USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -21:sc= 0.276 USER MOD Single : A 1 G O5' : rot 180:sc= -0.433 USER MOD Single : A 2 G O2' : rot -19:sc= 0.308 USER MOD Single : A 3 U O2' : rot -5:sc= 0.0628 USER MOD Single : A 4 U O2' : rot -14:sc= 0.348 USER MOD Single : A 5 C O2' : rot -20:sc= 0.372 USER MOD Single : A 6 A O2' : rot 3:sc= -2.62! USER MOD Single : A 7 G O2' : rot -29:sc= 0.697 USER MOD Single : A 8 A O2' : rot -155:sc= -7.91! USER MOD Single : A 9 A O2' : rot 8:sc= 0.49 USER MOD Single : A 10 G O2' : rot -118:sc= 0.599 USER MOD Single : A 11 A O2' : rot -22:sc= 0.354 USER MOD Single : A 12 A O2' : rot -23:sc= 0.342 USER MOD Single : A 13 C O2' : rot -116:sc= 0.435 USER MOD Single : A 14 C O2' : rot -18:sc= 0.206 USER MOD Single : A 14 C O3' : rot 180:sc= 0.195 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.736 -6.548 -9.359 1.00 0.00 O ATOM 2 C5' G A 1 -6.103 -6.792 -9.699 1.00 0.00 C ATOM 3 C4' G A 1 -6.769 -7.738 -8.705 1.00 0.00 C ATOM 4 O4' G A 1 -6.018 -8.949 -8.556 1.00 0.00 O ATOM 5 C3' G A 1 -6.834 -7.116 -7.317 1.00 0.00 C ATOM 6 O3' G A 1 -8.109 -6.490 -7.159 1.00 0.00 O ATOM 7 C2' G A 1 -6.774 -8.321 -6.397 1.00 0.00 C ATOM 8 O2' G A 1 -8.071 -8.893 -6.194 1.00 0.00 O ATOM 9 C1' G A 1 -5.859 -9.267 -7.164 1.00 0.00 C ATOM 10 N9 G A 1 -4.457 -9.096 -6.737 1.00 0.00 N ATOM 11 C8 G A 1 -3.424 -8.502 -7.381 1.00 0.00 C ATOM 12 N7 G A 1 -2.284 -8.463 -6.775 1.00 0.00 N ATOM 13 C5 G A 1 -2.578 -9.111 -5.572 1.00 0.00 C ATOM 14 C6 G A 1 -1.739 -9.395 -4.462 1.00 0.00 C ATOM 15 O6 G A 1 -0.549 -9.124 -4.316 1.00 0.00 O ATOM 16 N1 G A 1 -2.429 -10.061 -3.459 1.00 0.00 N ATOM 17 C2 G A 1 -3.763 -10.415 -3.510 1.00 0.00 C ATOM 18 N2 G A 1 -4.245 -11.053 -2.444 1.00 0.00 N ATOM 19 N3 G A 1 -4.560 -10.153 -4.550 1.00 0.00 N ATOM 20 C4 G A 1 -3.909 -9.503 -5.542 1.00 0.00 C ATOM 0 H5' G A 1 -6.159 -7.218 -10.701 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.647 -5.848 -9.723 1.00 0.00 H new ATOM 0 H4' G A 1 -7.765 -7.937 -9.100 1.00 0.00 H new ATOM 0 H3' G A 1 -6.053 -6.379 -7.129 1.00 0.00 H new ATOM 0 H2' G A 1 -6.417 -8.087 -5.394 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.759 -8.227 -6.404 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.339 -5.940 -10.017 1.00 0.00 H new ATOM 0 H1' G A 1 -6.119 -10.308 -6.973 1.00 0.00 H new ATOM 0 H8 G A 1 -3.549 -8.076 -8.366 1.00 0.00 H new ATOM 0 H1 G A 1 -1.910 -10.309 -2.617 1.00 0.00 H new ATOM 0 H21 G A 1 -5.223 -11.341 -2.421 1.00 0.00 H new ATOM 0 H22 G A 1 -3.636 -11.253 -1.651 1.00 0.00 H new ATOM 33 P G A 2 -8.266 -5.178 -6.237 1.00 0.00 P ATOM 34 OP1 G A 2 -9.517 -4.488 -6.622 1.00 0.00 O ATOM 35 OP2 G A 2 -6.982 -4.445 -6.253 1.00 0.00 O ATOM 36 O5' G A 2 -8.469 -5.805 -4.768 1.00 0.00 O ATOM 37 C5' G A 2 -9.727 -6.366 -4.387 1.00 0.00 C ATOM 38 C4' G A 2 -9.704 -6.879 -2.950 1.00 0.00 C ATOM 39 O4' G A 2 -8.701 -7.885 -2.771 1.00 0.00 O ATOM 40 C3' G A 2 -9.342 -5.772 -1.974 1.00 0.00 C ATOM 41 O3' G A 2 -10.545 -5.144 -1.523 1.00 0.00 O ATOM 42 C2' G A 2 -8.734 -6.536 -0.814 1.00 0.00 C ATOM 43 O2' G A 2 -9.739 -7.026 0.081 1.00 0.00 O ATOM 44 C1' G A 2 -8.014 -7.678 -1.525 1.00 0.00 C ATOM 45 N9 G A 2 -6.598 -7.335 -1.745 1.00 0.00 N ATOM 46 C8 G A 2 -5.988 -6.839 -2.849 1.00 0.00 C ATOM 47 N7 G A 2 -4.722 -6.594 -2.774 1.00 0.00 N ATOM 48 C5 G A 2 -4.438 -6.970 -1.458 1.00 0.00 C ATOM 49 C6 G A 2 -3.207 -6.943 -0.749 1.00 0.00 C ATOM 50 O6 G A 2 -2.103 -6.575 -1.148 1.00 0.00 O ATOM 51 N1 G A 2 -3.360 -7.407 0.553 1.00 0.00 N ATOM 52 C2 G A 2 -4.544 -7.844 1.108 1.00 0.00 C ATOM 53 N2 G A 2 -4.485 -8.252 2.376 1.00 0.00 N ATOM 54 N3 G A 2 -5.706 -7.873 0.448 1.00 0.00 N ATOM 55 C4 G A 2 -5.583 -7.425 -0.822 1.00 0.00 C ATOM 0 H5' G A 2 -9.980 -7.184 -5.061 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.508 -5.613 -4.492 1.00 0.00 H new ATOM 0 H4' G A 2 -10.703 -7.271 -2.761 1.00 0.00 H new ATOM 0 H3' G A 2 -8.689 -5.008 -2.396 1.00 0.00 H new ATOM 0 H2' G A 2 -8.081 -5.929 -0.187 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.570 -6.525 -0.054 1.00 0.00 H new ATOM 0 H1' G A 2 -8.026 -8.589 -0.927 1.00 0.00 H new ATOM 0 H8 G A 2 -6.541 -6.655 -3.759 1.00 0.00 H new ATOM 0 H1 G A 2 -2.530 -7.426 1.145 1.00 0.00 H new ATOM 0 H21 G A 2 -5.327 -8.587 2.844 1.00 0.00 H new ATOM 0 H22 G A 2 -3.598 -8.229 2.878 1.00 0.00 H new ATOM 67 P U A 3 -10.609 -3.543 -1.357 1.00 0.00 P ATOM 68 OP1 U A 3 -12.026 -3.151 -1.193 1.00 0.00 O ATOM 69 OP2 U A 3 -9.795 -2.934 -2.433 1.00 0.00 O ATOM 70 O5' U A 3 -9.852 -3.301 0.047 1.00 0.00 O ATOM 71 C5' U A 3 -10.587 -3.295 1.276 1.00 0.00 C ATOM 72 C4' U A 3 -9.666 -3.384 2.492 1.00 0.00 C ATOM 73 O4' U A 3 -8.636 -4.355 2.307 1.00 0.00 O ATOM 74 C3' U A 3 -8.934 -2.078 2.735 1.00 0.00 C ATOM 75 O3' U A 3 -9.742 -1.250 3.575 1.00 0.00 O ATOM 76 C2' U A 3 -7.716 -2.523 3.527 1.00 0.00 C ATOM 77 O2' U A 3 -8.001 -2.601 4.929 1.00 0.00 O ATOM 78 C1' U A 3 -7.423 -3.904 2.940 1.00 0.00 C ATOM 79 N1 U A 3 -6.315 -3.833 1.971 1.00 0.00 N ATOM 80 C2 U A 3 -5.031 -3.797 2.478 1.00 0.00 C ATOM 81 O2 U A 3 -4.803 -3.827 3.686 1.00 0.00 O ATOM 82 N3 U A 3 -4.011 -3.725 1.546 1.00 0.00 N ATOM 83 C4 U A 3 -4.166 -3.686 0.170 1.00 0.00 C ATOM 84 O4 U A 3 -3.186 -3.622 -0.568 1.00 0.00 O ATOM 85 C5 U A 3 -5.543 -3.727 -0.269 1.00 0.00 C ATOM 86 C6 U A 3 -6.556 -3.798 0.627 1.00 0.00 C ATOM 0 H5' U A 3 -11.284 -4.133 1.286 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.183 -2.384 1.338 1.00 0.00 H new ATOM 0 H4' U A 3 -10.320 -3.644 3.324 1.00 0.00 H new ATOM 0 H3' U A 3 -8.698 -1.527 1.825 1.00 0.00 H new ATOM 0 H2' U A 3 -6.876 -1.833 3.451 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.907 -2.269 5.098 1.00 0.00 H new ATOM 0 H1' U A 3 -7.115 -4.601 3.719 1.00 0.00 H new ATOM 0 H3 U A 3 -3.057 -3.698 1.905 1.00 0.00 H new ATOM 0 H5 U A 3 -5.767 -3.701 -1.325 1.00 0.00 H new ATOM 0 H6 U A 3 -7.575 -3.828 0.272 1.00 0.00 H new ATOM 97 P U A 4 -9.606 0.353 3.505 1.00 0.00 P ATOM 98 OP1 U A 4 -10.600 0.944 4.428 1.00 0.00 O ATOM 99 OP2 U A 4 -9.592 0.752 2.081 1.00 0.00 O ATOM 100 O5' U A 4 -8.137 0.607 4.115 1.00 0.00 O ATOM 101 C5' U A 4 -7.925 0.569 5.528 1.00 0.00 C ATOM 102 C4' U A 4 -6.470 0.858 5.889 1.00 0.00 C ATOM 103 O4' U A 4 -5.579 -0.085 5.294 1.00 0.00 O ATOM 104 C3' U A 4 -6.022 2.199 5.345 1.00 0.00 C ATOM 105 O3' U A 4 -6.345 3.214 6.299 1.00 0.00 O ATOM 106 C2' U A 4 -4.513 2.049 5.296 1.00 0.00 C ATOM 107 O2' U A 4 -3.911 2.406 6.546 1.00 0.00 O ATOM 108 C1' U A 4 -4.329 0.561 4.993 1.00 0.00 C ATOM 109 N1 U A 4 -3.949 0.366 3.581 1.00 0.00 N ATOM 110 C2 U A 4 -2.603 0.436 3.272 1.00 0.00 C ATOM 111 O2 U A 4 -1.747 0.637 4.129 1.00 0.00 O ATOM 112 N3 U A 4 -2.276 0.269 1.939 1.00 0.00 N ATOM 113 C4 U A 4 -3.166 0.040 0.903 1.00 0.00 C ATOM 114 O4 U A 4 -2.763 -0.093 -0.251 1.00 0.00 O ATOM 115 C5 U A 4 -4.551 -0.020 1.318 1.00 0.00 C ATOM 116 C6 U A 4 -4.895 0.141 2.618 1.00 0.00 C ATOM 0 H5' U A 4 -8.207 -0.411 5.912 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.572 1.300 6.013 1.00 0.00 H new ATOM 0 H4' U A 4 -6.434 0.820 6.978 1.00 0.00 H new ATOM 0 H3' U A 4 -6.476 2.463 4.390 1.00 0.00 H new ATOM 0 H2' U A 4 -4.040 2.699 4.560 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.566 2.878 7.102 1.00 0.00 H new ATOM 0 H1' U A 4 -3.528 0.132 5.595 1.00 0.00 H new ATOM 0 H3 U A 4 -1.287 0.319 1.696 1.00 0.00 H new ATOM 0 H5 U A 4 -5.321 -0.196 0.581 1.00 0.00 H new ATOM 0 H6 U A 4 -5.936 0.091 2.900 1.00 0.00 H new ATOM 127 P C A 5 -6.454 4.752 5.836 1.00 0.00 P ATOM 128 OP1 C A 5 -6.956 5.543 6.981 1.00 0.00 O ATOM 129 OP2 C A 5 -7.164 4.797 4.539 1.00 0.00 O ATOM 130 O5' C A 5 -4.916 5.156 5.581 1.00 0.00 O ATOM 131 C5' C A 5 -4.127 5.700 6.643 1.00 0.00 C ATOM 132 C4' C A 5 -2.664 5.865 6.239 1.00 0.00 C ATOM 133 O4' C A 5 -2.192 4.755 5.481 1.00 0.00 O ATOM 134 C3' C A 5 -2.468 7.057 5.325 1.00 0.00 C ATOM 135 O3' C A 5 -2.282 8.227 6.123 1.00 0.00 O ATOM 136 C2' C A 5 -1.152 6.731 4.636 1.00 0.00 C ATOM 137 O2' C A 5 -0.036 7.225 5.386 1.00 0.00 O ATOM 138 C1' C A 5 -1.155 5.199 4.588 1.00 0.00 C ATOM 139 N1 C A 5 -1.391 4.721 3.210 1.00 0.00 N ATOM 140 C2 C A 5 -0.292 4.634 2.372 1.00 0.00 C ATOM 141 O2 C A 5 0.826 4.937 2.787 1.00 0.00 O ATOM 142 N3 C A 5 -0.486 4.208 1.095 1.00 0.00 N ATOM 143 C4 C A 5 -1.709 3.881 0.656 1.00 0.00 C ATOM 144 N4 C A 5 -1.862 3.470 -0.602 1.00 0.00 N ATOM 145 C5 C A 5 -2.846 3.970 1.519 1.00 0.00 C ATOM 146 C6 C A 5 -2.644 4.392 2.782 1.00 0.00 C ATOM 0 H5' C A 5 -4.192 5.048 7.514 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.533 6.667 6.938 1.00 0.00 H new ATOM 0 H4' C A 5 -2.126 5.974 7.181 1.00 0.00 H new ATOM 0 H3' C A 5 -3.301 7.232 4.644 1.00 0.00 H new ATOM 0 H2' C A 5 -1.060 7.190 3.651 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.339 7.927 5.999 1.00 0.00 H new ATOM 0 H1' C A 5 -0.190 4.796 4.896 1.00 0.00 H new ATOM 0 H41 C A 5 -2.788 3.218 -0.947 1.00 0.00 H new ATOM 0 H42 C A 5 -1.053 3.407 -1.220 1.00 0.00 H new ATOM 0 H5 C A 5 -3.834 3.708 1.170 1.00 0.00 H new ATOM 0 H6 C A 5 -3.480 4.471 3.461 1.00 0.00 H new ATOM 158 P A A 6 -2.585 9.685 5.509 1.00 0.00 P ATOM 159 OP1 A A 6 -2.235 10.700 6.528 1.00 0.00 O ATOM 160 OP2 A A 6 -3.944 9.667 4.922 1.00 0.00 O ATOM 161 O5' A A 6 -1.518 9.790 4.305 1.00 0.00 O ATOM 162 C5' A A 6 -1.959 10.022 2.962 1.00 0.00 C ATOM 163 C4' A A 6 -0.869 9.689 1.947 1.00 0.00 C ATOM 164 O4' A A 6 -0.775 8.281 1.735 1.00 0.00 O ATOM 165 C3' A A 6 -1.184 10.297 0.588 1.00 0.00 C ATOM 166 O3' A A 6 -0.496 11.549 0.494 1.00 0.00 O ATOM 167 C2' A A 6 -0.550 9.328 -0.400 1.00 0.00 C ATOM 168 O2' A A 6 0.781 9.732 -0.745 1.00 0.00 O ATOM 169 C1' A A 6 -0.549 7.994 0.348 1.00 0.00 C ATOM 170 N9 A A 6 -1.592 7.089 -0.175 1.00 0.00 N ATOM 171 C8 A A 6 -2.687 6.580 0.441 1.00 0.00 C ATOM 172 N7 A A 6 -3.438 5.780 -0.239 1.00 0.00 N ATOM 173 C5 A A 6 -2.770 5.744 -1.466 1.00 0.00 C ATOM 174 C6 A A 6 -3.029 5.075 -2.667 1.00 0.00 C ATOM 175 N6 A A 6 -4.079 4.273 -2.845 1.00 0.00 N ATOM 176 N1 A A 6 -2.164 5.264 -3.679 1.00 0.00 N ATOM 177 C2 A A 6 -1.107 6.064 -3.524 1.00 0.00 C ATOM 178 N3 A A 6 -0.768 6.743 -2.434 1.00 0.00 N ATOM 179 C4 A A 6 -1.647 6.539 -1.435 1.00 0.00 C ATOM 0 H5' A A 6 -2.254 11.065 2.851 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.843 9.417 2.759 1.00 0.00 H new ATOM 0 H4' A A 6 0.059 10.089 2.355 1.00 0.00 H new ATOM 0 H3' A A 6 -2.249 10.453 0.416 1.00 0.00 H new ATOM 0 H2' A A 6 -1.090 9.279 -1.345 1.00 0.00 H new ATOM 0 HO2' A A 6 1.022 10.533 -0.235 1.00 0.00 H new ATOM 0 H1' A A 6 0.406 7.487 0.211 1.00 0.00 H new ATOM 0 H8 A A 6 -2.923 6.835 1.464 1.00 0.00 H new ATOM 0 H61 A A 6 -4.220 3.809 -3.743 1.00 0.00 H new ATOM 0 H62 A A 6 -4.741 4.123 -2.084 1.00 0.00 H new ATOM 0 H2 A A 6 -0.456 6.171 -4.379 1.00 0.00 H new ATOM 191 P G A 7 -1.017 12.706 -0.497 1.00 0.00 P ATOM 192 OP1 G A 7 -0.013 13.794 -0.507 1.00 0.00 O ATOM 193 OP2 G A 7 -2.425 13.009 -0.158 1.00 0.00 O ATOM 194 O5' G A 7 -0.985 11.983 -1.935 1.00 0.00 O ATOM 195 C5' G A 7 0.222 11.944 -2.703 1.00 0.00 C ATOM 196 C4' G A 7 0.002 11.272 -4.053 1.00 0.00 C ATOM 197 O4' G A 7 -0.560 9.966 -3.887 1.00 0.00 O ATOM 198 C3' G A 7 -0.985 12.072 -4.905 1.00 0.00 C ATOM 199 O3' G A 7 -0.462 12.145 -6.232 1.00 0.00 O ATOM 200 C2' G A 7 -2.240 11.212 -4.937 1.00 0.00 C ATOM 201 O2' G A 7 -2.936 11.345 -6.183 1.00 0.00 O ATOM 202 C1' G A 7 -1.676 9.816 -4.760 1.00 0.00 C ATOM 203 N9 G A 7 -2.682 8.898 -4.195 1.00 0.00 N ATOM 204 C8 G A 7 -3.079 7.685 -4.642 1.00 0.00 C ATOM 205 N7 G A 7 -3.993 7.069 -3.973 1.00 0.00 N ATOM 206 C5 G A 7 -4.251 7.974 -2.940 1.00 0.00 C ATOM 207 C6 G A 7 -5.167 7.882 -1.858 1.00 0.00 C ATOM 208 O6 G A 7 -5.944 6.967 -1.592 1.00 0.00 O ATOM 209 N1 G A 7 -5.112 9.008 -1.048 1.00 0.00 N ATOM 210 C2 G A 7 -4.282 10.092 -1.248 1.00 0.00 C ATOM 211 N2 G A 7 -4.378 11.078 -0.359 1.00 0.00 N ATOM 212 N3 G A 7 -3.415 10.187 -2.263 1.00 0.00 N ATOM 213 C4 G A 7 -3.451 9.101 -3.068 1.00 0.00 C ATOM 0 H5' G A 7 0.991 11.406 -2.148 1.00 0.00 H new ATOM 0 H5'' G A 7 0.591 12.958 -2.856 1.00 0.00 H new ATOM 0 H4' G A 7 0.976 11.216 -4.538 1.00 0.00 H new ATOM 0 H3' G A 7 -1.166 13.077 -4.524 1.00 0.00 H new ATOM 0 H2' G A 7 -2.976 11.484 -4.180 1.00 0.00 H new ATOM 0 HO2' G A 7 -2.769 12.235 -6.558 1.00 0.00 H new ATOM 0 H1' G A 7 -1.382 9.378 -5.714 1.00 0.00 H new ATOM 0 H8 G A 7 -2.645 7.247 -5.529 1.00 0.00 H new ATOM 0 H1 G A 7 -5.735 9.036 -0.241 1.00 0.00 H new ATOM 0 H21 G A 7 -3.791 11.907 -0.452 1.00 0.00 H new ATOM 0 H22 G A 7 -5.038 11.004 0.415 1.00 0.00 H new ATOM 225 P A A 8 -0.588 13.502 -7.087 1.00 0.00 P ATOM 226 OP1 A A 8 0.255 14.536 -6.447 1.00 0.00 O ATOM 227 OP2 A A 8 -2.024 13.764 -7.330 1.00 0.00 O ATOM 228 O5' A A 8 0.092 13.088 -8.485 1.00 0.00 O ATOM 229 C5' A A 8 -0.448 12.014 -9.259 1.00 0.00 C ATOM 230 C4' A A 8 0.612 10.955 -9.570 1.00 0.00 C ATOM 231 O4' A A 8 1.932 11.453 -9.301 1.00 0.00 O ATOM 232 C3' A A 8 0.450 9.696 -8.705 1.00 0.00 C ATOM 233 O3' A A 8 0.746 8.563 -9.526 1.00 0.00 O ATOM 234 C2' A A 8 1.558 9.826 -7.677 1.00 0.00 C ATOM 235 O2' A A 8 1.985 8.549 -7.191 1.00 0.00 O ATOM 236 C1' A A 8 2.633 10.502 -8.502 1.00 0.00 C ATOM 237 N9 A A 8 3.655 11.147 -7.659 1.00 0.00 N ATOM 238 C8 A A 8 3.528 11.830 -6.493 1.00 0.00 C ATOM 239 N7 A A 8 4.606 12.305 -5.961 1.00 0.00 N ATOM 240 C5 A A 8 5.578 11.891 -6.879 1.00 0.00 C ATOM 241 C6 A A 8 6.968 12.058 -6.933 1.00 0.00 C ATOM 242 N6 A A 8 7.662 12.717 -6.005 1.00 0.00 N ATOM 243 N1 A A 8 7.616 11.517 -7.982 1.00 0.00 N ATOM 244 C2 A A 8 6.942 10.855 -8.923 1.00 0.00 C ATOM 245 N3 A A 8 5.632 10.639 -8.970 1.00 0.00 N ATOM 246 C4 A A 8 5.006 11.187 -7.911 1.00 0.00 C ATOM 0 H5' A A 8 -0.856 12.406 -10.191 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.275 11.554 -8.717 1.00 0.00 H new ATOM 0 H4' A A 8 0.478 10.713 -10.624 1.00 0.00 H new ATOM 0 H3' A A 8 -0.543 9.588 -8.268 1.00 0.00 H new ATOM 0 H2' A A 8 1.274 10.369 -6.775 1.00 0.00 H new ATOM 0 HO2' A A 8 2.372 8.652 -6.296 1.00 0.00 H new ATOM 0 H1' A A 8 3.186 9.785 -9.109 1.00 0.00 H new ATOM 0 H8 A A 8 2.564 11.971 -6.028 1.00 0.00 H new ATOM 0 H61 A A 8 8.674 12.809 -6.094 1.00 0.00 H new ATOM 0 H62 A A 8 7.181 13.130 -5.206 1.00 0.00 H new ATOM 0 H2 A A 8 7.525 10.450 -9.737 1.00 0.00 H new ATOM 258 P A A 9 0.017 7.152 -9.274 1.00 0.00 P ATOM 259 OP1 A A 9 -0.367 6.588 -10.586 1.00 0.00 O ATOM 260 OP2 A A 9 -1.006 7.341 -8.221 1.00 0.00 O ATOM 261 O5' A A 9 1.208 6.254 -8.668 1.00 0.00 O ATOM 262 C5' A A 9 2.216 5.705 -9.522 1.00 0.00 C ATOM 263 C4' A A 9 3.602 6.286 -9.219 1.00 0.00 C ATOM 264 O4' A A 9 3.479 7.429 -8.368 1.00 0.00 O ATOM 265 C3' A A 9 4.497 5.279 -8.492 1.00 0.00 C ATOM 266 O3' A A 9 5.573 4.936 -9.364 1.00 0.00 O ATOM 267 C2' A A 9 5.119 6.041 -7.326 1.00 0.00 C ATOM 268 O2' A A 9 6.486 6.368 -7.596 1.00 0.00 O ATOM 269 C1' A A 9 4.275 7.296 -7.185 1.00 0.00 C ATOM 270 N9 A A 9 3.437 7.222 -5.974 1.00 0.00 N ATOM 271 C8 A A 9 2.264 6.579 -5.765 1.00 0.00 C ATOM 272 N7 A A 9 1.737 6.668 -4.591 1.00 0.00 N ATOM 273 C5 A A 9 2.664 7.468 -3.924 1.00 0.00 C ATOM 274 C6 A A 9 2.723 7.962 -2.618 1.00 0.00 C ATOM 275 N6 A A 9 1.788 7.714 -1.703 1.00 0.00 N ATOM 276 N1 A A 9 3.781 8.721 -2.292 1.00 0.00 N ATOM 277 C2 A A 9 4.727 8.982 -3.194 1.00 0.00 C ATOM 278 N3 A A 9 4.772 8.567 -4.456 1.00 0.00 N ATOM 279 C4 A A 9 3.702 7.809 -4.759 1.00 0.00 C ATOM 0 H5' A A 9 1.958 5.905 -10.562 1.00 0.00 H new ATOM 0 H5'' A A 9 2.242 4.622 -9.402 1.00 0.00 H new ATOM 0 H4' A A 9 4.048 6.547 -10.179 1.00 0.00 H new ATOM 0 H3' A A 9 3.940 4.395 -8.182 1.00 0.00 H new ATOM 0 H2' A A 9 5.128 5.450 -6.410 1.00 0.00 H new ATOM 0 HO2' A A 9 6.699 6.141 -8.525 1.00 0.00 H new ATOM 0 H1' A A 9 4.912 8.174 -7.076 1.00 0.00 H new ATOM 0 H8 A A 9 1.787 6.013 -6.552 1.00 0.00 H new ATOM 0 H61 A A 9 1.879 8.099 -0.763 1.00 0.00 H new ATOM 0 H62 A A 9 0.980 7.139 -1.942 1.00 0.00 H new ATOM 0 H2 A A 9 5.549 9.600 -2.862 1.00 0.00 H new ATOM 291 P G A 10 6.389 3.568 -9.142 1.00 0.00 P ATOM 292 OP1 G A 10 7.740 3.736 -9.722 1.00 0.00 O ATOM 293 OP2 G A 10 5.533 2.441 -9.578 1.00 0.00 O ATOM 294 O5' G A 10 6.533 3.501 -7.538 1.00 0.00 O ATOM 295 C5' G A 10 7.820 3.600 -6.921 1.00 0.00 C ATOM 296 C4' G A 10 7.719 3.774 -5.407 1.00 0.00 C ATOM 297 O4' G A 10 6.657 4.659 -5.041 1.00 0.00 O ATOM 298 C3' G A 10 7.381 2.470 -4.714 1.00 0.00 C ATOM 299 O3' G A 10 8.588 1.744 -4.469 1.00 0.00 O ATOM 300 C2' G A 10 6.830 2.955 -3.387 1.00 0.00 C ATOM 301 O2' G A 10 7.879 3.231 -2.452 1.00 0.00 O ATOM 302 C1' G A 10 6.088 4.228 -3.788 1.00 0.00 C ATOM 303 N9 G A 10 4.642 3.965 -3.915 1.00 0.00 N ATOM 304 C8 G A 10 3.926 3.569 -4.996 1.00 0.00 C ATOM 305 N7 G A 10 2.658 3.386 -4.839 1.00 0.00 N ATOM 306 C5 G A 10 2.490 3.695 -3.486 1.00 0.00 C ATOM 307 C6 G A 10 1.311 3.686 -2.692 1.00 0.00 C ATOM 308 O6 G A 10 0.166 3.399 -3.031 1.00 0.00 O ATOM 309 N1 G A 10 1.579 4.061 -1.382 1.00 0.00 N ATOM 310 C2 G A 10 2.823 4.404 -0.890 1.00 0.00 C ATOM 311 N2 G A 10 2.875 4.736 0.401 1.00 0.00 N ATOM 312 N3 G A 10 3.936 4.414 -1.631 1.00 0.00 N ATOM 313 C4 G A 10 3.700 4.052 -2.912 1.00 0.00 C ATOM 0 H5' G A 10 8.362 4.444 -7.347 1.00 0.00 H new ATOM 0 H5'' G A 10 8.399 2.704 -7.145 1.00 0.00 H new ATOM 0 H4' G A 10 8.693 4.159 -5.106 1.00 0.00 H new ATOM 0 H3' G A 10 6.707 1.826 -5.278 1.00 0.00 H new ATOM 0 H2' G A 10 6.198 2.223 -2.885 1.00 0.00 H new ATOM 0 HO2' G A 10 7.784 2.646 -1.672 1.00 0.00 H new ATOM 0 H1' G A 10 6.197 5.006 -3.032 1.00 0.00 H new ATOM 0 H8 G A 10 4.400 3.412 -5.954 1.00 0.00 H new ATOM 0 H1 G A 10 0.794 4.085 -0.731 1.00 0.00 H new ATOM 0 H21 G A 10 3.765 4.999 0.824 1.00 0.00 H new ATOM 0 H22 G A 10 2.025 4.727 0.965 1.00 0.00 H new ATOM 325 P A A 11 8.557 0.137 -4.347 1.00 0.00 P ATOM 326 OP1 A A 11 9.952 -0.356 -4.365 1.00 0.00 O ATOM 327 OP2 A A 11 7.579 -0.383 -5.328 1.00 0.00 O ATOM 328 O5' A A 11 7.960 -0.095 -2.868 1.00 0.00 O ATOM 329 C5' A A 11 8.802 0.042 -1.722 1.00 0.00 C ATOM 330 C4' A A 11 8.001 0.305 -0.447 1.00 0.00 C ATOM 331 O4' A A 11 6.902 1.185 -0.678 1.00 0.00 O ATOM 332 C3' A A 11 7.357 -0.959 0.082 1.00 0.00 C ATOM 333 O3' A A 11 8.302 -1.651 0.902 1.00 0.00 O ATOM 334 C2' A A 11 6.257 -0.410 0.975 1.00 0.00 C ATOM 335 O2' A A 11 6.742 -0.136 2.294 1.00 0.00 O ATOM 336 C1' A A 11 5.845 0.874 0.252 1.00 0.00 C ATOM 337 N9 A A 11 4.555 0.683 -0.436 1.00 0.00 N ATOM 338 C8 A A 11 4.292 0.465 -1.748 1.00 0.00 C ATOM 339 N7 A A 11 3.058 0.299 -2.090 1.00 0.00 N ATOM 340 C5 A A 11 2.406 0.422 -0.858 1.00 0.00 C ATOM 341 C6 A A 11 1.058 0.351 -0.488 1.00 0.00 C ATOM 342 N6 A A 11 0.074 0.130 -1.359 1.00 0.00 N ATOM 343 N1 A A 11 0.764 0.516 0.814 1.00 0.00 N ATOM 344 C2 A A 11 1.734 0.739 1.702 1.00 0.00 C ATOM 345 N3 A A 11 3.040 0.826 1.461 1.00 0.00 N ATOM 346 C4 A A 11 3.310 0.656 0.152 1.00 0.00 C ATOM 0 H5' A A 11 9.503 0.860 -1.884 1.00 0.00 H new ATOM 0 H5'' A A 11 9.394 -0.865 -1.597 1.00 0.00 H new ATOM 0 H4' A A 11 8.725 0.726 0.250 1.00 0.00 H new ATOM 0 H3' A A 11 7.010 -1.640 -0.695 1.00 0.00 H new ATOM 0 H2' A A 11 5.431 -1.107 1.120 1.00 0.00 H new ATOM 0 HO2' A A 11 7.551 -0.664 2.461 1.00 0.00 H new ATOM 0 H1' A A 11 5.706 1.698 0.952 1.00 0.00 H new ATOM 0 H8 A A 11 5.085 0.431 -2.480 1.00 0.00 H new ATOM 0 H61 A A 11 -0.893 0.088 -1.036 1.00 0.00 H new ATOM 0 H62 A A 11 0.288 0.003 -2.348 1.00 0.00 H new ATOM 0 H2 A A 11 1.426 0.863 2.730 1.00 0.00 H new ATOM 358 P A A 12 8.190 -3.246 1.097 1.00 0.00 P ATOM 359 OP1 A A 12 9.443 -3.723 1.722 1.00 0.00 O ATOM 360 OP2 A A 12 7.730 -3.838 -0.179 1.00 0.00 O ATOM 361 O5' A A 12 7.003 -3.389 2.177 1.00 0.00 O ATOM 362 C5' A A 12 7.298 -3.402 3.575 1.00 0.00 C ATOM 363 C4' A A 12 6.032 -3.481 4.424 1.00 0.00 C ATOM 364 O4' A A 12 5.042 -2.551 3.985 1.00 0.00 O ATOM 365 C3' A A 12 5.369 -4.841 4.307 1.00 0.00 C ATOM 366 O3' A A 12 5.927 -5.709 5.297 1.00 0.00 O ATOM 367 C2' A A 12 3.931 -4.539 4.686 1.00 0.00 C ATOM 368 O2' A A 12 3.743 -4.574 6.106 1.00 0.00 O ATOM 369 C1' A A 12 3.732 -3.130 4.131 1.00 0.00 C ATOM 370 N9 A A 12 3.023 -3.177 2.837 1.00 0.00 N ATOM 371 C8 A A 12 3.518 -3.152 1.575 1.00 0.00 C ATOM 372 N7 A A 12 2.671 -3.209 0.602 1.00 0.00 N ATOM 373 C5 A A 12 1.456 -3.282 1.291 1.00 0.00 C ATOM 374 C6 A A 12 0.126 -3.368 0.862 1.00 0.00 C ATOM 375 N6 A A 12 -0.226 -3.395 -0.423 1.00 0.00 N ATOM 376 N1 A A 12 -0.827 -3.425 1.810 1.00 0.00 N ATOM 377 C2 A A 12 -0.497 -3.399 3.102 1.00 0.00 C ATOM 378 N3 A A 12 0.726 -3.320 3.617 1.00 0.00 N ATOM 379 C4 A A 12 1.663 -3.264 2.650 1.00 0.00 C ATOM 0 H5' A A 12 7.855 -2.502 3.837 1.00 0.00 H new ATOM 0 H5'' A A 12 7.941 -4.252 3.802 1.00 0.00 H new ATOM 0 H4' A A 12 6.358 -3.272 5.443 1.00 0.00 H new ATOM 0 H3' A A 12 5.485 -5.309 3.330 1.00 0.00 H new ATOM 0 H2' A A 12 3.219 -5.265 4.294 1.00 0.00 H new ATOM 0 HO2' A A 12 4.438 -5.131 6.514 1.00 0.00 H new ATOM 0 H1' A A 12 3.120 -2.527 4.802 1.00 0.00 H new ATOM 0 H8 A A 12 4.580 -3.087 1.391 1.00 0.00 H new ATOM 0 H61 A A 12 -1.211 -3.458 -0.681 1.00 0.00 H new ATOM 0 H62 A A 12 0.489 -3.352 -1.149 1.00 0.00 H new ATOM 0 H2 A A 12 -1.313 -3.447 3.808 1.00 0.00 H new ATOM 391 P C A 13 6.001 -7.296 5.037 1.00 0.00 P ATOM 392 OP1 C A 13 6.735 -7.915 6.163 1.00 0.00 O ATOM 393 OP2 C A 13 6.459 -7.517 3.648 1.00 0.00 O ATOM 394 O5' C A 13 4.456 -7.742 5.135 1.00 0.00 O ATOM 395 C5' C A 13 3.894 -8.135 6.390 1.00 0.00 C ATOM 396 C4' C A 13 2.439 -8.576 6.246 1.00 0.00 C ATOM 397 O4' C A 13 1.634 -7.550 5.664 1.00 0.00 O ATOM 398 C3' C A 13 2.309 -9.762 5.309 1.00 0.00 C ATOM 399 O3' C A 13 2.419 -10.965 6.075 1.00 0.00 O ATOM 400 C2' C A 13 0.881 -9.644 4.806 1.00 0.00 C ATOM 401 O2' C A 13 -0.040 -10.312 5.677 1.00 0.00 O ATOM 402 C1' C A 13 0.647 -8.134 4.797 1.00 0.00 C ATOM 403 N1 C A 13 0.759 -7.598 3.427 1.00 0.00 N ATOM 404 C2 C A 13 -0.404 -7.519 2.678 1.00 0.00 C ATOM 405 O2 C A 13 -1.474 -7.879 3.162 1.00 0.00 O ATOM 406 N3 C A 13 -0.320 -7.038 1.408 1.00 0.00 N ATOM 407 C4 C A 13 0.853 -6.650 0.894 1.00 0.00 C ATOM 408 N4 C A 13 0.897 -6.184 -0.354 1.00 0.00 N ATOM 409 C5 C A 13 2.057 -6.729 1.665 1.00 0.00 C ATOM 410 C6 C A 13 1.964 -7.207 2.920 1.00 0.00 C ATOM 0 H5' C A 13 3.954 -7.303 7.092 1.00 0.00 H new ATOM 0 H5'' C A 13 4.481 -8.951 6.812 1.00 0.00 H new ATOM 0 H4' C A 13 2.110 -8.821 7.256 1.00 0.00 H new ATOM 0 H3' C A 13 3.058 -9.780 4.517 1.00 0.00 H new ATOM 0 H2' C A 13 0.730 -10.108 3.831 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.464 -11.054 5.198 1.00 0.00 H new ATOM 0 H1' C A 13 -0.357 -7.894 5.147 1.00 0.00 H new ATOM 0 H41 C A 13 1.786 -5.885 -0.756 1.00 0.00 H new ATOM 0 H42 C A 13 0.042 -6.126 -0.907 1.00 0.00 H new ATOM 0 H5 C A 13 3.006 -6.416 1.254 1.00 0.00 H new ATOM 0 H6 C A 13 2.851 -7.282 3.531 1.00 0.00 H new ATOM 422 P C A 14 2.883 -12.338 5.373 1.00 0.00 P ATOM 423 OP1 C A 14 3.147 -13.335 6.435 1.00 0.00 O ATOM 424 OP2 C A 14 3.933 -12.019 4.381 1.00 0.00 O ATOM 425 O5' C A 14 1.557 -12.790 4.576 1.00 0.00 O ATOM 426 C5' C A 14 0.575 -13.608 5.215 1.00 0.00 C ATOM 427 C4' C A 14 -0.710 -13.693 4.396 1.00 0.00 C ATOM 428 O4' C A 14 -1.046 -12.434 3.818 1.00 0.00 O ATOM 429 C3' C A 14 -0.552 -14.642 3.224 1.00 0.00 C ATOM 430 O3' C A 14 -0.787 -16.001 3.610 1.00 0.00 O ATOM 431 C2' C A 14 -1.619 -14.143 2.263 1.00 0.00 C ATOM 432 O2' C A 14 -2.885 -14.759 2.522 1.00 0.00 O ATOM 433 C1' C A 14 -1.664 -12.640 2.539 1.00 0.00 C ATOM 434 N1 C A 14 -0.958 -11.893 1.482 1.00 0.00 N ATOM 435 C2 C A 14 -1.679 -11.567 0.347 1.00 0.00 C ATOM 436 O2 C A 14 -2.859 -11.896 0.250 1.00 0.00 O ATOM 437 N3 C A 14 -1.046 -10.881 -0.643 1.00 0.00 N ATOM 438 C4 C A 14 0.240 -10.530 -0.524 1.00 0.00 C ATOM 439 N4 C A 14 0.828 -9.859 -1.515 1.00 0.00 N ATOM 440 C5 C A 14 0.989 -10.866 0.647 1.00 0.00 C ATOM 441 C6 C A 14 0.354 -11.544 1.622 1.00 0.00 C ATOM 0 H5' C A 14 0.351 -13.203 6.202 1.00 0.00 H new ATOM 0 H5'' C A 14 0.978 -14.610 5.365 1.00 0.00 H new ATOM 0 H4' C A 14 -1.479 -14.032 5.090 1.00 0.00 H new ATOM 0 H3' C A 14 0.452 -14.647 2.799 1.00 0.00 H new ATOM 0 H2' C A 14 -1.397 -14.378 1.222 1.00 0.00 H new ATOM 0 HO2' C A 14 -2.752 -15.568 3.059 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.679 -16.586 2.831 1.00 0.00 H new ATOM 0 H1' C A 14 -2.691 -12.276 2.546 1.00 0.00 H new ATOM 0 H41 C A 14 1.808 -9.586 -1.435 1.00 0.00 H new ATOM 0 H42 C A 14 0.298 -9.619 -2.353 1.00 0.00 H new ATOM 0 H5 C A 14 2.027 -10.586 0.746 1.00 0.00 H new ATOM 0 H6 C A 14 0.887 -11.814 2.522 1.00 0.00 H new TER 454 C A 14