from __future__ import absolute_import, division, print_function from cctbx import miller from libtbx.test_utils import approx_equal from cctbx import maptbx from libtbx.math_utils import ifloor, iceil from six.moves import zip pdb_str = """\ REMARK iotbx.pdb.box_around_molecule --buffer-layer=5 "model.pdb" REMARK Date 2012-05-14 Time 02:40:23 PDT -0700 (1336988423.30 s) CRYST1 53.915 59.154 55.412 90.00 90.00 90.00 P 1 ATOM 1 O5'A U A 1 37.906 44.440 32.960 0.50 57.34 O ATOM 3 C5'A U A 1 37.818 44.819 34.335 0.50 62.27 C ATOM 5 C4'A U A 1 36.577 45.625 34.622 0.50 65.36 C ATOM 7 O4'A U A 1 36.554 46.808 33.773 0.50 69.17 O ATOM 9 C3'A U A 1 35.248 44.935 34.371 0.50 66.68 C ATOM 11 O3'A U A 1 34.874 44.091 35.431 0.50 70.40 O ATOM 13 C2'A U A 1 34.289 46.101 34.212 0.50 66.50 C ATOM 15 O2'A U A 1 33.904 46.723 35.420 0.50 61.79 O ATOM 17 C1'A U A 1 35.180 47.157 33.557 0.50 62.69 C ATOM 19 N1 A U A 1 34.917 47.041 32.121 0.50 59.15 N ATOM 21 C2 A U A 1 33.758 47.622 31.657 0.50 58.64 C ATOM 23 O2 A U A 1 33.000 48.271 32.340 0.50 58.91 O ATOM 25 N3 A U A 1 33.487 47.398 30.335 0.50 57.27 N ATOM 27 C4 A U A 1 34.288 46.677 29.451 0.50 59.44 C ATOM 29 O4 A U A 1 34.020 46.494 28.276 0.50 63.06 O ATOM 31 C5 A U A 1 35.487 46.145 29.999 0.50 60.29 C ATOM 33 C6 A U A 1 35.759 46.349 31.279 0.50 58.51 C ATOM 2 O5'B U A 1 37.861 43.339 34.392 0.50 75.83 O ATOM 4 C5'B U A 1 37.933 44.526 35.189 0.50 76.43 C ATOM 6 C4'B U A 1 36.780 45.423 34.840 0.50 77.15 C ATOM 8 O4'B U A 1 37.168 46.319 33.769 0.50 80.31 O ATOM 10 C3'B U A 1 35.582 44.684 34.277 0.50 76.95 C ATOM 12 O3'B U A 1 34.818 44.089 35.325 0.50 75.56 O ATOM 14 C2'B U A 1 34.871 45.787 33.493 0.50 78.70 C ATOM 16 O2'B U A 1 34.112 46.713 34.250 0.50 78.26 O ATOM 18 C1'B U A 1 36.064 46.526 32.897 0.50 78.25 C ATOM 20 N1 B U A 1 36.426 45.918 31.632 0.50 75.39 N ATOM 22 C2 B U A 1 35.598 46.093 30.559 0.50 75.15 C ATOM 24 O2 B U A 1 34.576 46.775 30.561 0.50 75.31 O ATOM 26 N3 B U A 1 36.021 45.436 29.427 0.50 73.81 N ATOM 28 C4 B U A 1 37.159 44.671 29.328 0.50 72.68 C ATOM 30 O4 B U A 1 37.393 44.119 28.248 0.50 71.88 O ATOM 32 C5 B U A 1 37.978 44.561 30.511 0.50 73.12 C ATOM 34 C6 B U A 1 37.571 45.187 31.600 0.50 74.24 C ATOM 35 P C A 2 34.355 42.537 35.206 1.00 77.36 P ATOM 36 OP1 C A 2 33.805 42.117 36.522 1.00 70.22 O ATOM 37 OP2 C A 2 35.394 41.668 34.557 1.00 71.24 O ATOM 38 O5' C A 2 33.113 42.625 34.222 1.00 65.49 O ATOM 39 C5' C A 2 32.046 43.494 34.531 1.00 55.96 C ATOM 40 C4' C A 2 31.238 43.783 33.290 1.00 57.92 C ATOM 41 O4' C A 2 32.099 44.447 32.320 1.00 61.75 O ATOM 42 C3' C A 2 30.739 42.562 32.528 1.00 52.12 C ATOM 43 O3' C A 2 29.557 42.015 33.115 1.00 50.45 O ATOM 44 C2' C A 2 30.524 43.141 31.137 1.00 49.62 C ATOM 45 O2' C A 2 29.367 43.928 31.009 1.00 51.41 O ATOM 46 C1' C A 2 31.710 44.087 31.011 1.00 50.27 C ATOM 47 N1 C A 2 32.834 43.453 30.322 1.00 48.99 N ATOM 48 C2 C A 2 32.758 43.348 28.936 1.00 46.31 C ATOM 49 O2 C A 2 31.739 43.762 28.373 1.00 47.24 O ATOM 50 N3 C A 2 33.757 42.782 28.256 1.00 42.87 N ATOM 51 C4 C A 2 34.808 42.291 28.915 1.00 48.42 C ATOM 52 N4 C A 2 35.790 41.724 28.195 1.00 45.93 N ATOM 53 C5 C A 2 34.904 42.358 30.342 1.00 45.21 C ATOM 54 C6 C A 2 33.906 42.955 30.997 1.00 45.89 C ATOM 55 P C A 3 29.284 40.435 33.037 1.00 52.21 P ATOM 56 OP1 C A 3 28.145 40.094 33.906 1.00 56.93 O ATOM 57 OP2 C A 3 30.564 39.748 33.222 1.00 53.24 O ATOM 58 O5' C A 3 28.812 40.239 31.524 1.00 52.77 O ATOM 59 C5' C A 3 27.619 40.851 31.076 1.00 47.20 C ATOM 60 C4' C A 3 27.306 40.426 29.670 1.00 48.57 C ATOM 61 O4' C A 3 28.212 41.090 28.763 1.00 49.74 O ATOM 62 C3' C A 3 27.474 38.946 29.379 1.00 48.08 C ATOM 63 O3' C A 3 26.278 38.246 29.628 1.00 49.09 O ATOM 64 C2' C A 3 27.700 38.956 27.884 1.00 51.10 C ATOM 65 O2' C A 3 26.509 39.200 27.213 1.00 47.92 O ATOM 66 C1' C A 3 28.549 40.204 27.714 1.00 52.80 C ATOM 67 N1 C A 3 29.982 39.872 27.778 1.00 52.62 N ATOM 68 C2 C A 3 30.576 39.409 26.620 1.00 50.95 C ATOM 69 O2 C A 3 29.874 39.284 25.628 1.00 51.27 O ATOM 70 N3 C A 3 31.891 39.122 26.603 1.00 50.11 N ATOM 71 C4 C A 3 32.621 39.310 27.699 1.00 51.64 C ATOM 72 N4 C A 3 33.945 39.069 27.621 1.00 51.99 N ATOM 73 C5 C A 3 32.038 39.764 28.920 1.00 47.65 C ATOM 74 C6 C A 3 30.720 40.022 28.917 1.00 51.34 C ATOM 75 P C A 4 26.340 36.770 30.237 1.00 52.02 P ATOM 76 OP1 C A 4 24.977 36.407 30.647 1.00 57.69 O ATOM 77 OP2 C A 4 27.440 36.712 31.208 1.00 47.01 O ATOM 78 O5' C A 4 26.715 35.865 28.985 1.00 52.56 O ATOM 79 C5' C A 4 25.873 35.843 27.851 1.00 51.03 C ATOM 80 C4' C A 4 26.553 35.135 26.694 1.00 53.37 C ATOM 81 O4' C A 4 27.733 35.884 26.284 1.00 52.42 O ATOM 82 C3' C A 4 27.107 33.758 27.038 1.00 51.19 C ATOM 83 O3' C A 4 26.055 32.808 26.914 1.00 49.80 O ATOM 84 C2' C A 4 28.183 33.566 25.972 1.00 50.24 C ATOM 85 O2' C A 4 27.694 33.165 24.707 1.00 48.16 O ATOM 86 C1' C A 4 28.707 34.987 25.809 1.00 50.87 C ATOM 87 N1 C A 4 29.994 35.244 26.446 1.00 51.20 N ATOM 88 C2 C A 4 31.118 34.964 25.702 1.00 49.00 C ATOM 89 O2 C A 4 30.967 34.463 24.600 1.00 54.89 O ATOM 90 N3 C A 4 32.332 35.222 26.196 1.00 48.65 N ATOM 91 C4 C A 4 32.454 35.715 27.435 1.00 51.02 C ATOM 92 N4 C A 4 33.707 35.965 27.889 1.00 49.02 N ATOM 93 C5 C A 4 31.310 35.975 28.257 1.00 44.38 C ATOM 94 C6 C A 4 30.105 35.739 27.718 1.00 48.81 C HETATM 95 P A2M A 5 25.901 31.632 27.992 1.00 56.44 P HETATM 96 OP1 A2M A 5 24.550 31.061 27.748 1.00 57.09 O HETATM 97 OP2 A2M A 5 26.276 32.071 29.359 1.00 52.40 O HETATM 98 O5' A2M A 5 27.029 30.566 27.615 1.00 55.24 O HETATM 99 C5' A2M A 5 27.182 30.046 26.283 1.00 56.20 C HETATM 100 C4' A2M A 5 28.511 29.357 26.200 1.00 59.80 C HETATM 101 O4' A2M A 5 29.564 30.338 26.227 1.00 57.27 O HETATM 102 C3' A2M A 5 28.794 28.415 27.359 1.00 60.05 C HETATM 103 O3' A2M A 5 28.398 27.142 26.878 1.00 68.10 O HETATM 104 C2' A2M A 5 30.308 28.420 27.417 1.00 59.91 C HETATM 105 O2' A2M A 5 30.816 27.502 26.460 1.00 60.71 O HETATM 106 C1' A2M A 5 30.624 29.875 27.030 1.00 56.56 C HETATM 107 CM' A2M A 5 32.279 27.582 26.276 1.00 58.96 C HETATM 108 N9 A2M A 5 30.742 30.834 28.125 1.00 53.29 N HETATM 109 C8 A2M A 5 29.714 31.474 28.766 1.00 51.25 C HETATM 110 N7 A2M A 5 30.115 32.374 29.632 1.00 51.29 N HETATM 111 C5 A2M A 5 31.495 32.297 29.576 1.00 53.45 C HETATM 112 C6 A2M A 5 32.496 33.008 30.232 1.00 58.30 C HETATM 113 N6 A2M A 5 32.252 33.985 31.103 1.00 60.72 N HETATM 114 N1 A2M A 5 33.782 32.694 29.955 1.00 61.49 N HETATM 115 C2 A2M A 5 34.019 31.733 29.057 1.00 58.84 C HETATM 116 N3 A2M A 5 33.154 31.004 28.362 1.00 57.90 N HETATM 117 C4 A2M A 5 31.895 31.338 28.673 1.00 53.58 C ATOM 118 P G A 6 28.105 25.950 27.893 1.00 69.35 P ATOM 119 OP1 G A 6 26.631 25.896 28.049 1.00 68.98 O ATOM 120 OP2 G A 6 28.997 26.088 29.081 1.00 70.91 O ATOM 121 O5' G A 6 28.557 24.667 27.086 1.00 67.04 O ATOM 122 C5' G A 6 29.929 24.381 26.854 1.00 60.28 C ATOM 123 C4' G A 6 30.025 23.013 26.248 1.00 61.96 C ATOM 124 O4' G A 6 29.619 23.068 24.842 1.00 59.59 O ATOM 125 C3' G A 6 31.464 22.519 26.258 1.00 59.47 C ATOM 126 O3' G A 6 31.521 21.171 26.735 1.00 58.45 O ATOM 127 C2' G A 6 31.998 22.775 24.847 1.00 55.60 C ATOM 128 O2' G A 6 32.751 21.689 24.396 1.00 63.22 O ATOM 129 C1' G A 6 30.710 22.730 24.038 1.00 53.09 C ATOM 130 N9 G A 6 30.565 23.261 22.694 1.00 51.95 N ATOM 131 C8 G A 6 29.636 22.849 21.763 1.00 50.88 C ATOM 132 N7 G A 6 29.785 23.420 20.599 1.00 50.13 N ATOM 133 C5 G A 6 30.875 24.263 20.773 1.00 49.79 C ATOM 134 C6 G A 6 31.517 25.120 19.859 1.00 49.53 C ATOM 135 O6 G A 6 31.277 25.274 18.645 1.00 53.13 O ATOM 136 N1 G A 6 32.543 25.837 20.469 1.00 47.62 N ATOM 137 C2 G A 6 32.911 25.720 21.796 1.00 46.10 C ATOM 138 N2 G A 6 33.918 26.499 22.221 1.00 46.33 N ATOM 139 N3 G A 6 32.339 24.903 22.646 1.00 47.18 N ATOM 140 C4 G A 6 31.337 24.207 22.076 1.00 50.29 C ATOM 141 P U A 7 32.025 20.842 28.231 1.00 64.08 P ATOM 142 OP1 U A 7 31.581 19.443 28.502 1.00 66.76 O ATOM 143 OP2 U A 7 31.606 21.925 29.132 1.00 64.46 O ATOM 144 O5' U A 7 33.605 20.823 28.120 1.00 59.16 O ATOM 145 C5' U A 7 34.222 19.952 27.193 1.00 58.37 C ATOM 146 C4' U A 7 35.706 20.168 27.169 1.00 62.94 C ATOM 147 O4' U A 7 35.985 21.495 26.648 1.00 66.62 O ATOM 148 C3' U A 7 36.382 20.175 28.527 1.00 64.49 C ATOM 149 O3' U A 7 36.701 18.875 28.963 1.00 67.36 O ATOM 150 C2' U A 7 37.649 20.953 28.241 1.00 66.14 C ATOM 151 O2' U A 7 38.595 20.148 27.587 1.00 72.89 O ATOM 152 C1' U A 7 37.145 22.010 27.264 1.00 64.87 C ATOM 153 N1 U A 7 36.809 23.256 27.953 1.00 66.25 N ATOM 154 C2 U A 7 37.862 23.996 28.410 1.00 66.82 C ATOM 155 O2 U A 7 39.014 23.648 28.241 1.00 66.77 O ATOM 156 N3 U A 7 37.524 25.149 29.066 1.00 67.90 N ATOM 157 C4 U A 7 36.257 25.620 29.292 1.00 67.50 C ATOM 158 O4 U A 7 36.111 26.720 29.811 1.00 71.39 O ATOM 159 C5 U A 7 35.215 24.792 28.784 1.00 67.65 C ATOM 160 C6 U A 7 35.521 23.664 28.145 1.00 65.81 C ATOM 161 P C A 8 36.481 18.479 30.501 1.00 72.60 P ATOM 162 OP1 C A 8 36.926 17.076 30.621 1.00 73.55 O ATOM 163 OP2 C A 8 35.086 18.844 30.859 1.00 66.70 O ATOM 164 O5' C A 8 37.523 19.377 31.293 1.00 69.11 O ATOM 165 C5' C A 8 38.905 19.262 31.001 1.00 73.33 C ATOM 166 C4' C A 8 39.687 20.336 31.714 1.00 73.96 C ATOM 167 O4' C A 8 39.411 21.623 31.109 1.00 74.82 O ATOM 168 C3' C A 8 39.318 20.532 33.173 1.00 76.76 C ATOM 169 O3' C A 8 40.014 19.634 34.004 1.00 80.65 O ATOM 170 C2' C A 8 39.777 21.953 33.433 1.00 76.18 C ATOM 171 O2' C A 8 41.168 22.010 33.633 1.00 75.82 O ATOM 172 C1' C A 8 39.409 22.629 32.114 1.00 76.03 C ATOM 173 N1 C A 8 38.060 23.201 32.187 1.00 74.37 N ATOM 174 C2 C A 8 37.906 24.517 32.653 1.00 74.82 C ATOM 175 O2 C A 8 38.900 25.144 33.039 1.00 75.85 O ATOM 176 N3 C A 8 36.682 25.066 32.683 1.00 74.24 N ATOM 177 C4 C A 8 35.627 24.353 32.296 1.00 74.34 C ATOM 178 N4 C A 8 34.439 24.949 32.330 1.00 72.43 N ATOM 179 C5 C A 8 35.747 22.995 31.851 1.00 72.75 C ATOM 180 C6 C A 8 36.972 22.469 31.807 1.00 71.45 C ATOM 181 P C A 9 39.274 19.006 35.275 1.00 84.79 P ATOM 182 OP1 C A 9 40.195 17.952 35.753 1.00 88.03 O ATOM 183 OP2 C A 9 37.864 18.647 34.941 1.00 80.94 O ATOM 184 O5' C A 9 39.255 20.216 36.311 1.00 84.01 O ATOM 185 C5' C A 9 40.464 20.832 36.731 1.00 84.57 C ATOM 186 C4' C A 9 40.177 22.003 37.652 1.00 89.03 C ATOM 187 O4' C A 9 39.538 23.075 36.896 1.00 87.03 O ATOM 188 C3' C A 9 39.195 21.739 38.787 1.00 91.40 C ATOM 189 O3' C A 9 39.778 21.078 39.911 1.00 93.63 O ATOM 190 C2' C A 9 38.693 23.143 39.115 1.00 90.47 C ATOM 191 O2' C A 9 39.599 23.901 39.896 1.00 95.08 O ATOM 192 C1' C A 9 38.611 23.766 37.723 1.00 86.03 C ATOM 193 N1 C A 9 37.260 23.660 37.145 1.00 82.38 N ATOM 194 C2 C A 9 36.316 24.636 37.472 1.00 79.65 C ATOM 195 O2 C A 9 36.651 25.555 38.219 1.00 82.76 O ATOM 196 N3 C A 9 35.071 24.551 36.969 1.00 76.16 N ATOM 197 C4 C A 9 34.751 23.541 36.161 1.00 76.23 C ATOM 198 N4 C A 9 33.512 23.494 35.678 1.00 75.12 N ATOM 199 C5 C A 9 35.689 22.532 35.808 1.00 77.16 C ATOM 200 C6 C A 9 36.922 22.629 36.315 1.00 80.49 C ATOM 201 P A A 10 38.839 20.211 40.903 1.00 98.76 P ATOM 202 OP1 A A 10 39.749 19.602 41.900 1.00 97.65 O ATOM 203 OP2 A A 10 37.913 19.337 40.122 1.00 92.07 O ATOM 204 O5' A A 10 37.963 21.308 41.658 1.00 96.14 O ATOM 205 C5' A A 10 38.594 22.322 42.434 1.00 95.22 C ATOM 206 C4' A A 10 37.562 23.244 43.042 1.00 95.17 C ATOM 207 O4' A A 10 36.978 24.081 42.007 1.00 91.86 O ATOM 208 C3' A A 10 36.366 22.557 43.681 1.00 97.19 C ATOM 209 O3' A A 10 36.643 22.122 45.009 1.00100.89 O ATOM 210 C2' A A 10 35.310 23.654 43.639 1.00 93.71 C ATOM 211 O2' A A 10 35.509 24.611 44.654 1.00 95.51 O ATOM 212 C1' A A 10 35.603 24.302 42.288 1.00 88.77 C ATOM 213 N9 A A 10 34.817 23.683 41.228 1.00 84.63 N ATOM 214 C8 A A 10 35.228 22.725 40.335 1.00 83.63 C ATOM 215 N7 A A 10 34.292 22.348 39.497 1.00 83.34 N ATOM 216 C5 A A 10 33.191 23.113 39.861 1.00 82.21 C ATOM 217 C6 A A 10 31.877 23.184 39.356 1.00 81.37 C ATOM 218 N6 A A 10 31.436 22.449 38.332 1.00 81.39 N ATOM 219 N1 A A 10 31.022 24.048 39.948 1.00 81.70 N ATOM 220 C2 A A 10 31.470 24.782 40.976 1.00 81.42 C ATOM 221 N3 A A 10 32.680 24.803 41.538 1.00 81.31 N ATOM 222 C4 A A 10 33.501 23.937 40.927 1.00 82.32 C ATOM 223 P C A 11 35.982 20.762 45.552 1.00103.62 P ATOM 224 OP1 C A 11 36.828 20.343 46.695 1.00103.61 O ATOM 225 OP2 C A 11 35.768 19.830 44.407 1.00102.19 O ATOM 226 O5' C A 11 34.547 21.207 46.077 1.00101.61 O ATOM 227 C5' C A 11 34.424 22.135 47.143 1.00101.79 C ATOM 228 C4' C A 11 33.060 22.773 47.123 1.00102.59 C ATOM 229 O4' C A 11 32.884 23.444 45.841 1.00100.88 O ATOM 230 C3' C A 11 31.882 21.813 47.177 1.00104.06 C ATOM 231 O3' C A 11 31.569 21.358 48.485 1.00108.23 O ATOM 232 C2' C A 11 30.768 22.646 46.554 1.00102.75 C ATOM 233 O2' C A 11 30.217 23.610 47.439 1.00103.58 O ATOM 234 C1' C A 11 31.527 23.352 45.431 1.00 98.23 C ATOM 235 N1 C A 11 31.462 22.568 44.188 1.00 93.91 N ATOM 236 C2 C A 11 30.271 22.595 43.436 1.00 92.01 C ATOM 237 O2 C A 11 29.334 23.309 43.819 1.00 91.87 O ATOM 238 N3 C A 11 30.173 21.845 42.323 1.00 90.30 N ATOM 239 C4 C A 11 31.197 21.084 41.944 1.00 91.18 C ATOM 240 N4 C A 11 31.035 20.340 40.849 1.00 91.02 N ATOM 241 C5 C A 11 32.431 21.047 42.674 1.00 91.53 C ATOM 242 C6 C A 11 32.519 21.804 43.777 1.00 92.37 C ATOM 243 P C A 12 30.796 19.956 48.665 1.00112.22 P ATOM 244 OP1 C A 12 30.641 19.697 50.117 1.00112.01 O ATOM 245 OP2 C A 12 31.484 18.957 47.810 1.00111.76 O ATOM 246 O5' C A 12 29.347 20.213 48.056 1.00108.28 O ATOM 247 C5' C A 12 28.459 21.109 48.695 1.00106.06 C ATOM 248 C4' C A 12 27.142 21.176 47.963 1.00106.41 C ATOM 249 O4' C A 12 27.372 21.636 46.598 1.00104.55 O ATOM 250 C3' C A 12 26.454 19.839 47.744 1.00107.16 C ATOM 251 O3' C A 12 25.756 19.349 48.877 1.00110.19 O ATOM 252 C2' C A 12 25.533 20.130 46.564 1.00105.41 C ATOM 253 O2' C A 12 24.346 20.829 46.895 1.00106.19 O ATOM 254 C1' C A 12 26.421 21.036 45.723 1.00101.36 C ATOM 255 N1 C A 12 27.105 20.256 44.683 1.00 96.70 N ATOM 256 C2 C A 12 26.362 19.888 43.543 1.00 95.13 C ATOM 257 O2 C A 12 25.161 20.237 43.469 1.00 91.43 O ATOM 258 N3 C A 12 26.965 19.162 42.564 1.00 93.33 N ATOM 259 C4 C A 12 28.246 18.799 42.696 1.00 93.85 C ATOM 260 N4 C A 12 28.797 18.090 41.711 1.00 93.47 N ATOM 261 C5 C A 12 29.019 19.152 43.847 1.00 94.03 C ATOM 262 C6 C A 12 28.414 19.879 44.805 1.00 95.69 C ATOM 263 P G A 13 25.551 17.759 49.046 1.00112.02 P ATOM 264 OP1 G A 13 24.994 17.553 50.412 1.00112.22 O ATOM 265 OP2 G A 13 26.836 17.106 48.667 1.00110.53 O ATOM 266 O5' G A 13 24.433 17.373 47.966 1.00107.61 O ATOM 267 C5' G A 13 23.084 17.821 48.131 1.00103.22 C ATOM 268 C4' G A 13 22.224 17.406 46.957 1.00 99.90 C ATOM 269 O4' G A 13 22.762 17.985 45.738 1.00 97.54 O ATOM 270 C3' G A 13 22.174 15.918 46.657 1.00 99.56 C ATOM 271 O3' G A 13 21.362 15.173 47.563 1.00100.46 O ATOM 272 C2' G A 13 21.781 15.894 45.179 1.00 97.68 C ATOM 273 O2' G A 13 20.402 16.100 44.921 1.00 97.87 O ATOM 274 C1' G A 13 22.563 17.094 44.650 1.00 91.21 C ATOM 275 N9 G A 13 23.866 16.727 44.099 1.00 84.79 N ATOM 276 C8 G A 13 25.097 16.798 44.718 1.00 82.35 C ATOM 277 N7 G A 13 26.078 16.389 43.952 1.00 80.09 N ATOM 278 C5 G A 13 25.457 16.023 42.758 1.00 78.41 C ATOM 279 C6 G A 13 26.005 15.482 41.549 1.00 77.13 C ATOM 280 O6 G A 13 27.199 15.224 41.277 1.00 76.18 O ATOM 281 N1 G A 13 25.010 15.240 40.603 1.00 74.49 N ATOM 282 C2 G A 13 23.669 15.488 40.783 1.00 77.08 C ATOM 283 N2 G A 13 22.857 15.181 39.749 1.00 76.33 N ATOM 284 N3 G A 13 23.151 15.997 41.895 1.00 79.00 N ATOM 285 C4 G A 13 24.094 16.231 42.833 1.00 80.18 C TER ATOM 287 O5' C B 2 26.224 13.476 31.918 1.00103.85 O ATOM 288 C5' C B 2 24.979 12.840 31.589 1.00101.65 C ATOM 289 C4' C B 2 23.870 13.050 32.606 1.00100.98 C ATOM 290 O4' C B 2 24.178 12.312 33.830 1.00 98.41 O ATOM 291 C3' C B 2 23.689 14.480 33.104 1.00101.72 C ATOM 292 O3' C B 2 23.017 15.346 32.185 1.00103.99 O ATOM 293 C2' C B 2 22.987 14.278 34.453 1.00 98.02 C ATOM 294 O2' C B 2 21.586 14.040 34.391 1.00 96.50 O ATOM 295 C1' C B 2 23.710 13.034 34.974 1.00 92.73 C ATOM 296 N1 C B 2 24.866 13.385 35.833 1.00 86.15 N ATOM 297 C2 C B 2 24.617 13.846 37.133 1.00 83.53 C ATOM 298 O2 C B 2 23.436 13.920 37.523 1.00 82.50 O ATOM 299 N3 C B 2 25.664 14.199 37.927 1.00 81.28 N ATOM 300 C4 C B 2 26.919 14.106 37.462 1.00 82.42 C ATOM 301 N4 C B 2 27.927 14.484 38.268 1.00 81.86 N ATOM 302 C5 C B 2 27.202 13.626 36.147 1.00 82.13 C ATOM 303 C6 C B 2 26.155 13.278 35.374 1.00 84.92 C ATOM 304 P G B 3 23.377 16.924 32.170 1.00103.37 P ATOM 305 OP1 G B 3 22.650 17.474 30.999 1.00103.13 O ATOM 306 OP2 G B 3 24.865 17.125 32.288 1.00 96.01 O ATOM 307 O5' G B 3 22.663 17.479 33.485 1.00 99.96 O ATOM 308 C5' G B 3 21.271 17.265 33.681 1.00 97.40 C ATOM 309 C4' G B 3 20.844 17.733 35.051 1.00 98.00 C ATOM 310 O4' G B 3 21.418 16.858 36.059 1.00 95.41 O ATOM 311 C3' G B 3 21.327 19.116 35.469 1.00100.94 C ATOM 312 O3' G B 3 20.567 20.185 34.902 1.00105.92 O ATOM 313 C2' G B 3 21.244 19.032 36.991 1.00 97.36 C ATOM 314 O2' G B 3 19.926 19.134 37.495 1.00 98.15 O ATOM 315 C1' G B 3 21.733 17.609 37.226 1.00 91.40 C ATOM 316 N9 G B 3 23.177 17.602 37.412 1.00 86.04 N ATOM 317 C8 G B 3 24.137 17.173 36.525 1.00 84.91 C ATOM 318 N7 G B 3 25.353 17.284 36.991 1.00 83.38 N ATOM 319 C5 G B 3 25.184 17.819 38.262 1.00 82.96 C ATOM 320 C6 G B 3 26.143 18.146 39.254 1.00 82.52 C ATOM 321 O6 G B 3 27.384 18.011 39.209 1.00 84.20 O ATOM 322 N1 G B 3 25.536 18.673 40.392 1.00 81.55 N ATOM 323 C2 G B 3 24.178 18.861 40.555 1.00 81.91 C ATOM 324 N2 G B 3 23.784 19.412 41.718 1.00 82.33 N ATOM 325 N3 G B 3 23.273 18.542 39.644 1.00 81.67 N ATOM 326 C4 G B 3 23.844 18.031 38.531 1.00 83.91 C ATOM 327 P G B 4 21.293 21.588 34.558 1.00106.52 P ATOM 328 OP1 G B 4 20.285 22.367 33.782 1.00105.17 O ATOM 329 OP2 G B 4 22.636 21.315 33.975 1.00103.11 O ATOM 330 O5' G B 4 21.509 22.262 35.984 1.00101.42 O ATOM 331 C5' G B 4 20.438 22.278 36.908 1.00100.43 C ATOM 332 C4' G B 4 20.869 22.897 38.201 1.00 99.09 C ATOM 333 O4' G B 4 21.642 21.945 38.979 1.00 96.04 O ATOM 334 C3' G B 4 21.822 24.057 38.023 1.00 99.81 C ATOM 335 O3' G B 4 21.132 25.229 37.623 1.00105.35 O ATOM 336 C2' G B 4 22.495 24.124 39.390 1.00 95.87 C ATOM 337 O2' G B 4 21.672 24.720 40.371 1.00 93.32 O ATOM 338 C1' G B 4 22.641 22.638 39.716 1.00 92.41 C ATOM 339 N9 G B 4 23.949 22.133 39.322 1.00 85.05 N ATOM 340 C8 G B 4 24.278 21.493 38.152 1.00 84.17 C ATOM 341 N7 G B 4 25.549 21.190 38.073 1.00 82.20 N ATOM 342 C5 G B 4 26.083 21.653 39.267 1.00 80.72 C ATOM 343 C6 G B 4 27.418 21.623 39.746 1.00 81.39 C ATOM 344 O6 G B 4 28.437 21.153 39.195 1.00 81.97 O ATOM 345 N1 G B 4 27.517 22.218 41.000 1.00 81.19 N ATOM 346 C2 G B 4 26.467 22.767 41.702 1.00 79.78 C ATOM 347 N2 G B 4 26.775 23.304 42.901 1.00 79.64 N ATOM 348 N3 G B 4 25.217 22.792 41.266 1.00 79.06 N ATOM 349 C4 G B 4 25.102 22.229 40.051 1.00 80.96 C ATOM 350 P U B 5 21.961 26.484 37.052 1.00106.60 P ATOM 351 OP1 U B 5 21.070 27.231 36.122 1.00106.25 O ATOM 352 OP2 U B 5 23.299 26.040 36.578 1.00105.20 O ATOM 353 O5' U B 5 22.201 27.331 38.375 1.00102.23 O ATOM 354 C5' U B 5 23.326 28.160 38.478 1.00100.44 C ATOM 355 C4' U B 5 23.878 28.134 39.874 1.00 98.12 C ATOM 356 O4' U B 5 24.119 26.773 40.300 1.00 96.77 O ATOM 357 C3' U B 5 25.226 28.800 39.979 1.00 99.87 C ATOM 358 O3' U B 5 25.090 30.197 40.004 1.00102.93 O ATOM 359 C2' U B 5 25.823 28.154 41.211 1.00 95.31 C ATOM 360 O2' U B 5 25.306 28.715 42.402 1.00 93.90 O ATOM 361 C1' U B 5 25.356 26.711 41.009 1.00 91.70 C ATOM 362 N1 U B 5 26.288 25.976 40.133 1.00 86.55 N ATOM 363 C2 U B 5 27.630 25.841 40.510 1.00 84.98 C ATOM 364 O2 U B 5 28.087 26.308 41.549 1.00 84.98 O ATOM 365 N3 U B 5 28.414 25.140 39.614 1.00 81.70 N ATOM 366 C4 U B 5 28.001 24.582 38.410 1.00 80.83 C ATOM 367 O4 U B 5 28.814 24.001 37.700 1.00 78.29 O ATOM 368 C5 U B 5 26.615 24.766 38.104 1.00 81.69 C ATOM 369 C6 U B 5 25.828 25.436 38.948 1.00 83.47 C ATOM 370 P G B 6 25.787 31.046 38.844 1.00104.92 P ATOM 371 OP1 G B 6 25.145 32.388 38.867 1.00105.88 O ATOM 372 OP2 G B 6 25.771 30.232 37.592 1.00 99.78 O ATOM 373 O5' G B 6 27.284 31.157 39.362 1.00 96.16 O ATOM 374 C5' G B 6 27.523 31.596 40.678 1.00 89.27 C ATOM 375 C4' G B 6 28.917 31.242 41.098 1.00 86.03 C ATOM 376 O4' G B 6 29.039 29.800 41.187 1.00 84.86 O ATOM 377 C3' G B 6 29.977 31.617 40.088 1.00 82.81 C ATOM 378 O3' G B 6 30.313 32.985 40.174 1.00 84.95 O ATOM 379 C2' G B 6 31.118 30.687 40.459 1.00 80.99 C ATOM 380 O2' G B 6 31.875 31.126 41.568 1.00 81.46 O ATOM 381 C1' G B 6 30.352 29.416 40.818 1.00 78.89 C ATOM 382 N9 G B 6 30.266 28.520 39.676 1.00 73.16 N ATOM 383 C8 G B 6 29.181 28.292 38.870 1.00 72.56 C ATOM 384 N7 G B 6 29.437 27.449 37.904 1.00 73.21 N ATOM 385 C5 G B 6 30.768 27.097 38.100 1.00 70.41 C ATOM 386 C6 G B 6 31.596 26.213 37.380 1.00 70.18 C ATOM 387 O6 G B 6 31.301 25.522 36.395 1.00 72.55 O ATOM 388 N1 G B 6 32.883 26.157 37.916 1.00 67.63 N ATOM 389 C2 G B 6 33.303 26.853 39.020 1.00 68.56 C ATOM 390 N2 G B 6 34.565 26.663 39.408 1.00 65.54 N ATOM 391 N3 G B 6 32.534 27.676 39.702 1.00 69.43 N ATOM 392 C4 G B 6 31.289 27.749 39.189 1.00 70.65 C ATOM 393 P A B 7 30.862 33.741 38.875 1.00 83.05 P ATOM 394 OP1 A B 7 31.033 35.157 39.256 1.00 88.02 O ATOM 395 OP2 A B 7 29.967 33.393 37.735 1.00 79.70 O ATOM 396 O5' A B 7 32.318 33.129 38.692 1.00 80.77 O ATOM 397 C5' A B 7 33.296 33.308 39.708 1.00 80.33 C ATOM 398 C4' A B 7 34.494 32.431 39.451 1.00 80.20 C ATOM 399 O4' A B 7 34.074 31.047 39.434 1.00 82.21 O ATOM 400 C3' A B 7 35.162 32.625 38.108 1.00 80.41 C ATOM 401 O3' A B 7 36.103 33.668 38.167 1.00 82.78 O ATOM 402 C2' A B 7 35.857 31.293 37.889 1.00 79.12 C ATOM 403 O2' A B 7 37.089 31.216 38.575 1.00 76.90 O ATOM 404 C1' A B 7 34.824 30.328 38.465 1.00 78.54 C ATOM 405 N9 A B 7 33.883 29.863 37.448 1.00 75.68 N ATOM 406 C8 A B 7 32.588 30.272 37.257 1.00 74.73 C ATOM 407 N7 A B 7 31.973 29.648 36.283 1.00 74.35 N ATOM 408 C5 A B 7 32.931 28.773 35.802 1.00 73.47 C ATOM 409 C6 A B 7 32.897 27.828 34.785 1.00 71.54 C ATOM 410 N6 A B 7 31.803 27.563 34.076 1.00 68.52 N ATOM 411 N1 A B 7 34.030 27.141 34.527 1.00 71.59 N ATOM 412 C2 A B 7 35.115 27.382 35.279 1.00 73.10 C ATOM 413 N3 A B 7 35.263 28.234 36.286 1.00 74.66 N ATOM 414 C4 A B 7 34.119 28.908 36.497 1.00 74.10 C ATOM 415 P G B 8 36.266 34.625 36.907 1.00 83.61 P ATOM 416 OP1 G B 8 37.308 35.641 37.208 1.00 83.55 O ATOM 417 OP2 G B 8 34.885 35.056 36.528 1.00 75.12 O ATOM 418 O5' G B 8 36.830 33.647 35.774 1.00 86.85 O ATOM 419 C5' G B 8 37.831 32.636 36.039 1.00 85.83 C ATOM 420 C4' G B 8 38.082 31.817 34.775 1.00 84.51 C ATOM 421 O4' G B 8 36.934 30.951 34.480 1.00 84.19 O ATOM 422 C3' G B 8 38.166 32.811 33.624 1.00 80.14 C ATOM 423 O3' G B 8 39.265 32.572 32.743 1.00 78.58 O ATOM 424 C2' G B 8 36.767 32.827 33.038 1.00 82.00 C ATOM 425 O2' G B 8 36.685 33.038 31.637 1.00 80.31 O ATOM 426 C1' G B 8 36.275 31.417 33.325 1.00 77.89 C ATOM 427 N9 G B 8 34.835 31.425 33.499 1.00 75.97 N ATOM 428 C8 G B 8 34.083 32.256 34.301 1.00 74.85 C ATOM 429 N7 G B 8 32.800 32.092 34.145 1.00 73.54 N ATOM 430 C5 G B 8 32.705 31.076 33.208 1.00 74.02 C ATOM 431 C6 G B 8 31.575 30.481 32.636 1.00 75.48 C ATOM 432 O6 G B 8 30.382 30.751 32.841 1.00 74.83 O ATOM 433 N1 G B 8 31.930 29.475 31.722 1.00 76.90 N ATOM 434 C2 G B 8 33.227 29.104 31.407 1.00 76.03 C ATOM 435 N2 G B 8 33.375 28.096 30.503 1.00 74.16 N ATOM 436 N3 G B 8 34.295 29.676 31.939 1.00 74.97 N ATOM 437 C4 G B 8 33.960 30.643 32.820 1.00 74.92 C ATOM 438 P A B 9 39.672 33.646 31.616 1.00 76.40 P ATOM 439 OP1 A B 9 40.522 34.688 32.233 1.00 76.89 O ATOM 440 OP2 A B 9 38.490 34.041 30.802 1.00 72.01 O ATOM 441 O5' A B 9 40.652 32.803 30.700 1.00 74.00 O ATOM 442 C5' A B 9 41.680 32.035 31.291 1.00 69.32 C ATOM 443 C4' A B 9 41.998 30.852 30.426 1.00 67.69 C ATOM 444 O4' A B 9 40.968 29.848 30.581 1.00 67.77 O ATOM 445 C3' A B 9 41.976 31.142 28.939 1.00 68.52 C ATOM 446 O3' A B 9 43.210 31.663 28.506 1.00 68.85 O ATOM 447 C2' A B 9 41.741 29.766 28.349 1.00 65.15 C ATOM 448 O2' A B 9 42.911 28.991 28.448 1.00 69.19 O ATOM 449 C1' A B 9 40.771 29.175 29.354 1.00 62.35 C ATOM 450 N9 A B 9 39.376 29.299 28.971 1.00 62.21 N ATOM 451 C8 A B 9 38.410 30.070 29.542 1.00 60.88 C ATOM 452 N7 A B 9 37.226 29.898 29.020 1.00 60.38 N ATOM 453 C5 A B 9 37.433 28.962 28.032 1.00 59.90 C ATOM 454 C6 A B 9 36.570 28.343 27.141 1.00 60.91 C ATOM 455 N6 A B 9 35.254 28.554 27.118 1.00 59.91 N ATOM 456 N1 A B 9 37.100 27.471 26.263 1.00 62.99 N ATOM 457 C2 A B 9 38.412 27.238 26.307 1.00 62.04 C ATOM 458 N3 A B 9 39.324 27.746 27.118 1.00 63.59 N ATOM 459 C4 A B 9 38.759 28.608 27.969 1.00 61.53 C ATOM 460 P A B 10 43.212 32.832 27.422 1.00 72.71 P ATOM 461 OP1 A B 10 44.630 33.207 27.208 1.00 75.61 O ATOM 462 OP2 A B 10 42.228 33.852 27.861 1.00 71.52 O ATOM 463 O5' A B 10 42.640 32.138 26.106 1.00 69.96 O ATOM 464 C5' A B 10 43.441 31.227 25.361 1.00 66.83 C ATOM 465 C4' A B 10 42.671 30.698 24.173 1.00 62.38 C ATOM 466 O4' A B 10 41.569 29.900 24.655 1.00 59.31 O ATOM 467 C3' A B 10 42.006 31.758 23.327 1.00 62.42 C ATOM 468 O3' A B 10 42.898 32.269 22.355 1.00 64.28 O ATOM 469 C2' A B 10 40.891 30.978 22.672 1.00 61.32 C ATOM 470 O2' A B 10 41.394 30.180 21.638 1.00 65.89 O ATOM 471 C1' A B 10 40.463 30.052 23.805 1.00 57.55 C ATOM 472 N9 A B 10 39.339 30.568 24.583 1.00 57.71 N ATOM 473 C8 A B 10 39.345 31.302 25.744 1.00 56.84 C ATOM 474 N7 A B 10 38.153 31.652 26.153 1.00 54.78 N ATOM 475 C5 A B 10 37.302 31.103 25.209 1.00 55.30 C ATOM 476 C6 A B 10 35.907 31.129 25.057 1.00 53.85 C ATOM 477 N6 A B 10 35.072 31.693 25.920 1.00 54.75 N ATOM 478 N1 A B 10 35.381 30.526 23.975 1.00 54.59 N ATOM 479 C2 A B 10 36.203 29.897 23.138 1.00 55.20 C ATOM 480 N3 A B 10 37.529 29.775 23.185 1.00 55.21 N ATOM 481 C4 A B 10 38.021 30.421 24.246 1.00 56.60 C ATOM 482 P G B 11 42.721 33.777 21.843 1.00 63.40 P ATOM 483 OP1 G B 11 43.745 34.065 20.819 1.00 68.96 O ATOM 484 OP2 G B 11 42.651 34.614 23.060 1.00 65.83 O ATOM 485 O5' G B 11 41.306 33.770 21.121 1.00 63.27 O ATOM 486 C5' G B 11 41.122 33.050 19.923 1.00 59.49 C ATOM 487 C4' G B 11 39.672 33.055 19.529 1.00 59.44 C ATOM 488 O4' G B 11 38.905 32.374 20.563 1.00 53.44 O ATOM 489 C3' G B 11 39.025 34.427 19.444 1.00 57.48 C ATOM 490 O3' G B 11 39.279 35.086 18.219 1.00 56.41 O ATOM 491 C2' G B 11 37.551 34.086 19.623 1.00 57.69 C ATOM 492 O2' G B 11 36.968 33.539 18.460 1.00 53.90 O ATOM 493 C1' G B 11 37.627 32.981 20.676 1.00 55.66 C ATOM 494 N9 G B 11 37.486 33.501 22.029 1.00 55.80 N ATOM 495 C8 G B 11 38.510 33.774 22.902 1.00 55.12 C ATOM 496 N7 G B 11 38.088 34.221 24.054 1.00 54.78 N ATOM 497 C5 G B 11 36.705 34.258 23.930 1.00 52.40 C ATOM 498 C6 G B 11 35.728 34.667 24.854 1.00 52.86 C ATOM 499 O6 G B 11 35.903 35.059 26.014 1.00 52.22 O ATOM 500 N1 G B 11 34.439 34.565 24.327 1.00 48.11 N ATOM 501 C2 G B 11 34.153 34.091 23.074 1.00 50.13 C ATOM 502 N2 G B 11 32.860 34.032 22.730 1.00 48.74 N ATOM 503 N3 G B 11 35.071 33.695 22.207 1.00 50.45 N ATOM 504 C4 G B 11 36.314 33.812 22.695 1.00 51.59 C ATOM 505 P G B 12 39.131 36.692 18.130 1.00 60.24 P ATOM 506 OP1 G B 12 39.581 37.142 16.791 1.00 61.86 O ATOM 507 OP2 G B 12 39.756 37.254 19.353 1.00 60.89 O ATOM 508 O5' G B 12 37.570 36.977 18.179 1.00 59.43 O ATOM 509 C5' G B 12 36.735 36.509 17.146 1.00 52.53 C ATOM 510 C4' G B 12 35.283 36.714 17.487 1.00 51.32 C ATOM 511 O4' G B 12 34.947 35.950 18.679 1.00 54.22 O ATOM 512 C3' G B 12 34.902 38.118 17.881 1.00 56.34 C ATOM 513 O3' G B 12 34.692 38.951 16.771 1.00 60.40 O ATOM 514 C2' G B 12 33.615 37.887 18.645 1.00 55.10 C ATOM 515 O2' G B 12 32.591 37.544 17.729 1.00 58.43 O ATOM 516 C1' G B 12 33.972 36.640 19.434 1.00 49.61 C ATOM 517 N9 G B 12 34.553 36.995 20.720 1.00 52.52 N ATOM 518 C8 G B 12 35.878 37.038 21.053 1.00 50.10 C ATOM 519 N7 G B 12 36.070 37.377 22.303 1.00 48.36 N ATOM 520 C5 G B 12 34.802 37.586 22.808 1.00 46.17 C ATOM 521 C6 G B 12 34.383 38.001 24.096 1.00 49.14 C ATOM 522 O6 G B 12 35.074 38.294 25.079 1.00 50.16 O ATOM 523 N1 G B 12 33.007 38.088 24.180 1.00 45.72 N ATOM 524 C2 G B 12 32.152 37.832 23.151 1.00 47.51 C ATOM 525 N2 G B 12 30.852 37.990 23.403 1.00 49.65 N ATOM 526 N3 G B 12 32.532 37.459 21.950 1.00 48.66 N ATOM 527 C4 G B 12 33.858 37.356 21.852 1.00 47.72 C ATOM 528 P G B 13 35.045 40.508 16.892 1.00 61.42 P ATOM 529 OP1 G B 13 34.858 41.052 15.531 1.00 65.30 O ATOM 530 OP2 G B 13 36.357 40.625 17.564 1.00 59.63 O ATOM 531 O5' G B 13 33.896 41.068 17.833 1.00 58.71 O ATOM 532 C5' G B 13 32.538 40.935 17.445 1.00 58.31 C ATOM 533 C4' G B 13 31.603 41.352 18.559 1.00 59.53 C ATOM 534 O4' G B 13 31.791 40.469 19.701 1.00 61.57 O ATOM 535 C3' G B 13 31.839 42.743 19.135 1.00 61.46 C ATOM 536 O3' G B 13 31.146 43.702 18.326 1.00 71.10 O ATOM 537 C2' G B 13 31.196 42.612 20.507 1.00 56.49 C ATOM 538 O2' G B 13 29.801 42.627 20.403 1.00 59.75 O ATOM 539 C1' G B 13 31.557 41.183 20.897 1.00 53.91 C ATOM 540 N9 G B 13 32.734 41.124 21.743 1.00 49.46 N ATOM 541 C8 G B 13 34.001 40.785 21.391 1.00 51.09 C ATOM 542 N7 G B 13 34.855 40.903 22.380 1.00 50.49 N ATOM 543 C5 G B 13 34.086 41.329 23.443 1.00 47.04 C ATOM 544 C6 G B 13 34.455 41.609 24.785 1.00 48.96 C ATOM 545 O6 G B 13 35.583 41.539 25.308 1.00 48.68 O ATOM 546 N1 G B 13 33.356 41.991 25.544 1.00 45.84 N ATOM 547 C2 G B 13 32.073 42.089 25.063 1.00 47.53 C ATOM 548 N2 G B 13 31.146 42.501 25.930 1.00 47.30 N ATOM 549 N3 G B 13 31.724 41.815 23.816 1.00 45.21 N ATOM 550 C4 G B 13 32.773 41.449 23.073 1.00 46.90 C HETATM 551 P S9L B 14 31.660 45.241 18.212 1.00 69.84 P HETATM 552 O1P S9L B 14 31.014 45.645 16.906 1.00 76.30 O HETATM 553 O2P S9L B 14 33.044 45.058 18.504 1.00 66.21 O HETATM 554 O5' S9L B 14 30.658 45.866 19.300 1.00 76.43 O HETATM 555 C12 S9L B 14 29.236 45.722 19.239 1.00 78.69 C HETATM 556 C22 S9L B 14 28.684 45.865 20.666 1.00 84.29 C HETATM 557 OH3 S9L B 14 27.924 47.069 20.730 1.00 94.37 O HETATM 558 C13 S9L B 14 28.692 49.385 20.217 1.00100.58 C HETATM 559 C23 S9L B 14 28.690 48.191 21.229 1.00 98.80 C HETATM 560 OH4 S9L B 14 27.497 50.214 20.310 1.00102.60 O HETATM 561 C14 S9L B 14 26.333 50.989 22.377 1.00 92.67 C HETATM 562 C24 S9L B 14 27.512 51.199 21.383 1.00 96.17 C HETATM 563 O3' S9L B 14 25.173 50.426 21.719 1.00 73.20 O ATOM 564 P G B 15 24.192 49.178 21.989 1.00 69.55 P ATOM 565 OP1 G B 15 24.945 48.001 22.522 1.00 76.38 O ATOM 566 OP2 G B 15 23.305 49.000 20.814 1.00 72.01 O ATOM 567 O5' G B 15 23.217 49.700 23.136 1.00 73.84 O ATOM 568 C5' G B 15 23.707 50.230 24.358 1.00 65.47 C ATOM 569 C4' G B 15 22.565 50.385 25.324 1.00 66.27 C ATOM 570 O4' G B 15 21.717 51.499 24.915 1.00 64.75 O ATOM 571 C3' G B 15 21.627 49.183 25.402 1.00 64.91 C ATOM 572 O3' G B 15 22.166 48.281 26.368 1.00 60.73 O ATOM 573 C2' G B 15 20.342 49.832 25.918 1.00 63.91 C ATOM 574 O2' G B 15 20.411 50.087 27.310 1.00 64.83 O ATOM 575 C1' G B 15 20.369 51.186 25.202 1.00 62.09 C ATOM 576 N9 G B 15 19.633 51.137 23.952 1.00 60.46 N ATOM 577 C8 G B 15 20.138 51.020 22.685 1.00 60.90 C ATOM 578 N7 G B 15 19.210 50.949 21.774 1.00 59.14 N ATOM 579 C5 G B 15 18.027 51.053 22.490 1.00 58.62 C ATOM 580 C6 G B 15 16.676 51.059 22.045 1.00 58.04 C ATOM 581 O6 G B 15 16.246 51.000 20.881 1.00 53.38 O ATOM 582 N1 G B 15 15.794 51.154 23.111 1.00 56.42 N ATOM 583 C2 G B 15 16.166 51.270 24.433 1.00 59.99 C ATOM 584 N2 G B 15 15.180 51.375 25.343 1.00 58.74 N ATOM 585 N3 G B 15 17.417 51.290 24.845 1.00 58.28 N ATOM 586 C4 G B 15 18.282 51.170 23.832 1.00 57.37 C ATOM 587 P G B 16 21.754 46.732 26.371 1.00 59.34 P ATOM 588 OP1 G B 16 22.754 46.145 27.283 1.00 68.53 O ATOM 589 OP2 G B 16 21.473 46.119 25.052 1.00 53.87 O ATOM 590 O5' G B 16 20.345 46.633 27.086 1.00 63.40 O ATOM 591 C5' G B 16 20.170 47.008 28.430 1.00 62.51 C ATOM 592 C4' G B 16 18.703 46.972 28.737 1.00 67.29 C ATOM 593 O4' G B 16 18.055 48.071 28.037 1.00 66.52 O ATOM 594 C3' G B 16 17.995 45.743 28.198 1.00 67.40 C ATOM 595 O3' G B 16 18.115 44.609 29.038 1.00 63.09 O ATOM 596 C2' G B 16 16.563 46.235 28.081 1.00 67.38 C ATOM 597 O2' G B 16 15.951 46.331 29.347 1.00 69.53 O ATOM 598 C1' G B 16 16.785 47.651 27.564 1.00 66.84 C ATOM 599 N9 G B 16 16.803 47.691 26.105 1.00 67.07 N ATOM 600 C8 G B 16 17.907 47.642 25.294 1.00 67.63 C ATOM 601 N7 G B 16 17.611 47.711 24.025 1.00 67.21 N ATOM 602 C5 G B 16 16.234 47.817 23.997 1.00 66.71 C ATOM 603 C6 G B 16 15.351 47.958 22.901 1.00 68.16 C ATOM 604 O6 G B 16 15.617 48.029 21.696 1.00 66.96 O ATOM 605 N1 G B 16 14.035 48.024 23.317 1.00 67.89 N ATOM 606 C2 G B 16 13.622 47.969 24.619 1.00 68.48 C ATOM 607 N2 G B 16 12.309 48.019 24.809 1.00 67.72 N ATOM 608 N3 G B 16 14.436 47.865 25.654 1.00 67.15 N ATOM 609 C4 G B 16 15.718 47.791 25.271 1.00 66.73 C ATOM 610 P C B 17 18.085 43.153 28.381 1.00 64.27 P ATOM 611 OP1 C B 17 18.280 42.170 29.466 1.00 67.95 O ATOM 612 OP2 C B 17 19.008 43.166 27.213 1.00 64.05 O ATOM 613 O5' C B 17 16.598 42.954 27.863 1.00 62.34 O ATOM 614 C5' C B 17 15.573 42.677 28.799 1.00 65.44 C ATOM 615 C4' C B 17 14.235 42.718 28.140 1.00 63.24 C ATOM 616 O4' C B 17 14.109 43.980 27.446 1.00 70.12 O ATOM 617 C3' C B 17 14.062 41.719 27.028 1.00 66.20 C ATOM 618 O3' C B 17 13.712 40.453 27.509 1.00 68.04 O ATOM 619 C2' C B 17 12.949 42.342 26.214 1.00 63.42 C ATOM 620 O2' C B 17 11.714 42.199 26.881 1.00 66.87 O ATOM 621 C1' C B 17 13.360 43.802 26.255 1.00 65.40 C ATOM 622 N1 C B 17 14.204 44.150 25.098 1.00 66.34 N ATOM 623 C2 C B 17 13.577 44.382 23.875 1.00 66.75 C ATOM 624 O2 C B 17 12.345 44.286 23.812 1.00 68.28 O ATOM 625 N3 C B 17 14.322 44.688 22.793 1.00 66.22 N ATOM 626 C4 C B 17 15.652 44.746 22.895 1.00 66.26 C ATOM 627 N4 C B 17 16.349 45.011 21.790 1.00 61.40 N ATOM 628 C5 C B 17 16.323 44.521 24.134 1.00 64.68 C ATOM 629 C6 C B 17 15.564 44.228 25.202 1.00 66.43 C ATOM 630 P A B 18 14.187 39.166 26.698 1.00 73.68 P ATOM 631 OP1 A B 18 13.771 37.995 27.519 1.00 75.84 O ATOM 632 OP2 A B 18 15.621 39.356 26.331 1.00 66.93 O ATOM 633 O5' A B 18 13.283 39.194 25.386 1.00 71.96 O ATOM 634 C5' A B 18 11.879 39.022 25.505 1.00 73.13 C ATOM 635 C4' A B 18 11.199 39.172 24.168 1.00 74.43 C ATOM 636 O4' A B 18 11.344 40.538 23.694 1.00 72.35 O ATOM 637 C3' A B 18 11.790 38.342 23.050 1.00 75.11 C ATOM 638 O3' A B 18 11.330 37.008 23.052 1.00 77.90 O ATOM 639 C2' A B 18 11.324 39.090 21.821 1.00 75.43 C ATOM 640 O2' A B 18 9.964 38.816 21.563 1.00 76.93 O ATOM 641 C1' A B 18 11.481 40.532 22.287 1.00 71.66 C ATOM 642 N9 A B 18 12.815 40.998 21.951 1.00 69.25 N ATOM 643 C8 A B 18 13.919 41.126 22.744 1.00 68.88 C ATOM 644 N7 A B 18 14.977 41.559 22.105 1.00 67.46 N ATOM 645 C5 A B 18 14.535 41.728 20.807 1.00 66.07 C ATOM 646 C6 A B 18 15.173 42.160 19.646 1.00 64.95 C ATOM 647 N6 A B 18 16.442 42.529 19.592 1.00 62.46 N ATOM 648 N1 A B 18 14.451 42.209 18.518 1.00 67.49 N ATOM 649 C2 A B 18 13.162 41.850 18.566 1.00 69.21 C ATOM 650 N3 A B 18 12.446 41.425 19.600 1.00 68.24 N ATOM 651 C4 A B 18 13.204 41.389 20.701 1.00 68.63 C ATOM 652 P G B 19 12.319 35.853 22.544 1.00 79.78 P ATOM 653 OP1 G B 19 11.734 34.553 22.949 1.00 76.89 O ATOM 654 OP2 G B 19 13.673 36.237 23.018 1.00 80.55 O ATOM 655 O5' G B 19 12.311 36.020 20.953 1.00 75.72 O ATOM 656 C5' G B 19 11.084 35.995 20.246 1.00 74.86 C ATOM 657 C4' G B 19 11.269 36.332 18.778 1.00 73.27 C ATOM 658 O4' G B 19 11.652 37.726 18.624 1.00 72.48 O ATOM 659 C3' G B 19 12.376 35.587 18.063 1.00 76.51 C ATOM 660 O3' G B 19 11.972 34.281 17.676 1.00 80.09 O ATOM 661 C2' G B 19 12.650 36.493 16.868 1.00 75.65 C ATOM 662 O2' G B 19 11.678 36.387 15.849 1.00 78.58 O ATOM 663 C1' G B 19 12.491 37.871 17.490 1.00 71.68 C ATOM 664 N9 G B 19 13.781 38.415 17.884 1.00 69.26 N ATOM 665 C8 G B 19 14.335 38.447 19.140 1.00 68.01 C ATOM 666 N7 G B 19 15.537 38.959 19.154 1.00 67.97 N ATOM 667 C5 G B 19 15.788 39.288 17.829 1.00 68.30 C ATOM 668 C6 G B 19 16.932 39.861 17.226 1.00 67.73 C ATOM 669 O6 G B 19 17.991 40.182 17.747 1.00 67.79 O ATOM 670 N1 G B 19 16.760 40.040 15.861 1.00 69.43 N ATOM 671 C2 G B 19 15.640 39.690 15.157 1.00 68.80 C ATOM 672 N2 G B 19 15.691 39.930 13.836 1.00 69.15 N ATOM 673 N3 G B 19 14.562 39.143 15.704 1.00 67.10 N ATOM 674 C4 G B 19 14.706 38.973 17.034 1.00 68.30 C ATOM 675 P A B 20 13.075 33.120 17.531 1.00 82.24 P ATOM 676 OP1 A B 20 12.376 31.889 17.053 1.00 81.75 O ATOM 677 OP2 A B 20 13.855 33.084 18.799 1.00 79.17 O ATOM 678 O5' A B 20 14.038 33.636 16.366 1.00 79.83 O ATOM 679 C5' A B 20 13.604 33.596 15.016 1.00 76.01 C ATOM 680 C4' A B 20 14.554 34.344 14.100 1.00 72.11 C ATOM 681 O4' A B 20 14.797 35.667 14.644 1.00 73.20 O ATOM 682 C3' A B 20 15.949 33.766 13.975 1.00 72.70 C ATOM 683 O3' A B 20 16.020 32.695 13.052 1.00 73.55 O ATOM 684 C2' A B 20 16.765 34.965 13.521 1.00 71.97 C ATOM 685 O2' A B 20 16.621 35.260 12.156 1.00 73.39 O ATOM 686 C1' A B 20 16.119 36.082 14.324 1.00 70.90 C ATOM 687 N9 A B 20 16.867 36.331 15.552 1.00 66.57 N ATOM 688 C8 A B 20 16.581 35.998 16.850 1.00 65.95 C ATOM 689 N7 A B 20 17.511 36.360 17.702 1.00 65.88 N ATOM 690 C5 A B 20 18.461 36.984 16.908 1.00 63.86 C ATOM 691 C6 A B 20 19.675 37.620 17.200 1.00 62.35 C ATOM 692 N6 A B 20 20.182 37.739 18.423 1.00 57.73 N ATOM 693 N1 A B 20 20.364 38.152 16.171 1.00 65.02 N ATOM 694 C2 A B 20 19.859 38.053 14.941 1.00 65.03 C ATOM 695 N3 A B 20 18.735 37.488 14.544 1.00 65.04 N ATOM 696 C4 A B 20 18.075 36.971 15.585 1.00 64.24 C ATOM 697 P G B 21 16.973 31.458 13.380 1.00 73.07 P ATOM 698 OP1 G B 21 16.850 30.410 12.339 1.00 78.35 O ATOM 699 OP2 G B 21 16.689 31.122 14.794 1.00 73.56 O ATOM 700 O5' G B 21 18.430 32.078 13.263 1.00 73.42 O ATOM 701 C5' G B 21 18.792 32.803 12.100 1.00 71.93 C ATOM 702 C4' G B 21 20.126 33.487 12.283 1.00 72.42 C ATOM 703 O4' G B 21 19.997 34.602 13.213 1.00 72.72 O ATOM 704 C3' G B 21 21.229 32.632 12.880 1.00 72.34 C ATOM 705 O3' G B 21 21.895 31.894 11.875 1.00 73.78 O ATOM 706 C2' G B 21 22.168 33.690 13.430 1.00 69.23 C ATOM 707 O2' G B 21 22.873 34.291 12.364 1.00 71.22 O ATOM 708 C1' G B 21 21.184 34.719 13.973 1.00 67.35 C ATOM 709 N9 G B 21 20.879 34.492 15.381 1.00 64.39 N ATOM 710 C8 G B 21 19.851 33.755 15.925 1.00 61.52 C ATOM 711 N7 G B 21 19.843 33.777 17.234 1.00 59.08 N ATOM 712 C5 G B 21 20.933 34.570 17.568 1.00 59.54 C ATOM 713 C6 G B 21 21.424 34.971 18.835 1.00 57.88 C ATOM 714 O6 G B 21 20.963 34.714 19.951 1.00 58.20 O ATOM 715 N1 G B 21 22.568 35.759 18.718 1.00 58.26 N ATOM 716 C2 G B 21 23.153 36.126 17.531 1.00 59.92 C ATOM 717 N2 G B 21 24.246 36.888 17.616 1.00 59.04 N ATOM 718 N3 G B 21 22.693 35.770 16.343 1.00 59.79 N ATOM 719 C4 G B 21 21.591 35.001 16.438 1.00 60.40 C ATOM 720 P A B 22 22.044 30.306 12.020 1.00 74.80 P ATOM 721 OP1 A B 22 20.891 29.738 11.287 1.00 73.81 O ATOM 722 OP2 A B 22 22.266 29.924 13.437 1.00 74.84 O ATOM 723 O5' A B 22 23.381 30.004 11.218 1.00 71.23 O ATOM 724 C5' A B 22 24.655 30.172 11.821 1.00 69.82 C ATOM 725 C4' A B 22 25.431 31.245 11.092 1.00 73.13 C ATOM 726 O4' A B 22 25.053 32.556 11.611 1.00 70.45 O ATOM 727 C3' A B 22 26.940 31.192 11.275 1.00 71.20 C ATOM 728 O3' A B 22 27.521 30.265 10.361 1.00 70.70 O ATOM 729 C2' A B 22 27.342 32.637 10.998 1.00 69.13 C ATOM 730 O2' A B 22 27.380 32.972 9.633 1.00 71.43 O ATOM 731 C1' A B 22 26.189 33.409 11.637 1.00 66.22 C ATOM 732 N9 A B 22 26.489 33.750 13.029 1.00 63.81 N ATOM 733 C8 A B 22 25.911 33.237 14.159 1.00 61.26 C ATOM 734 N7 A B 22 26.425 33.695 15.271 1.00 61.16 N ATOM 735 C5 A B 22 27.402 34.581 14.844 1.00 61.59 C ATOM 736 C6 A B 22 28.312 35.390 15.545 1.00 61.36 C ATOM 737 N6 A B 22 28.396 35.410 16.875 1.00 63.29 N ATOM 738 N1 A B 22 29.145 36.177 14.830 1.00 60.36 N ATOM 739 C2 A B 22 29.060 36.137 13.504 1.00 61.12 C ATOM 740 N3 A B 22 28.254 35.402 12.729 1.00 62.51 N ATOM 741 C4 A B 22 27.443 34.638 13.471 1.00 61.70 C ATOM 742 P A B 23 28.656 29.243 10.869 1.00 75.13 P ATOM 743 OP1 A B 23 29.050 28.355 9.751 1.00 79.39 O ATOM 744 OP2 A B 23 28.228 28.638 12.154 1.00 71.74 O ATOM 745 O5' A B 23 29.902 30.199 11.097 1.00 73.14 O ATOM 746 C5' A B 23 30.339 31.033 10.050 1.00 67.03 C ATOM 747 C4' A B 23 31.299 32.050 10.579 1.00 69.10 C ATOM 748 O4' A B 23 30.578 33.009 11.405 1.00 72.14 O ATOM 749 C3' A B 23 32.380 31.499 11.492 1.00 69.43 C ATOM 750 O3' A B 23 33.464 30.962 10.747 1.00 68.62 O ATOM 751 C2' A B 23 32.765 32.743 12.285 1.00 69.06 C ATOM 752 O2' A B 23 33.549 33.621 11.508 1.00 68.98 O ATOM 753 C1' A B 23 31.397 33.407 12.498 1.00 68.16 C ATOM 754 N9 A B 23 30.769 32.971 13.756 1.00 64.12 N ATOM 755 C8 A B 23 29.736 32.089 13.927 1.00 62.06 C ATOM 756 N7 A B 23 29.481 31.821 15.184 1.00 60.61 N ATOM 757 C5 A B 23 30.389 32.598 15.881 1.00 57.65 C ATOM 758 C6 A B 23 30.637 32.743 17.239 1.00 57.35 C ATOM 759 N6 A B 23 29.997 32.057 18.176 1.00 56.08 N ATOM 760 N1 A B 23 31.588 33.614 17.618 1.00 57.33 N ATOM 761 C2 A B 23 32.251 34.276 16.680 1.00 58.55 C ATOM 762 N3 A B 23 32.122 34.207 15.363 1.00 60.66 N ATOM 763 C4 A B 23 31.162 33.336 15.026 1.00 58.56 C ATOM 764 P A B 24 34.347 29.765 11.362 1.00 71.67 P ATOM 765 OP1 A B 24 35.377 29.468 10.340 1.00 80.22 O ATOM 766 OP2 A B 24 33.491 28.658 11.881 1.00 69.61 O ATOM 767 O5' A B 24 35.131 30.456 12.557 1.00 66.48 O ATOM 768 C5' A B 24 36.078 31.474 12.280 1.00 63.58 C ATOM 769 C4' A B 24 36.575 32.078 13.561 1.00 62.51 C ATOM 770 O4' A B 24 35.451 32.662 14.270 1.00 63.83 O ATOM 771 C3' A B 24 37.173 31.083 14.530 1.00 63.39 C ATOM 772 O3' A B 24 38.560 30.887 14.236 1.00 63.05 O ATOM 773 C2' A B 24 36.979 31.799 15.849 1.00 62.44 C ATOM 774 O2' A B 24 37.917 32.834 15.941 1.00 69.03 O ATOM 775 C1' A B 24 35.609 32.451 15.659 1.00 60.21 C ATOM 776 N9 A B 24 34.505 31.603 16.117 1.00 57.08 N ATOM 777 C8 A B 24 33.633 30.874 15.351 1.00 55.50 C ATOM 778 N7 A B 24 32.765 30.186 16.049 1.00 53.07 N ATOM 779 C5 A B 24 33.088 30.473 17.362 1.00 52.07 C ATOM 780 C6 A B 24 32.558 30.021 18.593 1.00 52.43 C ATOM 781 N6 A B 24 31.609 29.073 18.709 1.00 48.96 N ATOM 782 N1 A B 24 33.071 30.557 19.725 1.00 53.16 N ATOM 783 C2 A B 24 34.089 31.437 19.620 1.00 50.66 C ATOM 784 N3 A B 24 34.703 31.888 18.524 1.00 53.29 N ATOM 785 C4 A B 24 34.142 31.366 17.418 1.00 53.10 C ATOM 786 P C B 25 39.222 29.437 14.456 1.00 64.39 P ATOM 787 OP1 C B 25 40.662 29.467 14.137 1.00 67.18 O ATOM 788 OP2 C B 25 38.337 28.422 13.821 1.00 60.07 O ATOM 789 O5' C B 25 39.157 29.230 16.027 1.00 63.86 O ATOM 790 C5' C B 25 39.902 30.063 16.900 1.00 56.77 C ATOM 791 C4' C B 25 39.484 29.794 18.326 1.00 56.20 C ATOM 792 O4' C B 25 38.068 30.058 18.436 1.00 57.22 O ATOM 793 C3' C B 25 39.587 28.343 18.733 1.00 55.69 C ATOM 794 O3' C B 25 40.880 28.067 19.219 1.00 57.37 O ATOM 795 C2' C B 25 38.582 28.249 19.855 1.00 54.07 C ATOM 796 O2' C B 25 39.121 28.884 20.975 1.00 58.23 O ATOM 797 C1' C B 25 37.481 29.153 19.338 1.00 52.69 C ATOM 798 N1 C B 25 36.393 28.458 18.653 1.00 51.87 N ATOM 799 C2 C B 25 35.367 27.924 19.412 1.00 50.28 C ATOM 800 O2 C B 25 35.425 28.028 20.642 1.00 54.01 O ATOM 801 N3 C B 25 34.343 27.305 18.816 1.00 51.33 N ATOM 802 C4 C B 25 34.316 27.198 17.491 1.00 53.91 C ATOM 803 N4 C B 25 33.267 26.573 16.928 1.00 48.75 N ATOM 804 C5 C B 25 35.358 27.724 16.681 1.00 54.57 C ATOM 805 C6 C B 25 36.377 28.343 17.302 1.00 54.69 C ATOM 806 P A B 26 41.407 26.553 19.226 1.00 56.78 P ATOM 807 OP1 A B 26 42.823 26.533 19.643 1.00 59.26 O ATOM 808 OP2 A B 26 41.006 26.004 17.908 1.00 57.60 O ATOM 809 O5' A B 26 40.573 25.807 20.363 1.00 55.58 O ATOM 810 C5' A B 26 40.886 26.026 21.727 1.00 56.68 C ATOM 811 C4' A B 26 39.826 25.441 22.621 1.00 52.55 C ATOM 812 O4' A B 26 38.537 25.937 22.212 1.00 54.76 O ATOM 813 C3' A B 26 39.670 23.949 22.511 1.00 55.32 C ATOM 814 O3' A B 26 40.612 23.276 23.315 1.00 61.63 O ATOM 815 C2' A B 26 38.260 23.734 23.007 1.00 53.00 C ATOM 816 O2' A B 26 38.235 23.851 24.405 1.00 55.34 O ATOM 817 C1' A B 26 37.560 24.925 22.385 1.00 52.51 C ATOM 818 N9 A B 26 37.025 24.602 21.069 1.00 51.77 N ATOM 819 C8 A B 26 37.553 24.987 19.858 1.00 49.71 C ATOM 820 N7 A B 26 36.826 24.614 18.829 1.00 49.70 N ATOM 821 C5 A B 26 35.765 23.912 19.405 1.00 47.43 C ATOM 822 C6 A B 26 34.653 23.271 18.847 1.00 49.02 C ATOM 823 N6 A B 26 34.406 23.235 17.533 1.00 49.92 N ATOM 824 N1 A B 26 33.784 22.676 19.681 1.00 48.65 N ATOM 825 C2 A B 26 34.029 22.738 20.993 1.00 51.39 C ATOM 826 N3 A B 26 35.038 23.314 21.638 1.00 49.19 N ATOM 827 C4 A B 26 35.882 23.889 20.775 1.00 48.12 C ATOM 828 P C B 27 41.239 21.903 22.791 1.00 62.83 P ATOM 829 OP1 C B 27 42.256 21.528 23.785 1.00 63.96 O ATOM 830 OP2 C B 27 41.629 22.106 21.370 1.00 61.19 O ATOM 831 O5' C B 27 40.015 20.880 22.852 1.00 60.03 O ATOM 832 C5' C B 27 39.427 20.542 24.104 1.00 57.70 C ATOM 833 C4' C B 27 38.106 19.824 23.915 1.00 56.08 C ATOM 834 O4' C B 27 37.192 20.662 23.159 1.00 56.53 O ATOM 835 C3' C B 27 38.168 18.573 23.072 1.00 55.52 C ATOM 836 O3' C B 27 38.585 17.467 23.832 1.00 64.26 O ATOM 837 C2' C B 27 36.730 18.415 22.622 1.00 56.29 C ATOM 838 O2' C B 27 35.913 17.948 23.662 1.00 58.36 O ATOM 839 C1' C B 27 36.342 19.854 22.350 1.00 53.80 C ATOM 840 N1 C B 27 36.562 20.187 20.938 1.00 51.31 N ATOM 841 C2 C B 27 35.560 19.899 20.014 1.00 51.01 C ATOM 842 O2 C B 27 34.526 19.351 20.407 1.00 49.85 O ATOM 843 N3 C B 27 35.743 20.219 18.705 1.00 49.64 N ATOM 844 C4 C B 27 36.879 20.799 18.319 1.00 50.84 C ATOM 845 N4 C B 27 37.016 21.117 17.021 1.00 52.80 N ATOM 846 C5 C B 27 37.929 21.092 19.242 1.00 49.25 C ATOM 847 C6 C B 27 37.730 20.772 20.531 1.00 51.40 C ATOM 848 P A B 28 39.469 16.315 23.141 1.00 59.94 P ATOM 849 OP1 A B 28 39.942 15.453 24.240 1.00 61.93 O ATOM 850 OP2 A B 28 40.448 16.948 22.231 1.00 59.21 O ATOM 851 O5' A B 28 38.396 15.509 22.299 1.00 58.26 O ATOM 852 C5' A B 28 37.353 14.853 22.973 1.00 55.84 C ATOM 853 C4' A B 28 36.362 14.314 21.994 1.00 60.16 C ATOM 854 O4' A B 28 35.716 15.426 21.311 1.00 60.21 O ATOM 855 C3' A B 28 36.947 13.483 20.866 1.00 57.89 C ATOM 856 O3' A B 28 37.149 12.144 21.276 1.00 61.41 O ATOM 857 C2' A B 28 35.840 13.588 19.829 1.00 60.07 C ATOM 858 O2' A B 28 34.746 12.798 20.237 1.00 57.06 O ATOM 859 C1' A B 28 35.429 15.058 19.971 1.00 58.41 C ATOM 860 N9 A B 28 36.197 15.931 19.079 1.00 54.60 N ATOM 861 C8 A B 28 37.333 16.633 19.365 1.00 52.35 C ATOM 862 N7 A B 28 37.782 17.343 18.350 1.00 53.30 N ATOM 863 C5 A B 28 36.878 17.080 17.334 1.00 51.00 C ATOM 864 C6 A B 28 36.779 17.554 16.015 1.00 52.82 C ATOM 865 N6 A B 28 37.642 18.421 15.469 1.00 52.11 N ATOM 866 N1 A B 28 35.747 17.118 15.269 1.00 53.29 N ATOM 867 C2 A B 28 34.877 16.256 15.820 1.00 52.82 C ATOM 868 N3 A B 28 34.866 15.745 17.046 1.00 52.26 N ATOM 869 C4 A B 28 35.904 16.208 17.761 1.00 50.80 C ATOM 870 P C B 29 38.363 11.283 20.654 1.00 61.10 P ATOM 871 OP1 C B 29 38.362 10.040 21.448 1.00 69.07 O ATOM 872 OP2 C B 29 39.609 12.058 20.530 1.00 64.84 O ATOM 873 O5' C B 29 37.868 10.945 19.180 1.00 59.23 O ATOM 874 C5' C B 29 36.738 10.110 18.999 1.00 57.20 C ATOM 875 C4' C B 29 36.199 10.228 17.595 1.00 57.71 C ATOM 876 O4' C B 29 35.802 11.605 17.368 1.00 59.83 O ATOM 877 C3' C B 29 37.176 9.926 16.463 1.00 55.20 C ATOM 878 O3' C B 29 37.258 8.524 16.216 1.00 55.93 O ATOM 879 C2' C B 29 36.530 10.684 15.306 1.00 55.47 C ATOM 880 O2' C B 29 35.379 10.057 14.792 1.00 53.39 O ATOM 881 C1' C B 29 36.046 11.946 16.013 1.00 57.14 C ATOM 882 N1 C B 29 37.080 12.991 15.933 1.00 51.10 N ATOM 883 C2 C B 29 37.082 13.785 14.804 1.00 49.64 C ATOM 884 O2 C B 29 36.197 13.579 13.955 1.00 48.64 O ATOM 885 N3 C B 29 38.033 14.748 14.655 1.00 49.25 N ATOM 886 C4 C B 29 38.951 14.924 15.611 1.00 51.02 C ATOM 887 N4 C B 29 39.861 15.888 15.441 1.00 51.30 N ATOM 888 C5 C B 29 38.973 14.116 16.790 1.00 50.06 C ATOM 889 C6 C B 29 38.022 13.166 16.907 1.00 50.83 C ATOM 890 P G B 30 38.555 7.893 15.491 1.00 57.84 P ATOM 891 OP1 G B 30 38.279 6.438 15.498 1.00 66.22 O ATOM 892 OP2 G B 30 39.846 8.397 16.041 1.00 56.10 O ATOM 893 O5' G B 30 38.466 8.422 13.991 1.00 51.98 O ATOM 894 C5' G B 30 37.374 8.064 13.168 1.00 52.48 C ATOM 895 C4' G B 30 37.519 8.678 11.783 1.00 57.66 C ATOM 896 O4' G B 30 37.209 10.099 11.859 1.00 59.19 O ATOM 897 C3' G B 30 38.890 8.633 11.099 1.00 60.42 C ATOM 898 O3' G B 30 39.195 7.411 10.431 1.00 55.09 O ATOM 899 C2' G B 30 38.757 9.771 10.106 1.00 56.30 C ATOM 900 O2' G B 30 37.858 9.369 9.086 1.00 59.66 O ATOM 901 C1' G B 30 38.036 10.817 10.957 1.00 58.74 C ATOM 902 N9 G B 30 38.979 11.642 11.720 1.00 56.23 N ATOM 903 C8 G B 30 39.363 11.486 13.030 1.00 57.46 C ATOM 904 N7 G B 30 40.261 12.360 13.413 1.00 55.59 N ATOM 905 C5 G B 30 40.460 13.154 12.291 1.00 56.31 C ATOM 906 C6 G B 30 41.312 14.268 12.093 1.00 55.56 C ATOM 907 O6 G B 30 42.053 14.820 12.908 1.00 53.00 O ATOM 908 N1 G B 30 41.248 14.739 10.787 1.00 55.06 N ATOM 909 C2 G B 30 40.451 14.216 9.805 1.00 59.05 C ATOM 910 N2 G B 30 40.556 14.761 8.573 1.00 61.11 N ATOM 911 N3 G B 30 39.617 13.211 9.996 1.00 59.40 N ATOM 912 C4 G B 30 39.681 12.724 11.243 1.00 56.74 C ATOM 913 P A B 31 40.712 6.860 10.419 1.00 58.54 P ATOM 914 OP1 A B 31 40.545 5.528 9.758 1.00 62.72 O ATOM 915 OP2 A B 31 41.332 6.928 11.767 1.00 56.87 O ATOM 916 O5' A B 31 41.522 7.880 9.490 1.00 52.09 O ATOM 917 C5' A B 31 41.048 8.190 8.193 1.00 57.06 C ATOM 918 C4' A B 31 41.873 9.278 7.549 1.00 64.03 C ATOM 919 O4' A B 31 41.530 10.577 8.115 1.00 67.50 O ATOM 920 C3' A B 31 43.376 9.209 7.771 1.00 66.91 C ATOM 921 O3' A B 31 44.135 8.241 7.063 1.00 72.10 O ATOM 922 C2' A B 31 43.800 10.625 7.456 1.00 65.31 C ATOM 923 O2' A B 31 43.685 10.841 6.069 1.00 75.27 O ATOM 924 C1' A B 31 42.673 11.426 8.090 1.00 65.32 C ATOM 925 N9 A B 31 43.063 11.799 9.444 1.00 64.81 N ATOM 926 C8 A B 31 42.918 11.079 10.594 1.00 64.21 C ATOM 927 N7 A B 31 43.479 11.633 11.638 1.00 61.57 N ATOM 928 C5 A B 31 44.000 12.814 11.148 1.00 60.50 C ATOM 929 C6 A B 31 44.730 13.839 11.751 1.00 58.90 C ATOM 930 N6 A B 31 45.087 13.841 13.035 1.00 53.05 N ATOM 931 N1 A B 31 45.107 14.870 10.979 1.00 57.95 N ATOM 932 C2 A B 31 44.771 14.857 9.698 1.00 57.76 C ATOM 933 N3 A B 31 44.091 13.952 9.014 1.00 60.27 N ATOM 934 C4 A B 31 43.732 12.941 9.804 1.00 61.70 C TER ATOM 936 O5' U C 31 47.806 22.684 13.225 1.00 63.78 O ATOM 937 C5' U C 31 48.564 23.219 12.144 1.00 61.50 C ATOM 938 C4' U C 31 48.304 22.511 10.836 1.00 62.05 C ATOM 939 O4' U C 31 48.915 21.193 10.877 1.00 62.32 O ATOM 940 C3' U C 31 46.846 22.252 10.486 1.00 61.42 C ATOM 941 O3' U C 31 46.291 23.366 9.808 1.00 55.75 O ATOM 942 C2' U C 31 46.966 21.074 9.532 1.00 60.66 C ATOM 943 O2' U C 31 47.379 21.491 8.246 1.00 60.99 O ATOM 944 C1' U C 31 48.101 20.275 10.177 1.00 61.90 C ATOM 945 N1 U C 31 47.607 19.281 11.141 1.00 63.87 N ATOM 946 C2 U C 31 47.002 18.129 10.643 1.00 61.48 C ATOM 947 O2 U C 31 46.897 17.892 9.449 1.00 61.68 O ATOM 948 N3 U C 31 46.532 17.268 11.596 1.00 61.38 N ATOM 949 C4 U C 31 46.612 17.428 12.965 1.00 63.05 C ATOM 950 O4 U C 31 46.197 16.539 13.699 1.00 55.60 O ATOM 951 C5 U C 31 47.261 18.637 13.394 1.00 61.71 C ATOM 952 C6 U C 31 47.727 19.493 12.492 1.00 61.42 C ATOM 953 P C C 32 44.727 23.707 9.954 1.00 59.66 P ATOM 954 OP1 C C 32 44.629 25.078 9.388 1.00 67.44 O ATOM 955 OP2 C C 32 44.223 23.409 11.338 1.00 59.91 O ATOM 956 O5' C C 32 43.960 22.768 8.925 1.00 59.20 O ATOM 957 C5' C C 32 44.246 22.831 7.541 1.00 54.49 C ATOM 958 C4' C C 32 43.752 21.583 6.861 1.00 58.84 C ATOM 959 O4' C C 32 44.463 20.408 7.377 1.00 57.84 O ATOM 960 C3' C C 32 42.297 21.269 7.137 1.00 55.49 C ATOM 961 O3' C C 32 41.453 21.992 6.285 1.00 51.84 O ATOM 962 C2' C C 32 42.239 19.777 6.856 1.00 53.92 C ATOM 963 O2' C C 32 42.314 19.499 5.484 1.00 54.40 O ATOM 964 C1' C C 32 43.563 19.314 7.441 1.00 54.49 C ATOM 965 N1 C C 32 43.388 18.922 8.840 1.00 57.29 N ATOM 966 C2 C C 32 42.820 17.673 9.124 1.00 55.54 C ATOM 967 O2 C C 32 42.392 17.001 8.200 1.00 49.29 O ATOM 968 N3 C C 32 42.748 17.246 10.403 1.00 55.09 N ATOM 969 C4 C C 32 43.215 18.016 11.382 1.00 56.51 C ATOM 970 N4 C C 32 43.224 17.521 12.620 1.00 54.96 N ATOM 971 C5 C C 32 43.727 19.328 11.130 1.00 58.42 C ATOM 972 C6 C C 32 43.792 19.737 9.854 1.00 56.98 C ATOM 973 P G C 33 39.986 22.367 6.769 1.00 58.33 P ATOM 974 OP1 G C 33 39.487 23.341 5.778 1.00 60.13 O ATOM 975 OP2 G C 33 40.007 22.696 8.229 1.00 55.64 O ATOM 976 O5' G C 33 39.106 21.053 6.639 1.00 58.22 O ATOM 977 C5' G C 33 38.858 20.436 5.384 1.00 57.02 C ATOM 978 C4' G C 33 38.100 19.154 5.609 1.00 57.76 C ATOM 979 O4' G C 33 38.921 18.226 6.364 1.00 59.83 O ATOM 980 C3' G C 33 36.847 19.316 6.441 1.00 59.40 C ATOM 981 O3' G C 33 35.786 19.622 5.562 1.00 58.18 O ATOM 982 C2' G C 33 36.670 17.925 7.047 1.00 57.60 C ATOM 983 O2' G C 33 36.147 17.036 6.112 1.00 52.42 O ATOM 984 C1' G C 33 38.117 17.520 7.300 1.00 55.24 C ATOM 985 N9 G C 33 38.611 17.859 8.632 1.00 56.37 N ATOM 986 C8 G C 33 39.481 18.873 8.957 1.00 56.54 C ATOM 987 N7 G C 33 39.832 18.866 10.220 1.00 55.93 N ATOM 988 C5 G C 33 39.129 17.806 10.765 1.00 53.58 C ATOM 989 C6 G C 33 39.136 17.290 12.074 1.00 53.97 C ATOM 990 O6 G C 33 39.800 17.673 13.053 1.00 56.15 O ATOM 991 N1 G C 33 38.289 16.191 12.192 1.00 54.46 N ATOM 992 C2 G C 33 37.547 15.654 11.166 1.00 54.20 C ATOM 993 N2 G C 33 36.815 14.590 11.461 1.00 56.85 N ATOM 994 N3 G C 33 37.533 16.126 9.939 1.00 52.79 N ATOM 995 C4 G C 33 38.346 17.190 9.805 1.00 55.20 C ATOM 996 P U C 34 34.448 20.270 6.140 1.00 61.76 P ATOM 997 OP1 U C 34 33.510 20.436 5.000 1.00 62.97 O ATOM 998 OP2 U C 34 34.869 21.439 6.934 1.00 64.46 O ATOM 999 O5' U C 34 33.856 19.175 7.135 1.00 62.43 O ATOM 1000 C5' U C 34 33.112 18.099 6.612 1.00 59.64 C ATOM 1001 C4' U C 34 32.776 17.093 7.675 1.00 59.02 C ATOM 1002 O4' U C 34 33.985 16.686 8.373 1.00 60.00 O ATOM 1003 C3' U C 34 31.898 17.602 8.790 1.00 60.08 C ATOM 1004 O3' U C 34 30.549 17.572 8.417 1.00 63.51 O ATOM 1005 C2' U C 34 32.182 16.595 9.883 1.00 61.80 C ATOM 1006 O2' U C 34 31.588 15.364 9.543 1.00 66.21 O ATOM 1007 C1' U C 34 33.680 16.412 9.726 1.00 58.05 C ATOM 1008 N1 U C 34 34.411 17.345 10.589 1.00 59.64 N ATOM 1009 C2 U C 34 34.578 16.969 11.895 1.00 59.84 C ATOM 1010 O2 U C 34 34.068 15.969 12.342 1.00 63.95 O ATOM 1011 N3 U C 34 35.348 17.812 12.663 1.00 55.48 N ATOM 1012 C4 U C 34 35.937 18.979 12.267 1.00 53.99 C ATOM 1013 O4 U C 34 36.613 19.606 13.070 1.00 55.17 O ATOM 1014 C5 U C 34 35.668 19.343 10.913 1.00 53.78 C ATOM 1015 C6 U C 34 34.926 18.532 10.134 1.00 58.72 C ATOM 1016 P G C 35 29.539 18.618 9.072 1.00 64.08 P ATOM 1017 OP1 G C 35 28.273 18.505 8.310 1.00 62.25 O ATOM 1018 OP2 G C 35 30.211 19.929 9.175 1.00 58.14 O ATOM 1019 O5' G C 35 29.368 18.073 10.564 1.00 64.94 O ATOM 1020 C5' G C 35 28.908 16.748 10.798 1.00 63.69 C ATOM 1021 C4' G C 35 28.952 16.394 12.280 1.00 62.84 C ATOM 1022 O4' G C 35 30.327 16.307 12.751 1.00 62.38 O ATOM 1023 C3' G C 35 28.282 17.360 13.232 1.00 62.26 C ATOM 1024 O3' G C 35 26.898 17.034 13.313 1.00 66.79 O ATOM 1025 C2' G C 35 28.986 17.033 14.541 1.00 63.89 C ATOM 1026 O2' G C 35 28.537 15.809 15.058 1.00 59.17 O ATOM 1027 C1' G C 35 30.415 16.764 14.088 1.00 61.04 C ATOM 1028 N9 G C 35 31.331 17.904 14.134 1.00 62.30 N ATOM 1029 C8 G C 35 31.596 18.772 13.102 1.00 61.25 C ATOM 1030 N7 G C 35 32.534 19.636 13.387 1.00 60.70 N ATOM 1031 C5 G C 35 32.898 19.342 14.694 1.00 59.68 C ATOM 1032 C6 G C 35 33.870 19.942 15.523 1.00 58.90 C ATOM 1033 O6 G C 35 34.652 20.856 15.249 1.00 58.90 O ATOM 1034 N1 G C 35 33.890 19.370 16.786 1.00 58.33 N ATOM 1035 C2 G C 35 33.076 18.356 17.200 1.00 57.54 C ATOM 1036 N2 G C 35 33.214 17.989 18.472 1.00 56.47 N ATOM 1037 N3 G C 35 32.181 17.759 16.426 1.00 59.59 N ATOM 1038 C4 G C 35 32.146 18.300 15.190 1.00 60.51 C ATOM 1039 P G C 36 25.835 18.151 13.777 1.00 69.52 P ATOM 1040 OP1 G C 36 24.509 17.694 13.323 1.00 71.26 O ATOM 1041 OP2 G C 36 26.361 19.452 13.314 1.00 69.88 O ATOM 1042 O5' G C 36 25.858 18.095 15.370 1.00 63.22 O ATOM 1043 C5' G C 36 25.651 16.861 16.046 1.00 63.90 C ATOM 1044 C4' G C 36 25.986 17.002 17.514 1.00 64.44 C ATOM 1045 O4' G C 36 27.313 17.544 17.679 1.00 59.84 O ATOM 1046 C3' G C 36 25.039 17.958 18.228 1.00 62.76 C ATOM 1047 O3' G C 36 24.987 17.411 19.546 1.00 66.52 O ATOM 1048 C2' G C 36 25.762 19.304 18.188 1.00 62.11 C ATOM 1049 O2' G C 36 25.552 20.132 19.304 1.00 65.66 O ATOM 1050 C1' G C 36 27.224 18.840 18.204 1.00 63.27 C ATOM 1051 N9 G C 36 28.246 19.680 17.607 1.00 57.77 N ATOM 1052 C8 G C 36 28.212 20.325 16.394 1.00 58.54 C ATOM 1053 N7 G C 36 29.276 21.050 16.175 1.00 60.04 N ATOM 1054 C5 G C 36 30.053 20.861 17.311 1.00 57.15 C ATOM 1055 C6 G C 36 31.301 21.397 17.650 1.00 55.82 C ATOM 1056 O6 G C 36 31.992 22.174 16.999 1.00 60.08 O ATOM 1057 N1 G C 36 31.739 20.944 18.890 1.00 54.41 N ATOM 1058 C2 G C 36 31.045 20.070 19.695 1.00 54.79 C ATOM 1059 N2 G C 36 31.621 19.751 20.869 1.00 53.29 N ATOM 1060 N3 G C 36 29.868 19.552 19.378 1.00 53.27 N ATOM 1061 C4 G C 36 29.434 19.997 18.189 1.00 56.26 C ATOM 1062 P U C 37 23.633 17.357 20.374 1.00 65.66 P ATOM 1063 OP1 U C 37 23.783 16.225 21.316 1.00 63.06 O ATOM 1064 OP2 U C 37 22.510 17.399 19.415 1.00 64.38 O ATOM 1065 O5' U C 37 23.663 18.692 21.241 1.00 68.57 O ATOM 1066 C5' U C 37 22.862 18.818 22.402 1.00 59.95 C ATOM 1067 C4' U C 37 23.548 19.692 23.415 1.00 59.04 C ATOM 1068 O4' U C 37 24.772 19.041 23.829 1.00 61.12 O ATOM 1069 C3' U C 37 23.970 21.017 22.762 1.00 59.21 C ATOM 1070 O3' U C 37 23.770 22.118 23.640 1.00 55.19 O ATOM 1071 C2' U C 37 25.439 20.835 22.397 1.00 59.71 C ATOM 1072 O2' U C 37 26.250 21.970 22.588 1.00 65.13 O ATOM 1073 C1' U C 37 25.868 19.822 23.447 1.00 61.32 C ATOM 1074 N1 U C 37 27.015 18.995 23.113 1.00 62.13 N ATOM 1075 C2 U C 37 28.168 19.314 23.756 1.00 64.37 C ATOM 1076 O2 U C 37 28.201 20.157 24.616 1.00 63.78 O ATOM 1077 N3 U C 37 29.279 18.618 23.353 1.00 67.94 N ATOM 1078 C4 U C 37 29.321 17.633 22.375 1.00 68.76 C ATOM 1079 O4 U C 37 30.381 17.111 22.075 1.00 71.41 O ATOM 1080 C5 U C 37 28.047 17.329 21.790 1.00 68.08 C ATOM 1081 C6 U C 37 26.960 18.005 22.181 1.00 65.50 C ATOM 1082 P C C 38 22.894 23.381 23.210 1.00 58.14 P ATOM 1083 OP1 C C 38 23.176 24.321 24.317 1.00 58.76 O ATOM 1084 OP2 C C 38 21.504 22.975 22.911 1.00 61.79 O ATOM 1085 O5' C C 38 23.525 23.945 21.856 1.00 60.78 O ATOM 1086 C5' C C 38 24.582 24.889 21.882 1.00 54.59 C ATOM 1087 C4' C C 38 24.952 25.302 20.481 1.00 57.76 C ATOM 1088 O4' C C 38 25.963 26.323 20.558 1.00 56.28 O ATOM 1089 C3' C C 38 25.560 24.147 19.706 1.00 56.64 C ATOM 1090 O3' C C 38 25.228 24.302 18.319 1.00 61.28 O ATOM 1091 C2' C C 38 27.065 24.310 19.903 1.00 56.05 C ATOM 1092 O2' C C 38 27.769 23.943 18.745 1.00 59.40 O ATOM 1093 C1' C C 38 27.186 25.830 20.092 1.00 54.91 C ATOM 1094 N1 C C 38 28.222 26.385 20.955 1.00 55.75 N ATOM 1095 C2 C C 38 29.117 27.328 20.424 1.00 53.93 C ATOM 1096 O2 C C 38 29.062 27.587 19.218 1.00 57.28 O ATOM 1097 N3 C C 38 30.012 27.924 21.238 1.00 50.90 N ATOM 1098 C4 C C 38 30.053 27.585 22.529 1.00 53.72 C ATOM 1099 N4 C C 38 30.950 28.208 23.344 1.00 54.45 N ATOM 1100 C5 C C 38 29.181 26.593 23.076 1.00 54.62 C ATOM 1101 C6 C C 38 28.294 26.026 22.263 1.00 54.13 C ATOM 1102 P C C 39 24.018 23.494 17.648 1.00 62.12 P ATOM 1103 OP1 C C 39 24.126 22.100 18.123 1.00 64.39 O ATOM 1104 OP2 C C 39 24.111 23.792 16.192 1.00 62.26 O ATOM 1105 O5' C C 39 22.682 24.140 18.251 1.00 66.93 O ATOM 1106 C5' C C 39 21.865 25.088 17.514 1.00 66.31 C ATOM 1107 C4' C C 39 20.469 25.161 18.128 1.00 66.96 C ATOM 1108 O4' C C 39 19.887 23.823 18.108 1.00 68.68 O ATOM 1109 C3' C C 39 20.600 25.544 19.611 1.00 68.18 C ATOM 1110 O3' C C 39 19.543 26.377 20.122 1.00 65.93 O ATOM 1111 C2' C C 39 20.605 24.215 20.356 1.00 69.44 C ATOM 1112 O2' C C 39 19.994 24.280 21.615 1.00 71.53 O ATOM 1113 C1' C C 39 19.753 23.364 19.424 1.00 70.14 C ATOM 1114 N1 C C 39 19.839 21.911 19.497 1.00 74.53 N ATOM 1115 C2 C C 39 18.674 21.235 19.856 1.00 77.01 C ATOM 1116 O2 C C 39 17.622 21.897 19.994 1.00 76.05 O ATOM 1117 N3 C C 39 18.708 19.892 20.028 1.00 76.64 N ATOM 1118 C4 C C 39 19.848 19.226 19.819 1.00 77.32 C ATOM 1119 N4 C C 39 19.838 17.900 20.009 1.00 77.53 N ATOM 1120 C5 C C 39 21.050 19.891 19.409 1.00 75.75 C ATOM 1121 C6 C C 39 20.999 21.224 19.262 1.00 75.25 C ATOM 1122 P A C 40 19.508 27.964 19.829 1.00 68.29 P ATOM 1123 OP1 A C 40 18.218 28.474 20.358 1.00 67.25 O ATOM 1124 OP2 A C 40 19.871 28.232 18.411 1.00 65.75 O ATOM 1125 O5' A C 40 20.656 28.527 20.768 1.00 66.04 O ATOM 1126 C5' A C 40 20.829 28.003 22.068 1.00 58.77 C ATOM 1127 C4' A C 40 22.196 28.370 22.579 1.00 63.55 C ATOM 1128 O4' A C 40 23.191 27.787 21.692 1.00 59.07 O ATOM 1129 C3' A C 40 22.506 29.862 22.533 1.00 61.57 C ATOM 1130 O3' A C 40 22.028 30.523 23.703 1.00 62.50 O ATOM 1131 C2' A C 40 24.026 29.863 22.490 1.00 60.74 C ATOM 1132 O2' A C 40 24.586 29.667 23.764 1.00 58.93 O ATOM 1133 C1' A C 40 24.314 28.635 21.618 1.00 56.65 C ATOM 1134 N9 A C 40 24.582 28.938 20.218 1.00 54.96 N ATOM 1135 C8 A C 40 23.759 28.805 19.126 1.00 55.42 C ATOM 1136 N7 A C 40 24.318 29.180 17.999 1.00 52.45 N ATOM 1137 C5 A C 40 25.593 29.578 18.378 1.00 52.75 C ATOM 1138 C6 A C 40 26.676 30.069 17.651 1.00 54.52 C ATOM 1139 N6 A C 40 26.643 30.274 16.334 1.00 56.08 N ATOM 1140 N1 A C 40 27.809 30.356 18.322 1.00 53.81 N ATOM 1141 C2 A C 40 27.833 30.175 19.641 1.00 52.07 C ATOM 1142 N3 A C 40 26.879 29.727 20.439 1.00 54.22 N ATOM 1143 C4 A C 40 25.769 29.436 19.733 1.00 53.43 C ATOM 1144 P U C 41 21.443 32.024 23.605 1.00 57.86 P ATOM 1145 OP1 U C 41 20.999 32.338 24.966 1.00 60.76 O ATOM 1146 OP2 U C 41 20.513 32.155 22.467 1.00 62.84 O ATOM 1147 O5' U C 41 22.696 32.937 23.242 1.00 57.02 O ATOM 1148 C5' U C 41 23.805 32.990 24.104 1.00 51.32 C ATOM 1149 C4' U C 41 24.936 33.748 23.461 1.00 55.96 C ATOM 1150 O4' U C 41 25.256 33.182 22.154 1.00 54.71 O ATOM 1151 C3' U C 41 24.478 35.176 23.191 1.00 53.31 C ATOM 1152 O3' U C 41 25.485 36.048 23.701 1.00 55.57 O ATOM 1153 C2' U C 41 24.081 35.207 21.720 1.00 52.50 C ATOM 1154 O2' U C 41 24.370 36.381 21.007 1.00 57.99 O ATOM 1155 C1' U C 41 24.993 34.132 21.158 1.00 54.14 C ATOM 1156 N1 U C 41 24.644 33.499 19.882 1.00 54.66 N ATOM 1157 C2 U C 41 25.454 33.787 18.806 1.00 53.26 C ATOM 1158 O2 U C 41 26.429 34.472 18.899 1.00 55.43 O ATOM 1159 N3 U C 41 25.077 33.244 17.616 1.00 54.30 N ATOM 1160 C4 U C 41 23.990 32.461 17.390 1.00 58.35 C ATOM 1161 O4 U C 41 23.706 32.142 16.239 1.00 61.08 O ATOM 1162 C5 U C 41 23.206 32.178 18.561 1.00 59.99 C ATOM 1163 C6 U C 41 23.565 32.697 19.745 1.00 56.76 C ATOM 1164 P U C 42 25.280 37.639 23.770 1.00 54.23 P ATOM 1165 OP1 U C 42 25.273 37.975 25.192 1.00 53.10 O ATOM 1166 OP2 U C 42 24.192 38.104 22.895 1.00 53.88 O ATOM 1167 O5' U C 42 26.648 38.161 23.186 1.00 52.14 O ATOM 1168 C5' U C 42 26.928 39.515 23.030 1.00 53.02 C ATOM 1169 C4' U C 42 27.603 39.727 21.703 1.00 55.55 C ATOM 1170 O4' U C 42 28.701 38.778 21.532 1.00 54.95 O ATOM 1171 C3' U C 42 26.592 39.386 20.603 1.00 57.37 C ATOM 1172 O3' U C 42 26.835 40.294 19.537 1.00 65.60 O ATOM 1173 C2' U C 42 26.928 37.957 20.183 1.00 57.73 C ATOM 1174 O2' U C 42 26.785 37.716 18.810 1.00 60.25 O ATOM 1175 C1' U C 42 28.423 37.918 20.455 1.00 52.63 C ATOM 1176 N1 U C 42 29.033 36.606 20.659 1.00 53.07 N ATOM 1177 C2 U C 42 29.917 36.126 19.699 1.00 50.70 C ATOM 1178 O2 U C 42 30.237 36.731 18.707 1.00 49.62 O ATOM 1179 N3 U C 42 30.419 34.896 19.951 1.00 51.93 N ATOM 1180 C4 U C 42 30.153 34.102 21.019 1.00 54.10 C ATOM 1181 O4 U C 42 30.651 32.982 21.076 1.00 55.73 O ATOM 1182 C5 U C 42 29.253 34.662 21.957 1.00 56.84 C ATOM 1183 C6 U C 42 28.735 35.871 21.746 1.00 54.68 C ATOM 1184 P A C 43 25.670 41.154 18.871 1.00 61.59 P ATOM 1185 OP1 A C 43 25.439 42.330 19.741 1.00 63.77 O ATOM 1186 OP2 A C 43 24.539 40.274 18.522 1.00 63.82 O ATOM 1187 O5' A C 43 26.446 41.657 17.581 1.00 55.70 O ATOM 1188 C5' A C 43 27.728 42.259 17.740 1.00 57.09 C ATOM 1189 C4' A C 43 28.564 42.043 16.507 1.00 58.65 C ATOM 1190 O4' A C 43 28.928 40.652 16.392 1.00 62.47 O ATOM 1191 C3' A C 43 27.918 42.402 15.188 1.00 60.67 C ATOM 1192 O3' A C 43 28.171 43.774 14.936 1.00 63.93 O ATOM 1193 C2' A C 43 28.691 41.523 14.216 1.00 61.45 C ATOM 1194 O2' A C 43 29.970 42.054 13.938 1.00 60.99 O ATOM 1195 C1' A C 43 28.872 40.252 15.043 1.00 60.88 C ATOM 1196 N9 A C 43 27.728 39.364 14.942 1.00 59.55 N ATOM 1197 C8 A C 43 26.980 38.894 15.981 1.00 60.66 C ATOM 1198 N7 A C 43 26.017 38.085 15.625 1.00 57.88 N ATOM 1199 C5 A C 43 26.133 38.027 14.255 1.00 60.61 C ATOM 1200 C6 A C 43 25.405 37.334 13.290 1.00 62.54 C ATOM 1201 N6 A C 43 24.399 36.497 13.581 1.00 61.42 N ATOM 1202 N1 A C 43 25.757 37.511 11.998 1.00 63.39 N ATOM 1203 C2 A C 43 26.798 38.314 11.719 1.00 61.91 C ATOM 1204 N3 A C 43 27.579 39.003 12.548 1.00 62.45 N ATOM 1205 C4 A C 43 27.181 38.819 13.817 1.00 62.32 C ATOM 1206 P C C 44 26.953 44.764 14.625 1.00 65.44 P ATOM 1207 OP1 C C 44 27.655 46.020 14.281 1.00 67.20 O ATOM 1208 OP2 C C 44 25.968 44.756 15.725 1.00 64.51 O ATOM 1209 O5' C C 44 26.228 44.095 13.370 1.00 65.25 O ATOM 1210 C5' C C 44 26.803 44.117 12.064 1.00 66.26 C ATOM 1211 C4' C C 44 25.917 43.349 11.097 1.00 68.34 C ATOM 1212 O4' C C 44 25.987 41.935 11.409 1.00 68.18 O ATOM 1213 C3' C C 44 24.433 43.666 11.187 1.00 70.06 C ATOM 1214 O3' C C 44 24.083 44.800 10.423 1.00 72.21 O ATOM 1215 C2' C C 44 23.787 42.404 10.646 1.00 70.85 C ATOM 1216 O2' C C 44 23.755 42.340 9.232 1.00 75.79 O ATOM 1217 C1' C C 44 24.717 41.336 11.214 1.00 68.37 C ATOM 1218 N1 C C 44 24.237 40.881 12.516 1.00 66.24 N ATOM 1219 C2 C C 44 23.195 39.945 12.561 1.00 67.32 C ATOM 1220 O2 C C 44 22.668 39.573 11.497 1.00 70.80 O ATOM 1221 N3 C C 44 22.774 39.483 13.756 1.00 65.57 N ATOM 1222 C4 C C 44 23.331 39.942 14.875 1.00 63.60 C ATOM 1223 N4 C C 44 22.889 39.448 16.025 1.00 63.55 N ATOM 1224 C5 C C 44 24.370 40.922 14.858 1.00 61.79 C ATOM 1225 C6 C C 44 24.793 41.355 13.668 1.00 62.45 C ATOM 1226 P C C 45 22.914 45.766 10.935 1.00 73.99 P ATOM 1227 OP1 C C 45 22.978 46.954 10.048 1.00 80.68 O ATOM 1228 OP2 C C 45 23.050 45.950 12.400 1.00 78.98 O ATOM 1229 O5' C C 45 21.577 44.942 10.670 1.00 72.99 O ATOM 1230 C5' C C 45 21.268 44.479 9.370 1.00 71.55 C ATOM 1231 C4' C C 45 20.022 43.638 9.395 1.00 74.15 C ATOM 1232 O4' C C 45 20.288 42.392 10.090 1.00 75.99 O ATOM 1233 C3' C C 45 18.868 44.235 10.171 1.00 77.03 C ATOM 1234 O3' C C 45 18.129 45.164 9.406 1.00 82.40 O ATOM 1235 C2' C C 45 18.034 43.014 10.513 1.00 77.62 C ATOM 1236 O2' C C 45 17.203 42.592 9.453 1.00 79.92 O ATOM 1237 C1' C C 45 19.123 41.983 10.791 1.00 76.51 C ATOM 1238 N1 C C 45 19.430 41.948 12.221 1.00 75.77 N ATOM 1239 C2 C C 45 18.629 41.171 13.053 1.00 76.15 C ATOM 1240 O2 C C 45 17.675 40.535 12.549 1.00 76.42 O ATOM 1241 N3 C C 45 18.907 41.128 14.377 1.00 74.86 N ATOM 1242 C4 C C 45 19.933 41.828 14.867 1.00 73.65 C ATOM 1243 N4 C C 45 20.182 41.742 16.177 1.00 73.39 N ATOM 1244 C5 C C 45 20.753 42.640 14.040 1.00 72.46 C ATOM 1245 C6 C C 45 20.473 42.667 12.734 1.00 74.85 C ATOM 1246 P U C 46 17.361 46.357 10.153 1.00 83.90 P ATOM 1247 OP1 U C 46 16.901 47.300 9.117 1.00 86.83 O ATOM 1248 OP2 U C 46 18.253 46.842 11.237 1.00 80.71 O ATOM 1249 O5' U C 46 16.076 45.636 10.744 1.00 78.96 O ATOM 1250 C5' U C 46 15.149 45.042 9.865 1.00 79.32 C ATOM 1251 C4' U C 46 14.062 44.353 10.638 1.00 80.54 C ATOM 1252 O4' U C 46 14.649 43.254 11.383 1.00 78.13 O ATOM 1253 C3' U C 46 13.362 45.186 11.702 1.00 81.04 C ATOM 1254 O3' U C 46 12.329 46.007 11.167 1.00 84.81 O ATOM 1255 C2' U C 46 12.817 44.106 12.629 1.00 81.20 C ATOM 1256 O2' U C 46 11.663 43.479 12.118 1.00 79.83 O ATOM 1257 C1' U C 46 13.966 43.095 12.622 1.00 78.83 C ATOM 1258 N1 U C 46 14.912 43.333 13.726 1.00 75.05 N ATOM 1259 C2 U C 46 14.610 42.790 14.956 1.00 74.16 C ATOM 1260 O2 U C 46 13.591 42.150 15.158 1.00 72.66 O ATOM 1261 N3 U C 46 15.537 43.036 15.943 1.00 72.82 N ATOM 1262 C4 U C 46 16.704 43.769 15.820 1.00 73.91 C ATOM 1263 O4 U C 46 17.471 43.855 16.775 1.00 74.61 O ATOM 1264 C5 U C 46 16.933 44.312 14.522 1.00 72.88 C ATOM 1265 C6 U C 46 16.055 44.076 13.543 1.00 75.33 C ATOM 1266 P G C 47 11.867 47.349 11.950 1.00 87.70 P ATOM 1267 OP1 G C 47 10.952 48.079 11.037 1.00 89.24 O ATOM 1268 OP2 G C 47 13.034 48.060 12.535 1.00 82.11 O ATOM 1269 O5' G C 47 10.983 46.805 13.151 1.00 79.01 O ATOM 1270 C5' G C 47 9.788 46.126 12.887 1.00 75.51 C ATOM 1271 C4' G C 47 9.198 45.626 14.167 1.00 76.63 C ATOM 1272 O4' G C 47 10.110 44.665 14.753 1.00 78.25 O ATOM 1273 C3' G C 47 9.059 46.682 15.242 1.00 76.72 C ATOM 1274 O3' G C 47 7.884 47.427 15.089 1.00 73.80 O ATOM 1275 C2' G C 47 9.030 45.845 16.504 1.00 77.83 C ATOM 1276 O2' G C 47 7.769 45.238 16.708 1.00 76.35 O ATOM 1277 C1' G C 47 10.073 44.779 16.167 1.00 76.43 C ATOM 1278 N9 G C 47 11.410 45.132 16.652 1.00 75.66 N ATOM 1279 C8 G C 47 12.478 45.612 15.924 1.00 74.94 C ATOM 1280 N7 G C 47 13.545 45.810 16.653 1.00 73.99 N ATOM 1281 C5 G C 47 13.157 45.439 17.937 1.00 72.60 C ATOM 1282 C6 G C 47 13.887 45.421 19.138 1.00 71.85 C ATOM 1283 O6 G C 47 15.076 45.719 19.311 1.00 72.29 O ATOM 1284 N1 G C 47 13.105 44.995 20.208 1.00 68.32 N ATOM 1285 C2 G C 47 11.786 44.622 20.119 1.00 71.51 C ATOM 1286 N2 G C 47 11.174 44.239 21.247 1.00 69.54 N ATOM 1287 N3 G C 47 11.104 44.620 19.001 1.00 72.67 N ATOM 1288 C4 G C 47 11.844 45.035 17.955 1.00 73.02 C ATOM 1289 P C C 48 7.811 48.903 15.698 1.00 80.02 P ATOM 1290 OP1 C C 48 6.444 49.333 15.319 1.00 83.11 O ATOM 1291 OP2 C C 48 8.976 49.745 15.298 1.00 66.18 O ATOM 1292 O5' C C 48 7.815 48.629 17.263 1.00 74.49 O ATOM 1293 C5' C C 48 6.748 47.889 17.839 1.00 73.20 C ATOM 1294 C4' C C 48 6.817 47.941 19.346 1.00 74.85 C ATOM 1295 O4' C C 48 7.831 47.011 19.820 1.00 74.13 O ATOM 1296 C3' C C 48 7.211 49.278 19.956 1.00 72.94 C ATOM 1297 O3' C C 48 6.107 50.144 20.088 1.00 70.60 O ATOM 1298 C2' C C 48 7.736 48.846 21.312 1.00 73.19 C ATOM 1299 O2' C C 48 6.683 48.501 22.174 1.00 69.66 O ATOM 1300 C1' C C 48 8.481 47.563 20.948 1.00 74.90 C ATOM 1301 N1 C C 48 9.877 47.865 20.585 1.00 74.97 N ATOM 1302 C2 C C 48 10.849 47.903 21.601 1.00 74.21 C ATOM 1303 O2 C C 48 10.510 47.653 22.776 1.00 73.23 O ATOM 1304 N3 C C 48 12.122 48.203 21.277 1.00 73.06 N ATOM 1305 C4 C C 48 12.445 48.445 20.005 1.00 73.37 C ATOM 1306 N4 C C 48 13.718 48.725 19.726 1.00 71.31 N ATOM 1307 C5 C C 48 11.481 48.407 18.959 1.00 72.73 C ATOM 1308 C6 C C 48 10.224 48.117 19.288 1.00 73.89 C ATOM 1309 P C C 49 6.345 51.722 20.212 1.00 72.78 P ATOM 1310 OP1 C C 49 5.000 52.306 20.399 1.00 75.64 O ATOM 1311 OP2 C C 49 7.226 52.221 19.114 1.00 70.19 O ATOM 1312 O5' C C 49 7.136 51.891 21.583 1.00 73.03 O ATOM 1313 C5' C C 49 6.548 51.508 22.821 1.00 70.08 C ATOM 1314 C4' C C 49 7.534 51.700 23.961 1.00 67.90 C ATOM 1315 O4' C C 49 8.627 50.753 23.812 1.00 67.56 O ATOM 1316 C3' C C 49 8.229 53.050 24.038 1.00 66.97 C ATOM 1317 O3' C C 49 7.483 54.154 24.562 1.00 67.54 O ATOM 1318 C2' C C 49 9.476 52.705 24.834 1.00 64.72 C ATOM 1319 O2' C C 49 9.146 52.424 26.181 1.00 61.49 O ATOM 1320 C1' C C 49 9.836 51.355 24.232 1.00 64.72 C ATOM 1321 N1 C C 49 10.759 51.465 23.085 1.00 66.79 N ATOM 1322 C2 C C 49 12.125 51.414 23.336 1.00 65.69 C ATOM 1323 O2 C C 49 12.508 51.327 24.491 1.00 66.63 O ATOM 1324 N3 C C 49 12.995 51.476 22.322 1.00 66.26 N ATOM 1325 C4 C C 49 12.560 51.609 21.082 1.00 66.97 C ATOM 1326 N4 C C 49 13.473 51.664 20.124 1.00 66.44 N ATOM 1327 C5 C C 49 11.167 51.692 20.776 1.00 67.50 C ATOM 1328 C6 C C 49 10.305 51.614 21.804 1.00 67.55 C TER HETATM 1330 S SO4 A 14 38.243 39.729 29.900 1.00164.99 S HETATM 1331 O1 SO4 A 14 39.390 38.798 29.931 1.00164.12 O HETATM 1332 O2 SO4 A 14 38.348 40.574 28.686 1.00163.74 O HETATM 1333 O3 SO4 A 14 36.989 38.942 29.843 1.00163.73 O HETATM 1334 O4 SO4 A 14 38.253 40.571 31.126 1.00163.18 O TER HETATM 1335 MG MG B 1 19.137 31.639 18.078 1.00 84.82 MG TER HETATM 1336 O HOH A 15 29.497 31.607 23.319 1.00 52.73 O HETATM 1337 O HOH A 16 27.000 23.623 24.819 1.00 59.89 O HETATM 1338 O HOH A 17 28.337 45.027 28.611 1.00 60.37 O HETATM 1339 O HOH A 18 35.221 36.919 30.275 1.00 75.28 O HETATM 1340 O HOH A 19 31.978 31.550 24.842 1.00 51.49 O HETATM 1341 O HOH A 20 28.310 21.177 30.198 1.00 81.71 O HETATM 1342 O HOH A 21 25.792 42.055 35.245 1.00 79.79 O HETATM 1343 O HOH A 22 28.213 43.397 36.242 1.00 73.07 O TER HETATM 1344 O HOH B 32 43.461 10.866 14.207 1.00 54.90 O HETATM 1345 O HOH B 33 41.786 11.560 18.231 1.00 68.37 O HETATM 1346 O HOH B 34 39.412 22.482 15.604 1.00 68.45 O HETATM 1347 O HOH B 35 13.409 38.290 11.249 1.00 71.89 O HETATM 1348 O HOH B 36 19.234 40.607 20.266 1.00 68.42 O HETATM 1349 O HOH B 37 34.978 26.010 25.001 1.00 57.93 O HETATM 1350 O HOH B 38 43.200 31.748 16.937 1.00 65.93 O HETATM 1351 O HOH B 39 32.245 26.405 9.391 1.00 81.45 O HETATM 1352 O HOH B 40 37.028 6.989 7.187 1.00 77.73 O HETATM 1353 O HOH B 41 38.567 5.000 8.142 1.00 68.97 O HETATM 1354 O HOH B 42 35.411 24.306 14.558 1.00 78.07 O HETATM 1355 O HOH B 43 29.707 28.463 30.368 1.00 65.15 O HETATM 1356 O HOH B 44 9.326 43.157 25.603 1.00 58.94 O HETATM 1357 O HOH B 45 34.549 25.556 9.268 1.00 90.98 O HETATM 1358 O HOH B 46 32.448 13.507 17.596 1.00 69.71 O TER HETATM 1359 O HOH C 50 32.605 30.380 22.809 1.00 57.80 O HETATM 1360 O HOH C 51 43.583 19.341 15.147 1.00 66.73 O HETATM 1361 O HOH C 52 30.032 24.775 15.187 1.00 78.45 O HETATM 1362 O HOH C 53 30.748 15.150 19.459 1.00 67.78 O HETATM 1363 O HOH C 54 27.095 23.888 15.066 1.00 80.32 O HETATM 1364 O HOH C 55 40.178 21.817 12.100 1.00 72.23 O HETATM 1365 O HOH C 56 40.761 19.873 14.154 1.00 84.02 O HETATM 1366 O HOH C 57 43.145 22.610 14.971 1.00 82.58 O HETATM 1367 O HOH C 58 9.857 51.874 13.578 1.00 70.06 O HETATM 1368 O HOH C 59 24.348 35.779 9.152 1.00 85.48 O TER END """ def write_plor_map(map_data, file_name, n_real, unit_cell): import iotbx.xplor.map frac_min, frac_max = (0.0, 0.0, 0.0), (1.0, 1.0, 1.0) gridding_first=[ifloor(f*n) for f,n in zip(frac_min,n_real)] gridding_last=[iceil(f*n) for f,n in zip(frac_max,n_real)] gridding = iotbx.xplor.map.gridding(n = map_data.focus(), first = gridding_first, last = gridding_last) iotbx.xplor.map.writer( file_name = file_name, is_p1_cell = True, title_lines = [' None',], unit_cell = unit_cell, gridding = gridding, data = map_data, average = -1, standard_deviation = -1) def exercise(): import iotbx.pdb # xrs_orig = iotbx.pdb.input(source_info=None, lines=pdb_str).\ xray_structure_simple() # fc_1 = xrs_orig.structure_factors(d_min = 3).f_calc() fft_map_1 = fc_1.fft_map(resolution_factor=1./3) n_real = fft_map_1.n_real() #>>> map 1 fft_map = miller.fft_map( crystal_gridding = fft_map_1, fourier_coefficients = fc_1) fft_map.apply_sigma_scaling() map_data_1 = fft_map.real_map_unpadded() # write_plor_map( map_data=map_data_1, file_name="map_1_SigmaScaled.xplor", n_real=n_real, unit_cell=fc_1.unit_cell()) #>>> map 2 fc_2 = fc_1.resolution_filter(d_max=30) fft_map = miller.fft_map( crystal_gridding = fft_map_1, fourier_coefficients = fc_2) fft_map.apply_sigma_scaling() map_data_2 = fft_map.real_map_unpadded() # write_plor_map( map_data=map_data_2, file_name="map_2_SigmaScaled.xplor", n_real=n_real, unit_cell=fc_2.unit_cell()) #----------------------------------------------------------------------------- result = [] print("Original (sigma-scaled):") cc = maptbx.ccv( centered = True, modified = False, map_1 = map_data_1, map_2 = map_data_2) print(" CC(centered): %7.5f"%cc) result.append(cc) # cc = maptbx.ccv( centered = False, modified = False, map_1 = map_data_1, map_2 = map_data_2) print(" CC(non-cen): %7.5f"%cc) result.append(cc) assert approx_equal(result, [0.81510, 0.81510], 1.e-4) assert approx_equal(result[0], result[1], 1.e-6) #----------------------------------------------------------------------------- result = [] print("Percentile:") print(" Centered:") for p in [None, 0.5,0.6,0.7,0.8,0.9,0.95,0.99]: cc = maptbx.ccv( centered = True, modified = True, cutoff = p, map_1 = map_data_1, map_2 = map_data_2) result.append(cc) print(" CC%s: %7.5f"%(str(p), cc)) assert approx_equal(result, [0.17736, 0.12442, 0.19184, 0.32817, 0.57918, 0.89395, 0.87455, 0.65101], 1.e-4) #----------------------------------------------------------------------------- result = [] print("Percentile:") print(" Non-centered:") for p in [None, 0.5,0.6,0.7,0.8,0.9,0.95,0.99]: cc = maptbx.ccv( centered = False, modified = True, cutoff = p, map_1 = map_data_1, map_2 = map_data_2) result.append(cc) print(" CC%s: %7.5f"%(str(p), cc)) assert approx_equal(result, [0.79293, 0.56875, 0.58151, 0.64248, 0.78119, 0.95907, 0.95905, 0.86516], 1.e-4) if (__name__ == "__main__"): exercise()