USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 155 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= 0.0507 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00569 USER MOD Single : A 2 G O2' : rot -17:sc= 0.0699 USER MOD Single : A 3 C O2' : rot 180:sc= -0.14 USER MOD Single : A 4 G O2' : rot 180:sc= -0.0972 USER MOD Single : A 5 C O2' : rot 180:sc= -0.181 USER MOD Single : A 6 A O2' : rot -13:sc= -0.251 USER MOD Single : A 7 U O2' : rot 29:sc= 0.0759 USER MOD Single : A 8 C O2' : rot 180:sc= -0.434 USER MOD Single : A 9 G O2' : rot 24:sc= 0.288 USER MOD Single : A 10 G O2' : rot 180:sc= -0.439 USER MOD Single : A 11 C O2' : rot -19:sc= 0.0501 USER MOD Single : A 12 G O2' : rot -17:sc= 0.086 USER MOD Single : A 13 C O2' : rot 180:sc= -0.0174 USER MOD Single : A 14 C O2' : rot -16:sc= 0.12 USER MOD Single : A 14 C O3' : rot 180:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.666 -8.268 -9.200 1.00 0.00 O ATOM 2 C5' G A 1 9.813 -9.073 -9.009 1.00 0.00 C ATOM 3 C4' G A 1 10.626 -8.632 -7.790 1.00 0.00 C ATOM 4 O4' G A 1 11.286 -7.391 -7.999 1.00 0.00 O ATOM 5 C3' G A 1 9.795 -8.455 -6.527 1.00 0.00 C ATOM 6 O3' G A 1 9.452 -9.672 -5.893 1.00 0.00 O ATOM 7 C2' G A 1 10.765 -7.617 -5.702 1.00 0.00 C ATOM 8 O2' G A 1 11.831 -8.413 -5.223 1.00 0.00 O ATOM 9 C1' G A 1 11.327 -6.678 -6.768 1.00 0.00 C ATOM 10 N9 G A 1 10.499 -5.459 -6.850 1.00 0.00 N ATOM 11 C8 G A 1 9.362 -5.235 -7.585 1.00 0.00 C ATOM 12 N7 G A 1 8.864 -4.038 -7.450 1.00 0.00 N ATOM 13 C5 G A 1 9.737 -3.410 -6.564 1.00 0.00 C ATOM 14 C6 G A 1 9.717 -2.082 -6.055 1.00 0.00 C ATOM 15 O6 G A 1 8.915 -1.184 -6.300 1.00 0.00 O ATOM 16 N1 G A 1 10.766 -1.850 -5.181 1.00 0.00 N ATOM 17 C2 G A 1 11.720 -2.777 -4.843 1.00 0.00 C ATOM 18 N2 G A 1 12.654 -2.391 -3.983 1.00 0.00 N ATOM 19 N3 G A 1 11.759 -4.024 -5.326 1.00 0.00 N ATOM 20 C4 G A 1 10.734 -4.277 -6.182 1.00 0.00 C ATOM 0 H5' G A 1 10.440 -9.027 -9.899 1.00 0.00 H new ATOM 0 H5'' G A 1 9.510 -10.113 -8.886 1.00 0.00 H new ATOM 0 H4' G A 1 11.338 -9.447 -7.658 1.00 0.00 H new ATOM 0 H3' G A 1 8.814 -8.009 -6.694 1.00 0.00 H new ATOM 0 H2' G A 1 10.300 -7.140 -4.839 1.00 0.00 H new ATOM 0 HO2' G A 1 11.563 -9.356 -5.226 1.00 0.00 H new ATOM 0 HO5' G A 1 8.175 -8.580 -9.988 1.00 0.00 H new ATOM 0 H1' G A 1 12.345 -6.370 -6.531 1.00 0.00 H new ATOM 0 H8 G A 1 8.918 -5.986 -8.221 1.00 0.00 H new ATOM 0 H1 G A 1 10.834 -0.924 -4.758 1.00 0.00 H new ATOM 0 H21 G A 1 13.386 -3.042 -3.699 1.00 0.00 H new ATOM 0 H22 G A 1 12.640 -1.443 -3.606 1.00 0.00 H new ATOM 33 P G A 2 8.216 -9.731 -4.861 1.00 0.00 P ATOM 34 OP1 G A 2 7.081 -9.005 -5.480 1.00 0.00 O ATOM 35 OP2 G A 2 8.038 -11.139 -4.439 1.00 0.00 O ATOM 36 O5' G A 2 8.701 -8.880 -3.582 1.00 0.00 O ATOM 37 C5' G A 2 9.703 -9.361 -2.719 1.00 0.00 C ATOM 38 C4' G A 2 9.972 -8.355 -1.603 1.00 0.00 C ATOM 39 O4' G A 2 10.465 -7.123 -2.105 1.00 0.00 O ATOM 40 C3' G A 2 8.737 -8.027 -0.780 1.00 0.00 C ATOM 41 O3' G A 2 8.418 -9.018 0.173 1.00 0.00 O ATOM 42 C2' G A 2 9.178 -6.720 -0.143 1.00 0.00 C ATOM 43 O2' G A 2 10.063 -6.964 0.931 1.00 0.00 O ATOM 44 C1' G A 2 9.973 -6.075 -1.282 1.00 0.00 C ATOM 45 N9 G A 2 9.103 -5.173 -2.059 1.00 0.00 N ATOM 46 C8 G A 2 8.237 -5.478 -3.080 1.00 0.00 C ATOM 47 N7 G A 2 7.622 -4.446 -3.586 1.00 0.00 N ATOM 48 C5 G A 2 8.100 -3.374 -2.840 1.00 0.00 C ATOM 49 C6 G A 2 7.781 -1.984 -2.917 1.00 0.00 C ATOM 50 O6 G A 2 7.007 -1.415 -3.681 1.00 0.00 O ATOM 51 N1 G A 2 8.477 -1.244 -1.970 1.00 0.00 N ATOM 52 C2 G A 2 9.357 -1.770 -1.057 1.00 0.00 C ATOM 53 N2 G A 2 9.914 -0.911 -0.207 1.00 0.00 N ATOM 54 N3 G A 2 9.674 -3.068 -0.983 1.00 0.00 N ATOM 55 C4 G A 2 9.003 -3.809 -1.901 1.00 0.00 C ATOM 0 H5' G A 2 10.619 -9.544 -3.281 1.00 0.00 H new ATOM 0 H5'' G A 2 9.396 -10.315 -2.291 1.00 0.00 H new ATOM 0 H4' G A 2 10.714 -8.847 -0.974 1.00 0.00 H new ATOM 0 H3' G A 2 7.816 -7.966 -1.361 1.00 0.00 H new ATOM 0 H2' G A 2 8.350 -6.128 0.247 1.00 0.00 H new ATOM 0 HO2' G A 2 9.986 -7.900 1.212 1.00 0.00 H new ATOM 0 H1' G A 2 10.799 -5.482 -0.889 1.00 0.00 H new ATOM 0 H8 G A 2 8.079 -6.486 -3.433 1.00 0.00 H new ATOM 0 H1 G A 2 8.323 -0.236 -1.951 1.00 0.00 H new ATOM 0 H21 G A 2 10.576 -1.244 0.494 1.00 0.00 H new ATOM 0 H22 G A 2 9.679 0.080 -0.257 1.00 0.00 H new ATOM 67 P C A 3 6.905 -9.202 0.682 1.00 0.00 P ATOM 68 OP1 C A 3 6.007 -9.173 -0.495 1.00 0.00 O ATOM 69 OP2 C A 3 6.864 -10.364 1.597 1.00 0.00 O ATOM 70 O5' C A 3 6.629 -7.879 1.553 1.00 0.00 O ATOM 71 C5' C A 3 7.239 -7.689 2.816 1.00 0.00 C ATOM 72 C4' C A 3 6.932 -6.290 3.358 1.00 0.00 C ATOM 73 O4' C A 3 7.487 -5.268 2.545 1.00 0.00 O ATOM 74 C3' C A 3 5.439 -5.984 3.460 1.00 0.00 C ATOM 75 O3' C A 3 4.804 -6.602 4.568 1.00 0.00 O ATOM 76 C2' C A 3 5.514 -4.468 3.594 1.00 0.00 C ATOM 77 O2' C A 3 5.918 -4.082 4.894 1.00 0.00 O ATOM 78 C1' C A 3 6.633 -4.132 2.610 1.00 0.00 C ATOM 79 N1 C A 3 6.048 -3.816 1.288 1.00 0.00 N ATOM 80 C2 C A 3 5.708 -2.489 1.050 1.00 0.00 C ATOM 81 O2 C A 3 5.887 -1.629 1.908 1.00 0.00 O ATOM 82 N3 C A 3 5.171 -2.155 -0.148 1.00 0.00 N ATOM 83 C4 C A 3 4.961 -3.086 -1.079 1.00 0.00 C ATOM 84 N4 C A 3 4.423 -2.714 -2.234 1.00 0.00 N ATOM 85 C5 C A 3 5.305 -4.455 -0.851 1.00 0.00 C ATOM 86 C6 C A 3 5.841 -4.788 0.345 1.00 0.00 C ATOM 0 H5' C A 3 8.317 -7.823 2.729 1.00 0.00 H new ATOM 0 H5'' C A 3 6.880 -8.443 3.516 1.00 0.00 H new ATOM 0 H4' C A 3 7.378 -6.298 4.352 1.00 0.00 H new ATOM 0 H3' C A 3 4.839 -6.356 2.629 1.00 0.00 H new ATOM 0 H2' C A 3 4.560 -3.974 3.410 1.00 0.00 H new ATOM 0 HO2' C A 3 5.958 -3.104 4.947 1.00 0.00 H new ATOM 0 H1' C A 3 7.204 -3.260 2.929 1.00 0.00 H new ATOM 0 H41 C A 3 4.252 -3.406 -2.963 1.00 0.00 H new ATOM 0 H42 C A 3 4.181 -1.736 -2.392 1.00 0.00 H new ATOM 0 H5 C A 3 5.141 -5.203 -1.613 1.00 0.00 H new ATOM 0 H6 C A 3 6.104 -5.814 0.556 1.00 0.00 H new ATOM 98 P G A 4 3.201 -6.735 4.627 1.00 0.00 P ATOM 99 OP1 G A 4 2.721 -7.183 3.299 1.00 0.00 O ATOM 100 OP2 G A 4 2.856 -7.536 5.827 1.00 0.00 O ATOM 101 O5' G A 4 2.694 -5.231 4.858 1.00 0.00 O ATOM 102 C5' G A 4 2.943 -4.565 6.079 1.00 0.00 C ATOM 103 C4' G A 4 2.511 -3.103 6.000 1.00 0.00 C ATOM 104 O4' G A 4 3.205 -2.413 4.969 1.00 0.00 O ATOM 105 C3' G A 4 1.031 -2.910 5.714 1.00 0.00 C ATOM 106 O3' G A 4 0.219 -3.090 6.858 1.00 0.00 O ATOM 107 C2' G A 4 1.052 -1.462 5.243 1.00 0.00 C ATOM 108 O2' G A 4 1.236 -0.576 6.332 1.00 0.00 O ATOM 109 C1' G A 4 2.324 -1.450 4.406 1.00 0.00 C ATOM 110 N9 G A 4 1.982 -1.778 3.006 1.00 0.00 N ATOM 111 C8 G A 4 2.157 -2.950 2.307 1.00 0.00 C ATOM 112 N7 G A 4 1.733 -2.904 1.079 1.00 0.00 N ATOM 113 C5 G A 4 1.245 -1.609 0.939 1.00 0.00 C ATOM 114 C6 G A 4 0.682 -0.967 -0.204 1.00 0.00 C ATOM 115 O6 G A 4 0.508 -1.420 -1.333 1.00 0.00 O ATOM 116 N1 G A 4 0.308 0.336 0.073 1.00 0.00 N ATOM 117 C2 G A 4 0.473 0.955 1.287 1.00 0.00 C ATOM 118 N2 G A 4 0.049 2.212 1.380 1.00 0.00 N ATOM 119 N3 G A 4 1.022 0.372 2.357 1.00 0.00 N ATOM 120 C4 G A 4 1.385 -0.912 2.113 1.00 0.00 C ATOM 0 H5' G A 4 4.005 -4.622 6.319 1.00 0.00 H new ATOM 0 H5'' G A 4 2.406 -5.064 6.886 1.00 0.00 H new ATOM 0 H4' G A 4 2.743 -2.707 6.988 1.00 0.00 H new ATOM 0 H3' G A 4 0.607 -3.625 5.009 1.00 0.00 H new ATOM 0 H2' G A 4 0.137 -1.157 4.735 1.00 0.00 H new ATOM 0 HO2' G A 4 1.248 0.347 6.004 1.00 0.00 H new ATOM 0 H1' G A 4 2.806 -0.472 4.408 1.00 0.00 H new ATOM 0 H8 G A 4 2.607 -3.831 2.740 1.00 0.00 H new ATOM 0 H1 G A 4 -0.121 0.875 -0.679 1.00 0.00 H new ATOM 0 H21 G A 4 0.147 2.720 2.259 1.00 0.00 H new ATOM 0 H22 G A 4 -0.374 2.668 0.572 1.00 0.00 H new ATOM 132 P C A 5 -1.359 -3.404 6.730 1.00 0.00 P ATOM 133 OP1 C A 5 -1.909 -3.559 8.096 1.00 0.00 O ATOM 134 OP2 C A 5 -1.534 -4.500 5.751 1.00 0.00 O ATOM 135 O5' C A 5 -1.982 -2.066 6.088 1.00 0.00 O ATOM 136 C5' C A 5 -2.069 -0.875 6.846 1.00 0.00 C ATOM 137 C4' C A 5 -2.686 0.245 6.013 1.00 0.00 C ATOM 138 O4' C A 5 -1.910 0.527 4.856 1.00 0.00 O ATOM 139 C3' C A 5 -4.088 -0.074 5.517 1.00 0.00 C ATOM 140 O3' C A 5 -5.100 0.072 6.500 1.00 0.00 O ATOM 141 C2' C A 5 -4.197 0.953 4.396 1.00 0.00 C ATOM 142 O2' C A 5 -4.471 2.244 4.913 1.00 0.00 O ATOM 143 C1' C A 5 -2.786 0.950 3.811 1.00 0.00 C ATOM 144 N1 C A 5 -2.729 0.028 2.658 1.00 0.00 N ATOM 145 C2 C A 5 -3.236 0.478 1.443 1.00 0.00 C ATOM 146 O2 C A 5 -3.721 1.602 1.353 1.00 0.00 O ATOM 147 N3 C A 5 -3.194 -0.337 0.361 1.00 0.00 N ATOM 148 C4 C A 5 -2.678 -1.558 0.473 1.00 0.00 C ATOM 149 N4 C A 5 -2.675 -2.335 -0.610 1.00 0.00 N ATOM 150 C5 C A 5 -2.149 -2.045 1.703 1.00 0.00 C ATOM 151 C6 C A 5 -2.186 -1.221 2.776 1.00 0.00 C ATOM 0 H5' C A 5 -1.076 -0.579 7.185 1.00 0.00 H new ATOM 0 H5'' C A 5 -2.672 -1.048 7.738 1.00 0.00 H new ATOM 0 H4' C A 5 -2.719 1.097 6.692 1.00 0.00 H new ATOM 0 H3' C A 5 -4.232 -1.112 5.218 1.00 0.00 H new ATOM 0 H2' C A 5 -4.991 0.720 3.686 1.00 0.00 H new ATOM 0 HO2' C A 5 -4.535 2.885 4.175 1.00 0.00 H new ATOM 0 H1' C A 5 -2.494 1.937 3.452 1.00 0.00 H new ATOM 0 H41 C A 5 -2.287 -3.277 -0.561 1.00 0.00 H new ATOM 0 H42 C A 5 -3.060 -1.987 -1.488 1.00 0.00 H new ATOM 0 H5 C A 5 -1.732 -3.039 1.777 1.00 0.00 H new ATOM 0 H6 C A 5 -1.787 -1.550 3.724 1.00 0.00 H new ATOM 163 P A A 6 -6.548 -0.620 6.324 1.00 0.00 P ATOM 164 OP1 A A 6 -6.316 -2.050 6.012 1.00 0.00 O ATOM 165 OP2 A A 6 -7.366 -0.256 7.508 1.00 0.00 O ATOM 166 O5' A A 6 -7.187 0.062 5.017 1.00 0.00 O ATOM 167 C5' A A 6 -7.621 1.414 5.026 1.00 0.00 C ATOM 168 C4' A A 6 -7.977 1.845 3.596 1.00 0.00 C ATOM 169 O4' A A 6 -6.900 1.531 2.725 1.00 0.00 O ATOM 170 C3' A A 6 -9.192 1.118 3.048 1.00 0.00 C ATOM 171 O3' A A 6 -10.417 1.738 3.404 1.00 0.00 O ATOM 172 C2' A A 6 -8.946 1.182 1.554 1.00 0.00 C ATOM 173 O2' A A 6 -9.367 2.452 1.073 1.00 0.00 O ATOM 174 C1' A A 6 -7.422 1.148 1.459 1.00 0.00 C ATOM 175 N9 A A 6 -6.945 -0.197 1.096 1.00 0.00 N ATOM 176 C8 A A 6 -6.398 -1.171 1.889 1.00 0.00 C ATOM 177 N7 A A 6 -6.055 -2.254 1.242 1.00 0.00 N ATOM 178 C5 A A 6 -6.424 -1.977 -0.080 1.00 0.00 C ATOM 179 C6 A A 6 -6.355 -2.710 -1.281 1.00 0.00 C ATOM 180 N6 A A 6 -5.863 -3.950 -1.377 1.00 0.00 N ATOM 181 N1 A A 6 -6.811 -2.129 -2.394 1.00 0.00 N ATOM 182 C2 A A 6 -7.304 -0.906 -2.331 1.00 0.00 C ATOM 183 N3 A A 6 -7.425 -0.112 -1.283 1.00 0.00 N ATOM 184 C4 A A 6 -6.966 -0.725 -0.165 1.00 0.00 C ATOM 0 H5' A A 6 -6.837 2.056 5.427 1.00 0.00 H new ATOM 0 H5'' A A 6 -8.488 1.525 5.677 1.00 0.00 H new ATOM 0 H4' A A 6 -8.184 2.914 3.643 1.00 0.00 H new ATOM 0 H3' A A 6 -9.296 0.107 3.442 1.00 0.00 H new ATOM 0 H2' A A 6 -9.458 0.396 0.999 1.00 0.00 H new ATOM 0 HO2' A A 6 -9.904 2.900 1.759 1.00 0.00 H new ATOM 0 H1' A A 6 -7.084 1.833 0.681 1.00 0.00 H new ATOM 0 H8 A A 6 -6.262 -1.055 2.954 1.00 0.00 H new ATOM 0 H61 A A 6 -5.844 -4.422 -2.281 1.00 0.00 H new ATOM 0 H62 A A 6 -5.507 -4.423 -0.546 1.00 0.00 H new ATOM 0 H2 A A 6 -7.657 -0.498 -3.267 1.00 0.00 H new ATOM 196 P U A 7 -11.812 0.919 3.373 1.00 0.00 P ATOM 197 OP1 U A 7 -11.634 -0.323 4.164 1.00 0.00 O ATOM 198 OP2 U A 7 -12.902 1.850 3.738 1.00 0.00 O ATOM 199 O5' U A 7 -12.019 0.484 1.833 1.00 0.00 O ATOM 200 C5' U A 7 -12.411 1.411 0.848 1.00 0.00 C ATOM 201 C4' U A 7 -12.486 0.715 -0.515 1.00 0.00 C ATOM 202 O4' U A 7 -11.297 -0.035 -0.734 1.00 0.00 O ATOM 203 C3' U A 7 -13.651 -0.272 -0.567 1.00 0.00 C ATOM 204 O3' U A 7 -14.260 -0.320 -1.839 1.00 0.00 O ATOM 205 C2' U A 7 -12.971 -1.581 -0.207 1.00 0.00 C ATOM 206 O2' U A 7 -13.704 -2.721 -0.620 1.00 0.00 O ATOM 207 C1' U A 7 -11.633 -1.399 -0.918 1.00 0.00 C ATOM 208 N1 U A 7 -10.618 -2.321 -0.342 1.00 0.00 N ATOM 209 C2 U A 7 -10.074 -3.273 -1.194 1.00 0.00 C ATOM 210 O2 U A 7 -10.383 -3.356 -2.374 1.00 0.00 O ATOM 211 N3 U A 7 -9.149 -4.129 -0.628 1.00 0.00 N ATOM 212 C4 U A 7 -8.755 -4.106 0.700 1.00 0.00 C ATOM 213 O4 U A 7 -7.948 -4.934 1.120 1.00 0.00 O ATOM 214 C5 U A 7 -9.352 -3.068 1.509 1.00 0.00 C ATOM 215 C6 U A 7 -10.259 -2.221 0.978 1.00 0.00 C ATOM 0 H5' U A 7 -11.700 2.236 0.807 1.00 0.00 H new ATOM 0 H5'' U A 7 -13.381 1.839 1.103 1.00 0.00 H new ATOM 0 H4' U A 7 -12.618 1.489 -1.271 1.00 0.00 H new ATOM 0 H3' U A 7 -14.473 -0.008 0.098 1.00 0.00 H new ATOM 0 H2' U A 7 -12.876 -1.771 0.862 1.00 0.00 H new ATOM 0 HO2' U A 7 -14.234 -2.499 -1.414 1.00 0.00 H new ATOM 0 H1' U A 7 -11.679 -1.641 -1.980 1.00 0.00 H new ATOM 0 H3 U A 7 -8.724 -4.831 -1.234 1.00 0.00 H new ATOM 0 H5 U A 7 -9.070 -2.969 2.547 1.00 0.00 H new ATOM 0 H6 U A 7 -10.706 -1.458 1.598 1.00 0.00 H new ATOM 226 P C A 8 -15.025 0.960 -2.451 1.00 0.00 P ATOM 227 OP1 C A 8 -15.190 1.975 -1.381 1.00 0.00 O ATOM 228 OP2 C A 8 -16.214 0.478 -3.191 1.00 0.00 O ATOM 229 O5' C A 8 -13.958 1.527 -3.513 1.00 0.00 O ATOM 230 C5' C A 8 -13.936 1.031 -4.841 1.00 0.00 C ATOM 231 C4' C A 8 -12.909 1.786 -5.682 1.00 0.00 C ATOM 232 O4' C A 8 -13.112 3.193 -5.571 1.00 0.00 O ATOM 233 C3' C A 8 -11.485 1.495 -5.223 1.00 0.00 C ATOM 234 O3' C A 8 -10.918 0.328 -5.800 1.00 0.00 O ATOM 235 C2' C A 8 -10.821 2.800 -5.648 1.00 0.00 C ATOM 236 O2' C A 8 -10.572 2.900 -7.032 1.00 0.00 O ATOM 237 C1' C A 8 -11.881 3.813 -5.231 1.00 0.00 C ATOM 238 N1 C A 8 -11.859 4.144 -3.785 1.00 0.00 N ATOM 239 C2 C A 8 -12.728 5.145 -3.364 1.00 0.00 C ATOM 240 O2 C A 8 -13.469 5.697 -4.168 1.00 0.00 O ATOM 241 N3 C A 8 -12.747 5.504 -2.051 1.00 0.00 N ATOM 242 C4 C A 8 -11.932 4.898 -1.186 1.00 0.00 C ATOM 243 N4 C A 8 -11.972 5.282 0.090 1.00 0.00 N ATOM 244 C5 C A 8 -11.029 3.863 -1.592 1.00 0.00 C ATOM 245 C6 C A 8 -11.023 3.510 -2.895 1.00 0.00 C ATOM 0 H5' C A 8 -14.925 1.132 -5.289 1.00 0.00 H new ATOM 0 H5'' C A 8 -13.696 -0.032 -4.833 1.00 0.00 H new ATOM 0 H4' C A 8 -13.041 1.452 -6.711 1.00 0.00 H new ATOM 0 H3' C A 8 -11.378 1.254 -4.165 1.00 0.00 H new ATOM 0 H2' C A 8 -9.834 2.925 -5.204 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.148 3.762 -7.227 1.00 0.00 H new ATOM 0 H1' C A 8 -11.711 4.766 -5.732 1.00 0.00 H new ATOM 0 H41 C A 8 -11.361 4.838 0.776 1.00 0.00 H new ATOM 0 H42 C A 8 -12.613 6.020 0.381 1.00 0.00 H new ATOM 0 H5 C A 8 -10.375 3.381 -0.880 1.00 0.00 H new ATOM 0 H6 C A 8 -10.361 2.729 -3.239 1.00 0.00 H new ATOM 257 P G A 9 -9.420 -0.146 -5.438 1.00 0.00 P ATOM 258 OP1 G A 9 -9.515 -1.449 -4.744 1.00 0.00 O ATOM 259 OP2 G A 9 -8.684 0.978 -4.805 1.00 0.00 O ATOM 260 O5' G A 9 -8.781 -0.398 -6.889 1.00 0.00 O ATOM 261 C5' G A 9 -8.919 0.596 -7.886 1.00 0.00 C ATOM 262 C4' G A 9 -8.278 0.148 -9.197 1.00 0.00 C ATOM 263 O4' G A 9 -8.944 -0.998 -9.703 1.00 0.00 O ATOM 264 C3' G A 9 -8.529 1.214 -10.258 1.00 0.00 C ATOM 265 O3' G A 9 -7.725 1.030 -11.408 1.00 0.00 O ATOM 266 C2' G A 9 -9.992 0.945 -10.585 1.00 0.00 C ATOM 267 O2' G A 9 -10.284 1.280 -11.929 1.00 0.00 O ATOM 268 C1' G A 9 -10.152 -0.561 -10.310 1.00 0.00 C ATOM 269 N9 G A 9 -11.330 -0.804 -9.446 1.00 0.00 N ATOM 270 C8 G A 9 -12.494 -0.074 -9.359 1.00 0.00 C ATOM 271 N7 G A 9 -13.342 -0.528 -8.480 1.00 0.00 N ATOM 272 C5 G A 9 -12.711 -1.648 -7.947 1.00 0.00 C ATOM 273 C6 G A 9 -13.144 -2.556 -6.938 1.00 0.00 C ATOM 274 O6 G A 9 -14.194 -2.551 -6.299 1.00 0.00 O ATOM 275 N1 G A 9 -12.208 -3.547 -6.695 1.00 0.00 N ATOM 276 C2 G A 9 -11.012 -3.669 -7.353 1.00 0.00 C ATOM 277 N2 G A 9 -10.238 -4.693 -6.995 1.00 0.00 N ATOM 278 N3 G A 9 -10.599 -2.833 -8.305 1.00 0.00 N ATOM 279 C4 G A 9 -11.490 -1.836 -8.547 1.00 0.00 C ATOM 0 H5' G A 9 -8.455 1.522 -7.548 1.00 0.00 H new ATOM 0 H5'' G A 9 -9.976 0.810 -8.048 1.00 0.00 H new ATOM 0 H4' G A 9 -7.222 -0.037 -9.003 1.00 0.00 H new ATOM 0 H3' G A 9 -8.300 2.226 -9.924 1.00 0.00 H new ATOM 0 H2' G A 9 -10.683 1.546 -9.994 1.00 0.00 H new ATOM 0 HO2' G A 9 -9.460 1.252 -12.459 1.00 0.00 H new ATOM 0 H1' G A 9 -10.327 -1.121 -11.229 1.00 0.00 H new ATOM 0 H8 G A 9 -12.687 0.798 -9.966 1.00 0.00 H new ATOM 0 H1 G A 9 -12.424 -4.236 -5.974 1.00 0.00 H new ATOM 0 H21 G A 9 -9.336 -4.834 -7.450 1.00 0.00 H new ATOM 0 H22 G A 9 -10.547 -5.335 -6.266 1.00 0.00 H new ATOM 291 P G A 10 -6.132 1.274 -11.348 1.00 0.00 P ATOM 292 OP1 G A 10 -5.663 1.646 -12.700 1.00 0.00 O ATOM 293 OP2 G A 10 -5.497 0.140 -10.635 1.00 0.00 O ATOM 294 O5' G A 10 -6.071 2.583 -10.403 1.00 0.00 O ATOM 295 C5' G A 10 -5.111 2.707 -9.371 1.00 0.00 C ATOM 296 C4' G A 10 -5.573 3.776 -8.380 1.00 0.00 C ATOM 297 O4' G A 10 -6.593 3.281 -7.516 1.00 0.00 O ATOM 298 C3' G A 10 -4.391 4.214 -7.513 1.00 0.00 C ATOM 299 O3' G A 10 -3.810 5.380 -8.053 1.00 0.00 O ATOM 300 C2' G A 10 -5.085 4.452 -6.175 1.00 0.00 C ATOM 301 O2' G A 10 -5.688 5.727 -6.081 1.00 0.00 O ATOM 302 C1' G A 10 -6.174 3.389 -6.161 1.00 0.00 C ATOM 303 N9 G A 10 -5.676 2.092 -5.661 1.00 0.00 N ATOM 304 C8 G A 10 -5.568 0.904 -6.343 1.00 0.00 C ATOM 305 N7 G A 10 -5.037 -0.062 -5.646 1.00 0.00 N ATOM 306 C5 G A 10 -4.814 0.513 -4.396 1.00 0.00 C ATOM 307 C6 G A 10 -4.270 -0.066 -3.207 1.00 0.00 C ATOM 308 O6 G A 10 -3.843 -1.208 -3.030 1.00 0.00 O ATOM 309 N1 G A 10 -4.249 0.837 -2.154 1.00 0.00 N ATOM 310 C2 G A 10 -4.680 2.136 -2.234 1.00 0.00 C ATOM 311 N2 G A 10 -4.592 2.866 -1.122 1.00 0.00 N ATOM 312 N3 G A 10 -5.173 2.690 -3.344 1.00 0.00 N ATOM 313 C4 G A 10 -5.213 1.828 -4.389 1.00 0.00 C ATOM 0 H5' G A 10 -4.142 2.977 -9.790 1.00 0.00 H new ATOM 0 H5'' G A 10 -4.983 1.752 -8.861 1.00 0.00 H new ATOM 0 H4' G A 10 -5.968 4.612 -8.957 1.00 0.00 H new ATOM 0 H3' G A 10 -3.564 3.508 -7.439 1.00 0.00 H new ATOM 0 H2' G A 10 -4.376 4.403 -5.349 1.00 0.00 H new ATOM 0 HO2' G A 10 -6.117 5.822 -5.205 1.00 0.00 H new ATOM 0 H1' G A 10 -6.989 3.664 -5.491 1.00 0.00 H new ATOM 0 H8 G A 10 -5.894 0.781 -7.365 1.00 0.00 H new ATOM 0 H1 G A 10 -3.888 0.512 -1.257 1.00 0.00 H new ATOM 0 H21 G A 10 -4.899 3.839 -1.125 1.00 0.00 H new ATOM 0 H22 G A 10 -4.218 2.452 -0.268 1.00 0.00 H new ATOM 325 P C A 11 -2.252 5.712 -7.840 1.00 0.00 P ATOM 326 OP1 C A 11 -1.954 6.982 -8.545 1.00 0.00 O ATOM 327 OP2 C A 11 -1.469 4.496 -8.166 1.00 0.00 O ATOM 328 O5' C A 11 -2.132 5.969 -6.263 1.00 0.00 O ATOM 329 C5' C A 11 -2.745 7.083 -5.661 1.00 0.00 C ATOM 330 C4' C A 11 -2.602 6.996 -4.146 1.00 0.00 C ATOM 331 O4' C A 11 -3.184 5.807 -3.639 1.00 0.00 O ATOM 332 C3' C A 11 -1.150 6.957 -3.697 1.00 0.00 C ATOM 333 O3' C A 11 -0.542 8.233 -3.708 1.00 0.00 O ATOM 334 C2' C A 11 -1.297 6.363 -2.305 1.00 0.00 C ATOM 335 O2' C A 11 -1.752 7.329 -1.381 1.00 0.00 O ATOM 336 C1' C A 11 -2.406 5.332 -2.550 1.00 0.00 C ATOM 337 N1 C A 11 -1.818 4.004 -2.856 1.00 0.00 N ATOM 338 C2 C A 11 -1.293 3.274 -1.785 1.00 0.00 C ATOM 339 O2 C A 11 -1.283 3.741 -0.644 1.00 0.00 O ATOM 340 N3 C A 11 -0.791 2.039 -2.021 1.00 0.00 N ATOM 341 C4 C A 11 -0.768 1.537 -3.256 1.00 0.00 C ATOM 342 N4 C A 11 -0.258 0.317 -3.426 1.00 0.00 N ATOM 343 C5 C A 11 -1.278 2.272 -4.370 1.00 0.00 C ATOM 344 C6 C A 11 -1.790 3.500 -4.127 1.00 0.00 C ATOM 0 H5' C A 11 -3.800 7.121 -5.934 1.00 0.00 H new ATOM 0 H5'' C A 11 -2.288 8.003 -6.026 1.00 0.00 H new ATOM 0 H4' C A 11 -3.100 7.889 -3.769 1.00 0.00 H new ATOM 0 H3' C A 11 -0.489 6.385 -4.348 1.00 0.00 H new ATOM 0 H2' C A 11 -0.368 5.969 -1.893 1.00 0.00 H new ATOM 0 HO2' C A 11 -1.586 8.227 -1.738 1.00 0.00 H new ATOM 0 H1' C A 11 -3.029 5.210 -1.664 1.00 0.00 H new ATOM 0 H41 C A 11 -0.225 -0.097 -4.358 1.00 0.00 H new ATOM 0 H42 C A 11 0.099 -0.203 -2.624 1.00 0.00 H new ATOM 0 H5 C A 11 -1.255 1.862 -5.369 1.00 0.00 H new ATOM 0 H6 C A 11 -2.180 4.088 -4.944 1.00 0.00 H new ATOM 356 P G A 12 1.032 8.393 -3.979 1.00 0.00 P ATOM 357 OP1 G A 12 1.351 9.836 -4.001 1.00 0.00 O ATOM 358 OP2 G A 12 1.374 7.553 -5.148 1.00 0.00 O ATOM 359 O5' G A 12 1.725 7.739 -2.679 1.00 0.00 O ATOM 360 C5' G A 12 1.650 8.379 -1.424 1.00 0.00 C ATOM 361 C4' G A 12 2.537 7.661 -0.416 1.00 0.00 C ATOM 362 O4' G A 12 2.029 6.372 -0.102 1.00 0.00 O ATOM 363 C3' G A 12 3.949 7.447 -0.947 1.00 0.00 C ATOM 364 O3' G A 12 4.745 8.614 -0.857 1.00 0.00 O ATOM 365 C2' G A 12 4.410 6.341 -0.009 1.00 0.00 C ATOM 366 O2' G A 12 4.766 6.878 1.247 1.00 0.00 O ATOM 367 C1' G A 12 3.133 5.525 0.178 1.00 0.00 C ATOM 368 N9 G A 12 3.117 4.364 -0.738 1.00 0.00 N ATOM 369 C8 G A 12 2.807 4.299 -2.074 1.00 0.00 C ATOM 370 N7 G A 12 2.876 3.098 -2.575 1.00 0.00 N ATOM 371 C5 G A 12 3.290 2.309 -1.506 1.00 0.00 C ATOM 372 C6 G A 12 3.580 0.913 -1.454 1.00 0.00 C ATOM 373 O6 G A 12 3.491 0.069 -2.344 1.00 0.00 O ATOM 374 N1 G A 12 4.016 0.530 -0.196 1.00 0.00 N ATOM 375 C2 G A 12 4.133 1.373 0.883 1.00 0.00 C ATOM 376 N2 G A 12 4.568 0.838 2.022 1.00 0.00 N ATOM 377 N3 G A 12 3.840 2.672 0.853 1.00 0.00 N ATOM 378 C4 G A 12 3.439 3.079 -0.377 1.00 0.00 C ATOM 0 H5' G A 12 0.618 8.386 -1.072 1.00 0.00 H new ATOM 0 H5'' G A 12 1.962 9.419 -1.518 1.00 0.00 H new ATOM 0 H4' G A 12 2.552 8.304 0.464 1.00 0.00 H new ATOM 0 H3' G A 12 4.012 7.202 -2.007 1.00 0.00 H new ATOM 0 H2' G A 12 5.267 5.787 -0.392 1.00 0.00 H new ATOM 0 HO2' G A 12 4.896 7.846 1.164 1.00 0.00 H new ATOM 0 H1' G A 12 3.081 5.148 1.200 1.00 0.00 H new ATOM 0 H8 G A 12 2.531 5.165 -2.657 1.00 0.00 H new ATOM 0 H1 G A 12 4.269 -0.449 -0.061 1.00 0.00 H new ATOM 0 H21 G A 12 4.672 1.421 2.852 1.00 0.00 H new ATOM 0 H22 G A 12 4.797 -0.155 2.064 1.00 0.00 H new ATOM 390 P C A 13 6.051 8.801 -1.777 1.00 0.00 P ATOM 391 OP1 C A 13 6.591 10.163 -1.526 1.00 0.00 O ATOM 392 OP2 C A 13 5.692 8.394 -3.156 1.00 0.00 O ATOM 393 O5' C A 13 7.109 7.741 -1.211 1.00 0.00 O ATOM 394 C5' C A 13 7.759 7.957 0.021 1.00 0.00 C ATOM 395 C4' C A 13 8.759 6.826 0.291 1.00 0.00 C ATOM 396 O4' C A 13 8.111 5.575 0.474 1.00 0.00 O ATOM 397 C3' C A 13 9.727 6.615 -0.861 1.00 0.00 C ATOM 398 O3' C A 13 10.745 7.594 -0.911 1.00 0.00 O ATOM 399 C2' C A 13 10.230 5.208 -0.544 1.00 0.00 C ATOM 400 O2' C A 13 11.195 5.223 0.494 1.00 0.00 O ATOM 401 C1' C A 13 8.969 4.545 0.009 1.00 0.00 C ATOM 402 N1 C A 13 8.275 3.766 -1.042 1.00 0.00 N ATOM 403 C2 C A 13 8.489 2.392 -1.073 1.00 0.00 C ATOM 404 O2 C A 13 9.266 1.851 -0.283 1.00 0.00 O ATOM 405 N3 C A 13 7.825 1.648 -1.997 1.00 0.00 N ATOM 406 C4 C A 13 6.992 2.221 -2.867 1.00 0.00 C ATOM 407 N4 C A 13 6.356 1.442 -3.741 1.00 0.00 N ATOM 408 C5 C A 13 6.780 3.637 -2.874 1.00 0.00 C ATOM 409 C6 C A 13 7.446 4.371 -1.952 1.00 0.00 C ATOM 0 H5' C A 13 7.025 8.005 0.825 1.00 0.00 H new ATOM 0 H5'' C A 13 8.277 8.916 0.005 1.00 0.00 H new ATOM 0 H4' C A 13 9.286 7.141 1.192 1.00 0.00 H new ATOM 0 H3' C A 13 9.287 6.711 -1.854 1.00 0.00 H new ATOM 0 H2' C A 13 10.690 4.724 -1.406 1.00 0.00 H new ATOM 0 HO2' C A 13 11.496 4.308 0.674 1.00 0.00 H new ATOM 0 H1' C A 13 9.237 3.860 0.813 1.00 0.00 H new ATOM 0 H41 C A 13 5.713 1.854 -4.418 1.00 0.00 H new ATOM 0 H42 C A 13 6.512 0.434 -3.733 1.00 0.00 H new ATOM 0 H5 C A 13 6.115 4.101 -3.587 1.00 0.00 H new ATOM 0 H6 C A 13 7.323 5.444 -1.933 1.00 0.00 H new ATOM 421 P C A 14 11.572 7.862 -2.263 1.00 0.00 P ATOM 422 OP1 C A 14 10.611 7.886 -3.386 1.00 0.00 O ATOM 423 OP2 C A 14 12.462 9.028 -2.035 1.00 0.00 O ATOM 424 O5' C A 14 12.487 6.553 -2.424 1.00 0.00 O ATOM 425 C5' C A 14 13.573 6.316 -1.552 1.00 0.00 C ATOM 426 C4' C A 14 14.214 4.964 -1.873 1.00 0.00 C ATOM 427 O4' C A 14 13.330 3.884 -1.606 1.00 0.00 O ATOM 428 C3' C A 14 14.627 4.839 -3.340 1.00 0.00 C ATOM 429 O3' C A 14 15.866 5.451 -3.628 1.00 0.00 O ATOM 430 C2' C A 14 14.706 3.319 -3.461 1.00 0.00 C ATOM 431 O2' C A 14 15.930 2.839 -2.930 1.00 0.00 O ATOM 432 C1' C A 14 13.573 2.852 -2.550 1.00 0.00 C ATOM 433 N1 C A 14 12.352 2.563 -3.336 1.00 0.00 N ATOM 434 C2 C A 14 12.056 1.233 -3.613 1.00 0.00 C ATOM 435 O2 C A 14 12.787 0.329 -3.207 1.00 0.00 O ATOM 436 N3 C A 14 10.945 0.948 -4.340 1.00 0.00 N ATOM 437 C4 C A 14 10.156 1.923 -4.788 1.00 0.00 C ATOM 438 N4 C A 14 9.086 1.597 -5.510 1.00 0.00 N ATOM 439 C5 C A 14 10.436 3.297 -4.513 1.00 0.00 C ATOM 440 C6 C A 14 11.541 3.565 -3.785 1.00 0.00 C ATOM 0 H5' C A 14 13.229 6.329 -0.518 1.00 0.00 H new ATOM 0 H5'' C A 14 14.312 7.111 -1.653 1.00 0.00 H new ATOM 0 H4' C A 14 15.094 4.916 -1.232 1.00 0.00 H new ATOM 0 H3' C A 14 13.949 5.333 -4.036 1.00 0.00 H new ATOM 0 H2' C A 14 14.638 2.974 -4.493 1.00 0.00 H new ATOM 0 HO2' C A 14 16.563 3.582 -2.844 1.00 0.00 H new ATOM 0 HO3' C A 14 16.075 5.336 -4.579 1.00 0.00 H new ATOM 0 H1' C A 14 13.853 1.930 -2.041 1.00 0.00 H new ATOM 0 H41 C A 14 8.468 2.327 -5.864 1.00 0.00 H new ATOM 0 H42 C A 14 8.885 0.617 -5.710 1.00 0.00 H new ATOM 0 H5 C A 14 9.792 4.086 -4.872 1.00 0.00 H new ATOM 0 H6 C A 14 11.788 4.591 -3.554 1.00 0.00 H new TER 453 C A 14