USER MOD reduce.3.24.130724 H: found=0, std=0, add=212, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 212 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 Set 1.1: C 15 DT C7 :methyl 150:sc= -0.53 (180deg=-0.53) USER MOD Set 1.2: C 16 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Set 2.1: B 9 DT C7 :methyl 150:sc= -0.296 (180deg=-0.296) USER MOD Set 2.2: B 10 DT C7 :methyl 150:sc= -0.442 (180deg=-0.442) USER MOD Single : A 1 DA O5' : rot 180:sc= 0 USER MOD Single : A 6 DA O3' : rot 180:sc= 0 USER MOD Single : B 7 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 7 DT O5' : rot 180:sc= 0 USER MOD Single : B 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 12 DT O3' : rot 180:sc= 0 USER MOD Single : C 13 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 13 DT O5' : rot 180:sc= 0 USER MOD Single : C 18 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : C 18 DT O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DA A 1 -2.161 -9.263 -11.145 1.00 0.00 O ATOM 2 C5' DA A 1 -2.074 -9.472 -9.752 1.00 0.00 C ATOM 3 C4' DA A 1 -0.858 -8.733 -9.190 1.00 0.00 C ATOM 4 O4' DA A 1 -1.006 -7.334 -9.337 1.00 0.00 O ATOM 5 C3' DA A 1 -0.657 -8.995 -7.690 1.00 0.00 C ATOM 6 O3' DA A 1 0.454 -9.856 -7.500 1.00 0.00 O ATOM 7 C2' DA A 1 -0.466 -7.590 -7.108 1.00 0.00 C ATOM 8 C1' DA A 1 -0.214 -6.727 -8.339 1.00 0.00 C ATOM 9 N9 DA A 1 -0.634 -5.314 -8.173 1.00 0.00 N ATOM 10 C8 DA A 1 -1.881 -4.824 -7.867 1.00 0.00 C ATOM 11 N7 DA A 1 -1.945 -3.524 -7.791 1.00 0.00 N ATOM 12 C5 DA A 1 -0.648 -3.113 -8.067 1.00 0.00 C ATOM 13 C6 DA A 1 -0.042 -1.841 -8.157 1.00 0.00 C ATOM 14 N6 DA A 1 -0.700 -0.690 -7.978 1.00 0.00 N ATOM 15 N1 DA A 1 1.271 -1.782 -8.446 1.00 0.00 N ATOM 16 C2 DA A 1 1.948 -2.908 -8.636 1.00 0.00 C ATOM 17 N3 DA A 1 1.498 -4.163 -8.585 1.00 0.00 N ATOM 18 C4 DA A 1 0.166 -4.199 -8.295 1.00 0.00 C ATOM 0 H5' DA A 1 -1.993 -10.538 -9.540 1.00 0.00 H new ATOM 0 H5'' DA A 1 -2.983 -9.118 -9.265 1.00 0.00 H new ATOM 0 H4' DA A 1 -0.002 -9.106 -9.753 1.00 0.00 H new ATOM 0 H3' DA A 1 -1.484 -9.506 -7.197 1.00 0.00 H new ATOM 0 H2' DA A 1 -1.348 -7.259 -6.560 1.00 0.00 H new ATOM 0 H2'' DA A 1 0.373 -7.554 -6.414 1.00 0.00 H new ATOM 0 HO5' DA A 1 -2.940 -9.740 -11.499 1.00 0.00 H new ATOM 0 H1' DA A 1 0.852 -6.681 -8.563 1.00 0.00 H new ATOM 0 H8 DA A 1 -2.737 -5.462 -7.703 1.00 0.00 H new ATOM 0 H61 DA A 1 -0.205 0.198 -8.056 1.00 0.00 H new ATOM 0 H62 DA A 1 -1.697 -0.701 -7.763 1.00 0.00 H new ATOM 0 H2 DA A 1 2.998 -2.793 -8.861 1.00 0.00 H new ATOM 31 P DG A 2 0.947 -10.332 -6.033 1.00 0.00 P ATOM 32 OP1 DG A 2 1.625 -11.640 -6.175 1.00 0.00 O ATOM 33 OP2 DG A 2 -0.178 -10.186 -5.082 1.00 0.00 O ATOM 34 O5' DG A 2 2.060 -9.224 -5.669 1.00 0.00 O ATOM 35 C5' DG A 2 3.279 -9.141 -6.384 1.00 0.00 C ATOM 36 C4' DG A 2 4.069 -7.917 -5.919 1.00 0.00 C ATOM 37 O4' DG A 2 3.345 -6.737 -6.225 1.00 0.00 O ATOM 38 C3' DG A 2 4.333 -7.927 -4.405 1.00 0.00 C ATOM 39 O3' DG A 2 5.731 -7.837 -4.186 1.00 0.00 O ATOM 40 C2' DG A 2 3.563 -6.691 -3.920 1.00 0.00 C ATOM 41 C1' DG A 2 3.540 -5.829 -5.165 1.00 0.00 C ATOM 42 N9 DG A 2 2.434 -4.853 -5.100 1.00 0.00 N ATOM 43 C8 DG A 2 1.106 -5.102 -4.885 1.00 0.00 C ATOM 44 N7 DG A 2 0.353 -4.038 -4.877 1.00 0.00 N ATOM 45 C5 DG A 2 1.251 -3.003 -5.103 1.00 0.00 C ATOM 46 C6 DG A 2 1.022 -1.599 -5.192 1.00 0.00 C ATOM 47 O6 DG A 2 -0.045 -1.005 -5.085 1.00 0.00 O ATOM 48 N1 DG A 2 2.196 -0.883 -5.429 1.00 0.00 N ATOM 49 C2 DG A 2 3.450 -1.459 -5.563 1.00 0.00 C ATOM 50 N2 DG A 2 4.481 -0.633 -5.781 1.00 0.00 N ATOM 51 N3 DG A 2 3.665 -2.782 -5.474 1.00 0.00 N ATOM 52 C4 DG A 2 2.529 -3.493 -5.243 1.00 0.00 C ATOM 0 H5' DG A 2 3.080 -9.072 -7.453 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.866 -10.046 -6.226 1.00 0.00 H new ATOM 0 H4' DG A 2 5.026 -7.945 -6.440 1.00 0.00 H new ATOM 0 H3' DG A 2 4.012 -8.825 -3.877 1.00 0.00 H new ATOM 0 H2' DG A 2 2.559 -6.943 -3.579 1.00 0.00 H new ATOM 0 H2'' DG A 2 4.067 -6.196 -3.090 1.00 0.00 H new ATOM 0 H1' DG A 2 4.455 -5.249 -5.285 1.00 0.00 H new ATOM 0 H8 DG A 2 0.714 -6.097 -4.734 1.00 0.00 H new ATOM 0 H1 DG A 2 2.127 0.132 -5.509 1.00 0.00 H new ATOM 0 H21 DG A 2 5.423 -1.010 -5.886 1.00 0.00 H new ATOM 0 H22 DG A 2 4.324 0.373 -5.842 1.00 0.00 H new ATOM 64 P DA A 3 6.381 -7.810 -2.705 1.00 0.00 P ATOM 65 OP1 DA A 3 7.775 -8.298 -2.800 1.00 0.00 O ATOM 66 OP2 DA A 3 5.439 -8.447 -1.756 1.00 0.00 O ATOM 67 O5' DA A 3 6.418 -6.230 -2.396 1.00 0.00 O ATOM 68 C5' DA A 3 7.233 -5.360 -3.154 1.00 0.00 C ATOM 69 C4' DA A 3 6.931 -3.907 -2.794 1.00 0.00 C ATOM 70 O4' DA A 3 5.601 -3.546 -3.095 1.00 0.00 O ATOM 71 C3' DA A 3 7.155 -3.564 -1.315 1.00 0.00 C ATOM 72 O3' DA A 3 8.415 -2.930 -1.180 1.00 0.00 O ATOM 73 C2' DA A 3 5.935 -2.695 -0.978 1.00 0.00 C ATOM 74 C1' DA A 3 5.348 -2.379 -2.343 1.00 0.00 C ATOM 75 N9 DA A 3 3.898 -2.146 -2.213 1.00 0.00 N ATOM 76 C8 DA A 3 2.913 -3.058 -1.930 1.00 0.00 C ATOM 77 N7 DA A 3 1.718 -2.540 -1.882 1.00 0.00 N ATOM 78 C5 DA A 3 1.920 -1.193 -2.145 1.00 0.00 C ATOM 79 C6 DA A 3 1.048 -0.085 -2.241 1.00 0.00 C ATOM 80 N6 DA A 3 -0.276 -0.167 -2.080 1.00 0.00 N ATOM 81 N1 DA A 3 1.582 1.119 -2.511 1.00 0.00 N ATOM 82 C2 DA A 3 2.896 1.228 -2.678 1.00 0.00 C ATOM 83 N3 DA A 3 3.818 0.271 -2.617 1.00 0.00 N ATOM 84 C4 DA A 3 3.255 -0.938 -2.345 1.00 0.00 C ATOM 0 H5' DA A 3 7.060 -5.522 -4.218 1.00 0.00 H new ATOM 0 H5'' DA A 3 8.284 -5.578 -2.965 1.00 0.00 H new ATOM 0 H4' DA A 3 7.641 -3.348 -3.404 1.00 0.00 H new ATOM 0 H3' DA A 3 7.210 -4.405 -0.624 1.00 0.00 H new ATOM 0 H2' DA A 3 5.223 -3.227 -0.347 1.00 0.00 H new ATOM 0 H2'' DA A 3 6.221 -1.789 -0.443 1.00 0.00 H new ATOM 0 H1' DA A 3 5.773 -1.487 -2.804 1.00 0.00 H new ATOM 0 H8 DA A 3 3.109 -4.107 -1.763 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.853 0.670 -2.162 1.00 0.00 H new ATOM 0 H62 DA A 3 -0.710 -1.067 -1.875 1.00 0.00 H new ATOM 0 H2 DA A 3 3.262 2.221 -2.891 1.00 0.00 H new ATOM 96 P DA A 4 9.002 -2.457 0.247 1.00 0.00 P ATOM 97 OP1 DA A 4 10.452 -2.200 0.092 1.00 0.00 O ATOM 98 OP2 DA A 4 8.525 -3.389 1.295 1.00 0.00 O ATOM 99 O5' DA A 4 8.257 -1.048 0.447 1.00 0.00 O ATOM 100 C5' DA A 4 8.443 0.018 -0.463 1.00 0.00 C ATOM 101 C4' DA A 4 7.451 1.140 -0.153 1.00 0.00 C ATOM 102 O4' DA A 4 6.113 0.786 -0.460 1.00 0.00 O ATOM 103 C3' DA A 4 7.488 1.571 1.322 1.00 0.00 C ATOM 104 O3' DA A 4 8.069 2.856 1.465 1.00 0.00 O ATOM 105 C2' DA A 4 6.010 1.533 1.687 1.00 0.00 C ATOM 106 C1' DA A 4 5.303 1.606 0.353 1.00 0.00 C ATOM 107 N9 DA A 4 3.946 1.070 0.553 1.00 0.00 N ATOM 108 C8 DA A 4 3.574 -0.214 0.836 1.00 0.00 C ATOM 109 N7 DA A 4 2.289 -0.381 0.960 1.00 0.00 N ATOM 110 C5 DA A 4 1.768 0.887 0.750 1.00 0.00 C ATOM 111 C6 DA A 4 0.454 1.399 0.743 1.00 0.00 C ATOM 112 N6 DA A 4 -0.629 0.636 0.956 1.00 0.00 N ATOM 113 N1 DA A 4 0.295 2.716 0.500 1.00 0.00 N ATOM 114 C2 DA A 4 1.368 3.475 0.283 1.00 0.00 C ATOM 115 N3 DA A 4 2.646 3.115 0.262 1.00 0.00 N ATOM 116 C4 DA A 4 2.777 1.783 0.504 1.00 0.00 C ATOM 0 H5' DA A 4 8.301 -0.334 -1.485 1.00 0.00 H new ATOM 0 H5'' DA A 4 9.464 0.393 -0.395 1.00 0.00 H new ATOM 0 H4' DA A 4 7.770 1.966 -0.788 1.00 0.00 H new ATOM 0 H3' DA A 4 8.099 0.942 1.969 1.00 0.00 H new ATOM 0 H2' DA A 4 5.755 0.620 2.225 1.00 0.00 H new ATOM 0 H2'' DA A 4 5.736 2.369 2.330 1.00 0.00 H new ATOM 0 H1' DA A 4 5.183 2.596 -0.087 1.00 0.00 H new ATOM 0 H8 DA A 4 4.284 -1.020 0.947 1.00 0.00 H new ATOM 0 H61 DA A 4 -1.559 1.055 0.941 1.00 0.00 H new ATOM 0 H62 DA A 4 -0.522 -0.363 1.133 1.00 0.00 H new ATOM 0 H2 DA A 4 1.173 4.521 0.100 1.00 0.00 H new ATOM 128 P DG A 5 8.374 3.506 2.919 1.00 0.00 P ATOM 129 OP1 DG A 5 9.521 4.430 2.775 1.00 0.00 O ATOM 130 OP2 DG A 5 8.433 2.419 3.923 1.00 0.00 O ATOM 131 O5' DG A 5 7.057 4.386 3.223 1.00 0.00 O ATOM 132 C5' DG A 5 6.792 5.580 2.514 1.00 0.00 C ATOM 133 C4' DG A 5 5.455 6.170 2.963 1.00 0.00 C ATOM 134 O4' DG A 5 4.411 5.251 2.706 1.00 0.00 O ATOM 135 C3' DG A 5 5.403 6.521 4.461 1.00 0.00 C ATOM 136 O3' DG A 5 5.149 7.911 4.586 1.00 0.00 O ATOM 137 C2' DG A 5 4.258 5.645 4.972 1.00 0.00 C ATOM 138 C1' DG A 5 3.438 5.451 3.706 1.00 0.00 C ATOM 139 N9 DG A 5 2.557 4.271 3.802 1.00 0.00 N ATOM 140 C8 DG A 5 2.898 2.968 4.056 1.00 0.00 C ATOM 141 N7 DG A 5 1.887 2.151 4.076 1.00 0.00 N ATOM 142 C5 DG A 5 0.791 2.961 3.828 1.00 0.00 C ATOM 143 C6 DG A 5 -0.592 2.622 3.732 1.00 0.00 C ATOM 144 O6 DG A 5 -1.104 1.508 3.841 1.00 0.00 O ATOM 145 N1 DG A 5 -1.385 3.742 3.479 1.00 0.00 N ATOM 146 C2 DG A 5 -0.899 5.035 3.338 1.00 0.00 C ATOM 147 N2 DG A 5 -1.790 6.009 3.119 1.00 0.00 N ATOM 148 N3 DG A 5 0.402 5.345 3.427 1.00 0.00 N ATOM 149 C4 DG A 5 1.192 4.266 3.667 1.00 0.00 C ATOM 0 H5' DG A 5 6.769 5.379 1.443 1.00 0.00 H new ATOM 0 H5'' DG A 5 7.592 6.300 2.686 1.00 0.00 H new ATOM 0 H4' DG A 5 5.338 7.093 2.395 1.00 0.00 H new ATOM 0 H3' DG A 5 6.318 6.338 5.025 1.00 0.00 H new ATOM 0 H2' DG A 5 4.615 4.699 5.379 1.00 0.00 H new ATOM 0 H2'' DG A 5 3.686 6.135 5.760 1.00 0.00 H new ATOM 0 H1' DG A 5 2.780 6.298 3.510 1.00 0.00 H new ATOM 0 H8 DG A 5 3.916 2.649 4.224 1.00 0.00 H new ATOM 0 H1 DG A 5 -2.391 3.601 3.392 1.00 0.00 H new ATOM 0 H21 DG A 5 -1.475 6.973 3.010 1.00 0.00 H new ATOM 0 H22 DG A 5 -2.784 5.787 3.061 1.00 0.00 H new ATOM 161 P DA A 6 4.966 8.646 6.015 1.00 0.00 P ATOM 162 OP1 DA A 6 5.340 10.069 5.853 1.00 0.00 O ATOM 163 OP2 DA A 6 5.625 7.828 7.057 1.00 0.00 O ATOM 164 O5' DA A 6 3.371 8.567 6.245 1.00 0.00 O ATOM 165 C5' DA A 6 2.471 9.293 5.429 1.00 0.00 C ATOM 166 C4' DA A 6 1.028 8.994 5.844 1.00 0.00 C ATOM 167 O4' DA A 6 0.723 7.632 5.590 1.00 0.00 O ATOM 168 C3' DA A 6 0.788 9.246 7.342 1.00 0.00 C ATOM 169 O3' DA A 6 -0.390 10.003 7.525 1.00 0.00 O ATOM 170 C2' DA A 6 0.579 7.838 7.889 1.00 0.00 C ATOM 171 C1' DA A 6 -0.052 7.173 6.676 1.00 0.00 C ATOM 172 N9 DA A 6 -0.037 5.706 6.790 1.00 0.00 N ATOM 173 C8 DA A 6 0.981 4.815 7.018 1.00 0.00 C ATOM 174 N7 DA A 6 0.586 3.570 7.053 1.00 0.00 N ATOM 175 C5 DA A 6 -0.787 3.642 6.837 1.00 0.00 C ATOM 176 C6 DA A 6 -1.828 2.689 6.752 1.00 0.00 C ATOM 177 N6 DA A 6 -1.620 1.374 6.882 1.00 0.00 N ATOM 178 N1 DA A 6 -3.085 3.136 6.526 1.00 0.00 N ATOM 179 C2 DA A 6 -3.286 4.449 6.395 1.00 0.00 C ATOM 180 N3 DA A 6 -2.405 5.426 6.453 1.00 0.00 N ATOM 181 C4 DA A 6 -1.161 4.948 6.679 1.00 0.00 C ATOM 0 H5' DA A 6 2.620 9.026 4.383 1.00 0.00 H new ATOM 0 H5'' DA A 6 2.669 10.361 5.516 1.00 0.00 H new ATOM 0 H4' DA A 6 0.393 9.662 5.262 1.00 0.00 H new ATOM 0 H3' DA A 6 1.598 9.793 7.824 1.00 0.00 H new ATOM 0 H2' DA A 6 1.514 7.363 8.185 1.00 0.00 H new ATOM 0 H2'' DA A 6 -0.076 7.823 8.760 1.00 0.00 H new ATOM 0 HO3' DA A 6 -0.535 10.157 8.482 1.00 0.00 H new ATOM 0 H1' DA A 6 -1.106 7.426 6.562 1.00 0.00 H new ATOM 0 H8 DA A 6 2.010 5.114 7.155 1.00 0.00 H new ATOM 0 H61 DA A 6 -2.403 0.724 6.813 1.00 0.00 H new ATOM 0 H62 DA A 6 -0.678 1.021 7.050 1.00 0.00 H new ATOM 0 H2 DA A 6 -4.308 4.750 6.218 1.00 0.00 H new TER 194 DA A 6 ATOM 195 O5' DT B 7 -11.040 -1.493 7.761 1.00 0.00 O ATOM 196 C5' DT B 7 -11.139 -1.170 6.392 1.00 0.00 C ATOM 197 C4' DT B 7 -10.991 0.343 6.200 1.00 0.00 C ATOM 198 O4' DT B 7 -9.706 0.758 6.641 1.00 0.00 O ATOM 199 C3' DT B 7 -11.105 0.725 4.721 1.00 0.00 C ATOM 200 O3' DT B 7 -11.713 2.005 4.628 1.00 0.00 O ATOM 201 C2' DT B 7 -9.646 0.705 4.288 1.00 0.00 C ATOM 202 C1' DT B 7 -8.949 1.224 5.537 1.00 0.00 C ATOM 203 N1 DT B 7 -7.539 0.756 5.647 1.00 0.00 N ATOM 204 C2 DT B 7 -6.521 1.692 5.844 1.00 0.00 C ATOM 205 O2 DT B 7 -6.723 2.901 5.924 1.00 0.00 O ATOM 206 N3 DT B 7 -5.229 1.180 5.941 1.00 0.00 N ATOM 207 C4 DT B 7 -4.872 -0.162 5.860 1.00 0.00 C ATOM 208 O4 DT B 7 -3.696 -0.503 5.966 1.00 0.00 O ATOM 209 C5 DT B 7 -5.987 -1.065 5.656 1.00 0.00 C ATOM 210 C7 DT B 7 -5.723 -2.555 5.550 1.00 0.00 C ATOM 211 C6 DT B 7 -7.254 -0.587 5.559 1.00 0.00 C ATOM 0 H5' DT B 7 -12.100 -1.503 6.000 1.00 0.00 H new ATOM 0 H5'' DT B 7 -10.366 -1.694 5.829 1.00 0.00 H new ATOM 0 H4' DT B 7 -11.784 0.825 6.772 1.00 0.00 H new ATOM 0 H3' DT B 7 -11.719 0.077 4.096 1.00 0.00 H new ATOM 0 H2' DT B 7 -9.312 -0.297 4.019 1.00 0.00 H new ATOM 0 H2'' DT B 7 -9.466 1.344 3.423 1.00 0.00 H new ATOM 0 HO5' DT B 7 -11.137 -2.461 7.876 1.00 0.00 H new ATOM 0 H1' DT B 7 -8.899 2.312 5.502 1.00 0.00 H new ATOM 0 H3 DT B 7 -4.475 1.852 6.085 1.00 0.00 H new ATOM 0 H71 DT B 7 -6.586 -3.105 5.924 1.00 0.00 H new ATOM 0 H72 DT B 7 -5.548 -2.820 4.507 1.00 0.00 H new ATOM 0 H73 DT B 7 -4.845 -2.812 6.142 1.00 0.00 H new ATOM 0 H6 DT B 7 -8.065 -1.284 5.408 1.00 0.00 H new ATOM 225 P DC B 8 -12.117 2.673 3.213 1.00 0.00 P ATOM 226 OP1 DC B 8 -13.299 3.538 3.432 1.00 0.00 O ATOM 227 OP2 DC B 8 -12.164 1.613 2.181 1.00 0.00 O ATOM 228 O5' DC B 8 -10.850 3.616 2.903 1.00 0.00 O ATOM 229 C5' DC B 8 -10.700 4.884 3.513 1.00 0.00 C ATOM 230 C4' DC B 8 -9.345 5.477 3.122 1.00 0.00 C ATOM 231 O4' DC B 8 -8.308 4.647 3.593 1.00 0.00 O ATOM 232 C3' DC B 8 -9.151 5.600 1.605 1.00 0.00 C ATOM 233 O3' DC B 8 -9.428 6.933 1.200 1.00 0.00 O ATOM 234 C2' DC B 8 -7.684 5.196 1.411 1.00 0.00 C ATOM 235 C1' DC B 8 -7.165 4.930 2.818 1.00 0.00 C ATOM 236 N1 DC B 8 -6.268 3.749 2.831 1.00 0.00 N ATOM 237 C2 DC B 8 -4.942 3.885 3.238 1.00 0.00 C ATOM 238 O2 DC B 8 -4.487 4.984 3.535 1.00 0.00 O ATOM 239 N3 DC B 8 -4.155 2.771 3.243 1.00 0.00 N ATOM 240 C4 DC B 8 -4.630 1.571 2.874 1.00 0.00 C ATOM 241 N4 DC B 8 -3.804 0.515 2.905 1.00 0.00 N ATOM 242 C5 DC B 8 -5.998 1.416 2.447 1.00 0.00 C ATOM 243 C6 DC B 8 -6.766 2.533 2.446 1.00 0.00 C ATOM 0 H5' DC B 8 -10.769 4.789 4.597 1.00 0.00 H new ATOM 0 H5'' DC B 8 -11.505 5.549 3.199 1.00 0.00 H new ATOM 0 H4' DC B 8 -9.319 6.473 3.565 1.00 0.00 H new ATOM 0 H3' DC B 8 -9.814 4.979 1.002 1.00 0.00 H new ATOM 0 H2' DC B 8 -7.598 4.309 0.783 1.00 0.00 H new ATOM 0 H2'' DC B 8 -7.117 5.989 0.923 1.00 0.00 H new ATOM 0 H1' DC B 8 -6.599 5.781 3.196 1.00 0.00 H new ATOM 0 H41 DC B 8 -4.144 -0.406 2.629 1.00 0.00 H new ATOM 0 H42 DC B 8 -2.836 0.633 3.205 1.00 0.00 H new ATOM 0 H5 DC B 8 -6.392 0.457 2.143 1.00 0.00 H new ATOM 0 H6 DC B 8 -7.797 2.462 2.133 1.00 0.00 H new ATOM 255 P DT B 9 -9.360 7.417 -0.346 1.00 0.00 P ATOM 256 OP1 DT B 9 -10.079 8.706 -0.452 1.00 0.00 O ATOM 257 OP2 DT B 9 -9.760 6.282 -1.209 1.00 0.00 O ATOM 258 O5' DT B 9 -7.788 7.701 -0.590 1.00 0.00 O ATOM 259 C5' DT B 9 -7.107 8.742 0.085 1.00 0.00 C ATOM 260 C4' DT B 9 -5.596 8.597 -0.118 1.00 0.00 C ATOM 261 O4' DT B 9 -5.146 7.356 0.394 1.00 0.00 O ATOM 262 C3' DT B 9 -5.172 8.667 -1.592 1.00 0.00 C ATOM 263 O3' DT B 9 -4.509 9.901 -1.825 1.00 0.00 O ATOM 264 C2' DT B 9 -4.277 7.444 -1.748 1.00 0.00 C ATOM 265 C1' DT B 9 -3.993 6.984 -0.326 1.00 0.00 C ATOM 266 N1 DT B 9 -3.796 5.510 -0.314 1.00 0.00 N ATOM 267 C2 DT B 9 -2.547 4.988 0.020 1.00 0.00 C ATOM 268 O2 DT B 9 -1.564 5.689 0.251 1.00 0.00 O ATOM 269 N3 DT B 9 -2.443 3.602 0.009 1.00 0.00 N ATOM 270 C4 DT B 9 -3.459 2.703 -0.304 1.00 0.00 C ATOM 271 O4 DT B 9 -3.257 1.492 -0.246 1.00 0.00 O ATOM 272 C5 DT B 9 -4.721 3.332 -0.650 1.00 0.00 C ATOM 273 C7 DT B 9 -5.918 2.483 -1.029 1.00 0.00 C ATOM 274 C6 DT B 9 -4.841 4.681 -0.639 1.00 0.00 C ATOM 0 H5' DT B 9 -7.344 8.713 1.149 1.00 0.00 H new ATOM 0 H5'' DT B 9 -7.441 9.709 -0.290 1.00 0.00 H new ATOM 0 H4' DT B 9 -5.148 9.437 0.413 1.00 0.00 H new ATOM 0 H3' DT B 9 -5.986 8.645 -2.317 1.00 0.00 H new ATOM 0 H2' DT B 9 -4.772 6.663 -2.325 1.00 0.00 H new ATOM 0 H2'' DT B 9 -3.356 7.693 -2.274 1.00 0.00 H new ATOM 0 H1' DT B 9 -3.092 7.423 0.103 1.00 0.00 H new ATOM 0 H3 DT B 9 -1.536 3.206 0.254 1.00 0.00 H new ATOM 0 H71 DT B 9 -6.835 2.998 -0.743 1.00 0.00 H new ATOM 0 H72 DT B 9 -5.918 2.314 -2.106 1.00 0.00 H new ATOM 0 H73 DT B 9 -5.863 1.525 -0.511 1.00 0.00 H 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0.655 4.558 -9.154 1.00 0.00 H new ATOM 0 H6 DT B 12 4.173 4.045 -10.011 1.00 0.00 H new TER 382 DT B 12 ATOM 383 O5' DT C 13 -11.861 -1.398 -7.427 1.00 0.00 O ATOM 384 C5' DT C 13 -10.516 -1.343 -7.849 1.00 0.00 C ATOM 385 C4' DT C 13 -9.766 -2.599 -7.389 1.00 0.00 C ATOM 386 O4' DT C 13 -8.441 -2.565 -7.898 1.00 0.00 O ATOM 387 C3' DT C 13 -9.654 -2.677 -5.862 1.00 0.00 C ATOM 388 O3' DT C 13 -9.735 -4.037 -5.468 1.00 0.00 O ATOM 389 C2' DT C 13 -8.311 -2.041 -5.616 1.00 0.00 C ATOM 390 C1' DT C 13 -7.530 -2.577 -6.813 1.00 0.00 C ATOM 391 N1 DT C 13 -6.369 -1.704 -7.106 1.00 0.00 N ATOM 392 C2 DT C 13 -5.092 -2.260 -7.178 1.00 0.00 C ATOM 393 O2 DT C 13 -4.873 -3.461 -7.032 1.00 0.00 O ATOM 394 N3 DT C 13 -4.055 -1.372 -7.450 1.00 0.00 N ATOM 395 C4 DT C 13 -4.190 0.000 -7.648 1.00 0.00 C ATOM 396 O4 DT C 13 -3.200 0.701 -7.845 1.00 0.00 O ATOM 397 C5 DT C 13 -5.555 0.489 -7.563 1.00 0.00 C ATOM 398 C7 DT C 13 -5.834 1.963 -7.763 1.00 0.00 C ATOM 399 C6 DT C 13 -6.577 -0.361 -7.297 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14 -5.803 -5.884 -2.072 1.00 0.00 H new ATOM 0 H2'' DC C 14 -4.788 -7.312 -2.056 1.00 0.00 H new ATOM 0 H1' DC C 14 -4.217 -7.116 -4.293 1.00 0.00 H new ATOM 0 H41 DC C 14 -3.525 -0.463 -4.208 1.00 0.00 H new ATOM 0 H42 DC C 14 -1.934 -1.141 -4.569 1.00 0.00 H new ATOM 0 H5 DC C 14 -5.481 -1.849 -3.806 1.00 0.00 H new ATOM 0 H6 DC C 14 -6.322 -4.140 -3.683 1.00 0.00 H new ATOM 443 P DT C 15 -6.303 -9.782 -1.355 1.00 0.00 P ATOM 444 OP1 DT C 15 -6.418 -11.240 -1.574 1.00 0.00 O ATOM 445 OP2 DT C 15 -7.185 -9.119 -0.367 1.00 0.00 O ATOM 446 O5' DT C 15 -4.775 -9.454 -0.956 1.00 0.00 O ATOM 447 C5' DT C 15 -3.684 -10.112 -1.572 1.00 0.00 C ATOM 448 C4' DT C 15 -2.382 -9.354 -1.295 1.00 0.00 C ATOM 449 O4' DT C 15 -2.354 -8.108 -1.973 1.00 0.00 O ATOM 450 C3' DT C 15 -2.151 -9.030 0.187 1.00 0.00 C ATOM 451 O3' DT C 15 -1.460 -10.077 0.858 1.00 0.00 O ATOM 452 C2' DT C 15 -1.266 -7.808 0.044 1.00 0.00 C ATOM 453 C1' DT C 15 -1.312 -7.344 -1.395 1.00 0.00 C ATOM 454 N1 DT C 15 -1.606 -5.884 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new ATOM 0 H73 DT C 15 -4.807 -2.765 -0.899 1.00 0.00 H new ATOM 0 H6 DT C 15 -3.576 -6.166 -0.629 1.00 0.00 H new ATOM 475 P DT C 16 -0.982 -9.973 2.413 1.00 0.00 P ATOM 476 OP1 DT C 16 -0.549 -11.323 2.836 1.00 0.00 O ATOM 477 OP2 DT C 16 -2.058 -9.290 3.166 1.00 0.00 O ATOM 478 O5' DT C 16 0.325 -9.005 2.447 1.00 0.00 O ATOM 479 C5' DT C 16 1.579 -9.384 1.894 1.00 0.00 C ATOM 480 C4' DT C 16 2.585 -8.220 1.973 1.00 0.00 C ATOM 481 O4' DT C 16 2.036 -7.076 1.347 1.00 0.00 O ATOM 482 C3' DT C 16 2.957 -7.826 3.410 1.00 0.00 C ATOM 483 O3' DT C 16 4.290 -8.222 3.708 1.00 0.00 O ATOM 484 C2' DT C 16 2.804 -6.303 3.425 1.00 0.00 C ATOM 485 C1' DT C 16 2.514 -5.904 1.982 1.00 0.00 C ATOM 486 N1 DT C 16 1.439 -4.881 1.915 1.00 0.00 N ATOM 487 C2 DT C 16 1.703 -3.627 1.382 1.00 0.00 C ATOM 488 O2 DT C 16 2.823 -3.286 1.012 1.00 0.00 O ATOM 489 N3 DT C 16 0.627 -2.745 1.342 1.00 0.00 N ATOM 490 C4 DT C 16 -0.677 -3.014 1.775 1.00 0.00 C ATOM 491 O4 DT C 16 -1.545 -2.147 1.692 1.00 0.00 O ATOM 492 C5 DT C 16 -0.860 -4.350 2.331 1.00 0.00 C ATOM 493 C7 DT C 16 -2.219 -4.827 2.844 1.00 0.00 C ATOM 494 C6 DT C 16 0.192 -5.205 2.369 1.00 0.00 C ATOM 0 H5' DT C 16 1.447 -9.687 0.855 1.00 0.00 H new ATOM 0 H5'' DT C 16 1.972 -10.248 2.430 1.00 0.00 H new ATOM 0 H4' DT C 16 3.488 -8.570 1.473 1.00 0.00 H new ATOM 0 H3' DT C 16 2.332 -8.309 4.162 1.00 0.00 H new ATOM 0 H2' DT C 16 1.993 -5.997 4.086 1.00 0.00 H new ATOM 0 H2'' DT C 16 3.711 -5.822 3.790 1.00 0.00 H new ATOM 0 H1' DT C 16 3.409 -5.492 1.517 1.00 0.00 H new ATOM 0 H3 DT C 16 0.805 -1.816 0.962 1.00 0.00 H new ATOM 0 H71 DT C 16 -2.299 -5.906 2.713 1.00 0.00 H new ATOM 0 H72 DT C 16 -2.315 -4.582 3.902 1.00 0.00 H new ATOM 0 H73 DT C 16 -3.013 -4.333 2.284 1.00 0.00 H new ATOM 0 H6 DT C 16 0.036 -6.192 2.779 1.00 0.00 H new ATOM 507 P DC C 17 4.952 -8.042 5.182 1.00 0.00 P ATOM 508 OP1 DC C 17 6.186 -8.858 5.226 1.00 0.00 O ATOM 509 OP2 DC C 17 3.895 -8.269 6.192 1.00 0.00 O ATOM 510 O5' DC C 17 5.384 -6.483 5.260 1.00 0.00 O ATOM 511 C5' DC C 17 6.473 -5.970 4.513 1.00 0.00 C ATOM 512 C4' DC C 17 6.508 -4.438 4.572 1.00 0.00 C ATOM 513 O4' DC C 17 5.395 -3.860 3.910 1.00 0.00 O ATOM 514 C3' DC C 17 6.551 -3.867 5.998 1.00 0.00 C ATOM 515 O3' DC C 17 7.895 -3.558 6.337 1.00 0.00 O ATOM 516 C2' DC C 17 5.653 -2.651 5.864 1.00 0.00 C ATOM 517 C1' DC C 17 5.210 -2.547 4.412 1.00 0.00 C ATOM 518 N1 DC C 17 3.765 -2.188 4.445 1.00 0.00 N ATOM 519 C2 DC C 17 3.303 -0.931 4.065 1.00 0.00 C ATOM 520 O2 DC C 17 4.085 -0.043 3.746 1.00 0.00 O ATOM 521 N3 DC C 17 1.956 -0.696 4.134 1.00 0.00 N ATOM 522 C4 DC C 17 1.083 -1.631 4.553 1.00 0.00 C ATOM 523 N4 DC C 17 -0.223 -1.324 4.593 1.00 0.00 N ATOM 524 C5 DC C 17 1.562 -2.927 4.959 1.00 0.00 C ATOM 525 C6 DC C 17 2.879 -3.126 4.877 1.00 0.00 C ATOM 0 H5' DC C 17 6.392 -6.296 3.476 1.00 0.00 H new ATOM 0 H5'' DC C 17 7.408 -6.374 4.902 1.00 0.00 H new ATOM 0 H4' DC C 17 7.438 -4.176 4.068 1.00 0.00 H new ATOM 0 H3' DC C 17 6.216 -4.531 6.795 1.00 0.00 H new ATOM 0 H2' DC C 17 4.787 -2.743 6.520 1.00 0.00 H new ATOM 0 H2'' DC C 17 6.186 -1.749 6.165 1.00 0.00 H new ATOM 0 H1' DC C 17 5.744 -1.814 3.807 1.00 0.00 H new ATOM 0 H41 DC C 17 -0.901 -2.018 4.907 1.00 0.00 H new ATOM 0 H42 DC C 17 -0.538 -0.396 4.309 1.00 0.00 H new ATOM 0 H5 DC C 17 0.891 -3.697 5.311 1.00 0.00 H new ATOM 0 H6 DC C 17 3.265 -4.091 5.172 1.00 0.00 H new ATOM 537 P DT C 18 8.345 -3.115 7.828 1.00 0.00 P ATOM 538 OP1 DT C 18 9.823 -3.171 7.891 1.00 0.00 O ATOM 539 OP2 DT C 18 7.544 -3.882 8.808 1.00 0.00 O ATOM 540 O5' DT C 18 7.902 -1.567 7.927 1.00 0.00 O ATOM 541 C5' DT C 18 8.537 -0.557 7.164 1.00 0.00 C ATOM 542 C4' DT C 18 7.853 0.790 7.421 1.00 0.00 C ATOM 543 O4' DT C 18 6.501 0.720 6.991 1.00 0.00 O ATOM 544 C3' DT C 18 7.846 1.150 8.914 1.00 0.00 C ATOM 545 O3' DT C 18 8.085 2.534 9.083 1.00 0.00 O ATOM 546 C2' DT C 18 6.418 0.817 9.329 1.00 0.00 C ATOM 547 C1' DT C 18 5.677 1.180 8.042 1.00 0.00 C ATOM 548 N1 DT C 18 4.285 0.648 7.936 1.00 0.00 N ATOM 549 C2 DT C 18 3.306 1.521 7.452 1.00 0.00 C ATOM 550 O2 DT C 18 3.547 2.674 7.098 1.00 0.00 O ATOM 551 N3 DT C 18 2.014 1.022 7.366 1.00 0.00 N ATOM 552 C4 DT C 18 1.608 -0.258 7.724 1.00 0.00 C ATOM 553 O4 DT C 18 0.431 -0.589 7.611 1.00 0.00 O ATOM 554 C5 DT C 18 2.677 -1.110 8.213 1.00 0.00 C ATOM 555 C7 DT C 18 2.333 -2.526 8.642 1.00 0.00 C ATOM 556 C6 DT C 18 3.954 -0.644 8.304 1.00 0.00 C ATOM 0 H5' DT C 18 8.489 -0.804 6.103 1.00 0.00 H new ATOM 0 H5'' DT C 18 9.592 -0.497 7.429 1.00 0.00 H new ATOM 0 H4' DT C 18 8.411 1.549 6.872 1.00 0.00 H new ATOM 0 H3' DT C 18 8.607 0.626 9.492 1.00 0.00 H new ATOM 0 H2' DT C 18 6.296 -0.232 9.598 1.00 0.00 H new ATOM 0 H2'' DT C 18 6.084 1.406 10.183 1.00 0.00 H new ATOM 0 HO3' DT C 18 8.077 2.753 10.038 1.00 0.00 H new ATOM 0 H1' DT C 18 5.517 2.258 8.011 1.00 0.00 H new ATOM 0 H3 DT C 18 1.297 1.652 7.007 1.00 0.00 H new ATOM 0 H71 DT C 18 3.191 -3.176 8.471 1.00 0.00 H new ATOM 0 H72 DT C 18 2.077 -2.533 9.702 1.00 0.00 H new ATOM 0 H73 DT C 18 1.484 -2.886 8.061 1.00 0.00 H new ATOM 0 H6 DT C 18 4.728 -1.300 8.673 1.00 0.00 H new TER 570 DT C 18