USER MOD reduce.3.24.130724 H: found=0, std=0, add=154, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 154 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 -14:sc= 0.34 USER MOD Single : A 1 G O5' : rot -8:sc= 0.391! USER MOD Single : A 2 G O2' : rot -24:sc= 0.33 USER MOD Single : A 3 U O2' : rot -15:sc= 0.278 USER MOD Single : A 4 U O2' : rot -6:sc= -0.106 USER MOD Single : A 5 C O2' : rot -0:sc= 0.281 USER MOD Single : A 6 A O2' : rot -8:sc= 0.0981 USER MOD Single : A 7 G O2' : rot -27:sc= 0.368 USER MOD Single : A 8 A O2' : rot -152:sc= -6.58! USER MOD Single : A 9 A O2' : rot -9:sc= 0.606 USER MOD Single : A 10 G O2' : rot -29:sc= 0.283 USER MOD Single : A 11 A O2' : rot -6:sc= 0.306 USER MOD Single : A 12 A O2' : rot -9:sc= -1.02 USER MOD Single : A 13 C O2' : rot -8:sc= 0.406 USER MOD Single : A 14 C O2' : rot -11:sc= 0.241 USER MOD Single : A 14 C O3' : rot 180:sc= 0.238 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -3.577 -6.458 -9.300 1.00 0.00 O ATOM 2 C5' G A 1 -4.902 -6.513 -9.834 1.00 0.00 C ATOM 3 C4' G A 1 -5.757 -7.547 -9.108 1.00 0.00 C ATOM 4 O4' G A 1 -5.069 -8.797 -8.987 1.00 0.00 O ATOM 5 C3' G A 1 -6.065 -7.097 -7.686 1.00 0.00 C ATOM 6 O3' G A 1 -7.356 -6.484 -7.676 1.00 0.00 O ATOM 7 C2' G A 1 -6.148 -8.401 -6.915 1.00 0.00 C ATOM 8 O2' G A 1 -7.456 -8.976 -6.992 1.00 0.00 O ATOM 9 C1' G A 1 -5.115 -9.262 -7.629 1.00 0.00 C ATOM 10 N9 G A 1 -3.796 -9.141 -6.980 1.00 0.00 N ATOM 11 C8 G A 1 -2.642 -8.612 -7.456 1.00 0.00 C ATOM 12 N7 G A 1 -1.615 -8.614 -6.674 1.00 0.00 N ATOM 13 C5 G A 1 -2.134 -9.220 -5.525 1.00 0.00 C ATOM 14 C6 G A 1 -1.501 -9.517 -4.287 1.00 0.00 C ATOM 15 O6 G A 1 -0.338 -9.301 -3.954 1.00 0.00 O ATOM 16 N1 G A 1 -2.379 -10.126 -3.399 1.00 0.00 N ATOM 17 C2 G A 1 -3.703 -10.416 -3.663 1.00 0.00 C ATOM 18 N2 G A 1 -4.386 -11.005 -2.680 1.00 0.00 N ATOM 19 N3 G A 1 -4.306 -10.139 -4.824 1.00 0.00 N ATOM 20 C4 G A 1 -3.470 -9.544 -5.705 1.00 0.00 C ATOM 0 H5' G A 1 -4.857 -6.757 -10.895 1.00 0.00 H new ATOM 0 H5'' G A 1 -5.369 -5.532 -9.752 1.00 0.00 H new ATOM 0 H4' G A 1 -6.668 -7.656 -9.697 1.00 0.00 H new ATOM 0 H3' G A 1 -5.335 -6.396 -7.282 1.00 0.00 H new ATOM 0 H2' G A 1 -5.961 -8.289 -5.847 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.088 -8.307 -7.329 1.00 0.00 H new ATOM 0 HO5' G A 1 -3.528 -7.005 -8.488 1.00 0.00 H new ATOM 0 H1' G A 1 -5.384 -10.317 -7.589 1.00 0.00 H new ATOM 0 H8 G A 1 -2.584 -8.203 -8.454 1.00 0.00 H new ATOM 0 H1 G A 1 -2.017 -10.379 -2.480 1.00 0.00 H new ATOM 0 H21 G A 1 -5.368 -11.244 -2.814 1.00 0.00 H new ATOM 0 H22 G A 1 -3.926 -11.216 -1.794 1.00 0.00 H new ATOM 33 P G A 2 -7.595 -5.112 -6.871 1.00 0.00 P ATOM 34 OP1 G A 2 -8.797 -4.452 -7.427 1.00 0.00 O ATOM 35 OP2 G A 2 -6.311 -4.379 -6.813 1.00 0.00 O ATOM 36 O5' G A 2 -7.946 -5.631 -5.389 1.00 0.00 O ATOM 37 C5' G A 2 -9.298 -5.916 -5.026 1.00 0.00 C ATOM 38 C4' G A 2 -9.396 -6.488 -3.616 1.00 0.00 C ATOM 39 O4' G A 2 -8.464 -7.557 -3.416 1.00 0.00 O ATOM 40 C3' G A 2 -9.044 -5.440 -2.573 1.00 0.00 C ATOM 41 O3' G A 2 -10.248 -4.790 -2.160 1.00 0.00 O ATOM 42 C2' G A 2 -8.524 -6.276 -1.419 1.00 0.00 C ATOM 43 O2' G A 2 -9.594 -6.759 -0.598 1.00 0.00 O ATOM 44 C1' G A 2 -7.813 -7.414 -2.142 1.00 0.00 C ATOM 45 N9 G A 2 -6.380 -7.112 -2.310 1.00 0.00 N ATOM 46 C8 G A 2 -5.697 -6.757 -3.426 1.00 0.00 C ATOM 47 N7 G A 2 -4.430 -6.537 -3.308 1.00 0.00 N ATOM 48 C5 G A 2 -4.226 -6.771 -1.944 1.00 0.00 C ATOM 49 C6 G A 2 -3.032 -6.695 -1.176 1.00 0.00 C ATOM 50 O6 G A 2 -1.900 -6.401 -1.554 1.00 0.00 O ATOM 51 N1 G A 2 -3.264 -7.006 0.158 1.00 0.00 N ATOM 52 C2 G A 2 -4.488 -7.350 0.694 1.00 0.00 C ATOM 53 N2 G A 2 -4.504 -7.615 1.999 1.00 0.00 N ATOM 54 N3 G A 2 -5.616 -7.424 -0.021 1.00 0.00 N ATOM 55 C4 G A 2 -5.416 -7.124 -1.326 1.00 0.00 C ATOM 0 H5' G A 2 -9.724 -6.625 -5.736 1.00 0.00 H new ATOM 0 H5'' G A 2 -9.892 -5.004 -5.091 1.00 0.00 H new ATOM 0 H4' G A 2 -10.424 -6.834 -3.509 1.00 0.00 H new ATOM 0 H3' G A 2 -8.341 -4.684 -2.923 1.00 0.00 H new ATOM 0 H2' G A 2 -7.879 -5.725 -0.734 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.373 -6.172 -0.697 1.00 0.00 H new ATOM 0 H1' G A 2 -7.871 -8.340 -1.570 1.00 0.00 H new ATOM 0 H8 G A 2 -6.195 -6.662 -4.380 1.00 0.00 H new ATOM 0 H1 G A 2 -2.465 -6.978 0.792 1.00 0.00 H new ATOM 0 H21 G A 2 -5.378 -7.875 2.456 1.00 0.00 H new ATOM 0 H22 G A 2 -3.642 -7.557 2.542 1.00 0.00 H new ATOM 67 P U A 3 -10.284 -3.192 -1.968 1.00 0.00 P ATOM 68 OP1 U A 3 -11.699 -2.772 -1.852 1.00 0.00 O ATOM 69 OP2 U A 3 -9.415 -2.580 -2.997 1.00 0.00 O ATOM 70 O5' U A 3 -9.581 -2.995 -0.534 1.00 0.00 O ATOM 71 C5' U A 3 -10.357 -3.036 0.665 1.00 0.00 C ATOM 72 C4' U A 3 -9.472 -3.163 1.901 1.00 0.00 C ATOM 73 O4' U A 3 -8.468 -4.166 1.730 1.00 0.00 O ATOM 74 C3' U A 3 -8.703 -1.882 2.158 1.00 0.00 C ATOM 75 O3' U A 3 -9.495 -1.027 2.983 1.00 0.00 O ATOM 76 C2' U A 3 -7.515 -2.368 2.966 1.00 0.00 C ATOM 77 O2' U A 3 -7.830 -2.472 4.360 1.00 0.00 O ATOM 78 C1' U A 3 -7.241 -3.739 2.352 1.00 0.00 C ATOM 79 N1 U A 3 -6.144 -3.656 1.370 1.00 0.00 N ATOM 80 C2 U A 3 -4.854 -3.632 1.863 1.00 0.00 C ATOM 81 O2 U A 3 -4.614 -3.685 3.067 1.00 0.00 O ATOM 82 N3 U A 3 -3.845 -3.544 0.921 1.00 0.00 N ATOM 83 C4 U A 3 -4.012 -3.478 -0.451 1.00 0.00 C ATOM 84 O4 U A 3 -3.039 -3.401 -1.198 1.00 0.00 O ATOM 85 C5 U A 3 -5.393 -3.509 -0.878 1.00 0.00 C ATOM 86 C6 U A 3 -6.399 -3.596 0.027 1.00 0.00 C ATOM 0 H5' U A 3 -11.048 -3.878 0.623 1.00 0.00 H new ATOM 0 H5'' U A 3 -10.960 -2.131 0.740 1.00 0.00 H new ATOM 0 H4' U A 3 -10.149 -3.407 2.719 1.00 0.00 H new ATOM 0 H3' U A 3 -8.435 -1.337 1.253 1.00 0.00 H new ATOM 0 H2' U A 3 -6.660 -1.693 2.927 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.662 -1.987 4.545 1.00 0.00 H new ATOM 0 H1' U A 3 -6.928 -4.456 3.111 1.00 0.00 H new ATOM 0 H3 U A 3 -2.887 -3.526 1.271 1.00 0.00 H new ATOM 0 H5 U A 3 -5.626 -3.462 -1.931 1.00 0.00 H new ATOM 0 H6 U A 3 -7.422 -3.618 -0.319 1.00 0.00 H new ATOM 97 P U A 4 -9.347 0.571 2.863 1.00 0.00 P ATOM 98 OP1 U A 4 -10.461 1.197 3.609 1.00 0.00 O ATOM 99 OP2 U A 4 -9.131 0.909 1.438 1.00 0.00 O ATOM 100 O5' U A 4 -7.979 0.857 3.661 1.00 0.00 O ATOM 101 C5' U A 4 -8.006 1.125 5.065 1.00 0.00 C ATOM 102 C4' U A 4 -6.601 1.187 5.657 1.00 0.00 C ATOM 103 O4' U A 4 -5.763 0.151 5.145 1.00 0.00 O ATOM 104 C3' U A 4 -5.895 2.473 5.276 1.00 0.00 C ATOM 105 O3' U A 4 -6.224 3.483 6.233 1.00 0.00 O ATOM 106 C2' U A 4 -4.433 2.107 5.451 1.00 0.00 C ATOM 107 O2' U A 4 -4.003 2.295 6.803 1.00 0.00 O ATOM 108 C1' U A 4 -4.407 0.628 5.057 1.00 0.00 C ATOM 109 N1 U A 4 -3.868 0.465 3.695 1.00 0.00 N ATOM 110 C2 U A 4 -2.494 0.490 3.553 1.00 0.00 C ATOM 111 O2 U A 4 -1.741 0.627 4.514 1.00 0.00 O ATOM 112 N3 U A 4 -2.013 0.355 2.264 1.00 0.00 N ATOM 113 C4 U A 4 -2.776 0.196 1.120 1.00 0.00 C ATOM 114 O4 U A 4 -2.241 0.086 0.020 1.00 0.00 O ATOM 115 C5 U A 4 -4.202 0.180 1.362 1.00 0.00 C ATOM 116 C6 U A 4 -4.696 0.311 2.617 1.00 0.00 C ATOM 0 H5' U A 4 -8.580 0.350 5.572 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.518 2.070 5.245 1.00 0.00 H new ATOM 0 H4' U A 4 -6.744 1.098 6.734 1.00 0.00 H new ATOM 0 H3' U A 4 -6.152 2.841 4.282 1.00 0.00 H new ATOM 0 H2' U A 4 -3.761 2.725 4.856 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.720 2.719 7.318 1.00 0.00 H new ATOM 0 H1' U A 4 -3.759 0.055 5.719 1.00 0.00 H new ATOM 0 H3 U A 4 -1.000 0.374 2.145 1.00 0.00 H new ATOM 0 H5 U A 4 -4.882 0.062 0.531 1.00 0.00 H new ATOM 0 H6 U A 4 -5.765 0.293 2.769 1.00 0.00 H new ATOM 127 P C A 5 -6.131 5.038 5.832 1.00 0.00 P ATOM 128 OP1 C A 5 -6.536 5.844 7.006 1.00 0.00 O ATOM 129 OP2 C A 5 -6.823 5.224 4.537 1.00 0.00 O ATOM 130 O5' C A 5 -4.550 5.251 5.595 1.00 0.00 O ATOM 131 C5' C A 5 -3.673 5.456 6.706 1.00 0.00 C ATOM 132 C4' C A 5 -2.240 5.739 6.258 1.00 0.00 C ATOM 133 O4' C A 5 -1.708 4.665 5.488 1.00 0.00 O ATOM 134 C3' C A 5 -2.167 6.947 5.341 1.00 0.00 C ATOM 135 O3' C A 5 -1.997 8.120 6.142 1.00 0.00 O ATOM 136 C2' C A 5 -0.879 6.707 4.568 1.00 0.00 C ATOM 137 O2' C A 5 0.248 7.282 5.241 1.00 0.00 O ATOM 138 C1' C A 5 -0.778 5.180 4.520 1.00 0.00 C ATOM 139 N1 C A 5 -1.084 4.677 3.167 1.00 0.00 N ATOM 140 C2 C A 5 -0.034 4.591 2.267 1.00 0.00 C ATOM 141 O2 C A 5 1.096 4.931 2.607 1.00 0.00 O ATOM 142 N3 C A 5 -0.294 4.128 1.015 1.00 0.00 N ATOM 143 C4 C A 5 -1.532 3.762 0.659 1.00 0.00 C ATOM 144 N4 C A 5 -1.751 3.312 -0.576 1.00 0.00 N ATOM 145 C5 C A 5 -2.619 3.848 1.584 1.00 0.00 C ATOM 146 C6 C A 5 -2.351 4.308 2.822 1.00 0.00 C ATOM 0 H5' C A 5 -3.685 4.573 7.346 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.037 6.290 7.306 1.00 0.00 H new ATOM 0 H4' C A 5 -1.680 5.895 7.180 1.00 0.00 H new ATOM 0 H3' C A 5 -3.048 7.075 4.712 1.00 0.00 H new ATOM 0 H2' C A 5 -0.885 7.165 3.579 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.051 7.720 6.065 1.00 0.00 H new ATOM 0 H1' C A 5 0.235 4.852 4.754 1.00 0.00 H new ATOM 0 H41 C A 5 -2.690 3.031 -0.857 1.00 0.00 H new ATOM 0 H42 C A 5 -0.979 3.249 -1.240 1.00 0.00 H new ATOM 0 H5 C A 5 -3.619 3.555 1.301 1.00 0.00 H new ATOM 0 H6 C A 5 -3.147 4.385 3.548 1.00 0.00 H new ATOM 158 P A A 6 -1.963 9.578 5.457 1.00 0.00 P ATOM 159 OP1 A A 6 -1.013 10.424 6.216 1.00 0.00 O ATOM 160 OP2 A A 6 -3.358 10.031 5.261 1.00 0.00 O ATOM 161 O5' A A 6 -1.325 9.277 4.008 1.00 0.00 O ATOM 162 C5' A A 6 -0.735 10.331 3.241 1.00 0.00 C ATOM 163 C4' A A 6 0.080 9.783 2.069 1.00 0.00 C ATOM 164 O4' A A 6 -0.088 8.375 1.930 1.00 0.00 O ATOM 165 C3' A A 6 -0.378 10.369 0.746 1.00 0.00 C ATOM 166 O3' A A 6 0.375 11.560 0.495 1.00 0.00 O ATOM 167 C2' A A 6 0.045 9.313 -0.263 1.00 0.00 C ATOM 168 O2' A A 6 1.375 9.548 -0.738 1.00 0.00 O ATOM 169 C1' A A 6 -0.036 8.012 0.540 1.00 0.00 C ATOM 170 N9 A A 6 -1.225 7.229 0.152 1.00 0.00 N ATOM 171 C8 A A 6 -2.312 6.879 0.883 1.00 0.00 C ATOM 172 N7 A A 6 -3.220 6.170 0.301 1.00 0.00 N ATOM 173 C5 A A 6 -2.682 6.024 -0.980 1.00 0.00 C ATOM 174 C6 A A 6 -3.136 5.369 -2.129 1.00 0.00 C ATOM 175 N6 A A 6 -4.291 4.707 -2.178 1.00 0.00 N ATOM 176 N1 A A 6 -2.356 5.424 -3.223 1.00 0.00 N ATOM 177 C2 A A 6 -1.195 6.081 -3.192 1.00 0.00 C ATOM 178 N3 A A 6 -0.670 6.734 -2.160 1.00 0.00 N ATOM 179 C4 A A 6 -1.469 6.666 -1.079 1.00 0.00 C ATOM 0 H5' A A 6 -0.092 10.933 3.883 1.00 0.00 H new ATOM 0 H5'' A A 6 -1.517 10.990 2.865 1.00 0.00 H new ATOM 0 H4' A A 6 1.114 10.048 2.289 1.00 0.00 H new ATOM 0 H3' A A 6 -1.441 10.608 0.715 1.00 0.00 H new ATOM 0 H2' A A 6 -0.579 9.304 -1.157 1.00 0.00 H new ATOM 0 HO2' A A 6 1.689 10.418 -0.414 1.00 0.00 H new ATOM 0 H1' A A 6 0.832 7.383 0.343 1.00 0.00 H new ATOM 0 H8 A A 6 -2.414 7.182 1.914 1.00 0.00 H new ATOM 0 H61 A A 6 -4.578 4.245 -3.041 1.00 0.00 H new ATOM 0 H62 A A 6 -4.888 4.662 -1.352 1.00 0.00 H new ATOM 0 H2 A A 6 -0.619 6.082 -4.105 1.00 0.00 H new ATOM 191 P G A 7 -0.344 12.866 -0.113 1.00 0.00 P ATOM 192 OP1 G A 7 0.702 13.862 -0.438 1.00 0.00 O ATOM 193 OP2 G A 7 -1.463 13.238 0.780 1.00 0.00 O ATOM 194 O5' G A 7 -0.961 12.315 -1.494 1.00 0.00 O ATOM 195 C5' G A 7 -0.100 11.887 -2.552 1.00 0.00 C ATOM 196 C4' G A 7 -0.854 11.070 -3.596 1.00 0.00 C ATOM 197 O4' G A 7 -1.614 10.026 -2.984 1.00 0.00 O ATOM 198 C3' G A 7 -1.851 11.943 -4.365 1.00 0.00 C ATOM 199 O3' G A 7 -1.676 11.685 -5.759 1.00 0.00 O ATOM 200 C2' G A 7 -3.220 11.412 -3.958 1.00 0.00 C ATOM 201 O2' G A 7 -4.152 11.481 -5.042 1.00 0.00 O ATOM 202 C1' G A 7 -2.903 9.977 -3.584 1.00 0.00 C ATOM 203 N9 G A 7 -3.900 9.424 -2.651 1.00 0.00 N ATOM 204 C8 G A 7 -4.590 8.262 -2.723 1.00 0.00 C ATOM 205 N7 G A 7 -5.400 7.984 -1.757 1.00 0.00 N ATOM 206 C5 G A 7 -5.240 9.096 -0.925 1.00 0.00 C ATOM 207 C6 G A 7 -5.861 9.400 0.317 1.00 0.00 C ATOM 208 O6 G A 7 -6.687 8.736 0.937 1.00 0.00 O ATOM 209 N1 G A 7 -5.421 10.618 0.822 1.00 0.00 N ATOM 210 C2 G A 7 -4.498 11.445 0.213 1.00 0.00 C ATOM 211 N2 G A 7 -4.204 12.575 0.856 1.00 0.00 N ATOM 212 N3 G A 7 -3.909 11.165 -0.954 1.00 0.00 N ATOM 213 C4 G A 7 -4.323 9.984 -1.466 1.00 0.00 C ATOM 0 H5' G A 7 0.714 11.290 -2.140 1.00 0.00 H new ATOM 0 H5'' G A 7 0.352 12.757 -3.028 1.00 0.00 H new ATOM 0 H4' G A 7 -0.099 10.659 -4.266 1.00 0.00 H new ATOM 0 H3' G A 7 -1.730 13.008 -4.165 1.00 0.00 H new ATOM 0 H2' G A 7 -3.691 11.979 -3.155 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.891 12.202 -5.652 1.00 0.00 H new ATOM 0 H1' G A 7 -2.925 9.324 -4.456 1.00 0.00 H new ATOM 0 H8 G A 7 -4.467 7.590 -3.560 1.00 0.00 H new ATOM 0 H1 G A 7 -5.811 10.925 1.713 1.00 0.00 H new ATOM 0 H21 G A 7 -3.529 13.228 0.457 1.00 0.00 H new ATOM 0 H22 G A 7 -4.654 12.787 1.747 1.00 0.00 H new ATOM 225 P A A 8 -1.675 12.890 -6.825 1.00 0.00 P ATOM 226 OP1 A A 8 -0.640 13.865 -6.419 1.00 0.00 O ATOM 227 OP2 A A 8 -3.072 13.339 -7.020 1.00 0.00 O ATOM 228 O5' A A 8 -1.183 12.167 -8.178 1.00 0.00 O ATOM 229 C5' A A 8 -1.419 10.771 -8.397 1.00 0.00 C ATOM 230 C4' A A 8 -0.329 10.153 -9.265 1.00 0.00 C ATOM 231 O4' A A 8 0.959 10.708 -8.954 1.00 0.00 O ATOM 232 C3' A A 8 -0.205 8.654 -9.011 1.00 0.00 C ATOM 233 O3' A A 8 0.294 8.041 -10.204 1.00 0.00 O ATOM 234 C2' A A 8 0.882 8.585 -7.960 1.00 0.00 C ATOM 235 O2' A A 8 1.520 7.303 -7.939 1.00 0.00 O ATOM 236 C1' A A 8 1.817 9.676 -8.448 1.00 0.00 C ATOM 237 N9 A A 8 2.683 10.174 -7.365 1.00 0.00 N ATOM 238 C8 A A 8 2.356 10.720 -6.169 1.00 0.00 C ATOM 239 N7 A A 8 3.324 11.078 -5.391 1.00 0.00 N ATOM 240 C5 A A 8 4.442 10.730 -6.158 1.00 0.00 C ATOM 241 C6 A A 8 5.820 10.839 -5.934 1.00 0.00 C ATOM 242 N6 A A 8 6.341 11.350 -4.819 1.00 0.00 N ATOM 243 N1 A A 8 6.641 10.398 -6.904 1.00 0.00 N ATOM 244 C2 A A 8 6.142 9.882 -8.029 1.00 0.00 C ATOM 245 N3 A A 8 4.861 9.734 -8.344 1.00 0.00 N ATOM 246 C4 A A 8 4.058 10.181 -7.359 1.00 0.00 C ATOM 0 H5' A A 8 -2.389 10.635 -8.876 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.461 10.253 -7.439 1.00 0.00 H new ATOM 0 H4' A A 8 -0.614 10.360 -10.297 1.00 0.00 H new ATOM 0 H3' A A 8 -1.139 8.172 -8.721 1.00 0.00 H new ATOM 0 H2' A A 8 0.531 8.718 -6.937 1.00 0.00 H new ATOM 0 HO2' A A 8 1.860 7.121 -7.038 1.00 0.00 H new ATOM 0 H1' A A 8 2.499 9.307 -9.214 1.00 0.00 H new ATOM 0 H8 A A 8 1.325 10.851 -5.877 1.00 0.00 H new ATOM 0 H61 A A 8 7.353 11.406 -4.708 1.00 0.00 H new ATOM 0 H62 A A 8 5.727 11.686 -4.077 1.00 0.00 H new ATOM 0 H2 A A 8 6.859 9.548 -8.764 1.00 0.00 H new ATOM 258 P A A 9 -0.121 6.536 -10.600 1.00 0.00 P ATOM 259 OP1 A A 9 -0.837 6.579 -11.895 1.00 0.00 O ATOM 260 OP2 A A 9 -0.761 5.906 -9.424 1.00 0.00 O ATOM 261 O5' A A 9 1.308 5.829 -10.837 1.00 0.00 O ATOM 262 C5' A A 9 1.955 5.134 -9.769 1.00 0.00 C ATOM 263 C4' A A 9 3.408 5.580 -9.601 1.00 0.00 C ATOM 264 O4' A A 9 3.451 6.803 -8.852 1.00 0.00 O ATOM 265 C3' A A 9 4.215 4.551 -8.805 1.00 0.00 C ATOM 266 O3' A A 9 5.183 3.952 -9.665 1.00 0.00 O ATOM 267 C2' A A 9 5.015 5.371 -7.802 1.00 0.00 C ATOM 268 O2' A A 9 6.343 5.621 -8.279 1.00 0.00 O ATOM 269 C1' A A 9 4.233 6.656 -7.660 1.00 0.00 C ATOM 270 N9 A A 9 3.411 6.609 -6.430 1.00 0.00 N ATOM 271 C8 A A 9 2.338 5.837 -6.116 1.00 0.00 C ATOM 272 N7 A A 9 1.849 5.949 -4.926 1.00 0.00 N ATOM 273 C5 A A 9 2.690 6.912 -4.365 1.00 0.00 C ATOM 274 C6 A A 9 2.736 7.508 -3.102 1.00 0.00 C ATOM 275 N6 A A 9 1.882 7.211 -2.124 1.00 0.00 N ATOM 276 N1 A A 9 3.698 8.421 -2.883 1.00 0.00 N ATOM 277 C2 A A 9 4.565 8.730 -3.849 1.00 0.00 C ATOM 278 N3 A A 9 4.613 8.229 -5.077 1.00 0.00 N ATOM 279 C4 A A 9 3.640 7.318 -5.273 1.00 0.00 C ATOM 0 H5' A A 9 1.924 4.062 -9.961 1.00 0.00 H new ATOM 0 H5'' A A 9 1.412 5.307 -8.840 1.00 0.00 H new ATOM 0 H4' A A 9 3.829 5.699 -10.599 1.00 0.00 H new ATOM 0 H3' A A 9 3.568 3.795 -8.361 1.00 0.00 H new ATOM 0 H2' A A 9 5.138 4.855 -6.850 1.00 0.00 H new ATOM 0 HO2' A A 9 6.505 5.091 -9.087 1.00 0.00 H new ATOM 0 H1' A A 9 4.883 7.525 -7.555 1.00 0.00 H new ATOM 0 H8 A A 9 1.910 5.155 -6.835 1.00 0.00 H new ATOM 0 H61 A A 9 1.960 7.676 -1.220 1.00 0.00 H new ATOM 0 H62 A A 9 1.150 6.518 -2.279 1.00 0.00 H new ATOM 0 H2 A A 9 5.312 9.471 -3.604 1.00 0.00 H new ATOM 291 P G A 10 5.812 2.519 -9.283 1.00 0.00 P ATOM 292 OP1 G A 10 7.088 2.361 -10.015 1.00 0.00 O ATOM 293 OP2 G A 10 4.750 1.497 -9.421 1.00 0.00 O ATOM 294 O5' G A 10 6.147 2.687 -7.712 1.00 0.00 O ATOM 295 C5' G A 10 7.504 2.821 -7.270 1.00 0.00 C ATOM 296 C4' G A 10 7.598 3.244 -5.801 1.00 0.00 C ATOM 297 O4' G A 10 6.613 4.226 -5.463 1.00 0.00 O ATOM 298 C3' G A 10 7.324 2.085 -4.860 1.00 0.00 C ATOM 299 O3' G A 10 8.552 1.396 -4.604 1.00 0.00 O ATOM 300 C2' G A 10 6.898 2.797 -3.591 1.00 0.00 C ATOM 301 O2' G A 10 8.029 3.238 -2.830 1.00 0.00 O ATOM 302 C1' G A 10 6.101 3.973 -4.140 1.00 0.00 C ATOM 303 N9 G A 10 4.660 3.657 -4.169 1.00 0.00 N ATOM 304 C8 G A 10 3.896 3.174 -5.179 1.00 0.00 C ATOM 305 N7 G A 10 2.645 2.969 -4.941 1.00 0.00 N ATOM 306 C5 G A 10 2.542 3.360 -3.604 1.00 0.00 C ATOM 307 C6 G A 10 1.412 3.373 -2.744 1.00 0.00 C ATOM 308 O6 G A 10 0.257 3.039 -2.998 1.00 0.00 O ATOM 309 N1 G A 10 1.741 3.838 -1.477 1.00 0.00 N ATOM 310 C2 G A 10 3.000 4.241 -1.080 1.00 0.00 C ATOM 311 N2 G A 10 3.115 4.656 0.181 1.00 0.00 N ATOM 312 N3 G A 10 4.069 4.231 -1.883 1.00 0.00 N ATOM 313 C4 G A 10 3.772 3.782 -3.123 1.00 0.00 C ATOM 0 H5' G A 10 8.015 3.557 -7.891 1.00 0.00 H new ATOM 0 H5'' G A 10 8.024 1.873 -7.407 1.00 0.00 H new ATOM 0 H4' G A 10 8.611 3.629 -5.689 1.00 0.00 H new ATOM 0 H3' G A 10 6.599 1.365 -5.239 1.00 0.00 H new ATOM 0 H2' G A 10 6.333 2.167 -2.903 1.00 0.00 H new ATOM 0 HO2' G A 10 8.786 2.637 -2.991 1.00 0.00 H new ATOM 0 H1' G A 10 6.208 4.857 -3.511 1.00 0.00 H new ATOM 0 H8 G A 10 4.320 2.968 -6.150 1.00 0.00 H new ATOM 0 H1 G A 10 0.993 3.885 -0.785 1.00 0.00 H new ATOM 0 H21 G A 10 4.020 4.967 0.535 1.00 0.00 H new ATOM 0 H22 G A 10 2.298 4.663 0.792 1.00 0.00 H new ATOM 325 P A A 11 8.544 -0.175 -4.248 1.00 0.00 P ATOM 326 OP1 A A 11 9.948 -0.638 -4.169 1.00 0.00 O ATOM 327 OP2 A A 11 7.595 -0.850 -5.160 1.00 0.00 O ATOM 328 O5' A A 11 7.919 -0.200 -2.763 1.00 0.00 O ATOM 329 C5' A A 11 8.769 -0.091 -1.618 1.00 0.00 C ATOM 330 C4' A A 11 7.969 0.153 -0.340 1.00 0.00 C ATOM 331 O4' A A 11 6.884 1.052 -0.560 1.00 0.00 O ATOM 332 C3' A A 11 7.316 -1.123 0.156 1.00 0.00 C ATOM 333 O3' A A 11 8.235 -1.805 1.011 1.00 0.00 O ATOM 334 C2' A A 11 6.168 -0.603 1.004 1.00 0.00 C ATOM 335 O2' A A 11 6.575 -0.386 2.360 1.00 0.00 O ATOM 336 C1' A A 11 5.795 0.712 0.317 1.00 0.00 C ATOM 337 N9 A A 11 4.531 0.565 -0.429 1.00 0.00 N ATOM 338 C8 A A 11 4.318 0.404 -1.759 1.00 0.00 C ATOM 339 N7 A A 11 3.095 0.283 -2.157 1.00 0.00 N ATOM 340 C5 A A 11 2.397 0.372 -0.950 1.00 0.00 C ATOM 341 C6 A A 11 1.033 0.321 -0.636 1.00 0.00 C ATOM 342 N6 A A 11 0.079 0.158 -1.553 1.00 0.00 N ATOM 343 N1 A A 11 0.691 0.443 0.658 1.00 0.00 N ATOM 344 C2 A A 11 1.629 0.608 1.593 1.00 0.00 C ATOM 345 N3 A A 11 2.944 0.670 1.409 1.00 0.00 N ATOM 346 C4 A A 11 3.263 0.546 0.105 1.00 0.00 C ATOM 0 H5' A A 11 9.476 0.726 -1.766 1.00 0.00 H new ATOM 0 H5'' A A 11 9.355 -1.004 -1.512 1.00 0.00 H new ATOM 0 H4' A A 11 8.688 0.552 0.375 1.00 0.00 H new ATOM 0 H3' A A 11 7.011 -1.801 -0.641 1.00 0.00 H new ATOM 0 H2' A A 11 5.335 -1.303 1.067 1.00 0.00 H new ATOM 0 HO2' A A 11 7.493 -0.707 2.481 1.00 0.00 H new ATOM 0 H1' A A 11 5.637 1.505 1.048 1.00 0.00 H new ATOM 0 H8 A A 11 5.140 0.378 -2.459 1.00 0.00 H new ATOM 0 H61 A A 11 -0.901 0.128 -1.270 1.00 0.00 H new ATOM 0 H62 A A 11 0.329 0.064 -2.537 1.00 0.00 H new ATOM 0 H2 A A 11 1.281 0.701 2.611 1.00 0.00 H new ATOM 358 P A A 12 8.010 -3.360 1.365 1.00 0.00 P ATOM 359 OP1 A A 12 9.249 -3.878 1.986 1.00 0.00 O ATOM 360 OP2 A A 12 7.448 -4.030 0.171 1.00 0.00 O ATOM 361 O5' A A 12 6.864 -3.302 2.495 1.00 0.00 O ATOM 362 C5' A A 12 7.217 -3.177 3.874 1.00 0.00 C ATOM 363 C4' A A 12 6.010 -3.377 4.789 1.00 0.00 C ATOM 364 O4' A A 12 4.940 -2.487 4.457 1.00 0.00 O ATOM 365 C3' A A 12 5.428 -4.770 4.639 1.00 0.00 C ATOM 366 O3' A A 12 6.082 -5.640 5.565 1.00 0.00 O ATOM 367 C2' A A 12 3.993 -4.576 5.090 1.00 0.00 C ATOM 368 O2' A A 12 3.876 -4.659 6.515 1.00 0.00 O ATOM 369 C1' A A 12 3.679 -3.170 4.586 1.00 0.00 C ATOM 370 N9 A A 12 2.970 -3.220 3.293 1.00 0.00 N ATOM 371 C8 A A 12 3.466 -3.183 2.033 1.00 0.00 C ATOM 372 N7 A A 12 2.623 -3.226 1.057 1.00 0.00 N ATOM 373 C5 A A 12 1.406 -3.302 1.740 1.00 0.00 C ATOM 374 C6 A A 12 0.079 -3.377 1.304 1.00 0.00 C ATOM 375 N6 A A 12 -0.265 -3.384 0.016 1.00 0.00 N ATOM 376 N1 A A 12 -0.879 -3.441 2.244 1.00 0.00 N ATOM 377 C2 A A 12 -0.557 -3.433 3.539 1.00 0.00 C ATOM 378 N3 A A 12 0.664 -3.365 4.062 1.00 0.00 N ATOM 379 C4 A A 12 1.607 -3.301 3.101 1.00 0.00 C ATOM 0 H5' A A 12 7.648 -2.192 4.051 1.00 0.00 H new ATOM 0 H5'' A A 12 7.985 -3.910 4.120 1.00 0.00 H new ATOM 0 H4' A A 12 6.381 -3.198 5.798 1.00 0.00 H new ATOM 0 H3' A A 12 5.529 -5.189 3.638 1.00 0.00 H new ATOM 0 H2' A A 12 3.311 -5.337 4.710 1.00 0.00 H new ATOM 0 HO2' A A 12 4.725 -4.967 6.896 1.00 0.00 H new ATOM 0 H1' A A 12 3.023 -2.645 5.280 1.00 0.00 H new ATOM 0 H8 A A 12 4.529 -3.120 1.852 1.00 0.00 H new ATOM 0 H61 A A 12 -1.248 -3.440 -0.249 1.00 0.00 H new ATOM 0 H62 A A 12 0.455 -3.333 -0.704 1.00 0.00 H new ATOM 0 H2 A A 12 -1.378 -3.488 4.239 1.00 0.00 H new ATOM 391 P C A 13 5.979 -7.239 5.394 1.00 0.00 P ATOM 392 OP1 C A 13 6.500 -7.870 6.626 1.00 0.00 O ATOM 393 OP2 C A 13 6.552 -7.602 4.079 1.00 0.00 O ATOM 394 O5' C A 13 4.388 -7.484 5.336 1.00 0.00 O ATOM 395 C5' C A 13 3.641 -7.647 6.543 1.00 0.00 C ATOM 396 C4' C A 13 2.170 -7.945 6.263 1.00 0.00 C ATOM 397 O4' C A 13 1.579 -6.941 5.440 1.00 0.00 O ATOM 398 C3' C A 13 2.005 -9.236 5.485 1.00 0.00 C ATOM 399 O3' C A 13 1.885 -10.313 6.418 1.00 0.00 O ATOM 400 C2' C A 13 0.663 -9.050 4.793 1.00 0.00 C ATOM 401 O2' C A 13 -0.412 -9.548 5.600 1.00 0.00 O ATOM 402 C1' C A 13 0.566 -7.532 4.611 1.00 0.00 C ATOM 403 N1 C A 13 0.752 -7.164 3.195 1.00 0.00 N ATOM 404 C2 C A 13 -0.385 -7.081 2.406 1.00 0.00 C ATOM 405 O2 C A 13 -1.492 -7.294 2.895 1.00 0.00 O ATOM 406 N3 C A 13 -0.235 -6.760 1.092 1.00 0.00 N ATOM 407 C4 C A 13 0.976 -6.529 0.574 1.00 0.00 C ATOM 408 N4 C A 13 1.084 -6.219 -0.719 1.00 0.00 N ATOM 409 C5 C A 13 2.152 -6.613 1.384 1.00 0.00 C ATOM 410 C6 C A 13 1.994 -6.932 2.683 1.00 0.00 C ATOM 0 H5' C A 13 3.720 -6.742 7.145 1.00 0.00 H new ATOM 0 H5'' C A 13 4.071 -8.459 7.130 1.00 0.00 H new ATOM 0 H4' C A 13 1.694 -7.996 7.242 1.00 0.00 H new ATOM 0 H3' C A 13 2.828 -9.448 4.803 1.00 0.00 H new ATOM 0 H2' C A 13 0.591 -9.596 3.852 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.046 -10.018 6.378 1.00 0.00 H new ATOM 0 H1' C A 13 -0.420 -7.169 4.902 1.00 0.00 H new ATOM 0 H41 C A 13 2.002 -6.041 -1.126 1.00 0.00 H new ATOM 0 H42 C A 13 0.248 -6.160 -1.301 1.00 0.00 H new ATOM 0 H5 C A 13 3.132 -6.427 0.969 1.00 0.00 H new ATOM 0 H6 C A 13 2.859 -7.005 3.325 1.00 0.00 H new ATOM 422 P C A 14 2.304 -11.812 6.000 1.00 0.00 P ATOM 423 OP1 C A 14 2.215 -12.670 7.202 1.00 0.00 O ATOM 424 OP2 C A 14 3.569 -11.742 5.236 1.00 0.00 O ATOM 425 O5' C A 14 1.127 -12.239 4.987 1.00 0.00 O ATOM 426 C5' C A 14 -0.093 -12.793 5.488 1.00 0.00 C ATOM 427 C4' C A 14 -1.128 -12.972 4.381 1.00 0.00 C ATOM 428 O4' C A 14 -1.277 -11.787 3.609 1.00 0.00 O ATOM 429 C3' C A 14 -0.699 -14.040 3.393 1.00 0.00 C ATOM 430 O3' C A 14 -1.051 -15.352 3.849 1.00 0.00 O ATOM 431 C2' C A 14 -1.478 -13.656 2.144 1.00 0.00 C ATOM 432 O2' C A 14 -2.760 -14.294 2.112 1.00 0.00 O ATOM 433 C1' C A 14 -1.615 -12.136 2.259 1.00 0.00 C ATOM 434 N1 C A 14 -0.729 -11.453 1.297 1.00 0.00 N ATOM 435 C2 C A 14 -1.267 -11.114 0.066 1.00 0.00 C ATOM 436 O2 C A 14 -2.441 -11.377 -0.186 1.00 0.00 O ATOM 437 N3 C A 14 -0.465 -10.489 -0.838 1.00 0.00 N ATOM 438 C4 C A 14 0.812 -10.207 -0.547 1.00 0.00 C ATOM 439 N4 C A 14 1.570 -9.595 -1.456 1.00 0.00 N ATOM 440 C5 C A 14 1.371 -10.556 0.723 1.00 0.00 C ATOM 441 C6 C A 14 0.569 -11.174 1.611 1.00 0.00 C ATOM 0 H5' C A 14 -0.498 -12.141 6.263 1.00 0.00 H new ATOM 0 H5'' C A 14 0.110 -13.756 5.956 1.00 0.00 H new ATOM 0 H4' C A 14 -2.055 -13.239 4.889 1.00 0.00 H new ATOM 0 H3' C A 14 0.379 -14.082 3.239 1.00 0.00 H new ATOM 0 H2' C A 14 -0.981 -13.967 1.225 1.00 0.00 H new ATOM 0 HO2' C A 14 -2.802 -14.978 2.812 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.762 -16.016 3.189 1.00 0.00 H new ATOM 0 H1' C A 14 -2.632 -11.821 2.024 1.00 0.00 H new ATOM 0 H41 C A 14 2.543 -9.376 -1.244 1.00 0.00 H new ATOM 0 H42 C A 14 1.177 -9.346 -2.364 1.00 0.00 H new ATOM 0 H5 C A 14 2.400 -10.332 0.961 1.00 0.00 H new ATOM 0 H6 C A 14 0.957 -11.451 2.580 1.00 0.00 H new TER 454 C A 14