USER MOD reduce.3.24.130724 H: found=0, std=0, add=184, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 184 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 DA O5' : rot 180:sc= 0 USER MOD Single : A 2 DT C7 :methyl 150:sc= -1.06 (180deg=-1.06) USER MOD Single : A 5 DT C7 :methyl -30:sc= -1.17 (180deg=-2.06) USER MOD Single : A 8 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 11 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 16 DT C7 :methyl 150:sc= -0.793 (180deg=-0.793) USER MOD Single : A 16 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 3.379 1.699 0.080 1.00 0.00 O ATOM 2 C5' DA A 1 4.751 1.851 -0.311 1.00 0.00 C ATOM 3 C4' DA A 1 5.279 3.250 -0.030 1.00 0.00 C ATOM 4 O4' DA A 1 4.433 4.252 -0.654 1.00 0.00 O ATOM 5 C3' DA A 1 5.292 3.535 1.465 1.00 0.00 C ATOM 6 O3' DA A 1 6.517 4.158 1.865 1.00 0.00 O ATOM 7 C2' DA A 1 4.138 4.455 1.685 1.00 0.00 C ATOM 8 C1' DA A 1 3.892 5.131 0.359 1.00 0.00 C ATOM 9 N9 DA A 1 2.456 5.374 0.151 1.00 0.00 N ATOM 10 C8 DA A 1 1.414 4.508 0.180 1.00 0.00 C ATOM 11 N7 DA A 1 0.236 4.985 -0.045 1.00 0.00 N ATOM 12 C5 DA A 1 0.516 6.339 -0.253 1.00 0.00 C ATOM 13 C6 DA A 1 -0.295 7.441 -0.546 1.00 0.00 C ATOM 14 N6 DA A 1 -1.618 7.353 -0.688 1.00 0.00 N ATOM 15 N1 DA A 1 0.309 8.636 -0.686 1.00 0.00 N ATOM 16 C2 DA A 1 1.633 8.742 -0.546 1.00 0.00 C ATOM 17 N3 DA A 1 2.493 7.767 -0.270 1.00 0.00 N ATOM 18 C4 DA A 1 1.864 6.582 -0.135 1.00 0.00 C ATOM 0 H5' DA A 1 4.850 1.635 -1.375 1.00 0.00 H new ATOM 0 H5'' DA A 1 5.361 1.121 0.221 1.00 0.00 H new ATOM 0 H4' DA A 1 6.290 3.296 -0.434 1.00 0.00 H new ATOM 0 H3' DA A 1 5.214 2.620 2.053 1.00 0.00 H new ATOM 0 H2' DA A 1 3.256 3.905 2.013 1.00 0.00 H new ATOM 0 H2'' DA A 1 4.364 5.187 2.461 1.00 0.00 H new ATOM 0 HO5' DA A 1 3.081 0.787 -0.120 1.00 0.00 H new ATOM 0 H1' DA A 1 4.373 6.108 0.318 1.00 0.00 H new ATOM 0 H8 DA A 1 1.564 3.458 0.384 1.00 0.00 H new ATOM 0 H61 DA A 1 -2.165 8.187 -0.902 1.00 0.00 H new ATOM 0 H62 DA A 1 -2.083 6.451 -0.583 1.00 0.00 H new ATOM 0 H2 DA A 1 2.051 9.730 -0.671 1.00 0.00 H new ATOM 31 P DT A 2 6.746 4.594 3.394 1.00 0.00 P ATOM 32 OP1 DT A 2 8.196 4.517 3.710 1.00 0.00 O ATOM 33 OP2 DT A 2 5.776 3.864 4.251 1.00 0.00 O ATOM 34 O5' DT A 2 6.308 6.139 3.311 1.00 0.00 O ATOM 35 C5' DT A 2 6.757 6.962 2.223 1.00 0.00 C ATOM 36 C4' DT A 2 6.427 8.435 2.416 1.00 0.00 C ATOM 37 O4' DT A 2 5.087 8.739 1.942 1.00 0.00 O ATOM 38 C3' DT A 2 6.489 8.827 3.885 1.00 0.00 C ATOM 39 O3' DT A 2 7.235 10.035 4.070 1.00 0.00 O ATOM 40 C2' DT A 2 5.067 9.026 4.287 1.00 0.00 C ATOM 41 C1' DT A 2 4.319 9.333 3.014 1.00 0.00 C ATOM 42 N1 DT A 2 2.935 8.809 3.046 1.00 0.00 N ATOM 43 C2 DT A 2 1.917 9.703 2.781 1.00 0.00 C ATOM 44 O2 DT A 2 2.130 10.895 2.566 1.00 0.00 O ATOM 45 N3 DT A 2 0.639 9.183 2.780 1.00 0.00 N ATOM 46 C4 DT A 2 0.293 7.867 3.020 1.00 0.00 C ATOM 47 O4 DT A 2 -0.884 7.512 2.987 1.00 0.00 O ATOM 48 C5 DT A 2 1.420 7.005 3.292 1.00 0.00 C ATOM 49 C7 DT A 2 1.182 5.524 3.574 1.00 0.00 C ATOM 50 C6 DT A 2 2.678 7.488 3.298 1.00 0.00 C ATOM 0 H5' DT A 2 6.301 6.611 1.297 1.00 0.00 H new ATOM 0 H5'' DT A 2 7.835 6.849 2.110 1.00 0.00 H new ATOM 0 H4' DT A 2 7.168 8.994 1.844 1.00 0.00 H new ATOM 0 H3' DT A 2 6.990 8.066 4.484 1.00 0.00 H new ATOM 0 H2' DT A 2 4.668 8.133 4.769 1.00 0.00 H new ATOM 0 H2'' DT A 2 4.974 9.843 5.002 1.00 0.00 H new ATOM 0 H1' DT A 2 4.217 10.409 2.876 1.00 0.00 H new ATOM 0 H3 DT A 2 -0.123 9.832 2.583 1.00 0.00 H new ATOM 0 H71 DT A 2 2.044 4.947 3.239 1.00 0.00 H new ATOM 0 H72 DT A 2 1.040 5.376 4.644 1.00 0.00 H new ATOM 0 H73 DT A 2 0.292 5.190 3.040 1.00 0.00 H new ATOM 0 H6 DT A 2 3.500 6.819 3.506 1.00 0.00 H new ATOM 63 P DC A 3 7.408 10.670 5.534 1.00 0.00 P ATOM 64 OP1 DC A 3 8.736 11.330 5.622 1.00 0.00 O ATOM 65 OP2 DC A 3 7.034 9.653 6.549 1.00 0.00 O ATOM 66 O5' DC A 3 6.267 11.803 5.488 1.00 0.00 O ATOM 67 C5' DC A 3 6.245 12.773 4.431 1.00 0.00 C ATOM 68 C4' DC A 3 5.190 13.852 4.640 1.00 0.00 C ATOM 69 O4' DC A 3 3.858 13.330 4.399 1.00 0.00 O ATOM 70 C3' DC A 3 5.223 14.383 6.067 1.00 0.00 C ATOM 71 O3' DC A 3 5.213 15.814 6.091 1.00 0.00 O ATOM 72 C2' DC A 3 3.991 13.828 6.710 1.00 0.00 C ATOM 73 C1' DC A 3 3.041 13.504 5.580 1.00 0.00 C ATOM 74 N1 DC A 3 2.254 12.279 5.852 1.00 0.00 N ATOM 75 C2 DC A 3 0.876 12.361 5.732 1.00 0.00 C ATOM 76 O2 DC A 3 0.336 13.440 5.495 1.00 0.00 O ATOM 77 N3 DC A 3 0.149 11.224 5.893 1.00 0.00 N ATOM 78 C4 DC A 3 0.741 10.054 6.161 1.00 0.00 C ATOM 79 N4 DC A 3 -0.002 8.952 6.292 1.00 0.00 N ATOM 80 C5 DC A 3 2.159 9.966 6.294 1.00 0.00 C ATOM 81 C6 DC A 3 2.871 11.097 6.137 1.00 0.00 C ATOM 0 H5' DC A 3 6.058 12.267 3.484 1.00 0.00 H new ATOM 0 H5'' DC A 3 7.226 13.241 4.354 1.00 0.00 H new ATOM 0 H4' DC A 3 5.417 14.652 3.935 1.00 0.00 H new ATOM 0 H3' DC A 3 6.131 14.084 6.590 1.00 0.00 H new ATOM 0 H2' DC A 3 4.223 12.936 7.293 1.00 0.00 H new ATOM 0 H2'' DC A 3 3.549 14.551 7.396 1.00 0.00 H new ATOM 0 H1' DC A 3 2.315 14.307 5.454 1.00 0.00 H new ATOM 0 H41 DC A 3 0.444 8.058 6.496 1.00 0.00 H new ATOM 0 H42 DC A 3 -1.015 9.005 6.188 1.00 0.00 H new ATOM 0 H5 DC A 3 2.643 9.026 6.513 1.00 0.00 H new ATOM 0 H6 DC A 3 3.946 11.068 6.238 1.00 0.00 H new ATOM 93 P DC A 4 5.323 16.600 7.487 1.00 0.00 P ATOM 94 OP1 DC A 4 5.906 17.943 7.238 1.00 0.00 O ATOM 95 OP2 DC A 4 5.953 15.709 8.494 1.00 0.00 O ATOM 96 O5' DC A 4 3.766 16.767 7.840 1.00 0.00 O ATOM 97 C5' DC A 4 2.878 17.380 6.900 1.00 0.00 C ATOM 98 C4' DC A 4 1.456 17.499 7.425 1.00 0.00 C ATOM 99 O4' DC A 4 0.747 16.235 7.322 1.00 0.00 O ATOM 100 C3' DC A 4 1.441 17.912 8.893 1.00 0.00 C ATOM 101 O3' DC A 4 0.576 19.032 9.107 1.00 0.00 O ATOM 102 C2' DC A 4 0.932 16.712 9.622 1.00 0.00 C ATOM 103 C1' DC A 4 0.156 15.919 8.602 1.00 0.00 C ATOM 104 N1 DC A 4 0.175 14.461 8.883 1.00 0.00 N ATOM 105 C2 DC A 4 -1.051 13.811 8.906 1.00 0.00 C ATOM 106 O2 DC A 4 -2.088 14.438 8.703 1.00 0.00 O ATOM 107 N3 DC A 4 -1.067 12.478 9.157 1.00 0.00 N ATOM 108 C4 DC A 4 0.064 11.799 9.377 1.00 0.00 C ATOM 109 N4 DC A 4 0.008 10.485 9.611 1.00 0.00 N ATOM 110 C5 DC A 4 1.330 12.460 9.357 1.00 0.00 C ATOM 111 C6 DC A 4 1.341 13.782 9.106 1.00 0.00 C ATOM 0 H5' DC A 4 2.873 16.798 5.979 1.00 0.00 H new ATOM 0 H5'' DC A 4 3.252 18.372 6.648 1.00 0.00 H new ATOM 0 H4' DC A 4 0.967 18.257 6.814 1.00 0.00 H new ATOM 0 H3' DC A 4 2.429 18.220 9.236 1.00 0.00 H new ATOM 0 H2' DC A 4 1.753 16.125 10.033 1.00 0.00 H new ATOM 0 H2'' DC A 4 0.297 17.002 10.459 1.00 0.00 H new ATOM 0 H1' DC A 4 -0.900 16.186 8.624 1.00 0.00 H new ATOM 0 H41 DC A 4 0.866 9.960 9.780 1.00 0.00 H new ATOM 0 H42 DC A 4 -0.893 10.007 9.621 1.00 0.00 H new ATOM 0 H5 DC A 4 2.246 11.918 9.537 1.00 0.00 H new ATOM 0 H6 DC A 4 2.281 14.313 9.080 1.00 0.00 H new ATOM 123 P DT A 5 0.350 19.614 10.587 1.00 0.00 P ATOM 124 OP1 DT A 5 0.341 21.098 10.526 1.00 0.00 O ATOM 125 OP2 DT A 5 1.281 18.931 11.521 1.00 0.00 O ATOM 126 O5' DT A 5 -1.147 19.093 10.864 1.00 0.00 O ATOM 127 C5' DT A 5 -2.186 19.352 9.908 1.00 0.00 C ATOM 128 C4' DT A 5 -3.481 18.606 10.209 1.00 0.00 C ATOM 129 O4' DT A 5 -3.285 17.169 10.174 1.00 0.00 O ATOM 130 C3' DT A 5 -4.017 18.963 11.588 1.00 0.00 C ATOM 131 O3' DT A 5 -5.409 19.291 11.520 1.00 0.00 O ATOM 132 C2' DT A 5 -3.794 17.730 12.413 1.00 0.00 C ATOM 133 C1' DT A 5 -3.711 16.591 11.430 1.00 0.00 C ATOM 134 N1 DT A 5 -2.769 15.547 11.882 1.00 0.00 N ATOM 135 C2 DT A 5 -3.265 14.264 12.034 1.00 0.00 C ATOM 136 O2 DT A 5 -4.452 13.996 11.861 1.00 0.00 O ATOM 137 N3 DT A 5 -2.346 13.298 12.402 1.00 0.00 N ATOM 138 C4 DT A 5 -1.001 13.498 12.630 1.00 0.00 C ATOM 139 O4 DT A 5 -0.278 12.555 12.947 1.00 0.00 O ATOM 140 C5 DT A 5 -0.573 14.871 12.454 1.00 0.00 C ATOM 141 C7 DT A 5 0.891 15.239 12.665 1.00 0.00 C ATOM 142 C6 DT A 5 -1.451 15.832 12.095 1.00 0.00 C ATOM 0 H5' DT A 5 -1.835 19.071 8.915 1.00 0.00 H new ATOM 0 H5'' DT A 5 -2.389 20.423 9.883 1.00 0.00 H new ATOM 0 H4' DT A 5 -4.192 18.906 9.439 1.00 0.00 H new ATOM 0 H3' DT A 5 -3.520 19.835 12.013 1.00 0.00 H new ATOM 0 H2' DT A 5 -2.877 17.810 12.997 1.00 0.00 H new ATOM 0 H2'' DT A 5 -4.610 17.579 13.119 1.00 0.00 H new ATOM 0 H1' DT A 5 -4.677 16.097 11.331 1.00 0.00 H new ATOM 0 H3 DT A 5 -2.697 12.347 12.516 1.00 0.00 H new ATOM 0 H71 DT A 5 1.331 14.572 13.406 1.00 0.00 H new ATOM 0 H72 DT A 5 1.430 15.141 11.723 1.00 0.00 H new ATOM 0 H73 DT A 5 0.960 16.268 13.017 1.00 0.00 H new ATOM 0 H6 DT A 5 -1.103 16.847 11.974 1.00 0.00 H new ATOM 155 P DA A 6 -6.086 20.239 12.624 1.00 0.00 P ATOM 156 OP1 DA A 6 -7.153 21.044 11.977 1.00 0.00 O ATOM 157 OP2 DA A 6 -5.017 20.929 13.389 1.00 0.00 O ATOM 158 O5' DA A 6 -6.769 19.133 13.566 1.00 0.00 O ATOM 159 C5' DA A 6 -7.750 18.230 13.038 1.00 0.00 C ATOM 160 C4' DA A 6 -8.192 17.194 14.059 1.00 0.00 C ATOM 161 O4' DA A 6 -7.274 16.071 14.086 1.00 0.00 O ATOM 162 C3' DA A 6 -8.221 17.797 15.462 1.00 0.00 C ATOM 163 O3' DA A 6 -9.437 17.455 16.142 1.00 0.00 O ATOM 164 C2' DA A 6 -7.038 17.192 16.148 1.00 0.00 C ATOM 165 C1' DA A 6 -6.786 15.892 15.431 1.00 0.00 C ATOM 166 N9 DA A 6 -5.362 15.502 15.463 1.00 0.00 N ATOM 167 C8 DA A 6 -4.234 16.257 15.415 1.00 0.00 C ATOM 168 N7 DA A 6 -3.103 15.640 15.536 1.00 0.00 N ATOM 169 C5 DA A 6 -3.522 14.312 15.679 1.00 0.00 C ATOM 170 C6 DA A 6 -2.831 13.107 15.857 1.00 0.00 C ATOM 171 N6 DA A 6 -1.503 13.031 15.942 1.00 0.00 N ATOM 172 N1 DA A 6 -3.564 11.985 15.958 1.00 0.00 N ATOM 173 C2 DA A 6 -4.897 12.040 15.891 1.00 0.00 C ATOM 174 N3 DA A 6 -5.646 13.119 15.731 1.00 0.00 N ATOM 175 C4 DA A 6 -4.892 14.227 15.632 1.00 0.00 C ATOM 0 H5' DA A 6 -7.341 17.723 12.164 1.00 0.00 H new ATOM 0 H5'' DA A 6 -8.618 18.797 12.701 1.00 0.00 H new ATOM 0 H4' DA A 6 -9.188 16.861 13.767 1.00 0.00 H new ATOM 0 H3' DA A 6 -8.182 18.886 15.447 1.00 0.00 H new ATOM 0 H2' DA A 6 -6.170 17.849 16.088 1.00 0.00 H new ATOM 0 H2'' DA A 6 -7.240 17.025 17.206 1.00 0.00 H new ATOM 0 H1' DA A 6 -7.306 15.071 15.925 1.00 0.00 H new ATOM 0 H8 DA A 6 -4.279 17.328 15.281 1.00 0.00 H new ATOM 0 H61 DA A 6 -1.051 12.126 16.072 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.939 13.878 15.877 1.00 0.00 H new ATOM 0 H2 DA A 6 -5.421 11.100 15.977 1.00 0.00 H new ATOM 187 P DG A 7 -9.884 18.237 17.474 1.00 0.00 P ATOM 188 OP1 DG A 7 -11.314 18.618 17.350 1.00 0.00 O ATOM 189 OP2 DG A 7 -8.878 19.286 17.776 1.00 0.00 O ATOM 190 O5' DG A 7 -9.751 17.058 18.562 1.00 0.00 O ATOM 191 C5' DG A 7 -10.095 15.704 18.228 1.00 0.00 C ATOM 192 C4' DG A 7 -9.463 14.681 19.178 1.00 0.00 C ATOM 193 O4' DG A 7 -8.057 14.485 18.868 1.00 0.00 O ATOM 194 C3' DG A 7 -9.550 15.097 20.652 1.00 0.00 C ATOM 195 O3' DG A 7 -10.112 14.049 21.450 1.00 0.00 O ATOM 196 C2' DG A 7 -8.138 15.381 21.059 1.00 0.00 C ATOM 197 C1' DG A 7 -7.262 14.656 20.065 1.00 0.00 C ATOM 198 N9 DG A 7 -6.030 15.421 19.780 1.00 0.00 N ATOM 199 C8 DG A 7 -5.869 16.744 19.521 1.00 0.00 C ATOM 200 N7 DG A 7 -4.670 17.171 19.305 1.00 0.00 N ATOM 201 C5 DG A 7 -3.921 15.997 19.429 1.00 0.00 C ATOM 202 C6 DG A 7 -2.520 15.793 19.303 1.00 0.00 C ATOM 203 O6 DG A 7 -1.647 16.622 19.052 1.00 0.00 O ATOM 204 N1 DG A 7 -2.178 14.463 19.503 1.00 0.00 N ATOM 205 C2 DG A 7 -3.068 13.449 19.789 1.00 0.00 C ATOM 206 N2 DG A 7 -2.544 12.234 19.938 1.00 0.00 N ATOM 207 N3 DG A 7 -4.387 13.630 19.911 1.00 0.00 N ATOM 208 C4 DG A 7 -4.746 14.920 19.720 1.00 0.00 C ATOM 0 H5' DG A 7 -9.774 15.493 17.208 1.00 0.00 H new ATOM 0 H5'' DG A 7 -11.179 15.593 18.250 1.00 0.00 H new ATOM 0 H4' DG A 7 -10.032 13.763 19.032 1.00 0.00 H new ATOM 0 H3' DG A 7 -10.197 15.963 20.792 1.00 0.00 H new ATOM 0 H2' DG A 7 -7.937 16.452 21.047 1.00 0.00 H new ATOM 0 H2'' DG A 7 -7.947 15.032 22.074 1.00 0.00 H new ATOM 0 H1' DG A 7 -6.938 13.693 20.461 1.00 0.00 H new ATOM 0 H8 DG A 7 -6.714 17.416 19.497 1.00 0.00 H new ATOM 0 H1 DG A 7 -1.191 14.216 19.433 1.00 0.00 H new ATOM 0 H21 DG A 7 -3.149 11.440 20.151 1.00 0.00 H new ATOM 0 H22 DG A 7 -1.538 12.097 19.839 1.00 0.00 H new ATOM 220 P DT A 8 -10.347 14.257 23.024 1.00 0.00 P ATOM 221 OP1 DT A 8 -11.627 13.609 23.408 1.00 0.00 O ATOM 222 OP2 DT A 8 -10.129 15.687 23.359 1.00 0.00 O ATOM 223 O5' DT A 8 -9.127 13.392 23.610 1.00 0.00 O ATOM 224 C5' DT A 8 -9.168 11.960 23.568 1.00 0.00 C ATOM 225 C4' DT A 8 -7.783 11.334 23.671 1.00 0.00 C ATOM 226 O4' DT A 8 -6.782 12.179 23.047 1.00 0.00 O ATOM 227 C3' DT A 8 -7.366 11.132 25.126 1.00 0.00 C ATOM 228 O3' DT A 8 -6.871 9.800 25.330 1.00 0.00 O ATOM 229 C2' DT A 8 -6.284 12.141 25.346 1.00 0.00 C ATOM 230 C1' DT A 8 -5.708 12.419 23.981 1.00 0.00 C ATOM 231 N1 DT A 8 -5.182 13.798 23.872 1.00 0.00 N ATOM 232 C2 DT A 8 -3.861 13.940 23.482 1.00 0.00 C ATOM 233 O2 DT A 8 -3.149 12.972 23.220 1.00 0.00 O ATOM 234 N3 DT A 8 -3.383 15.234 23.403 1.00 0.00 N ATOM 235 C4 DT A 8 -4.100 16.385 23.677 1.00 0.00 C ATOM 236 O4 DT A 8 -3.573 17.491 23.581 1.00 0.00 O ATOM 237 C5 DT A 8 -5.470 16.143 24.075 1.00 0.00 C ATOM 238 C7 DT A 8 -6.368 17.327 24.417 1.00 0.00 C ATOM 239 C6 DT A 8 -5.961 14.889 24.157 1.00 0.00 C ATOM 0 H5' DT A 8 -9.640 11.640 22.639 1.00 0.00 H new ATOM 0 H5'' DT A 8 -9.791 11.593 24.384 1.00 0.00 H new ATOM 0 H4' DT A 8 -7.843 10.372 23.162 1.00 0.00 H new ATOM 0 H3' DT A 8 -8.197 11.258 25.820 1.00 0.00 H new ATOM 0 H2' DT A 8 -6.681 13.050 25.797 1.00 0.00 H new ATOM 0 H2'' DT A 8 -5.521 11.757 26.023 1.00 0.00 H new ATOM 0 H1' DT A 8 -4.853 11.775 23.776 1.00 0.00 H new ATOM 0 H3 DT A 8 -2.411 15.352 23.116 1.00 0.00 H new ATOM 0 H71 DT A 8 -7.402 17.081 24.176 1.00 0.00 H new ATOM 0 H72 DT A 8 -6.286 17.550 25.481 1.00 0.00 H new ATOM 0 H73 DT A 8 -6.058 18.198 23.839 1.00 0.00 H new ATOM 0 H6 DT A 8 -6.989 14.742 24.453 1.00 0.00 H new ATOM 252 P DT A 9 -6.547 9.247 26.804 1.00 0.00 P ATOM 253 OP1 DT A 9 -6.457 7.765 26.751 1.00 0.00 O ATOM 254 OP2 DT A 9 -7.478 9.882 27.772 1.00 0.00 O ATOM 255 O5' DT A 9 -5.074 9.852 27.023 1.00 0.00 O ATOM 256 C5' DT A 9 -3.926 9.248 26.406 1.00 0.00 C ATOM 257 C4' DT A 9 -3.124 10.243 25.567 1.00 0.00 C ATOM 258 O4' DT A 9 -3.353 11.601 26.016 1.00 0.00 O ATOM 259 C3' DT A 9 -1.627 9.981 25.664 1.00 0.00 C ATOM 260 O3' DT A 9 -1.010 10.017 24.376 1.00 0.00 O ATOM 261 C2' DT A 9 -1.102 11.081 26.529 1.00 0.00 C ATOM 262 C1' DT A 9 -2.107 12.203 26.424 1.00 0.00 C ATOM 263 N1 DT A 9 -2.274 12.896 27.715 1.00 0.00 N ATOM 264 C2 DT A 9 -2.074 14.264 27.735 1.00 0.00 C ATOM 265 O2 DT A 9 -1.749 14.893 26.731 1.00 0.00 O ATOM 266 N3 DT A 9 -2.267 14.886 28.956 1.00 0.00 N ATOM 267 C4 DT A 9 -2.635 14.265 30.138 1.00 0.00 C ATOM 268 O4 DT A 9 -2.781 14.917 31.169 1.00 0.00 O ATOM 269 C5 DT A 9 -2.820 12.836 30.018 1.00 0.00 C ATOM 270 C7 DT A 9 -3.237 12.025 31.240 1.00 0.00 C ATOM 271 C6 DT A 9 -2.638 12.209 28.840 1.00 0.00 C ATOM 0 H5' DT A 9 -4.250 8.421 25.773 1.00 0.00 H new ATOM 0 H5'' DT A 9 -3.282 8.826 27.178 1.00 0.00 H new ATOM 0 H4' DT A 9 -3.459 10.115 24.538 1.00 0.00 H new ATOM 0 H3' DT A 9 -1.415 8.993 26.073 1.00 0.00 H new ATOM 0 H2' DT A 9 -0.994 10.749 27.561 1.00 0.00 H new ATOM 0 H2'' DT A 9 -0.117 11.406 26.194 1.00 0.00 H new ATOM 0 H1' DT A 9 -1.770 12.951 25.707 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.125 15.896 28.988 1.00 0.00 H new ATOM 0 H71 DT A 9 -3.823 11.163 30.922 1.00 0.00 H new ATOM 0 H72 DT A 9 -2.348 11.684 31.771 1.00 0.00 H new ATOM 0 H73 DT A 9 -3.838 12.648 31.902 1.00 0.00 H new ATOM 0 H6 DT A 9 -2.783 11.140 28.783 1.00 0.00 H new ATOM 284 P DA A 10 -0.027 8.836 23.934 1.00 0.00 P ATOM 285 OP1 DA A 10 0.897 8.535 25.056 1.00 0.00 O ATOM 286 OP2 DA A 10 0.537 9.147 22.597 1.00 0.00 O ATOM 287 O5' DA A 10 -1.085 7.636 23.802 1.00 0.00 O ATOM 288 C5' DA A 10 -0.652 6.287 23.983 1.00 0.00 C ATOM 289 C4' DA A 10 -1.407 5.308 23.091 1.00 0.00 C ATOM 290 O4' DA A 10 -2.689 5.868 22.701 1.00 0.00 O ATOM 291 C3' DA A 10 -0.617 5.069 21.814 1.00 0.00 C ATOM 292 O3' DA A 10 -0.880 3.769 21.283 1.00 0.00 O ATOM 293 C2' DA A 10 -1.136 6.125 20.904 1.00 0.00 C ATOM 294 C1' DA A 10 -2.567 6.332 21.346 1.00 0.00 C ATOM 295 N9 DA A 10 -3.050 7.716 21.225 1.00 0.00 N ATOM 296 C8 DA A 10 -2.361 8.875 21.256 1.00 0.00 C ATOM 297 N7 DA A 10 -3.031 9.973 21.259 1.00 0.00 N ATOM 298 C5 DA A 10 -4.341 9.502 21.249 1.00 0.00 C ATOM 299 C6 DA A 10 -5.576 10.148 21.243 1.00 0.00 C ATOM 300 N6 DA A 10 -5.697 11.472 21.189 1.00 0.00 N ATOM 301 N1 DA A 10 -6.680 9.378 21.237 1.00 0.00 N ATOM 302 C2 DA A 10 -6.572 8.049 21.232 1.00 0.00 C ATOM 303 N3 DA A 10 -5.451 7.334 21.232 1.00 0.00 N ATOM 304 C4 DA A 10 -4.363 8.130 21.241 1.00 0.00 C ATOM 0 H5' DA A 10 -0.788 6.002 25.026 1.00 0.00 H new ATOM 0 H5'' DA A 10 0.415 6.219 23.770 1.00 0.00 H new ATOM 0 H4' DA A 10 -1.548 4.382 23.648 1.00 0.00 H new ATOM 0 H3' DA A 10 0.462 5.113 21.961 1.00 0.00 H new ATOM 0 H2' DA A 10 -0.556 7.044 20.991 1.00 0.00 H new ATOM 0 H2'' DA A 10 -1.083 5.812 19.861 1.00 0.00 H new ATOM 0 H1' DA A 10 -3.202 5.759 20.670 1.00 0.00 H new ATOM 0 H8 DA A 10 -1.281 8.881 21.278 1.00 0.00 H new ATOM 0 H61 DA A 10 -6.623 11.900 21.187 1.00 0.00 H new ATOM 0 H62 DA A 10 -4.864 12.059 21.150 1.00 0.00 H new ATOM 0 H2 DA A 10 -7.497 7.492 21.227 1.00 0.00 H new ATOM 316 P DT A 11 -0.222 3.307 19.895 1.00 0.00 P ATOM 317 OP1 DT A 11 0.197 1.888 20.007 1.00 0.00 O ATOM 318 OP2 DT A 11 0.766 4.330 19.466 1.00 0.00 O ATOM 319 O5' DT A 11 -1.516 3.400 18.947 1.00 0.00 O ATOM 320 C5' DT A 11 -2.790 2.966 19.441 1.00 0.00 C ATOM 321 C4' DT A 11 -3.967 3.540 18.663 1.00 0.00 C ATOM 322 O4' DT A 11 -3.950 4.993 18.646 1.00 0.00 O ATOM 323 C3' DT A 11 -3.964 3.065 17.216 1.00 0.00 C ATOM 324 O3' DT A 11 -5.215 2.461 16.875 1.00 0.00 O ATOM 325 C2' DT A 11 -3.723 4.302 16.405 1.00 0.00 C ATOM 326 C1' DT A 11 -4.134 5.453 17.288 1.00 0.00 C ATOM 327 N1 DT A 11 -3.342 6.674 17.004 1.00 0.00 N ATOM 328 C2 DT A 11 -4.043 7.813 16.655 1.00 0.00 C ATOM 329 O2 DT A 11 -5.269 7.826 16.566 1.00 0.00 O ATOM 330 N3 DT A 11 -3.285 8.943 16.411 1.00 0.00 N ATOM 331 C4 DT A 11 -1.907 9.034 16.492 1.00 0.00 C ATOM 332 O4 DT A 11 -1.334 10.100 16.272 1.00 0.00 O ATOM 333 C5 DT A 11 -1.259 7.794 16.861 1.00 0.00 C ATOM 334 C7 DT A 11 0.259 7.753 16.985 1.00 0.00 C ATOM 335 C6 DT A 11 -1.975 6.677 17.100 1.00 0.00 C ATOM 0 H5' DT A 11 -2.882 3.252 20.489 1.00 0.00 H new ATOM 0 H5'' DT A 11 -2.835 1.878 19.403 1.00 0.00 H new ATOM 0 H4' DT A 11 -4.861 3.186 19.176 1.00 0.00 H new ATOM 0 H3' DT A 11 -3.204 2.305 17.035 1.00 0.00 H new ATOM 0 H2' DT A 11 -2.675 4.384 16.117 1.00 0.00 H new ATOM 0 H2'' DT A 11 -4.306 4.287 15.484 1.00 0.00 H new ATOM 0 H1' DT A 11 -5.170 5.739 17.108 1.00 0.00 H new ATOM 0 H3 DT A 11 -3.789 9.789 16.146 1.00 0.00 H new ATOM 0 H71 DT A 11 0.543 7.010 17.730 1.00 0.00 H new ATOM 0 H72 DT A 11 0.696 7.487 16.022 1.00 0.00 H new ATOM 0 H73 DT A 11 0.626 8.733 17.291 1.00 0.00 H new ATOM 0 H6 DT A 11 -1.461 5.767 17.372 1.00 0.00 H new ATOM 348 P DA A 12 -5.459 1.867 15.405 1.00 0.00 P ATOM 349 OP1 DA A 12 -6.403 0.724 15.497 1.00 0.00 O ATOM 350 OP2 DA A 12 -4.145 1.675 14.740 1.00 0.00 O ATOM 351 O5' DA A 12 -6.211 3.110 14.724 1.00 0.00 O ATOM 352 C5' DA A 12 -7.288 3.763 15.407 1.00 0.00 C ATOM 353 C4' DA A 12 -7.969 4.818 14.547 1.00 0.00 C ATOM 354 O4' DA A 12 -7.260 6.084 14.611 1.00 0.00 O ATOM 355 C3' DA A 12 -8.007 4.392 13.086 1.00 0.00 C ATOM 356 O3' DA A 12 -9.316 4.566 12.536 1.00 0.00 O ATOM 357 C2' DA A 12 -7.019 5.283 12.401 1.00 0.00 C ATOM 358 C1' DA A 12 -6.893 6.503 13.276 1.00 0.00 C ATOM 359 N9 DA A 12 -5.522 7.056 13.239 1.00 0.00 N ATOM 360 C8 DA A 12 -4.329 6.443 13.434 1.00 0.00 C ATOM 361 N7 DA A 12 -3.264 7.176 13.373 1.00 0.00 N ATOM 362 C5 DA A 12 -3.805 8.437 13.102 1.00 0.00 C ATOM 363 C6 DA A 12 -3.230 9.702 12.909 1.00 0.00 C ATOM 364 N6 DA A 12 -1.916 9.938 12.970 1.00 0.00 N ATOM 365 N1 DA A 12 -4.065 10.722 12.660 1.00 0.00 N ATOM 366 C2 DA A 12 -5.378 10.528 12.603 1.00 0.00 C ATOM 367 N3 DA A 12 -6.029 9.384 12.768 1.00 0.00 N ATOM 368 C4 DA A 12 -5.179 8.369 13.017 1.00 0.00 C ATOM 0 H5' DA A 12 -6.908 4.230 16.316 1.00 0.00 H new ATOM 0 H5'' DA A 12 -8.023 3.019 15.714 1.00 0.00 H new ATOM 0 H4' DA A 12 -8.981 4.931 14.937 1.00 0.00 H new ATOM 0 H3' DA A 12 -7.764 3.337 12.962 1.00 0.00 H new ATOM 0 H2' DA A 12 -6.057 4.784 12.285 1.00 0.00 H new ATOM 0 H2'' DA A 12 -7.362 5.552 11.402 1.00 0.00 H new ATOM 0 H1' DA A 12 -7.544 7.304 12.926 1.00 0.00 H new ATOM 0 H8 DA A 12 -4.269 5.383 13.633 1.00 0.00 H new ATOM 0 H61 DA A 12 -1.560 10.882 12.820 1.00 0.00 H new ATOM 0 H62 DA A 12 -1.269 9.174 13.166 1.00 0.00 H new ATOM 0 H2 DA A 12 -5.983 11.399 12.400 1.00 0.00 H new ATOM 380 P DG A 13 -9.604 4.212 10.998 1.00 0.00 P ATOM 381 OP1 DG A 13 -10.992 3.697 10.874 1.00 0.00 O ATOM 382 OP2 DG A 13 -8.478 3.399 10.472 1.00 0.00 O ATOM 383 O5' DG A 13 -9.532 5.682 10.354 1.00 0.00 O ATOM 384 C5' DG A 13 -10.206 6.785 10.979 1.00 0.00 C ATOM 385 C4' DG A 13 -10.098 8.070 10.172 1.00 0.00 C ATOM 386 O4' DG A 13 -8.806 8.704 10.368 1.00 0.00 O ATOM 387 C3' DG A 13 -10.248 7.793 8.683 1.00 0.00 C ATOM 388 O3' DG A 13 -11.154 8.715 8.072 1.00 0.00 O ATOM 389 C2' DG A 13 -8.870 7.950 8.128 1.00 0.00 C ATOM 390 C1' DG A 13 -8.123 8.830 9.099 1.00 0.00 C ATOM 391 N9 DG A 13 -6.713 8.409 9.219 1.00 0.00 N ATOM 392 C8 DG A 13 -6.201 7.171 9.430 1.00 0.00 C ATOM 393 N7 DG A 13 -4.924 7.062 9.559 1.00 0.00 N ATOM 394 C5 DG A 13 -4.513 8.388 9.415 1.00 0.00 C ATOM 395 C6 DG A 13 -3.209 8.940 9.455 1.00 0.00 C ATOM 396 O6 DG A 13 -2.138 8.364 9.630 1.00 0.00 O ATOM 397 N1 DG A 13 -3.234 10.311 9.264 1.00 0.00 N ATOM 398 C2 DG A 13 -4.368 11.069 9.056 1.00 0.00 C ATOM 399 N2 DG A 13 -4.177 12.376 8.876 1.00 0.00 N ATOM 400 N3 DG A 13 -5.603 10.559 9.018 1.00 0.00 N ATOM 401 C4 DG A 13 -5.604 9.220 9.204 1.00 0.00 C ATOM 0 H5' DG A 13 -9.786 6.947 11.972 1.00 0.00 H new ATOM 0 H5'' DG A 13 -11.258 6.533 11.115 1.00 0.00 H new ATOM 0 H4' DG A 13 -10.897 8.725 10.519 1.00 0.00 H new ATOM 0 H3' DG A 13 -10.660 6.802 8.492 1.00 0.00 H new ATOM 0 H2' DG A 13 -8.380 6.982 8.023 1.00 0.00 H new ATOM 0 H2'' DG A 13 -8.899 8.401 7.136 1.00 0.00 H new ATOM 0 H1' DG A 13 -8.110 9.865 8.758 1.00 0.00 H new ATOM 0 H8 DG A 13 -6.843 6.305 9.488 1.00 0.00 H new ATOM 0 H1 DG A 13 -2.340 10.801 9.278 1.00 0.00 H new ATOM 0 H21 DG A 13 -4.975 12.991 8.717 1.00 0.00 H new ATOM 0 H22 DG A 13 -3.233 12.761 8.897 1.00 0.00 H new ATOM 413 P DG A 14 -11.467 8.619 6.501 1.00 0.00 P ATOM 414 OP1 DG A 14 -12.920 8.837 6.287 1.00 0.00 O ATOM 415 OP2 DG A 14 -10.827 7.395 5.956 1.00 0.00 O ATOM 416 O5' DG A 14 -10.663 9.905 5.974 1.00 0.00 O ATOM 417 C5' DG A 14 -10.778 11.163 6.653 1.00 0.00 C ATOM 418 C4' DG A 14 -9.919 12.248 6.019 1.00 0.00 C ATOM 419 O4' DG A 14 -8.522 12.072 6.367 1.00 0.00 O ATOM 420 C3' DG A 14 -10.022 12.199 4.501 1.00 0.00 C ATOM 421 O3' DG A 14 -10.217 13.507 3.955 1.00 0.00 O ATOM 422 C2' DG A 14 -8.717 11.618 4.053 1.00 0.00 C ATOM 423 C1' DG A 14 -7.737 11.893 5.166 1.00 0.00 C ATOM 424 N9 DG A 14 -6.781 10.779 5.321 1.00 0.00 N ATOM 425 C8 DG A 14 -7.016 9.452 5.429 1.00 0.00 C ATOM 426 N7 DG A 14 -6.002 8.674 5.602 1.00 0.00 N ATOM 427 C5 DG A 14 -4.945 9.586 5.607 1.00 0.00 C ATOM 428 C6 DG A 14 -3.553 9.365 5.757 1.00 0.00 C ATOM 429 O6 DG A 14 -2.959 8.304 5.933 1.00 0.00 O ATOM 430 N1 DG A 14 -2.845 10.552 5.696 1.00 0.00 N ATOM 431 C2 DG A 14 -3.394 11.803 5.515 1.00 0.00 C ATOM 432 N2 DG A 14 -2.537 12.820 5.468 1.00 0.00 N ATOM 433 N3 DG A 14 -4.702 12.024 5.378 1.00 0.00 N ATOM 434 C4 DG A 14 -5.417 10.879 5.431 1.00 0.00 C ATOM 0 H5' DG A 14 -10.487 11.037 7.696 1.00 0.00 H new ATOM 0 H5'' DG A 14 -11.821 11.481 6.649 1.00 0.00 H new ATOM 0 H4' DG A 14 -10.284 13.204 6.395 1.00 0.00 H new ATOM 0 H3' DG A 14 -10.874 11.607 4.166 1.00 0.00 H new ATOM 0 H2' DG A 14 -8.809 10.548 3.869 1.00 0.00 H new ATOM 0 H2'' DG A 14 -8.386 12.074 3.120 1.00 0.00 H new ATOM 0 H1' DG A 14 -7.142 12.781 4.950 1.00 0.00 H new ATOM 0 H8 DG A 14 -8.019 9.057 5.372 1.00 0.00 H new ATOM 0 H1 DG A 14 -1.831 10.497 5.793 1.00 0.00 H new ATOM 0 H21 DG A 14 -2.881 13.771 5.336 1.00 0.00 H new ATOM 0 H22 DG A 14 -1.536 12.648 5.564 1.00 0.00 H new ATOM 446 P DA A 15 -10.399 13.710 2.373 1.00 0.00 P ATOM 447 OP1 DA A 15 -11.304 14.863 2.137 1.00 0.00 O ATOM 448 OP2 DA A 15 -10.716 12.399 1.753 1.00 0.00 O ATOM 449 O5' DA A 15 -8.901 14.131 1.969 1.00 0.00 O ATOM 450 C5' DA A 15 -8.392 15.425 2.314 1.00 0.00 C ATOM 451 C4' DA A 15 -7.003 15.679 1.745 1.00 0.00 C ATOM 452 O4' DA A 15 -6.040 14.730 2.277 1.00 0.00 O ATOM 453 C3' DA A 15 -6.996 15.531 0.228 1.00 0.00 C ATOM 454 O3' DA A 15 -6.327 16.626 -0.404 1.00 0.00 O ATOM 455 C2' DA A 15 -6.266 14.255 -0.029 1.00 0.00 C ATOM 456 C1' DA A 15 -5.408 14.018 1.188 1.00 0.00 C ATOM 457 N9 DA A 15 -5.292 12.577 1.479 1.00 0.00 N ATOM 458 C8 DA A 15 -6.247 11.613 1.490 1.00 0.00 C ATOM 459 N7 DA A 15 -5.871 10.406 1.747 1.00 0.00 N ATOM 460 C5 DA A 15 -4.497 10.574 1.937 1.00 0.00 C ATOM 461 C6 DA A 15 -3.468 9.682 2.245 1.00 0.00 C ATOM 462 N6 DA A 15 -3.660 8.376 2.418 1.00 0.00 N ATOM 463 N1 DA A 15 -2.232 10.185 2.361 1.00 0.00 N ATOM 464 C2 DA A 15 -2.008 11.487 2.186 1.00 0.00 C ATOM 465 N3 DA A 15 -2.904 12.420 1.887 1.00 0.00 N ATOM 466 C4 DA A 15 -4.138 11.893 1.776 1.00 0.00 C ATOM 0 H5' DA A 15 -8.359 15.521 3.399 1.00 0.00 H new ATOM 0 H5'' DA A 15 -9.076 16.190 1.947 1.00 0.00 H new ATOM 0 H4' DA A 15 -6.731 16.696 2.028 1.00 0.00 H new ATOM 0 H3' DA A 15 -8.008 15.523 -0.177 1.00 0.00 H new ATOM 0 H2' DA A 15 -6.962 13.431 -0.183 1.00 0.00 H new ATOM 0 H2'' DA A 15 -5.656 14.329 -0.929 1.00 0.00 H new ATOM 0 H1' DA A 15 -4.391 14.377 1.031 1.00 0.00 H new ATOM 0 H8 DA A 15 -7.282 11.847 1.291 1.00 0.00 H new ATOM 0 H61 DA A 15 -2.871 7.770 2.642 1.00 0.00 H new ATOM 0 H62 DA A 15 -4.596 7.982 2.327 1.00 0.00 H new ATOM 0 H2 DA A 15 -0.987 11.819 2.300 1.00 0.00 H new ATOM 478 P DT A 16 -6.169 16.656 -2.002 1.00 0.00 P ATOM 479 OP1 DT A 16 -6.315 18.056 -2.478 1.00 0.00 O ATOM 480 OP2 DT A 16 -7.027 15.596 -2.590 1.00 0.00 O ATOM 481 O5' DT A 16 -4.629 16.217 -2.138 1.00 0.00 O ATOM 482 C5' DT A 16 -3.601 17.013 -1.535 1.00 0.00 C ATOM 483 C4' DT A 16 -2.206 16.434 -1.726 1.00 0.00 C ATOM 484 O4' DT A 16 -2.071 15.146 -1.071 1.00 0.00 O ATOM 485 C3' DT A 16 -1.883 16.237 -3.202 1.00 0.00 C ATOM 486 O3' DT A 16 -0.633 16.847 -3.540 1.00 0.00 O ATOM 487 C2' DT A 16 -1.828 14.750 -3.389 1.00 0.00 C ATOM 488 C1' DT A 16 -1.571 14.174 -2.018 1.00 0.00 C ATOM 489 N1 DT A 16 -2.236 12.862 -1.848 1.00 0.00 N ATOM 490 C2 DT A 16 -1.441 11.789 -1.489 1.00 0.00 C ATOM 491 O2 DT A 16 -0.228 11.900 -1.320 1.00 0.00 O ATOM 492 N3 DT A 16 -2.090 10.577 -1.337 1.00 0.00 N ATOM 493 C4 DT A 16 -3.441 10.349 -1.512 1.00 0.00 C ATOM 494 O4 DT A 16 -3.909 9.223 -1.354 1.00 0.00 O ATOM 495 C5 DT A 16 -4.191 11.527 -1.887 1.00 0.00 C ATOM 496 C7 DT A 16 -5.695 11.418 -2.115 1.00 0.00 C ATOM 497 C6 DT A 16 -3.583 12.720 -2.039 1.00 0.00 C ATOM 0 H5' DT A 16 -3.804 17.111 -0.469 1.00 0.00 H new ATOM 0 H5'' DT A 16 -3.632 18.017 -1.959 1.00 0.00 H new ATOM 0 H4' DT A 16 -1.516 17.152 -1.284 1.00 0.00 H new ATOM 0 H3' DT A 16 -2.627 16.702 -3.850 1.00 0.00 H new ATOM 0 H2' DT A 16 -2.763 14.373 -3.803 1.00 0.00 H new ATOM 0 H2'' DT A 16 -1.036 14.472 -4.085 1.00 0.00 H new ATOM 0 HO3' DT A 16 -0.447 16.706 -4.492 1.00 0.00 H new ATOM 0 H1' DT A 16 -0.508 13.989 -1.865 1.00 0.00 H new ATOM 0 H3 DT A 16 -1.517 9.776 -1.071 1.00 0.00 H new ATOM 0 H71 DT A 16 -6.171 12.366 -1.863 1.00 0.00 H new ATOM 0 H72 DT A 16 -5.888 11.182 -3.161 1.00 0.00 H new ATOM 0 H73 DT A 16 -6.102 10.629 -1.483 1.00 0.00 H new ATOM 0 H6 DT A 16 -4.171 13.582 -2.317 1.00 0.00 H new TER 511 DT A 16