USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 152 hydrogens (0 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 Single : A 1 G O2' : rot -27:sc= 0.0613 USER MOD Single : A 1 G O5' : rot 180:sc= -0.639 USER MOD Single : A 2 G O2' : rot -19:sc=-0.00583 USER MOD Single : A 3 U O2' : rot 180:sc=-0.00882 USER MOD Single : A 4 A O2' : rot -16:sc= 0.084 USER MOD Single : A 5 U O2' : rot -28:sc= 0.117 USER MOD Single : A 6 C O2' : rot 23:sc= -2.27! USER MOD Single : A 7 A O2' : rot -99:sc= 2.04 USER MOD Single : A 8 C O2' : rot 16:sc= 0.226 USER MOD Single : A 9 G O2' : rot -20:sc= 0.102 USER MOD Single : A 10 G O2' : rot -26:sc= 0.0972 USER MOD Single : A 11 U O2' : rot -17:sc= 0.08 USER MOD Single : A 12 A O2' : rot -15:sc= 0.0658 USER MOD Single : A 13 C O2' : rot 180:sc= -0.381 USER MOD Single : A 14 C O2' : rot -19:sc= 0.0981 USER MOD Single : A 14 C O3' : rot 180:sc= 0.117 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -11.206 -5.178 -2.300 1.00 0.00 O ATOM 2 C5' G A 1 -11.808 -6.082 -3.228 1.00 0.00 C ATOM 3 C4' G A 1 -11.584 -5.619 -4.649 1.00 0.00 C ATOM 4 O4' G A 1 -12.241 -4.335 -4.836 1.00 0.00 O ATOM 5 C3' G A 1 -10.133 -5.358 -5.026 1.00 0.00 C ATOM 6 O3' G A 1 -9.475 -6.559 -5.421 1.00 0.00 O ATOM 7 C2' G A 1 -10.273 -4.350 -6.158 1.00 0.00 C ATOM 8 O2' G A 1 -10.678 -4.979 -7.359 1.00 0.00 O ATOM 9 C1' G A 1 -11.430 -3.496 -5.641 1.00 0.00 C ATOM 10 N9 G A 1 -10.997 -2.365 -4.826 1.00 0.00 N ATOM 11 C8 G A 1 -10.955 -2.308 -3.455 1.00 0.00 C ATOM 12 N7 G A 1 -10.519 -1.166 -2.999 1.00 0.00 N ATOM 13 C5 G A 1 -10.256 -0.421 -4.141 1.00 0.00 C ATOM 14 C6 G A 1 -9.760 0.901 -4.280 1.00 0.00 C ATOM 15 O6 G A 1 -9.445 1.703 -3.393 1.00 0.00 O ATOM 16 N1 G A 1 -9.643 1.266 -5.617 1.00 0.00 N ATOM 17 C2 G A 1 -9.962 0.462 -6.684 1.00 0.00 C ATOM 18 N2 G A 1 -9.781 0.995 -7.901 1.00 0.00 N ATOM 19 N3 G A 1 -10.426 -0.773 -6.568 1.00 0.00 N ATOM 20 C4 G A 1 -10.546 -1.147 -5.277 1.00 0.00 C ATOM 0 H5' G A 1 -12.877 -6.156 -3.029 1.00 0.00 H new ATOM 0 H5'' G A 1 -11.389 -7.079 -3.095 1.00 0.00 H new ATOM 0 H4' G A 1 -11.969 -6.433 -5.263 1.00 0.00 H new ATOM 0 H3' G A 1 -9.516 -4.986 -4.208 1.00 0.00 H new ATOM 0 H2' G A 1 -9.349 -3.818 -6.384 1.00 0.00 H new ATOM 0 HO2' G A 1 -10.386 -5.914 -7.353 1.00 0.00 H new ATOM 0 HO5' G A 1 -11.364 -5.494 -1.386 1.00 0.00 H new ATOM 0 H1' G A 1 -11.957 -3.085 -6.502 1.00 0.00 H new ATOM 0 H8 G A 1 -11.253 -3.127 -2.817 1.00 0.00 H new ATOM 0 H1 G A 1 -9.294 2.202 -5.821 1.00 0.00 H new ATOM 0 H21 G A 1 -9.999 0.449 -8.734 1.00 0.00 H new ATOM 0 H22 G A 1 -9.425 1.946 -7.993 1.00 0.00 H new ATOM 32 P G A 2 -7.891 -6.717 -5.189 1.00 0.00 P ATOM 33 OP1 G A 2 -7.539 -8.126 -5.498 1.00 0.00 O ATOM 34 OP2 G A 2 -7.554 -6.152 -3.858 1.00 0.00 O ATOM 35 O5' G A 2 -7.235 -5.789 -6.306 1.00 0.00 O ATOM 36 C5' G A 2 -7.280 -6.163 -7.680 1.00 0.00 C ATOM 37 C4' G A 2 -6.619 -5.106 -8.532 1.00 0.00 C ATOM 38 O4' G A 2 -7.331 -3.850 -8.363 1.00 0.00 O ATOM 39 C3' G A 2 -5.178 -4.769 -8.175 1.00 0.00 C ATOM 40 O3' G A 2 -4.260 -5.679 -8.774 1.00 0.00 O ATOM 41 C2' G A 2 -5.041 -3.352 -8.713 1.00 0.00 C ATOM 42 O2' G A 2 -4.911 -3.347 -10.121 1.00 0.00 O ATOM 43 C1' G A 2 -6.407 -2.776 -8.346 1.00 0.00 C ATOM 44 N9 G A 2 -6.446 -2.166 -7.021 1.00 0.00 N ATOM 45 C8 G A 2 -6.904 -2.742 -5.861 1.00 0.00 C ATOM 46 N7 G A 2 -6.832 -1.949 -4.828 1.00 0.00 N ATOM 47 C5 G A 2 -6.281 -0.779 -5.334 1.00 0.00 C ATOM 48 C6 G A 2 -5.959 0.438 -4.684 1.00 0.00 C ATOM 49 O6 G A 2 -6.100 0.736 -3.492 1.00 0.00 O ATOM 50 N1 G A 2 -5.420 1.364 -5.570 1.00 0.00 N ATOM 51 C2 G A 2 -5.217 1.148 -6.912 1.00 0.00 C ATOM 52 N2 G A 2 -4.688 2.168 -7.603 1.00 0.00 N ATOM 53 N3 G A 2 -5.510 0.016 -7.530 1.00 0.00 N ATOM 54 C4 G A 2 -6.036 -0.897 -6.686 1.00 0.00 C ATOM 0 H5' G A 2 -8.315 -6.298 -7.994 1.00 0.00 H new ATOM 0 H5'' G A 2 -6.777 -7.120 -7.820 1.00 0.00 H new ATOM 0 H4' G A 2 -6.640 -5.529 -9.536 1.00 0.00 H new ATOM 0 H3' G A 2 -4.954 -4.844 -7.111 1.00 0.00 H new ATOM 0 H2' G A 2 -4.175 -2.818 -8.323 1.00 0.00 H new ATOM 0 HO2' G A 2 -4.636 -4.236 -10.427 1.00 0.00 H new ATOM 0 H1' G A 2 -6.643 -1.991 -9.064 1.00 0.00 H new ATOM 0 H8 G A 2 -7.286 -3.751 -5.810 1.00 0.00 H new ATOM 0 H1 G A 2 -5.155 2.275 -5.195 1.00 0.00 H new ATOM 0 H21 G A 2 -4.513 2.070 -8.603 1.00 0.00 H new ATOM 0 H22 G A 2 -4.461 3.042 -7.129 1.00 0.00 H new ATOM 66 P U A 3 -2.851 -5.977 -8.058 1.00 0.00 P ATOM 67 OP1 U A 3 -2.142 -6.995 -8.873 1.00 0.00 O ATOM 68 OP2 U A 3 -3.103 -6.236 -6.617 1.00 0.00 O ATOM 69 O5' U A 3 -2.065 -4.599 -8.189 1.00 0.00 O ATOM 70 C5' U A 3 -1.663 -4.110 -9.463 1.00 0.00 C ATOM 71 C4' U A 3 -1.054 -2.737 -9.324 1.00 0.00 C ATOM 72 O4' U A 3 -2.041 -1.850 -8.738 1.00 0.00 O ATOM 73 C3' U A 3 0.138 -2.624 -8.385 1.00 0.00 C ATOM 74 O3' U A 3 1.351 -3.000 -9.029 1.00 0.00 O ATOM 75 C2' U A 3 0.114 -1.147 -8.009 1.00 0.00 C ATOM 76 O2' U A 3 0.668 -0.349 -9.036 1.00 0.00 O ATOM 77 C1' U A 3 -1.390 -0.877 -7.942 1.00 0.00 C ATOM 78 N1 U A 3 -1.939 -0.943 -6.580 1.00 0.00 N ATOM 79 C2 U A 3 -1.772 0.165 -5.769 1.00 0.00 C ATOM 80 O2 U A 3 -1.186 1.169 -6.136 1.00 0.00 O ATOM 81 N3 U A 3 -2.316 0.053 -4.514 1.00 0.00 N ATOM 82 C4 U A 3 -2.997 -1.030 -4.000 1.00 0.00 C ATOM 83 O4 U A 3 -3.432 -0.982 -2.848 1.00 0.00 O ATOM 84 C5 U A 3 -3.124 -2.133 -4.898 1.00 0.00 C ATOM 85 C6 U A 3 -2.599 -2.062 -6.125 1.00 0.00 C ATOM 0 H5' U A 3 -2.522 -4.069 -10.133 1.00 0.00 H new ATOM 0 H5'' U A 3 -0.941 -4.793 -9.912 1.00 0.00 H new ATOM 0 H4' U A 3 -0.727 -2.493 -10.335 1.00 0.00 H new ATOM 0 H3' U A 3 0.083 -3.286 -7.521 1.00 0.00 H new ATOM 0 H2' U A 3 0.676 -0.925 -7.102 1.00 0.00 H new ATOM 0 HO2' U A 3 0.639 0.594 -8.770 1.00 0.00 H new ATOM 0 H1' U A 3 -1.558 0.139 -8.300 1.00 0.00 H new ATOM 0 H3 U A 3 -2.205 0.857 -3.896 1.00 0.00 H new ATOM 0 H5 U A 3 -3.645 -3.026 -4.585 1.00 0.00 H new ATOM 0 H6 U A 3 -2.696 -2.913 -6.783 1.00 0.00 H new ATOM 96 P A A 4 2.597 -3.513 -8.150 1.00 0.00 P ATOM 97 OP1 A A 4 3.624 -4.022 -9.094 1.00 0.00 O ATOM 98 OP2 A A 4 2.081 -4.403 -7.079 1.00 0.00 O ATOM 99 O5' A A 4 3.164 -2.189 -7.468 1.00 0.00 O ATOM 100 C5' A A 4 3.825 -1.194 -8.245 1.00 0.00 C ATOM 101 C4' A A 4 4.243 -0.037 -7.368 1.00 0.00 C ATOM 102 O4' A A 4 3.055 0.538 -6.757 1.00 0.00 O ATOM 103 C3' A A 4 5.144 -0.392 -6.192 1.00 0.00 C ATOM 104 O3' A A 4 6.519 -0.397 -6.559 1.00 0.00 O ATOM 105 C2' A A 4 4.830 0.713 -5.192 1.00 0.00 C ATOM 106 O2' A A 4 5.484 1.918 -5.540 1.00 0.00 O ATOM 107 C1' A A 4 3.331 0.894 -5.414 1.00 0.00 C ATOM 108 N9 A A 4 2.501 0.068 -4.538 1.00 0.00 N ATOM 109 C8 A A 4 1.985 -1.178 -4.791 1.00 0.00 C ATOM 110 N7 A A 4 1.256 -1.657 -3.812 1.00 0.00 N ATOM 111 C5 A A 4 1.305 -0.663 -2.845 1.00 0.00 C ATOM 112 C6 A A 4 0.736 -0.561 -1.563 1.00 0.00 C ATOM 113 N6 A A 4 -0.028 -1.509 -1.014 1.00 0.00 N ATOM 114 N1 A A 4 0.981 0.563 -0.856 1.00 0.00 N ATOM 115 C2 A A 4 1.747 1.513 -1.406 1.00 0.00 C ATOM 116 N3 A A 4 2.335 1.533 -2.600 1.00 0.00 N ATOM 117 C4 A A 4 2.071 0.403 -3.277 1.00 0.00 C ATOM 0 H5' A A 4 3.162 -0.840 -9.035 1.00 0.00 H new ATOM 0 H5'' A A 4 4.700 -1.625 -8.732 1.00 0.00 H new ATOM 0 H4' A A 4 4.793 0.624 -8.038 1.00 0.00 H new ATOM 0 H3' A A 4 4.967 -1.394 -5.800 1.00 0.00 H new ATOM 0 H2' A A 4 5.135 0.475 -4.173 1.00 0.00 H new ATOM 0 HO2' A A 4 6.197 1.729 -6.185 1.00 0.00 H new ATOM 0 H1' A A 4 3.087 1.932 -5.188 1.00 0.00 H new ATOM 0 H8 A A 4 2.163 -1.715 -5.711 1.00 0.00 H new ATOM 0 H61 A A 4 -0.412 -1.376 -0.079 1.00 0.00 H new ATOM 0 H62 A A 4 -0.227 -2.366 -1.530 1.00 0.00 H new ATOM 0 H2 A A 4 1.911 2.388 -0.794 1.00 0.00 H new ATOM 129 P U A 5 7.564 -1.291 -5.726 1.00 0.00 P ATOM 130 OP1 U A 5 8.893 -1.138 -6.371 1.00 0.00 O ATOM 131 OP2 U A 5 6.984 -2.647 -5.553 1.00 0.00 O ATOM 132 O5' U A 5 7.625 -0.587 -4.297 1.00 0.00 O ATOM 133 C5' U A 5 8.231 0.692 -4.133 1.00 0.00 C ATOM 134 C4' U A 5 7.868 1.269 -2.785 1.00 0.00 C ATOM 135 O4' U A 5 6.425 1.201 -2.624 1.00 0.00 O ATOM 136 C3' U A 5 8.428 0.515 -1.586 1.00 0.00 C ATOM 137 O3' U A 5 9.727 0.977 -1.237 1.00 0.00 O ATOM 138 C2' U A 5 7.405 0.808 -0.497 1.00 0.00 C ATOM 139 O2' U A 5 7.599 2.097 0.052 1.00 0.00 O ATOM 140 C1' U A 5 6.105 0.813 -1.300 1.00 0.00 C ATOM 141 N1 U A 5 5.439 -0.496 -1.358 1.00 0.00 N ATOM 142 C2 U A 5 4.544 -0.817 -0.351 1.00 0.00 C ATOM 143 O2 U A 5 4.293 -0.066 0.580 1.00 0.00 O ATOM 144 N3 U A 5 3.953 -2.050 -0.476 1.00 0.00 N ATOM 145 C4 U A 5 4.162 -2.974 -1.478 1.00 0.00 C ATOM 146 O4 U A 5 3.550 -4.044 -1.454 1.00 0.00 O ATOM 147 C5 U A 5 5.103 -2.569 -2.473 1.00 0.00 C ATOM 148 C6 U A 5 5.698 -1.375 -2.385 1.00 0.00 C ATOM 0 H5' U A 5 7.901 1.364 -4.926 1.00 0.00 H new ATOM 0 H5'' U A 5 9.314 0.604 -4.220 1.00 0.00 H new ATOM 0 H4' U A 5 8.287 2.275 -2.791 1.00 0.00 H new ATOM 0 H3' U A 5 8.561 -0.551 -1.769 1.00 0.00 H new ATOM 0 H2' U A 5 7.446 0.104 0.334 1.00 0.00 H new ATOM 0 HO2' U A 5 8.543 2.348 -0.029 1.00 0.00 H new ATOM 0 H1' U A 5 5.416 1.497 -0.804 1.00 0.00 H new ATOM 0 H3 U A 5 3.287 -2.311 0.251 1.00 0.00 H new ATOM 0 H5 U A 5 5.334 -3.228 -3.297 1.00 0.00 H new ATOM 0 H6 U A 5 6.408 -1.090 -3.147 1.00 0.00 H new ATOM 159 P C A 6 10.598 0.164 -0.159 1.00 0.00 P ATOM 160 OP1 C A 6 11.682 1.066 0.307 1.00 0.00 O ATOM 161 OP2 C A 6 10.943 -1.158 -0.740 1.00 0.00 O ATOM 162 O5' C A 6 9.593 -0.069 1.055 1.00 0.00 O ATOM 163 C5' C A 6 9.880 0.447 2.352 1.00 0.00 C ATOM 164 C4' C A 6 8.804 0.031 3.328 1.00 0.00 C ATOM 165 O4' C A 6 7.552 -0.133 2.608 1.00 0.00 O ATOM 166 C3' C A 6 9.027 -1.309 4.014 1.00 0.00 C ATOM 167 O3' C A 6 9.838 -1.174 5.178 1.00 0.00 O ATOM 168 C2' C A 6 7.608 -1.749 4.350 1.00 0.00 C ATOM 169 O2' C A 6 7.124 -1.083 5.499 1.00 0.00 O ATOM 170 C1' C A 6 6.837 -1.237 3.134 1.00 0.00 C ATOM 171 N1 C A 6 6.686 -2.242 2.071 1.00 0.00 N ATOM 172 C2 C A 6 5.535 -3.034 2.046 1.00 0.00 C ATOM 173 O2 C A 6 4.672 -2.863 2.920 1.00 0.00 O ATOM 174 N3 C A 6 5.391 -3.962 1.072 1.00 0.00 N ATOM 175 C4 C A 6 6.345 -4.113 0.150 1.00 0.00 C ATOM 176 N4 C A 6 6.162 -5.041 -0.792 1.00 0.00 N ATOM 177 C5 C A 6 7.529 -3.320 0.152 1.00 0.00 C ATOM 178 C6 C A 6 7.655 -2.404 1.121 1.00 0.00 C ATOM 0 H5' C A 6 9.945 1.534 2.313 1.00 0.00 H new ATOM 0 H5'' C A 6 10.850 0.082 2.691 1.00 0.00 H new ATOM 0 H4' C A 6 8.807 0.817 4.083 1.00 0.00 H new ATOM 0 H3' C A 6 9.562 -2.031 3.397 1.00 0.00 H new ATOM 0 H2' C A 6 7.525 -2.818 4.549 1.00 0.00 H new ATOM 0 HO2' C A 6 7.618 -0.246 5.624 1.00 0.00 H new ATOM 0 H1' C A 6 5.833 -0.972 3.465 1.00 0.00 H new ATOM 0 H41 C A 6 6.870 -5.183 -1.512 1.00 0.00 H new ATOM 0 H42 C A 6 5.314 -5.608 -0.792 1.00 0.00 H new ATOM 0 H5 C A 6 8.295 -3.452 -0.598 1.00 0.00 H new ATOM 0 H6 C A 6 8.538 -1.783 1.152 1.00 0.00 H new ATOM 190 P A A 7 10.936 -2.298 5.528 1.00 0.00 P ATOM 191 OP1 A A 7 12.268 -1.643 5.475 1.00 0.00 O ATOM 192 OP2 A A 7 10.675 -3.497 4.692 1.00 0.00 O ATOM 193 O5' A A 7 10.634 -2.675 7.046 1.00 0.00 O ATOM 194 C5' A A 7 9.510 -3.483 7.390 1.00 0.00 C ATOM 195 C4' A A 7 9.167 -3.302 8.850 1.00 0.00 C ATOM 196 O4' A A 7 9.357 -1.901 9.184 1.00 0.00 O ATOM 197 C3' A A 7 7.721 -3.623 9.212 1.00 0.00 C ATOM 198 O3' A A 7 7.620 -4.165 10.524 1.00 0.00 O ATOM 199 C2' A A 7 7.024 -2.274 9.082 1.00 0.00 C ATOM 200 O2' A A 7 5.930 -2.172 9.974 1.00 0.00 O ATOM 201 C1' A A 7 8.121 -1.323 9.550 1.00 0.00 C ATOM 202 N9 A A 7 8.040 0.000 8.934 1.00 0.00 N ATOM 203 C8 A A 7 8.030 0.288 7.592 1.00 0.00 C ATOM 204 N7 A A 7 7.954 1.570 7.328 1.00 0.00 N ATOM 205 C5 A A 7 7.911 2.166 8.581 1.00 0.00 C ATOM 206 C6 A A 7 7.828 3.509 8.987 1.00 0.00 C ATOM 207 N6 A A 7 7.773 4.537 8.138 1.00 0.00 N ATOM 208 N1 A A 7 7.805 3.763 10.314 1.00 0.00 N ATOM 209 C2 A A 7 7.861 2.732 11.165 1.00 0.00 C ATOM 210 N3 A A 7 7.942 1.428 10.905 1.00 0.00 N ATOM 211 C4 A A 7 7.963 1.210 9.579 1.00 0.00 C ATOM 0 H5' A A 7 9.730 -4.531 7.188 1.00 0.00 H new ATOM 0 H5'' A A 7 8.655 -3.212 6.771 1.00 0.00 H new ATOM 0 H4' A A 7 9.811 -3.993 9.394 1.00 0.00 H new ATOM 0 H3' A A 7 7.273 -4.385 8.574 1.00 0.00 H new ATOM 0 H2' A A 7 6.630 -2.089 8.083 1.00 0.00 H new ATOM 0 HO2' A A 7 5.098 -2.365 9.494 1.00 0.00 H new ATOM 0 H1' A A 7 8.012 -1.184 10.626 1.00 0.00 H new ATOM 0 H8 A A 7 8.080 -0.471 6.825 1.00 0.00 H new ATOM 0 H61 A A 7 7.714 5.491 8.495 1.00 0.00 H new ATOM 0 H62 A A 7 7.790 4.369 7.132 1.00 0.00 H new ATOM 0 H2 A A 7 7.837 2.995 12.212 1.00 0.00 H new ATOM 223 P C A 8 7.469 -5.755 10.719 1.00 0.00 P ATOM 224 OP1 C A 8 6.773 -5.980 12.012 1.00 0.00 O ATOM 225 OP2 C A 8 8.794 -6.380 10.481 1.00 0.00 O ATOM 226 O5' C A 8 6.486 -6.197 9.545 1.00 0.00 O ATOM 227 C5' C A 8 5.112 -5.820 9.564 1.00 0.00 C ATOM 228 C4' C A 8 4.334 -6.611 8.538 1.00 0.00 C ATOM 229 O4' C A 8 4.704 -6.149 7.205 1.00 0.00 O ATOM 230 C3' C A 8 4.590 -8.118 8.533 1.00 0.00 C ATOM 231 O3' C A 8 3.403 -8.854 8.257 1.00 0.00 O ATOM 232 C2' C A 8 5.611 -8.290 7.416 1.00 0.00 C ATOM 233 O2' C A 8 5.518 -9.570 6.822 1.00 0.00 O ATOM 234 C1' C A 8 5.111 -7.251 6.422 1.00 0.00 C ATOM 235 N1 C A 8 6.110 -6.794 5.443 1.00 0.00 N ATOM 236 C2 C A 8 6.117 -7.367 4.167 1.00 0.00 C ATOM 237 O2 C A 8 5.288 -8.250 3.902 1.00 0.00 O ATOM 238 N3 C A 8 7.026 -6.944 3.258 1.00 0.00 N ATOM 239 C4 C A 8 7.902 -5.992 3.586 1.00 0.00 C ATOM 240 N4 C A 8 8.774 -5.592 2.659 1.00 0.00 N ATOM 241 C5 C A 8 7.923 -5.401 4.880 1.00 0.00 C ATOM 242 C6 C A 8 7.015 -5.824 5.768 1.00 0.00 C ATOM 0 H5' C A 8 5.018 -4.754 9.358 1.00 0.00 H new ATOM 0 H5'' C A 8 4.695 -5.991 10.557 1.00 0.00 H new ATOM 0 H4' C A 8 3.290 -6.448 8.804 1.00 0.00 H new ATOM 0 H3' C A 8 4.935 -8.490 9.498 1.00 0.00 H new ATOM 0 H2' C A 8 6.644 -8.184 7.746 1.00 0.00 H new ATOM 0 HO2' C A 8 4.665 -9.985 7.070 1.00 0.00 H new ATOM 0 H1' C A 8 4.318 -7.701 5.824 1.00 0.00 H new ATOM 0 H41 C A 8 9.456 -4.866 2.880 1.00 0.00 H new ATOM 0 H42 C A 8 8.759 -6.012 1.730 1.00 0.00 H new ATOM 0 H5 C A 8 8.645 -4.639 5.136 1.00 0.00 H new ATOM 0 H6 C A 8 6.998 -5.391 6.757 1.00 0.00 H new ATOM 254 P G A 9 2.225 -8.916 9.349 1.00 0.00 P ATOM 255 OP1 G A 9 2.482 -7.863 10.363 1.00 0.00 O ATOM 256 OP2 G A 9 2.079 -10.329 9.782 1.00 0.00 O ATOM 257 O5' G A 9 0.920 -8.518 8.525 1.00 0.00 O ATOM 258 C5' G A 9 0.675 -7.168 8.137 1.00 0.00 C ATOM 259 C4' G A 9 0.448 -6.310 9.359 1.00 0.00 C ATOM 260 O4' G A 9 1.698 -5.693 9.759 1.00 0.00 O ATOM 261 C3' G A 9 -0.495 -5.131 9.171 1.00 0.00 C ATOM 262 O3' G A 9 -1.857 -5.525 9.288 1.00 0.00 O ATOM 263 C2' G A 9 -0.072 -4.184 10.289 1.00 0.00 C ATOM 264 O2' G A 9 -0.642 -4.569 11.525 1.00 0.00 O ATOM 265 C1' G A 9 1.436 -4.434 10.353 1.00 0.00 C ATOM 266 N9 G A 9 2.230 -3.423 9.664 1.00 0.00 N ATOM 267 C8 G A 9 2.667 -2.234 10.188 1.00 0.00 C ATOM 268 N7 G A 9 3.362 -1.522 9.345 1.00 0.00 N ATOM 269 C5 G A 9 3.389 -2.292 8.190 1.00 0.00 C ATOM 270 C6 G A 9 3.997 -2.041 6.934 1.00 0.00 C ATOM 271 O6 G A 9 4.654 -1.055 6.579 1.00 0.00 O ATOM 272 N1 G A 9 3.780 -3.087 6.042 1.00 0.00 N ATOM 273 C2 G A 9 3.065 -4.226 6.322 1.00 0.00 C ATOM 274 N2 G A 9 2.964 -5.120 5.328 1.00 0.00 N ATOM 275 N3 G A 9 2.492 -4.472 7.489 1.00 0.00 N ATOM 276 C4 G A 9 2.693 -3.469 8.370 1.00 0.00 C ATOM 0 H5' G A 9 -0.196 -7.122 7.484 1.00 0.00 H new ATOM 0 H5'' G A 9 1.522 -6.786 7.567 1.00 0.00 H new ATOM 0 H4' G A 9 0.017 -7.004 10.080 1.00 0.00 H new ATOM 0 H3' G A 9 -0.432 -4.677 8.182 1.00 0.00 H new ATOM 0 H2' G A 9 -0.371 -3.151 10.111 1.00 0.00 H new ATOM 0 HO2' G A 9 -1.419 -5.144 11.362 1.00 0.00 H new ATOM 0 H1' G A 9 1.724 -4.398 11.404 1.00 0.00 H new ATOM 0 H8 G A 9 2.456 -1.918 11.199 1.00 0.00 H new ATOM 0 H1 G A 9 4.183 -3.001 5.109 1.00 0.00 H new ATOM 0 H21 G A 9 2.446 -5.987 5.472 1.00 0.00 H new ATOM 0 H22 G A 9 3.405 -4.933 4.427 1.00 0.00 H new ATOM 288 P G A 10 -3.021 -4.475 8.932 1.00 0.00 P ATOM 289 OP1 G A 10 -3.553 -3.951 10.216 1.00 0.00 O ATOM 290 OP2 G A 10 -3.946 -5.114 7.961 1.00 0.00 O ATOM 291 O5' G A 10 -2.256 -3.291 8.190 1.00 0.00 O ATOM 292 C5' G A 10 -2.803 -1.975 8.147 1.00 0.00 C ATOM 293 C4' G A 10 -1.736 -0.959 8.488 1.00 0.00 C ATOM 294 O4' G A 10 -0.435 -1.575 8.294 1.00 0.00 O ATOM 295 C3' G A 10 -1.719 0.283 7.607 1.00 0.00 C ATOM 296 O3' G A 10 -2.588 1.286 8.126 1.00 0.00 O ATOM 297 C2' G A 10 -0.254 0.704 7.644 1.00 0.00 C ATOM 298 O2' G A 10 0.046 1.400 8.838 1.00 0.00 O ATOM 299 C1' G A 10 0.449 -0.653 7.683 1.00 0.00 C ATOM 300 N9 G A 10 0.805 -1.180 6.370 1.00 0.00 N ATOM 301 C8 G A 10 0.511 -2.429 5.882 1.00 0.00 C ATOM 302 N7 G A 10 0.960 -2.630 4.674 1.00 0.00 N ATOM 303 C5 G A 10 1.589 -1.439 4.340 1.00 0.00 C ATOM 304 C6 G A 10 2.264 -1.061 3.153 1.00 0.00 C ATOM 305 O6 G A 10 2.443 -1.724 2.127 1.00 0.00 O ATOM 306 N1 G A 10 2.757 0.237 3.233 1.00 0.00 N ATOM 307 C2 G A 10 2.615 1.068 4.319 1.00 0.00 C ATOM 308 N2 G A 10 3.159 2.288 4.204 1.00 0.00 N ATOM 309 N3 G A 10 1.986 0.728 5.434 1.00 0.00 N ATOM 310 C4 G A 10 1.502 -0.531 5.376 1.00 0.00 C ATOM 0 H5' G A 10 -3.632 -1.894 8.850 1.00 0.00 H new ATOM 0 H5'' G A 10 -3.206 -1.772 7.155 1.00 0.00 H new ATOM 0 H4' G A 10 -1.956 -0.653 9.511 1.00 0.00 H new ATOM 0 H3' G A 10 -2.076 0.110 6.592 1.00 0.00 H new ATOM 0 H2' G A 10 0.028 1.359 6.819 1.00 0.00 H new ATOM 0 HO2' G A 10 -0.767 1.826 9.181 1.00 0.00 H new ATOM 0 H1' G A 10 1.381 -0.515 8.231 1.00 0.00 H new ATOM 0 H8 G A 10 -0.038 -3.171 6.443 1.00 0.00 H new ATOM 0 H1 G A 10 3.262 0.600 2.425 1.00 0.00 H new ATOM 0 H21 G A 10 3.088 2.953 4.975 1.00 0.00 H new ATOM 0 H22 G A 10 3.643 2.552 3.346 1.00 0.00 H new ATOM 322 P U A 11 -3.545 2.109 7.131 1.00 0.00 P ATOM 323 OP1 U A 11 -4.439 2.950 7.966 1.00 0.00 O ATOM 324 OP2 U A 11 -4.133 1.160 6.152 1.00 0.00 O ATOM 325 O5' U A 11 -2.542 3.072 6.355 1.00 0.00 O ATOM 326 C5' U A 11 -1.900 4.151 7.026 1.00 0.00 C ATOM 327 C4' U A 11 -0.915 4.821 6.100 1.00 0.00 C ATOM 328 O4' U A 11 0.075 3.838 5.692 1.00 0.00 O ATOM 329 C3' U A 11 -1.502 5.344 4.797 1.00 0.00 C ATOM 330 O3' U A 11 -2.016 6.663 4.952 1.00 0.00 O ATOM 331 C2' U A 11 -0.307 5.288 3.853 1.00 0.00 C ATOM 332 O2' U A 11 0.571 6.375 4.074 1.00 0.00 O ATOM 333 C1' U A 11 0.380 4.006 4.320 1.00 0.00 C ATOM 334 N1 U A 11 -0.060 2.803 3.599 1.00 0.00 N ATOM 335 C2 U A 11 0.454 2.589 2.334 1.00 0.00 C ATOM 336 O2 U A 11 1.233 3.359 1.799 1.00 0.00 O ATOM 337 N3 U A 11 0.021 1.441 1.717 1.00 0.00 N ATOM 338 C4 U A 11 -0.855 0.506 2.226 1.00 0.00 C ATOM 339 O4 U A 11 -1.145 -0.484 1.552 1.00 0.00 O ATOM 340 C5 U A 11 -1.347 0.803 3.535 1.00 0.00 C ATOM 341 C6 U A 11 -0.948 1.913 4.164 1.00 0.00 C ATOM 0 H5' U A 11 -1.385 3.783 7.914 1.00 0.00 H new ATOM 0 H5'' U A 11 -2.643 4.873 7.364 1.00 0.00 H new ATOM 0 H4' U A 11 -0.526 5.666 6.669 1.00 0.00 H new ATOM 0 H3' U A 11 -2.354 4.769 4.433 1.00 0.00 H new ATOM 0 H2' U A 11 -0.586 5.321 2.800 1.00 0.00 H new ATOM 0 HO2' U A 11 0.108 7.071 4.585 1.00 0.00 H new ATOM 0 H1' U A 11 1.448 4.114 4.128 1.00 0.00 H new ATOM 0 H3 U A 11 0.387 1.261 0.782 1.00 0.00 H new ATOM 0 H5 U A 11 -2.041 0.130 4.016 1.00 0.00 H new ATOM 0 H6 U A 11 -1.335 2.120 5.151 1.00 0.00 H new ATOM 352 P A A 12 -3.237 7.159 4.032 1.00 0.00 P ATOM 353 OP1 A A 12 -3.681 8.475 4.557 1.00 0.00 O ATOM 354 OP2 A A 12 -4.218 6.049 3.912 1.00 0.00 O ATOM 355 O5' A A 12 -2.573 7.396 2.604 1.00 0.00 O ATOM 356 C5' A A 12 -1.648 8.459 2.397 1.00 0.00 C ATOM 357 C4' A A 12 -1.112 8.415 0.986 1.00 0.00 C ATOM 358 O4' A A 12 -0.440 7.143 0.780 1.00 0.00 O ATOM 359 C3' A A 12 -2.162 8.475 -0.115 1.00 0.00 C ATOM 360 O3' A A 12 -2.509 9.817 -0.438 1.00 0.00 O ATOM 361 C2' A A 12 -1.466 7.765 -1.269 1.00 0.00 C ATOM 362 O2' A A 12 -0.524 8.612 -1.899 1.00 0.00 O ATOM 363 C1' A A 12 -0.711 6.665 -0.525 1.00 0.00 C ATOM 364 N9 A A 12 -1.461 5.414 -0.414 1.00 0.00 N ATOM 365 C8 A A 12 -2.203 4.959 0.649 1.00 0.00 C ATOM 366 N7 A A 12 -2.753 3.787 0.445 1.00 0.00 N ATOM 367 C5 A A 12 -2.352 3.450 -0.840 1.00 0.00 C ATOM 368 C6 A A 12 -2.606 2.327 -1.645 1.00 0.00 C ATOM 369 N6 A A 12 -3.355 1.293 -1.257 1.00 0.00 N ATOM 370 N1 A A 12 -2.056 2.302 -2.878 1.00 0.00 N ATOM 371 C2 A A 12 -1.305 3.340 -3.267 1.00 0.00 C ATOM 372 N3 A A 12 -0.995 4.450 -2.602 1.00 0.00 N ATOM 373 C4 A A 12 -1.557 4.443 -1.381 1.00 0.00 C ATOM 0 H5' A A 12 -0.826 8.380 3.109 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.136 9.416 2.579 1.00 0.00 H new ATOM 0 H4' A A 12 -0.476 9.297 0.910 1.00 0.00 H new ATOM 0 H3' A A 12 -3.111 8.015 0.160 1.00 0.00 H new ATOM 0 H2' A A 12 -2.151 7.429 -2.048 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.685 9.540 -1.627 1.00 0.00 H new ATOM 0 H1' A A 12 0.193 6.441 -1.091 1.00 0.00 H new ATOM 0 H8 A A 12 -2.322 5.515 1.567 1.00 0.00 H new ATOM 0 H61 A A 12 -3.503 0.505 -1.888 1.00 0.00 H new ATOM 0 H62 A A 12 -3.780 1.290 -0.330 1.00 0.00 H new ATOM 0 H2 A A 12 -0.892 3.266 -4.262 1.00 0.00 H new ATOM 385 P C A 13 -3.944 10.135 -1.091 1.00 0.00 P ATOM 386 OP1 C A 13 -4.097 11.612 -1.122 1.00 0.00 O ATOM 387 OP2 C A 13 -4.967 9.307 -0.403 1.00 0.00 O ATOM 388 O5' C A 13 -3.811 9.622 -2.594 1.00 0.00 O ATOM 389 C5' C A 13 -2.998 10.318 -3.534 1.00 0.00 C ATOM 390 C4' C A 13 -3.066 9.642 -4.883 1.00 0.00 C ATOM 391 O4' C A 13 -2.560 8.286 -4.763 1.00 0.00 O ATOM 392 C3' C A 13 -4.462 9.466 -5.459 1.00 0.00 C ATOM 393 O3' C A 13 -4.907 10.635 -6.136 1.00 0.00 O ATOM 394 C2' C A 13 -4.278 8.288 -6.407 1.00 0.00 C ATOM 395 O2' C A 13 -3.665 8.694 -7.615 1.00 0.00 O ATOM 396 C1' C A 13 -3.287 7.427 -5.625 1.00 0.00 C ATOM 397 N1 C A 13 -3.930 6.386 -4.808 1.00 0.00 N ATOM 398 C2 C A 13 -4.188 5.140 -5.384 1.00 0.00 C ATOM 399 O2 C A 13 -3.877 4.952 -6.569 1.00 0.00 O ATOM 400 N3 C A 13 -4.768 4.173 -4.636 1.00 0.00 N ATOM 401 C4 C A 13 -5.087 4.417 -3.363 1.00 0.00 C ATOM 402 N4 C A 13 -5.654 3.433 -2.661 1.00 0.00 N ATOM 403 C5 C A 13 -4.841 5.681 -2.752 1.00 0.00 C ATOM 404 C6 C A 13 -4.270 6.629 -3.506 1.00 0.00 C ATOM 0 H5' C A 13 -1.966 10.345 -3.184 1.00 0.00 H new ATOM 0 H5'' C A 13 -3.332 11.352 -3.620 1.00 0.00 H new ATOM 0 H4' C A 13 -2.492 10.300 -5.536 1.00 0.00 H new ATOM 0 H3' C A 13 -5.226 9.293 -4.702 1.00 0.00 H new ATOM 0 H2' C A 13 -5.215 7.803 -6.680 1.00 0.00 H new ATOM 0 HO2' C A 13 -3.558 7.918 -8.204 1.00 0.00 H new ATOM 0 H1' C A 13 -2.652 6.915 -6.348 1.00 0.00 H new ATOM 0 H41 C A 13 -5.911 3.585 -1.686 1.00 0.00 H new ATOM 0 H42 C A 13 -5.830 2.529 -3.100 1.00 0.00 H new ATOM 0 H5 C A 13 -5.105 5.867 -1.721 1.00 0.00 H new ATOM 0 H6 C A 13 -4.075 7.601 -3.079 1.00 0.00 H new ATOM 416 P C A 14 -6.479 10.962 -6.215 1.00 0.00 P ATOM 417 OP1 C A 14 -6.629 12.259 -6.922 1.00 0.00 O ATOM 418 OP2 C A 14 -7.059 10.794 -4.859 1.00 0.00 O ATOM 419 O5' C A 14 -7.062 9.815 -7.155 1.00 0.00 O ATOM 420 C5' C A 14 -6.679 9.726 -8.524 1.00 0.00 C ATOM 421 C4' C A 14 -7.345 8.537 -9.175 1.00 0.00 C ATOM 422 O4' C A 14 -6.838 7.318 -8.575 1.00 0.00 O ATOM 423 C3' C A 14 -8.851 8.443 -8.981 1.00 0.00 C ATOM 424 O3' C A 14 -9.570 9.248 -9.918 1.00 0.00 O ATOM 425 C2' C A 14 -9.116 6.954 -9.174 1.00 0.00 C ATOM 426 O2' C A 14 -9.162 6.619 -10.547 1.00 0.00 O ATOM 427 C1' C A 14 -7.856 6.334 -8.565 1.00 0.00 C ATOM 428 N1 C A 14 -8.037 5.868 -7.181 1.00 0.00 N ATOM 429 C2 C A 14 -8.444 4.549 -6.960 1.00 0.00 C ATOM 430 O2 C A 14 -8.642 3.812 -7.937 1.00 0.00 O ATOM 431 N3 C A 14 -8.610 4.112 -5.691 1.00 0.00 N ATOM 432 C4 C A 14 -8.386 4.939 -4.667 1.00 0.00 C ATOM 433 N4 C A 14 -8.561 4.467 -3.431 1.00 0.00 N ATOM 434 C5 C A 14 -7.971 6.289 -4.863 1.00 0.00 C ATOM 435 C6 C A 14 -7.811 6.707 -6.125 1.00 0.00 C ATOM 0 H5' C A 14 -5.596 9.633 -8.601 1.00 0.00 H new ATOM 0 H5'' C A 14 -6.958 10.640 -9.048 1.00 0.00 H new ATOM 0 H4' C A 14 -7.128 8.663 -10.236 1.00 0.00 H new ATOM 0 H3' C A 14 -9.184 8.817 -8.013 1.00 0.00 H new ATOM 0 H2' C A 14 -10.059 6.627 -8.737 1.00 0.00 H new ATOM 0 HO2' C A 14 -9.311 7.430 -11.077 1.00 0.00 H new ATOM 0 HO3' C A 14 -10.532 9.156 -9.758 1.00 0.00 H new ATOM 0 H1' C A 14 -7.602 5.459 -9.163 1.00 0.00 H new ATOM 0 H41 C A 14 -8.398 5.072 -2.626 1.00 0.00 H new ATOM 0 H42 C A 14 -8.857 3.501 -3.291 1.00 0.00 H new ATOM 0 H5 C A 14 -7.793 6.948 -4.026 1.00 0.00 H new ATOM 0 H6 C A 14 -7.498 7.724 -6.312 1.00 0.00 H new TER 448 C A 14