USER MOD reduce.3.24.130724 H: found=0, std=0, add=186, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 0 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 DG O5' : rot -16:sc= 0.188 USER MOD Single : A 2 DT C7 :methyl 150:sc= -0.044 (180deg=-0.044) USER MOD Single : A 4 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 6 DT C7 :methyl 150:sc= -0.315 (180deg=-0.315) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 DG O5' : rot 180:sc= 0 USER MOD Single : B 10 DT C7 :methyl 150:sc= -0.286 (180deg=-0.286) USER MOD Single : B 12 DT C7 :methyl 150:sc=-0.00241 (180deg=-0.00241) USER MOD Single : B 14 DT C7 :methyl 150:sc= -0.333 (180deg=-0.333) USER MOD Single : B 16 DC O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 10.992 -6.081 -9.524 1.00 0.00 O ATOM 2 C5' DG A 1 11.582 -5.159 -8.631 1.00 0.00 C ATOM 3 C4' DG A 1 11.488 -3.722 -9.192 1.00 0.00 C ATOM 4 O4' DG A 1 10.260 -3.537 -9.880 1.00 0.00 O ATOM 5 C3' DG A 1 11.561 -2.604 -8.144 1.00 0.00 C ATOM 6 O3' DG A 1 12.024 -1.403 -8.755 1.00 0.00 O ATOM 7 C2' DG A 1 10.092 -2.499 -7.807 1.00 0.00 C ATOM 8 C1' DG A 1 9.503 -2.548 -9.209 1.00 0.00 C ATOM 9 N9 DG A 1 8.109 -2.981 -9.139 1.00 0.00 N ATOM 10 C8 DG A 1 7.675 -4.198 -8.732 1.00 0.00 C ATOM 11 N7 DG A 1 6.376 -4.334 -8.741 1.00 0.00 N ATOM 12 C5 DG A 1 5.922 -3.084 -9.175 1.00 0.00 C ATOM 13 C6 DG A 1 4.601 -2.567 -9.347 1.00 0.00 C ATOM 14 O6 DG A 1 3.530 -3.148 -9.183 1.00 0.00 O ATOM 15 N1 DG A 1 4.589 -1.231 -9.726 1.00 0.00 N ATOM 16 C2 DG A 1 5.719 -0.464 -9.897 1.00 0.00 C ATOM 17 N2 DG A 1 5.590 0.842 -10.096 1.00 0.00 N ATOM 18 N3 DG A 1 6.955 -0.936 -9.741 1.00 0.00 N ATOM 19 C4 DG A 1 6.987 -2.244 -9.393 1.00 0.00 C ATOM 0 H5' DG A 1 12.626 -5.423 -8.465 1.00 0.00 H new ATOM 0 H5'' DG A 1 11.082 -5.211 -7.664 1.00 0.00 H new ATOM 0 H4' DG A 1 12.361 -3.640 -9.840 1.00 0.00 H new ATOM 0 H3' DG A 1 12.224 -2.779 -7.296 1.00 0.00 H new ATOM 0 H2' DG A 1 9.747 -3.321 -7.180 1.00 0.00 H new ATOM 0 H2'' DG A 1 9.848 -1.575 -7.283 1.00 0.00 H new ATOM 0 HO5' DG A 1 10.432 -5.600 -10.169 1.00 0.00 H new ATOM 0 H1' DG A 1 9.535 -1.579 -9.707 1.00 0.00 H new ATOM 0 H8 DG A 1 8.345 -4.988 -8.426 1.00 0.00 H new ATOM 0 H1 DG A 1 3.684 -0.789 -9.888 1.00 0.00 H new ATOM 0 H21 DG A 1 6.419 1.423 -10.224 1.00 0.00 H new ATOM 0 H22 DG A 1 4.662 1.265 -10.121 1.00 0.00 H new ATOM 20 P DT A 2 12.337 -0.056 -7.910 1.00 0.00 P ATOM 21 OP1 DT A 2 13.756 0.291 -8.141 1.00 0.00 O ATOM 22 OP2 DT A 2 11.861 -0.263 -6.524 1.00 0.00 O ATOM 23 O5' DT A 2 11.426 1.114 -8.570 1.00 0.00 O ATOM 24 C5' DT A 2 10.025 0.970 -8.735 1.00 0.00 C ATOM 25 C4' DT A 2 9.207 2.239 -8.471 1.00 0.00 C ATOM 26 O4' DT A 2 7.841 1.860 -8.538 1.00 0.00 O ATOM 27 C3' DT A 2 9.454 2.830 -7.077 1.00 0.00 C ATOM 28 O3' DT A 2 9.294 4.238 -7.156 1.00 0.00 O ATOM 29 C2' DT A 2 8.381 2.152 -6.248 1.00 0.00 C ATOM 30 C1' DT A 2 7.250 2.067 -7.270 1.00 0.00 C ATOM 31 N1 DT A 2 6.277 0.992 -6.961 1.00 0.00 N ATOM 32 C2 DT A 2 4.914 1.249 -7.106 1.00 0.00 C ATOM 33 O2 DT A 2 4.458 2.334 -7.452 1.00 0.00 O ATOM 34 N3 DT A 2 4.064 0.197 -6.839 1.00 0.00 N ATOM 35 C4 DT A 2 4.439 -1.030 -6.335 1.00 0.00 C ATOM 36 O4 DT A 2 3.581 -1.839 -5.993 1.00 0.00 O ATOM 37 C5 DT A 2 5.870 -1.248 -6.268 1.00 0.00 C ATOM 38 C7 DT A 2 6.404 -2.583 -5.787 1.00 0.00 C ATOM 39 C6 DT A 2 6.726 -0.248 -6.586 1.00 0.00 C ATOM 0 H5' DT A 2 9.675 0.184 -8.066 1.00 0.00 H new ATOM 0 H5'' DT A 2 9.827 0.634 -9.753 1.00 0.00 H new ATOM 0 H4' DT A 2 9.492 2.994 -9.204 1.00 0.00 H new ATOM 0 H3' DT A 2 10.446 2.669 -6.655 1.00 0.00 H new ATOM 0 H2' DT A 2 8.692 1.170 -5.891 1.00 0.00 H new ATOM 0 H2'' DT A 2 8.104 2.737 -5.371 1.00 0.00 H new ATOM 0 H1' DT A 2 6.679 2.995 -7.249 1.00 0.00 H new ATOM 0 H3 DT A 2 3.072 0.339 -7.031 1.00 0.00 H new ATOM 0 H71 DT A 2 7.361 -2.787 -6.268 1.00 0.00 H new ATOM 0 H72 DT A 2 6.540 -2.552 -4.706 1.00 0.00 H new ATOM 0 H73 DT A 2 5.695 -3.371 -6.041 1.00 0.00 H new ATOM 0 H6 DT A 2 7.789 -0.432 -6.543 1.00 0.00 H new ATOM 40 P DA A 3 9.340 5.193 -5.862 1.00 0.00 P ATOM 41 OP1 DA A 3 9.828 6.525 -6.281 1.00 0.00 O ATOM 42 OP2 DA A 3 10.030 4.477 -4.766 1.00 0.00 O ATOM 43 O5' DA A 3 7.785 5.310 -5.460 1.00 0.00 O ATOM 44 C5' DA A 3 6.948 6.320 -5.996 1.00 0.00 C ATOM 45 C4' DA A 3 5.641 6.422 -5.194 1.00 0.00 C ATOM 46 O4' DA A 3 4.856 5.242 -5.351 1.00 0.00 O ATOM 47 C3' DA A 3 5.923 6.566 -3.689 1.00 0.00 C ATOM 48 O3' DA A 3 5.701 7.808 -3.030 1.00 0.00 O ATOM 49 C2' DA A 3 5.221 5.361 -3.059 1.00 0.00 C ATOM 50 C1' DA A 3 4.207 4.932 -4.126 1.00 0.00 C ATOM 51 N9 DA A 3 3.895 3.479 -4.071 1.00 0.00 N ATOM 52 C8 DA A 3 4.784 2.443 -3.969 1.00 0.00 C ATOM 53 N7 DA A 3 4.248 1.253 -3.969 1.00 0.00 N ATOM 54 C5 DA A 3 2.891 1.519 -4.111 1.00 0.00 C ATOM 55 C6 DA A 3 1.757 0.688 -4.212 1.00 0.00 C ATOM 56 N6 DA A 3 1.839 -0.641 -4.225 1.00 0.00 N ATOM 57 N1 DA A 3 0.543 1.242 -4.341 1.00 0.00 N ATOM 58 C2 DA A 3 0.461 2.568 -4.377 1.00 0.00 C ATOM 59 N3 DA A 3 1.442 3.462 -4.306 1.00 0.00 N ATOM 60 C4 DA A 3 2.658 2.870 -4.175 1.00 0.00 C ATOM 0 H5' DA A 3 6.724 6.098 -7.040 1.00 0.00 H new ATOM 0 H5'' DA A 3 7.468 7.278 -5.978 1.00 0.00 H new ATOM 0 H4' DA A 3 5.113 7.297 -5.573 1.00 0.00 H new ATOM 0 H3' DA A 3 7.004 6.578 -3.548 1.00 0.00 H new ATOM 0 H2' DA A 3 5.926 4.561 -2.832 1.00 0.00 H new ATOM 0 H2'' DA A 3 4.729 5.628 -2.124 1.00 0.00 H new ATOM 0 H1' DA A 3 3.250 5.436 -3.990 1.00 0.00 H new ATOM 0 H8 DA A 3 5.850 2.599 -3.894 1.00 0.00 H new ATOM 0 H61 DA A 3 0.991 -1.204 -4.300 1.00 0.00 H new ATOM 0 H62 DA A 3 2.749 -1.096 -4.160 1.00 0.00 H new ATOM 0 H2 DA A 3 -0.535 2.973 -4.477 1.00 0.00 H new ATOM 61 P DT A 4 4.365 8.715 -3.077 1.00 0.00 P ATOM 62 OP1 DT A 4 4.033 9.031 -4.482 1.00 0.00 O ATOM 63 OP2 DT A 4 4.583 9.827 -2.127 1.00 0.00 O ATOM 64 O5' DT A 4 3.176 7.822 -2.472 1.00 0.00 O ATOM 65 C5' DT A 4 1.838 8.233 -2.686 1.00 0.00 C ATOM 66 C4' DT A 4 0.824 7.359 -1.946 1.00 0.00 C ATOM 67 O4' DT A 4 1.054 5.979 -2.183 1.00 0.00 O ATOM 68 C3' DT A 4 0.790 7.592 -0.429 1.00 0.00 C ATOM 69 O3' DT A 4 -0.508 7.813 0.084 1.00 0.00 O ATOM 70 C2' DT A 4 1.227 6.238 0.063 1.00 0.00 C ATOM 71 C1' DT A 4 0.656 5.316 -1.008 1.00 0.00 C ATOM 72 N1 DT A 4 1.175 3.928 -0.961 1.00 0.00 N ATOM 73 C2 DT A 4 0.286 2.889 -1.204 1.00 0.00 C ATOM 74 O2 DT A 4 -0.909 3.051 -1.433 1.00 0.00 O ATOM 75 N3 DT A 4 0.810 1.618 -1.166 1.00 0.00 N ATOM 76 C4 DT A 4 2.119 1.277 -0.926 1.00 0.00 C ATOM 77 O4 DT A 4 2.454 0.096 -0.952 1.00 0.00 O ATOM 78 C5 DT A 4 2.997 2.411 -0.710 1.00 0.00 C ATOM 79 C7 DT A 4 4.472 2.167 -0.468 1.00 0.00 C ATOM 80 C6 DT A 4 2.503 3.676 -0.736 1.00 0.00 C ATOM 0 H5' DT A 4 1.621 8.208 -3.754 1.00 0.00 H new ATOM 0 H5'' DT A 4 1.724 9.267 -2.362 1.00 0.00 H new ATOM 0 H4' DT A 4 -0.142 7.659 -2.352 1.00 0.00 H new ATOM 0 H3' DT A 4 1.379 8.462 -0.139 1.00 0.00 H new ATOM 0 H2' DT A 4 2.312 6.160 0.134 1.00 0.00 H new ATOM 0 H2'' DT A 4 0.826 6.014 1.051 1.00 0.00 H new ATOM 0 H1' DT A 4 -0.418 5.167 -0.900 1.00 0.00 H new ATOM 0 H3 DT A 4 0.160 0.850 -1.333 1.00 0.00 H new ATOM 0 H71 DT A 4 5.047 3.014 -0.843 1.00 0.00 H new ATOM 0 H72 DT A 4 4.651 2.051 0.601 1.00 0.00 H new ATOM 0 H73 DT A 4 4.781 1.260 -0.988 1.00 0.00 H new ATOM 0 H6 DT A 4 3.175 4.506 -0.575 1.00 0.00 H new ATOM 81 P DA A 5 -1.313 9.194 -0.093 1.00 0.00 P ATOM 82 OP1 DA A 5 -1.089 9.732 -1.454 1.00 0.00 O ATOM 83 OP2 DA A 5 -1.059 10.048 1.087 1.00 0.00 O ATOM 84 O5' DA A 5 -2.818 8.629 -0.004 1.00 0.00 O ATOM 85 C5' DA A 5 -3.525 8.215 -1.160 1.00 0.00 C ATOM 86 C4' DA A 5 -4.498 7.070 -0.847 1.00 0.00 C ATOM 87 O4' DA A 5 -3.754 5.878 -0.670 1.00 0.00 O ATOM 88 C3' DA A 5 -5.354 7.304 0.404 1.00 0.00 C ATOM 89 O3' DA A 5 -6.725 7.107 0.088 1.00 0.00 O ATOM 90 C2' DA A 5 -4.803 6.289 1.377 1.00 0.00 C ATOM 91 C1' DA A 5 -4.187 5.211 0.496 1.00 0.00 C ATOM 92 N9 DA A 5 -2.994 4.618 1.120 1.00 0.00 N ATOM 93 C8 DA A 5 -1.891 5.289 1.575 1.00 0.00 C ATOM 94 N7 DA A 5 -0.889 4.519 1.902 1.00 0.00 N ATOM 95 C5 DA A 5 -1.371 3.246 1.633 1.00 0.00 C ATOM 96 C6 DA A 5 -0.786 1.976 1.720 1.00 0.00 C ATOM 97 N6 DA A 5 0.490 1.814 2.068 1.00 0.00 N ATOM 98 N1 DA A 5 -1.522 0.899 1.421 1.00 0.00 N ATOM 99 C2 DA A 5 -2.789 1.073 1.051 1.00 0.00 C ATOM 100 N3 DA A 5 -3.452 2.213 0.900 1.00 0.00 N ATOM 101 C4 DA A 5 -2.668 3.284 1.192 1.00 0.00 C ATOM 0 H5' DA A 5 -2.817 7.893 -1.924 1.00 0.00 H new ATOM 0 H5'' DA A 5 -4.077 9.060 -1.572 1.00 0.00 H new ATOM 0 H4' DA A 5 -5.186 7.005 -1.690 1.00 0.00 H new ATOM 0 H3' DA A 5 -5.310 8.312 0.816 1.00 0.00 H new ATOM 0 H2' DA A 5 -4.059 6.735 2.037 1.00 0.00 H new ATOM 0 H2'' DA A 5 -5.589 5.881 2.012 1.00 0.00 H new ATOM 0 H1' DA A 5 -4.914 4.419 0.316 1.00 0.00 H new ATOM 0 H8 DA A 5 -1.853 6.365 1.657 1.00 0.00 H new ATOM 0 H61 DA A 5 0.889 0.877 2.123 1.00 0.00 H new ATOM 0 H62 DA A 5 1.068 2.627 2.279 1.00 0.00 H new ATOM 0 H2 DA A 5 -3.349 0.172 0.848 1.00 0.00 H new ATOM 102 P DT A 6 -7.912 7.338 1.159 1.00 0.00 P ATOM 103 OP1 DT A 6 -9.178 7.495 0.411 1.00 0.00 O ATOM 104 OP2 DT A 6 -7.484 8.388 2.109 1.00 0.00 O ATOM 105 O5' DT A 6 -7.963 5.935 1.944 1.00 0.00 O ATOM 106 C5' DT A 6 -8.412 4.770 1.288 1.00 0.00 C ATOM 107 C4' DT A 6 -8.122 3.508 2.104 1.00 0.00 C ATOM 108 O4' DT A 6 -6.747 3.277 2.314 1.00 0.00 O ATOM 109 C3' DT A 6 -8.831 3.452 3.463 1.00 0.00 C ATOM 110 O3' DT A 6 -9.714 2.340 3.390 1.00 0.00 O ATOM 111 C2' DT A 6 -7.656 3.266 4.426 1.00 0.00 C ATOM 112 C1' DT A 6 -6.633 2.569 3.532 1.00 0.00 C ATOM 113 N1 DT A 6 -5.225 2.669 3.970 1.00 0.00 N ATOM 114 C2 DT A 6 -4.442 1.518 4.010 1.00 0.00 C ATOM 115 O2 DT A 6 -4.884 0.385 3.851 1.00 0.00 O ATOM 116 N3 DT A 6 -3.100 1.698 4.269 1.00 0.00 N ATOM 117 C4 DT A 6 -2.497 2.897 4.583 1.00 0.00 C ATOM 118 O4 DT A 6 -1.307 2.907 4.891 1.00 0.00 O ATOM 119 C5 DT A 6 -3.361 4.060 4.459 1.00 0.00 C ATOM 120 C7 DT A 6 -2.811 5.446 4.737 1.00 0.00 C ATOM 121 C6 DT A 6 -4.672 3.907 4.142 1.00 0.00 C ATOM 0 H5' DT A 6 -7.928 4.692 0.314 1.00 0.00 H new ATOM 0 H5'' DT A 6 -9.484 4.846 1.106 1.00 0.00 H new ATOM 0 H4' DT A 6 -8.530 2.720 1.471 1.00 0.00 H new ATOM 0 H3' DT A 6 -9.432 4.309 3.767 1.00 0.00 H new ATOM 0 H2' DT A 6 -7.285 4.217 4.808 1.00 0.00 H new ATOM 0 H2'' DT A 6 -7.926 2.659 5.290 1.00 0.00 H new ATOM 0 H1' DT A 6 -6.844 1.500 3.511 1.00 0.00 H new ATOM 0 H3 DT A 6 -2.502 0.873 4.224 1.00 0.00 H new ATOM 0 H71 DT A 6 -3.342 6.177 4.128 1.00 0.00 H new ATOM 0 H72 DT A 6 -2.945 5.686 5.792 1.00 0.00 H new ATOM 0 H73 DT A 6 -1.749 5.472 4.491 1.00 0.00 H new ATOM 0 H6 DT A 6 -5.292 4.783 4.023 1.00 0.00 H new ATOM 122 P DA A 7 -10.898 2.053 4.445 1.00 0.00 P ATOM 123 OP1 DA A 7 -11.938 1.255 3.757 1.00 0.00 O ATOM 124 OP2 DA A 7 -11.268 3.316 5.119 1.00 0.00 O ATOM 125 O5' DA A 7 -10.181 1.091 5.509 1.00 0.00 O ATOM 126 C5' DA A 7 -9.975 1.503 6.841 1.00 0.00 C ATOM 127 C4' DA A 7 -9.070 0.489 7.542 1.00 0.00 C ATOM 128 O4' DA A 7 -7.798 0.453 6.911 1.00 0.00 O ATOM 129 C3' DA A 7 -8.841 0.889 8.999 1.00 0.00 C ATOM 130 O3' DA A 7 -9.493 0.115 10.007 1.00 0.00 O ATOM 131 C2' DA A 7 -7.335 0.922 9.107 1.00 0.00 C ATOM 132 C1' DA A 7 -6.836 0.139 7.892 1.00 0.00 C ATOM 133 N9 DA A 7 -5.516 0.649 7.481 1.00 0.00 N ATOM 134 C8 DA A 7 -5.217 1.966 7.323 1.00 0.00 C ATOM 135 N7 DA A 7 -3.945 2.237 7.252 1.00 0.00 N ATOM 136 C5 DA A 7 -3.365 0.973 7.294 1.00 0.00 C ATOM 137 C6 DA A 7 -2.030 0.544 7.297 1.00 0.00 C ATOM 138 N6 DA A 7 -1.029 1.416 7.273 1.00 0.00 N ATOM 139 N1 DA A 7 -1.750 -0.770 7.302 1.00 0.00 N ATOM 140 C2 DA A 7 -2.776 -1.620 7.280 1.00 0.00 C ATOM 141 N3 DA A 7 -4.078 -1.352 7.329 1.00 0.00 N ATOM 142 C4 DA A 7 -4.313 -0.014 7.357 1.00 0.00 C ATOM 0 H5' DA A 7 -10.929 1.580 7.363 1.00 0.00 H new ATOM 0 H5'' DA A 7 -9.519 2.493 6.863 1.00 0.00 H new ATOM 0 H4' DA A 7 -9.560 -0.483 7.487 1.00 0.00 H new ATOM 0 H3' DA A 7 -9.319 1.845 9.214 1.00 0.00 H new ATOM 0 H2' DA A 7 -6.961 1.946 9.098 1.00 0.00 H new ATOM 0 H2'' DA A 7 -6.996 0.466 10.037 1.00 0.00 H new ATOM 0 H1' DA A 7 -6.724 -0.930 8.070 1.00 0.00 H new ATOM 0 H8 DA A 7 -5.977 2.730 7.261 1.00 0.00 H new ATOM 0 H61 DA A 7 -0.064 1.085 7.276 1.00 0.00 H new ATOM 0 H62 DA A 7 -1.225 2.417 7.252 1.00 0.00 H new ATOM 0 H2 DA A 7 -2.516 -2.666 7.214 1.00 0.00 H new ATOM 143 P DC A 8 -9.304 -1.484 10.275 1.00 0.00 P ATOM 144 OP1 DC A 8 -9.578 -2.227 9.028 1.00 0.00 O ATOM 145 OP2 DC A 8 -10.085 -1.817 11.484 1.00 0.00 O ATOM 146 O5' DC A 8 -7.752 -1.709 10.639 1.00 0.00 O ATOM 147 C5' DC A 8 -7.192 -3.005 10.582 1.00 0.00 C ATOM 148 C4' DC A 8 -5.762 -3.041 11.132 1.00 0.00 C ATOM 149 O4' DC A 8 -4.866 -2.219 10.407 1.00 0.00 O ATOM 150 C3' DC A 8 -5.644 -2.538 12.567 1.00 0.00 C ATOM 151 O3' DC A 8 -5.960 -3.542 13.508 1.00 0.00 O ATOM 152 C2' DC A 8 -4.173 -2.134 12.659 1.00 0.00 C ATOM 153 C1' DC A 8 -3.696 -2.090 11.200 1.00 0.00 C ATOM 154 N1 DC A 8 -2.967 -0.827 10.907 1.00 0.00 N ATOM 155 C2 DC A 8 -1.579 -0.810 10.996 1.00 0.00 C ATOM 156 O2 DC A 8 -0.955 -1.812 11.330 1.00 0.00 O ATOM 157 N3 DC A 8 -0.906 0.349 10.745 1.00 0.00 N ATOM 158 C4 DC A 8 -1.579 1.465 10.441 1.00 0.00 C ATOM 159 N4 DC A 8 -0.889 2.572 10.195 1.00 0.00 N ATOM 160 C5 DC A 8 -3.009 1.489 10.390 1.00 0.00 C ATOM 161 C6 DC A 8 -3.649 0.323 10.629 1.00 0.00 C ATOM 0 H5' DC A 8 -7.191 -3.354 9.549 1.00 0.00 H new ATOM 0 H5'' DC A 8 -7.816 -3.694 11.151 1.00 0.00 H new ATOM 0 H4' DC A 8 -5.510 -4.098 11.053 1.00 0.00 H new ATOM 0 H3' DC A 8 -6.336 -1.726 12.791 1.00 0.00 H new ATOM 0 H2' DC A 8 -4.057 -1.165 13.144 1.00 0.00 H new ATOM 0 H2'' DC A 8 -3.599 -2.854 13.243 1.00 0.00 H new ATOM 0 HO3' DC A 8 -5.871 -3.180 14.415 1.00 0.00 H new ATOM 0 H1' DC A 8 -2.988 -2.891 10.987 1.00 0.00 H new ATOM 0 H41 DC A 8 -1.378 3.436 9.961 1.00 0.00 H new ATOM 0 H42 DC A 8 0.130 2.558 10.240 1.00 0.00 H new ATOM 0 H5 DC A 8 -3.551 2.397 10.171 1.00 0.00 H new ATOM 0 H6 DC A 8 -4.728 0.300 10.599 1.00 0.00 H new TER 162 DC A 8 ATOM 163 O5' DG B 9 11.550 -0.769 11.110 1.00 0.00 O ATOM 164 C5' DG B 9 10.307 -0.101 11.079 1.00 0.00 C ATOM 165 C4' DG B 9 9.205 -1.006 11.654 1.00 0.00 C ATOM 166 O4' DG B 9 8.040 -0.261 11.995 1.00 0.00 O ATOM 167 C3' DG B 9 8.770 -2.098 10.684 1.00 0.00 C ATOM 168 O3' DG B 9 8.514 -3.291 11.414 1.00 0.00 O ATOM 169 C2' DG B 9 7.492 -1.499 10.137 1.00 0.00 C ATOM 170 C1' DG B 9 6.915 -0.884 11.395 1.00 0.00 C ATOM 171 N9 DG B 9 5.905 0.108 11.024 1.00 0.00 N ATOM 172 C8 DG B 9 6.125 1.278 10.373 1.00 0.00 C ATOM 173 N7 DG B 9 5.044 1.961 10.112 1.00 0.00 N ATOM 174 C5 DG B 9 4.019 1.140 10.592 1.00 0.00 C ATOM 175 C6 DG B 9 2.598 1.275 10.525 1.00 0.00 C ATOM 176 O6 DG B 9 1.943 2.230 10.114 1.00 0.00 O ATOM 177 N1 DG B 9 1.927 0.142 10.969 1.00 0.00 N ATOM 178 C2 DG B 9 2.551 -0.988 11.441 1.00 0.00 C ATOM 179 N2 DG B 9 1.827 -2.074 11.670 1.00 0.00 N ATOM 180 N3 DG B 9 3.874 -1.112 11.538 1.00 0.00 N ATOM 181 C4 DG B 9 4.545 -0.020 11.102 1.00 0.00 C ATOM 0 H5' DG B 9 10.061 0.178 10.054 1.00 0.00 H new ATOM 0 H5'' DG B 9 10.367 0.822 11.655 1.00 0.00 H new ATOM 0 H4' DG B 9 9.649 -1.460 12.540 1.00 0.00 H new ATOM 0 H3' DG B 9 9.493 -2.365 9.913 1.00 0.00 H new ATOM 0 H2' DG B 9 7.681 -0.757 9.362 1.00 0.00 H new ATOM 0 H2'' DG B 9 6.833 -2.252 9.704 1.00 0.00 H new ATOM 0 HO5' DG B 9 12.245 -0.185 10.740 1.00 0.00 H new ATOM 0 H1' DG B 9 6.429 -1.598 12.060 1.00 0.00 H new ATOM 0 H8 DG B 9 7.112 1.616 10.094 1.00 0.00 H new ATOM 0 H1 DG B 9 0.907 0.149 10.943 1.00 0.00 H new ATOM 0 H21 DG B 9 2.275 -2.921 12.020 1.00 0.00 H new ATOM 0 H22 DG B 9 0.822 -2.063 11.496 1.00 0.00 H new ATOM 182 P DT B 10 8.139 -4.698 10.708 1.00 0.00 P ATOM 183 OP1 DT B 10 9.223 -5.656 11.007 1.00 0.00 O ATOM 184 OP2 DT B 10 7.767 -4.437 9.299 1.00 0.00 O ATOM 185 O5' DT B 10 6.805 -5.178 11.499 1.00 0.00 O ATOM 186 C5' DT B 10 5.602 -4.423 11.474 1.00 0.00 C ATOM 187 C4' DT B 10 4.378 -5.169 10.915 1.00 0.00 C ATOM 188 O4' DT B 10 3.398 -4.168 10.662 1.00 0.00 O ATOM 189 C3' DT B 10 4.652 -5.896 9.590 1.00 0.00 C ATOM 190 O3' DT B 10 4.194 -7.243 9.478 1.00 0.00 O ATOM 191 C2' DT B 10 4.086 -4.956 8.544 1.00 0.00 C ATOM 192 C1' DT B 10 2.961 -4.262 9.319 1.00 0.00 C ATOM 193 N1 DT B 10 2.612 -2.926 8.769 1.00 0.00 N ATOM 194 C2 DT B 10 1.269 -2.576 8.599 1.00 0.00 C ATOM 195 O2 DT B 10 0.331 -3.310 8.894 1.00 0.00 O ATOM 196 N3 DT B 10 1.018 -1.328 8.058 1.00 0.00 N ATOM 197 C4 DT B 10 1.986 -0.452 7.606 1.00 0.00 C ATOM 198 O4 DT B 10 1.665 0.581 7.025 1.00 0.00 O ATOM 199 C5 DT B 10 3.353 -0.854 7.870 1.00 0.00 C ATOM 200 C7 DT B 10 4.492 0.039 7.418 1.00 0.00 C ATOM 201 C6 DT B 10 3.614 -2.053 8.438 1.00 0.00 C ATOM 0 H5' DT B 10 5.766 -3.526 10.877 1.00 0.00 H new ATOM 0 H5'' DT B 10 5.376 -4.094 12.488 1.00 0.00 H new ATOM 0 H4' DT B 10 4.074 -5.929 11.635 1.00 0.00 H new ATOM 0 H3' DT B 10 5.720 -6.079 9.475 1.00 0.00 H new ATOM 0 H2' DT B 10 4.832 -4.247 8.185 1.00 0.00 H new ATOM 0 H2'' DT B 10 3.711 -5.493 7.673 1.00 0.00 H new ATOM 0 H1' DT B 10 2.043 -4.844 9.236 1.00 0.00 H new ATOM 0 H3 DT B 10 0.044 -1.032 7.987 1.00 0.00 H new ATOM 0 H71 DT B 10 5.338 -0.079 8.096 1.00 0.00 H new ATOM 0 H72 DT B 10 4.794 -0.240 6.409 1.00 0.00 H new ATOM 0 H73 DT B 10 4.164 1.078 7.425 1.00 0.00 H new ATOM 0 H6 DT B 10 4.639 -2.329 8.636 1.00 0.00 H new ATOM 202 P DA B 11 2.671 -7.756 9.683 1.00 0.00 P ATOM 203 OP1 DA B 11 2.074 -7.080 10.853 1.00 0.00 O ATOM 204 OP2 DA B 11 2.697 -9.235 9.648 1.00 0.00 O ATOM 205 O5' DA B 11 1.862 -7.274 8.376 1.00 0.00 O ATOM 206 C5' DA B 11 0.490 -7.601 8.258 1.00 0.00 C ATOM 207 C4' DA B 11 -0.121 -7.241 6.900 1.00 0.00 C ATOM 208 O4' DA B 11 -0.241 -5.836 6.723 1.00 0.00 O ATOM 209 C3' DA B 11 0.650 -7.797 5.694 1.00 0.00 C ATOM 210 O3' DA B 11 -0.199 -8.693 4.993 1.00 0.00 O ATOM 211 C2' DA B 11 1.008 -6.528 4.916 1.00 0.00 C ATOM 212 C1' DA B 11 -0.076 -5.542 5.348 1.00 0.00 C ATOM 213 N9 DA B 11 0.318 -4.126 5.180 1.00 0.00 N ATOM 214 C8 DA B 11 1.532 -3.552 5.434 1.00 0.00 C ATOM 215 N7 DA B 11 1.580 -2.263 5.244 1.00 0.00 N ATOM 216 C5 DA B 11 0.277 -1.951 4.871 1.00 0.00 C ATOM 217 C6 DA B 11 -0.378 -0.740 4.578 1.00 0.00 C ATOM 218 N6 DA B 11 0.224 0.442 4.686 1.00 0.00 N ATOM 219 N1 DA B 11 -1.677 -0.761 4.243 1.00 0.00 N ATOM 220 C2 DA B 11 -2.297 -1.937 4.200 1.00 0.00 C ATOM 221 N3 DA B 11 -1.808 -3.140 4.469 1.00 0.00 N ATOM 222 C4 DA B 11 -0.498 -3.080 4.812 1.00 0.00 C ATOM 0 H5' DA B 11 -0.065 -7.086 9.043 1.00 0.00 H new ATOM 0 H5'' DA B 11 0.366 -8.670 8.429 1.00 0.00 H new ATOM 0 H4' DA B 11 -1.103 -7.712 6.928 1.00 0.00 H new ATOM 0 H3' DA B 11 1.546 -8.376 5.918 1.00 0.00 H new ATOM 0 H2' DA B 11 2.005 -6.168 5.169 1.00 0.00 H new ATOM 0 H2'' DA B 11 0.994 -6.697 3.839 1.00 0.00 H new ATOM 0 H1' DA B 11 -0.977 -5.651 4.745 1.00 0.00 H new ATOM 0 H8 DA B 11 2.386 -4.123 5.767 1.00 0.00 H new ATOM 0 H61 DA B 11 -0.287 1.297 4.464 1.00 0.00 H new ATOM 0 H62 DA B 11 1.196 0.493 4.991 1.00 0.00 H new ATOM 0 H2 DA B 11 -3.336 -1.908 3.907 1.00 0.00 H new ATOM 223 P DT B 12 0.163 -9.314 3.549 1.00 0.00 P ATOM 224 OP1 DT B 12 -0.472 -10.644 3.434 1.00 0.00 O ATOM 225 OP2 DT B 12 1.617 -9.170 3.308 1.00 0.00 O ATOM 226 O5' DT B 12 -0.619 -8.295 2.583 1.00 0.00 O ATOM 227 C5' DT B 12 -2.036 -8.249 2.585 1.00 0.00 C ATOM 228 C4' DT B 12 -2.544 -7.062 1.761 1.00 0.00 C ATOM 229 O4' DT B 12 -2.021 -5.831 2.253 1.00 0.00 O ATOM 230 C3' DT B 12 -2.164 -7.179 0.281 1.00 0.00 C ATOM 231 O3' DT B 12 -3.221 -6.879 -0.602 1.00 0.00 O ATOM 232 C2' DT B 12 -1.165 -6.067 0.168 1.00 0.00 C ATOM 233 C1' DT B 12 -1.754 -5.037 1.118 1.00 0.00 C ATOM 234 N1 DT B 12 -0.808 -3.928 1.384 1.00 0.00 N ATOM 235 C2 DT B 12 -1.257 -2.623 1.220 1.00 0.00 C ATOM 236 O2 DT B 12 -2.409 -2.328 0.919 1.00 0.00 O ATOM 237 N3 DT B 12 -0.322 -1.631 1.412 1.00 0.00 N ATOM 238 C4 DT B 12 1.004 -1.803 1.737 1.00 0.00 C ATOM 239 O4 DT B 12 1.712 -0.815 1.917 1.00 0.00 O ATOM 240 C5 DT B 12 1.403 -3.194 1.886 1.00 0.00 C ATOM 241 C7 DT B 12 2.833 -3.539 2.256 1.00 0.00 C ATOM 242 C6 DT B 12 0.496 -4.190 1.711 1.00 0.00 C ATOM 0 H5' DT B 12 -2.400 -8.169 3.609 1.00 0.00 H new ATOM 0 H5'' DT B 12 -2.435 -9.178 2.177 1.00 0.00 H new ATOM 0 H4' DT B 12 -3.630 -7.076 1.856 1.00 0.00 H new ATOM 0 H3' DT B 12 -1.840 -8.187 0.023 1.00 0.00 H new ATOM 0 H2' DT B 12 -0.166 -6.380 0.470 1.00 0.00 H new ATOM 0 H2'' DT B 12 -1.086 -5.688 -0.851 1.00 0.00 H new ATOM 0 H1' DT B 12 -2.635 -4.519 0.740 1.00 0.00 H new ATOM 0 H3 DT B 12 -0.645 -0.670 1.302 1.00 0.00 H new ATOM 0 H71 DT B 12 2.848 -4.470 2.822 1.00 0.00 H new ATOM 0 H72 DT B 12 3.425 -3.657 1.349 1.00 0.00 H new ATOM 0 H73 DT B 12 3.255 -2.738 2.863 1.00 0.00 H new ATOM 0 H6 DT B 12 0.811 -5.216 1.833 1.00 0.00 H new ATOM 243 P DA B 13 -4.292 -7.976 -1.060 1.00 0.00 P ATOM 244 OP1 DA B 13 -4.874 -8.616 0.140 1.00 0.00 O ATOM 245 OP2 DA B 13 -3.685 -8.802 -2.127 1.00 0.00 O ATOM 246 O5' DA B 13 -5.393 -7.009 -1.721 1.00 0.00 O ATOM 247 C5' DA B 13 -6.377 -6.376 -0.925 1.00 0.00 C ATOM 248 C4' DA B 13 -6.674 -4.957 -1.422 1.00 0.00 C ATOM 249 O4' DA B 13 -5.563 -4.124 -1.140 1.00 0.00 O ATOM 250 C3' DA B 13 -6.986 -4.885 -2.918 1.00 0.00 C ATOM 251 O3' DA B 13 -8.241 -4.247 -3.096 1.00 0.00 O ATOM 252 C2' DA B 13 -5.802 -4.118 -3.461 1.00 0.00 C ATOM 253 C1' DA B 13 -5.253 -3.340 -2.273 1.00 0.00 C ATOM 254 N9 DA B 13 -3.788 -3.229 -2.339 1.00 0.00 N ATOM 255 C8 DA B 13 -2.897 -4.263 -2.423 1.00 0.00 C ATOM 256 N7 DA B 13 -1.648 -3.909 -2.309 1.00 0.00 N ATOM 257 C5 DA B 13 -1.728 -2.537 -2.126 1.00 0.00 C ATOM 258 C6 DA B 13 -0.752 -1.557 -1.911 1.00 0.00 C ATOM 259 N6 DA B 13 0.535 -1.871 -1.774 1.00 0.00 N ATOM 260 N1 DA B 13 -1.125 -0.274 -1.850 1.00 0.00 N ATOM 261 C2 DA B 13 -2.413 0.028 -1.979 1.00 0.00 C ATOM 262 N3 DA B 13 -3.437 -0.802 -2.144 1.00 0.00 N ATOM 263 C4 DA B 13 -3.023 -2.096 -2.192 1.00 0.00 C ATOM 0 H5' DA B 13 -6.039 -6.337 0.110 1.00 0.00 H new ATOM 0 H5'' DA B 13 -7.293 -6.967 -0.939 1.00 0.00 H new ATOM 0 H4' DA B 13 -7.568 -4.621 -0.897 1.00 0.00 H new ATOM 0 H3' DA B 13 -7.094 -5.839 -3.435 1.00 0.00 H new ATOM 0 H2' DA B 13 -5.050 -4.792 -3.872 1.00 0.00 H new ATOM 0 H2'' DA B 13 -6.103 -3.448 -4.266 1.00 0.00 H new ATOM 0 H1' DA B 13 -5.675 -2.335 -2.250 1.00 0.00 H new ATOM 0 H8 DA B 13 -3.203 -5.288 -2.572 1.00 0.00 H new ATOM 0 H61 DA B 13 1.225 -1.136 -1.618 1.00 0.00 H new ATOM 0 H62 DA B 13 0.830 -2.846 -1.825 1.00 0.00 H new ATOM 0 H2 DA B 13 -2.658 1.079 -1.945 1.00 0.00 H new ATOM 264 P DT B 14 -8.910 -4.003 -4.545 1.00 0.00 P ATOM 265 OP1 DT B 14 -10.343 -3.698 -4.342 1.00 0.00 O ATOM 266 OP2 DT B 14 -8.508 -5.108 -5.442 1.00 0.00 O ATOM 267 O5' DT B 14 -8.173 -2.658 -5.026 1.00 0.00 O ATOM 268 C5' DT B 14 -8.351 -1.461 -4.301 1.00 0.00 C ATOM 269 C4' DT B 14 -7.360 -0.372 -4.722 1.00 0.00 C ATOM 270 O4' DT B 14 -6.001 -0.685 -4.509 1.00 0.00 O ATOM 271 C3' DT B 14 -7.520 0.057 -6.182 1.00 0.00 C ATOM 272 O3' DT B 14 -7.884 1.428 -6.120 1.00 0.00 O ATOM 273 C2' DT B 14 -6.126 -0.220 -6.746 1.00 0.00 C ATOM 274 C1' DT B 14 -5.258 -0.012 -5.512 1.00 0.00 C ATOM 275 N1 DT B 14 -3.912 -0.624 -5.562 1.00 0.00 N ATOM 276 C2 DT B 14 -2.793 0.158 -5.282 1.00 0.00 C ATOM 277 O2 DT B 14 -2.815 1.383 -5.219 1.00 0.00 O ATOM 278 N3 DT B 14 -1.605 -0.515 -5.084 1.00 0.00 N ATOM 279 C4 DT B 14 -1.428 -1.878 -5.209 1.00 0.00 C ATOM 280 O4 DT B 14 -0.320 -2.364 -5.000 1.00 0.00 O ATOM 281 C5 DT B 14 -2.632 -2.626 -5.528 1.00 0.00 C ATOM 282 C7 DT B 14 -2.554 -4.127 -5.731 1.00 0.00 C ATOM 283 C6 DT B 14 -3.817 -1.982 -5.672 1.00 0.00 C ATOM 0 H5' DT B 14 -8.234 -1.663 -3.236 1.00 0.00 H new ATOM 0 H5'' DT B 14 -9.369 -1.099 -4.447 1.00 0.00 H new ATOM 0 H4' DT B 14 -7.626 0.450 -4.057 1.00 0.00 H new ATOM 0 H3' DT B 14 -8.268 -0.439 -6.801 1.00 0.00 H new ATOM 0 H2' DT B 14 -6.037 -1.230 -7.145 1.00 0.00 H new ATOM 0 H2'' DT B 14 -5.865 0.465 -7.552 1.00 0.00 H new ATOM 0 H1' DT B 14 -5.067 1.052 -5.370 1.00 0.00 H new ATOM 0 H3 DT B 14 -0.790 0.041 -4.824 1.00 0.00 H new ATOM 0 H71 DT B 14 -3.499 -4.584 -5.436 1.00 0.00 H new ATOM 0 H72 DT B 14 -2.360 -4.342 -6.782 1.00 0.00 H new ATOM 0 H73 DT B 14 -1.748 -4.535 -5.122 1.00 0.00 H new ATOM 0 H6 DT B 14 -4.707 -2.557 -5.879 1.00 0.00 H new ATOM 284 P DA B 15 -8.459 2.266 -7.363 1.00 0.00 P ATOM 285 OP1 DA B 15 -9.284 3.371 -6.829 1.00 0.00 O ATOM 286 OP2 DA B 15 -9.045 1.324 -8.342 1.00 0.00 O ATOM 287 O5' DA B 15 -7.120 2.898 -7.981 1.00 0.00 O ATOM 288 C5' DA B 15 -6.720 2.569 -9.289 1.00 0.00 C ATOM 289 C4' DA B 15 -5.312 3.085 -9.584 1.00 0.00 C ATOM 290 O4' DA B 15 -4.360 2.535 -8.683 1.00 0.00 O ATOM 291 C3' DA B 15 -4.931 2.664 -11.001 1.00 0.00 C ATOM 292 O3' DA B 15 -4.787 3.808 -11.829 1.00 0.00 O ATOM 293 C2' DA B 15 -3.642 1.918 -10.767 1.00 0.00 C ATOM 294 C1' DA B 15 -3.156 2.340 -9.392 1.00 0.00 C ATOM 295 N9 DA B 15 -2.354 1.267 -8.782 1.00 0.00 N ATOM 296 C8 DA B 15 -2.716 -0.041 -8.727 1.00 0.00 C ATOM 297 N7 DA B 15 -1.783 -0.855 -8.318 1.00 0.00 N ATOM 298 C5 DA B 15 -0.733 0.011 -8.022 1.00 0.00 C ATOM 299 C6 DA B 15 0.565 -0.196 -7.522 1.00 0.00 C ATOM 300 N6 DA B 15 1.046 -1.414 -7.287 1.00 0.00 N ATOM 301 N1 DA B 15 1.338 0.865 -7.247 1.00 0.00 N ATOM 302 C2 DA B 15 0.853 2.081 -7.478 1.00 0.00 C ATOM 303 N3 DA B 15 -0.324 2.414 -7.999 1.00 0.00 N ATOM 304 C4 DA B 15 -1.085 1.317 -8.249 1.00 0.00 C ATOM 0 H5' DA B 15 -7.423 2.995 -10.005 1.00 0.00 H new ATOM 0 H5'' DA B 15 -6.748 1.487 -9.419 1.00 0.00 H new ATOM 0 H4' DA B 15 -5.310 4.169 -9.474 1.00 0.00 H new ATOM 0 H3' DA B 15 -5.668 2.052 -11.522 1.00 0.00 H new ATOM 0 H2' DA B 15 -3.802 0.841 -10.810 1.00 0.00 H new ATOM 0 H2'' DA B 15 -2.906 2.162 -11.533 1.00 0.00 H new ATOM 0 H1' DA B 15 -2.517 3.223 -9.403 1.00 0.00 H new ATOM 0 H8 DA B 15 -3.703 -0.382 -9.002 1.00 0.00 H new ATOM 0 H61 DA B 15 1.992 -1.527 -6.924 1.00 0.00 H new ATOM 0 H62 DA B 15 0.468 -2.234 -7.470 1.00 0.00 H new ATOM 0 H2 DA B 15 1.498 2.904 -7.208 1.00 0.00 H new ATOM 305 P DC B 16 -4.467 3.703 -13.410 1.00 0.00 P ATOM 306 OP1 DC B 16 -4.881 4.973 -14.044 1.00 0.00 O ATOM 307 OP2 DC B 16 -5.012 2.420 -13.904 1.00 0.00 O ATOM 308 O5' DC B 16 -2.857 3.624 -13.447 1.00 0.00 O ATOM 309 C5' DC B 16 -2.072 4.768 -13.169 1.00 0.00 C ATOM 310 C4' DC B 16 -0.607 4.392 -12.909 1.00 0.00 C ATOM 311 O4' DC B 16 -0.477 3.487 -11.827 1.00 0.00 O ATOM 312 C3' DC B 16 0.084 3.693 -14.076 1.00 0.00 C ATOM 313 O3' DC B 16 0.547 4.603 -15.051 1.00 0.00 O ATOM 314 C2' DC B 16 1.251 3.004 -13.368 1.00 0.00 C ATOM 315 C1' DC B 16 0.824 2.922 -11.893 1.00 0.00 C ATOM 316 N1 DC B 16 0.828 1.513 -11.410 1.00 0.00 N ATOM 317 C2 DC B 16 1.962 1.013 -10.777 1.00 0.00 C ATOM 318 O2 DC B 16 2.940 1.725 -10.564 1.00 0.00 O ATOM 319 N3 DC B 16 1.994 -0.300 -10.408 1.00 0.00 N ATOM 320 C4 DC B 16 0.946 -1.096 -10.649 1.00 0.00 C ATOM 321 N4 DC B 16 1.012 -2.363 -10.260 1.00 0.00 N ATOM 322 C5 DC B 16 -0.232 -0.610 -11.293 1.00 0.00 C ATOM 323 C6 DC B 16 -0.236 0.691 -11.656 1.00 0.00 C ATOM 0 H5' DC B 16 -2.476 5.286 -12.299 1.00 0.00 H new ATOM 0 H5'' DC B 16 -2.128 5.462 -14.008 1.00 0.00 H new ATOM 0 H4' DC B 16 -0.142 5.359 -12.716 1.00 0.00 H new ATOM 0 H3' DC B 16 -0.573 3.022 -14.629 1.00 0.00 H new ATOM 0 H2' DC B 16 1.435 2.013 -13.782 1.00 0.00 H new ATOM 0 H2'' DC B 16 2.174 3.573 -13.481 1.00 0.00 H new ATOM 0 HO3' DC B 16 0.983 4.110 -15.777 1.00 0.00 H new ATOM 0 H1' DC B 16 1.519 3.463 -11.250 1.00 0.00 H new ATOM 0 H41 DC B 16 0.227 -2.991 -10.432 1.00 0.00 H new ATOM 0 H42 DC B 16 1.848 -2.709 -9.789 1.00 0.00 H new ATOM 0 H5 DC B 16 -1.080 -1.252 -11.481 1.00 0.00 H new ATOM 0 H6 DC B 16 -1.105 1.093 -12.155 1.00 0.00 H new TER 324 DC B 16