USER MOD reduce.3.24.130724 H: found=0, std=0, add=185, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 185 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 690 G O2' : rot -21:sc= 0.354 USER MOD Single : A 690 G O5' : rot 110:sc= -0.498 USER MOD Single : A 691 C O2' : rot -18:sc= 0.313 USER MOD Single : A 692 G O2' : rot -146:sc= -0.511 USER MOD Single : A 693 A O2' : rot -145:sc= -1.59 USER MOD Single : A 694 G O2' : rot -148:sc= 0.0168 USER MOD Single : A 695 U O2' : rot -15:sc= -0.32 USER MOD Single : A 696 U O2' : rot -150:sc= 0.39! USER MOD Single : A 697 G O2' : rot -18:sc= 0.433 USER MOD Single : A 698 A O2' : rot -13:sc= 0.31 USER MOD Single : A 699 C O2' : rot -78:sc= -1.52! USER MOD Single : A 700 U O2' : rot -18:sc= 0.428 USER MOD Single : A 701 A O2' : rot 2:sc= 0.227 USER MOD Single : A 702 C O2' : rot -29:sc= 0.311 USER MOD Single : A 703 U O2' : rot -116:sc= 0.28 USER MOD Single : A 704 C O2' : rot -16:sc= 0.367 USER MOD Single : A 705 G O2' : rot -5:sc= 0.284 USER MOD Single : A 706 C O2' : rot -25:sc= 0.119 USER MOD Single : A 706 C O3' : rot 180:sc= 0.154 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 690 -9.749 -9.941 -4.697 1.00 5.06 O ATOM 2 C5' G A 690 -10.990 -10.588 -4.406 1.00 5.40 C ATOM 3 C4' G A 690 -10.771 -11.946 -3.739 1.00 5.54 C ATOM 4 O4' G A 690 -10.110 -12.856 -4.623 1.00 5.85 O ATOM 5 C3' G A 690 -9.877 -11.828 -2.510 1.00 5.09 C ATOM 6 O3' G A 690 -10.710 -11.705 -1.353 1.00 5.04 O ATOM 7 C2' G A 690 -9.183 -13.177 -2.459 1.00 5.35 C ATOM 8 O2' G A 690 -9.973 -14.147 -1.761 1.00 5.71 O ATOM 9 C1' G A 690 -9.044 -13.529 -3.935 1.00 5.70 C ATOM 10 N9 G A 690 -7.730 -13.106 -4.456 1.00 5.44 N ATOM 11 C8 G A 690 -7.387 -11.974 -5.120 1.00 5.20 C ATOM 12 N7 G A 690 -6.155 -11.838 -5.474 1.00 5.03 N ATOM 13 C5 G A 690 -5.587 -13.021 -4.991 1.00 5.16 C ATOM 14 C6 G A 690 -4.245 -13.482 -5.060 1.00 5.10 C ATOM 15 O6 G A 690 -3.274 -12.928 -5.570 1.00 4.91 O ATOM 16 N1 G A 690 -4.100 -14.722 -4.451 1.00 5.36 N ATOM 17 C2 G A 690 -5.116 -15.436 -3.848 1.00 5.65 C ATOM 18 N2 G A 690 -4.778 -16.611 -3.316 1.00 5.93 N ATOM 19 N3 G A 690 -6.381 -15.010 -3.778 1.00 5.69 N ATOM 20 C4 G A 690 -6.548 -13.803 -4.366 1.00 5.43 C ATOM 0 H5' G A 690 -11.557 -10.721 -5.327 1.00 5.40 H new ATOM 0 H5'' G A 690 -11.588 -9.953 -3.753 1.00 5.40 H new ATOM 0 H4' G A 690 -11.763 -12.307 -3.467 1.00 5.54 H new ATOM 0 H3' G A 690 -9.192 -10.981 -2.545 1.00 5.09 H new ATOM 0 H2' G A 690 -8.233 -13.157 -1.926 1.00 5.35 H new ATOM 0 HO2' G A 690 -10.615 -13.689 -1.180 1.00 5.71 H new ATOM 0 HO5' G A 690 -9.605 -9.930 -5.666 1.00 5.06 H new ATOM 0 H1' G A 690 -9.106 -14.607 -4.084 1.00 5.70 H new ATOM 0 H8 G A 690 -8.120 -11.213 -5.344 1.00 5.20 H new ATOM 0 H1 G A 690 -3.169 -15.138 -4.449 1.00 5.36 H new ATOM 0 H21 G A 690 -5.485 -17.185 -2.856 1.00 5.93 H new ATOM 0 H22 G A 690 -3.813 -16.936 -3.369 1.00 5.93 H new ATOM 33 P C A 691 -10.693 -10.356 -0.475 1.00 4.53 P ATOM 34 OP1 C A 691 -12.044 -10.159 0.099 1.00 4.70 O ATOM 35 OP2 C A 691 -10.071 -9.284 -1.284 1.00 4.27 O ATOM 36 O5' C A 691 -9.686 -10.730 0.724 1.00 4.29 O ATOM 37 C5' C A 691 -10.141 -11.501 1.839 1.00 4.55 C ATOM 38 C4' C A 691 -8.974 -12.027 2.674 1.00 4.50 C ATOM 39 O4' C A 691 -8.138 -12.899 1.905 1.00 4.68 O ATOM 40 C3' C A 691 -8.070 -10.896 3.147 1.00 3.98 C ATOM 41 O3' C A 691 -8.504 -10.482 4.447 1.00 3.97 O ATOM 42 C2' C A 691 -6.720 -11.575 3.284 1.00 4.00 C ATOM 43 O2' C A 691 -6.573 -12.197 4.566 1.00 4.24 O ATOM 44 C1' C A 691 -6.755 -12.609 2.161 1.00 4.36 C ATOM 45 N1 C A 691 -6.092 -12.090 0.948 1.00 4.13 N ATOM 46 C2 C A 691 -4.705 -12.036 0.947 1.00 3.97 C ATOM 47 O2 C A 691 -4.072 -12.414 1.931 1.00 4.05 O ATOM 48 N3 C A 691 -4.080 -11.557 -0.163 1.00 3.81 N ATOM 49 C4 C A 691 -4.783 -11.149 -1.227 1.00 3.84 C ATOM 50 N4 C A 691 -4.138 -10.685 -2.298 1.00 3.76 N ATOM 51 C5 C A 691 -6.212 -11.204 -1.230 1.00 4.02 C ATOM 52 C6 C A 691 -6.823 -11.678 -0.128 1.00 4.15 C ATOM 0 H5' C A 691 -10.740 -12.339 1.482 1.00 4.55 H new ATOM 0 H5'' C A 691 -10.790 -10.888 2.465 1.00 4.55 H new ATOM 0 H4' C A 691 -9.426 -12.549 3.518 1.00 4.50 H new ATOM 0 H3' C A 691 -8.063 -10.030 2.486 1.00 3.98 H new ATOM 0 H2' C A 691 -5.879 -10.886 3.212 1.00 4.00 H new ATOM 0 HO2' C A 691 -7.231 -11.823 5.189 1.00 4.24 H new ATOM 0 H1' C A 691 -6.218 -13.513 2.450 1.00 4.36 H new ATOM 0 H41 C A 691 -4.664 -10.372 -3.114 1.00 3.76 H new ATOM 0 H42 C A 691 -3.119 -10.643 -2.301 1.00 3.76 H new ATOM 0 H5 C A 691 -6.782 -10.876 -2.087 1.00 4.02 H new ATOM 0 H6 C A 691 -7.901 -11.733 -0.095 1.00 4.15 H new ATOM 64 P G A 692 -8.897 -8.947 4.727 1.00 3.60 P ATOM 65 OP1 G A 692 -9.968 -8.921 5.748 1.00 3.88 O ATOM 66 OP2 G A 692 -9.103 -8.275 3.424 1.00 3.37 O ATOM 67 O5' G A 692 -7.554 -8.356 5.391 1.00 3.30 O ATOM 68 C5' G A 692 -7.099 -8.838 6.657 1.00 3.39 C ATOM 69 C4' G A 692 -5.576 -8.766 6.771 1.00 3.12 C ATOM 70 O4' G A 692 -4.942 -9.551 5.760 1.00 3.12 O ATOM 71 C3' G A 692 -5.067 -7.347 6.569 1.00 2.73 C ATOM 72 O3' G A 692 -4.989 -6.705 7.844 1.00 2.72 O ATOM 73 C2' G A 692 -3.656 -7.564 6.052 1.00 2.51 C ATOM 74 O2' G A 692 -2.720 -7.696 7.127 1.00 2.49 O ATOM 75 C1' G A 692 -3.783 -8.863 5.259 1.00 2.77 C ATOM 76 N9 G A 692 -3.916 -8.586 3.815 1.00 2.67 N ATOM 77 C8 G A 692 -5.024 -8.298 3.089 1.00 2.76 C ATOM 78 N7 G A 692 -4.871 -8.089 1.824 1.00 2.67 N ATOM 79 C5 G A 692 -3.490 -8.255 1.672 1.00 2.50 C ATOM 80 C6 G A 692 -2.685 -8.156 0.505 1.00 2.38 C ATOM 81 O6 G A 692 -3.036 -7.897 -0.643 1.00 2.39 O ATOM 82 N1 G A 692 -1.346 -8.395 0.789 1.00 2.28 N ATOM 83 C2 G A 692 -0.839 -8.694 2.038 1.00 2.32 C ATOM 84 N2 G A 692 0.477 -8.893 2.109 1.00 2.29 N ATOM 85 N3 G A 692 -1.590 -8.789 3.140 1.00 2.43 N ATOM 86 C4 G A 692 -2.899 -8.560 2.888 1.00 2.51 C ATOM 0 H5' G A 692 -7.427 -9.869 6.794 1.00 3.39 H new ATOM 0 H5'' G A 692 -7.553 -8.251 7.455 1.00 3.39 H new ATOM 0 H4' G A 692 -5.339 -9.133 7.770 1.00 3.12 H new ATOM 0 H3' G A 692 -5.692 -6.744 5.911 1.00 2.73 H new ATOM 0 H2' G A 692 -3.283 -6.731 5.456 1.00 2.51 H new ATOM 0 HO2' G A 692 -1.859 -7.312 6.860 1.00 2.49 H new ATOM 0 H1' G A 692 -2.891 -9.477 5.380 1.00 2.77 H new ATOM 0 H8 G A 692 -5.999 -8.245 3.551 1.00 2.76 H new ATOM 0 H1 G A 692 -0.685 -8.346 0.013 1.00 2.28 H new ATOM 0 H21 G A 692 0.911 -9.117 3.004 1.00 2.29 H new ATOM 0 H22 G A 692 1.050 -8.821 1.268 1.00 2.29 H new ATOM 98 P A A 693 -4.884 -5.101 7.945 1.00 2.52 P ATOM 99 OP1 A A 693 -5.288 -4.695 9.309 1.00 2.69 O ATOM 100 OP2 A A 693 -5.565 -4.517 6.768 1.00 2.43 O ATOM 101 O5' A A 693 -3.301 -4.843 7.791 1.00 2.31 O ATOM 102 C5' A A 693 -2.381 -5.393 8.737 1.00 2.34 C ATOM 103 C4' A A 693 -0.935 -5.248 8.263 1.00 2.08 C ATOM 104 O4' A A 693 -0.720 -5.946 7.032 1.00 2.06 O ATOM 105 C3' A A 693 -0.579 -3.793 7.986 1.00 1.80 C ATOM 106 O3' A A 693 0.015 -3.237 9.163 1.00 1.80 O ATOM 107 C2' A A 693 0.490 -3.902 6.915 1.00 1.58 C ATOM 108 O2' A A 693 1.789 -4.093 7.488 1.00 1.53 O ATOM 109 C1' A A 693 0.041 -5.129 6.128 1.00 1.76 C ATOM 110 N9 A A 693 -0.772 -4.736 4.961 1.00 1.72 N ATOM 111 C8 A A 693 -2.098 -4.463 4.881 1.00 1.84 C ATOM 112 N7 A A 693 -2.571 -4.137 3.725 1.00 1.80 N ATOM 113 C5 A A 693 -1.426 -4.196 2.925 1.00 1.63 C ATOM 114 C6 A A 693 -1.208 -3.962 1.563 1.00 1.53 C ATOM 115 N6 A A 693 -2.177 -3.604 0.721 1.00 1.59 N ATOM 116 N1 A A 693 0.046 -4.112 1.101 1.00 1.41 N ATOM 117 C2 A A 693 1.031 -4.471 1.927 1.00 1.40 C ATOM 118 N3 A A 693 0.937 -4.717 3.231 1.00 1.48 N ATOM 119 C4 A A 693 -0.328 -4.561 3.670 1.00 1.59 C ATOM 0 H5' A A 693 -2.609 -6.447 8.897 1.00 2.34 H new ATOM 0 H5'' A A 693 -2.502 -4.892 9.697 1.00 2.34 H new ATOM 0 H4' A A 693 -0.319 -5.656 9.065 1.00 2.08 H new ATOM 0 H3' A A 693 -1.432 -3.178 7.699 1.00 1.80 H new ATOM 0 H2' A A 693 0.586 -3.005 6.304 1.00 1.58 H new ATOM 0 HO2' A A 693 2.459 -3.630 6.942 1.00 1.53 H new ATOM 0 H1' A A 693 0.900 -5.677 5.741 1.00 1.76 H new ATOM 0 H8 A A 693 -2.734 -4.516 5.752 1.00 1.84 H new ATOM 0 H61 A A 693 -1.964 -3.445 -0.264 1.00 1.59 H new ATOM 0 H62 A A 693 -3.132 -3.489 1.061 1.00 1.59 H new ATOM 0 H2 A A 693 2.013 -4.573 1.488 1.00 1.40 H new ATOM 131 P G A 694 -0.145 -1.670 9.496 1.00 1.77 P ATOM 132 OP1 G A 694 0.250 -1.454 10.906 1.00 1.90 O ATOM 133 OP2 G A 694 -1.478 -1.230 9.027 1.00 1.86 O ATOM 134 O5' G A 694 0.970 -0.994 8.551 1.00 1.56 O ATOM 135 C5' G A 694 2.321 -1.465 8.571 1.00 1.50 C ATOM 136 C4' G A 694 2.990 -1.312 7.207 1.00 1.25 C ATOM 137 O4' G A 694 2.203 -1.893 6.172 1.00 1.25 O ATOM 138 C3' G A 694 3.137 0.150 6.817 1.00 1.07 C ATOM 139 O3' G A 694 4.394 0.627 7.305 1.00 1.03 O ATOM 140 C2' G A 694 3.200 0.096 5.297 1.00 0.94 C ATOM 141 O2' G A 694 4.552 -0.002 4.835 1.00 0.90 O ATOM 142 C1' G A 694 2.401 -1.164 4.951 1.00 1.05 C ATOM 143 N9 G A 694 1.111 -0.808 4.331 1.00 1.10 N ATOM 144 C8 G A 694 -0.112 -0.658 4.897 1.00 1.30 C ATOM 145 N7 G A 694 -1.093 -0.328 4.125 1.00 1.31 N ATOM 146 C5 G A 694 -0.460 -0.243 2.881 1.00 1.10 C ATOM 147 C6 G A 694 -0.997 0.085 1.606 1.00 1.04 C ATOM 148 O6 G A 694 -2.157 0.370 1.317 1.00 1.12 O ATOM 149 N1 G A 694 -0.019 0.057 0.619 1.00 0.93 N ATOM 150 C2 G A 694 1.313 -0.248 0.827 1.00 0.89 C ATOM 151 N2 G A 694 2.099 -0.224 -0.249 1.00 0.95 N ATOM 152 N3 G A 694 1.825 -0.557 2.022 1.00 0.88 N ATOM 153 C4 G A 694 0.890 -0.536 3.000 1.00 0.99 C ATOM 0 H5' G A 694 2.337 -2.513 8.869 1.00 1.50 H new ATOM 0 H5'' G A 694 2.889 -0.912 9.319 1.00 1.50 H new ATOM 0 H4' G A 694 3.958 -1.803 7.304 1.00 1.25 H new ATOM 0 H3' G A 694 2.343 0.790 7.203 1.00 1.07 H new ATOM 0 H2' G A 694 2.800 0.994 4.825 1.00 0.94 H new ATOM 0 HO2' G A 694 4.636 0.452 3.970 1.00 0.90 H new ATOM 0 H1' G A 694 2.941 -1.776 4.229 1.00 1.05 H new ATOM 0 H8 G A 694 -0.260 -0.809 5.956 1.00 1.30 H new ATOM 0 H1 G A 694 -0.307 0.279 -0.334 1.00 0.93 H new ATOM 0 H21 G A 694 3.092 -0.440 -0.160 1.00 0.95 H new ATOM 0 H22 G A 694 1.708 0.010 -1.161 1.00 0.95 H new ATOM 165 P U A 695 4.653 2.206 7.488 1.00 0.97 P ATOM 166 OP1 U A 695 5.769 2.384 8.444 1.00 1.09 O ATOM 167 OP2 U A 695 3.351 2.862 7.743 1.00 1.17 O ATOM 168 O5' U A 695 5.165 2.652 6.028 1.00 0.64 O ATOM 169 C5' U A 695 6.364 2.098 5.478 1.00 0.49 C ATOM 170 C4' U A 695 6.423 2.273 3.962 1.00 0.35 C ATOM 171 O4' U A 695 5.238 1.778 3.335 1.00 0.38 O ATOM 172 C3' U A 695 6.509 3.742 3.570 1.00 0.38 C ATOM 173 O3' U A 695 7.888 4.103 3.459 1.00 0.48 O ATOM 174 C2' U A 695 5.894 3.757 2.182 1.00 0.34 C ATOM 175 O2' U A 695 6.866 3.452 1.175 1.00 0.44 O ATOM 176 C1' U A 695 4.828 2.666 2.280 1.00 0.32 C ATOM 177 N1 U A 695 3.500 3.254 2.570 1.00 0.36 N ATOM 178 C2 U A 695 2.717 3.651 1.498 1.00 0.38 C ATOM 179 O2 U A 695 3.091 3.525 0.334 1.00 0.54 O ATOM 180 N3 U A 695 1.487 4.200 1.813 1.00 0.41 N ATOM 181 C4 U A 695 0.977 4.384 3.087 1.00 0.52 C ATOM 182 O4 U A 695 -0.133 4.884 3.251 1.00 0.60 O ATOM 183 C5 U A 695 1.860 3.942 4.144 1.00 0.65 C ATOM 184 C6 U A 695 3.070 3.402 3.860 1.00 0.55 C ATOM 0 H5' U A 695 6.422 1.038 5.725 1.00 0.49 H new ATOM 0 H5'' U A 695 7.230 2.579 5.934 1.00 0.49 H new ATOM 0 H4' U A 695 7.307 1.724 3.639 1.00 0.35 H new ATOM 0 H3' U A 695 6.026 4.417 4.276 1.00 0.38 H new ATOM 0 H2' U A 695 5.493 4.729 1.896 1.00 0.34 H new ATOM 0 HO2' U A 695 7.766 3.535 1.553 1.00 0.44 H new ATOM 0 H1' U A 695 4.735 2.128 1.337 1.00 0.32 H new ATOM 0 H3 U A 695 0.900 4.497 1.033 1.00 0.41 H new ATOM 0 H5 U A 695 1.551 4.044 5.174 1.00 0.65 H new ATOM 0 H6 U A 695 3.709 3.082 4.670 1.00 0.55 H new ATOM 195 P U A 696 8.352 5.629 3.673 1.00 0.63 P ATOM 196 OP1 U A 696 9.716 5.782 3.119 1.00 0.87 O ATOM 197 OP2 U A 696 8.081 6.004 5.080 1.00 0.78 O ATOM 198 O5' U A 696 7.331 6.443 2.731 1.00 0.51 O ATOM 199 C5' U A 696 7.597 6.592 1.333 1.00 0.51 C ATOM 200 C4' U A 696 6.584 7.521 0.663 1.00 0.41 C ATOM 201 O4' U A 696 5.241 7.129 0.966 1.00 0.33 O ATOM 202 C3' U A 696 6.723 8.954 1.159 1.00 0.37 C ATOM 203 O3' U A 696 7.583 9.664 0.263 1.00 0.50 O ATOM 204 C2' U A 696 5.317 9.503 1.011 1.00 0.34 C ATOM 205 O2' U A 696 5.084 10.001 -0.312 1.00 0.49 O ATOM 206 C1' U A 696 4.455 8.282 1.308 1.00 0.32 C ATOM 207 N1 U A 696 4.061 8.247 2.732 1.00 0.33 N ATOM 208 C2 U A 696 3.070 9.120 3.144 1.00 0.47 C ATOM 209 O2 U A 696 2.527 9.904 2.369 1.00 0.55 O ATOM 210 N3 U A 696 2.726 9.061 4.482 1.00 0.59 N ATOM 211 C4 U A 696 3.278 8.217 5.430 1.00 0.61 C ATOM 212 O4 U A 696 2.893 8.250 6.598 1.00 0.77 O ATOM 213 C5 U A 696 4.304 7.340 4.913 1.00 0.49 C ATOM 214 C6 U A 696 4.659 7.380 3.606 1.00 0.34 C ATOM 0 H5' U A 696 7.570 5.615 0.851 1.00 0.51 H new ATOM 0 H5'' U A 696 8.603 6.988 1.194 1.00 0.51 H new ATOM 0 H4' U A 696 6.786 7.456 -0.406 1.00 0.41 H new ATOM 0 H3' U A 696 7.125 9.034 2.169 1.00 0.37 H new ATOM 0 H2' U A 696 5.111 10.350 1.666 1.00 0.34 H new ATOM 0 HO2' U A 696 4.439 10.738 -0.275 1.00 0.49 H new ATOM 0 H1' U A 696 3.532 8.309 0.729 1.00 0.32 H new ATOM 0 H3 U A 696 1.997 9.699 4.800 1.00 0.59 H new ATOM 0 H5 U A 696 4.794 6.644 5.577 1.00 0.49 H new ATOM 0 H6 U A 696 5.430 6.714 3.247 1.00 0.34 H new ATOM 225 P G A 697 8.884 10.436 0.817 1.00 0.68 P ATOM 226 OP1 G A 697 9.754 10.762 -0.334 1.00 1.22 O ATOM 227 OP2 G A 697 9.427 9.668 1.959 1.00 1.12 O ATOM 228 O5' G A 697 8.262 11.808 1.384 1.00 0.54 O ATOM 229 C5' G A 697 8.894 12.497 2.467 1.00 0.64 C ATOM 230 C4' G A 697 7.977 13.562 3.069 1.00 0.57 C ATOM 231 O4' G A 697 7.995 14.759 2.293 1.00 0.56 O ATOM 232 C3' G A 697 6.526 13.107 3.087 1.00 0.51 C ATOM 233 O3' G A 697 6.266 12.480 4.347 1.00 0.70 O ATOM 234 C2' G A 697 5.751 14.413 3.032 1.00 0.46 C ATOM 235 O2' G A 697 5.502 14.927 4.345 1.00 0.64 O ATOM 236 C1' G A 697 6.679 15.334 2.239 1.00 0.49 C ATOM 237 N9 G A 697 6.221 15.468 0.844 1.00 0.47 N ATOM 238 C8 G A 697 6.516 14.709 -0.241 1.00 0.54 C ATOM 239 N7 G A 697 5.983 15.044 -1.367 1.00 0.67 N ATOM 240 C5 G A 697 5.233 16.168 -1.006 1.00 0.64 C ATOM 241 C6 G A 697 4.407 17.006 -1.802 1.00 0.79 C ATOM 242 O6 G A 697 4.169 16.921 -3.005 1.00 0.92 O ATOM 243 N1 G A 697 3.836 18.024 -1.049 1.00 0.86 N ATOM 244 C2 G A 697 4.031 18.217 0.305 1.00 0.87 C ATOM 245 N2 G A 697 3.395 19.252 0.851 1.00 1.10 N ATOM 246 N3 G A 697 4.807 17.433 1.061 1.00 0.74 N ATOM 247 C4 G A 697 5.374 16.434 0.348 1.00 0.57 C ATOM 0 H5' G A 697 9.813 12.965 2.114 1.00 0.64 H new ATOM 0 H5'' G A 697 9.177 11.781 3.239 1.00 0.64 H new ATOM 0 H4' G A 697 8.350 13.733 4.079 1.00 0.57 H new ATOM 0 H3' G A 697 6.273 12.413 2.285 1.00 0.51 H new ATOM 0 H2' G A 697 4.766 14.307 2.578 1.00 0.46 H new ATOM 0 HO2' G A 697 5.613 14.210 5.004 1.00 0.64 H new ATOM 0 H1' G A 697 6.681 16.336 2.668 1.00 0.49 H new ATOM 0 H8 G A 697 7.173 13.855 -0.165 1.00 0.54 H new ATOM 0 H1 G A 697 3.225 18.681 -1.534 1.00 0.86 H new ATOM 0 H21 G A 697 3.499 19.447 1.847 1.00 1.10 H new ATOM 0 H22 G A 697 2.804 19.850 0.273 1.00 1.10 H new ATOM 259 P A A 698 5.126 11.351 4.481 1.00 0.77 P ATOM 260 OP1 A A 698 4.866 11.125 5.920 1.00 0.96 O ATOM 261 OP2 A A 698 5.497 10.214 3.611 1.00 0.76 O ATOM 262 O5' A A 698 3.836 12.076 3.845 1.00 0.84 O ATOM 263 C5' A A 698 2.974 12.869 4.664 1.00 0.55 C ATOM 264 C4' A A 698 2.180 13.879 3.835 1.00 0.43 C ATOM 265 O4' A A 698 2.988 14.457 2.806 1.00 0.33 O ATOM 266 C3' A A 698 1.012 13.222 3.113 1.00 0.45 C ATOM 267 O3' A A 698 -0.144 13.298 3.953 1.00 0.57 O ATOM 268 C2' A A 698 0.801 14.136 1.918 1.00 0.41 C ATOM 269 O2' A A 698 -0.042 15.244 2.248 1.00 0.51 O ATOM 270 C1' A A 698 2.222 14.591 1.596 1.00 0.33 C ATOM 271 N9 A A 698 2.800 13.775 0.511 1.00 0.33 N ATOM 272 C8 A A 698 3.622 12.699 0.579 1.00 0.38 C ATOM 273 N7 A A 698 3.988 12.158 -0.535 1.00 0.45 N ATOM 274 C5 A A 698 3.333 12.966 -1.470 1.00 0.44 C ATOM 275 C6 A A 698 3.286 12.951 -2.869 1.00 0.53 C ATOM 276 N6 A A 698 3.940 12.058 -3.611 1.00 0.61 N ATOM 277 N1 A A 698 2.541 13.894 -3.473 1.00 0.59 N ATOM 278 C2 A A 698 1.881 14.799 -2.748 1.00 0.59 C ATOM 279 N3 A A 698 1.856 14.905 -1.424 1.00 0.50 N ATOM 280 C4 A A 698 2.608 13.951 -0.841 1.00 0.40 C ATOM 0 H5' A A 698 3.566 13.397 5.412 1.00 0.55 H new ATOM 0 H5'' A A 698 2.285 12.219 5.204 1.00 0.55 H new ATOM 0 H4' A A 698 1.834 14.630 4.546 1.00 0.43 H new ATOM 0 H3' A A 698 1.184 12.179 2.849 1.00 0.45 H new ATOM 0 H2' A A 698 0.302 13.647 1.081 1.00 0.41 H new ATOM 0 HO2' A A 698 -0.481 15.076 3.108 1.00 0.51 H new ATOM 0 H1' A A 698 2.229 15.624 1.249 1.00 0.33 H new ATOM 0 H8 A A 698 3.958 12.309 1.529 1.00 0.38 H new ATOM 0 H61 A A 698 3.871 12.092 -4.628 1.00 0.61 H new ATOM 0 H62 A A 698 4.509 11.341 -3.162 1.00 0.61 H new ATOM 0 H2 A A 698 1.303 15.526 -3.299 1.00 0.59 H new ATOM 292 P C A 699 -1.158 12.053 4.061 1.00 0.68 P ATOM 293 OP1 C A 699 -2.181 12.375 5.079 1.00 0.83 O ATOM 294 OP2 C A 699 -0.360 10.813 4.185 1.00 0.70 O ATOM 295 O5' C A 699 -1.868 12.052 2.615 1.00 0.81 O ATOM 296 C5' C A 699 -2.955 12.940 2.342 1.00 0.52 C ATOM 297 C4' C A 699 -3.178 13.112 0.840 1.00 0.41 C ATOM 298 O4' C A 699 -1.944 13.291 0.147 1.00 0.39 O ATOM 299 C3' C A 699 -3.812 11.877 0.224 1.00 0.42 C ATOM 300 O3' C A 699 -5.233 12.028 0.264 1.00 0.49 O ATOM 301 C2' C A 699 -3.361 11.947 -1.226 1.00 0.51 C ATOM 302 O2' C A 699 -4.276 12.709 -2.020 1.00 0.68 O ATOM 303 C1' C A 699 -1.997 12.634 -1.131 1.00 0.43 C ATOM 304 N1 C A 699 -0.900 11.650 -1.262 1.00 0.37 N ATOM 305 C2 C A 699 -0.527 11.262 -2.542 1.00 0.44 C ATOM 306 O2 C A 699 -1.106 11.730 -3.519 1.00 0.54 O ATOM 307 N3 C A 699 0.486 10.363 -2.675 1.00 0.47 N ATOM 308 C4 C A 699 1.107 9.861 -1.600 1.00 0.42 C ATOM 309 N4 C A 699 2.097 8.984 -1.766 1.00 0.51 N ATOM 310 C5 C A 699 0.726 10.256 -0.279 1.00 0.36 C ATOM 311 C6 C A 699 -0.277 11.147 -0.156 1.00 0.33 C ATOM 0 H5' C A 699 -2.754 13.911 2.794 1.00 0.52 H new ATOM 0 H5'' C A 699 -3.864 12.555 2.804 1.00 0.52 H new ATOM 0 H4' C A 699 -3.825 13.984 0.740 1.00 0.41 H new ATOM 0 H3' C A 699 -3.542 10.947 0.725 1.00 0.42 H new ATOM 0 H2' C A 699 -3.314 10.970 -1.708 1.00 0.51 H new ATOM 0 HO2' C A 699 -5.060 12.161 -2.232 1.00 0.68 H new ATOM 0 H1' C A 699 -1.873 13.354 -1.940 1.00 0.43 H new ATOM 0 H41 C A 699 2.576 8.596 -0.953 1.00 0.51 H new ATOM 0 H42 C A 699 2.375 8.701 -2.706 1.00 0.51 H new ATOM 0 H5 C A 699 1.225 9.854 0.590 1.00 0.36 H new ATOM 0 H6 C A 699 -0.591 11.466 0.827 1.00 0.33 H new ATOM 323 P U A 700 -6.183 10.755 0.522 1.00 0.63 P ATOM 324 OP1 U A 700 -7.363 11.205 1.293 1.00 0.92 O ATOM 325 OP2 U A 700 -5.344 9.648 1.035 1.00 0.95 O ATOM 326 O5' U A 700 -6.667 10.372 -0.964 1.00 0.80 O ATOM 327 C5' U A 700 -7.625 9.331 -1.168 1.00 0.77 C ATOM 328 C4' U A 700 -8.375 9.507 -2.489 1.00 0.69 C ATOM 329 O4' U A 700 -8.707 10.876 -2.717 1.00 0.70 O ATOM 330 C3' U A 700 -7.525 9.093 -3.679 1.00 0.62 C ATOM 331 O3' U A 700 -7.775 7.710 -3.952 1.00 0.71 O ATOM 332 C2' U A 700 -8.098 9.918 -4.820 1.00 0.84 C ATOM 333 O2' U A 700 -9.155 9.221 -5.490 1.00 1.21 O ATOM 334 C1' U A 700 -8.618 11.176 -4.120 1.00 0.76 C ATOM 335 N1 U A 700 -7.718 12.320 -4.359 1.00 0.70 N ATOM 336 C2 U A 700 -7.684 12.843 -5.637 1.00 0.93 C ATOM 337 O2 U A 700 -8.371 12.387 -6.548 1.00 1.10 O ATOM 338 N3 U A 700 -6.831 13.914 -5.832 1.00 1.05 N ATOM 339 C4 U A 700 -6.022 14.499 -4.873 1.00 1.01 C ATOM 340 O4 U A 700 -5.299 15.451 -5.159 1.00 1.24 O ATOM 341 C5 U A 700 -6.121 13.888 -3.566 1.00 0.77 C ATOM 342 C6 U A 700 -6.949 12.837 -3.352 1.00 0.61 C ATOM 0 H5' U A 700 -8.337 9.324 -0.343 1.00 0.77 H new ATOM 0 H5'' U A 700 -7.120 8.365 -1.161 1.00 0.77 H new ATOM 0 H4' U A 700 -9.265 8.884 -2.403 1.00 0.69 H new ATOM 0 H3' U A 700 -6.456 9.238 -3.527 1.00 0.62 H new ATOM 0 H2' U A 700 -7.364 10.135 -5.596 1.00 0.84 H new ATOM 0 HO2' U A 700 -9.105 8.266 -5.275 1.00 1.21 H new ATOM 0 H1' U A 700 -9.595 11.457 -4.513 1.00 0.76 H new ATOM 0 H3 U A 700 -6.795 14.310 -6.771 1.00 1.05 H new ATOM 0 H5 U A 700 -5.528 14.274 -2.750 1.00 0.77 H new ATOM 0 H6 U A 700 -7.003 12.398 -2.367 1.00 0.61 H new ATOM 353 P A A 701 -6.633 6.607 -3.687 1.00 0.65 P ATOM 354 OP1 A A 701 -6.889 5.453 -4.579 1.00 1.29 O ATOM 355 OP2 A A 701 -6.518 6.399 -2.227 1.00 1.39 O ATOM 356 O5' A A 701 -5.300 7.351 -4.198 1.00 0.47 O ATOM 357 C5' A A 701 -5.077 7.567 -5.595 1.00 0.57 C ATOM 358 C4' A A 701 -3.589 7.513 -5.938 1.00 0.61 C ATOM 359 O4' A A 701 -2.833 8.407 -5.112 1.00 0.58 O ATOM 360 C3' A A 701 -3.007 6.122 -5.698 1.00 0.60 C ATOM 361 O3' A A 701 -3.011 5.410 -6.938 1.00 0.80 O ATOM 362 C2' A A 701 -1.569 6.411 -5.312 1.00 0.59 C ATOM 363 O2' A A 701 -0.733 6.547 -6.468 1.00 0.79 O ATOM 364 C1' A A 701 -1.698 7.727 -4.557 1.00 0.51 C ATOM 365 N9 A A 701 -1.882 7.489 -3.112 1.00 0.34 N ATOM 366 C8 A A 701 -2.934 7.791 -2.312 1.00 0.34 C ATOM 367 N7 A A 701 -2.846 7.471 -1.064 1.00 0.37 N ATOM 368 C5 A A 701 -1.580 6.879 -1.014 1.00 0.27 C ATOM 369 C6 A A 701 -0.841 6.307 0.028 1.00 0.29 C ATOM 370 N6 A A 701 -1.289 6.230 1.281 1.00 0.47 N ATOM 371 N1 A A 701 0.374 5.818 -0.271 1.00 0.24 N ATOM 372 C2 A A 701 0.841 5.885 -1.519 1.00 0.29 C ATOM 373 N3 A A 701 0.229 6.403 -2.580 1.00 0.35 N ATOM 374 C4 A A 701 -0.987 6.888 -2.256 1.00 0.27 C ATOM 0 H5' A A 701 -5.483 8.536 -5.884 1.00 0.57 H new ATOM 0 H5'' A A 701 -5.612 6.812 -6.171 1.00 0.57 H new ATOM 0 H4' A A 701 -3.518 7.789 -6.990 1.00 0.61 H new ATOM 0 H3' A A 701 -3.551 5.539 -4.955 1.00 0.60 H new ATOM 0 H2' A A 701 -1.104 5.617 -4.728 1.00 0.59 H new ATOM 0 HO2' A A 701 -1.276 6.447 -7.278 1.00 0.79 H new ATOM 0 H1' A A 701 -0.794 8.327 -4.662 1.00 0.51 H new ATOM 0 H8 A A 701 -3.813 8.281 -2.704 1.00 0.34 H new ATOM 0 H61 A A 701 -0.710 5.803 2.004 1.00 0.47 H new ATOM 0 H62 A A 701 -2.211 6.598 1.517 1.00 0.47 H new ATOM 0 H2 A A 701 1.825 5.473 -1.686 1.00 0.29 H new ATOM 386 P C A 702 -3.501 3.877 -6.999 1.00 0.93 P ATOM 387 OP1 C A 702 -3.945 3.587 -8.381 1.00 1.13 O ATOM 388 OP2 C A 702 -4.420 3.640 -5.863 1.00 0.85 O ATOM 389 O5' C A 702 -2.139 3.062 -6.724 1.00 0.97 O ATOM 390 C5' C A 702 -0.950 3.361 -7.461 1.00 1.05 C ATOM 391 C4' C A 702 0.302 3.175 -6.604 1.00 1.01 C ATOM 392 O4' C A 702 0.205 3.911 -5.379 1.00 0.84 O ATOM 393 C3' C A 702 0.496 1.718 -6.202 1.00 1.09 C ATOM 394 O3' C A 702 1.365 1.095 -7.152 1.00 1.27 O ATOM 395 C2' C A 702 1.230 1.829 -4.879 1.00 0.97 C ATOM 396 O2' C A 702 2.642 1.972 -5.071 1.00 1.02 O ATOM 397 C1' C A 702 0.616 3.086 -4.276 1.00 0.81 C ATOM 398 N1 C A 702 -0.531 2.745 -3.412 1.00 0.76 N ATOM 399 C2 C A 702 -0.257 2.172 -2.179 1.00 0.77 C ATOM 400 O2 C A 702 0.908 1.974 -1.837 1.00 0.78 O ATOM 401 N3 C A 702 -1.303 1.842 -1.373 1.00 0.81 N ATOM 402 C4 C A 702 -2.566 2.065 -1.760 1.00 0.82 C ATOM 403 N4 C A 702 -3.568 1.731 -0.946 1.00 0.92 N ATOM 404 C5 C A 702 -2.854 2.655 -3.031 1.00 0.77 C ATOM 405 C6 C A 702 -1.812 2.978 -3.822 1.00 0.75 C ATOM 0 H5' C A 702 -0.994 4.388 -7.824 1.00 1.05 H new ATOM 0 H5'' C A 702 -0.892 2.715 -8.337 1.00 1.05 H new ATOM 0 H4' C A 702 1.133 3.526 -7.215 1.00 1.01 H new ATOM 0 H3' C A 702 -0.431 1.147 -6.148 1.00 1.09 H new ATOM 0 H2' C A 702 1.127 0.947 -4.247 1.00 0.97 H new ATOM 0 HO2' C A 702 2.905 1.529 -5.904 1.00 1.02 H new ATOM 0 H1' C A 702 1.335 3.611 -3.647 1.00 0.81 H new ATOM 0 H41 C A 702 -4.533 1.897 -1.231 1.00 0.92 H new ATOM 0 H42 C A 702 -3.369 1.310 -0.038 1.00 0.92 H new ATOM 0 H5 C A 702 -3.871 2.835 -3.346 1.00 0.77 H new ATOM 0 H6 C A 702 -1.992 3.425 -4.789 1.00 0.75 H new ATOM 417 P U A 703 1.082 -0.410 -7.652 1.00 1.41 P ATOM 418 OP1 U A 703 1.570 -0.535 -9.044 1.00 1.57 O ATOM 419 OP2 U A 703 -0.322 -0.750 -7.330 1.00 1.41 O ATOM 420 O5' U A 703 2.043 -1.284 -6.701 1.00 1.43 O ATOM 421 C5' U A 703 3.463 -1.221 -6.850 1.00 1.55 C ATOM 422 C4' U A 703 4.184 -1.701 -5.591 1.00 1.47 C ATOM 423 O4' U A 703 3.713 -1.012 -4.429 1.00 1.22 O ATOM 424 C3' U A 703 3.926 -3.178 -5.326 1.00 1.60 C ATOM 425 O3' U A 703 4.969 -3.939 -5.941 1.00 1.86 O ATOM 426 C2' U A 703 4.078 -3.283 -3.819 1.00 1.44 C ATOM 427 O2' U A 703 5.446 -3.465 -3.441 1.00 1.52 O ATOM 428 C1' U A 703 3.539 -1.937 -3.341 1.00 1.18 C ATOM 429 N1 U A 703 2.113 -2.046 -2.963 1.00 1.07 N ATOM 430 C2 U A 703 1.815 -2.552 -1.710 1.00 1.08 C ATOM 431 O2 U A 703 2.691 -2.899 -0.920 1.00 1.13 O ATOM 432 N3 U A 703 0.472 -2.642 -1.394 1.00 1.11 N ATOM 433 C4 U A 703 -0.585 -2.277 -2.210 1.00 1.10 C ATOM 434 O4 U A 703 -1.745 -2.401 -1.825 1.00 1.20 O ATOM 435 C5 U A 703 -0.182 -1.761 -3.499 1.00 1.03 C ATOM 436 C6 U A 703 1.128 -1.663 -3.832 1.00 1.05 C ATOM 0 H5' U A 703 3.761 -0.196 -7.072 1.00 1.55 H new ATOM 0 H5'' U A 703 3.768 -1.832 -7.699 1.00 1.55 H new ATOM 0 H4' U A 703 5.243 -1.511 -5.768 1.00 1.47 H new ATOM 0 H3' U A 703 2.965 -3.533 -5.700 1.00 1.60 H new ATOM 0 H2' U A 703 3.556 -4.138 -3.388 1.00 1.44 H new ATOM 0 HO2' U A 703 5.553 -4.340 -3.013 1.00 1.52 H new ATOM 0 H1' U A 703 4.073 -1.597 -2.454 1.00 1.18 H new ATOM 0 H3 U A 703 0.238 -3.012 -0.473 1.00 1.11 H new ATOM 0 H5 U A 703 -0.936 -1.449 -4.207 1.00 1.03 H new ATOM 0 H6 U A 703 1.400 -1.275 -4.803 1.00 1.05 H new ATOM 447 P C A 704 4.633 -5.315 -6.706 1.00 2.12 P ATOM 448 OP1 C A 704 5.688 -5.554 -7.715 1.00 2.38 O ATOM 449 OP2 C A 704 3.212 -5.281 -7.117 1.00 2.12 O ATOM 450 O5' C A 704 4.794 -6.413 -5.539 1.00 2.11 O ATOM 451 C5' C A 704 5.974 -6.447 -4.733 1.00 2.13 C ATOM 452 C4' C A 704 5.681 -6.973 -3.328 1.00 2.07 C ATOM 453 O4' C A 704 4.664 -6.209 -2.687 1.00 1.80 O ATOM 454 C3' C A 704 5.149 -8.395 -3.363 1.00 2.36 C ATOM 455 O3' C A 704 6.256 -9.297 -3.292 1.00 2.61 O ATOM 456 C2' C A 704 4.361 -8.496 -2.066 1.00 2.29 C ATOM 457 O2' C A 704 5.186 -8.951 -0.988 1.00 2.38 O ATOM 458 C1' C A 704 3.881 -7.060 -1.834 1.00 1.92 C ATOM 459 N1 C A 704 2.438 -6.932 -2.141 1.00 1.88 N ATOM 460 C2 C A 704 1.531 -7.284 -1.149 1.00 1.93 C ATOM 461 O2 C A 704 1.935 -7.684 -0.060 1.00 2.00 O ATOM 462 N3 C A 704 0.203 -7.171 -1.419 1.00 1.95 N ATOM 463 C4 C A 704 -0.223 -6.732 -2.612 1.00 1.90 C ATOM 464 N4 C A 704 -1.532 -6.634 -2.843 1.00 1.96 N ATOM 465 C5 C A 704 0.707 -6.369 -3.636 1.00 1.85 C ATOM 466 C6 C A 704 2.021 -6.484 -3.360 1.00 1.85 C ATOM 0 H5' C A 704 6.398 -5.445 -4.666 1.00 2.13 H new ATOM 0 H5'' C A 704 6.723 -7.079 -5.210 1.00 2.13 H new ATOM 0 H4' C A 704 6.629 -6.912 -2.793 1.00 2.07 H new ATOM 0 H3' C A 704 4.565 -8.625 -4.254 1.00 2.36 H new ATOM 0 H2' C A 704 3.543 -9.215 -2.120 1.00 2.29 H new ATOM 0 HO2' C A 704 6.007 -9.346 -1.349 1.00 2.38 H new ATOM 0 H1' C A 704 4.008 -6.776 -0.789 1.00 1.92 H new ATOM 0 H41 C A 704 -1.867 -6.301 -3.747 1.00 1.96 H new ATOM 0 H42 C A 704 -2.199 -6.892 -2.116 1.00 1.96 H new ATOM 0 H5 C A 704 0.368 -6.015 -4.598 1.00 1.85 H new ATOM 0 H6 C A 704 2.751 -6.219 -4.111 1.00 1.85 H new ATOM 478 P G A 705 6.300 -10.610 -4.222 1.00 3.08 P ATOM 479 OP1 G A 705 7.717 -10.927 -4.509 1.00 3.27 O ATOM 480 OP2 G A 705 5.346 -10.420 -5.337 1.00 3.21 O ATOM 481 O5' G A 705 5.716 -11.751 -3.248 1.00 3.27 O ATOM 482 C5' G A 705 6.485 -12.218 -2.136 1.00 3.40 C ATOM 483 C4' G A 705 5.724 -13.269 -1.327 1.00 3.74 C ATOM 484 O4' G A 705 4.821 -12.656 -0.402 1.00 3.56 O ATOM 485 C3' G A 705 4.865 -14.153 -2.224 1.00 4.09 C ATOM 486 O3' G A 705 5.617 -15.322 -2.562 1.00 4.50 O ATOM 487 C2' G A 705 3.726 -14.563 -1.309 1.00 4.27 C ATOM 488 O2' G A 705 4.065 -15.721 -0.535 1.00 4.70 O ATOM 489 C1' G A 705 3.553 -13.332 -0.425 1.00 3.82 C ATOM 490 N9 G A 705 2.496 -12.450 -0.955 1.00 3.54 N ATOM 491 C8 G A 705 2.517 -11.626 -2.032 1.00 3.29 C ATOM 492 N7 G A 705 1.447 -10.951 -2.290 1.00 3.16 N ATOM 493 C5 G A 705 0.594 -11.365 -1.262 1.00 3.31 C ATOM 494 C6 G A 705 -0.746 -10.984 -0.983 1.00 3.30 C ATOM 495 O6 G A 705 -1.457 -10.192 -1.597 1.00 3.17 O ATOM 496 N1 G A 705 -1.237 -11.635 0.143 1.00 3.54 N ATOM 497 C2 G A 705 -0.532 -12.541 0.908 1.00 3.80 C ATOM 498 N2 G A 705 -1.177 -13.060 1.952 1.00 4.08 N ATOM 499 N3 G A 705 0.730 -12.905 0.653 1.00 3.83 N ATOM 500 C4 G A 705 1.229 -12.284 -0.440 1.00 3.55 C ATOM 0 H5' G A 705 6.741 -11.377 -1.491 1.00 3.40 H new ATOM 0 H5'' G A 705 7.423 -12.643 -2.494 1.00 3.40 H new ATOM 0 H4' G A 705 6.486 -13.855 -0.812 1.00 3.74 H new ATOM 0 H3' G A 705 4.539 -13.665 -3.143 1.00 4.09 H new ATOM 0 H2' G A 705 2.819 -14.843 -1.845 1.00 4.27 H new ATOM 0 HO2' G A 705 4.940 -16.060 -0.819 1.00 4.70 H new ATOM 0 H1' G A 705 3.248 -13.617 0.582 1.00 3.82 H new ATOM 0 H8 G A 705 3.397 -11.538 -2.652 1.00 3.29 H new ATOM 0 H1 G A 705 -2.194 -11.426 0.426 1.00 3.54 H new ATOM 0 H21 G A 705 -0.709 -13.736 2.556 1.00 4.08 H new ATOM 0 H22 G A 705 -2.139 -12.782 2.147 1.00 4.08 H new ATOM 512 P C A 706 5.316 -16.121 -3.928 1.00 4.89 P ATOM 513 OP1 C A 706 6.424 -17.075 -4.160 1.00 5.22 O ATOM 514 OP2 C A 706 4.960 -15.135 -4.972 1.00 4.69 O ATOM 515 O5' C A 706 3.994 -16.963 -3.559 1.00 5.20 O ATOM 516 C5' C A 706 4.086 -18.135 -2.746 1.00 5.58 C ATOM 517 C4' C A 706 2.703 -18.674 -2.379 1.00 5.90 C ATOM 518 O4' C A 706 1.894 -17.662 -1.767 1.00 5.55 O ATOM 519 C3' C A 706 1.934 -19.133 -3.611 1.00 6.23 C ATOM 520 O3' C A 706 2.229 -20.494 -3.941 1.00 6.78 O ATOM 521 C2' C A 706 0.498 -18.965 -3.155 1.00 6.29 C ATOM 522 O2' C A 706 0.068 -20.071 -2.353 1.00 6.74 O ATOM 523 C1' C A 706 0.580 -17.681 -2.342 1.00 5.71 C ATOM 524 N1 C A 706 0.368 -16.502 -3.210 1.00 5.34 N ATOM 525 C2 C A 706 -0.932 -16.045 -3.386 1.00 5.34 C ATOM 526 O2 C A 706 -1.865 -16.605 -2.812 1.00 5.60 O ATOM 527 N3 C A 706 -1.135 -14.975 -4.203 1.00 5.10 N ATOM 528 C4 C A 706 -0.108 -14.379 -4.822 1.00 4.87 C ATOM 529 N4 C A 706 -0.342 -13.333 -5.616 1.00 4.74 N ATOM 530 C5 C A 706 1.232 -14.846 -4.642 1.00 4.84 C ATOM 531 C6 C A 706 1.422 -15.903 -3.831 1.00 5.08 C ATOM 0 H5' C A 706 4.641 -17.905 -1.836 1.00 5.58 H new ATOM 0 H5'' C A 706 4.648 -18.904 -3.277 1.00 5.58 H new ATOM 0 H4' C A 706 2.884 -19.505 -1.697 1.00 5.90 H new ATOM 0 H3' C A 706 2.177 -18.578 -4.517 1.00 6.23 H new ATOM 0 H2' C A 706 -0.223 -18.924 -3.971 1.00 6.29 H new ATOM 0 HO2' C A 706 0.601 -20.863 -2.575 1.00 6.74 H new ATOM 0 HO3' C A 706 1.718 -20.756 -4.735 1.00 6.78 H new ATOM 0 H1' C A 706 -0.190 -17.645 -1.571 1.00 5.71 H new ATOM 0 H41 C A 706 0.433 -12.871 -6.093 1.00 4.74 H new ATOM 0 H42 C A 706 -1.296 -12.995 -5.747 1.00 4.74 H new ATOM 0 H5 C A 706 2.062 -14.367 -5.140 1.00 4.84 H new ATOM 0 H6 C A 706 2.421 -16.280 -3.671 1.00 5.08 H new TER 544 C A 706 HETATM 545 MN MN A 707 9.382 9.034 6.924 1.00 1.04 MN HETATM 546 MN MN A 708 7.722 12.445 -4.075 1.00 1.69 MN HETATM 547 MN MN A 709 -1.734 7.543 7.336 1.00 1.77 MN HETATM 548 MN MN A 710 -6.291 4.429 0.981 1.00 1.22 MN HETATM 549 O HOH A 711 11.184 9.510 7.651 1.00 1.95 O HETATM 550 O HOH A 712 7.587 8.515 6.214 1.00 2.30 O HETATM 551 O HOH A 713 9.816 7.106 7.223 1.00 2.43 O HETATM 552 O HOH A 714 9.066 10.991 6.647 1.00 2.01 O HETATM 553 O HOH A 715 10.147 8.858 5.085 1.00 2.05 O HETATM 554 O HOH A 716 8.591 8.955 8.761 1.00 2.29 O HETATM 555 O HOH A 717 8.243 13.272 -5.820 1.00 2.39 O HETATM 556 O HOH A 718 7.161 11.606 -2.349 1.00 2.79 O HETATM 557 O HOH A 719 6.149 11.613 -4.984 1.00 2.17 O HETATM 558 O HOH A 720 9.342 13.306 -3.276 1.00 2.79 O HETATM 559 O HOH A 721 8.770 10.800 -4.520 1.00 2.59 O HETATM 560 O HOH A 722 6.465 13.945 -3.664 1.00 2.09 O HETATM 561 O HOH A 723 0.188 7.000 7.246 1.00 2.83 O HETATM 562 O HOH A 724 -3.655 8.095 7.380 1.00 2.19 O HETATM 563 O HOH A 725 -1.801 7.491 5.339 1.00 2.43 O HETATM 564 O HOH A 726 -1.558 7.538 9.329 1.00 2.87 O HETATM 565 O HOH A 727 -2.297 5.624 7.345 1.00 2.19 O HETATM 566 O HOH A 728 -1.267 9.473 7.091 1.00 2.99 O HETATM 567 O HOH A 729 -8.058 4.197 1.891 1.00 1.90 O HETATM 568 O HOH A 730 -4.522 4.616 0.070 1.00 2.69 O HETATM 569 O HOH A 731 -5.921 2.490 1.293 1.00 2.00 O HETATM 570 O HOH A 732 -6.759 6.361 0.745 1.00 2.51 O HETATM 571 O HOH A 733 -5.414 4.816 2.736 1.00 2.10 O HETATM 572 O HOH A 734 -7.041 3.820 -0.771 1.00 2.37 O