USER MOD reduce.3.24.130724 H: found=0, std=0, add=155, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 155 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 G O2' : rot -6:sc= -3.73! USER MOD Single : A 13 G O5' : rot 13:sc= -1.53! USER MOD Single : A 14 G O2' : rot -22:sc= 0.0488 USER MOD Single : A 15 C O2' : rot -8:sc= -0.693 USER MOD Single : A 16 A O2' : rot -2:sc= -4.94! USER MOD Single : A 17 C O2' : rot -9:sc= -3.32! USER MOD Single : A 18 U O2' : rot 174:sc= -7.35! USER MOD Single : A 19 G O2' : rot -20:sc= 0.191 USER MOD Single : A 19 G O3' : rot 180:sc= 0.192 USER MOD Single : B 59 C O2' : rot -13:sc= -2.19! USER MOD Single : B 59 C O5' : rot 49:sc= -3.08! USER MOD Single : B 60 A O2' : rot -18:sc= 0.214 USER MOD Single : B 61 G O2' : rot -152:sc= -1.46 USER MOD Single : B 62 U O2' : rot -16:sc= -1.77! USER MOD Single : B 63 G O2' : rot -4:sc= -0.227 USER MOD Single : B 64 U O2' : rot -7:sc= 0.103 USER MOD Single : B 65 C O2' : rot -25:sc= 0.153 USER MOD Single : B 65 C O3' : rot 180:sc= 0.172 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 13 5.089 -6.781 -4.994 1.00 0.00 O ATOM 2 C5' G A 13 5.435 -7.442 -6.214 1.00 0.00 C ATOM 3 C4' G A 13 4.280 -8.289 -6.740 1.00 0.00 C ATOM 4 O4' G A 13 4.011 -9.400 -5.869 1.00 0.00 O ATOM 5 C3' G A 13 2.988 -7.477 -6.795 1.00 0.00 C ATOM 6 O3' G A 13 2.774 -7.040 -8.138 1.00 0.00 O ATOM 7 C2' G A 13 1.927 -8.502 -6.449 1.00 0.00 C ATOM 8 O2' G A 13 1.554 -9.284 -7.590 1.00 0.00 O ATOM 9 C1' G A 13 2.654 -9.335 -5.414 1.00 0.00 C ATOM 10 N9 G A 13 2.569 -8.701 -4.086 1.00 0.00 N ATOM 11 C8 G A 13 3.256 -7.643 -3.590 1.00 0.00 C ATOM 12 N7 G A 13 2.985 -7.262 -2.388 1.00 0.00 N ATOM 13 C5 G A 13 1.990 -8.172 -2.020 1.00 0.00 C ATOM 14 C6 G A 13 1.268 -8.287 -0.802 1.00 0.00 C ATOM 15 O6 G A 13 1.365 -7.598 0.213 1.00 0.00 O ATOM 16 N1 G A 13 0.360 -9.336 -0.849 1.00 0.00 N ATOM 17 C2 G A 13 0.164 -10.174 -1.929 1.00 0.00 C ATOM 18 N2 G A 13 -0.762 -11.122 -1.779 1.00 0.00 N ATOM 19 N3 G A 13 0.838 -10.072 -3.076 1.00 0.00 N ATOM 20 C4 G A 13 1.731 -9.058 -3.055 1.00 0.00 C ATOM 0 H5' G A 13 6.307 -8.075 -6.051 1.00 0.00 H new ATOM 0 H5'' G A 13 5.715 -6.701 -6.963 1.00 0.00 H new ATOM 0 H4' G A 13 4.579 -8.629 -7.731 1.00 0.00 H new ATOM 0 H3' G A 13 2.992 -6.605 -6.142 1.00 0.00 H new ATOM 0 H2' G A 13 0.987 -8.074 -6.100 1.00 0.00 H new ATOM 0 HO2' G A 13 1.993 -8.926 -8.390 1.00 0.00 H new ATOM 0 HO5' G A 13 4.258 -7.161 -4.640 1.00 0.00 H new ATOM 0 H1' G A 13 2.219 -10.329 -5.308 1.00 0.00 H new ATOM 0 H8 G A 13 4.005 -7.136 -4.181 1.00 0.00 H new ATOM 0 H1 G A 13 -0.209 -9.501 -0.018 1.00 0.00 H new ATOM 0 H21 G A 13 -0.954 -11.773 -2.541 1.00 0.00 H new ATOM 0 H22 G A 13 -1.278 -11.196 -0.903 1.00 0.00 H new ATOM 33 P G A 14 1.815 -5.781 -8.433 1.00 0.00 P ATOM 34 OP1 G A 14 1.756 -5.575 -9.897 1.00 0.00 O ATOM 35 OP2 G A 14 2.227 -4.667 -7.548 1.00 0.00 O ATOM 36 O5' G A 14 0.377 -6.311 -7.938 1.00 0.00 O ATOM 37 C5' G A 14 -0.277 -7.370 -8.640 1.00 0.00 C ATOM 38 C4' G A 14 -1.723 -7.549 -8.185 1.00 0.00 C ATOM 39 O4' G A 14 -1.821 -8.300 -6.963 1.00 0.00 O ATOM 40 C3' G A 14 -2.379 -6.220 -7.860 1.00 0.00 C ATOM 41 O3' G A 14 -2.897 -5.628 -9.053 1.00 0.00 O ATOM 42 C2' G A 14 -3.534 -6.680 -6.999 1.00 0.00 C ATOM 43 O2' G A 14 -4.569 -7.281 -7.788 1.00 0.00 O ATOM 44 C1' G A 14 -2.834 -7.705 -6.123 1.00 0.00 C ATOM 45 N9 G A 14 -2.240 -7.073 -4.935 1.00 0.00 N ATOM 46 C8 G A 14 -1.024 -6.497 -4.761 1.00 0.00 C ATOM 47 N7 G A 14 -0.737 -6.059 -3.581 1.00 0.00 N ATOM 48 C5 G A 14 -1.900 -6.373 -2.872 1.00 0.00 C ATOM 49 C6 G A 14 -2.221 -6.150 -1.511 1.00 0.00 C ATOM 50 O6 G A 14 -1.526 -5.627 -0.645 1.00 0.00 O ATOM 51 N1 G A 14 -3.497 -6.617 -1.203 1.00 0.00 N ATOM 52 C2 G A 14 -4.355 -7.223 -2.093 1.00 0.00 C ATOM 53 N2 G A 14 -5.541 -7.591 -1.609 1.00 0.00 N ATOM 54 N3 G A 14 -4.059 -7.438 -3.375 1.00 0.00 N ATOM 55 C4 G A 14 -2.823 -6.991 -3.696 1.00 0.00 C ATOM 0 H5' G A 14 0.270 -8.300 -8.485 1.00 0.00 H new ATOM 0 H5'' G A 14 -0.256 -7.163 -9.710 1.00 0.00 H new ATOM 0 H4' G A 14 -2.208 -8.060 -9.017 1.00 0.00 H new ATOM 0 H3' G A 14 -1.715 -5.487 -7.401 1.00 0.00 H new ATOM 0 H2' G A 14 -4.040 -5.885 -6.452 1.00 0.00 H new ATOM 0 HO2' G A 14 -4.495 -6.972 -8.715 1.00 0.00 H new ATOM 0 H1' G A 14 -3.530 -8.453 -5.744 1.00 0.00 H new ATOM 0 H8 G A 14 -0.323 -6.408 -5.578 1.00 0.00 H new ATOM 0 H1 G A 14 -3.821 -6.501 -0.243 1.00 0.00 H new ATOM 0 H21 G A 14 -6.222 -8.045 -2.218 1.00 0.00 H new ATOM 0 H22 G A 14 -5.768 -7.418 -0.630 1.00 0.00 H new ATOM 67 P C A 15 -3.039 -4.025 -9.144 1.00 0.00 P ATOM 68 OP1 C A 15 -3.711 -3.687 -10.417 1.00 0.00 O ATOM 69 OP2 C A 15 -1.729 -3.422 -8.813 1.00 0.00 O ATOM 70 O5' C A 15 -4.056 -3.723 -7.934 1.00 0.00 O ATOM 71 C5' C A 15 -5.426 -4.105 -8.046 1.00 0.00 C ATOM 72 C4' C A 15 -6.134 -4.092 -6.695 1.00 0.00 C ATOM 73 O4' C A 15 -5.477 -4.938 -5.746 1.00 0.00 O ATOM 74 C3' C A 15 -6.106 -2.733 -6.028 1.00 0.00 C ATOM 75 O3' C A 15 -7.139 -1.905 -6.569 1.00 0.00 O ATOM 76 C2' C A 15 -6.486 -3.118 -4.615 1.00 0.00 C ATOM 77 O2' C A 15 -7.890 -3.378 -4.498 1.00 0.00 O ATOM 78 C1' C A 15 -5.662 -4.386 -4.426 1.00 0.00 C ATOM 79 N1 C A 15 -4.376 -4.072 -3.769 1.00 0.00 N ATOM 80 C2 C A 15 -4.404 -3.870 -2.399 1.00 0.00 C ATOM 81 O2 C A 15 -5.472 -3.917 -1.794 1.00 0.00 O ATOM 82 N3 C A 15 -3.233 -3.605 -1.761 1.00 0.00 N ATOM 83 C4 C A 15 -2.081 -3.542 -2.437 1.00 0.00 C ATOM 84 N4 C A 15 -0.952 -3.287 -1.777 1.00 0.00 N ATOM 85 C5 C A 15 -2.045 -3.745 -3.851 1.00 0.00 C ATOM 86 C6 C A 15 -3.209 -4.002 -4.475 1.00 0.00 C ATOM 0 H5' C A 15 -5.490 -5.103 -8.479 1.00 0.00 H new ATOM 0 H5'' C A 15 -5.937 -3.427 -8.730 1.00 0.00 H new ATOM 0 H4' C A 15 -7.149 -4.413 -6.930 1.00 0.00 H new ATOM 0 H3' C A 15 -5.167 -2.190 -6.137 1.00 0.00 H new ATOM 0 H2' C A 15 -6.294 -2.344 -3.872 1.00 0.00 H new ATOM 0 HO2' C A 15 -8.339 -3.131 -5.333 1.00 0.00 H new ATOM 0 H1' C A 15 -6.161 -5.107 -3.778 1.00 0.00 H new ATOM 0 H41 C A 15 -0.067 -3.236 -2.281 1.00 0.00 H new ATOM 0 H42 C A 15 -0.973 -3.142 -0.768 1.00 0.00 H new ATOM 0 H5 C A 15 -1.116 -3.694 -4.400 1.00 0.00 H new ATOM 0 H6 C A 15 -3.221 -4.154 -5.544 1.00 0.00 H new ATOM 98 P A A 16 -7.048 -0.303 -6.413 1.00 0.00 P ATOM 99 OP1 A A 16 -8.269 0.288 -7.005 1.00 0.00 O ATOM 100 OP2 A A 16 -5.714 0.131 -6.884 1.00 0.00 O ATOM 101 O5' A A 16 -7.110 -0.096 -4.815 1.00 0.00 O ATOM 102 C5' A A 16 -8.339 -0.295 -4.110 1.00 0.00 C ATOM 103 C4' A A 16 -8.169 -0.144 -2.597 1.00 0.00 C ATOM 104 O4' A A 16 -7.227 -1.080 -2.062 1.00 0.00 O ATOM 105 C3' A A 16 -7.602 1.211 -2.219 1.00 0.00 C ATOM 106 O3' A A 16 -8.665 2.159 -2.118 1.00 0.00 O ATOM 107 C2' A A 16 -7.075 0.935 -0.827 1.00 0.00 C ATOM 108 O2' A A 16 -8.127 0.948 0.145 1.00 0.00 O ATOM 109 C1' A A 16 -6.487 -0.452 -0.993 1.00 0.00 C ATOM 110 N9 A A 16 -5.049 -0.379 -1.301 1.00 0.00 N ATOM 111 C8 A A 16 -4.399 -0.598 -2.463 1.00 0.00 C ATOM 112 N7 A A 16 -3.111 -0.576 -2.446 1.00 0.00 N ATOM 113 C5 A A 16 -2.861 -0.296 -1.104 1.00 0.00 C ATOM 114 C6 A A 16 -1.681 -0.129 -0.379 1.00 0.00 C ATOM 115 N6 A A 16 -0.471 -0.276 -0.925 1.00 0.00 N ATOM 116 N1 A A 16 -1.802 0.151 0.932 1.00 0.00 N ATOM 117 C2 A A 16 -3.016 0.252 1.488 1.00 0.00 C ATOM 118 N3 A A 16 -4.186 0.106 0.894 1.00 0.00 N ATOM 119 C4 A A 16 -4.037 -0.169 -0.406 1.00 0.00 C ATOM 0 H5' A A 16 -8.727 -1.289 -4.333 1.00 0.00 H new ATOM 0 H5'' A A 16 -9.079 0.423 -4.464 1.00 0.00 H new ATOM 0 H4' A A 16 -9.172 -0.297 -2.198 1.00 0.00 H new ATOM 0 H3' A A 16 -6.869 1.603 -2.924 1.00 0.00 H new ATOM 0 H2' A A 16 -6.362 1.677 -0.467 1.00 0.00 H new ATOM 0 HO2' A A 16 -8.976 1.161 -0.295 1.00 0.00 H new ATOM 0 H1' A A 16 -6.570 -1.032 -0.074 1.00 0.00 H new ATOM 0 H8 A A 16 -4.941 -0.786 -3.378 1.00 0.00 H new ATOM 0 H61 A A 16 0.365 -0.144 -0.356 1.00 0.00 H new ATOM 0 H62 A A 16 -0.383 -0.520 -1.911 1.00 0.00 H new ATOM 0 H2 A A 16 -3.041 0.479 2.544 1.00 0.00 H new ATOM 131 P C A 17 -8.336 3.734 -2.152 1.00 0.00 P ATOM 132 OP1 C A 17 -9.600 4.477 -1.951 1.00 0.00 O ATOM 133 OP2 C A 17 -7.498 4.009 -3.340 1.00 0.00 O ATOM 134 O5' C A 17 -7.424 3.924 -0.836 1.00 0.00 O ATOM 135 C5' C A 17 -7.955 3.630 0.458 1.00 0.00 C ATOM 136 C4' C A 17 -6.903 3.772 1.556 1.00 0.00 C ATOM 137 O4' C A 17 -5.875 2.789 1.459 1.00 0.00 O ATOM 138 C3' C A 17 -6.181 5.097 1.469 1.00 0.00 C ATOM 139 O3' C A 17 -6.942 6.078 2.178 1.00 0.00 O ATOM 140 C2' C A 17 -4.911 4.819 2.247 1.00 0.00 C ATOM 141 O2' C A 17 -5.109 4.996 3.654 1.00 0.00 O ATOM 142 C1' C A 17 -4.629 3.360 1.904 1.00 0.00 C ATOM 143 N1 C A 17 -3.612 3.251 0.853 1.00 0.00 N ATOM 144 C2 C A 17 -2.289 3.200 1.243 1.00 0.00 C ATOM 145 O2 C A 17 -1.999 3.276 2.434 1.00 0.00 O ATOM 146 N3 C A 17 -1.339 3.066 0.274 1.00 0.00 N ATOM 147 C4 C A 17 -1.689 2.989 -1.019 1.00 0.00 C ATOM 148 N4 C A 17 -0.744 2.844 -1.949 1.00 0.00 N ATOM 149 C5 C A 17 -3.060 3.049 -1.409 1.00 0.00 C ATOM 150 C6 C A 17 -3.974 3.179 -0.451 1.00 0.00 C ATOM 0 H5' C A 17 -8.351 2.614 0.465 1.00 0.00 H new ATOM 0 H5'' C A 17 -8.790 4.299 0.667 1.00 0.00 H new ATOM 0 H4' C A 17 -7.464 3.668 2.485 1.00 0.00 H new ATOM 0 H3' C A 17 -6.017 5.453 0.452 1.00 0.00 H new ATOM 0 H2' C A 17 -4.091 5.492 1.994 1.00 0.00 H new ATOM 0 HO2' C A 17 -5.988 5.398 3.813 1.00 0.00 H new ATOM 0 H1' C A 17 -4.242 2.831 2.775 1.00 0.00 H new ATOM 0 H41 C A 17 -1.003 2.785 -2.934 1.00 0.00 H new ATOM 0 H42 C A 17 0.237 2.792 -1.675 1.00 0.00 H new ATOM 0 H5 C A 17 -3.347 2.991 -2.449 1.00 0.00 H new ATOM 0 H6 C A 17 -5.020 3.228 -0.716 1.00 0.00 H new ATOM 162 P U A 18 -6.875 7.627 1.751 1.00 0.00 P ATOM 163 OP1 U A 18 -7.701 8.405 2.700 1.00 0.00 O ATOM 164 OP2 U A 18 -7.135 7.720 0.297 1.00 0.00 O ATOM 165 O5' U A 18 -5.330 7.990 2.012 1.00 0.00 O ATOM 166 C5' U A 18 -4.758 7.859 3.316 1.00 0.00 C ATOM 167 C4' U A 18 -3.268 8.177 3.303 1.00 0.00 C ATOM 168 O4' U A 18 -2.516 7.116 2.717 1.00 0.00 O ATOM 169 C3' U A 18 -2.996 9.403 2.448 1.00 0.00 C ATOM 170 O3' U A 18 -2.754 10.514 3.315 1.00 0.00 O ATOM 171 C2' U A 18 -1.712 9.108 1.695 1.00 0.00 C ATOM 172 O2' U A 18 -0.646 9.958 2.123 1.00 0.00 O ATOM 173 C1' U A 18 -1.403 7.650 1.990 1.00 0.00 C ATOM 174 N1 U A 18 -1.189 6.929 0.729 1.00 0.00 N ATOM 175 C2 U A 18 0.115 6.745 0.318 1.00 0.00 C ATOM 176 O2 U A 18 1.070 7.150 0.976 1.00 0.00 O ATOM 177 N3 U A 18 0.285 6.086 -0.883 1.00 0.00 N ATOM 178 C4 U A 18 -0.724 5.597 -1.695 1.00 0.00 C ATOM 179 O4 U A 18 -0.453 5.024 -2.749 1.00 0.00 O ATOM 180 C5 U A 18 -2.061 5.833 -1.182 1.00 0.00 C ATOM 181 C6 U A 18 -2.247 6.483 -0.008 1.00 0.00 C ATOM 0 H5' U A 18 -4.912 6.844 3.682 1.00 0.00 H new ATOM 0 H5'' U A 18 -5.269 8.529 4.008 1.00 0.00 H new ATOM 0 H4' U A 18 -2.976 8.334 4.341 1.00 0.00 H new ATOM 0 H3' U A 18 -3.827 9.626 1.779 1.00 0.00 H new ATOM 0 H2' U A 18 -1.823 9.292 0.626 1.00 0.00 H new ATOM 0 HO2' U A 18 0.188 9.679 1.691 1.00 0.00 H new ATOM 0 H1' U A 18 -0.495 7.546 2.584 1.00 0.00 H new ATOM 0 H3 U A 18 1.244 5.946 -1.202 1.00 0.00 H new ATOM 0 H5 U A 18 -2.917 5.487 -1.742 1.00 0.00 H new ATOM 0 H6 U A 18 -3.252 6.651 0.351 1.00 0.00 H new ATOM 192 P G A 19 -2.645 12.007 2.722 1.00 0.00 P ATOM 193 OP1 G A 19 -2.901 12.965 3.821 1.00 0.00 O ATOM 194 OP2 G A 19 -3.443 12.075 1.478 1.00 0.00 O ATOM 195 O5' G A 19 -1.081 12.089 2.329 1.00 0.00 O ATOM 196 C5' G A 19 -0.090 12.025 3.361 1.00 0.00 C ATOM 197 C4' G A 19 1.322 11.796 2.818 1.00 0.00 C ATOM 198 O4' G A 19 1.485 10.489 2.283 1.00 0.00 O ATOM 199 C3' G A 19 1.654 12.712 1.660 1.00 0.00 C ATOM 200 O3' G A 19 1.990 14.031 2.106 1.00 0.00 O ATOM 201 C2' G A 19 2.856 11.995 1.056 1.00 0.00 C ATOM 202 O2' G A 19 4.075 12.383 1.699 1.00 0.00 O ATOM 203 C1' G A 19 2.536 10.521 1.305 1.00 0.00 C ATOM 204 N9 G A 19 2.128 9.866 0.051 1.00 0.00 N ATOM 205 C8 G A 19 0.890 9.585 -0.405 1.00 0.00 C ATOM 206 N7 G A 19 0.788 8.970 -1.533 1.00 0.00 N ATOM 207 C5 G A 19 2.127 8.818 -1.893 1.00 0.00 C ATOM 208 C6 G A 19 2.695 8.213 -3.043 1.00 0.00 C ATOM 209 O6 G A 19 2.118 7.676 -3.986 1.00 0.00 O ATOM 210 N1 G A 19 4.082 8.276 -3.018 1.00 0.00 N ATOM 211 C2 G A 19 4.835 8.849 -2.014 1.00 0.00 C ATOM 212 N2 G A 19 6.158 8.828 -2.182 1.00 0.00 N ATOM 213 N3 G A 19 4.308 9.419 -0.924 1.00 0.00 N ATOM 214 C4 G A 19 2.957 9.368 -0.928 1.00 0.00 C ATOM 0 H5' G A 19 -0.343 11.220 4.051 1.00 0.00 H new ATOM 0 H5'' G A 19 -0.108 12.953 3.933 1.00 0.00 H new ATOM 0 H4' G A 19 1.966 11.976 3.679 1.00 0.00 H new ATOM 0 H3' G A 19 0.831 12.870 0.963 1.00 0.00 H new ATOM 0 H2' G A 19 3.009 12.228 0.002 1.00 0.00 H new ATOM 0 HO2' G A 19 3.946 13.241 2.155 1.00 0.00 H new ATOM 0 HO3' G A 19 2.200 14.594 1.332 1.00 0.00 H new ATOM 0 H1' G A 19 3.409 9.979 1.669 1.00 0.00 H new ATOM 0 H8 G A 19 0.012 9.866 0.157 1.00 0.00 H new ATOM 0 H1 G A 19 4.584 7.866 -3.805 1.00 0.00 H new ATOM 0 H21 G A 19 6.769 9.236 -1.474 1.00 0.00 H new ATOM 0 H22 G A 19 6.559 8.404 -3.018 1.00 0.00 H new TER 227 G A 19 ATOM 228 O5' C B 59 8.252 4.405 -8.165 1.00 0.00 O ATOM 229 C5' C B 59 9.670 4.289 -8.241 1.00 0.00 C ATOM 230 C4' C B 59 10.383 5.196 -7.230 1.00 0.00 C ATOM 231 O4' C B 59 9.973 6.571 -7.374 1.00 0.00 O ATOM 232 C3' C B 59 10.029 4.821 -5.792 1.00 0.00 C ATOM 233 O3' C B 59 11.059 3.978 -5.272 1.00 0.00 O ATOM 234 C2' C B 59 10.097 6.156 -5.078 1.00 0.00 C ATOM 235 O2' C B 59 11.448 6.536 -4.791 1.00 0.00 O ATOM 236 C1' C B 59 9.472 7.057 -6.117 1.00 0.00 C ATOM 237 N1 C B 59 8.004 6.958 -6.063 1.00 0.00 N ATOM 238 C2 C B 59 7.341 7.577 -5.016 1.00 0.00 C ATOM 239 O2 C B 59 7.972 8.211 -4.174 1.00 0.00 O ATOM 240 N3 C B 59 5.985 7.448 -4.950 1.00 0.00 N ATOM 241 C4 C B 59 5.317 6.740 -5.875 1.00 0.00 C ATOM 242 N4 C B 59 3.990 6.636 -5.790 1.00 0.00 N ATOM 243 C5 C B 59 6.011 6.105 -6.951 1.00 0.00 C ATOM 244 C6 C B 59 7.337 6.246 -7.001 1.00 0.00 C ATOM 0 H5' C B 59 10.000 4.542 -9.249 1.00 0.00 H new ATOM 0 H5'' C B 59 9.958 3.253 -8.062 1.00 0.00 H new ATOM 0 H4' C B 59 11.447 5.069 -7.428 1.00 0.00 H new ATOM 0 H3' C B 59 9.073 4.307 -5.690 1.00 0.00 H new ATOM 0 H2' C B 59 9.605 6.175 -4.105 1.00 0.00 H new ATOM 0 HO2' C B 59 12.041 5.768 -4.931 1.00 0.00 H new ATOM 0 HO5' C B 59 8.000 5.352 -8.176 1.00 0.00 H new ATOM 0 H1' C B 59 9.718 8.107 -5.960 1.00 0.00 H new ATOM 0 H41 C B 59 3.475 6.100 -6.488 1.00 0.00 H new ATOM 0 H42 C B 59 3.491 7.092 -5.027 1.00 0.00 H new ATOM 0 H5 C B 59 5.481 5.531 -7.697 1.00 0.00 H new ATOM 0 H6 C B 59 7.889 5.783 -7.806 1.00 0.00 H new ATOM 257 P A B 60 10.717 2.890 -4.136 1.00 0.00 P ATOM 258 OP1 A B 60 11.977 2.218 -3.743 1.00 0.00 O ATOM 259 OP2 A B 60 9.562 2.086 -4.595 1.00 0.00 O ATOM 260 O5' A B 60 10.233 3.811 -2.907 1.00 0.00 O ATOM 261 C5' A B 60 11.115 4.783 -2.338 1.00 0.00 C ATOM 262 C4' A B 60 10.440 5.576 -1.222 1.00 0.00 C ATOM 263 O4' A B 60 9.499 6.532 -1.732 1.00 0.00 O ATOM 264 C3' A B 60 9.621 4.673 -0.321 1.00 0.00 C ATOM 265 O3' A B 60 10.474 4.129 0.692 1.00 0.00 O ATOM 266 C2' A B 60 8.672 5.670 0.310 1.00 0.00 C ATOM 267 O2' A B 60 9.312 6.422 1.347 1.00 0.00 O ATOM 268 C1' A B 60 8.330 6.548 -0.887 1.00 0.00 C ATOM 269 N9 A B 60 7.141 6.036 -1.601 1.00 0.00 N ATOM 270 C8 A B 60 7.051 5.271 -2.720 1.00 0.00 C ATOM 271 N7 A B 60 5.869 4.956 -3.134 1.00 0.00 N ATOM 272 C5 A B 60 5.060 5.585 -2.181 1.00 0.00 C ATOM 273 C6 A B 60 3.672 5.663 -2.017 1.00 0.00 C ATOM 274 N6 A B 60 2.804 5.073 -2.843 1.00 0.00 N ATOM 275 N1 A B 60 3.213 6.372 -0.968 1.00 0.00 N ATOM 276 C2 A B 60 4.067 6.970 -0.131 1.00 0.00 C ATOM 277 N3 A B 60 5.393 6.958 -0.193 1.00 0.00 N ATOM 278 C4 A B 60 5.828 6.245 -1.249 1.00 0.00 C ATOM 0 H5' A B 60 11.453 5.467 -3.117 1.00 0.00 H new ATOM 0 H5'' A B 60 12.001 4.284 -1.945 1.00 0.00 H new ATOM 0 H4' A B 60 11.257 6.063 -0.689 1.00 0.00 H new ATOM 0 H3' A B 60 9.135 3.839 -0.827 1.00 0.00 H new ATOM 0 H2' A B 60 7.807 5.219 0.797 1.00 0.00 H new ATOM 0 HO2' A B 60 10.125 5.957 1.634 1.00 0.00 H new ATOM 0 H1' A B 60 8.079 7.563 -0.579 1.00 0.00 H new ATOM 0 H8 A B 60 7.935 4.939 -3.244 1.00 0.00 H new ATOM 0 H61 A B 60 1.801 5.162 -2.677 1.00 0.00 H new ATOM 0 H62 A B 60 3.144 4.534 -3.639 1.00 0.00 H new ATOM 0 H2 A B 60 3.630 7.524 0.686 1.00 0.00 H new ATOM 290 P G B 61 10.321 2.586 1.135 1.00 0.00 P ATOM 291 OP1 G B 61 11.503 2.216 1.945 1.00 0.00 O ATOM 292 OP2 G B 61 9.972 1.792 -0.065 1.00 0.00 O ATOM 293 O5' G B 61 9.036 2.621 2.104 1.00 0.00 O ATOM 294 C5' G B 61 9.138 3.167 3.420 1.00 0.00 C ATOM 295 C4' G B 61 7.765 3.386 4.045 1.00 0.00 C ATOM 296 O4' G B 61 6.981 4.278 3.250 1.00 0.00 O ATOM 297 C3' G B 61 6.960 2.098 4.114 1.00 0.00 C ATOM 298 O3' G B 61 7.157 1.492 5.394 1.00 0.00 O ATOM 299 C2' G B 61 5.522 2.565 4.036 1.00 0.00 C ATOM 300 O2' G B 61 4.963 2.777 5.337 1.00 0.00 O ATOM 301 C1' G B 61 5.608 3.860 3.246 1.00 0.00 C ATOM 302 N9 G B 61 5.106 3.633 1.881 1.00 0.00 N ATOM 303 C8 G B 61 5.775 3.384 0.727 1.00 0.00 C ATOM 304 N7 G B 61 5.073 3.190 -0.339 1.00 0.00 N ATOM 305 C5 G B 61 3.771 3.318 0.153 1.00 0.00 C ATOM 306 C6 G B 61 2.526 3.209 -0.519 1.00 0.00 C ATOM 307 O6 G B 61 2.318 2.977 -1.708 1.00 0.00 O ATOM 308 N1 G B 61 1.462 3.404 0.352 1.00 0.00 N ATOM 309 C2 G B 61 1.575 3.669 1.700 1.00 0.00 C ATOM 310 N2 G B 61 0.438 3.810 2.372 1.00 0.00 N ATOM 311 N3 G B 61 2.739 3.774 2.336 1.00 0.00 N ATOM 312 C4 G B 61 3.789 3.589 1.511 1.00 0.00 C ATOM 0 H5' G B 61 9.676 4.114 3.381 1.00 0.00 H new ATOM 0 H5'' G B 61 9.722 2.495 4.049 1.00 0.00 H new ATOM 0 H4' G B 61 7.957 3.783 5.042 1.00 0.00 H new ATOM 0 H3' G B 61 7.235 1.385 3.337 1.00 0.00 H new ATOM 0 H2' G B 61 4.867 1.830 3.568 1.00 0.00 H new ATOM 0 HO2' G B 61 3.993 2.643 5.302 1.00 0.00 H new ATOM 0 H1' G B 61 4.995 4.644 3.690 1.00 0.00 H new ATOM 0 H8 G B 61 6.854 3.349 0.701 1.00 0.00 H new ATOM 0 H1 G B 61 0.521 3.346 -0.037 1.00 0.00 H new ATOM 0 H21 G B 61 0.458 4.007 3.373 1.00 0.00 H new ATOM 0 H22 G B 61 -0.455 3.721 1.887 1.00 0.00 H new ATOM 324 P U B 62 6.628 -0.007 5.673 1.00 0.00 P ATOM 325 OP1 U B 62 7.356 -0.548 6.843 1.00 0.00 O ATOM 326 OP2 U B 62 6.631 -0.748 4.392 1.00 0.00 O ATOM 327 O5' U B 62 5.097 0.260 6.105 1.00 0.00 O ATOM 328 C5' U B 62 4.823 0.926 7.341 1.00 0.00 C ATOM 329 C4' U B 62 3.379 1.422 7.445 1.00 0.00 C ATOM 330 O4' U B 62 3.036 2.275 6.346 1.00 0.00 O ATOM 331 C3' U B 62 2.352 0.304 7.378 1.00 0.00 C ATOM 332 O3' U B 62 2.153 -0.256 8.678 1.00 0.00 O ATOM 333 C2' U B 62 1.114 1.093 7.012 1.00 0.00 C ATOM 334 O2' U B 62 0.615 1.845 8.125 1.00 0.00 O ATOM 335 C1' U B 62 1.682 1.994 5.937 1.00 0.00 C ATOM 336 N1 U B 62 1.653 1.308 4.641 1.00 0.00 N ATOM 337 C2 U B 62 0.446 1.242 3.968 1.00 0.00 C ATOM 338 O2 U B 62 -0.593 1.692 4.443 1.00 0.00 O ATOM 339 N3 U B 62 0.475 0.619 2.734 1.00 0.00 N ATOM 340 C4 U B 62 1.594 0.071 2.127 1.00 0.00 C ATOM 341 O4 U B 62 1.515 -0.439 1.012 1.00 0.00 O ATOM 342 C5 U B 62 2.803 0.184 2.915 1.00 0.00 C ATOM 343 C6 U B 62 2.790 0.782 4.124 1.00 0.00 C ATOM 0 H5' U B 62 5.501 1.773 7.449 1.00 0.00 H new ATOM 0 H5'' U B 62 5.028 0.246 8.167 1.00 0.00 H new ATOM 0 H4' U B 62 3.348 1.931 8.408 1.00 0.00 H new ATOM 0 H3' U B 62 2.618 -0.513 6.707 1.00 0.00 H new ATOM 0 H2' U B 62 0.261 0.489 6.701 1.00 0.00 H new ATOM 0 HO2' U B 62 1.011 1.504 8.954 1.00 0.00 H new ATOM 0 H1' U B 62 1.107 2.912 5.820 1.00 0.00 H new ATOM 0 H3 U B 62 -0.406 0.557 2.225 1.00 0.00 H new ATOM 0 H5 U B 62 3.729 -0.216 2.529 1.00 0.00 H new ATOM 0 H6 U B 62 3.706 0.843 4.693 1.00 0.00 H new ATOM 354 P G B 63 1.572 -1.752 8.822 1.00 0.00 P ATOM 355 OP1 G B 63 1.367 -2.031 10.261 1.00 0.00 O ATOM 356 OP2 G B 63 2.415 -2.656 8.008 1.00 0.00 O ATOM 357 O5' G B 63 0.124 -1.640 8.117 1.00 0.00 O ATOM 358 C5' G B 63 -0.891 -0.798 8.670 1.00 0.00 C ATOM 359 C4' G B 63 -2.223 -0.938 7.929 1.00 0.00 C ATOM 360 O4' G B 63 -2.223 -0.240 6.678 1.00 0.00 O ATOM 361 C3' G B 63 -2.518 -2.381 7.563 1.00 0.00 C ATOM 362 O3' G B 63 -3.176 -2.999 8.669 1.00 0.00 O ATOM 363 C2' G B 63 -3.512 -2.207 6.430 1.00 0.00 C ATOM 364 O2' G B 63 -4.827 -1.916 6.918 1.00 0.00 O ATOM 365 C1' G B 63 -2.917 -1.030 5.690 1.00 0.00 C ATOM 366 N9 G B 63 -1.995 -1.491 4.636 1.00 0.00 N ATOM 367 C8 G B 63 -0.645 -1.561 4.646 1.00 0.00 C ATOM 368 N7 G B 63 -0.054 -1.937 3.567 1.00 0.00 N ATOM 369 C5 G B 63 -1.136 -2.160 2.716 1.00 0.00 C ATOM 370 C6 G B 63 -1.152 -2.595 1.370 1.00 0.00 C ATOM 371 O6 G B 63 -0.196 -2.866 0.647 1.00 0.00 O ATOM 372 N1 G B 63 -2.448 -2.696 0.884 1.00 0.00 N ATOM 373 C2 G B 63 -3.593 -2.416 1.602 1.00 0.00 C ATOM 374 N2 G B 63 -4.749 -2.599 0.963 1.00 0.00 N ATOM 375 N3 G B 63 -3.587 -2.000 2.872 1.00 0.00 N ATOM 376 C4 G B 63 -2.333 -1.893 3.366 1.00 0.00 C ATOM 0 H5' G B 63 -0.562 0.240 8.630 1.00 0.00 H new ATOM 0 H5'' G B 63 -1.034 -1.046 9.722 1.00 0.00 H new ATOM 0 H4' G B 63 -2.962 -0.531 8.619 1.00 0.00 H new ATOM 0 H3' G B 63 -1.644 -2.981 7.308 1.00 0.00 H new ATOM 0 H2' G B 63 -3.646 -3.097 5.816 1.00 0.00 H new ATOM 0 HO2' G B 63 -4.828 -1.952 7.897 1.00 0.00 H new ATOM 0 H1' G B 63 -3.689 -0.442 5.193 1.00 0.00 H new ATOM 0 H8 G B 63 -0.081 -1.309 5.532 1.00 0.00 H new ATOM 0 H1 G B 63 -2.564 -3.002 -0.082 1.00 0.00 H new ATOM 0 H21 G B 63 -5.631 -2.409 1.440 1.00 0.00 H new ATOM 0 H22 G B 63 -4.751 -2.928 -0.002 1.00 0.00 H new ATOM 388 P U B 64 -2.840 -4.521 9.065 1.00 0.00 P ATOM 389 OP1 U B 64 -3.409 -4.791 10.404 1.00 0.00 O ATOM 390 OP2 U B 64 -1.402 -4.760 8.811 1.00 0.00 O ATOM 391 O5' U B 64 -3.687 -5.348 7.980 1.00 0.00 O ATOM 392 C5' U B 64 -5.093 -5.131 7.849 1.00 0.00 C ATOM 393 C4' U B 64 -5.654 -5.836 6.621 1.00 0.00 C ATOM 394 O4' U B 64 -5.441 -5.081 5.423 1.00 0.00 O ATOM 395 C3' U B 64 -4.948 -7.155 6.381 1.00 0.00 C ATOM 396 O3' U B 64 -5.613 -8.175 7.128 1.00 0.00 O ATOM 397 C2' U B 64 -5.205 -7.382 4.906 1.00 0.00 C ATOM 398 O2' U B 64 -6.497 -7.957 4.682 1.00 0.00 O ATOM 399 C1' U B 64 -5.117 -5.975 4.343 1.00 0.00 C ATOM 400 N1 U B 64 -3.779 -5.688 3.791 1.00 0.00 N ATOM 401 C2 U B 64 -3.607 -5.878 2.433 1.00 0.00 C ATOM 402 O2 U B 64 -4.510 -6.305 1.715 1.00 0.00 O ATOM 403 N3 U B 64 -2.360 -5.569 1.926 1.00 0.00 N ATOM 404 C4 U B 64 -1.279 -5.096 2.654 1.00 0.00 C ATOM 405 O4 U B 64 -0.210 -4.848 2.100 1.00 0.00 O ATOM 406 C5 U B 64 -1.548 -4.930 4.067 1.00 0.00 C ATOM 407 C6 U B 64 -2.763 -5.224 4.584 1.00 0.00 C ATOM 0 H5' U B 64 -5.292 -4.062 7.779 1.00 0.00 H new ATOM 0 H5'' U B 64 -5.603 -5.492 8.742 1.00 0.00 H new ATOM 0 H4' U B 64 -6.717 -5.965 6.825 1.00 0.00 H new ATOM 0 H3' U B 64 -3.895 -7.161 6.661 1.00 0.00 H new ATOM 0 H2' U B 64 -4.507 -8.080 4.444 1.00 0.00 H new ATOM 0 HO2' U B 64 -6.906 -8.187 5.542 1.00 0.00 H new ATOM 0 H1' U B 64 -5.811 -5.851 3.512 1.00 0.00 H new ATOM 0 H3 U B 64 -2.222 -5.701 0.924 1.00 0.00 H new ATOM 0 H5 U B 64 -0.767 -4.566 4.718 1.00 0.00 H new ATOM 0 H6 U B 64 -2.935 -5.090 5.642 1.00 0.00 H new ATOM 418 P C B 65 -4.762 -9.333 7.854 1.00 0.00 P ATOM 419 OP1 C B 65 -5.659 -10.054 8.784 1.00 0.00 O ATOM 420 OP2 C B 65 -3.502 -8.739 8.354 1.00 0.00 O ATOM 421 O5' C B 65 -4.404 -10.320 6.633 1.00 0.00 O ATOM 422 C5' C B 65 -5.448 -10.962 5.900 1.00 0.00 C ATOM 423 C4' C B 65 -4.913 -11.703 4.680 1.00 0.00 C ATOM 424 O4' C B 65 -4.689 -10.818 3.584 1.00 0.00 O ATOM 425 C3' C B 65 -3.572 -12.355 4.962 1.00 0.00 C ATOM 426 O3' C B 65 -3.729 -13.641 5.573 1.00 0.00 O ATOM 427 C2' C B 65 -2.982 -12.467 3.568 1.00 0.00 C ATOM 428 O2' C B 65 -3.445 -13.642 2.895 1.00 0.00 O ATOM 429 C1' C B 65 -3.492 -11.197 2.893 1.00 0.00 C ATOM 430 N1 C B 65 -2.494 -10.125 2.972 1.00 0.00 N ATOM 431 C2 C B 65 -1.649 -9.950 1.894 1.00 0.00 C ATOM 432 O2 C B 65 -1.727 -10.698 0.921 1.00 0.00 O ATOM 433 N3 C B 65 -0.744 -8.934 1.944 1.00 0.00 N ATOM 434 C4 C B 65 -0.680 -8.124 3.010 1.00 0.00 C ATOM 435 N4 C B 65 0.234 -7.155 3.041 1.00 0.00 N ATOM 436 C5 C B 65 -1.564 -8.308 4.122 1.00 0.00 C ATOM 437 C6 C B 65 -2.441 -9.319 4.060 1.00 0.00 C ATOM 0 H5' C B 65 -6.178 -10.218 5.582 1.00 0.00 H new ATOM 0 H5'' C B 65 -5.970 -11.663 6.551 1.00 0.00 H new ATOM 0 H4' C B 65 -5.672 -12.448 4.440 1.00 0.00 H new ATOM 0 H3' C B 65 -2.949 -11.796 5.660 1.00 0.00 H new ATOM 0 H2' C B 65 -1.896 -12.555 3.562 1.00 0.00 H new ATOM 0 HO2' C B 65 -3.698 -14.320 3.556 1.00 0.00 H new ATOM 0 HO3' C B 65 -2.847 -14.034 5.740 1.00 0.00 H new ATOM 0 H1' C B 65 -3.686 -11.373 1.835 1.00 0.00 H new ATOM 0 H41 C B 65 0.291 -6.533 3.848 1.00 0.00 H new ATOM 0 H42 C B 65 0.877 -7.035 2.258 1.00 0.00 H new ATOM 0 H5 C B 65 -1.525 -7.654 4.981 1.00 0.00 H new ATOM 0 H6 C B 65 -3.114 -9.494 4.887 1.00 0.00 H new TER 450 C B 65