NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
592934 | 2n21 | 25582 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 1 HT1 SER 1 6.478 -32.559 24.849 2 H2 SER 1 HT2 SER 1 4.835 -32.992 24.879 3 H3 SER 1 HT3 SER 1 5.750 -33.215 23.464 4 HA SER 1 HA SER 1 7.193 -34.634 25.208 5 HB2 SER 1 HB3 SER 1 5.440 -36.020 26.418 6 HB3 SER 1 HB2 SER 1 5.657 -34.385 27.038 7 HG SER 1 HG SER 1 3.511 -34.540 26.777 8 H MET 2 H MET 2 5.172 -34.146 22.660 9 HA MET 2 HA MET 2 5.569 -36.902 21.696 10 HB2 MET 2 HB3 MET 2 3.272 -36.924 22.320 11 HB3 MET 2 HB2 MET 2 2.999 -35.320 21.639 12 HG2 MET 2 HG3 MET 2 2.153 -37.174 20.176 13 HG3 MET 2 HG2 MET 2 3.357 -36.155 19.387 14 HE1 MET 2 HE1 MET 2 4.768 -38.473 17.563 15 HE2 MET 2 HE2 MET 2 3.167 -37.784 17.820 16 HE3 MET 2 HE3 MET 2 3.408 -39.521 17.990 17 H HIS 3 H HIS 3 5.139 -33.489 21.041 18 HA HIS 3 HA HIS 3 5.967 -33.927 18.239 19 HB2 HIS 3 HB3 HIS 3 5.243 -31.292 18.381 20 HB3 HIS 3 HB2 HIS 3 4.166 -32.600 17.889 21 HD2 HIS 3 HD2 HIS 3 1.841 -32.414 19.350 22 HE1 HIS 3 HE1 HIS 3 3.497 -31.012 22.973 23 HE2 HIS 3 HE2 HIS 3 1.344 -31.692 21.810 24 HA PRO 4 HA PRO 4 9.912 -32.153 18.931 25 HB2 PRO 4 HB3 PRO 4 10.139 -30.546 16.672 26 HB3 PRO 4 HB2 PRO 4 10.464 -32.288 16.721 27 HG2 PRO 4 HG3 PRO 4 8.065 -30.836 15.754 28 HG3 PRO 4 HG2 PRO 4 8.810 -32.325 15.149 29 HD2 PRO 4 HD3 PRO 4 6.535 -32.334 16.651 30 HD3 PRO 4 HD2 PRO 4 7.717 -33.662 16.695 31 H GLY 5 H GLY 5 8.241 -29.509 17.231 32 HA2 GLY 5 HA3 GLY 5 7.629 -27.390 17.948 33 HA3 GLY 5 HA2 GLY 5 8.013 -27.875 19.597 34 H HIS 6 H HIS 6 10.707 -28.739 19.021 35 HA HIS 6 HA HIS 6 12.014 -26.163 19.152 36 HB2 HIS 6 HB3 HIS 6 13.625 -28.648 18.943 37 HB3 HIS 6 HB2 HIS 6 13.783 -27.289 20.057 38 HD2 HIS 6 HD2 HIS 6 11.448 -27.311 22.021 39 HE1 HIS 6 HE1 HIS 6 11.346 -31.531 21.949 40 HE2 HIS 6 HE2 HIS 6 10.566 -29.466 23.204 41 H LEU 7 H LEU 7 11.020 -28.106 16.647 42 HA LEU 7 HA LEU 7 13.295 -27.743 14.896 43 HB2 LEU 7 HB3 LEU 7 10.604 -29.008 14.704 44 HB3 LEU 7 HB2 LEU 7 11.372 -28.491 13.202 45 HG LEU 7 HG LEU 7 13.293 -29.857 13.603 46 HD11 LEU 7 HD11 LEU 7 12.216 -29.889 16.394 47 HD12 LEU 7 HD12 LEU 7 13.875 -29.679 15.836 48 HD13 LEU 7 HD13 LEU 7 13.145 -31.284 15.846 49 HD21 LEU 7 HD21 LEU 7 12.341 -32.048 13.596 50 HD22 LEU 7 HD22 LEU 7 11.100 -30.995 12.918 51 HD23 LEU 7 HD23 LEU 7 10.978 -31.536 14.591 52 H LYS 8 H LYS 8 13.373 -26.407 13.066 53 HA LYS 8 HA LYS 8 11.325 -24.289 12.921 54 HB2 LYS 8 HB3 LYS 8 12.914 -22.979 13.910 55 HB3 LYS 8 HB2 LYS 8 14.240 -24.027 13.412 56 HG2 LYS 8 HG3 LYS 8 14.259 -21.788 12.278 57 HG3 LYS 8 HG2 LYS 8 14.166 -23.142 11.152 58 HD2 LYS 8 HD3 LYS 8 12.176 -22.440 10.363 59 HD3 LYS 8 HD2 LYS 8 11.514 -22.317 11.992 60 HE2 LYS 8 HE3 LYS 8 11.553 -20.126 10.774 61 HE3 LYS 8 HE2 LYS 8 12.477 -20.106 12.276 62 HZ1 LYS 8 HZ1 LYS 8 13.497 -20.289 9.505 63 HZ2 LYS 8 HZ2 LYS 8 14.456 -20.695 10.847 64 HZ3 LYS 8 HZ3 LYS 8 13.851 -19.117 10.678 65 H GLY 9 H GLY 9 10.479 -24.216 10.950 66 HA2 GLY 9 HA3 GLY 9 10.635 -23.863 8.599 67 HA3 GLY 9 HA2 GLY 9 12.210 -24.651 8.613 68 H ARG 10 H ARG 10 10.925 -25.662 6.695 69 HA ARG 10 HA ARG 10 8.858 -27.419 6.843 70 HB2 ARG 10 HB3 ARG 10 11.452 -28.095 5.443 71 HB3 ARG 10 HB2 ARG 10 9.828 -28.627 5.008 72 HG2 ARG 10 HG3 ARG 10 9.387 -25.995 4.926 73 HG3 ARG 10 HG2 ARG 10 11.122 -25.966 4.604 74 HD2 ARG 10 HD3 ARG 10 8.967 -27.379 3.024 75 HD3 ARG 10 HD2 ARG 10 10.067 -26.122 2.467 76 HE ARG 10 HE ARG 10 11.558 -28.364 3.355 77 HH11 ARG 10 HH21 ARG 10 9.446 -27.297 0.829 78 HH12 ARG 10 HH22 ARG 10 10.125 -28.346 -0.370 79 HH21 ARG 10 HH11 ARG 10 12.454 -29.742 1.786 80 HH22 ARG 10 HH12 ARG 10 11.827 -29.730 0.171 81 H GLU 11 H GLU 11 11.740 -27.603 8.628 82 HA GLU 11 HA GLU 11 12.189 -30.323 8.958 83 HB2 GLU 11 HB3 GLU 11 12.397 -28.092 10.992 84 HB3 GLU 11 HB2 GLU 11 13.055 -29.713 11.219 85 HG2 GLU 11 HG3 GLU 11 14.599 -29.455 9.435 86 HG3 GLU 11 HG2 GLU 11 13.758 -28.038 8.808 87 H ILE 12 H ILE 12 9.950 -28.220 10.760 88 HA ILE 12 HA ILE 12 8.856 -30.475 12.223 89 HB ILE 12 HB ILE 12 9.095 -28.227 13.259 90 HG12 ILE 12 HG13 ILE 12 6.166 -28.926 13.030 91 HG13 ILE 12 HG12 ILE 12 7.298 -29.987 13.869 92 HG21 ILE 12 HG21 ILE 12 8.535 -26.935 11.200 93 HG22 ILE 12 HG22 ILE 12 7.570 -26.439 12.591 94 HG23 ILE 12 HG23 ILE 12 6.863 -27.473 11.349 95 HD11 ILE 12 HD11 ILE 12 6.023 -28.118 15.215 96 HD12 ILE 12 HD12 ILE 12 7.260 -27.060 14.535 97 HD13 ILE 12 HD13 ILE 12 7.728 -28.427 15.547 98 H GLY 13 H GLY 13 8.029 -28.502 9.448 99 HA2 GLY 13 HA3 GLY 13 5.303 -29.269 9.226 100 HA3 GLY 13 HA2 GLY 13 6.298 -28.606 7.933 101 H MET 14 H MET 14 8.308 -30.773 8.261 102 HA MET 14 HA MET 14 6.846 -32.830 6.744 103 HB2 MET 14 HB3 MET 14 9.827 -32.353 6.969 104 HB3 MET 14 HB2 MET 14 9.032 -33.504 5.894 105 HG2 MET 14 HG3 MET 14 8.623 -30.499 5.842 106 HG3 MET 14 HG2 MET 14 9.618 -31.410 4.705 107 HE1 MET 14 HE1 MET 14 6.266 -30.097 5.685 108 HE2 MET 14 HE2 MET 14 5.478 -30.245 4.116 109 HE3 MET 14 HE3 MET 14 7.033 -29.426 4.239 110 H TRP 15 H TRP 15 7.617 -32.307 9.846 111 HA TRP 15 HA TRP 15 8.700 -34.943 10.467 112 HB2 TRP 15 HB3 TRP 15 9.102 -32.583 11.667 113 HB3 TRP 15 HB2 TRP 15 7.721 -33.135 12.615 114 HD1 TRP 15 HD1 TRP 15 11.300 -34.135 11.674 115 HE1 TRP 15 HE1 TRP 15 12.167 -35.824 13.418 116 HE3 TRP 15 HE2 TRP 15 7.039 -34.859 14.393 117 HZ2 TRP 15 HZ2 TRP 15 11.183 -37.288 15.670 118 HZ3 TRP 15 HZ3 TRP 15 7.031 -36.405 16.331 119 HH2 TRP 15 HH2 TRP 15 9.096 -37.619 16.972 120 H TYR 16 H TYR 16 5.684 -33.133 10.795 121 HA TYR 16 HA TYR 16 4.090 -35.481 10.778 122 HB2 TYR 16 HB3 TYR 16 3.439 -35.736 12.997 123 HB3 TYR 16 HB2 TYR 16 5.160 -35.386 13.163 124 HD1 TYR 16 HD1 TYR 16 5.020 -32.415 12.463 125 HD2 TYR 16 HD2 TYR 16 2.666 -34.863 15.094 126 HE1 TYR 16 HE1 TYR 16 4.483 -30.423 13.835 127 HE2 TYR 16 HE2 TYR 16 2.130 -32.868 16.467 128 HH TYR 16 HH TYR 16 2.589 -29.744 15.425 129 H ALA 17 H ALA 17 4.028 -33.160 9.296 130 HA ALA 17 HA ALA 17 2.482 -31.033 10.053 131 HB1 ALA 17 HB1 ALA 17 3.031 -30.736 7.871 132 HB2 ALA 17 HB2 ALA 17 1.471 -31.500 7.567 133 HB3 ALA 17 HB3 ALA 17 2.949 -32.461 7.514 134 H LYS 18 H LYS 18 1.560 -34.312 9.956 135 HA LYS 18 HA LYS 18 -1.233 -34.045 9.515 136 HB2 LYS 18 HB3 LYS 18 -1.240 -36.283 10.851 137 HB3 LYS 18 HB2 LYS 18 -0.451 -36.233 9.275 138 HG2 LYS 18 HG3 LYS 18 1.546 -36.734 10.190 139 HG3 LYS 18 HG2 LYS 18 1.400 -35.409 11.344 140 HD2 LYS 18 HD3 LYS 18 -0.164 -37.939 11.778 141 HD3 LYS 18 HD2 LYS 18 1.537 -37.869 12.235 142 HE2 LYS 18 HE3 LYS 18 1.154 -36.043 13.739 143 HE3 LYS 18 HE2 LYS 18 -0.478 -35.793 13.121 144 HZ1 LYS 18 HZ1 LYS 18 -0.949 -38.123 13.896 145 HZ2 LYS 18 HZ2 LYS 18 -0.706 -36.975 15.124 146 HZ3 LYS 18 HZ3 LYS 18 0.530 -38.070 14.724 147 H LYS 19 H LYS 19 0.273 -32.364 11.656 148 HA LYS 19 HA LYS 19 -0.282 -31.365 13.648 149 HB2 LYS 19 HB3 LYS 19 -2.873 -32.531 12.736 150 HB3 LYS 19 HB2 LYS 19 -2.762 -31.962 14.401 151 HG2 LYS 19 HG3 LYS 19 -2.001 -29.764 13.624 152 HG3 LYS 19 HG2 LYS 19 -2.050 -30.324 11.951 153 HD2 LYS 19 HD3 LYS 19 -4.564 -30.853 13.319 154 HD3 LYS 19 HD2 LYS 19 -4.155 -29.137 13.361 155 HE2 LYS 19 HE3 LYS 19 -3.954 -29.044 10.965 156 HE3 LYS 19 HE2 LYS 19 -4.058 -30.799 10.832 157 HZ1 LYS 19 HZ1 LYS 19 -6.154 -28.863 11.064 158 HZ2 LYS 19 HZ2 LYS 19 -6.302 -30.112 12.207 159 HZ3 LYS 19 HZ3 LYS 19 -6.227 -30.478 10.550 160 H GLN 20 H GLN 20 -2.591 -33.617 14.699 161 HA GLN 20 HA GLN 20 -0.713 -35.438 15.944 162 HB2 GLN 20 HB3 GLN 20 -1.627 -34.880 18.256 163 HB3 GLN 20 HB2 GLN 20 -0.504 -33.710 17.562 164 HG2 GLN 20 HG3 GLN 20 -2.276 -32.232 16.944 165 HG3 GLN 20 HG2 GLN 20 -3.502 -33.459 17.259 166 HE21 GLN 20 HE21 GLN 20 -0.768 -31.981 19.119 167 HE22 GLN 20 HE22 GLN 20 -1.677 -31.753 20.534 168 H5' DT 1 H5' DT 1 16.780 -12.695 7.805 169 H5'' DT 1 H5'' DT 1 18.384 -12.170 7.262 170 H4' DT 1 H4' DT 1 15.801 -11.747 5.727 171 H3' DT 1 H3' DT 1 17.461 -14.082 5.802 172 H2' DT 1 H2' DT 1 19.112 -13.231 4.394 173 H2'' DT 1 H2'' DT 1 17.935 -13.721 3.134 174 H1' DT 1 H1' DT 1 17.054 -11.456 3.063 175 H3 DT 1 H3 DT 1 19.961 -9.051 0.675 176 H71 DT 1 H71 DT 1 22.523 -9.904 5.162 177 H72 DT 1 H72 DT 1 22.988 -11.370 4.268 178 H73 DT 1 H73 DT 1 23.432 -9.765 3.638 179 H6 DT 1 H6 DT 1 20.350 -11.465 4.813 180 HO5' DT 1 HO5' DT 1 17.588 -10.020 7.282 181 H5' DT 2 H5' DT 2 15.353 -16.516 3.719 182 H5'' DT 2 H5'' DT 2 13.862 -17.046 4.522 183 H4' DT 2 H4' DT 2 15.404 -18.926 4.238 184 H3' DT 2 H3' DT 2 14.372 -18.140 6.820 185 H2' DT 2 H2' DT 2 16.442 -17.957 7.845 186 H2'' DT 2 H2'' DT 2 16.418 -19.748 7.858 187 H1' DT 2 H1' DT 2 17.652 -19.845 5.818 188 H3 DT 2 H3 DT 2 21.892 -19.071 6.989 189 H71 DT 2 H71 DT 2 21.006 -14.788 8.475 190 H72 DT 2 H72 DT 2 19.660 -14.352 7.395 191 H73 DT 2 H73 DT 2 19.324 -14.983 9.026 192 H6 DT 2 H6 DT 2 17.905 -16.398 7.224 193 H5' DG 3 H5' DG 3 14.196 -21.430 3.451 194 H5'' DG 3 H5'' DG 3 13.906 -20.143 2.265 195 H4' DG 3 H4' DG 3 12.557 -22.126 1.754 196 H3' DG 3 H3' DG 3 11.404 -19.501 2.159 197 H2' DG 3 H2' DG 3 9.832 -20.171 3.716 198 H2'' DG 3 H2'' DG 3 8.945 -20.996 2.397 199 H1' DG 3 H1' DG 3 9.978 -23.028 2.747 200 H8 DG 3 H8 DG 3 10.809 -21.270 6.116 201 H1 DG 3 H1 DG 3 6.048 -25.560 6.349 202 H21 DG 3 H21 DG 3 5.612 -26.327 4.314 203 H22 DG 3 H22 DG 3 6.490 -25.789 2.899 204 H5' DG 4 H5' DG 4 8.702 -22.707 -0.001 205 H5'' DG 4 H5'' DG 4 8.028 -21.859 -1.408 206 H4' DG 4 H4' DG 4 6.327 -23.278 -0.384 207 H3' DG 4 H3' DG 4 5.973 -20.368 -0.554 208 H2' DG 4 H2' DG 4 5.097 -20.147 1.559 209 H2'' DG 4 H2'' DG 4 3.692 -21.042 0.904 210 H1' DG 4 H1' DG 4 4.590 -23.114 1.770 211 H8 DG 4 H8 DG 4 6.833 -20.470 3.580 212 H1 DG 4 H1 DG 4 2.797 -23.753 7.330 213 H21 DG 4 H21 DG 4 1.554 -25.119 6.100 214 H22 DG 4 H22 DG 4 1.717 -25.226 4.361 215 H5' DG 5 H5' DG 5 2.801 -23.703 -0.464 216 H5'' DG 5 H5'' DG 5 1.642 -23.370 -1.767 217 H4' DG 5 H4' DG 5 0.634 -24.647 0.106 218 H3' DG 5 H3' DG 5 -0.517 -22.344 -1.091 219 H2' DG 5 H2' DG 5 -0.355 -20.991 0.817 220 H2'' DG 5 H2'' DG 5 -1.892 -21.817 1.229 221 H1' DG 5 H1' DG 5 -0.708 -23.448 2.550 222 H8 DG 5 H8 DG 5 1.708 -20.383 2.229 223 H1 DG 5 H1 DG 5 -0.528 -21.604 8.115 224 H21 DG 5 H21 DG 5 -1.925 -23.332 8.052 225 H22 DG 5 H22 DG 5 -2.300 -24.181 6.571 226 H5' DT 6 H5' DT 6 1.858 -25.860 -1.673 227 H5'' DT 6 H5'' DT 6 0.710 -25.104 -2.798 228 H4' DT 6 H4' DT 6 -0.380 -27.316 -3.124 229 H3' DT 6 H3' DT 6 1.266 -28.149 -0.895 230 H2' DT 6 H2' DT 6 3.038 -28.884 -2.195 231 H2'' DT 6 H2'' DT 6 2.113 -30.266 -2.862 232 H1' DT 6 H1' DT 6 1.180 -29.254 -4.555 233 H3 DT 6 H3 DT 6 4.398 -29.872 -7.587 234 H71 DT 6 H71 DT 6 7.524 -27.457 -5.193 235 H72 DT 6 H72 DT 6 6.462 -26.283 -4.381 236 H73 DT 6 H73 DT 6 6.961 -27.767 -3.533 237 H6 DT 6 H6 DT 6 4.280 -27.527 -3.394 238 H5' DG 7 H5' DG 7 0.911 -28.739 1.173 239 H5'' DG 7 H5'' DG 7 1.596 -30.370 1.029 240 H4' DG 7 H4' DG 7 0.208 -31.087 2.966 241 H3' DG 7 H3' DG 7 -1.010 -28.443 2.658 242 H2' DG 7 H2' DG 7 0.177 -27.446 4.352 243 H2'' DG 7 H2'' DG 7 -0.824 -28.508 5.390 244 H1' DG 7 H1' DG 7 1.040 -30.097 5.496 245 H8 DG 7 H8 DG 7 3.432 -27.846 3.593 246 H1 DG 7 H1 DG 7 3.708 -27.107 9.960 247 H21 DG 7 H21 DG 7 2.026 -28.187 10.925 248 H22 DG 7 H22 DG 7 0.839 -29.086 10.007 249 H5' DG 8 H5' DG 8 -2.747 -30.505 6.670 250 H5'' DG 8 H5'' DG 8 -4.476 -30.177 6.442 251 H4' DG 8 H4' DG 8 -3.774 -29.649 8.733 252 H3' DG 8 H3' DG 8 -5.039 -27.703 6.991 253 H2' DG 8 H2' DG 8 -3.454 -26.051 7.322 254 H2'' DG 8 H2'' DG 8 -4.201 -25.863 8.939 255 H1' DG 8 H1' DG 8 -2.597 -27.336 9.921 256 H8 DG 8 H8 DG 8 -0.968 -26.291 6.517 257 H1 DG 8 H1 DG 8 1.868 -24.032 11.809 258 H21 DG 8 H21 DG 8 0.745 -24.692 13.611 259 H22 DG 8 H22 DG 8 -0.694 -25.681 13.510 260 H5' DG 9 H5' DG 9 -5.023 -27.305 11.784 261 H5'' DG 9 H5'' DG 9 -6.714 -26.899 12.138 262 H4' DG 9 H4' DG 9 -5.178 -25.839 13.741 263 H3' DG 9 H3' DG 9 -7.172 -24.407 12.274 264 H2' DG 9 H2' DG 9 -5.657 -23.033 11.138 265 H2'' DG 9 H2'' DG 9 -5.720 -22.087 12.660 266 H1' DG 9 H1' DG 9 -3.776 -23.232 13.507 267 H8 DG 9 H8 DG 9 -3.768 -23.489 9.586 268 H1 DG 9 H1 DG 9 1.077 -20.206 12.217 269 H21 DG 9 H21 DG 9 0.874 -20.201 14.432 270 H22 DG 9 H22 DG 9 -0.445 -21.000 15.256 271 H5' DT 10 H5' DT 10 -5.171 -28.059 15.309 272 H5'' DT 10 H5'' DT 10 -6.927 -27.865 15.139 273 H4' DT 10 H4' DT 10 -5.303 -27.143 17.604 274 H3' DT 10 H3' DT 10 -6.334 -29.706 16.810 275 H2' DT 10 H2' DT 10 -8.512 -29.302 17.519 276 H2'' DT 10 H2'' DT 10 -7.822 -29.659 19.135 277 H1' DT 10 H1' DT 10 -7.481 -27.299 19.540 278 H3 DT 10 H3 DT 10 -11.470 -25.647 20.673 279 H71 DT 10 H71 DT 10 -12.453 -28.185 16.197 280 H72 DT 10 H72 DT 10 -13.401 -26.741 16.623 281 H73 DT 10 H73 DT 10 -11.989 -26.593 15.550 282 H6 DT 10 H6 DT 10 -9.835 -27.762 16.680 283 H5' DG 11 H5' DG 11 -2.455 -28.459 15.386 284 H5'' DG 11 H5'' DG 11 -2.306 -30.080 16.093 285 H4' DG 11 H4' DG 11 -0.861 -29.181 17.871 286 H3' DG 11 H3' DG 11 -1.796 -26.593 16.961 287 H2' DG 11 H2' DG 11 -0.023 -26.165 15.553 288 H2'' DG 11 H2'' DG 11 0.964 -25.935 17.029 289 H1' DG 11 H1' DG 11 1.737 -28.156 16.981 290 H8 DG 11 H8 DG 11 0.830 -29.405 13.696 291 H1 DG 11 H1 DG 11 5.588 -25.129 13.223 292 H21 DG 11 H21 DG 11 5.785 -24.002 15.126 293 H22 DG 11 H22 DG 11 4.750 -24.298 16.504 294 H5' DG 12 H5' DG 12 1.923 -25.316 19.746 295 H5'' DG 12 H5'' DG 12 1.003 -24.221 20.797 296 H4' DG 12 H4' DG 12 3.064 -23.163 19.946 297 H3' DG 12 H3' DG 12 0.422 -22.006 19.640 298 H2' DG 12 H2' DG 12 0.597 -21.655 17.360 299 H2'' DG 12 H2'' DG 12 1.599 -20.300 17.968 300 H1' DG 12 H1' DG 12 3.617 -21.702 17.542 301 H8 DG 12 H8 DG 12 0.853 -23.729 15.638 302 H1 DG 12 H1 DG 12 5.320 -20.950 11.965 303 H21 DG 12 H21 DG 12 6.717 -19.770 13.224 304 H22 DG 12 H22 DG 12 6.554 -19.666 14.963 305 H5' DG 13 H5' DG 13 4.511 -19.332 19.594 306 H5'' DG 13 H5'' DG 13 4.023 -17.979 20.635 307 H4' DG 13 H4' DG 13 5.630 -17.260 18.914 308 H3' DG 13 H3' DG 13 3.148 -15.963 19.399 309 H2' DG 13 H2' DG 13 2.224 -16.448 17.304 310 H2'' DG 13 H2'' DG 13 3.157 -14.999 16.811 311 H1' DG 13 H1' DG 13 4.996 -16.364 16.092 312 H8 DG 13 H8 DG 13 1.789 -18.612 16.145 313 H1 DG 13 H1 DG 13 4.428 -17.617 10.385 314 H21 DG 13 H21 DG 13 6.218 -16.317 10.583 315 H22 DG 13 H22 DG 13 6.763 -15.698 12.126 316 H5' DT 14 H5' DT 14 6.575 -15.818 22.493 317 H5'' DT 14 H5'' DT 14 7.737 -14.672 21.795 318 H4' DT 14 H4' DT 14 9.088 -16.521 20.934 319 H3' DT 14 H3' DT 14 6.759 -18.141 21.336 320 H2' DT 14 H2' DT 14 7.244 -18.748 23.524 321 H2'' DT 14 H2'' DT 14 8.405 -19.889 22.775 322 H1' DT 14 H1' DT 14 10.201 -18.360 23.038 323 H3 DT 14 H3 DT 14 11.289 -18.827 27.344 324 H71 DT 14 H71 DT 14 6.271 -17.336 27.552 325 H72 DT 14 H72 DT 14 7.396 -16.841 28.839 326 H73 DT 14 H73 DT 14 7.060 -15.742 27.479 327 H6 DT 14 H6 DT 14 7.422 -17.024 25.133 328 H5' DG 15 H5' DG 15 9.278 -20.431 18.284 329 H5'' DG 15 H5'' DG 15 10.883 -21.122 18.594 330 H4' DG 15 H4' DG 15 11.835 -19.744 16.791 331 H3' DG 15 H3' DG 15 9.568 -18.110 17.005 332 H2' DG 15 H2' DG 15 8.128 -19.614 15.884 333 H2'' DG 15 H2'' DG 15 8.703 -18.978 14.308 334 H1' DG 15 H1' DG 15 10.441 -20.302 14.054 335 H8 DG 15 H8 DG 15 7.920 -22.387 16.177 336 H1 DG 15 H1 DG 15 7.893 -23.532 9.864 337 H21 DG 15 H21 DG 15 9.293 -22.152 8.837 338 H22 DG 15 H22 DG 15 10.229 -20.951 9.698 339 H5' DG 16 H5' DG 16 13.009 -17.516 12.914 340 H5'' DG 16 H5'' DG 16 13.504 -15.814 12.879 341 H4' DG 16 H4' DG 16 12.909 -16.393 10.646 342 H3' DG 16 H3' DG 16 11.311 -14.437 12.032 343 H2' DG 16 H2' DG 16 9.284 -15.518 11.702 344 H2'' DG 16 H2'' DG 16 9.415 -14.874 10.035 345 H1' DG 16 H1' DG 16 10.385 -16.920 9.259 346 H8 DG 16 H8 DG 16 8.488 -17.590 12.618 347 H1 DG 16 H1 DG 16 6.396 -20.871 7.522 348 H21 DG 16 H21 DG 16 7.619 -20.369 5.738 349 H22 DG 16 H22 DG 16 8.948 -19.233 5.800 350 H5' DG 17 H5' DG 17 11.440 -15.262 7.363 351 H5'' DG 17 H5'' DG 17 11.568 -13.646 6.639 352 H4' DG 17 H4' DG 17 10.415 -15.215 5.136 353 H3' DG 17 H3' DG 17 9.325 -12.679 5.917 354 H2' DG 17 H2' DG 17 7.388 -13.554 6.868 355 H2'' DG 17 H2'' DG 17 7.010 -13.464 5.119 356 H1' DG 17 H1' DG 17 7.561 -15.938 5.008 357 H8 DG 17 H8 DG 17 7.245 -15.272 8.863 358 H1 DG 17 H1 DG 17 2.896 -19.252 6.332 359 H21 DG 17 H21 DG 17 3.208 -19.429 4.141 360 H22 DG 17 H22 DG 17 4.481 -18.573 3.301 361 H5' DT 18 H5' DT 18 7.686 -15.098 2.056 362 H5'' DT 18 H5'' DT 18 7.720 -13.815 0.829 363 H4' DT 18 H4' DT 18 5.956 -15.448 0.344 364 H3' DT 18 H3' DT 18 5.519 -12.673 0.435 365 HO3' DT 18 HO3' DT 18 5.025 -14.165 -1.293 366 H2' DT 18 H2' DT 18 4.283 -12.720 2.420 367 H2'' DT 18 H2'' DT 18 2.969 -12.928 1.218 368 H1' DT 18 H1' DT 18 3.104 -15.361 1.509 369 H3 DT 18 H3 DT 18 0.808 -16.322 5.213 370 H71 DT 18 H71 DT 18 3.467 -13.675 7.907 371 H72 DT 18 H72 DT 18 5.022 -13.818 7.054 372 H73 DT 18 H73 DT 18 3.959 -12.426 6.738 373 H6 DT 18 H6 DT 18 4.656 -13.563 4.395 Start of MODEL 2 1 H1 SER 1 HT1 SER 1 11.392 -35.736 21.068 2 H2 SER 1 HT2 SER 1 12.533 -36.529 22.046 3 H3 SER 1 HT3 SER 1 10.971 -36.221 22.638 4 HA SER 1 HA SER 1 11.896 -38.293 20.800 5 HB2 SER 1 HB3 SER 1 10.842 -38.213 23.357 6 HB3 SER 1 HB2 SER 1 9.444 -38.645 22.376 7 HG SER 1 HG SER 1 10.884 -40.405 23.135 8 H MET 2 H MET 2 8.905 -36.482 21.540 9 HA MET 2 HA MET 2 8.130 -36.749 18.707 10 HB2 MET 2 HB3 MET 2 6.481 -37.458 21.128 11 HB3 MET 2 HB2 MET 2 5.736 -37.048 19.583 12 HG2 MET 2 HG3 MET 2 7.923 -38.946 19.251 13 HG3 MET 2 HG2 MET 2 6.681 -39.566 20.339 14 HE1 MET 2 HE1 MET 2 7.845 -39.379 16.864 15 HE2 MET 2 HE2 MET 2 6.582 -40.418 16.210 16 HE3 MET 2 HE3 MET 2 7.445 -40.902 17.669 17 H HIS 3 H HIS 3 6.342 -35.222 18.137 18 HA HIS 3 HA HIS 3 5.727 -33.014 17.887 19 HB2 HIS 3 HB3 HIS 3 5.476 -33.379 20.880 20 HB3 HIS 3 HB2 HIS 3 4.857 -31.978 20.003 21 HD2 HIS 3 HD2 HIS 3 2.235 -33.114 20.853 22 HE1 HIS 3 HE1 HIS 3 2.302 -36.034 17.805 23 HE2 HIS 3 HE2 HIS 3 0.837 -34.876 19.526 24 HA PRO 4 HA PRO 4 10.140 -31.688 18.776 25 HB2 PRO 4 HB3 PRO 4 9.347 -30.169 16.324 26 HB3 PRO 4 HB2 PRO 4 10.878 -30.982 16.701 27 HG2 PRO 4 HG3 PRO 4 9.086 -32.045 15.028 28 HG3 PRO 4 HG2 PRO 4 10.092 -33.042 16.090 29 HD2 PRO 4 HD3 PRO 4 7.188 -32.451 16.277 30 HD3 PRO 4 HD2 PRO 4 8.102 -33.836 16.912 31 H GLY 5 H GLY 5 8.036 -29.311 17.165 32 HA2 GLY 5 HA3 GLY 5 7.164 -27.298 17.885 33 HA3 GLY 5 HA2 GLY 5 7.481 -27.810 19.539 34 H HIS 6 H HIS 6 10.321 -28.303 19.058 35 HA HIS 6 HA HIS 6 11.227 -25.517 19.215 36 HB2 HIS 6 HB3 HIS 6 13.195 -27.650 19.681 37 HB3 HIS 6 HB2 HIS 6 12.797 -26.245 20.671 38 HD2 HIS 6 HD2 HIS 6 10.298 -26.658 22.235 39 HE1 HIS 6 HE1 HIS 6 10.723 -30.858 22.176 40 HE2 HIS 6 HE2 HIS 6 9.499 -28.919 23.267 41 H LEU 7 H LEU 7 10.794 -27.646 16.818 42 HA LEU 7 HA LEU 7 13.367 -27.398 15.490 43 HB2 LEU 7 HB3 LEU 7 10.854 -28.886 15.056 44 HB3 LEU 7 HB2 LEU 7 11.681 -28.367 13.587 45 HG LEU 7 HG LEU 7 13.703 -29.487 14.222 46 HD11 LEU 7 HD11 LEU 7 12.440 -29.385 16.898 47 HD12 LEU 7 HD12 LEU 7 14.144 -29.296 16.454 48 HD13 LEU 7 HD13 LEU 7 13.337 -30.862 16.545 49 HD21 LEU 7 HD21 LEU 7 12.420 -31.171 13.294 50 HD22 LEU 7 HD22 LEU 7 11.142 -31.002 14.498 51 HD23 LEU 7 HD23 LEU 7 12.636 -31.843 14.911 52 H LYS 8 H LYS 8 13.345 -26.633 13.152 53 HA LYS 8 HA LYS 8 11.468 -24.427 12.675 54 HB2 LYS 8 HB3 LYS 8 13.544 -23.573 13.878 55 HB3 LYS 8 HB2 LYS 8 14.450 -24.016 12.432 56 HG2 LYS 8 HG3 LYS 8 11.975 -22.380 12.074 57 HG3 LYS 8 HG2 LYS 8 13.406 -21.576 12.719 58 HD2 LYS 8 HD3 LYS 8 14.705 -22.566 10.774 59 HD3 LYS 8 HD2 LYS 8 13.154 -23.058 10.091 60 HE2 LYS 8 HE3 LYS 8 13.156 -21.002 9.124 61 HE3 LYS 8 HE2 LYS 8 12.675 -20.427 10.722 62 HZ1 LYS 8 HZ1 LYS 8 15.515 -20.830 10.388 63 HZ2 LYS 8 HZ2 LYS 8 14.675 -19.533 11.093 64 HZ3 LYS 8 HZ3 LYS 8 14.866 -19.610 9.407 65 H GLY 9 H GLY 9 10.823 -24.389 10.616 66 HA2 GLY 9 HA3 GLY 9 11.156 -24.422 8.264 67 HA3 GLY 9 HA2 GLY 9 12.606 -25.389 8.507 68 H ARG 10 H ARG 10 10.933 -26.233 6.594 69 HA ARG 10 HA ARG 10 8.771 -27.772 6.912 70 HB2 ARG 10 HB3 ARG 10 11.242 -28.869 5.557 71 HB3 ARG 10 HB2 ARG 10 9.560 -29.246 5.186 72 HG2 ARG 10 HG3 ARG 10 9.307 -26.698 4.754 73 HG3 ARG 10 HG2 ARG 10 11.069 -26.684 4.678 74 HD2 ARG 10 HD3 ARG 10 9.511 -28.692 3.069 75 HD3 ARG 10 HD2 ARG 10 9.706 -27.047 2.475 76 HE ARG 10 HE ARG 10 12.039 -27.433 2.270 77 HH11 ARG 10 HH21 ARG 10 10.273 -30.132 3.530 78 HH12 ARG 10 HH22 ARG 10 11.551 -31.269 3.257 79 HH21 ARG 10 HH11 ARG 10 13.717 -28.920 1.912 80 HH22 ARG 10 HH12 ARG 10 13.499 -30.584 2.343 81 H GLU 11 H GLU 11 11.847 -28.358 8.411 82 HA GLU 11 HA GLU 11 11.907 -30.995 9.049 83 HB2 GLU 11 HB3 GLU 11 12.738 -28.529 10.420 84 HB3 GLU 11 HB2 GLU 11 12.493 -29.907 11.492 85 HG2 GLU 11 HG3 GLU 11 14.061 -30.207 8.939 86 HG3 GLU 11 HG2 GLU 11 14.834 -29.603 10.403 87 H ILE 12 H ILE 12 10.007 -28.546 10.821 88 HA ILE 12 HA ILE 12 8.652 -30.615 12.351 89 HB ILE 12 HB ILE 12 9.234 -28.513 13.456 90 HG12 ILE 12 HG13 ILE 12 6.233 -28.646 13.045 91 HG13 ILE 12 HG12 ILE 12 7.123 -29.791 14.049 92 HG21 ILE 12 HG21 ILE 12 8.438 -27.378 11.014 93 HG22 ILE 12 HG22 ILE 12 8.940 -26.510 12.465 94 HG23 ILE 12 HG23 ILE 12 7.230 -26.839 12.182 95 HD11 ILE 12 HD11 ILE 12 7.932 -27.967 15.466 96 HD12 ILE 12 HD12 ILE 12 6.171 -27.919 15.383 97 HD13 ILE 12 HD13 ILE 12 7.130 -26.782 14.435 98 H GLY 13 H GLY 13 8.092 -28.647 9.537 99 HA2 GLY 13 HA3 GLY 13 5.246 -28.968 9.455 100 HA3 GLY 13 HA2 GLY 13 6.271 -28.411 8.136 101 H MET 14 H MET 14 7.808 -31.092 8.894 102 HA MET 14 HA MET 14 6.179 -32.758 7.078 103 HB2 MET 14 HB3 MET 14 9.157 -32.807 7.620 104 HB3 MET 14 HB2 MET 14 8.303 -33.912 6.542 105 HG2 MET 14 HG3 MET 14 8.370 -30.894 6.249 106 HG3 MET 14 HG2 MET 14 9.319 -32.030 5.290 107 HE1 MET 14 HE1 MET 14 5.575 -30.290 4.058 108 HE2 MET 14 HE2 MET 14 7.201 -29.734 4.444 109 HE3 MET 14 HE3 MET 14 6.089 -30.149 5.744 110 H TRP 15 H TRP 15 8.394 -32.998 9.866 111 HA TRP 15 HA TRP 15 8.359 -35.516 10.663 112 HB2 TRP 15 HB3 TRP 15 8.170 -32.992 12.117 113 HB3 TRP 15 HB2 TRP 15 7.467 -34.336 13.015 114 HD1 TRP 15 HD1 TRP 15 10.682 -33.729 10.933 115 HE1 TRP 15 HE1 TRP 15 12.642 -34.890 12.141 116 HE3 TRP 15 HE2 TRP 15 8.190 -35.786 14.890 117 HZ2 TRP 15 HZ2 TRP 15 13.093 -36.480 14.475 118 HZ3 TRP 15 HZ3 TRP 15 9.408 -37.118 16.588 119 HH2 TRP 15 HH2 TRP 15 11.855 -37.467 16.385 120 H TYR 16 H TYR 16 5.557 -33.426 11.428 121 HA TYR 16 HA TYR 16 3.739 -35.627 10.878 122 HB2 TYR 16 HB3 TYR 16 2.834 -35.860 13.033 123 HB3 TYR 16 HB2 TYR 16 4.575 -35.813 13.315 124 HD1 TYR 16 HD2 TYR 16 5.587 -33.380 13.649 125 HD2 TYR 16 HD1 TYR 16 1.468 -34.430 14.268 126 HE1 TYR 16 HE2 TYR 16 5.299 -31.393 15.104 127 HE2 TYR 16 HE1 TYR 16 1.180 -32.444 15.724 128 HH TYR 16 HH TYR 16 2.223 -30.774 16.781 129 H ALA 17 H ALA 17 4.398 -32.301 11.624 130 HA ALA 17 HA ALA 17 3.200 -30.365 11.303 131 HB1 ALA 17 HB1 ALA 17 2.413 -32.196 9.118 132 HB2 ALA 17 HB2 ALA 17 3.037 -30.548 9.043 133 HB3 ALA 17 HB3 ALA 17 1.333 -30.830 9.393 134 H LYS 18 H LYS 18 0.820 -29.506 11.106 135 HA LYS 18 HA LYS 18 -0.548 -30.327 13.455 136 HB2 LYS 18 HB3 LYS 18 -0.683 -28.172 11.597 137 HB3 LYS 18 HB2 LYS 18 -2.299 -28.868 11.726 138 HG2 LYS 18 HG3 LYS 18 -2.055 -28.764 14.233 139 HG3 LYS 18 HG2 LYS 18 -0.558 -27.864 13.993 140 HD2 LYS 18 HD3 LYS 18 -1.906 -26.231 12.582 141 HD3 LYS 18 HD2 LYS 18 -3.352 -27.051 13.169 142 HE2 LYS 18 HE3 LYS 18 -3.118 -25.319 14.722 143 HE3 LYS 18 HE2 LYS 18 -2.297 -26.652 15.534 144 HZ1 LYS 18 HZ1 LYS 18 -1.027 -24.488 13.947 145 HZ2 LYS 18 HZ2 LYS 18 -0.198 -25.828 14.584 146 HZ3 LYS 18 HZ3 LYS 18 -0.929 -24.705 15.627 147 H LYS 19 H LYS 19 -0.510 -31.562 10.301 148 HA LYS 19 HA LYS 19 -3.057 -32.395 9.729 149 HB2 LYS 19 HB3 LYS 19 -0.844 -32.884 8.487 150 HB3 LYS 19 HB2 LYS 19 -0.744 -34.311 9.518 151 HG2 LYS 19 HG3 LYS 19 -2.801 -35.185 8.674 152 HG3 LYS 19 HG2 LYS 19 -3.205 -33.660 7.886 153 HD2 LYS 19 HD3 LYS 19 -0.734 -35.241 7.157 154 HD3 LYS 19 HD2 LYS 19 -2.289 -35.508 6.367 155 HE2 LYS 19 HE3 LYS 19 -2.255 -32.895 6.052 156 HE3 LYS 19 HE2 LYS 19 -0.517 -33.085 6.283 157 HZ1 LYS 19 HZ1 LYS 19 -0.348 -33.791 4.206 158 HZ2 LYS 19 HZ2 LYS 19 -2.021 -33.590 3.982 159 HZ3 LYS 19 HZ3 LYS 19 -1.407 -35.078 4.527 160 H GLN 20 H GLN 20 -0.807 -33.794 12.068 161 HA GLN 20 HA GLN 20 -1.102 -35.299 13.771 162 HB2 GLN 20 HB3 GLN 20 -2.579 -33.887 14.866 163 HB3 GLN 20 HB2 GLN 20 -3.761 -33.939 13.559 164 HG2 GLN 20 HG3 GLN 20 -4.443 -35.222 15.621 165 HG3 GLN 20 HG2 GLN 20 -4.419 -36.184 14.144 166 HE21 GLN 20 HE21 GLN 20 -4.147 -38.070 15.711 167 HE22 GLN 20 HE22 GLN 20 -2.584 -38.426 16.269 168 H5' DT 1 H5' DT 1 22.060 -15.177 -1.141 169 H5'' DT 1 H5'' DT 1 23.527 -15.296 -0.153 170 H4' DT 1 H4' DT 1 22.904 -17.032 -2.563 171 H3' DT 1 H3' DT 1 21.955 -17.356 0.100 172 H2' DT 1 H2' DT 1 24.004 -18.066 0.984 173 H2'' DT 1 H2'' DT 1 23.527 -19.666 0.330 174 H1' DT 1 H1' DT 1 24.699 -19.294 -1.694 175 H3 DT 1 H3 DT 1 28.903 -20.367 -0.638 176 H71 DT 1 H71 DT 1 27.636 -16.811 2.994 177 H72 DT 1 H72 DT 1 29.317 -16.938 2.428 178 H73 DT 1 H73 DT 1 28.223 -15.734 1.705 179 H6 DT 1 H6 DT 1 25.933 -16.919 0.907 180 HO5' DT 1 HO5' DT 1 23.657 -13.664 -1.752 181 H5' DT 2 H5' DT 2 18.440 -17.901 1.228 182 H5'' DT 2 H5'' DT 2 19.977 -18.604 1.770 183 H4' DT 2 H4' DT 2 17.569 -20.179 0.796 184 H3' DT 2 H3' DT 2 18.066 -19.099 3.417 185 H2' DT 2 H2' DT 2 19.513 -20.792 4.085 186 H2'' DT 2 H2'' DT 2 18.003 -21.729 4.322 187 H1' DT 2 H1' DT 2 18.199 -22.695 2.135 188 H3 DT 2 H3 DT 2 21.170 -25.967 2.799 189 H71 DT 2 H71 DT 2 23.825 -21.665 4.179 190 H72 DT 2 H72 DT 2 24.682 -23.036 3.436 191 H73 DT 2 H73 DT 2 24.140 -21.672 2.428 192 H6 DT 2 H6 DT 2 21.522 -21.174 2.869 193 H5' DG 3 H5' DG 3 13.289 -20.420 3.761 194 H5'' DG 3 H5'' DG 3 14.142 -21.825 3.093 195 H4' DG 3 H4' DG 3 12.384 -22.091 1.391 196 H3' DG 3 H3' DG 3 11.605 -19.431 2.069 197 H2' DG 3 H2' DG 3 10.217 -20.021 3.844 198 H2'' DG 3 H2'' DG 3 9.079 -20.332 2.495 199 H1' DG 3 H1' DG 3 9.649 -22.698 2.560 200 H8 DG 3 H8 DG 3 10.879 -21.192 5.960 201 H1 DG 3 H1 DG 3 6.270 -25.634 6.355 202 H21 DG 3 H21 DG 3 5.714 -26.335 4.321 203 H22 DG 3 H22 DG 3 6.475 -25.713 2.874 204 H5' DG 4 H5' DG 4 8.466 -22.244 -0.429 205 H5'' DG 4 H5'' DG 4 7.817 -21.099 -1.620 206 H4' DG 4 H4' DG 4 6.095 -22.691 -0.876 207 H3' DG 4 H3' DG 4 5.779 -19.808 -0.667 208 H2' DG 4 H2' DG 4 5.094 -19.809 1.536 209 H2'' DG 4 H2'' DG 4 3.560 -20.547 0.981 210 H1' DG 4 H1' DG 4 4.318 -22.722 1.385 211 H8 DG 4 H8 DG 4 6.723 -20.395 3.415 212 H1 DG 4 H1 DG 4 2.875 -24.161 6.897 213 H21 DG 4 H21 DG 4 1.576 -25.367 5.562 214 H22 DG 4 H22 DG 4 1.653 -25.247 3.818 215 H5' DG 5 H5' DG 5 2.338 -22.970 -0.604 216 H5'' DG 5 H5'' DG 5 1.237 -22.419 -1.885 217 H4' DG 5 H4' DG 5 0.059 -23.688 -0.117 218 H3' DG 5 H3' DG 5 -0.779 -21.166 -1.118 219 H2' DG 5 H2' DG 5 -0.467 -20.005 0.891 220 H2'' DG 5 H2'' DG 5 -2.099 -20.664 1.232 221 H1' DG 5 H1' DG 5 -1.134 -22.530 2.422 222 H8 DG 5 H8 DG 5 1.528 -19.654 2.321 223 H1 DG 5 H1 DG 5 -0.567 -21.363 8.138 224 H21 DG 5 H21 DG 5 -2.062 -22.997 7.955 225 H22 DG 5 H22 DG 5 -2.541 -23.662 6.410 226 H5' DT 6 H5' DT 6 -2.204 -25.174 0.866 227 H5'' DT 6 H5'' DT 6 -0.567 -25.859 0.928 228 H4' DT 6 H4' DT 6 -2.324 -27.599 0.716 229 H3' DT 6 H3' DT 6 -0.034 -27.366 -1.066 230 H2' DT 6 H2' DT 6 -1.269 -27.495 -3.017 231 H2'' DT 6 H2'' DT 6 -1.531 -29.225 -2.633 232 H1' DT 6 H1' DT 6 -3.564 -28.790 -1.538 233 H3 DT 6 H3 DT 6 -6.468 -28.363 -4.901 234 H71 DT 6 H71 DT 6 -3.884 -23.809 -4.953 235 H72 DT 6 H72 DT 6 -2.825 -24.766 -6.017 236 H73 DT 6 H73 DT 6 -4.521 -24.481 -6.474 237 H6 DT 6 H6 DT 6 -2.681 -25.750 -3.513 238 H5' DG 7 H5' DG 7 1.829 -29.516 1.210 239 H5'' DG 7 H5'' DG 7 2.509 -31.141 1.427 240 H4' DG 7 H4' DG 7 0.773 -31.594 3.157 241 H3' DG 7 H3' DG 7 -0.409 -29.140 2.225 242 H2' DG 7 H2' DG 7 0.734 -27.743 3.670 243 H2'' DG 7 H2'' DG 7 -0.617 -28.441 4.618 244 H1' DG 7 H1' DG 7 1.169 -30.000 5.631 245 H8 DG 7 H8 DG 7 3.683 -27.909 3.553 246 H1 DG 7 H1 DG 7 3.847 -26.897 9.885 247 H21 DG 7 H21 DG 7 2.201 -28.010 10.876 248 H22 DG 7 H22 DG 7 1.066 -28.998 9.982 249 H5' DG 8 H5' DG 8 -2.624 -30.760 6.436 250 H5'' DG 8 H5'' DG 8 -4.273 -30.193 6.106 251 H4' DG 8 H4' DG 8 -3.502 -29.720 8.435 252 H3' DG 8 H3' DG 8 -4.590 -27.700 6.604 253 H2' DG 8 H2' DG 8 -3.053 -26.078 7.144 254 H2'' DG 8 H2'' DG 8 -3.743 -26.032 8.796 255 H1' DG 8 H1' DG 8 -2.185 -27.564 9.620 256 H8 DG 8 H8 DG 8 -0.560 -26.534 6.216 257 H1 DG 8 H1 DG 8 2.350 -24.325 11.487 258 H21 DG 8 H21 DG 8 1.222 -24.946 13.296 259 H22 DG 8 H22 DG 8 -0.241 -25.899 13.208 260 H5' DG 9 H5' DG 9 -5.036 -27.584 11.358 261 H5'' DG 9 H5'' DG 9 -6.768 -27.255 11.562 262 H4' DG 9 H4' DG 9 -5.416 -26.349 13.426 263 H3' DG 9 H3' DG 9 -7.373 -24.876 11.991 264 H2' DG 9 H2' DG 9 -5.900 -23.309 11.085 265 H2'' DG 9 H2'' DG 9 -6.146 -22.557 12.694 266 H1' DG 9 H1' DG 9 -4.091 -23.576 13.496 267 H8 DG 9 H8 DG 9 -3.997 -23.635 9.572 268 H1 DG 9 H1 DG 9 0.654 -20.277 12.442 269 H21 DG 9 H21 DG 9 0.426 -20.387 14.646 270 H22 DG 9 H22 DG 9 -0.865 -21.283 15.414 271 H5' DT 10 H5' DT 10 -6.067 -25.342 16.785 272 H5'' DT 10 H5'' DT 10 -4.655 -26.136 16.060 273 H4' DT 10 H4' DT 10 -5.146 -26.946 18.357 274 H3' DT 10 H3' DT 10 -4.701 -28.643 16.085 275 H2' DT 10 H2' DT 10 -6.767 -29.718 16.207 276 H2'' DT 10 H2'' DT 10 -6.035 -30.664 17.541 277 H1' DT 10 H1' DT 10 -6.858 -29.182 19.184 278 H3 DT 10 H3 DT 10 -11.075 -30.519 19.779 279 H71 DT 10 H71 DT 10 -11.222 -28.155 15.109 280 H72 DT 10 H72 DT 10 -10.770 -29.799 14.598 281 H73 DT 10 H73 DT 10 -12.313 -29.522 15.442 282 H6 DT 10 H6 DT 10 -8.732 -28.715 15.990 283 H5' DG 11 H5' DG 11 -1.546 -29.459 16.251 284 H5'' DG 11 H5'' DG 11 -0.727 -30.985 16.639 285 H4' DG 11 H4' DG 11 0.771 -29.728 18.198 286 H3' DG 11 H3' DG 11 -1.012 -27.490 17.558 287 H2' DG 11 H2' DG 11 0.391 -26.538 16.007 288 H2'' DG 11 H2'' DG 11 1.563 -26.188 17.315 289 H1' DG 11 H1' DG 11 2.743 -28.158 16.977 290 H8 DG 11 H8 DG 11 1.256 -29.105 13.684 291 H1 DG 11 H1 DG 11 5.884 -24.701 13.116 292 H21 DG 11 H21 DG 11 6.395 -23.872 15.110 293 H22 DG 11 H22 DG 11 5.600 -24.398 16.577 294 H5' DG 12 H5' DG 12 2.728 -25.650 20.048 295 H5'' DG 12 H5'' DG 12 1.798 -24.621 21.156 296 H4' DG 12 H4' DG 12 3.653 -23.374 20.133 297 H3' DG 12 H3' DG 12 0.849 -22.546 19.799 298 H2' DG 12 H2' DG 12 1.075 -21.942 17.596 299 H2'' DG 12 H2'' DG 12 2.216 -20.659 18.104 300 H1' DG 12 H1' DG 12 4.085 -22.022 17.748 301 H8 DG 12 H8 DG 12 1.314 -24.115 15.931 302 H1 DG 12 H1 DG 12 5.573 -21.200 12.118 303 H21 DG 12 H21 DG 12 6.974 -19.979 13.331 304 H22 DG 12 H22 DG 12 6.867 -19.881 15.075 305 H5' DG 13 H5' DG 13 4.454 -19.613 19.730 306 H5'' DG 13 H5'' DG 13 4.028 -18.275 20.815 307 H4' DG 13 H4' DG 13 5.417 -17.515 18.924 308 H3' DG 13 H3' DG 13 2.862 -16.350 19.608 309 H2' DG 13 H2' DG 13 1.934 -16.592 17.497 310 H2'' DG 13 H2'' DG 13 2.974 -15.201 17.054 311 H1' DG 13 H1' DG 13 4.695 -16.656 16.266 312 H8 DG 13 H8 DG 13 1.393 -18.767 16.320 313 H1 DG 13 H1 DG 13 3.990 -17.716 10.547 314 H21 DG 13 H21 DG 13 5.830 -16.483 10.761 315 H22 DG 13 H22 DG 13 6.410 -15.925 12.313 316 H5' DT 14 H5' DT 14 7.683 -16.632 19.139 317 H5'' DT 14 H5'' DT 14 7.051 -15.879 20.616 318 H4' DT 14 H4' DT 14 9.622 -15.065 19.217 319 H3' DT 14 H3' DT 14 9.182 -17.264 21.055 320 H2' DT 14 H2' DT 14 9.417 -15.992 22.976 321 H2'' DT 14 H2'' DT 14 11.164 -16.025 22.581 322 H1' DT 14 H1' DT 14 10.996 -13.916 21.447 323 H3 DT 14 H3 DT 14 10.865 -10.796 24.638 324 H71 DT 14 H71 DT 14 6.935 -12.401 26.456 325 H72 DT 14 H72 DT 14 6.158 -13.060 24.996 326 H73 DT 14 H73 DT 14 7.089 -14.132 26.069 327 H6 DT 14 H6 DT 14 7.949 -14.453 23.535 328 H5' DG 15 H5' DG 15 8.894 -19.989 17.797 329 H5'' DG 15 H5'' DG 15 10.281 -20.639 18.693 330 H4' DG 15 H4' DG 15 11.833 -19.612 17.131 331 H3' DG 15 H3' DG 15 9.789 -17.800 16.481 332 H2' DG 15 H2' DG 15 8.633 -19.192 15.001 333 H2'' DG 15 H2'' DG 15 9.846 -18.471 13.897 334 H1' DG 15 H1' DG 15 11.207 -20.489 14.102 335 H8 DG 15 H8 DG 15 8.381 -22.287 15.947 336 H1 DG 15 H1 DG 15 8.422 -23.280 9.610 337 H21 DG 15 H21 DG 15 9.892 -21.927 8.639 338 H22 DG 15 H22 DG 15 10.859 -20.785 9.543 339 H5' DG 16 H5' DG 16 12.905 -17.133 12.752 340 H5'' DG 16 H5'' DG 16 12.944 -15.358 12.777 341 H4' DG 16 H4' DG 16 12.547 -16.204 10.506 342 H3' DG 16 H3' DG 16 10.801 -14.320 11.811 343 H2' DG 16 H2' DG 16 8.873 -15.596 11.578 344 H2'' DG 16 H2'' DG 16 8.916 -15.012 9.883 345 H1' DG 16 H1' DG 16 10.065 -16.998 9.177 346 H8 DG 16 H8 DG 16 8.261 -17.706 12.582 347 H1 DG 16 H1 DG 16 6.442 -21.333 7.612 348 H21 DG 16 H21 DG 16 7.612 -20.781 5.806 349 H22 DG 16 H22 DG 16 8.833 -19.528 5.825 350 H5' DG 17 H5' DG 17 10.461 -13.995 6.674 351 H5'' DG 17 H5'' DG 17 10.448 -12.219 6.706 352 H4' DG 17 H4' DG 17 8.838 -13.068 5.063 353 H3' DG 17 H3' DG 17 8.083 -11.323 7.242 354 H2' DG 17 H2' DG 17 6.355 -12.624 8.031 355 H2'' DG 17 H2'' DG 17 5.379 -12.281 6.570 356 H1' DG 17 H1' DG 17 6.065 -14.049 5.388 357 H8 DG 17 H8 DG 17 6.361 -14.466 9.266 358 H1 DG 17 H1 DG 17 2.924 -18.959 6.247 359 H21 DG 17 H21 DG 17 3.007 -18.641 4.051 360 H22 DG 17 H22 DG 17 3.905 -17.326 3.327 361 H5' DT 18 H5' DT 18 9.755 -11.505 3.539 362 H5'' DT 18 H5'' DT 18 8.784 -11.281 2.070 363 H4' DT 18 H4' DT 18 10.851 -12.422 1.506 364 H3' DT 18 H3' DT 18 8.341 -13.461 0.822 365 HO3' DT 18 HO3' DT 18 10.927 -14.371 -0.001 366 H2' DT 18 H2' DT 18 8.404 -15.186 2.412 367 H2'' DT 18 H2'' DT 18 9.188 -16.095 1.080 368 H1' DT 18 H1' DT 18 11.363 -15.457 1.811 369 H3 DT 18 H3 DT 18 12.336 -18.571 4.850 370 H71 DT 18 H71 DT 18 8.724 -17.522 7.522 371 H72 DT 18 H72 DT 18 8.592 -15.777 7.208 372 H73 DT 18 H73 DT 18 7.580 -16.924 6.298 373 H6 DT 18 H6 DT 18 8.831 -15.293 4.559 Start of MODEL 3 1 H1 SER 1 HT1 SER 1 14.100 -34.115 23.656 2 H2 SER 1 HT2 SER 1 12.798 -33.900 22.587 3 H3 SER 1 HT3 SER 1 12.959 -32.894 23.947 4 HA SER 1 HA SER 1 13.792 -31.505 22.370 5 HB2 SER 1 HB3 SER 1 15.543 -32.112 24.115 6 HB3 SER 1 HB2 SER 1 16.244 -33.195 22.916 7 HG SER 1 HG SER 1 16.951 -30.834 23.115 8 H MET 2 H MET 2 13.664 -34.759 21.530 9 HA MET 2 HA MET 2 14.965 -34.412 18.929 10 HB2 MET 2 HB3 MET 2 15.052 -36.531 20.485 11 HB3 MET 2 HB2 MET 2 13.501 -36.899 19.728 12 HG2 MET 2 HG3 MET 2 16.008 -36.237 18.161 13 HG3 MET 2 HG2 MET 2 15.499 -37.884 18.534 14 HE1 MET 2 HE1 MET 2 13.765 -38.710 15.476 15 HE2 MET 2 HE2 MET 2 14.194 -39.229 17.105 16 HE3 MET 2 HE3 MET 2 15.433 -38.558 16.048 17 H HIS 3 H HIS 3 11.764 -34.983 20.324 18 HA HIS 3 HA HIS 3 10.435 -35.150 17.782 19 HB2 HIS 3 HB3 HIS 3 8.699 -34.380 19.966 20 HB3 HIS 3 HB2 HIS 3 8.730 -35.882 19.042 21 HD2 HIS 3 HD2 HIS 3 10.953 -37.680 20.036 22 HE1 HIS 3 HE1 HIS 3 10.573 -36.156 23.954 23 HE2 HIS 3 HE2 HIS 3 11.547 -38.036 22.553 24 HA PRO 4 HA PRO 4 9.420 -31.070 16.569 25 HB2 PRO 4 HB3 PRO 4 6.610 -31.461 17.520 26 HB3 PRO 4 HB2 PRO 4 7.199 -30.897 15.944 27 HG2 PRO 4 HG3 PRO 4 6.275 -33.377 16.298 28 HG3 PRO 4 HG2 PRO 4 7.605 -33.018 15.184 29 HD2 PRO 4 HD3 PRO 4 7.689 -34.381 17.823 30 HD3 PRO 4 HD2 PRO 4 8.799 -34.523 16.442 31 H GLY 5 H GLY 5 8.236 -28.976 17.405 32 HA2 GLY 5 HA3 GLY 5 7.530 -27.672 19.295 33 HA3 GLY 5 HA2 GLY 5 8.355 -28.817 20.347 34 H HIS 6 H HIS 6 10.827 -29.026 19.207 35 HA HIS 6 HA HIS 6 11.898 -26.301 19.580 36 HB2 HIS 6 HB3 HIS 6 13.841 -28.480 19.614 37 HB3 HIS 6 HB2 HIS 6 13.548 -27.215 20.808 38 HD2 HIS 6 HD2 HIS 6 12.726 -28.400 23.151 39 HE1 HIS 6 HE1 HIS 6 10.532 -31.602 21.490 40 HE2 HIS 6 HE2 HIS 6 11.256 -30.497 23.659 41 H LEU 7 H LEU 7 10.908 -27.937 17.087 42 HA LEU 7 HA LEU 7 13.313 -27.870 15.434 43 HB2 LEU 7 HB3 LEU 7 10.563 -28.965 15.176 44 HB3 LEU 7 HB2 LEU 7 11.366 -28.471 13.685 45 HG LEU 7 HG LEU 7 13.295 -29.885 14.223 46 HD11 LEU 7 HD11 LEU 7 12.718 -31.538 16.245 47 HD12 LEU 7 HD12 LEU 7 11.821 -30.129 16.810 48 HD13 LEU 7 HD13 LEU 7 13.555 -30.008 16.513 49 HD21 LEU 7 HD21 LEU 7 11.058 -31.769 14.762 50 HD22 LEU 7 HD22 LEU 7 12.289 -31.815 13.498 51 HD23 LEU 7 HD23 LEU 7 10.889 -30.755 13.328 52 H LYS 8 H LYS 8 12.934 -26.904 13.152 53 HA LYS 8 HA LYS 8 11.240 -24.564 13.038 54 HB2 LYS 8 HB3 LYS 8 13.231 -23.813 14.387 55 HB3 LYS 8 HB2 LYS 8 14.234 -24.147 12.975 56 HG2 LYS 8 HG3 LYS 8 11.812 -22.492 12.501 57 HG3 LYS 8 HG2 LYS 8 13.107 -21.733 13.427 58 HD2 LYS 8 HD3 LYS 8 14.717 -22.376 11.630 59 HD3 LYS 8 HD2 LYS 8 13.367 -23.007 10.687 60 HE2 LYS 8 HE3 LYS 8 13.452 -20.869 9.821 61 HE3 LYS 8 HE2 LYS 8 12.369 -20.581 11.182 62 HZ1 LYS 8 HZ1 LYS 8 15.278 -20.371 11.559 63 HZ2 LYS 8 HZ2 LYS 8 14.026 -19.607 12.416 64 HZ3 LYS 8 HZ3 LYS 8 14.432 -19.082 10.852 65 H GLY 9 H GLY 9 10.669 -24.213 10.980 66 HA2 GLY 9 HA3 GLY 9 11.013 -23.978 8.657 67 HA3 GLY 9 HA2 GLY 9 12.500 -24.909 8.804 68 H ARG 10 H ARG 10 11.364 -25.860 6.811 69 HA ARG 10 HA ARG 10 9.106 -27.419 6.821 70 HB2 ARG 10 HB3 ARG 10 11.756 -28.058 5.504 71 HB3 ARG 10 HB2 ARG 10 10.211 -28.802 5.092 72 HG2 ARG 10 HG3 ARG 10 9.573 -26.141 4.975 73 HG3 ARG 10 HG2 ARG 10 11.246 -26.124 4.415 74 HD2 ARG 10 HD3 ARG 10 10.686 -27.907 2.775 75 HD3 ARG 10 HD2 ARG 10 9.007 -27.836 3.300 76 HE ARG 10 HE ARG 10 8.760 -25.871 2.080 77 HH11 ARG 10 HH21 ARG 10 12.099 -26.672 2.512 78 HH12 ARG 10 HH22 ARG 10 12.676 -25.447 1.432 79 HH21 ARG 10 HH11 ARG 10 9.510 -24.262 0.662 80 HH22 ARG 10 HH12 ARG 10 11.209 -24.082 0.385 81 H GLU 11 H GLU 11 11.757 -27.786 8.847 82 HA GLU 11 HA GLU 11 11.989 -30.576 9.113 83 HB2 GLU 11 HB3 GLU 11 12.310 -28.489 11.284 84 HB3 GLU 11 HB2 GLU 11 12.991 -30.117 11.280 85 HG2 GLU 11 HG3 GLU 11 14.062 -29.384 9.007 86 HG3 GLU 11 HG2 GLU 11 13.751 -27.749 9.589 87 H ILE 12 H ILE 12 9.879 -28.248 10.778 88 HA ILE 12 HA ILE 12 8.546 -30.378 12.247 89 HB ILE 12 HB ILE 12 8.976 -28.150 13.278 90 HG12 ILE 12 HG13 ILE 12 6.003 -28.602 12.979 91 HG13 ILE 12 HG12 ILE 12 7.025 -29.730 13.871 92 HG21 ILE 12 HG21 ILE 12 8.583 -26.830 11.196 93 HG22 ILE 12 HG22 ILE 12 7.641 -26.233 12.563 94 HG23 ILE 12 HG23 ILE 12 6.865 -27.208 11.315 95 HD11 ILE 12 HD11 ILE 12 7.286 -28.299 15.619 96 HD12 ILE 12 HD12 ILE 12 5.849 -27.510 14.970 97 HD13 ILE 12 HD13 ILE 12 7.451 -26.895 14.566 98 H GLY 13 H GLY 13 8.092 -28.491 9.365 99 HA2 GLY 13 HA3 GLY 13 5.274 -29.027 9.093 100 HA3 GLY 13 HA2 GLY 13 6.328 -28.326 7.872 101 H MET 14 H MET 14 8.169 -30.752 8.418 102 HA MET 14 HA MET 14 6.665 -32.647 6.713 103 HB2 MET 14 HB3 MET 14 9.585 -31.883 6.720 104 HB3 MET 14 HB2 MET 14 8.995 -33.350 5.938 105 HG2 MET 14 HG3 MET 14 9.104 -31.532 4.302 106 HG3 MET 14 HG2 MET 14 7.421 -31.973 4.594 107 HE1 MET 14 HE1 MET 14 5.677 -30.462 5.105 108 HE2 MET 14 HE2 MET 14 6.452 -29.805 3.666 109 HE3 MET 14 HE3 MET 14 5.913 -28.717 4.943 110 H TRP 15 H TRP 15 7.342 -32.311 9.777 111 HA TRP 15 HA TRP 15 8.716 -34.803 10.338 112 HB2 TRP 15 HB3 TRP 15 8.589 -32.511 11.719 113 HB3 TRP 15 HB2 TRP 15 7.235 -33.356 12.472 114 HD1 TRP 15 HD1 TRP 15 7.817 -35.028 14.302 115 HE1 TRP 15 HE1 TRP 15 9.972 -36.181 15.121 116 HE3 TRP 15 HE2 TRP 15 11.084 -33.445 10.710 117 HZ2 TRP 15 HZ2 TRP 15 12.719 -36.403 14.355 118 HZ3 TRP 15 HZ3 TRP 15 13.461 -34.141 10.779 119 HH2 TRP 15 HH2 TRP 15 14.283 -35.617 12.594 120 H TYR 16 H TYR 16 5.460 -33.496 11.006 121 HA TYR 16 HA TYR 16 4.085 -35.835 10.261 122 HB2 TYR 16 HB3 TYR 16 3.667 -36.970 12.255 123 HB3 TYR 16 HB2 TYR 16 5.370 -36.545 12.414 124 HD1 TYR 16 HD1 TYR 16 4.974 -33.558 12.947 125 HD2 TYR 16 HD2 TYR 16 3.073 -37.051 14.573 126 HE1 TYR 16 HE1 TYR 16 4.461 -32.311 15.025 127 HE2 TYR 16 HE2 TYR 16 2.561 -35.801 16.653 128 HH TYR 16 HH TYR 16 2.807 -32.437 16.881 129 H ALA 17 H ALA 17 3.554 -33.327 9.621 130 HA ALA 17 HA ALA 17 2.183 -31.469 10.834 131 HB1 ALA 17 HB1 ALA 17 1.981 -32.591 8.269 132 HB2 ALA 17 HB2 ALA 17 1.339 -31.038 8.803 133 HB3 ALA 17 HB3 ALA 17 0.324 -32.479 8.863 134 H LYS 18 H LYS 18 1.325 -31.896 12.838 135 HA LYS 18 HA LYS 18 -0.490 -34.006 13.400 136 HB2 LYS 18 HB3 LYS 18 0.926 -32.205 14.910 137 HB3 LYS 18 HB2 LYS 18 -0.725 -31.609 15.083 138 HG2 LYS 18 HG3 LYS 18 -1.391 -34.030 15.586 139 HG3 LYS 18 HG2 LYS 18 0.333 -34.360 15.750 140 HD2 LYS 18 HD3 LYS 18 -0.070 -33.788 17.932 141 HD3 LYS 18 HD2 LYS 18 0.158 -32.157 17.300 142 HE2 LYS 18 HE3 LYS 18 -1.892 -32.157 18.574 143 HE3 LYS 18 HE2 LYS 18 -2.329 -32.070 16.867 144 HZ1 LYS 18 HZ1 LYS 18 -3.485 -33.775 18.428 145 HZ2 LYS 18 HZ2 LYS 18 -2.086 -34.698 18.156 146 HZ3 LYS 18 HZ3 LYS 18 -3.061 -34.225 16.849 147 H LYS 19 H LYS 19 -0.866 -30.952 11.882 148 HA LYS 19 HA LYS 19 -2.699 -29.767 11.157 149 HB2 LYS 19 HB3 LYS 19 -3.965 -32.517 11.236 150 HB3 LYS 19 HB2 LYS 19 -4.572 -31.123 10.340 151 HG2 LYS 19 HG3 LYS 19 -2.230 -31.071 9.235 152 HG3 LYS 19 HG2 LYS 19 -2.056 -32.713 9.856 153 HD2 LYS 19 HD3 LYS 19 -3.981 -33.468 8.629 154 HD3 LYS 19 HD2 LYS 19 -4.418 -31.818 8.185 155 HE2 LYS 19 HE3 LYS 19 -3.287 -32.281 6.264 156 HE3 LYS 19 HE2 LYS 19 -1.855 -31.954 7.242 157 HZ1 LYS 19 HZ1 LYS 19 -1.305 -34.017 6.571 158 HZ2 LYS 19 HZ2 LYS 19 -2.912 -34.487 6.284 159 HZ3 LYS 19 HZ3 LYS 19 -2.291 -34.493 7.867 160 H GLN 20 H GLN 20 -5.112 -31.828 12.364 161 HA GLN 20 HA GLN 20 -5.554 -30.038 14.680 162 HB2 GLN 20 HB3 GLN 20 -8.014 -30.495 14.279 163 HB3 GLN 20 HB2 GLN 20 -7.223 -29.498 13.057 164 HG2 GLN 20 HG3 GLN 20 -8.396 -31.052 11.753 165 HG3 GLN 20 HG2 GLN 20 -6.787 -31.768 11.841 166 HE21 GLN 20 HE21 GLN 20 -6.815 -33.949 12.400 167 HE22 GLN 20 HE22 GLN 20 -8.020 -34.700 13.329 168 H5' DT 1 H5' DT 1 13.924 -16.693 -3.728 169 H5'' DT 1 H5'' DT 1 14.359 -16.849 -5.439 170 H4' DT 1 H4' DT 1 16.686 -16.269 -4.943 171 H3' DT 1 H3' DT 1 16.043 -16.857 -2.218 172 H2' DT 1 H2' DT 1 15.274 -14.717 -1.698 173 H2'' DT 1 H2'' DT 1 17.020 -14.340 -1.549 174 H1' DT 1 H1' DT 1 17.107 -13.553 -3.806 175 H3 DT 1 H3 DT 1 15.481 -9.402 -3.542 176 H71 DT 1 H71 DT 1 11.207 -12.398 -3.124 177 H72 DT 1 H72 DT 1 11.676 -12.306 -1.411 178 H73 DT 1 H73 DT 1 11.265 -10.821 -2.301 179 H6 DT 1 H6 DT 1 13.530 -13.724 -2.759 180 HO5' DT 1 HO5' DT 1 15.413 -18.386 -3.296 181 H5' DT 2 H5' DT 2 18.821 -17.739 -0.779 182 H5'' DT 2 H5'' DT 2 19.816 -19.108 -1.314 183 H4' DT 2 H4' DT 2 18.113 -20.685 -0.549 184 H3' DT 2 H3' DT 2 16.263 -18.590 -0.697 185 H2' DT 2 H2' DT 2 16.919 -17.535 1.301 186 H2'' DT 2 H2'' DT 2 15.783 -18.683 2.081 187 H1' DT 2 H1' DT 2 17.446 -20.242 2.543 188 H3 DT 2 H3 DT 2 19.315 -18.682 6.285 189 H71 DT 2 H71 DT 2 20.734 -14.764 4.289 190 H72 DT 2 H72 DT 2 21.002 -15.337 2.625 191 H73 DT 2 H73 DT 2 19.462 -14.556 3.061 192 H6 DT 2 H6 DT 2 18.953 -16.902 1.835 193 H5' DG 3 H5' DG 3 13.288 -20.153 3.566 194 H5'' DG 3 H5'' DG 3 14.183 -21.479 2.796 195 H4' DG 3 H4' DG 3 12.283 -22.007 1.380 196 H3' DG 3 H3' DG 3 11.333 -19.344 2.074 197 H2' DG 3 H2' DG 3 9.863 -20.052 3.707 198 H2'' DG 3 H2'' DG 3 8.860 -20.713 2.378 199 H1' DG 3 H1' DG 3 9.840 -22.851 2.574 200 H8 DG 3 H8 DG 3 10.948 -21.267 5.963 201 H1 DG 3 H1 DG 3 6.203 -25.567 6.328 202 H21 DG 3 H21 DG 3 5.629 -26.242 4.291 203 H22 DG 3 H22 DG 3 6.410 -25.637 2.847 204 H5' DG 4 H5' DG 4 8.583 -22.476 -0.131 205 H5'' DG 4 H5'' DG 4 7.852 -21.579 -1.475 206 H4' DG 4 H4' DG 4 6.284 -23.234 -0.564 207 H3' DG 4 H3' DG 4 5.659 -20.396 -0.714 208 H2' DG 4 H2' DG 4 4.930 -20.218 1.470 209 H2'' DG 4 H2'' DG 4 3.517 -21.069 0.774 210 H1' DG 4 H1' DG 4 4.458 -23.199 1.614 211 H8 DG 4 H8 DG 4 6.635 -20.553 3.504 212 H1 DG 4 H1 DG 4 2.690 -24.060 7.151 213 H21 DG 4 H21 DG 4 1.494 -25.431 5.867 214 H22 DG 4 H22 DG 4 1.667 -25.478 4.129 215 H5' DG 5 H5' DG 5 2.361 -23.830 -0.486 216 H5'' DG 5 H5'' DG 5 1.224 -23.391 -1.775 217 H4' DG 5 H4' DG 5 0.078 -24.509 0.095 218 H3' DG 5 H3' DG 5 -0.737 -21.996 -0.990 219 H2' DG 5 H2' DG 5 -0.435 -20.782 0.979 220 H2'' DG 5 H2'' DG 5 -2.047 -21.468 1.353 221 H1' DG 5 H1' DG 5 -1.010 -23.270 2.601 222 H8 DG 5 H8 DG 5 1.673 -20.430 2.326 223 H1 DG 5 H1 DG 5 -0.422 -21.759 8.241 224 H21 DG 5 H21 DG 5 -1.949 -23.369 8.163 225 H22 DG 5 H22 DG 5 -2.451 -24.115 6.663 226 H5' DT 6 H5' DT 6 -0.823 -25.317 -3.763 227 H5'' DT 6 H5'' DT 6 -2.344 -26.169 -3.427 228 H4' DT 6 H4' DT 6 -1.122 -27.941 -2.258 229 H3' DT 6 H3' DT 6 1.076 -26.072 -2.190 230 H2' DT 6 H2' DT 6 2.059 -26.806 -4.161 231 H2'' DT 6 H2'' DT 6 2.618 -28.198 -3.179 232 H1' DT 6 H1' DT 6 0.744 -29.512 -3.847 233 H3 DT 6 H3 DT 6 1.698 -30.979 -7.952 234 H71 DT 6 H71 DT 6 1.916 -26.728 -9.741 235 H72 DT 6 H72 DT 6 0.740 -25.885 -8.704 236 H73 DT 6 H73 DT 6 2.477 -25.815 -8.319 237 H6 DT 6 H6 DT 6 1.104 -26.574 -6.124 238 H5' DG 7 H5' DG 7 1.922 -28.735 1.239 239 H5'' DG 7 H5'' DG 7 2.562 -30.375 1.011 240 H4' DG 7 H4' DG 7 0.875 -31.274 2.538 241 H3' DG 7 H3' DG 7 -0.608 -28.935 2.069 242 H2' DG 7 H2' DG 7 0.594 -27.557 3.534 243 H2'' DG 7 H2'' DG 7 -0.544 -28.251 4.730 244 H1' DG 7 H1' DG 7 1.061 -29.887 5.398 245 H8 DG 7 H8 DG 7 3.548 -27.608 3.482 246 H1 DG 7 H1 DG 7 3.567 -26.937 9.862 247 H21 DG 7 H21 DG 7 1.932 -28.148 10.755 248 H22 DG 7 H22 DG 7 0.845 -29.118 9.788 249 H5' DG 8 H5' DG 8 -4.567 -29.610 6.013 250 H5'' DG 8 H5'' DG 8 -3.912 -28.044 5.497 251 H4' DG 8 H4' DG 8 -3.381 -29.547 8.073 252 H3' DG 8 H3' DG 8 -4.930 -27.148 7.368 253 H2' DG 8 H2' DG 8 -3.337 -25.664 8.101 254 H2'' DG 8 H2'' DG 8 -3.768 -26.300 9.720 255 H1' DG 8 H1' DG 8 -1.862 -27.831 9.595 256 H8 DG 8 H8 DG 8 -0.534 -26.258 6.387 257 H1 DG 8 H1 DG 8 1.989 -23.767 11.724 258 H21 DG 8 H21 DG 8 0.882 -24.499 13.507 259 H22 DG 8 H22 DG 8 -0.474 -25.596 13.383 260 H5' DG 9 H5' DG 9 -4.768 -27.677 12.178 261 H5'' DG 9 H5'' DG 9 -6.470 -27.352 12.564 262 H4' DG 9 H4' DG 9 -4.970 -26.129 14.075 263 H3' DG 9 H3' DG 9 -7.027 -24.848 12.518 264 H2' DG 9 H2' DG 9 -5.600 -23.354 11.453 265 H2'' DG 9 H2'' DG 9 -5.714 -22.482 13.015 266 H1' DG 9 H1' DG 9 -3.668 -23.539 13.777 267 H8 DG 9 H8 DG 9 -3.723 -23.820 9.858 268 H1 DG 9 H1 DG 9 1.007 -20.289 12.374 269 H21 DG 9 H21 DG 9 0.840 -20.266 14.591 270 H22 DG 9 H22 DG 9 -0.429 -21.114 15.446 271 H5' DT 10 H5' DT 10 -8.142 -26.585 17.674 272 H5'' DT 10 H5'' DT 10 -7.661 -24.968 18.227 273 H4' DT 10 H4' DT 10 -5.543 -25.861 19.075 274 H3' DT 10 H3' DT 10 -5.781 -27.989 17.353 275 H2' DT 10 H2' DT 10 -7.624 -28.997 18.449 276 H2'' DT 10 H2'' DT 10 -6.265 -29.873 19.224 277 H1' DT 10 H1' DT 10 -6.350 -28.409 21.126 278 H3 DT 10 H3 DT 10 -9.861 -29.677 23.570 279 H71 DT 10 H71 DT 10 -12.904 -28.699 20.235 280 H72 DT 10 H72 DT 10 -12.067 -27.353 19.429 281 H73 DT 10 H73 DT 10 -11.907 -29.008 18.794 282 H6 DT 10 H6 DT 10 -9.453 -27.939 19.108 283 H5' DG 11 H5' DG 11 -2.135 -28.305 15.111 284 H5'' DG 11 H5'' DG 11 -2.094 -29.900 15.891 285 H4' DG 11 H4' DG 11 -0.640 -29.091 17.632 286 H3' DG 11 H3' DG 11 -1.661 -26.483 17.028 287 H2' DG 11 H2' DG 11 -0.031 -25.912 15.482 288 H2'' DG 11 H2'' DG 11 0.713 -25.593 17.080 289 H1' DG 11 H1' DG 11 1.957 -27.796 16.756 290 H8 DG 11 H8 DG 11 0.775 -28.718 13.355 291 H1 DG 11 H1 DG 11 5.846 -24.796 13.154 292 H21 DG 11 H21 DG 11 6.213 -23.927 15.167 293 H22 DG 11 H22 DG 11 5.215 -24.310 16.551 294 H5' DG 12 H5' DG 12 2.157 -25.258 19.794 295 H5'' DG 12 H5'' DG 12 1.239 -24.205 20.888 296 H4' DG 12 H4' DG 12 3.241 -23.074 19.996 297 H3' DG 12 H3' DG 12 0.550 -21.997 19.739 298 H2' DG 12 H2' DG 12 0.709 -21.554 17.478 299 H2'' DG 12 H2'' DG 12 1.722 -20.211 18.094 300 H1' DG 12 H1' DG 12 3.730 -21.585 17.631 301 H8 DG 12 H8 DG 12 0.922 -23.534 15.702 302 H1 DG 12 H1 DG 12 5.438 -20.786 12.066 303 H21 DG 12 H21 DG 12 6.867 -19.666 13.345 304 H22 DG 12 H22 DG 12 6.713 -19.595 15.087 305 H5' DG 13 H5' DG 13 4.532 -19.307 19.604 306 H5'' DG 13 H5'' DG 13 4.115 -17.912 20.621 307 H4' DG 13 H4' DG 13 5.631 -17.278 18.785 308 H3' DG 13 H3' DG 13 3.142 -15.960 19.328 309 H2' DG 13 H2' DG 13 2.209 -16.360 17.232 310 H2'' DG 13 H2'' DG 13 3.240 -14.983 16.728 311 H1' DG 13 H1' DG 13 4.976 -16.477 16.016 312 H8 DG 13 H8 DG 13 1.703 -18.624 16.159 313 H1 DG 13 H1 DG 13 4.209 -17.695 10.328 314 H21 DG 13 H21 DG 13 6.027 -16.420 10.480 315 H22 DG 13 H22 DG 13 6.617 -15.806 12.007 316 H5' DT 14 H5' DT 14 8.501 -14.788 19.957 317 H5'' DT 14 H5'' DT 14 8.055 -15.494 18.389 318 H4' DT 14 H4' DT 14 8.778 -17.687 19.096 319 H3' DT 14 H3' DT 14 8.199 -17.074 21.671 320 H2' DT 14 H2' DT 14 9.842 -15.494 22.129 321 H2'' DT 14 H2'' DT 14 10.703 -17.002 22.562 322 H1' DT 14 H1' DT 14 12.037 -16.744 20.573 323 H3 DT 14 H3 DT 14 12.136 -12.436 18.164 324 H71 DT 14 H71 DT 14 11.555 -11.854 23.336 325 H72 DT 14 H72 DT 14 13.260 -12.355 23.279 326 H73 DT 14 H73 DT 14 12.745 -10.860 22.463 327 H6 DT 14 H6 DT 14 11.708 -14.421 22.520 328 H5' DG 15 H5' DG 15 9.165 -19.904 18.346 329 H5'' DG 15 H5'' DG 15 10.524 -20.993 18.685 330 H4' DG 15 H4' DG 15 11.799 -19.855 16.837 331 H3' DG 15 H3' DG 15 9.427 -18.139 16.741 332 H2' DG 15 H2' DG 15 8.440 -19.211 14.968 333 H2'' DG 15 H2'' DG 15 9.797 -18.633 13.954 334 H1' DG 15 H1' DG 15 10.983 -20.648 14.231 335 H8 DG 15 H8 DG 15 7.917 -22.242 15.887 336 H1 DG 15 H1 DG 15 8.371 -23.314 9.580 337 H21 DG 15 H21 DG 15 10.000 -22.078 8.713 338 H22 DG 15 H22 DG 15 10.973 -20.994 9.681 339 H5' DG 16 H5' DG 16 12.570 -17.176 13.113 340 H5'' DG 16 H5'' DG 16 12.569 -15.404 13.194 341 H4' DG 16 H4' DG 16 12.488 -16.221 10.865 342 H3' DG 16 H3' DG 16 10.702 -14.286 11.947 343 H2' DG 16 H2' DG 16 8.767 -15.560 11.678 344 H2'' DG 16 H2'' DG 16 8.943 -14.824 10.054 345 H1' DG 16 H1' DG 16 9.992 -16.941 9.281 346 H8 DG 16 H8 DG 16 8.164 -17.749 12.650 347 H1 DG 16 H1 DG 16 6.162 -21.021 7.510 348 H21 DG 16 H21 DG 16 7.336 -20.413 5.720 349 H22 DG 16 H22 DG 16 8.600 -19.208 5.793 350 H5' DG 17 H5' DG 17 10.993 -14.837 7.066 351 H5'' DG 17 H5'' DG 17 11.029 -13.138 6.554 352 H4' DG 17 H4' DG 17 9.860 -14.538 4.907 353 H3' DG 17 H3' DG 17 8.733 -12.176 6.046 354 H2' DG 17 H2' DG 17 6.918 -13.242 7.048 355 H2'' DG 17 H2'' DG 17 6.390 -12.935 5.363 356 H1' DG 17 H1' DG 17 6.971 -15.361 4.885 357 H8 DG 17 H8 DG 17 6.793 -14.959 8.786 358 H1 DG 17 H1 DG 17 2.904 -19.372 6.229 359 H21 DG 17 H21 DG 17 3.183 -19.451 4.027 360 H22 DG 17 H22 DG 17 4.322 -18.422 3.188 361 H5' DT 18 H5' DT 18 6.908 -14.123 1.864 362 H5'' DT 18 H5'' DT 18 6.967 -12.614 0.931 363 H4' DT 18 H4' DT 18 5.201 -14.090 0.091 364 H3' DT 18 H3' DT 18 4.787 -11.402 0.711 365 HO3' DT 18 HO3' DT 18 2.952 -13.225 -0.515 366 H2' DT 18 H2' DT 18 3.632 -11.821 2.711 367 H2'' DT 18 H2'' DT 18 2.240 -11.766 1.580 368 H1' DT 18 H1' DT 18 2.297 -14.171 1.340 369 H3 DT 18 H3 DT 18 0.100 -15.731 4.899 370 H71 DT 18 H71 DT 18 3.587 -12.433 6.998 371 H72 DT 18 H72 DT 18 3.062 -13.866 7.913 372 H73 DT 18 H73 DT 18 4.562 -13.921 6.956 373 H6 DT 18 H6 DT 18 4.091 -13.096 4.433 Start of MODEL 4 1 H1 SER 1 HT1 SER 1 18.512 -30.854 18.215 2 H2 SER 1 HT2 SER 1 19.450 -31.101 19.610 3 H3 SER 1 HT3 SER 1 17.821 -30.638 19.749 4 HA SER 1 HA SER 1 18.909 -33.230 19.597 5 HB2 SER 1 HB3 SER 1 16.053 -32.220 19.732 6 HB3 SER 1 HB2 SER 1 16.589 -33.845 20.147 7 HG SER 1 HG SER 1 18.139 -32.443 21.551 8 H MET 2 H MET 2 15.854 -33.416 18.316 9 HA MET 2 HA MET 2 16.270 -33.123 15.541 10 HB2 MET 2 HB3 MET 2 17.866 -35.055 16.139 11 HB3 MET 2 HB2 MET 2 16.406 -36.014 16.374 12 HG2 MET 2 HG3 MET 2 16.436 -36.393 14.149 13 HG3 MET 2 HG2 MET 2 15.967 -34.705 13.950 14 HE1 MET 2 HE1 MET 2 18.645 -37.016 14.857 15 HE2 MET 2 HE2 MET 2 20.160 -36.420 14.184 16 HE3 MET 2 HE3 MET 2 19.017 -37.269 13.147 17 H HIS 3 H HIS 3 14.416 -33.598 18.171 18 HA HIS 3 HA HIS 3 12.156 -34.767 16.675 19 HB2 HIS 3 HB3 HIS 3 12.909 -34.679 19.562 20 HB3 HIS 3 HB2 HIS 3 11.194 -34.700 19.153 21 HD2 HIS 3 HD2 HIS 3 13.808 -36.758 17.029 22 HE1 HIS 3 HE1 HIS 3 11.304 -39.478 19.067 23 HE2 HIS 3 HE2 HIS 3 13.149 -39.266 17.335 24 HA PRO 4 HA PRO 4 9.850 -31.101 16.006 25 HB2 PRO 4 HB3 PRO 4 7.909 -32.334 17.934 26 HB3 PRO 4 HB2 PRO 4 7.602 -31.585 16.355 27 HG2 PRO 4 HG3 PRO 4 7.742 -34.268 16.741 28 HG3 PRO 4 HG2 PRO 4 8.135 -33.471 15.210 29 HD2 PRO 4 HD3 PRO 4 9.931 -34.865 17.032 30 HD3 PRO 4 HD2 PRO 4 10.278 -34.211 15.417 31 H GLY 5 H GLY 5 9.069 -29.177 17.116 32 HA2 GLY 5 HA3 GLY 5 9.038 -27.592 18.796 33 HA3 GLY 5 HA2 GLY 5 9.250 -28.897 19.960 34 H HIS 6 H HIS 6 11.673 -29.650 18.135 35 HA HIS 6 HA HIS 6 13.553 -27.814 19.484 36 HB2 HIS 6 HB3 HIS 6 14.284 -30.510 18.360 37 HB3 HIS 6 HB2 HIS 6 15.110 -29.572 19.604 38 HD2 HIS 6 HD2 HIS 6 12.946 -29.118 21.864 39 HE1 HIS 6 HE1 HIS 6 11.821 -33.164 21.432 40 HE2 HIS 6 HE2 HIS 6 11.682 -31.130 22.946 41 H LEU 7 H LEU 7 12.253 -28.597 16.479 42 HA LEU 7 HA LEU 7 14.486 -27.218 15.126 43 HB2 LEU 7 HB3 LEU 7 13.759 -28.700 13.093 44 HB3 LEU 7 HB2 LEU 7 14.847 -29.363 14.311 45 HG LEU 7 HG LEU 7 12.981 -30.917 13.704 46 HD11 LEU 7 HD11 LEU 7 13.056 -31.736 15.808 47 HD12 LEU 7 HD12 LEU 7 12.284 -30.299 16.478 48 HD13 LEU 7 HD13 LEU 7 14.024 -30.313 16.194 49 HD21 LEU 7 HD21 LEU 7 11.360 -28.865 13.494 50 HD22 LEU 7 HD22 LEU 7 11.139 -29.092 15.230 51 HD23 LEU 7 HD23 LEU 7 10.734 -30.393 14.111 52 H LYS 8 H LYS 8 13.862 -26.114 13.144 53 HA LYS 8 HA LYS 8 10.981 -25.472 13.012 54 HB2 LYS 8 HB3 LYS 8 11.560 -23.111 12.628 55 HB3 LYS 8 HB2 LYS 8 12.143 -23.659 14.201 56 HG2 LYS 8 HG3 LYS 8 14.173 -22.893 13.574 57 HG3 LYS 8 HG2 LYS 8 14.238 -24.266 12.469 58 HD2 LYS 8 HD3 LYS 8 14.642 -22.333 11.125 59 HD3 LYS 8 HD2 LYS 8 12.977 -22.811 10.794 60 HE2 LYS 8 HE3 LYS 8 12.094 -20.974 11.851 61 HE3 LYS 8 HE2 LYS 8 13.386 -20.913 13.049 62 HZ1 LYS 8 HZ1 LYS 8 14.669 -20.395 10.718 63 HZ2 LYS 8 HZ2 LYS 8 14.164 -19.226 11.845 64 HZ3 LYS 8 HZ3 LYS 8 13.187 -19.597 10.504 65 H GLY 9 H GLY 9 10.342 -24.491 10.938 66 HA2 GLY 9 HA3 GLY 9 10.636 -24.096 8.627 67 HA3 GLY 9 HA2 GLY 9 12.155 -24.986 8.692 68 H ARG 10 H ARG 10 11.261 -26.028 6.746 69 HA ARG 10 HA ARG 10 8.971 -27.599 6.638 70 HB2 ARG 10 HB3 ARG 10 11.669 -28.060 5.347 71 HB3 ARG 10 HB2 ARG 10 10.195 -28.926 4.914 72 HG2 ARG 10 HG3 ARG 10 9.226 -26.457 4.705 73 HG3 ARG 10 HG2 ARG 10 10.924 -26.067 4.432 74 HD2 ARG 10 HD3 ARG 10 10.661 -28.252 2.837 75 HD3 ARG 10 HD2 ARG 10 9.035 -27.583 2.728 76 HE ARG 10 HE ARG 10 11.506 -26.309 1.793 77 HH11 ARG 10 HH21 ARG 10 8.099 -26.188 2.387 78 HH12 ARG 10 HH22 ARG 10 7.823 -24.843 1.332 79 HH21 ARG 10 HH11 ARG 10 11.152 -24.547 0.405 80 HH22 ARG 10 HH12 ARG 10 9.552 -23.914 0.209 81 H GLU 11 H GLU 11 11.610 -27.957 8.686 82 HA GLU 11 HA GLU 11 11.876 -30.758 8.871 83 HB2 GLU 11 HB3 GLU 11 13.073 -28.588 10.069 84 HB3 GLU 11 HB2 GLU 11 12.174 -29.312 11.404 85 HG2 GLU 11 HG3 GLU 11 13.228 -31.453 11.047 86 HG3 GLU 11 HG2 GLU 11 13.981 -30.890 9.556 87 H ILE 12 H ILE 12 10.014 -28.528 10.958 88 HA ILE 12 HA ILE 12 8.639 -30.704 12.252 89 HB ILE 12 HB ILE 12 9.127 -28.578 13.419 90 HG12 ILE 12 HG13 ILE 12 6.157 -29.088 13.056 91 HG13 ILE 12 HG12 ILE 12 7.216 -30.029 14.108 92 HG21 ILE 12 HG21 ILE 12 8.607 -27.246 11.238 93 HG22 ILE 12 HG22 ILE 12 8.160 -26.530 12.787 94 HG23 ILE 12 HG23 ILE 12 6.933 -27.311 11.789 95 HD11 ILE 12 HD11 ILE 12 6.818 -27.033 14.344 96 HD12 ILE 12 HD12 ILE 12 7.708 -28.074 15.457 97 HD13 ILE 12 HD13 ILE 12 5.955 -28.225 15.318 98 H GLY 13 H GLY 13 7.991 -28.503 9.603 99 HA2 GLY 13 HA3 GLY 13 5.206 -28.874 9.384 100 HA3 GLY 13 HA2 GLY 13 6.278 -28.395 8.072 101 H MET 14 H MET 14 7.805 -31.018 8.770 102 HA MET 14 HA MET 14 6.000 -32.802 7.248 103 HB2 MET 14 HB3 MET 14 9.026 -32.769 7.177 104 HB3 MET 14 HB2 MET 14 7.954 -33.758 6.183 105 HG2 MET 14 HG3 MET 14 7.757 -30.748 6.177 106 HG3 MET 14 HG2 MET 14 8.892 -31.593 5.126 107 HE1 MET 14 HE1 MET 14 6.578 -29.637 4.397 108 HE2 MET 14 HE2 MET 14 5.372 -30.255 5.524 109 HE3 MET 14 HE3 MET 14 5.074 -30.343 3.789 110 H TRP 15 H TRP 15 7.948 -32.389 10.061 111 HA TRP 15 HA TRP 15 7.964 -35.262 10.645 112 HB2 TRP 15 HB3 TRP 15 9.926 -33.577 11.054 113 HB3 TRP 15 HB2 TRP 15 9.021 -33.170 12.511 114 HD1 TRP 15 HD1 TRP 15 8.204 -35.507 13.943 115 HE1 TRP 15 HE1 TRP 15 9.692 -37.523 14.550 116 HE3 TRP 15 HE2 TRP 15 11.929 -34.926 10.497 117 HZ2 TRP 15 HZ2 TRP 15 12.138 -38.730 13.690 118 HZ3 TRP 15 HZ3 TRP 15 13.824 -36.522 10.413 119 HH2 TRP 15 HH2 TRP 15 13.933 -38.421 12.003 120 H TYR 16 H TYR 16 6.420 -32.278 11.665 121 HA TYR 16 HA TYR 16 4.761 -33.872 13.523 122 HB2 TYR 16 HB3 TYR 16 6.473 -32.081 14.458 123 HB3 TYR 16 HB2 TYR 16 5.185 -30.959 14.019 124 HD1 TYR 16 HD1 TYR 16 5.605 -34.293 15.700 125 HD2 TYR 16 HD2 TYR 16 3.529 -30.534 15.600 126 HE1 TYR 16 HE1 TYR 16 4.346 -34.934 17.739 127 HE2 TYR 16 HE2 TYR 16 2.271 -31.175 17.639 128 HH TYR 16 HH TYR 16 2.538 -34.411 19.020 129 H ALA 17 H ALA 17 4.315 -33.170 10.686 130 HA ALA 17 HA ALA 17 2.358 -31.076 10.596 131 HB1 ALA 17 HB1 ALA 17 3.610 -32.913 8.718 132 HB2 ALA 17 HB2 ALA 17 2.911 -31.319 8.432 133 HB3 ALA 17 HB3 ALA 17 1.881 -32.748 8.413 134 H LYS 18 H LYS 18 1.317 -32.080 12.618 135 HA LYS 18 HA LYS 18 -0.281 -34.414 12.376 136 HB2 LYS 18 HB3 LYS 18 0.355 -32.548 14.397 137 HB3 LYS 18 HB2 LYS 18 -1.400 -32.519 14.239 138 HG2 LYS 18 HG3 LYS 18 0.147 -35.111 14.409 139 HG3 LYS 18 HG2 LYS 18 -0.427 -34.266 15.848 140 HD2 LYS 18 HD3 LYS 18 -2.219 -35.075 13.542 141 HD3 LYS 18 HD2 LYS 18 -2.015 -36.029 15.011 142 HE2 LYS 18 HE3 LYS 18 -2.540 -33.568 16.067 143 HE3 LYS 18 HE2 LYS 18 -3.508 -33.513 14.593 144 HZ1 LYS 18 HZ1 LYS 18 -3.792 -36.034 15.817 145 HZ2 LYS 18 HZ2 LYS 18 -4.981 -34.860 15.513 146 HZ3 LYS 18 HZ3 LYS 18 -4.103 -34.827 16.966 147 H LYS 19 H LYS 19 -0.558 -31.431 10.896 148 HA LYS 19 HA LYS 19 -2.238 -30.369 9.742 149 HB2 LYS 19 HB3 LYS 19 -3.367 -33.178 9.756 150 HB3 LYS 19 HB2 LYS 19 -3.947 -31.863 8.735 151 HG2 LYS 19 HG3 LYS 19 -1.777 -31.679 7.651 152 HG3 LYS 19 HG2 LYS 19 -1.093 -32.882 8.744 153 HD2 LYS 19 HD3 LYS 19 -2.243 -34.645 7.745 154 HD3 LYS 19 HD2 LYS 19 -3.510 -33.593 7.112 155 HE2 LYS 19 HE3 LYS 19 -2.239 -32.921 5.295 156 HE3 LYS 19 HE2 LYS 19 -0.711 -33.187 6.135 157 HZ1 LYS 19 HZ1 LYS 19 -1.396 -34.832 4.323 158 HZ2 LYS 19 HZ2 LYS 19 -2.491 -35.444 5.468 159 HZ3 LYS 19 HZ3 LYS 19 -0.823 -35.463 5.790 160 H GLN 20 H GLN 20 -4.616 -32.616 10.898 161 HA GLN 20 HA GLN 20 -5.604 -30.603 12.825 162 HB2 GLN 20 HB3 GLN 20 -7.918 -31.214 12.101 163 HB3 GLN 20 HB2 GLN 20 -6.978 -30.415 10.840 164 HG2 GLN 20 HG3 GLN 20 -7.482 -32.169 9.516 165 HG3 GLN 20 HG2 GLN 20 -6.377 -33.116 10.510 166 HE21 GLN 20 HE21 GLN 20 -9.483 -33.176 9.333 167 HE22 GLN 20 HE22 GLN 20 -10.222 -34.106 10.546 168 H5' DT 1 H5' DT 1 19.752 -23.532 9.897 169 H5'' DT 1 H5'' DT 1 18.809 -23.451 11.397 170 H4' DT 1 H4' DT 1 19.389 -21.090 11.682 171 H3' DT 1 H3' DT 1 20.103 -21.112 8.928 172 H2' DT 1 H2' DT 1 22.267 -21.941 9.264 173 H2'' DT 1 H2'' DT 1 22.608 -20.209 9.574 174 H1' DT 1 H1' DT 1 22.346 -20.552 11.953 175 H3 DT 1 H3 DT 1 26.229 -22.314 13.277 176 H71 DT 1 H71 DT 1 23.915 -26.275 10.751 177 H72 DT 1 H72 DT 1 24.746 -25.493 9.386 178 H73 DT 1 H73 DT 1 25.690 -26.141 10.748 179 H6 DT 1 H6 DT 1 22.799 -23.862 10.289 180 HO5' DT 1 HO5' DT 1 17.525 -23.216 9.513 181 H5' DT 2 H5' DT 2 16.389 -17.915 9.470 182 H5'' DT 2 H5'' DT 2 16.176 -19.663 9.242 183 H4' DT 2 H4' DT 2 15.239 -18.366 7.363 184 H3' DT 2 H3' DT 2 17.091 -20.536 7.045 185 H2' DT 2 H2' DT 2 18.712 -19.288 5.932 186 H2'' DT 2 H2'' DT 2 17.632 -19.536 4.524 187 H1' DT 2 H1' DT 2 16.568 -17.409 4.914 188 H3 DT 2 H3 DT 2 19.352 -14.324 3.280 189 H71 DT 2 H71 DT 2 21.824 -15.999 7.582 190 H72 DT 2 H72 DT 2 22.435 -17.183 6.403 191 H73 DT 2 H73 DT 2 22.768 -15.449 6.177 192 H6 DT 2 H6 DT 2 19.795 -17.581 6.786 193 H5' DG 3 H5' DG 3 14.407 -21.468 3.429 194 H5'' DG 3 H5'' DG 3 14.166 -20.036 2.407 195 H4' DG 3 H4' DG 3 12.689 -21.884 1.728 196 H3' DG 3 H3' DG 3 11.760 -19.240 2.316 197 H2' DG 3 H2' DG 3 10.328 -19.861 4.040 198 H2'' DG 3 H2'' DG 3 9.242 -20.327 2.692 199 H1' DG 3 H1' DG 3 9.989 -22.603 2.815 200 H8 DG 3 H8 DG 3 11.083 -21.055 6.237 201 H1 DG 3 H1 DG 3 6.409 -25.441 6.503 202 H21 DG 3 H21 DG 3 5.900 -26.133 4.453 203 H22 DG 3 H22 DG 3 6.707 -25.520 3.028 204 H5' DG 4 H5' DG 4 8.899 -22.359 0.027 205 H5'' DG 4 H5'' DG 4 8.238 -21.396 -1.309 206 H4' DG 4 H4' DG 4 6.589 -23.022 -0.482 207 H3' DG 4 H3' DG 4 6.072 -20.149 -0.546 208 H2' DG 4 H2' DG 4 5.181 -20.036 1.573 209 H2'' DG 4 H2'' DG 4 3.794 -20.934 0.884 210 H1' DG 4 H1' DG 4 4.715 -23.017 1.645 211 H8 DG 4 H8 DG 4 6.879 -20.430 3.621 212 H1 DG 4 H1 DG 4 2.774 -23.892 7.127 213 H21 DG 4 H21 DG 4 1.577 -25.219 5.805 214 H22 DG 4 H22 DG 4 1.789 -25.253 4.069 215 H5' DG 5 H5' DG 5 2.730 -23.467 -0.671 216 H5'' DG 5 H5'' DG 5 1.647 -22.980 -1.990 217 H4' DG 5 H4' DG 5 0.441 -24.162 -0.188 218 H3' DG 5 H3' DG 5 -0.303 -21.541 -1.178 219 H2' DG 5 H2' DG 5 -0.417 -20.515 0.881 220 H2'' DG 5 H2'' DG 5 -1.922 -21.461 1.096 221 H1' DG 5 H1' DG 5 -0.741 -23.157 2.299 222 H8 DG 5 H8 DG 5 1.839 -20.221 2.263 223 H1 DG 5 H1 DG 5 -0.688 -21.651 7.982 224 H21 DG 5 H21 DG 5 -2.195 -23.269 7.764 225 H22 DG 5 H22 DG 5 -2.575 -23.996 6.220 226 H5' DT 6 H5' DT 6 -3.298 -26.973 -0.201 227 H5'' DT 6 H5'' DT 6 -1.623 -27.195 0.342 228 H4' DT 6 H4' DT 6 -2.283 -28.917 -1.292 229 H3' DT 6 H3' DT 6 0.081 -27.349 -1.512 230 H2' DT 6 H2' DT 6 -0.567 -26.264 -3.488 231 H2'' DT 6 H2'' DT 6 0.100 -27.755 -4.227 232 H1' DT 6 H1' DT 6 -2.104 -28.751 -4.281 233 H3 DT 6 H3 DT 6 -3.967 -27.016 -7.948 234 H71 DT 6 H71 DT 6 -3.930 -22.708 -6.286 235 H72 DT 6 H72 DT 6 -4.094 -23.039 -4.545 236 H73 DT 6 H73 DT 6 -2.482 -22.777 -5.253 237 H6 DT 6 H6 DT 6 -2.458 -25.063 -3.825 238 H5' DG 7 H5' DG 7 2.112 -28.711 1.070 239 H5'' DG 7 H5'' DG 7 2.563 -30.423 0.941 240 H4' DG 7 H4' DG 7 0.789 -31.042 2.498 241 H3' DG 7 H3' DG 7 -0.432 -28.581 1.862 242 H2' DG 7 H2' DG 7 0.869 -27.277 3.304 243 H2'' DG 7 H2'' DG 7 -0.623 -27.896 4.080 244 H1' DG 7 H1' DG 7 1.031 -29.585 5.253 245 H8 DG 7 H8 DG 7 3.699 -27.444 3.396 246 H1 DG 7 H1 DG 7 3.788 -27.043 9.798 247 H21 DG 7 H21 DG 7 2.095 -28.194 10.656 248 H22 DG 7 H22 DG 7 0.947 -29.060 9.659 249 H5' DG 8 H5' DG 8 -2.707 -30.632 5.958 250 H5'' DG 8 H5'' DG 8 -4.328 -29.974 5.668 251 H4' DG 8 H4' DG 8 -3.582 -29.808 8.052 252 H3' DG 8 H3' DG 8 -4.569 -27.542 6.452 253 H2' DG 8 H2' DG 8 -3.074 -26.022 7.292 254 H2'' DG 8 H2'' DG 8 -3.802 -26.252 8.911 255 H1' DG 8 H1' DG 8 -2.211 -27.856 9.516 256 H8 DG 8 H8 DG 8 -0.253 -26.988 6.319 257 H1 DG 8 H1 DG 8 1.770 -23.940 11.583 258 H21 DG 8 H21 DG 8 0.390 -24.343 13.275 259 H22 DG 8 H22 DG 8 -1.027 -25.356 13.110 260 H5' DG 9 H5' DG 9 -4.912 -27.708 11.062 261 H5'' DG 9 H5'' DG 9 -6.626 -27.412 11.417 262 H4' DG 9 H4' DG 9 -5.150 -26.501 13.174 263 H3' DG 9 H3' DG 9 -7.189 -24.991 11.844 264 H2' DG 9 H2' DG 9 -5.781 -23.341 11.015 265 H2'' DG 9 H2'' DG 9 -5.854 -22.700 12.686 266 H1' DG 9 H1' DG 9 -3.820 -23.809 13.269 267 H8 DG 9 H8 DG 9 -3.839 -23.788 9.344 268 H1 DG 9 H1 DG 9 0.648 -20.162 12.152 269 H21 DG 9 H21 DG 9 0.440 -20.269 14.362 270 H22 DG 9 H22 DG 9 -0.796 -21.229 15.144 271 H5' DT 10 H5' DT 10 -5.303 -25.883 16.242 272 H5'' DT 10 H5'' DT 10 -4.434 -27.368 15.803 273 H4' DT 10 H4' DT 10 -5.462 -27.426 18.089 274 H3' DT 10 H3' DT 10 -5.789 -29.486 16.045 275 H2' DT 10 H2' DT 10 -8.074 -29.665 16.289 276 H2'' DT 10 H2'' DT 10 -7.724 -30.426 17.872 277 H1' DT 10 H1' DT 10 -7.959 -28.341 19.000 278 H3 DT 10 H3 DT 10 -12.338 -27.521 19.274 279 H71 DT 10 H71 DT 10 -11.310 -26.787 14.190 280 H72 DT 10 H72 DT 10 -11.620 -28.540 14.185 281 H73 DT 10 H73 DT 10 -12.902 -27.411 14.689 282 H6 DT 10 H6 DT 10 -9.349 -28.042 15.547 283 H5' DG 11 H5' DG 11 -2.268 -28.606 15.234 284 H5'' DG 11 H5'' DG 11 -1.953 -30.231 15.876 285 H4' DG 11 H4' DG 11 -0.520 -29.286 17.625 286 H3' DG 11 H3' DG 11 -1.748 -26.760 16.923 287 H2' DG 11 H2' DG 11 -0.101 -26.089 15.449 288 H2'' DG 11 H2'' DG 11 0.881 -25.803 16.919 289 H1' DG 11 H1' DG 11 1.915 -27.945 16.717 290 H8 DG 11 H8 DG 11 0.722 -28.767 13.269 291 H1 DG 11 H1 DG 11 5.909 -24.996 13.234 292 H21 DG 11 H21 DG 11 6.282 -24.195 15.270 293 H22 DG 11 H22 DG 11 5.261 -24.588 16.635 294 H5' DG 12 H5' DG 12 1.852 -25.338 19.718 295 H5'' DG 12 H5'' DG 12 0.922 -24.302 20.821 296 H4' DG 12 H4' DG 12 2.868 -23.104 19.936 297 H3' DG 12 H3' DG 12 0.134 -22.143 19.518 298 H2' DG 12 H2' DG 12 0.432 -21.600 17.304 299 H2'' DG 12 H2'' DG 12 1.466 -20.299 17.971 300 H1' DG 12 H1' DG 12 3.437 -21.691 17.571 301 H8 DG 12 H8 DG 12 0.691 -23.687 15.610 302 H1 DG 12 H1 DG 12 5.255 -20.945 12.028 303 H21 DG 12 H21 DG 12 6.640 -19.784 13.318 304 H22 DG 12 H22 DG 12 6.446 -19.683 15.053 305 H5' DG 13 H5' DG 13 3.897 -19.362 19.794 306 H5'' DG 13 H5'' DG 13 3.453 -17.905 20.706 307 H4' DG 13 H4' DG 13 5.080 -17.455 18.879 308 H3' DG 13 H3' DG 13 2.577 -16.019 19.247 309 H2' DG 13 H2' DG 13 1.880 -16.224 17.057 310 H2'' DG 13 H2'' DG 13 3.157 -15.018 16.705 311 H1' DG 13 H1' DG 13 4.709 -16.764 16.144 312 H8 DG 13 H8 DG 13 1.307 -18.690 16.068 313 H1 DG 13 H1 DG 13 4.106 -17.701 10.382 314 H21 DG 13 H21 DG 13 5.957 -16.491 10.652 315 H22 DG 13 H22 DG 13 6.493 -15.935 12.221 316 H5' DT 14 H5' DT 14 6.771 -17.419 20.499 317 H5'' DT 14 H5'' DT 14 6.696 -15.647 20.519 318 H4' DT 14 H4' DT 14 8.997 -17.299 19.418 319 H3' DT 14 H3' DT 14 8.553 -16.880 22.099 320 H2' DT 14 H2' DT 14 8.484 -14.516 21.960 321 H2'' DT 14 H2'' DT 14 10.183 -14.853 22.425 322 H1' DT 14 H1' DT 14 10.845 -14.590 20.069 323 H3 DT 14 H3 DT 14 8.882 -10.991 17.534 324 H71 DT 14 H71 DT 14 9.638 -9.889 22.596 325 H72 DT 14 H72 DT 14 8.470 -8.937 21.649 326 H73 DT 14 H73 DT 14 7.908 -10.309 22.635 327 H6 DT 14 H6 DT 14 9.348 -12.516 22.067 328 H5' DG 15 H5' DG 15 9.057 -19.806 18.562 329 H5'' DG 15 H5'' DG 15 10.522 -20.670 19.067 330 H4' DG 15 H4' DG 15 11.755 -19.674 17.172 331 H3' DG 15 H3' DG 15 9.354 -18.012 16.886 332 H2' DG 15 H2' DG 15 8.496 -19.153 15.094 333 H2'' DG 15 H2'' DG 15 9.919 -18.604 14.158 334 H1' DG 15 H1' DG 15 11.067 -20.628 14.581 335 H8 DG 15 H8 DG 15 8.113 -22.318 16.242 336 H1 DG 15 H1 DG 15 8.330 -23.197 9.890 337 H21 DG 15 H21 DG 15 9.863 -21.868 8.990 338 H22 DG 15 H22 DG 15 10.829 -20.768 9.946 339 H5' DG 16 H5' DG 16 12.566 -17.128 13.394 340 H5'' DG 16 H5'' DG 16 12.607 -15.354 13.437 341 H4' DG 16 H4' DG 16 12.566 -16.198 11.126 342 H3' DG 16 H3' DG 16 10.742 -14.249 12.138 343 H2' DG 16 H2' DG 16 8.814 -15.503 11.771 344 H2'' DG 16 H2'' DG 16 9.015 -14.910 10.092 345 H1' DG 16 H1' DG 16 10.156 -16.934 9.469 346 H8 DG 16 H8 DG 16 8.201 -17.721 12.771 347 H1 DG 16 H1 DG 16 6.314 -20.939 7.551 348 H21 DG 16 H21 DG 16 7.544 -20.328 5.800 349 H22 DG 16 H22 DG 16 8.818 -19.136 5.917 350 H5' DG 17 H5' DG 17 10.948 -14.720 7.253 351 H5'' DG 17 H5'' DG 17 10.991 -13.012 6.769 352 H4' DG 17 H4' DG 17 9.642 -14.307 5.197 353 H3' DG 17 H3' DG 17 8.537 -12.063 6.691 354 H2' DG 17 H2' DG 17 6.629 -13.162 7.364 355 H2'' DG 17 H2'' DG 17 6.302 -12.804 5.640 356 H1' DG 17 H1' DG 17 6.952 -15.226 5.180 357 H8 DG 17 H8 DG 17 6.641 -14.981 9.087 358 H1 DG 17 H1 DG 17 2.866 -19.308 6.230 359 H21 DG 17 H21 DG 17 3.205 -19.283 4.034 360 H22 DG 17 H22 DG 17 4.352 -18.204 3.273 361 H5' DT 18 H5' DT 18 6.511 -13.269 2.358 362 H5'' DT 18 H5'' DT 18 6.592 -11.645 1.643 363 H4' DT 18 H4' DT 18 4.617 -12.815 0.828 364 H3' DT 18 H3' DT 18 4.479 -10.274 2.041 365 HO3' DT 18 HO3' DT 18 2.478 -11.683 0.556 366 H2' DT 18 H2' DT 18 3.383 -11.022 3.965 367 H2'' DT 18 H2'' DT 18 1.943 -10.712 2.940 368 H1' DT 18 H1' DT 18 1.915 -13.032 2.233 369 H3 DT 18 H3 DT 18 -0.205 -15.199 5.509 370 H71 DT 18 H71 DT 18 4.373 -13.914 7.704 371 H72 DT 18 H72 DT 18 3.442 -12.442 8.067 372 H73 DT 18 H73 DT 18 2.908 -14.014 8.710 373 H6 DT 18 H6 DT 18 3.841 -12.609 5.406 Start of MODEL 5 1 H1 SER 1 HT1 SER 1 7.453 -37.199 16.913 2 H2 SER 1 HT2 SER 1 5.948 -37.840 16.457 3 H3 SER 1 HT3 SER 1 7.375 -38.703 16.132 4 HA SER 1 HA SER 1 5.848 -39.280 18.183 5 HB2 SER 1 HB3 SER 1 8.857 -39.212 18.475 6 HB3 SER 1 HB2 SER 1 7.733 -40.404 19.120 7 HG SER 1 HG SER 1 8.083 -41.431 17.327 8 H MET 2 H MET 2 8.772 -37.347 18.854 9 HA MET 2 HA MET 2 7.267 -35.533 20.557 10 HB2 MET 2 HB3 MET 2 8.677 -37.813 21.640 11 HB3 MET 2 HB2 MET 2 9.404 -36.311 22.212 12 HG2 MET 2 HG3 MET 2 7.094 -35.508 22.816 13 HG3 MET 2 HG2 MET 2 6.490 -37.116 22.417 14 HE1 MET 2 HE1 MET 2 6.436 -38.980 23.737 15 HE2 MET 2 HE2 MET 2 7.478 -39.417 25.088 16 HE3 MET 2 HE3 MET 2 8.150 -39.322 23.463 17 H HIS 3 H HIS 3 9.648 -36.140 18.383 18 HA HIS 3 HA HIS 3 11.754 -34.437 19.240 19 HB2 HIS 3 HB3 HIS 3 11.142 -36.048 16.950 20 HB3 HIS 3 HB2 HIS 3 11.628 -34.446 16.398 21 HD2 HIS 3 HD2 HIS 3 13.172 -36.547 19.421 22 HE1 HIS 3 HE1 HIS 3 16.264 -35.427 16.774 23 HE2 HIS 3 HE2 HIS 3 15.744 -36.592 18.970 24 HA PRO 4 HA PRO 4 9.459 -31.288 16.156 25 HB2 PRO 4 HB3 PRO 4 6.728 -32.138 17.030 26 HB3 PRO 4 HB2 PRO 4 7.272 -31.538 15.452 27 HG2 PRO 4 HG3 PRO 4 6.780 -34.125 15.875 28 HG3 PRO 4 HG2 PRO 4 8.079 -33.581 14.801 29 HD2 PRO 4 HD3 PRO 4 8.270 -34.794 17.511 30 HD3 PRO 4 HD2 PRO 4 9.442 -34.821 16.176 31 H GLY 5 H GLY 5 8.393 -29.269 16.846 32 HA2 GLY 5 HA3 GLY 5 7.290 -28.000 18.613 33 HA3 GLY 5 HA2 GLY 5 8.084 -29.052 19.781 34 H HIS 6 H HIS 6 10.656 -29.104 19.093 35 HA HIS 6 HA HIS 6 11.486 -26.306 19.448 36 HB2 HIS 6 HB3 HIS 6 13.741 -27.840 19.796 37 HB3 HIS 6 HB2 HIS 6 12.665 -27.313 21.091 38 HD2 HIS 6 HD2 HIS 6 14.143 -30.541 20.167 39 HE1 HIS 6 HE1 HIS 6 10.212 -31.599 21.284 40 HE2 HIS 6 HE2 HIS 6 12.541 -32.497 20.818 41 H LEU 7 H LEU 7 10.877 -28.034 16.880 42 HA LEU 7 HA LEU 7 13.416 -27.737 15.467 43 HB2 LEU 7 HB3 LEU 7 10.763 -28.987 14.831 44 HB3 LEU 7 HB2 LEU 7 11.890 -28.602 13.529 45 HG LEU 7 HG LEU 7 13.640 -29.930 14.620 46 HD11 LEU 7 HD11 LEU 7 11.524 -30.194 16.752 47 HD12 LEU 7 HD12 LEU 7 13.213 -29.721 16.931 48 HD13 LEU 7 HD13 LEU 7 12.799 -31.401 16.587 49 HD21 LEU 7 HD21 LEU 7 12.037 -32.146 14.755 50 HD22 LEU 7 HD22 LEU 7 12.636 -31.452 13.250 51 HD23 LEU 7 HD23 LEU 7 11.020 -31.045 13.826 52 H LYS 8 H LYS 8 13.287 -26.747 13.221 53 HA LYS 8 HA LYS 8 11.374 -24.552 12.974 54 HB2 LYS 8 HB3 LYS 8 13.473 -23.836 14.338 55 HB3 LYS 8 HB2 LYS 8 14.297 -23.887 12.779 56 HG2 LYS 8 HG3 LYS 8 11.717 -22.367 13.209 57 HG3 LYS 8 HG2 LYS 8 13.304 -21.629 13.425 58 HD2 LYS 8 HD3 LYS 8 13.708 -22.722 11.013 59 HD3 LYS 8 HD2 LYS 8 11.958 -22.527 10.920 60 HE2 LYS 8 HE3 LYS 8 14.035 -20.382 11.396 61 HE3 LYS 8 HE2 LYS 8 12.884 -20.497 10.064 62 HZ1 LYS 8 HZ1 LYS 8 12.518 -19.107 12.374 63 HZ2 LYS 8 HZ2 LYS 8 11.615 -20.524 12.630 64 HZ3 LYS 8 HZ3 LYS 8 11.300 -19.546 11.277 65 H GLY 9 H GLY 9 10.748 -24.418 10.921 66 HA2 GLY 9 HA3 GLY 9 11.179 -24.131 8.587 67 HA3 GLY 9 HA2 GLY 9 12.664 -25.059 8.778 68 H ARG 10 H ARG 10 11.209 -25.835 6.727 69 HA ARG 10 HA ARG 10 9.067 -27.469 6.806 70 HB2 ARG 10 HB3 ARG 10 11.691 -27.879 5.374 71 HB3 ARG 10 HB2 ARG 10 10.311 -28.949 5.128 72 HG2 ARG 10 HG3 ARG 10 8.951 -26.816 4.670 73 HG3 ARG 10 HG2 ARG 10 10.507 -25.995 4.536 74 HD2 ARG 10 HD3 ARG 10 9.869 -28.496 2.968 75 HD3 ARG 10 HD2 ARG 10 9.501 -26.887 2.355 76 HE ARG 10 HE ARG 10 12.108 -26.647 2.990 77 HH11 ARG 10 HH21 ARG 10 10.311 -29.073 1.298 78 HH12 ARG 10 HH22 ARG 10 11.630 -29.532 0.275 79 HH21 ARG 10 HH11 ARG 10 13.843 -27.245 1.651 80 HH22 ARG 10 HH12 ARG 10 13.629 -28.498 0.474 81 H GLU 11 H GLU 11 12.007 -27.966 8.507 82 HA GLU 11 HA GLU 11 12.183 -30.699 8.831 83 HB2 GLU 11 HB3 GLU 11 12.597 -28.542 10.915 84 HB3 GLU 11 HB2 GLU 11 13.146 -30.212 11.070 85 HG2 GLU 11 HG3 GLU 11 14.186 -29.648 8.653 86 HG3 GLU 11 HG2 GLU 11 14.193 -28.026 9.343 87 H ILE 12 H ILE 12 10.080 -28.430 10.582 88 HA ILE 12 HA ILE 12 8.841 -30.599 12.077 89 HB ILE 12 HB ILE 12 9.283 -28.313 13.052 90 HG12 ILE 12 HG13 ILE 12 6.392 -29.238 12.983 91 HG13 ILE 12 HG12 ILE 12 7.646 -29.902 14.029 92 HG21 ILE 12 HG21 ILE 12 8.429 -27.223 10.842 93 HG22 ILE 12 HG22 ILE 12 8.022 -26.449 12.374 94 HG23 ILE 12 HG23 ILE 12 6.825 -27.444 11.543 95 HD11 ILE 12 HD11 ILE 12 7.689 -27.064 14.324 96 HD12 ILE 12 HD12 ILE 12 7.252 -28.275 15.529 97 HD13 ILE 12 HD13 ILE 12 6.014 -27.594 14.474 98 H GLY 13 H GLY 13 8.152 -28.548 9.317 99 HA2 GLY 13 HA3 GLY 13 5.374 -29.266 9.125 100 HA3 GLY 13 HA2 GLY 13 6.323 -28.425 7.903 101 H MET 14 H MET 14 8.234 -30.917 8.459 102 HA MET 14 HA MET 14 6.853 -32.673 6.520 103 HB2 MET 14 HB3 MET 14 9.753 -31.899 6.771 104 HB3 MET 14 HB2 MET 14 9.255 -33.350 5.901 105 HG2 MET 14 HG3 MET 14 9.472 -31.392 4.387 106 HG3 MET 14 HG2 MET 14 7.822 -32.010 4.433 107 HE1 MET 14 HE1 MET 14 5.730 -29.222 5.192 108 HE2 MET 14 HE2 MET 14 5.953 -30.942 4.879 109 HE3 MET 14 HE3 MET 14 6.495 -29.760 3.691 110 H TRP 15 H TRP 15 8.835 -32.484 9.417 111 HA TRP 15 HA TRP 15 9.680 -34.958 9.977 112 HB2 TRP 15 HB3 TRP 15 8.946 -32.751 11.533 113 HB3 TRP 15 HB2 TRP 15 8.043 -34.101 12.219 114 HD1 TRP 15 HD1 TRP 15 11.530 -32.718 11.831 115 HE1 TRP 15 HE1 TRP 15 13.190 -34.194 13.140 116 HE3 TRP 15 HE2 TRP 15 8.481 -36.641 13.011 117 HZ2 TRP 15 HZ2 TRP 15 13.220 -36.707 14.508 118 HZ3 TRP 15 HZ3 TRP 15 9.350 -38.560 14.317 119 HH2 TRP 15 HH2 TRP 15 11.712 -38.598 15.066 120 H TYR 16 H TYR 16 6.298 -33.994 10.603 121 HA TYR 16 HA TYR 16 5.221 -36.422 9.573 122 HB2 TYR 16 HB3 TYR 16 4.713 -37.639 11.484 123 HB3 TYR 16 HB2 TYR 16 6.312 -37.014 11.886 124 HD1 TYR 16 HD2 TYR 16 5.510 -34.114 12.341 125 HD2 TYR 16 HD1 TYR 16 3.785 -37.809 13.690 126 HE1 TYR 16 HE2 TYR 16 4.562 -32.951 14.314 127 HE2 TYR 16 HE1 TYR 16 2.837 -36.645 15.664 128 HH TYR 16 HH TYR 16 2.653 -34.726 16.751 129 H ALA 17 H ALA 17 4.773 -33.606 9.322 130 HA ALA 17 HA ALA 17 2.866 -32.285 10.626 131 HB1 ALA 17 HB1 ALA 17 3.687 -31.555 8.439 132 HB2 ALA 17 HB2 ALA 17 1.922 -31.532 8.468 133 HB3 ALA 17 HB3 ALA 17 2.774 -32.843 7.652 134 H LYS 18 H LYS 18 1.477 -33.501 11.889 135 HA LYS 18 HA LYS 18 -0.180 -35.576 10.783 136 HB2 LYS 18 HB3 LYS 18 -1.187 -35.678 12.982 137 HB3 LYS 18 HB2 LYS 18 0.559 -35.517 13.170 138 HG2 LYS 18 HG3 LYS 18 -0.078 -32.912 13.154 139 HG3 LYS 18 HG2 LYS 18 -1.601 -33.552 13.774 140 HD2 LYS 18 HD3 LYS 18 -0.426 -34.707 15.579 141 HD3 LYS 18 HD2 LYS 18 1.130 -34.184 14.934 142 HE2 LYS 18 HE3 LYS 18 -0.194 -31.795 15.147 143 HE3 LYS 18 HE2 LYS 18 -0.848 -32.679 16.525 144 HZ1 LYS 18 HZ1 LYS 18 2.053 -32.576 15.968 145 HZ2 LYS 18 HZ2 LYS 18 1.271 -33.001 17.415 146 HZ3 LYS 18 HZ3 LYS 18 1.278 -31.384 16.893 147 H LYS 19 H LYS 19 -0.249 -32.361 10.292 148 HA LYS 19 HA LYS 19 -1.924 -30.770 9.960 149 HB2 LYS 19 HB3 LYS 19 -3.681 -31.882 8.326 150 HB3 LYS 19 HB2 LYS 19 -2.018 -31.604 7.808 151 HG2 LYS 19 HG3 LYS 19 -1.438 -33.922 8.470 152 HG3 LYS 19 HG2 LYS 19 -3.118 -34.196 8.932 153 HD2 LYS 19 HD3 LYS 19 -2.938 -35.064 6.724 154 HD3 LYS 19 HD2 LYS 19 -3.725 -33.497 6.538 155 HE2 LYS 19 HE3 LYS 19 -1.721 -32.461 5.786 156 HE3 LYS 19 HE2 LYS 19 -0.727 -33.811 6.333 157 HZ1 LYS 19 HZ1 LYS 19 -2.655 -34.807 4.574 158 HZ2 LYS 19 HZ2 LYS 19 -0.972 -34.739 4.357 159 HZ3 LYS 19 HZ3 LYS 19 -1.950 -33.451 3.838 160 H GLN 20 H GLN 20 -2.323 -31.781 12.468 161 HA GLN 20 HA GLN 20 -5.207 -31.541 12.719 162 HB2 GLN 20 HB3 GLN 20 -4.227 -34.097 12.552 163 HB3 GLN 20 HB2 GLN 20 -4.216 -33.818 14.293 164 HG2 GLN 20 HG3 GLN 20 -6.608 -33.238 12.528 165 HG3 GLN 20 HG2 GLN 20 -6.386 -34.758 13.394 166 HE21 GLN 20 HE21 GLN 20 -7.968 -31.862 13.674 167 HE22 GLN 20 HE22 GLN 20 -8.025 -31.733 15.365 168 H5' DT 1 H5' DT 1 21.459 -28.360 -3.092 169 H5'' DT 1 H5'' DT 1 20.652 -26.865 -3.598 170 H4' DT 1 H4' DT 1 21.549 -26.665 -1.314 171 H3' DT 1 H3' DT 1 22.067 -24.782 -3.403 172 H2' DT 1 H2' DT 1 24.384 -25.065 -3.396 173 H2'' DT 1 H2'' DT 1 24.326 -23.974 -1.975 174 H1' DT 1 H1' DT 1 24.273 -25.820 -0.467 175 H3 DT 1 H3 DT 1 28.519 -27.164 -0.142 176 H71 DT 1 H71 DT 1 27.692 -27.054 -5.313 177 H72 DT 1 H72 DT 1 28.828 -28.236 -4.624 178 H73 DT 1 H73 DT 1 27.143 -28.709 -4.953 179 H6 DT 1 H6 DT 1 25.444 -26.942 -3.829 180 HO5' DT 1 HO5' DT 1 22.572 -26.314 -4.721 181 H5' DT 2 H5' DT 2 19.240 -23.964 -1.575 182 H5'' DT 2 H5'' DT 2 18.725 -22.321 -2.003 183 H4' DT 2 H4' DT 2 17.125 -23.445 -0.480 184 H3' DT 2 H3' DT 2 17.934 -20.830 -0.211 185 H2' DT 2 H2' DT 2 19.591 -21.235 1.429 186 H2'' DT 2 H2'' DT 2 18.184 -20.856 2.473 187 H1' DT 2 H1' DT 2 17.765 -23.196 2.822 188 H3 DT 2 H3 DT 2 20.871 -24.491 5.756 189 H71 DT 2 H71 DT 2 23.714 -22.583 1.792 190 H72 DT 2 H72 DT 2 24.344 -23.936 2.761 191 H73 DT 2 H73 DT 2 23.496 -24.258 1.230 192 H6 DT 2 H6 DT 2 21.115 -22.995 1.194 193 H5' DG 3 H5' DG 3 13.520 -20.846 3.321 194 H5'' DG 3 H5'' DG 3 14.208 -22.287 2.544 195 H4' DG 3 H4' DG 3 12.182 -22.581 1.215 196 H3' DG 3 H3' DG 3 11.564 -19.840 2.029 197 H2' DG 3 H2' DG 3 10.059 -20.443 3.668 198 H2'' DG 3 H2'' DG 3 8.967 -21.024 2.373 199 H1' DG 3 H1' DG 3 9.775 -23.214 2.503 200 H8 DG 3 H8 DG 3 11.050 -21.681 5.866 201 H1 DG 3 H1 DG 3 6.189 -25.837 6.352 202 H21 DG 3 H21 DG 3 5.556 -26.508 4.333 203 H22 DG 3 H22 DG 3 6.325 -25.936 2.870 204 H5' DG 4 H5' DG 4 8.623 -22.688 -0.047 205 H5'' DG 4 H5'' DG 4 7.860 -21.828 -1.400 206 H4' DG 4 H4' DG 4 6.330 -23.465 -0.358 207 H3' DG 4 H3' DG 4 5.681 -20.645 -0.690 208 H2' DG 4 H2' DG 4 4.955 -20.339 1.482 209 H2'' DG 4 H2'' DG 4 3.531 -21.291 0.955 210 H1' DG 4 H1' DG 4 4.534 -23.313 1.811 211 H8 DG 4 H8 DG 4 6.823 -20.688 3.571 212 H1 DG 4 H1 DG 4 2.523 -23.614 7.328 213 H21 DG 4 H21 DG 4 1.218 -24.933 6.088 214 H22 DG 4 H22 DG 4 1.415 -25.087 4.360 215 H5' DG 5 H5' DG 5 2.167 -23.985 -0.490 216 H5'' DG 5 H5'' DG 5 1.031 -23.445 -1.745 217 H4' DG 5 H4' DG 5 -0.145 -24.401 0.209 218 H3' DG 5 H3' DG 5 -0.604 -21.653 -0.738 219 H2' DG 5 H2' DG 5 -0.794 -20.722 1.340 220 H2'' DG 5 H2'' DG 5 -2.254 -21.738 1.535 221 H1' DG 5 H1' DG 5 -0.971 -23.385 2.720 222 H8 DG 5 H8 DG 5 1.693 -20.539 2.466 223 H1 DG 5 H1 DG 5 -0.525 -21.772 8.356 224 H21 DG 5 H21 DG 5 -2.104 -23.331 8.264 225 H22 DG 5 H22 DG 5 -2.610 -24.067 6.761 226 H5' DT 6 H5' DT 6 -2.041 -25.409 -2.460 227 H5'' DT 6 H5'' DT 6 -3.670 -25.592 -1.779 228 H4' DT 6 H4' DT 6 -3.233 -27.949 -1.296 229 H3' DT 6 H3' DT 6 -0.459 -27.297 -1.591 230 H2' DT 6 H2' DT 6 -0.386 -27.678 -3.893 231 H2'' DT 6 H2'' DT 6 -0.311 -29.417 -3.463 232 H1' DT 6 H1' DT 6 -2.647 -29.673 -3.617 233 H3 DT 6 H3 DT 6 -3.365 -30.223 -7.988 234 H71 DT 6 H71 DT 6 -2.136 -25.146 -7.615 235 H72 DT 6 H72 DT 6 -0.506 -25.838 -7.789 236 H73 DT 6 H73 DT 6 -1.706 -26.053 -9.085 237 H6 DT 6 H6 DT 6 -1.543 -26.595 -5.417 238 H5' DG 7 H5' DG 7 1.926 -27.988 1.976 239 H5'' DG 7 H5'' DG 7 2.496 -29.453 1.150 240 H4' DG 7 H4' DG 7 0.681 -30.756 2.117 241 H3' DG 7 H3' DG 7 -0.829 -28.503 2.357 242 H2' DG 7 H2' DG 7 0.459 -27.418 4.002 243 H2'' DG 7 H2'' DG 7 -0.876 -28.298 4.813 244 H1' DG 7 H1' DG 7 0.904 -29.952 5.555 245 H8 DG 7 H8 DG 7 3.502 -27.851 3.614 246 H1 DG 7 H1 DG 7 3.710 -27.215 9.994 247 H21 DG 7 H21 DG 7 1.993 -28.289 10.915 248 H22 DG 7 H22 DG 7 0.809 -29.155 9.967 249 H5' DG 8 H5' DG 8 -4.677 -29.331 6.031 250 H5'' DG 8 H5'' DG 8 -3.802 -27.840 5.632 251 H4' DG 8 H4' DG 8 -3.506 -29.560 8.113 252 H3' DG 8 H3' DG 8 -4.902 -27.046 7.562 253 H2' DG 8 H2' DG 8 -3.203 -25.688 8.314 254 H2'' DG 8 H2'' DG 8 -3.507 -26.312 9.966 255 H1' DG 8 H1' DG 8 -1.875 -27.974 9.769 256 H8 DG 8 H8 DG 8 -0.117 -26.860 6.708 257 H1 DG 8 H1 DG 8 1.607 -23.384 11.810 258 H21 DG 8 H21 DG 8 0.199 -23.762 13.495 259 H22 DG 8 H22 DG 8 -1.153 -24.861 13.358 260 H5' DG 9 H5' DG 9 -4.306 -27.849 12.086 261 H5'' DG 9 H5'' DG 9 -5.901 -27.595 12.824 262 H4' DG 9 H4' DG 9 -4.057 -26.570 14.136 263 H3' DG 9 H3' DG 9 -6.461 -25.205 13.340 264 H2' DG 9 H2' DG 9 -5.379 -23.484 12.213 265 H2'' DG 9 H2'' DG 9 -5.092 -22.841 13.862 266 H1' DG 9 H1' DG 9 -2.932 -23.887 13.949 267 H8 DG 9 H8 DG 9 -3.722 -23.834 10.106 268 H1 DG 9 H1 DG 9 0.882 -19.833 12.100 269 H21 DG 9 H21 DG 9 1.079 -19.947 14.311 270 H22 DG 9 H22 DG 9 0.084 -21.002 15.289 271 H5' DT 10 H5' DT 10 -6.212 -25.508 17.783 272 H5'' DT 10 H5'' DT 10 -4.934 -24.834 18.814 273 H4' DT 10 H4' DT 10 -4.367 -27.070 19.623 274 H3' DT 10 H3' DT 10 -5.645 -28.078 17.326 275 H2' DT 10 H2' DT 10 -7.828 -27.886 18.167 276 H2'' DT 10 H2'' DT 10 -7.401 -29.513 18.788 277 H1' DT 10 H1' DT 10 -6.781 -28.536 20.932 278 H3 DT 10 H3 DT 10 -10.690 -27.916 22.999 279 H71 DT 10 H71 DT 10 -11.256 -25.194 18.557 280 H72 DT 10 H72 DT 10 -12.061 -24.641 20.045 281 H73 DT 10 H73 DT 10 -10.485 -23.957 19.579 282 H6 DT 10 H6 DT 10 -8.720 -25.941 19.085 283 H5' DG 11 H5' DG 11 -2.180 -28.648 15.283 284 H5'' DG 11 H5'' DG 11 -1.911 -30.152 16.185 285 H4' DG 11 H4' DG 11 -0.603 -28.978 17.857 286 H3' DG 11 H3' DG 11 -1.888 -26.585 16.864 287 H2' DG 11 H2' DG 11 -0.195 -25.950 15.432 288 H2'' DG 11 H2'' DG 11 0.780 -25.544 16.877 289 H1' DG 11 H1' DG 11 1.852 -27.599 16.906 290 H8 DG 11 H8 DG 11 0.694 -28.690 13.497 291 H1 DG 11 H1 DG 11 5.867 -24.901 13.287 292 H21 DG 11 H21 DG 11 6.221 -23.997 15.295 293 H22 DG 11 H22 DG 11 5.189 -24.328 16.667 294 H5' DG 12 H5' DG 12 1.658 -24.889 19.788 295 H5'' DG 12 H5'' DG 12 0.612 -23.809 20.729 296 H4' DG 12 H4' DG 12 2.675 -22.680 19.960 297 H3' DG 12 H3' DG 12 -0.006 -21.674 19.450 298 H2' DG 12 H2' DG 12 0.320 -21.309 17.194 299 H2'' DG 12 H2'' DG 12 1.302 -19.928 17.773 300 H1' DG 12 H1' DG 12 3.320 -21.276 17.565 301 H8 DG 12 H8 DG 12 0.754 -23.453 15.561 302 H1 DG 12 H1 DG 12 5.264 -20.536 12.056 303 H21 DG 12 H21 DG 12 6.535 -19.259 13.357 304 H22 DG 12 H22 DG 12 6.278 -19.126 15.082 305 H5' DG 13 H5' DG 13 4.010 -19.220 19.511 306 H5'' DG 13 H5'' DG 13 3.642 -17.847 20.575 307 H4' DG 13 H4' DG 13 5.413 -17.307 18.937 308 H3' DG 13 H3' DG 13 3.123 -15.697 19.416 309 H2' DG 13 H2' DG 13 2.201 -15.918 17.285 310 H2'' DG 13 H2'' DG 13 3.376 -14.615 16.919 311 H1' DG 13 H1' DG 13 4.959 -16.237 16.086 312 H8 DG 13 H8 DG 13 1.487 -18.042 16.155 313 H1 DG 13 H1 DG 13 4.121 -17.274 10.359 314 H21 DG 13 H21 DG 13 6.057 -16.201 10.538 315 H22 DG 13 H22 DG 13 6.703 -15.679 12.077 316 H5' DT 14 H5' DT 14 5.794 -16.795 22.432 317 H5'' DT 14 H5'' DT 14 7.164 -15.667 22.398 318 H4' DT 14 H4' DT 14 8.601 -17.397 21.433 319 H3' DT 14 H3' DT 14 6.134 -18.791 20.841 320 H2' DT 14 H2' DT 14 6.138 -20.068 22.778 321 H2'' DT 14 H2'' DT 14 7.437 -21.023 21.997 322 H1' DT 14 H1' DT 14 9.133 -19.729 23.021 323 H3 DT 14 H3 DT 14 9.463 -21.344 27.170 324 H71 DT 14 H71 DT 14 4.898 -18.779 27.256 325 H72 DT 14 H72 DT 14 4.342 -20.365 26.672 326 H73 DT 14 H73 DT 14 5.119 -20.226 28.268 327 H6 DT 14 H6 DT 14 5.880 -19.209 24.783 328 H5' DG 15 H5' DG 15 9.001 -20.825 18.016 329 H5'' DG 15 H5'' DG 15 10.593 -21.530 18.365 330 H4' DG 15 H4' DG 15 11.641 -19.959 16.786 331 H3' DG 15 H3' DG 15 9.288 -18.423 16.996 332 H2' DG 15 H2' DG 15 8.003 -19.678 15.505 333 H2'' DG 15 H2'' DG 15 8.889 -18.433 14.569 334 H1' DG 15 H1' DG 15 10.453 -20.356 13.872 335 H8 DG 15 H8 DG 15 7.643 -22.309 15.755 336 H1 DG 15 H1 DG 15 8.273 -23.650 9.516 337 H21 DG 15 H21 DG 15 9.859 -22.380 8.620 338 H22 DG 15 H22 DG 15 10.760 -21.206 9.553 339 H5' DG 16 H5' DG 16 12.420 -16.964 13.356 340 H5'' DG 16 H5'' DG 16 12.237 -15.206 13.517 341 H4' DG 16 H4' DG 16 12.548 -15.982 11.157 342 H3' DG 16 H3' DG 16 10.727 -14.039 12.034 343 H2' DG 16 H2' DG 16 8.798 -15.343 11.757 344 H2'' DG 16 H2'' DG 16 8.999 -14.552 10.161 345 H1' DG 16 H1' DG 16 10.014 -16.671 9.331 346 H8 DG 16 H8 DG 16 8.196 -17.514 12.693 347 H1 DG 16 H1 DG 16 6.200 -20.762 7.534 348 H21 DG 16 H21 DG 16 7.369 -20.147 5.749 349 H22 DG 16 H22 DG 16 8.636 -18.944 5.825 350 H5' DG 17 H5' DG 17 11.244 -15.079 7.422 351 H5'' DG 17 H5'' DG 17 11.355 -13.511 6.596 352 H4' DG 17 H4' DG 17 10.334 -15.229 5.155 353 H3' DG 17 H3' DG 17 9.165 -12.673 5.648 354 H2' DG 17 H2' DG 17 7.235 -13.506 6.664 355 H2'' DG 17 H2'' DG 17 6.862 -13.548 4.913 356 H1' DG 17 H1' DG 17 7.461 -16.007 4.970 357 H8 DG 17 H8 DG 17 7.015 -15.057 8.754 358 H1 DG 17 H1 DG 17 2.856 -19.344 6.409 359 H21 DG 17 H21 DG 17 3.249 -19.680 4.247 360 H22 DG 17 H22 DG 17 4.528 -18.854 3.387 361 H5' DT 18 H5' DT 18 7.776 -15.559 2.063 362 H5'' DT 18 H5'' DT 18 7.821 -14.443 0.682 363 H4' DT 18 H4' DT 18 6.186 -16.232 0.310 364 H3' DT 18 H3' DT 18 5.600 -13.514 -0.012 365 HO3' DT 18 HO3' DT 18 3.979 -15.775 -0.688 366 H2' DT 18 H2' DT 18 4.306 -13.352 1.937 367 H2'' DT 18 H2'' DT 18 3.124 -13.705 0.636 368 H1' DT 18 H1' DT 18 3.241 -16.126 1.326 369 H3 DT 18 H3 DT 18 0.825 -16.704 5.032 370 H71 DT 18 H71 DT 18 3.756 -12.512 6.156 371 H72 DT 18 H72 DT 18 3.260 -13.619 7.459 372 H73 DT 18 H73 DT 18 4.857 -13.804 6.694 373 H6 DT 18 H6 DT 18 4.603 -13.916 4.016 Start of MODEL 6 1 H1 SER 1 HT1 SER 1 15.590 -39.621 23.482 2 H2 SER 1 HT2 SER 1 16.503 -38.214 23.756 3 H3 SER 1 HT3 SER 1 15.772 -38.474 22.245 4 HA SER 1 HA SER 1 13.576 -38.508 23.524 5 HB2 SER 1 HB3 SER 1 15.570 -37.722 25.560 6 HB3 SER 1 HB2 SER 1 14.136 -36.703 25.496 7 HG SER 1 HG SER 1 13.986 -38.613 26.866 8 H MET 2 H MET 2 14.143 -37.490 21.257 9 HA MET 2 HA MET 2 13.841 -34.571 21.568 10 HB2 MET 2 HB3 MET 2 16.157 -35.665 20.639 11 HB3 MET 2 HB2 MET 2 15.254 -35.461 19.137 12 HG2 MET 2 HG3 MET 2 16.362 -33.393 19.405 13 HG3 MET 2 HG2 MET 2 14.737 -33.078 20.012 14 HE1 MET 2 HE1 MET 2 17.035 -31.178 20.663 15 HE2 MET 2 HE2 MET 2 18.241 -32.455 20.522 16 HE3 MET 2 HE3 MET 2 18.091 -31.557 22.031 17 H HIS 3 H HIS 3 11.677 -34.517 21.127 18 HA HIS 3 HA HIS 3 10.801 -35.673 18.551 19 HB2 HIS 3 HB3 HIS 3 8.804 -34.798 20.572 20 HB3 HIS 3 HB2 HIS 3 8.769 -36.180 19.478 21 HD2 HIS 3 HD2 HIS 3 9.361 -38.554 20.757 22 HE1 HIS 3 HE1 HIS 3 11.376 -36.949 24.102 23 HE2 HIS 3 HE2 HIS 3 10.533 -39.091 23.029 24 HA PRO 4 HA PRO 4 10.050 -31.847 16.559 25 HB2 PRO 4 HB3 PRO 4 7.158 -32.631 16.583 26 HB3 PRO 4 HB2 PRO 4 8.153 -32.043 15.238 27 HG2 PRO 4 HG3 PRO 4 7.535 -34.638 15.546 28 HG3 PRO 4 HG2 PRO 4 9.061 -34.095 14.832 29 HD2 PRO 4 HD3 PRO 4 8.594 -35.389 17.439 30 HD3 PRO 4 HD2 PRO 4 10.105 -35.222 16.521 31 H GLY 5 H GLY 5 8.473 -29.879 16.706 32 HA2 GLY 5 HA3 GLY 5 6.913 -28.661 18.148 33 HA3 GLY 5 HA2 GLY 5 7.668 -29.461 19.523 34 H HIS 6 H HIS 6 10.327 -29.177 19.037 35 HA HIS 6 HA HIS 6 10.682 -26.283 19.365 36 HB2 HIS 6 HB3 HIS 6 12.892 -26.880 20.267 37 HB3 HIS 6 HB2 HIS 6 11.610 -27.760 21.101 38 HD2 HIS 6 HD2 HIS 6 14.895 -28.826 20.270 39 HE1 HIS 6 HE1 HIS 6 12.629 -31.940 18.541 40 HE2 HIS 6 HE2 HIS 6 14.951 -31.252 19.306 41 H LEU 7 H LEU 7 10.607 -28.281 16.840 42 HA LEU 7 HA LEU 7 13.081 -27.607 15.515 43 HB2 LEU 7 HB3 LEU 7 10.660 -29.200 14.899 44 HB3 LEU 7 HB2 LEU 7 11.497 -28.495 13.515 45 HG LEU 7 HG LEU 7 13.537 -29.596 14.056 46 HD11 LEU 7 HD11 LEU 7 13.953 -29.464 16.309 47 HD12 LEU 7 HD12 LEU 7 13.336 -31.115 16.273 48 HD13 LEU 7 HD13 LEU 7 12.274 -29.788 16.744 49 HD21 LEU 7 HD21 LEU 7 11.748 -31.808 14.914 50 HD22 LEU 7 HD22 LEU 7 12.902 -31.748 13.582 51 HD23 LEU 7 HD23 LEU 7 11.313 -31.003 13.405 52 H LYS 8 H LYS 8 13.245 -26.331 13.589 53 HA LYS 8 HA LYS 8 11.086 -24.348 13.234 54 HB2 LYS 8 HB3 LYS 8 12.959 -23.430 14.630 55 HB3 LYS 8 HB2 LYS 8 14.039 -23.682 13.261 56 HG2 LYS 8 HG3 LYS 8 11.479 -22.113 12.955 57 HG3 LYS 8 HG2 LYS 8 12.954 -21.340 13.534 58 HD2 LYS 8 HD3 LYS 8 13.736 -22.847 11.283 59 HD3 LYS 8 HD2 LYS 8 12.221 -22.068 10.827 60 HE2 LYS 8 HE3 LYS 8 14.040 -20.559 10.288 61 HE3 LYS 8 HE2 LYS 8 13.161 -19.895 11.664 62 HZ1 LYS 8 HZ1 LYS 8 15.177 -21.655 12.562 63 HZ2 LYS 8 HZ2 LYS 8 14.983 -20.000 12.890 64 HZ3 LYS 8 HZ3 LYS 8 15.860 -20.502 11.523 65 H GLY 9 H GLY 9 10.407 -24.353 11.198 66 HA2 GLY 9 HA3 GLY 9 10.843 -23.939 8.863 67 HA3 GLY 9 HA2 GLY 9 12.369 -24.801 9.038 68 H ARG 10 H ARG 10 10.941 -25.600 6.973 69 HA ARG 10 HA ARG 10 8.881 -27.332 7.018 70 HB2 ARG 10 HB3 ARG 10 11.517 -27.896 5.638 71 HB3 ARG 10 HB2 ARG 10 9.952 -28.587 5.209 72 HG2 ARG 10 HG3 ARG 10 9.255 -26.013 5.117 73 HG3 ARG 10 HG2 ARG 10 10.977 -25.813 4.791 74 HD2 ARG 10 HD3 ARG 10 9.067 -27.597 3.255 75 HD3 ARG 10 HD2 ARG 10 9.748 -26.076 2.687 76 HE ARG 10 HE ARG 10 11.841 -27.847 3.421 77 HH11 ARG 10 HH21 ARG 10 9.383 -27.327 1.040 78 HH12 ARG 10 HH22 ARG 10 10.255 -28.119 -0.231 79 HH21 ARG 10 HH11 ARG 10 12.989 -28.886 1.758 80 HH22 ARG 10 HH12 ARG 10 12.295 -29.001 0.175 81 H GLU 11 H GLU 11 11.854 -27.743 8.696 82 HA GLU 11 HA GLU 11 12.183 -30.445 8.989 83 HB2 GLU 11 HB3 GLU 11 12.385 -28.296 11.108 84 HB3 GLU 11 HB2 GLU 11 12.980 -29.943 11.311 85 HG2 GLU 11 HG3 GLU 11 14.213 -29.466 9.033 86 HG3 GLU 11 HG2 GLU 11 13.986 -27.780 9.493 87 H ILE 12 H ILE 12 9.943 -28.395 10.858 88 HA ILE 12 HA ILE 12 8.776 -30.720 12.152 89 HB ILE 12 HB ILE 12 9.060 -28.583 13.373 90 HG12 ILE 12 HG13 ILE 12 6.140 -29.291 12.951 91 HG13 ILE 12 HG12 ILE 12 7.250 -30.243 13.938 92 HG21 ILE 12 HG21 ILE 12 7.426 -26.745 12.799 93 HG22 ILE 12 HG22 ILE 12 7.065 -27.614 11.307 94 HG23 ILE 12 HG23 ILE 12 8.690 -26.991 11.593 95 HD11 ILE 12 HD11 ILE 12 5.816 -28.501 15.171 96 HD12 ILE 12 HD12 ILE 12 6.840 -27.286 14.405 97 HD13 ILE 12 HD13 ILE 12 7.549 -28.476 15.498 98 H GLY 13 H GLY 13 8.121 -28.656 9.432 99 HA2 GLY 13 HA3 GLY 13 5.341 -29.326 9.174 100 HA3 GLY 13 HA2 GLY 13 6.340 -28.534 7.961 101 H MET 14 H MET 14 8.284 -30.910 8.374 102 HA MET 14 HA MET 14 6.902 -32.683 6.463 103 HB2 MET 14 HB3 MET 14 9.860 -32.346 7.018 104 HB3 MET 14 HB2 MET 14 9.157 -33.420 5.807 105 HG2 MET 14 HG3 MET 14 8.912 -30.399 5.888 106 HG3 MET 14 HG2 MET 14 9.847 -31.342 4.728 107 HE1 MET 14 HE1 MET 14 5.847 -29.777 4.116 108 HE2 MET 14 HE2 MET 14 7.479 -29.116 4.161 109 HE3 MET 14 HE3 MET 14 6.723 -29.678 5.649 110 H TRP 15 H TRP 15 9.393 -32.988 9.013 111 HA TRP 15 HA TRP 15 9.539 -35.567 9.560 112 HB2 TRP 15 HB3 TRP 15 10.272 -33.551 11.027 113 HB3 TRP 15 HB2 TRP 15 8.747 -33.818 11.872 114 HD1 TRP 15 HD1 TRP 15 8.371 -36.533 12.611 115 HE1 TRP 15 HE1 TRP 15 10.106 -38.090 13.711 116 HE3 TRP 15 HE2 TRP 15 12.673 -34.084 11.358 117 HZ2 TRP 15 HZ2 TRP 15 12.945 -38.272 14.019 118 HZ3 TRP 15 HZ3 TRP 15 14.876 -34.970 12.066 119 HH2 TRP 15 HH2 TRP 15 15.018 -37.058 13.395 120 H TYR 16 H TYR 16 6.719 -33.624 10.541 121 HA TYR 16 HA TYR 16 4.872 -35.713 10.050 122 HB2 TYR 16 HB3 TYR 16 4.459 -36.647 12.112 123 HB3 TYR 16 HB2 TYR 16 6.191 -36.355 12.266 124 HD1 TYR 16 HD1 TYR 16 6.452 -33.529 12.746 125 HD2 TYR 16 HD2 TYR 16 3.429 -36.230 14.166 126 HE1 TYR 16 HE1 TYR 16 6.025 -32.035 14.680 127 HE2 TYR 16 HE2 TYR 16 3.003 -34.737 16.100 128 HH TYR 16 HH TYR 16 3.314 -32.509 16.803 129 H ALA 17 H ALA 17 2.773 -34.980 10.132 130 HA ALA 17 HA ALA 17 2.421 -32.181 11.025 131 HB1 ALA 17 HB1 ALA 17 1.989 -31.910 8.802 132 HB2 ALA 17 HB2 ALA 17 0.398 -32.513 9.267 133 HB3 ALA 17 HB3 ALA 17 1.586 -33.611 8.566 134 H LYS 18 H LYS 18 1.496 -32.372 12.997 135 HA LYS 18 HA LYS 18 -0.302 -34.439 13.746 136 HB2 LYS 18 HB3 LYS 18 1.131 -32.781 15.201 137 HB3 LYS 18 HB2 LYS 18 -0.312 -31.772 15.108 138 HG2 LYS 18 HG3 LYS 18 -1.586 -33.943 15.785 139 HG3 LYS 18 HG2 LYS 18 -0.003 -34.509 16.321 140 HD2 LYS 18 HD3 LYS 18 -1.265 -31.896 17.196 141 HD3 LYS 18 HD2 LYS 18 -1.307 -33.384 18.140 142 HE2 LYS 18 HE3 LYS 18 0.588 -32.430 19.047 143 HE3 LYS 18 HE2 LYS 18 1.325 -33.297 17.699 144 HZ1 LYS 18 HZ1 LYS 18 1.982 -31.382 16.841 145 HZ2 LYS 18 HZ2 LYS 18 1.342 -30.556 18.181 146 HZ3 LYS 18 HZ3 LYS 18 0.388 -30.804 16.797 147 H LYS 19 H LYS 19 -0.731 -31.226 12.394 148 HA LYS 19 HA LYS 19 -2.748 -30.003 12.148 149 HB2 LYS 19 HB3 LYS 19 -3.915 -30.995 10.187 150 HB3 LYS 19 HB2 LYS 19 -2.163 -30.942 9.985 151 HG2 LYS 19 HG3 LYS 19 -1.973 -33.206 9.977 152 HG3 LYS 19 HG2 LYS 19 -3.162 -33.402 11.266 153 HD2 LYS 19 HD3 LYS 19 -4.021 -34.371 9.185 154 HD3 LYS 19 HD2 LYS 19 -4.978 -32.960 9.632 155 HE2 LYS 19 HE3 LYS 19 -3.954 -31.601 7.985 156 HE3 LYS 19 HE2 LYS 19 -2.621 -32.733 7.761 157 HZ1 LYS 19 HZ1 LYS 19 -5.365 -33.635 7.235 158 HZ2 LYS 19 HZ2 LYS 19 -3.905 -34.153 6.536 159 HZ3 LYS 19 HZ3 LYS 19 -4.588 -32.665 6.081 160 H GLN 20 H GLN 20 -3.320 -30.809 14.497 161 HA GLN 20 HA GLN 20 -5.069 -31.295 15.908 162 HB2 GLN 20 HB3 GLN 20 -6.720 -31.926 13.459 163 HB3 GLN 20 HB2 GLN 20 -7.287 -31.414 15.048 164 HG2 GLN 20 HG3 GLN 20 -6.453 -29.209 14.755 165 HG3 GLN 20 HG2 GLN 20 -5.464 -29.684 13.375 166 HE21 GLN 20 HE21 GLN 20 -8.526 -28.416 14.286 167 HE22 GLN 20 HE22 GLN 20 -9.273 -28.530 12.766 168 H5' DT 1 H5' DT 1 23.357 -18.794 0.008 169 H5'' DT 1 H5'' DT 1 24.791 -19.816 -0.200 170 H4' DT 1 H4' DT 1 22.447 -19.689 -2.124 171 H3' DT 1 H3' DT 1 22.661 -21.201 0.292 172 H2' DT 1 H2' DT 1 24.117 -22.807 -0.577 173 H2'' DT 1 H2'' DT 1 22.599 -23.508 -1.224 174 H1' DT 1 H1' DT 1 22.919 -22.378 -3.324 175 H3 DT 1 H3 DT 1 25.894 -24.845 -5.563 176 H71 DT 1 H71 DT 1 28.781 -22.609 -1.810 177 H72 DT 1 H72 DT 1 28.227 -24.057 -0.939 178 H73 DT 1 H73 DT 1 29.213 -24.228 -2.411 179 H6 DT 1 H6 DT 1 26.120 -22.443 -1.406 180 HO5' DT 1 HO5' DT 1 25.206 -18.685 -2.149 181 H5' DT 2 H5' DT 2 17.588 -20.739 0.353 182 H5'' DT 2 H5'' DT 2 18.729 -22.091 0.205 183 H4' DT 2 H4' DT 2 16.258 -21.682 -1.516 184 H3' DT 2 H3' DT 2 16.325 -22.730 1.107 185 H2' DT 2 H2' DT 2 17.441 -24.715 0.539 186 H2'' DT 2 H2'' DT 2 15.769 -25.253 0.178 187 H1' DT 2 H1' DT 2 16.042 -24.699 -2.146 188 H3 DT 2 H3 DT 2 18.326 -28.104 -3.914 189 H71 DT 2 H71 DT 2 21.916 -25.657 -0.989 190 H72 DT 2 H72 DT 2 21.221 -26.747 0.234 191 H73 DT 2 H73 DT 2 22.010 -27.419 -1.214 192 H6 DT 2 H6 DT 2 19.376 -24.911 -0.478 193 H5' DG 3 H5' DG 3 13.513 -21.275 3.272 194 H5'' DG 3 H5'' DG 3 13.968 -22.778 2.443 195 H4' DG 3 H4' DG 3 11.929 -22.674 1.089 196 H3' DG 3 H3' DG 3 11.751 -19.926 2.023 197 H2' DG 3 H2' DG 3 10.262 -20.367 3.732 198 H2'' DG 3 H2'' DG 3 9.061 -20.594 2.424 199 H1' DG 3 H1' DG 3 9.427 -22.961 2.431 200 H8 DG 3 H8 DG 3 10.798 -21.515 5.804 201 H1 DG 3 H1 DG 3 6.076 -25.826 6.304 202 H21 DG 3 H21 DG 3 5.473 -26.532 4.286 203 H22 DG 3 H22 DG 3 6.229 -25.947 2.822 204 H5' DG 4 H5' DG 4 8.499 -22.375 -0.296 205 H5'' DG 4 H5'' DG 4 7.769 -21.298 -1.503 206 H4' DG 4 H4' DG 4 6.177 -23.004 -0.668 207 H3' DG 4 H3' DG 4 5.636 -20.177 -0.748 208 H2' DG 4 H2' DG 4 5.156 -19.980 1.517 209 H2'' DG 4 H2'' DG 4 3.585 -20.683 1.018 210 H1' DG 4 H1' DG 4 4.365 -22.899 1.608 211 H8 DG 4 H8 DG 4 6.792 -20.466 3.487 212 H1 DG 4 H1 DG 4 2.850 -23.933 7.177 213 H21 DG 4 H21 DG 4 1.533 -25.194 5.886 214 H22 DG 4 H22 DG 4 1.634 -25.174 4.143 215 H5' DG 5 H5' DG 5 2.288 -23.606 -0.307 216 H5'' DG 5 H5'' DG 5 1.127 -23.118 -1.558 217 H4' DG 5 H4' DG 5 0.042 -24.345 0.297 218 H3' DG 5 H3' DG 5 -0.869 -21.853 -0.737 219 H2' DG 5 H2' DG 5 -0.546 -20.644 1.235 220 H2'' DG 5 H2'' DG 5 -2.127 -21.360 1.684 221 H1' DG 5 H1' DG 5 -1.055 -23.146 2.858 222 H8 DG 5 H8 DG 5 1.632 -20.317 2.538 223 H1 DG 5 H1 DG 5 -0.448 -21.550 8.479 224 H21 DG 5 H21 DG 5 -1.993 -23.145 8.428 225 H22 DG 5 H22 DG 5 -2.510 -23.904 6.940 226 H5' DT 6 H5' DT 6 -1.275 -25.881 -0.732 227 H5'' DT 6 H5'' DT 6 -1.296 -25.509 -2.468 228 H4' DT 6 H4' DT 6 -2.878 -27.737 -1.139 229 H3' DT 6 H3' DT 6 -0.115 -27.756 -1.893 230 H2' DT 6 H2' DT 6 -0.500 -28.035 -4.174 231 H2'' DT 6 H2'' DT 6 -0.778 -29.755 -3.758 232 H1' DT 6 H1' DT 6 -3.114 -29.430 -3.568 233 H3 DT 6 H3 DT 6 -4.597 -29.514 -7.780 234 H71 DT 6 H71 DT 6 -0.755 -25.956 -7.933 235 H72 DT 6 H72 DT 6 -2.153 -25.797 -9.022 236 H73 DT 6 H73 DT 6 -2.122 -24.910 -7.479 237 H6 DT 6 H6 DT 6 -1.573 -26.597 -5.446 238 H5' DG 7 H5' DG 7 1.854 -28.233 1.889 239 H5'' DG 7 H5'' DG 7 2.413 -29.704 1.066 240 H4' DG 7 H4' DG 7 0.662 -31.018 2.109 241 H3' DG 7 H3' DG 7 -0.895 -28.790 2.326 242 H2' DG 7 H2' DG 7 0.383 -27.657 3.948 243 H2'' DG 7 H2'' DG 7 -0.825 -28.540 4.934 244 H1' DG 7 H1' DG 7 0.899 -30.167 5.516 245 H8 DG 7 H8 DG 7 3.462 -28.056 3.556 246 H1 DG 7 H1 DG 7 3.608 -27.259 9.916 247 H21 DG 7 H21 DG 7 1.904 -28.328 10.858 248 H22 DG 7 H22 DG 7 0.736 -29.236 9.925 249 H5' DG 8 H5' DG 8 -4.623 -29.333 5.986 250 H5'' DG 8 H5'' DG 8 -3.683 -27.921 5.466 251 H4' DG 8 H4' DG 8 -3.439 -29.450 8.076 252 H3' DG 8 H3' DG 8 -4.672 -26.870 7.320 253 H2' DG 8 H2' DG 8 -3.014 -25.590 8.246 254 H2'' DG 8 H2'' DG 8 -3.384 -26.293 9.850 255 H1' DG 8 H1' DG 8 -1.751 -27.948 9.626 256 H8 DG 8 H8 DG 8 -0.058 -26.772 6.522 257 H1 DG 8 H1 DG 8 1.994 -23.627 11.715 258 H21 DG 8 H21 DG 8 0.649 -24.048 13.439 259 H22 DG 8 H22 DG 8 -0.745 -25.093 13.308 260 H5' DG 9 H5' DG 9 -4.207 -27.840 11.690 261 H5'' DG 9 H5'' DG 9 -5.795 -27.678 12.466 262 H4' DG 9 H4' DG 9 -3.952 -26.888 13.916 263 H3' DG 9 H3' DG 9 -6.328 -25.411 13.374 264 H2' DG 9 H2' DG 9 -5.252 -23.625 12.316 265 H2'' DG 9 H2'' DG 9 -4.943 -23.071 13.992 266 H1' DG 9 H1' DG 9 -2.799 -24.111 14.024 267 H8 DG 9 H8 DG 9 -3.571 -23.827 10.189 268 H1 DG 9 H1 DG 9 0.921 -19.847 12.460 269 H21 DG 9 H21 DG 9 1.103 -20.087 14.665 270 H22 DG 9 H22 DG 9 0.126 -21.222 15.568 271 H5' DT 10 H5' DT 10 -7.705 -26.226 17.032 272 H5'' DT 10 H5'' DT 10 -7.941 -25.120 18.401 273 H4' DT 10 H4' DT 10 -6.349 -26.486 19.740 274 H3' DT 10 H3' DT 10 -5.724 -27.755 17.238 275 H2' DT 10 H2' DT 10 -7.397 -29.366 17.377 276 H2'' DT 10 H2'' DT 10 -6.348 -30.212 18.558 277 H1' DT 10 H1' DT 10 -7.338 -29.173 20.396 278 H3 DT 10 H3 DT 10 -11.012 -31.610 21.107 279 H71 DT 10 H71 DT 10 -12.163 -28.967 16.734 280 H72 DT 10 H72 DT 10 -11.354 -30.384 16.025 281 H73 DT 10 H73 DT 10 -12.837 -30.595 16.987 282 H6 DT 10 H6 DT 10 -9.549 -28.926 17.398 283 H5' DG 11 H5' DG 11 -2.167 -28.426 15.377 284 H5'' DG 11 H5'' DG 11 -2.141 -29.961 16.269 285 H4' DG 11 H4' DG 11 -0.701 -29.043 17.960 286 H3' DG 11 H3' DG 11 -1.743 -26.495 17.252 287 H2' DG 11 H2' DG 11 -0.212 -26.054 15.553 288 H2'' DG 11 H2'' DG 11 0.498 -25.530 17.113 289 H1' DG 11 H1' DG 11 1.884 -27.713 16.968 290 H8 DG 11 H8 DG 11 0.634 -28.860 13.620 291 H1 DG 11 H1 DG 11 5.808 -25.092 13.189 292 H21 DG 11 H21 DG 11 6.212 -24.130 15.149 293 H22 DG 11 H22 DG 11 5.214 -24.415 16.557 294 H5' DG 12 H5' DG 12 2.251 -25.042 19.862 295 H5'' DG 12 H5'' DG 12 1.283 -23.977 20.899 296 H4' DG 12 H4' DG 12 3.241 -22.801 19.991 297 H3' DG 12 H3' DG 12 0.511 -21.860 19.590 298 H2' DG 12 H2' DG 12 0.745 -21.499 17.322 299 H2'' DG 12 H2'' DG 12 1.798 -20.113 17.742 300 H1' DG 12 H1' DG 12 3.755 -21.421 17.590 301 H8 DG 12 H8 DG 12 1.147 -23.620 15.657 302 H1 DG 12 H1 DG 12 5.557 -20.677 12.044 303 H21 DG 12 H21 DG 12 6.855 -19.399 13.320 304 H22 DG 12 H22 DG 12 6.636 -19.272 15.050 305 H5' DG 13 H5' DG 13 4.411 -19.137 19.406 306 H5'' DG 13 H5'' DG 13 3.980 -17.771 20.455 307 H4' DG 13 H4' DG 13 5.551 -17.104 18.672 308 H3' DG 13 H3' DG 13 3.123 -15.736 19.256 309 H2' DG 13 H2' DG 13 2.115 -16.174 17.191 310 H2'' DG 13 H2'' DG 13 3.078 -14.738 16.719 311 H1' DG 13 H1' DG 13 4.850 -16.180 15.891 312 H8 DG 13 H8 DG 13 1.554 -18.294 16.025 313 H1 DG 13 H1 DG 13 4.130 -17.466 10.210 314 H21 DG 13 H21 DG 13 5.981 -16.239 10.369 315 H22 DG 13 H22 DG 13 6.575 -15.630 11.896 316 H5' DT 14 H5' DT 14 7.401 -15.046 17.467 317 H5'' DT 14 H5'' DT 14 7.689 -16.798 17.458 318 H4' DT 14 H4' DT 14 9.792 -15.485 17.534 319 H3' DT 14 H3' DT 14 9.115 -17.597 19.406 320 H2' DT 14 H2' DT 14 9.561 -16.358 21.309 321 H2'' DT 14 H2'' DT 14 11.314 -16.362 20.943 322 H1' DT 14 H1' DT 14 11.317 -14.472 19.731 323 H3 DT 14 H3 DT 14 11.638 -11.453 23.004 324 H71 DT 14 H71 DT 14 6.602 -12.885 23.165 325 H72 DT 14 H72 DT 14 7.296 -14.105 24.259 326 H73 DT 14 H73 DT 14 7.422 -12.375 24.660 327 H6 DT 14 H6 DT 14 8.186 -14.556 21.758 328 H5' DG 15 H5' DG 15 9.525 -21.071 17.884 329 H5'' DG 15 H5'' DG 15 11.211 -21.540 18.182 330 H4' DG 15 H4' DG 15 12.010 -19.843 16.644 331 H3' DG 15 H3' DG 15 9.667 -18.421 17.096 332 H2' DG 15 H2' DG 15 8.267 -19.785 15.782 333 H2'' DG 15 H2'' DG 15 8.793 -18.642 14.506 334 H1' DG 15 H1' DG 15 10.475 -20.148 13.754 335 H8 DG 15 H8 DG 15 8.013 -22.317 15.888 336 H1 DG 15 H1 DG 15 8.211 -23.626 9.612 337 H21 DG 15 H21 DG 15 9.650 -22.275 8.597 338 H22 DG 15 H22 DG 15 10.558 -21.053 9.459 339 H5' DG 16 H5' DG 16 12.512 -16.806 13.241 340 H5'' DG 16 H5'' DG 16 12.203 -15.066 13.404 341 H4' DG 16 H4' DG 16 12.572 -15.839 11.040 342 H3' DG 16 H3' DG 16 10.659 -13.987 11.916 343 H2' DG 16 H2' DG 16 8.790 -15.370 11.637 344 H2'' DG 16 H2'' DG 16 8.996 -14.545 10.060 345 H1' DG 16 H1' DG 16 10.060 -16.668 9.222 346 H8 DG 16 H8 DG 16 8.333 -17.578 12.616 347 H1 DG 16 H1 DG 16 6.371 -20.903 7.493 348 H21 DG 16 H21 DG 16 7.488 -20.240 5.686 349 H22 DG 16 H22 DG 16 8.706 -18.987 5.743 350 H5' DG 17 H5' DG 17 11.181 -14.848 7.262 351 H5'' DG 17 H5'' DG 17 11.230 -13.250 6.492 352 H4' DG 17 H4' DG 17 10.218 -14.965 5.025 353 H3' DG 17 H3' DG 17 8.991 -12.442 5.643 354 H2' DG 17 H2' DG 17 7.037 -13.339 6.511 355 H2'' DG 17 H2'' DG 17 6.870 -13.292 4.725 356 H1' DG 17 H1' DG 17 7.410 -15.828 4.828 357 H8 DG 17 H8 DG 17 6.999 -15.039 8.645 358 H1 DG 17 H1 DG 17 2.653 -19.026 6.124 359 H21 DG 17 H21 DG 17 2.999 -19.245 3.936 360 H22 DG 17 H22 DG 17 4.292 -18.411 3.105 361 H5' DT 18 H5' DT 18 6.917 -16.989 2.448 362 H5'' DT 18 H5'' DT 18 7.335 -16.081 0.983 363 H4' DT 18 H4' DT 18 4.992 -16.723 0.915 364 H3' DT 18 H3' DT 18 5.784 -13.911 0.906 365 HO3' DT 18 HO3' DT 18 4.252 -13.932 -0.811 366 H2' DT 18 H2' DT 18 4.238 -13.264 2.465 367 H2'' DT 18 H2'' DT 18 3.040 -13.523 1.159 368 H1' DT 18 H1' DT 18 2.626 -15.773 1.955 369 H3 DT 18 H3 DT 18 0.019 -15.427 5.562 370 H71 DT 18 H71 DT 18 3.954 -12.136 6.615 371 H72 DT 18 H72 DT 18 3.134 -12.987 7.944 372 H73 DT 18 H73 DT 18 4.640 -13.646 7.261 373 H6 DT 18 H6 DT 18 4.445 -13.834 4.578 Start of MODEL 7 1 H1 SER 1 HT1 SER 1 5.585 -36.100 23.366 2 H2 SER 1 HT2 SER 1 5.137 -34.525 23.818 3 H3 SER 1 HT3 SER 1 6.016 -35.503 24.894 4 HA SER 1 HA SER 1 6.980 -33.748 22.911 5 HB2 SER 1 HB3 SER 1 7.802 -35.061 25.348 6 HB3 SER 1 HB2 SER 1 9.086 -35.174 24.148 7 HG SER 1 HG SER 1 7.771 -32.861 25.130 8 H MET 2 H MET 2 9.346 -34.631 22.061 9 HA MET 2 HA MET 2 9.852 -37.109 21.112 10 HB2 MET 2 HB3 MET 2 7.465 -36.014 19.799 11 HB3 MET 2 HB2 MET 2 8.704 -36.562 18.670 12 HG2 MET 2 HG3 MET 2 8.569 -38.763 19.371 13 HG3 MET 2 HG2 MET 2 8.041 -38.326 20.995 14 HE1 MET 2 HE1 MET 2 6.943 -40.017 17.884 15 HE2 MET 2 HE2 MET 2 5.425 -40.478 18.649 16 HE3 MET 2 HE3 MET 2 6.936 -40.642 19.539 17 H HIS 3 H HIS 3 9.333 -33.844 19.801 18 HA HIS 3 HA HIS 3 12.029 -33.209 19.501 19 HB2 HIS 3 HB3 HIS 3 11.084 -35.012 17.467 20 HB3 HIS 3 HB2 HIS 3 11.478 -33.457 16.735 21 HD2 HIS 3 HD2 HIS 3 14.157 -32.603 18.307 22 HE1 HIS 3 HE1 HIS 3 15.601 -36.483 17.483 23 HE2 HIS 3 HE2 HIS 3 16.268 -34.135 18.183 24 HA PRO 4 HA PRO 4 9.165 -30.405 16.553 25 HB2 PRO 4 HB3 PRO 4 6.650 -31.251 17.935 26 HB3 PRO 4 HB2 PRO 4 6.898 -30.760 16.249 27 HG2 PRO 4 HG3 PRO 4 6.597 -33.322 16.941 28 HG3 PRO 4 HG2 PRO 4 7.663 -32.824 15.618 29 HD2 PRO 4 HD3 PRO 4 8.378 -33.840 18.314 30 HD3 PRO 4 HD2 PRO 4 9.315 -33.886 16.804 31 H GLY 5 H GLY 5 7.928 -28.411 17.281 32 HA2 GLY 5 HA3 GLY 5 7.208 -26.931 18.999 33 HA3 GLY 5 HA2 GLY 5 8.044 -27.936 20.179 34 H HIS 6 H HIS 6 10.548 -28.172 19.154 35 HA HIS 6 HA HIS 6 11.544 -25.415 19.369 36 HB2 HIS 6 HB3 HIS 6 13.462 -27.663 19.366 37 HB3 HIS 6 HB2 HIS 6 13.362 -26.263 20.435 38 HD2 HIS 6 HD2 HIS 6 12.746 -27.168 22.960 39 HE1 HIS 6 HE1 HIS 6 10.151 -30.315 21.872 40 HE2 HIS 6 HE2 HIS 6 11.194 -29.079 23.830 41 H LEU 7 H LEU 7 10.749 -27.537 16.987 42 HA LEU 7 HA LEU 7 13.034 -27.087 15.247 43 HB2 LEU 7 HB3 LEU 7 10.461 -28.612 15.051 44 HB3 LEU 7 HB2 LEU 7 11.348 -28.215 13.579 45 HG LEU 7 HG LEU 7 13.345 -29.319 14.423 46 HD11 LEU 7 HD11 LEU 7 13.191 -30.552 16.623 47 HD12 LEU 7 HD12 LEU 7 11.682 -29.691 16.930 48 HD13 LEU 7 HD13 LEU 7 13.193 -28.794 16.775 49 HD21 LEU 7 HD21 LEU 7 12.070 -31.636 15.040 50 HD22 LEU 7 HD22 LEU 7 12.208 -31.021 13.392 51 HD23 LEU 7 HD23 LEU 7 10.736 -30.734 14.321 52 H LYS 8 H LYS 8 12.771 -26.115 13.107 53 HA LYS 8 HA LYS 8 10.543 -24.247 12.798 54 HB2 LYS 8 HB3 LYS 8 11.961 -22.307 12.546 55 HB3 LYS 8 HB2 LYS 8 12.308 -23.046 14.109 56 HG2 LYS 8 HG3 LYS 8 14.474 -22.917 13.412 57 HG3 LYS 8 HG2 LYS 8 14.071 -24.383 12.518 58 HD2 LYS 8 HD3 LYS 8 15.020 -22.964 10.881 59 HD3 LYS 8 HD2 LYS 8 13.281 -22.787 10.642 60 HE2 LYS 8 HE3 LYS 8 13.774 -20.557 10.759 61 HE3 LYS 8 HE2 LYS 8 13.692 -20.855 12.495 62 HZ1 LYS 8 HZ1 LYS 8 16.082 -21.270 12.489 63 HZ2 LYS 8 HZ2 LYS 8 15.725 -19.708 11.922 64 HZ3 LYS 8 HZ3 LYS 8 16.147 -20.937 10.827 65 H GLY 9 H GLY 9 9.889 -24.289 10.750 66 HA2 GLY 9 HA3 GLY 9 10.368 -23.949 8.399 67 HA3 GLY 9 HA2 GLY 9 11.867 -24.843 8.628 68 H ARG 10 H ARG 10 11.235 -26.224 6.877 69 HA ARG 10 HA ARG 10 8.851 -27.744 6.838 70 HB2 ARG 10 HB3 ARG 10 11.522 -28.547 5.665 71 HB3 ARG 10 HB2 ARG 10 9.923 -29.079 5.145 72 HG2 ARG 10 HG3 ARG 10 9.639 -26.367 4.991 73 HG3 ARG 10 HG2 ARG 10 11.343 -26.550 4.577 74 HD2 ARG 10 HD3 ARG 10 9.020 -27.973 3.250 75 HD3 ARG 10 HD2 ARG 10 9.984 -26.678 2.548 76 HE ARG 10 HE ARG 10 11.790 -28.663 3.235 77 HH11 ARG 10 HH21 ARG 10 8.965 -28.337 1.259 78 HH12 ARG 10 HH22 ARG 10 9.470 -29.524 0.103 79 HH21 ARG 10 HH11 ARG 10 12.456 -30.220 1.720 80 HH22 ARG 10 HH12 ARG 10 11.445 -30.590 0.363 81 H GLU 11 H GLU 11 11.765 -28.041 8.663 82 HA GLU 11 HA GLU 11 12.008 -30.723 9.198 83 HB2 GLU 11 HB3 GLU 11 12.221 -28.419 11.152 84 HB3 GLU 11 HB2 GLU 11 12.809 -30.054 11.461 85 HG2 GLU 11 HG3 GLU 11 14.191 -29.843 9.343 86 HG3 GLU 11 HG2 GLU 11 13.751 -28.136 9.317 87 H ILE 12 H ILE 12 9.792 -28.435 10.795 88 HA ILE 12 HA ILE 12 8.479 -30.635 12.201 89 HB ILE 12 HB ILE 12 8.941 -28.480 13.361 90 HG12 ILE 12 HG13 ILE 12 5.988 -29.077 12.986 91 HG13 ILE 12 HG12 ILE 12 7.068 -29.987 14.042 92 HG21 ILE 12 HG21 ILE 12 8.481 -27.110 11.255 93 HG22 ILE 12 HG22 ILE 12 7.784 -26.479 12.746 94 HG23 ILE 12 HG23 ILE 12 6.765 -27.341 11.593 95 HD11 ILE 12 HD11 ILE 12 6.959 -27.013 14.356 96 HD12 ILE 12 HD12 ILE 12 7.264 -28.256 15.569 97 HD13 ILE 12 HD13 ILE 12 5.622 -27.971 14.993 98 H GLY 13 H GLY 13 8.031 -28.572 9.442 99 HA2 GLY 13 HA3 GLY 13 5.219 -28.925 9.131 100 HA3 GLY 13 HA2 GLY 13 6.341 -28.389 7.884 101 H MET 14 H MET 14 7.754 -31.096 8.869 102 HA MET 14 HA MET 14 6.223 -32.809 7.003 103 HB2 MET 14 HB3 MET 14 9.205 -32.794 7.527 104 HB3 MET 14 HB2 MET 14 8.357 -33.885 6.430 105 HG2 MET 14 HG3 MET 14 8.380 -30.861 6.195 106 HG3 MET 14 HG2 MET 14 9.367 -31.957 5.227 107 HE1 MET 14 HE1 MET 14 5.567 -30.286 4.049 108 HE2 MET 14 HE2 MET 14 7.250 -29.772 3.989 109 HE3 MET 14 HE3 MET 14 6.448 -29.957 5.546 110 H TRP 15 H TRP 15 7.627 -32.469 10.135 111 HA TRP 15 HA TRP 15 7.391 -35.330 10.721 112 HB2 TRP 15 HB3 TRP 15 9.319 -33.770 11.504 113 HB3 TRP 15 HB2 TRP 15 8.165 -33.226 12.722 114 HD1 TRP 15 HD1 TRP 15 7.331 -35.000 14.523 115 HE1 TRP 15 HE1 TRP 15 8.340 -37.232 15.329 116 HE3 TRP 15 HE2 TRP 15 10.687 -35.857 10.770 117 HZ2 TRP 15 HZ2 TRP 15 10.311 -39.129 14.492 118 HZ3 TRP 15 HZ3 TRP 15 12.116 -37.881 10.799 119 HH2 TRP 15 HH2 TRP 15 11.933 -39.517 12.653 120 H TYR 16 H TYR 16 6.000 -32.219 11.702 121 HA TYR 16 HA TYR 16 3.913 -33.689 13.189 122 HB2 TYR 16 HB3 TYR 16 5.481 -31.594 14.034 123 HB3 TYR 16 HB2 TYR 16 4.005 -30.776 13.521 124 HD1 TYR 16 HD1 TYR 16 5.050 -33.852 15.408 125 HD2 TYR 16 HD2 TYR 16 2.265 -30.600 15.058 126 HE1 TYR 16 HE1 TYR 16 3.909 -34.606 17.478 127 HE2 TYR 16 HE2 TYR 16 1.125 -31.354 17.127 128 HH TYR 16 HH TYR 16 2.015 -32.819 19.284 129 H ALA 17 H ALA 17 4.100 -33.141 10.229 130 HA ALA 17 HA ALA 17 1.999 -31.220 9.702 131 HB1 ALA 17 HB1 ALA 17 3.995 -32.625 8.172 132 HB2 ALA 17 HB2 ALA 17 3.036 -31.216 7.716 133 HB3 ALA 17 HB3 ALA 17 2.411 -32.840 7.427 134 H LYS 18 H LYS 18 1.762 -33.978 11.215 135 HA LYS 18 HA LYS 18 -0.119 -35.504 9.717 136 HB2 LYS 18 HB3 LYS 18 -0.664 -36.441 12.052 137 HB3 LYS 18 HB2 LYS 18 0.980 -36.665 11.452 138 HG2 LYS 18 HG3 LYS 18 1.817 -34.872 12.790 139 HG3 LYS 18 HG2 LYS 18 0.191 -34.306 13.173 140 HD2 LYS 18 HD3 LYS 18 -0.102 -36.724 14.174 141 HD3 LYS 18 HD2 LYS 18 1.661 -36.698 14.238 142 HE2 LYS 18 HE3 LYS 18 1.305 -35.697 16.260 143 HE3 LYS 18 HE2 LYS 18 1.109 -34.248 15.273 144 HZ1 LYS 18 HZ1 LYS 18 -1.233 -35.952 15.643 145 HZ2 LYS 18 HZ2 LYS 18 -1.127 -34.261 15.522 146 HZ3 LYS 18 HZ3 LYS 18 -0.725 -35.038 16.978 147 H LYS 19 H LYS 19 -0.419 -32.451 10.776 148 HA LYS 19 HA LYS 19 -2.193 -31.044 11.158 149 HB2 LYS 19 HB3 LYS 19 -3.762 -33.397 10.075 150 HB3 LYS 19 HB2 LYS 19 -4.397 -31.766 10.294 151 HG2 LYS 19 HG3 LYS 19 -3.356 -30.985 8.437 152 HG3 LYS 19 HG2 LYS 19 -1.865 -31.855 8.801 153 HD2 LYS 19 HD3 LYS 19 -2.698 -33.881 7.848 154 HD3 LYS 19 HD2 LYS 19 -4.344 -33.249 7.771 155 HE2 LYS 19 HE3 LYS 19 -3.323 -33.171 5.546 156 HE3 LYS 19 HE2 LYS 19 -3.584 -31.532 6.142 157 HZ1 LYS 19 HZ1 LYS 19 -1.299 -32.220 5.137 158 HZ2 LYS 19 HZ2 LYS 19 -1.022 -32.858 6.686 159 HZ3 LYS 19 HZ3 LYS 19 -1.362 -31.204 6.494 160 H GLN 20 H GLN 20 -4.740 -33.093 11.689 161 HA GLN 20 HA GLN 20 -4.636 -32.612 14.563 162 HB2 GLN 20 HB3 GLN 20 -6.758 -33.605 12.668 163 HB3 GLN 20 HB2 GLN 20 -6.964 -33.708 14.417 164 HG2 GLN 20 HG3 GLN 20 -7.132 -31.431 14.671 165 HG3 GLN 20 HG2 GLN 20 -6.051 -31.094 13.320 166 HE21 GLN 20 HE21 GLN 20 -9.026 -33.115 13.334 167 HE22 GLN 20 HE22 GLN 20 -9.840 -32.183 12.173 168 H5' DT 1 H5' DT 1 9.243 -20.426 -6.454 169 H5'' DT 1 H5'' DT 1 9.379 -21.809 -7.556 170 H4' DT 1 H4' DT 1 11.548 -20.885 -5.643 171 H3' DT 1 H3' DT 1 10.943 -20.015 -8.362 172 H2' DT 1 H2' DT 1 12.285 -21.580 -9.393 173 H2'' DT 1 H2'' DT 1 13.696 -20.691 -8.741 174 H1' DT 1 H1' DT 1 13.817 -22.059 -6.835 175 H3 DT 1 H3 DT 1 15.738 -25.860 -8.176 176 H71 DT 1 H71 DT 1 11.824 -25.225 -11.597 177 H72 DT 1 H72 DT 1 12.353 -26.864 -11.152 178 H73 DT 1 H73 DT 1 10.968 -26.120 -10.319 179 H6 DT 1 H6 DT 1 11.635 -23.676 -9.396 180 HO5' DT 1 HO5' DT 1 9.560 -21.898 -4.721 181 H5' DT 2 H5' DT 2 11.273 -18.850 -4.504 182 H5'' DT 2 H5'' DT 2 12.747 -18.291 -3.688 183 H4' DT 2 H4' DT 2 11.113 -19.195 -2.084 184 H3' DT 2 H3' DT 2 13.842 -20.050 -2.226 185 H2' DT 2 H2' DT 2 13.355 -22.285 -2.682 186 H2'' DT 2 H2'' DT 2 13.066 -22.384 -0.916 187 H1' DT 2 H1' DT 2 10.726 -22.004 -1.208 188 H3 DT 2 H3 DT 2 9.221 -26.058 -2.327 189 H71 DT 2 H71 DT 2 11.396 -24.302 -6.755 190 H72 DT 2 H72 DT 2 12.815 -25.075 -6.011 191 H73 DT 2 H73 DT 2 11.379 -26.049 -6.410 192 H6 DT 2 H6 DT 2 12.109 -22.923 -4.548 193 H5' DG 3 H5' DG 3 13.663 -21.376 2.943 194 H5'' DG 3 H5'' DG 3 13.854 -23.013 2.285 195 H4' DG 3 H4' DG 3 11.732 -22.713 1.013 196 H3' DG 3 H3' DG 3 11.904 -19.953 2.016 197 H2' DG 3 H2' DG 3 10.346 -20.241 3.677 198 H2'' DG 3 H2'' DG 3 9.119 -20.501 2.400 199 H1' DG 3 H1' DG 3 9.381 -22.838 2.491 200 H8 DG 3 H8 DG 3 10.907 -21.279 5.743 201 H1 DG 3 H1 DG 3 6.180 -25.526 6.609 202 H21 DG 3 H21 DG 3 5.505 -26.324 4.651 203 H22 DG 3 H22 DG 3 6.214 -25.814 3.135 204 H5' DG 4 H5' DG 4 8.503 -22.159 -0.406 205 H5'' DG 4 H5'' DG 4 7.842 -20.970 -1.546 206 H4' DG 4 H4' DG 4 6.155 -22.645 -0.866 207 H3' DG 4 H3' DG 4 5.761 -19.788 -0.680 208 H2' DG 4 H2' DG 4 5.160 -19.780 1.556 209 H2'' DG 4 H2'' DG 4 3.596 -20.504 1.067 210 H1' DG 4 H1' DG 4 4.330 -22.681 1.403 211 H8 DG 4 H8 DG 4 6.750 -20.384 3.449 212 H1 DG 4 H1 DG 4 2.880 -24.157 6.902 213 H21 DG 4 H21 DG 4 1.575 -25.345 5.549 214 H22 DG 4 H22 DG 4 1.657 -25.209 3.807 215 H5' DG 5 H5' DG 5 2.452 -23.050 -0.318 216 H5'' DG 5 H5'' DG 5 1.279 -22.593 -1.570 217 H4' DG 5 H4' DG 5 0.210 -23.815 0.287 218 H3' DG 5 H3' DG 5 -0.694 -21.262 -0.685 219 H2' DG 5 H2' DG 5 -0.482 -20.163 1.356 220 H2'' DG 5 H2'' DG 5 -2.046 -20.971 1.695 221 H1' DG 5 H1' DG 5 -0.891 -22.788 2.808 222 H8 DG 5 H8 DG 5 1.542 -19.720 2.725 223 H1 DG 5 H1 DG 5 -0.219 -21.754 8.547 224 H21 DG 5 H21 DG 5 -1.603 -23.481 8.363 225 H22 DG 5 H22 DG 5 -2.091 -24.132 6.815 226 H5' DT 6 H5' DT 6 0.598 -26.494 -0.424 227 H5'' DT 6 H5'' DT 6 0.359 -25.563 -1.916 228 H4' DT 6 H4' DT 6 -1.749 -27.414 -0.768 229 H3' DT 6 H3' DT 6 0.688 -28.262 -2.005 230 H2' DT 6 H2' DT 6 0.021 -27.756 -4.184 231 H2'' DT 6 H2'' DT 6 -0.835 -29.325 -4.060 232 H1' DT 6 H1' DT 6 -2.862 -28.223 -3.389 233 H3 DT 6 H3 DT 6 -4.687 -26.695 -7.166 234 H71 DT 6 H71 DT 6 -0.551 -23.555 -6.489 235 H72 DT 6 H72 DT 6 0.223 -24.881 -7.388 236 H73 DT 6 H73 DT 6 -1.098 -23.953 -8.136 237 H6 DT 6 H6 DT 6 -0.520 -25.773 -4.954 238 H5' DG 7 H5' DG 7 1.058 -29.423 0.722 239 H5'' DG 7 H5'' DG 7 1.939 -30.960 0.831 240 H4' DG 7 H4' DG 7 0.381 -31.613 2.711 241 H3' DG 7 H3' DG 7 -0.841 -29.018 2.084 242 H2' DG 7 H2' DG 7 0.176 -27.882 3.803 243 H2'' DG 7 H2'' DG 7 -0.800 -28.895 4.912 244 H1' DG 7 H1' DG 7 0.999 -30.437 5.175 245 H8 DG 7 H8 DG 7 3.388 -28.112 3.306 246 H1 DG 7 H1 DG 7 3.460 -27.383 9.679 247 H21 DG 7 H21 DG 7 1.803 -28.541 10.596 248 H22 DG 7 H22 DG 7 0.682 -29.489 9.645 249 H5' DG 8 H5' DG 8 -4.914 -28.791 5.584 250 H5'' DG 8 H5'' DG 8 -3.773 -27.548 5.033 251 H4' DG 8 H4' DG 8 -3.832 -28.966 7.716 252 H3' DG 8 H3' DG 8 -4.362 -26.154 6.803 253 H2' DG 8 H2' DG 8 -2.828 -25.271 8.241 254 H2'' DG 8 H2'' DG 8 -3.271 -26.277 9.653 255 H1' DG 8 H1' DG 8 -1.868 -27.899 9.256 256 H8 DG 8 H8 DG 8 -0.085 -26.799 6.194 257 H1 DG 8 H1 DG 8 2.259 -23.977 11.450 258 H21 DG 8 H21 DG 8 0.893 -24.310 13.169 259 H22 DG 8 H22 DG 8 -0.595 -25.218 13.023 260 H5' DG 9 H5' DG 9 -4.081 -27.987 12.293 261 H5'' DG 9 H5'' DG 9 -5.831 -27.799 12.522 262 H4' DG 9 H4' DG 9 -4.554 -26.430 14.122 263 H3' DG 9 H3' DG 9 -6.614 -25.377 12.416 264 H2' DG 9 H2' DG 9 -5.246 -23.807 11.370 265 H2'' DG 9 H2'' DG 9 -5.524 -22.864 12.868 266 H1' DG 9 H1' DG 9 -3.493 -23.716 13.839 267 H8 DG 9 H8 DG 9 -3.421 -23.832 9.918 268 H1 DG 9 H1 DG 9 1.315 -20.534 12.717 269 H21 DG 9 H21 DG 9 1.137 -20.668 14.926 270 H22 DG 9 H22 DG 9 -0.140 -21.569 15.711 271 H5' DT 10 H5' DT 10 -4.427 -28.657 15.634 272 H5'' DT 10 H5'' DT 10 -6.167 -28.691 15.282 273 H4' DT 10 H4' DT 10 -4.931 -27.825 17.919 274 H3' DT 10 H3' DT 10 -5.529 -30.494 16.966 275 H2' DT 10 H2' DT 10 -7.749 -30.473 17.622 276 H2'' DT 10 H2'' DT 10 -7.100 -30.661 19.281 277 H1' DT 10 H1' DT 10 -7.173 -28.296 19.638 278 H3 DT 10 H3 DT 10 -11.459 -27.380 20.494 279 H71 DT 10 H71 DT 10 -12.874 -28.657 16.286 280 H72 DT 10 H72 DT 10 -11.430 -28.251 15.331 281 H73 DT 10 H73 DT 10 -11.672 -29.916 15.914 282 H6 DT 10 H6 DT 10 -9.203 -29.091 16.611 283 H5' DG 11 H5' DG 11 -2.225 -28.460 15.567 284 H5'' DG 11 H5'' DG 11 -1.918 -30.142 16.046 285 H4' DG 11 H4' DG 11 -0.250 -29.367 17.693 286 H3' DG 11 H3' DG 11 -1.371 -26.740 17.191 287 H2' DG 11 H2' DG 11 0.172 -26.124 15.587 288 H2'' DG 11 H2'' DG 11 1.269 -25.959 16.993 289 H1' DG 11 H1' DG 11 2.152 -28.176 16.583 290 H8 DG 11 H8 DG 11 0.737 -28.985 13.283 291 H1 DG 11 H1 DG 11 5.732 -24.996 12.762 292 H21 DG 11 H21 DG 11 6.238 -24.143 14.748 293 H22 DG 11 H22 DG 11 5.349 -24.553 16.199 294 H5' DG 12 H5' DG 12 2.661 -25.661 19.631 295 H5'' DG 12 H5'' DG 12 1.876 -24.648 20.859 296 H4' DG 12 H4' DG 12 3.796 -23.483 19.898 297 H3' DG 12 H3' DG 12 1.099 -22.385 19.751 298 H2' DG 12 H2' DG 12 1.204 -21.848 17.511 299 H2'' DG 12 H2'' DG 12 2.227 -20.568 18.237 300 H1' DG 12 H1' DG 12 4.226 -21.957 17.554 301 H8 DG 12 H8 DG 12 1.323 -23.830 15.695 302 H1 DG 12 H1 DG 12 5.704 -21.020 11.942 303 H21 DG 12 H21 DG 12 7.191 -19.935 13.188 304 H22 DG 12 H22 DG 12 7.108 -19.904 14.934 305 H5' DG 13 H5' DG 13 4.988 -19.595 19.735 306 H5'' DG 13 H5'' DG 13 4.570 -18.262 20.831 307 H4' DG 13 H4' DG 13 6.010 -17.505 18.982 308 H3' DG 13 H3' DG 13 3.564 -16.243 19.707 309 H2' DG 13 H2' DG 13 2.477 -16.705 17.683 310 H2'' DG 13 H2'' DG 13 3.347 -15.221 17.175 311 H1' DG 13 H1' DG 13 5.153 -16.562 16.272 312 H8 DG 13 H8 DG 13 1.976 -18.848 16.470 313 H1 DG 13 H1 DG 13 4.223 -17.643 10.584 314 H21 DG 13 H21 DG 13 6.004 -16.317 10.710 315 H22 DG 13 H22 DG 13 6.634 -15.735 12.233 316 H5' DT 14 H5' DT 14 7.783 -15.844 18.071 317 H5'' DT 14 H5'' DT 14 8.433 -17.366 18.714 318 H4' DT 14 H4' DT 14 10.187 -15.663 18.565 319 H3' DT 14 H3' DT 14 9.470 -16.918 21.116 320 H2' DT 14 H2' DT 14 9.520 -14.957 22.321 321 H2'' DT 14 H2'' DT 14 11.290 -14.975 22.052 322 H1' DT 14 H1' DT 14 11.067 -13.565 20.133 323 H3 DT 14 H3 DT 14 10.287 -9.425 21.608 324 H71 DT 14 H71 DT 14 6.332 -10.597 23.686 325 H72 DT 14 H72 DT 14 5.791 -11.913 22.618 326 H73 DT 14 H73 DT 14 6.685 -12.289 24.111 327 H6 DT 14 H6 DT 14 7.856 -13.549 22.035 328 H5' DG 15 H5' DG 15 8.964 -19.746 17.902 329 H5'' DG 15 H5'' DG 15 10.307 -20.505 18.779 330 H4' DG 15 H4' DG 15 11.902 -19.676 17.135 331 H3' DG 15 H3' DG 15 9.944 -17.752 16.444 332 H2' DG 15 H2' DG 15 8.749 -19.099 14.962 333 H2'' DG 15 H2'' DG 15 10.034 -18.603 13.816 334 H1' DG 15 H1' DG 15 11.260 -20.607 14.221 335 H8 DG 15 H8 DG 15 8.298 -22.206 16.001 336 H1 DG 15 H1 DG 15 8.376 -23.246 9.673 337 H21 DG 15 H21 DG 15 9.924 -21.980 8.710 338 H22 DG 15 H22 DG 15 10.938 -20.882 9.618 339 H5' DG 16 H5' DG 16 12.978 -17.264 12.665 340 H5'' DG 16 H5'' DG 16 13.105 -15.494 12.706 341 H4' DG 16 H4' DG 16 12.539 -16.221 10.455 342 H3' DG 16 H3' DG 16 10.769 -14.471 11.969 343 H2' DG 16 H2' DG 16 8.845 -15.664 11.526 344 H2'' DG 16 H2'' DG 16 9.015 -15.009 9.868 345 H1' DG 16 H1' DG 16 10.138 -17.016 9.156 346 H8 DG 16 H8 DG 16 8.320 -17.853 12.525 347 H1 DG 16 H1 DG 16 6.452 -21.227 7.397 348 H21 DG 16 H21 DG 16 7.626 -20.598 5.612 349 H22 DG 16 H22 DG 16 8.857 -19.358 5.688 350 H5' DG 17 H5' DG 17 10.883 -14.475 7.171 351 H5'' DG 17 H5'' DG 17 10.857 -12.750 6.753 352 H4' DG 17 H4' DG 17 9.661 -14.108 5.080 353 H3' DG 17 H3' DG 17 8.550 -11.809 6.349 354 H2' DG 17 H2' DG 17 6.791 -12.941 7.380 355 H2'' DG 17 H2'' DG 17 6.179 -12.580 5.734 356 H1' DG 17 H1' DG 17 6.782 -14.964 5.127 357 H8 DG 17 H8 DG 17 6.680 -14.677 9.041 358 H1 DG 17 H1 DG 17 2.917 -19.174 6.440 359 H21 DG 17 H21 DG 17 3.174 -19.194 4.230 360 H22 DG 17 H22 DG 17 4.265 -18.104 3.403 361 H5' DT 18 H5' DT 18 6.559 -13.680 2.202 362 H5'' DT 18 H5'' DT 18 6.633 -12.145 1.315 363 H4' DT 18 H4' DT 18 4.829 -13.550 0.447 364 H3' DT 18 H3' DT 18 4.464 -10.888 1.169 365 HO3' DT 18 HO3' DT 18 2.563 -12.643 -0.056 366 H2' DT 18 H2' DT 18 3.371 -11.367 3.194 367 H2'' DT 18 H2'' DT 18 1.950 -11.227 2.109 368 H1' DT 18 H1' DT 18 1.937 -13.628 1.774 369 H3 DT 18 H3 DT 18 -0.188 -15.269 5.340 370 H71 DT 18 H71 DT 18 2.926 -13.617 8.322 371 H72 DT 18 H72 DT 18 4.391 -13.674 7.314 372 H73 DT 18 H73 DT 18 3.462 -12.161 7.448 373 H6 DT 18 H6 DT 18 3.863 -12.731 4.844 Start of MODEL 8 1 H1 SER 1 HT1 SER 1 17.908 -35.692 18.308 2 H2 SER 1 HT2 SER 1 18.139 -37.363 18.111 3 H3 SER 1 HT3 SER 1 19.478 -36.332 18.285 4 HA SER 1 HA SER 1 18.241 -37.722 20.283 5 HB2 SER 1 HB3 SER 1 20.575 -36.879 20.224 6 HB3 SER 1 HB2 SER 1 19.977 -35.240 20.466 7 HG SER 1 HG SER 1 20.622 -36.294 22.424 8 H MET 2 H MET 2 16.623 -35.443 18.801 9 HA MET 2 HA MET 2 15.213 -34.592 21.242 10 HB2 MET 2 HB3 MET 2 16.151 -32.805 18.995 11 HB3 MET 2 HB2 MET 2 14.883 -32.335 20.127 12 HG2 MET 2 HG3 MET 2 16.453 -32.729 22.014 13 HG3 MET 2 HG2 MET 2 17.723 -33.115 20.852 14 HE1 MET 2 HE1 MET 2 16.705 -30.376 23.147 15 HE2 MET 2 HE2 MET 2 15.242 -30.709 22.224 16 HE3 MET 2 HE3 MET 2 16.008 -29.127 22.106 17 H HIS 3 H HIS 3 13.058 -33.510 20.572 18 HA HIS 3 HA HIS 3 11.911 -34.971 18.270 19 HB2 HIS 3 HB3 HIS 3 9.975 -34.415 20.356 20 HB3 HIS 3 HB2 HIS 3 10.379 -35.950 19.586 21 HD2 HIS 3 HD2 HIS 3 11.447 -33.867 22.755 22 HE1 HIS 3 HE1 HIS 3 13.223 -37.688 23.016 23 HE2 HIS 3 HE2 HIS 3 12.826 -35.505 24.250 24 HA PRO 4 HA PRO 4 10.033 -31.415 16.551 25 HB2 PRO 4 HB3 PRO 4 7.365 -32.416 17.466 26 HB3 PRO 4 HB2 PRO 4 7.870 -31.862 15.858 27 HG2 PRO 4 HG3 PRO 4 7.594 -34.458 16.437 28 HG3 PRO 4 HG2 PRO 4 8.834 -33.866 15.320 29 HD2 PRO 4 HD3 PRO 4 9.153 -34.942 18.065 30 HD3 PRO 4 HD2 PRO 4 10.332 -34.867 16.739 31 H GLY 5 H GLY 5 8.388 -29.580 17.103 32 HA2 GLY 5 HA3 GLY 5 7.328 -28.213 18.732 33 HA3 GLY 5 HA2 GLY 5 8.139 -29.135 19.996 34 H HIS 6 H HIS 6 10.763 -29.063 19.040 35 HA HIS 6 HA HIS 6 11.421 -26.246 19.555 36 HB2 HIS 6 HB3 HIS 6 13.561 -28.295 19.419 37 HB3 HIS 6 HB2 HIS 6 13.330 -26.978 20.569 38 HD2 HIS 6 HD2 HIS 6 12.640 -28.010 23.024 39 HE1 HIS 6 HE1 HIS 6 10.545 -31.426 21.697 40 HE2 HIS 6 HE2 HIS 6 11.310 -30.136 23.747 41 H LEU 7 H LEU 7 11.016 -28.264 16.959 42 HA LEU 7 HA LEU 7 13.261 -27.336 15.368 43 HB2 LEU 7 HB3 LEU 7 10.902 -29.131 14.872 44 HB3 LEU 7 HB2 LEU 7 11.879 -28.540 13.527 45 HG LEU 7 HG LEU 7 13.887 -29.505 14.490 46 HD11 LEU 7 HD11 LEU 7 13.522 -30.979 16.593 47 HD12 LEU 7 HD12 LEU 7 12.055 -30.031 16.828 48 HD13 LEU 7 HD13 LEU 7 13.627 -29.234 16.822 49 HD21 LEU 7 HD21 LEU 7 12.620 -31.952 14.929 50 HD22 LEU 7 HD22 LEU 7 13.170 -31.336 13.371 51 HD23 LEU 7 HD23 LEU 7 11.501 -31.079 13.881 52 H LYS 8 H LYS 8 12.786 -26.383 13.170 53 HA LYS 8 HA LYS 8 10.389 -24.737 13.004 54 HB2 LYS 8 HB3 LYS 8 11.559 -22.630 12.878 55 HB3 LYS 8 HB2 LYS 8 12.007 -23.415 14.392 56 HG2 LYS 8 HG3 LYS 8 14.134 -22.972 13.699 57 HG3 LYS 8 HG2 LYS 8 13.908 -24.427 12.728 58 HD2 LYS 8 HD3 LYS 8 14.632 -22.859 11.137 59 HD3 LYS 8 HD2 LYS 8 12.878 -22.802 10.965 60 HE2 LYS 8 HE3 LYS 8 12.978 -20.593 11.380 61 HE3 LYS 8 HE2 LYS 8 13.488 -20.980 13.024 62 HZ1 LYS 8 HZ1 LYS 8 15.789 -21.090 12.194 63 HZ2 LYS 8 HZ2 LYS 8 15.099 -19.549 12.008 64 HZ3 LYS 8 HZ3 LYS 8 15.251 -20.582 10.668 65 H GLY 9 H GLY 9 9.792 -24.441 10.934 66 HA2 GLY 9 HA3 GLY 9 10.161 -24.030 8.625 67 HA3 GLY 9 HA2 GLY 9 11.792 -24.671 8.798 68 H ARG 10 H ARG 10 10.911 -25.771 6.752 69 HA ARG 10 HA ARG 10 8.983 -27.718 6.657 70 HB2 ARG 10 HB3 ARG 10 11.741 -27.740 5.416 71 HB3 ARG 10 HB2 ARG 10 10.460 -28.875 4.989 72 HG2 ARG 10 HG3 ARG 10 9.003 -26.792 4.561 73 HG3 ARG 10 HG2 ARG 10 10.514 -25.883 4.593 74 HD2 ARG 10 HD3 ARG 10 9.805 -28.162 2.729 75 HD3 ARG 10 HD2 ARG 10 10.031 -26.471 2.293 76 HE ARG 10 HE ARG 10 12.314 -27.827 3.523 77 HH11 ARG 10 HH21 ARG 10 10.680 -26.689 0.693 78 HH12 ARG 10 HH22 ARG 10 12.099 -26.708 -0.301 79 HH21 ARG 10 HH11 ARG 10 14.179 -27.853 2.224 80 HH22 ARG 10 HH12 ARG 10 14.079 -27.366 0.566 81 H GLU 11 H GLU 11 11.680 -27.661 8.699 82 HA GLU 11 HA GLU 11 12.358 -30.367 8.954 83 HB2 GLU 11 HB3 GLU 11 12.349 -28.134 10.993 84 HB3 GLU 11 HB2 GLU 11 13.047 -29.726 11.290 85 HG2 GLU 11 HG3 GLU 11 14.812 -29.374 9.865 86 HG3 GLU 11 HG2 GLU 11 13.870 -28.351 8.782 87 H ILE 12 H ILE 12 9.953 -28.458 10.769 88 HA ILE 12 HA ILE 12 8.896 -30.895 11.987 89 HB ILE 12 HB ILE 12 9.144 -28.911 13.400 90 HG12 ILE 12 HG13 ILE 12 6.233 -29.524 12.789 91 HG13 ILE 12 HG12 ILE 12 7.277 -30.498 13.826 92 HG21 ILE 12 HG21 ILE 12 8.884 -27.197 11.661 93 HG22 ILE 12 HG22 ILE 12 7.721 -26.924 12.959 94 HG23 ILE 12 HG23 ILE 12 7.195 -27.654 11.442 95 HD11 ILE 12 HD11 ILE 12 7.109 -29.044 15.560 96 HD12 ILE 12 HD12 ILE 12 5.697 -28.422 14.703 97 HD13 ILE 12 HD13 ILE 12 7.264 -27.636 14.508 98 H GLY 13 H GLY 13 8.175 -28.645 9.440 99 HA2 GLY 13 HA3 GLY 13 5.407 -29.146 9.142 100 HA3 GLY 13 HA2 GLY 13 6.482 -28.545 7.884 101 H MET 14 H MET 14 8.131 -31.117 8.547 102 HA MET 14 HA MET 14 6.502 -32.924 6.861 103 HB2 MET 14 HB3 MET 14 9.463 -32.359 6.868 104 HB3 MET 14 HB2 MET 14 8.801 -33.832 6.159 105 HG2 MET 14 HG3 MET 14 8.879 -32.328 4.341 106 HG3 MET 14 HG2 MET 14 7.200 -32.252 4.874 107 HE1 MET 14 HE1 MET 14 6.013 -30.015 5.391 108 HE2 MET 14 HE2 MET 14 6.680 -30.242 3.776 109 HE3 MET 14 HE3 MET 14 6.825 -28.675 4.570 110 H TRP 15 H TRP 15 8.869 -32.712 9.486 111 HA TRP 15 HA TRP 15 9.508 -35.158 10.245 112 HB2 TRP 15 HB3 TRP 15 9.627 -33.003 11.639 113 HB3 TRP 15 HB2 TRP 15 8.041 -33.462 12.259 114 HD1 TRP 15 HD1 TRP 15 7.875 -35.735 13.667 115 HE1 TRP 15 HE1 TRP 15 9.653 -37.044 14.998 116 HE3 TRP 15 HE2 TRP 15 12.125 -33.655 11.744 117 HZ2 TRP 15 HZ2 TRP 15 12.502 -37.190 15.217 118 HZ3 TRP 15 HZ3 TRP 15 14.354 -34.397 12.531 119 HH2 TRP 15 HH2 TRP 15 14.548 -36.159 14.263 120 H TYR 16 H TYR 16 6.276 -33.877 11.076 121 HA TYR 16 HA TYR 16 4.908 -36.247 10.330 122 HB2 TYR 16 HB3 TYR 16 4.518 -37.335 12.355 123 HB3 TYR 16 HB2 TYR 16 6.216 -36.880 12.499 124 HD1 TYR 16 HD1 TYR 16 6.026 -33.982 13.056 125 HD2 TYR 16 HD2 TYR 16 3.677 -37.253 14.555 126 HE1 TYR 16 HE1 TYR 16 5.498 -32.670 15.093 127 HE2 TYR 16 HE2 TYR 16 3.151 -35.940 16.592 128 HH TYR 16 HH TYR 16 4.120 -32.560 16.901 129 H ALA 17 H ALA 17 4.426 -33.659 9.720 130 HA ALA 17 HA ALA 17 2.992 -31.874 10.994 131 HB1 ALA 17 HB1 ALA 17 3.100 -32.508 8.389 132 HB2 ALA 17 HB2 ALA 17 1.948 -31.338 9.034 133 HB3 ALA 17 HB3 ALA 17 1.440 -32.998 8.726 134 H LYS 18 H LYS 18 1.533 -31.875 12.564 135 HA LYS 18 HA LYS 18 0.030 -34.198 13.274 136 HB2 LYS 18 HB3 LYS 18 0.500 -31.523 14.350 137 HB3 LYS 18 HB2 LYS 18 -1.157 -32.075 14.594 138 HG2 LYS 18 HG3 LYS 18 -0.237 -34.230 15.505 139 HG3 LYS 18 HG2 LYS 18 1.377 -33.523 15.410 140 HD2 LYS 18 HD3 LYS 18 0.475 -31.598 16.825 141 HD3 LYS 18 HD2 LYS 18 -0.950 -32.599 17.108 142 HE2 LYS 18 HE3 LYS 18 1.747 -33.815 17.561 143 HE3 LYS 18 HE2 LYS 18 1.123 -32.688 18.766 144 HZ1 LYS 18 HZ1 LYS 18 -1.007 -34.103 18.558 145 HZ2 LYS 18 HZ2 LYS 18 0.290 -34.694 19.484 146 HZ3 LYS 18 HZ3 LYS 18 0.026 -35.283 17.911 147 H LYS 19 H LYS 19 -0.420 -31.919 10.874 148 HA LYS 19 HA LYS 19 -2.181 -31.387 9.500 149 HB2 LYS 19 HB3 LYS 19 -2.289 -33.987 9.631 150 HB3 LYS 19 HB2 LYS 19 -3.711 -33.708 10.639 151 HG2 LYS 19 HG3 LYS 19 -4.829 -33.616 8.663 152 HG3 LYS 19 HG2 LYS 19 -4.171 -31.981 8.560 153 HD2 LYS 19 HD3 LYS 19 -2.070 -33.264 7.555 154 HD3 LYS 19 HD2 LYS 19 -3.293 -34.470 7.152 155 HE2 LYS 19 HE3 LYS 19 -3.150 -31.586 6.268 156 HE3 LYS 19 HE2 LYS 19 -3.230 -33.034 5.264 157 HZ1 LYS 19 HZ1 LYS 19 -5.368 -31.741 6.826 158 HZ2 LYS 19 HZ2 LYS 19 -5.466 -33.398 6.459 159 HZ3 LYS 19 HZ3 LYS 19 -5.384 -32.251 5.208 160 H GLN 20 H GLN 20 -4.931 -32.531 10.696 161 HA GLN 20 HA GLN 20 -5.608 -29.983 11.963 162 HB2 GLN 20 HB3 GLN 20 -7.697 -32.049 11.698 163 HB3 GLN 20 HB2 GLN 20 -7.726 -30.346 11.234 164 HG2 GLN 20 HG3 GLN 20 -6.166 -30.970 9.319 165 HG3 GLN 20 HG2 GLN 20 -6.505 -32.655 9.709 166 HE21 GLN 20 HE21 GLN 20 -8.291 -33.534 8.652 167 HE22 GLN 20 HE22 GLN 20 -9.555 -32.629 7.970 168 H5' DT 1 H5' DT 1 23.373 -16.003 2.458 169 H5'' DT 1 H5'' DT 1 21.708 -16.601 2.585 170 H4' DT 1 H4' DT 1 23.306 -18.455 2.313 171 H3' DT 1 H3' DT 1 21.324 -18.346 4.355 172 H2' DT 1 H2' DT 1 22.833 -18.298 6.137 173 H2'' DT 1 H2'' DT 1 22.487 -19.999 5.686 174 H1' DT 1 H1' DT 1 24.796 -19.908 4.486 175 H3 DT 1 H3 DT 1 28.228 -19.570 7.322 176 H71 DT 1 H71 DT 1 24.955 -15.816 8.948 177 H72 DT 1 H72 DT 1 26.712 -15.605 9.143 178 H73 DT 1 H73 DT 1 25.884 -14.906 7.730 179 H6 DT 1 H6 DT 1 24.394 -16.792 6.500 180 HO5' DT 1 HO5' DT 1 21.896 -16.377 4.858 181 H5' DT 2 H5' DT 2 19.666 -22.090 3.445 182 H5'' DT 2 H5'' DT 2 18.299 -21.646 2.403 183 H4' DT 2 H4' DT 2 17.493 -22.016 4.660 184 H3' DT 2 H3' DT 2 17.121 -19.496 3.337 185 H2' DT 2 H2' DT 2 18.236 -18.240 4.951 186 H2'' DT 2 H2'' DT 2 16.627 -18.399 5.727 187 H1' DT 2 H1' DT 2 17.502 -20.313 7.036 188 H3 DT 2 H3 DT 2 21.862 -19.883 9.019 189 H71 DT 2 H71 DT 2 21.001 -15.349 8.881 190 H72 DT 2 H72 DT 2 20.277 -15.212 7.261 191 H73 DT 2 H73 DT 2 19.231 -15.367 8.694 192 H6 DT 2 H6 DT 2 18.504 -17.205 6.865 193 H5' DG 3 H5' DG 3 14.173 -21.975 2.948 194 H5'' DG 3 H5'' DG 3 13.896 -20.504 1.993 195 H4' DG 3 H4' DG 3 12.334 -22.344 1.406 196 H3' DG 3 H3' DG 3 11.548 -19.646 2.024 197 H2' DG 3 H2' DG 3 10.088 -20.198 3.735 198 H2'' DG 3 H2'' DG 3 9.053 -20.598 2.328 199 H1' DG 3 H1' DG 3 9.690 -22.965 2.587 200 H8 DG 3 H8 DG 3 10.878 -21.335 5.937 201 H1 DG 3 H1 DG 3 6.140 -25.631 6.436 202 H21 DG 3 H21 DG 3 5.583 -26.386 4.424 203 H22 DG 3 H22 DG 3 6.372 -25.835 2.963 204 H5' DG 4 H5' DG 4 8.628 -22.677 -0.159 205 H5'' DG 4 H5'' DG 4 7.903 -21.759 -1.494 206 H4' DG 4 H4' DG 4 6.313 -23.382 -0.553 207 H3' DG 4 H3' DG 4 5.742 -20.548 -0.763 208 H2' DG 4 H2' DG 4 5.112 -20.292 1.451 209 H2'' DG 4 H2'' DG 4 3.625 -21.087 0.845 210 H1' DG 4 H1' DG 4 4.494 -23.247 1.639 211 H8 DG 4 H8 DG 4 6.855 -20.751 3.506 212 H1 DG 4 H1 DG 4 2.619 -23.888 7.165 213 H21 DG 4 H21 DG 4 1.306 -25.153 5.872 214 H22 DG 4 H22 DG 4 1.483 -25.216 4.136 215 H5' DG 5 H5' DG 5 2.513 -23.986 -0.299 216 H5'' DG 5 H5'' DG 5 1.342 -23.630 -1.585 217 H4' DG 5 H4' DG 5 0.296 -24.773 0.343 218 H3' DG 5 H3' DG 5 -0.724 -22.420 -0.871 219 H2' DG 5 H2' DG 5 -0.390 -21.043 0.997 220 H2'' DG 5 H2'' DG 5 -1.981 -21.733 1.455 221 H1' DG 5 H1' DG 5 -0.886 -23.433 2.790 222 H8 DG 5 H8 DG 5 1.732 -20.551 2.356 223 H1 DG 5 H1 DG 5 -0.451 -21.502 8.312 224 H21 DG 5 H21 DG 5 -1.956 -23.135 8.317 225 H22 DG 5 H22 DG 5 -2.419 -23.990 6.863 226 H5' DT 6 H5' DT 6 -1.294 -26.596 0.699 227 H5'' DT 6 H5'' DT 6 0.194 -27.159 -0.086 228 H4' DT 6 H4' DT 6 -1.468 -28.944 -0.063 229 H3' DT 6 H3' DT 6 -0.289 -27.984 -2.511 230 H2' DT 6 H2' DT 6 -2.312 -27.475 -3.539 231 H2'' DT 6 H2'' DT 6 -2.398 -29.244 -3.812 232 H1' DT 6 H1' DT 6 -3.698 -29.538 -1.813 233 H3 DT 6 H3 DT 6 -7.873 -28.405 -2.912 234 H71 DT 6 H71 DT 6 -5.368 -23.806 -2.881 235 H72 DT 6 H72 DT 6 -5.054 -24.311 -4.557 236 H73 DT 6 H73 DT 6 -6.727 -24.068 -4.000 237 H6 DT 6 H6 DT 6 -3.739 -25.954 -2.865 238 H5' DG 7 H5' DG 7 1.645 -29.022 1.092 239 H5'' DG 7 H5'' DG 7 2.159 -30.715 0.945 240 H4' DG 7 H4' DG 7 0.555 -31.380 2.668 241 H3' DG 7 H3' DG 7 -0.694 -28.838 2.183 242 H2' DG 7 H2' DG 7 0.486 -27.654 3.788 243 H2'' DG 7 H2'' DG 7 -0.668 -28.485 4.878 244 H1' DG 7 H1' DG 7 1.028 -30.166 5.374 245 H8 DG 7 H8 DG 7 3.578 -27.964 3.514 246 H1 DG 7 H1 DG 7 3.611 -27.285 9.892 247 H21 DG 7 H21 DG 7 1.906 -28.396 10.783 248 H22 DG 7 H22 DG 7 0.767 -29.301 9.815 249 H5' DG 8 H5' DG 8 -4.771 -29.102 5.913 250 H5'' DG 8 H5'' DG 8 -3.846 -27.653 5.472 251 H4' DG 8 H4' DG 8 -3.621 -29.308 8.005 252 H3' DG 8 H3' DG 8 -4.890 -26.739 7.367 253 H2' DG 8 H2' DG 8 -3.156 -25.450 8.151 254 H2'' DG 8 H2'' DG 8 -3.559 -26.056 9.787 255 H1' DG 8 H1' DG 8 -1.937 -27.781 9.627 256 H8 DG 8 H8 DG 8 -0.170 -26.689 6.536 257 H1 DG 8 H1 DG 8 1.820 -23.460 11.702 258 H21 DG 8 H21 DG 8 0.432 -23.827 13.407 259 H22 DG 8 H22 DG 8 -0.973 -24.856 13.266 260 H5' DG 9 H5' DG 9 -4.553 -27.471 11.993 261 H5'' DG 9 H5'' DG 9 -6.227 -27.238 12.540 262 H4' DG 9 H4' DG 9 -4.633 -26.192 14.090 263 H3' DG 9 H3' DG 9 -6.852 -24.814 12.955 264 H2' DG 9 H2' DG 9 -5.563 -23.258 11.773 265 H2'' DG 9 H2'' DG 9 -5.561 -22.428 13.362 266 H1' DG 9 H1' DG 9 -3.438 -23.442 13.924 267 H8 DG 9 H8 DG 9 -3.753 -23.567 10.009 268 H1 DG 9 H1 DG 9 0.929 -19.862 12.362 269 H21 DG 9 H21 DG 9 0.898 -19.924 14.587 270 H22 DG 9 H22 DG 9 -0.268 -20.872 15.481 271 H5' DT 10 H5' DT 10 -5.755 -26.775 16.157 272 H5'' DT 10 H5'' DT 10 -7.431 -27.361 16.122 273 H4' DT 10 H4' DT 10 -5.811 -26.856 18.641 274 H3' DT 10 H3' DT 10 -5.712 -29.142 16.919 275 H2' DT 10 H2' DT 10 -7.701 -30.087 17.676 276 H2'' DT 10 H2'' DT 10 -6.650 -30.644 19.016 277 H1' DT 10 H1' DT 10 -7.322 -28.743 20.359 278 H3 DT 10 H3 DT 10 -11.352 -29.819 21.953 279 H71 DT 10 H71 DT 10 -12.315 -28.657 16.940 280 H72 DT 10 H72 DT 10 -11.930 -30.387 16.777 281 H73 DT 10 H73 DT 10 -13.314 -29.873 17.772 282 H6 DT 10 H6 DT 10 -9.703 -29.052 17.504 283 H5' DG 11 H5' DG 11 -2.035 -28.869 15.156 284 H5'' DG 11 H5'' DG 11 -1.831 -30.374 16.075 285 H4' DG 11 H4' DG 11 -0.543 -29.241 17.773 286 H3' DG 11 H3' DG 11 -1.840 -26.848 16.924 287 H2' DG 11 H2' DG 11 -0.298 -26.291 15.275 288 H2'' DG 11 H2'' DG 11 0.294 -25.663 16.847 289 H1' DG 11 H1' DG 11 1.904 -27.700 16.797 290 H8 DG 11 H8 DG 11 0.750 -28.916 13.401 291 H1 DG 11 H1 DG 11 5.869 -25.062 13.130 292 H21 DG 11 H21 DG 11 6.213 -24.114 15.110 293 H22 DG 11 H22 DG 11 5.189 -24.431 16.492 294 H5' DG 12 H5' DG 12 1.937 -25.125 19.797 295 H5'' DG 12 H5'' DG 12 0.861 -24.055 20.715 296 H4' DG 12 H4' DG 12 2.923 -22.908 19.948 297 H3' DG 12 H3' DG 12 0.218 -21.947 19.387 298 H2' DG 12 H2' DG 12 0.614 -21.455 17.174 299 H2'' DG 12 H2'' DG 12 1.691 -20.145 17.747 300 H1' DG 12 H1' DG 12 3.604 -21.524 17.580 301 H8 DG 12 H8 DG 12 1.021 -23.658 15.555 302 H1 DG 12 H1 DG 12 5.528 -20.710 12.071 303 H21 DG 12 H21 DG 12 6.807 -19.454 13.382 304 H22 DG 12 H22 DG 12 6.555 -19.341 15.111 305 H5' DG 13 H5' DG 13 4.117 -19.473 19.526 306 H5'' DG 13 H5'' DG 13 3.791 -18.100 20.603 307 H4' DG 13 H4' DG 13 5.515 -17.581 18.901 308 H3' DG 13 H3' DG 13 3.237 -15.951 19.459 309 H2' DG 13 H2' DG 13 2.315 -16.059 17.325 310 H2'' DG 13 H2'' DG 13 3.554 -14.811 16.977 311 H1' DG 13 H1' DG 13 5.048 -16.493 16.111 312 H8 DG 13 H8 DG 13 1.529 -18.202 16.183 313 H1 DG 13 H1 DG 13 4.097 -17.330 10.372 314 H21 DG 13 H21 DG 13 6.055 -16.297 10.552 315 H22 DG 13 H22 DG 13 6.729 -15.826 12.095 316 H5' DT 14 H5' DT 14 7.443 -14.029 22.040 317 H5'' DT 14 H5'' DT 14 8.214 -12.808 21.007 318 H4' DT 14 H4' DT 14 9.821 -14.494 20.206 319 H3' DT 14 H3' DT 14 8.050 -16.455 21.206 320 H2' DT 14 H2' DT 14 8.735 -16.264 23.445 321 H2'' DT 14 H2'' DT 14 10.129 -17.319 23.048 322 H1' DT 14 H1' DT 14 11.541 -15.649 22.494 323 H3 DT 14 H3 DT 14 13.193 -14.737 26.541 324 H71 DT 14 H71 DT 14 9.130 -13.290 28.193 325 H72 DT 14 H72 DT 14 8.394 -12.648 26.706 326 H73 DT 14 H73 DT 14 8.019 -14.304 27.241 327 H6 DT 14 H6 DT 14 8.786 -14.366 24.658 328 H5' DG 15 H5' DG 15 9.260 -19.914 18.335 329 H5'' DG 15 H5'' DG 15 10.692 -20.866 18.776 330 H4' DG 15 H4' DG 15 11.936 -19.841 16.898 331 H3' DG 15 H3' DG 15 9.678 -18.023 16.769 332 H2' DG 15 H2' DG 15 8.536 -19.163 15.123 333 H2'' DG 15 H2'' DG 15 9.809 -18.667 13.965 334 H1' DG 15 H1' DG 15 11.026 -20.620 14.242 335 H8 DG 15 H8 DG 15 8.035 -22.194 16.042 336 H1 DG 15 H1 DG 15 8.166 -23.264 9.719 337 H21 DG 15 H21 DG 15 9.754 -22.035 8.771 338 H22 DG 15 H22 DG 15 10.780 -20.957 9.689 339 H5' DG 16 H5' DG 16 12.741 -17.232 13.030 340 H5'' DG 16 H5'' DG 16 12.821 -15.460 13.094 341 H4' DG 16 H4' DG 16 12.608 -16.253 10.780 342 H3' DG 16 H3' DG 16 10.858 -14.320 11.951 343 H2' DG 16 H2' DG 16 8.907 -15.558 11.669 344 H2'' DG 16 H2'' DG 16 9.130 -14.769 10.077 345 H1' DG 16 H1' DG 16 10.112 -16.947 9.267 346 H8 DG 16 H8 DG 16 8.276 -17.736 12.637 347 H1 DG 16 H1 DG 16 6.262 -21.012 7.502 348 H21 DG 16 H21 DG 16 7.445 -20.415 5.712 349 H22 DG 16 H22 DG 16 8.717 -19.218 5.786 350 H5' DG 17 H5' DG 17 11.223 -14.879 7.193 351 H5'' DG 17 H5'' DG 17 11.249 -13.224 6.552 352 H4' DG 17 H4' DG 17 10.173 -14.800 4.987 353 H3' DG 17 H3' DG 17 9.002 -12.337 5.829 354 H2' DG 17 H2' DG 17 7.146 -13.308 6.854 355 H2'' DG 17 H2'' DG 17 6.678 -13.170 5.132 356 H1' DG 17 H1' DG 17 7.293 -15.617 4.899 357 H8 DG 17 H8 DG 17 7.027 -14.978 8.765 358 H1 DG 17 H1 DG 17 2.948 -19.289 6.333 359 H21 DG 17 H21 DG 17 3.248 -19.473 4.142 360 H22 DG 17 H22 DG 17 4.449 -18.540 3.278 361 H5' DT 18 H5' DT 18 7.392 -14.806 2.034 362 H5'' DT 18 H5'' DT 18 7.243 -13.550 0.788 363 H4' DT 18 H4' DT 18 5.609 -15.343 0.427 364 H3' DT 18 H3' DT 18 4.927 -12.616 0.509 365 HO3' DT 18 HO3' DT 18 3.179 -13.345 -0.803 366 H2' DT 18 H2' DT 18 3.809 -12.745 2.560 367 H2'' DT 18 H2'' DT 18 2.435 -13.115 1.470 368 H1' DT 18 H1' DT 18 2.836 -15.496 1.735 369 H3 DT 18 H3 DT 18 0.832 -16.638 5.555 370 H71 DT 18 H71 DT 18 4.836 -13.670 7.165 371 H72 DT 18 H72 DT 18 3.617 -12.405 6.882 372 H73 DT 18 H73 DT 18 3.314 -13.679 8.088 373 H6 DT 18 H6 DT 18 4.326 -13.505 4.526 Start of MODEL 9 1 H1 SER 1 HT1 SER 1 2.021 -36.360 19.709 2 H2 SER 1 HT2 SER 1 0.326 -36.268 19.778 3 H3 SER 1 HT3 SER 1 1.105 -37.772 19.914 4 HA SER 1 HA SER 1 0.390 -36.006 21.956 5 HB2 SER 1 HB3 SER 1 1.272 -38.733 21.547 6 HB3 SER 1 HB2 SER 1 2.035 -38.050 22.979 7 HG SER 1 HG SER 1 -0.658 -38.525 22.413 8 H MET 2 H MET 2 3.070 -35.785 20.065 9 HA MET 2 HA MET 2 4.423 -34.044 21.908 10 HB2 MET 2 HB3 MET 2 5.124 -36.696 22.159 11 HB3 MET 2 HB2 MET 2 6.336 -36.085 21.033 12 HG2 MET 2 HG3 MET 2 5.652 -34.884 23.733 13 HG3 MET 2 HG2 MET 2 7.115 -35.790 23.342 14 HE1 MET 2 HE1 MET 2 9.080 -34.596 23.351 15 HE2 MET 2 HE2 MET 2 9.517 -33.394 22.138 16 HE3 MET 2 HE3 MET 2 8.959 -34.987 21.631 17 H HIS 3 H HIS 3 4.765 -32.405 20.550 18 HA HIS 3 HA HIS 3 5.690 -32.992 17.812 19 HB2 HIS 3 HB3 HIS 3 4.986 -30.216 18.393 20 HB3 HIS 3 HB2 HIS 3 4.417 -31.275 17.103 21 HD2 HIS 3 HD2 HIS 3 1.685 -31.467 17.422 22 HE1 HIS 3 HE1 HIS 3 1.584 -31.771 21.632 23 HE2 HIS 3 HE2 HIS 3 0.168 -31.781 19.524 24 HA PRO 4 HA PRO 4 9.830 -31.644 18.314 25 HB2 PRO 4 HB3 PRO 4 9.129 -29.546 16.294 26 HB3 PRO 4 HB2 PRO 4 10.515 -30.652 16.331 27 HG2 PRO 4 HG3 PRO 4 8.379 -31.059 14.750 28 HG3 PRO 4 HG2 PRO 4 9.330 -32.383 15.441 29 HD2 PRO 4 HD3 PRO 4 6.584 -31.539 16.097 30 HD3 PRO 4 HD2 PRO 4 7.409 -33.071 16.462 31 H GLY 5 H GLY 5 8.200 -28.607 17.435 32 HA2 GLY 5 HA3 GLY 5 7.709 -26.735 18.737 33 HA3 GLY 5 HA2 GLY 5 8.357 -27.573 20.144 34 H HIS 6 H HIS 6 10.905 -28.216 19.285 35 HA HIS 6 HA HIS 6 12.152 -25.567 19.296 36 HB2 HIS 6 HB3 HIS 6 14.256 -27.040 19.656 37 HB3 HIS 6 HB2 HIS 6 13.084 -26.914 20.968 38 HD2 HIS 6 HD2 HIS 6 11.770 -29.315 21.610 39 HE1 HIS 6 HE1 HIS 6 13.550 -31.682 18.601 40 HE2 HIS 6 HE2 HIS 6 12.076 -31.731 20.668 41 H LEU 7 H LEU 7 11.015 -27.289 16.901 42 HA LEU 7 HA LEU 7 13.401 -27.360 15.207 43 HB2 LEU 7 HB3 LEU 7 10.737 -28.582 15.160 44 HB3 LEU 7 HB2 LEU 7 11.268 -27.989 13.587 45 HG LEU 7 HG LEU 7 13.321 -29.271 13.732 46 HD11 LEU 7 HD11 LEU 7 12.603 -29.314 16.559 47 HD12 LEU 7 HD12 LEU 7 14.170 -29.589 15.800 48 HD13 LEU 7 HD13 LEU 7 13.026 -30.920 15.965 49 HD21 LEU 7 HD21 LEU 7 10.714 -30.412 13.696 50 HD22 LEU 7 HD22 LEU 7 11.739 -31.502 14.628 51 HD23 LEU 7 HD23 LEU 7 12.186 -31.067 12.979 52 H LYS 8 H LYS 8 13.263 -26.387 13.016 53 HA LYS 8 HA LYS 8 11.457 -24.123 12.714 54 HB2 LYS 8 HB3 LYS 8 13.422 -23.318 14.095 55 HB3 LYS 8 HB2 LYS 8 14.441 -23.647 12.693 56 HG2 LYS 8 HG3 LYS 8 11.970 -21.919 12.495 57 HG3 LYS 8 HG2 LYS 8 13.542 -21.248 12.926 58 HD2 LYS 8 HD3 LYS 8 14.334 -22.594 10.778 59 HD3 LYS 8 HD2 LYS 8 12.635 -22.432 10.331 60 HE2 LYS 8 HE3 LYS 8 12.749 -20.020 10.516 61 HE3 LYS 8 HE2 LYS 8 14.384 -20.105 11.175 62 HZ1 LYS 8 HZ1 LYS 8 14.171 -19.584 8.726 63 HZ2 LYS 8 HZ2 LYS 8 13.699 -21.202 8.512 64 HZ3 LYS 8 HZ3 LYS 8 15.237 -20.838 9.138 65 H GLY 9 H GLY 9 10.799 -24.183 10.673 66 HA2 GLY 9 HA3 GLY 9 11.488 -23.842 8.325 67 HA3 GLY 9 HA2 GLY 9 12.711 -25.080 8.595 68 H ARG 10 H ARG 10 11.499 -25.862 6.573 69 HA ARG 10 HA ARG 10 8.908 -26.919 6.684 70 HB2 ARG 10 HB3 ARG 10 11.075 -28.295 5.131 71 HB3 ARG 10 HB2 ARG 10 9.403 -27.975 4.670 72 HG2 ARG 10 HG3 ARG 10 10.174 -25.446 4.906 73 HG3 ARG 10 HG2 ARG 10 11.768 -26.141 4.615 74 HD2 ARG 10 HD3 ARG 10 10.334 -27.414 2.695 75 HD3 ARG 10 HD2 ARG 10 9.451 -25.893 2.784 76 HE ARG 10 HE ARG 10 12.227 -25.352 2.672 77 HH11 ARG 10 HH21 ARG 10 9.601 -26.567 0.772 78 HH12 ARG 10 HH22 ARG 10 10.269 -26.042 -0.737 79 HH21 ARG 10 HH11 ARG 10 13.107 -24.659 0.697 80 HH22 ARG 10 HH12 ARG 10 12.255 -24.961 -0.781 81 H GLU 11 H GLU 11 11.683 -27.868 8.361 82 HA GLU 11 HA GLU 11 11.554 -30.630 8.507 83 HB2 GLU 11 HB3 GLU 11 12.137 -28.700 10.767 84 HB3 GLU 11 HB2 GLU 11 12.568 -30.410 10.737 85 HG2 GLU 11 HG3 GLU 11 13.828 -29.912 8.571 86 HG3 GLU 11 HG2 GLU 11 13.611 -28.205 8.952 87 H ILE 12 H ILE 12 9.994 -28.368 10.797 88 HA ILE 12 HA ILE 12 8.439 -30.344 12.087 89 HB ILE 12 HB ILE 12 8.949 -28.076 13.012 90 HG12 ILE 12 HG13 ILE 12 5.970 -28.575 12.800 91 HG13 ILE 12 HG12 ILE 12 7.036 -29.578 13.782 92 HG21 ILE 12 HG21 ILE 12 7.576 -26.183 12.259 93 HG22 ILE 12 HG22 ILE 12 6.809 -27.206 11.044 94 HG23 ILE 12 HG23 ILE 12 8.524 -26.818 10.914 95 HD11 ILE 12 HD11 ILE 12 5.802 -27.409 14.777 96 HD12 ILE 12 HD12 ILE 12 7.252 -26.630 14.143 97 HD13 ILE 12 HD13 ILE 12 7.394 -27.922 15.335 98 H GLY 13 H GLY 13 7.944 -28.457 9.189 99 HA2 GLY 13 HA3 GLY 13 5.126 -29.039 8.975 100 HA3 GLY 13 HA2 GLY 13 6.137 -28.288 7.744 101 H MET 14 H MET 14 8.090 -30.582 8.041 102 HA MET 14 HA MET 14 6.588 -32.507 6.377 103 HB2 MET 14 HB3 MET 14 9.554 -31.900 6.426 104 HB3 MET 14 HB2 MET 14 8.770 -33.096 5.393 105 HG2 MET 14 HG3 MET 14 8.175 -30.122 5.397 106 HG3 MET 14 HG2 MET 14 9.130 -30.971 4.181 107 HE1 MET 14 HE1 MET 14 5.724 -29.762 5.252 108 HE2 MET 14 HE2 MET 14 5.036 -29.916 3.637 109 HE3 MET 14 HE3 MET 14 6.590 -29.116 3.851 110 H TRP 15 H TRP 15 8.174 -32.078 9.350 111 HA TRP 15 HA TRP 15 9.396 -34.469 9.932 112 HB2 TRP 15 HB3 TRP 15 9.250 -32.564 11.501 113 HB3 TRP 15 HB2 TRP 15 7.547 -32.932 11.772 114 HD1 TRP 15 HD1 TRP 15 7.002 -34.661 13.571 115 HE1 TRP 15 HE1 TRP 15 8.375 -36.319 14.990 116 HE3 TRP 15 HE2 TRP 15 11.572 -34.147 11.351 117 HZ2 TRP 15 HZ2 TRP 15 11.058 -37.298 15.160 118 HZ3 TRP 15 HZ3 TRP 15 13.517 -35.453 12.160 119 HH2 TRP 15 HH2 TRP 15 13.267 -37.027 14.060 120 H TYR 16 H TYR 16 5.919 -33.743 10.228 121 HA TYR 16 HA TYR 16 5.087 -36.304 9.380 122 HB2 TYR 16 HB3 TYR 16 4.546 -37.436 11.348 123 HB3 TYR 16 HB2 TYR 16 6.116 -36.733 11.730 124 HD1 TYR 16 HD1 TYR 16 4.980 -33.815 11.927 125 HD2 TYR 16 HD2 TYR 16 3.823 -37.567 13.671 126 HE1 TYR 16 HE1 TYR 16 3.977 -32.613 13.847 127 HE2 TYR 16 HE2 TYR 16 2.819 -36.362 15.591 128 HH TYR 16 HH TYR 16 2.956 -34.248 16.708 129 H ALA 17 H ALA 17 4.595 -33.197 9.797 130 HA ALA 17 HA ALA 17 2.712 -31.839 10.270 131 HB1 ALA 17 HB1 ALA 17 2.962 -32.321 7.807 132 HB2 ALA 17 HB2 ALA 17 1.330 -31.884 8.313 133 HB3 ALA 17 HB3 ALA 17 1.732 -33.571 7.997 134 H LYS 18 H LYS 18 1.646 -32.200 12.153 135 HA LYS 18 HA LYS 18 0.079 -34.560 12.633 136 HB2 LYS 18 HB3 LYS 18 1.101 -33.418 14.508 137 HB3 LYS 18 HB2 LYS 18 0.256 -31.922 14.107 138 HG2 LYS 18 HG3 LYS 18 -1.752 -32.672 14.932 139 HG3 LYS 18 HG2 LYS 18 -1.427 -34.349 14.489 140 HD2 LYS 18 HD3 LYS 18 -0.211 -34.768 16.422 141 HD3 LYS 18 HD2 LYS 18 0.248 -33.076 16.624 142 HE2 LYS 18 HE3 LYS 18 -1.655 -32.563 17.769 143 HE3 LYS 18 HE2 LYS 18 -2.658 -33.608 16.764 144 HZ1 LYS 18 HZ1 LYS 18 -1.071 -35.360 18.076 145 HZ2 LYS 18 HZ2 LYS 18 -2.660 -34.956 18.521 146 HZ3 LYS 18 HZ3 LYS 18 -1.344 -34.174 19.257 147 H LYS 19 H LYS 19 -0.501 -31.429 11.250 148 HA LYS 19 HA LYS 19 -2.379 -30.442 10.368 149 HB2 LYS 19 HB3 LYS 19 -3.315 -33.320 10.242 150 HB3 LYS 19 HB2 LYS 19 -4.045 -31.967 9.377 151 HG2 LYS 19 HG3 LYS 19 -2.080 -31.624 8.060 152 HG3 LYS 19 HG2 LYS 19 -1.124 -32.697 9.084 153 HD2 LYS 19 HD3 LYS 19 -1.979 -34.599 8.128 154 HD3 LYS 19 HD2 LYS 19 -3.559 -33.870 7.841 155 HE2 LYS 19 HE3 LYS 19 -2.729 -32.644 5.935 156 HE3 LYS 19 HE2 LYS 19 -1.068 -33.124 6.286 157 HZ1 LYS 19 HZ1 LYS 19 -1.395 -35.198 5.483 158 HZ2 LYS 19 HZ2 LYS 19 -2.575 -34.407 4.552 159 HZ3 LYS 19 HZ3 LYS 19 -3.023 -35.260 5.951 160 H GLN 20 H GLN 20 -4.180 -33.110 11.803 161 HA GLN 20 HA GLN 20 -5.501 -31.156 13.586 162 HB2 GLN 20 HB3 GLN 20 -6.713 -33.803 12.864 163 HB3 GLN 20 HB2 GLN 20 -7.510 -32.296 13.317 164 HG2 GLN 20 HG3 GLN 20 -6.055 -32.841 10.714 165 HG3 GLN 20 HG2 GLN 20 -7.799 -32.687 10.921 166 HE21 GLN 20 HE21 GLN 20 -8.545 -30.479 11.818 167 HE22 GLN 20 HE22 GLN 20 -7.662 -29.109 11.343 168 H5' DT 1 H5' DT 1 16.628 -12.359 -5.820 169 H5'' DT 1 H5'' DT 1 15.309 -12.830 -6.909 170 H4' DT 1 H4' DT 1 14.996 -12.240 -3.948 171 H3' DT 1 H3' DT 1 15.760 -14.706 -5.267 172 H2' DT 1 H2' DT 1 13.599 -15.424 -5.675 173 H2'' DT 1 H2'' DT 1 13.516 -15.763 -3.918 174 H1' DT 1 H1' DT 1 12.534 -13.651 -3.471 175 H3 DT 1 H3 DT 1 8.262 -14.331 -4.594 176 H71 DT 1 H71 DT 1 10.820 -15.247 -9.074 177 H72 DT 1 H72 DT 1 9.190 -14.537 -9.115 178 H73 DT 1 H73 DT 1 10.621 -13.482 -9.190 179 H6 DT 1 H6 DT 1 12.311 -14.064 -7.167 180 HO5' DT 1 HO5' DT 1 15.783 -10.590 -6.987 181 H5' DT 2 H5' DT 2 17.581 -15.029 0.407 182 H5'' DT 2 H5'' DT 2 17.551 -15.862 -1.161 183 H4' DT 2 H4' DT 2 15.093 -14.979 0.391 184 H3' DT 2 H3' DT 2 16.694 -17.391 0.701 185 H2' DT 2 H2' DT 2 15.548 -18.612 -0.891 186 H2'' DT 2 H2'' DT 2 14.186 -18.666 0.272 187 H1' DT 2 H1' DT 2 13.172 -16.758 -0.674 188 H3 DT 2 H3 DT 2 11.123 -18.280 -4.337 189 H71 DT 2 H71 DT 2 16.061 -19.911 -4.967 190 H72 DT 2 H72 DT 2 15.074 -19.506 -6.392 191 H73 DT 2 H73 DT 2 16.178 -18.293 -5.701 192 H6 DT 2 H6 DT 2 15.747 -18.045 -3.048 193 H5' DG 3 H5' DG 3 12.946 -19.568 4.253 194 H5'' DG 3 H5'' DG 3 14.064 -20.707 3.476 195 H4' DG 3 H4' DG 3 12.401 -21.177 1.734 196 H3' DG 3 H3' DG 3 11.072 -18.801 2.702 197 H2' DG 3 H2' DG 3 9.633 -19.859 4.149 198 H2'' DG 3 H2'' DG 3 8.921 -20.146 2.531 199 H1' DG 3 H1' DG 3 9.905 -22.500 2.721 200 H8 DG 3 H8 DG 3 11.022 -21.305 6.245 201 H1 DG 3 H1 DG 3 6.294 -25.638 6.194 202 H21 DG 3 H21 DG 3 5.675 -26.068 4.108 203 H22 DG 3 H22 DG 3 6.420 -25.291 2.728 204 H5' DG 4 H5' DG 4 9.004 -23.838 0.362 205 H5'' DG 4 H5'' DG 4 8.470 -22.912 -1.053 206 H4' DG 4 H4' DG 4 6.604 -24.145 -0.051 207 H3' DG 4 H3' DG 4 6.554 -21.227 -0.331 208 H2' DG 4 H2' DG 4 5.692 -20.853 1.774 209 H2'' DG 4 H2'' DG 4 4.166 -21.620 1.234 210 H1' DG 4 H1' DG 4 4.822 -23.738 1.988 211 H8 DG 4 H8 DG 4 7.236 -21.337 3.919 212 H1 DG 4 H1 DG 4 2.664 -24.150 7.428 213 H21 DG 4 H21 DG 4 1.360 -25.389 6.113 214 H22 DG 4 H22 DG 4 1.618 -25.517 4.390 215 H5' DG 5 H5' DG 5 2.892 -24.168 -0.104 216 H5'' DG 5 H5'' DG 5 1.838 -23.680 -1.448 217 H4' DG 5 H4' DG 5 0.569 -24.645 0.454 218 H3' DG 5 H3' DG 5 0.024 -22.027 -0.710 219 H2' DG 5 H2' DG 5 -0.141 -20.905 1.287 220 H2'' DG 5 H2'' DG 5 -1.666 -21.821 1.496 221 H1' DG 5 H1' DG 5 -0.525 -23.469 2.828 222 H8 DG 5 H8 DG 5 2.124 -20.598 2.664 223 H1 DG 5 H1 DG 5 -0.452 -21.712 8.429 224 H21 DG 5 H21 DG 5 -1.997 -23.301 8.278 225 H22 DG 5 H22 DG 5 -2.390 -24.086 6.766 226 H5' DT 6 H5' DT 6 -2.073 -25.371 -2.191 227 H5'' DT 6 H5'' DT 6 -3.520 -25.917 -1.319 228 H4' DT 6 H4' DT 6 -2.766 -28.229 -1.433 229 H3' DT 6 H3' DT 6 -0.172 -27.342 -1.671 230 H2' DT 6 H2' DT 6 -0.431 -26.474 -3.864 231 H2'' DT 6 H2'' DT 6 0.253 -28.112 -4.124 232 H1' DT 6 H1' DT 6 -2.034 -28.937 -4.594 233 H3 DT 6 H3 DT 6 -4.936 -26.238 -7.326 234 H71 DT 6 H71 DT 6 0.130 -25.885 -8.608 235 H72 DT 6 H72 DT 6 -1.001 -24.606 -9.109 236 H73 DT 6 H73 DT 6 -0.038 -24.409 -7.626 237 H6 DT 6 H6 DT 6 -0.317 -26.573 -6.040 238 H5' DG 7 H5' DG 7 1.640 -28.634 1.064 239 H5'' DG 7 H5'' DG 7 2.005 -30.370 0.986 240 H4' DG 7 H4' DG 7 0.285 -30.833 2.664 241 H3' DG 7 H3' DG 7 -0.824 -28.319 2.015 242 H2' DG 7 H2' DG 7 0.651 -27.062 3.333 243 H2'' DG 7 H2'' DG 7 -0.819 -27.544 4.241 244 H1' DG 7 H1' DG 7 0.763 -29.333 5.333 245 H8 DG 7 H8 DG 7 3.518 -27.463 3.323 246 H1 DG 7 H1 DG 7 3.776 -26.772 9.697 247 H21 DG 7 H21 DG 7 2.018 -27.752 10.634 248 H22 DG 7 H22 DG 7 0.789 -28.572 9.699 249 H5' DG 8 H5' DG 8 -2.937 -30.419 6.234 250 H5'' DG 8 H5'' DG 8 -4.567 -29.798 5.911 251 H4' DG 8 H4' DG 8 -3.959 -29.787 8.333 252 H3' DG 8 H3' DG 8 -5.137 -27.605 6.903 253 H2' DG 8 H2' DG 8 -3.405 -26.101 7.293 254 H2'' DG 8 H2'' DG 8 -4.284 -25.958 8.848 255 H1' DG 8 H1' DG 8 -2.696 -27.544 9.853 256 H8 DG 8 H8 DG 8 -0.680 -26.833 6.612 257 H1 DG 8 H1 DG 8 1.473 -23.877 11.878 258 H21 DG 8 H21 DG 8 0.087 -24.255 13.580 259 H22 DG 8 H22 DG 8 -1.357 -25.226 13.416 260 H5' DG 9 H5' DG 9 -4.763 -27.636 11.661 261 H5'' DG 9 H5'' DG 9 -6.446 -27.348 12.151 262 H4' DG 9 H4' DG 9 -4.838 -26.459 13.802 263 H3' DG 9 H3' DG 9 -7.010 -24.977 12.738 264 H2' DG 9 H2' DG 9 -5.668 -23.424 11.595 265 H2'' DG 9 H2'' DG 9 -5.711 -22.640 13.208 266 H1' DG 9 H1' DG 9 -3.597 -23.705 13.792 267 H8 DG 9 H8 DG 9 -3.751 -23.742 9.867 268 H1 DG 9 H1 DG 9 0.755 -19.998 12.487 269 H21 DG 9 H21 DG 9 0.617 -20.084 14.705 270 H22 DG 9 H22 DG 9 -0.574 -21.059 15.534 271 H5' DT 10 H5' DT 10 -5.164 -24.812 18.344 272 H5'' DT 10 H5'' DT 10 -4.657 -25.850 16.996 273 H4' DT 10 H4' DT 10 -4.694 -27.111 19.098 274 H3' DT 10 H3' DT 10 -5.999 -27.983 16.753 275 H2' DT 10 H2' DT 10 -8.179 -27.711 17.582 276 H2'' DT 10 H2'' DT 10 -7.860 -29.361 18.205 277 H1' DT 10 H1' DT 10 -7.188 -28.463 20.341 278 H3 DT 10 H3 DT 10 -11.083 -27.689 22.384 279 H71 DT 10 H71 DT 10 -11.471 -24.866 17.987 280 H72 DT 10 H72 DT 10 -12.263 -24.299 19.476 281 H73 DT 10 H73 DT 10 -10.651 -23.686 19.038 282 H6 DT 10 H6 DT 10 -8.981 -25.746 18.524 283 H5' DG 11 H5' DG 11 -2.430 -28.630 14.821 284 H5'' DG 11 H5'' DG 11 -2.215 -30.148 15.717 285 H4' DG 11 H4' DG 11 -0.993 -28.994 17.472 286 H3' DG 11 H3' DG 11 -2.186 -26.583 16.411 287 H2' DG 11 H2' DG 11 -0.407 -25.977 15.072 288 H2'' DG 11 H2'' DG 11 0.634 -25.645 16.491 289 H1' DG 11 H1' DG 11 1.526 -27.650 16.670 290 H8 DG 11 H8 DG 11 0.678 -28.869 13.253 291 H1 DG 11 H1 DG 11 5.604 -24.763 13.200 292 H21 DG 11 H21 DG 11 5.767 -23.751 15.180 293 H22 DG 11 H22 DG 11 4.667 -24.088 16.496 294 H5' DG 12 H5' DG 12 1.141 -25.133 19.695 295 H5'' DG 12 H5'' DG 12 0.106 -24.008 20.593 296 H4' DG 12 H4' DG 12 2.342 -23.057 20.049 297 H3' DG 12 H3' DG 12 -0.161 -21.745 19.611 298 H2' DG 12 H2' DG 12 0.078 -21.533 17.306 299 H2'' DG 12 H2'' DG 12 0.999 -20.133 17.944 300 H1' DG 12 H1' DG 12 3.091 -21.496 17.605 301 H8 DG 12 H8 DG 12 0.283 -23.357 15.587 302 H1 DG 12 H1 DG 12 5.296 -21.282 12.164 303 H21 DG 12 H21 DG 12 6.744 -20.241 13.490 304 H22 DG 12 H22 DG 12 6.481 -20.059 15.209 305 H5' DG 13 H5' DG 13 4.040 -19.305 19.720 306 H5'' DG 13 H5'' DG 13 3.622 -17.881 20.694 307 H4' DG 13 H4' DG 13 5.360 -17.367 19.021 308 H3' DG 13 H3' DG 13 2.995 -15.837 19.378 309 H2' DG 13 H2' DG 13 2.092 -16.305 17.270 310 H2'' DG 13 H2'' DG 13 3.164 -14.947 16.802 311 H1' DG 13 H1' DG 13 4.890 -16.510 16.136 312 H8 DG 13 H8 DG 13 1.493 -18.460 16.178 313 H1 DG 13 H1 DG 13 4.369 -17.948 10.469 314 H21 DG 13 H21 DG 13 6.265 -16.803 10.674 315 H22 DG 13 H22 DG 13 6.818 -16.172 12.208 316 H5' DT 14 H5' DT 14 6.281 -15.950 22.576 317 H5'' DT 14 H5'' DT 14 7.528 -14.851 21.955 318 H4' DT 14 H4' DT 14 8.850 -16.751 21.165 319 H3' DT 14 H3' DT 14 6.428 -18.277 21.434 320 H2' DT 14 H2' DT 14 6.806 -18.950 23.623 321 H2'' DT 14 H2'' DT 14 7.961 -20.109 22.894 322 H1' DT 14 H1' DT 14 9.790 -18.630 23.257 323 H3 DT 14 H3 DT 14 10.692 -19.279 27.582 324 H71 DT 14 H71 DT 14 6.623 -15.987 27.656 325 H72 DT 14 H72 DT 14 5.751 -17.538 27.659 326 H73 DT 14 H73 DT 14 6.855 -17.134 28.996 327 H6 DT 14 H6 DT 14 6.997 -17.232 25.289 328 H5' DG 15 H5' DG 15 8.802 -20.590 18.420 329 H5'' DG 15 H5'' DG 15 10.143 -21.613 18.972 330 H4' DG 15 H4' DG 15 11.610 -20.630 17.260 331 H3' DG 15 H3' DG 15 9.527 -18.626 17.004 332 H2' DG 15 H2' DG 15 8.460 -19.600 15.208 333 H2'' DG 15 H2'' DG 15 9.908 -18.949 14.378 334 H1' DG 15 H1' DG 15 10.893 -21.228 14.483 335 H8 DG 15 H8 DG 15 7.702 -22.699 15.963 336 H1 DG 15 H1 DG 15 8.130 -23.304 9.593 337 H21 DG 15 H21 DG 15 9.840 -22.110 8.827 338 H22 DG 15 H22 DG 15 10.872 -21.168 9.878 339 H5' DG 16 H5' DG 16 12.899 -17.921 13.558 340 H5'' DG 16 H5'' DG 16 13.023 -16.150 13.573 341 H4' DG 16 H4' DG 16 12.852 -17.035 11.277 342 H3' DG 16 H3' DG 16 11.115 -14.999 12.345 343 H2' DG 16 H2' DG 16 9.134 -16.116 11.890 344 H2'' DG 16 H2'' DG 16 9.463 -15.541 10.225 345 H1' DG 16 H1' DG 16 10.474 -17.680 9.677 346 H8 DG 16 H8 DG 16 8.388 -18.290 12.936 347 H1 DG 16 H1 DG 16 6.456 -21.478 7.717 348 H21 DG 16 H21 DG 16 7.763 -20.962 5.989 349 H22 DG 16 H22 DG 16 9.099 -19.843 6.125 350 H5' DG 17 H5' DG 17 11.635 -15.871 7.711 351 H5'' DG 17 H5'' DG 17 11.847 -14.271 6.971 352 H4' DG 17 H4' DG 17 10.724 -15.841 5.440 353 H3' DG 17 H3' DG 17 9.693 -13.249 6.103 354 H2' DG 17 H2' DG 17 7.678 -14.023 6.972 355 H2'' DG 17 H2'' DG 17 7.379 -13.976 5.205 356 H1' DG 17 H1' DG 17 7.848 -16.461 5.182 357 H8 DG 17 H8 DG 17 7.297 -15.578 8.970 358 H1 DG 17 H1 DG 17 3.134 -19.727 6.399 359 H21 DG 17 H21 DG 17 3.615 -20.051 4.250 360 H22 DG 17 H22 DG 17 4.953 -19.250 3.459 361 H5' DT 18 H5' DT 18 8.314 -15.722 2.051 362 H5'' DT 18 H5'' DT 18 8.694 -14.393 0.938 363 H4' DT 18 H4' DT 18 6.984 -15.864 -0.018 364 H3' DT 18 H3' DT 18 6.730 -13.102 0.079 365 HO3' DT 18 HO3' DT 18 4.925 -14.969 -1.125 366 H2' DT 18 H2' DT 18 5.252 -13.091 1.908 367 H2'' DT 18 H2'' DT 18 4.092 -13.074 0.539 368 H1' DT 18 H1' DT 18 3.875 -15.501 0.689 369 H3 DT 18 H3 DT 18 0.999 -16.245 4.019 370 H71 DT 18 H71 DT 18 5.287 -14.557 6.508 371 H72 DT 18 H72 DT 18 4.502 -12.997 6.168 372 H73 DT 18 H73 DT 18 3.677 -14.206 7.181 373 H6 DT 18 H6 DT 18 5.304 -14.116 3.848 Start of MODEL 10 1 H1 SER 1 HT1 SER 1 8.897 -40.246 16.520 2 H2 SER 1 HT2 SER 1 7.684 -40.530 15.364 3 H3 SER 1 HT3 SER 1 7.302 -40.534 17.020 4 HA SER 1 HA SER 1 8.525 -38.102 16.004 5 HB2 SER 1 HB3 SER 1 5.593 -38.521 15.502 6 HB3 SER 1 HB2 SER 1 6.686 -37.341 14.784 7 HG SER 1 HG SER 1 7.749 -39.206 13.803 8 H MET 2 H MET 2 8.618 -36.926 17.804 9 HA MET 2 HA MET 2 6.469 -37.244 19.815 10 HB2 MET 2 HB3 MET 2 8.830 -37.985 20.447 11 HB3 MET 2 HB2 MET 2 9.271 -36.279 20.384 12 HG2 MET 2 HG3 MET 2 6.950 -36.243 21.880 13 HG3 MET 2 HG2 MET 2 7.729 -37.733 22.413 14 HE1 MET 2 HE1 MET 2 8.055 -37.021 24.752 15 HE2 MET 2 HE2 MET 2 9.667 -36.446 25.169 16 HE3 MET 2 HE3 MET 2 9.486 -37.849 24.120 17 H HIS 3 H HIS 3 6.018 -35.516 17.730 18 HA HIS 3 HA HIS 3 5.743 -33.286 17.138 19 HB2 HIS 3 HB3 HIS 3 5.108 -32.549 19.917 20 HB3 HIS 3 HB2 HIS 3 4.110 -32.451 18.465 21 HD2 HIS 3 HD2 HIS 3 2.423 -34.665 18.039 22 HE1 HIS 3 HE1 HIS 3 3.673 -36.895 21.399 23 HE2 HIS 3 HE2 HIS 3 1.976 -36.773 19.514 24 HA PRO 4 HA PRO 4 9.968 -31.943 18.385 25 HB2 PRO 4 HB3 PRO 4 9.346 -30.200 16.040 26 HB3 PRO 4 HB2 PRO 4 10.821 -31.114 16.407 27 HG2 PRO 4 HG3 PRO 4 9.073 -31.940 14.566 28 HG3 PRO 4 HG2 PRO 4 9.974 -33.074 15.585 29 HD2 PRO 4 HD3 PRO 4 7.097 -32.320 15.706 30 HD3 PRO 4 HD2 PRO 4 7.891 -33.831 16.199 31 H GLY 5 H GLY 5 7.908 -29.438 16.905 32 HA2 GLY 5 HA3 GLY 5 6.993 -27.502 17.784 33 HA3 GLY 5 HA2 GLY 5 7.378 -28.101 19.394 34 H HIS 6 H HIS 6 10.199 -28.509 18.839 35 HA HIS 6 HA HIS 6 11.074 -25.739 19.167 36 HB2 HIS 6 HB3 HIS 6 13.058 -27.931 19.270 37 HB3 HIS 6 HB2 HIS 6 12.814 -26.574 20.370 38 HD2 HIS 6 HD2 HIS 6 10.300 -27.002 22.010 39 HE1 HIS 6 HE1 HIS 6 10.837 -31.189 21.916 40 HE2 HIS 6 HE2 HIS 6 9.601 -29.289 23.062 41 H LEU 7 H LEU 7 10.693 -27.871 16.648 42 HA LEU 7 HA LEU 7 13.103 -27.231 15.179 43 HB2 LEU 7 HB3 LEU 7 10.734 -28.953 14.799 44 HB3 LEU 7 HB2 LEU 7 11.409 -28.268 13.320 45 HG LEU 7 HG LEU 7 13.585 -29.186 13.798 46 HD11 LEU 7 HD11 LEU 7 12.436 -29.404 16.511 47 HD12 LEU 7 HD12 LEU 7 14.109 -29.150 16.014 48 HD13 LEU 7 HD13 LEU 7 13.428 -30.777 16.018 49 HD21 LEU 7 HD21 LEU 7 12.153 -31.589 14.647 50 HD22 LEU 7 HD22 LEU 7 12.986 -31.263 13.127 51 HD23 LEU 7 HD23 LEU 7 11.315 -30.741 13.346 52 H LYS 8 H LYS 8 13.219 -25.961 13.296 53 HA LYS 8 HA LYS 8 10.938 -24.143 12.830 54 HB2 LYS 8 HB3 LYS 8 12.384 -22.240 12.727 55 HB3 LYS 8 HB2 LYS 8 12.771 -23.086 14.227 56 HG2 LYS 8 HG3 LYS 8 14.912 -22.876 13.437 57 HG3 LYS 8 HG2 LYS 8 14.481 -24.345 12.560 58 HD2 LYS 8 HD3 LYS 8 15.183 -23.092 10.767 59 HD3 LYS 8 HD2 LYS 8 13.512 -22.528 10.829 60 HE2 LYS 8 HE3 LYS 8 14.743 -20.524 10.768 61 HE3 LYS 8 HE2 LYS 8 14.416 -20.738 12.486 62 HZ1 LYS 8 HZ1 LYS 8 16.904 -21.576 11.099 63 HZ2 LYS 8 HZ2 LYS 8 16.586 -21.729 12.761 64 HZ3 LYS 8 HZ3 LYS 8 16.740 -20.190 12.062 65 H GLY 9 H GLY 9 10.375 -23.992 10.753 66 HA2 GLY 9 HA3 GLY 9 10.890 -23.666 8.431 67 HA3 GLY 9 HA2 GLY 9 12.383 -24.566 8.672 68 H ARG 10 H ARG 10 11.091 -25.414 6.579 69 HA ARG 10 HA ARG 10 8.951 -27.066 6.568 70 HB2 ARG 10 HB3 ARG 10 11.607 -27.845 5.343 71 HB3 ARG 10 HB2 ARG 10 10.002 -28.346 4.810 72 HG2 ARG 10 HG3 ARG 10 9.767 -25.605 4.816 73 HG3 ARG 10 HG2 ARG 10 11.441 -25.828 4.306 74 HD2 ARG 10 HD3 ARG 10 10.363 -27.681 2.742 75 HD3 ARG 10 HD2 ARG 10 8.914 -26.704 2.960 76 HE ARG 10 HE ARG 10 10.879 -24.896 2.288 77 HH11 ARG 10 HH21 ARG 10 9.566 -27.801 0.939 78 HH12 ARG 10 HH22 ARG 10 9.866 -27.338 -0.703 79 HH21 ARG 10 HH11 ARG 10 11.277 -24.284 0.138 80 HH22 ARG 10 HH12 ARG 10 10.835 -25.347 -1.156 81 H GLU 11 H GLU 11 11.759 -27.473 8.476 82 HA GLU 11 HA GLU 11 12.000 -30.197 8.835 83 HB2 GLU 11 HB3 GLU 11 12.245 -27.929 10.812 84 HB3 GLU 11 HB2 GLU 11 12.635 -29.598 11.230 85 HG2 GLU 11 HG3 GLU 11 13.839 -28.790 8.696 86 HG3 GLU 11 HG2 GLU 11 14.362 -27.769 10.035 87 H ILE 12 H ILE 12 10.108 -28.126 11.047 88 HA ILE 12 HA ILE 12 8.678 -30.320 12.158 89 HB ILE 12 HB ILE 12 9.071 -28.137 13.314 90 HG12 ILE 12 HG13 ILE 12 6.126 -28.783 13.014 91 HG13 ILE 12 HG12 ILE 12 7.245 -29.791 13.932 92 HG21 ILE 12 HG21 ILE 12 6.783 -27.094 11.643 93 HG22 ILE 12 HG22 ILE 12 8.463 -26.831 11.172 94 HG23 ILE 12 HG23 ILE 12 7.865 -26.190 12.702 95 HD11 ILE 12 HD11 ILE 12 6.518 -26.900 14.461 96 HD12 ILE 12 HD12 ILE 12 7.864 -27.719 15.256 97 HD13 ILE 12 HD13 ILE 12 6.213 -28.290 15.503 98 H GLY 13 H GLY 13 8.171 -28.258 9.406 99 HA2 GLY 13 HA3 GLY 13 5.366 -28.804 9.102 100 HA3 GLY 13 HA2 GLY 13 6.421 -28.061 7.904 101 H MET 14 H MET 14 8.282 -30.464 8.296 102 HA MET 14 HA MET 14 6.744 -32.344 6.606 103 HB2 MET 14 HB3 MET 14 9.719 -31.788 6.522 104 HB3 MET 14 HB2 MET 14 8.828 -32.881 5.461 105 HG2 MET 14 HG3 MET 14 8.312 -29.901 5.688 106 HG3 MET 14 HG2 MET 14 9.247 -30.663 4.401 107 HE1 MET 14 HE1 MET 14 6.896 -28.772 4.009 108 HE2 MET 14 HE2 MET 14 5.907 -29.316 5.362 109 HE3 MET 14 HE3 MET 14 5.293 -29.461 3.716 110 H TRP 15 H TRP 15 8.669 -31.913 9.427 111 HA TRP 15 HA TRP 15 9.851 -34.320 9.931 112 HB2 TRP 15 HB3 TRP 15 9.934 -32.477 11.527 113 HB3 TRP 15 HB2 TRP 15 8.215 -32.669 11.872 114 HD1 TRP 15 HD1 TRP 15 7.543 -34.403 13.642 115 HE1 TRP 15 HE1 TRP 15 8.818 -36.147 15.051 116 HE3 TRP 15 HE2 TRP 15 12.126 -34.171 11.400 117 HZ2 TRP 15 HZ2 TRP 15 11.435 -37.292 15.206 118 HZ3 TRP 15 HZ3 TRP 15 13.990 -35.596 12.197 119 HH2 TRP 15 HH2 TRP 15 13.651 -37.155 14.096 120 H TYR 16 H TYR 16 6.406 -33.550 10.254 121 HA TYR 16 HA TYR 16 5.535 -36.150 9.625 122 HB2 TYR 16 HB3 TYR 16 5.043 -37.154 11.666 123 HB3 TYR 16 HB2 TYR 16 6.605 -36.407 11.995 124 HD1 TYR 16 HD1 TYR 16 5.489 -33.502 12.017 125 HD2 TYR 16 HD2 TYR 16 4.268 -37.129 13.969 126 HE1 TYR 16 HE1 TYR 16 4.467 -32.174 13.843 127 HE2 TYR 16 HE2 TYR 16 3.245 -35.799 15.795 128 HH TYR 16 HH TYR 16 2.364 -33.546 16.155 129 H ALA 17 H ALA 17 4.776 -33.662 8.779 130 HA ALA 17 HA ALA 17 2.876 -32.121 9.769 131 HB1 ALA 17 HB1 ALA 17 2.503 -33.633 7.172 132 HB2 ALA 17 HB2 ALA 17 3.431 -32.147 7.372 133 HB3 ALA 17 HB3 ALA 17 1.685 -32.136 7.619 134 H LYS 18 H LYS 18 1.918 -33.147 11.590 135 HA LYS 18 HA LYS 18 -0.248 -35.046 10.911 136 HB2 LYS 18 HB3 LYS 18 1.501 -35.968 12.416 137 HB3 LYS 18 HB2 LYS 18 1.150 -34.683 13.571 138 HG2 LYS 18 HG3 LYS 18 -1.310 -35.518 13.408 139 HG3 LYS 18 HG2 LYS 18 -0.602 -36.982 12.726 140 HD2 LYS 18 HD3 LYS 18 -0.788 -37.335 15.098 141 HD3 LYS 18 HD2 LYS 18 0.920 -37.068 14.751 142 HE2 LYS 18 HE3 LYS 18 0.937 -34.975 15.739 143 HE3 LYS 18 HE2 LYS 18 -0.771 -34.689 15.406 144 HZ1 LYS 18 HZ1 LYS 18 0.447 -36.308 17.549 145 HZ2 LYS 18 HZ2 LYS 18 -1.148 -36.605 17.043 146 HZ3 LYS 18 HZ3 LYS 18 -0.722 -35.084 17.671 147 H LYS 19 H LYS 19 0.620 -32.039 12.439 148 HA LYS 19 HA LYS 19 -0.631 -30.448 13.558 149 HB2 LYS 19 HB3 LYS 19 -1.333 -30.128 11.220 150 HB3 LYS 19 HB2 LYS 19 -2.621 -31.312 11.445 151 HG2 LYS 19 HG3 LYS 19 -3.612 -29.138 11.734 152 HG3 LYS 19 HG2 LYS 19 -3.484 -29.864 13.338 153 HD2 LYS 19 HD3 LYS 19 -1.626 -28.524 13.925 154 HD3 LYS 19 HD2 LYS 19 -1.297 -28.094 12.246 155 HE2 LYS 19 HE3 LYS 19 -2.702 -26.335 12.341 156 HE3 LYS 19 HE2 LYS 19 -3.993 -27.329 13.013 157 HZ1 LYS 19 HZ1 LYS 19 -3.494 -26.723 15.097 158 HZ2 LYS 19 HZ2 LYS 19 -2.733 -25.394 14.360 159 HZ3 LYS 19 HZ3 LYS 19 -1.819 -26.747 14.831 160 H GLN 20 H GLN 20 -3.581 -32.063 12.673 161 HA GLN 20 HA GLN 20 -4.743 -32.014 15.180 162 HB2 GLN 20 HB3 GLN 20 -5.690 -32.678 12.808 163 HB3 GLN 20 HB2 GLN 20 -5.349 -34.315 13.369 164 HG2 GLN 20 HG3 GLN 20 -7.532 -33.996 14.138 165 HG3 GLN 20 HG2 GLN 20 -6.581 -33.535 15.549 166 HE21 GLN 20 HE21 GLN 20 -7.024 -31.485 16.395 167 HE22 GLN 20 HE22 GLN 20 -7.833 -30.251 15.556 168 H5' DT 1 H5' DT 1 21.778 -26.202 -1.317 169 H5'' DT 1 H5'' DT 1 22.548 -27.319 -0.176 170 H4' DT 1 H4' DT 1 22.942 -25.495 1.409 171 H3' DT 1 H3' DT 1 20.981 -24.038 -0.035 172 H2' DT 1 H2' DT 1 22.440 -23.296 -1.712 173 H2'' DT 1 H2'' DT 1 22.605 -22.063 -0.422 174 H1' DT 1 H1' DT 1 24.693 -23.264 0.311 175 H3 DT 1 H3 DT 1 27.891 -22.256 -2.638 176 H71 DT 1 H71 DT 1 24.083 -24.227 -5.648 177 H72 DT 1 H72 DT 1 25.787 -24.458 -6.109 178 H73 DT 1 H73 DT 1 24.929 -25.729 -5.203 179 H6 DT 1 H6 DT 1 23.757 -24.678 -3.011 180 HO5' DT 1 HO5' DT 1 20.263 -27.340 -0.042 181 H5' DT 2 H5' DT 2 20.267 -21.181 2.280 182 H5'' DT 2 H5'' DT 2 19.751 -21.606 3.925 183 H4' DT 2 H4' DT 2 18.038 -20.269 2.794 184 H3' DT 2 H3' DT 2 17.491 -22.908 3.874 185 H2' DT 2 H2' DT 2 16.490 -23.728 1.958 186 H2'' DT 2 H2'' DT 2 15.121 -22.676 2.437 187 H1' DT 2 H1' DT 2 15.920 -20.922 0.989 188 H3 DT 2 H3 DT 2 14.621 -22.310 -3.057 189 H71 DT 2 H71 DT 2 17.889 -26.100 -1.504 190 H72 DT 2 H72 DT 2 17.791 -25.666 -3.227 191 H73 DT 2 H73 DT 2 19.059 -24.953 -2.200 192 H6 DT 2 H6 DT 2 17.964 -23.878 0.019 193 H5' DG 3 H5' DG 3 13.231 -19.167 1.763 194 H5'' DG 3 H5'' DG 3 12.740 -19.304 3.463 195 H4' DG 3 H4' DG 3 12.067 -21.276 1.252 196 H3' DG 3 H3' DG 3 10.688 -18.867 2.125 197 H2' DG 3 H2' DG 3 9.386 -19.889 3.716 198 H2'' DG 3 H2'' DG 3 8.628 -20.376 2.168 199 H1' DG 3 H1' DG 3 9.821 -22.620 2.513 200 H8 DG 3 H8 DG 3 11.102 -21.153 5.854 201 H1 DG 3 H1 DG 3 6.421 -25.503 6.428 202 H21 DG 3 H21 DG 3 5.652 -26.062 4.423 203 H22 DG 3 H22 DG 3 6.286 -25.369 2.947 204 H5' DG 4 H5' DG 4 8.388 -23.992 -0.056 205 H5'' DG 4 H5'' DG 4 7.836 -22.977 -1.403 206 H4' DG 4 H4' DG 4 5.954 -24.144 -0.348 207 H3' DG 4 H3' DG 4 6.072 -21.217 -0.509 208 H2' DG 4 H2' DG 4 5.332 -20.870 1.643 209 H2'' DG 4 H2'' DG 4 3.757 -21.507 1.074 210 H1' DG 4 H1' DG 4 4.317 -23.708 1.838 211 H8 DG 4 H8 DG 4 7.026 -21.536 3.638 212 H1 DG 4 H1 DG 4 2.511 -24.075 7.418 213 H21 DG 4 H21 DG 4 1.022 -25.179 6.176 214 H22 DG 4 H22 DG 4 1.149 -25.287 4.437 215 H5' DG 5 H5' DG 5 2.205 -24.012 -0.521 216 H5'' DG 5 H5'' DG 5 1.230 -23.318 -1.832 217 H4' DG 5 H4' DG 5 -0.165 -24.436 -0.122 218 H3' DG 5 H3' DG 5 -0.647 -21.837 -1.134 219 H2' DG 5 H2' DG 5 -0.202 -20.715 0.874 220 H2'' DG 5 H2'' DG 5 -1.924 -21.122 1.160 221 H1' DG 5 H1' DG 5 -1.269 -23.091 2.414 222 H8 DG 5 H8 DG 5 1.775 -20.629 2.323 223 H1 DG 5 H1 DG 5 -0.626 -21.914 8.131 224 H21 DG 5 H21 DG 5 -2.329 -23.336 7.950 225 H22 DG 5 H22 DG 5 -2.868 -23.962 6.409 226 H5' DT 6 H5' DT 6 -1.242 -25.271 -4.002 227 H5'' DT 6 H5'' DT 6 -2.978 -25.492 -3.711 228 H4' DT 6 H4' DT 6 -2.481 -27.540 -2.406 229 H3' DT 6 H3' DT 6 0.224 -26.649 -2.405 230 H2' DT 6 H2' DT 6 0.750 -27.519 -4.513 231 H2'' DT 6 H2'' DT 6 0.941 -29.091 -3.672 232 H1' DT 6 H1' DT 6 -1.268 -29.732 -4.073 233 H3 DT 6 H3 DT 6 -0.866 -31.449 -8.176 234 H71 DT 6 H71 DT 6 -0.033 -27.344 -10.125 235 H72 DT 6 H72 DT 6 -0.932 -26.282 -9.018 236 H73 DT 6 H73 DT 6 0.816 -26.526 -8.791 237 H6 DT 6 H6 DT 6 -0.453 -26.981 -6.457 238 H5' DG 7 H5' DG 7 1.740 -28.604 1.527 239 H5'' DG 7 H5'' DG 7 2.174 -30.314 1.336 240 H4' DG 7 H4' DG 7 0.358 -30.974 2.834 241 H3' DG 7 H3' DG 7 -0.877 -28.546 2.270 242 H2' DG 7 H2' DG 7 0.548 -27.219 3.589 243 H2'' DG 7 H2'' DG 7 -0.946 -27.736 4.438 244 H1' DG 7 H1' DG 7 0.668 -29.407 5.672 245 H8 DG 7 H8 DG 7 3.307 -27.423 3.593 246 H1 DG 7 H1 DG 7 3.797 -26.893 9.967 247 H21 DG 7 H21 DG 7 2.125 -27.973 10.950 248 H22 DG 7 H22 DG 7 0.896 -28.826 10.042 249 H5' DG 8 H5' DG 8 -3.032 -30.482 6.613 250 H5'' DG 8 H5'' DG 8 -4.638 -29.833 6.227 251 H4' DG 8 H4' DG 8 -4.049 -29.551 8.621 252 H3' DG 8 H3' DG 8 -4.877 -27.366 6.876 253 H2' DG 8 H2' DG 8 -3.245 -25.890 7.537 254 H2'' DG 8 H2'' DG 8 -4.126 -25.850 9.094 255 H1' DG 8 H1' DG 8 -2.611 -27.467 10.024 256 H8 DG 8 H8 DG 8 -0.577 -26.959 6.771 257 H1 DG 8 H1 DG 8 1.750 -23.912 11.908 258 H21 DG 8 H21 DG 8 0.359 -24.138 13.624 259 H22 DG 8 H22 DG 8 -1.139 -25.033 13.508 260 H5' DG 9 H5' DG 9 -5.600 -27.075 11.538 261 H5'' DG 9 H5'' DG 9 -7.283 -26.537 11.703 262 H4' DG 9 H4' DG 9 -5.824 -25.585 13.459 263 H3' DG 9 H3' DG 9 -7.598 -24.052 11.831 264 H2' DG 9 H2' DG 9 -5.939 -22.745 10.840 265 H2'' DG 9 H2'' DG 9 -6.073 -21.823 12.371 266 H1' DG 9 H1' DG 9 -4.223 -23.042 13.317 267 H8 DG 9 H8 DG 9 -4.030 -23.377 9.409 268 H1 DG 9 H1 DG 9 0.883 -20.361 12.223 269 H21 DG 9 H21 DG 9 0.578 -20.294 14.422 270 H22 DG 9 H22 DG 9 -0.828 -20.988 15.196 271 H5' DT 10 H5' DT 10 -5.691 -24.263 16.155 272 H5'' DT 10 H5'' DT 10 -4.652 -25.553 15.518 273 H4' DT 10 H4' DT 10 -4.932 -25.703 17.972 274 H3' DT 10 H3' DT 10 -5.454 -27.893 16.148 275 H2' DT 10 H2' DT 10 -7.584 -28.338 16.949 276 H2'' DT 10 H2'' DT 10 -6.783 -29.041 18.389 277 H1' DT 10 H1' DT 10 -6.902 -27.015 19.581 278 H3 DT 10 H3 DT 10 -11.095 -26.926 21.117 279 H71 DT 10 H71 DT 10 -11.730 -27.613 15.963 280 H72 DT 10 H72 DT 10 -12.949 -26.710 16.892 281 H73 DT 10 H73 DT 10 -11.662 -25.836 16.029 282 H6 DT 10 H6 DT 10 -9.246 -26.852 16.681 283 H5' DG 11 H5' DG 11 -2.129 -28.894 16.310 284 H5'' DG 11 H5'' DG 11 -1.323 -30.405 16.776 285 H4' DG 11 H4' DG 11 0.136 -29.076 18.327 286 H3' DG 11 H3' DG 11 -1.584 -26.851 17.430 287 H2' DG 11 H2' DG 11 -0.021 -25.940 16.026 288 H2'' DG 11 H2'' DG 11 1.108 -25.674 17.391 289 H1' DG 11 H1' DG 11 2.190 -27.669 17.116 290 H8 DG 11 H8 DG 11 0.710 -28.588 13.796 291 H1 DG 11 H1 DG 11 5.679 -24.561 13.283 292 H21 DG 11 H21 DG 11 6.202 -23.743 15.284 293 H22 DG 11 H22 DG 11 5.331 -24.186 16.734 294 H5' DG 12 H5' DG 12 1.967 -25.108 20.142 295 H5'' DG 12 H5'' DG 12 1.052 -23.980 21.161 296 H4' DG 12 H4' DG 12 3.082 -22.931 20.231 297 H3' DG 12 H3' DG 12 0.395 -21.849 19.809 298 H2' DG 12 H2' DG 12 0.688 -21.403 17.572 299 H2'' DG 12 H2'' DG 12 1.748 -20.130 18.251 300 H1' DG 12 H1' DG 12 3.688 -21.628 17.808 301 H8 DG 12 H8 DG 12 0.810 -23.541 15.953 302 H1 DG 12 H1 DG 12 5.474 -21.194 12.224 303 H21 DG 12 H21 DG 12 6.944 -20.074 13.454 304 H22 DG 12 H22 DG 12 6.781 -19.904 15.187 305 H5' DG 13 H5' DG 13 4.302 -19.265 19.910 306 H5'' DG 13 H5'' DG 13 3.951 -17.768 20.800 307 H4' DG 13 H4' DG 13 5.562 -17.398 18.964 308 H3' DG 13 H3' DG 13 3.111 -15.891 19.286 309 H2' DG 13 H2' DG 13 2.345 -16.235 17.130 310 H2'' DG 13 H2'' DG 13 3.603 -15.052 16.651 311 H1' DG 13 H1' DG 13 5.155 -16.795 16.169 312 H8 DG 13 H8 DG 13 1.716 -18.662 16.236 313 H1 DG 13 H1 DG 13 4.493 -18.086 10.483 314 H21 DG 13 H21 DG 13 6.381 -16.922 10.667 315 H22 DG 13 H22 DG 13 6.949 -16.294 12.196 316 H5' DT 14 H5' DT 14 8.538 -16.653 17.192 317 H5'' DT 14 H5'' DT 14 8.389 -18.070 18.251 318 H4' DT 14 H4' DT 14 10.350 -16.650 18.809 319 H3' DT 14 H3' DT 14 8.355 -17.512 20.726 320 H2' DT 14 H2' DT 14 7.906 -15.381 21.527 321 H2'' DT 14 H2'' DT 14 9.472 -15.556 22.380 322 H1' DT 14 H1' DT 14 10.631 -14.457 20.590 323 H3 DT 14 H3 DT 14 9.930 -10.090 21.181 324 H71 DT 14 H71 DT 14 5.241 -11.839 19.641 325 H72 DT 14 H72 DT 14 5.105 -12.116 21.393 326 H73 DT 14 H73 DT 14 5.346 -10.466 20.769 327 H6 DT 14 H6 DT 14 6.962 -13.782 20.370 328 H5' DG 15 H5' DG 15 9.424 -20.120 18.314 329 H5'' DG 15 H5'' DG 15 10.782 -21.096 18.908 330 H4' DG 15 H4' DG 15 12.203 -20.265 17.096 331 H3' DG 15 H3' DG 15 10.197 -18.210 16.780 332 H2' DG 15 H2' DG 15 8.982 -19.288 15.139 333 H2'' DG 15 H2'' DG 15 10.393 -18.649 14.238 334 H1' DG 15 H1' DG 15 11.348 -20.995 14.358 335 H8 DG 15 H8 DG 15 8.217 -22.337 16.073 336 H1 DG 15 H1 DG 15 8.295 -23.243 9.724 337 H21 DG 15 H21 DG 15 9.978 -22.121 8.812 338 H22 DG 15 H22 DG 15 11.083 -21.151 9.760 339 H5' DG 16 H5' DG 16 13.369 -17.853 13.057 340 H5'' DG 16 H5'' DG 16 13.484 -16.087 12.924 341 H4' DG 16 H4' DG 16 13.119 -17.171 10.729 342 H3' DG 16 H3' DG 16 11.442 -15.049 11.789 343 H2' DG 16 H2' DG 16 9.438 -16.127 11.393 344 H2'' DG 16 H2'' DG 16 9.754 -15.769 9.666 345 H1' DG 16 H1' DG 16 10.735 -17.925 9.341 346 H8 DG 16 H8 DG 16 8.822 -18.344 12.729 347 H1 DG 16 H1 DG 16 6.407 -21.554 7.726 348 H21 DG 16 H21 DG 16 7.596 -21.103 5.896 349 H22 DG 16 H22 DG 16 8.968 -20.021 5.912 350 H5' DG 17 H5' DG 17 11.525 -15.665 6.992 351 H5'' DG 17 H5'' DG 17 11.637 -13.996 6.398 352 H4' DG 17 H4' DG 17 10.144 -15.307 4.973 353 H3' DG 17 H3' DG 17 9.185 -12.946 6.433 354 H2' DG 17 H2' DG 17 7.192 -13.880 7.064 355 H2'' DG 17 H2'' DG 17 6.961 -13.634 5.305 356 H1' DG 17 H1' DG 17 7.475 -16.127 5.071 357 H8 DG 17 H8 DG 17 7.282 -15.653 8.964 358 H1 DG 17 H1 DG 17 3.062 -19.757 6.413 359 H21 DG 17 H21 DG 17 3.325 -19.845 4.206 360 H22 DG 17 H22 DG 17 4.529 -18.895 3.367 361 H5' DT 18 H5' DT 18 6.427 -15.128 1.363 362 H5'' DT 18 H5'' DT 18 7.274 -13.708 0.719 363 H4' DT 18 H4' DT 18 4.880 -13.586 0.229 364 H3' DT 18 H3' DT 18 6.280 -11.518 1.684 365 HO3' DT 18 HO3' DT 18 4.914 -10.226 0.355 366 H2' DT 18 H2' DT 18 4.846 -11.513 3.486 367 H2'' DT 18 H2'' DT 18 3.753 -10.604 2.396 368 H1' DT 18 H1' DT 18 2.642 -12.638 1.742 369 H3 DT 18 H3 DT 18 -0.195 -13.583 5.061 370 H71 DT 18 H71 DT 18 4.370 -12.907 7.543 371 H72 DT 18 H72 DT 18 3.170 -14.049 8.193 372 H73 DT 18 H73 DT 18 4.488 -14.639 7.151 373 H6 DT 18 H6 DT 18 4.588 -13.196 4.875
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