USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 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 180:sc= -0.711 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00774 USER MOD Single : A 2 G O2' : rot -77:sc= 0.249 USER MOD Single : A 3 A O2' : rot -15:sc= -0.72 USER MOD Single : A 4 G O2' : rot -17:sc= -0.533 USER MOD Single : A 5 U O2' : rot -12:sc= 0.128 USER MOD Single : A 6 U O2' : rot -13:sc= -0.474 USER MOD Single : A 7 C O2' : rot -7:sc= -0.436 USER MOD Single : A 8 C O2' : rot -29:sc= 0.221 USER MOD Single : A 8 C O3' : rot 180:sc= 0.219 USER MOD Single : B 9 G O2' : rot 180:sc= -0.497 USER MOD Single : B 9 G O5' : rot 180:sc= -0.014 USER MOD Single : B 10 G O2' : rot 180:sc= -0.521 USER MOD Single : B 11 A O2' : rot -12:sc= -0.92 USER MOD Single : B 12 G O2' : rot -24:sc= -0.534 USER MOD Single : B 13 U O2' : rot -8:sc= 0.106 USER MOD Single : B 14 U O2' : rot -14:sc= -0.535 USER MOD Single : B 15 C O2' : rot -7:sc= -0.403 USER MOD Single : B 16 C O2' : rot -18:sc= 0.177 USER MOD Single : B 16 C O3' : rot 180:sc= 0.226 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.116 -7.999 2.973 1.00 0.00 O ATOM 2 C5' G A 1 6.455 -8.301 2.640 1.00 0.00 C ATOM 3 C4' G A 1 7.224 -7.018 2.310 1.00 0.00 C ATOM 4 O4' G A 1 6.666 -6.352 1.179 1.00 0.00 O ATOM 5 C3' G A 1 7.181 -5.996 3.431 1.00 0.00 C ATOM 6 O3' G A 1 8.073 -6.299 4.483 1.00 0.00 O ATOM 7 C2' G A 1 7.600 -4.762 2.677 1.00 0.00 C ATOM 8 O2' G A 1 8.990 -4.795 2.428 1.00 0.00 O ATOM 9 C1' G A 1 6.872 -4.940 1.355 1.00 0.00 C ATOM 10 N9 G A 1 5.575 -4.238 1.393 1.00 0.00 N ATOM 11 C8 G A 1 4.317 -4.745 1.594 1.00 0.00 C ATOM 12 N7 G A 1 3.371 -3.849 1.545 1.00 0.00 N ATOM 13 C5 G A 1 4.051 -2.660 1.295 1.00 0.00 C ATOM 14 C6 G A 1 3.552 -1.334 1.132 1.00 0.00 C ATOM 15 O6 G A 1 2.387 -0.947 1.178 1.00 0.00 O ATOM 16 N1 G A 1 4.579 -0.426 0.893 1.00 0.00 N ATOM 17 C2 G A 1 5.917 -0.748 0.822 1.00 0.00 C ATOM 18 N2 G A 1 6.767 0.259 0.598 1.00 0.00 N ATOM 19 N3 G A 1 6.387 -1.989 0.968 1.00 0.00 N ATOM 20 C4 G A 1 5.401 -2.891 1.203 1.00 0.00 C ATOM 0 H5' G A 1 6.481 -8.978 1.786 1.00 0.00 H new ATOM 0 H5'' G A 1 6.936 -8.818 3.471 1.00 0.00 H new ATOM 0 H4' G A 1 8.246 -7.354 2.131 1.00 0.00 H new ATOM 0 H3' G A 1 6.219 -5.926 3.938 1.00 0.00 H new ATOM 0 H2' G A 1 7.381 -3.834 3.204 1.00 0.00 H new ATOM 0 HO2' G A 1 9.253 -3.989 1.936 1.00 0.00 H new ATOM 0 HO5' G A 1 4.635 -8.828 3.180 1.00 0.00 H new ATOM 0 H1' G A 1 7.451 -4.525 0.530 1.00 0.00 H new ATOM 0 H8 G A 1 4.127 -5.792 1.776 1.00 0.00 H new ATOM 0 H1 G A 1 4.322 0.552 0.760 1.00 0.00 H new ATOM 0 H21 G A 1 7.769 0.077 0.536 1.00 0.00 H new ATOM 0 H22 G A 1 6.414 1.210 0.489 1.00 0.00 H new ATOM 33 P G A 2 8.013 -5.480 5.873 1.00 0.00 P ATOM 34 OP1 G A 2 9.047 -6.031 6.775 1.00 0.00 O ATOM 35 OP2 G A 2 6.600 -5.444 6.313 1.00 0.00 O ATOM 36 O5' G A 2 8.448 -3.977 5.469 1.00 0.00 O ATOM 37 C5' G A 2 9.798 -3.656 5.202 1.00 0.00 C ATOM 38 C4' G A 2 9.945 -2.144 4.995 1.00 0.00 C ATOM 39 O4' G A 2 9.208 -1.658 3.877 1.00 0.00 O ATOM 40 C3' G A 2 9.451 -1.361 6.189 1.00 0.00 C ATOM 41 O3' G A 2 10.403 -1.348 7.233 1.00 0.00 O ATOM 42 C2' G A 2 9.252 0.001 5.588 1.00 0.00 C ATOM 43 O2' G A 2 10.500 0.650 5.447 1.00 0.00 O ATOM 44 C1' G A 2 8.718 -0.344 4.207 1.00 0.00 C ATOM 45 N9 G A 2 7.248 -0.377 4.180 1.00 0.00 N ATOM 46 C8 G A 2 6.428 -1.467 4.233 1.00 0.00 C ATOM 47 N7 G A 2 5.161 -1.186 4.091 1.00 0.00 N ATOM 48 C5 G A 2 5.144 0.197 3.914 1.00 0.00 C ATOM 49 C6 G A 2 4.048 1.081 3.672 1.00 0.00 C ATOM 50 O6 G A 2 2.850 0.812 3.600 1.00 0.00 O ATOM 51 N1 G A 2 4.476 2.392 3.499 1.00 0.00 N ATOM 52 C2 G A 2 5.788 2.810 3.555 1.00 0.00 C ATOM 53 N2 G A 2 6.013 4.115 3.369 1.00 0.00 N ATOM 54 N3 G A 2 6.818 1.986 3.783 1.00 0.00 N ATOM 55 C4 G A 2 6.423 0.698 3.952 1.00 0.00 C ATOM 0 H5' G A 2 10.138 -4.188 4.314 1.00 0.00 H new ATOM 0 H5'' G A 2 10.429 -3.981 6.029 1.00 0.00 H new ATOM 0 H4' G A 2 11.014 -2.000 4.835 1.00 0.00 H new ATOM 0 H3' G A 2 8.555 -1.771 6.655 1.00 0.00 H new ATOM 0 H2' G A 2 8.609 0.655 6.177 1.00 0.00 H new ATOM 0 HO2' G A 2 10.798 0.980 6.320 1.00 0.00 H new ATOM 0 H1' G A 2 9.049 0.415 3.498 1.00 0.00 H new ATOM 0 H8 G A 2 6.795 -2.472 4.379 1.00 0.00 H new ATOM 0 H1 G A 2 3.764 3.099 3.317 1.00 0.00 H new ATOM 0 H21 G A 2 6.966 4.478 3.400 1.00 0.00 H new ATOM 0 H22 G A 2 5.232 4.748 3.196 1.00 0.00 H new ATOM 67 P A A 3 10.058 -0.671 8.645 1.00 0.00 P ATOM 68 OP1 A A 3 11.223 -0.840 9.542 1.00 0.00 O ATOM 69 OP2 A A 3 8.724 -1.152 9.070 1.00 0.00 O ATOM 70 O5' A A 3 9.937 0.886 8.264 1.00 0.00 O ATOM 71 C5' A A 3 9.060 1.721 8.975 1.00 0.00 C ATOM 72 C4' A A 3 9.084 3.141 8.406 1.00 0.00 C ATOM 73 O4' A A 3 8.655 3.190 7.042 1.00 0.00 O ATOM 74 C3' A A 3 8.125 3.995 9.206 1.00 0.00 C ATOM 75 O3' A A 3 8.785 4.618 10.290 1.00 0.00 O ATOM 76 C2' A A 3 7.641 5.000 8.193 1.00 0.00 C ATOM 77 O2' A A 3 8.613 6.009 8.019 1.00 0.00 O ATOM 78 C1' A A 3 7.603 4.155 6.919 1.00 0.00 C ATOM 79 N9 A A 3 6.331 3.429 6.799 1.00 0.00 N ATOM 80 C8 A A 3 6.122 2.080 6.870 1.00 0.00 C ATOM 81 N7 A A 3 4.881 1.724 6.691 1.00 0.00 N ATOM 82 C5 A A 3 4.225 2.929 6.453 1.00 0.00 C ATOM 83 C6 A A 3 2.888 3.240 6.151 1.00 0.00 C ATOM 84 N6 A A 3 1.923 2.318 6.074 1.00 0.00 N ATOM 85 N1 A A 3 2.585 4.530 5.910 1.00 0.00 N ATOM 86 C2 A A 3 3.550 5.444 5.976 1.00 0.00 C ATOM 87 N3 A A 3 4.836 5.280 6.261 1.00 0.00 N ATOM 88 C4 A A 3 5.108 3.973 6.493 1.00 0.00 C ATOM 0 H5' A A 3 9.342 1.741 10.028 1.00 0.00 H new ATOM 0 H5'' A A 3 8.047 1.321 8.924 1.00 0.00 H new ATOM 0 H4' A A 3 10.112 3.498 8.463 1.00 0.00 H new ATOM 0 H3' A A 3 7.312 3.428 9.659 1.00 0.00 H new ATOM 0 H2' A A 3 6.701 5.482 8.464 1.00 0.00 H new ATOM 0 HO2' A A 3 9.265 5.964 8.749 1.00 0.00 H new ATOM 0 H1' A A 3 7.714 4.797 6.045 1.00 0.00 H new ATOM 0 H8 A A 3 6.915 1.372 7.058 1.00 0.00 H new ATOM 0 H61 A A 3 0.968 2.597 5.851 1.00 0.00 H new ATOM 0 H62 A A 3 2.142 1.335 6.238 1.00 0.00 H new ATOM 0 H2 A A 3 3.245 6.459 5.769 1.00 0.00 H new ATOM 100 P G A 4 7.965 5.130 11.571 1.00 0.00 P ATOM 101 OP1 G A 4 8.878 5.935 12.413 1.00 0.00 O ATOM 102 OP2 G A 4 7.264 3.965 12.154 1.00 0.00 O ATOM 103 O5' G A 4 6.861 6.110 10.944 1.00 0.00 O ATOM 104 C5' G A 4 7.189 7.411 10.500 1.00 0.00 C ATOM 105 C4' G A 4 5.915 8.090 10.059 1.00 0.00 C ATOM 106 O4' G A 4 5.345 7.422 8.947 1.00 0.00 O ATOM 107 C3' G A 4 4.872 8.025 11.122 1.00 0.00 C ATOM 108 O3' G A 4 5.116 8.950 12.166 1.00 0.00 O ATOM 109 C2' G A 4 3.674 8.398 10.297 1.00 0.00 C ATOM 110 O2' G A 4 3.697 9.781 9.994 1.00 0.00 O ATOM 111 C1' G A 4 3.938 7.616 9.022 1.00 0.00 C ATOM 112 N9 G A 4 3.233 6.317 9.045 1.00 0.00 N ATOM 113 C8 G A 4 3.741 5.056 9.230 1.00 0.00 C ATOM 114 N7 G A 4 2.849 4.107 9.141 1.00 0.00 N ATOM 115 C5 G A 4 1.661 4.787 8.885 1.00 0.00 C ATOM 116 C6 G A 4 0.335 4.290 8.691 1.00 0.00 C ATOM 117 O6 G A 4 -0.060 3.124 8.690 1.00 0.00 O ATOM 118 N1 G A 4 -0.567 5.322 8.488 1.00 0.00 N ATOM 119 C2 G A 4 -0.252 6.661 8.453 1.00 0.00 C ATOM 120 N2 G A 4 -1.264 7.508 8.241 1.00 0.00 N ATOM 121 N3 G A 4 0.986 7.131 8.618 1.00 0.00 N ATOM 122 C4 G A 4 1.889 6.142 8.833 1.00 0.00 C ATOM 0 H5' G A 4 7.900 7.364 9.676 1.00 0.00 H new ATOM 0 H5'' G A 4 7.665 7.978 11.300 1.00 0.00 H new ATOM 0 H4' G A 4 6.190 9.118 9.824 1.00 0.00 H new ATOM 0 H3' G A 4 4.797 7.074 11.650 1.00 0.00 H new ATOM 0 H2' G A 4 2.721 8.192 10.783 1.00 0.00 H new ATOM 0 HO2' G A 4 4.314 10.239 10.603 1.00 0.00 H new ATOM 0 H1' G A 4 3.571 8.159 8.151 1.00 0.00 H new ATOM 0 H8 G A 4 4.785 4.866 9.431 1.00 0.00 H new ATOM 0 H1 G A 4 -1.546 5.068 8.353 1.00 0.00 H new ATOM 0 H21 G A 4 -1.089 8.512 8.205 1.00 0.00 H new ATOM 0 H22 G A 4 -2.211 7.150 8.115 1.00 0.00 H new ATOM 134 P U A 5 4.387 8.803 13.595 1.00 0.00 P ATOM 135 OP1 U A 5 4.665 10.023 14.384 1.00 0.00 O ATOM 136 OP2 U A 5 4.735 7.476 14.148 1.00 0.00 O ATOM 137 O5' U A 5 2.824 8.789 13.225 1.00 0.00 O ATOM 138 C5' U A 5 2.149 9.961 12.823 1.00 0.00 C ATOM 139 C4' U A 5 0.692 9.605 12.517 1.00 0.00 C ATOM 140 O4' U A 5 0.593 8.647 11.467 1.00 0.00 O ATOM 141 C3' U A 5 0.023 8.976 13.727 1.00 0.00 C ATOM 142 O3' U A 5 -0.478 9.949 14.634 1.00 0.00 O ATOM 143 C2' U A 5 -1.075 8.183 13.096 1.00 0.00 C ATOM 144 O2' U A 5 -2.185 9.018 12.838 1.00 0.00 O ATOM 145 C1' U A 5 -0.472 7.740 11.779 1.00 0.00 C ATOM 146 N1 U A 5 0.043 6.353 11.852 1.00 0.00 N ATOM 147 C2 U A 5 -0.863 5.324 11.640 1.00 0.00 C ATOM 148 O2 U A 5 -2.054 5.539 11.435 1.00 0.00 O ATOM 149 N3 U A 5 -0.349 4.036 11.667 1.00 0.00 N ATOM 150 C4 U A 5 0.988 3.702 11.843 1.00 0.00 C ATOM 151 O4 U A 5 1.344 2.527 11.856 1.00 0.00 O ATOM 152 C5 U A 5 1.866 4.849 11.991 1.00 0.00 C ATOM 153 C6 U A 5 1.377 6.100 11.995 1.00 0.00 C ATOM 0 H5' U A 5 2.627 10.389 11.942 1.00 0.00 H new ATOM 0 H5'' U A 5 2.197 10.714 13.610 1.00 0.00 H new ATOM 0 H4' U A 5 0.208 10.540 12.233 1.00 0.00 H new ATOM 0 H3' U A 5 0.702 8.380 14.337 1.00 0.00 H new ATOM 0 H2' U A 5 -1.420 7.360 13.721 1.00 0.00 H new ATOM 0 HO2' U A 5 -2.061 9.877 13.293 1.00 0.00 H new ATOM 0 H1' U A 5 -1.238 7.752 11.004 1.00 0.00 H new ATOM 0 H3 U A 5 -1.009 3.268 11.547 1.00 0.00 H new ATOM 0 H5 U A 5 2.929 4.694 12.100 1.00 0.00 H new ATOM 0 H6 U A 5 2.058 6.929 12.115 1.00 0.00 H new ATOM 164 P U A 6 -1.048 9.521 16.091 1.00 0.00 P ATOM 165 OP1 U A 6 -1.227 10.754 16.889 1.00 0.00 O ATOM 166 OP2 U A 6 -0.187 8.435 16.609 1.00 0.00 O ATOM 167 O5' U A 6 -2.518 8.896 15.805 1.00 0.00 O ATOM 168 C5' U A 6 -3.654 9.731 15.627 1.00 0.00 C ATOM 169 C4' U A 6 -4.931 8.870 15.552 1.00 0.00 C ATOM 170 O4' U A 6 -4.941 8.042 14.396 1.00 0.00 O ATOM 171 C3' U A 6 -5.062 7.926 16.736 1.00 0.00 C ATOM 172 O3' U A 6 -5.580 8.553 17.893 1.00 0.00 O ATOM 173 C2' U A 6 -6.041 6.934 16.175 1.00 0.00 C ATOM 174 O2' U A 6 -7.342 7.485 16.173 1.00 0.00 O ATOM 175 C1' U A 6 -5.575 6.802 14.744 1.00 0.00 C ATOM 176 N1 U A 6 -4.606 5.695 14.607 1.00 0.00 N ATOM 177 C2 U A 6 -5.094 4.403 14.490 1.00 0.00 C ATOM 178 O2 U A 6 -6.292 4.142 14.568 1.00 0.00 O ATOM 179 N3 U A 6 -4.146 3.415 14.271 1.00 0.00 N ATOM 180 C4 U A 6 -2.779 3.610 14.148 1.00 0.00 C ATOM 181 O4 U A 6 -2.025 2.660 13.953 1.00 0.00 O ATOM 182 C5 U A 6 -2.371 4.990 14.268 1.00 0.00 C ATOM 183 C6 U A 6 -3.281 5.960 14.495 1.00 0.00 C ATOM 0 H5' U A 6 -3.546 10.317 14.714 1.00 0.00 H new ATOM 0 H5'' U A 6 -3.730 10.438 16.453 1.00 0.00 H new ATOM 0 H4' U A 6 -5.750 9.589 15.536 1.00 0.00 H new ATOM 0 H3' U A 6 -4.112 7.514 17.077 1.00 0.00 H new ATOM 0 H2' U A 6 -6.079 5.999 16.734 1.00 0.00 H new ATOM 0 HO2' U A 6 -7.356 8.293 16.727 1.00 0.00 H new ATOM 0 H1' U A 6 -6.419 6.586 14.089 1.00 0.00 H new ATOM 0 H3 U A 6 -4.486 2.456 14.193 1.00 0.00 H new ATOM 0 H5 U A 6 -1.326 5.248 14.175 1.00 0.00 H new ATOM 0 H6 U A 6 -2.943 6.981 14.591 1.00 0.00 H new ATOM 194 P C A 7 -5.537 7.803 19.326 1.00 0.00 P ATOM 195 OP1 C A 7 -6.241 8.655 20.311 1.00 0.00 O ATOM 196 OP2 C A 7 -4.138 7.396 19.579 1.00 0.00 O ATOM 197 O5' C A 7 -6.413 6.459 19.107 1.00 0.00 O ATOM 198 C5' C A 7 -7.828 6.493 19.113 1.00 0.00 C ATOM 199 C4' C A 7 -8.382 5.067 18.974 1.00 0.00 C ATOM 200 O4' C A 7 -7.992 4.447 17.742 1.00 0.00 O ATOM 201 C3' C A 7 -7.862 4.150 20.062 1.00 0.00 C ATOM 202 O3' C A 7 -8.536 4.333 21.293 1.00 0.00 O ATOM 203 C2' C A 7 -8.171 2.808 19.446 1.00 0.00 C ATOM 204 O2' C A 7 -9.553 2.538 19.559 1.00 0.00 O ATOM 205 C1' C A 7 -7.848 3.030 17.981 1.00 0.00 C ATOM 206 N1 C A 7 -6.464 2.585 17.664 1.00 0.00 N ATOM 207 C2 C A 7 -6.268 1.235 17.383 1.00 0.00 C ATOM 208 O2 C A 7 -7.206 0.443 17.448 1.00 0.00 O ATOM 209 N3 C A 7 -5.016 0.823 17.036 1.00 0.00 N ATOM 210 C4 C A 7 -3.999 1.695 16.966 1.00 0.00 C ATOM 211 N4 C A 7 -2.789 1.249 16.612 1.00 0.00 N ATOM 212 C5 C A 7 -4.190 3.087 17.248 1.00 0.00 C ATOM 213 C6 C A 7 -5.435 3.478 17.587 1.00 0.00 C ATOM 0 H5' C A 7 -8.190 7.115 18.294 1.00 0.00 H new ATOM 0 H5'' C A 7 -8.186 6.944 20.038 1.00 0.00 H new ATOM 0 H4' C A 7 -9.464 5.188 19.030 1.00 0.00 H new ATOM 0 H3' C A 7 -6.816 4.308 20.324 1.00 0.00 H new ATOM 0 H2' C A 7 -7.626 1.986 19.911 1.00 0.00 H new ATOM 0 HO2' C A 7 -9.978 3.230 20.108 1.00 0.00 H new ATOM 0 H1' C A 7 -8.517 2.450 17.345 1.00 0.00 H new ATOM 0 H41 C A 7 -2.004 1.897 16.553 1.00 0.00 H new ATOM 0 H42 C A 7 -2.652 0.261 16.401 1.00 0.00 H new ATOM 0 H5 C A 7 -3.373 3.791 17.192 1.00 0.00 H new ATOM 0 H6 C A 7 -5.622 4.520 17.802 1.00 0.00 H new ATOM 225 P C A 8 -7.978 3.656 22.649 1.00 0.00 P ATOM 226 OP1 C A 8 -8.924 3.964 23.744 1.00 0.00 O ATOM 227 OP2 C A 8 -6.552 4.025 22.787 1.00 0.00 O ATOM 228 O5' C A 8 -8.054 2.076 22.350 1.00 0.00 O ATOM 229 C5' C A 8 -9.281 1.377 22.409 1.00 0.00 C ATOM 230 C4' C A 8 -9.041 -0.086 22.028 1.00 0.00 C ATOM 231 O4' C A 8 -8.501 -0.203 20.715 1.00 0.00 O ATOM 232 C3' C A 8 -8.015 -0.739 22.927 1.00 0.00 C ATOM 233 O3' C A 8 -8.557 -1.127 24.170 1.00 0.00 O ATOM 234 C2' C A 8 -7.636 -1.938 22.097 1.00 0.00 C ATOM 235 O2' C A 8 -8.594 -2.961 22.278 1.00 0.00 O ATOM 236 C1' C A 8 -7.722 -1.408 20.666 1.00 0.00 C ATOM 237 N1 C A 8 -6.346 -1.126 20.187 1.00 0.00 N ATOM 238 C2 C A 8 -5.619 -2.179 19.644 1.00 0.00 C ATOM 239 O2 C A 8 -6.137 -3.286 19.509 1.00 0.00 O ATOM 240 N3 C A 8 -4.326 -1.949 19.278 1.00 0.00 N ATOM 241 C4 C A 8 -3.768 -0.741 19.443 1.00 0.00 C ATOM 242 N4 C A 8 -2.499 -0.556 19.067 1.00 0.00 N ATOM 243 C5 C A 8 -4.502 0.346 20.018 1.00 0.00 C ATOM 244 C6 C A 8 -5.782 0.100 20.370 1.00 0.00 C ATOM 0 H5' C A 8 -10.004 1.829 21.730 1.00 0.00 H new ATOM 0 H5'' C A 8 -9.702 1.440 23.412 1.00 0.00 H new ATOM 0 H4' C A 8 -10.017 -0.565 22.113 1.00 0.00 H new ATOM 0 H3' C A 8 -7.186 -0.085 23.197 1.00 0.00 H new ATOM 0 H2' C A 8 -6.660 -2.352 22.352 1.00 0.00 H new ATOM 0 HO2' C A 8 -8.991 -2.883 23.171 1.00 0.00 H new ATOM 0 HO3' C A 8 -7.858 -1.545 24.715 1.00 0.00 H new ATOM 0 H1' C A 8 -8.184 -2.124 19.987 1.00 0.00 H new ATOM 0 H41 C A 8 -2.060 0.357 19.186 1.00 0.00 H new ATOM 0 H42 C A 8 -1.970 -1.328 18.661 1.00 0.00 H new ATOM 0 H5 C A 8 -4.053 1.317 20.163 1.00 0.00 H new ATOM 0 H6 C A 8 -6.372 0.893 20.806 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.370 -8.834 16.288 1.00 0.00 O ATOM 259 C5' G B 9 2.787 -10.108 16.453 1.00 0.00 C ATOM 260 C4' G B 9 1.297 -9.963 16.770 1.00 0.00 C ATOM 261 O4' G B 9 1.089 -9.251 17.990 1.00 0.00 O ATOM 262 C3' G B 9 0.549 -9.167 15.720 1.00 0.00 C ATOM 263 O3' G B 9 0.277 -9.913 14.550 1.00 0.00 O ATOM 264 C2' G B 9 -0.705 -8.848 16.490 1.00 0.00 C ATOM 265 O2' G B 9 -1.514 -10.000 16.587 1.00 0.00 O ATOM 266 C1' G B 9 -0.149 -8.531 17.869 1.00 0.00 C ATOM 267 N9 G B 9 0.093 -7.079 17.986 1.00 0.00 N ATOM 268 C8 G B 9 1.266 -6.380 17.851 1.00 0.00 C ATOM 269 N7 G B 9 1.137 -5.093 18.019 1.00 0.00 N ATOM 270 C5 G B 9 -0.219 -4.924 18.282 1.00 0.00 C ATOM 271 C6 G B 9 -0.960 -3.735 18.549 1.00 0.00 C ATOM 272 O6 G B 9 -0.550 -2.578 18.603 1.00 0.00 O ATOM 273 N1 G B 9 -2.306 -4.008 18.765 1.00 0.00 N ATOM 274 C2 G B 9 -2.875 -5.263 18.725 1.00 0.00 C ATOM 275 N2 G B 9 -4.191 -5.335 18.947 1.00 0.00 N ATOM 276 N3 G B 9 -2.184 -6.380 18.476 1.00 0.00 N ATOM 277 C4 G B 9 -0.865 -6.136 18.264 1.00 0.00 C ATOM 0 H5' G B 9 3.288 -10.645 17.258 1.00 0.00 H new ATOM 0 H5'' G B 9 2.919 -10.698 15.546 1.00 0.00 H new ATOM 0 H4' G B 9 0.928 -10.988 16.820 1.00 0.00 H new ATOM 0 H3' G B 9 1.094 -8.305 15.334 1.00 0.00 H new ATOM 0 H2' G B 9 -1.308 -8.058 16.042 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.328 -9.787 17.090 1.00 0.00 H new ATOM 0 HO5' G B 9 4.324 -8.934 16.087 1.00 0.00 H new ATOM 0 H1' G B 9 -0.846 -8.820 18.655 1.00 0.00 H new ATOM 0 H8 G B 9 2.211 -6.853 17.626 1.00 0.00 H new ATOM 0 H1 G B 9 -2.920 -3.219 18.969 1.00 0.00 H new ATOM 0 H21 G B 9 -4.663 -6.239 18.929 1.00 0.00 H new ATOM 0 H22 G B 9 -4.724 -4.486 19.135 1.00 0.00 H new ATOM 290 P G B 10 -0.315 -9.189 13.232 1.00 0.00 P ATOM 291 OP1 G B 10 -0.460 -10.211 12.172 1.00 0.00 O ATOM 292 OP2 G B 10 0.497 -7.979 12.976 1.00 0.00 O ATOM 293 O5' G B 10 -1.794 -8.714 13.676 1.00 0.00 O ATOM 294 C5' G B 10 -2.848 -9.646 13.801 1.00 0.00 C ATOM 295 C4' G B 10 -4.148 -8.924 14.176 1.00 0.00 C ATOM 296 O4' G B 10 -4.061 -8.240 15.429 1.00 0.00 O ATOM 297 C3' G B 10 -4.540 -7.866 13.170 1.00 0.00 C ATOM 298 O3' G B 10 -5.102 -8.404 11.989 1.00 0.00 O ATOM 299 C2' G B 10 -5.556 -7.115 13.983 1.00 0.00 C ATOM 300 O2' G B 10 -6.734 -7.882 14.117 1.00 0.00 O ATOM 301 C1' G B 10 -4.865 -7.048 15.328 1.00 0.00 C ATOM 302 N9 G B 10 -3.987 -5.868 15.411 1.00 0.00 N ATOM 303 C8 G B 10 -2.631 -5.814 15.267 1.00 0.00 C ATOM 304 N7 G B 10 -2.122 -4.627 15.452 1.00 0.00 N ATOM 305 C5 G B 10 -3.228 -3.833 15.746 1.00 0.00 C ATOM 306 C6 G B 10 -3.303 -2.443 16.061 1.00 0.00 C ATOM 307 O6 G B 10 -2.387 -1.626 16.131 1.00 0.00 O ATOM 308 N1 G B 10 -4.611 -2.043 16.311 1.00 0.00 N ATOM 309 C2 G B 10 -5.712 -2.872 16.272 1.00 0.00 C ATOM 310 N2 G B 10 -6.896 -2.311 16.541 1.00 0.00 N ATOM 311 N3 G B 10 -5.647 -4.178 15.982 1.00 0.00 N ATOM 312 C4 G B 10 -4.377 -4.588 15.730 1.00 0.00 C ATOM 0 H5' G B 10 -2.601 -10.386 14.562 1.00 0.00 H new ATOM 0 H5'' G B 10 -2.980 -10.185 12.863 1.00 0.00 H new ATOM 0 H4' G B 10 -4.885 -9.727 14.214 1.00 0.00 H new ATOM 0 H3' G B 10 -3.708 -7.273 12.790 1.00 0.00 H new ATOM 0 H2' G B 10 -5.843 -6.154 13.557 1.00 0.00 H new ATOM 0 HO2' G B 10 -7.389 -7.385 14.649 1.00 0.00 H new ATOM 0 H1' G B 10 -5.599 -6.974 16.130 1.00 0.00 H new ATOM 0 H8 G B 10 -2.032 -6.678 15.021 1.00 0.00 H new ATOM 0 H1 G B 10 -4.768 -1.062 16.541 1.00 0.00 H new ATOM 0 H21 G B 10 -7.744 -2.878 16.526 1.00 0.00 H new ATOM 0 H22 G B 10 -6.951 -1.316 16.761 1.00 0.00 H new ATOM 324 P A B 11 -5.309 -7.480 10.679 1.00 0.00 P ATOM 325 OP1 A B 11 -5.995 -8.291 9.648 1.00 0.00 O ATOM 326 OP2 A B 11 -4.013 -6.840 10.366 1.00 0.00 O ATOM 327 O5' A B 11 -6.327 -6.328 11.171 1.00 0.00 O ATOM 328 C5' A B 11 -7.697 -6.603 11.368 1.00 0.00 C ATOM 329 C4' A B 11 -8.423 -5.329 11.813 1.00 0.00 C ATOM 330 O4' A B 11 -7.915 -4.811 13.037 1.00 0.00 O ATOM 331 C3' A B 11 -8.299 -4.211 10.799 1.00 0.00 C ATOM 332 O3' A B 11 -9.194 -4.382 9.717 1.00 0.00 O ATOM 333 C2' A B 11 -8.672 -3.022 11.654 1.00 0.00 C ATOM 334 O2' A B 11 -10.068 -3.003 11.863 1.00 0.00 O ATOM 335 C1' A B 11 -8.008 -3.377 12.988 1.00 0.00 C ATOM 336 N9 A B 11 -6.649 -2.829 13.044 1.00 0.00 N ATOM 337 C8 A B 11 -5.469 -3.488 12.864 1.00 0.00 C ATOM 338 N7 A B 11 -4.413 -2.735 12.999 1.00 0.00 N ATOM 339 C5 A B 11 -4.940 -1.484 13.306 1.00 0.00 C ATOM 340 C6 A B 11 -4.345 -0.243 13.590 1.00 0.00 C ATOM 341 N6 A B 11 -3.022 -0.046 13.590 1.00 0.00 N ATOM 342 N1 A B 11 -5.161 0.787 13.887 1.00 0.00 N ATOM 343 C2 A B 11 -6.476 0.590 13.893 1.00 0.00 C ATOM 344 N3 A B 11 -7.154 -0.521 13.638 1.00 0.00 N ATOM 345 C4 A B 11 -6.306 -1.536 13.347 1.00 0.00 C ATOM 0 H5' A B 11 -7.816 -7.382 12.121 1.00 0.00 H new ATOM 0 H5'' A B 11 -8.138 -6.981 10.445 1.00 0.00 H new ATOM 0 H4' A B 11 -9.462 -5.637 11.927 1.00 0.00 H new ATOM 0 H3' A B 11 -7.322 -4.137 10.321 1.00 0.00 H new ATOM 0 H2' A B 11 -8.378 -2.065 11.223 1.00 0.00 H new ATOM 0 HO2' A B 11 -10.498 -3.644 11.259 1.00 0.00 H new ATOM 0 H1' A B 11 -8.587 -2.970 13.817 1.00 0.00 H new ATOM 0 H8 A B 11 -5.414 -4.541 12.630 1.00 0.00 H new ATOM 0 H61 A B 11 -2.644 0.877 13.804 1.00 0.00 H new ATOM 0 H62 A B 11 -2.391 -0.819 13.376 1.00 0.00 H new ATOM 0 H2 A B 11 -7.075 1.454 14.140 1.00 0.00 H new ATOM 357 P G B 12 -9.004 -3.555 8.348 1.00 0.00 P ATOM 358 OP1 G B 12 -10.165 -3.838 7.474 1.00 0.00 O ATOM 359 OP2 G B 12 -7.634 -3.808 7.851 1.00 0.00 O ATOM 360 O5' G B 12 -9.088 -2.018 8.812 1.00 0.00 O ATOM 361 C5' G B 12 -10.318 -1.426 9.174 1.00 0.00 C ATOM 362 C4' G B 12 -10.080 0.022 9.535 1.00 0.00 C ATOM 363 O4' G B 12 -9.241 0.128 10.671 1.00 0.00 O ATOM 364 C3' G B 12 -9.358 0.758 8.454 1.00 0.00 C ATOM 365 O3' G B 12 -10.201 1.065 7.356 1.00 0.00 O ATOM 366 C2' G B 12 -8.988 1.982 9.242 1.00 0.00 C ATOM 367 O2' G B 12 -10.136 2.776 9.460 1.00 0.00 O ATOM 368 C1' G B 12 -8.567 1.376 10.569 1.00 0.00 C ATOM 369 N9 G B 12 -7.105 1.181 10.619 1.00 0.00 N ATOM 370 C8 G B 12 -6.379 0.027 10.478 1.00 0.00 C ATOM 371 N7 G B 12 -5.090 0.192 10.613 1.00 0.00 N ATOM 372 C5 G B 12 -4.951 1.558 10.857 1.00 0.00 C ATOM 373 C6 G B 12 -3.776 2.342 11.085 1.00 0.00 C ATOM 374 O6 G B 12 -2.600 1.979 11.128 1.00 0.00 O ATOM 375 N1 G B 12 -4.090 3.680 11.269 1.00 0.00 N ATOM 376 C2 G B 12 -5.359 4.210 11.253 1.00 0.00 C ATOM 377 N2 G B 12 -5.460 5.529 11.454 1.00 0.00 N ATOM 378 N3 G B 12 -6.460 3.483 11.051 1.00 0.00 N ATOM 379 C4 G B 12 -6.182 2.169 10.857 1.00 0.00 C ATOM 0 H5' G B 12 -10.757 -1.957 10.018 1.00 0.00 H new ATOM 0 H5'' G B 12 -11.027 -1.497 8.349 1.00 0.00 H new ATOM 0 H4' G B 12 -11.070 0.443 9.708 1.00 0.00 H new ATOM 0 H3' G B 12 -8.533 0.223 7.984 1.00 0.00 H new ATOM 0 H2' G B 12 -8.238 2.608 8.759 1.00 0.00 H new ATOM 0 HO2' G B 12 -10.803 2.583 8.768 1.00 0.00 H new ATOM 0 H1' G B 12 -8.825 2.035 11.398 1.00 0.00 H new ATOM 0 H8 G B 12 -6.832 -0.932 10.274 1.00 0.00 H new ATOM 0 H1 G B 12 -3.316 4.324 11.429 1.00 0.00 H new ATOM 0 H21 G B 12 -6.377 5.976 11.453 1.00 0.00 H new ATOM 0 H22 G B 12 -4.620 6.087 11.609 1.00 0.00 H new ATOM 391 P U B 13 -9.586 1.529 5.939 1.00 0.00 P ATOM 392 OP1 U B 13 -10.701 1.989 5.081 1.00 0.00 O ATOM 393 OP2 U B 13 -8.689 0.454 5.460 1.00 0.00 O ATOM 394 O5' U B 13 -8.677 2.803 6.309 1.00 0.00 O ATOM 395 C5' U B 13 -9.250 4.050 6.643 1.00 0.00 C ATOM 396 C4' U B 13 -8.123 5.033 6.979 1.00 0.00 C ATOM 397 O4' U B 13 -7.340 4.577 8.080 1.00 0.00 O ATOM 398 C3' U B 13 -7.164 5.182 5.812 1.00 0.00 C ATOM 399 O3' U B 13 -7.612 6.141 4.863 1.00 0.00 O ATOM 400 C2' U B 13 -5.909 5.619 6.494 1.00 0.00 C ATOM 401 O2' U B 13 -5.948 7.012 6.728 1.00 0.00 O ATOM 402 C1' U B 13 -5.965 4.895 7.823 1.00 0.00 C ATOM 403 N1 U B 13 -5.147 3.661 7.807 1.00 0.00 N ATOM 404 C2 U B 13 -3.792 3.793 8.069 1.00 0.00 C ATOM 405 O2 U B 13 -3.274 4.889 8.268 1.00 0.00 O ATOM 406 N3 U B 13 -3.053 2.619 8.101 1.00 0.00 N ATOM 407 C4 U B 13 -3.563 1.338 7.935 1.00 0.00 C ATOM 408 O4 U B 13 -2.824 0.359 7.979 1.00 0.00 O ATOM 409 C5 U B 13 -4.998 1.300 7.726 1.00 0.00 C ATOM 410 C6 U B 13 -5.721 2.431 7.666 1.00 0.00 C ATOM 0 H5' U B 13 -9.923 3.941 7.494 1.00 0.00 H new ATOM 0 H5'' U B 13 -9.845 4.427 5.812 1.00 0.00 H new ATOM 0 H4' U B 13 -8.611 5.978 7.216 1.00 0.00 H new ATOM 0 H3' U B 13 -7.052 4.270 5.226 1.00 0.00 H new ATOM 0 H2' U B 13 -5.012 5.406 5.913 1.00 0.00 H new ATOM 0 HO2' U B 13 -6.731 7.397 6.282 1.00 0.00 H new ATOM 0 H1' U B 13 -5.557 5.533 8.607 1.00 0.00 H new ATOM 0 H3 U B 13 -2.049 2.704 8.260 1.00 0.00 H new ATOM 0 H5 U B 13 -5.494 0.347 7.617 1.00 0.00 H new ATOM 0 H6 U B 13 -6.786 2.365 7.502 1.00 0.00 H new ATOM 421 P U B 14 -6.848 6.339 3.447 1.00 0.00 P ATOM 422 OP1 U B 14 -7.699 7.190 2.586 1.00 0.00 O ATOM 423 OP2 U B 14 -6.434 5.001 2.969 1.00 0.00 O ATOM 424 O5' U B 14 -5.505 7.178 3.804 1.00 0.00 O ATOM 425 C5' U B 14 -5.540 8.587 3.992 1.00 0.00 C ATOM 426 C4' U B 14 -4.104 9.132 4.131 1.00 0.00 C ATOM 427 O4' U B 14 -3.463 8.640 5.302 1.00 0.00 O ATOM 428 C3' U B 14 -3.217 8.719 2.968 1.00 0.00 C ATOM 429 O3' U B 14 -3.386 9.539 1.828 1.00 0.00 O ATOM 430 C2' U B 14 -1.861 8.923 3.584 1.00 0.00 C ATOM 431 O2' U B 14 -1.552 10.300 3.627 1.00 0.00 O ATOM 432 C1' U B 14 -2.075 8.438 4.997 1.00 0.00 C ATOM 433 N1 U B 14 -1.746 7.002 5.121 1.00 0.00 N ATOM 434 C2 U B 14 -0.415 6.637 5.259 1.00 0.00 C ATOM 435 O2 U B 14 0.501 7.454 5.193 1.00 0.00 O ATOM 436 N3 U B 14 -0.175 5.290 5.484 1.00 0.00 N ATOM 437 C4 U B 14 -1.140 4.299 5.599 1.00 0.00 C ATOM 438 O4 U B 14 -0.820 3.132 5.803 1.00 0.00 O ATOM 439 C5 U B 14 -2.494 4.781 5.459 1.00 0.00 C ATOM 440 C6 U B 14 -2.741 6.086 5.223 1.00 0.00 C ATOM 0 H5' U B 14 -6.119 8.830 4.883 1.00 0.00 H new ATOM 0 H5'' U B 14 -6.039 9.063 3.148 1.00 0.00 H new ATOM 0 H4' U B 14 -4.219 10.215 4.167 1.00 0.00 H new ATOM 0 H3' U B 14 -3.419 7.716 2.593 1.00 0.00 H new ATOM 0 H2' U B 14 -1.060 8.420 3.043 1.00 0.00 H new ATOM 0 HO2' U B 14 -2.173 10.793 3.050 1.00 0.00 H new ATOM 0 H1' U B 14 -1.428 8.984 5.684 1.00 0.00 H new ATOM 0 H3 U B 14 0.799 5.001 5.573 1.00 0.00 H new ATOM 0 H5 U B 14 -3.318 4.089 5.544 1.00 0.00 H new ATOM 0 H6 U B 14 -3.765 6.412 5.112 1.00 0.00 H new ATOM 451 P C B 15 -2.750 9.110 0.403 1.00 0.00 P ATOM 452 OP1 C B 15 -2.994 10.209 -0.557 1.00 0.00 O ATOM 453 OP2 C B 15 -3.227 7.745 0.090 1.00 0.00 O ATOM 454 O5' C B 15 -1.158 9.028 0.680 1.00 0.00 O ATOM 455 C5' C B 15 -0.358 10.195 0.741 1.00 0.00 C ATOM 456 C4' C B 15 1.113 9.799 0.933 1.00 0.00 C ATOM 457 O4' C B 15 1.327 9.075 2.152 1.00 0.00 O ATOM 458 C3' C B 15 1.592 8.875 -0.166 1.00 0.00 C ATOM 459 O3' C B 15 1.889 9.569 -1.365 1.00 0.00 O ATOM 460 C2' C B 15 2.832 8.321 0.485 1.00 0.00 C ATOM 461 O2' C B 15 3.859 9.288 0.451 1.00 0.00 O ATOM 462 C1' C B 15 2.400 8.136 1.928 1.00 0.00 C ATOM 463 N1 C B 15 1.941 6.744 2.178 1.00 0.00 N ATOM 464 C2 C B 15 2.910 5.787 2.466 1.00 0.00 C ATOM 465 O2 C B 15 4.102 6.085 2.450 1.00 0.00 O ATOM 466 N3 C B 15 2.499 4.522 2.767 1.00 0.00 N ATOM 467 C4 C B 15 1.196 4.208 2.785 1.00 0.00 C ATOM 468 N4 C B 15 0.837 2.957 3.097 1.00 0.00 N ATOM 469 C5 C B 15 0.189 5.186 2.492 1.00 0.00 C ATOM 470 C6 C B 15 0.613 6.431 2.198 1.00 0.00 C ATOM 0 H5' C B 15 -0.685 10.830 1.564 1.00 0.00 H new ATOM 0 H5'' C B 15 -0.473 10.776 -0.174 1.00 0.00 H new ATOM 0 H4' C B 15 1.656 10.744 0.934 1.00 0.00 H new ATOM 0 H3' C B 15 0.863 8.130 -0.484 1.00 0.00 H new ATOM 0 H2' C B 15 3.202 7.415 0.004 1.00 0.00 H new ATOM 0 HO2' C B 15 3.569 10.055 -0.086 1.00 0.00 H new ATOM 0 H1' C B 15 3.233 8.314 2.609 1.00 0.00 H new ATOM 0 H41 C B 15 -0.150 2.699 3.116 1.00 0.00 H new ATOM 0 H42 C B 15 1.550 2.261 3.316 1.00 0.00 H new ATOM 0 H5 C B 15 -0.862 4.936 2.506 1.00 0.00 H new ATOM 0 H6 C B 15 -0.114 7.197 1.973 1.00 0.00 H new ATOM 482 P C B 16 2.172 8.764 -2.736 1.00 0.00 P ATOM 483 OP1 C B 16 2.519 9.747 -3.786 1.00 0.00 O ATOM 484 OP2 C B 16 1.049 7.825 -2.952 1.00 0.00 O ATOM 485 O5' C B 16 3.488 7.896 -2.407 1.00 0.00 O ATOM 486 C5' C B 16 4.771 8.486 -2.393 1.00 0.00 C ATOM 487 C4' C B 16 5.802 7.423 -2.002 1.00 0.00 C ATOM 488 O4' C B 16 5.530 6.881 -0.712 1.00 0.00 O ATOM 489 C3' C B 16 5.767 6.236 -2.940 1.00 0.00 C ATOM 490 O3' C B 16 6.455 6.483 -4.146 1.00 0.00 O ATOM 491 C2' C B 16 6.475 5.199 -2.109 1.00 0.00 C ATOM 492 O2' C B 16 7.872 5.382 -2.212 1.00 0.00 O ATOM 493 C1' C B 16 6.023 5.530 -0.687 1.00 0.00 C ATOM 494 N1 C B 16 4.943 4.587 -0.305 1.00 0.00 N ATOM 495 C2 C B 16 5.313 3.359 0.230 1.00 0.00 C ATOM 496 O2 C B 16 6.498 3.102 0.431 1.00 0.00 O ATOM 497 N3 C B 16 4.331 2.455 0.514 1.00 0.00 N ATOM 498 C4 C B 16 3.043 2.742 0.276 1.00 0.00 C ATOM 499 N4 C B 16 2.110 1.832 0.572 1.00 0.00 N ATOM 500 C5 C B 16 2.652 3.996 -0.294 1.00 0.00 C ATOM 501 C6 C B 16 3.638 4.877 -0.564 1.00 0.00 C ATOM 0 H5' C B 16 4.797 9.315 -1.685 1.00 0.00 H new ATOM 0 H5'' C B 16 5.007 8.897 -3.374 1.00 0.00 H new ATOM 0 H4' C B 16 6.764 7.934 -2.034 1.00 0.00 H new ATOM 0 H3' C B 16 4.764 5.959 -3.264 1.00 0.00 H new ATOM 0 H2' C B 16 6.254 4.175 -2.411 1.00 0.00 H new ATOM 0 HO2' C B 16 8.073 5.932 -2.998 1.00 0.00 H new ATOM 0 HO3' C B 16 6.407 5.689 -4.719 1.00 0.00 H new ATOM 0 H1' C B 16 6.834 5.439 0.036 1.00 0.00 H new ATOM 0 H41 C B 16 1.126 2.035 0.397 1.00 0.00 H new ATOM 0 H42 C B 16 2.382 0.934 0.973 1.00 0.00 H new ATOM 0 H5 C B 16 1.617 4.226 -0.498 1.00 0.00 H new ATOM 0 H6 C B 16 3.386 5.834 -0.996 1.00 0.00 H new TER 514 C B 16