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 -22:sc= 0.338 USER MOD Single : A 1 G O5' : rot -1:sc= 0.626! USER MOD Single : A 2 G O2' : rot -27:sc= 0.295 USER MOD Single : A 3 U O2' : rot -14:sc= 0.287 USER MOD Single : A 4 U O2' : rot -11:sc= 0.334 USER MOD Single : A 5 C O2' : rot -18:sc= 0.377 USER MOD Single : A 6 A O2' : rot 1:sc= -0.43 USER MOD Single : A 7 G O2' : rot -28:sc= 0.771 USER MOD Single : A 8 A O2' : rot -149:sc= -8.49! USER MOD Single : A 9 A O2' : rot -1:sc= 0.59 USER MOD Single : A 10 G O2' : rot -118:sc= 0.299 USER MOD Single : A 11 A O2' : rot -29:sc= 0.332 USER MOD Single : A 12 A O2' : rot -16:sc= 0.316 USER MOD Single : A 13 C O2' : rot -13:sc= 0.391 USER MOD Single : A 14 C O2' : rot -12:sc= 0.194 USER MOD Single : A 14 C O3' : rot 180:sc= 0.202 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 1 -4.571 -5.820 -9.049 1.00 0.00 O ATOM 2 C5' G A 1 -5.828 -6.125 -9.659 1.00 0.00 C ATOM 3 C4' G A 1 -6.517 -7.298 -8.968 1.00 0.00 C ATOM 4 O4' G A 1 -5.678 -8.461 -8.963 1.00 0.00 O ATOM 5 C3' G A 1 -6.804 -6.979 -7.508 1.00 0.00 C ATOM 6 O3' G A 1 -8.158 -6.533 -7.399 1.00 0.00 O ATOM 7 C2' G A 1 -6.688 -8.329 -6.825 1.00 0.00 C ATOM 8 O2' G A 1 -7.918 -9.060 -6.892 1.00 0.00 O ATOM 9 C1' G A 1 -5.591 -9.005 -7.637 1.00 0.00 C ATOM 10 N9 G A 1 -4.266 -8.747 -7.043 1.00 0.00 N ATOM 11 C8 G A 1 -3.237 -8.000 -7.514 1.00 0.00 C ATOM 12 N7 G A 1 -2.175 -7.916 -6.784 1.00 0.00 N ATOM 13 C5 G A 1 -2.524 -8.701 -5.682 1.00 0.00 C ATOM 14 C6 G A 1 -1.779 -9.012 -4.513 1.00 0.00 C ATOM 15 O6 G A 1 -0.643 -8.650 -4.211 1.00 0.00 O ATOM 16 N1 G A 1 -2.499 -9.833 -3.654 1.00 0.00 N ATOM 17 C2 G A 1 -3.777 -10.301 -3.885 1.00 0.00 C ATOM 18 N2 G A 1 -4.301 -11.080 -2.940 1.00 0.00 N ATOM 19 N3 G A 1 -4.485 -10.013 -4.981 1.00 0.00 N ATOM 20 C4 G A 1 -3.804 -9.215 -5.834 1.00 0.00 C ATOM 0 H5' G A 1 -5.674 -6.361 -10.712 1.00 0.00 H new ATOM 0 H5'' G A 1 -6.474 -5.248 -9.620 1.00 0.00 H new ATOM 0 H4' G A 1 -7.438 -7.480 -9.522 1.00 0.00 H new ATOM 0 H3' G A 1 -6.145 -6.218 -7.090 1.00 0.00 H new ATOM 0 H2' G A 1 -6.466 -8.262 -5.760 1.00 0.00 H new ATOM 0 HO2' G A 1 -8.660 -8.438 -7.045 1.00 0.00 H new ATOM 0 HO5' G A 1 -4.419 -6.425 -8.293 1.00 0.00 H new ATOM 0 H1' G A 1 -5.719 -10.087 -7.650 1.00 0.00 H new ATOM 0 H8 G A 1 -3.303 -7.493 -8.466 1.00 0.00 H new ATOM 0 H1 G A 1 -2.047 -10.112 -2.783 1.00 0.00 H new ATOM 0 H21 G A 1 -5.242 -11.457 -3.053 1.00 0.00 H new ATOM 0 H22 G A 1 -3.761 -11.300 -2.103 1.00 0.00 H new ATOM 33 P G A 2 -8.518 -5.222 -6.537 1.00 0.00 P ATOM 34 OP1 G A 2 -9.860 -4.751 -6.948 1.00 0.00 O ATOM 35 OP2 G A 2 -7.362 -4.299 -6.594 1.00 0.00 O ATOM 36 O5' G A 2 -8.624 -5.805 -5.039 1.00 0.00 O ATOM 37 C5' G A 2 -9.852 -6.365 -4.567 1.00 0.00 C ATOM 38 C4' G A 2 -9.716 -6.912 -3.148 1.00 0.00 C ATOM 39 O4' G A 2 -8.667 -7.882 -3.057 1.00 0.00 O ATOM 40 C3' G A 2 -9.328 -5.819 -2.169 1.00 0.00 C ATOM 41 O3' G A 2 -10.517 -5.211 -1.660 1.00 0.00 O ATOM 42 C2' G A 2 -8.671 -6.604 -1.051 1.00 0.00 C ATOM 43 O2' G A 2 -9.640 -7.132 -0.138 1.00 0.00 O ATOM 44 C1' G A 2 -7.957 -7.715 -1.816 1.00 0.00 C ATOM 45 N9 G A 2 -6.547 -7.356 -2.050 1.00 0.00 N ATOM 46 C8 G A 2 -5.942 -6.904 -3.177 1.00 0.00 C ATOM 47 N7 G A 2 -4.682 -6.631 -3.111 1.00 0.00 N ATOM 48 C5 G A 2 -4.393 -6.935 -1.776 1.00 0.00 C ATOM 49 C6 G A 2 -3.165 -6.849 -1.066 1.00 0.00 C ATOM 50 O6 G A 2 -2.067 -6.478 -1.479 1.00 0.00 O ATOM 51 N1 G A 2 -3.313 -7.251 0.257 1.00 0.00 N ATOM 52 C2 G A 2 -4.493 -7.683 0.831 1.00 0.00 C ATOM 53 N2 G A 2 -4.431 -8.028 2.117 1.00 0.00 N ATOM 54 N3 G A 2 -5.650 -7.768 0.169 1.00 0.00 N ATOM 55 C4 G A 2 -5.532 -7.381 -1.121 1.00 0.00 C ATOM 0 H5' G A 2 -10.168 -7.165 -5.236 1.00 0.00 H new ATOM 0 H5'' G A 2 -10.632 -5.604 -4.590 1.00 0.00 H new ATOM 0 H4' G A 2 -10.687 -7.345 -2.910 1.00 0.00 H new ATOM 0 H3' G A 2 -8.700 -5.039 -2.600 1.00 0.00 H new ATOM 0 H2' G A 2 -8.006 -6.005 -0.429 1.00 0.00 H new ATOM 0 HO2' G A 2 -10.442 -6.568 -0.150 1.00 0.00 H new ATOM 0 H1' G A 2 -7.952 -8.647 -1.250 1.00 0.00 H new ATOM 0 H8 G A 2 -6.495 -6.777 -4.096 1.00 0.00 H new ATOM 0 H1 G A 2 -2.484 -7.225 0.851 1.00 0.00 H new ATOM 0 H21 G A 2 -5.269 -8.355 2.598 1.00 0.00 H new ATOM 0 H22 G A 2 -3.546 -7.965 2.620 1.00 0.00 H new ATOM 67 P U A 3 -10.559 -3.626 -1.384 1.00 0.00 P ATOM 68 OP1 U A 3 -11.958 -3.245 -1.089 1.00 0.00 O ATOM 69 OP2 U A 3 -9.822 -2.947 -2.472 1.00 0.00 O ATOM 70 O5' U A 3 -9.701 -3.479 -0.028 1.00 0.00 O ATOM 71 C5' U A 3 -10.344 -3.555 1.247 1.00 0.00 C ATOM 72 C4' U A 3 -9.335 -3.558 2.394 1.00 0.00 C ATOM 73 O4' U A 3 -8.284 -4.500 2.176 1.00 0.00 O ATOM 74 C3' U A 3 -8.631 -2.221 2.519 1.00 0.00 C ATOM 75 O3' U A 3 -9.417 -1.357 3.343 1.00 0.00 O ATOM 76 C2' U A 3 -7.370 -2.594 3.274 1.00 0.00 C ATOM 77 O2' U A 3 -7.598 -2.636 4.688 1.00 0.00 O ATOM 78 C1' U A 3 -7.053 -3.981 2.717 1.00 0.00 C ATOM 79 N1 U A 3 -6.007 -3.894 1.683 1.00 0.00 N ATOM 80 C2 U A 3 -4.698 -3.816 2.114 1.00 0.00 C ATOM 81 O2 U A 3 -4.400 -3.834 3.306 1.00 0.00 O ATOM 82 N3 U A 3 -3.737 -3.718 1.125 1.00 0.00 N ATOM 83 C4 U A 3 -3.969 -3.689 -0.239 1.00 0.00 C ATOM 84 O4 U A 3 -3.033 -3.597 -1.031 1.00 0.00 O ATOM 85 C5 U A 3 -5.367 -3.776 -0.600 1.00 0.00 C ATOM 86 C6 U A 3 -6.327 -3.874 0.352 1.00 0.00 C ATOM 0 H5' U A 3 -10.950 -4.459 1.295 1.00 0.00 H new ATOM 0 H5'' U A 3 -11.023 -2.710 1.362 1.00 0.00 H new ATOM 0 H4' U A 3 -9.919 -3.800 3.282 1.00 0.00 H new ATOM 0 H3' U A 3 -8.456 -1.719 1.567 1.00 0.00 H new ATOM 0 H2' U A 3 -6.558 -1.878 3.145 1.00 0.00 H new ATOM 0 HO2' U A 3 -8.450 -2.199 4.895 1.00 0.00 H new ATOM 0 H1' U A 3 -6.670 -4.642 3.494 1.00 0.00 H new ATOM 0 H3 U A 3 -2.765 -3.662 1.429 1.00 0.00 H new ATOM 0 H5 U A 3 -5.650 -3.763 -1.642 1.00 0.00 H new ATOM 0 H6 U A 3 -7.363 -3.937 0.055 1.00 0.00 H new ATOM 97 P U A 4 -9.439 0.228 3.059 1.00 0.00 P ATOM 98 OP1 U A 4 -10.553 0.821 3.834 1.00 0.00 O ATOM 99 OP2 U A 4 -9.366 0.436 1.596 1.00 0.00 O ATOM 100 O5' U A 4 -8.051 0.724 3.709 1.00 0.00 O ATOM 101 C5' U A 4 -8.001 1.134 5.078 1.00 0.00 C ATOM 102 C4' U A 4 -6.567 1.325 5.565 1.00 0.00 C ATOM 103 O4' U A 4 -5.706 0.285 5.102 1.00 0.00 O ATOM 104 C3' U A 4 -5.958 2.598 5.013 1.00 0.00 C ATOM 105 O3' U A 4 -6.283 3.681 5.887 1.00 0.00 O ATOM 106 C2' U A 4 -4.468 2.326 5.118 1.00 0.00 C ATOM 107 O2' U A 4 -3.955 2.709 6.399 1.00 0.00 O ATOM 108 C1' U A 4 -4.381 0.813 4.913 1.00 0.00 C ATOM 109 N1 U A 4 -3.869 0.509 3.564 1.00 0.00 N ATOM 110 C2 U A 4 -2.504 0.589 3.372 1.00 0.00 C ATOM 111 O2 U A 4 -1.733 0.883 4.282 1.00 0.00 O ATOM 112 N3 U A 4 -2.053 0.322 2.093 1.00 0.00 N ATOM 113 C4 U A 4 -2.840 -0.016 1.004 1.00 0.00 C ATOM 114 O4 U A 4 -2.330 -0.234 -0.093 1.00 0.00 O ATOM 115 C5 U A 4 -4.254 -0.078 1.297 1.00 0.00 C ATOM 116 C6 U A 4 -4.719 0.181 2.544 1.00 0.00 C ATOM 0 H5' U A 4 -8.498 0.388 5.698 1.00 0.00 H new ATOM 0 H5'' U A 4 -8.552 2.067 5.198 1.00 0.00 H new ATOM 0 H4' U A 4 -6.638 1.340 6.653 1.00 0.00 H new ATOM 0 H3' U A 4 -6.297 2.849 4.008 1.00 0.00 H new ATOM 0 H2' U A 4 -3.878 2.892 4.397 1.00 0.00 H new ATOM 0 HO2' U A 4 -4.630 3.233 6.878 1.00 0.00 H new ATOM 0 H1' U A 4 -3.691 0.358 5.624 1.00 0.00 H new ATOM 0 H3 U A 4 -1.047 0.379 1.936 1.00 0.00 H new ATOM 0 H5 U A 4 -4.950 -0.334 0.512 1.00 0.00 H new ATOM 0 H6 U A 4 -5.781 0.127 2.735 1.00 0.00 H new ATOM 127 P C A 5 -6.244 5.195 5.343 1.00 0.00 P ATOM 128 OP1 C A 5 -6.820 6.076 6.385 1.00 0.00 O ATOM 129 OP2 C A 5 -6.805 5.212 3.973 1.00 0.00 O ATOM 130 O5' C A 5 -4.666 5.499 5.245 1.00 0.00 O ATOM 131 C5' C A 5 -3.968 6.057 6.362 1.00 0.00 C ATOM 132 C4' C A 5 -2.487 6.272 6.057 1.00 0.00 C ATOM 133 O4' C A 5 -1.901 5.125 5.445 1.00 0.00 O ATOM 134 C3' C A 5 -2.285 7.390 5.054 1.00 0.00 C ATOM 135 O3' C A 5 -2.192 8.629 5.760 1.00 0.00 O ATOM 136 C2' C A 5 -0.921 7.069 4.464 1.00 0.00 C ATOM 137 O2' C A 5 0.134 7.665 5.227 1.00 0.00 O ATOM 138 C1' C A 5 -0.866 5.541 4.534 1.00 0.00 C ATOM 139 N1 C A 5 -1.066 4.955 3.194 1.00 0.00 N ATOM 140 C2 C A 5 0.049 4.834 2.382 1.00 0.00 C ATOM 141 O2 C A 5 1.151 5.196 2.790 1.00 0.00 O ATOM 142 N3 C A 5 -0.113 4.310 1.136 1.00 0.00 N ATOM 143 C4 C A 5 -1.321 3.922 0.704 1.00 0.00 C ATOM 144 N4 C A 5 -1.446 3.414 -0.523 1.00 0.00 N ATOM 145 C5 C A 5 -2.475 4.044 1.542 1.00 0.00 C ATOM 146 C6 C A 5 -2.302 4.564 2.773 1.00 0.00 C ATOM 0 H5' C A 5 -4.069 5.394 7.222 1.00 0.00 H new ATOM 0 H5'' C A 5 -4.424 7.008 6.637 1.00 0.00 H new ATOM 0 H4' C A 5 -2.027 6.496 7.020 1.00 0.00 H new ATOM 0 H3' C A 5 -3.083 7.469 4.315 1.00 0.00 H new ATOM 0 H2' C A 5 -0.791 7.457 3.454 1.00 0.00 H new ATOM 0 HO2' C A 5 -0.232 8.380 5.789 1.00 0.00 H new ATOM 0 H1' C A 5 0.108 5.199 4.885 1.00 0.00 H new ATOM 0 H41 C A 5 -2.361 3.116 -0.861 1.00 0.00 H new ATOM 0 H42 C A 5 -0.626 3.324 -1.123 1.00 0.00 H new ATOM 0 H5 C A 5 -3.450 3.730 1.200 1.00 0.00 H new ATOM 0 H6 C A 5 -3.151 4.672 3.432 1.00 0.00 H new ATOM 158 P A A 6 -2.668 10.000 5.061 1.00 0.00 P ATOM 159 OP1 A A 6 -1.938 11.122 5.692 1.00 0.00 O ATOM 160 OP2 A A 6 -4.148 10.010 5.023 1.00 0.00 O ATOM 161 O5' A A 6 -2.128 9.834 3.554 1.00 0.00 O ATOM 162 C5' A A 6 -1.379 10.881 2.933 1.00 0.00 C ATOM 163 C4' A A 6 -0.403 10.335 1.892 1.00 0.00 C ATOM 164 O4' A A 6 -0.437 8.909 1.854 1.00 0.00 O ATOM 165 C3' A A 6 -0.773 10.792 0.490 1.00 0.00 C ATOM 166 O3' A A 6 -0.034 11.982 0.200 1.00 0.00 O ATOM 167 C2' A A 6 -0.249 9.676 -0.399 1.00 0.00 C ATOM 168 O2' A A 6 1.090 9.936 -0.832 1.00 0.00 O ATOM 169 C1' A A 6 -0.316 8.442 0.501 1.00 0.00 C ATOM 170 N9 A A 6 -1.461 7.585 0.137 1.00 0.00 N ATOM 171 C8 A A 6 -2.620 7.359 0.805 1.00 0.00 C ATOM 172 N7 A A 6 -3.471 6.550 0.268 1.00 0.00 N ATOM 173 C5 A A 6 -2.807 6.181 -0.906 1.00 0.00 C ATOM 174 C6 A A 6 -3.150 5.329 -1.962 1.00 0.00 C ATOM 175 N6 A A 6 -4.301 4.657 -2.011 1.00 0.00 N ATOM 176 N1 A A 6 -2.264 5.194 -2.963 1.00 0.00 N ATOM 177 C2 A A 6 -1.106 5.857 -2.933 1.00 0.00 C ATOM 178 N3 A A 6 -0.680 6.689 -1.987 1.00 0.00 N ATOM 179 C4 A A 6 -1.584 6.807 -0.994 1.00 0.00 C ATOM 0 H5' A A 6 -0.828 11.435 3.693 1.00 0.00 H new ATOM 0 H5'' A A 6 -2.062 11.585 2.458 1.00 0.00 H new ATOM 0 H4' A A 6 0.580 10.705 2.182 1.00 0.00 H new ATOM 0 H3' A A 6 -1.837 10.988 0.360 1.00 0.00 H new ATOM 0 H2' A A 6 -0.826 9.561 -1.317 1.00 0.00 H new ATOM 0 HO2' A A 6 1.398 10.785 -0.452 1.00 0.00 H new ATOM 0 H1' A A 6 0.582 7.835 0.384 1.00 0.00 H new ATOM 0 H8 A A 6 -2.823 7.838 1.751 1.00 0.00 H new ATOM 0 H61 A A 6 -4.503 4.048 -2.804 1.00 0.00 H new ATOM 0 H62 A A 6 -4.979 4.752 -1.255 1.00 0.00 H new ATOM 0 H2 A A 6 -0.441 5.700 -3.770 1.00 0.00 H new ATOM 191 P G A 7 -0.760 13.255 -0.469 1.00 0.00 P ATOM 192 OP1 G A 7 0.235 14.345 -0.590 1.00 0.00 O ATOM 193 OP2 G A 7 -2.031 13.495 0.250 1.00 0.00 O ATOM 194 O5' G A 7 -1.108 12.723 -1.947 1.00 0.00 O ATOM 195 C5' G A 7 -0.071 12.239 -2.803 1.00 0.00 C ATOM 196 C4' G A 7 -0.618 11.323 -3.892 1.00 0.00 C ATOM 197 O4' G A 7 -1.310 10.205 -3.329 1.00 0.00 O ATOM 198 C3' G A 7 -1.626 12.062 -4.775 1.00 0.00 C ATOM 199 O3' G A 7 -1.330 11.736 -6.134 1.00 0.00 O ATOM 200 C2' G A 7 -2.971 11.438 -4.424 1.00 0.00 C ATOM 201 O2' G A 7 -3.843 11.397 -5.560 1.00 0.00 O ATOM 202 C1' G A 7 -2.566 10.043 -3.983 1.00 0.00 C ATOM 203 N9 G A 7 -3.566 9.443 -3.078 1.00 0.00 N ATOM 204 C8 G A 7 -4.137 8.216 -3.129 1.00 0.00 C ATOM 205 N7 G A 7 -4.991 7.913 -2.209 1.00 0.00 N ATOM 206 C5 G A 7 -5.001 9.078 -1.435 1.00 0.00 C ATOM 207 C6 G A 7 -5.744 9.386 -0.263 1.00 0.00 C ATOM 208 O6 G A 7 -6.553 8.679 0.335 1.00 0.00 O ATOM 209 N1 G A 7 -5.460 10.666 0.200 1.00 0.00 N ATOM 210 C2 G A 7 -4.573 11.545 -0.388 1.00 0.00 C ATOM 211 N2 G A 7 -4.435 12.731 0.204 1.00 0.00 N ATOM 212 N3 G A 7 -3.870 11.263 -1.490 1.00 0.00 N ATOM 213 C4 G A 7 -4.130 10.021 -1.960 1.00 0.00 C ATOM 0 H5' G A 7 0.667 11.699 -2.210 1.00 0.00 H new ATOM 0 H5'' G A 7 0.445 13.082 -3.262 1.00 0.00 H new ATOM 0 H4' G A 7 0.242 10.992 -4.474 1.00 0.00 H new ATOM 0 H3' G A 7 -1.610 13.143 -4.636 1.00 0.00 H new ATOM 0 H2' G A 7 -3.528 11.992 -3.669 1.00 0.00 H new ATOM 0 HO2' G A 7 -3.614 12.125 -6.175 1.00 0.00 H new ATOM 0 H1' G A 7 -2.498 9.363 -4.832 1.00 0.00 H new ATOM 0 H8 G A 7 -3.887 7.515 -3.912 1.00 0.00 H new ATOM 0 H1 G A 7 -5.945 10.980 1.040 1.00 0.00 H new ATOM 0 H21 G A 7 -3.794 13.423 -0.184 1.00 0.00 H new ATOM 0 H22 G A 7 -4.970 12.947 1.045 1.00 0.00 H new ATOM 225 P A A 8 -1.498 12.828 -7.301 1.00 0.00 P ATOM 226 OP1 A A 8 -0.509 13.906 -7.077 1.00 0.00 O ATOM 227 OP2 A A 8 -2.936 13.157 -7.424 1.00 0.00 O ATOM 228 O5' A A 8 -1.056 11.998 -8.607 1.00 0.00 O ATOM 229 C5' A A 8 -1.383 10.609 -8.721 1.00 0.00 C ATOM 230 C4' A A 8 -0.227 9.798 -9.296 1.00 0.00 C ATOM 231 O4' A A 8 1.033 10.472 -9.115 1.00 0.00 O ATOM 232 C3' A A 8 -0.084 8.453 -8.577 1.00 0.00 C ATOM 233 O3' A A 8 0.343 7.481 -9.533 1.00 0.00 O ATOM 234 C2' A A 8 1.065 8.694 -7.623 1.00 0.00 C ATOM 235 O2' A A 8 1.718 7.477 -7.248 1.00 0.00 O ATOM 236 C1' A A 8 1.945 9.567 -8.486 1.00 0.00 C ATOM 237 N9 A A 8 2.964 10.265 -7.686 1.00 0.00 N ATOM 238 C8 A A 8 2.848 10.904 -6.498 1.00 0.00 C ATOM 239 N7 A A 8 3.920 11.420 -5.992 1.00 0.00 N ATOM 240 C5 A A 8 4.875 11.088 -6.959 1.00 0.00 C ATOM 241 C6 A A 8 6.250 11.331 -7.059 1.00 0.00 C ATOM 242 N6 A A 8 6.943 11.999 -6.136 1.00 0.00 N ATOM 243 N1 A A 8 6.885 10.861 -8.148 1.00 0.00 N ATOM 244 C2 A A 8 6.213 10.189 -9.085 1.00 0.00 C ATOM 245 N3 A A 8 4.914 9.905 -9.091 1.00 0.00 N ATOM 246 C4 A A 8 4.301 10.385 -7.991 1.00 0.00 C ATOM 0 H5' A A 8 -2.260 10.494 -9.358 1.00 0.00 H new ATOM 0 H5'' A A 8 -1.649 10.217 -7.739 1.00 0.00 H new ATOM 0 H4' A A 8 -0.455 9.666 -10.354 1.00 0.00 H new ATOM 0 H3' A A 8 -1.001 8.114 -8.095 1.00 0.00 H new ATOM 0 H2' A A 8 0.781 9.133 -6.667 1.00 0.00 H new ATOM 0 HO2' A A 8 2.079 7.566 -6.341 1.00 0.00 H new ATOM 0 H1' A A 8 2.516 8.995 -9.217 1.00 0.00 H new ATOM 0 H8 A A 8 1.897 10.980 -5.993 1.00 0.00 H new ATOM 0 H61 A A 8 7.945 12.148 -6.259 1.00 0.00 H new ATOM 0 H62 A A 8 6.471 12.361 -5.307 1.00 0.00 H new ATOM 0 H2 A A 8 6.786 9.838 -9.930 1.00 0.00 H new ATOM 258 P A A 9 -0.088 5.939 -9.386 1.00 0.00 P ATOM 259 OP1 A A 9 -0.066 5.322 -10.732 1.00 0.00 O ATOM 260 OP2 A A 9 -1.315 5.875 -8.562 1.00 0.00 O ATOM 261 O5' A A 9 1.130 5.327 -8.526 1.00 0.00 O ATOM 262 C5' A A 9 2.189 4.603 -9.162 1.00 0.00 C ATOM 263 C4' A A 9 3.522 5.362 -9.093 1.00 0.00 C ATOM 264 O4' A A 9 3.349 6.605 -8.408 1.00 0.00 O ATOM 265 C3' A A 9 4.597 4.575 -8.332 1.00 0.00 C ATOM 266 O3' A A 9 5.627 4.222 -9.257 1.00 0.00 O ATOM 267 C2' A A 9 5.207 5.570 -7.353 1.00 0.00 C ATOM 268 O2' A A 9 6.447 6.090 -7.846 1.00 0.00 O ATOM 269 C1' A A 9 4.161 6.666 -7.233 1.00 0.00 C ATOM 270 N9 A A 9 3.361 6.493 -6.004 1.00 0.00 N ATOM 271 C8 A A 9 2.342 5.640 -5.739 1.00 0.00 C ATOM 272 N7 A A 9 1.834 5.664 -4.552 1.00 0.00 N ATOM 273 C5 A A 9 2.605 6.657 -3.939 1.00 0.00 C ATOM 274 C6 A A 9 2.600 7.200 -2.650 1.00 0.00 C ATOM 275 N6 A A 9 1.760 6.802 -1.696 1.00 0.00 N ATOM 276 N1 A A 9 3.496 8.165 -2.380 1.00 0.00 N ATOM 277 C2 A A 9 4.349 8.576 -3.321 1.00 0.00 C ATOM 278 N3 A A 9 4.440 8.132 -4.570 1.00 0.00 N ATOM 279 C4 A A 9 3.533 7.166 -4.816 1.00 0.00 C ATOM 0 H5' A A 9 1.929 4.420 -10.205 1.00 0.00 H new ATOM 0 H5'' A A 9 2.300 3.629 -8.685 1.00 0.00 H new ATOM 0 H4' A A 9 3.842 5.515 -10.124 1.00 0.00 H new ATOM 0 H3' A A 9 4.190 3.687 -7.848 1.00 0.00 H new ATOM 0 H2' A A 9 5.443 5.114 -6.392 1.00 0.00 H new ATOM 0 HO2' A A 9 6.651 5.682 -8.713 1.00 0.00 H new ATOM 0 H1' A A 9 4.630 7.647 -7.157 1.00 0.00 H new ATOM 0 H8 A A 9 1.968 4.964 -6.494 1.00 0.00 H new ATOM 0 H61 A A 9 1.798 7.231 -0.771 1.00 0.00 H new ATOM 0 H62 A A 9 1.079 6.068 -1.890 1.00 0.00 H new ATOM 0 H2 A A 9 5.041 9.355 -3.036 1.00 0.00 H new ATOM 291 P G A 10 6.612 2.987 -8.943 1.00 0.00 P ATOM 292 OP1 G A 10 7.924 3.270 -9.567 1.00 0.00 O ATOM 293 OP2 G A 10 5.897 1.732 -9.268 1.00 0.00 O ATOM 294 O5' G A 10 6.784 3.071 -7.342 1.00 0.00 O ATOM 295 C5' G A 10 8.085 3.217 -6.763 1.00 0.00 C ATOM 296 C4' G A 10 8.016 3.524 -5.268 1.00 0.00 C ATOM 297 O4' G A 10 6.958 4.436 -4.958 1.00 0.00 O ATOM 298 C3' G A 10 7.702 2.282 -4.456 1.00 0.00 C ATOM 299 O3' G A 10 8.925 1.611 -4.141 1.00 0.00 O ATOM 300 C2' G A 10 7.136 2.868 -3.178 1.00 0.00 C ATOM 301 O2' G A 10 8.175 3.249 -2.269 1.00 0.00 O ATOM 302 C1' G A 10 6.368 4.081 -3.692 1.00 0.00 C ATOM 303 N9 G A 10 4.937 3.759 -3.837 1.00 0.00 N ATOM 304 C8 G A 10 4.268 3.257 -4.903 1.00 0.00 C ATOM 305 N7 G A 10 3.002 3.043 -4.768 1.00 0.00 N ATOM 306 C5 G A 10 2.784 3.449 -3.447 1.00 0.00 C ATOM 307 C6 G A 10 1.586 3.462 -2.685 1.00 0.00 C ATOM 308 O6 G A 10 0.458 3.111 -3.028 1.00 0.00 O ATOM 309 N1 G A 10 1.804 3.945 -1.401 1.00 0.00 N ATOM 310 C2 G A 10 3.021 4.364 -0.905 1.00 0.00 C ATOM 311 N2 G A 10 3.027 4.797 0.356 1.00 0.00 N ATOM 312 N3 G A 10 4.154 4.356 -1.615 1.00 0.00 N ATOM 313 C4 G A 10 3.966 3.889 -2.871 1.00 0.00 C ATOM 0 H5' G A 10 8.621 4.018 -7.273 1.00 0.00 H new ATOM 0 H5'' G A 10 8.656 2.302 -6.919 1.00 0.00 H new ATOM 0 H4' G A 10 8.994 3.939 -5.022 1.00 0.00 H new ATOM 0 H3' G A 10 7.042 1.577 -4.962 1.00 0.00 H new ATOM 0 H2' G A 10 6.519 2.169 -2.613 1.00 0.00 H new ATOM 0 HO2' G A 10 8.095 2.727 -1.444 1.00 0.00 H new ATOM 0 H1' G A 10 6.431 4.917 -2.995 1.00 0.00 H new ATOM 0 H8 G A 10 4.776 3.044 -5.832 1.00 0.00 H new ATOM 0 H1 G A 10 1.000 3.994 -0.775 1.00 0.00 H new ATOM 0 H21 G A 10 3.897 5.120 0.780 1.00 0.00 H new ATOM 0 H22 G A 10 2.162 4.805 0.897 1.00 0.00 H new ATOM 325 P A A 11 8.928 0.027 -3.842 1.00 0.00 P ATOM 326 OP1 A A 11 10.332 -0.416 -3.707 1.00 0.00 O ATOM 327 OP2 A A 11 8.039 -0.630 -4.827 1.00 0.00 O ATOM 328 O5' A A 11 8.229 -0.064 -2.392 1.00 0.00 O ATOM 329 C5' A A 11 9.006 0.116 -1.206 1.00 0.00 C ATOM 330 C4' A A 11 8.134 0.424 0.009 1.00 0.00 C ATOM 331 O4' A A 11 7.053 1.295 -0.321 1.00 0.00 O ATOM 332 C3' A A 11 7.458 -0.823 0.546 1.00 0.00 C ATOM 333 O3' A A 11 8.346 -1.486 1.450 1.00 0.00 O ATOM 334 C2' A A 11 6.305 -0.239 1.344 1.00 0.00 C ATOM 335 O2' A A 11 6.710 0.107 2.673 1.00 0.00 O ATOM 336 C1' A A 11 5.931 1.002 0.532 1.00 0.00 C ATOM 337 N9 A A 11 4.705 0.748 -0.245 1.00 0.00 N ATOM 338 C8 A A 11 4.550 0.433 -1.555 1.00 0.00 C ATOM 339 N7 A A 11 3.350 0.218 -1.978 1.00 0.00 N ATOM 340 C5 A A 11 2.602 0.412 -0.813 1.00 0.00 C ATOM 341 C6 A A 11 1.231 0.338 -0.541 1.00 0.00 C ATOM 342 N6 A A 11 0.321 0.035 -1.465 1.00 0.00 N ATOM 343 N1 A A 11 0.836 0.588 0.720 1.00 0.00 N ATOM 344 C2 A A 11 1.733 0.892 1.661 1.00 0.00 C ATOM 345 N3 A A 11 3.048 0.989 1.513 1.00 0.00 N ATOM 346 C4 A A 11 3.420 0.735 0.244 1.00 0.00 C ATOM 0 H5' A A 11 9.716 0.929 -1.358 1.00 0.00 H new ATOM 0 H5'' A A 11 9.589 -0.785 -1.015 1.00 0.00 H new ATOM 0 H4' A A 11 8.815 0.870 0.734 1.00 0.00 H new ATOM 0 H3' A A 11 7.163 -1.536 -0.224 1.00 0.00 H new ATOM 0 H2' A A 11 5.476 -0.934 1.477 1.00 0.00 H new ATOM 0 HO2' A A 11 7.445 -0.477 2.954 1.00 0.00 H new ATOM 0 H1' A A 11 5.721 1.856 1.176 1.00 0.00 H new ATOM 0 H8 A A 11 5.399 0.365 -2.219 1.00 0.00 H new ATOM 0 H61 A A 11 -0.667 -0.006 -1.214 1.00 0.00 H new ATOM 0 H62 A A 11 0.612 -0.156 -2.424 1.00 0.00 H new ATOM 0 H2 A A 11 1.346 1.080 2.652 1.00 0.00 H new ATOM 358 P A A 12 8.325 -3.094 1.573 1.00 0.00 P ATOM 359 OP1 A A 12 9.595 -3.526 2.198 1.00 0.00 O ATOM 360 OP2 A A 12 7.919 -3.654 0.265 1.00 0.00 O ATOM 361 O5' A A 12 7.133 -3.359 2.626 1.00 0.00 O ATOM 362 C5' A A 12 7.408 -3.422 4.028 1.00 0.00 C ATOM 363 C4' A A 12 6.133 -3.575 4.856 1.00 0.00 C ATOM 364 O4' A A 12 5.148 -2.602 4.495 1.00 0.00 O ATOM 365 C3' A A 12 5.465 -4.915 4.610 1.00 0.00 C ATOM 366 O3' A A 12 6.010 -5.881 5.513 1.00 0.00 O ATOM 367 C2' A A 12 4.030 -4.638 5.013 1.00 0.00 C ATOM 368 O2' A A 12 3.848 -4.768 6.428 1.00 0.00 O ATOM 369 C1' A A 12 3.835 -3.195 4.554 1.00 0.00 C ATOM 370 N9 A A 12 3.170 -3.157 3.236 1.00 0.00 N ATOM 371 C8 A A 12 3.707 -3.046 1.997 1.00 0.00 C ATOM 372 N7 A A 12 2.896 -3.064 0.991 1.00 0.00 N ATOM 373 C5 A A 12 1.659 -3.204 1.628 1.00 0.00 C ATOM 374 C6 A A 12 0.348 -3.292 1.145 1.00 0.00 C ATOM 375 N6 A A 12 0.043 -3.252 -0.152 1.00 0.00 N ATOM 376 N1 A A 12 -0.636 -3.424 2.051 1.00 0.00 N ATOM 377 C2 A A 12 -0.354 -3.466 3.354 1.00 0.00 C ATOM 378 N3 A A 12 0.846 -3.392 3.920 1.00 0.00 N ATOM 379 C4 A A 12 1.817 -3.259 2.994 1.00 0.00 C ATOM 0 H5' A A 12 7.933 -2.518 4.335 1.00 0.00 H new ATOM 0 H5'' A A 12 8.074 -4.261 4.229 1.00 0.00 H new ATOM 0 H4' A A 12 6.452 -3.463 5.892 1.00 0.00 H new ATOM 0 H3' A A 12 5.585 -5.290 3.593 1.00 0.00 H new ATOM 0 H2' A A 12 3.313 -5.334 4.577 1.00 0.00 H new ATOM 0 HO2' A A 12 4.605 -5.258 6.812 1.00 0.00 H new ATOM 0 H1' A A 12 3.195 -2.642 5.242 1.00 0.00 H new ATOM 0 H8 A A 12 4.773 -2.946 1.855 1.00 0.00 H new ATOM 0 H61 A A 12 -0.930 -3.320 -0.449 1.00 0.00 H new ATOM 0 H62 A A 12 0.783 -3.153 -0.847 1.00 0.00 H new ATOM 0 H2 A A 12 -1.195 -3.572 4.024 1.00 0.00 H new ATOM 391 P C A 13 6.086 -7.435 5.091 1.00 0.00 P ATOM 392 OP1 C A 13 6.702 -8.187 6.207 1.00 0.00 O ATOM 393 OP2 C A 13 6.671 -7.518 3.735 1.00 0.00 O ATOM 394 O5' C A 13 4.534 -7.857 4.998 1.00 0.00 O ATOM 395 C5' C A 13 3.855 -8.373 6.147 1.00 0.00 C ATOM 396 C4' C A 13 2.351 -8.503 5.910 1.00 0.00 C ATOM 397 O4' C A 13 1.823 -7.368 5.228 1.00 0.00 O ATOM 398 C3' C A 13 2.028 -9.676 5.004 1.00 0.00 C ATOM 399 O3' C A 13 1.880 -10.852 5.809 1.00 0.00 O ATOM 400 C2' C A 13 0.663 -9.304 4.446 1.00 0.00 C ATOM 401 O2' C A 13 -0.393 -9.798 5.276 1.00 0.00 O ATOM 402 C1' C A 13 0.694 -7.772 4.435 1.00 0.00 C ATOM 403 N1 C A 13 0.803 -7.267 3.053 1.00 0.00 N ATOM 404 C2 C A 13 -0.363 -7.194 2.308 1.00 0.00 C ATOM 405 O2 C A 13 -1.434 -7.533 2.807 1.00 0.00 O ATOM 406 N3 C A 13 -0.284 -6.742 1.027 1.00 0.00 N ATOM 407 C4 C A 13 0.889 -6.376 0.498 1.00 0.00 C ATOM 408 N4 C A 13 0.929 -5.940 -0.761 1.00 0.00 N ATOM 409 C5 C A 13 2.097 -6.449 1.262 1.00 0.00 C ATOM 410 C6 C A 13 2.008 -6.898 2.529 1.00 0.00 C ATOM 0 H5' C A 13 4.033 -7.717 6.999 1.00 0.00 H new ATOM 0 H5'' C A 13 4.267 -9.348 6.405 1.00 0.00 H new ATOM 0 H4' C A 13 1.918 -8.620 6.904 1.00 0.00 H new ATOM 0 H3' C A 13 2.785 -9.865 4.243 1.00 0.00 H new ATOM 0 H2' C A 13 0.475 -9.733 3.462 1.00 0.00 H new ATOM 0 HO2' C A 13 -0.031 -10.449 5.913 1.00 0.00 H new ATOM 0 H1' C A 13 -0.226 -7.359 4.849 1.00 0.00 H new ATOM 0 H41 C A 13 1.818 -5.658 -1.175 1.00 0.00 H new ATOM 0 H42 C A 13 0.071 -5.888 -1.310 1.00 0.00 H new ATOM 0 H5 C A 13 3.046 -6.155 0.838 1.00 0.00 H new ATOM 0 H6 C A 13 2.899 -6.967 3.136 1.00 0.00 H new ATOM 422 P C A 14 2.472 -12.262 5.306 1.00 0.00 P ATOM 423 OP1 C A 14 2.594 -13.159 6.477 1.00 0.00 O ATOM 424 OP2 C A 14 3.655 -11.992 4.459 1.00 0.00 O ATOM 425 O5' C A 14 1.296 -12.826 4.362 1.00 0.00 O ATOM 426 C5' C A 14 0.255 -13.644 4.907 1.00 0.00 C ATOM 427 C4' C A 14 -0.921 -13.778 3.945 1.00 0.00 C ATOM 428 O4' C A 14 -1.318 -12.511 3.428 1.00 0.00 O ATOM 429 C3' C A 14 -0.545 -14.607 2.731 1.00 0.00 C ATOM 430 O3' C A 14 -0.693 -16.009 2.986 1.00 0.00 O ATOM 431 C2' C A 14 -1.539 -14.122 1.689 1.00 0.00 C ATOM 432 O2' C A 14 -2.757 -14.874 1.739 1.00 0.00 O ATOM 433 C1' C A 14 -1.770 -12.661 2.075 1.00 0.00 C ATOM 434 N1 C A 14 -1.037 -11.758 1.168 1.00 0.00 N ATOM 435 C2 C A 14 -1.665 -11.396 -0.013 1.00 0.00 C ATOM 436 O2 C A 14 -2.788 -11.823 -0.267 1.00 0.00 O ATOM 437 N3 C A 14 -1.006 -10.564 -0.865 1.00 0.00 N ATOM 438 C4 C A 14 0.218 -10.107 -0.573 1.00 0.00 C ATOM 439 N4 C A 14 0.833 -9.293 -1.432 1.00 0.00 N ATOM 440 C5 C A 14 0.871 -10.478 0.645 1.00 0.00 C ATOM 441 C6 C A 14 0.211 -11.303 1.482 1.00 0.00 C ATOM 0 H5' C A 14 -0.091 -13.214 5.847 1.00 0.00 H new ATOM 0 H5'' C A 14 0.652 -14.633 5.136 1.00 0.00 H new ATOM 0 H4' C A 14 -1.721 -14.244 4.520 1.00 0.00 H new ATOM 0 H3' C A 14 0.496 -14.490 2.428 1.00 0.00 H new ATOM 0 H2' C A 14 -1.175 -14.239 0.668 1.00 0.00 H new ATOM 0 HO2' C A 14 -2.631 -15.663 2.307 1.00 0.00 H new ATOM 0 HO3' C A 14 -0.445 -16.515 2.184 1.00 0.00 H new ATOM 0 H1' C A 14 -2.825 -12.399 1.992 1.00 0.00 H new ATOM 0 H41 C A 14 1.766 -8.939 -1.220 1.00 0.00 H new ATOM 0 H42 C A 14 0.371 -9.025 -2.301 1.00 0.00 H new ATOM 0 H5 C A 14 1.858 -10.110 0.885 1.00 0.00 H new ATOM 0 H6 C A 14 0.674 -11.607 2.409 1.00 0.00 H new TER 454 C A 14