USER MOD reduce.3.24.130724 H: found=0, std=0, add=160, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 158 hydrogens (22 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 DC O5' : rot 180:sc= 0 USER MOD Single : A 4 DT C7 :methyl -30:sc= 0 (180deg=-0.00577) USER MOD Single : A 6 DG O3' : rot 180:sc= 0 USER MOD Single : A 7 PPZ O8 : rot -130:sc= 0.566 USER MOD Single : B 1 DC O5' : rot 12:sc= 1.98 USER MOD Single : B 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : B 6 DG O3' : rot 180:sc= 0 USER MOD Single : B 7 PPZ O8 : rot -120:sc= 0.636 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DC A 1 -7.919 -3.714 -10.127 1.00 0.00 O ATOM 2 C5' DC A 1 -8.291 -2.715 -9.197 1.00 0.00 C ATOM 3 C4' DC A 1 -9.546 -3.080 -8.401 1.00 0.00 C ATOM 4 O4' DC A 1 -9.255 -4.106 -7.466 1.00 0.00 O ATOM 5 C3' DC A 1 -9.935 -1.854 -7.586 1.00 0.00 C ATOM 6 O3' DC A 1 -11.270 -1.980 -7.152 1.00 0.00 O ATOM 7 C2' DC A 1 -8.946 -2.014 -6.442 1.00 0.00 C ATOM 8 C1' DC A 1 -8.971 -3.529 -6.204 1.00 0.00 C ATOM 9 N1 DC A 1 -7.675 -4.039 -5.696 1.00 0.00 N ATOM 10 C2 DC A 1 -7.604 -5.331 -5.178 1.00 0.00 C ATOM 11 O2 DC A 1 -8.604 -6.040 -5.075 1.00 0.00 O ATOM 12 N3 DC A 1 -6.401 -5.804 -4.733 1.00 0.00 N ATOM 13 C4 DC A 1 -5.308 -5.033 -4.794 1.00 0.00 C ATOM 14 N4 DC A 1 -4.180 -5.461 -4.237 1.00 0.00 N ATOM 15 C5 DC A 1 -5.369 -3.698 -5.283 1.00 0.00 C ATOM 16 C6 DC A 1 -6.562 -3.249 -5.723 1.00 0.00 C ATOM 0 H5' DC A 1 -8.463 -1.778 -9.727 1.00 0.00 H new ATOM 0 H5'' DC A 1 -7.466 -2.544 -8.506 1.00 0.00 H new ATOM 0 H4' DC A 1 -10.328 -3.406 -9.086 1.00 0.00 H new ATOM 0 H3' DC A 1 -9.895 -0.890 -8.092 1.00 0.00 H new ATOM 0 H2' DC A 1 -7.951 -1.660 -6.711 1.00 0.00 H new ATOM 0 H2'' DC A 1 -9.253 -1.457 -5.557 1.00 0.00 H new ATOM 0 HO5' DC A 1 -7.114 -3.430 -10.608 1.00 0.00 H new ATOM 0 H1' DC A 1 -9.713 -3.783 -5.447 1.00 0.00 H new ATOM 0 H41 DC A 1 -3.340 -4.883 -4.277 1.00 0.00 H new ATOM 0 H42 DC A 1 -4.154 -6.367 -3.770 1.00 0.00 H new ATOM 0 H5 DC A 1 -4.492 -3.068 -5.301 1.00 0.00 H new ATOM 0 H6 DC A 1 -6.639 -2.242 -6.105 1.00 0.00 H new ATOM 29 P DG A 2 -12.125 -0.691 -6.702 1.00 0.00 P ATOM 30 OP1 DG A 2 -13.417 -1.165 -6.159 1.00 0.00 O ATOM 31 OP2 DG A 2 -12.106 0.280 -7.819 1.00 0.00 O ATOM 32 O5' DG A 2 -11.263 -0.083 -5.492 1.00 0.00 O ATOM 33 C5' DG A 2 -10.436 1.038 -5.711 1.00 0.00 C ATOM 34 C4' DG A 2 -9.568 1.290 -4.485 1.00 0.00 C ATOM 35 O4' DG A 2 -8.568 0.301 -4.370 1.00 0.00 O ATOM 36 C3' DG A 2 -8.828 2.620 -4.593 1.00 0.00 C ATOM 37 O3' DG A 2 -9.509 3.595 -3.836 1.00 0.00 O ATOM 38 C2' DG A 2 -7.446 2.312 -4.026 1.00 0.00 C ATOM 39 C1' DG A 2 -7.551 0.865 -3.571 1.00 0.00 C ATOM 40 N9 DG A 2 -6.290 0.143 -3.802 1.00 0.00 N ATOM 41 C8 DG A 2 -5.657 -0.108 -4.989 1.00 0.00 C ATOM 42 N7 DG A 2 -4.611 -0.880 -4.884 1.00 0.00 N ATOM 43 C5 DG A 2 -4.552 -1.173 -3.522 1.00 0.00 C ATOM 44 C6 DG A 2 -3.699 -2.057 -2.791 1.00 0.00 C ATOM 45 O6 DG A 2 -2.855 -2.843 -3.225 1.00 0.00 O ATOM 46 N1 DG A 2 -3.932 -2.003 -1.426 1.00 0.00 N ATOM 47 C2 DG A 2 -4.971 -1.316 -0.840 1.00 0.00 C ATOM 48 N2 DG A 2 -5.114 -1.369 0.478 1.00 0.00 N ATOM 49 N3 DG A 2 -5.830 -0.558 -1.524 1.00 0.00 N ATOM 50 C4 DG A 2 -5.563 -0.526 -2.854 1.00 0.00 C ATOM 0 H5' DG A 2 -11.047 1.916 -5.921 1.00 0.00 H new ATOM 0 H5'' DG A 2 -9.806 0.871 -6.585 1.00 0.00 H new ATOM 0 H4' DG A 2 -10.241 1.284 -3.628 1.00 0.00 H new ATOM 0 H3' DG A 2 -8.764 3.015 -5.607 1.00 0.00 H new ATOM 0 H2' DG A 2 -6.668 2.438 -4.779 1.00 0.00 H new ATOM 0 H2'' DG A 2 -7.198 2.974 -3.197 1.00 0.00 H new ATOM 0 H1' DG A 2 -7.765 0.801 -2.504 1.00 0.00 H new ATOM 0 H8 DG A 2 -5.994 0.298 -5.931 1.00 0.00 H new ATOM 0 H1 DG A 2 -3.290 -2.507 -0.814 1.00 0.00 H new ATOM 0 H21 DG A 2 -5.878 -0.866 0.929 1.00 0.00 H new ATOM 0 H22 DG A 2 -4.460 -1.913 1.040 1.00 0.00 H new ATOM 62 P DA A 3 -8.875 5.051 -3.581 1.00 0.00 P ATOM 63 OP1 DA A 3 -9.968 5.981 -3.221 1.00 0.00 O ATOM 64 OP2 DA A 3 -7.965 5.372 -4.703 1.00 0.00 O ATOM 65 O5' DA A 3 -7.992 4.776 -2.266 1.00 0.00 O ATOM 66 C5' DA A 3 -8.638 4.465 -1.049 1.00 0.00 C ATOM 67 C4' DA A 3 -7.627 4.323 0.087 1.00 0.00 C ATOM 68 O4' DA A 3 -6.823 3.168 -0.095 1.00 0.00 O ATOM 69 C3' DA A 3 -6.722 5.548 0.148 1.00 0.00 C ATOM 70 O3' DA A 3 -6.858 6.132 1.425 1.00 0.00 O ATOM 71 C2' DA A 3 -5.341 4.966 -0.121 1.00 0.00 C ATOM 72 C1' DA A 3 -5.470 3.479 0.182 1.00 0.00 C ATOM 73 N9 DA A 3 -4.633 2.747 -0.785 1.00 0.00 N ATOM 74 C8 DA A 3 -4.618 2.933 -2.141 1.00 0.00 C ATOM 75 N7 DA A 3 -3.707 2.248 -2.772 1.00 0.00 N ATOM 76 C5 DA A 3 -3.100 1.523 -1.752 1.00 0.00 C ATOM 77 C6 DA A 3 -2.028 0.617 -1.732 1.00 0.00 C ATOM 78 N6 DA A 3 -1.316 0.307 -2.808 1.00 0.00 N ATOM 79 N1 DA A 3 -1.710 -0.009 -0.590 1.00 0.00 N ATOM 80 C2 DA A 3 -2.394 0.294 0.510 1.00 0.00 C ATOM 81 N3 DA A 3 -3.369 1.190 0.645 1.00 0.00 N ATOM 82 C4 DA A 3 -3.688 1.776 -0.540 1.00 0.00 C ATOM 0 H5' DA A 3 -9.200 3.538 -1.158 1.00 0.00 H new ATOM 0 H5'' DA A 3 -9.357 5.247 -0.805 1.00 0.00 H new ATOM 0 H4' DA A 3 -8.185 4.230 1.019 1.00 0.00 H new ATOM 0 H3' DA A 3 -6.946 6.344 -0.562 1.00 0.00 H new ATOM 0 H2' DA A 3 -5.038 5.133 -1.155 1.00 0.00 H new ATOM 0 H2'' DA A 3 -4.586 5.433 0.512 1.00 0.00 H new ATOM 0 H1' DA A 3 -5.176 3.227 1.201 1.00 0.00 H new ATOM 0 H8 DA A 3 -5.306 3.594 -2.647 1.00 0.00 H new ATOM 0 H61 DA A 3 -0.547 -0.359 -2.736 1.00 0.00 H new ATOM 0 H62 DA A 3 -1.538 0.734 -3.707 1.00 0.00 H new ATOM 0 H2 DA A 3 -2.126 -0.253 1.402 1.00 0.00 H new ATOM 94 P DT A 4 -5.811 7.216 1.987 1.00 0.00 P ATOM 95 OP1 DT A 4 -6.471 8.009 3.047 1.00 0.00 O ATOM 96 OP2 DT A 4 -5.143 7.887 0.850 1.00 0.00 O ATOM 97 O5' DT A 4 -4.775 6.208 2.677 1.00 0.00 O ATOM 98 C5' DT A 4 -5.265 5.289 3.630 1.00 0.00 C ATOM 99 C4' DT A 4 -4.195 4.275 4.017 1.00 0.00 C ATOM 100 O4' DT A 4 -3.686 3.651 2.848 1.00 0.00 O ATOM 101 C3' DT A 4 -3.035 4.966 4.726 1.00 0.00 C ATOM 102 O3' DT A 4 -2.628 4.159 5.809 1.00 0.00 O ATOM 103 C2' DT A 4 -1.987 4.987 3.631 1.00 0.00 C ATOM 104 C1' DT A 4 -2.277 3.669 2.941 1.00 0.00 C ATOM 105 N1 DT A 4 -1.648 3.675 1.611 1.00 0.00 N ATOM 106 C2 DT A 4 -0.689 2.711 1.335 1.00 0.00 C ATOM 107 O2 DT A 4 -0.315 1.892 2.169 1.00 0.00 O ATOM 108 N3 DT A 4 -0.167 2.722 0.055 1.00 0.00 N ATOM 109 C4 DT A 4 -0.486 3.630 -0.935 1.00 0.00 C ATOM 110 O4 DT A 4 0.036 3.548 -2.041 1.00 0.00 O ATOM 111 C5 DT A 4 -1.460 4.632 -0.547 1.00 0.00 C ATOM 112 C7 DT A 4 -1.875 5.695 -1.535 1.00 0.00 C ATOM 113 C6 DT A 4 -2.002 4.624 0.692 1.00 0.00 C ATOM 0 H5' DT A 4 -6.133 4.769 3.225 1.00 0.00 H new ATOM 0 H5'' DT A 4 -5.600 5.825 4.518 1.00 0.00 H new ATOM 0 H4' DT A 4 -4.647 3.539 4.681 1.00 0.00 H new ATOM 0 H3' DT A 4 -3.249 5.953 5.136 1.00 0.00 H new ATOM 0 H2' DT A 4 -2.105 5.839 2.962 1.00 0.00 H new ATOM 0 H2'' DT A 4 -0.973 5.032 4.029 1.00 0.00 H new ATOM 0 H1' DT A 4 -1.892 2.794 3.464 1.00 0.00 H new ATOM 0 H3 DT A 4 0.512 1.997 -0.178 1.00 0.00 H new ATOM 0 H71 DT A 4 -1.047 5.905 -2.213 1.00 0.00 H new ATOM 0 H72 DT A 4 -2.733 5.344 -2.108 1.00 0.00 H new ATOM 0 H73 DT A 4 -2.144 6.605 -0.999 1.00 0.00 H new ATOM 0 H6 DT A 4 -2.726 5.379 0.960 1.00 0.00 H new ATOM 126 P DC A 5 -1.448 4.615 6.803 1.00 0.00 P ATOM 127 OP1 DC A 5 -1.891 4.370 8.192 1.00 0.00 O ATOM 128 OP2 DC A 5 -0.975 5.958 6.399 1.00 0.00 O ATOM 129 O5' DC A 5 -0.286 3.560 6.456 1.00 0.00 O ATOM 130 C5' DC A 5 -0.525 2.180 6.633 1.00 0.00 C ATOM 131 C4' DC A 5 0.763 1.362 6.766 1.00 0.00 C ATOM 132 O4' DC A 5 1.479 1.260 5.550 1.00 0.00 O ATOM 133 C3' DC A 5 1.725 1.990 7.759 1.00 0.00 C ATOM 134 O3' DC A 5 2.515 0.944 8.278 1.00 0.00 O ATOM 135 C2' DC A 5 2.507 2.947 6.864 1.00 0.00 C ATOM 136 C1' DC A 5 2.520 2.223 5.517 1.00 0.00 C ATOM 137 N1 DC A 5 2.280 3.084 4.335 1.00 0.00 N ATOM 138 C2 DC A 5 2.651 2.571 3.101 1.00 0.00 C ATOM 139 O2 DC A 5 3.210 1.480 2.999 1.00 0.00 O ATOM 140 N3 DC A 5 2.472 3.332 1.985 1.00 0.00 N ATOM 141 C4 DC A 5 1.881 4.524 2.071 1.00 0.00 C ATOM 142 N4 DC A 5 1.740 5.218 0.947 1.00 0.00 N ATOM 143 C5 DC A 5 1.376 5.028 3.311 1.00 0.00 C ATOM 144 C6 DC A 5 1.612 4.278 4.416 1.00 0.00 C ATOM 0 H5' DC A 5 -1.101 1.805 5.787 1.00 0.00 H new ATOM 0 H5'' DC A 5 -1.135 2.034 7.524 1.00 0.00 H new ATOM 0 H4' DC A 5 0.427 0.378 7.094 1.00 0.00 H new ATOM 0 H3' DC A 5 1.294 2.509 8.615 1.00 0.00 H new ATOM 0 H2' DC A 5 2.023 3.921 6.794 1.00 0.00 H new ATOM 0 H2'' DC A 5 3.516 3.118 7.240 1.00 0.00 H new ATOM 0 H1' DC A 5 3.521 1.807 5.399 1.00 0.00 H new ATOM 0 H41 DC A 5 1.293 6.135 0.966 1.00 0.00 H new ATOM 0 H42 DC A 5 2.078 4.834 0.065 1.00 0.00 H new ATOM 0 H5 DC A 5 0.833 5.960 3.365 1.00 0.00 H new ATOM 0 H6 DC A 5 1.267 4.628 5.378 1.00 0.00 H new ATOM 156 P DG A 6 3.601 1.209 9.425 1.00 0.00 P ATOM 157 OP1 DG A 6 3.947 -0.084 10.055 1.00 0.00 O ATOM 158 OP2 DG A 6 3.137 2.342 10.256 1.00 0.00 O ATOM 159 O5' DG A 6 4.847 1.694 8.545 1.00 0.00 O ATOM 160 C5' DG A 6 5.558 0.770 7.745 1.00 0.00 C ATOM 161 C4' DG A 6 6.740 1.470 7.078 1.00 0.00 C ATOM 162 O4' DG A 6 6.278 2.338 6.051 1.00 0.00 O ATOM 163 C3' DG A 6 7.447 2.341 8.116 1.00 0.00 C ATOM 164 O3' DG A 6 8.844 2.324 7.916 1.00 0.00 O ATOM 165 C2' DG A 6 6.894 3.692 7.727 1.00 0.00 C ATOM 166 C1' DG A 6 6.947 3.563 6.253 1.00 0.00 C ATOM 167 N9 DG A 6 6.253 4.712 5.675 1.00 0.00 N ATOM 168 C8 DG A 6 5.012 5.119 6.031 1.00 0.00 C ATOM 169 N7 DG A 6 4.504 6.041 5.264 1.00 0.00 N ATOM 170 C5 DG A 6 5.548 6.322 4.381 1.00 0.00 C ATOM 171 C6 DG A 6 5.602 7.196 3.255 1.00 0.00 C ATOM 172 O6 DG A 6 4.693 7.850 2.748 1.00 0.00 O ATOM 173 N1 DG A 6 6.855 7.231 2.668 1.00 0.00 N ATOM 174 C2 DG A 6 7.952 6.553 3.135 1.00 0.00 C ATOM 175 N2 DG A 6 9.122 6.831 2.569 1.00 0.00 N ATOM 176 N3 DG A 6 7.903 5.672 4.142 1.00 0.00 N ATOM 177 C4 DG A 6 6.667 5.588 4.704 1.00 0.00 C ATOM 0 H5' DG A 6 4.898 0.347 6.987 1.00 0.00 H new ATOM 0 H5'' DG A 6 5.912 -0.059 8.358 1.00 0.00 H new ATOM 0 H4' DG A 6 7.407 0.713 6.665 1.00 0.00 H new ATOM 0 H3' DG A 6 7.292 2.041 9.152 1.00 0.00 H new ATOM 0 H2' DG A 6 5.881 3.852 8.097 1.00 0.00 H new ATOM 0 H2'' DG A 6 7.503 4.516 8.097 1.00 0.00 H new ATOM 0 HO3' DG A 6 9.278 2.889 8.589 1.00 0.00 H new ATOM 0 H1' DG A 6 7.936 3.558 5.794 1.00 0.00 H new ATOM 0 H8 DG A 6 4.486 4.712 6.882 1.00 0.00 H new ATOM 0 H1 DG A 6 6.971 7.801 1.830 1.00 0.00 H new ATOM 0 H21 DG A 6 9.967 6.353 2.882 1.00 0.00 H new ATOM 0 H22 DG A 6 9.175 7.523 1.821 1.00 0.00 H new TER 189 DG A 6 ATOM 190 O5' DC B 1 7.393 8.327 -3.917 1.00 0.00 O ATOM 191 C5' DC B 1 8.534 8.341 -4.745 1.00 0.00 C ATOM 192 C4' DC B 1 9.361 7.078 -4.511 1.00 0.00 C ATOM 193 O4' DC B 1 9.810 7.011 -3.168 1.00 0.00 O ATOM 194 C3' DC B 1 8.540 5.837 -4.828 1.00 0.00 C ATOM 195 O3' DC B 1 8.942 5.292 -6.065 1.00 0.00 O ATOM 196 C2' DC B 1 8.879 4.930 -3.657 1.00 0.00 C ATOM 197 C1' DC B 1 9.192 5.913 -2.527 1.00 0.00 C ATOM 198 N1 DC B 1 7.921 6.306 -1.878 1.00 0.00 N ATOM 199 C2 DC B 1 7.924 7.063 -0.709 1.00 0.00 C ATOM 200 O2 DC B 1 8.971 7.444 -0.188 1.00 0.00 O ATOM 201 N3 DC B 1 6.732 7.328 -0.092 1.00 0.00 N ATOM 202 C4 DC B 1 5.585 6.869 -0.613 1.00 0.00 C ATOM 203 N4 DC B 1 4.468 6.972 0.098 1.00 0.00 N ATOM 204 C5 DC B 1 5.579 6.052 -1.778 1.00 0.00 C ATOM 205 C6 DC B 1 6.755 5.807 -2.369 1.00 0.00 C ATOM 0 H5' DC B 1 9.136 9.225 -4.534 1.00 0.00 H new ATOM 0 H5'' DC B 1 8.234 8.401 -5.791 1.00 0.00 H new ATOM 0 H4' DC B 1 10.225 7.119 -5.174 1.00 0.00 H new ATOM 0 H3' DC B 1 7.469 6.008 -4.932 1.00 0.00 H new ATOM 0 H2' DC B 1 8.046 4.276 -3.401 1.00 0.00 H new ATOM 0 H2'' DC B 1 9.732 4.288 -3.879 1.00 0.00 H new ATOM 0 HO5' DC B 1 7.484 7.618 -3.247 1.00 0.00 H new ATOM 0 H1' DC B 1 9.837 5.501 -1.751 1.00 0.00 H new ATOM 0 H41 DC B 1 3.587 6.628 -0.284 1.00 0.00 H new ATOM 0 H42 DC B 1 4.491 7.395 1.026 1.00 0.00 H new ATOM 0 H5 DC B 1 4.659 5.644 -2.171 1.00 0.00 H new ATOM 0 H6 DC B 1 6.778 5.197 -3.260 1.00 0.00 H new ATOM 218 P DG B 2 8.089 4.137 -6.793 1.00 0.00 P ATOM 219 OP1 DG B 2 8.684 3.888 -8.124 1.00 0.00 O ATOM 220 OP2 DG B 2 6.654 4.473 -6.673 1.00 0.00 O ATOM 221 O5' DG B 2 8.381 2.859 -5.868 1.00 0.00 O ATOM 222 C5' DG B 2 9.709 2.423 -5.672 1.00 0.00 C ATOM 223 C4' DG B 2 9.782 1.314 -4.621 1.00 0.00 C ATOM 224 O4' DG B 2 9.094 1.713 -3.444 1.00 0.00 O ATOM 225 C3' DG B 2 9.127 0.033 -5.122 1.00 0.00 C ATOM 226 O3' DG B 2 9.760 -1.067 -4.507 1.00 0.00 O ATOM 227 C2' DG B 2 7.705 0.214 -4.629 1.00 0.00 C ATOM 228 C1' DG B 2 7.909 0.941 -3.307 1.00 0.00 C ATOM 229 N9 DG B 2 6.750 1.817 -3.061 1.00 0.00 N ATOM 230 C8 DG B 2 6.193 2.725 -3.916 1.00 0.00 C ATOM 231 N7 DG B 2 5.191 3.393 -3.418 1.00 0.00 N ATOM 232 C5 DG B 2 5.051 2.861 -2.138 1.00 0.00 C ATOM 233 C6 DG B 2 4.131 3.187 -1.095 1.00 0.00 C ATOM 234 O6 DG B 2 3.290 4.086 -1.068 1.00 0.00 O ATOM 235 N1 DG B 2 4.270 2.358 0.005 1.00 0.00 N ATOM 236 C2 DG B 2 5.251 1.402 0.145 1.00 0.00 C ATOM 237 N2 DG B 2 5.278 0.668 1.251 1.00 0.00 N ATOM 238 N3 DG B 2 6.147 1.126 -0.805 1.00 0.00 N ATOM 239 C4 DG B 2 5.991 1.883 -1.920 1.00 0.00 C ATOM 0 H5' DG B 2 10.328 3.264 -5.359 1.00 0.00 H new ATOM 0 H5'' DG B 2 10.118 2.060 -6.615 1.00 0.00 H new ATOM 0 H4' DG B 2 10.837 1.133 -4.416 1.00 0.00 H new ATOM 0 H3' DG B 2 9.185 -0.145 -6.196 1.00 0.00 H new ATOM 0 H2' DG B 2 7.104 0.799 -5.326 1.00 0.00 H new ATOM 0 H2'' DG B 2 7.197 -0.741 -4.494 1.00 0.00 H new ATOM 0 H1' DG B 2 8.000 0.248 -2.470 1.00 0.00 H new ATOM 0 H8 DG B 2 6.554 2.877 -4.923 1.00 0.00 H new ATOM 0 H1 DG B 2 3.598 2.463 0.765 1.00 0.00 H new ATOM 0 H21 DG B 2 5.997 -0.045 1.372 1.00 0.00 H new ATOM 0 H22 DG B 2 4.580 0.817 1.979 1.00 0.00 H new ATOM 251 P DA B 3 9.195 -2.562 -4.681 1.00 0.00 P ATOM 252 OP1 DA B 3 10.320 -3.508 -4.513 1.00 0.00 O ATOM 253 OP2 DA B 3 8.356 -2.613 -5.898 1.00 0.00 O ATOM 254 O5' DA B 3 8.239 -2.687 -3.395 1.00 0.00 O ATOM 255 C5' DA B 3 8.819 -2.693 -2.108 1.00 0.00 C ATOM 256 C4' DA B 3 7.836 -3.200 -1.054 1.00 0.00 C ATOM 257 O4' DA B 3 6.837 -2.233 -0.772 1.00 0.00 O ATOM 258 C3' DA B 3 7.166 -4.480 -1.534 1.00 0.00 C ATOM 259 O3' DA B 3 7.282 -5.432 -0.502 1.00 0.00 O ATOM 260 C2' DA B 3 5.744 -4.021 -1.824 1.00 0.00 C ATOM 261 C1' DA B 3 5.548 -2.795 -0.941 1.00 0.00 C ATOM 262 N9 DA B 3 4.726 -1.809 -1.667 1.00 0.00 N ATOM 263 C8 DA B 3 4.908 -1.377 -2.956 1.00 0.00 C ATOM 264 N7 DA B 3 4.070 -0.457 -3.343 1.00 0.00 N ATOM 265 C5 DA B 3 3.297 -0.242 -2.208 1.00 0.00 C ATOM 266 C6 DA B 3 2.254 0.654 -1.932 1.00 0.00 C ATOM 267 N6 DA B 3 1.810 1.494 -2.860 1.00 0.00 N ATOM 268 N1 DA B 3 1.730 0.702 -0.696 1.00 0.00 N ATOM 269 C2 DA B 3 2.212 -0.132 0.225 1.00 0.00 C ATOM 270 N3 DA B 3 3.165 -1.051 0.081 1.00 0.00 N ATOM 271 C4 DA B 3 3.691 -1.046 -1.172 1.00 0.00 C ATOM 0 H5' DA B 3 9.144 -1.685 -1.849 1.00 0.00 H new ATOM 0 H5'' DA B 3 9.708 -3.324 -2.111 1.00 0.00 H new ATOM 0 H4' DA B 3 8.402 -3.395 -0.143 1.00 0.00 H new ATOM 0 H3' DA B 3 7.590 -4.960 -2.416 1.00 0.00 H new ATOM 0 H2' DA B 3 5.614 -3.775 -2.878 1.00 0.00 H new ATOM 0 H2'' DA B 3 5.020 -4.800 -1.587 1.00 0.00 H new ATOM 0 H1' DA B 3 5.070 -3.054 0.004 1.00 0.00 H new ATOM 0 H8 DA B 3 5.683 -1.768 -3.598 1.00 0.00 H new ATOM 0 H61 DA B 3 1.050 2.139 -2.643 1.00 0.00 H new ATOM 0 H62 DA B 3 2.229 1.494 -3.790 1.00 0.00 H new ATOM 0 H2 DA B 3 1.776 -0.053 1.210 1.00 0.00 H new ATOM 283 P DT B 4 6.517 -6.843 -0.555 1.00 0.00 P ATOM 284 OP1 DT B 4 7.247 -7.813 0.291 1.00 0.00 O ATOM 285 OP2 DT B 4 6.188 -7.168 -1.960 1.00 0.00 O ATOM 286 O5' DT B 4 5.184 -6.405 0.207 1.00 0.00 O ATOM 287 C5' DT B 4 5.296 -5.867 1.506 1.00 0.00 C ATOM 288 C4' DT B 4 3.950 -5.328 1.964 1.00 0.00 C ATOM 289 O4' DT B 4 3.524 -4.276 1.118 1.00 0.00 O ATOM 290 C3' DT B 4 2.899 -6.432 1.904 1.00 0.00 C ATOM 291 O3' DT B 4 2.398 -6.637 3.204 1.00 0.00 O ATOM 292 C2' DT B 4 1.864 -5.841 0.960 1.00 0.00 C ATOM 293 C1' DT B 4 2.118 -4.353 1.067 1.00 0.00 C ATOM 294 N1 DT B 4 1.594 -3.701 -0.141 1.00 0.00 N ATOM 295 C2 DT B 4 0.609 -2.737 0.009 1.00 0.00 C ATOM 296 O2 DT B 4 0.145 -2.434 1.104 1.00 0.00 O ATOM 297 N3 DT B 4 0.176 -2.121 -1.151 1.00 0.00 N ATOM 298 C4 DT B 4 0.647 -2.389 -2.426 1.00 0.00 C ATOM 299 O4 DT B 4 0.216 -1.761 -3.391 1.00 0.00 O ATOM 300 C5 DT B 4 1.683 -3.405 -2.487 1.00 0.00 C ATOM 301 C7 DT B 4 2.333 -3.740 -3.808 1.00 0.00 C ATOM 302 C6 DT B 4 2.114 -4.020 -1.363 1.00 0.00 C ATOM 0 H5' DT B 4 6.039 -5.069 1.515 1.00 0.00 H new ATOM 0 H5'' DT B 4 5.644 -6.634 2.197 1.00 0.00 H new ATOM 0 H4' DT B 4 4.064 -4.963 2.985 1.00 0.00 H new ATOM 0 H3' DT B 4 3.249 -7.405 1.560 1.00 0.00 H new ATOM 0 H2' DT B 4 1.996 -6.201 -0.060 1.00 0.00 H new ATOM 0 H2'' DT B 4 0.849 -6.100 1.261 1.00 0.00 H new ATOM 0 H1' DT B 4 1.646 -3.869 1.922 1.00 0.00 H new ATOM 0 H3 DT B 4 -0.550 -1.411 -1.060 1.00 0.00 H new ATOM 0 H71 DT B 4 3.359 -4.066 -3.636 1.00 0.00 H new ATOM 0 H72 DT B 4 1.775 -4.539 -4.296 1.00 0.00 H new ATOM 0 H73 DT B 4 2.335 -2.857 -4.447 1.00 0.00 H new ATOM 0 H6 DT B 4 2.882 -4.776 -1.432 1.00 0.00 H new ATOM 315 P DC B 5 1.254 -7.724 3.507 1.00 0.00 P ATOM 316 OP1 DC B 5 1.628 -8.479 4.722 1.00 0.00 O ATOM 317 OP2 DC B 5 0.919 -8.439 2.255 1.00 0.00 O ATOM 318 O5' DC B 5 0.029 -6.758 3.870 1.00 0.00 O ATOM 319 C5' DC B 5 0.148 -5.877 4.968 1.00 0.00 C ATOM 320 C4' DC B 5 -1.170 -5.172 5.282 1.00 0.00 C ATOM 321 O4' DC B 5 -1.577 -4.338 4.213 1.00 0.00 O ATOM 322 C3' DC B 5 -2.263 -6.205 5.495 1.00 0.00 C ATOM 323 O3' DC B 5 -3.197 -5.693 6.417 1.00 0.00 O ATOM 324 C2' DC B 5 -2.826 -6.353 4.087 1.00 0.00 C ATOM 325 C1' DC B 5 -2.617 -4.965 3.482 1.00 0.00 C ATOM 326 N1 DC B 5 -2.237 -4.989 2.052 1.00 0.00 N ATOM 327 C2 DC B 5 -2.574 -3.879 1.294 1.00 0.00 C ATOM 328 O2 DC B 5 -3.174 -2.931 1.794 1.00 0.00 O ATOM 329 N3 DC B 5 -2.309 -3.884 -0.044 1.00 0.00 N ATOM 330 C4 DC B 5 -1.674 -4.917 -0.601 1.00 0.00 C ATOM 331 N4 DC B 5 -1.436 -4.859 -1.906 1.00 0.00 N ATOM 332 C5 DC B 5 -1.211 -6.023 0.180 1.00 0.00 C ATOM 333 C6 DC B 5 -1.528 -6.020 1.497 1.00 0.00 C ATOM 0 H5' DC B 5 0.915 -5.133 4.754 1.00 0.00 H new ATOM 0 H5'' DC B 5 0.479 -6.433 5.845 1.00 0.00 H new ATOM 0 H4' DC B 5 -1.013 -4.570 6.177 1.00 0.00 H new ATOM 0 H3' DC B 5 -1.947 -7.162 5.910 1.00 0.00 H new ATOM 0 H2' DC B 5 -2.300 -7.122 3.522 1.00 0.00 H new ATOM 0 H2'' DC B 5 -3.880 -6.632 4.101 1.00 0.00 H new ATOM 0 H1' DC B 5 -3.565 -4.430 3.543 1.00 0.00 H new ATOM 0 H41 DC B 5 -0.953 -5.628 -2.371 1.00 0.00 H new ATOM 0 H42 DC B 5 -1.736 -4.046 -2.443 1.00 0.00 H new ATOM 0 H5 DC B 5 -0.635 -6.824 -0.260 1.00 0.00 H new ATOM 0 H6 DC B 5 -1.216 -6.845 2.120 1.00 0.00 H new ATOM 345 P DG B 6 -4.296 -6.655 7.083 1.00 0.00 P ATOM 346 OP1 DG B 6 -4.886 -5.959 8.247 1.00 0.00 O ATOM 347 OP2 DG B 6 -3.700 -8.000 7.244 1.00 0.00 O ATOM 348 O5' DG B 6 -5.389 -6.711 5.915 1.00 0.00 O ATOM 349 C5' DG B 6 -6.109 -5.544 5.585 1.00 0.00 C ATOM 350 C4' DG B 6 -6.986 -5.783 4.360 1.00 0.00 C ATOM 351 O4' DG B 6 -6.207 -6.040 3.214 1.00 0.00 O ATOM 352 C3' DG B 6 -7.899 -6.980 4.530 1.00 0.00 C ATOM 353 O3' DG B 6 -9.237 -6.562 4.677 1.00 0.00 O ATOM 354 C2' DG B 6 -7.743 -7.766 3.240 1.00 0.00 C ATOM 355 C1' DG B 6 -7.054 -6.760 2.343 1.00 0.00 C ATOM 356 N9 DG B 6 -6.241 -7.413 1.306 1.00 0.00 N ATOM 357 C8 DG B 6 -4.920 -7.724 1.415 1.00 0.00 C ATOM 358 N7 DG B 6 -4.319 -7.945 0.281 1.00 0.00 N ATOM 359 C5 DG B 6 -5.344 -7.813 -0.653 1.00 0.00 C ATOM 360 C6 DG B 6 -5.297 -7.798 -2.079 1.00 0.00 C ATOM 361 O6 DG B 6 -4.314 -7.876 -2.814 1.00 0.00 O ATOM 362 N1 DG B 6 -6.542 -7.603 -2.650 1.00 0.00 N ATOM 363 C2 DG B 6 -7.712 -7.482 -1.945 1.00 0.00 C ATOM 364 N2 DG B 6 -8.841 -7.437 -2.643 1.00 0.00 N ATOM 365 N3 DG B 6 -7.762 -7.409 -0.609 1.00 0.00 N ATOM 366 C4 DG B 6 -6.542 -7.559 -0.026 1.00 0.00 C ATOM 0 H5' DG B 6 -5.416 -4.726 5.389 1.00 0.00 H new ATOM 0 H5'' DG B 6 -6.729 -5.241 6.429 1.00 0.00 H new ATOM 0 H4' DG B 6 -7.573 -4.871 4.246 1.00 0.00 H new ATOM 0 H3' DG B 6 -7.648 -7.567 5.414 1.00 0.00 H new ATOM 0 H2' DG B 6 -7.144 -8.666 3.380 1.00 0.00 H new ATOM 0 H2'' DG B 6 -8.704 -8.083 2.836 1.00 0.00 H new ATOM 0 HO3' DG B 6 -9.815 -7.346 4.784 1.00 0.00 H new ATOM 0 H1' DG B 6 -7.779 -6.137 1.819 1.00 0.00 H new ATOM 0 H8 DG B 6 -4.411 -7.783 2.366 1.00 0.00 H new ATOM 0 H1 DG B 6 -6.593 -7.545 -3.667 1.00 0.00 H new ATOM 0 H21 DG B 6 -9.735 -7.347 -2.161 1.00 0.00 H new ATOM 0 H22 DG B 6 -8.814 -7.492 -3.661 1.00 0.00 H new TER 378 DG B 6 HETATM 379 C4 PPZ A 7 8.315 1.722 3.181 1.00 0.00 C HETATM 380 C5 PPZ A 7 9.483 2.080 2.504 1.00 0.00 C HETATM 381 N7 PPZ A 7 9.157 2.873 1.404 1.00 0.00 N HETATM 382 C8 PPZ A 7 7.823 3.206 1.541 1.00 0.00 C HETATM 383 C13 PPZ A 7 7.016 4.148 0.885 1.00 0.00 C HETATM 384 C12 PPZ A 7 5.769 4.473 1.432 1.00 0.00 C HETATM 385 C11 PPZ A 7 5.317 3.799 2.574 1.00 0.00 C HETATM 386 C10 PPZ A 7 6.107 2.809 3.181 1.00 0.00 C HETATM 387 N9 PPZ A 7 7.354 2.551 2.659 1.00 0.00 N HETATM 388 C6 PPZ A 7 10.683 1.670 3.100 1.00 0.00 C HETATM 389 N6 PPZ A 7 11.834 2.384 2.830 1.00 0.00 N HETATM 390 N1 PPZ A 7 10.640 0.820 4.138 1.00 0.00 N HETATM 391 C2 PPZ A 7 9.448 0.466 4.618 1.00 0.00 C HETATM 392 N3 PPZ A 7 8.240 0.884 4.246 1.00 0.00 N HETATM 393 C61 PPZ A 7 11.882 3.630 2.078 1.00 0.00 C HETATM 394 C7 PPZ A 7 10.816 4.617 2.584 1.00 0.00 C HETATM 395 O8 PPZ A 7 11.324 5.454 3.600 1.00 0.00 O HETATM 0 H8 PPZ A 7 10.711 5.450 4.364 1.00 0.00 H new HETATM 0 H72 PPZ A 7 10.460 5.227 1.753 1.00 0.00 H new HETATM 0 H71 PPZ A 7 9.957 4.063 2.963 1.00 0.00 H new HETATM 0 H62 PPZ A 7 12.871 4.078 2.171 1.00 0.00 H new HETATM 0 H61 PPZ A 7 11.722 3.427 1.019 1.00 0.00 H new HETATM 0 H6 PPZ A 7 12.715 2.011 3.183 1.00 0.00 H new HETATM 0 H2 PPZ A 7 9.465 -0.266 5.426 1.00 0.00 H new HETATM 0 H13 PPZ A 7 7.355 4.620 -0.037 1.00 0.00 H new HETATM 0 H12 PPZ A 7 5.153 5.246 0.972 1.00 0.00 H new HETATM 0 H11 PPZ A 7 4.343 4.045 2.996 1.00 0.00 H new HETATM 0 H10 PPZ A 7 5.740 2.257 4.047 1.00 0.00 H new HETATM 407 C4 PPZ B 7 -8.463 -3.713 1.164 1.00 0.00 C HETATM 408 C5 PPZ B 7 -9.517 -3.677 0.245 1.00 0.00 C HETATM 409 N7 PPZ B 7 -8.999 -3.639 -1.049 1.00 0.00 N HETATM 410 C8 PPZ B 7 -7.641 -3.867 -0.943 1.00 0.00 C HETATM 411 C13 PPZ B 7 -6.656 -4.151 -1.902 1.00 0.00 C HETATM 412 C12 PPZ B 7 -5.398 -4.588 -1.474 1.00 0.00 C HETATM 413 C11 PPZ B 7 -5.121 -4.658 -0.101 1.00 0.00 C HETATM 414 C10 PPZ B 7 -6.093 -4.301 0.847 1.00 0.00 C HETATM 415 N9 PPZ B 7 -7.346 -3.946 0.400 1.00 0.00 N HETATM 416 C6 PPZ B 7 -10.807 -3.752 0.789 1.00 0.00 C HETATM 417 N6 PPZ B 7 -11.864 -4.126 -0.019 1.00 0.00 N HETATM 418 N1 PPZ B 7 -10.954 -3.694 2.122 1.00 0.00 N HETATM 419 C2 PPZ B 7 -9.863 -3.647 2.885 1.00 0.00 C HETATM 420 N3 PPZ B 7 -8.583 -3.688 2.516 1.00 0.00 N HETATM 421 C61 PPZ B 7 -11.755 -4.570 -1.402 1.00 0.00 C HETATM 422 C7 PPZ B 7 -10.680 -5.658 -1.535 1.00 0.00 C HETATM 423 O8 PPZ B 7 -11.186 -6.935 -1.212 1.00 0.00 O HETATM 0 H8 PPZ B 7 -10.681 -7.306 -0.459 1.00 0.00 H new HETATM 0 H72 PPZ B 7 -10.295 -5.666 -2.555 1.00 0.00 H new HETATM 0 H71 PPZ B 7 -9.841 -5.423 -0.880 1.00 0.00 H new HETATM 0 H62 PPZ B 7 -12.716 -4.956 -1.743 1.00 0.00 H new HETATM 0 H61 PPZ B 7 -11.506 -3.724 -2.043 1.00 0.00 H new HETATM 0 H6 PPZ B 7 -12.799 -4.088 0.387 1.00 0.00 H new HETATM 0 H2 PPZ B 7 -10.041 -3.564 3.957 1.00 0.00 H new HETATM 0 H13 PPZ B 7 -6.868 -4.033 -2.965 1.00 0.00 H new HETATM 0 H12 PPZ B 7 -4.638 -4.872 -2.202 1.00 0.00 H new HETATM 0 H11 PPZ B 7 -4.140 -4.994 0.234 1.00 0.00 H new HETATM 0 H10 PPZ B 7 -5.861 -4.305 1.912 1.00 0.00 H new