USER MOD reduce.3.24.130724 H: found=0, std=0, add=176, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 176 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot 180:sc= -0.408 USER MOD Single : A 1 G O5' : rot 180:sc=-0.00102 USER MOD Single : A 2 A O2' : rot 180:sc= -0.263 USER MOD Single : A 3 G O2' : rot 180:sc= -0.441 USER MOD Single : A 4 G O2' : rot -18:sc= -0.473 USER MOD Single : A 5 U O2' : rot -27:sc= 0.145 USER MOD Single : A 6 C O2' : rot -20:sc= -0.011 USER MOD Single : A 7 U O2' : rot 180:sc= -0.388 USER MOD Single : A 8 C O2' : rot -29:sc= 0.129 USER MOD Single : A 8 C O3' : rot 180:sc= 0.148 USER MOD Single : B 9 G O2' : rot 180:sc= -0.393 USER MOD Single : B 9 G O5' : rot 180:sc= 0 USER MOD Single : B 10 A O2' : rot 180:sc= -0.255 USER MOD Single : B 11 G O2' : rot 180:sc= -0.388 USER MOD Single : B 12 G O2' : rot -22:sc= -0.189 USER MOD Single : B 13 U O2' : rot -17:sc= -0.194 USER MOD Single : B 14 C O2' : rot -16:sc= -0.295 USER MOD Single : B 15 U O2' : rot 180:sc= -0.443 USER MOD Single : B 16 C O2' : rot -19:sc= 0.134 USER MOD Single : B 16 C O3' : rot 180:sc= 0.14 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 5.185 -8.953 4.199 1.00 0.00 O ATOM 2 C5' G A 1 6.550 -9.284 4.064 1.00 0.00 C ATOM 3 C4' G A 1 7.359 -8.033 3.714 1.00 0.00 C ATOM 4 O4' G A 1 6.945 -7.476 2.469 1.00 0.00 O ATOM 5 C3' G A 1 7.178 -6.918 4.724 1.00 0.00 C ATOM 6 O3' G A 1 7.919 -7.133 5.911 1.00 0.00 O ATOM 7 C2' G A 1 7.713 -5.760 3.921 1.00 0.00 C ATOM 8 O2' G A 1 9.123 -5.822 3.872 1.00 0.00 O ATOM 9 C1' G A 1 7.166 -6.059 2.531 1.00 0.00 C ATOM 10 N9 G A 1 5.889 -5.343 2.343 1.00 0.00 N ATOM 11 C8 G A 1 4.612 -5.788 2.558 1.00 0.00 C ATOM 12 N7 G A 1 3.691 -4.905 2.292 1.00 0.00 N ATOM 13 C5 G A 1 4.410 -3.788 1.878 1.00 0.00 C ATOM 14 C6 G A 1 3.949 -2.503 1.465 1.00 0.00 C ATOM 15 O6 G A 1 2.792 -2.103 1.367 1.00 0.00 O ATOM 16 N1 G A 1 5.008 -1.656 1.154 1.00 0.00 N ATOM 17 C2 G A 1 6.341 -1.998 1.225 1.00 0.00 C ATOM 18 N2 G A 1 7.224 -1.051 0.894 1.00 0.00 N ATOM 19 N3 G A 1 6.776 -3.204 1.603 1.00 0.00 N ATOM 20 C4 G A 1 5.758 -4.045 1.916 1.00 0.00 C ATOM 0 H5' G A 1 6.675 -10.037 3.286 1.00 0.00 H new ATOM 0 H5'' G A 1 6.921 -9.719 4.992 1.00 0.00 H new ATOM 0 H4' G A 1 8.394 -8.374 3.690 1.00 0.00 H new ATOM 0 H3' G A 1 6.159 -6.796 5.092 1.00 0.00 H new ATOM 0 H2' G A 1 7.438 -4.784 4.322 1.00 0.00 H new ATOM 0 HO2' G A 1 9.466 -5.068 3.348 1.00 0.00 H new ATOM 0 HO5' G A 1 4.673 -9.759 4.421 1.00 0.00 H new ATOM 0 H1' G A 1 7.858 -5.738 1.753 1.00 0.00 H new ATOM 0 H8 G A 1 4.388 -6.782 2.916 1.00 0.00 H new ATOM 0 H1 G A 1 4.780 -0.709 0.850 1.00 0.00 H new ATOM 0 H21 G A 1 8.224 -1.251 0.929 1.00 0.00 H new ATOM 0 H22 G A 1 6.898 -0.128 0.606 1.00 0.00 H new ATOM 33 P A A 2 7.637 -6.249 7.233 1.00 0.00 P ATOM 34 OP1 A A 2 8.599 -6.663 8.278 1.00 0.00 O ATOM 35 OP2 A A 2 6.184 -6.302 7.511 1.00 0.00 O ATOM 36 O5' A A 2 8.003 -4.747 6.780 1.00 0.00 O ATOM 37 C5' A A 2 9.346 -4.330 6.651 1.00 0.00 C ATOM 38 C4' A A 2 9.376 -2.873 6.183 1.00 0.00 C ATOM 39 O4' A A 2 8.678 -2.713 4.953 1.00 0.00 O ATOM 40 C3' A A 2 8.668 -1.951 7.150 1.00 0.00 C ATOM 41 O3' A A 2 9.454 -1.672 8.299 1.00 0.00 O ATOM 42 C2' A A 2 8.472 -0.741 6.276 1.00 0.00 C ATOM 43 O2' A A 2 9.688 -0.033 6.162 1.00 0.00 O ATOM 44 C1' A A 2 8.149 -1.380 4.924 1.00 0.00 C ATOM 45 N9 A A 2 6.684 -1.410 4.713 1.00 0.00 N ATOM 46 C8 A A 2 5.803 -2.450 4.882 1.00 0.00 C ATOM 47 N7 A A 2 4.564 -2.142 4.611 1.00 0.00 N ATOM 48 C5 A A 2 4.627 -0.804 4.234 1.00 0.00 C ATOM 49 C6 A A 2 3.646 0.121 3.822 1.00 0.00 C ATOM 50 N6 A A 2 2.346 -0.182 3.720 1.00 0.00 N ATOM 51 N1 A A 2 4.051 1.369 3.519 1.00 0.00 N ATOM 52 C2 A A 2 5.343 1.670 3.621 1.00 0.00 C ATOM 53 N3 A A 2 6.355 0.896 3.994 1.00 0.00 N ATOM 54 C4 A A 2 5.916 -0.350 4.291 1.00 0.00 C ATOM 0 H5' A A 2 9.870 -4.965 5.937 1.00 0.00 H new ATOM 0 H5'' A A 2 9.864 -4.429 7.605 1.00 0.00 H new ATOM 0 H4' A A 2 10.434 -2.625 6.095 1.00 0.00 H new ATOM 0 H3' A A 2 7.748 -2.354 7.574 1.00 0.00 H new ATOM 0 H2' A A 2 7.719 -0.046 6.647 1.00 0.00 H new ATOM 0 HO2' A A 2 9.557 0.753 5.592 1.00 0.00 H new ATOM 0 H1' A A 2 8.589 -0.809 4.106 1.00 0.00 H new ATOM 0 H8 A A 2 6.108 -3.433 5.209 1.00 0.00 H new ATOM 0 H61 A A 2 1.679 0.528 3.416 1.00 0.00 H new ATOM 0 H62 A A 2 2.022 -1.123 3.946 1.00 0.00 H new ATOM 0 H2 A A 2 5.605 2.686 3.365 1.00 0.00 H new ATOM 66 P G A 3 8.797 -1.006 9.617 1.00 0.00 P ATOM 67 OP1 G A 3 9.869 -0.817 10.620 1.00 0.00 O ATOM 68 OP2 G A 3 7.593 -1.791 9.971 1.00 0.00 O ATOM 69 O5' G A 3 8.315 0.446 9.122 1.00 0.00 O ATOM 70 C5' G A 3 9.239 1.495 8.914 1.00 0.00 C ATOM 71 C4' G A 3 8.479 2.712 8.388 1.00 0.00 C ATOM 72 O4' G A 3 7.787 2.386 7.189 1.00 0.00 O ATOM 73 C3' G A 3 7.415 3.184 9.342 1.00 0.00 C ATOM 74 O3' G A 3 7.959 3.944 10.411 1.00 0.00 O ATOM 75 C2' G A 3 6.595 4.037 8.402 1.00 0.00 C ATOM 76 O2' G A 3 7.219 5.289 8.214 1.00 0.00 O ATOM 77 C1' G A 3 6.665 3.261 7.090 1.00 0.00 C ATOM 78 N9 G A 3 5.414 2.501 6.918 1.00 0.00 N ATOM 79 C8 G A 3 5.158 1.173 7.144 1.00 0.00 C ATOM 80 N7 G A 3 3.915 0.833 6.936 1.00 0.00 N ATOM 81 C5 G A 3 3.304 2.023 6.550 1.00 0.00 C ATOM 82 C6 G A 3 1.947 2.291 6.199 1.00 0.00 C ATOM 83 O6 G A 3 1.002 1.507 6.146 1.00 0.00 O ATOM 84 N1 G A 3 1.755 3.634 5.891 1.00 0.00 N ATOM 85 C2 G A 3 2.741 4.597 5.907 1.00 0.00 C ATOM 86 N2 G A 3 2.380 5.838 5.574 1.00 0.00 N ATOM 87 N3 G A 3 4.010 4.348 6.227 1.00 0.00 N ATOM 88 C4 G A 3 4.218 3.046 6.539 1.00 0.00 C ATOM 0 H5' G A 3 10.005 1.189 8.201 1.00 0.00 H new ATOM 0 H5'' G A 3 9.750 1.740 9.845 1.00 0.00 H new ATOM 0 H4' G A 3 9.234 3.484 8.242 1.00 0.00 H new ATOM 0 H3' G A 3 6.863 2.392 9.849 1.00 0.00 H new ATOM 0 H2' G A 3 5.584 4.219 8.766 1.00 0.00 H new ATOM 0 HO2' G A 3 6.681 5.834 7.603 1.00 0.00 H new ATOM 0 H1' G A 3 6.780 3.919 6.229 1.00 0.00 H new ATOM 0 H8 G A 3 5.915 0.473 7.465 1.00 0.00 H new ATOM 0 H1 G A 3 0.813 3.928 5.634 1.00 0.00 H new ATOM 0 H21 G A 3 3.072 6.587 5.570 1.00 0.00 H new ATOM 0 H22 G A 3 1.412 6.037 5.323 1.00 0.00 H new ATOM 100 P G A 4 7.016 4.523 11.593 1.00 0.00 P ATOM 101 OP1 G A 4 7.895 5.032 12.669 1.00 0.00 O ATOM 102 OP2 G A 4 5.997 3.496 11.905 1.00 0.00 O ATOM 103 O5' G A 4 6.260 5.791 10.928 1.00 0.00 O ATOM 104 C5' G A 4 6.950 7.003 10.668 1.00 0.00 C ATOM 105 C4' G A 4 5.962 8.063 10.159 1.00 0.00 C ATOM 106 O4' G A 4 5.302 7.632 8.965 1.00 0.00 O ATOM 107 C3' G A 4 4.862 8.340 11.167 1.00 0.00 C ATOM 108 O3' G A 4 5.270 9.271 12.152 1.00 0.00 O ATOM 109 C2' G A 4 3.805 8.930 10.267 1.00 0.00 C ATOM 110 O2' G A 4 4.150 10.261 9.943 1.00 0.00 O ATOM 111 C1' G A 4 3.940 8.086 9.013 1.00 0.00 C ATOM 112 N9 G A 4 3.035 6.924 9.061 1.00 0.00 N ATOM 113 C8 G A 4 3.352 5.607 9.237 1.00 0.00 C ATOM 114 N7 G A 4 2.333 4.797 9.155 1.00 0.00 N ATOM 115 C5 G A 4 1.255 5.643 8.907 1.00 0.00 C ATOM 116 C6 G A 4 -0.125 5.336 8.715 1.00 0.00 C ATOM 117 O6 G A 4 -0.670 4.236 8.718 1.00 0.00 O ATOM 118 N1 G A 4 -0.881 6.485 8.506 1.00 0.00 N ATOM 119 C2 G A 4 -0.376 7.767 8.468 1.00 0.00 C ATOM 120 N2 G A 4 -1.256 8.751 8.257 1.00 0.00 N ATOM 121 N3 G A 4 0.920 8.058 8.634 1.00 0.00 N ATOM 122 C4 G A 4 1.675 6.950 8.852 1.00 0.00 C ATOM 0 H5' G A 4 7.732 6.836 9.927 1.00 0.00 H new ATOM 0 H5'' G A 4 7.440 7.355 11.575 1.00 0.00 H new ATOM 0 H4' G A 4 6.561 8.956 9.981 1.00 0.00 H new ATOM 0 H3' G A 4 4.547 7.466 11.737 1.00 0.00 H new ATOM 0 H2' G A 4 2.809 8.935 10.709 1.00 0.00 H new ATOM 0 HO2' G A 4 4.818 10.590 10.580 1.00 0.00 H new ATOM 0 H1' G A 4 3.678 8.672 8.132 1.00 0.00 H new ATOM 0 H8 G A 4 4.359 5.266 9.427 1.00 0.00 H new ATOM 0 H1 G A 4 -1.885 6.370 8.371 1.00 0.00 H new ATOM 0 H21 G A 4 -0.939 9.720 8.219 1.00 0.00 H new ATOM 0 H22 G A 4 -2.245 8.533 8.134 1.00 0.00 H new ATOM 134 P U A 5 4.490 9.386 13.557 1.00 0.00 P ATOM 135 OP1 U A 5 4.948 10.617 14.239 1.00 0.00 O ATOM 136 OP2 U A 5 4.604 8.081 14.244 1.00 0.00 O ATOM 137 O5' U A 5 2.947 9.587 13.136 1.00 0.00 O ATOM 138 C5' U A 5 2.460 10.824 12.659 1.00 0.00 C ATOM 139 C4' U A 5 0.943 10.719 12.442 1.00 0.00 C ATOM 140 O4' U A 5 0.569 9.851 11.371 1.00 0.00 O ATOM 141 C3' U A 5 0.234 10.236 13.671 1.00 0.00 C ATOM 142 O3' U A 5 0.092 11.289 14.608 1.00 0.00 O ATOM 143 C2' U A 5 -1.080 9.821 13.064 1.00 0.00 C ATOM 144 O2' U A 5 -1.882 10.958 12.812 1.00 0.00 O ATOM 145 C1' U A 5 -0.660 9.203 11.738 1.00 0.00 C ATOM 146 N1 U A 5 -0.398 7.751 11.869 1.00 0.00 N ATOM 147 C2 U A 5 -1.441 6.861 11.634 1.00 0.00 C ATOM 148 O2 U A 5 -2.591 7.233 11.399 1.00 0.00 O ATOM 149 N3 U A 5 -1.112 5.515 11.675 1.00 0.00 N ATOM 150 C4 U A 5 0.148 4.990 11.922 1.00 0.00 C ATOM 151 O4 U A 5 0.327 3.776 11.942 1.00 0.00 O ATOM 152 C5 U A 5 1.170 5.990 12.135 1.00 0.00 C ATOM 153 C6 U A 5 0.868 7.308 12.099 1.00 0.00 C ATOM 0 H5' U A 5 2.956 11.088 11.725 1.00 0.00 H new ATOM 0 H5'' U A 5 2.683 11.616 13.373 1.00 0.00 H new ATOM 0 H4' U A 5 0.644 11.737 12.192 1.00 0.00 H new ATOM 0 H3' U A 5 0.734 9.446 14.232 1.00 0.00 H new ATOM 0 H2' U A 5 -1.656 9.153 13.705 1.00 0.00 H new ATOM 0 HO2' U A 5 -1.642 11.673 13.438 1.00 0.00 H new ATOM 0 H1' U A 5 -1.452 9.332 11.000 1.00 0.00 H new ATOM 0 H3 U A 5 -1.866 4.849 11.508 1.00 0.00 H new ATOM 0 H5 U A 5 2.187 5.681 12.325 1.00 0.00 H new ATOM 0 H6 U A 5 1.655 8.030 12.258 1.00 0.00 H new ATOM 164 P C A 6 -0.494 11.016 16.074 1.00 0.00 P ATOM 165 OP1 C A 6 -0.525 12.298 16.813 1.00 0.00 O ATOM 166 OP2 C A 6 0.220 9.852 16.644 1.00 0.00 O ATOM 167 O5' C A 6 -2.002 10.581 15.759 1.00 0.00 O ATOM 168 C5' C A 6 -2.639 9.613 16.548 1.00 0.00 C ATOM 169 C4' C A 6 -3.971 9.228 15.916 1.00 0.00 C ATOM 170 O4' C A 6 -3.786 8.749 14.577 1.00 0.00 O ATOM 171 C3' C A 6 -4.583 8.089 16.701 1.00 0.00 C ATOM 172 O3' C A 6 -5.386 8.555 17.767 1.00 0.00 O ATOM 173 C2' C A 6 -5.388 7.387 15.643 1.00 0.00 C ATOM 174 O2' C A 6 -6.583 8.096 15.390 1.00 0.00 O ATOM 175 C1' C A 6 -4.472 7.504 14.431 1.00 0.00 C ATOM 176 N1 C A 6 -3.500 6.380 14.408 1.00 0.00 N ATOM 177 C2 C A 6 -4.009 5.109 14.179 1.00 0.00 C ATOM 178 O2 C A 6 -5.207 4.955 13.954 1.00 0.00 O ATOM 179 N3 C A 6 -3.152 4.052 14.214 1.00 0.00 N ATOM 180 C4 C A 6 -1.848 4.231 14.464 1.00 0.00 C ATOM 181 N4 C A 6 -1.045 3.164 14.504 1.00 0.00 N ATOM 182 C5 C A 6 -1.300 5.539 14.659 1.00 0.00 C ATOM 183 C6 C A 6 -2.158 6.581 14.609 1.00 0.00 C ATOM 0 H5' C A 6 -2.802 10.000 17.554 1.00 0.00 H new ATOM 0 H5'' C A 6 -2.003 8.733 16.644 1.00 0.00 H new ATOM 0 H4' C A 6 -4.606 10.114 15.916 1.00 0.00 H new ATOM 0 H3' C A 6 -3.852 7.445 17.191 1.00 0.00 H new ATOM 0 H2' C A 6 -5.671 6.368 15.907 1.00 0.00 H new ATOM 0 HO2' C A 6 -6.785 8.679 16.152 1.00 0.00 H new ATOM 0 H1' C A 6 -5.035 7.464 13.499 1.00 0.00 H new ATOM 0 H41 C A 6 -0.050 3.282 14.693 1.00 0.00 H new ATOM 0 H42 C A 6 -1.427 2.232 14.346 1.00 0.00 H new ATOM 0 H5 C A 6 -0.245 5.686 14.838 1.00 0.00 H new ATOM 0 H6 C A 6 -1.782 7.586 14.729 1.00 0.00 H new ATOM 195 P U A 7 -5.647 7.638 19.063 1.00 0.00 P ATOM 196 OP1 U A 7 -6.593 8.350 19.949 1.00 0.00 O ATOM 197 OP2 U A 7 -4.331 7.211 19.588 1.00 0.00 O ATOM 198 O5' U A 7 -6.390 6.339 18.475 1.00 0.00 O ATOM 199 C5' U A 7 -7.742 6.390 18.072 1.00 0.00 C ATOM 200 C4' U A 7 -8.199 4.981 17.693 1.00 0.00 C ATOM 201 O4' U A 7 -7.458 4.467 16.582 1.00 0.00 O ATOM 202 C3' U A 7 -7.962 3.997 18.822 1.00 0.00 C ATOM 203 O3' U A 7 -8.944 4.074 19.837 1.00 0.00 O ATOM 204 C2' U A 7 -8.041 2.707 18.058 1.00 0.00 C ATOM 205 O2' U A 7 -9.387 2.424 17.737 1.00 0.00 O ATOM 206 C1' U A 7 -7.300 3.050 16.774 1.00 0.00 C ATOM 207 N1 U A 7 -5.860 2.689 16.878 1.00 0.00 N ATOM 208 C2 U A 7 -5.543 1.340 16.811 1.00 0.00 C ATOM 209 O2 U A 7 -6.405 0.470 16.712 1.00 0.00 O ATOM 210 N3 U A 7 -4.198 1.022 16.856 1.00 0.00 N ATOM 211 C4 U A 7 -3.149 1.920 16.951 1.00 0.00 C ATOM 212 O4 U A 7 -1.988 1.518 16.988 1.00 0.00 O ATOM 213 C5 U A 7 -3.562 3.308 16.991 1.00 0.00 C ATOM 214 C6 U A 7 -4.874 3.646 16.951 1.00 0.00 C ATOM 0 H5' U A 7 -7.857 7.065 17.224 1.00 0.00 H new ATOM 0 H5'' U A 7 -8.361 6.783 18.878 1.00 0.00 H new ATOM 0 H4' U A 7 -9.259 5.075 17.458 1.00 0.00 H new ATOM 0 H3' U A 7 -7.035 4.157 19.372 1.00 0.00 H new ATOM 0 H2' U A 7 -7.641 1.851 18.602 1.00 0.00 H new ATOM 0 HO2' U A 7 -9.434 1.582 17.237 1.00 0.00 H new ATOM 0 H1' U A 7 -7.701 2.490 15.929 1.00 0.00 H new ATOM 0 H3 U A 7 -3.956 0.032 16.815 1.00 0.00 H new ATOM 0 H5 U A 7 -2.814 4.084 17.054 1.00 0.00 H new ATOM 0 H6 U A 7 -5.152 4.689 16.977 1.00 0.00 H new ATOM 225 P C A 8 -8.729 3.321 21.252 1.00 0.00 P ATOM 226 OP1 C A 8 -9.924 3.564 22.089 1.00 0.00 O ATOM 227 OP2 C A 8 -7.390 3.688 21.762 1.00 0.00 O ATOM 228 O5' C A 8 -8.700 1.754 20.866 1.00 0.00 O ATOM 229 C5' C A 8 -9.888 1.058 20.552 1.00 0.00 C ATOM 230 C4' C A 8 -9.565 -0.416 20.287 1.00 0.00 C ATOM 231 O4' C A 8 -8.649 -0.575 19.209 1.00 0.00 O ATOM 232 C3' C A 8 -8.882 -1.073 21.465 1.00 0.00 C ATOM 233 O3' C A 8 -9.779 -1.383 22.510 1.00 0.00 O ATOM 234 C2' C A 8 -8.327 -2.309 20.818 1.00 0.00 C ATOM 235 O2' C A 8 -9.352 -3.266 20.642 1.00 0.00 O ATOM 236 C1' C A 8 -7.888 -1.773 19.455 1.00 0.00 C ATOM 237 N1 C A 8 -6.430 -1.476 19.487 1.00 0.00 N ATOM 238 C2 C A 8 -5.554 -2.554 19.423 1.00 0.00 C ATOM 239 O2 C A 8 -5.989 -3.699 19.319 1.00 0.00 O ATOM 240 N3 C A 8 -4.215 -2.304 19.478 1.00 0.00 N ATOM 241 C4 C A 8 -3.753 -1.051 19.596 1.00 0.00 C ATOM 242 N4 C A 8 -2.432 -0.849 19.634 1.00 0.00 N ATOM 243 C5 C A 8 -4.644 0.067 19.675 1.00 0.00 C ATOM 244 C6 C A 8 -5.966 -0.197 19.613 1.00 0.00 C ATOM 0 H5' C A 8 -10.360 1.501 19.675 1.00 0.00 H new ATOM 0 H5'' C A 8 -10.599 1.143 21.374 1.00 0.00 H new ATOM 0 H4' C A 8 -10.532 -0.871 20.074 1.00 0.00 H new ATOM 0 H3' C A 8 -8.138 -0.442 21.952 1.00 0.00 H new ATOM 0 H2' C A 8 -7.537 -2.795 21.390 1.00 0.00 H new ATOM 0 HO2' C A 8 -10.027 -3.156 21.344 1.00 0.00 H new ATOM 0 HO3' C A 8 -9.290 -1.807 23.246 1.00 0.00 H new ATOM 0 H1' C A 8 -8.063 -2.500 18.662 1.00 0.00 H new ATOM 0 H41 C A 8 -2.063 0.098 19.723 1.00 0.00 H new ATOM 0 H42 C A 8 -1.793 -1.642 19.574 1.00 0.00 H new ATOM 0 H5 C A 8 -4.275 1.076 19.780 1.00 0.00 H new ATOM 0 H6 C A 8 -6.671 0.619 19.664 1.00 0.00 H new TER 257 C A 8 ATOM 258 O5' G B 9 3.775 -10.989 17.694 1.00 0.00 O ATOM 259 C5' G B 9 3.130 -10.224 16.698 1.00 0.00 C ATOM 260 C4' G B 9 1.629 -10.178 16.980 1.00 0.00 C ATOM 261 O4' G B 9 1.352 -9.473 18.190 1.00 0.00 O ATOM 262 C3' G B 9 0.879 -9.418 15.905 1.00 0.00 C ATOM 263 O3' G B 9 0.664 -10.192 14.741 1.00 0.00 O ATOM 264 C2' G B 9 -0.408 -9.126 16.635 1.00 0.00 C ATOM 265 O2' G B 9 -1.209 -10.289 16.690 1.00 0.00 O ATOM 266 C1' G B 9 0.089 -8.808 18.037 1.00 0.00 C ATOM 267 N9 G B 9 0.270 -7.350 18.171 1.00 0.00 N ATOM 268 C8 G B 9 1.401 -6.602 17.988 1.00 0.00 C ATOM 269 N7 G B 9 1.230 -5.324 18.182 1.00 0.00 N ATOM 270 C5 G B 9 -0.119 -5.214 18.509 1.00 0.00 C ATOM 271 C6 G B 9 -0.897 -4.060 18.818 1.00 0.00 C ATOM 272 O6 G B 9 -0.532 -2.888 18.882 1.00 0.00 O ATOM 273 N1 G B 9 -2.226 -4.389 19.060 1.00 0.00 N ATOM 274 C2 G B 9 -2.745 -5.666 19.022 1.00 0.00 C ATOM 275 N2 G B 9 -4.050 -5.794 19.277 1.00 0.00 N ATOM 276 N3 G B 9 -2.016 -6.751 18.743 1.00 0.00 N ATOM 277 C4 G B 9 -0.716 -6.451 18.495 1.00 0.00 C ATOM 0 H5' G B 9 3.313 -10.659 15.715 1.00 0.00 H new ATOM 0 H5'' G B 9 3.538 -9.213 16.680 1.00 0.00 H new ATOM 0 H4' G B 9 1.312 -11.220 17.030 1.00 0.00 H new ATOM 0 H3' G B 9 1.403 -8.541 15.525 1.00 0.00 H new ATOM 0 H2' G B 9 -1.005 -8.340 16.171 1.00 0.00 H new ATOM 0 HO2' G B 9 -2.042 -10.090 17.167 1.00 0.00 H new ATOM 0 HO5' G B 9 4.737 -11.019 17.511 1.00 0.00 H new ATOM 0 H1' G B 9 -0.619 -9.139 18.796 1.00 0.00 H new ATOM 0 H8 G B 9 2.351 -7.032 17.708 1.00 0.00 H new ATOM 0 H1 G B 9 -2.866 -3.627 19.283 1.00 0.00 H new ATOM 0 H21 G B 9 -4.485 -6.717 19.262 1.00 0.00 H new ATOM 0 H22 G B 9 -4.612 -4.969 19.487 1.00 0.00 H new ATOM 290 P A B 10 0.205 -9.493 13.358 1.00 0.00 P ATOM 291 OP1 A B 10 -0.008 -10.558 12.353 1.00 0.00 O ATOM 292 OP2 A B 10 1.153 -8.394 13.072 1.00 0.00 O ATOM 293 O5' A B 10 -1.227 -8.838 13.706 1.00 0.00 O ATOM 294 C5' A B 10 -2.390 -9.635 13.810 1.00 0.00 C ATOM 295 C4' A B 10 -3.583 -8.741 14.162 1.00 0.00 C ATOM 296 O4' A B 10 -3.355 -8.029 15.372 1.00 0.00 O ATOM 297 C3' A B 10 -3.815 -7.667 13.123 1.00 0.00 C ATOM 298 O3' A B 10 -4.450 -8.171 11.959 1.00 0.00 O ATOM 299 C2' A B 10 -4.699 -6.727 13.898 1.00 0.00 C ATOM 300 O2' A B 10 -6.011 -7.243 13.958 1.00 0.00 O ATOM 301 C1' A B 10 -4.082 -6.795 15.294 1.00 0.00 C ATOM 302 N9 A B 10 -3.172 -5.646 15.501 1.00 0.00 N ATOM 303 C8 A B 10 -1.802 -5.602 15.435 1.00 0.00 C ATOM 304 N7 A B 10 -1.299 -4.420 15.668 1.00 0.00 N ATOM 305 C5 A B 10 -2.415 -3.623 15.904 1.00 0.00 C ATOM 306 C6 A B 10 -2.568 -2.257 16.212 1.00 0.00 C ATOM 307 N6 A B 10 -1.538 -1.411 16.344 1.00 0.00 N ATOM 308 N1 A B 10 -3.820 -1.791 16.380 1.00 0.00 N ATOM 309 C2 A B 10 -4.844 -2.629 16.250 1.00 0.00 C ATOM 310 N3 A B 10 -4.832 -3.925 15.967 1.00 0.00 N ATOM 311 C4 A B 10 -3.561 -4.364 15.803 1.00 0.00 C ATOM 0 H5' A B 10 -2.254 -10.399 14.575 1.00 0.00 H new ATOM 0 H5'' A B 10 -2.575 -10.155 12.870 1.00 0.00 H new ATOM 0 H4' A B 10 -4.433 -9.420 14.234 1.00 0.00 H new ATOM 0 H3' A B 10 -2.906 -7.212 12.730 1.00 0.00 H new ATOM 0 H2' A B 10 -4.758 -5.726 13.471 1.00 0.00 H new ATOM 0 HO2' A B 10 -6.582 -6.628 14.464 1.00 0.00 H new ATOM 0 H1' A B 10 -4.851 -6.753 16.065 1.00 0.00 H new ATOM 0 H8 A B 10 -1.195 -6.467 15.211 1.00 0.00 H new ATOM 0 H61 A B 10 -1.709 -0.431 16.568 1.00 0.00 H new ATOM 0 H62 A B 10 -0.583 -1.747 16.220 1.00 0.00 H new ATOM 0 H2 A B 10 -5.822 -2.194 16.395 1.00 0.00 H new ATOM 323 P G B 11 -4.491 -7.309 10.593 1.00 0.00 P ATOM 324 OP1 G B 11 -5.248 -8.083 9.583 1.00 0.00 O ATOM 325 OP2 G B 11 -3.111 -6.867 10.294 1.00 0.00 O ATOM 326 O5' G B 11 -5.357 -6.007 10.975 1.00 0.00 O ATOM 327 C5' G B 11 -6.765 -6.068 11.092 1.00 0.00 C ATOM 328 C4' G B 11 -7.281 -4.683 11.484 1.00 0.00 C ATOM 329 O4' G B 11 -6.696 -4.257 12.709 1.00 0.00 O ATOM 330 C3' G B 11 -6.907 -3.628 10.478 1.00 0.00 C ATOM 331 O3' G B 11 -7.743 -3.670 9.331 1.00 0.00 O ATOM 332 C2' G B 11 -7.148 -2.393 11.314 1.00 0.00 C ATOM 333 O2' G B 11 -8.531 -2.123 11.385 1.00 0.00 O ATOM 334 C1' G B 11 -6.671 -2.829 12.697 1.00 0.00 C ATOM 335 N9 G B 11 -5.301 -2.330 12.912 1.00 0.00 N ATOM 336 C8 G B 11 -4.106 -3.000 12.837 1.00 0.00 C ATOM 337 N7 G B 11 -3.064 -2.245 13.051 1.00 0.00 N ATOM 338 C5 G B 11 -3.606 -0.983 13.278 1.00 0.00 C ATOM 339 C6 G B 11 -2.962 0.258 13.562 1.00 0.00 C ATOM 340 O6 G B 11 -1.761 0.484 13.685 1.00 0.00 O ATOM 341 N1 G B 11 -3.883 1.291 13.704 1.00 0.00 N ATOM 342 C2 G B 11 -5.250 1.151 13.597 1.00 0.00 C ATOM 343 N2 G B 11 -5.984 2.254 13.764 1.00 0.00 N ATOM 344 N3 G B 11 -5.856 -0.010 13.341 1.00 0.00 N ATOM 345 C4 G B 11 -4.975 -1.029 13.192 1.00 0.00 C ATOM 0 H5' G B 11 -7.051 -6.805 11.843 1.00 0.00 H new ATOM 0 H5'' G B 11 -7.210 -6.385 10.149 1.00 0.00 H new ATOM 0 H4' G B 11 -8.364 -4.786 11.553 1.00 0.00 H new ATOM 0 H3' G B 11 -5.904 -3.715 10.061 1.00 0.00 H new ATOM 0 H2' G B 11 -6.653 -1.505 10.921 1.00 0.00 H new ATOM 0 HO2' G B 11 -8.680 -1.322 11.929 1.00 0.00 H new ATOM 0 H1' G B 11 -7.304 -2.432 13.491 1.00 0.00 H new ATOM 0 H8 G B 11 -4.035 -4.056 12.621 1.00 0.00 H new ATOM 0 H1 G B 11 -3.519 2.223 13.902 1.00 0.00 H new ATOM 0 H21 G B 11 -7.001 2.205 13.695 1.00 0.00 H new ATOM 0 H22 G B 11 -5.528 3.145 13.961 1.00 0.00 H new ATOM 357 P G B 12 -7.524 -2.648 8.096 1.00 0.00 P ATOM 358 OP1 G B 12 -8.355 -3.115 6.965 1.00 0.00 O ATOM 359 OP2 G B 12 -6.068 -2.467 7.909 1.00 0.00 O ATOM 360 O5' G B 12 -8.139 -1.246 8.619 1.00 0.00 O ATOM 361 C5' G B 12 -9.539 -1.064 8.750 1.00 0.00 C ATOM 362 C4' G B 12 -9.836 0.391 9.142 1.00 0.00 C ATOM 363 O4' G B 12 -9.207 0.740 10.378 1.00 0.00 O ATOM 364 C3' G B 12 -9.307 1.371 8.110 1.00 0.00 C ATOM 365 O3' G B 12 -10.207 1.538 7.031 1.00 0.00 O ATOM 366 C2' G B 12 -9.212 2.628 8.940 1.00 0.00 C ATOM 367 O2' G B 12 -10.499 3.186 9.111 1.00 0.00 O ATOM 368 C1' G B 12 -8.733 2.095 10.279 1.00 0.00 C ATOM 369 N9 G B 12 -7.259 2.107 10.350 1.00 0.00 N ATOM 370 C8 G B 12 -6.396 1.051 10.267 1.00 0.00 C ATOM 371 N7 G B 12 -5.142 1.372 10.430 1.00 0.00 N ATOM 372 C5 G B 12 -5.174 2.748 10.637 1.00 0.00 C ATOM 373 C6 G B 12 -4.107 3.663 10.881 1.00 0.00 C ATOM 374 O6 G B 12 -2.906 3.425 10.975 1.00 0.00 O ATOM 375 N1 G B 12 -4.570 4.967 11.014 1.00 0.00 N ATOM 376 C2 G B 12 -5.894 5.346 10.946 1.00 0.00 C ATOM 377 N2 G B 12 -6.152 6.650 11.100 1.00 0.00 N ATOM 378 N3 G B 12 -6.900 4.489 10.733 1.00 0.00 N ATOM 379 C4 G B 12 -6.468 3.210 10.583 1.00 0.00 C ATOM 0 H5' G B 12 -9.935 -1.743 9.506 1.00 0.00 H new ATOM 0 H5'' G B 12 -10.037 -1.307 7.811 1.00 0.00 H new ATOM 0 H4' G B 12 -10.921 0.455 9.220 1.00 0.00 H new ATOM 0 H3' G B 12 -8.375 1.062 7.637 1.00 0.00 H new ATOM 0 H2' G B 12 -8.573 3.394 8.500 1.00 0.00 H new ATOM 0 HO2' G B 12 -11.089 2.872 8.395 1.00 0.00 H new ATOM 0 H1' G B 12 -9.110 2.715 11.093 1.00 0.00 H new ATOM 0 H8 G B 12 -6.723 0.039 10.082 1.00 0.00 H new ATOM 0 H1 G B 12 -3.878 5.699 11.174 1.00 0.00 H new ATOM 0 H21 G B 12 -7.114 6.988 11.059 1.00 0.00 H new ATOM 0 H22 G B 12 -5.387 7.306 11.258 1.00 0.00 H new ATOM 391 P U B 13 -9.696 2.094 5.607 1.00 0.00 P ATOM 392 OP1 U B 13 -10.884 2.430 4.790 1.00 0.00 O ATOM 393 OP2 U B 13 -8.693 1.142 5.084 1.00 0.00 O ATOM 394 O5' U B 13 -8.933 3.464 5.975 1.00 0.00 O ATOM 395 C5' U B 13 -9.638 4.648 6.278 1.00 0.00 C ATOM 396 C4' U B 13 -8.636 5.784 6.541 1.00 0.00 C ATOM 397 O4' U B 13 -7.890 5.618 7.754 1.00 0.00 O ATOM 398 C3' U B 13 -7.617 5.917 5.442 1.00 0.00 C ATOM 399 O3' U B 13 -8.141 6.551 4.290 1.00 0.00 O ATOM 400 C2' U B 13 -6.616 6.780 6.160 1.00 0.00 C ATOM 401 O2' U B 13 -7.105 8.100 6.281 1.00 0.00 O ATOM 402 C1' U B 13 -6.568 6.144 7.528 1.00 0.00 C ATOM 403 N1 U B 13 -5.590 5.032 7.557 1.00 0.00 N ATOM 404 C2 U B 13 -4.266 5.314 7.877 1.00 0.00 C ATOM 405 O2 U B 13 -3.867 6.458 8.092 1.00 0.00 O ATOM 406 N3 U B 13 -3.412 4.225 7.946 1.00 0.00 N ATOM 407 C4 U B 13 -3.760 2.900 7.725 1.00 0.00 C ATOM 408 O4 U B 13 -2.920 2.009 7.817 1.00 0.00 O ATOM 409 C5 U B 13 -5.153 2.706 7.395 1.00 0.00 C ATOM 410 C6 U B 13 -6.002 3.757 7.326 1.00 0.00 C ATOM 0 H5' U B 13 -10.269 4.495 7.153 1.00 0.00 H new ATOM 0 H5'' U B 13 -10.297 4.914 5.452 1.00 0.00 H new ATOM 0 H4' U B 13 -9.267 6.670 6.605 1.00 0.00 H new ATOM 0 H3' U B 13 -7.232 4.977 5.045 1.00 0.00 H new ATOM 0 H2' U B 13 -5.652 6.840 5.654 1.00 0.00 H new ATOM 0 HO2' U B 13 -7.845 8.233 5.653 1.00 0.00 H new ATOM 0 H1' U B 13 -6.267 6.866 8.287 1.00 0.00 H new ATOM 0 H3 U B 13 -2.438 4.415 8.181 1.00 0.00 H new ATOM 0 H5 U B 13 -5.521 1.709 7.201 1.00 0.00 H new ATOM 0 H6 U B 13 -7.038 3.578 7.080 1.00 0.00 H new ATOM 421 P C B 14 -7.361 6.468 2.880 1.00 0.00 P ATOM 422 OP1 C B 14 -8.066 7.334 1.909 1.00 0.00 O ATOM 423 OP2 C B 14 -7.140 5.040 2.565 1.00 0.00 O ATOM 424 O5' C B 14 -5.933 7.133 3.201 1.00 0.00 O ATOM 425 C5' C B 14 -5.796 8.528 3.347 1.00 0.00 C ATOM 426 C4' C B 14 -4.354 8.855 3.736 1.00 0.00 C ATOM 427 O4' C B 14 -3.991 8.256 4.981 1.00 0.00 O ATOM 428 C3' C B 14 -3.349 8.330 2.731 1.00 0.00 C ATOM 429 O3' C B 14 -3.260 9.136 1.574 1.00 0.00 O ATOM 430 C2' C B 14 -2.094 8.396 3.563 1.00 0.00 C ATOM 431 O2' C B 14 -1.660 9.736 3.682 1.00 0.00 O ATOM 432 C1' C B 14 -2.595 7.922 4.922 1.00 0.00 C ATOM 433 N1 C B 14 -2.399 6.455 5.041 1.00 0.00 N ATOM 434 C2 C B 14 -1.115 6.015 5.327 1.00 0.00 C ATOM 435 O2 C B 14 -0.215 6.827 5.517 1.00 0.00 O ATOM 436 N3 C B 14 -0.888 4.674 5.387 1.00 0.00 N ATOM 437 C4 C B 14 -1.877 3.798 5.169 1.00 0.00 C ATOM 438 N4 C B 14 -1.605 2.490 5.227 1.00 0.00 N ATOM 439 C5 C B 14 -3.211 4.236 4.886 1.00 0.00 C ATOM 440 C6 C B 14 -3.424 5.569 4.839 1.00 0.00 C ATOM 0 H5' C B 14 -6.483 8.895 4.110 1.00 0.00 H new ATOM 0 H5'' C B 14 -6.057 9.030 2.415 1.00 0.00 H new ATOM 0 H4' C B 14 -4.325 9.943 3.787 1.00 0.00 H new ATOM 0 H3' C B 14 -3.587 7.347 2.325 1.00 0.00 H new ATOM 0 H2' C B 14 -1.265 7.820 3.152 1.00 0.00 H new ATOM 0 HO2' C B 14 -2.101 10.284 3.000 1.00 0.00 H new ATOM 0 H1' C B 14 -2.052 8.394 5.741 1.00 0.00 H new ATOM 0 H41 C B 14 -2.345 1.807 5.064 1.00 0.00 H new ATOM 0 H42 C B 14 -0.657 2.175 5.434 1.00 0.00 H new ATOM 0 H5 C B 14 -4.012 3.531 4.718 1.00 0.00 H new ATOM 0 H6 C B 14 -4.418 5.942 4.639 1.00 0.00 H new ATOM 452 P U B 15 -2.537 8.583 0.239 1.00 0.00 P ATOM 453 OP1 U B 15 -2.556 9.661 -0.774 1.00 0.00 O ATOM 454 OP2 U B 15 -3.129 7.265 -0.083 1.00 0.00 O ATOM 455 O5' U B 15 -1.006 8.343 0.687 1.00 0.00 O ATOM 456 C5' U B 15 -0.120 9.429 0.862 1.00 0.00 C ATOM 457 C4' U B 15 1.279 8.901 1.196 1.00 0.00 C ATOM 458 O4' U B 15 1.287 8.126 2.400 1.00 0.00 O ATOM 459 C3' U B 15 1.807 7.966 0.128 1.00 0.00 C ATOM 460 O3' U B 15 2.280 8.644 -1.020 1.00 0.00 O ATOM 461 C2' U B 15 2.928 7.314 0.891 1.00 0.00 C ATOM 462 O2' U B 15 4.019 8.205 1.000 1.00 0.00 O ATOM 463 C1' U B 15 2.318 7.126 2.271 1.00 0.00 C ATOM 464 N1 U B 15 1.756 5.755 2.413 1.00 0.00 N ATOM 465 C2 U B 15 2.657 4.723 2.642 1.00 0.00 C ATOM 466 O2 U B 15 3.869 4.914 2.706 1.00 0.00 O ATOM 467 N3 U B 15 2.117 3.458 2.797 1.00 0.00 N ATOM 468 C4 U B 15 0.773 3.133 2.740 1.00 0.00 C ATOM 469 O4 U B 15 0.407 1.969 2.881 1.00 0.00 O ATOM 470 C5 U B 15 -0.099 4.266 2.512 1.00 0.00 C ATOM 471 C6 U B 15 0.404 5.516 2.361 1.00 0.00 C ATOM 0 H5' U B 15 -0.476 10.077 1.663 1.00 0.00 H new ATOM 0 H5'' U B 15 -0.085 10.033 -0.045 1.00 0.00 H new ATOM 0 H4' U B 15 1.894 9.796 1.287 1.00 0.00 H new ATOM 0 H3' U B 15 1.059 7.287 -0.282 1.00 0.00 H new ATOM 0 H2' U B 15 3.292 6.398 0.426 1.00 0.00 H new ATOM 0 HO2' U B 15 4.744 7.774 1.499 1.00 0.00 H new ATOM 0 H1' U B 15 3.067 7.239 3.054 1.00 0.00 H new ATOM 0 H3 U B 15 2.771 2.694 2.969 1.00 0.00 H new ATOM 0 H5 U B 15 -1.167 4.113 2.461 1.00 0.00 H new ATOM 0 H6 U B 15 -0.273 6.342 2.196 1.00 0.00 H new ATOM 482 P C B 16 2.647 7.827 -2.368 1.00 0.00 P ATOM 483 OP1 C B 16 3.128 8.796 -3.378 1.00 0.00 O ATOM 484 OP2 C B 16 1.505 6.943 -2.688 1.00 0.00 O ATOM 485 O5' C B 16 3.893 6.892 -1.940 1.00 0.00 O ATOM 486 C5' C B 16 5.193 7.428 -1.801 1.00 0.00 C ATOM 487 C4' C B 16 6.176 6.312 -1.433 1.00 0.00 C ATOM 488 O4' C B 16 5.831 5.678 -0.205 1.00 0.00 O ATOM 489 C3' C B 16 6.183 5.189 -2.445 1.00 0.00 C ATOM 490 O3' C B 16 6.871 5.526 -3.631 1.00 0.00 O ATOM 491 C2' C B 16 6.902 4.127 -1.665 1.00 0.00 C ATOM 492 O2' C B 16 8.283 4.415 -1.641 1.00 0.00 O ATOM 493 C1' C B 16 6.315 4.323 -0.267 1.00 0.00 C ATOM 494 N1 C B 16 5.202 3.358 -0.056 1.00 0.00 N ATOM 495 C2 C B 16 5.540 2.043 0.244 1.00 0.00 C ATOM 496 O2 C B 16 6.719 1.716 0.353 1.00 0.00 O ATOM 497 N3 C B 16 4.533 1.138 0.408 1.00 0.00 N ATOM 498 C4 C B 16 3.250 1.505 0.282 1.00 0.00 C ATOM 499 N4 C B 16 2.293 0.589 0.461 1.00 0.00 N ATOM 500 C5 C B 16 2.888 2.854 -0.033 1.00 0.00 C ATOM 501 C6 C B 16 3.896 3.738 -0.189 1.00 0.00 C ATOM 0 H5' C B 16 5.198 8.199 -1.030 1.00 0.00 H new ATOM 0 H5'' C B 16 5.501 7.905 -2.731 1.00 0.00 H new ATOM 0 H4' C B 16 7.141 6.816 -1.381 1.00 0.00 H new ATOM 0 H3' C B 16 5.193 4.907 -2.804 1.00 0.00 H new ATOM 0 H2' C B 16 6.790 3.119 -2.064 1.00 0.00 H new ATOM 0 HO2' C B 16 8.500 5.039 -2.365 1.00 0.00 H new ATOM 0 HO3' C B 16 6.847 4.767 -4.250 1.00 0.00 H new ATOM 0 H1' C B 16 7.060 4.148 0.509 1.00 0.00 H new ATOM 0 H41 C B 16 1.312 0.852 0.369 1.00 0.00 H new ATOM 0 H42 C B 16 2.544 -0.373 0.690 1.00 0.00 H new ATOM 0 H5 C B 16 1.855 3.151 -0.141 1.00 0.00 H new ATOM 0 H6 C B 16 3.666 4.767 -0.424 1.00 0.00 H new TER 514 C B 16