USER MOD reduce.3.24.130724 H: found=0, std=0, add=173, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 173 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 180:sc= 0 USER MOD Single : A 3 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 4 DT C7 :methyl -30:sc=-0.000786 (180deg=-0.806) USER MOD Single : A 7 DT C7 :methyl 150:sc= -1.36 (180deg=-1.36) USER MOD Single : A 9 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 12 DT C7 :methyl 150:sc= 0 (180deg=0) USER MOD Single : A 13 DT C7 :methyl -30:sc= -0.637 (180deg=-3.13!) USER MOD Single : A 15 DG O3' : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -4.036 8.618 -0.076 1.00 0.00 O ATOM 2 C5' DG A 1 -2.634 8.713 0.191 1.00 0.00 C ATOM 3 C4' DG A 1 -2.347 8.900 1.691 1.00 0.00 C ATOM 4 O4' DG A 1 -2.817 7.793 2.482 1.00 0.00 O ATOM 5 C3' DG A 1 -0.869 9.030 2.009 1.00 0.00 C ATOM 6 O3' DG A 1 -0.626 9.833 3.170 1.00 0.00 O ATOM 7 C2' DG A 1 -0.495 7.607 2.257 1.00 0.00 C ATOM 8 C1' DG A 1 -1.666 7.140 3.053 1.00 0.00 C ATOM 9 N9 DG A 1 -1.749 5.677 3.052 1.00 0.00 N ATOM 10 C8 DG A 1 -1.370 4.818 4.019 1.00 0.00 C ATOM 11 N7 DG A 1 -1.542 3.550 3.771 1.00 0.00 N ATOM 12 C5 DG A 1 -2.097 3.583 2.489 1.00 0.00 C ATOM 13 C6 DG A 1 -2.515 2.518 1.648 1.00 0.00 C ATOM 14 O6 DG A 1 -2.473 1.315 1.882 1.00 0.00 O ATOM 15 N1 DG A 1 -3.017 2.983 0.438 1.00 0.00 N ATOM 16 C2 DG A 1 -3.105 4.318 0.083 1.00 0.00 C ATOM 17 N2 DG A 1 -3.607 4.612 -1.112 1.00 0.00 N ATOM 18 N3 DG A 1 -2.714 5.316 0.872 1.00 0.00 N ATOM 19 C4 DG A 1 -2.225 4.878 2.049 1.00 0.00 C ATOM 0 H5' DG A 1 -2.214 9.551 -0.366 1.00 0.00 H new ATOM 0 H5'' DG A 1 -2.135 7.812 -0.165 1.00 0.00 H new ATOM 0 H4' DG A 1 -2.875 9.821 1.938 1.00 0.00 H new ATOM 0 H3' DG A 1 -0.300 9.522 1.220 1.00 0.00 H new ATOM 0 H2' DG A 1 -0.375 7.045 1.331 1.00 0.00 H new ATOM 0 H2'' DG A 1 0.441 7.517 2.808 1.00 0.00 H new ATOM 0 HO5' DG A 1 -4.179 8.501 -1.039 1.00 0.00 H new ATOM 0 H1' DG A 1 -1.587 7.403 4.108 1.00 0.00 H new ATOM 0 H8 DG A 1 -0.946 5.162 4.951 1.00 0.00 H new ATOM 0 H1 DG A 1 -3.344 2.291 -0.236 1.00 0.00 H new ATOM 0 H21 DG A 1 -3.687 5.585 -1.406 1.00 0.00 H new ATOM 0 H22 DG A 1 -3.913 3.864 -1.735 1.00 0.00 H new ATOM 32 P DG A 2 0.597 10.883 3.219 1.00 0.00 P ATOM 33 OP1 DG A 2 0.516 11.596 4.515 1.00 0.00 O ATOM 34 OP2 DG A 2 0.583 11.658 1.958 1.00 0.00 O ATOM 35 O5' DG A 2 1.921 9.947 3.219 1.00 0.00 O ATOM 36 C5' DG A 2 2.673 9.679 4.412 1.00 0.00 C ATOM 37 C4' DG A 2 3.768 8.625 4.213 1.00 0.00 C ATOM 38 O4' DG A 2 3.235 7.337 3.902 1.00 0.00 O ATOM 39 C3' DG A 2 4.849 8.969 3.194 1.00 0.00 C ATOM 40 O3' DG A 2 6.093 8.898 3.903 1.00 0.00 O ATOM 41 C2' DG A 2 4.704 7.831 2.202 1.00 0.00 C ATOM 42 C1' DG A 2 4.144 6.683 3.019 1.00 0.00 C ATOM 43 N9 DG A 2 3.300 5.772 2.249 1.00 0.00 N ATOM 44 C8 DG A 2 2.457 6.081 1.248 1.00 0.00 C ATOM 45 N7 DG A 2 1.781 5.101 0.738 1.00 0.00 N ATOM 46 C5 DG A 2 2.228 4.019 1.490 1.00 0.00 C ATOM 47 C6 DG A 2 1.861 2.657 1.414 1.00 0.00 C ATOM 48 O6 DG A 2 1.051 2.138 0.653 1.00 0.00 O ATOM 49 N1 DG A 2 2.546 1.900 2.350 1.00 0.00 N ATOM 50 C2 DG A 2 3.472 2.388 3.248 1.00 0.00 C ATOM 51 N2 DG A 2 4.029 1.507 4.074 1.00 0.00 N ATOM 52 N3 DG A 2 3.819 3.672 3.320 1.00 0.00 N ATOM 53 C4 DG A 2 3.159 4.423 2.415 1.00 0.00 C ATOM 0 H5' DG A 2 1.993 9.343 5.195 1.00 0.00 H new ATOM 0 H5'' DG A 2 3.129 10.605 4.762 1.00 0.00 H new ATOM 0 H4' DG A 2 4.256 8.610 5.188 1.00 0.00 H new ATOM 0 H3' DG A 2 4.789 9.944 2.710 1.00 0.00 H new ATOM 0 H2' DG A 2 4.035 8.100 1.385 1.00 0.00 H new ATOM 0 H2'' DG A 2 5.663 7.569 1.755 1.00 0.00 H new ATOM 0 H1' DG A 2 4.963 6.109 3.452 1.00 0.00 H new ATOM 0 H8 DG A 2 2.349 7.094 0.888 1.00 0.00 H new ATOM 0 H1 DG A 2 2.349 0.899 2.377 1.00 0.00 H new ATOM 0 H21 DG A 2 4.720 1.815 4.758 1.00 0.00 H new ATOM 0 H22 DG A 2 3.765 0.523 4.024 1.00 0.00 H new ATOM 65 P DT A 3 7.139 10.118 4.010 1.00 0.00 P ATOM 66 OP1 DT A 3 8.102 9.808 5.090 1.00 0.00 O ATOM 67 OP2 DT A 3 6.388 11.394 4.029 1.00 0.00 O ATOM 68 O5' DT A 3 7.895 9.971 2.603 1.00 0.00 O ATOM 69 C5' DT A 3 8.284 11.053 1.749 1.00 0.00 C ATOM 70 C4' DT A 3 8.512 10.509 0.339 1.00 0.00 C ATOM 71 O4' DT A 3 9.466 9.443 0.427 1.00 0.00 O ATOM 72 C3' DT A 3 7.229 9.867 -0.199 1.00 0.00 C ATOM 73 O3' DT A 3 6.511 10.745 -1.072 1.00 0.00 O ATOM 74 C2' DT A 3 7.726 8.635 -0.935 1.00 0.00 C ATOM 75 C1' DT A 3 9.207 8.525 -0.644 1.00 0.00 C ATOM 76 N1 DT A 3 9.613 7.151 -0.246 1.00 0.00 N ATOM 77 C2 DT A 3 10.323 6.379 -1.160 1.00 0.00 C ATOM 78 O2 DT A 3 10.619 6.775 -2.286 1.00 0.00 O ATOM 79 N3 DT A 3 10.685 5.114 -0.731 1.00 0.00 N ATOM 80 C4 DT A 3 10.409 4.558 0.508 1.00 0.00 C ATOM 81 O4 DT A 3 10.788 3.419 0.773 1.00 0.00 O ATOM 82 C5 DT A 3 9.666 5.430 1.393 1.00 0.00 C ATOM 83 C7 DT A 3 9.293 4.952 2.800 1.00 0.00 C ATOM 84 C6 DT A 3 9.299 6.666 1.000 1.00 0.00 C ATOM 0 H5' DT A 3 9.194 11.522 2.124 1.00 0.00 H new ATOM 0 H5'' DT A 3 7.511 11.821 1.737 1.00 0.00 H new ATOM 0 H4' DT A 3 8.838 11.328 -0.303 1.00 0.00 H new ATOM 0 H3' DT A 3 6.521 9.631 0.595 1.00 0.00 H new ATOM 0 H2' DT A 3 7.198 7.743 -0.598 1.00 0.00 H new ATOM 0 H2'' DT A 3 7.547 8.726 -2.006 1.00 0.00 H new ATOM 0 H1' DT A 3 9.780 8.756 -1.542 1.00 0.00 H new ATOM 0 H3 DT A 3 11.205 4.535 -1.390 1.00 0.00 H new ATOM 0 H71 DT A 3 9.243 5.808 3.474 1.00 0.00 H new ATOM 0 H72 DT A 3 8.323 4.456 2.771 1.00 0.00 H new ATOM 0 H73 DT A 3 10.048 4.252 3.158 1.00 0.00 H new ATOM 0 H6 DT A 3 8.743 7.291 1.683 1.00 0.00 H new ATOM 97 P DT A 4 4.904 10.667 -1.191 1.00 0.00 P ATOM 98 OP1 DT A 4 4.455 11.801 -2.030 1.00 0.00 O ATOM 99 OP2 DT A 4 4.348 10.501 0.172 1.00 0.00 O ATOM 100 O5' DT A 4 4.641 9.292 -1.998 1.00 0.00 O ATOM 101 C5' DT A 4 4.690 9.195 -3.428 1.00 0.00 C ATOM 102 C4' DT A 4 3.926 7.952 -3.918 1.00 0.00 C ATOM 103 O4' DT A 4 4.467 6.677 -3.610 1.00 0.00 O ATOM 104 C3' DT A 4 2.454 7.929 -3.516 1.00 0.00 C ATOM 105 O3' DT A 4 1.524 7.943 -4.604 1.00 0.00 O ATOM 106 C2' DT A 4 2.355 6.624 -2.823 1.00 0.00 C ATOM 107 C1' DT A 4 3.362 5.757 -3.505 1.00 0.00 C ATOM 108 N1 DT A 4 3.754 4.666 -2.610 1.00 0.00 N ATOM 109 C2 DT A 4 3.253 3.388 -2.773 1.00 0.00 C ATOM 110 O2 DT A 4 2.464 3.077 -3.665 1.00 0.00 O ATOM 111 N3 DT A 4 3.707 2.462 -1.853 1.00 0.00 N ATOM 112 C4 DT A 4 4.594 2.707 -0.813 1.00 0.00 C ATOM 113 O4 DT A 4 4.910 1.787 -0.061 1.00 0.00 O ATOM 114 C5 DT A 4 5.062 4.082 -0.732 1.00 0.00 C ATOM 115 C7 DT A 4 6.058 4.488 0.367 1.00 0.00 C ATOM 116 C6 DT A 4 4.623 4.993 -1.630 1.00 0.00 C ATOM 0 H5' DT A 4 5.728 9.143 -3.758 1.00 0.00 H new ATOM 0 H5'' DT A 4 4.258 10.092 -3.873 1.00 0.00 H new ATOM 0 H4' DT A 4 4.043 8.095 -4.992 1.00 0.00 H new ATOM 0 H3' DT A 4 2.197 8.818 -2.940 1.00 0.00 H new ATOM 0 H2' DT A 4 2.572 6.723 -1.759 1.00 0.00 H new ATOM 0 H2'' DT A 4 1.352 6.206 -2.906 1.00 0.00 H new ATOM 0 H1' DT A 4 3.024 5.312 -4.441 1.00 0.00 H new ATOM 0 H3 DT A 4 3.357 1.508 -1.947 1.00 0.00 H new ATOM 0 H71 DT A 4 5.903 3.864 1.247 1.00 0.00 H new ATOM 0 H72 DT A 4 7.076 4.355 0.002 1.00 0.00 H new ATOM 0 H73 DT A 4 5.901 5.534 0.632 1.00 0.00 H new ATOM 0 H6 DT A 4 4.978 6.011 -1.561 1.00 0.00 H new ATOM 129 P DG A 5 1.145 9.253 -5.453 1.00 0.00 P ATOM 130 OP1 DG A 5 2.200 9.482 -6.465 1.00 0.00 O ATOM 131 OP2 DG A 5 0.771 10.331 -4.511 1.00 0.00 O ATOM 132 O5' DG A 5 -0.185 8.747 -6.211 1.00 0.00 O ATOM 133 C5' DG A 5 -1.452 8.626 -5.549 1.00 0.00 C ATOM 134 C4' DG A 5 -2.274 7.506 -6.182 1.00 0.00 C ATOM 135 O4' DG A 5 -1.624 6.231 -6.034 1.00 0.00 O ATOM 136 C3' DG A 5 -3.691 7.278 -5.668 1.00 0.00 C ATOM 137 O3' DG A 5 -4.541 7.116 -6.817 1.00 0.00 O ATOM 138 C2' DG A 5 -3.569 6.074 -4.806 1.00 0.00 C ATOM 139 C1' DG A 5 -2.603 5.262 -5.634 1.00 0.00 C ATOM 140 N9 DG A 5 -1.942 4.151 -4.942 1.00 0.00 N ATOM 141 C8 DG A 5 -1.785 2.892 -5.385 1.00 0.00 C ATOM 142 N7 DG A 5 -1.134 2.069 -4.604 1.00 0.00 N ATOM 143 C5 DG A 5 -0.833 2.901 -3.516 1.00 0.00 C ATOM 144 C6 DG A 5 -0.130 2.624 -2.313 1.00 0.00 C ATOM 145 O6 DG A 5 0.376 1.571 -1.951 1.00 0.00 O ATOM 146 N1 DG A 5 -0.048 3.732 -1.490 1.00 0.00 N ATOM 147 C2 DG A 5 -0.580 4.968 -1.781 1.00 0.00 C ATOM 148 N2 DG A 5 -0.409 5.917 -0.868 1.00 0.00 N ATOM 149 N3 DG A 5 -1.242 5.241 -2.905 1.00 0.00 N ATOM 150 C4 DG A 5 -1.327 4.166 -3.720 1.00 0.00 C ATOM 0 H5' DG A 5 -1.996 9.568 -5.615 1.00 0.00 H new ATOM 0 H5'' DG A 5 -1.299 8.420 -4.490 1.00 0.00 H new ATOM 0 H4' DG A 5 -2.347 7.868 -7.207 1.00 0.00 H new ATOM 0 H3' DG A 5 -4.131 8.088 -5.086 1.00 0.00 H new ATOM 0 H2' DG A 5 -3.177 6.307 -3.816 1.00 0.00 H new ATOM 0 H2'' DG A 5 -4.523 5.567 -4.660 1.00 0.00 H new ATOM 0 H1' DG A 5 -3.140 4.765 -6.442 1.00 0.00 H new ATOM 0 H8 DG A 5 -2.177 2.575 -6.340 1.00 0.00 H new ATOM 0 H1 DG A 5 0.443 3.626 -0.602 1.00 0.00 H new ATOM 0 H21 DG A 5 -0.782 6.853 -1.029 1.00 0.00 H new ATOM 0 H22 DG A 5 0.095 5.710 -0.006 1.00 0.00 H new ATOM 162 P DG A 6 -6.144 6.950 -6.752 1.00 0.00 P ATOM 163 OP1 DG A 6 -6.708 7.392 -8.047 1.00 0.00 O ATOM 164 OP2 DG A 6 -6.643 7.543 -5.490 1.00 0.00 O ATOM 165 O5' DG A 6 -6.266 5.349 -6.657 1.00 0.00 O ATOM 166 C5' DG A 6 -5.991 4.541 -7.809 1.00 0.00 C ATOM 167 C4' DG A 6 -6.221 3.059 -7.512 1.00 0.00 C ATOM 168 O4' DG A 6 -5.202 2.428 -6.739 1.00 0.00 O ATOM 169 C3' DG A 6 -7.584 2.684 -6.968 1.00 0.00 C ATOM 170 O3' DG A 6 -8.028 1.600 -7.761 1.00 0.00 O ATOM 171 C2' DG A 6 -7.145 2.316 -5.590 1.00 0.00 C ATOM 172 C1' DG A 6 -5.867 1.584 -5.802 1.00 0.00 C ATOM 173 N9 DG A 6 -5.094 1.488 -4.567 1.00 0.00 N ATOM 174 C8 DG A 6 -4.742 2.530 -3.810 1.00 0.00 C ATOM 175 N7 DG A 6 -4.089 2.284 -2.729 1.00 0.00 N ATOM 176 C5 DG A 6 -3.994 0.906 -2.776 1.00 0.00 C ATOM 177 C6 DG A 6 -3.380 0.049 -1.858 1.00 0.00 C ATOM 178 O6 DG A 6 -2.809 0.365 -0.815 1.00 0.00 O ATOM 179 N1 DG A 6 -3.492 -1.271 -2.252 1.00 0.00 N ATOM 180 C2 DG A 6 -4.123 -1.720 -3.397 1.00 0.00 C ATOM 181 N2 DG A 6 -4.088 -3.038 -3.619 1.00 0.00 N ATOM 182 N3 DG A 6 -4.714 -0.903 -4.273 1.00 0.00 N ATOM 183 C4 DG A 6 -4.608 0.395 -3.900 1.00 0.00 C ATOM 0 H5' DG A 6 -4.960 4.695 -8.127 1.00 0.00 H new ATOM 0 H5'' DG A 6 -6.629 4.852 -8.636 1.00 0.00 H new ATOM 0 H4' DG A 6 -6.171 2.659 -8.525 1.00 0.00 H new ATOM 0 H3' DG A 6 -8.407 3.399 -6.971 1.00 0.00 H new ATOM 0 H2' DG A 6 -7.000 3.199 -4.968 1.00 0.00 H new ATOM 0 H2'' DG A 6 -7.884 1.691 -5.089 1.00 0.00 H new ATOM 0 H1' DG A 6 -6.005 0.556 -6.136 1.00 0.00 H new ATOM 0 H8 DG A 6 -4.996 3.541 -4.094 1.00 0.00 H new ATOM 0 H1 DG A 6 -3.072 -1.975 -1.645 1.00 0.00 H new ATOM 0 H21 DG A 6 -4.537 -3.428 -4.448 1.00 0.00 H new ATOM 0 H22 DG A 6 -3.613 -3.654 -2.959 1.00 0.00 H new ATOM 195 P DT A 7 -9.124 1.752 -8.926 1.00 0.00 P ATOM 196 OP1 DT A 7 -8.488 1.499 -10.237 1.00 0.00 O ATOM 197 OP2 DT A 7 -9.956 2.961 -8.712 1.00 0.00 O ATOM 198 O5' DT A 7 -9.909 0.449 -8.437 1.00 0.00 O ATOM 199 C5' DT A 7 -10.849 0.463 -7.363 1.00 0.00 C ATOM 200 C4' DT A 7 -10.848 -0.824 -6.532 1.00 0.00 C ATOM 201 O4' DT A 7 -10.887 -1.963 -7.383 1.00 0.00 O ATOM 202 C3' DT A 7 -9.754 -1.012 -5.482 1.00 0.00 C ATOM 203 O3' DT A 7 -10.211 -1.863 -4.410 1.00 0.00 O ATOM 204 C2' DT A 7 -8.775 -1.770 -6.342 1.00 0.00 C ATOM 205 C1' DT A 7 -9.682 -2.699 -7.170 1.00 0.00 C ATOM 206 N1 DT A 7 -9.113 -2.953 -8.501 1.00 0.00 N ATOM 207 C2 DT A 7 -8.693 -4.231 -8.821 1.00 0.00 C ATOM 208 O2 DT A 7 -8.750 -5.175 -8.035 1.00 0.00 O ATOM 209 N3 DT A 7 -8.191 -4.390 -10.096 1.00 0.00 N ATOM 210 C4 DT A 7 -8.076 -3.404 -11.058 1.00 0.00 C ATOM 211 O4 DT A 7 -7.609 -3.678 -12.162 1.00 0.00 O ATOM 212 C5 DT A 7 -8.540 -2.096 -10.637 1.00 0.00 C ATOM 213 C7 DT A 7 -8.462 -0.940 -11.649 1.00 0.00 C ATOM 214 C6 DT A 7 -9.032 -1.918 -9.385 1.00 0.00 C ATOM 0 H5' DT A 7 -11.848 0.624 -7.768 1.00 0.00 H new ATOM 0 H5'' DT A 7 -10.630 1.308 -6.710 1.00 0.00 H new ATOM 0 H4' DT A 7 -11.753 -0.714 -5.935 1.00 0.00 H new ATOM 0 H3' DT A 7 -9.395 -0.103 -4.999 1.00 0.00 H new ATOM 0 H2' DT A 7 -8.195 -1.101 -6.978 1.00 0.00 H new ATOM 0 H2'' DT A 7 -8.063 -2.334 -5.740 1.00 0.00 H new ATOM 0 H1' DT A 7 -9.815 -3.648 -6.651 1.00 0.00 H new ATOM 0 H3 DT A 7 -7.874 -5.325 -10.354 1.00 0.00 H new ATOM 0 H71 DT A 7 -9.263 -0.228 -11.450 1.00 0.00 H new ATOM 0 H72 DT A 7 -7.499 -0.439 -11.555 1.00 0.00 H new ATOM 0 H73 DT A 7 -8.569 -1.333 -12.660 1.00 0.00 H new ATOM 0 H6 DT A 7 -9.366 -0.937 -9.083 1.00 0.00 H new ATOM 227 P DG A 8 -10.759 -1.374 -2.965 1.00 0.00 P ATOM 228 OP1 DG A 8 -11.621 -2.445 -2.415 1.00 0.00 O ATOM 229 OP2 DG A 8 -11.297 -0.001 -3.098 1.00 0.00 O ATOM 230 O5' DG A 8 -9.431 -1.285 -2.056 1.00 0.00 O ATOM 231 C5' DG A 8 -8.859 -2.365 -1.299 1.00 0.00 C ATOM 232 C4' DG A 8 -7.870 -1.753 -0.245 1.00 0.00 C ATOM 233 O4' DG A 8 -6.765 -0.886 -0.611 1.00 0.00 O ATOM 234 C3' DG A 8 -8.493 -1.229 1.028 1.00 0.00 C ATOM 235 O3' DG A 8 -7.912 -1.888 2.152 1.00 0.00 O ATOM 236 C2' DG A 8 -8.086 0.191 0.822 1.00 0.00 C ATOM 237 C1' DG A 8 -6.699 0.264 0.269 1.00 0.00 C ATOM 238 N9 DG A 8 -6.783 1.434 -0.609 1.00 0.00 N ATOM 239 C8 DG A 8 -7.077 1.401 -1.922 1.00 0.00 C ATOM 240 N7 DG A 8 -7.131 2.533 -2.531 1.00 0.00 N ATOM 241 C5 DG A 8 -6.840 3.428 -1.508 1.00 0.00 C ATOM 242 C6 DG A 8 -6.750 4.836 -1.554 1.00 0.00 C ATOM 243 O6 DG A 8 -6.901 5.568 -2.530 1.00 0.00 O ATOM 244 N1 DG A 8 -6.432 5.364 -0.318 1.00 0.00 N ATOM 245 C2 DG A 8 -6.225 4.622 0.830 1.00 0.00 C ATOM 246 N2 DG A 8 -5.935 5.291 1.937 1.00 0.00 N ATOM 247 N3 DG A 8 -6.307 3.293 0.881 1.00 0.00 N ATOM 248 C4 DG A 8 -6.618 2.764 -0.320 1.00 0.00 C ATOM 0 H5' DG A 8 -8.333 -3.055 -1.959 1.00 0.00 H new ATOM 0 H5'' DG A 8 -9.642 -2.936 -0.800 1.00 0.00 H new ATOM 0 H4' DG A 8 -7.381 -2.717 -0.104 1.00 0.00 H new ATOM 0 H3' DG A 8 -9.558 -1.369 1.216 1.00 0.00 H new ATOM 0 H2' DG A 8 -8.782 0.679 0.140 1.00 0.00 H new ATOM 0 H2'' DG A 8 -8.135 0.730 1.768 1.00 0.00 H new ATOM 0 H1' DG A 8 -5.853 0.300 0.955 1.00 0.00 H new ATOM 0 H8 DG A 8 -7.259 0.470 -2.439 1.00 0.00 H new ATOM 0 H1 DG A 8 -6.343 6.378 -0.247 1.00 0.00 H new ATOM 0 H21 DG A 8 -5.774 4.788 2.809 1.00 0.00 H new ATOM 0 H22 DG A 8 -5.873 6.309 1.916 1.00 0.00 H new ATOM 260 P DT A 9 -8.251 -3.436 2.513 1.00 0.00 P ATOM 261 OP1 DT A 9 -9.141 -4.027 1.487 1.00 0.00 O ATOM 262 OP2 DT A 9 -8.642 -3.489 3.941 1.00 0.00 O ATOM 263 O5' DT A 9 -6.802 -4.113 2.358 1.00 0.00 O ATOM 264 C5' DT A 9 -6.273 -4.956 1.312 1.00 0.00 C ATOM 265 C4' DT A 9 -4.912 -5.575 1.954 1.00 0.00 C ATOM 266 O4' DT A 9 -4.096 -4.547 2.604 1.00 0.00 O ATOM 267 C3' DT A 9 -4.950 -6.669 3.094 1.00 0.00 C ATOM 268 O3' DT A 9 -3.816 -7.549 2.975 1.00 0.00 O ATOM 269 C2' DT A 9 -4.911 -5.832 4.382 1.00 0.00 C ATOM 270 C1' DT A 9 -3.870 -4.766 4.037 1.00 0.00 C ATOM 271 N1 DT A 9 -3.980 -3.482 4.786 1.00 0.00 N ATOM 272 C2 DT A 9 -3.227 -3.290 5.934 1.00 0.00 C ATOM 273 O2 DT A 9 -2.491 -4.154 6.405 1.00 0.00 O ATOM 274 N3 DT A 9 -3.350 -2.047 6.534 1.00 0.00 N ATOM 275 C4 DT A 9 -4.145 -1.000 6.097 1.00 0.00 C ATOM 276 O4 DT A 9 -4.166 0.065 6.712 1.00 0.00 O ATOM 277 C5 DT A 9 -4.895 -1.293 4.897 1.00 0.00 C ATOM 278 C7 DT A 9 -5.797 -0.206 4.280 1.00 0.00 C ATOM 279 C6 DT A 9 -4.784 -2.501 4.310 1.00 0.00 C ATOM 0 H5' DT A 9 -6.064 -4.385 0.407 1.00 0.00 H new ATOM 0 H5'' DT A 9 -6.978 -5.741 1.038 1.00 0.00 H new ATOM 0 H4' DT A 9 -4.551 -6.040 1.036 1.00 0.00 H new ATOM 0 H3' DT A 9 -5.822 -7.322 3.058 1.00 0.00 H new ATOM 0 H2' DT A 9 -5.882 -5.394 4.614 1.00 0.00 H new ATOM 0 H2'' DT A 9 -4.615 -6.427 5.246 1.00 0.00 H new ATOM 0 H1' DT A 9 -2.873 -5.110 4.310 1.00 0.00 H new ATOM 0 H3 DT A 9 -2.802 -1.887 7.379 1.00 0.00 H new ATOM 0 H71 DT A 9 -5.852 -0.348 3.201 1.00 0.00 H new ATOM 0 H72 DT A 9 -6.797 -0.278 4.707 1.00 0.00 H new ATOM 0 H73 DT A 9 -5.380 0.778 4.496 1.00 0.00 H new ATOM 0 H6 DT A 9 -5.363 -2.696 3.419 1.00 0.00 H new ATOM 292 P DG A 10 -3.945 -8.990 2.229 1.00 0.00 P ATOM 293 OP1 DG A 10 -5.381 -9.339 2.136 1.00 0.00 O ATOM 294 OP2 DG A 10 -3.019 -9.924 2.910 1.00 0.00 O ATOM 295 O5' DG A 10 -3.412 -8.751 0.716 1.00 0.00 O ATOM 296 C5' DG A 10 -2.022 -8.885 0.397 1.00 0.00 C ATOM 297 C4' DG A 10 -1.774 -8.938 -1.153 1.00 0.00 C ATOM 298 O4' DG A 10 -2.184 -7.726 -1.806 1.00 0.00 O ATOM 299 C3' DG A 10 -0.373 -9.214 -1.790 1.00 0.00 C ATOM 300 O3' DG A 10 -0.583 -10.044 -2.955 1.00 0.00 O ATOM 301 C2' DG A 10 0.143 -7.874 -2.242 1.00 0.00 C ATOM 302 C1' DG A 10 -1.178 -7.328 -2.765 1.00 0.00 C ATOM 303 N9 DG A 10 -1.187 -5.879 -2.840 1.00 0.00 N ATOM 304 C8 DG A 10 -1.461 -5.086 -3.886 1.00 0.00 C ATOM 305 N7 DG A 10 -1.441 -3.805 -3.659 1.00 0.00 N ATOM 306 C5 DG A 10 -1.103 -3.765 -2.306 1.00 0.00 C ATOM 307 C6 DG A 10 -0.916 -2.668 -1.441 1.00 0.00 C ATOM 308 O6 DG A 10 -1.013 -1.475 -1.688 1.00 0.00 O ATOM 309 N1 DG A 10 -0.588 -3.055 -0.165 1.00 0.00 N ATOM 310 C2 DG A 10 -0.451 -4.366 0.249 1.00 0.00 C ATOM 311 N2 DG A 10 -0.125 -4.612 1.510 1.00 0.00 N ATOM 312 N3 DG A 10 -0.626 -5.406 -0.558 1.00 0.00 N ATOM 313 C4 DG A 10 -0.948 -5.029 -1.809 1.00 0.00 C ATOM 0 H5' DG A 10 -1.631 -9.792 0.858 1.00 0.00 H new ATOM 0 H5'' DG A 10 -1.470 -8.047 0.824 1.00 0.00 H new ATOM 0 H4' DG A 10 -2.359 -9.844 -1.314 1.00 0.00 H new ATOM 0 H3' DG A 10 0.317 -9.700 -1.100 1.00 0.00 H new ATOM 0 H2' DG A 10 0.561 -7.279 -1.430 1.00 0.00 H new ATOM 0 H2'' DG A 10 0.911 -7.948 -3.012 1.00 0.00 H new ATOM 0 H1' DG A 10 -1.353 -7.712 -3.770 1.00 0.00 H new ATOM 0 H8 DG A 10 -1.686 -5.488 -4.863 1.00 0.00 H new ATOM 0 H1 DG A 10 -0.434 -2.322 0.527 1.00 0.00 H new ATOM 0 H21 DG A 10 -0.020 -5.574 1.831 1.00 0.00 H new ATOM 0 H22 DG A 10 0.021 -3.839 2.159 1.00 0.00 H new ATOM 325 P DG A 11 0.585 -10.628 -3.918 1.00 0.00 P ATOM 326 OP1 DG A 11 -0.079 -11.349 -5.029 1.00 0.00 O ATOM 327 OP2 DG A 11 1.558 -11.346 -3.066 1.00 0.00 O ATOM 328 O5' DG A 11 1.321 -9.315 -4.536 1.00 0.00 O ATOM 329 C5' DG A 11 0.902 -8.695 -5.764 1.00 0.00 C ATOM 330 C4' DG A 11 1.573 -7.336 -6.050 1.00 0.00 C ATOM 331 O4' DG A 11 1.211 -6.302 -5.144 1.00 0.00 O ATOM 332 C3' DG A 11 3.091 -7.309 -6.219 1.00 0.00 C ATOM 333 O3' DG A 11 3.272 -7.199 -7.630 1.00 0.00 O ATOM 334 C2' DG A 11 3.497 -6.066 -5.414 1.00 0.00 C ATOM 335 C1' DG A 11 2.220 -5.298 -5.282 1.00 0.00 C ATOM 336 N9 DG A 11 2.174 -4.490 -4.087 1.00 0.00 N ATOM 337 C8 DG A 11 2.534 -4.851 -2.843 1.00 0.00 C ATOM 338 N7 DG A 11 2.436 -3.936 -1.938 1.00 0.00 N ATOM 339 C5 DG A 11 1.950 -2.859 -2.672 1.00 0.00 C ATOM 340 C6 DG A 11 1.634 -1.565 -2.245 1.00 0.00 C ATOM 341 O6 DG A 11 1.735 -1.110 -1.114 1.00 0.00 O ATOM 342 N1 DG A 11 1.171 -0.779 -3.281 1.00 0.00 N ATOM 343 C2 DG A 11 1.024 -1.173 -4.588 1.00 0.00 C ATOM 344 N2 DG A 11 0.533 -0.258 -5.433 1.00 0.00 N ATOM 345 N3 DG A 11 1.330 -2.406 -5.004 1.00 0.00 N ATOM 346 C4 DG A 11 1.783 -3.188 -3.990 1.00 0.00 C ATOM 0 H5' DG A 11 -0.179 -8.555 -5.736 1.00 0.00 H new ATOM 0 H5'' DG A 11 1.114 -9.373 -6.591 1.00 0.00 H new ATOM 0 H4' DG A 11 1.151 -7.147 -7.037 1.00 0.00 H new ATOM 0 H3' DG A 11 3.680 -8.158 -5.873 1.00 0.00 H new ATOM 0 H2' DG A 11 3.905 -6.335 -4.440 1.00 0.00 H new ATOM 0 H2'' DG A 11 4.262 -5.486 -5.931 1.00 0.00 H new ATOM 0 H1' DG A 11 2.102 -4.629 -6.135 1.00 0.00 H new ATOM 0 H8 DG A 11 2.884 -5.847 -2.615 1.00 0.00 H new ATOM 0 H1 DG A 11 0.915 0.182 -3.055 1.00 0.00 H new ATOM 0 H21 DG A 11 0.401 -0.491 -6.417 1.00 0.00 H new ATOM 0 H22 DG A 11 0.291 0.673 -5.093 1.00 0.00 H new ATOM 358 P DT A 12 4.094 -8.278 -8.488 1.00 0.00 P ATOM 359 OP1 DT A 12 3.482 -8.382 -9.832 1.00 0.00 O ATOM 360 OP2 DT A 12 4.320 -9.493 -7.670 1.00 0.00 O ATOM 361 O5' DT A 12 5.451 -7.440 -8.590 1.00 0.00 O ATOM 362 C5' DT A 12 6.765 -7.980 -8.476 1.00 0.00 C ATOM 363 C4' DT A 12 7.680 -6.929 -7.862 1.00 0.00 C ATOM 364 O4' DT A 12 7.558 -5.686 -8.575 1.00 0.00 O ATOM 365 C3' DT A 12 7.265 -6.570 -6.437 1.00 0.00 C ATOM 366 O3' DT A 12 7.754 -7.505 -5.466 1.00 0.00 O ATOM 367 C2' DT A 12 7.987 -5.256 -6.302 1.00 0.00 C ATOM 368 C1' DT A 12 8.060 -4.668 -7.697 1.00 0.00 C ATOM 369 N1 DT A 12 7.409 -3.330 -7.760 1.00 0.00 N ATOM 370 C2 DT A 12 8.210 -2.247 -7.396 1.00 0.00 C ATOM 371 O2 DT A 12 9.383 -2.366 -7.041 1.00 0.00 O ATOM 372 N3 DT A 12 7.622 -1.002 -7.448 1.00 0.00 N ATOM 373 C4 DT A 12 6.325 -0.731 -7.825 1.00 0.00 C ATOM 374 O4 DT A 12 5.918 0.430 -7.828 1.00 0.00 O ATOM 375 C5 DT A 12 5.550 -1.903 -8.191 1.00 0.00 C ATOM 376 C7 DT A 12 4.097 -1.701 -8.635 1.00 0.00 C ATOM 377 C6 DT A 12 6.094 -3.149 -8.151 1.00 0.00 C ATOM 0 H5' DT A 12 7.137 -8.277 -9.457 1.00 0.00 H new ATOM 0 H5'' DT A 12 6.751 -8.876 -7.856 1.00 0.00 H new ATOM 0 H4' DT A 12 8.682 -7.357 -7.898 1.00 0.00 H new ATOM 0 H3' DT A 12 6.188 -6.556 -6.273 1.00 0.00 H new ATOM 0 H2' DT A 12 7.455 -4.587 -5.625 1.00 0.00 H new ATOM 0 H2'' DT A 12 8.985 -5.401 -5.888 1.00 0.00 H new ATOM 0 H1' DT A 12 9.073 -4.427 -8.020 1.00 0.00 H new ATOM 0 H3 DT A 12 8.202 -0.206 -7.182 1.00 0.00 H new ATOM 0 H71 DT A 12 3.821 -2.482 -9.344 1.00 0.00 H new ATOM 0 H72 DT A 12 3.441 -1.751 -7.766 1.00 0.00 H new ATOM 0 H73 DT A 12 3.994 -0.726 -9.111 1.00 0.00 H new ATOM 0 H6 DT A 12 5.495 -4.004 -8.427 1.00 0.00 H new ATOM 390 P DT A 13 7.045 -7.738 -4.029 1.00 0.00 P ATOM 391 OP1 DT A 13 7.682 -8.925 -3.414 1.00 0.00 O ATOM 392 OP2 DT A 13 5.581 -7.732 -4.234 1.00 0.00 O ATOM 393 O5' DT A 13 7.420 -6.449 -3.120 1.00 0.00 O ATOM 394 C5' DT A 13 8.681 -6.336 -2.438 1.00 0.00 C ATOM 395 C4' DT A 13 8.575 -5.566 -1.108 1.00 0.00 C ATOM 396 O4' DT A 13 8.194 -4.181 -1.260 1.00 0.00 O ATOM 397 C3' DT A 13 7.555 -6.203 -0.156 1.00 0.00 C ATOM 398 O3' DT A 13 7.963 -6.136 1.223 1.00 0.00 O ATOM 399 C2' DT A 13 6.355 -5.314 -0.412 1.00 0.00 C ATOM 400 C1' DT A 13 6.970 -3.931 -0.542 1.00 0.00 C ATOM 401 N1 DT A 13 6.155 -2.897 -1.240 1.00 0.00 N ATOM 402 C2 DT A 13 5.714 -1.799 -0.504 1.00 0.00 C ATOM 403 O2 DT A 13 5.941 -1.658 0.697 1.00 0.00 O ATOM 404 N3 DT A 13 4.988 -0.852 -1.203 1.00 0.00 N ATOM 405 C4 DT A 13 4.662 -0.898 -2.549 1.00 0.00 C ATOM 406 O4 DT A 13 4.007 0.011 -3.057 1.00 0.00 O ATOM 407 C5 DT A 13 5.158 -2.077 -3.236 1.00 0.00 C ATOM 408 C7 DT A 13 4.882 -2.271 -4.733 1.00 0.00 C ATOM 409 C6 DT A 13 5.869 -3.013 -2.576 1.00 0.00 C ATOM 0 H5' DT A 13 9.396 -5.832 -3.088 1.00 0.00 H new ATOM 0 H5'' DT A 13 9.074 -7.334 -2.244 1.00 0.00 H new ATOM 0 H4' DT A 13 9.584 -5.617 -0.700 1.00 0.00 H new ATOM 0 H3' DT A 13 7.396 -7.268 -0.327 1.00 0.00 H new ATOM 0 H2' DT A 13 5.824 -5.605 -1.318 1.00 0.00 H new ATOM 0 H2'' DT A 13 5.637 -5.360 0.407 1.00 0.00 H new ATOM 0 H1' DT A 13 7.085 -3.492 0.449 1.00 0.00 H new ATOM 0 H3 DT A 13 4.661 -0.042 -0.677 1.00 0.00 H new ATOM 0 H71 DT A 13 3.937 -1.795 -4.993 1.00 0.00 H new ATOM 0 H72 DT A 13 5.687 -1.820 -5.313 1.00 0.00 H new ATOM 0 H73 DT A 13 4.826 -3.336 -4.958 1.00 0.00 H new ATOM 0 H6 DT A 13 6.224 -3.879 -3.115 1.00 0.00 H new ATOM 422 P DG A 14 7.364 -7.173 2.313 1.00 0.00 P ATOM 423 OP1 DG A 14 8.275 -8.338 2.366 1.00 0.00 O ATOM 424 OP2 DG A 14 5.930 -7.377 2.008 1.00 0.00 O ATOM 425 O5' DG A 14 7.456 -6.420 3.739 1.00 0.00 O ATOM 426 C5' DG A 14 6.808 -5.167 3.991 1.00 0.00 C ATOM 427 C4' DG A 14 6.343 -5.037 5.450 1.00 0.00 C ATOM 428 O4' DG A 14 5.724 -3.753 5.659 1.00 0.00 O ATOM 429 C3' DG A 14 5.279 -6.077 5.832 1.00 0.00 C ATOM 430 O3' DG A 14 5.269 -6.317 7.249 1.00 0.00 O ATOM 431 C2' DG A 14 4.042 -5.357 5.341 1.00 0.00 C ATOM 432 C1' DG A 14 4.296 -3.917 5.758 1.00 0.00 C ATOM 433 N9 DG A 14 3.633 -2.919 4.894 1.00 0.00 N ATOM 434 C8 DG A 14 3.187 -1.679 5.230 1.00 0.00 C ATOM 435 N7 DG A 14 2.650 -0.989 4.276 1.00 0.00 N ATOM 436 C5 DG A 14 2.742 -1.849 3.189 1.00 0.00 C ATOM 437 C6 DG A 14 2.321 -1.653 1.856 1.00 0.00 C ATOM 438 O6 DG A 14 1.783 -0.658 1.387 1.00 0.00 O ATOM 439 N1 DG A 14 2.588 -2.752 1.062 1.00 0.00 N ATOM 440 C2 DG A 14 3.192 -3.911 1.504 1.00 0.00 C ATOM 441 N2 DG A 14 3.362 -4.874 0.604 1.00 0.00 N ATOM 442 N3 DG A 14 3.593 -4.100 2.764 1.00 0.00 N ATOM 443 C4 DG A 14 3.337 -3.030 3.550 1.00 0.00 C ATOM 0 H5' DG A 14 5.950 -5.064 3.327 1.00 0.00 H new ATOM 0 H5'' DG A 14 7.493 -4.352 3.756 1.00 0.00 H new ATOM 0 H4' DG A 14 7.238 -5.178 6.056 1.00 0.00 H new ATOM 0 H3' DG A 14 5.412 -7.075 5.414 1.00 0.00 H new ATOM 0 H2' DG A 14 3.923 -5.450 4.261 1.00 0.00 H new ATOM 0 H2'' DG A 14 3.136 -5.755 5.797 1.00 0.00 H new ATOM 0 H1' DG A 14 3.892 -3.747 6.756 1.00 0.00 H new ATOM 0 H8 DG A 14 3.276 -1.293 6.235 1.00 0.00 H new ATOM 0 H1 DG A 14 2.319 -2.703 0.079 1.00 0.00 H new ATOM 0 H21 DG A 14 3.803 -5.753 0.875 1.00 0.00 H new ATOM 0 H22 DG A 14 3.051 -4.734 -0.357 1.00 0.00 H new ATOM 455 P DG A 15 4.047 -7.057 8.007 1.00 0.00 P ATOM 456 OP1 DG A 15 4.517 -7.461 9.352 1.00 0.00 O ATOM 457 OP2 DG A 15 3.473 -8.072 7.095 1.00 0.00 O ATOM 458 O5' DG A 15 2.967 -5.866 8.177 1.00 0.00 O ATOM 459 C5' DG A 15 3.130 -4.874 9.199 1.00 0.00 C ATOM 460 C4' DG A 15 1.942 -3.911 9.322 1.00 0.00 C ATOM 461 O4' DG A 15 1.763 -3.103 8.135 1.00 0.00 O ATOM 462 C3' DG A 15 0.600 -4.609 9.585 1.00 0.00 C ATOM 463 O3' DG A 15 -0.220 -3.764 10.400 1.00 0.00 O ATOM 464 C2' DG A 15 0.015 -4.620 8.194 1.00 0.00 C ATOM 465 C1' DG A 15 0.407 -3.243 7.675 1.00 0.00 C ATOM 466 N9 DG A 15 0.237 -3.047 6.221 1.00 0.00 N ATOM 467 C8 DG A 15 0.459 -3.917 5.199 1.00 0.00 C ATOM 468 N7 DG A 15 0.207 -3.468 4.012 1.00 0.00 N ATOM 469 C5 DG A 15 -0.225 -2.171 4.252 1.00 0.00 C ATOM 470 C6 DG A 15 -0.646 -1.176 3.332 1.00 0.00 C ATOM 471 O6 DG A 15 -0.724 -1.257 2.110 1.00 0.00 O ATOM 472 N1 DG A 15 -0.999 -0.005 3.975 1.00 0.00 N ATOM 473 C2 DG A 15 -0.957 0.194 5.337 1.00 0.00 C ATOM 474 N2 DG A 15 -1.333 1.401 5.764 1.00 0.00 N ATOM 475 N3 DG A 15 -0.563 -0.743 6.209 1.00 0.00 N ATOM 476 C4 DG A 15 -0.212 -1.898 5.598 1.00 0.00 C ATOM 0 H5' DG A 15 4.032 -4.298 8.993 1.00 0.00 H new ATOM 0 H5'' DG A 15 3.282 -5.373 10.156 1.00 0.00 H new ATOM 0 H4' DG A 15 2.205 -3.294 10.181 1.00 0.00 H new ATOM 0 H3' DG A 15 0.681 -5.579 10.075 1.00 0.00 H new ATOM 0 H2' DG A 15 0.432 -5.420 7.582 1.00 0.00 H new ATOM 0 H2'' DG A 15 -1.066 -4.759 8.207 1.00 0.00 H new ATOM 0 HO3' DG A 15 -1.079 -4.205 10.569 1.00 0.00 H new ATOM 0 H1' DG A 15 -0.254 -2.462 8.050 1.00 0.00 H new ATOM 0 H8 DG A 15 0.823 -4.920 5.368 1.00 0.00 H new ATOM 0 H1 DG A 15 -1.315 0.773 3.396 1.00 0.00 H new ATOM 0 H21 DG A 15 -1.325 1.614 6.761 1.00 0.00 H new ATOM 0 H22 DG A 15 -1.628 2.110 5.093 1.00 0.00 H new TER 489 DG A 15