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 -2:sc= -0.879 USER MOD Single : A 42 G O5' : rot 180:sc= 0 USER MOD Single : A 43 A O2' : rot 180:sc= -0.32 USER MOD Single : A 44 U O2' : rot 180:sc= -0.0769 USER MOD Single : A 45 C O2' : rot -6:sc= -0.565 USER MOD Single : A 46 U O2' : rot -15:sc= 0.0994 USER MOD Single : A 47 C O2' : rot -161:sc= -2.47! USER MOD Single : A 48 U O2' : rot -106:sc= -6.72! USER MOD Single : A 49 U O2' : rot -46:sc= 0.0904 USER MOD Single : A 50 G O2' : rot -77:sc= -6.17! USER MOD Single : A 51 U O2' : rot -126:sc= -5.14! USER MOD Single : A 52 A O2' : rot -1:sc= -0.622 USER MOD Single : A 53 G O2' : rot 180:sc= -0.143 USER MOD Single : A 54 A O2' : rot -0:sc= -1.94! USER MOD Single : A 55 U O2' : rot -4:sc= -0.49 USER MOD Single : A 56 C O2' : rot 9:sc= -1.63! USER MOD Single : A 57 A O2' : rot -14:sc= 0.219 USER MOD Single : A 57 A O3' : rot 180:sc= 0.22 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 42 6.538 -5.283 9.528 1.00 0.00 O ATOM 2 C5' G A 42 7.458 -4.843 10.529 1.00 0.00 C ATOM 3 C4' G A 42 8.232 -3.614 10.074 1.00 0.00 C ATOM 4 O4' G A 42 9.102 -3.926 8.989 1.00 0.00 O ATOM 5 C3' G A 42 7.367 -2.464 9.594 1.00 0.00 C ATOM 6 O3' G A 42 6.891 -1.691 10.698 1.00 0.00 O ATOM 7 C2' G A 42 8.354 -1.671 8.772 1.00 0.00 C ATOM 8 O2' G A 42 9.172 -0.831 9.595 1.00 0.00 O ATOM 9 C1' G A 42 9.167 -2.781 8.122 1.00 0.00 C ATOM 10 N9 G A 42 8.653 -3.201 6.813 1.00 0.00 N ATOM 11 C8 G A 42 7.841 -4.261 6.525 1.00 0.00 C ATOM 12 N7 G A 42 7.546 -4.374 5.261 1.00 0.00 N ATOM 13 C5 G A 42 8.215 -3.307 4.667 1.00 0.00 C ATOM 14 C6 G A 42 8.266 -2.915 3.304 1.00 0.00 C ATOM 15 O6 G A 42 7.721 -3.452 2.344 1.00 0.00 O ATOM 16 N1 G A 42 9.053 -1.780 3.125 1.00 0.00 N ATOM 17 C2 G A 42 9.710 -1.109 4.141 1.00 0.00 C ATOM 18 N2 G A 42 10.422 -0.039 3.787 1.00 0.00 N ATOM 19 N3 G A 42 9.660 -1.481 5.424 1.00 0.00 N ATOM 20 C4 G A 42 8.897 -2.583 5.610 1.00 0.00 C ATOM 0 H5' G A 42 8.155 -5.648 10.763 1.00 0.00 H new ATOM 0 H5'' G A 42 6.917 -4.614 11.447 1.00 0.00 H new ATOM 0 H4' G A 42 8.771 -3.305 10.970 1.00 0.00 H new ATOM 0 H3' G A 42 6.475 -2.772 9.049 1.00 0.00 H new ATOM 0 H2' G A 42 7.891 -0.985 8.062 1.00 0.00 H new ATOM 0 HO2' G A 42 8.894 -0.920 10.531 1.00 0.00 H new ATOM 0 HO5' G A 42 6.058 -6.074 9.850 1.00 0.00 H new ATOM 0 H1' G A 42 10.176 -2.398 7.972 1.00 0.00 H new ATOM 0 H8 G A 42 7.476 -4.944 7.278 1.00 0.00 H new ATOM 0 H1 G A 42 9.152 -1.417 2.177 1.00 0.00 H new ATOM 0 H21 G A 42 10.927 0.494 4.495 1.00 0.00 H new ATOM 0 H22 G A 42 10.462 0.246 2.809 1.00 0.00 H new ATOM 33 P A A 43 5.518 -0.856 10.581 1.00 0.00 P ATOM 34 OP1 A A 43 5.228 -0.251 11.900 1.00 0.00 O ATOM 35 OP2 A A 43 4.508 -1.717 9.926 1.00 0.00 O ATOM 36 O5' A A 43 5.910 0.327 9.559 1.00 0.00 O ATOM 37 C5' A A 43 6.883 1.304 9.928 1.00 0.00 C ATOM 38 C4' A A 43 7.213 2.252 8.774 1.00 0.00 C ATOM 39 O4' A A 43 7.847 1.543 7.701 1.00 0.00 O ATOM 40 C3' A A 43 6.015 2.937 8.139 1.00 0.00 C ATOM 41 O3' A A 43 5.615 4.071 8.921 1.00 0.00 O ATOM 42 C2' A A 43 6.591 3.364 6.809 1.00 0.00 C ATOM 43 O2' A A 43 7.369 4.560 6.924 1.00 0.00 O ATOM 44 C1' A A 43 7.454 2.161 6.457 1.00 0.00 C ATOM 45 N9 A A 43 6.735 1.159 5.649 1.00 0.00 N ATOM 46 C8 A A 43 6.082 0.025 6.056 1.00 0.00 C ATOM 47 N7 A A 43 5.512 -0.634 5.086 1.00 0.00 N ATOM 48 C5 A A 43 5.810 0.119 3.955 1.00 0.00 C ATOM 49 C6 A A 43 5.490 -0.040 2.598 1.00 0.00 C ATOM 50 N6 A A 43 4.772 -1.062 2.127 1.00 0.00 N ATOM 51 N1 A A 43 5.941 0.897 1.750 1.00 0.00 N ATOM 52 C2 A A 43 6.660 1.909 2.218 1.00 0.00 C ATOM 53 N3 A A 43 7.026 2.166 3.461 1.00 0.00 N ATOM 54 C4 A A 43 6.556 1.212 4.291 1.00 0.00 C ATOM 0 H5' A A 43 7.793 0.802 10.256 1.00 0.00 H new ATOM 0 H5'' A A 43 6.514 1.881 10.776 1.00 0.00 H new ATOM 0 H4' A A 43 7.850 3.003 9.241 1.00 0.00 H new ATOM 0 H3' A A 43 5.124 2.315 8.056 1.00 0.00 H new ATOM 0 H2' A A 43 5.840 3.609 6.058 1.00 0.00 H new ATOM 0 HO2' A A 43 7.726 4.804 6.044 1.00 0.00 H new ATOM 0 H1' A A 43 8.303 2.505 5.866 1.00 0.00 H new ATOM 0 H8 A A 43 6.043 -0.294 7.087 1.00 0.00 H new ATOM 0 H61 A A 43 4.570 -1.126 1.129 1.00 0.00 H new ATOM 0 H62 A A 43 4.426 -1.779 2.765 1.00 0.00 H new ATOM 0 H2 A A 43 6.993 2.623 1.479 1.00 0.00 H new ATOM 66 P U A 44 4.087 4.599 8.891 1.00 0.00 P ATOM 67 OP1 U A 44 3.948 5.661 9.912 1.00 0.00 O ATOM 68 OP2 U A 44 3.195 3.419 8.933 1.00 0.00 O ATOM 69 O5' U A 44 3.951 5.281 7.433 1.00 0.00 O ATOM 70 C5' U A 44 4.713 6.454 7.131 1.00 0.00 C ATOM 71 C4' U A 44 4.585 6.895 5.669 1.00 0.00 C ATOM 72 O4' U A 44 5.159 5.915 4.802 1.00 0.00 O ATOM 73 C3' U A 44 3.168 7.091 5.156 1.00 0.00 C ATOM 74 O3' U A 44 2.663 8.379 5.549 1.00 0.00 O ATOM 75 C2' U A 44 3.407 7.039 3.660 1.00 0.00 C ATOM 76 O2' U A 44 3.932 8.277 3.166 1.00 0.00 O ATOM 77 C1' U A 44 4.430 5.918 3.559 1.00 0.00 C ATOM 78 N1 U A 44 3.817 4.589 3.390 1.00 0.00 N ATOM 79 C2 U A 44 3.480 4.207 2.109 1.00 0.00 C ATOM 80 O2 U A 44 3.686 4.928 1.135 1.00 0.00 O ATOM 81 N3 U A 44 2.893 2.964 1.982 1.00 0.00 N ATOM 82 C4 U A 44 2.620 2.081 3.009 1.00 0.00 C ATOM 83 O4 U A 44 2.102 0.992 2.774 1.00 0.00 O ATOM 84 C5 U A 44 3.001 2.564 4.317 1.00 0.00 C ATOM 85 C6 U A 44 3.574 3.781 4.466 1.00 0.00 C ATOM 0 H5' U A 44 5.763 6.266 7.357 1.00 0.00 H new ATOM 0 H5'' U A 44 4.388 7.268 7.779 1.00 0.00 H new ATOM 0 H4' U A 44 5.095 7.858 5.658 1.00 0.00 H new ATOM 0 H3' U A 44 2.440 6.369 5.527 1.00 0.00 H new ATOM 0 H2' U A 44 2.505 6.874 3.071 1.00 0.00 H new ATOM 0 HO2' U A 44 4.076 8.209 2.199 1.00 0.00 H new ATOM 0 H1' U A 44 5.056 6.097 2.685 1.00 0.00 H new ATOM 0 H3 U A 44 2.636 2.669 1.040 1.00 0.00 H new ATOM 0 H5 U A 44 2.826 1.946 5.186 1.00 0.00 H new ATOM 0 H6 U A 44 3.845 4.121 5.455 1.00 0.00 H new ATOM 96 P C A 45 1.075 8.611 5.744 1.00 0.00 P ATOM 97 OP1 C A 45 0.876 9.976 6.281 1.00 0.00 O ATOM 98 OP2 C A 45 0.523 7.448 6.472 1.00 0.00 O ATOM 99 O5' C A 45 0.503 8.577 4.235 1.00 0.00 O ATOM 100 C5' C A 45 0.850 9.604 3.302 1.00 0.00 C ATOM 101 C4' C A 45 0.369 9.278 1.887 1.00 0.00 C ATOM 102 O4' C A 45 1.057 8.137 1.377 1.00 0.00 O ATOM 103 C3' C A 45 -1.104 8.938 1.752 1.00 0.00 C ATOM 104 O3' C A 45 -1.905 10.120 1.704 1.00 0.00 O ATOM 105 C2' C A 45 -1.117 8.236 0.412 1.00 0.00 C ATOM 106 O2' C A 45 -1.095 9.169 -0.675 1.00 0.00 O ATOM 107 C1' C A 45 0.171 7.427 0.487 1.00 0.00 C ATOM 108 N1 C A 45 -0.044 6.080 1.039 1.00 0.00 N ATOM 109 C2 C A 45 -0.453 5.089 0.165 1.00 0.00 C ATOM 110 O2 C A 45 -0.609 5.346 -1.032 1.00 0.00 O ATOM 111 N3 C A 45 -0.689 3.846 0.670 1.00 0.00 N ATOM 112 C4 C A 45 -0.528 3.585 1.970 1.00 0.00 C ATOM 113 N4 C A 45 -0.770 2.354 2.423 1.00 0.00 N ATOM 114 C5 C A 45 -0.105 4.608 2.875 1.00 0.00 C ATOM 115 C6 C A 45 0.118 5.834 2.370 1.00 0.00 C ATOM 0 H5' C A 45 1.932 9.738 3.296 1.00 0.00 H new ATOM 0 H5'' C A 45 0.414 10.549 3.625 1.00 0.00 H new ATOM 0 H4' C A 45 0.567 10.201 1.342 1.00 0.00 H new ATOM 0 H3' C A 45 -1.504 8.353 2.580 1.00 0.00 H new ATOM 0 H2' C A 45 -2.009 7.637 0.231 1.00 0.00 H new ATOM 0 HO2' C A 45 -1.175 10.081 -0.325 1.00 0.00 H new ATOM 0 H1' C A 45 0.574 7.312 -0.519 1.00 0.00 H new ATOM 0 H41 C A 45 -0.651 2.142 3.414 1.00 0.00 H new ATOM 0 H42 C A 45 -1.074 1.624 1.779 1.00 0.00 H new ATOM 0 H5 C A 45 0.031 4.403 3.927 1.00 0.00 H new ATOM 0 H6 C A 45 0.429 6.633 3.026 1.00 0.00 H new ATOM 127 P U A 46 -3.443 10.086 2.194 1.00 0.00 P ATOM 128 OP1 U A 46 -3.972 11.467 2.158 1.00 0.00 O ATOM 129 OP2 U A 46 -3.507 9.305 3.450 1.00 0.00 O ATOM 130 O5' U A 46 -4.178 9.233 1.037 1.00 0.00 O ATOM 131 C5' U A 46 -4.253 9.739 -0.298 1.00 0.00 C ATOM 132 C4' U A 46 -4.932 8.756 -1.255 1.00 0.00 C ATOM 133 O4' U A 46 -4.146 7.569 -1.395 1.00 0.00 O ATOM 134 C3' U A 46 -6.303 8.276 -0.813 1.00 0.00 C ATOM 135 O3' U A 46 -7.295 9.259 -1.155 1.00 0.00 O ATOM 136 C2' U A 46 -6.447 7.025 -1.657 1.00 0.00 C ATOM 137 O2' U A 46 -6.824 7.339 -3.004 1.00 0.00 O ATOM 138 C1' U A 46 -5.035 6.450 -1.587 1.00 0.00 C ATOM 139 N1 U A 46 -4.841 5.518 -0.456 1.00 0.00 N ATOM 140 C2 U A 46 -5.218 4.203 -0.645 1.00 0.00 C ATOM 141 O2 U A 46 -5.664 3.797 -1.714 1.00 0.00 O ATOM 142 N3 U A 46 -5.064 3.366 0.442 1.00 0.00 N ATOM 143 C4 U A 46 -4.572 3.717 1.684 1.00 0.00 C ATOM 144 O4 U A 46 -4.483 2.881 2.579 1.00 0.00 O ATOM 145 C5 U A 46 -4.201 5.109 1.796 1.00 0.00 C ATOM 146 C6 U A 46 -4.344 5.953 0.744 1.00 0.00 C ATOM 0 H5' U A 46 -3.248 9.958 -0.658 1.00 0.00 H new ATOM 0 H5'' U A 46 -4.803 10.680 -0.297 1.00 0.00 H new ATOM 0 H4' U A 46 -5.034 9.325 -2.179 1.00 0.00 H new ATOM 0 H3' U A 46 -6.419 8.104 0.257 1.00 0.00 H new ATOM 0 H2' U A 46 -7.223 6.341 -1.312 1.00 0.00 H new ATOM 0 HO2' U A 46 -7.150 8.262 -3.046 1.00 0.00 H new ATOM 0 H1' U A 46 -4.845 5.889 -2.502 1.00 0.00 H new ATOM 0 H3 U A 46 -5.341 2.392 0.315 1.00 0.00 H new ATOM 0 H5 U A 46 -3.805 5.482 2.729 1.00 0.00 H new ATOM 0 H6 U A 46 -4.060 6.989 0.855 1.00 0.00 H new ATOM 157 P C A 47 -8.653 9.420 -0.289 1.00 0.00 P ATOM 158 OP1 C A 47 -9.372 10.610 -0.795 1.00 0.00 O ATOM 159 OP2 C A 47 -8.291 9.341 1.144 1.00 0.00 O ATOM 160 O5' C A 47 -9.536 8.118 -0.651 1.00 0.00 O ATOM 161 C5' C A 47 -10.065 7.935 -1.968 1.00 0.00 C ATOM 162 C4' C A 47 -10.759 6.580 -2.123 1.00 0.00 C ATOM 163 O4' C A 47 -9.821 5.529 -2.046 1.00 0.00 O ATOM 164 C3' C A 47 -11.822 6.267 -1.084 1.00 0.00 C ATOM 165 O3' C A 47 -13.054 6.908 -1.461 1.00 0.00 O ATOM 166 C2' C A 47 -11.920 4.751 -1.203 1.00 0.00 C ATOM 167 O2' C A 47 -12.821 4.382 -2.248 1.00 0.00 O ATOM 168 C1' C A 47 -10.477 4.346 -1.556 1.00 0.00 C ATOM 169 N1 C A 47 -9.667 3.882 -0.422 1.00 0.00 N ATOM 170 C2 C A 47 -9.740 2.548 -0.072 1.00 0.00 C ATOM 171 O2 C A 47 -10.489 1.787 -0.690 1.00 0.00 O ATOM 172 N3 C A 47 -8.947 2.113 0.950 1.00 0.00 N ATOM 173 C4 C A 47 -8.126 2.955 1.593 1.00 0.00 C ATOM 174 N4 C A 47 -7.354 2.493 2.577 1.00 0.00 N ATOM 175 C5 C A 47 -8.065 4.336 1.237 1.00 0.00 C ATOM 176 C6 C A 47 -8.853 4.752 0.233 1.00 0.00 C ATOM 0 H5' C A 47 -9.259 8.015 -2.697 1.00 0.00 H new ATOM 0 H5'' C A 47 -10.774 8.733 -2.188 1.00 0.00 H new ATOM 0 H4' C A 47 -11.244 6.656 -3.096 1.00 0.00 H new ATOM 0 H3' C A 47 -11.604 6.607 -0.071 1.00 0.00 H new ATOM 0 H2' C A 47 -12.298 4.268 -0.302 1.00 0.00 H new ATOM 0 HO2' C A 47 -13.100 3.450 -2.126 1.00 0.00 H new ATOM 0 H1' C A 47 -10.552 3.521 -2.264 1.00 0.00 H new ATOM 0 H41 C A 47 -6.726 3.126 3.072 1.00 0.00 H new ATOM 0 H42 C A 47 -7.392 1.507 2.834 1.00 0.00 H new ATOM 0 H5 C A 47 -7.410 5.020 1.756 1.00 0.00 H new ATOM 0 H6 C A 47 -8.840 5.792 -0.058 1.00 0.00 H new ATOM 188 P U A 48 -14.162 7.376 -0.375 1.00 0.00 P ATOM 189 OP1 U A 48 -15.201 8.150 -1.089 1.00 0.00 O ATOM 190 OP2 U A 48 -13.448 7.992 0.766 1.00 0.00 O ATOM 191 O5' U A 48 -14.837 6.006 0.148 1.00 0.00 O ATOM 192 C5' U A 48 -16.198 6.022 0.619 1.00 0.00 C ATOM 193 C4' U A 48 -16.700 4.626 0.980 1.00 0.00 C ATOM 194 O4' U A 48 -16.828 3.821 -0.206 1.00 0.00 O ATOM 195 C3' U A 48 -15.776 3.878 1.948 1.00 0.00 C ATOM 196 O3' U A 48 -16.582 3.111 2.862 1.00 0.00 O ATOM 197 C2' U A 48 -15.029 2.951 1.004 1.00 0.00 C ATOM 198 O2' U A 48 -14.533 1.790 1.665 1.00 0.00 O ATOM 199 C1' U A 48 -16.111 2.608 0.009 1.00 0.00 C ATOM 200 N1 U A 48 -15.623 2.100 -1.296 1.00 0.00 N ATOM 201 C2 U A 48 -16.067 0.854 -1.712 1.00 0.00 C ATOM 202 O2 U A 48 -16.844 0.180 -1.041 1.00 0.00 O ATOM 203 N3 U A 48 -15.579 0.408 -2.927 1.00 0.00 N ATOM 204 C4 U A 48 -14.702 1.087 -3.753 1.00 0.00 C ATOM 205 O4 U A 48 -14.326 0.591 -4.812 1.00 0.00 O ATOM 206 C5 U A 48 -14.296 2.376 -3.243 1.00 0.00 C ATOM 207 C6 U A 48 -14.760 2.834 -2.056 1.00 0.00 C ATOM 0 H5' U A 48 -16.842 6.450 -0.150 1.00 0.00 H new ATOM 0 H5'' U A 48 -16.271 6.670 1.493 1.00 0.00 H new ATOM 0 H4' U A 48 -17.662 4.778 1.470 1.00 0.00 H new ATOM 0 H3' U A 48 -15.125 4.514 2.548 1.00 0.00 H new ATOM 0 H2' U A 48 -14.138 3.398 0.563 1.00 0.00 H new ATOM 0 HO2' U A 48 -13.562 1.865 1.773 1.00 0.00 H new ATOM 0 H1' U A 48 -16.711 1.795 0.419 1.00 0.00 H new ATOM 0 H3 U A 48 -15.896 -0.508 -3.244 1.00 0.00 H new ATOM 0 H5 U A 48 -13.612 2.984 -3.817 1.00 0.00 H new ATOM 0 H6 U A 48 -14.439 3.803 -1.703 1.00 0.00 H new ATOM 218 P U A 49 -16.162 2.784 4.398 1.00 0.00 P ATOM 219 OP1 U A 49 -17.297 2.088 5.043 1.00 0.00 O ATOM 220 OP2 U A 49 -15.636 4.031 4.997 1.00 0.00 O ATOM 221 O5' U A 49 -14.940 1.738 4.280 1.00 0.00 O ATOM 222 C5' U A 49 -15.115 0.462 3.670 1.00 0.00 C ATOM 223 C4' U A 49 -13.789 -0.295 3.566 1.00 0.00 C ATOM 224 O4' U A 49 -12.873 0.487 2.774 1.00 0.00 O ATOM 225 C3' U A 49 -13.077 -0.561 4.895 1.00 0.00 C ATOM 226 O3' U A 49 -12.494 -1.862 4.805 1.00 0.00 O ATOM 227 C2' U A 49 -11.989 0.481 4.996 1.00 0.00 C ATOM 228 O2' U A 49 -10.826 -0.036 5.653 1.00 0.00 O ATOM 229 C1' U A 49 -11.702 0.819 3.553 1.00 0.00 C ATOM 230 N1 U A 49 -11.383 2.244 3.364 1.00 0.00 N ATOM 231 C2 U A 49 -10.089 2.641 3.632 1.00 0.00 C ATOM 232 O2 U A 49 -9.226 1.847 3.998 1.00 0.00 O ATOM 233 N3 U A 49 -9.820 3.988 3.471 1.00 0.00 N ATOM 234 C4 U A 49 -10.722 4.956 3.066 1.00 0.00 C ATOM 235 O4 U A 49 -10.376 6.131 2.963 1.00 0.00 O ATOM 236 C5 U A 49 -12.049 4.448 2.805 1.00 0.00 C ATOM 237 C6 U A 49 -12.332 3.132 2.964 1.00 0.00 C ATOM 0 H5' U A 49 -15.542 0.588 2.675 1.00 0.00 H new ATOM 0 H5'' U A 49 -15.826 -0.126 4.250 1.00 0.00 H new ATOM 0 H4' U A 49 -14.051 -1.261 3.134 1.00 0.00 H new ATOM 0 H3' U A 49 -13.740 -0.514 5.759 1.00 0.00 H new ATOM 0 H2' U A 49 -12.284 1.348 5.587 1.00 0.00 H new ATOM 0 HO2' U A 49 -11.095 -0.519 6.462 1.00 0.00 H new ATOM 0 H1' U A 49 -10.831 0.248 3.232 1.00 0.00 H new ATOM 0 H3 U A 49 -8.868 4.297 3.669 1.00 0.00 H new ATOM 0 H5 U A 49 -12.825 5.125 2.479 1.00 0.00 H new ATOM 0 H6 U A 49 -13.334 2.781 2.768 1.00 0.00 H new ATOM 248 P G A 50 -12.104 -2.748 6.088 1.00 0.00 P ATOM 249 OP1 G A 50 -13.320 -2.946 6.909 1.00 0.00 O ATOM 250 OP2 G A 50 -10.876 -2.190 6.696 1.00 0.00 O ATOM 251 O5' G A 50 -11.736 -4.144 5.377 1.00 0.00 O ATOM 252 C5' G A 50 -12.768 -4.952 4.805 1.00 0.00 C ATOM 253 C4' G A 50 -12.213 -6.009 3.861 1.00 0.00 C ATOM 254 O4' G A 50 -11.763 -5.353 2.683 1.00 0.00 O ATOM 255 C3' G A 50 -11.040 -6.811 4.417 1.00 0.00 C ATOM 256 O3' G A 50 -11.423 -8.152 4.689 1.00 0.00 O ATOM 257 C2' G A 50 -10.033 -6.815 3.271 1.00 0.00 C ATOM 258 O2' G A 50 -10.230 -7.943 2.409 1.00 0.00 O ATOM 259 C1' G A 50 -10.355 -5.518 2.556 1.00 0.00 C ATOM 260 N9 G A 50 -9.702 -4.326 3.133 1.00 0.00 N ATOM 261 C8 G A 50 -9.021 -4.196 4.317 1.00 0.00 C ATOM 262 N7 G A 50 -8.487 -3.023 4.496 1.00 0.00 N ATOM 263 C5 G A 50 -8.834 -2.321 3.350 1.00 0.00 C ATOM 264 C6 G A 50 -8.536 -0.984 2.982 1.00 0.00 C ATOM 265 O6 G A 50 -7.878 -0.153 3.610 1.00 0.00 O ATOM 266 N1 G A 50 -9.087 -0.664 1.743 1.00 0.00 N ATOM 267 C2 G A 50 -9.825 -1.531 0.957 1.00 0.00 C ATOM 268 N2 G A 50 -10.278 -1.053 -0.204 1.00 0.00 N ATOM 269 N3 G A 50 -10.097 -2.789 1.306 1.00 0.00 N ATOM 270 C4 G A 50 -9.574 -3.112 2.509 1.00 0.00 C ATOM 0 H5' G A 50 -13.468 -4.315 4.264 1.00 0.00 H new ATOM 0 H5'' G A 50 -13.330 -5.438 5.602 1.00 0.00 H new ATOM 0 H4' G A 50 -13.023 -6.717 3.686 1.00 0.00 H new ATOM 0 H3' G A 50 -10.660 -6.388 5.347 1.00 0.00 H new ATOM 0 H2' G A 50 -8.997 -6.888 3.601 1.00 0.00 H new ATOM 0 HO2' G A 50 -9.865 -8.747 2.834 1.00 0.00 H new ATOM 0 H1' G A 50 -9.994 -5.591 1.530 1.00 0.00 H new ATOM 0 H8 G A 50 -8.936 -4.997 5.037 1.00 0.00 H new ATOM 0 H1 G A 50 -8.935 0.280 1.389 1.00 0.00 H new ATOM 0 H21 G A 50 -10.828 -1.650 -0.822 1.00 0.00 H new ATOM 0 H22 G A 50 -10.075 -0.090 -0.473 1.00 0.00 H new ATOM 282 P U A 51 -10.328 -9.147 5.310 1.00 0.00 P ATOM 283 OP1 U A 51 -11.000 -10.415 5.673 1.00 0.00 O ATOM 284 OP2 U A 51 -9.544 -8.407 6.324 1.00 0.00 O ATOM 285 O5' U A 51 -9.383 -9.417 4.035 1.00 0.00 O ATOM 286 C5' U A 51 -8.033 -9.850 4.197 1.00 0.00 C ATOM 287 C4' U A 51 -7.435 -10.269 2.862 1.00 0.00 C ATOM 288 O4' U A 51 -8.128 -11.421 2.384 1.00 0.00 O ATOM 289 C3' U A 51 -7.495 -9.217 1.760 1.00 0.00 C ATOM 290 O3' U A 51 -6.300 -9.343 0.987 1.00 0.00 O ATOM 291 C2' U A 51 -8.712 -9.592 0.936 1.00 0.00 C ATOM 292 O2' U A 51 -8.490 -9.347 -0.458 1.00 0.00 O ATOM 293 C1' U A 51 -8.890 -11.088 1.217 1.00 0.00 C ATOM 294 N1 U A 51 -10.293 -11.525 1.462 1.00 0.00 N ATOM 295 C2 U A 51 -10.739 -12.653 0.789 1.00 0.00 C ATOM 296 O2 U A 51 -10.013 -13.285 0.026 1.00 0.00 O ATOM 297 N3 U A 51 -12.045 -13.034 1.032 1.00 0.00 N ATOM 298 C4 U A 51 -12.938 -12.399 1.876 1.00 0.00 C ATOM 299 O4 U A 51 -14.084 -12.823 2.009 1.00 0.00 O ATOM 300 C5 U A 51 -12.395 -11.237 2.541 1.00 0.00 C ATOM 301 C6 U A 51 -11.116 -10.842 2.324 1.00 0.00 C ATOM 0 H5' U A 51 -7.996 -10.686 4.895 1.00 0.00 H new ATOM 0 H5'' U A 51 -7.438 -9.046 4.631 1.00 0.00 H new ATOM 0 H4' U A 51 -6.380 -10.450 3.069 1.00 0.00 H new ATOM 0 H3' U A 51 -7.568 -8.191 2.122 1.00 0.00 H new ATOM 0 H2' U A 51 -9.594 -9.007 1.194 1.00 0.00 H new ATOM 0 HO2' U A 51 -9.208 -8.779 -0.809 1.00 0.00 H new ATOM 0 H1' U A 51 -8.556 -11.599 0.314 1.00 0.00 H new ATOM 0 H3 U A 51 -12.383 -13.863 0.542 1.00 0.00 H new ATOM 0 H5 U A 51 -13.017 -10.674 3.221 1.00 0.00 H new ATOM 0 H6 U A 51 -10.737 -9.972 2.840 1.00 0.00 H new ATOM 312 P A A 52 -5.154 -8.214 0.929 1.00 0.00 P ATOM 313 OP1 A A 52 -3.975 -8.786 0.242 1.00 0.00 O ATOM 314 OP2 A A 52 -5.007 -7.638 2.284 1.00 0.00 O ATOM 315 O5' A A 52 -5.791 -7.087 -0.023 1.00 0.00 O ATOM 316 C5' A A 52 -6.693 -7.450 -1.066 1.00 0.00 C ATOM 317 C4' A A 52 -7.050 -6.254 -1.935 1.00 0.00 C ATOM 318 O4' A A 52 -7.748 -5.242 -1.193 1.00 0.00 O ATOM 319 C3' A A 52 -5.828 -5.564 -2.504 1.00 0.00 C ATOM 320 O3' A A 52 -5.395 -6.275 -3.670 1.00 0.00 O ATOM 321 C2' A A 52 -6.376 -4.199 -2.855 1.00 0.00 C ATOM 322 O2' A A 52 -7.086 -4.216 -4.099 1.00 0.00 O ATOM 323 C1' A A 52 -7.311 -3.952 -1.678 1.00 0.00 C ATOM 324 N9 A A 52 -6.672 -3.243 -0.558 1.00 0.00 N ATOM 325 C8 A A 52 -6.215 -3.744 0.637 1.00 0.00 C ATOM 326 N7 A A 52 -5.715 -2.834 1.430 1.00 0.00 N ATOM 327 C5 A A 52 -5.853 -1.651 0.708 1.00 0.00 C ATOM 328 C6 A A 52 -5.511 -0.319 0.991 1.00 0.00 C ATOM 329 N6 A A 52 -4.936 0.060 2.130 1.00 0.00 N ATOM 330 N1 A A 52 -5.783 0.601 0.051 1.00 0.00 N ATOM 331 C2 A A 52 -6.355 0.219 -1.084 1.00 0.00 C ATOM 332 N3 A A 52 -6.724 -0.992 -1.464 1.00 0.00 N ATOM 333 C4 A A 52 -6.437 -1.893 -0.501 1.00 0.00 C ATOM 0 H5' A A 52 -7.601 -7.871 -0.633 1.00 0.00 H new ATOM 0 H5'' A A 52 -6.243 -8.228 -1.683 1.00 0.00 H new ATOM 0 H4' A A 52 -7.669 -6.671 -2.729 1.00 0.00 H new ATOM 0 H3' A A 52 -4.966 -5.515 -1.838 1.00 0.00 H new ATOM 0 H2' A A 52 -5.614 -3.432 -2.994 1.00 0.00 H new ATOM 0 HO2' A A 52 -7.059 -5.119 -4.479 1.00 0.00 H new ATOM 0 H1' A A 52 -8.128 -3.324 -2.033 1.00 0.00 H new ATOM 0 H8 A A 52 -6.264 -4.791 0.896 1.00 0.00 H new ATOM 0 H61 A A 52 -4.708 1.042 2.284 1.00 0.00 H new ATOM 0 H62 A A 52 -4.723 -0.632 2.849 1.00 0.00 H new ATOM 0 H2 A A 52 -6.546 1.008 -1.797 1.00 0.00 H new ATOM 345 P G A 53 -3.855 -6.260 -4.139 1.00 0.00 P ATOM 346 OP1 G A 53 -3.711 -7.177 -5.292 1.00 0.00 O ATOM 347 OP2 G A 53 -3.004 -6.439 -2.941 1.00 0.00 O ATOM 348 O5' G A 53 -3.672 -4.758 -4.667 1.00 0.00 O ATOM 349 C5' G A 53 -4.396 -4.313 -5.811 1.00 0.00 C ATOM 350 C4' G A 53 -4.191 -2.826 -6.043 1.00 0.00 C ATOM 351 O4' G A 53 -4.739 -2.080 -4.955 1.00 0.00 O ATOM 352 C3' G A 53 -2.739 -2.400 -6.128 1.00 0.00 C ATOM 353 O3' G A 53 -2.221 -2.648 -7.442 1.00 0.00 O ATOM 354 C2' G A 53 -2.867 -0.914 -5.858 1.00 0.00 C ATOM 355 O2' G A 53 -3.316 -0.202 -7.018 1.00 0.00 O ATOM 356 C1' G A 53 -3.922 -0.915 -4.756 1.00 0.00 C ATOM 357 N9 G A 53 -3.339 -0.980 -3.406 1.00 0.00 N ATOM 358 C8 G A 53 -3.121 -2.067 -2.600 1.00 0.00 C ATOM 359 N7 G A 53 -2.549 -1.774 -1.464 1.00 0.00 N ATOM 360 C5 G A 53 -2.375 -0.394 -1.527 1.00 0.00 C ATOM 361 C6 G A 53 -1.799 0.497 -0.582 1.00 0.00 C ATOM 362 O6 G A 53 -1.332 0.233 0.527 1.00 0.00 O ATOM 363 N1 G A 53 -1.817 1.810 -1.049 1.00 0.00 N ATOM 364 C2 G A 53 -2.329 2.211 -2.271 1.00 0.00 C ATOM 365 N2 G A 53 -2.260 3.514 -2.559 1.00 0.00 N ATOM 366 N3 G A 53 -2.870 1.371 -3.149 1.00 0.00 N ATOM 367 C4 G A 53 -2.858 0.094 -2.713 1.00 0.00 C ATOM 0 H5' G A 53 -5.458 -4.520 -5.677 1.00 0.00 H new ATOM 0 H5'' G A 53 -4.071 -4.870 -6.690 1.00 0.00 H new ATOM 0 H4' G A 53 -4.680 -2.631 -6.998 1.00 0.00 H new ATOM 0 H3' G A 53 -2.063 -2.922 -5.451 1.00 0.00 H new ATOM 0 H2' G A 53 -1.932 -0.422 -5.589 1.00 0.00 H new ATOM 0 HO2' G A 53 -3.389 0.753 -6.808 1.00 0.00 H new ATOM 0 H1' G A 53 -4.487 0.015 -4.817 1.00 0.00 H new ATOM 0 H8 G A 53 -3.397 -3.073 -2.879 1.00 0.00 H new ATOM 0 H1 G A 53 -1.423 2.531 -0.444 1.00 0.00 H new ATOM 0 H21 G A 53 -2.623 3.860 -3.447 1.00 0.00 H new ATOM 0 H22 G A 53 -1.844 4.163 -1.891 1.00 0.00 H new ATOM 379 P A A 54 -0.650 -2.953 -7.657 1.00 0.00 P ATOM 380 OP1 A A 54 -0.433 -3.279 -9.084 1.00 0.00 O ATOM 381 OP2 A A 54 -0.215 -3.901 -6.609 1.00 0.00 O ATOM 382 O5' A A 54 0.033 -1.532 -7.360 1.00 0.00 O ATOM 383 C5' A A 54 -0.207 -0.419 -8.214 1.00 0.00 C ATOM 384 C4' A A 54 0.381 0.855 -7.627 1.00 0.00 C ATOM 385 O4' A A 54 -0.281 1.200 -6.406 1.00 0.00 O ATOM 386 C3' A A 54 1.851 0.785 -7.261 1.00 0.00 C ATOM 387 O3' A A 54 2.680 0.993 -8.401 1.00 0.00 O ATOM 388 C2' A A 54 1.971 1.969 -6.332 1.00 0.00 C ATOM 389 O2' A A 54 2.066 3.200 -7.060 1.00 0.00 O ATOM 390 C1' A A 54 0.669 1.879 -5.558 1.00 0.00 C ATOM 391 N9 A A 54 0.797 1.127 -4.296 1.00 0.00 N ATOM 392 C8 A A 54 0.493 -0.183 -4.027 1.00 0.00 C ATOM 393 N7 A A 54 0.720 -0.533 -2.790 1.00 0.00 N ATOM 394 C5 A A 54 1.215 0.627 -2.204 1.00 0.00 C ATOM 395 C6 A A 54 1.652 0.923 -0.903 1.00 0.00 C ATOM 396 N6 A A 54 1.653 0.034 0.089 1.00 0.00 N ATOM 397 N1 A A 54 2.086 2.173 -0.669 1.00 0.00 N ATOM 398 C2 A A 54 2.083 3.057 -1.661 1.00 0.00 C ATOM 399 N3 A A 54 1.695 2.901 -2.913 1.00 0.00 N ATOM 400 C4 A A 54 1.266 1.640 -3.117 1.00 0.00 C ATOM 0 H5' A A 54 -1.280 -0.294 -8.362 1.00 0.00 H new ATOM 0 H5'' A A 54 0.230 -0.607 -9.195 1.00 0.00 H new ATOM 0 H4' A A 54 0.245 1.582 -8.428 1.00 0.00 H new ATOM 0 H3' A A 54 2.154 -0.175 -6.842 1.00 0.00 H new ATOM 0 H2' A A 54 2.862 1.953 -5.705 1.00 0.00 H new ATOM 0 HO2' A A 54 2.039 3.014 -8.022 1.00 0.00 H new ATOM 0 H1' A A 54 0.355 2.889 -5.293 1.00 0.00 H new ATOM 0 H8 A A 54 0.102 -0.862 -4.770 1.00 0.00 H new ATOM 0 H61 A A 54 1.982 0.304 1.016 1.00 0.00 H new ATOM 0 H62 A A 54 1.325 -0.917 -0.078 1.00 0.00 H new ATOM 0 H2 A A 54 2.449 4.041 -1.407 1.00 0.00 H new ATOM 412 P U A 55 4.167 0.383 -8.458 1.00 0.00 P ATOM 413 OP1 U A 55 4.767 0.730 -9.767 1.00 0.00 O ATOM 414 OP2 U A 55 4.119 -1.027 -8.011 1.00 0.00 O ATOM 415 O5' U A 55 4.891 1.258 -7.319 1.00 0.00 O ATOM 416 C5' U A 55 5.012 2.669 -7.465 1.00 0.00 C ATOM 417 C4' U A 55 5.581 3.322 -6.206 1.00 0.00 C ATOM 418 O4' U A 55 4.692 3.131 -5.101 1.00 0.00 O ATOM 419 C3' U A 55 6.897 2.744 -5.732 1.00 0.00 C ATOM 420 O3' U A 55 7.981 3.301 -6.484 1.00 0.00 O ATOM 421 C2' U A 55 6.939 3.248 -4.301 1.00 0.00 C ATOM 422 O2' U A 55 7.422 4.595 -4.232 1.00 0.00 O ATOM 423 C1' U A 55 5.471 3.159 -3.886 1.00 0.00 C ATOM 424 N1 U A 55 5.168 1.950 -3.094 1.00 0.00 N ATOM 425 C2 U A 55 5.443 2.007 -1.744 1.00 0.00 C ATOM 426 O2 U A 55 5.911 3.015 -1.217 1.00 0.00 O ATOM 427 N3 U A 55 5.167 0.867 -1.017 1.00 0.00 N ATOM 428 C4 U A 55 4.642 -0.312 -1.509 1.00 0.00 C ATOM 429 O4 U A 55 4.430 -1.262 -0.754 1.00 0.00 O ATOM 430 C5 U A 55 4.384 -0.288 -2.934 1.00 0.00 C ATOM 431 C6 U A 55 4.654 0.819 -3.670 1.00 0.00 C ATOM 0 H5' U A 55 4.034 3.097 -7.686 1.00 0.00 H new ATOM 0 H5'' U A 55 5.658 2.893 -8.314 1.00 0.00 H new ATOM 0 H4' U A 55 5.718 4.364 -6.495 1.00 0.00 H new ATOM 0 H3' U A 55 6.980 1.662 -5.835 1.00 0.00 H new ATOM 0 H2' U A 55 7.611 2.680 -3.658 1.00 0.00 H new ATOM 0 HO2' U A 55 7.694 4.891 -5.126 1.00 0.00 H new ATOM 0 H1' U A 55 5.234 4.014 -3.253 1.00 0.00 H new ATOM 0 H3 U A 55 5.371 0.898 -0.018 1.00 0.00 H new ATOM 0 H5 U A 55 3.972 -1.162 -3.416 1.00 0.00 H new ATOM 0 H6 U A 55 4.460 0.808 -4.732 1.00 0.00 H new ATOM 442 P C A 56 9.339 2.462 -6.709 1.00 0.00 P ATOM 443 OP1 C A 56 10.212 3.240 -7.617 1.00 0.00 O ATOM 444 OP2 C A 56 8.968 1.073 -7.059 1.00 0.00 O ATOM 445 O5' C A 56 10.021 2.449 -5.249 1.00 0.00 O ATOM 446 C5' C A 56 10.494 3.656 -4.649 1.00 0.00 C ATOM 447 C4' C A 56 11.041 3.411 -3.242 1.00 0.00 C ATOM 448 O4' C A 56 10.007 3.004 -2.353 1.00 0.00 O ATOM 449 C3' C A 56 12.085 2.319 -3.153 1.00 0.00 C ATOM 450 O3' C A 56 13.368 2.827 -3.534 1.00 0.00 O ATOM 451 C2' C A 56 12.064 1.979 -1.670 1.00 0.00 C ATOM 452 O2' C A 56 12.983 2.795 -0.935 1.00 0.00 O ATOM 453 C1' C A 56 10.612 2.271 -1.270 1.00 0.00 C ATOM 454 N1 C A 56 9.808 1.055 -1.041 1.00 0.00 N ATOM 455 C2 C A 56 9.902 0.448 0.203 1.00 0.00 C ATOM 456 O2 C A 56 10.632 0.929 1.067 1.00 0.00 O ATOM 457 N3 C A 56 9.171 -0.682 0.428 1.00 0.00 N ATOM 458 C4 C A 56 8.385 -1.191 -0.535 1.00 0.00 C ATOM 459 N4 C A 56 7.681 -2.294 -0.293 1.00 0.00 N ATOM 460 C5 C A 56 8.292 -0.567 -1.817 1.00 0.00 C ATOM 461 C6 C A 56 9.017 0.546 -2.025 1.00 0.00 C ATOM 0 H5' C A 56 9.682 4.382 -4.603 1.00 0.00 H new ATOM 0 H5'' C A 56 11.275 4.091 -5.273 1.00 0.00 H new ATOM 0 H4' C A 56 11.487 4.369 -2.975 1.00 0.00 H new ATOM 0 H3' C A 56 11.892 1.466 -3.803 1.00 0.00 H new ATOM 0 H2' C A 56 12.367 0.953 -1.461 1.00 0.00 H new ATOM 0 HO2' C A 56 13.336 3.498 -1.519 1.00 0.00 H new ATOM 0 H1' C A 56 10.632 2.825 -0.331 1.00 0.00 H new ATOM 0 H41 C A 56 7.082 -2.686 -1.019 1.00 0.00 H new ATOM 0 H42 C A 56 7.740 -2.747 0.619 1.00 0.00 H new ATOM 0 H5 C A 56 7.661 -0.975 -2.592 1.00 0.00 H new ATOM 0 H6 C A 56 8.971 1.042 -2.983 1.00 0.00 H new ATOM 473 P A A 57 14.480 1.847 -4.167 1.00 0.00 P ATOM 474 OP1 A A 57 15.640 2.669 -4.578 1.00 0.00 O ATOM 475 OP2 A A 57 13.813 0.970 -5.154 1.00 0.00 O ATOM 476 O5' A A 57 14.926 0.938 -2.913 1.00 0.00 O ATOM 477 C5' A A 57 15.599 1.515 -1.791 1.00 0.00 C ATOM 478 C4' A A 57 15.868 0.476 -0.703 1.00 0.00 C ATOM 479 O4' A A 57 14.644 0.007 -0.145 1.00 0.00 O ATOM 480 C3' A A 57 16.592 -0.766 -1.184 1.00 0.00 C ATOM 481 O3' A A 57 18.005 -0.555 -1.282 1.00 0.00 O ATOM 482 C2' A A 57 16.241 -1.779 -0.107 1.00 0.00 C ATOM 483 O2' A A 57 17.191 -1.755 0.963 1.00 0.00 O ATOM 484 C1' A A 57 14.860 -1.321 0.364 1.00 0.00 C ATOM 485 N9 A A 57 13.762 -2.180 -0.116 1.00 0.00 N ATOM 486 C8 A A 57 12.952 -2.014 -1.209 1.00 0.00 C ATOM 487 N7 A A 57 12.077 -2.968 -1.367 1.00 0.00 N ATOM 488 C5 A A 57 12.327 -3.829 -0.304 1.00 0.00 C ATOM 489 C6 A A 57 11.737 -5.040 0.099 1.00 0.00 C ATOM 490 N6 A A 57 10.726 -5.612 -0.554 1.00 0.00 N ATOM 491 N1 A A 57 12.232 -5.631 1.200 1.00 0.00 N ATOM 492 C2 A A 57 13.238 -5.054 1.847 1.00 0.00 C ATOM 493 N3 A A 57 13.871 -3.925 1.571 1.00 0.00 N ATOM 494 C4 A A 57 13.353 -3.357 0.463 1.00 0.00 C ATOM 0 H5' A A 57 14.996 2.325 -1.381 1.00 0.00 H new ATOM 0 H5'' A A 57 16.542 1.954 -2.117 1.00 0.00 H new ATOM 0 H4' A A 57 16.496 1.004 0.015 1.00 0.00 H new ATOM 0 H3' A A 57 16.301 -1.080 -2.186 1.00 0.00 H new ATOM 0 H2' A A 57 16.250 -2.807 -0.470 1.00 0.00 H new ATOM 0 HO2' A A 57 17.988 -1.259 0.682 1.00 0.00 H new ATOM 0 HO3' A A 57 18.438 -1.377 -1.593 1.00 0.00 H new ATOM 0 H1' A A 57 14.851 -1.366 1.453 1.00 0.00 H new ATOM 0 H8 A A 57 13.031 -1.170 -1.878 1.00 0.00 H new ATOM 0 H61 A A 57 10.335 -6.492 -0.218 1.00 0.00 H new ATOM 0 H62 A A 57 10.343 -5.170 -1.390 1.00 0.00 H new ATOM 0 H2 A A 57 13.589 -5.581 2.722 1.00 0.00 H new TER 507 A A 57