM 299 N1 A A 13 0.622 -13.015 -9.494 1.00 0.50 N ATOM 300 C2 A A 13 -0.020 -13.121 -8.336 1.00 0.48 C ATOM 301 N3 A A 13 -1.308 -13.328 -8.113 1.00 0.45 N ATOM 302 C4 A A 13 -1.976 -13.431 -9.281 1.00 0.43 C ATOM 0 H5' A A 13 -7.331 -15.987 -9.957 1.00 0.66 H new ATOM 0 H5'' A A 13 -8.177 -14.491 -10.296 1.00 0.66 H new ATOM 0 H4' A A 13 -7.251 -14.472 -8.094 1.00 0.55 H new ATOM 0 H3' A A 13 -6.158 -12.431 -10.043 1.00 0.48 H new ATOM 0 H2' A A 13 -4.590 -11.627 -8.288 1.00 0.44 H new ATOM 0 HO2' A A 13 -6.512 -12.520 -6.685 1.00 0.46 H new ATOM 0 H1' A A 13 -3.723 -14.055 -7.454 1.00 0.46 H new ATOM 0 H8 A A 13 -4.515 -13.829 -11.227 1.00 0.46 H new ATOM 0 H61 A A 13 1.582 -12.844 -11.792 1.00 0.54 H new ATOM 0 H62 A A 13 0.066 -13.075 -12.669 1.00 0.54 H new ATOM 0 H2 A A 13 0.595 -13.025 -7.453 1.00 0.48 H new ATOM 314 P G A 14 -7.697 -10.548 -8.676 1.00 0.45 P ATOM 315 OP1 G A 14 -8.909 -10.146 -7.918 1.00 0.50 O ATOM 316 OP2 G A 14 -7.625 -10.284 -10.129 1.00 0.46 O ATOM 317 O5' G A 14 -6.421 -9.841 -7.981 1.00 0.40 O ATOM 318 C5' G A 14 -6.230 -9.895 -6.557 1.00 0.46 C ATOM 319 C4' G A 14 -4.791 -9.555 -6.161 1.00 0.45 C ATOM 320 O4' G A 14 -3.886 -10.384 -6.883 1.00 0.42 O ATOM 321 C3' G A 14 -4.335 -8.159 -6.526 1.00 0.44 C ATOM 322 O3' G A 14 -4.661 -7.310 -5.419 1.00 0.52 O ATOM 323 C2' G A 14 -2.814 -8.286 -6.557 1.00 0.45 C ATOM 324 O2' G A 14 -2.260 -8.032 -5.262 1.00 0.55 O ATOM 325 C1' G A 14 -2.595 -9.754 -6.946 1.00 0.41 C ATOM 326 N9 G A 14 -2.051 -9.909 -8.310 1.00 0.37 N ATOM 327 C8 G A 14 -2.719 -10.217 -9.462 1.00 0.35 C ATOM 328 N7 G A 14 -1.953 -10.280 -10.515 1.00 0.39 N ATOM 329 C5 G A 14 -0.686 -9.990 -10.024 1.00 0.42 C ATOM 330 C6 G A 14 0.562 -9.907 -10.702 1.00 0.50 C ATOM 331 O6 G A 14 0.801 -10.090 -11.892 1.00 0.55 O ATOM 332 N1 G A 14 1.589 -9.588 -9.837 1.00 0.56 N ATOM 333 C2 G A 14 1.448 -9.377 -8.490 1.00 0.55 C ATOM 334 N2 G A 14 2.544 -9.078 -7.810 1.00 0.65 N ATOM 335 N3 G A 14 0.290 -9.452 -7.840 1.00 0.49 N ATOM 336 C4 G A 14 -0.734 -9.761 -8.670 1.00 0.41 C ATOM 0 H5' G A 14 -6.480 -10.892 -6.195 1.00 0.46 H new ATOM 0 H5'' G A 14 -6.914 -9.199 -6.072 1.00 0.46 H new ATOM 0 H4' G A 14 -4.788 -9.682 -5.078 1.00 0.45 H new ATOM 0 H3' G A 14 -4.769 -7.775 -7.449 1.00 0.44 H new ATOM 0 H2' G A 14 -2.340 -7.579 -7.239 1.00 0.45 H new ATOM 0 HO2' G A 14 -1.282 -8.008 -5.323 1.00 0.55 H new ATOM 0 H1' G A 14 -1.868 -10.201 -6.268 1.00 0.41 H new ATOM 0 H8 G A 14 -3.784 -10.392 -9.497 1.00 0.35 H new ATOM 0 H1 G A 14 2.526 -9.503 -10.231 1.00 0.56 H new ATOM 0 H21 G A 14 2.491 -8.912 -6.805 1.00 0.65 H new ATOM 0 H22 G A 14 3.441 -9.014 -8.291 1.00 0.65 H new ATOM 348 P G A 15 -5.997 -6.421 -5.422 1.00 0.49 P ATOM 349 OP1 G A 15 -7.018 -7.096 -4.592 1.00 0.63 O ATOM 350 OP2 G A 15 -6.316 -6.074 -6.830 1.00 0.42 O ATOM 351 O5' G A 15 -5.528 -5.079 -4.659 1.00 0.54 O ATOM 352 C5' G A 15 -5.102 -3.924 -5.395 1.00 0.54 C ATOM 353 C4' G A 15 -3.952 -4.243 -6.349 1.00 0.50 C ATOM 354 O4' G A 15 -3.804 -3.155 -7.278 1.00 0.52 O ATOM 355 C3' G A 15 -2.579 -4.385 -5.705 1.00 0.56 C ATOM 356 O3' G A 15 -1.780 -5.137 -6.637 1.00 0.54 O ATOM 357 C2' G A 15 -2.077 -2.945 -5.693 1.00 0.64 C ATOM 358 O2' G A 15 -0.648 -2.883 -5.615 1.00 0.72 O ATOM 359 C1' G A 15 -2.567 -2.457 -7.051 1.00 0.60 C ATOM 360 N9 G A 15 -2.830 -1.003 -7.065 1.00 0.63 N ATOM 361 C8 G A 15 -2.128 -0.012 -7.701 1.00 0.71 C ATOM 362 N7 G A 15 -2.608 1.184 -7.497 1.00 0.74 N ATOM 363 C5 G A 15 -3.705 0.969 -6.669 1.00 0.67 C ATOM 364 C6 G A 15 -4.626 1.899 -6.109 1.00 0.68 C ATOM 365 O6 G A 15 -4.677 3.116 -6.264 1.00 0.74 O ATOM 366 N1 G A 15 -5.576 1.267 -5.333 1.00 0.64 N ATOM 367 C2 G A 15 -5.647 -0.085 -5.123 1.00 0.60 C ATOM 368 N2 G A 15 -6.651 -0.523 -4.379 1.00 0.60 N ATOM 369 N3 G A 15 -4.797 -0.968 -5.637 1.00 0.58 N ATOM 370 C4 G A 15 -3.850 -0.369 -6.399 1.00 0.61 C ATOM 0 H5' G A 15 -4.790 -3.146 -4.699 1.00 0.54 H new ATOM 0 H5'' G A 15 -5.943 -3.525 -5.962 1.00 0.54 H new ATOM 0 H4' G A 15 -4.228 -5.201 -6.790 1.00 0.50 H new ATOM 0 H3' G A 15 -2.563 -4.861 -4.724 1.00 0.56 H new ATOM 0 H2' G A 15 -2.426 -2.360 -4.842 1.00 0.64 H new ATOM 0 HO2' G A 15 -0.321 -3.594 -5.025 1.00 0.72 H new ATOM 0 H1' G A 15 -1.812 -2.645 -7.814 1.00 0.60 H new ATOM 0 H8 G A 15 -1.259 -0.203 -8.313 1.00 0.71 H new ATOM 0 H1 G A 15 -6.279 1.851 -4.881 1.00 0.64 H new ATOM 0 H21 G A 15 -6.750 -1.521 -4.192 1.00 0.60 H new ATOM 0 H22 G A 15 -7.326 0.138 -3.993 1.00 0.60 H new ATOM 382 P U A 16 -0.327 -5.720 -6.244 1.00 0.61 P ATOM 383 OP1 U A 16 -0.294 -7.162 -6.559 1.00 0.74 O ATOM 384 OP2 U A 16 0.016 -5.261 -4.881 1.00 0.73 O ATOM 385 O5' U A 16 0.634 -4.957 -7.291 1.00 0.75 O ATOM 386 C5' U A 16 0.114 -4.428 -8.520 1.00 0.67 C ATOM 387 C4' U A 16 0.372 -5.354 -9.706 1.00 0.60 C ATOM 388 O4' U A 16 -0.492 -6.503 -9.630 1.00 0.54 O ATOM 389 C3' U A 16 0.055 -4.744 -11.065 1.00 0.58 C ATOM 390 O3' U A 16 1.262 -4.146 -11.566 1.00 0.67 O ATOM 391 C2' U A 16 -0.239 -5.978 -11.898 1.00 0.55 C ATOM 392 O2' U A 16 0.963 -6.692 -12.204 1.00 0.63 O ATOM 393 C1' U A 16 -1.099 -6.754 -10.914 1.00 0.49 C ATOM 394 N1 U A 16 -2.491 -6.266 -10.874 1.00 0.42 N ATOM 395 C2 U A 16 -3.207 -6.222 -12.059 1.00 0.42 C ATOM 396 O2 U A 16 -2.742 -6.594 -13.130 1.00 0.50 O ATOM 397 N3 U A 16 -4.490 -5.730 -11.970 1.00 0.37 N ATOM 398 C4 U A 16 -5.109 -5.287 -10.820 1.00 0.33 C ATOM 399 O4 U A 16 -6.269 -4.883 -10.863 1.00 0.32 O ATOM 400 C5 U A 16 -4.301 -5.369 -9.630 1.00 0.35 C ATOM 401 C6 U A 16 -3.038 -5.850 -9.698 1.00 0.39 C ATOM 0 H5' U A 16 0.568 -3.456 -8.715 1.00 0.67 H new ATOM 0 H5'' U A 16 -0.959 -4.264 -8.417 1.00 0.67 H new ATOM 0 H4' U A 16 1.436 -5.581 -9.638 1.00 0.60 H new ATOM 0 H3' U A 16 -0.742 -4.000 -11.060 1.00 0.58 H new ATOM 0 H2' U A 16 -0.700 -5.784 -12.867 1.00 0.55 H new ATOM 0 HO2' U A 16 1.424 -6.253 -12.949 1.00 0.63 H new ATOM 0 H1' U A 16 -1.144 -7.807 -11.194 1.00 0.49 H new ATOM 0 H3 U A 16 -5.032 -5.690 -12.833 1.00 0.37 H new ATOM 0 H5 U A 16 -4.704 -5.046 -8.682 1.00 0.35 H new ATOM 0 H6 U A 16 -2.448 -5.906 -8.795 1.00 0.39 H new ATOM 412 P A A 17 1.307 -3.503 -13.045 1.00 0.71 P ATOM 413 OP1 A A 17 2.667 -2.969 -13.278 1.00 0.85 O ATOM 414 OP2 A A 17 0.127 -2.622 -13.199 1.00 0.72 O ATOM 415 O5' A A 17 1.106 -4.803 -13.976 1.00 0.68 O ATOM 416 C5' A A 17 1.150 -4.730 -15.405 1.00 0.73 C ATOM 417 C4' A A 17 -0.149 -4.189 -16.005 1.00 0.69 C ATOM 418 O4' A A 17 -1.264 -4.561 -15.194 1.00 0.58 O ATOM 419 C3' A A 17 -0.290 -2.684 -16.038 1.00 0.76 C ATOM 420 O3' A A 17 0.398 -2.209 -17.206 1.00 0.92 O ATOM 421 C2' A A 17 -1.786 -2.519 -16.284 1.00 0.71 C ATOM 422 O2' A A 17 -2.073 -2.565 -17.685 1.00 0.80 O ATOM 423 C1' A A 17 -2.387 -3.747 -15.580 1.00 0.59 C ATOM 424 N9 A A 17 -3.203 -3.398 -14.392 1.00 0.51 N ATOM 425 C8 A A 17 -2.845 -3.339 -13.064 1.00 0.49 C ATOM 426 N7 A A 17 -3.831 -3.009 -12.272 1.00 0.45 N ATOM 427 C5 A A 17 -4.910 -2.842 -13.134 1.00 0.42 C ATOM 428 C6 A A 17 -6.257 -2.491 -12.924 1.00 0.37 C ATOM 429 N6 A A 17 -6.785 -2.269 -11.723 1.00 0.35 N ATOM 430 N1 A A 17 -7.059 -2.411 -13.993 1.00 0.38 N ATOM 431 C2 A A 17 -6.555 -2.667 -15.194 1.00 0.44 C ATOM 432 N3 A A 17 -5.319 -3.005 -15.525 1.00 0.50 N ATOM 433 C4 A A 17 -4.539 -3.075 -14.426 1.00 0.47 C ATOM 0 H5' A A 17 1.348 -5.722 -15.810 1.00 0.73 H new ATOM 0 H5'' A A 17 1.980 -4.091 -15.707 1.00 0.73 H new ATOM 0 H4' A A 17 -0.122 -4.599 -17.015 1.00 0.69 H new ATOM 0 H3' A A 17 0.089 -2.168 -15.155 1.00 0.76 H new ATOM 0 H2' A A 17 -2.180 -1.570 -15.920 1.00 0.71 H new ATOM 0 HO2' A A 17 -1.955 -1.673 -18.073 1.00 0.80 H new ATOM 0 H1' A A 17 -3.071 -4.263 -16.254 1.00 0.59 H new ATOM 0 H8 A A 17 -1.846 -3.546 -12.711 1.00 0.49 H new ATOM 0 H61 A A 17 -7.770 -2.017 -11.637 1.00 0.35 H new ATOM 0 H62 A A 17 -6.205 -2.350 -10.888 1.00 0.35 H new ATOM 0 H2 A A 17 -7.251 -2.588 -16.016 1.00 0.44 H new ATOM 445 P A A 18 0.950 -0.694 -17.291 1.00 1.08 P ATOM 446 OP1 A A 18 0.755 -0.206 -18.676 1.00 1.22 O ATOM 447 OP2 A A 18 2.300 -0.663 -16.685 1.00 1.20 O ATOM 448 O5' A A 18 -0.056 0.112 -16.317 1.00 1.00 O ATOM 449 C5' A A 18 -0.722 1.315 -16.738 1.00 1.06 C ATOM 450 C4' A A 18 -1.743 1.048 -17.844 1.00 1.03 C ATOM 451 O4' A A 18 -2.471 -0.143 -17.529 1.00 0.86 O ATOM 452 C3' A A 18 -2.817 2.119 -17.991 1.00 1.06 C ATOM 453 O3' A A 18 -2.394 3.030 -19.013 1.00 1.23 O ATOM 454 C2' A A 18 -3.990 1.331 -18.543 1.00 0.99 C ATOM 455 O2' A A 18 -3.806 1.058 -19.936 1.00 1.12 O ATOM 456 C1' A A 18 -3.878 0.052 -17.722 1.00 0.82 C ATOM 457 N9 A A 18 -4.523 0.154 -16.400 1.00 0.68 N ATOM 458 C8 A A 18 -3.954 0.014 -15.161 1.00 0.63 C ATOM 459 N7 A A 18 -4.796 0.162 -14.178 1.00 0.53 N ATOM 460 C5 A A 18 -6.004 0.413 -14.817 1.00 0.51 C ATOM 461 C6 A A 18 -7.293 0.657 -14.334 1.00 0.45 C ATOM 462 N6 A A 18 -7.588 0.691 -13.042 1.00 0.42 N ATOM 463 N1 A A 18 -8.270 0.868 -15.228 1.00 0.47 N ATOM 464 C2 A A 18 -7.974 0.835 -16.523 1.00 0.56 C ATOM 465 N3 A A 18 -6.804 0.617 -17.104 1.00 0.63 N ATOM 466 C4 A A 18 -5.850 0.411 -16.172 1.00 0.60 C ATOM 0 H5' A A 18 0.017 2.033 -17.093 1.00 1.06 H new ATOM 0 H5'' A A 18 -1.224 1.770 -15.884 1.00 1.06 H new ATOM 0 H4' A A 18 -1.153 0.999 -18.759 1.00 1.03 H new ATOM 0 H3' A A 18 -3.029 2.668 -17.073 1.00 1.06 H new ATOM 0 H2' A A 18 -4.954 1.836 -18.473 1.00 0.99 H new ATOM 0 HO2' A A 18 -3.121 1.657 -20.299 1.00 1.12 H new ATOM 0 H1' A A 18 -4.376 -0.766 -18.243 1.00 0.82 H new ATOM 0 H8 A A 18 -2.906 -0.199 -15.013 1.00 0.63 H new ATOM 0 H61 A A 18 -8.546 0.873 -12.742 1.00 0.42 H new ATOM 0 H62 A A 18 -6.857 0.535 -12.348 1.00 0.42 H new ATOM 0 H2 A A 18 -8.802 1.010 -17.194 1.00 0.56 H new ATOM 478 P U A 19 -1.811 4.480 -18.625 1.00 1.01 P ATOM 479 OP1 U A 19 -2.170 5.430 -19.702 1.00 1.15 O ATOM 480 OP2 U A 19 -0.394 4.317 -18.228 1.00 1.47 O ATOM 481 O5' U A 19 -2.664 4.857 -17.306 1.00 0.92 O ATOM 482 C5' U A 19 -3.765 5.776 -17.358 1.00 0.86 C ATOM 483 C4' U A 19 -4.937 5.238 -18.180 1.00 0.74 C ATOM 484 O4' U A 19 -5.333 3.957 -17.668 1.00 0.64 O ATOM 485 C3' U A 19 -6.195 6.093 -18.105 1.00 0.70 C ATOM 486 O3' U A 19 -6.194 6.944 -19.261 1.00 0.80 O ATOM 487 C2' U A 19 -7.314 5.081 -18.293 1.00 0.62 C ATOM 488 O2' U A 19 -7.491 4.779 -19.681 1.00 0.70 O ATOM 489 C1' U A 19 -6.763 3.871 -17.545 1.00 0.58 C ATOM 490 N1 U A 19 -7.114 3.860 -16.110 1.00 0.52 N ATOM 491 C2 U A 19 -8.453 3.804 -15.770 1.00 0.50 C ATOM 492 O2 U A 19 -9.350 3.749 -16.605 1.00 0.54 O ATOM 493 N3 U A 19 -8.730 3.785 -14.423 1.00 0.48 N ATOM 494 C4 U A 19 -7.808 3.810 -13.401 1.00 0.49 C ATOM 495 O4 U A 19 -8.185 3.777 -12.230 1.00 0.51 O ATOM 496 C5 U A 19 -6.432 3.867 -13.834 1.00 0.53 C ATOM 497 C6 U A 19 -6.138 3.890 -15.155 1.00 0.55 C ATOM 0 H5' U A 19 -3.427 6.719 -17.787 1.00 0.86 H new ATOM 0 H5'' U A 19 -4.104 5.990 -16.344 1.00 0.86 H new ATOM 0 H4' U A 19 -4.572 5.215 -19.207 1.00 0.74 H new ATOM 0 H3' U A 19 -6.280 6.684 -17.193 1.00 0.70 H new ATOM 0 H2' U A 19 -8.287 5.419 -17.937 1.00 0.62 H new ATOM 0 HO2' U A 19 -7.099 5.495 -20.224 1.00 0.70 H new ATOM 0 H1' U A 19 -7.188 2.962 -17.970 1.00 0.58 H new ATOM 0 H3 U A 19 -9.714 3.749 -14.155 1.00 0.48 H new ATOM 0 H5 U A 19 -5.637 3.891 -13.104 1.00 0.53 H new ATOM 0 H6 U A 19 -5.104 3.933 -15.462 1.00 0.55 H new ATOM 508 P G A 20 -6.526 8.517 -19.138 1.00 0.80 P ATOM 509 OP1 G A 20 -6.271 9.144 -20.453 1.00 0.91 O ATOM 510 OP2 G A 20 -5.850 9.039 -17.928 1.00 0.87 O ATOM 511 O5' G A 20 -8.118 8.523 -18.876 1.00 0.72 O ATOM 512 C5' G A 20 -8.666 9.181 -17.728 1.00 0.69 C ATOM 513 C4' G A 20 -10.156 8.889 -17.562 1.00 0.62 C ATOM 514 O4' G A 20 -10.342 7.478 -17.341 1.00 0.57 O ATOM 515 C3' G A 20 -10.794 9.547 -16.342 1.00 0.66 C ATOM 516 O3' G A 20 -11.422 10.759 -16.777 1.00 0.73 O ATOM 517 C2' G A 20 -11.893 8.566 -15.984 1.00 0.61 C ATOM 518 O2' G A 20 -12.980 8.652 -16.912 1.00 0.65 O ATOM 519 C1' G A 20 -11.127 7.267 -16.156 1.00 0.54 C ATOM 520 N9 G A 20 -10.216 7.001 -15.030 1.00 0.53 N ATOM 521 C8 G A 20 -8.880 6.711 -15.067 1.00 0.54 C ATOM 522 N7 G A 20 -8.349 6.535 -13.889 1.00 0.55 N ATOM 523 C5 G A 20 -9.411 6.724 -13.012 1.00 0.53 C ATOM 524 C6 G A 20 -9.448 6.659 -11.593 1.00 0.55 C ATOM 525 O6 G A 20 -8.534 6.392 -10.819 1.00 0.59 O ATOM 526 N1 G A 20 -10.714 6.916 -11.103 1.00 0.55 N ATOM 527 C2 G A 20 -11.814 7.195 -11.871 1.00 0.56 C ATOM 528 N2 G A 20 -12.954 7.415 -11.232 1.00 0.61 N ATOM 529 N3 G A 20 -11.799 7.257 -13.201 1.00 0.55 N ATOM 530 C4 G A 20 -10.563 7.011 -13.702 1.00 0.52 C ATOM 0 H5' G A 20 -8.515 10.257 -17.819 1.00 0.69 H new ATOM 0 H5'' G A 20 -8.131 8.859 -16.835 1.00 0.69 H new ATOM 0 H4' G A 20 -10.617 9.274 -18.471 1.00 0.62 H new ATOM 0 H3' G A 20 -10.098 9.764 -15.532 1.00 0.66 H new ATOM 0 H2' G A 20 -12.354 8.712 -15.007 1.00 0.61 H new ATOM 0 HO2' G A 20 -13.007 9.551 -17.302 1.00 0.65 H new ATOM 0 H1' G A 20 -11.809 6.418 -16.211 1.00 0.54 H new ATOM 0 H8 G A 20 -8.317 6.635 -15.986 1.00 0.54 H new ATOM 0 H1 G A 20 -10.840 6.897 -10.091 1.00 0.55 H new ATOM 0 H21 G A 20 -13.801 7.627 -11.759 1.00 0.61 H new ATOM 0 H22 G A 20 -12.984 7.372 -10.213 1.00 0.61 H new ATOM 542 P A A 21 -11.449 12.053 -15.817 1.00 0.98 P ATOM 543 OP1 A A 21 -12.424 13.021 -16.373 1.00 1.10 O ATOM 544 OP2 A A 21 -10.052 12.476 -15.570 1.00 1.18 O ATOM 545 O5' A A 21 -12.047 11.462 -14.440 1.00 0.96 O ATOM 546 C5' A A 21 -13.455 11.502 -14.166 1.00 0.97 C ATOM 547 C4' A A 21 -13.733 11.459 -12.665 1.00 0.78 C ATOM 548 O4' A A 21 -13.272 10.209 -12.132 1.00 0.72 O ATOM 549 C3' A A 21 -12.994 12.516 -11.856 1.00 0.63 C ATOM 550 O3' A A 21 -13.886 13.632 -11.713 1.00 0.70 O ATOM 551 C2' A A 21 -12.853 11.859 -10.492 1.00 0.55 C ATOM 552 O2' A A 21 -14.067 11.975 -9.744 1.00 0.65 O ATOM 553 C1' A A 21 -12.588 10.406 -10.883 1.00 0.60 C ATOM 554 N9 A A 21 -11.153 10.121 -11.081 1.00 0.53 N ATOM 555 C8 A A 21 -10.436 10.101 -12.250 1.00 0.56 C ATOM 556 N7 A A 21 -9.178 9.799 -12.085 1.00 0.54 N ATOM 557 C5 A A 21 -9.059 9.609 -10.712 1.00 0.47 C ATOM 558 C6 A A 21 -7.973 9.266 -9.889 1.00 0.47 C ATOM 559 N6 A A 21 -6.745 9.040 -10.348 1.00 0.53 N ATOM 560 N1 A A 21 -8.197 9.158 -8.570 1.00 0.47 N ATOM 561 C2 A A 21 -9.422 9.378 -8.105 1.00 0.49 C ATOM 562 N3 A A 21 -10.520 9.703 -8.770 1.00 0.50 N ATOM 563 C4 A A 21 -10.257 9.803 -10.090 1.00 0.47 C ATOM 0 H5' A A 21 -13.946 10.659 -14.653 1.00 0.97 H new ATOM 0 H5'' A A 21 -13.884 12.409 -14.591 1.00 0.97 H new ATOM 0 H4' A A 21 -14.807 11.621 -12.578 1.00 0.78 H new ATOM 0 H3' A A 21 -12.049 12.842 -12.290 1.00 0.63 H new ATOM 0 H2' A A 21 -12.082 12.299 -9.859 1.00 0.55 H new ATOM 0 HO2' A A 21 -14.182 12.902 -9.448 1.00 0.65 H new ATOM 0 H1' A A 21 -12.932 9.745 -10.088 1.00 0.60 H new ATOM 0 H8 A A 21 -10.871 10.315 -13.215 1.00 0.56 H new ATOM 0 H61 A A 21 -5.996 8.794 -9.701 1.00 0.53 H new ATOM 0 H62 A A 21 -6.553 9.113 -11.347 1.00 0.53 H new ATOM 0 H2 A A 21 -9.538 9.278 -7.036 1.00 0.49 H new ATOM 575 P G A 22 -13.380 15.024 -11.080 1.00 0.68 P ATOM 576 OP1 G A 22 -14.460 16.023 -11.240 1.00 0.90 O ATOM 577 OP2 G A 22 -12.027 15.311 -11.611 1.00 0.76 O ATOM 578 O5' G A 22 -13.248 14.672 -9.512 1.00 0.56 O ATOM 579 C5' G A 22 -12.184 15.225 -8.729 1.00 0.55 C ATOM 580 C4' G A 22 -12.070 14.546 -7.368 1.00 0.60 C ATOM 581 O4' G A 22 -11.746 13.159 -7.555 1.00 0.54 O ATOM 582 C3' G A 22 -10.951 15.082 -6.486 1.00 0.73 C ATOM 583 O3' G A 22 -11.537 16.084 -5.640 1.00 0.95 O ATOM 584 C2' G A 22 -10.608 13.881 -5.620 1.00 0.74 C ATOM 585 O2' G A 22 -11.569 13.723 -4.571 1.00 0.94 O ATOM 586 C1' G A 22 -10.715 12.748 -6.640 1.00 0.56 C ATOM 587 N9 G A 22 -9.467 12.538 -7.404 1.00 0.45 N ATOM 588 C8 G A 22 -9.251 12.718 -8.747 1.00 0.45 C ATOM 589 N7 G A 22 -8.039 12.425 -9.127 1.00 0.49 N ATOM 590 C5 G A 22 -7.407 12.023 -7.955 1.00 0.47 C ATOM 591 C6 G A 22 -6.072 11.584 -7.745 1.00 0.55 C ATOM 592 O6 G A 22 -5.171 11.454 -8.566 1.00 0.67 O ATOM 593 N1 G A 22 -5.840 11.274 -6.420 1.00 0.56 N ATOM 594 C2 G A 22 -6.768 11.369 -5.414 1.00 0.55 C ATOM 595 N2 G A 22 -6.372 11.018 -4.198 1.00 0.65 N ATOM 596 N3 G A 22 -8.024 11.778 -5.594 1.00 0.52 N ATOM 597 C4 G A 22 -8.273 12.089 -6.891 1.00 0.45 C ATOM 0 H5' G A 22 -12.353 16.293 -8.589 1.00 0.55 H new ATOM 0 H5'' G A 22 -11.243 15.119 -9.268 1.00 0.55 H new ATOM 0 H4' G A 22 -13.031 14.729 -6.887 1.00 0.60 H new ATOM 0 H3' G A 22 -10.098 15.495 -7.025 1.00 0.73 H new ATOM 0 H2' G A 22 -9.643 13.942 -5.117 1.00 0.74 H new ATOM 0 HO2' G A 22 -12.022 14.577 -4.411 1.00 0.94 H new ATOM 0 H1' G A 22 -10.924 11.810 -6.126 1.00 0.56 H new ATOM 0 H8 G A 22 -10.014 13.070 -9.426 1.00 0.45 H new ATOM 0 H1 G A 22 -4.906 10.949 -6.169 1.00 0.56 H new ATOM 0 H21 G A 22 -7.023 11.070 -3.415 1.00 0.65 H new ATOM 0 H22 G A 22 -5.416 10.696 -4.046 1.00 0.65 H new ATOM 609 P U A 23 -10.630 17.188 -4.894 1.00 1.11 P ATOM 610 OP1 U A 23 -11.406 18.445 -4.808 1.00 1.37 O ATOM 611 OP2 U A 23 -9.289 17.193 -5.522 1.00 1.03 O ATOM 612 O5' U A 23 -10.491 16.581 -3.408 1.00 1.27 O ATOM 613 C5' U A 23 -9.331 16.851 -2.609 1.00 1.30 C ATOM 614 C4' U A 23 -8.736 15.567 -2.042 1.00 1.25 C ATOM 615 O4' U A 23 -8.370 14.703 -3.131 1.00 1.08 O ATOM 616 C3' U A 23 -7.443 15.750 -1.246 1.00 1.34 C ATOM 617 O3' U A 23 -7.239 14.649 -0.354 1.00 1.41 O ATOM 618 C2' U A 23 -6.414 15.729 -2.365 1.00 1.22 C ATOM 619 O2' U A 23 -5.106 15.439 -1.855 1.00 1.31 O ATOM 620 C1' U A 23 -6.944 14.571 -3.197 1.00 1.06 C ATOM 621 N1 U A 23 -6.515 14.637 -4.608 1.00 0.95 N ATOM 622 C2 U A 23 -5.258 14.159 -4.916 1.00 0.96 C ATOM 623 O2 U A 23 -4.494 13.714 -4.066 1.00 1.06 O ATOM 624 N3 U A 23 -4.898 14.218 -6.240 1.00 0.93 N ATOM 625 C4 U A 23 -5.667 14.704 -7.273 1.00 0.89 C ATOM 626 O4 U A 23 -5.228 14.688 -8.418 1.00 0.93 O ATOM 627 C5 U A 23 -6.968 15.190 -6.877 1.00 0.87 C ATOM 628 C6 U A 23 -7.342 15.140 -5.575 1.00 0.91 C ATOM 0 H5' U A 23 -9.598 17.522 -1.792 1.00 1.30 H new ATOM 0 H5'' U A 23 -8.583 17.365 -3.213 1.00 1.30 H new ATOM 0 H4' U A 23 -9.508 15.175 -1.380 1.00 1.25 H new ATOM 0 H3' U A 23 -7.417 16.642 -0.620 1.00 1.34 H new ATOM 0 H2' U A 23 -6.302 16.669 -2.905 1.00 1.22 H new ATOM 0 HO2' U A 23 -4.641 14.836 -2.472 1.00 1.31 H new ATOM 0 HO3' U A 23 -6.285 14.427 -0.321 1.00 1.41 H new ATOM 0 H1' U A 23 -6.568 13.622 -2.814 1.00 1.06 H new ATOM 0 H3 U A 23 -3.971 13.868 -6.481 1.00 0.93 H new ATOM 0 H5 U A 23 -7.643 15.593 -7.618 1.00 0.87 H new ATOM 0 H6 U A 23 -8.318 15.507 -5.294 1.00 0.91 H new TER 640 U A 23 HETATM 641 C1 TOA A 100 -8.350 0.439 -7.832 1.00 0.37 C HETATM 642 C2 TOA A 100 -7.960 1.883 -8.143 1.00 0.40 C HETATM 643 C3 TOA A 100 -7.346 1.938 -9.542 1.00 0.40 C HETATM 644 C4 TOA A 100 -6.150 0.989 -9.624 1.00 0.43 C HETATM 645 C5 TOA A 100 -6.592 -0.417 -9.220 1.00 0.39 C HETATM 646 C6 TOA A 100 -5.453 -1.419 -9.173 1.00 0.46 C HETATM 647 O2 TOA A 100 -9.110 2.722 -8.085 1.00 0.41 O HETATM 648 N3 TOA A 100 -6.913 3.245 -10.125 1.00 0.47 N HETATM 649 O4 TOA A 100 -5.648 0.983 -10.955 1.00 0.48 O HETATM 650 O5 TOA A 100 -7.196 -0.384 -7.911 1.00 0.39 O HETATM 651 O6 TOA A 100 -5.901 -2.685 -8.707 1.00 0.46 O HETATM 0 HN33 TOA A 100 -7.577 3.534 -10.843 1.00 0.47 H new HETATM 0 HN32 TOA A 100 -6.879 3.951 -9.390 1.00 0.47 H new HETATM 0 HN31 TOA A 100 -5.987 3.142 -10.541 1.00 0.47 H new HETATM 0 HO6 TOA A 100 -5.130 -3.225 -8.436 1.00 0.46 H new HETATM 0 HO4 TOA A 100 -4.791 0.507 -10.979 1.00 0.48 H new HETATM 0 HO2 TOA A 100 -8.836 3.637 -7.867 1.00 0.41 H new HETATM 0 H62 TOA A 100 -5.019 -1.527 -10.167 1.00 0.46 H new HETATM 0 H61 TOA A 100 -4.664 -1.046 -8.520 1.00 0.46 H new HETATM 0 H5 TOA A 100 -7.297 -0.738 -9.986 1.00 0.39 H new HETATM 0 H4 TOA A 100 -5.363 1.322 -8.947 1.00 0.43 H new HETATM 0 H3 TOA A 100 -8.208 1.658 -10.148 1.00 0.40 H new HETATM 0 H2 TOA A 100 -7.236 2.234 -7.408 1.00 0.40 H new HETATM 665 C1 TOC A 102 -10.590 -4.846 -6.704 1.00 0.38 C HETATM 666 C2 TOC A 102 -9.325 -5.695 -6.841 1.00 0.38 C HETATM 667 C3 TOC A 102 -9.663 -7.090 -7.361 1.00 0.41 C HETATM 668 C4 TOC A 102 -10.727 -7.709 -6.473 1.00 0.50 C HETATM 669 C5 TOC A 102 -11.955 -6.812 -6.457 1.00 0.51 C HETATM 670 C6 TOC A 102 -13.042 -7.377 -5.560 1.00 0.63 C HETATM 671 N2 TOC A 102 -8.380 -5.030 -7.785 1.00 0.34 N HETATM 672 N6 TOC A 102 -13.361 -8.771 -6.031 1.00 0.70 N HETATM 673 O4 TOC A 102 -11.078 -8.998 -6.958 1.00 0.57 O HETATM 674 O5 TOC A 102 -11.597 -5.515 -5.949 1.00 0.47 O HETATM 0 HN63 TOC A 102 -13.895 -9.260 -5.312 1.00 0.70 H new HETATM 0 HN62 TOC A 102 -13.911 -8.723 -6.888 1.00 0.70 H new HETATM 0 HN61 TOC A 102 -12.494 -9.276 -6.212 1.00 0.70 H new HETATM 0 HN23 TOC A 102 -7.425 -5.314 -7.567 1.00 0.34 H new HETATM 0 HN22 TOC A 102 -8.606 -5.303 -8.742 1.00 0.34 H new HETATM 0 HN21 TOC A 102 -8.462 -4.018 -7.692 1.00 0.34 H new HETATM 0 HO4 TOC A 102 -10.380 -9.320 -7.565 1.00 0.57 H new HETATM 0 H62 TOC A 102 -12.709 -7.393 -4.522 1.00 0.63 H new HETATM 0 H61 TOC A 102 -13.932 -6.749 -5.599 1.00 0.63 H new HETATM 0 H5 TOC A 102 -12.328 -6.746 -7.479 1.00 0.51 H new HETATM 0 H4 TOC A 102 -10.336 -7.809 -5.460 1.00 0.50 H new HETATM 0 H32 TOC A 102 -10.020 -7.031 -8.389 1.00 0.41 H new HETATM 0 H31 TOC A 102 -8.770 -7.715 -7.368 1.00 0.41 H new HETATM 0 H2 TOC A 102 -8.863 -5.792 -5.858 1.00 0.38 H new HETATM 690 C1 2TB A 101 -11.675 -0.361 -9.109 1.00 0.24 C HETATM 691 C2 2TB A 101 -12.850 -1.344 -8.986 1.00 0.24 C HETATM 692 C3 2TB A 101 -12.405 -2.794 -9.132 1.00 0.25 C HETATM 693 C4 2TB A 101 -11.378 -3.058 -8.041 1.00 0.27 C HETATM 694 C5 2TB A 101 -10.127 -2.230 -8.331 1.00 0.25 C HETATM 695 C6 2TB A 101 -10.448 -0.727 -8.254 1.00 0.27 C HETATM 696 N1 2TB A 101 -12.122 1.035 -8.747 1.00 0.32 N HETATM 697 N3 2TB A 101 -13.576 -3.735 -9.082 1.00 0.38 N HETATM 698 O5 2TB A 101 -9.109 -2.567 -7.394 1.00 0.33 O HETATM 699 O4 2TB A 101 -11.047 -4.455 -7.970 1.00 0.32 O HETATM 700 O6 2TB A 101 -9.325 0.031 -8.751 1.00 0.30 O HETATM 0 HN33 2TB A 101 -13.309 -4.585 -8.585 1.00 0.38 H new HETATM 0 HN32 2TB A 101 -14.352 -3.287 -8.595 1.00 0.38 H new HETATM 0 HN31 2TB A 101 -13.863 -3.973 -10.032 1.00 0.38 H new HETATM 0 HN13 2TB A 101 -11.376 1.697 -8.959 1.00 0.32 H new HETATM 0 HN12 2TB A 101 -12.953 1.277 -9.286 1.00 0.32 H new HETATM 0 HN11 2TB A 101 -12.340 1.075 -7.751 1.00 0.32 H new HETATM 0 HO5 2TB A 101 -9.179 -1.983 -6.610 1.00 0.33 H new HETATM 0 H6 2TB A 101 -10.657 -0.492 -7.210 1.00 0.27 H new HETATM 0 H5 2TB A 101 -9.776 -2.452 -9.339 1.00 0.25 H new HETATM 0 H4 2TB A 101 -11.798 -2.770 -7.077 1.00 0.27 H new HETATM 0 H3 2TB A 101 -11.949 -2.969 -10.106 1.00 0.25 H new HETATM 0 H22 2TB A 101 -13.334 -1.210 -8.019 1.00 0.24 H new HETATM 0 H21 2TB A 101 -13.594 -1.115 -9.749 1.00 0.24 H new HETATM 0 H1 2TB A 101 -11.361 -0.417 -10.151 1.00 0.24 H new