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 -156:sc= 0.956 USER MOD Set 1.2: A 101 2TB O5 : rot -90:sc= 0.26 USER MOD Set 1.3: A 102 TOC N2 :NH3+ 160:sc= 3.19 (180deg=1.61) USER MOD Set 2.1: A 100 TOA O2 : rot 160:sc= 1.33 USER MOD Set 2.2: A 101 2TB N1 :NH3+ -178:sc= -0.147! (180deg=-0.657!) USER MOD Single : A 4 A O2' : rot -125:sc= 1.01 USER MOD Single : A 4 A O5' : rot 8:sc= 0.147 USER MOD Single : A 5 C O2' : rot -22:sc= 0.213 USER MOD Single : A 6 U O2' : rot -27:sc= 0.204 USER MOD Single : A 7 U O2' : rot -27:sc= 0.198 USER MOD Single : A 8 G O2' : rot -12:sc= 0.47 USER MOD Single : A 9 G O2' : rot -23:sc= 0.174 USER MOD Single : A 10 U O2' : rot -24:sc= 0.335 USER MOD Single : A 11 U O2' : rot 174:sc= 0.649 USER MOD Single : A 12 U O2' : rot -74:sc= 1.47 USER MOD Single : A 13 A O2' : rot 3:sc= -3.14! USER MOD Single : A 14 G O2' : rot -139:sc= 1.01 USER MOD Single : A 15 G O2' : rot -40:sc= 0.448 USER MOD Single : A 16 U O2' : rot -31:sc= 0.244 USER MOD Single : A 17 A O2' : rot -13:sc= 0.417 USER MOD Single : A 18 A O2' : rot -18:sc= 0.274 USER MOD Single : A 19 U O2' : rot -24:sc= 0.379 USER MOD Single : A 20 G O2' : rot -33:sc= 0.216 USER MOD Single : A 21 A O2' : rot -76:sc= 1.15 USER MOD Single : A 22 G O2' : rot -107:sc= 0.888 USER MOD Single : A 23 U O2' : rot -29:sc= 0.126 USER MOD Single : A 23 U O3' : rot 180:sc= 0.138 USER MOD Single : A 100 TOA N3 :NH3+ -104:sc= 2.39 (180deg=-1.4!) USER MOD Single : A 100 TOA O4 : rot 170:sc= 0.726 USER MOD Single : A 101 2TB N3 :NH3+ -178:sc= 1.24 (180deg=1.19) USER MOD Single : A 102 TOC N6 :NH3+ 162:sc= 0.816 (180deg=0.503) USER MOD Single : A 102 TOC O4 : rot 41:sc= 1.61! USER MOD ----------------------------------------------------------------- ATOM 1 O5' A A 4 6.458 7.246 -8.328 1.00 1.34 O ATOM 2 C5' A A 4 5.938 8.578 -8.340 1.00 1.25 C ATOM 3 C4' A A 4 4.934 8.782 -7.211 1.00 1.08 C ATOM 4 O4' A A 4 4.331 10.071 -7.328 1.00 1.06 O ATOM 5 C3' A A 4 3.744 7.844 -7.239 1.00 0.95 C ATOM 6 O3' A A 4 4.132 6.643 -6.553 1.00 0.99 O ATOM 7 C2' A A 4 2.739 8.586 -6.369 1.00 0.82 C ATOM 8 O2' A A 4 3.000 8.367 -4.980 1.00 0.84 O ATOM 9 C1' A A 4 3.009 10.048 -6.754 1.00 0.89 C ATOM 10 N9 A A 4 2.048 10.552 -7.756 1.00 0.84 N ATOM 11 C8 A A 4 2.139 10.525 -9.124 1.00 0.92 C ATOM 12 N7 A A 4 1.113 11.060 -9.728 1.00 0.88 N ATOM 13 C5 A A 4 0.289 11.469 -8.684 1.00 0.75 C ATOM 14 C6 A A 4 -0.961 12.111 -8.648 1.00 0.69 C ATOM 15 N6 A A 4 -1.639 12.474 -9.734 1.00 0.74 N ATOM 16 N1 A A 4 -1.495 12.369 -7.446 1.00 0.63 N ATOM 17 C2 A A 4 -0.831 12.013 -6.354 1.00 0.62 C ATOM 18 N3 A A 4 0.342 11.408 -6.252 1.00 0.67 N ATOM 19 C4 A A 4 0.851 11.164 -7.477 1.00 0.73 C ATOM 0 H5' A A 4 5.458 8.776 -9.298 1.00 1.25 H new ATOM 0 H5'' A A 4 6.755 9.292 -8.239 1.00 1.25 H new ATOM 0 H4' A A 4 5.523 8.621 -6.308 1.00 1.08 H new ATOM 0 H3' A A 4 3.376 7.592 -8.234 1.00 0.95 H new ATOM 0 H2' A A 4 1.707 8.270 -6.520 1.00 0.82 H new ATOM 0 HO2' A A 4 2.192 8.022 -4.546 1.00 0.84 H new ATOM 0 HO5' A A 4 5.964 6.708 -7.674 1.00 1.34 H new ATOM 0 H1' A A 4 2.912 10.682 -5.873 1.00 0.89 H new ATOM 0 H8 A A 4 2.980 10.101 -9.652 1.00 0.92 H new ATOM 0 H61 A A 4 -2.543 12.937 -9.640 1.00 0.74 H new ATOM 0 H62 A A 4 -1.255 12.289 -10.661 1.00 0.74 H new ATOM 0 H2 A A 4 -1.315 12.250 -5.418 1.00 0.62 H new ATOM 32 P C A 5 3.199 5.327 -6.586 1.00 0.95 P ATOM 33 OP1 C A 5 4.075 4.139 -6.481 1.00 1.13 O ATOM 34 OP2 C A 5 2.262 5.454 -7.727 1.00 0.94 O ATOM 35 O5' C A 5 2.353 5.454 -5.220 1.00 0.80 O ATOM 36 C5' C A 5 0.952 5.151 -5.191 1.00 0.64 C ATOM 37 C4' C A 5 0.209 6.035 -4.195 1.00 0.54 C ATOM 38 O4' C A 5 0.449 7.418 -4.514 1.00 0.55 O ATOM 39 C3' C A 5 -1.309 5.908 -4.229 1.00 0.44 C ATOM 40 O3' C A 5 -1.687 4.910 -3.271 1.00 0.47 O ATOM 41 C2' C A 5 -1.742 7.260 -3.693 1.00 0.43 C ATOM 42 O2' C A 5 -1.520 7.346 -2.282 1.00 0.51 O ATOM 43 C1' C A 5 -0.781 8.164 -4.455 1.00 0.48 C ATOM 44 N1 C A 5 -1.241 8.448 -5.836 1.00 0.46 N ATOM 45 C2 C A 5 -2.302 9.329 -5.999 1.00 0.44 C ATOM 46 O2 C A 5 -2.856 9.830 -5.024 1.00 0.46 O ATOM 47 N3 C A 5 -2.725 9.614 -7.259 1.00 0.44 N ATOM 48 C4 C A 5 -2.134 9.057 -8.321 1.00 0.48 C ATOM 49 N4 C A 5 -2.591 9.384 -9.523 1.00 0.52 N ATOM 50 C5 C A 5 -1.045 8.148 -8.165 1.00 0.53 C ATOM 51 C6 C A 5 -0.632 7.873 -6.915 1.00 0.52 C ATOM 0 H5' C A 5 0.811 4.103 -4.925 1.00 0.64 H new ATOM 0 H5'' C A 5 0.529 5.287 -6.186 1.00 0.64 H new ATOM 0 H4' C A 5 0.580 5.712 -3.222 1.00 0.54 H new ATOM 0 H3' C A 5 -1.726 5.648 -5.202 1.00 0.44 H new ATOM 0 H2' C A 5 -2.798 7.494 -3.824 1.00 0.43 H new ATOM 0 HO2' C A 5 -1.482 6.444 -1.901 1.00 0.51 H new ATOM 0 H1' C A 5 -0.690 9.130 -3.959 1.00 0.48 H new ATOM 0 H41 C A 5 -2.166 8.980 -10.358 1.00 0.52 H new ATOM 0 H42 C A 5 -3.367 10.040 -9.612 1.00 0.52 H new ATOM 0 H5 C A 5 -0.568 7.696 -9.022 1.00 0.53 H new ATOM 0 H6 C A 5 0.190 7.190 -6.763 1.00 0.52 H new ATOM 63 P U A 6 -2.563 3.627 -3.717 1.00 0.49 P ATOM 64 OP1 U A 6 -2.205 2.492 -2.838 1.00 0.65 O ATOM 65 OP2 U A 6 -2.461 3.485 -5.186 1.00 0.57 O ATOM 66 O5' U A 6 -4.071 4.085 -3.364 1.00 0.49 O ATOM 67 C5' U A 6 -4.563 4.018 -2.018 1.00 0.49 C ATOM 68 C4' U A 6 -5.675 5.033 -1.765 1.00 0.43 C ATOM 69 O4' U A 6 -5.200 6.352 -2.088 1.00 0.49 O ATOM 70 C3' U A 6 -6.910 4.876 -2.640 1.00 0.35 C ATOM 71 O3' U A 6 -7.818 3.988 -1.975 1.00 0.34 O ATOM 72 C2' U A 6 -7.496 6.274 -2.571 1.00 0.37 C ATOM 73 O2' U A 6 -8.066 6.526 -1.284 1.00 0.41 O ATOM 74 C1' U A 6 -6.229 7.093 -2.778 1.00 0.43 C ATOM 75 N1 U A 6 -5.864 7.212 -4.209 1.00 0.39 N ATOM 76 C2 U A 6 -6.665 8.005 -5.010 1.00 0.37 C ATOM 77 O2 U A 6 -7.652 8.593 -4.585 1.00 0.41 O ATOM 78 N3 U A 6 -6.299 8.089 -6.333 1.00 0.35 N ATOM 79 C4 U A 6 -5.221 7.468 -6.921 1.00 0.38 C ATOM 80 O4 U A 6 -5.002 7.632 -8.116 1.00 0.41 O ATOM 81 C5 U A 6 -4.431 6.657 -6.028 1.00 0.42 C ATOM 82 C6 U A 6 -4.775 6.556 -4.720 1.00 0.42 C ATOM 0 H5' U A 6 -3.743 4.198 -1.323 1.00 0.49 H new ATOM 0 H5'' U A 6 -4.936 3.014 -1.818 1.00 0.49 H new ATOM 0 H4' U A 6 -5.942 4.872 -0.721 1.00 0.43 H new ATOM 0 H3' U A 6 -6.717 4.501 -3.645 1.00 0.35 H new ATOM 0 H2' U A 6 -8.301 6.478 -3.277 1.00 0.37 H new ATOM 0 HO2' U A 6 -8.355 5.680 -0.883 1.00 0.41 H new ATOM 0 H1' U A 6 -6.362 8.110 -2.409 1.00 0.43 H new ATOM 0 H3 U A 6 -6.883 8.668 -6.937 1.00 0.35 H new ATOM 0 H5 U A 6 -3.565 6.130 -6.401 1.00 0.42 H new ATOM 0 H6 U A 6 -4.175 5.943 -4.064 1.00 0.42 H new ATOM 93 P U A 7 -8.733 2.967 -2.823 1.00 0.35 P ATOM 94 OP1 U A 7 -9.484 2.115 -1.877 1.00 0.45 O ATOM 95 OP2 U A 7 -7.886 2.343 -3.867 1.00 0.44 O ATOM 96 O5' U A 7 -9.773 3.948 -3.566 1.00 0.42 O ATOM 97 C5' U A 7 -11.021 4.299 -2.957 1.00 0.46 C ATOM 98 C4' U A 7 -11.947 5.005 -3.943 1.00 0.41 C ATOM 99 O4' U A 7 -11.359 6.254 -4.354 1.00 0.44 O ATOM 100 C3' U A 7 -12.163 4.266 -5.257 1.00 0.39 C ATOM 101 O3' U A 7 -13.293 3.407 -5.100 1.00 0.40 O ATOM 102 C2' U A 7 -12.555 5.403 -6.177 1.00 0.41 C ATOM 103 O2' U A 7 -13.863 5.891 -5.868 1.00 0.45 O ATOM 104 C1' U A 7 -11.483 6.409 -5.783 1.00 0.41 C ATOM 105 N1 U A 7 -10.181 6.110 -6.408 1.00 0.37 N ATOM 106 C2 U A 7 -10.057 6.311 -7.768 1.00 0.38 C ATOM 107 O2 U A 7 -10.978 6.713 -8.472 1.00 0.43 O ATOM 108 N3 U A 7 -8.831 6.007 -8.311 1.00 0.39 N ATOM 109 C4 U A 7 -7.737 5.526 -7.629 1.00 0.40 C ATOM 110 O4 U A 7 -6.704 5.264 -8.237 1.00 0.45 O ATOM 111 C5 U A 7 -7.943 5.344 -6.216 1.00 0.39 C ATOM 112 C6 U A 7 -9.139 5.638 -5.661 1.00 0.38 C ATOM 0 H5' U A 7 -10.839 4.947 -2.100 1.00 0.46 H new ATOM 0 H5'' U A 7 -11.508 3.400 -2.579 1.00 0.46 H new ATOM 0 H4' U A 7 -12.889 5.092 -3.402 1.00 0.41 H new ATOM 0 H3' U A 7 -11.314 3.673 -5.598 1.00 0.39 H new ATOM 0 H2' U A 7 -12.602 5.157 -7.238 1.00 0.41 H new ATOM 0 HO2' U A 7 -14.390 5.175 -5.456 1.00 0.45 H new ATOM 0 H1' U A 7 -11.757 7.415 -6.102 1.00 0.41 H new ATOM 0 H3 U A 7 -8.722 6.152 -9.315 1.00 0.39 H new ATOM 0 H5 U A 7 -7.139 4.971 -5.598 1.00 0.39 H new ATOM 0 H6 U A 7 -9.275 5.496 -4.599 1.00 0.38 H new ATOM 123 P G A 8 -13.091 1.812 -5.079 1.00 0.30 P ATOM 124 OP1 G A 8 -12.547 1.424 -3.762 1.00 0.47 O ATOM 125 OP2 G A 8 -12.366 1.424 -6.319 1.00 0.33 O ATOM 126 O5' G A 8 -14.598 1.258 -5.198 1.00 0.36 O ATOM 127 C5' G A 8 -15.224 1.075 -6.475 1.00 0.34 C ATOM 128 C4' G A 8 -15.539 2.406 -7.156 1.00 0.30 C ATOM 129 O4' G A 8 -14.339 3.019 -7.609 1.00 0.31 O ATOM 130 C3' G A 8 -16.328 2.295 -8.440 1.00 0.28 C ATOM 131 O3' G A 8 -17.717 2.237 -8.089 1.00 0.33 O ATOM 132 C2' G A 8 -16.074 3.647 -9.109 1.00 0.31 C ATOM 133 O2' G A 8 -17.053 4.602 -8.691 1.00 0.39 O ATOM 134 C1' G A 8 -14.680 4.036 -8.568 1.00 0.31 C ATOM 135 N9 G A 8 -13.635 4.067 -9.616 1.00 0.28 N ATOM 136 C8 G A 8 -12.274 3.992 -9.466 1.00 0.28 C ATOM 137 N7 G A 8 -11.618 4.031 -10.590 1.00 0.28 N ATOM 138 C5 G A 8 -12.614 4.144 -11.556 1.00 0.27 C ATOM 139 C6 G A 8 -12.512 4.228 -12.972 1.00 0.30 C ATOM 140 O6 G A 8 -11.503 4.184 -13.663 1.00 0.33 O ATOM 141 N1 G A 8 -13.753 4.332 -13.569 1.00 0.34 N ATOM 142 C2 G A 8 -14.948 4.349 -12.900 1.00 0.37 C ATOM 143 N2 G A 8 -16.048 4.445 -13.631 1.00 0.46 N ATOM 144 N3 G A 8 -15.061 4.268 -11.576 1.00 0.34 N ATOM 145 C4 G A 8 -13.855 4.169 -10.970 1.00 0.28 C ATOM 0 H5' G A 8 -16.145 0.506 -6.349 1.00 0.34 H new ATOM 0 H5'' G A 8 -14.570 0.485 -7.118 1.00 0.34 H new ATOM 0 H4' G A 8 -16.097 2.948 -6.393 1.00 0.30 H new ATOM 0 H3' G A 8 -16.065 1.435 -9.056 1.00 0.28 H new ATOM 0 H2' G A 8 -16.126 3.611 -10.197 1.00 0.31 H new ATOM 0 HO2' G A 8 -17.780 4.141 -8.222 1.00 0.39 H new ATOM 0 H1' G A 8 -14.724 5.041 -8.148 1.00 0.31 H new ATOM 0 H8 G A 8 -11.791 3.908 -8.504 1.00 0.28 H new ATOM 0 H1 G A 8 -13.782 4.401 -14.586 1.00 0.34 H new ATOM 0 H21 G A 8 -16.962 4.461 -13.178 1.00 0.46 H new ATOM 0 H22 G A 8 -15.982 4.502 -14.647 1.00 0.46 H new ATOM 157 P G A 9 -18.518 0.837 -8.136 1.00 0.37 P ATOM 158 OP1 G A 9 -19.917 1.088 -7.726 1.00 0.46 O ATOM 159 OP2 G A 9 -17.708 -0.183 -7.427 1.00 0.40 O ATOM 160 O5' G A 9 -18.506 0.479 -9.709 1.00 0.37 O ATOM 161 C5' G A 9 -17.557 -0.454 -10.244 1.00 0.34 C ATOM 162 C4' G A 9 -17.516 -0.404 -11.768 1.00 0.35 C ATOM 163 O4' G A 9 -17.077 0.898 -12.201 1.00 0.34 O ATOM 164 C3' G A 9 -16.509 -1.342 -12.411 1.00 0.35 C ATOM 165 O3' G A 9 -17.145 -2.608 -12.612 1.00 0.38 O ATOM 166 C2' G A 9 -16.320 -0.678 -13.761 1.00 0.35 C ATOM 167 O2' G A 9 -17.494 -0.813 -14.570 1.00 0.39 O ATOM 168 C1' G A 9 -16.139 0.759 -13.290 1.00 0.32 C ATOM 169 N9 G A 9 -14.784 1.005 -12.769 1.00 0.28 N ATOM 170 C8 G A 9 -14.409 1.247 -11.479 1.00 0.27 C ATOM 171 N7 G A 9 -13.124 1.368 -11.318 1.00 0.26 N ATOM 172 C5 G A 9 -12.610 1.199 -12.598 1.00 0.27 C ATOM 173 C6 G A 9 -11.264 1.226 -13.049 1.00 0.30 C ATOM 174 O6 G A 9 -10.245 1.394 -12.390 1.00 0.34 O ATOM 175 N1 G A 9 -11.179 1.011 -14.410 1.00 0.34 N ATOM 176 C2 G A 9 -12.249 0.796 -15.241 1.00 0.36 C ATOM 177 N2 G A 9 -11.982 0.602 -16.524 1.00 0.42 N ATOM 178 N3 G A 9 -13.517 0.768 -14.831 1.00 0.34 N ATOM 179 C4 G A 9 -13.621 0.977 -13.499 1.00 0.29 C ATOM 0 H5' G A 9 -17.815 -1.462 -9.920 1.00 0.34 H new ATOM 0 H5'' G A 9 -16.566 -0.235 -9.846 1.00 0.34 H new ATOM 0 H4' G A 9 -18.529 -0.677 -12.064 1.00 0.35 H new ATOM 0 H3' G A 9 -15.592 -1.501 -11.844 1.00 0.35 H new ATOM 0 H2' G A 9 -15.516 -1.078 -14.379 1.00 0.35 H new ATOM 0 HO2' G A 9 -18.015 -1.585 -14.264 1.00 0.39 H new ATOM 0 H1' G A 9 -16.295 1.458 -14.111 1.00 0.32 H new ATOM 0 H8 G A 9 -15.115 1.330 -10.666 1.00 0.27 H new ATOM 0 H1 G A 9 -10.249 1.012 -14.830 1.00 0.34 H new ATOM 0 H21 G A 9 -12.742 0.438 -17.184 1.00 0.42 H new ATOM 0 H22 G A 9 -11.016 0.617 -16.852 1.00 0.42 H new ATOM 191 P U A 10 -16.318 -3.970 -12.386 1.00 0.39 P ATOM 192 OP1 U A 10 -17.254 -5.110 -12.468 1.00 0.48 O ATOM 193 OP2 U A 10 -15.464 -3.794 -11.176 1.00 0.41 O ATOM 194 O5' U A 10 -15.351 -4.006 -13.672 1.00 0.40 O ATOM 195 C5' U A 10 -15.898 -4.069 -14.998 1.00 0.42 C ATOM 196 C4' U A 10 -14.821 -3.883 -16.064 1.00 0.39 C ATOM 197 O4' U A 10 -14.199 -2.603 -15.894 1.00 0.37 O ATOM 198 C3' U A 10 -13.672 -4.873 -15.983 1.00 0.37 C ATOM 199 O3' U A 10 -14.007 -5.970 -16.843 1.00 0.44 O ATOM 200 C2' U A 10 -12.529 -4.110 -16.632 1.00 0.36 C ATOM 201 O2' U A 10 -12.634 -4.154 -18.058 1.00 0.42 O ATOM 202 C1' U A 10 -12.779 -2.695 -16.107 1.00 0.34 C ATOM 203 N1 U A 10 -12.093 -2.420 -14.839 1.00 0.29 N ATOM 204 C2 U A 10 -10.709 -2.424 -14.842 1.00 0.30 C ATOM 205 O2 U A 10 -10.048 -2.661 -15.846 1.00 0.34 O ATOM 206 N3 U A 10 -10.107 -2.127 -13.647 1.00 0.28 N ATOM 207 C4 U A 10 -10.750 -1.831 -12.467 1.00 0.26 C ATOM 208 O4 U A 10 -10.099 -1.577 -11.459 1.00 0.27 O ATOM 209 C5 U A 10 -12.194 -1.848 -12.548 1.00 0.27 C ATOM 210 C6 U A 10 -12.803 -2.137 -13.713 1.00 0.29 C ATOM 0 H5' U A 10 -16.661 -3.299 -15.114 1.00 0.42 H new ATOM 0 H5'' U A 10 -16.391 -5.030 -15.143 1.00 0.42 H new ATOM 0 H4' U A 10 -15.348 -4.013 -17.009 1.00 0.39 H new ATOM 0 H3' U A 10 -13.451 -5.234 -14.979 1.00 0.37 H new ATOM 0 H2' U A 10 -11.538 -4.503 -16.405 1.00 0.36 H new ATOM 0 HO2' U A 10 -13.147 -4.945 -18.324 1.00 0.42 H new ATOM 0 H1' U A 10 -12.396 -1.971 -16.826 1.00 0.34 H new ATOM 0 H3 U A 10 -9.087 -2.125 -13.631 1.00 0.28 H new ATOM 0 H5 U A 10 -12.785 -1.628 -11.671 1.00 0.27 H new ATOM 0 H6 U A 10 -13.882 -2.144 -13.755 1.00 0.29 H new ATOM 221 P U A 11 -13.214 -7.366 -16.752 1.00 0.44 P ATOM 222 OP1 U A 11 -14.116 -8.441 -17.222 1.00 0.63 O ATOM 223 OP2 U A 11 -12.593 -7.460 -15.409 1.00 0.51 O ATOM 224 O5' U A 11 -12.039 -7.181 -17.843 1.00 0.43 O ATOM 225 C5' U A 11 -10.859 -7.990 -17.773 1.00 0.46 C ATOM 226 C4' U A 11 -9.630 -7.174 -17.384 1.00 0.40 C ATOM 227 O4' U A 11 -9.947 -6.327 -16.292 1.00 0.37 O ATOM 228 C3' U A 11 -8.462 -8.006 -16.869 1.00 0.41 C ATOM 229 O3' U A 11 -7.510 -8.093 -17.937 1.00 0.56 O ATOM 230 C2' U A 11 -7.829 -7.157 -15.747 1.00 0.38 C ATOM 231 O2' U A 11 -6.489 -6.790 -16.091 1.00 0.53 O ATOM 232 C1' U A 11 -8.729 -5.918 -15.680 1.00 0.34 C ATOM 233 N1 U A 11 -9.025 -5.494 -14.291 1.00 0.29 N ATOM 234 C2 U A 11 -7.960 -5.221 -13.447 1.00 0.30 C ATOM 235 O2 U A 11 -6.789 -5.304 -13.797 1.00 0.35 O ATOM 236 N3 U A 11 -8.290 -4.853 -12.163 1.00 0.30 N ATOM 237 C4 U A 11 -9.559 -4.734 -11.648 1.00 0.31 C ATOM 238 O4 U A 11 -9.713 -4.407 -10.470 1.00 0.35 O ATOM 239 C5 U A 11 -10.618 -5.033 -12.583 1.00 0.30 C ATOM 240 C6 U A 11 -10.319 -5.394 -13.854 1.00 0.29 C ATOM 0 H5' U A 11 -10.688 -8.466 -18.739 1.00 0.46 H new ATOM 0 H5'' U A 11 -11.009 -8.788 -17.046 1.00 0.46 H new ATOM 0 H4' U A 11 -9.348 -6.655 -18.300 1.00 0.40 H new ATOM 0 H3' U A 11 -8.757 -8.998 -16.528 1.00 0.41 H new ATOM 0 H2' U A 11 -7.766 -7.686 -14.796 1.00 0.38 H new ATOM 0 HO2' U A 11 -6.136 -6.172 -15.417 1.00 0.53 H new ATOM 0 H1' U A 11 -8.240 -5.073 -16.164 1.00 0.34 H new ATOM 0 H3 U A 11 -7.516 -4.648 -11.531 1.00 0.30 H new ATOM 0 H5 U A 11 -11.649 -4.969 -12.269 1.00 0.30 H new ATOM 0 H6 U A 11 -11.123 -5.609 -14.542 1.00 0.29 H new ATOM 251 P U A 12 -6.697 -9.456 -18.212 1.00 0.72 P ATOM 252 OP1 U A 12 -5.881 -9.271 -19.433 1.00 0.98 O ATOM 253 OP2 U A 12 -7.648 -10.589 -18.129 1.00 0.80 O ATOM 254 O5' U A 12 -5.699 -9.536 -16.947 1.00 0.70 O ATOM 255 C5' U A 12 -6.023 -10.326 -15.793 1.00 0.57 C ATOM 256 C4' U A 12 -4.870 -10.337 -14.792 1.00 0.48 C ATOM 257 O4' U A 12 -4.631 -9.002 -14.322 1.00 0.44 O ATOM 258 C3' U A 12 -5.113 -11.119 -13.508 1.00 0.45 C ATOM 259 O3' U A 12 -4.752 -12.487 -13.749 1.00 0.57 O ATOM 260 C2' U A 12 -4.072 -10.501 -12.603 1.00 0.41 C ATOM 261 O2' U A 12 -2.751 -10.889 -12.997 1.00 0.47 O ATOM 262 C1' U A 12 -4.312 -9.030 -12.916 1.00 0.38 C ATOM 263 N1 U A 12 -5.449 -8.469 -12.159 1.00 0.34 N ATOM 264 C2 U A 12 -5.194 -7.940 -10.910 1.00 0.34 C ATOM 265 O2 U A 12 -4.078 -7.915 -10.417 1.00 0.37 O ATOM 266 N3 U A 12 -6.276 -7.421 -10.241 1.00 0.33 N ATOM 267 C4 U A 12 -7.571 -7.382 -10.702 1.00 0.32 C ATOM 268 O4 U A 12 -8.447 -6.871 -10.013 1.00 0.36 O ATOM 269 C5 U A 12 -7.761 -7.957 -12.011 1.00 0.31 C ATOM 270 C6 U A 12 -6.709 -8.471 -12.684 1.00 0.33 C ATOM 0 H5' U A 12 -6.252 -11.347 -16.100 1.00 0.57 H new ATOM 0 H5'' U A 12 -6.919 -9.928 -15.316 1.00 0.57 H new ATOM 0 H4' U A 12 -4.056 -10.798 -15.352 1.00 0.48 H new ATOM 0 H3' U A 12 -6.133 -11.090 -13.126 1.00 0.45 H new ATOM 0 H2' U A 12 -4.146 -10.780 -11.552 1.00 0.41 H new ATOM 0 HO2' U A 12 -2.596 -11.824 -12.747 1.00 0.47 H new ATOM 0 H1' U A 12 -3.438 -8.436 -12.647 1.00 0.38 H new ATOM 0 H3 U A 12 -6.103 -7.028 -9.316 1.00 0.33 H new ATOM 0 H5 U A 12 -8.746 -7.977 -12.454 1.00 0.31 H new ATOM 0 H6 U A 12 -6.869 -8.895 -13.664 1.00 0.33 H new ATOM 281 P A A 13 -5.786 -13.684 -13.427 1.00 0.61 P ATOM 282 OP1 A A 13 -5.417 -14.852 -14.257 1.00 0.78 O ATOM 283 OP2 A A 13 -7.163 -13.138 -13.491 1.00 0.72 O ATOM 284 O5' A A 13 -5.446 -14.028 -11.890 1.00 0.57 O ATOM 285 C5' A A 13 -6.469 -14.433 -10.968 1.00 0.57 C ATOM 286 C4' A A 13 -6.133 -13.993 -9.546 1.00 0.51 C ATOM 287 O4' A A 13 -4.841 -14.513 -9.199 1.00 0.55 O ATOM 288 C3' A A 13 -6.011 -12.485 -9.371 1.00 0.42 C ATOM 289 O3' A A 13 -7.246 -12.016 -8.810 1.00 0.41 O ATOM 290 C2' A A 13 -4.948 -12.333 -8.296 1.00 0.44 C ATOM 291 O2' A A 13 -5.512 -12.452 -6.987 1.00 0.50 O ATOM 292 C1' A A 13 -4.025 -13.504 -8.588 1.00 0.49 C ATOM 293 N9 A A 13 -2.926 -13.150 -9.501 1.00 0.46 N ATOM 294 C8 A A 13 -2.950 -13.046 -10.862 1.00 0.49 C ATOM 295 N7 A A 13 -1.798 -12.725 -11.383 1.00 0.50 N ATOM 296 C5 A A 13 -0.957 -12.607 -10.283 1.00 0.48 C ATOM 297 C6 A A 13 0.403 -12.285 -10.153 1.00 0.51 C ATOM 298 N6 A A 13 1.194 -11.997 -11.183 1.00 0.56 N ATOM 299 N1 A A 13 0.925 -12.257 -8.918 1.00 0.54 N ATOM 300 C2 A A 13 0.141 -12.531 -7.882 1.00 0.54 C ATOM 301 N3 A A 13 -1.145 -12.846 -7.870 1.00 0.51 N ATOM 302 C4 A A 13 -1.635 -12.865 -9.127 1.00 0.47 C ATOM 0 H5' A A 13 -6.583 -15.517 -10.999 1.00 0.57 H new ATOM 0 H5'' A A 13 -7.425 -14.003 -11.269 1.00 0.57 H new ATOM 0 H4' A A 13 -6.952 -14.359 -8.926 1.00 0.51 H new ATOM 0 H3' A A 13 -5.784 -11.955 -10.296 1.00 0.42 H new ATOM 0 H2' A A 13 -4.453 -11.362 -8.312 1.00 0.44 H new ATOM 0 HO2' A A 13 -6.467 -12.659 -7.060 1.00 0.50 H new ATOM 0 H1' A A 13 -3.559 -13.838 -7.661 1.00 0.49 H new ATOM 0 H8 A A 13 -3.839 -13.214 -11.452 1.00 0.49 H new ATOM 0 H61 A A 13 2.176 -11.770 -11.024 1.00 0.56 H new ATOM 0 H62 A A 13 0.819 -12.003 -12.131 1.00 0.56 H new ATOM 0 H2 A A 13 0.619 -12.491 -6.914 1.00 0.54 H new ATOM 314 P G A 14 -7.660 -10.465 -8.933 1.00 0.37 P ATOM 315 OP1 G A 14 -8.943 -10.248 -8.216 1.00 0.43 O ATOM 316 OP2 G A 14 -7.543 -10.078 -10.352 1.00 0.43 O ATOM 317 O5' G A 14 -6.498 -9.706 -8.108 1.00 0.33 O ATOM 318 C5' G A 14 -6.388 -9.865 -6.685 1.00 0.36 C ATOM 319 C4' G A 14 -5.020 -9.422 -6.163 1.00 0.35 C ATOM 320 O4' G A 14 -3.989 -10.100 -6.871 1.00 0.35 O ATOM 321 C3' G A 14 -4.684 -7.967 -6.397 1.00 0.34 C ATOM 322 O3' G A 14 -5.189 -7.240 -5.269 1.00 0.37 O ATOM 323 C2' G A 14 -3.159 -7.947 -6.295 1.00 0.35 C ATOM 324 O2' G A 14 -2.750 -7.736 -4.940 1.00 0.42 O ATOM 325 C1' G A 14 -2.763 -9.358 -6.753 1.00 0.34 C ATOM 326 N9 G A 14 -2.073 -9.362 -8.057 1.00 0.35 N ATOM 327 C8 G A 14 -2.562 -9.734 -9.279 1.00 0.37 C ATOM 328 N7 G A 14 -1.691 -9.648 -10.244 1.00 0.41 N ATOM 329 C5 G A 14 -0.541 -9.182 -9.615 1.00 0.40 C ATOM 330 C6 G A 14 0.742 -8.891 -10.153 1.00 0.46 C ATOM 331 O6 G A 14 1.132 -9.004 -11.312 1.00 0.53 O ATOM 332 N1 G A 14 1.612 -8.444 -9.177 1.00 0.48 N ATOM 333 C2 G A 14 1.298 -8.295 -7.851 1.00 0.45 C ATOM 334 N2 G A 14 2.256 -7.853 -7.051 1.00 0.53 N ATOM 335 N3 G A 14 0.104 -8.565 -7.331 1.00 0.40 N ATOM 336 C4 G A 14 -0.766 -9.003 -8.272 1.00 0.37 C ATOM 0 H5' G A 14 -6.555 -10.910 -6.423 1.00 0.36 H new ATOM 0 H5'' G A 14 -7.169 -9.284 -6.194 1.00 0.36 H new ATOM 0 H4' G A 14 -5.077 -9.633 -5.095 1.00 0.35 H new ATOM 0 H3' G A 14 -5.075 -7.558 -7.329 1.00 0.34 H new ATOM 0 H2' G A 14 -2.700 -7.153 -6.884 1.00 0.35 H new ATOM 0 HO2' G A 14 -1.988 -7.120 -4.920 1.00 0.42 H new ATOM 0 H1' G A 14 -2.069 -9.790 -6.032 1.00 0.34 H new ATOM 0 H8 G A 14 -3.578 -10.069 -9.430 1.00 0.37 H new ATOM 0 H1 G A 14 2.561 -8.207 -9.465 1.00 0.48 H new ATOM 0 H21 G A 14 2.071 -7.726 -6.056 1.00 0.53 H new ATOM 0 H22 G A 14 3.179 -7.640 -7.430 1.00 0.53 H new ATOM 348 P G A 15 -6.354 -6.147 -5.428 1.00 0.42 P ATOM 349 OP1 G A 15 -7.543 -6.621 -4.685 1.00 0.58 O ATOM 350 OP2 G A 15 -6.485 -5.806 -6.869 1.00 0.42 O ATOM 351 O5' G A 15 -5.747 -4.870 -4.652 1.00 0.42 O ATOM 352 C5' G A 15 -5.311 -3.710 -5.370 1.00 0.41 C ATOM 353 C4' G A 15 -4.074 -3.997 -6.220 1.00 0.36 C ATOM 354 O4' G A 15 -3.928 -2.953 -7.198 1.00 0.38 O ATOM 355 C3' G A 15 -2.746 -4.006 -5.465 1.00 0.40 C ATOM 356 O3' G A 15 -1.825 -4.754 -6.276 1.00 0.37 O ATOM 357 C2' G A 15 -2.338 -2.537 -5.513 1.00 0.48 C ATOM 358 O2' G A 15 -0.928 -2.370 -5.343 1.00 0.55 O ATOM 359 C1' G A 15 -2.747 -2.172 -6.935 1.00 0.44 C ATOM 360 N9 G A 15 -3.082 -0.741 -7.061 1.00 0.50 N ATOM 361 C8 G A 15 -2.453 0.225 -7.804 1.00 0.60 C ATOM 362 N7 G A 15 -2.991 1.409 -7.687 1.00 0.64 N ATOM 363 C5 G A 15 -4.049 1.212 -6.805 1.00 0.57 C ATOM 364 C6 G A 15 -5.004 2.136 -6.295 1.00 0.61 C ATOM 365 O6 G A 15 -5.130 3.330 -6.552 1.00 0.69 O ATOM 366 N1 G A 15 -5.893 1.522 -5.435 1.00 0.60 N ATOM 367 C2 G A 15 -5.880 0.194 -5.107 1.00 0.56 C ATOM 368 N2 G A 15 -6.837 -0.226 -4.298 1.00 0.63 N ATOM 369 N3 G A 15 -4.999 -0.683 -5.572 1.00 0.49 N ATOM 370 C4 G A 15 -4.112 -0.103 -6.416 1.00 0.50 C ATOM 0 H5' G A 15 -5.089 -2.909 -4.665 1.00 0.41 H new ATOM 0 H5'' G A 15 -6.118 -3.356 -6.011 1.00 0.41 H new ATOM 0 H4' G A 15 -4.251 -4.993 -6.626 1.00 0.36 H new ATOM 0 H3' G A 15 -2.782 -4.421 -4.458 1.00 0.40 H new ATOM 0 H2' G A 15 -2.789 -1.929 -4.729 1.00 0.48 H new ATOM 0 HO2' G A 15 -0.605 -2.991 -4.657 1.00 0.55 H new ATOM 0 H1' G A 15 -1.932 -2.369 -7.631 1.00 0.44 H new ATOM 0 H8 G A 15 -1.594 0.025 -8.427 1.00 0.60 H new ATOM 0 H1 G A 15 -6.616 2.104 -5.011 1.00 0.60 H new ATOM 0 H21 G A 15 -6.876 -1.207 -4.020 1.00 0.63 H new ATOM 0 H22 G A 15 -7.537 0.431 -3.952 1.00 0.63 H new ATOM 382 P U A 16 -0.418 -5.302 -5.697 1.00 0.39 P ATOM 383 OP1 U A 16 -0.572 -6.735 -5.375 1.00 0.40 O ATOM 384 OP2 U A 16 0.068 -4.371 -4.654 1.00 0.50 O ATOM 385 O5' U A 16 0.544 -5.174 -6.985 1.00 0.43 O ATOM 386 C5' U A 16 0.209 -4.279 -8.056 1.00 0.42 C ATOM 387 C4' U A 16 0.518 -4.884 -9.420 1.00 0.40 C ATOM 388 O4' U A 16 -0.277 -6.066 -9.619 1.00 0.37 O ATOM 389 C3' U A 16 0.171 -4.002 -10.610 1.00 0.40 C ATOM 390 O3' U A 16 1.338 -3.232 -10.933 1.00 0.49 O ATOM 391 C2' U A 16 -0.022 -5.030 -11.708 1.00 0.40 C ATOM 392 O2' U A 16 1.237 -5.568 -12.129 1.00 0.48 O ATOM 393 C1' U A 16 -0.834 -6.073 -10.948 1.00 0.36 C ATOM 394 N1 U A 16 -2.267 -5.723 -10.859 1.00 0.32 N ATOM 395 C2 U A 16 -2.986 -5.622 -12.039 1.00 0.33 C ATOM 396 O2 U A 16 -2.496 -5.860 -13.136 1.00 0.39 O ATOM 397 N3 U A 16 -4.304 -5.242 -11.912 1.00 0.30 N ATOM 398 C4 U A 16 -4.956 -4.956 -10.733 1.00 0.27 C ATOM 399 O4 U A 16 -6.137 -4.624 -10.750 1.00 0.28 O ATOM 400 C5 U A 16 -4.146 -5.089 -9.547 1.00 0.28 C ATOM 401 C6 U A 16 -2.849 -5.466 -9.648 1.00 0.29 C ATOM 0 H5' U A 16 0.763 -3.348 -7.938 1.00 0.42 H new ATOM 0 H5'' U A 16 -0.850 -4.028 -8.002 1.00 0.42 H new ATOM 0 H4' U A 16 1.594 -5.054 -9.392 1.00 0.40 H new ATOM 0 H3' U A 16 -0.676 -3.334 -10.455 1.00 0.40 H new ATOM 0 H2' U A 16 -0.487 -4.655 -12.620 1.00 0.40 H new ATOM 0 HO2' U A 16 1.935 -4.889 -12.022 1.00 0.48 H new ATOM 0 H1' U A 16 -0.781 -7.038 -11.452 1.00 0.36 H new ATOM 0 H3 U A 16 -4.848 -5.165 -12.771 1.00 0.30 H new ATOM 0 H5 U A 16 -4.575 -4.888 -8.576 1.00 0.28 H new ATOM 0 H6 U A 16 -2.259 -5.566 -8.749 1.00 0.29 H new ATOM 412 P A A 17 1.219 -1.666 -11.295 1.00 0.49 P ATOM 413 OP1 A A 17 2.586 -1.122 -11.459 1.00 0.62 O ATOM 414 OP2 A A 17 0.284 -1.039 -10.333 1.00 0.50 O ATOM 415 O5' A A 17 0.507 -1.689 -12.742 1.00 0.53 O ATOM 416 C5' A A 17 1.086 -2.411 -13.838 1.00 0.55 C ATOM 417 C4' A A 17 0.024 -2.835 -14.849 1.00 0.49 C ATOM 418 O4' A A 17 -1.011 -3.542 -14.165 1.00 0.44 O ATOM 419 C3' A A 17 -0.712 -1.693 -15.523 1.00 0.50 C ATOM 420 O3' A A 17 0.005 -1.370 -16.726 1.00 0.58 O ATOM 421 C2' A A 17 -2.020 -2.340 -15.950 1.00 0.45 C ATOM 422 O2' A A 17 -1.854 -3.032 -17.191 1.00 0.49 O ATOM 423 C1' A A 17 -2.278 -3.331 -14.812 1.00 0.40 C ATOM 424 N9 A A 17 -3.251 -2.842 -13.815 1.00 0.35 N ATOM 425 C8 A A 17 -3.039 -2.506 -12.501 1.00 0.35 C ATOM 426 N7 A A 17 -4.132 -2.182 -11.862 1.00 0.31 N ATOM 427 C5 A A 17 -5.130 -2.315 -12.825 1.00 0.28 C ATOM 428 C6 A A 17 -6.523 -2.121 -12.790 1.00 0.27 C ATOM 429 N6 A A 17 -7.190 -1.773 -11.695 1.00 0.30 N ATOM 430 N1 A A 17 -7.215 -2.335 -13.917 1.00 0.29 N ATOM 431 C2 A A 17 -6.563 -2.722 -15.009 1.00 0.31 C ATOM 432 N3 A A 17 -5.267 -2.941 -15.171 1.00 0.32 N ATOM 433 C4 A A 17 -4.603 -2.714 -14.018 1.00 0.30 C ATOM 0 H5' A A 17 1.604 -3.293 -13.461 1.00 0.55 H new ATOM 0 H5'' A A 17 1.833 -1.789 -14.332 1.00 0.55 H new ATOM 0 H4' A A 17 0.574 -3.408 -15.595 1.00 0.49 H new ATOM 0 H3' A A 17 -0.827 -0.808 -14.898 1.00 0.50 H new ATOM 0 H2' A A 17 -2.832 -1.630 -16.108 1.00 0.45 H new ATOM 0 HO2' A A 17 -1.004 -2.769 -17.601 1.00 0.49 H new ATOM 0 H1' A A 17 -2.706 -4.242 -15.230 1.00 0.40 H new ATOM 0 H8 A A 17 -2.063 -2.509 -12.040 1.00 0.35 H new ATOM 0 H61 A A 17 -8.201 -1.647 -11.732 1.00 0.30 H new ATOM 0 H62 A A 17 -6.691 -1.632 -10.817 1.00 0.30 H new ATOM 0 H2 A A 17 -7.175 -2.880 -15.885 1.00 0.31 H new ATOM 445 P A A 18 0.826 0.011 -16.855 1.00 0.59 P ATOM 446 OP1 A A 18 0.751 0.467 -18.262 1.00 0.74 O ATOM 447 OP2 A A 18 2.145 -0.176 -16.211 1.00 0.83 O ATOM 448 O5' A A 18 -0.046 1.013 -15.940 1.00 0.57 O ATOM 449 C5' A A 18 -0.948 1.981 -16.501 1.00 0.53 C ATOM 450 C4' A A 18 -1.850 1.405 -17.599 1.00 0.45 C ATOM 451 O4' A A 18 -2.401 0.148 -17.179 1.00 0.43 O ATOM 452 C3' A A 18 -3.071 2.259 -17.893 1.00 0.43 C ATOM 453 O3' A A 18 -2.741 3.154 -18.964 1.00 0.51 O ATOM 454 C2' A A 18 -4.063 1.250 -18.428 1.00 0.40 C ATOM 455 O2' A A 18 -3.740 0.882 -19.772 1.00 0.46 O ATOM 456 C1' A A 18 -3.811 0.092 -17.471 1.00 0.37 C ATOM 457 N9 A A 18 -4.548 0.222 -16.202 1.00 0.32 N ATOM 458 C8 A A 18 -4.045 0.192 -14.931 1.00 0.32 C ATOM 459 N7 A A 18 -4.948 0.353 -14.004 1.00 0.31 N ATOM 460 C5 A A 18 -6.132 0.494 -14.721 1.00 0.30 C ATOM 461 C6 A A 18 -7.460 0.694 -14.323 1.00 0.33 C ATOM 462 N6 A A 18 -7.833 0.798 -13.053 1.00 0.36 N ATOM 463 N1 A A 18 -8.396 0.790 -15.280 1.00 0.38 N ATOM 464 C2 A A 18 -8.024 0.693 -16.552 1.00 0.39 C ATOM 465 N3 A A 18 -6.812 0.507 -17.055 1.00 0.36 N ATOM 466 C4 A A 18 -5.901 0.415 -16.062 1.00 0.31 C ATOM 0 H5' A A 18 -0.371 2.809 -16.912 1.00 0.53 H new ATOM 0 H5'' A A 18 -1.571 2.390 -15.706 1.00 0.53 H new ATOM 0 H4' A A 18 -1.205 1.338 -18.475 1.00 0.45 H new ATOM 0 H3' A A 18 -3.428 2.831 -17.036 1.00 0.43 H new ATOM 0 H2' A A 18 -5.096 1.596 -18.470 1.00 0.40 H new ATOM 0 HO2' A A 18 -3.138 1.552 -20.159 1.00 0.46 H new ATOM 0 H1' A A 18 -4.140 -0.841 -17.929 1.00 0.37 H new ATOM 0 H8 A A 18 -2.997 0.048 -14.715 1.00 0.32 H new ATOM 0 H61 A A 18 -8.815 0.943 -12.820 1.00 0.36 H new ATOM 0 H62 A A 18 -7.137 0.732 -12.310 1.00 0.36 H new ATOM 0 H2 A A 18 -8.820 0.777 -17.277 1.00 0.39 H new ATOM 478 P U A 19 -2.249 4.655 -18.650 1.00 0.86 P ATOM 479 OP1 U A 19 -2.743 5.541 -19.730 1.00 1.22 O ATOM 480 OP2 U A 19 -0.803 4.612 -18.336 1.00 1.23 O ATOM 481 O5' U A 19 -3.049 5.007 -17.293 1.00 0.74 O ATOM 482 C5' U A 19 -4.205 5.859 -17.299 1.00 0.71 C ATOM 483 C4' U A 19 -5.363 5.264 -18.103 1.00 0.59 C ATOM 484 O4' U A 19 -5.699 3.973 -17.577 1.00 0.47 O ATOM 485 C3' U A 19 -6.654 6.066 -18.019 1.00 0.57 C ATOM 486 O3' U A 19 -6.701 6.904 -19.184 1.00 0.70 O ATOM 487 C2' U A 19 -7.733 5.010 -18.183 1.00 0.52 C ATOM 488 O2' U A 19 -7.924 4.695 -19.564 1.00 0.63 O ATOM 489 C1' U A 19 -7.123 3.825 -17.440 1.00 0.44 C ATOM 490 N1 U A 19 -7.459 3.801 -16.001 1.00 0.37 N ATOM 491 C2 U A 19 -8.792 3.724 -15.644 1.00 0.38 C ATOM 492 O2 U A 19 -9.698 3.661 -16.467 1.00 0.47 O ATOM 493 N3 U A 19 -9.051 3.695 -14.293 1.00 0.37 N ATOM 494 C4 U A 19 -8.116 3.729 -13.282 1.00 0.36 C ATOM 495 O4 U A 19 -8.478 3.682 -12.108 1.00 0.42 O ATOM 496 C5 U A 19 -6.748 3.809 -13.732 1.00 0.36 C ATOM 497 C6 U A 19 -6.472 3.842 -15.056 1.00 0.37 C ATOM 0 H5' U A 19 -3.936 6.829 -17.717 1.00 0.71 H new ATOM 0 H5'' U A 19 -4.530 6.033 -16.273 1.00 0.71 H new ATOM 0 H4' U A 19 -5.009 5.247 -19.134 1.00 0.59 H new ATOM 0 H3' U A 19 -6.752 6.661 -17.111 1.00 0.57 H new ATOM 0 H2' U A 19 -8.712 5.312 -17.811 1.00 0.52 H new ATOM 0 HO2' U A 19 -7.627 5.449 -20.116 1.00 0.63 H new ATOM 0 H1' U A 19 -7.513 2.898 -17.860 1.00 0.44 H new ATOM 0 H3 U A 19 -10.030 3.643 -14.013 1.00 0.37 H new ATOM 0 H5 U A 19 -5.944 3.843 -13.012 1.00 0.36 H new ATOM 0 H6 U A 19 -5.442 3.902 -15.376 1.00 0.37 H new ATOM 508 P G A 20 -6.672 8.510 -19.057 1.00 0.68 P ATOM 509 OP1 G A 20 -6.218 9.066 -20.352 1.00 0.89 O ATOM 510 OP2 G A 20 -5.955 8.866 -17.811 1.00 0.74 O ATOM 511 O5' G A 20 -8.231 8.876 -18.871 1.00 0.58 O ATOM 512 C5' G A 20 -8.720 9.410 -17.635 1.00 0.49 C ATOM 513 C4' G A 20 -10.214 9.149 -17.459 1.00 0.42 C ATOM 514 O4' G A 20 -10.437 7.732 -17.324 1.00 0.41 O ATOM 515 C3' G A 20 -10.817 9.736 -16.188 1.00 0.39 C ATOM 516 O3' G A 20 -11.360 11.022 -16.511 1.00 0.44 O ATOM 517 C2' G A 20 -11.978 8.797 -15.933 1.00 0.38 C ATOM 518 O2' G A 20 -13.030 9.010 -16.879 1.00 0.44 O ATOM 519 C1' G A 20 -11.274 7.474 -16.182 1.00 0.36 C ATOM 520 N9 G A 20 -10.420 7.081 -15.048 1.00 0.33 N ATOM 521 C8 G A 20 -9.105 6.700 -15.064 1.00 0.37 C ATOM 522 N7 G A 20 -8.622 6.434 -13.883 1.00 0.38 N ATOM 523 C5 G A 20 -9.695 6.655 -13.026 1.00 0.34 C ATOM 524 C6 G A 20 -9.777 6.529 -11.614 1.00 0.37 C ATOM 525 O6 G A 20 -8.905 6.163 -10.829 1.00 0.43 O ATOM 526 N1 G A 20 -11.037 6.851 -11.144 1.00 0.37 N ATOM 527 C2 G A 20 -12.091 7.242 -11.926 1.00 0.36 C ATOM 528 N2 G A 20 -13.229 7.517 -11.304 1.00 0.43 N ATOM 529 N3 G A 20 -12.034 7.362 -13.250 1.00 0.33 N ATOM 530 C4 G A 20 -10.803 7.053 -13.731 1.00 0.31 C ATOM 0 H5' G A 20 -8.532 10.483 -17.602 1.00 0.49 H new ATOM 0 H5'' G A 20 -8.172 8.965 -16.804 1.00 0.49 H new ATOM 0 H4' G A 20 -10.675 9.609 -18.333 1.00 0.42 H new ATOM 0 H3' G A 20 -10.118 9.836 -15.358 1.00 0.39 H new ATOM 0 H2' G A 20 -12.462 8.897 -14.961 1.00 0.38 H new ATOM 0 HO2' G A 20 -13.065 9.959 -17.122 1.00 0.44 H new ATOM 0 H1' G A 20 -11.993 6.667 -16.326 1.00 0.36 H new ATOM 0 H8 G A 20 -8.522 6.627 -15.970 1.00 0.37 H new ATOM 0 H1 G A 20 -11.193 6.793 -10.138 1.00 0.37 H new ATOM 0 H21 G A 20 -14.045 7.813 -11.840 1.00 0.43 H new ATOM 0 H22 G A 20 -13.289 7.433 -10.289 1.00 0.43 H new ATOM 542 P A A 21 -11.139 12.274 -15.520 1.00 0.55 P ATOM 543 OP1 A A 21 -11.972 13.398 -16.002 1.00 0.73 O ATOM 544 OP2 A A 21 -9.683 12.462 -15.332 1.00 0.69 O ATOM 545 O5' A A 21 -11.760 11.739 -14.130 1.00 0.63 O ATOM 546 C5' A A 21 -13.140 11.957 -13.805 1.00 0.64 C ATOM 547 C4' A A 21 -13.381 11.886 -12.299 1.00 0.56 C ATOM 548 O4' A A 21 -13.080 10.564 -11.828 1.00 0.55 O ATOM 549 C3' A A 21 -12.485 12.793 -11.470 1.00 0.49 C ATOM 550 O3' A A 21 -13.186 14.033 -11.293 1.00 0.61 O ATOM 551 C2' A A 21 -12.451 12.080 -10.127 1.00 0.44 C ATOM 552 O2' A A 21 -13.649 12.333 -9.386 1.00 0.56 O ATOM 553 C1' A A 21 -12.382 10.621 -10.571 1.00 0.47 C ATOM 554 N9 A A 21 -10.999 10.150 -10.777 1.00 0.39 N ATOM 555 C8 A A 21 -10.330 9.940 -11.956 1.00 0.38 C ATOM 556 N7 A A 21 -9.108 9.512 -11.793 1.00 0.37 N ATOM 557 C5 A A 21 -8.964 9.436 -10.412 1.00 0.34 C ATOM 558 C6 A A 21 -7.897 9.050 -9.587 1.00 0.34 C ATOM 559 N6 A A 21 -6.718 8.648 -10.051 1.00 0.38 N ATOM 560 N1 A A 21 -8.084 9.091 -8.259 1.00 0.36 N ATOM 561 C2 A A 21 -9.261 9.491 -7.787 1.00 0.40 C ATOM 562 N3 A A 21 -10.337 9.877 -8.453 1.00 0.41 N ATOM 563 C4 A A 21 -10.111 9.823 -9.783 1.00 0.37 C ATOM 0 H5' A A 21 -13.755 11.211 -14.308 1.00 0.64 H new ATOM 0 H5'' A A 21 -13.453 12.932 -14.178 1.00 0.64 H new ATOM 0 H4' A A 21 -14.421 12.188 -12.176 1.00 0.56 H new ATOM 0 H3' A A 21 -11.501 12.981 -11.900 1.00 0.49 H new ATOM 0 H2' A A 21 -11.637 12.390 -9.471 1.00 0.44 H new ATOM 0 HO2' A A 21 -13.614 13.235 -9.005 1.00 0.56 H new ATOM 0 H1' A A 21 -12.816 9.984 -9.800 1.00 0.47 H new ATOM 0 H8 A A 21 -10.772 10.112 -12.926 1.00 0.38 H new ATOM 0 H61 A A 21 -5.979 8.379 -9.401 1.00 0.38 H new ATOM 0 H62 A A 21 -6.552 8.608 -11.057 1.00 0.38 H new ATOM 0 H2 A A 21 -9.351 9.502 -6.711 1.00 0.40 H new ATOM 575 P G A 22 -12.551 15.236 -10.426 1.00 0.67 P ATOM 576 OP1 G A 22 -13.126 16.509 -10.916 1.00 0.94 O ATOM 577 OP2 G A 22 -11.082 15.058 -10.388 1.00 0.65 O ATOM 578 O5' G A 22 -13.141 14.953 -8.950 1.00 0.66 O ATOM 579 C5' G A 22 -12.451 15.422 -7.785 1.00 0.60 C ATOM 580 C4' G A 22 -11.801 14.275 -7.015 1.00 0.53 C ATOM 581 O4' G A 22 -10.913 13.578 -7.875 1.00 0.52 O ATOM 582 C3' G A 22 -10.922 14.713 -5.842 1.00 0.49 C ATOM 583 O3' G A 22 -11.609 14.322 -4.645 1.00 0.63 O ATOM 584 C2' G A 22 -9.646 13.853 -5.946 1.00 0.54 C ATOM 585 O2' G A 22 -9.407 13.150 -4.722 1.00 0.74 O ATOM 586 C1' G A 22 -9.977 12.876 -7.071 1.00 0.47 C ATOM 587 N9 G A 22 -8.805 12.541 -7.904 1.00 0.39 N ATOM 588 C8 G A 22 -8.677 12.649 -9.264 1.00 0.38 C ATOM 589 N7 G A 22 -7.513 12.273 -9.715 1.00 0.38 N ATOM 590 C5 G A 22 -6.821 11.887 -8.574 1.00 0.36 C ATOM 591 C6 G A 22 -5.500 11.384 -8.435 1.00 0.39 C ATOM 592 O6 G A 22 -4.667 11.177 -9.310 1.00 0.47 O ATOM 593 N1 G A 22 -5.189 11.118 -7.117 1.00 0.38 N ATOM 594 C2 G A 22 -6.036 11.308 -6.054 1.00 0.39 C ATOM 595 N2 G A 22 -5.572 10.996 -4.854 1.00 0.43 N ATOM 596 N3 G A 22 -7.278 11.778 -6.166 1.00 0.40 N ATOM 597 C4 G A 22 -7.603 12.046 -7.455 1.00 0.37 C ATOM 0 H5' G A 22 -13.150 15.947 -7.134 1.00 0.60 H new ATOM 0 H5'' G A 22 -11.687 16.142 -8.079 1.00 0.60 H new ATOM 0 H4' G A 22 -12.638 13.684 -6.644 1.00 0.53 H new ATOM 0 H3' G A 22 -10.706 15.781 -5.842 1.00 0.49 H new ATOM 0 H2' G A 22 -8.748 14.440 -6.136 1.00 0.54 H new ATOM 0 HO2' G A 22 -8.646 13.554 -4.256 1.00 0.74 H new ATOM 0 H1' G A 22 -10.342 11.934 -6.662 1.00 0.47 H new ATOM 0 H8 G A 22 -9.468 13.012 -9.904 1.00 0.38 H new ATOM 0 H1 G A 22 -4.258 10.752 -6.918 1.00 0.38 H new ATOM 0 H21 G A 22 -6.162 11.119 -4.031 1.00 0.43 H new ATOM 0 H22 G A 22 -4.624 10.633 -4.752 1.00 0.43 H new ATOM 609 P U A 23 -11.512 15.215 -3.309 1.00 0.87 P ATOM 610 OP1 U A 23 -12.311 14.556 -2.251 1.00 1.24 O ATOM 611 OP2 U A 23 -11.789 16.624 -3.671 1.00 1.00 O ATOM 612 O5' U A 23 -9.952 15.090 -2.912 1.00 0.82 O ATOM 613 C5' U A 23 -8.998 16.075 -3.335 1.00 0.76 C ATOM 614 C4' U A 23 -7.578 15.674 -2.950 1.00 0.72 C ATOM 615 O4' U A 23 -7.176 14.537 -3.713 1.00 0.68 O ATOM 616 C3' U A 23 -6.500 16.692 -3.276 1.00 0.75 C ATOM 617 O3' U A 23 -6.480 17.750 -2.314 1.00 0.88 O ATOM 618 C2' U A 23 -5.264 15.813 -3.148 1.00 0.76 C ATOM 619 O2' U A 23 -4.952 15.578 -1.769 1.00 0.88 O ATOM 620 C1' U A 23 -5.741 14.517 -3.820 1.00 0.67 C ATOM 621 N1 U A 23 -5.357 14.440 -5.244 1.00 0.60 N ATOM 622 C2 U A 23 -4.143 13.853 -5.544 1.00 0.59 C ATOM 623 O2 U A 23 -3.396 13.399 -4.684 1.00 0.64 O ATOM 624 N3 U A 23 -3.813 13.797 -6.876 1.00 0.58 N ATOM 625 C4 U A 23 -4.572 14.266 -7.924 1.00 0.58 C ATOM 626 O4 U A 23 -4.158 14.148 -9.073 1.00 0.62 O ATOM 627 C5 U A 23 -5.828 14.866 -7.536 1.00 0.57 C ATOM 628 C6 U A 23 -6.172 14.930 -6.225 1.00 0.59 C ATOM 0 H5' U A 23 -9.241 17.037 -2.884 1.00 0.76 H new ATOM 0 H5'' U A 23 -9.061 16.205 -4.415 1.00 0.76 H new ATOM 0 H4' U A 23 -7.643 15.527 -1.872 1.00 0.72 H new ATOM 0 H3' U A 23 -6.615 17.194 -4.236 1.00 0.75 H new ATOM 0 H2' U A 23 -4.363 16.242 -3.587 1.00 0.76 H new ATOM 0 HO2' U A 23 -5.250 16.341 -1.231 1.00 0.88 H new ATOM 0 HO3' U A 23 -5.776 18.390 -2.547 1.00 0.88 H new ATOM 0 H1' U A 23 -5.284 13.654 -3.336 1.00 0.67 H new ATOM 0 H3 U A 23 -2.919 13.366 -7.111 1.00 0.58 H new ATOM 0 H5 U A 23 -6.493 15.263 -8.289 1.00 0.57 H new ATOM 0 H6 U A 23 -7.114 15.380 -5.950 1.00 0.59 H new TER 640 U A 23 HETATM 641 C1 TOA A 100 -8.810 0.678 -7.695 1.00 0.35 C HETATM 642 C2 TOA A 100 -8.396 2.115 -8.004 1.00 0.37 C HETATM 643 C3 TOA A 100 -7.750 2.154 -9.390 1.00 0.40 C HETATM 644 C4 TOA A 100 -6.572 1.179 -9.452 1.00 0.42 C HETATM 645 C5 TOA A 100 -7.028 -0.218 -9.019 1.00 0.40 C HETATM 646 C6 TOA A 100 -5.891 -1.217 -8.921 1.00 0.48 C HETATM 647 O2 TOA A 100 -9.536 2.970 -7.974 1.00 0.41 O HETATM 648 N3 TOA A 100 -7.278 3.476 -9.904 1.00 0.48 N HETATM 649 O4 TOA A 100 -6.073 1.132 -10.784 1.00 0.49 O HETATM 650 O5 TOA A 100 -7.657 -0.148 -7.723 1.00 0.38 O HETATM 651 O6 TOA A 100 -6.339 -2.472 -8.423 1.00 0.52 O HETATM 0 HN33 TOA A 100 -7.935 3.824 -10.603 1.00 0.48 H new HETATM 0 HN32 TOA A 100 -7.220 4.140 -9.132 1.00 0.48 H new HETATM 0 HN31 TOA A 100 -6.357 3.367 -10.328 1.00 0.48 H new HETATM 0 HO6 TOA A 100 -5.586 -2.951 -8.019 1.00 0.52 H new HETATM 0 HO4 TOA A 100 -5.226 0.639 -10.799 1.00 0.49 H new HETATM 0 HO2 TOA A 100 -9.245 3.899 -7.857 1.00 0.41 H new HETATM 0 H62 TOA A 100 -5.441 -1.355 -9.904 1.00 0.48 H new HETATM 0 H61 TOA A 100 -5.114 -0.822 -8.267 1.00 0.48 H new HETATM 0 H5 TOA A 100 -7.720 -0.559 -9.789 1.00 0.40 H new HETATM 0 H4 TOA A 100 -5.784 1.517 -8.779 1.00 0.42 H new HETATM 0 H3 TOA A 100 -8.579 1.877 -10.042 1.00 0.40 H new HETATM 0 H2 TOA A 100 -7.684 2.461 -7.255 1.00 0.37 H new HETATM 665 C1 TOC A 102 -10.842 -4.747 -6.793 1.00 0.30 C HETATM 666 C2 TOC A 102 -9.534 -5.519 -6.994 1.00 0.30 C HETATM 667 C3 TOC A 102 -9.802 -6.881 -7.629 1.00 0.37 C HETATM 668 C4 TOC A 102 -10.835 -7.623 -6.800 1.00 0.46 C HETATM 669 C5 TOC A 102 -12.105 -6.792 -6.708 1.00 0.45 C HETATM 670 C6 TOC A 102 -13.163 -7.481 -5.866 1.00 0.64 C HETATM 671 N2 TOC A 102 -8.611 -4.729 -7.867 1.00 0.36 N HETATM 672 N6 TOC A 102 -13.425 -8.835 -6.468 1.00 1.12 N HETATM 673 O4 TOC A 102 -11.125 -8.883 -7.389 1.00 0.64 O HETATM 674 O5 TOC A 102 -11.806 -5.527 -6.091 1.00 0.38 O HETATM 0 HN63 TOC A 102 -13.890 -9.429 -5.781 1.00 1.12 H new HETATM 0 HN62 TOC A 102 -14.022 -8.733 -7.289 1.00 1.12 H new HETATM 0 HN61 TOC A 102 -12.541 -9.262 -6.743 1.00 1.12 H new HETATM 0 HN23 TOC A 102 -7.654 -5.058 -7.737 1.00 0.36 H new HETATM 0 HN22 TOC A 102 -8.881 -4.848 -8.843 1.00 0.36 H new HETATM 0 HN21 TOC A 102 -8.668 -3.742 -7.617 1.00 0.36 H new HETATM 0 HO4 TOC A 102 -10.294 -9.294 -7.707 1.00 0.64 H new HETATM 0 H62 TOC A 102 -12.824 -7.581 -4.835 1.00 0.64 H new HETATM 0 H61 TOC A 102 -14.078 -6.890 -5.845 1.00 0.64 H new HETATM 0 H5 TOC A 102 -12.485 -6.659 -7.721 1.00 0.45 H new HETATM 0 H4 TOC A 102 -10.436 -7.788 -5.799 1.00 0.46 H new HETATM 0 H32 TOC A 102 -10.160 -6.755 -8.651 1.00 0.37 H new HETATM 0 H31 TOC A 102 -8.879 -7.458 -7.684 1.00 0.37 H new HETATM 0 H2 TOC A 102 -9.071 -5.676 -6.020 1.00 0.30 H new HETATM 690 C1 2TB A 101 -12.060 -0.219 -9.112 1.00 0.31 C HETATM 691 C2 2TB A 101 -13.229 -1.200 -8.959 1.00 0.31 C HETATM 692 C3 2TB A 101 -12.772 -2.650 -9.084 1.00 0.30 C HETATM 693 C4 2TB A 101 -11.710 -2.913 -8.024 1.00 0.29 C HETATM 694 C5 2TB A 101 -10.486 -2.032 -8.290 1.00 0.30 C HETATM 695 C6 2TB A 101 -10.859 -0.542 -8.211 1.00 0.31 C HETATM 696 N1 2TB A 101 -12.506 1.196 -8.851 1.00 0.37 N HETATM 697 N3 2TB A 101 -13.944 -3.576 -8.941 1.00 0.34 N HETATM 698 O5 2TB A 101 -9.473 -2.337 -7.338 1.00 0.33 O HETATM 699 O4 2TB A 101 -11.326 -4.298 -8.028 1.00 0.29 O HETATM 700 O6 2TB A 101 -9.747 0.266 -8.652 1.00 0.32 O HETATM 0 HN33 2TB A 101 -13.623 -4.543 -8.993 1.00 0.34 H new HETATM 0 HN32 2TB A 101 -14.396 -3.416 -8.041 1.00 0.34 H new HETATM 0 HN31 2TB A 101 -14.611 -3.399 -9.692 1.00 0.34 H new HETATM 0 HN13 2TB A 101 -11.721 1.832 -8.991 1.00 0.37 H new HETATM 0 HN12 2TB A 101 -13.259 1.440 -9.494 1.00 0.37 H new HETATM 0 HN11 2TB A 101 -12.841 1.276 -7.891 1.00 0.37 H new HETATM 0 HO5 2TB A 101 -9.579 -1.762 -6.552 1.00 0.33 H new HETATM 0 H6 2TB A 101 -11.113 -0.324 -7.174 1.00 0.31 H new HETATM 0 H5 2TB A 101 -10.115 -2.233 -9.295 1.00 0.30 H new HETATM 0 H4 2TB A 101 -12.124 -2.671 -7.045 1.00 0.29 H new HETATM 0 H3 2TB A 101 -12.340 -2.831 -10.068 1.00 0.30 H new HETATM 0 H22 2TB A 101 -13.704 -1.051 -7.989 1.00 0.31 H new HETATM 0 H21 2TB A 101 -13.982 -0.989 -9.719 1.00 0.31 H new HETATM 0 H1 2TB A 101 -11.728 -0.326 -10.145 1.00 0.31 H new