USER MOD reduce.3.24.130724 H: found=0, std=0, add=152, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 170 hydrogens (18 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 -15:sc= 0.35 USER MOD Single : A 1 G O5' : rot 180:sc= 0 USER MOD Single : A 2 G O2' : rot -11:sc= -0.511 USER MOD Single : A 3 G O2' : rot -18:sc= 0.314 USER MOD Single : A 4 U O2' : rot -29:sc= 0.295 USER MOD Single : A 5 C O2' : rot -18:sc= 0.168 USER MOD Single : A 6 U O2' : rot 161:sc= 0.283 USER MOD Single : A 7 U O2' : rot -152:sc= -1.61! USER MOD Single : A 8 C O2' : rot 30:sc= 0.194 USER MOD Single : A 9 G O2' : rot -24:sc= 0.297 USER MOD Single : A 10 G O2' : rot 4:sc= -1.6! USER MOD Single : A 11 G O2' : rot -35:sc= 0.263 USER MOD Single : A 12 U O2' : rot -22:sc= 0.31 USER MOD Single : A 13 C O2' : rot -28:sc= 0.317 USER MOD Single : A 14 C O2' : rot -19:sc= 0.125 USER MOD Single : A 14 C O3' : rot 180:sc= 0.134 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 8.902 -5.044 4.600 1.00 0.00 O ATOM 2 C5' G A 1 10.082 -5.562 3.977 1.00 0.00 C ATOM 3 C4' G A 1 9.764 -6.273 2.664 1.00 0.00 C ATOM 4 O4' G A 1 8.836 -7.326 2.902 1.00 0.00 O ATOM 5 C3' G A 1 9.072 -5.411 1.625 1.00 0.00 C ATOM 6 O3' G A 1 10.093 -4.777 0.844 1.00 0.00 O ATOM 7 C2' G A 1 8.377 -6.440 0.743 1.00 0.00 C ATOM 8 O2' G A 1 9.291 -6.979 -0.221 1.00 0.00 O ATOM 9 C1' G A 1 7.978 -7.511 1.762 1.00 0.00 C ATOM 10 N9 G A 1 6.605 -7.322 2.241 1.00 0.00 N ATOM 11 C8 G A 1 6.216 -6.793 3.435 1.00 0.00 C ATOM 12 N7 G A 1 4.921 -6.736 3.589 1.00 0.00 N ATOM 13 C5 G A 1 4.423 -7.264 2.402 1.00 0.00 C ATOM 14 C6 G A 1 3.080 -7.460 1.979 1.00 0.00 C ATOM 15 O6 G A 1 2.042 -7.200 2.582 1.00 0.00 O ATOM 16 N1 G A 1 3.020 -8.019 0.718 1.00 0.00 N ATOM 17 C2 G A 1 4.107 -8.352 -0.050 1.00 0.00 C ATOM 18 N2 G A 1 3.862 -8.875 -1.244 1.00 0.00 N ATOM 19 N3 G A 1 5.370 -8.177 0.328 1.00 0.00 N ATOM 20 C4 G A 1 5.452 -7.628 1.565 1.00 0.00 C ATOM 0 H5' G A 1 10.577 -6.257 4.656 1.00 0.00 H new ATOM 0 H5'' G A 1 10.781 -4.747 3.789 1.00 0.00 H new ATOM 0 H4' G A 1 10.738 -6.592 2.293 1.00 0.00 H new ATOM 0 H3' G A 1 8.402 -4.657 2.038 1.00 0.00 H new ATOM 0 H2' G A 1 7.541 -6.039 0.169 1.00 0.00 H new ATOM 0 HO2' G A 1 10.086 -6.408 -0.273 1.00 0.00 H new ATOM 0 HO5' G A 1 9.144 -4.597 5.438 1.00 0.00 H new ATOM 0 H1' G A 1 8.059 -8.493 1.296 1.00 0.00 H new ATOM 0 H8 G A 1 6.915 -6.452 4.185 1.00 0.00 H new ATOM 0 H1 G A 1 2.095 -8.198 0.327 1.00 0.00 H new ATOM 0 H21 G A 1 4.636 -9.139 -1.853 1.00 0.00 H new ATOM 0 H22 G A 1 2.900 -9.013 -1.553 1.00 0.00 H new ATOM 33 P G A 2 9.865 -3.298 0.246 1.00 0.00 P ATOM 34 OP1 G A 2 11.172 -2.780 -0.215 1.00 0.00 O ATOM 35 OP2 G A 2 9.067 -2.519 1.219 1.00 0.00 O ATOM 36 O5' G A 2 8.947 -3.579 -1.048 1.00 0.00 O ATOM 37 C5' G A 2 9.533 -4.041 -2.273 1.00 0.00 C ATOM 38 C4' G A 2 8.478 -4.558 -3.250 1.00 0.00 C ATOM 39 O4' G A 2 7.727 -5.610 -2.633 1.00 0.00 O ATOM 40 C3' G A 2 7.414 -3.552 -3.649 1.00 0.00 C ATOM 41 O3' G A 2 7.898 -2.822 -4.785 1.00 0.00 O ATOM 42 C2' G A 2 6.299 -4.465 -4.129 1.00 0.00 C ATOM 43 O2' G A 2 6.596 -5.005 -5.420 1.00 0.00 O ATOM 44 C1' G A 2 6.351 -5.554 -3.059 1.00 0.00 C ATOM 45 N9 G A 2 5.528 -5.209 -1.891 1.00 0.00 N ATOM 46 C8 G A 2 5.920 -4.564 -0.751 1.00 0.00 C ATOM 47 N7 G A 2 4.952 -4.377 0.103 1.00 0.00 N ATOM 48 C5 G A 2 3.843 -4.941 -0.521 1.00 0.00 C ATOM 49 C6 G A 2 2.496 -5.042 -0.077 1.00 0.00 C ATOM 50 O6 G A 2 2.005 -4.647 0.976 1.00 0.00 O ATOM 51 N1 G A 2 1.701 -5.680 -1.009 1.00 0.00 N ATOM 52 C2 G A 2 2.134 -6.164 -2.216 1.00 0.00 C ATOM 53 N2 G A 2 1.231 -6.748 -2.990 1.00 0.00 N ATOM 54 N3 G A 2 3.390 -6.081 -2.647 1.00 0.00 N ATOM 55 C4 G A 2 4.188 -5.456 -1.748 1.00 0.00 C ATOM 0 H5' G A 2 10.248 -4.835 -2.057 1.00 0.00 H new ATOM 0 H5'' G A 2 10.091 -3.228 -2.738 1.00 0.00 H new ATOM 0 H4' G A 2 9.059 -4.847 -4.126 1.00 0.00 H new ATOM 0 H3' G A 2 7.131 -2.851 -2.864 1.00 0.00 H new ATOM 0 H2' G A 2 5.330 -3.979 -4.242 1.00 0.00 H new ATOM 0 HO2' G A 2 7.372 -4.540 -5.798 1.00 0.00 H new ATOM 0 H1' G A 2 5.978 -6.495 -3.463 1.00 0.00 H new ATOM 0 H8 G A 2 6.935 -4.240 -0.574 1.00 0.00 H new ATOM 0 H1 G A 2 0.714 -5.800 -0.781 1.00 0.00 H new ATOM 0 H21 G A 2 1.504 -7.124 -3.898 1.00 0.00 H new ATOM 0 H22 G A 2 0.263 -6.821 -2.678 1.00 0.00 H new ATOM 67 P G A 3 7.254 -1.395 -5.173 1.00 0.00 P ATOM 68 OP1 G A 3 7.920 -0.905 -6.402 1.00 0.00 O ATOM 69 OP2 G A 3 7.240 -0.547 -3.959 1.00 0.00 O ATOM 70 O5' G A 3 5.728 -1.775 -5.538 1.00 0.00 O ATOM 71 C5' G A 3 5.418 -2.473 -6.752 1.00 0.00 C ATOM 72 C4' G A 3 3.978 -2.986 -6.770 1.00 0.00 C ATOM 73 O4' G A 3 3.736 -3.799 -5.614 1.00 0.00 O ATOM 74 C3' G A 3 2.901 -1.926 -6.668 1.00 0.00 C ATOM 75 O3' G A 3 2.639 -1.429 -7.988 1.00 0.00 O ATOM 76 C2' G A 3 1.702 -2.761 -6.248 1.00 0.00 C ATOM 77 O2' G A 3 1.181 -3.494 -7.362 1.00 0.00 O ATOM 78 C1' G A 3 2.347 -3.707 -5.232 1.00 0.00 C ATOM 79 N9 G A 3 2.254 -3.191 -3.852 1.00 0.00 N ATOM 80 C8 G A 3 3.240 -2.663 -3.058 1.00 0.00 C ATOM 81 N7 G A 3 2.821 -2.288 -1.883 1.00 0.00 N ATOM 82 C5 G A 3 1.464 -2.589 -1.897 1.00 0.00 C ATOM 83 C6 G A 3 0.477 -2.406 -0.892 1.00 0.00 C ATOM 84 O6 G A 3 0.613 -1.937 0.232 1.00 0.00 O ATOM 85 N1 G A 3 -0.765 -2.839 -1.312 1.00 0.00 N ATOM 86 C2 G A 3 -1.033 -3.384 -2.542 1.00 0.00 C ATOM 87 N2 G A 3 -2.287 -3.741 -2.782 1.00 0.00 N ATOM 88 N3 G A 3 -0.120 -3.564 -3.493 1.00 0.00 N ATOM 89 C4 G A 3 1.105 -3.143 -3.100 1.00 0.00 C ATOM 0 H5' G A 3 6.103 -3.313 -6.872 1.00 0.00 H new ATOM 0 H5'' G A 3 5.576 -1.809 -7.602 1.00 0.00 H new ATOM 0 H4' G A 3 3.911 -3.495 -7.732 1.00 0.00 H new ATOM 0 H3' G A 3 3.142 -1.091 -6.010 1.00 0.00 H new ATOM 0 H2' G A 3 0.862 -2.185 -5.860 1.00 0.00 H new ATOM 0 HO2' G A 3 1.501 -3.092 -8.197 1.00 0.00 H new ATOM 0 H1' G A 3 1.838 -4.671 -5.239 1.00 0.00 H new ATOM 0 H8 G A 3 4.267 -2.567 -3.377 1.00 0.00 H new ATOM 0 H1 G A 3 -1.542 -2.747 -0.658 1.00 0.00 H new ATOM 0 H21 G A 3 -2.537 -4.151 -3.682 1.00 0.00 H new ATOM 0 H22 G A 3 -3.002 -3.606 -2.067 1.00 0.00 H new ATOM 101 P U A 4 2.084 0.069 -8.206 1.00 0.00 P ATOM 102 OP1 U A 4 1.654 0.205 -9.617 1.00 0.00 O ATOM 103 OP2 U A 4 3.073 1.015 -7.642 1.00 0.00 O ATOM 104 O5' U A 4 0.769 0.102 -7.268 1.00 0.00 O ATOM 105 C5' U A 4 -0.485 -0.418 -7.732 1.00 0.00 C ATOM 106 C4' U A 4 -1.572 -0.301 -6.666 1.00 0.00 C ATOM 107 O4' U A 4 -1.192 -1.060 -5.511 1.00 0.00 O ATOM 108 C3' U A 4 -1.782 1.098 -6.121 1.00 0.00 C ATOM 109 O3' U A 4 -2.758 1.745 -6.948 1.00 0.00 O ATOM 110 C2' U A 4 -2.427 0.818 -4.774 1.00 0.00 C ATOM 111 O2' U A 4 -3.805 0.461 -4.933 1.00 0.00 O ATOM 112 C1' U A 4 -1.608 -0.387 -4.307 1.00 0.00 C ATOM 113 N1 U A 4 -0.402 0.011 -3.547 1.00 0.00 N ATOM 114 C2 U A 4 -0.551 0.278 -2.200 1.00 0.00 C ATOM 115 O2 U A 4 -1.636 0.218 -1.625 1.00 0.00 O ATOM 116 N3 U A 4 0.595 0.637 -1.526 1.00 0.00 N ATOM 117 C4 U A 4 1.856 0.755 -2.070 1.00 0.00 C ATOM 118 O4 U A 4 2.796 1.097 -1.363 1.00 0.00 O ATOM 119 C5 U A 4 1.935 0.463 -3.482 1.00 0.00 C ATOM 120 C6 U A 4 0.820 0.106 -4.163 1.00 0.00 C ATOM 0 H5' U A 4 -0.363 -1.464 -8.015 1.00 0.00 H new ATOM 0 H5'' U A 4 -0.794 0.121 -8.628 1.00 0.00 H new ATOM 0 H4' U A 4 -2.476 -0.642 -7.170 1.00 0.00 H new ATOM 0 H3' U A 4 -0.881 1.709 -6.074 1.00 0.00 H new ATOM 0 H2' U A 4 -2.425 1.664 -4.087 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.165 0.896 -5.734 1.00 0.00 H new ATOM 0 H1' U A 4 -2.209 -1.010 -3.644 1.00 0.00 H new ATOM 0 H3 U A 4 0.502 0.834 -0.530 1.00 0.00 H new ATOM 0 H5 U A 4 2.883 0.529 -3.995 1.00 0.00 H new ATOM 0 H6 U A 4 0.895 -0.110 -5.219 1.00 0.00 H new ATOM 131 P C A 5 -2.713 3.339 -7.175 1.00 0.00 P ATOM 132 OP1 C A 5 -3.603 3.672 -8.310 1.00 0.00 O ATOM 133 OP2 C A 5 -1.296 3.765 -7.199 1.00 0.00 O ATOM 134 O5' C A 5 -3.383 3.905 -5.821 1.00 0.00 O ATOM 135 C5' C A 5 -4.809 3.991 -5.688 1.00 0.00 C ATOM 136 C4' C A 5 -5.220 4.417 -4.282 1.00 0.00 C ATOM 137 O4' C A 5 -4.721 3.471 -3.327 1.00 0.00 O ATOM 138 C3' C A 5 -4.633 5.732 -3.812 1.00 0.00 C ATOM 139 O3' C A 5 -5.515 6.780 -4.235 1.00 0.00 O ATOM 140 C2' C A 5 -4.758 5.606 -2.304 1.00 0.00 C ATOM 141 O2' C A 5 -6.109 5.824 -1.887 1.00 0.00 O ATOM 142 C1' C A 5 -4.364 4.141 -2.102 1.00 0.00 C ATOM 143 N1 C A 5 -2.914 3.970 -1.870 1.00 0.00 N ATOM 144 C2 C A 5 -2.470 3.962 -0.557 1.00 0.00 C ATOM 145 O2 C A 5 -3.262 4.111 0.369 1.00 0.00 O ATOM 146 N3 C A 5 -1.145 3.794 -0.316 1.00 0.00 N ATOM 147 C4 C A 5 -0.282 3.641 -1.326 1.00 0.00 C ATOM 148 N4 C A 5 1.002 3.485 -1.020 1.00 0.00 N ATOM 149 C5 C A 5 -0.726 3.650 -2.683 1.00 0.00 C ATOM 150 C6 C A 5 -2.043 3.816 -2.910 1.00 0.00 C ATOM 0 H5' C A 5 -5.255 3.024 -5.920 1.00 0.00 H new ATOM 0 H5'' C A 5 -5.200 4.705 -6.413 1.00 0.00 H new ATOM 0 H4' C A 5 -6.306 4.494 -4.341 1.00 0.00 H new ATOM 0 H3' C A 5 -3.625 5.936 -4.172 1.00 0.00 H new ATOM 0 H2' C A 5 -4.159 6.321 -1.740 1.00 0.00 H new ATOM 0 HO2' C A 5 -6.600 6.286 -2.598 1.00 0.00 H new ATOM 0 H1' C A 5 -4.870 3.740 -1.224 1.00 0.00 H new ATOM 0 H41 C A 5 1.692 3.365 -1.762 1.00 0.00 H new ATOM 0 H42 C A 5 1.297 3.485 -0.044 1.00 0.00 H new ATOM 0 H5 C A 5 -0.030 3.528 -3.499 1.00 0.00 H new ATOM 0 H6 C A 5 -2.414 3.827 -3.924 1.00 0.00 H new ATOM 162 P U A 6 -4.961 8.276 -4.460 1.00 0.00 P ATOM 163 OP1 U A 6 -6.108 9.147 -4.805 1.00 0.00 O ATOM 164 OP2 U A 6 -3.789 8.206 -5.360 1.00 0.00 O ATOM 165 O5' U A 6 -4.440 8.682 -2.989 1.00 0.00 O ATOM 166 C5' U A 6 -5.366 9.048 -1.957 1.00 0.00 C ATOM 167 C4' U A 6 -4.681 9.167 -0.599 1.00 0.00 C ATOM 168 O4' U A 6 -4.062 7.919 -0.259 1.00 0.00 O ATOM 169 C3' U A 6 -3.536 10.159 -0.541 1.00 0.00 C ATOM 170 O3' U A 6 -4.094 11.437 -0.208 1.00 0.00 O ATOM 171 C2' U A 6 -2.752 9.665 0.663 1.00 0.00 C ATOM 172 O2' U A 6 -3.387 10.064 1.880 1.00 0.00 O ATOM 173 C1' U A 6 -2.843 8.149 0.475 1.00 0.00 C ATOM 174 N1 U A 6 -1.710 7.606 -0.304 1.00 0.00 N ATOM 175 C2 U A 6 -0.652 7.063 0.399 1.00 0.00 C ATOM 176 O2 U A 6 -0.626 7.014 1.627 1.00 0.00 O ATOM 177 N3 U A 6 0.386 6.571 -0.358 1.00 0.00 N ATOM 178 C4 U A 6 0.461 6.573 -1.735 1.00 0.00 C ATOM 179 O4 U A 6 1.440 6.092 -2.296 1.00 0.00 O ATOM 180 C5 U A 6 -0.680 7.156 -2.402 1.00 0.00 C ATOM 181 C6 U A 6 -1.712 7.646 -1.675 1.00 0.00 C ATOM 0 H5' U A 6 -6.160 8.303 -1.900 1.00 0.00 H new ATOM 0 H5'' U A 6 -5.837 9.997 -2.211 1.00 0.00 H new ATOM 0 H4' U A 6 -5.482 9.486 0.068 1.00 0.00 H new ATOM 0 H3' U A 6 -2.952 10.241 -1.458 1.00 0.00 H new ATOM 0 H2' U A 6 -1.734 10.051 0.727 1.00 0.00 H new ATOM 0 HO2' U A 6 -3.063 9.504 2.617 1.00 0.00 H new ATOM 0 H1' U A 6 -2.822 7.656 1.447 1.00 0.00 H new ATOM 0 H3 U A 6 1.175 6.167 0.147 1.00 0.00 H new ATOM 0 H5 U A 6 -0.710 7.201 -3.481 1.00 0.00 H new ATOM 0 H6 U A 6 -2.558 8.079 -2.188 1.00 0.00 H new ATOM 192 P U A 7 -3.267 12.795 -0.465 1.00 0.00 P ATOM 193 OP1 U A 7 -4.234 13.888 -0.708 1.00 0.00 O ATOM 194 OP2 U A 7 -2.201 12.512 -1.456 1.00 0.00 O ATOM 195 O5' U A 7 -2.572 13.038 0.967 1.00 0.00 O ATOM 196 C5' U A 7 -2.076 14.330 1.339 1.00 0.00 C ATOM 197 C4' U A 7 -1.926 14.457 2.852 1.00 0.00 C ATOM 198 O4' U A 7 -3.215 14.310 3.474 1.00 0.00 O ATOM 199 C3' U A 7 -1.047 13.382 3.491 1.00 0.00 C ATOM 200 O3' U A 7 -0.424 13.961 4.643 1.00 0.00 O ATOM 201 C2' U A 7 -2.049 12.347 3.981 1.00 0.00 C ATOM 202 O2' U A 7 -1.517 11.605 5.084 1.00 0.00 O ATOM 203 C1' U A 7 -3.192 13.245 4.434 1.00 0.00 C ATOM 204 N1 U A 7 -4.499 12.556 4.415 1.00 0.00 N ATOM 205 C2 U A 7 -5.132 12.349 5.628 1.00 0.00 C ATOM 206 O2 U A 7 -4.660 12.722 6.698 1.00 0.00 O ATOM 207 N3 U A 7 -6.344 11.696 5.573 1.00 0.00 N ATOM 208 C4 U A 7 -6.972 11.241 4.434 1.00 0.00 C ATOM 209 O4 U A 7 -8.058 10.674 4.520 1.00 0.00 O ATOM 210 C5 U A 7 -6.254 11.494 3.207 1.00 0.00 C ATOM 211 C6 U A 7 -5.059 12.134 3.238 1.00 0.00 C ATOM 0 H5' U A 7 -2.755 15.101 0.974 1.00 0.00 H new ATOM 0 H5'' U A 7 -1.112 14.502 0.861 1.00 0.00 H new ATOM 0 H4' U A 7 -1.466 15.433 3.007 1.00 0.00 H new ATOM 0 H3' U A 7 -0.290 12.977 2.819 1.00 0.00 H new ATOM 0 H2' U A 7 -2.327 11.599 3.239 1.00 0.00 H new ATOM 0 HO2' U A 7 -1.922 10.713 5.104 1.00 0.00 H new ATOM 0 H1' U A 7 -3.035 13.574 5.461 1.00 0.00 H new ATOM 0 H3 U A 7 -6.822 11.534 6.460 1.00 0.00 H new ATOM 0 H5 U A 7 -6.669 11.173 2.263 1.00 0.00 H new ATOM 0 H6 U A 7 -4.535 12.316 2.311 1.00 0.00 H new ATOM 222 P C A 8 1.180 14.093 4.717 1.00 0.00 P ATOM 223 OP1 C A 8 1.556 14.417 6.111 1.00 0.00 O ATOM 224 OP2 C A 8 1.619 14.973 3.610 1.00 0.00 O ATOM 225 O5' C A 8 1.671 12.591 4.389 1.00 0.00 O ATOM 226 C5' C A 8 1.411 11.519 5.304 1.00 0.00 C ATOM 227 C4' C A 8 1.992 10.194 4.814 1.00 0.00 C ATOM 228 O4' C A 8 1.340 9.801 3.594 1.00 0.00 O ATOM 229 C3' C A 8 3.485 10.230 4.477 1.00 0.00 C ATOM 230 O3' C A 8 4.009 8.915 4.737 1.00 0.00 O ATOM 231 C2' C A 8 3.497 10.438 2.970 1.00 0.00 C ATOM 232 O2' C A 8 4.710 9.936 2.395 1.00 0.00 O ATOM 233 C1' C A 8 2.305 9.584 2.560 1.00 0.00 C ATOM 234 N1 C A 8 1.710 9.985 1.268 1.00 0.00 N ATOM 235 C2 C A 8 1.874 9.130 0.189 1.00 0.00 C ATOM 236 O2 C A 8 2.521 8.093 0.312 1.00 0.00 O ATOM 237 N3 C A 8 1.303 9.463 -1.000 1.00 0.00 N ATOM 238 C4 C A 8 0.597 10.591 -1.125 1.00 0.00 C ATOM 239 N4 C A 8 0.048 10.848 -2.308 1.00 0.00 N ATOM 240 C5 C A 8 0.425 11.479 -0.019 1.00 0.00 C ATOM 241 C6 C A 8 0.996 11.141 1.151 1.00 0.00 C ATOM 0 H5' C A 8 0.335 11.414 5.443 1.00 0.00 H new ATOM 0 H5'' C A 8 1.835 11.763 6.278 1.00 0.00 H new ATOM 0 H4' C A 8 1.835 9.507 5.646 1.00 0.00 H new ATOM 0 H3' C A 8 4.050 10.980 5.030 1.00 0.00 H new ATOM 0 H2' C A 8 3.442 11.479 2.652 1.00 0.00 H new ATOM 0 HO2' C A 8 5.043 9.189 2.934 1.00 0.00 H new ATOM 0 H1' C A 8 2.615 8.546 2.436 1.00 0.00 H new ATOM 0 H41 C A 8 -0.498 11.699 -2.443 1.00 0.00 H new ATOM 0 H42 C A 8 0.173 10.194 -3.081 1.00 0.00 H new ATOM 0 H5 C A 8 -0.144 12.391 -0.119 1.00 0.00 H new ATOM 0 H6 C A 8 0.888 11.792 2.006 1.00 0.00 H new ATOM 253 P G A 9 5.280 8.705 5.712 1.00 0.00 P ATOM 254 OP1 G A 9 6.024 9.984 5.790 1.00 0.00 O ATOM 255 OP2 G A 9 5.984 7.472 5.290 1.00 0.00 O ATOM 256 O5' G A 9 4.602 8.429 7.149 1.00 0.00 O ATOM 257 C5' G A 9 3.681 9.366 7.722 1.00 0.00 C ATOM 258 C4' G A 9 2.807 8.719 8.791 1.00 0.00 C ATOM 259 O4' G A 9 1.648 9.538 9.003 1.00 0.00 O ATOM 260 C3' G A 9 2.218 7.372 8.414 1.00 0.00 C ATOM 261 O3' G A 9 3.155 6.365 8.816 1.00 0.00 O ATOM 262 C2' G A 9 1.020 7.280 9.342 1.00 0.00 C ATOM 263 O2' G A 9 1.433 6.935 10.667 1.00 0.00 O ATOM 264 C1' G A 9 0.499 8.719 9.295 1.00 0.00 C ATOM 265 N9 G A 9 -0.530 8.928 8.249 1.00 0.00 N ATOM 266 C8 G A 9 -1.733 9.577 8.361 1.00 0.00 C ATOM 267 N7 G A 9 -2.428 9.594 7.259 1.00 0.00 N ATOM 268 C5 G A 9 -1.631 8.910 6.347 1.00 0.00 C ATOM 269 C6 G A 9 -1.863 8.608 4.975 1.00 0.00 C ATOM 270 O6 G A 9 -2.843 8.882 4.287 1.00 0.00 O ATOM 271 N1 G A 9 -0.811 7.904 4.423 1.00 0.00 N ATOM 272 C2 G A 9 0.324 7.530 5.095 1.00 0.00 C ATOM 273 N2 G A 9 1.239 6.863 4.408 1.00 0.00 N ATOM 274 N3 G A 9 0.556 7.803 6.377 1.00 0.00 N ATOM 275 C4 G A 9 -0.463 8.495 6.941 1.00 0.00 C ATOM 0 H5' G A 9 3.048 9.780 6.937 1.00 0.00 H new ATOM 0 H5'' G A 9 4.233 10.198 8.159 1.00 0.00 H new ATOM 0 H4' G A 9 3.472 8.604 9.647 1.00 0.00 H new ATOM 0 H3' G A 9 1.983 7.257 7.356 1.00 0.00 H new ATOM 0 H2' G A 9 0.286 6.525 9.059 1.00 0.00 H new ATOM 0 HO2' G A 9 2.296 6.472 10.631 1.00 0.00 H new ATOM 0 H1' G A 9 0.020 8.968 10.242 1.00 0.00 H new ATOM 0 H8 G A 9 -2.073 10.033 9.279 1.00 0.00 H new ATOM 0 H1 G A 9 -0.884 7.642 3.440 1.00 0.00 H new ATOM 0 H21 G A 9 2.101 6.563 4.864 1.00 0.00 H new ATOM 0 H22 G A 9 1.082 6.649 3.423 1.00 0.00 H new ATOM 287 P G A 10 3.838 5.388 7.731 1.00 0.00 P ATOM 288 OP1 G A 10 5.272 5.252 8.070 1.00 0.00 O ATOM 289 OP2 G A 10 3.444 5.842 6.375 1.00 0.00 O ATOM 290 O5' G A 10 3.117 3.968 8.014 1.00 0.00 O ATOM 291 C5' G A 10 2.534 3.681 9.294 1.00 0.00 C ATOM 292 C4' G A 10 1.010 3.609 9.228 1.00 0.00 C ATOM 293 O4' G A 10 0.551 4.667 8.372 1.00 0.00 O ATOM 294 C3' G A 10 0.456 2.351 8.576 1.00 0.00 C ATOM 295 O3' G A 10 0.160 1.409 9.618 1.00 0.00 O ATOM 296 C2' G A 10 -0.866 2.825 8.003 1.00 0.00 C ATOM 297 O2' G A 10 -1.858 2.951 9.028 1.00 0.00 O ATOM 298 C1' G A 10 -0.462 4.191 7.472 1.00 0.00 C ATOM 299 N9 G A 10 0.155 4.074 6.143 1.00 0.00 N ATOM 300 C8 G A 10 1.445 3.723 5.847 1.00 0.00 C ATOM 301 N7 G A 10 1.693 3.667 4.569 1.00 0.00 N ATOM 302 C5 G A 10 0.478 4.001 3.978 1.00 0.00 C ATOM 303 C6 G A 10 0.125 4.106 2.607 1.00 0.00 C ATOM 304 O6 G A 10 0.835 3.928 1.620 1.00 0.00 O ATOM 305 N1 G A 10 -1.198 4.465 2.447 1.00 0.00 N ATOM 306 C2 G A 10 -2.082 4.699 3.470 1.00 0.00 C ATOM 307 N2 G A 10 -3.316 5.038 3.131 1.00 0.00 N ATOM 308 N3 G A 10 -1.769 4.607 4.760 1.00 0.00 N ATOM 309 C4 G A 10 -0.474 4.254 4.939 1.00 0.00 C ATOM 0 H5' G A 10 2.830 4.450 10.007 1.00 0.00 H new ATOM 0 H5'' G A 10 2.925 2.734 9.666 1.00 0.00 H new ATOM 0 H4' G A 10 0.678 3.655 10.265 1.00 0.00 H new ATOM 0 H3' G A 10 1.126 1.897 7.846 1.00 0.00 H new ATOM 0 H2' G A 10 -1.307 2.156 7.264 1.00 0.00 H new ATOM 0 HO2' G A 10 -1.454 2.757 9.900 1.00 0.00 H new ATOM 0 H1' G A 10 -1.331 4.845 7.399 1.00 0.00 H new ATOM 0 H8 G A 10 2.188 3.512 6.602 1.00 0.00 H new ATOM 0 H1 G A 10 -1.546 4.564 1.493 1.00 0.00 H new ATOM 0 H21 G A 10 -4.011 5.223 3.854 1.00 0.00 H new ATOM 0 H22 G A 10 -3.572 5.115 2.147 1.00 0.00 H new ATOM 321 P G A 11 -0.013 -0.159 9.282 1.00 0.00 P ATOM 322 OP1 G A 11 -0.256 -0.881 10.552 1.00 0.00 O ATOM 323 OP2 G A 11 1.102 -0.571 8.402 1.00 0.00 O ATOM 324 O5' G A 11 -1.375 -0.189 8.415 1.00 0.00 O ATOM 325 C5' G A 11 -2.634 0.145 9.016 1.00 0.00 C ATOM 326 C4' G A 11 -3.712 0.417 7.971 1.00 0.00 C ATOM 327 O4' G A 11 -3.264 1.437 7.068 1.00 0.00 O ATOM 328 C3' G A 11 -4.029 -0.745 7.049 1.00 0.00 C ATOM 329 O3' G A 11 -5.027 -1.550 7.695 1.00 0.00 O ATOM 330 C2' G A 11 -4.699 -0.031 5.885 1.00 0.00 C ATOM 331 O2' G A 11 -6.038 0.345 6.225 1.00 0.00 O ATOM 332 C1' G A 11 -3.809 1.209 5.752 1.00 0.00 C ATOM 333 N9 G A 11 -2.697 1.011 4.797 1.00 0.00 N ATOM 334 C8 G A 11 -1.376 0.754 5.060 1.00 0.00 C ATOM 335 N7 G A 11 -0.639 0.647 3.989 1.00 0.00 N ATOM 336 C5 G A 11 -1.536 0.846 2.944 1.00 0.00 C ATOM 337 C6 G A 11 -1.317 0.845 1.538 1.00 0.00 C ATOM 338 O6 G A 11 -0.264 0.678 0.929 1.00 0.00 O ATOM 339 N1 G A 11 -2.485 1.081 0.840 1.00 0.00 N ATOM 340 C2 G A 11 -3.712 1.295 1.413 1.00 0.00 C ATOM 341 N2 G A 11 -4.731 1.505 0.590 1.00 0.00 N ATOM 342 N3 G A 11 -3.935 1.302 2.725 1.00 0.00 N ATOM 343 C4 G A 11 -2.801 1.069 3.428 1.00 0.00 C ATOM 0 H5' G A 11 -2.512 1.024 9.648 1.00 0.00 H new ATOM 0 H5'' G A 11 -2.954 -0.671 9.664 1.00 0.00 H new ATOM 0 H4' G A 11 -4.588 0.669 8.569 1.00 0.00 H new ATOM 0 H3' G A 11 -3.175 -1.367 6.779 1.00 0.00 H new ATOM 0 H2' G A 11 -4.784 -0.628 4.977 1.00 0.00 H new ATOM 0 HO2' G A 11 -6.434 -0.341 6.803 1.00 0.00 H new ATOM 0 H1' G A 11 -4.395 2.047 5.375 1.00 0.00 H new ATOM 0 H8 G A 11 -0.983 0.650 6.060 1.00 0.00 H new ATOM 0 H1 G A 11 -2.431 1.097 -0.178 1.00 0.00 H new ATOM 0 H21 G A 11 -5.665 1.669 0.966 1.00 0.00 H new ATOM 0 H22 G A 11 -4.581 1.502 -0.419 1.00 0.00 H new ATOM 355 P U A 12 -5.050 -3.149 7.502 1.00 0.00 P ATOM 356 OP1 U A 12 -6.278 -3.675 8.141 1.00 0.00 O ATOM 357 OP2 U A 12 -3.727 -3.684 7.895 1.00 0.00 O ATOM 358 O5' U A 12 -5.200 -3.311 5.907 1.00 0.00 O ATOM 359 C5' U A 12 -6.446 -3.036 5.252 1.00 0.00 C ATOM 360 C4' U A 12 -6.274 -2.946 3.739 1.00 0.00 C ATOM 361 O4' U A 12 -5.362 -1.884 3.429 1.00 0.00 O ATOM 362 C3' U A 12 -5.640 -4.166 3.098 1.00 0.00 C ATOM 363 O3' U A 12 -6.704 -5.059 2.739 1.00 0.00 O ATOM 364 C2' U A 12 -5.061 -3.592 1.817 1.00 0.00 C ATOM 365 O2' U A 12 -6.086 -3.392 0.839 1.00 0.00 O ATOM 366 C1' U A 12 -4.523 -2.249 2.317 1.00 0.00 C ATOM 367 N1 U A 12 -3.124 -2.339 2.794 1.00 0.00 N ATOM 368 C2 U A 12 -2.117 -2.262 1.849 1.00 0.00 C ATOM 369 O2 U A 12 -2.344 -2.157 0.645 1.00 0.00 O ATOM 370 N3 U A 12 -0.831 -2.331 2.331 1.00 0.00 N ATOM 371 C4 U A 12 -0.462 -2.471 3.652 1.00 0.00 C ATOM 372 O4 U A 12 0.724 -2.528 3.953 1.00 0.00 O ATOM 373 C5 U A 12 -1.566 -2.548 4.581 1.00 0.00 C ATOM 374 C6 U A 12 -2.839 -2.480 4.127 1.00 0.00 C ATOM 0 H5' U A 12 -6.857 -2.100 5.629 1.00 0.00 H new ATOM 0 H5'' U A 12 -7.165 -3.819 5.492 1.00 0.00 H new ATOM 0 H4' U A 12 -7.287 -2.814 3.359 1.00 0.00 H new ATOM 0 H3' U A 12 -4.915 -4.687 3.723 1.00 0.00 H new ATOM 0 H2' U A 12 -4.319 -4.227 1.333 1.00 0.00 H new ATOM 0 HO2' U A 12 -6.854 -3.963 1.049 1.00 0.00 H new ATOM 0 H1' U A 12 -4.534 -1.524 1.504 1.00 0.00 H new ATOM 0 H3 U A 12 -0.078 -2.273 1.646 1.00 0.00 H new ATOM 0 H5 U A 12 -1.375 -2.660 5.638 1.00 0.00 H new ATOM 0 H6 U A 12 -3.653 -2.538 4.835 1.00 0.00 H new ATOM 385 P C A 13 -6.700 -6.592 3.242 1.00 0.00 P ATOM 386 OP1 C A 13 -8.104 -7.037 3.385 1.00 0.00 O ATOM 387 OP2 C A 13 -5.767 -6.702 4.387 1.00 0.00 O ATOM 388 O5' C A 13 -6.044 -7.365 1.990 1.00 0.00 O ATOM 389 C5' C A 13 -6.832 -7.708 0.841 1.00 0.00 C ATOM 390 C4' C A 13 -5.958 -7.959 -0.382 1.00 0.00 C ATOM 391 O4' C A 13 -5.198 -6.778 -0.669 1.00 0.00 O ATOM 392 C3' C A 13 -4.902 -9.034 -0.202 1.00 0.00 C ATOM 393 O3' C A 13 -5.487 -10.282 -0.602 1.00 0.00 O ATOM 394 C2' C A 13 -3.871 -8.649 -1.251 1.00 0.00 C ATOM 395 O2' C A 13 -4.300 -9.048 -2.557 1.00 0.00 O ATOM 396 C1' C A 13 -3.877 -7.124 -1.123 1.00 0.00 C ATOM 397 N1 C A 13 -2.894 -6.631 -0.131 1.00 0.00 N ATOM 398 C2 C A 13 -1.625 -6.303 -0.585 1.00 0.00 C ATOM 399 O2 C A 13 -1.332 -6.441 -1.768 1.00 0.00 O ATOM 400 N3 C A 13 -0.713 -5.833 0.308 1.00 0.00 N ATOM 401 C4 C A 13 -1.031 -5.688 1.597 1.00 0.00 C ATOM 402 N4 C A 13 -0.093 -5.224 2.416 1.00 0.00 N ATOM 403 C5 C A 13 -2.335 -6.024 2.077 1.00 0.00 C ATOM 404 C6 C A 13 -3.231 -6.488 1.185 1.00 0.00 C ATOM 0 H5' C A 13 -7.535 -6.903 0.628 1.00 0.00 H new ATOM 0 H5'' C A 13 -7.422 -8.599 1.056 1.00 0.00 H new ATOM 0 H4' C A 13 -6.661 -8.261 -1.158 1.00 0.00 H new ATOM 0 H3' C A 13 -4.506 -9.120 0.810 1.00 0.00 H new ATOM 0 H2' C A 13 -2.894 -9.111 -1.113 1.00 0.00 H new ATOM 0 HO2' C A 13 -4.892 -9.826 -2.484 1.00 0.00 H new ATOM 0 H1' C A 13 -3.611 -6.675 -2.080 1.00 0.00 H new ATOM 0 H41 C A 13 -0.298 -5.099 3.407 1.00 0.00 H new ATOM 0 H42 C A 13 0.832 -4.992 2.053 1.00 0.00 H new ATOM 0 H5 C A 13 -2.593 -5.910 3.120 1.00 0.00 H new ATOM 0 H6 C A 13 -4.226 -6.750 1.513 1.00 0.00 H new ATOM 416 P C A 14 -5.543 -11.533 0.414 1.00 0.00 P ATOM 417 OP1 C A 14 -6.739 -12.342 0.092 1.00 0.00 O ATOM 418 OP2 C A 14 -5.343 -11.024 1.791 1.00 0.00 O ATOM 419 O5' C A 14 -4.232 -12.378 0.001 1.00 0.00 O ATOM 420 C5' C A 14 -4.114 -12.971 -1.300 1.00 0.00 C ATOM 421 C4' C A 14 -2.707 -12.803 -1.863 1.00 0.00 C ATOM 422 O4' C A 14 -2.378 -11.409 -1.903 1.00 0.00 O ATOM 423 C3' C A 14 -1.601 -13.420 -1.019 1.00 0.00 C ATOM 424 O3' C A 14 -1.446 -14.812 -1.310 1.00 0.00 O ATOM 425 C2' C A 14 -0.396 -12.625 -1.502 1.00 0.00 C ATOM 426 O2' C A 14 0.031 -13.087 -2.790 1.00 0.00 O ATOM 427 C1' C A 14 -0.985 -11.217 -1.606 1.00 0.00 C ATOM 428 N1 C A 14 -0.872 -10.455 -0.342 1.00 0.00 N ATOM 429 C2 C A 14 0.182 -9.561 -0.218 1.00 0.00 C ATOM 430 O2 C A 14 0.989 -9.414 -1.135 1.00 0.00 O ATOM 431 N3 C A 14 0.305 -8.851 0.935 1.00 0.00 N ATOM 432 C4 C A 14 -0.572 -9.011 1.932 1.00 0.00 C ATOM 433 N4 C A 14 -0.391 -8.290 3.035 1.00 0.00 N ATOM 434 C5 C A 14 -1.662 -9.928 1.815 1.00 0.00 C ATOM 435 C6 C A 14 -1.774 -10.625 0.670 1.00 0.00 C ATOM 0 H5' C A 14 -4.835 -12.513 -1.977 1.00 0.00 H new ATOM 0 H5'' C A 14 -4.360 -14.031 -1.242 1.00 0.00 H new ATOM 0 H4' C A 14 -2.743 -13.298 -2.833 1.00 0.00 H new ATOM 0 H3' C A 14 -1.774 -13.375 0.056 1.00 0.00 H new ATOM 0 H2' C A 14 0.479 -12.700 -0.856 1.00 0.00 H new ATOM 0 HO2' C A 14 -0.322 -13.987 -2.948 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.728 -15.184 -0.756 1.00 0.00 H new ATOM 0 H1' C A 14 -0.447 -10.646 -2.363 1.00 0.00 H new ATOM 0 H41 C A 14 -1.039 -8.384 3.818 1.00 0.00 H new ATOM 0 H42 C A 14 0.395 -7.643 3.098 1.00 0.00 H new ATOM 0 H5 C A 14 -2.372 -10.057 2.619 1.00 0.00 H new ATOM 0 H6 C A 14 -2.586 -11.327 0.549 1.00 0.00 H new TER 448 C A 14 HETATM 449 CO NCO A 15 4.158 -0.895 2.460 1.00 0.00 CO HETATM 450 N1 NCO A 15 4.203 -1.177 0.495 1.00 0.00 N HETATM 451 N2 NCO A 15 4.112 -0.612 4.426 1.00 0.00 N HETATM 452 N3 NCO A 15 4.740 0.987 2.203 1.00 0.00 N HETATM 453 N4 NCO A 15 3.575 -2.776 2.717 1.00 0.00 N HETATM 454 N5 NCO A 15 6.056 -1.467 2.586 1.00 0.00 N HETATM 455 N6 NCO A 15 2.259 -0.323 2.335 1.00 0.00 N