USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 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 13 G O2' : rot -7:sc= -3.91! USER MOD Single : A 13 G O5' : rot 38:sc= -0.375! USER MOD Single : A 14 G O2' : rot -16:sc= -0.102 USER MOD Single : A 15 C O2' : rot -6:sc= -1.08 USER MOD Single : A 16 A O2' : rot -2:sc= -5.23! USER MOD Single : A 17 C O2' : rot -17:sc= -3.11! USER MOD Single : A 18 U O2' : rot 175:sc= -6.08! USER MOD Single : A 19 G O2' : rot -20:sc= 0.187 USER MOD Single : A 19 G O3' : rot 180:sc= 0.174 USER MOD Single : B 59 C O2' : rot -13:sc= -2.03! USER MOD Single : B 59 C O5' : rot 31:sc= -3.13! USER MOD Single : B 60 A O2' : rot -14:sc= 0.182 USER MOD Single : B 61 G O2' : rot -149:sc= -1.99! USER MOD Single : B 62 U O2' : rot -13:sc= -2.24! USER MOD Single : B 63 G O2' : rot -5:sc= -0.379 USER MOD Single : B 64 U O2' : rot -5:sc= 0.124 USER MOD Single : B 65 C O2' : rot -19:sc= 0.153 USER MOD Single : B 65 C O3' : rot 180:sc= 0.176 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 4.895 -7.194 -5.405 1.00 0.00 O ATOM 2 C5' G A 13 5.227 -8.175 -6.389 1.00 0.00 C ATOM 3 C4' G A 13 4.001 -8.976 -6.818 1.00 0.00 C ATOM 4 O4' G A 13 3.694 -10.007 -5.866 1.00 0.00 O ATOM 5 C3' G A 13 2.762 -8.086 -6.887 1.00 0.00 C ATOM 6 O3' G A 13 2.531 -7.722 -8.248 1.00 0.00 O ATOM 7 C2' G A 13 1.650 -9.014 -6.444 1.00 0.00 C ATOM 8 O2' G A 13 1.182 -9.832 -7.523 1.00 0.00 O ATOM 9 C1' G A 13 2.356 -9.836 -5.384 1.00 0.00 C ATOM 10 N9 G A 13 2.344 -9.134 -4.088 1.00 0.00 N ATOM 11 C8 G A 13 3.088 -8.081 -3.670 1.00 0.00 C ATOM 12 N7 G A 13 2.870 -7.627 -2.482 1.00 0.00 N ATOM 13 C5 G A 13 1.852 -8.475 -2.037 1.00 0.00 C ATOM 14 C6 G A 13 1.165 -8.497 -0.794 1.00 0.00 C ATOM 15 O6 G A 13 1.321 -7.761 0.179 1.00 0.00 O ATOM 16 N1 G A 13 0.215 -9.508 -0.757 1.00 0.00 N ATOM 17 C2 G A 13 -0.048 -10.392 -1.784 1.00 0.00 C ATOM 18 N2 G A 13 -1.004 -11.294 -1.556 1.00 0.00 N ATOM 19 N3 G A 13 0.593 -10.379 -2.956 1.00 0.00 N ATOM 20 C4 G A 13 1.525 -9.401 -3.016 1.00 0.00 C ATOM 0 H5' G A 13 5.983 -8.851 -5.989 1.00 0.00 H new ATOM 0 H5'' G A 13 5.665 -7.685 -7.259 1.00 0.00 H new ATOM 0 H4' G A 13 4.242 -9.399 -7.793 1.00 0.00 H new ATOM 0 H3' G A 13 2.844 -7.177 -6.292 1.00 0.00 H new ATOM 0 H2' G A 13 0.756 -8.501 -6.089 1.00 0.00 H new ATOM 0 HO2' G A 13 1.603 -9.543 -8.359 1.00 0.00 H new ATOM 0 HO5' G A 13 4.227 -7.561 -4.789 1.00 0.00 H new ATOM 0 H1' G A 13 1.865 -10.795 -5.217 1.00 0.00 H new ATOM 0 H8 G A 13 3.837 -7.637 -4.309 1.00 0.00 H new ATOM 0 H1 G A 13 -0.333 -9.606 0.098 1.00 0.00 H new ATOM 0 H21 G A 13 -1.245 -11.975 -2.276 1.00 0.00 H new ATOM 0 H22 G A 13 -1.494 -11.303 -0.661 1.00 0.00 H new ATOM 33 P G A 14 1.630 -6.435 -8.598 1.00 0.00 P ATOM 34 OP1 G A 14 1.533 -6.323 -10.070 1.00 0.00 O ATOM 35 OP2 G A 14 2.126 -5.291 -7.801 1.00 0.00 O ATOM 36 O5' G A 14 0.182 -6.855 -8.028 1.00 0.00 O ATOM 37 C5' G A 14 -0.556 -7.909 -8.650 1.00 0.00 C ATOM 38 C4' G A 14 -1.994 -7.980 -8.140 1.00 0.00 C ATOM 39 O4' G A 14 -2.092 -8.662 -6.878 1.00 0.00 O ATOM 40 C3' G A 14 -2.560 -6.602 -7.862 1.00 0.00 C ATOM 41 O3' G A 14 -3.078 -6.035 -9.068 1.00 0.00 O ATOM 42 C2' G A 14 -3.717 -6.952 -6.953 1.00 0.00 C ATOM 43 O2' G A 14 -4.808 -7.522 -7.685 1.00 0.00 O ATOM 44 C1' G A 14 -3.055 -7.977 -6.048 1.00 0.00 C ATOM 45 N9 G A 14 -2.407 -7.332 -4.896 1.00 0.00 N ATOM 46 C8 G A 14 -1.165 -6.800 -4.770 1.00 0.00 C ATOM 47 N7 G A 14 -0.833 -6.335 -3.613 1.00 0.00 N ATOM 48 C5 G A 14 -1.990 -6.576 -2.868 1.00 0.00 C ATOM 49 C6 G A 14 -2.270 -6.294 -1.508 1.00 0.00 C ATOM 50 O6 G A 14 -1.535 -5.772 -0.677 1.00 0.00 O ATOM 51 N1 G A 14 -3.557 -6.698 -1.157 1.00 0.00 N ATOM 52 C2 G A 14 -4.459 -7.298 -2.006 1.00 0.00 C ATOM 53 N2 G A 14 -5.646 -7.601 -1.484 1.00 0.00 N ATOM 54 N3 G A 14 -4.201 -7.568 -3.287 1.00 0.00 N ATOM 55 C4 G A 14 -2.957 -7.184 -3.649 1.00 0.00 C ATOM 0 H5' G A 14 -0.058 -8.860 -8.462 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.561 -7.759 -9.730 1.00 0.00 H new ATOM 0 H4' G A 14 -2.536 -8.502 -8.929 1.00 0.00 H new ATOM 0 H3' G A 14 -1.840 -5.892 -7.455 1.00 0.00 H new ATOM 0 H2' G A 14 -4.160 -6.103 -6.432 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.691 -7.341 -8.641 1.00 0.00 H new ATOM 0 H1' G A 14 -3.784 -8.670 -5.628 1.00 0.00 H new ATOM 0 H8 G A 14 -0.481 -6.767 -5.605 1.00 0.00 H new ATOM 0 H1 G A 14 -3.854 -6.536 -0.195 1.00 0.00 H new ATOM 0 H21 G A 14 -6.358 -8.047 -2.062 1.00 0.00 H new ATOM 0 H22 G A 14 -5.843 -7.387 -0.506 1.00 0.00 H new ATOM 67 P C A 15 -3.150 -4.433 -9.220 1.00 0.00 P ATOM 68 OP1 C A 15 -3.841 -4.114 -10.489 1.00 0.00 O ATOM 69 OP2 C A 15 -1.805 -3.877 -8.946 1.00 0.00 O ATOM 70 O5' C A 15 -4.120 -4.036 -7.999 1.00 0.00 O ATOM 71 C5' C A 15 -5.506 -4.368 -8.054 1.00 0.00 C ATOM 72 C4' C A 15 -6.174 -4.261 -6.687 1.00 0.00 C ATOM 73 O4' C A 15 -5.528 -5.085 -5.714 1.00 0.00 O ATOM 74 C3' C A 15 -6.074 -2.872 -6.090 1.00 0.00 C ATOM 75 O3' C A 15 -7.084 -2.029 -6.649 1.00 0.00 O ATOM 76 C2' C A 15 -6.438 -3.171 -4.651 1.00 0.00 C ATOM 77 O2' C A 15 -7.849 -3.355 -4.491 1.00 0.00 O ATOM 78 C1' C A 15 -5.673 -4.470 -4.418 1.00 0.00 C ATOM 79 N1 C A 15 -4.367 -4.190 -3.783 1.00 0.00 N ATOM 80 C2 C A 15 -4.374 -3.935 -2.423 1.00 0.00 C ATOM 81 O2 C A 15 -5.437 -3.911 -1.808 1.00 0.00 O ATOM 82 N3 C A 15 -3.187 -3.698 -1.804 1.00 0.00 N ATOM 83 C4 C A 15 -2.039 -3.712 -2.491 1.00 0.00 C ATOM 84 N4 C A 15 -0.896 -3.479 -1.847 1.00 0.00 N ATOM 85 C5 C A 15 -2.025 -3.972 -3.897 1.00 0.00 C ATOM 86 C6 C A 15 -3.205 -4.200 -4.501 1.00 0.00 C ATOM 0 H5' C A 15 -5.621 -5.383 -8.435 1.00 0.00 H new ATOM 0 H5'' C A 15 -6.010 -3.705 -8.757 1.00 0.00 H new ATOM 0 H4' C A 15 -7.206 -4.553 -6.880 1.00 0.00 H new ATOM 0 H3' C A 15 -5.116 -2.376 -6.246 1.00 0.00 H new ATOM 0 H2' C A 15 -6.190 -2.373 -3.951 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.302 -3.160 -5.338 1.00 0.00 H new ATOM 0 H1' C A 15 -6.199 -5.141 -3.739 1.00 0.00 H new ATOM 0 H41 C A 15 -0.013 -3.486 -2.357 1.00 0.00 H new ATOM 0 H42 C A 15 -0.904 -3.293 -0.844 1.00 0.00 H new ATOM 0 H5 C A 15 -1.100 -3.985 -4.454 1.00 0.00 H new ATOM 0 H6 C A 15 -3.234 -4.393 -5.563 1.00 0.00 H new ATOM 98 P A A 16 -6.948 -0.426 -6.533 1.00 0.00 P ATOM 99 OP1 A A 16 -8.153 0.185 -7.137 1.00 0.00 O ATOM 100 OP2 A A 16 -5.604 -0.040 -7.016 1.00 0.00 O ATOM 101 O5' A A 16 -7.002 -0.177 -4.939 1.00 0.00 O ATOM 102 C5' A A 16 -8.233 -0.330 -4.228 1.00 0.00 C ATOM 103 C4' A A 16 -8.056 -0.159 -2.717 1.00 0.00 C ATOM 104 O4' A A 16 -7.122 -1.097 -2.173 1.00 0.00 O ATOM 105 C3' A A 16 -7.472 1.195 -2.360 1.00 0.00 C ATOM 106 O3' A A 16 -8.524 2.156 -2.268 1.00 0.00 O ATOM 107 C2' A A 16 -6.941 0.934 -0.967 1.00 0.00 C ATOM 108 O2' A A 16 -7.988 0.974 0.011 1.00 0.00 O ATOM 109 C1' A A 16 -6.372 -0.463 -1.114 1.00 0.00 C ATOM 110 N9 A A 16 -4.934 -0.409 -1.427 1.00 0.00 N ATOM 111 C8 A A 16 -4.290 -0.636 -2.589 1.00 0.00 C ATOM 112 N7 A A 16 -3.002 -0.627 -2.576 1.00 0.00 N ATOM 113 C5 A A 16 -2.745 -0.346 -1.236 1.00 0.00 C ATOM 114 C6 A A 16 -1.563 -0.187 -0.514 1.00 0.00 C ATOM 115 N6 A A 16 -0.355 -0.346 -1.065 1.00 0.00 N ATOM 116 N1 A A 16 -1.677 0.097 0.796 1.00 0.00 N ATOM 117 C2 A A 16 -2.889 0.210 1.356 1.00 0.00 C ATOM 118 N3 A A 16 -4.061 0.072 0.764 1.00 0.00 N ATOM 119 C4 A A 16 -3.919 -0.206 -0.536 1.00 0.00 C ATOM 0 H5' A A 16 -8.649 -1.316 -4.434 1.00 0.00 H new ATOM 0 H5'' A A 16 -8.954 0.402 -4.592 1.00 0.00 H new ATOM 0 H4' A A 16 -9.059 -0.295 -2.313 1.00 0.00 H new ATOM 0 H3' A A 16 -6.738 1.568 -3.074 1.00 0.00 H new ATOM 0 H2' A A 16 -6.217 1.673 -0.624 1.00 0.00 H new ATOM 0 HO2' A A 16 -8.837 1.190 -0.428 1.00 0.00 H new ATOM 0 H1' A A 16 -6.461 -1.030 -0.187 1.00 0.00 H new ATOM 0 H8 A A 16 -4.837 -0.820 -3.502 1.00 0.00 H new ATOM 0 H61 A A 16 0.484 -0.220 -0.499 1.00 0.00 H new ATOM 0 H62 A A 16 -0.273 -0.593 -2.051 1.00 0.00 H new ATOM 0 H2 A A 16 -2.910 0.440 2.411 1.00 0.00 H new ATOM 131 P C A 17 -8.175 3.727 -2.304 1.00 0.00 P ATOM 132 OP1 C A 17 -9.433 4.487 -2.123 1.00 0.00 O ATOM 133 OP2 C A 17 -7.319 3.986 -3.483 1.00 0.00 O ATOM 134 O5' C A 17 -7.279 3.910 -0.978 1.00 0.00 O ATOM 135 C5' C A 17 -7.830 3.615 0.308 1.00 0.00 C ATOM 136 C4' C A 17 -6.787 3.717 1.419 1.00 0.00 C ATOM 137 O4' C A 17 -5.749 2.748 1.291 1.00 0.00 O ATOM 138 C3' C A 17 -6.072 5.050 1.394 1.00 0.00 C ATOM 139 O3' C A 17 -6.857 5.997 2.122 1.00 0.00 O ATOM 140 C2' C A 17 -4.817 4.748 2.187 1.00 0.00 C ATOM 141 O2' C A 17 -5.048 4.857 3.597 1.00 0.00 O ATOM 142 C1' C A 17 -4.516 3.308 1.782 1.00 0.00 C ATOM 143 N1 C A 17 -3.483 3.257 0.742 1.00 0.00 N ATOM 144 C2 C A 17 -2.164 3.235 1.147 1.00 0.00 C ATOM 145 O2 C A 17 -1.891 3.291 2.344 1.00 0.00 O ATOM 146 N3 C A 17 -1.199 3.155 0.189 1.00 0.00 N ATOM 147 C4 C A 17 -1.530 3.100 -1.110 1.00 0.00 C ATOM 148 N4 C A 17 -0.571 3.000 -2.030 1.00 0.00 N ATOM 149 C5 C A 17 -2.898 3.129 -1.517 1.00 0.00 C ATOM 150 C6 C A 17 -3.827 3.207 -0.568 1.00 0.00 C ATOM 0 H5' C A 17 -8.252 2.610 0.299 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.649 4.303 0.517 1.00 0.00 H new ATOM 0 H4' C A 17 -7.357 3.569 2.336 1.00 0.00 H new ATOM 0 H3' C A 17 -5.888 5.448 0.396 1.00 0.00 H new ATOM 0 H2' C A 17 -3.998 5.439 1.985 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.874 5.360 3.755 1.00 0.00 H new ATOM 0 H1' C A 17 -4.137 2.743 2.634 1.00 0.00 H new ATOM 0 H41 C A 17 -0.816 2.958 -3.019 1.00 0.00 H new ATOM 0 H42 C A 17 0.408 2.966 -1.745 1.00 0.00 H new ATOM 0 H5 C A 17 -3.170 3.089 -2.561 1.00 0.00 H new ATOM 0 H6 C A 17 -4.870 3.231 -0.845 1.00 0.00 H new ATOM 162 P U A 18 -6.811 7.559 1.742 1.00 0.00 P ATOM 163 OP1 U A 18 -7.673 8.295 2.695 1.00 0.00 O ATOM 164 OP2 U A 18 -7.042 7.688 0.286 1.00 0.00 O ATOM 165 O5' U A 18 -5.279 7.945 2.045 1.00 0.00 O ATOM 166 C5' U A 18 -4.725 7.762 3.351 1.00 0.00 C ATOM 167 C4' U A 18 -3.238 8.092 3.372 1.00 0.00 C ATOM 168 O4' U A 18 -2.469 7.061 2.757 1.00 0.00 O ATOM 169 C3' U A 18 -2.965 9.352 2.569 1.00 0.00 C ATOM 170 O3' U A 18 -2.749 10.434 3.479 1.00 0.00 O ATOM 171 C2' U A 18 -1.667 9.098 1.827 1.00 0.00 C ATOM 172 O2' U A 18 -0.616 9.939 2.305 1.00 0.00 O ATOM 173 C1' U A 18 -1.350 7.633 2.068 1.00 0.00 C ATOM 174 N1 U A 18 -1.115 6.965 0.781 1.00 0.00 N ATOM 175 C2 U A 18 0.195 6.822 0.369 1.00 0.00 C ATOM 176 O2 U A 18 1.141 7.218 1.047 1.00 0.00 O ATOM 177 N3 U A 18 0.382 6.213 -0.855 1.00 0.00 N ATOM 178 C4 U A 18 -0.615 5.736 -1.691 1.00 0.00 C ATOM 179 O4 U A 18 -0.329 5.210 -2.765 1.00 0.00 O ATOM 180 C5 U A 18 -1.957 5.927 -1.176 1.00 0.00 C ATOM 181 C6 U A 18 -2.160 6.528 0.021 1.00 0.00 C ATOM 0 H5' U A 18 -4.876 6.731 3.671 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.251 8.397 4.064 1.00 0.00 H new ATOM 0 H4' U A 18 -2.961 8.211 4.420 1.00 0.00 H new ATOM 0 H3' U A 18 -3.789 9.591 1.896 1.00 0.00 H new ATOM 0 H2' U A 18 -1.763 9.324 0.765 1.00 0.00 H new ATOM 0 HO2' U A 18 0.226 9.691 1.868 1.00 0.00 H new ATOM 0 H1' U A 18 -0.449 7.512 2.670 1.00 0.00 H new ATOM 0 H3 U A 18 1.344 6.104 -1.174 1.00 0.00 H new ATOM 0 H5 U A 18 -2.804 5.586 -1.753 1.00 0.00 H new ATOM 0 H6 U A 18 -3.169 6.664 0.381 1.00 0.00 H new ATOM 192 P G A 19 -2.650 11.947 2.939 1.00 0.00 P ATOM 193 OP1 G A 19 -2.930 12.864 4.066 1.00 0.00 O ATOM 194 OP2 G A 19 -3.433 12.050 1.688 1.00 0.00 O ATOM 195 O5' G A 19 -1.083 12.060 2.570 1.00 0.00 O ATOM 196 C5' G A 19 -0.112 12.134 3.618 1.00 0.00 C ATOM 197 C4' G A 19 1.316 11.894 3.123 1.00 0.00 C ATOM 198 O4' G A 19 1.480 10.595 2.565 1.00 0.00 O ATOM 199 C3' G A 19 1.704 12.827 1.998 1.00 0.00 C ATOM 200 O3' G A 19 2.032 14.136 2.480 1.00 0.00 O ATOM 201 C2' G A 19 2.923 12.109 1.435 1.00 0.00 C ATOM 202 O2' G A 19 4.112 12.453 2.154 1.00 0.00 O ATOM 203 C1' G A 19 2.564 10.635 1.622 1.00 0.00 C ATOM 204 N9 G A 19 2.181 10.035 0.332 1.00 0.00 N ATOM 205 C8 G A 19 0.952 9.765 -0.155 1.00 0.00 C ATOM 206 N7 G A 19 0.871 9.205 -1.313 1.00 0.00 N ATOM 207 C5 G A 19 2.218 9.085 -1.662 1.00 0.00 C ATOM 208 C6 G A 19 2.807 8.546 -2.834 1.00 0.00 C ATOM 209 O6 G A 19 2.247 8.054 -3.810 1.00 0.00 O ATOM 210 N1 G A 19 4.191 8.621 -2.787 1.00 0.00 N ATOM 211 C2 G A 19 4.927 9.150 -1.745 1.00 0.00 C ATOM 212 N2 G A 19 6.251 9.150 -1.897 1.00 0.00 N ATOM 213 N3 G A 19 4.380 9.658 -0.635 1.00 0.00 N ATOM 214 C4 G A 19 3.029 9.594 -0.658 1.00 0.00 C ATOM 0 H5' G A 19 -0.354 11.397 4.384 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.168 13.115 4.090 1.00 0.00 H new ATOM 0 H4' G A 19 1.930 12.046 4.011 1.00 0.00 H new ATOM 0 H3' G A 19 0.913 13.006 1.270 1.00 0.00 H new ATOM 0 H2' G A 19 3.136 12.372 0.399 1.00 0.00 H new ATOM 0 HO2' G A 19 3.971 13.294 2.637 1.00 0.00 H new ATOM 0 HO3' G A 19 2.279 14.710 1.725 1.00 0.00 H new ATOM 0 H1' G A 19 3.412 10.059 1.994 1.00 0.00 H new ATOM 0 H8 G A 19 0.064 10.011 0.408 1.00 0.00 H new ATOM 0 H1 G A 19 4.707 8.256 -3.587 1.00 0.00 H new ATOM 0 H21 G A 19 6.849 9.528 -1.162 1.00 0.00 H new ATOM 0 H22 G A 19 6.667 8.772 -2.749 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.295 5.024 -8.164 1.00 0.00 O ATOM 229 C5' C B 59 9.712 4.880 -8.243 1.00 0.00 C ATOM 230 C4' C B 59 10.442 5.725 -7.192 1.00 0.00 C ATOM 231 O4' C B 59 10.057 7.112 -7.271 1.00 0.00 O ATOM 232 C3' C B 59 10.082 5.291 -5.773 1.00 0.00 C ATOM 233 O3' C B 59 11.091 4.399 -5.295 1.00 0.00 O ATOM 234 C2' C B 59 10.186 6.589 -4.998 1.00 0.00 C ATOM 235 O2' C B 59 11.548 6.928 -4.710 1.00 0.00 O ATOM 236 C1' C B 59 9.569 7.548 -5.989 1.00 0.00 C ATOM 237 N1 C B 59 8.100 7.466 -5.932 1.00 0.00 N ATOM 238 C2 C B 59 7.452 8.035 -4.847 1.00 0.00 C ATOM 239 O2 C B 59 8.096 8.616 -3.978 1.00 0.00 O ATOM 240 N3 C B 59 6.095 7.918 -4.779 1.00 0.00 N ATOM 241 C4 C B 59 5.413 7.268 -5.735 1.00 0.00 C ATOM 242 N4 C B 59 4.085 7.172 -5.645 1.00 0.00 N ATOM 243 C5 C B 59 6.091 6.684 -6.849 1.00 0.00 C ATOM 244 C6 C B 59 7.418 6.813 -6.901 1.00 0.00 C ATOM 0 H5' C B 59 10.050 5.170 -9.238 1.00 0.00 H new ATOM 0 H5'' C B 59 9.976 3.831 -8.110 1.00 0.00 H new ATOM 0 H4' C B 59 11.504 5.587 -7.397 1.00 0.00 H new ATOM 0 H3' C B 59 9.114 4.796 -5.693 1.00 0.00 H new ATOM 0 H2' C B 59 9.706 6.574 -4.019 1.00 0.00 H new ATOM 0 HO2' C B 59 12.122 6.154 -4.889 1.00 0.00 H new ATOM 0 HO5' C B 59 8.075 5.927 -7.853 1.00 0.00 H new ATOM 0 H1' C B 59 9.831 8.586 -5.784 1.00 0.00 H new ATOM 0 H41 C B 59 3.559 6.680 -6.367 1.00 0.00 H new ATOM 0 H42 C B 59 3.596 7.591 -4.854 1.00 0.00 H new ATOM 0 H5 C B 59 5.549 6.157 -7.621 1.00 0.00 H new ATOM 0 H6 C B 59 7.959 6.388 -7.733 1.00 0.00 H new ATOM 257 P A B 60 10.723 3.267 -4.211 1.00 0.00 P ATOM 258 OP1 A B 60 11.965 2.550 -3.849 1.00 0.00 O ATOM 259 OP2 A B 60 9.552 2.512 -4.711 1.00 0.00 O ATOM 260 O5' A B 60 10.255 4.140 -2.941 1.00 0.00 O ATOM 261 C5' A B 60 11.159 5.058 -2.322 1.00 0.00 C ATOM 262 C4' A B 60 10.507 5.800 -1.159 1.00 0.00 C ATOM 263 O4' A B 60 9.585 6.805 -1.610 1.00 0.00 O ATOM 264 C3' A B 60 9.670 4.865 -0.304 1.00 0.00 C ATOM 265 O3' A B 60 10.513 4.255 0.679 1.00 0.00 O ATOM 266 C2' A B 60 8.739 5.846 0.375 1.00 0.00 C ATOM 267 O2' A B 60 9.393 6.542 1.443 1.00 0.00 O ATOM 268 C1' A B 60 8.406 6.781 -0.779 1.00 0.00 C ATOM 269 N9 A B 60 7.228 6.300 -1.530 1.00 0.00 N ATOM 270 C8 A B 60 7.155 5.591 -2.687 1.00 0.00 C ATOM 271 N7 A B 60 5.979 5.287 -3.125 1.00 0.00 N ATOM 272 C5 A B 60 5.158 5.860 -2.149 1.00 0.00 C ATOM 273 C6 A B 60 3.768 5.915 -1.993 1.00 0.00 C ATOM 274 N6 A B 60 2.915 5.356 -2.855 1.00 0.00 N ATOM 275 N1 A B 60 3.292 6.567 -0.914 1.00 0.00 N ATOM 276 C2 A B 60 4.132 7.131 -0.041 1.00 0.00 C ATOM 277 N3 A B 60 5.459 7.134 -0.092 1.00 0.00 N ATOM 278 C4 A B 60 5.911 6.478 -1.178 1.00 0.00 C ATOM 0 H5' A B 60 11.509 5.778 -3.062 1.00 0.00 H new ATOM 0 H5'' A B 60 12.035 4.518 -1.963 1.00 0.00 H new ATOM 0 H4' A B 60 11.337 6.236 -0.603 1.00 0.00 H new ATOM 0 H3' A B 60 9.169 4.066 -0.850 1.00 0.00 H new ATOM 0 H2' A B 60 7.870 5.386 0.845 1.00 0.00 H new ATOM 0 HO2' A B 60 10.232 6.087 1.665 1.00 0.00 H new ATOM 0 H1' A B 60 8.148 7.779 -0.426 1.00 0.00 H new ATOM 0 H8 A B 60 8.046 5.293 -3.220 1.00 0.00 H new ATOM 0 H61 A B 60 1.910 5.425 -2.695 1.00 0.00 H new ATOM 0 H62 A B 60 3.269 4.860 -3.673 1.00 0.00 H new ATOM 0 H2 A B 60 3.682 7.640 0.798 1.00 0.00 H new ATOM 290 P G B 61 10.336 2.691 1.038 1.00 0.00 P ATOM 291 OP1 G B 61 11.527 2.255 1.802 1.00 0.00 O ATOM 292 OP2 G B 61 9.949 1.974 -0.197 1.00 0.00 O ATOM 293 O5' G B 61 9.073 2.695 2.035 1.00 0.00 O ATOM 294 C5' G B 61 9.213 3.164 3.378 1.00 0.00 C ATOM 295 C4' G B 61 7.857 3.372 4.042 1.00 0.00 C ATOM 296 O4' G B 61 7.075 4.317 3.309 1.00 0.00 O ATOM 297 C3' G B 61 7.033 2.093 4.064 1.00 0.00 C ATOM 298 O3' G B 61 7.223 1.436 5.320 1.00 0.00 O ATOM 299 C2' G B 61 5.601 2.583 4.010 1.00 0.00 C ATOM 300 O2' G B 61 5.050 2.754 5.321 1.00 0.00 O ATOM 301 C1' G B 61 5.701 3.902 3.267 1.00 0.00 C ATOM 302 N9 G B 61 5.222 3.721 1.888 1.00 0.00 N ATOM 303 C8 G B 61 5.909 3.518 0.736 1.00 0.00 C ATOM 304 N7 G B 61 5.223 3.353 -0.346 1.00 0.00 N ATOM 305 C5 G B 61 3.914 3.450 0.133 1.00 0.00 C ATOM 306 C6 G B 61 2.679 3.351 -0.559 1.00 0.00 C ATOM 307 O6 G B 61 2.489 3.158 -1.758 1.00 0.00 O ATOM 308 N1 G B 61 1.601 3.505 0.304 1.00 0.00 N ATOM 309 C2 G B 61 1.694 3.725 1.661 1.00 0.00 C ATOM 310 N2 G B 61 0.546 3.831 2.322 1.00 0.00 N ATOM 311 N3 G B 61 2.848 3.821 2.316 1.00 0.00 N ATOM 312 C4 G B 61 3.911 3.675 1.499 1.00 0.00 C ATOM 0 H5' G B 61 9.768 4.102 3.381 1.00 0.00 H new ATOM 0 H5'' G B 61 9.796 2.447 3.956 1.00 0.00 H new ATOM 0 H4' G B 61 8.073 3.714 5.054 1.00 0.00 H new ATOM 0 H3' G B 61 7.297 1.408 3.259 1.00 0.00 H new ATOM 0 H2' G B 61 4.934 1.875 3.519 1.00 0.00 H new ATOM 0 HO2' G B 61 4.085 2.585 5.295 1.00 0.00 H new ATOM 0 H1' G B 61 5.082 4.673 3.726 1.00 0.00 H new ATOM 0 H8 G B 61 6.989 3.495 0.724 1.00 0.00 H new ATOM 0 H1 G B 61 0.666 3.451 -0.099 1.00 0.00 H new ATOM 0 H21 G B 61 0.550 3.994 3.329 1.00 0.00 H new ATOM 0 H22 G B 61 -0.340 3.749 1.822 1.00 0.00 H new ATOM 324 P U B 62 6.675 -0.065 5.542 1.00 0.00 P ATOM 325 OP1 U B 62 7.388 -0.657 6.694 1.00 0.00 O ATOM 326 OP2 U B 62 6.672 -0.758 4.234 1.00 0.00 O ATOM 327 O5' U B 62 5.144 0.206 5.976 1.00 0.00 O ATOM 328 C5' U B 62 4.873 0.871 7.214 1.00 0.00 C ATOM 329 C4' U B 62 3.429 1.365 7.320 1.00 0.00 C ATOM 330 O4' U B 62 3.083 2.224 6.227 1.00 0.00 O ATOM 331 C3' U B 62 2.403 0.245 7.250 1.00 0.00 C ATOM 332 O3' U B 62 2.201 -0.309 8.551 1.00 0.00 O ATOM 333 C2' U B 62 1.165 1.028 6.874 1.00 0.00 C ATOM 334 O2' U B 62 0.652 1.776 7.983 1.00 0.00 O ATOM 335 C1' U B 62 1.736 1.933 5.803 1.00 0.00 C ATOM 336 N1 U B 62 1.728 1.246 4.506 1.00 0.00 N ATOM 337 C2 U B 62 0.531 1.173 3.818 1.00 0.00 C ATOM 338 O2 U B 62 -0.518 1.617 4.279 1.00 0.00 O ATOM 339 N3 U B 62 0.579 0.551 2.583 1.00 0.00 N ATOM 340 C4 U B 62 1.709 0.010 1.991 1.00 0.00 C ATOM 341 O4 U B 62 1.648 -0.502 0.874 1.00 0.00 O ATOM 342 C5 U B 62 2.908 0.131 2.793 1.00 0.00 C ATOM 343 C6 U B 62 2.877 0.728 4.002 1.00 0.00 C ATOM 0 H5' U B 62 5.550 1.718 7.322 1.00 0.00 H new ATOM 0 H5'' U B 62 5.080 0.190 8.040 1.00 0.00 H new ATOM 0 H4' U B 62 3.399 1.870 8.285 1.00 0.00 H new ATOM 0 H3' U B 62 2.672 -0.573 6.582 1.00 0.00 H new ATOM 0 H2' U B 62 0.319 0.420 6.555 1.00 0.00 H new ATOM 0 HO2' U B 62 1.081 1.471 8.810 1.00 0.00 H new ATOM 0 H1' U B 62 1.153 2.846 5.679 1.00 0.00 H new ATOM 0 H3 U B 62 -0.295 0.485 2.062 1.00 0.00 H new ATOM 0 H5 U B 62 3.841 -0.263 2.418 1.00 0.00 H new ATOM 0 H6 U B 62 3.786 0.795 4.582 1.00 0.00 H new ATOM 354 P G B 63 1.593 -1.793 8.703 1.00 0.00 P ATOM 355 OP1 G B 63 1.392 -2.066 10.144 1.00 0.00 O ATOM 356 OP2 G B 63 2.411 -2.715 7.885 1.00 0.00 O ATOM 357 O5' G B 63 0.143 -1.654 8.009 1.00 0.00 O ATOM 358 C5' G B 63 -0.851 -0.791 8.567 1.00 0.00 C ATOM 359 C4' G B 63 -2.181 -0.885 7.818 1.00 0.00 C ATOM 360 O4' G B 63 -2.136 -0.224 6.549 1.00 0.00 O ATOM 361 C3' G B 63 -2.541 -2.323 7.491 1.00 0.00 C ATOM 362 O3' G B 63 -3.252 -2.870 8.603 1.00 0.00 O ATOM 363 C2' G B 63 -3.503 -2.144 6.332 1.00 0.00 C ATOM 364 O2' G B 63 -4.817 -1.793 6.781 1.00 0.00 O ATOM 365 C1' G B 63 -2.851 -1.008 5.572 1.00 0.00 C ATOM 366 N9 G B 63 -1.939 -1.527 4.537 1.00 0.00 N ATOM 367 C8 G B 63 -0.592 -1.650 4.561 1.00 0.00 C ATOM 368 N7 G B 63 -0.008 -2.068 3.494 1.00 0.00 N ATOM 369 C5 G B 63 -1.091 -2.264 2.638 1.00 0.00 C ATOM 370 C6 G B 63 -1.112 -2.721 1.299 1.00 0.00 C ATOM 371 O6 G B 63 -0.162 -3.044 0.590 1.00 0.00 O ATOM 372 N1 G B 63 -2.406 -2.779 0.802 1.00 0.00 N ATOM 373 C2 G B 63 -3.546 -2.442 1.505 1.00 0.00 C ATOM 374 N2 G B 63 -4.702 -2.592 0.859 1.00 0.00 N ATOM 375 N3 G B 63 -3.534 -2.005 2.767 1.00 0.00 N ATOM 376 C4 G B 63 -2.281 -1.939 3.270 1.00 0.00 C ATOM 0 H5' G B 63 -0.493 0.238 8.541 1.00 0.00 H new ATOM 0 H5'' G B 63 -1.007 -1.048 9.615 1.00 0.00 H new ATOM 0 H4' G B 63 -2.906 -0.422 8.487 1.00 0.00 H new ATOM 0 H3' G B 63 -1.692 -2.971 7.273 1.00 0.00 H new ATOM 0 H2' G B 63 -3.655 -3.046 5.740 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.844 -1.813 7.760 1.00 0.00 H new ATOM 0 H1' G B 63 -3.594 -0.401 5.054 1.00 0.00 H new ATOM 0 H8 G B 63 -0.025 -1.405 5.447 1.00 0.00 H new ATOM 0 H1 G B 63 -2.525 -3.096 -0.160 1.00 0.00 H new ATOM 0 H21 G B 63 -5.580 -2.360 1.324 1.00 0.00 H new ATOM 0 H22 G B 63 -4.709 -2.939 -0.100 1.00 0.00 H new ATOM 388 P U B 64 -3.011 -4.395 9.046 1.00 0.00 P ATOM 389 OP1 U B 64 -3.665 -4.608 10.356 1.00 0.00 O ATOM 390 OP2 U B 64 -1.575 -4.708 8.877 1.00 0.00 O ATOM 391 O5' U B 64 -3.839 -5.203 7.931 1.00 0.00 O ATOM 392 C5' U B 64 -5.231 -4.945 7.744 1.00 0.00 C ATOM 393 C4' U B 64 -5.771 -5.672 6.520 1.00 0.00 C ATOM 394 O4' U B 64 -5.498 -4.963 5.308 1.00 0.00 O ATOM 395 C3' U B 64 -5.095 -7.017 6.348 1.00 0.00 C ATOM 396 O3' U B 64 -5.816 -7.994 7.102 1.00 0.00 O ATOM 397 C2' U B 64 -5.300 -7.287 4.873 1.00 0.00 C ATOM 398 O2' U B 64 -6.592 -7.851 4.618 1.00 0.00 O ATOM 399 C1' U B 64 -5.169 -5.901 4.267 1.00 0.00 C ATOM 400 N1 U B 64 -3.813 -5.659 3.738 1.00 0.00 N ATOM 401 C2 U B 64 -3.621 -5.870 2.386 1.00 0.00 C ATOM 402 O2 U B 64 -4.521 -6.277 1.654 1.00 0.00 O ATOM 403 N3 U B 64 -2.355 -5.603 1.900 1.00 0.00 N ATOM 404 C4 U B 64 -1.275 -5.152 2.644 1.00 0.00 C ATOM 405 O4 U B 64 -0.190 -4.943 2.109 1.00 0.00 O ATOM 406 C5 U B 64 -1.567 -4.963 4.050 1.00 0.00 C ATOM 407 C6 U B 64 -2.800 -5.215 4.545 1.00 0.00 C ATOM 0 H5' U B 64 -5.392 -3.873 7.633 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.783 -5.260 8.629 1.00 0.00 H new ATOM 0 H4' U B 64 -6.844 -5.764 6.690 1.00 0.00 H new ATOM 0 H3' U B 64 -4.053 -7.042 6.668 1.00 0.00 H new ATOM 0 H2' U B 64 -4.595 -8.010 4.461 1.00 0.00 H new ATOM 0 HO2' U B 64 -7.045 -8.028 5.469 1.00 0.00 H new ATOM 0 H1' U B 64 -5.842 -5.793 3.416 1.00 0.00 H new ATOM 0 H3 U B 64 -2.201 -5.751 0.903 1.00 0.00 H new ATOM 0 H5 U B 64 -0.788 -4.616 4.713 1.00 0.00 H new ATOM 0 H6 U B 64 -2.989 -5.063 5.597 1.00 0.00 H new ATOM 418 P C B 65 -5.025 -9.150 7.895 1.00 0.00 P ATOM 419 OP1 C B 65 -5.972 -9.811 8.820 1.00 0.00 O ATOM 420 OP2 C B 65 -3.764 -8.575 8.415 1.00 0.00 O ATOM 421 O5' C B 65 -4.659 -10.187 6.720 1.00 0.00 O ATOM 422 C5' C B 65 -5.700 -10.832 5.984 1.00 0.00 C ATOM 423 C4' C B 65 -5.154 -11.627 4.803 1.00 0.00 C ATOM 424 O4' C B 65 -4.885 -10.786 3.683 1.00 0.00 O ATOM 425 C3' C B 65 -3.834 -12.294 5.140 1.00 0.00 C ATOM 426 O3' C B 65 -4.030 -13.546 5.806 1.00 0.00 O ATOM 427 C2' C B 65 -3.226 -12.483 3.761 1.00 0.00 C ATOM 428 O2' C B 65 -3.707 -13.678 3.135 1.00 0.00 O ATOM 429 C1' C B 65 -3.696 -11.235 3.019 1.00 0.00 C ATOM 430 N1 C B 65 -2.668 -10.189 3.052 1.00 0.00 N ATOM 431 C2 C B 65 -1.824 -10.082 1.963 1.00 0.00 C ATOM 432 O2 C B 65 -1.927 -10.865 1.023 1.00 0.00 O ATOM 433 N3 C B 65 -0.890 -9.091 1.970 1.00 0.00 N ATOM 434 C4 C B 65 -0.799 -8.242 3.003 1.00 0.00 C ATOM 435 N4 C B 65 0.144 -7.299 2.993 1.00 0.00 N ATOM 436 C5 C B 65 -1.682 -8.355 4.125 1.00 0.00 C ATOM 437 C6 C B 65 -2.587 -9.342 4.106 1.00 0.00 C ATOM 0 H5' C B 65 -6.406 -10.084 5.623 1.00 0.00 H new ATOM 0 H5'' C B 65 -6.253 -11.499 6.646 1.00 0.00 H new ATOM 0 H4' C B 65 -5.923 -12.364 4.571 1.00 0.00 H new ATOM 0 H3' C B 65 -3.210 -11.719 5.824 1.00 0.00 H new ATOM 0 H2' C B 65 -2.142 -12.595 3.777 1.00 0.00 H new ATOM 0 HO2' C B 65 -4.074 -14.279 3.816 1.00 0.00 H new ATOM 0 HO3' C B 65 -3.160 -13.949 6.007 1.00 0.00 H new ATOM 0 H1' C B 65 -3.890 -11.460 1.970 1.00 0.00 H new ATOM 0 H41 C B 65 0.222 -6.648 3.774 1.00 0.00 H new ATOM 0 H42 C B 65 0.787 -7.229 2.204 1.00 0.00 H new ATOM 0 H5 C B 65 -1.620 -7.669 4.957 1.00 0.00 H new ATOM 0 H6 C B 65 -3.261 -9.464 4.941 1.00 0.00 H new TER 450 C B 65