USER MOD reduce.3.24.130724 H: found=0, std=0, add=172, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 172 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 42 G O2' : rot -4:sc= -0.385 USER MOD Single : A 42 G O5' : rot 180:sc=-0.00182 USER MOD Single : A 43 A O2' : rot -1:sc= -0.258 USER MOD Single : A 44 U O2' : rot -10:sc= -0.015 USER MOD Single : A 45 C O2' : rot -1:sc= -0.598 USER MOD Single : A 46 U O2' : rot -4:sc= -0.0904 USER MOD Single : A 47 C O2' : rot 173:sc= -0.197! USER MOD Single : A 48 U O2' : rot -109:sc= -6.4! USER MOD Single : A 49 U O2' : rot -51:sc= 0.584 USER MOD Single : A 50 G O2' : rot -7:sc= -5.08! USER MOD Single : A 51 U O2' : rot -128:sc= -4.29! USER MOD Single : A 52 A O2' : rot 1:sc= -0.614 USER MOD Single : A 53 G O2' : rot 180:sc= -0.304 USER MOD Single : A 54 A O2' : rot 1:sc= -2.02! USER MOD Single : A 55 U O2' : rot -3:sc= -0.607 USER MOD Single : A 56 C O2' : rot 0:sc= -2.57! USER MOD Single : A 57 A O2' : rot 1:sc= 0.402 USER MOD Single : A 57 A O3' : rot -177:sc= 0.275 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.718 -5.372 8.833 1.00 0.00 O ATOM 2 C5' G A 42 7.713 -4.952 9.768 1.00 0.00 C ATOM 3 C4' G A 42 8.596 -3.856 9.188 1.00 0.00 C ATOM 4 O4' G A 42 9.390 -4.352 8.112 1.00 0.00 O ATOM 5 C3' G A 42 7.836 -2.666 8.632 1.00 0.00 C ATOM 6 O3' G A 42 7.484 -1.762 9.685 1.00 0.00 O ATOM 7 C2' G A 42 8.872 -2.059 7.716 1.00 0.00 C ATOM 8 O2' G A 42 9.813 -1.258 8.440 1.00 0.00 O ATOM 9 C1' G A 42 9.527 -3.306 7.137 1.00 0.00 C ATOM 10 N9 G A 42 8.902 -3.788 5.896 1.00 0.00 N ATOM 11 C8 G A 42 7.982 -4.787 5.745 1.00 0.00 C ATOM 12 N7 G A 42 7.619 -4.990 4.509 1.00 0.00 N ATOM 13 C5 G A 42 8.355 -4.054 3.787 1.00 0.00 C ATOM 14 C6 G A 42 8.379 -3.798 2.389 1.00 0.00 C ATOM 15 O6 G A 42 7.745 -4.367 1.505 1.00 0.00 O ATOM 16 N1 G A 42 9.258 -2.765 2.073 1.00 0.00 N ATOM 17 C2 G A 42 10.020 -2.070 2.995 1.00 0.00 C ATOM 18 N2 G A 42 10.810 -1.111 2.514 1.00 0.00 N ATOM 19 N3 G A 42 9.996 -2.314 4.309 1.00 0.00 N ATOM 20 C4 G A 42 9.145 -3.314 4.630 1.00 0.00 C ATOM 0 H5' G A 42 8.329 -5.805 10.053 1.00 0.00 H new ATOM 0 H5'' G A 42 7.231 -4.590 10.676 1.00 0.00 H new ATOM 0 H4' G A 42 9.197 -3.531 10.037 1.00 0.00 H new ATOM 0 H3' G A 42 6.897 -2.915 8.138 1.00 0.00 H new ATOM 0 H2' G A 42 8.461 -1.382 6.967 1.00 0.00 H new ATOM 0 HO2' G A 42 9.548 -1.213 9.382 1.00 0.00 H new ATOM 0 HO5' G A 42 6.169 -6.077 9.235 1.00 0.00 H new ATOM 0 H1' G A 42 10.560 -3.048 6.903 1.00 0.00 H new ATOM 0 H8 G A 42 7.591 -5.357 6.575 1.00 0.00 H new ATOM 0 H1 G A 42 9.346 -2.502 1.091 1.00 0.00 H new ATOM 0 H21 G A 42 11.394 -0.566 3.148 1.00 0.00 H new ATOM 0 H22 G A 42 10.830 -0.922 1.512 1.00 0.00 H new ATOM 33 P A A 43 6.188 -0.809 9.556 1.00 0.00 P ATOM 34 OP1 A A 43 6.017 -0.089 10.838 1.00 0.00 O ATOM 35 OP2 A A 43 5.074 -1.618 9.013 1.00 0.00 O ATOM 36 O5' A A 43 6.624 0.263 8.433 1.00 0.00 O ATOM 37 C5' A A 43 7.685 1.186 8.683 1.00 0.00 C ATOM 38 C4' A A 43 8.025 2.012 7.443 1.00 0.00 C ATOM 39 O4' A A 43 8.558 1.178 6.408 1.00 0.00 O ATOM 40 C3' A A 43 6.849 2.733 6.808 1.00 0.00 C ATOM 41 O3' A A 43 6.576 3.955 7.508 1.00 0.00 O ATOM 42 C2' A A 43 7.382 3.003 5.419 1.00 0.00 C ATOM 43 O2' A A 43 8.247 4.144 5.397 1.00 0.00 O ATOM 44 C1' A A 43 8.143 1.713 5.134 1.00 0.00 C ATOM 45 N9 A A 43 7.323 0.690 4.455 1.00 0.00 N ATOM 46 C8 A A 43 6.633 -0.365 4.996 1.00 0.00 C ATOM 47 N7 A A 43 5.985 -1.080 4.118 1.00 0.00 N ATOM 48 C5 A A 43 6.263 -0.453 2.909 1.00 0.00 C ATOM 49 C6 A A 43 5.870 -0.719 1.588 1.00 0.00 C ATOM 50 N6 A A 43 5.080 -1.741 1.245 1.00 0.00 N ATOM 51 N1 A A 43 6.325 0.109 0.636 1.00 0.00 N ATOM 52 C2 A A 43 7.115 1.120 0.974 1.00 0.00 C ATOM 53 N3 A A 43 7.554 1.471 2.170 1.00 0.00 N ATOM 54 C4 A A 43 7.079 0.627 3.107 1.00 0.00 C ATOM 0 H5' A A 43 8.571 0.641 9.011 1.00 0.00 H new ATOM 0 H5'' A A 43 7.402 1.853 9.497 1.00 0.00 H new ATOM 0 H4' A A 43 8.735 2.749 7.818 1.00 0.00 H new ATOM 0 H3' A A 43 5.912 2.177 6.820 1.00 0.00 H new ATOM 0 H2' A A 43 6.612 3.237 4.684 1.00 0.00 H new ATOM 0 HO2' A A 43 8.297 4.534 6.295 1.00 0.00 H new ATOM 0 H1' A A 43 8.976 1.949 4.472 1.00 0.00 H new ATOM 0 H8 A A 43 6.627 -0.584 6.054 1.00 0.00 H new ATOM 0 H61 A A 43 4.828 -1.885 0.267 1.00 0.00 H new ATOM 0 H62 A A 43 4.730 -2.377 1.961 1.00 0.00 H new ATOM 0 H2 A A 43 7.446 1.744 0.157 1.00 0.00 H new ATOM 66 P U A 44 5.091 4.592 7.509 1.00 0.00 P ATOM 67 OP1 U A 44 5.088 5.751 8.429 1.00 0.00 O ATOM 68 OP2 U A 44 4.119 3.494 7.707 1.00 0.00 O ATOM 69 O5' U A 44 4.921 5.147 6.003 1.00 0.00 O ATOM 70 C5' U A 44 5.739 6.226 5.544 1.00 0.00 C ATOM 71 C4' U A 44 5.541 6.521 4.055 1.00 0.00 C ATOM 72 O4' U A 44 5.988 5.417 3.267 1.00 0.00 O ATOM 73 C3' U A 44 4.107 6.755 3.619 1.00 0.00 C ATOM 74 O3' U A 44 3.699 8.101 3.904 1.00 0.00 O ATOM 75 C2' U A 44 4.235 6.540 2.124 1.00 0.00 C ATOM 76 O2' U A 44 4.790 7.689 1.471 1.00 0.00 O ATOM 77 C1' U A 44 5.185 5.352 2.070 1.00 0.00 C ATOM 78 N1 U A 44 4.484 4.056 2.063 1.00 0.00 N ATOM 79 C2 U A 44 4.053 3.577 0.844 1.00 0.00 C ATOM 80 O2 U A 44 4.269 4.175 -0.208 1.00 0.00 O ATOM 81 N3 U A 44 3.364 2.381 0.872 1.00 0.00 N ATOM 82 C4 U A 44 3.072 1.632 1.994 1.00 0.00 C ATOM 83 O4 U A 44 2.453 0.575 1.894 1.00 0.00 O ATOM 84 C5 U A 44 3.556 2.208 3.227 1.00 0.00 C ATOM 85 C6 U A 44 4.233 3.381 3.226 1.00 0.00 C ATOM 0 H5' U A 44 6.786 5.987 5.727 1.00 0.00 H new ATOM 0 H5'' U A 44 5.511 7.122 6.122 1.00 0.00 H new ATOM 0 H4' U A 44 6.110 7.439 3.904 1.00 0.00 H new ATOM 0 H3' U A 44 3.371 6.121 4.113 1.00 0.00 H new ATOM 0 H2' U A 44 3.285 6.373 1.616 1.00 0.00 H new ATOM 0 HO2' U A 44 4.822 8.439 2.100 1.00 0.00 H new ATOM 0 H1' U A 44 5.766 5.410 1.150 1.00 0.00 H new ATOM 0 H3 U A 44 3.039 2.015 -0.023 1.00 0.00 H new ATOM 0 H5 U A 44 3.376 1.697 4.161 1.00 0.00 H new ATOM 0 H6 U A 44 4.582 3.792 4.162 1.00 0.00 H new ATOM 96 P C A 45 2.143 8.441 4.178 1.00 0.00 P ATOM 97 OP1 C A 45 2.048 9.864 4.574 1.00 0.00 O ATOM 98 OP2 C A 45 1.594 7.394 5.068 1.00 0.00 O ATOM 99 O5' C A 45 1.458 8.278 2.727 1.00 0.00 O ATOM 100 C5' C A 45 1.794 9.172 1.665 1.00 0.00 C ATOM 101 C4' C A 45 1.163 8.756 0.335 1.00 0.00 C ATOM 102 O4' C A 45 1.707 7.514 -0.108 1.00 0.00 O ATOM 103 C3' C A 45 -0.340 8.538 0.357 1.00 0.00 C ATOM 104 O3' C A 45 -1.039 9.783 0.252 1.00 0.00 O ATOM 105 C2' C A 45 -0.534 7.714 -0.896 1.00 0.00 C ATOM 106 O2' C A 45 -0.563 8.536 -2.069 1.00 0.00 O ATOM 107 C1' C A 45 0.699 6.819 -0.869 1.00 0.00 C ATOM 108 N1 C A 45 0.454 5.518 -0.219 1.00 0.00 N ATOM 109 C2 C A 45 -0.103 4.518 -0.994 1.00 0.00 C ATOM 110 O2 C A 45 -0.374 4.739 -2.174 1.00 0.00 O ATOM 111 N3 C A 45 -0.338 3.307 -0.414 1.00 0.00 N ATOM 112 C4 C A 45 -0.032 3.089 0.871 1.00 0.00 C ATOM 113 N4 C A 45 -0.266 1.890 1.406 1.00 0.00 N ATOM 114 C5 C A 45 0.542 4.124 1.675 1.00 0.00 C ATOM 115 C6 C A 45 0.760 5.318 1.093 1.00 0.00 C ATOM 0 H5' C A 45 2.878 9.210 1.554 1.00 0.00 H new ATOM 0 H5'' C A 45 1.464 10.179 1.922 1.00 0.00 H new ATOM 0 H4' C A 45 1.386 9.600 -0.317 1.00 0.00 H new ATOM 0 H3' C A 45 -0.711 8.072 1.270 1.00 0.00 H new ATOM 0 H2' C A 45 -1.477 7.168 -0.924 1.00 0.00 H new ATOM 0 HO2' C A 45 -0.474 9.477 -1.811 1.00 0.00 H new ATOM 0 H1' C A 45 0.998 6.616 -1.898 1.00 0.00 H new ATOM 0 H41 C A 45 -0.036 1.714 2.384 1.00 0.00 H new ATOM 0 H42 C A 45 -0.675 1.149 0.837 1.00 0.00 H new ATOM 0 H5 C A 45 0.791 3.953 2.712 1.00 0.00 H new ATOM 0 H6 C A 45 1.182 6.126 1.672 1.00 0.00 H new ATOM 127 P U A 46 -2.525 9.938 0.863 1.00 0.00 P ATOM 128 OP1 U A 46 -2.932 11.355 0.733 1.00 0.00 O ATOM 129 OP2 U A 46 -2.549 9.285 2.191 1.00 0.00 O ATOM 130 O5' U A 46 -3.431 9.059 -0.145 1.00 0.00 O ATOM 131 C5' U A 46 -3.588 9.468 -1.506 1.00 0.00 C ATOM 132 C4' U A 46 -4.423 8.482 -2.329 1.00 0.00 C ATOM 133 O4' U A 46 -3.743 7.232 -2.459 1.00 0.00 O ATOM 134 C3' U A 46 -5.779 8.135 -1.744 1.00 0.00 C ATOM 135 O3' U A 46 -6.728 9.166 -2.054 1.00 0.00 O ATOM 136 C2' U A 46 -6.094 6.852 -2.491 1.00 0.00 C ATOM 137 O2' U A 46 -6.603 7.117 -3.804 1.00 0.00 O ATOM 138 C1' U A 46 -4.725 6.178 -2.544 1.00 0.00 C ATOM 139 N1 U A 46 -4.489 5.251 -1.419 1.00 0.00 N ATOM 140 C2 U A 46 -4.967 3.959 -1.540 1.00 0.00 C ATOM 141 O2 U A 46 -5.550 3.565 -2.545 1.00 0.00 O ATOM 142 N3 U A 46 -4.750 3.130 -0.458 1.00 0.00 N ATOM 143 C4 U A 46 -4.106 3.470 0.716 1.00 0.00 C ATOM 144 O4 U A 46 -3.967 2.644 1.612 1.00 0.00 O ATOM 145 C5 U A 46 -3.642 4.837 0.759 1.00 0.00 C ATOM 146 C6 U A 46 -3.845 5.671 -0.288 1.00 0.00 C ATOM 0 H5' U A 46 -2.605 9.575 -1.964 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.061 10.449 -1.533 1.00 0.00 H new ATOM 0 H4' U A 46 -4.567 9.005 -3.275 1.00 0.00 H new ATOM 0 H3' U A 46 -5.804 8.034 -0.659 1.00 0.00 H new ATOM 0 H2' U A 46 -6.866 6.245 -2.018 1.00 0.00 H new ATOM 0 HO2' U A 46 -6.703 8.084 -3.927 1.00 0.00 H new ATOM 0 H1' U A 46 -4.665 5.594 -3.462 1.00 0.00 H new ATOM 0 H3 U A 46 -5.099 2.174 -0.532 1.00 0.00 H new ATOM 0 H5 U A 46 -3.127 5.198 1.637 1.00 0.00 H new ATOM 0 H6 U A 46 -3.491 6.690 -0.229 1.00 0.00 H new ATOM 157 P C A 47 -7.997 9.438 -1.089 1.00 0.00 P ATOM 158 OP1 C A 47 -8.685 10.657 -1.570 1.00 0.00 O ATOM 159 OP2 C A 47 -7.530 9.365 0.313 1.00 0.00 O ATOM 160 O5' C A 47 -8.967 8.178 -1.359 1.00 0.00 O ATOM 161 C5' C A 47 -9.577 8.018 -2.643 1.00 0.00 C ATOM 162 C4' C A 47 -10.342 6.701 -2.773 1.00 0.00 C ATOM 163 O4' C A 47 -9.450 5.602 -2.733 1.00 0.00 O ATOM 164 C3' C A 47 -11.367 6.423 -1.695 1.00 0.00 C ATOM 165 O3' C A 47 -12.583 7.125 -1.988 1.00 0.00 O ATOM 166 C2' C A 47 -11.550 4.922 -1.817 1.00 0.00 C ATOM 167 O2' C A 47 -12.513 4.591 -2.823 1.00 0.00 O ATOM 168 C1' C A 47 -10.142 4.453 -2.210 1.00 0.00 C ATOM 169 N1 C A 47 -9.346 3.969 -1.076 1.00 0.00 N ATOM 170 C2 C A 47 -9.482 2.645 -0.711 1.00 0.00 C ATOM 171 O2 C A 47 -10.251 1.917 -1.335 1.00 0.00 O ATOM 172 N3 C A 47 -8.745 2.189 0.343 1.00 0.00 N ATOM 173 C4 C A 47 -7.914 3.011 1.004 1.00 0.00 C ATOM 174 N4 C A 47 -7.197 2.542 2.022 1.00 0.00 N ATOM 175 C5 C A 47 -7.785 4.384 0.628 1.00 0.00 C ATOM 176 C6 C A 47 -8.520 4.816 -0.410 1.00 0.00 C ATOM 0 H5' C A 47 -8.808 8.064 -3.414 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.259 8.849 -2.823 1.00 0.00 H new ATOM 0 H4' C A 47 -10.864 6.814 -3.723 1.00 0.00 H new ATOM 0 H3' C A 47 -11.075 6.741 -0.694 1.00 0.00 H new ATOM 0 H2' C A 47 -11.928 4.454 -0.908 1.00 0.00 H new ATOM 0 HO2' C A 47 -12.522 3.621 -2.960 1.00 0.00 H new ATOM 0 H1' C A 47 -10.255 3.631 -2.917 1.00 0.00 H new ATOM 0 H41 C A 47 -6.564 3.161 2.528 1.00 0.00 H new ATOM 0 H42 C A 47 -7.280 1.563 2.296 1.00 0.00 H new ATOM 0 H5 C A 47 -7.121 5.050 1.159 1.00 0.00 H new ATOM 0 H6 C A 47 -8.453 5.849 -0.718 1.00 0.00 H new ATOM 188 P U A 48 -13.597 7.532 -0.803 1.00 0.00 P ATOM 189 OP1 U A 48 -14.639 8.414 -1.372 1.00 0.00 O ATOM 190 OP2 U A 48 -12.794 7.992 0.352 1.00 0.00 O ATOM 191 O5' U A 48 -14.288 6.129 -0.407 1.00 0.00 O ATOM 192 C5' U A 48 -15.714 6.065 -0.267 1.00 0.00 C ATOM 193 C4' U A 48 -16.224 4.647 -0.021 1.00 0.00 C ATOM 194 O4' U A 48 -16.093 3.864 -1.219 1.00 0.00 O ATOM 195 C3' U A 48 -15.487 3.904 1.103 1.00 0.00 C ATOM 196 O3' U A 48 -16.439 3.141 1.864 1.00 0.00 O ATOM 197 C2' U A 48 -14.602 2.954 0.303 1.00 0.00 C ATOM 198 O2' U A 48 -14.233 1.794 1.050 1.00 0.00 O ATOM 199 C1' U A 48 -15.533 2.616 -0.846 1.00 0.00 C ATOM 200 N1 U A 48 -14.941 1.969 -2.059 1.00 0.00 N ATOM 201 C2 U A 48 -15.771 1.110 -2.766 1.00 0.00 C ATOM 202 O2 U A 48 -16.925 0.884 -2.411 1.00 0.00 O ATOM 203 N3 U A 48 -15.230 0.521 -3.893 1.00 0.00 N ATOM 204 C4 U A 48 -13.949 0.707 -4.377 1.00 0.00 C ATOM 205 O4 U A 48 -13.573 0.128 -5.394 1.00 0.00 O ATOM 206 C5 U A 48 -13.150 1.612 -3.587 1.00 0.00 C ATOM 207 C6 U A 48 -13.653 2.204 -2.477 1.00 0.00 C ATOM 0 H5' U A 48 -16.181 6.462 -1.168 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.022 6.705 0.560 1.00 0.00 H new ATOM 0 H4' U A 48 -17.265 4.762 0.281 1.00 0.00 H new ATOM 0 H3' U A 48 -14.949 4.546 1.800 1.00 0.00 H new ATOM 0 H2' U A 48 -13.642 3.377 0.005 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.282 1.842 1.280 1.00 0.00 H new ATOM 0 H1' U A 48 -16.228 1.857 -0.488 1.00 0.00 H new ATOM 0 H3 U A 48 -15.834 -0.112 -4.418 1.00 0.00 H new ATOM 0 H5 U A 48 -12.133 1.821 -3.886 1.00 0.00 H new ATOM 0 H6 U A 48 -13.028 2.876 -1.908 1.00 0.00 H new ATOM 218 P U A 49 -16.277 2.853 3.453 1.00 0.00 P ATOM 219 OP1 U A 49 -17.502 2.165 3.918 1.00 0.00 O ATOM 220 OP2 U A 49 -15.856 4.114 4.104 1.00 0.00 O ATOM 221 O5' U A 49 -15.054 1.811 3.553 1.00 0.00 O ATOM 222 C5' U A 49 -15.151 0.512 2.975 1.00 0.00 C ATOM 223 C4' U A 49 -13.851 -0.275 3.137 1.00 0.00 C ATOM 224 O4' U A 49 -12.819 0.419 2.416 1.00 0.00 O ATOM 225 C3' U A 49 -13.356 -0.420 4.579 1.00 0.00 C ATOM 226 O3' U A 49 -12.833 -1.741 4.732 1.00 0.00 O ATOM 227 C2' U A 49 -12.225 0.578 4.716 1.00 0.00 C ATOM 228 O2' U A 49 -11.195 0.086 5.581 1.00 0.00 O ATOM 229 C1' U A 49 -11.723 0.736 3.293 1.00 0.00 C ATOM 230 N1 U A 49 -11.262 2.110 3.001 1.00 0.00 N ATOM 231 C2 U A 49 -9.950 2.420 3.311 1.00 0.00 C ATOM 232 O2 U A 49 -9.173 1.585 3.769 1.00 0.00 O ATOM 233 N3 U A 49 -9.561 3.726 3.076 1.00 0.00 N ATOM 234 C4 U A 49 -10.358 4.735 2.563 1.00 0.00 C ATOM 235 O4 U A 49 -9.905 5.865 2.391 1.00 0.00 O ATOM 236 C5 U A 49 -11.711 4.323 2.270 1.00 0.00 C ATOM 237 C6 U A 49 -12.115 3.050 2.496 1.00 0.00 C ATOM 0 H5' U A 49 -15.393 0.602 1.916 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.969 -0.035 3.444 1.00 0.00 H new ATOM 0 H4' U A 49 -14.063 -1.278 2.766 1.00 0.00 H new ATOM 0 H3' U A 49 -14.140 -0.250 5.317 1.00 0.00 H new ATOM 0 H2' U A 49 -12.543 1.521 5.161 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.592 -0.212 6.426 1.00 0.00 H new ATOM 0 H1' U A 49 -10.869 0.074 3.150 1.00 0.00 H new ATOM 0 H3 U A 49 -8.596 3.969 3.302 1.00 0.00 H new ATOM 0 H5 U A 49 -12.410 5.040 1.865 1.00 0.00 H new ATOM 0 H6 U A 49 -13.134 2.772 2.272 1.00 0.00 H new ATOM 248 P G A 50 -12.762 -2.478 6.161 1.00 0.00 P ATOM 249 OP1 G A 50 -14.127 -2.529 6.731 1.00 0.00 O ATOM 250 OP2 G A 50 -11.651 -1.886 6.939 1.00 0.00 O ATOM 251 O5' G A 50 -12.338 -3.966 5.717 1.00 0.00 O ATOM 252 C5' G A 50 -13.257 -4.779 4.982 1.00 0.00 C ATOM 253 C4' G A 50 -12.563 -5.566 3.883 1.00 0.00 C ATOM 254 O4' G A 50 -12.103 -4.697 2.854 1.00 0.00 O ATOM 255 C3' G A 50 -11.354 -6.356 4.320 1.00 0.00 C ATOM 256 O3' G A 50 -11.737 -7.625 4.826 1.00 0.00 O ATOM 257 C2' G A 50 -10.559 -6.497 3.049 1.00 0.00 C ATOM 258 O2' G A 50 -11.043 -7.577 2.243 1.00 0.00 O ATOM 259 C1' G A 50 -10.815 -5.150 2.393 1.00 0.00 C ATOM 260 N9 G A 50 -9.846 -4.099 2.749 1.00 0.00 N ATOM 261 C8 G A 50 -8.942 -4.063 3.778 1.00 0.00 C ATOM 262 N7 G A 50 -8.217 -2.982 3.807 1.00 0.00 N ATOM 263 C5 G A 50 -8.671 -2.249 2.717 1.00 0.00 C ATOM 264 C6 G A 50 -8.261 -0.977 2.247 1.00 0.00 C ATOM 265 O6 G A 50 -7.383 -0.250 2.703 1.00 0.00 O ATOM 266 N1 G A 50 -8.987 -0.592 1.123 1.00 0.00 N ATOM 267 C2 G A 50 -9.976 -1.350 0.524 1.00 0.00 C ATOM 268 N2 G A 50 -10.563 -0.831 -0.552 1.00 0.00 N ATOM 269 N3 G A 50 -10.355 -2.548 0.968 1.00 0.00 N ATOM 270 C4 G A 50 -9.665 -2.929 2.063 1.00 0.00 C ATOM 0 H5' G A 50 -14.030 -4.148 4.544 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.756 -5.469 5.663 1.00 0.00 H new ATOM 0 H4' G A 50 -13.332 -6.263 3.549 1.00 0.00 H new ATOM 0 H3' G A 50 -10.793 -5.876 5.122 1.00 0.00 H new ATOM 0 H2' G A 50 -9.505 -6.727 3.202 1.00 0.00 H new ATOM 0 HO2' G A 50 -11.723 -8.077 2.741 1.00 0.00 H new ATOM 0 H1' G A 50 -10.742 -5.303 1.316 1.00 0.00 H new ATOM 0 H8 G A 50 -8.840 -4.860 4.500 1.00 0.00 H new ATOM 0 H1 G A 50 -8.773 0.316 0.711 1.00 0.00 H new ATOM 0 H21 G A 50 -11.299 -1.350 -1.032 1.00 0.00 H new ATOM 0 H22 G A 50 -10.277 0.085 -0.897 1.00 0.00 H new ATOM 282 P U A 51 -10.615 -8.541 5.497 1.00 0.00 P ATOM 283 OP1 U A 51 -11.268 -9.724 6.101 1.00 0.00 O ATOM 284 OP2 U A 51 -9.724 -7.682 6.307 1.00 0.00 O ATOM 285 O5' U A 51 -9.820 -9.009 4.177 1.00 0.00 O ATOM 286 C5' U A 51 -8.491 -9.507 4.250 1.00 0.00 C ATOM 287 C4' U A 51 -8.042 -10.077 2.909 1.00 0.00 C ATOM 288 O4' U A 51 -8.857 -11.207 2.587 1.00 0.00 O ATOM 289 C3' U A 51 -8.129 -9.111 1.730 1.00 0.00 C ATOM 290 O3' U A 51 -7.006 -9.368 0.888 1.00 0.00 O ATOM 291 C2' U A 51 -9.414 -9.477 1.010 1.00 0.00 C ATOM 292 O2' U A 51 -9.250 -9.387 -0.410 1.00 0.00 O ATOM 293 C1' U A 51 -9.673 -10.919 1.442 1.00 0.00 C ATOM 294 N1 U A 51 -11.083 -11.216 1.810 1.00 0.00 N ATOM 295 C2 U A 51 -11.675 -12.334 1.240 1.00 0.00 C ATOM 296 O2 U A 51 -11.073 -13.057 0.449 1.00 0.00 O ATOM 297 N3 U A 51 -12.981 -12.591 1.611 1.00 0.00 N ATOM 298 C4 U A 51 -13.743 -11.843 2.490 1.00 0.00 C ATOM 299 O4 U A 51 -14.901 -12.165 2.746 1.00 0.00 O ATOM 300 C5 U A 51 -13.052 -10.699 3.041 1.00 0.00 C ATOM 301 C6 U A 51 -11.771 -10.423 2.696 1.00 0.00 C ATOM 0 H5' U A 51 -8.431 -10.281 5.015 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.816 -8.706 4.552 1.00 0.00 H new ATOM 0 H4' U A 51 -6.989 -10.324 3.044 1.00 0.00 H new ATOM 0 H3' U A 51 -8.126 -8.061 2.021 1.00 0.00 H new ATOM 0 H2' U A 51 -10.240 -8.809 1.254 1.00 0.00 H new ATOM 0 HO2' U A 51 -9.964 -8.832 -0.787 1.00 0.00 H new ATOM 0 H1' U A 51 -9.435 -11.537 0.576 1.00 0.00 H new ATOM 0 H3 U A 51 -13.425 -13.410 1.197 1.00 0.00 H new ATOM 0 H5 U A 51 -13.565 -10.054 3.739 1.00 0.00 H new ATOM 0 H6 U A 51 -11.281 -9.562 3.126 1.00 0.00 H new ATOM 312 P A A 52 -5.799 -8.324 0.696 1.00 0.00 P ATOM 313 OP1 A A 52 -4.720 -9.000 -0.057 1.00 0.00 O ATOM 314 OP2 A A 52 -5.507 -7.711 2.011 1.00 0.00 O ATOM 315 O5' A A 52 -6.437 -7.195 -0.251 1.00 0.00 O ATOM 316 C5' A A 52 -7.409 -7.546 -1.233 1.00 0.00 C ATOM 317 C4' A A 52 -7.681 -6.390 -2.182 1.00 0.00 C ATOM 318 O4' A A 52 -8.269 -5.266 -1.514 1.00 0.00 O ATOM 319 C3' A A 52 -6.416 -5.865 -2.829 1.00 0.00 C ATOM 320 O3' A A 52 -6.080 -6.694 -3.947 1.00 0.00 O ATOM 321 C2' A A 52 -6.843 -4.483 -3.271 1.00 0.00 C ATOM 322 O2' A A 52 -7.581 -4.526 -4.497 1.00 0.00 O ATOM 323 C1' A A 52 -7.725 -4.061 -2.100 1.00 0.00 C ATOM 324 N9 A A 52 -7.002 -3.345 -1.038 1.00 0.00 N ATOM 325 C8 A A 52 -6.588 -3.810 0.184 1.00 0.00 C ATOM 326 N7 A A 52 -6.002 -2.904 0.919 1.00 0.00 N ATOM 327 C5 A A 52 -6.030 -1.761 0.123 1.00 0.00 C ATOM 328 C6 A A 52 -5.563 -0.452 0.323 1.00 0.00 C ATOM 329 N6 A A 52 -4.956 -0.058 1.438 1.00 0.00 N ATOM 330 N1 A A 52 -5.749 0.429 -0.673 1.00 0.00 N ATOM 331 C2 A A 52 -6.359 0.031 -1.784 1.00 0.00 C ATOM 332 N3 A A 52 -6.844 -1.162 -2.087 1.00 0.00 N ATOM 333 C4 A A 52 -6.640 -2.023 -1.069 1.00 0.00 C ATOM 0 H5' A A 52 -8.336 -7.840 -0.741 1.00 0.00 H new ATOM 0 H5'' A A 52 -7.061 -8.410 -1.800 1.00 0.00 H new ATOM 0 H4' A A 52 -8.359 -6.806 -2.927 1.00 0.00 H new ATOM 0 H3' A A 52 -5.536 -5.853 -2.185 1.00 0.00 H new ATOM 0 H2' A A 52 -6.016 -3.803 -3.478 1.00 0.00 H new ATOM 0 HO2' A A 52 -7.673 -5.456 -4.791 1.00 0.00 H new ATOM 0 H1' A A 52 -8.482 -3.381 -2.492 1.00 0.00 H new ATOM 0 H8 A A 52 -6.733 -4.830 0.508 1.00 0.00 H new ATOM 0 H61 A A 52 -4.636 0.906 1.531 1.00 0.00 H new ATOM 0 H62 A A 52 -4.810 -0.720 2.200 1.00 0.00 H new ATOM 0 H2 A A 52 -6.475 0.787 -2.546 1.00 0.00 H new ATOM 345 P G A 53 -4.555 -6.856 -4.436 1.00 0.00 P ATOM 346 OP1 G A 53 -4.521 -7.855 -5.527 1.00 0.00 O ATOM 347 OP2 G A 53 -3.701 -7.038 -3.240 1.00 0.00 O ATOM 348 O5' G A 53 -4.239 -5.415 -5.064 1.00 0.00 O ATOM 349 C5' G A 53 -4.932 -4.971 -6.228 1.00 0.00 C ATOM 350 C4' G A 53 -4.586 -3.526 -6.551 1.00 0.00 C ATOM 351 O4' G A 53 -5.044 -2.664 -5.507 1.00 0.00 O ATOM 352 C3' G A 53 -3.102 -3.249 -6.670 1.00 0.00 C ATOM 353 O3' G A 53 -2.623 -3.628 -7.965 1.00 0.00 O ATOM 354 C2' G A 53 -3.089 -1.740 -6.510 1.00 0.00 C ATOM 355 O2' G A 53 -3.486 -1.081 -7.719 1.00 0.00 O ATOM 356 C1' G A 53 -4.130 -1.558 -5.407 1.00 0.00 C ATOM 357 N9 G A 53 -3.541 -1.556 -4.057 1.00 0.00 N ATOM 358 C8 G A 53 -3.388 -2.593 -3.173 1.00 0.00 C ATOM 359 N7 G A 53 -2.769 -2.261 -2.074 1.00 0.00 N ATOM 360 C5 G A 53 -2.492 -0.907 -2.241 1.00 0.00 C ATOM 361 C6 G A 53 -1.828 0.003 -1.374 1.00 0.00 C ATOM 362 O6 G A 53 -1.351 -0.218 -0.261 1.00 0.00 O ATOM 363 N1 G A 53 -1.757 1.278 -1.932 1.00 0.00 N ATOM 364 C2 G A 53 -2.268 1.628 -3.170 1.00 0.00 C ATOM 365 N2 G A 53 -2.115 2.897 -3.548 1.00 0.00 N ATOM 366 N3 G A 53 -2.890 0.770 -3.978 1.00 0.00 N ATOM 367 C4 G A 53 -2.964 -0.471 -3.452 1.00 0.00 C ATOM 0 H5' G A 53 -6.007 -5.065 -6.074 1.00 0.00 H new ATOM 0 H5'' G A 53 -4.674 -5.608 -7.074 1.00 0.00 H new ATOM 0 H4' G A 53 -5.066 -3.343 -7.512 1.00 0.00 H new ATOM 0 H3' G A 53 -2.474 -3.788 -5.960 1.00 0.00 H new ATOM 0 H2' G A 53 -2.110 -1.319 -6.280 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.469 -0.111 -7.583 1.00 0.00 H new ATOM 0 H1' G A 53 -4.616 -0.592 -5.543 1.00 0.00 H new ATOM 0 H8 G A 53 -3.747 -3.593 -3.369 1.00 0.00 H new ATOM 0 H1 G A 53 -1.295 2.007 -1.388 1.00 0.00 H new ATOM 0 H21 G A 53 -2.473 3.207 -4.451 1.00 0.00 H new ATOM 0 H22 G A 53 -1.640 3.558 -2.934 1.00 0.00 H new ATOM 379 P A A 54 -1.092 -4.092 -8.169 1.00 0.00 P ATOM 380 OP1 A A 54 -0.922 -4.521 -9.576 1.00 0.00 O ATOM 381 OP2 A A 54 -0.737 -5.016 -7.068 1.00 0.00 O ATOM 382 O5' A A 54 -0.278 -2.723 -7.959 1.00 0.00 O ATOM 383 C5' A A 54 -0.440 -1.645 -8.873 1.00 0.00 C ATOM 384 C4' A A 54 0.283 -0.391 -8.395 1.00 0.00 C ATOM 385 O4' A A 54 -0.297 0.094 -7.181 1.00 0.00 O ATOM 386 C3' A A 54 1.755 -0.563 -8.074 1.00 0.00 C ATOM 387 O3' A A 54 2.541 -0.507 -9.263 1.00 0.00 O ATOM 388 C2' A A 54 2.015 0.668 -7.238 1.00 0.00 C ATOM 389 O2' A A 54 2.215 1.826 -8.056 1.00 0.00 O ATOM 390 C1' A A 54 0.734 0.770 -6.432 1.00 0.00 C ATOM 391 N9 A A 54 0.835 0.145 -5.102 1.00 0.00 N ATOM 392 C8 A A 54 0.394 -1.084 -4.682 1.00 0.00 C ATOM 393 N7 A A 54 0.634 -1.328 -3.423 1.00 0.00 N ATOM 394 C5 A A 54 1.288 -0.181 -2.983 1.00 0.00 C ATOM 395 C6 A A 54 1.814 0.194 -1.738 1.00 0.00 C ATOM 396 N6 A A 54 1.756 -0.582 -0.657 1.00 0.00 N ATOM 397 N1 A A 54 2.399 1.400 -1.656 1.00 0.00 N ATOM 398 C2 A A 54 2.455 2.170 -2.736 1.00 0.00 C ATOM 399 N3 A A 54 1.995 1.933 -3.952 1.00 0.00 N ATOM 400 C4 A A 54 1.414 0.718 -4.002 1.00 0.00 C ATOM 0 H5' A A 54 -1.501 -1.429 -8.997 1.00 0.00 H new ATOM 0 H5'' A A 54 -0.057 -1.936 -9.851 1.00 0.00 H new ATOM 0 H4' A A 54 0.180 0.286 -9.243 1.00 0.00 H new ATOM 0 H3' A A 54 1.997 -1.510 -7.592 1.00 0.00 H new ATOM 0 H2' A A 54 2.916 0.605 -6.628 1.00 0.00 H new ATOM 0 HO2' A A 54 2.133 1.578 -9.000 1.00 0.00 H new ATOM 0 H1' A A 54 0.516 1.826 -6.270 1.00 0.00 H new ATOM 0 H8 A A 54 -0.106 -1.785 -5.334 1.00 0.00 H new ATOM 0 H61 A A 54 2.155 -0.259 0.224 1.00 0.00 H new ATOM 0 H62 A A 54 1.312 -1.499 -0.711 1.00 0.00 H new ATOM 0 H2 A A 54 2.945 3.123 -2.602 1.00 0.00 H new ATOM 412 P U A 55 3.976 -1.232 -9.344 1.00 0.00 P ATOM 413 OP1 U A 55 4.512 -1.063 -10.713 1.00 0.00 O ATOM 414 OP2 U A 55 3.854 -2.584 -8.754 1.00 0.00 O ATOM 415 O5' U A 55 4.834 -0.313 -8.342 1.00 0.00 O ATOM 416 C5' U A 55 5.051 1.064 -8.638 1.00 0.00 C ATOM 417 C4' U A 55 5.736 1.786 -7.481 1.00 0.00 C ATOM 418 O4' U A 55 4.896 1.768 -6.327 1.00 0.00 O ATOM 419 C3' U A 55 7.035 1.163 -7.010 1.00 0.00 C ATOM 420 O3' U A 55 8.113 1.570 -7.860 1.00 0.00 O ATOM 421 C2' U A 55 7.182 1.795 -5.638 1.00 0.00 C ATOM 422 O2' U A 55 7.769 3.099 -5.720 1.00 0.00 O ATOM 423 C1' U A 55 5.732 1.862 -5.158 1.00 0.00 C ATOM 424 N1 U A 55 5.385 0.761 -4.241 1.00 0.00 N ATOM 425 C2 U A 55 5.716 0.929 -2.915 1.00 0.00 C ATOM 426 O2 U A 55 6.257 1.954 -2.504 1.00 0.00 O ATOM 427 N3 U A 55 5.405 -0.119 -2.074 1.00 0.00 N ATOM 428 C4 U A 55 4.795 -1.305 -2.433 1.00 0.00 C ATOM 429 O4 U A 55 4.561 -2.166 -1.585 1.00 0.00 O ATOM 430 C5 U A 55 4.482 -1.399 -3.844 1.00 0.00 C ATOM 431 C6 U A 55 4.786 -0.385 -4.689 1.00 0.00 C ATOM 0 H5' U A 55 4.097 1.545 -8.854 1.00 0.00 H new ATOM 0 H5'' U A 55 5.663 1.152 -9.536 1.00 0.00 H new ATOM 0 H4' U A 55 5.936 2.780 -7.881 1.00 0.00 H new ATOM 0 H3' U A 55 7.042 0.073 -7.010 1.00 0.00 H new ATOM 0 H2' U A 55 7.839 1.239 -4.969 1.00 0.00 H new ATOM 0 HO2' U A 55 8.001 3.295 -6.652 1.00 0.00 H new ATOM 0 H1' U A 55 5.588 2.793 -4.610 1.00 0.00 H new ATOM 0 H3 U A 55 5.650 -0.007 -1.090 1.00 0.00 H new ATOM 0 H5 U A 55 4.001 -2.287 -4.226 1.00 0.00 H new ATOM 0 H6 U A 55 4.551 -0.483 -5.738 1.00 0.00 H new ATOM 442 P C A 56 9.412 0.636 -8.075 1.00 0.00 P ATOM 443 OP1 C A 56 10.275 1.278 -9.091 1.00 0.00 O ATOM 444 OP2 C A 56 8.948 -0.755 -8.280 1.00 0.00 O ATOM 445 O5' C A 56 10.177 0.702 -6.656 1.00 0.00 O ATOM 446 C5' C A 56 10.734 1.926 -6.173 1.00 0.00 C ATOM 447 C4' C A 56 11.302 1.765 -4.763 1.00 0.00 C ATOM 448 O4' C A 56 10.273 1.475 -3.825 1.00 0.00 O ATOM 449 C3' C A 56 12.299 0.637 -4.605 1.00 0.00 C ATOM 450 O3' C A 56 13.589 1.068 -5.047 1.00 0.00 O ATOM 451 C2' C A 56 12.293 0.399 -3.105 1.00 0.00 C ATOM 452 O2' C A 56 13.273 1.207 -2.444 1.00 0.00 O ATOM 453 C1' C A 56 10.870 0.799 -2.700 1.00 0.00 C ATOM 454 N1 C A 56 10.008 -0.346 -2.349 1.00 0.00 N ATOM 455 C2 C A 56 10.110 -0.849 -1.061 1.00 0.00 C ATOM 456 O2 C A 56 10.901 -0.342 -0.269 1.00 0.00 O ATOM 457 N3 C A 56 9.321 -1.907 -0.713 1.00 0.00 N ATOM 458 C4 C A 56 8.471 -2.446 -1.601 1.00 0.00 C ATOM 459 N4 C A 56 7.710 -3.476 -1.239 1.00 0.00 N ATOM 460 C5 C A 56 8.369 -1.931 -2.931 1.00 0.00 C ATOM 461 C6 C A 56 9.152 -0.887 -3.260 1.00 0.00 C ATOM 0 H5' C A 56 9.967 2.700 -6.171 1.00 0.00 H new ATOM 0 H5'' C A 56 11.522 2.260 -6.848 1.00 0.00 H new ATOM 0 H4' C A 56 11.796 2.720 -4.584 1.00 0.00 H new ATOM 0 H3' C A 56 12.059 -0.256 -5.181 1.00 0.00 H new ATOM 0 H2' C A 56 12.544 -0.626 -2.832 1.00 0.00 H new ATOM 0 HO2' C A 56 13.746 1.754 -3.105 1.00 0.00 H new ATOM 0 H1' C A 56 10.947 1.425 -1.811 1.00 0.00 H new ATOM 0 H41 C A 56 7.062 -3.891 -1.908 1.00 0.00 H new ATOM 0 H42 C A 56 7.775 -3.850 -0.292 1.00 0.00 H new ATOM 0 H5 C A 56 7.687 -2.365 -3.647 1.00 0.00 H new ATOM 0 H6 C A 56 9.101 -0.474 -4.257 1.00 0.00 H new ATOM 473 P A A 57 14.672 0.013 -5.599 1.00 0.00 P ATOM 474 OP1 A A 57 15.844 0.768 -6.094 1.00 0.00 O ATOM 475 OP2 A A 57 13.976 -0.940 -6.492 1.00 0.00 O ATOM 476 O5' A A 57 15.107 -0.774 -4.262 1.00 0.00 O ATOM 477 C5' A A 57 15.781 -0.087 -3.204 1.00 0.00 C ATOM 478 C4' A A 57 16.053 -1.009 -2.017 1.00 0.00 C ATOM 479 O4' A A 57 14.811 -1.341 -1.396 1.00 0.00 O ATOM 480 C3' A A 57 16.768 -2.307 -2.397 1.00 0.00 C ATOM 481 O3' A A 57 18.106 -2.319 -1.889 1.00 0.00 O ATOM 482 C2' A A 57 15.947 -3.427 -1.763 1.00 0.00 C ATOM 483 O2' A A 57 16.696 -4.095 -0.742 1.00 0.00 O ATOM 484 C1' A A 57 14.716 -2.749 -1.178 1.00 0.00 C ATOM 485 N9 A A 57 13.449 -3.212 -1.773 1.00 0.00 N ATOM 486 C8 A A 57 13.045 -3.160 -3.082 1.00 0.00 C ATOM 487 N7 A A 57 11.865 -3.673 -3.292 1.00 0.00 N ATOM 488 C5 A A 57 11.455 -4.091 -2.030 1.00 0.00 C ATOM 489 C6 A A 57 10.286 -4.720 -1.572 1.00 0.00 C ATOM 490 N6 A A 57 9.275 -5.052 -2.374 1.00 0.00 N ATOM 491 N1 A A 57 10.206 -4.992 -0.258 1.00 0.00 N ATOM 492 C2 A A 57 11.219 -4.661 0.534 1.00 0.00 C ATOM 493 N3 A A 57 12.364 -4.072 0.225 1.00 0.00 N ATOM 494 C4 A A 57 12.414 -3.812 -1.098 1.00 0.00 C ATOM 0 H5' A A 57 15.177 0.760 -2.877 1.00 0.00 H new ATOM 0 H5'' A A 57 16.723 0.317 -3.574 1.00 0.00 H new ATOM 0 H4' A A 57 16.715 -0.465 -1.344 1.00 0.00 H new ATOM 0 H3' A A 57 16.843 -2.420 -3.479 1.00 0.00 H new ATOM 0 H2' A A 57 15.677 -4.190 -2.493 1.00 0.00 H new ATOM 0 HO2' A A 57 17.580 -3.680 -0.660 1.00 0.00 H new ATOM 0 HO3' A A 57 18.560 -3.137 -2.182 1.00 0.00 H new ATOM 0 H1' A A 57 14.698 -3.004 -0.118 1.00 0.00 H new ATOM 0 H8 A A 57 13.650 -2.733 -3.868 1.00 0.00 H new ATOM 0 H61 A A 57 8.448 -5.508 -1.990 1.00 0.00 H new ATOM 0 H62 A A 57 9.329 -4.850 -3.372 1.00 0.00 H new ATOM 0 H2 A A 57 11.091 -4.907 1.578 1.00 0.00 H new TER 507 A A 57