NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2598 | 1c5a | 421 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 23.360 -42.990 -6.192 2 2H MET 1 HT1 MET 1 23.675 -41.643 -5.207 3 3H MET 1 HT3 MET 1 24.227 -43.162 -4.730 4 HA MET 1 HA MET 1 22.121 -43.945 -4.230 5 1HB MET 1 HB1 MET 1 23.225 -42.408 -2.623 6 2HB MET 1 HB2 MET 1 22.351 -41.058 -3.311 7 1HG MET 1 HG1 MET 1 20.203 -42.083 -2.592 8 2HG MET 1 HG2 MET 1 21.078 -43.444 -1.920 9 1HE MET 1 HE3 MET 1 23.021 -43.035 0.056 10 2HE MET 1 HE1 MET 1 22.253 -42.293 1.447 11 3HE MET 1 HE2 MET 1 21.411 -43.570 0.587 12 H LEU 2 HN LEU 2 21.689 -40.723 -5.717 13 HA LEU 2 HA LEU 2 18.917 -40.684 -5.974 14 1HB LEU 2 HB1 LEU 2 21.149 -39.303 -7.473 15 2HB LEU 2 HB2 LEU 2 19.479 -39.054 -7.912 16 HG LEU 2 HG LEU 2 19.008 -38.197 -5.640 17 1HD1 LEU 2 HD12 LEU 2 22.018 -38.202 -5.228 18 2HD1 LEU 2 HD13 LEU 2 20.838 -37.385 -4.210 19 3HD1 LEU 2 HD11 LEU 2 20.841 -39.134 -4.298 20 1HD2 LEU 2 HD22 LEU 2 19.451 -36.696 -7.516 21 2HD2 LEU 2 HD23 LEU 2 20.113 -36.009 -6.039 22 3HD2 LEU 2 HD21 LEU 2 21.183 -36.772 -7.209 23 H GLN 3 HN GLN 3 21.258 -41.608 -8.464 24 HA GLN 3 HA GLN 3 19.398 -42.515 -10.398 25 1HB GLN 3 HB1 GLN 3 21.215 -43.386 -11.634 26 2HB GLN 3 HB2 GLN 3 21.682 -41.844 -10.980 27 1HG GLN 3 HG1 GLN 3 22.615 -44.535 -9.878 28 2HG GLN 3 HG2 GLN 3 23.524 -43.547 -10.991 29 1HE2 GLN 3 HE21 GLN 3 24.608 -41.313 -8.454 30 2HE2 GLN 3 HE22 GLN 3 24.432 -41.514 -10.166 31 H LYS 4 HN LYS 4 21.064 -44.257 -7.832 32 HA LYS 4 HA LYS 4 20.128 -46.864 -8.393 33 1HB LYS 4 HB1 LYS 4 22.010 -46.389 -6.910 34 2HB LYS 4 HB2 LYS 4 20.952 -45.563 -5.794 35 1HG LYS 4 HG1 LYS 4 21.598 -47.753 -4.940 36 2HG LYS 4 HG2 LYS 4 19.872 -47.635 -5.152 37 1HD LYS 4 HD1 LYS 4 20.586 -49.825 -5.791 38 2HD LYS 4 HD2 LYS 4 20.041 -48.998 -7.226 39 1HE LYS 4 HE1 LYS 4 22.426 -48.579 -7.854 40 2HE LYS 4 HE2 LYS 4 22.925 -49.487 -6.424 41 1HZ LYS 4 HZ3 LYS 4 21.100 -50.532 -8.613 42 2HZ LYS 4 HZ1 LYS 4 22.765 -50.910 -8.429 43 3HZ LYS 4 HZ2 LYS 4 21.654 -51.378 -7.241 44 H LYS 5 HN LYS 5 18.669 -44.371 -6.231 45 HA LYS 5 HA LYS 5 16.299 -45.786 -5.684 46 1HB LYS 5 HB1 LYS 5 16.920 -42.841 -5.715 47 2HB LYS 5 HB2 LYS 5 15.354 -43.465 -5.228 48 1HG LYS 5 HG1 LYS 5 16.391 -44.757 -3.412 49 2HG LYS 5 HG2 LYS 5 17.989 -44.310 -3.964 50 1HD LYS 5 HD1 LYS 5 17.776 -42.838 -2.238 51 2HD LYS 5 HD2 LYS 5 17.155 -41.846 -3.528 52 1HE LYS 5 HE1 LYS 5 15.460 -43.360 -1.533 53 2HE LYS 5 HE2 LYS 5 15.880 -41.656 -1.428 54 1HZ LYS 5 HZ3 LYS 5 14.815 -41.354 -3.716 55 2HZ LYS 5 HZ1 LYS 5 14.294 -42.965 -3.549 56 3HZ LYS 5 HZ2 LYS 5 13.751 -41.795 -2.447 57 H ILE 6 HN ILE 6 16.841 -43.505 -8.446 58 HA ILE 6 HA ILE 6 14.359 -43.912 -9.736 59 HB ILE 6 HB ILE 6 17.037 -43.632 -11.139 60 1HG1 ILE 6 HG11 ILE 6 14.984 -41.503 -10.526 61 2HG1 ILE 6 HG12 ILE 6 16.451 -41.763 -9.603 62 1HG2 ILE 6 HG21 ILE 6 14.212 -43.263 -12.336 63 2HG2 ILE 6 HG22 ILE 6 15.705 -42.900 -13.159 64 3HG2 ILE 6 HG23 ILE 6 15.337 -44.543 -12.733 65 1HD1 ILE 6 HD11 ILE 6 17.816 -41.263 -11.608 66 2HD1 ILE 6 HD12 ILE 6 16.348 -40.931 -12.525 67 3HD1 ILE 6 HD13 ILE 6 16.761 -39.931 -11.149 68 H GLU 7 HN GLU 7 17.374 -45.811 -10.162 69 HA GLU 7 HA GLU 7 16.320 -47.856 -11.750 70 1HB GLU 7 HB1 GLU 7 18.706 -47.453 -11.411 71 2HB GLU 7 HB2 GLU 7 18.580 -47.966 -9.750 72 1HG GLU 7 HG1 GLU 7 17.670 -50.015 -11.733 73 2HG GLU 7 HG2 GLU 7 19.364 -49.590 -11.853 74 H GLU 8 HN GLU 8 16.470 -47.960 -8.083 75 HA GLU 8 HA GLU 8 15.128 -50.454 -7.969 76 1HB GLU 8 HB1 GLU 8 15.207 -48.172 -5.947 77 2HB GLU 8 HB2 GLU 8 14.573 -49.770 -5.583 78 1HG GLU 8 HG1 GLU 8 16.766 -50.795 -5.898 79 2HG GLU 8 HG2 GLU 8 17.435 -49.286 -6.505 80 H GLU 9 HN GLU 9 13.553 -47.216 -8.211 81 HA GLU 9 HA GLU 9 10.900 -48.485 -8.150 82 1HB GLU 9 HB1 GLU 9 11.752 -45.670 -8.826 83 2HB GLU 9 HB2 GLU 9 10.089 -46.221 -8.725 84 1HG GLU 9 HG1 GLU 9 12.084 -46.304 -6.403 85 2HG GLU 9 HG2 GLU 9 10.873 -45.066 -6.620 86 H ALA 10 HN ALA 10 12.608 -46.804 -10.824 87 HA ALA 10 HA ALA 10 10.962 -48.071 -12.834 88 1HB ALA 10 HB2 ALA 10 13.522 -46.478 -13.033 89 2HB ALA 10 HB3 ALA 10 12.526 -46.964 -14.405 90 3HB ALA 10 HB1 ALA 10 11.875 -45.862 -13.192 91 H ALA 11 HN ALA 11 13.676 -49.756 -11.308 92 HA ALA 11 HA ALA 11 13.804 -51.651 -13.419 93 1HB ALA 11 HB2 ALA 11 14.216 -52.012 -10.412 94 2HB ALA 11 HB3 ALA 11 14.628 -53.226 -11.641 95 3HB ALA 11 HB1 ALA 11 15.439 -51.663 -11.606 96 H LYS 12 HN LYS 12 11.637 -51.510 -10.617 97 HA LYS 12 HA LYS 12 10.381 -54.029 -11.353 98 1HB LYS 12 HB1 LYS 12 9.159 -53.849 -9.232 99 2HB LYS 12 HB2 LYS 12 10.899 -53.863 -9.067 100 1HG LYS 12 HG1 LYS 12 10.915 -51.444 -8.631 101 2HG LYS 12 HG2 LYS 12 9.184 -51.366 -8.898 102 1HD LYS 12 HD1 LYS 12 8.889 -52.947 -6.942 103 2HD LYS 12 HD2 LYS 12 10.614 -52.844 -6.657 104 1HE LYS 12 HE1 LYS 12 8.911 -50.352 -6.786 105 2HE LYS 12 HE2 LYS 12 9.006 -51.298 -5.312 106 1HZ LYS 12 HZ1 LYS 12 11.488 -50.377 -6.757 107 2HZ LYS 12 HZ2 LYS 12 10.691 -49.414 -5.577 108 3HZ LYS 12 HZ3 LYS 12 11.315 -50.970 -5.182 109 OH TYR 13 OH TYR 13 10.396 -47.745 -18.154 110 H TYR 13 HN TYR 13 9.913 -52.819 -13.328 111 HA TYR 13 HA TYR 13 7.891 -51.025 -13.833 112 1HB TYR 13 HB1 TYR 13 9.353 -53.107 -15.328 113 2HB TYR 13 HB2 TYR 13 7.768 -52.801 -15.983 114 HD1 TYR 13 HD1 TYR 13 8.176 -51.632 -17.946 115 HD2 TYR 13 HD2 TYR 13 10.201 -50.250 -14.444 116 HE1 TYR 13 HE1 TYR 13 8.997 -49.657 -19.165 117 HE2 TYR 13 HE2 TYR 13 10.992 -48.333 -15.687 118 HH TYR 13 HH TYR 13 10.894 -47.134 -17.558 119 H LYS 14 HN LYS 14 7.230 -54.237 -12.716 120 HA LYS 14 HA LYS 14 4.459 -54.373 -13.241 121 1HB LYS 14 HB1 LYS 14 6.048 -55.297 -10.819 122 2HB LYS 14 HB2 LYS 14 4.380 -55.733 -11.135 123 1HG LYS 14 HG1 LYS 14 5.036 -56.873 -13.216 124 2HG LYS 14 HG2 LYS 14 6.713 -56.420 -12.963 125 1HD LYS 14 HD1 LYS 14 6.730 -57.717 -10.840 126 2HD LYS 14 HD2 LYS 14 5.061 -58.187 -11.128 127 1HE LYS 14 HE1 LYS 14 5.733 -59.313 -13.223 128 2HE LYS 14 HE2 LYS 14 7.408 -58.837 -12.942 129 1HZ LYS 14 HZ2 LYS 14 5.747 -60.473 -11.106 130 2HZ LYS 14 HZ3 LYS 14 6.975 -61.076 -12.104 131 3HZ LYS 14 HZ1 LYS 14 7.351 -60.017 -10.837 132 OH TYR 15 OH TYR 15 4.393 -55.297 -5.239 133 H TYR 15 HN TYR 15 6.231 -52.400 -10.868 134 HA TYR 15 HA TYR 15 3.735 -51.369 -9.719 135 1HB TYR 15 HB1 TYR 15 6.649 -51.023 -9.012 136 2HB TYR 15 HB2 TYR 15 5.392 -50.057 -8.263 137 HD1 TYR 15 HD1 TYR 15 3.498 -51.266 -7.044 138 HD2 TYR 15 HD2 TYR 15 6.941 -53.345 -8.371 139 HE1 TYR 15 HE1 TYR 15 2.981 -53.105 -5.491 140 HE2 TYR 15 HE2 TYR 15 6.410 -55.202 -6.822 141 HH TYR 15 HH TYR 15 3.592 -55.111 -4.748 142 H ALA 16 HN ALA 16 3.209 -50.833 -11.757 143 HA ALA 16 HA ALA 16 4.435 -49.154 -13.590 144 1HB ALA 16 HB3 ALA 16 1.491 -49.803 -13.242 145 2HB ALA 16 HB1 ALA 16 2.213 -49.113 -14.694 146 3HB ALA 16 HB2 ALA 16 2.678 -50.723 -14.162 147 H MET 17 HN MET 17 1.956 -48.207 -11.243 148 HA MET 17 HA MET 17 1.775 -45.473 -12.019 149 1HB MET 17 HB1 MET 17 1.036 -46.850 -9.418 150 2HB MET 17 HB2 MET 17 0.680 -45.172 -9.778 151 1HG MET 17 HG1 MET 17 -0.706 -45.860 -11.707 152 2HG MET 17 HG2 MET 17 -0.338 -47.543 -11.388 153 1HE MET 17 HE1 MET 17 -1.857 -44.280 -9.684 154 2HE MET 17 HE2 MET 17 -2.929 -44.869 -10.973 155 3HE MET 17 HE3 MET 17 -3.434 -44.941 -9.293 156 H LEU 18 HN LEU 18 3.880 -47.068 -9.570 157 HA LEU 18 HA LEU 18 4.879 -44.636 -8.499 158 1HB LEU 18 HB1 LEU 18 5.818 -47.522 -8.322 159 2HB LEU 18 HB2 LEU 18 6.443 -46.218 -7.345 160 HG LEU 18 HG LEU 18 5.056 -47.386 -6.000 161 1HD1 LEU 18 HD13 LEU 18 4.724 -45.009 -5.729 162 2HD1 LEU 18 HD11 LEU 18 3.429 -45.003 -6.914 163 3HD1 LEU 18 HD12 LEU 18 3.203 -45.827 -5.369 164 1HD2 LEU 18 HD21 LEU 18 3.755 -48.804 -7.399 165 2HD2 LEU 18 HD22 LEU 18 2.720 -47.992 -6.236 166 3HD2 LEU 18 HD23 LEU 18 2.745 -47.449 -7.900 167 H LYS 19 HN LYS 19 6.477 -47.072 -10.655 168 HA LYS 19 HA LYS 19 8.530 -45.237 -11.303 169 1HB LYS 19 HB1 LYS 19 9.077 -46.642 -13.181 170 2HB LYS 19 HB2 LYS 19 8.642 -47.657 -11.830 171 1HG LYS 19 HG1 LYS 19 7.523 -48.810 -13.432 172 2HG LYS 19 HG2 LYS 19 6.262 -47.652 -13.076 173 1HD LYS 19 HD1 LYS 19 6.983 -46.260 -15.000 174 2HD LYS 19 HD2 LYS 19 8.273 -47.389 -15.333 175 1HE LYS 19 HE1 LYS 19 6.520 -49.165 -15.698 176 2HE LYS 19 HE2 LYS 19 5.294 -47.906 -15.500 177 1HZ LYS 19 HZ3 LYS 19 6.349 -46.655 -17.271 178 2HZ LYS 19 HZ1 LYS 19 7.524 -47.857 -17.454 179 3HZ LYS 19 HZ2 LYS 19 5.909 -48.191 -17.842 180 H LYS 20 HN LYS 20 5.205 -45.368 -12.836 181 HA LYS 20 HA LYS 20 5.859 -43.256 -14.618 182 1HB LYS 20 HB1 LYS 20 3.770 -44.763 -14.648 183 2HB LYS 20 HB2 LYS 20 3.087 -43.628 -13.510 184 1HG LYS 20 HG1 LYS 20 4.221 -42.141 -15.749 185 2HG LYS 20 HG2 LYS 20 3.191 -43.415 -16.370 186 1HD LYS 20 HD1 LYS 20 1.356 -42.590 -14.892 187 2HD LYS 20 HD2 LYS 20 2.402 -41.291 -14.358 188 1HE LYS 20 HE1 LYS 20 1.634 -41.686 -17.256 189 2HE LYS 20 HE2 LYS 20 0.686 -40.721 -16.136 190 1HZ LYS 20 HZ1 LYS 20 2.861 -39.427 -15.666 191 2HZ LYS 20 HZ2 LYS 20 3.494 -40.138 -17.109 192 3HZ LYS 20 HZ3 LYS 20 2.097 -39.226 -17.168 193 H CYS 21 HN CYS 21 4.723 -42.999 -11.087 194 HA CYS 21 HA CYS 21 4.883 -40.249 -10.896 195 1HB CYS 21 HB1 CYS 21 5.846 -42.363 -8.983 196 2HB CYS 21 HB2 CYS 21 5.801 -40.663 -8.579 197 H CYS 22 HN CYS 22 7.733 -42.448 -10.688 198 HA CYS 22 HA CYS 22 9.883 -40.598 -11.016 199 1HB CYS 22 HB1 CYS 22 9.843 -43.227 -10.956 200 2HB CYS 22 HB2 CYS 22 10.120 -42.957 -12.631 201 OH TYR 23 OH TYR 23 11.511 -45.923 -16.633 202 H TYR 23 HN TYR 23 8.013 -41.859 -13.637 203 HA TYR 23 HA TYR 23 9.368 -40.092 -15.393 204 1HB TYR 23 HB1 TYR 23 7.001 -41.808 -15.878 205 2HB TYR 23 HB2 TYR 23 8.002 -41.040 -17.096 206 HD1 TYR 23 HD1 TYR 23 7.709 -43.689 -17.377 207 HD2 TYR 23 HD2 TYR 23 10.453 -42.151 -14.414 208 HE1 TYR 23 HE1 TYR 23 9.270 -45.562 -17.798 209 HE2 TYR 23 HE2 TYR 23 11.966 -43.919 -14.978 210 HH TYR 23 HH TYR 23 12.331 -45.784 -16.149 211 H ASP 24 HN ASP 24 6.225 -39.651 -13.810 212 HA ASP 24 HA ASP 24 5.580 -37.085 -14.759 213 1HB ASP 24 HB1 ASP 24 5.218 -38.052 -11.912 214 2HB ASP 24 HB2 ASP 24 4.489 -36.648 -12.643 215 H GLY 25 HN GLY 25 7.920 -37.832 -12.147 216 1HA GLY 25 HA1 GLY 25 8.956 -35.179 -11.954 217 2HA GLY 25 HA2 GLY 25 9.822 -36.631 -11.515 218 H ALA 26 HN ALA 26 9.973 -37.835 -14.071 219 HA ALA 26 HA ALA 26 12.158 -36.473 -15.234 220 1HB ALA 26 HB3 ALA 26 12.020 -38.891 -15.284 221 2HB ALA 26 HB1 ALA 26 10.633 -38.803 -16.374 222 3HB ALA 26 HB2 ALA 26 12.207 -38.244 -16.911 223 OH TYR 27 OH TYR 27 4.718 -39.897 -18.099 224 H TYR 27 HN TYR 27 8.729 -36.351 -16.426 225 HA TYR 27 HA TYR 27 9.431 -34.950 -18.807 226 1HB TYR 27 HB1 TYR 27 6.861 -34.233 -17.459 227 2HB TYR 27 HB2 TYR 27 7.211 -34.374 -19.154 228 HD1 TYR 27 HD1 TYR 27 5.126 -35.590 -16.942 229 HD2 TYR 27 HD2 TYR 27 8.068 -37.210 -19.540 230 HE1 TYR 27 HE1 TYR 27 3.984 -37.749 -16.882 231 HE2 TYR 27 HE2 TYR 27 6.900 -39.368 -19.501 232 HH TYR 27 HH TYR 27 5.172 -40.522 -18.673 233 NH1 ARG 28 NH1 ARG 28 12.976 -27.506 -11.969 234 NH2 ARG 28 NH2 ARG 28 10.961 -28.142 -12.445 235 H ARG 28 HN ARG 28 11.229 -33.670 -17.383 236 HA ARG 28 HA ARG 28 10.269 -31.312 -16.049 237 1HB ARG 28 HB1 ARG 28 12.342 -32.571 -15.503 238 2HB ARG 28 HB2 ARG 28 13.079 -31.936 -16.961 239 1HG ARG 28 HG1 ARG 28 13.893 -30.628 -15.166 240 2HG ARG 28 HG2 ARG 28 12.746 -29.605 -15.994 241 1HD ARG 28 HD1 ARG 28 11.062 -30.012 -14.278 242 2HD ARG 28 HD2 ARG 28 12.106 -31.186 -13.479 243 HE ARG 28 HE ARG 28 13.745 -29.083 -13.399 244 1HH1 ARG 28 HH12 ARG 28 13.982 -27.622 -12.044 245 2HH1 ARG 28 HH11 ARG 28 12.545 -26.781 -11.440 246 1HH2 ARG 28 HH22 ARG 28 10.304 -28.715 -12.933 247 2HH2 ARG 28 HH21 ARG 28 10.678 -27.390 -11.827 248 H ASN 29 HN ASN 29 8.932 -30.775 -17.899 249 HA ASN 29 HA ASN 29 10.247 -28.648 -19.512 250 1HB ASN 29 HB1 ASN 29 7.531 -29.994 -19.824 251 2HB ASN 29 HB2 ASN 29 8.116 -28.694 -20.850 252 1HD2 ASN 29 HD21 ASN 29 10.352 -30.860 -22.591 253 2HD2 ASN 29 HD22 ASN 29 10.302 -29.225 -22.010 254 H ASP 30 HN ASP 30 8.471 -28.962 -16.666 255 HA ASP 30 HA ASP 30 7.025 -26.481 -16.745 256 1HB ASP 30 HB1 ASP 30 6.384 -26.945 -14.498 257 2HB ASP 30 HB2 ASP 30 6.398 -28.481 -15.332 258 H ASP 31 HN ASP 31 10.209 -27.359 -15.577 259 HA ASP 31 HA ASP 31 12.018 -26.275 -14.866 260 1HB ASP 31 HB1 ASP 31 10.828 -24.121 -16.593 261 2HB ASP 31 HB2 ASP 31 12.379 -23.912 -15.791 262 H GLU 32 HN GLU 32 9.144 -24.539 -13.845 263 HA GLU 32 HA GLU 32 10.298 -23.310 -11.575 264 1HB GLU 32 HB1 GLU 32 7.991 -22.995 -10.838 265 2HB GLU 32 HB2 GLU 32 8.216 -22.602 -12.523 266 1HG GLU 32 HG1 GLU 32 6.512 -23.984 -13.098 267 2HG GLU 32 HG2 GLU 32 7.393 -25.356 -12.474 268 H THR 33 HN THR 33 8.152 -24.708 -9.562 269 HA THR 33 HA THR 33 10.402 -26.230 -8.426 270 HB THR 33 HB THR 33 8.073 -24.944 -6.982 271 HG1 THR 33 HG1 THR 33 9.792 -23.498 -6.322 272 1HG2 THR 33 HG22 THR 33 9.163 -26.821 -5.671 273 2HG2 THR 33 HG23 THR 33 10.715 -26.016 -5.920 274 3HG2 THR 33 HG21 THR 33 9.459 -25.237 -4.969 275 H CYS 34 HN CYS 34 10.112 -28.277 -9.191 276 HA CYS 34 HA CYS 34 7.708 -29.619 -9.628 277 1HB CYS 34 HB1 CYS 34 9.007 -31.596 -9.980 278 2HB CYS 34 HB2 CYS 34 9.825 -30.226 -10.680 279 H GLU 35 HN GLU 35 9.607 -29.554 -6.668 280 HA GLU 35 HA GLU 35 8.110 -31.556 -5.297 281 1HB GLU 35 HB1 GLU 35 9.976 -29.422 -4.265 282 2HB GLU 35 HB2 GLU 35 9.190 -30.608 -3.227 283 1HG GLU 35 HG1 GLU 35 10.195 -32.455 -4.622 284 2HG GLU 35 HG2 GLU 35 11.052 -31.252 -5.567 285 H GLU 36 HN GLU 36 7.316 -28.172 -5.785 286 HA GLU 36 HA GLU 36 5.222 -28.128 -3.773 287 1HB GLU 36 HB1 GLU 36 6.372 -26.092 -4.833 288 2HB GLU 36 HB2 GLU 36 5.426 -26.398 -6.272 289 1HG GLU 36 HG1 GLU 36 3.381 -26.341 -4.460 290 2HG GLU 36 HG2 GLU 36 4.550 -25.411 -3.547 291 NH1 ARG 37 NH1 ARG 37 2.133 -24.502 -10.973 292 NH2 ARG 37 NH2 ARG 37 0.649 -25.830 -10.053 293 H ARG 37 HN ARG 37 5.366 -28.638 -7.271 294 HA ARG 37 HA ARG 37 2.707 -29.527 -7.656 295 1HB ARG 37 HB1 ARG 37 5.207 -30.217 -9.224 296 2HB ARG 37 HB2 ARG 37 3.570 -30.535 -9.758 297 1HG ARG 37 HG1 ARG 37 4.705 -27.753 -9.233 298 2HG ARG 37 HG2 ARG 37 4.572 -28.497 -10.809 299 1HD ARG 37 HD1 ARG 37 2.145 -28.493 -10.681 300 2HD ARG 37 HD2 ARG 37 2.196 -27.900 -9.018 301 HE ARG 37 HE ARG 37 3.652 -26.130 -10.775 302 1HH1 ARG 37 HH12 ARG 37 3.100 -24.410 -11.272 303 2HH1 ARG 37 HH11 ARG 37 1.470 -23.775 -11.040 304 1HH2 ARG 37 HH22 ARG 37 0.441 -26.706 -9.647 305 2HH2 ARG 37 HH21 ARG 37 -0.014 -25.103 -10.121 306 H ALA 38 HN ALA 38 5.633 -31.586 -6.925 307 HA ALA 38 HA ALA 38 3.864 -33.759 -6.343 308 1HB ALA 38 HB3 ALA 38 6.817 -33.586 -6.158 309 2HB ALA 38 HB1 ALA 38 5.856 -35.007 -5.716 310 3HB ALA 38 HB2 ALA 38 5.737 -34.348 -7.347 311 H ALA 39 HN ALA 39 4.699 -31.177 -4.080 312 HA ALA 39 HA ALA 39 3.419 -32.570 -1.989 313 1HB ALA 39 HB3 ALA 39 4.370 -30.337 -1.687 314 2HB ALA 39 HB1 ALA 39 3.157 -29.648 -2.765 315 3HB ALA 39 HB2 ALA 39 2.671 -30.341 -1.217 316 NH1 ARG 40 NH1 ARG 40 0.114 -25.213 -6.512 317 NH2 ARG 40 NH2 ARG 40 1.502 -26.848 -6.599 318 H ARG 40 HN ARG 40 1.917 -30.913 -4.797 319 HA ARG 40 HA ARG 40 -0.730 -31.831 -4.220 320 1HB ARG 40 HB1 ARG 40 0.474 -31.107 -6.889 321 2HB ARG 40 HB2 ARG 40 -1.239 -31.356 -6.602 322 1HG ARG 40 HG1 ARG 40 -1.308 -29.409 -5.093 323 2HG ARG 40 HG2 ARG 40 0.422 -29.179 -5.268 324 1HD ARG 40 HD1 ARG 40 0.055 -28.891 -7.758 325 2HD ARG 40 HD2 ARG 40 -1.666 -28.981 -7.460 326 HE ARG 40 HE ARG 40 -1.579 -26.829 -6.425 327 1HH1 ARG 40 HH12 ARG 40 -0.795 -24.828 -6.504 328 2HH1 ARG 40 HH11 ARG 40 0.945 -24.660 -6.427 329 1HH2 ARG 40 HH22 ARG 40 1.714 -27.814 -6.580 330 2HH2 ARG 40 HH21 ARG 40 2.193 -26.115 -6.572 331 H ILE 41 HN ILE 41 1.606 -33.372 -6.541 332 HA ILE 41 HA ILE 41 0.251 -35.821 -6.607 333 HB ILE 41 HB ILE 41 3.190 -35.520 -7.339 334 1HG1 ILE 41 HG11 ILE 41 1.668 -36.002 -9.617 335 2HG1 ILE 41 HG12 ILE 41 0.640 -34.868 -8.713 336 1HG2 ILE 41 HG22 ILE 41 1.282 -37.708 -7.784 337 2HG2 ILE 41 HG23 ILE 41 2.913 -37.404 -8.532 338 3HG2 ILE 41 HG21 ILE 41 2.732 -37.744 -6.775 339 1HD1 ILE 41 HD12 ILE 41 3.552 -34.498 -9.094 340 2HD1 ILE 41 HD13 ILE 41 2.369 -33.834 -10.266 341 3HD1 ILE 41 HD11 ILE 41 2.407 -33.285 -8.581 342 H LYS 42 HN LYS 42 -0.297 -36.204 -4.905 343 HA LYS 42 HA LYS 42 1.283 -36.936 -2.492 344 1HB LYS 42 HB1 LYS 42 -0.805 -36.607 -1.200 345 2HB LYS 42 HB2 LYS 42 -0.273 -35.177 -2.067 346 1HG LYS 42 HG1 LYS 42 -1.963 -35.806 -3.891 347 2HG LYS 42 HG2 LYS 42 -2.577 -37.021 -2.787 348 1HD LYS 42 HD1 LYS 42 -3.482 -35.459 -1.332 349 2HD LYS 42 HD2 LYS 42 -2.369 -34.189 -1.806 350 1HE LYS 42 HE1 LYS 42 -4.454 -35.285 -3.716 351 2HE LYS 42 HE2 LYS 42 -4.816 -33.981 -2.590 352 1HZ LYS 42 HZ1 LYS 42 -2.492 -33.908 -4.518 353 2HZ LYS 42 HZ2 LYS 42 -4.014 -33.179 -4.787 354 3HZ LYS 42 HZ3 LYS 42 -3.046 -32.692 -3.486 355 H ILE 43 HN ILE 43 0.617 -38.798 -4.827 356 HA ILE 43 HA ILE 43 -1.436 -40.613 -4.071 357 HB ILE 43 HB ILE 43 0.798 -40.900 -6.076 358 1HG1 ILE 43 HG11 ILE 43 -0.521 -39.009 -6.700 359 2HG1 ILE 43 HG12 ILE 43 -0.805 -40.312 -7.818 360 1HG2 ILE 43 HG22 ILE 43 -1.688 -42.606 -5.900 361 2HG2 ILE 43 HG23 ILE 43 -0.563 -42.587 -7.256 362 3HG2 ILE 43 HG21 ILE 43 -0.027 -43.132 -5.678 363 1HD1 ILE 43 HD11 ILE 43 -3.013 -40.757 -6.747 364 2HD1 ILE 43 HD12 ILE 43 -2.729 -39.434 -5.622 365 3HD1 ILE 43 HD13 ILE 43 -2.887 -39.109 -7.340 366 H GLY 44 HN GLY 44 2.067 -40.795 -3.522 367 1HA GLY 44 HA1 GLY 44 1.614 -42.388 -1.207 368 2HA GLY 44 HA2 GLY 44 2.271 -43.388 -2.481 369 HA PRO 45 HA PRO 45 5.809 -41.123 0.063 370 1HB PRO 45 HB1 PRO 45 6.089 -44.036 0.886 371 2HB PRO 45 HB2 PRO 45 6.589 -42.567 1.747 372 1HG PRO 45 HG1 PRO 45 4.317 -43.691 2.459 373 2HG PRO 45 HG2 PRO 45 4.321 -41.935 2.193 374 1HD PRO 45 HD1 PRO 45 3.399 -44.133 0.312 375 2HD PRO 45 HD2 PRO 45 2.592 -42.610 0.750 376 H LYS 46 HN LYS 46 5.914 -44.382 -1.388 377 HA LYS 46 HA LYS 46 8.416 -44.173 -2.654 378 1HB LYS 46 HB1 LYS 46 6.017 -45.929 -3.127 379 2HB LYS 46 HB2 LYS 46 7.370 -45.958 -4.244 380 1HG LYS 46 HG1 LYS 46 8.874 -46.368 -2.215 381 2HG LYS 46 HG2 LYS 46 7.405 -46.675 -1.301 382 1HD LYS 46 HD1 LYS 46 6.821 -48.555 -2.617 383 2HD LYS 46 HD2 LYS 46 7.900 -48.108 -3.920 384 1HE LYS 46 HE1 LYS 46 8.783 -49.107 -1.202 385 2HE LYS 46 HE2 LYS 46 8.694 -50.072 -2.672 386 1HZ LYS 46 HZ2 LYS 46 10.213 -48.341 -3.736 387 2HZ LYS 46 HZ3 LYS 46 10.400 -47.704 -2.183 388 3HZ LYS 46 HZ1 LYS 46 10.925 -49.276 -2.482 389 H CYS 47 HN CYS 47 5.277 -43.074 -3.760 390 HA CYS 47 HA CYS 47 5.981 -42.479 -6.453 391 1HB CYS 47 HB1 CYS 47 3.646 -42.725 -5.821 392 2HB CYS 47 HB2 CYS 47 3.788 -41.420 -4.669 393 H VAL 48 HN VAL 48 5.475 -40.012 -3.771 394 HA VAL 48 HA VAL 48 6.877 -38.096 -4.837 395 HB VAL 48 HB VAL 48 7.727 -38.217 -2.003 396 1HG1 VAL 48 HG12 VAL 48 7.462 -36.129 -3.489 397 2HG1 VAL 48 HG13 VAL 48 5.751 -36.575 -3.610 398 3HG1 VAL 48 HG11 VAL 48 6.418 -36.032 -2.063 399 1HG2 VAL 48 HG21 VAL 48 5.911 -39.583 -1.640 400 2HG2 VAL 48 HG22 VAL 48 5.655 -37.989 -0.919 401 3HG2 VAL 48 HG23 VAL 48 4.799 -38.440 -2.397 402 H LYS 49 HN LYS 49 8.558 -40.676 -2.989 403 HA LYS 49 HA LYS 49 11.201 -39.780 -3.353 404 1HB LYS 49 HB1 LYS 49 10.098 -42.556 -3.020 405 2HB LYS 49 HB2 LYS 49 11.819 -42.272 -3.156 406 1HG LYS 49 HG1 LYS 49 11.677 -40.720 -1.176 407 2HG LYS 49 HG2 LYS 49 9.964 -41.093 -1.056 408 1HD LYS 49 HD1 LYS 49 10.473 -43.460 -0.643 409 2HD LYS 49 HD2 LYS 49 12.197 -43.134 -0.781 410 1HE LYS 49 HE1 LYS 49 12.055 -41.587 1.150 411 2HE LYS 49 HE2 LYS 49 10.329 -41.922 1.283 412 1HZ LYS 49 HZ1 LYS 49 10.842 -44.261 1.583 413 2HZ LYS 49 HZ2 LYS 49 12.498 -43.943 1.457 414 3HZ LYS 49 HZ3 LYS 49 11.619 -43.340 2.771 415 H ALA 50 HN ALA 50 9.574 -42.144 -5.536 416 HA ALA 50 HA ALA 50 11.450 -42.310 -7.652 417 1HB ALA 50 HB2 ALA 50 9.362 -43.658 -7.358 418 2HB ALA 50 HB3 ALA 50 8.405 -42.260 -7.773 419 3HB ALA 50 HB1 ALA 50 9.456 -43.007 -8.969 420 H PHE 51 HN PHE 51 8.730 -39.992 -7.301 421 HA PHE 51 HA PHE 51 9.139 -38.348 -9.513 422 1HB PHE 51 HB1 PHE 51 7.247 -38.491 -7.689 423 2HB PHE 51 HB2 PHE 51 8.189 -37.321 -6.811 424 HD1 PHE 51 HD1 PHE 51 8.880 -35.124 -8.350 425 HD2 PHE 51 HD2 PHE 51 5.436 -37.569 -8.912 426 HE1 PHE 51 HE1 PHE 51 7.891 -33.455 -9.846 427 HE2 PHE 51 HE2 PHE 51 4.465 -35.962 -10.293 428 HZ PHE 51 HZ PHE 51 5.704 -33.862 -10.887 429 H LYS 52 HN LYS 52 10.342 -37.756 -6.181 430 HA LYS 52 HA LYS 52 11.691 -35.369 -6.723 431 1HB LYS 52 HB1 LYS 52 10.943 -36.138 -4.521 432 2HB LYS 52 HB2 LYS 52 12.051 -37.480 -4.569 433 1HG LYS 52 HG1 LYS 52 13.966 -35.978 -4.280 434 2HG LYS 52 HG2 LYS 52 12.907 -34.575 -4.357 435 1HD LYS 52 HD1 LYS 52 11.721 -35.303 -2.352 436 2HD LYS 52 HD2 LYS 52 12.603 -36.811 -2.322 437 1HE LYS 52 HE1 LYS 52 13.452 -35.434 -0.589 438 2HE LYS 52 HE2 LYS 52 14.685 -35.549 -1.835 439 1HZ LYS 52 HZ3 LYS 52 12.765 -33.252 -1.909 440 2HZ LYS 52 HZ1 LYS 52 14.107 -33.243 -0.862 441 3HZ LYS 52 HZ2 LYS 52 14.340 -33.303 -2.540 442 H ASP 53 HN ASP 53 13.093 -38.745 -6.645 443 HA ASP 53 HA ASP 53 15.747 -37.740 -7.197 444 1HB ASP 53 HB1 ASP 53 14.580 -40.529 -7.247 445 2HB ASP 53 HB2 ASP 53 16.261 -40.195 -7.655 446 H CYS 54 HN CYS 54 13.288 -39.251 -9.335 447 HA CYS 54 HA CYS 54 14.635 -38.853 -11.762 448 1HB CYS 54 HB1 CYS 54 11.828 -39.249 -10.933 449 2HB CYS 54 HB2 CYS 54 12.047 -38.527 -12.501 450 H CYS 55 HN CYS 55 12.425 -36.440 -10.129 451 HA CYS 55 HA CYS 55 12.811 -34.396 -11.999 452 1HB CYS 55 HB1 CYS 55 11.109 -34.198 -10.264 453 2HB CYS 55 HB2 CYS 55 12.346 -34.061 -9.027 454 OH TYR 56 OH TYR 56 14.984 -32.492 -3.495 455 H TYR 56 HN TYR 56 14.907 -35.013 -9.088 456 HA TYR 56 HA TYR 56 16.684 -32.901 -9.611 457 1HB TYR 56 HB1 TYR 56 17.217 -35.549 -8.269 458 2HB TYR 56 HB2 TYR 56 18.360 -34.223 -8.286 459 HD1 TYR 56 HD1 TYR 56 17.576 -35.344 -5.776 460 HD2 TYR 56 HD2 TYR 56 15.545 -32.264 -7.921 461 HE1 TYR 56 HE1 TYR 56 16.610 -34.484 -3.688 462 HE2 TYR 56 HE2 TYR 56 14.594 -31.456 -5.850 463 HH TYR 56 HH TYR 56 14.379 -31.739 -3.706 464 H ILE 57 HN ILE 57 17.098 -36.299 -10.828 465 HA ILE 57 HA ILE 57 19.371 -35.550 -12.402 466 HB ILE 57 HB ILE 57 17.478 -37.849 -12.847 467 1HG1 ILE 57 HG11 ILE 57 18.318 -38.216 -10.713 468 2HG1 ILE 57 HG12 ILE 57 19.327 -39.207 -11.739 469 1HG2 ILE 57 HG23 ILE 57 20.284 -37.505 -13.949 470 2HG2 ILE 57 HG21 ILE 57 19.332 -38.983 -14.039 471 3HG2 ILE 57 HG22 ILE 57 18.795 -37.543 -14.883 472 1HD1 ILE 57 HD13 ILE 57 21.113 -37.457 -11.618 473 2HD1 ILE 57 HD11 ILE 57 20.065 -36.547 -10.525 474 3HD1 ILE 57 HD12 ILE 57 20.691 -38.120 -10.036 475 H ALA 58 HN ALA 58 16.016 -35.624 -13.271 476 HA ALA 58 HA ALA 58 16.175 -34.748 -15.986 477 1HB ALA 58 HB3 ALA 58 14.199 -35.695 -15.037 478 2HB ALA 58 HB1 ALA 58 13.963 -34.275 -14.029 479 3HB ALA 58 HB2 ALA 58 13.877 -34.142 -15.790 480 H ASN 59 HN ASN 59 15.798 -32.686 -13.053 481 HA ASN 59 HA ASN 59 16.000 -30.181 -14.320 482 1HB ASN 59 HB1 ASN 59 15.271 -30.636 -11.949 483 2HB ASN 59 HB2 ASN 59 16.949 -30.904 -11.520 484 1HD2 ASN 59 HD21 ASN 59 17.677 -27.423 -11.507 485 2HD2 ASN 59 HD22 ASN 59 18.358 -29.014 -11.320 486 H GLN 60 HN GLN 60 18.663 -32.149 -12.911 487 HA GLN 60 HA GLN 60 20.672 -30.317 -13.724 488 1HB GLN 60 HB1 GLN 60 20.699 -33.043 -12.546 489 2HB GLN 60 HB2 GLN 60 22.165 -32.476 -13.321 490 1HG GLN 60 HG1 GLN 60 22.343 -31.894 -10.987 491 2HG GLN 60 HG2 GLN 60 22.088 -30.410 -11.871 492 1HE2 GLN 60 HE21 GLN 60 19.396 -31.483 -9.092 493 2HE2 GLN 60 HE22 GLN 60 20.699 -32.562 -9.482 494 H VAL 61 HN VAL 61 19.483 -33.237 -15.565 495 HA VAL 61 HA VAL 61 21.204 -32.495 -17.729 496 HB VAL 61 HB VAL 61 20.019 -33.910 -19.228 497 1HG1 VAL 61 HG11 VAL 61 21.771 -34.875 -17.852 498 2HG1 VAL 61 HG12 VAL 61 20.616 -35.220 -16.566 499 3HG1 VAL 61 HG13 VAL 61 20.497 -36.059 -18.110 500 1HG2 VAL 61 HG21 VAL 61 17.694 -33.729 -18.481 501 2HG2 VAL 61 HG22 VAL 61 18.215 -35.408 -18.514 502 3HG2 VAL 61 HG23 VAL 61 18.120 -34.550 -16.981 503 NH1 ARG 62 NH1 ARG 62 13.383 -31.356 -20.658 504 NH2 ARG 62 NH2 ARG 62 15.361 -30.762 -21.398 505 H ARG 62 HN ARG 62 17.843 -31.384 -17.022 506 HA ARG 62 HA ARG 62 17.605 -29.787 -19.322 507 1HB ARG 62 HB1 ARG 62 15.763 -30.332 -17.763 508 2HB ARG 62 HB2 ARG 62 16.463 -29.270 -16.564 509 1HG ARG 62 HG1 ARG 62 14.593 -28.157 -17.626 510 2HG ARG 62 HG2 ARG 62 16.056 -27.320 -18.079 511 1HD ARG 62 HD1 ARG 62 14.607 -27.472 -19.993 512 2HD ARG 62 HD2 ARG 62 16.002 -28.484 -20.295 513 HE ARG 62 HE ARG 62 13.388 -29.597 -19.276 514 1HH1 ARG 62 HH12 ARG 62 12.628 -31.134 -20.037 515 2HH1 ARG 62 HH11 ARG 62 13.404 -32.156 -21.235 516 1HH2 ARG 62 HH22 ARG 62 16.171 -30.150 -21.384 517 2HH2 ARG 62 HH21 ARG 62 15.347 -31.558 -21.979 518 H ALA 63 HN ALA 63 19.134 -28.867 -16.197 519 HA ALA 63 HA ALA 63 20.029 -26.320 -16.912 520 1HB ALA 63 HB1 ALA 63 20.241 -27.261 -14.662 521 2HB ALA 63 HB2 ALA 63 21.434 -28.426 -15.235 522 3HB ALA 63 HB3 ALA 63 21.812 -26.704 -15.232 523 H GLU 64 HN GLU 64 21.354 -29.384 -17.998 524 HA GLU 64 HA GLU 64 23.481 -28.099 -19.534 525 1HB GLU 64 HB1 GLU 64 23.812 -30.245 -18.366 526 2HB GLU 64 HB2 GLU 64 22.575 -30.989 -19.343 527 1HG GLU 64 HG1 GLU 64 24.998 -29.807 -20.723 528 2HG GLU 64 HG2 GLU 64 25.152 -31.343 -19.897 529 H GLN 65 HN GLN 65 20.446 -29.931 -20.415 530 HA GLN 65 HA GLN 65 20.529 -28.435 -22.967 531 1HB GLN 65 HB1 GLN 65 19.828 -30.431 -24.207 532 2HB GLN 65 HB2 GLN 65 21.409 -30.575 -23.474 533 1HG GLN 65 HG1 GLN 65 20.363 -31.973 -21.624 534 2HG GLN 65 HG2 GLN 65 18.845 -31.910 -22.504 535 1HE2 GLN 65 HE21 GLN 65 21.768 -34.351 -23.858 536 2HE2 GLN 65 HE22 GLN 65 22.170 -33.182 -22.623 Start of MODEL 3 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 16.999 -40.970 -3.376 2 2H MET 1 HT3 MET 1 17.428 -40.620 -1.781 3 3H MET 1 HT2 MET 1 17.873 -39.573 -3.023 4 HA MET 1 HA MET 1 19.755 -40.879 -2.275 5 1HB MET 1 HB1 MET 1 17.901 -43.181 -2.912 6 2HB MET 1 HB2 MET 1 19.627 -43.375 -2.699 7 1HG MET 1 HG1 MET 1 19.448 -42.519 -0.377 8 2HG MET 1 HG2 MET 1 17.716 -42.327 -0.579 9 1HE MET 1 HE3 MET 1 20.627 -45.023 -0.838 10 2HE MET 1 HE1 MET 1 20.366 -44.557 0.857 11 3HE MET 1 HE2 MET 1 19.974 -46.178 0.308 12 H LEU 2 HN LEU 2 18.358 -39.922 -4.964 13 HA LEU 2 HA LEU 2 18.647 -39.854 -7.157 14 1HB LEU 2 HB1 LEU 2 21.547 -40.112 -6.399 15 2HB LEU 2 HB2 LEU 2 20.957 -39.533 -7.943 16 HG LEU 2 HG LEU 2 20.450 -38.194 -5.266 17 1HD1 LEU 2 HD12 LEU 2 22.817 -38.094 -5.904 18 2HD1 LEU 2 HD13 LEU 2 22.384 -37.475 -7.495 19 3HD1 LEU 2 HD11 LEU 2 22.079 -36.506 -6.058 20 1HD2 LEU 2 HD21 LEU 2 19.905 -37.161 -8.073 21 2HD2 LEU 2 HD22 LEU 2 18.677 -37.612 -6.893 22 3HD2 LEU 2 HD23 LEU 2 19.723 -36.241 -6.585 23 H GLN 3 HN GLN 3 21.345 -42.045 -7.106 24 HA GLN 3 HA GLN 3 20.433 -43.408 -9.443 25 1HB GLN 3 HB1 GLN 3 22.821 -42.873 -8.720 26 2HB GLN 3 HB2 GLN 3 22.698 -44.158 -7.547 27 1HG GLN 3 HG1 GLN 3 22.368 -44.636 -10.523 28 2HG GLN 3 HG2 GLN 3 23.927 -44.658 -9.737 29 1HE2 GLN 3 HE21 GLN 3 22.190 -48.085 -9.979 30 2HE2 GLN 3 HE22 GLN 3 22.129 -46.750 -11.086 31 H LYS 4 HN LYS 4 20.791 -44.422 -6.078 32 HA LYS 4 HA LYS 4 20.040 -47.114 -6.433 33 1HB LYS 4 HB1 LYS 4 20.365 -45.343 -4.015 34 2HB LYS 4 HB2 LYS 4 19.823 -47.004 -3.855 35 1HG LYS 4 HG1 LYS 4 22.318 -46.400 -5.460 36 2HG LYS 4 HG2 LYS 4 22.399 -46.447 -3.710 37 1HD LYS 4 HD1 LYS 4 21.849 -48.728 -3.606 38 2HD LYS 4 HD2 LYS 4 21.146 -48.761 -5.204 39 1HE LYS 4 HE1 LYS 4 24.088 -48.208 -4.862 40 2HE LYS 4 HE2 LYS 4 23.469 -49.855 -4.799 41 1HZ LYS 4 HZ2 LYS 4 22.339 -49.467 -6.971 42 2HZ LYS 4 HZ3 LYS 4 23.051 -47.917 -7.104 43 3HZ LYS 4 HZ1 LYS 4 24.028 -49.301 -7.074 44 H LYS 5 HN LYS 5 17.964 -44.376 -5.346 45 HA LYS 5 HA LYS 5 15.720 -46.150 -5.300 46 1HB LYS 5 HB1 LYS 5 15.975 -43.263 -4.689 47 2HB LYS 5 HB2 LYS 5 14.408 -43.825 -5.199 48 1HG LYS 5 HG1 LYS 5 15.946 -45.082 -2.899 49 2HG LYS 5 HG2 LYS 5 14.743 -43.819 -2.705 50 1HD LYS 5 HD1 LYS 5 13.064 -45.322 -3.824 51 2HD LYS 5 HD2 LYS 5 14.262 -46.599 -3.851 52 1HE LYS 5 HE1 LYS 5 14.378 -46.469 -1.356 53 2HE LYS 5 HE2 LYS 5 13.015 -45.344 -1.413 54 1HZ LYS 5 HZ2 LYS 5 11.852 -47.102 -2.857 55 2HZ LYS 5 HZ3 LYS 5 13.072 -48.176 -2.525 56 3HZ LYS 5 HZ1 LYS 5 12.126 -47.579 -1.235 57 H ILE 6 HN ILE 6 16.808 -43.908 -7.961 58 HA ILE 6 HA ILE 6 14.572 -44.639 -9.582 59 HB ILE 6 HB ILE 6 17.339 -44.161 -10.720 60 1HG1 ILE 6 HG11 ILE 6 15.134 -42.122 -10.313 61 2HG1 ILE 6 HG12 ILE 6 16.515 -42.292 -9.246 62 1HG2 ILE 6 HG22 ILE 6 15.701 -45.189 -12.341 63 2HG2 ILE 6 HG23 ILE 6 14.539 -43.916 -12.033 64 3HG2 ILE 6 HG21 ILE 6 16.058 -43.551 -12.811 65 1HD1 ILE 6 HD11 ILE 6 18.051 -41.778 -11.093 66 2HD1 ILE 6 HD12 ILE 6 16.683 -41.552 -12.184 67 3HD1 ILE 6 HD13 ILE 6 16.888 -40.487 -10.808 68 H GLU 7 HN GLU 7 17.733 -46.268 -9.069 69 HA GLU 7 HA GLU 7 17.257 -48.568 -10.610 70 1HB GLU 7 HB1 GLU 7 19.402 -47.839 -9.613 71 2HB GLU 7 HB2 GLU 7 18.802 -48.280 -8.033 72 1HG GLU 7 HG1 GLU 7 18.809 -50.661 -8.611 73 2HG GLU 7 HG2 GLU 7 19.223 -50.291 -10.284 74 H GLU 8 HN GLU 8 16.639 -48.438 -6.966 75 HA GLU 8 HA GLU 8 15.399 -51.010 -7.157 76 1HB GLU 8 HB1 GLU 8 16.595 -50.050 -5.163 77 2HB GLU 8 HB2 GLU 8 15.264 -48.961 -4.896 78 1HG GLU 8 HG1 GLU 8 14.689 -51.926 -4.878 79 2HG GLU 8 HG2 GLU 8 15.542 -51.246 -3.513 80 H GLU 9 HN GLU 9 13.829 -47.812 -7.581 81 HA GLU 9 HA GLU 9 11.224 -49.172 -7.613 82 1HB GLU 9 HB1 GLU 9 11.874 -46.330 -8.392 83 2HB GLU 9 HB2 GLU 9 10.275 -47.024 -8.187 84 1HG GLU 9 HG1 GLU 9 12.354 -46.698 -5.982 85 2HG GLU 9 HG2 GLU 9 11.000 -45.646 -6.214 86 H ALA 10 HN ALA 10 12.994 -47.373 -10.228 87 HA ALA 10 HA ALA 10 11.502 -48.782 -12.258 88 1HB ALA 10 HB2 ALA 10 13.870 -46.921 -12.443 89 2HB ALA 10 HB3 ALA 10 12.933 -47.494 -13.824 90 3HB ALA 10 HB1 ALA 10 12.169 -46.485 -12.603 91 H ALA 11 HN ALA 11 14.432 -50.135 -10.727 92 HA ALA 11 HA ALA 11 14.663 -52.032 -12.867 93 1HB ALA 11 HB3 ALA 11 15.300 -52.305 -9.891 94 2HB ALA 11 HB1 ALA 11 15.737 -53.503 -11.133 95 3HB ALA 11 HB2 ALA 11 16.413 -51.878 -11.177 96 H LYS 12 HN LYS 12 12.728 -51.983 -9.935 97 HA LYS 12 HA LYS 12 11.481 -54.559 -10.427 98 1HB LYS 12 HB1 LYS 12 11.174 -52.463 -8.281 99 2HB LYS 12 HB2 LYS 12 10.226 -53.924 -8.323 100 1HG LYS 12 HG1 LYS 12 12.237 -55.306 -7.949 101 2HG LYS 12 HG2 LYS 12 13.259 -53.859 -8.010 102 1HD LYS 12 HD1 LYS 12 12.031 -52.862 -6.166 103 2HD LYS 12 HD2 LYS 12 10.900 -54.198 -6.160 104 1HE LYS 12 HE1 LYS 12 12.555 -55.685 -5.239 105 2HE LYS 12 HE2 LYS 12 13.769 -54.397 -5.297 106 1HZ LYS 12 HZ2 LYS 12 11.099 -54.138 -3.885 107 2HZ LYS 12 HZ3 LYS 12 12.581 -54.489 -3.111 108 3HZ LYS 12 HZ1 LYS 12 12.349 -52.986 -3.888 109 OH TYR 13 OH TYR 13 11.029 -48.845 -17.483 110 H TYR 13 HN TYR 13 10.805 -53.504 -12.539 111 HA TYR 13 HA TYR 13 8.578 -51.893 -12.886 112 1HB TYR 13 HB1 TYR 13 9.841 -54.078 -14.466 113 2HB TYR 13 HB2 TYR 13 8.218 -53.631 -14.928 114 HD1 TYR 13 HD1 TYR 13 8.751 -52.711 -17.041 115 HD2 TYR 13 HD2 TYR 13 10.779 -51.094 -13.643 116 HE1 TYR 13 HE1 TYR 13 9.559 -50.836 -18.392 117 HE2 TYR 13 HE2 TYR 13 11.572 -49.273 -15.015 118 HH TYR 13 HH TYR 13 10.799 -48.970 -18.409 119 H LYS 14 HN LYS 14 8.375 -54.975 -11.384 120 HA LYS 14 HA LYS 14 5.590 -55.368 -11.366 121 1HB LYS 14 HB1 LYS 14 7.375 -56.853 -10.415 122 2HB LYS 14 HB2 LYS 14 7.582 -55.725 -9.091 123 1HG LYS 14 HG1 LYS 14 5.200 -56.129 -8.413 124 2HG LYS 14 HG2 LYS 14 5.050 -57.289 -9.713 125 1HD LYS 14 HD1 LYS 14 7.060 -57.557 -7.458 126 2HD LYS 14 HD2 LYS 14 5.454 -58.255 -7.412 127 1HE LYS 14 HE1 LYS 14 5.992 -59.598 -9.436 128 2HE LYS 14 HE2 LYS 14 7.627 -58.939 -9.424 129 1HZ LYS 14 HZ2 LYS 14 7.915 -59.779 -7.181 130 2HZ LYS 14 HZ3 LYS 14 6.353 -60.422 -7.197 131 3HZ LYS 14 HZ1 LYS 14 7.534 -61.047 -8.237 132 OH TYR 15 OH TYR 15 9.528 -54.106 -3.632 133 H TYR 15 HN TYR 15 7.522 -52.901 -9.596 134 HA TYR 15 HA TYR 15 5.211 -51.925 -8.087 135 1HB TYR 15 HB1 TYR 15 8.015 -50.832 -8.457 136 2HB TYR 15 HB2 TYR 15 6.814 -50.117 -7.420 137 HD1 TYR 15 HD1 TYR 15 9.145 -50.425 -6.148 138 HD2 TYR 15 HD2 TYR 15 6.346 -53.566 -6.787 139 HE1 TYR 15 HE1 TYR 15 10.208 -51.757 -4.373 140 HE2 TYR 15 HE2 TYR 15 7.374 -54.844 -4.975 141 HH TYR 15 HH TYR 15 9.019 -54.904 -3.453 142 H ALA 16 HN ALA 16 4.176 -51.877 -10.288 143 HA ALA 16 HA ALA 16 4.912 -50.358 -12.464 144 1HB ALA 16 HB2 ALA 16 2.122 -51.173 -11.601 145 2HB ALA 16 HB3 ALA 16 2.566 -50.640 -13.221 146 3HB ALA 16 HB1 ALA 16 3.256 -52.117 -12.562 147 H MET 17 HN MET 17 2.567 -49.276 -10.034 148 HA MET 17 HA MET 17 2.177 -46.655 -11.082 149 1HB MET 17 HB1 MET 17 1.678 -47.790 -8.313 150 2HB MET 17 HB2 MET 17 1.196 -46.182 -8.816 151 1HG MET 17 HG1 MET 17 -0.252 -47.122 -10.569 152 2HG MET 17 HG2 MET 17 0.225 -48.749 -10.127 153 1HE MET 17 HE3 MET 17 -0.177 -49.655 -7.476 154 2HE MET 17 HE1 MET 17 -1.905 -49.651 -7.174 155 3HE MET 17 HE2 MET 17 -1.313 -50.186 -8.736 156 H LEU 18 HN LEU 18 4.674 -47.934 -8.972 157 HA LEU 18 HA LEU 18 5.393 -45.307 -7.908 158 1HB LEU 18 HB1 LEU 18 6.733 -47.973 -7.391 159 2HB LEU 18 HB2 LEU 18 6.931 -46.502 -6.474 160 HG LEU 18 HG LEU 18 4.368 -48.123 -6.642 161 1HD1 LEU 18 HD11 LEU 18 6.354 -47.817 -4.383 162 2HD1 LEU 18 HD12 LEU 18 4.815 -48.668 -4.280 163 3HD1 LEU 18 HD13 LEU 18 6.087 -49.267 -5.337 164 1HD2 LEU 18 HD23 LEU 18 5.016 -45.680 -4.981 165 2HD2 LEU 18 HD21 LEU 18 3.878 -45.734 -6.319 166 3HD2 LEU 18 HD22 LEU 18 3.538 -46.640 -4.845 167 H LYS 19 HN LYS 19 6.999 -47.792 -9.990 168 HA LYS 19 HA LYS 19 8.957 -45.900 -10.814 169 1HB LYS 19 HB1 LYS 19 9.470 -47.413 -12.648 170 2HB LYS 19 HB2 LYS 19 9.243 -48.318 -11.173 171 1HG LYS 19 HG1 LYS 19 8.065 -49.712 -12.491 172 2HG LYS 19 HG2 LYS 19 6.758 -48.588 -12.206 173 1HD LYS 19 HD1 LYS 19 7.310 -47.421 -14.341 174 2HD LYS 19 HD2 LYS 19 8.600 -48.574 -14.616 175 1HE LYS 19 HE1 LYS 19 6.860 -50.409 -14.554 176 2HE LYS 19 HE2 LYS 19 5.629 -49.145 -14.464 177 1HZ LYS 19 HZ1 LYS 19 6.524 -48.190 -16.490 178 2HZ LYS 19 HZ2 LYS 19 7.692 -49.416 -16.567 179 3HZ LYS 19 HZ3 LYS 19 6.050 -49.796 -16.764 180 H LYS 20 HN LYS 20 5.581 -46.397 -12.146 181 HA LYS 20 HA LYS 20 5.839 -44.354 -14.071 182 1HB LYS 20 HB1 LYS 20 3.865 -45.904 -13.755 183 2HB LYS 20 HB2 LYS 20 3.385 -44.954 -12.377 184 1HG LYS 20 HG1 LYS 20 3.638 -43.624 -15.070 185 2HG LYS 20 HG2 LYS 20 2.228 -44.592 -14.708 186 1HD LYS 20 HD1 LYS 20 1.738 -43.122 -12.752 187 2HD LYS 20 HD2 LYS 20 3.126 -42.130 -13.167 188 1HE LYS 20 HE1 LYS 20 2.111 -41.650 -15.377 189 2HE LYS 20 HE2 LYS 20 0.677 -42.553 -14.884 190 1HZ LYS 20 HZ2 LYS 20 0.549 -41.056 -12.926 191 2HZ LYS 20 HZ3 LYS 20 1.805 -40.070 -13.533 192 3HZ LYS 20 HZ1 LYS 20 0.348 -40.232 -14.387 193 H CYS 21 HN CYS 21 5.073 -43.903 -10.454 194 HA CYS 21 HA CYS 21 5.179 -41.146 -10.414 195 1HB CYS 21 HB1 CYS 21 6.330 -43.100 -8.442 196 2HB CYS 21 HB2 CYS 21 6.223 -41.382 -8.145 197 H CYS 22 HN CYS 22 8.120 -43.228 -10.312 198 HA CYS 22 HA CYS 22 10.135 -41.274 -10.841 199 1HB CYS 22 HB1 CYS 22 10.249 -43.891 -10.612 200 2HB CYS 22 HB2 CYS 22 10.474 -43.707 -12.310 201 OH TYR 23 OH TYR 23 11.933 -46.877 -16.022 202 H TYR 23 HN TYR 23 8.242 -42.783 -13.336 203 HA TYR 23 HA TYR 23 9.511 -41.076 -15.242 204 1HB TYR 23 HB1 TYR 23 7.214 -42.957 -15.524 205 2HB TYR 23 HB2 TYR 23 8.169 -42.276 -16.829 206 HD1 TYR 23 HD1 TYR 23 10.733 -42.988 -14.151 207 HD2 TYR 23 HD2 TYR 23 7.904 -44.994 -16.698 208 HE1 TYR 23 HE1 TYR 23 12.335 -44.729 -14.655 209 HE2 TYR 23 HE2 TYR 23 9.554 -46.817 -17.051 210 HH TYR 23 HH TYR 23 11.567 -47.593 -16.595 211 H ASP 24 HN ASP 24 6.430 -40.782 -13.618 212 HA ASP 24 HA ASP 24 5.483 -38.333 -14.621 213 1HB ASP 24 HB1 ASP 24 4.809 -40.015 -12.561 214 2HB ASP 24 HB2 ASP 24 5.440 -38.674 -11.638 215 H GLY 25 HN GLY 25 7.859 -38.717 -11.934 216 1HA GLY 25 HA1 GLY 25 8.656 -36.003 -11.818 217 2HA GLY 25 HA2 GLY 25 9.591 -37.353 -11.228 218 H ALA 26 HN ALA 26 10.130 -38.644 -13.705 219 HA ALA 26 HA ALA 26 12.212 -37.171 -14.885 220 1HB ALA 26 HB3 ALA 26 12.080 -39.607 -15.055 221 2HB ALA 26 HB1 ALA 26 10.666 -39.469 -16.100 222 3HB ALA 26 HB2 ALA 26 12.228 -38.880 -16.651 223 OH TYR 27 OH TYR 27 4.003 -33.282 -21.137 224 H TYR 27 HN TYR 27 8.833 -37.499 -16.077 225 HA TYR 27 HA TYR 27 9.169 -35.581 -18.164 226 1HB TYR 27 HB1 TYR 27 7.408 -37.331 -18.070 227 2HB TYR 27 HB2 TYR 27 6.688 -36.520 -16.700 228 HD1 TYR 27 HD1 TYR 27 7.844 -35.394 -20.142 229 HD2 TYR 27 HD2 TYR 27 4.698 -35.450 -17.278 230 HE1 TYR 27 HE1 TYR 27 6.449 -34.064 -21.644 231 HE2 TYR 27 HE2 TYR 27 3.300 -34.123 -18.817 232 HH TYR 27 HH TYR 27 4.470 -33.095 -21.953 233 NH1 ARG 28 NH1 ARG 28 12.531 -27.898 -12.574 234 NH2 ARG 28 NH2 ARG 28 10.466 -28.258 -12.084 235 H ARG 28 HN ARG 28 10.505 -34.113 -16.671 236 HA ARG 28 HA ARG 28 9.032 -32.157 -15.192 237 1HB ARG 28 HB1 ARG 28 11.845 -32.426 -16.113 238 2HB ARG 28 HB2 ARG 28 11.294 -30.804 -15.763 239 1HG ARG 28 HG1 ARG 28 10.842 -33.028 -13.767 240 2HG ARG 28 HG2 ARG 28 12.377 -32.195 -13.852 241 1HD ARG 28 HD1 ARG 28 9.790 -30.652 -13.518 242 2HD ARG 28 HD2 ARG 28 10.673 -31.328 -12.158 243 HE ARG 28 HE ARG 28 12.526 -29.878 -13.734 244 1HH1 ARG 28 HH12 ARG 28 13.433 -28.231 -12.898 245 2HH1 ARG 28 HH11 ARG 28 12.389 -26.978 -12.220 246 1HH2 ARG 28 HH22 ARG 28 9.582 -28.753 -12.118 247 2HH2 ARG 28 HH21 ARG 28 10.552 -27.366 -11.618 248 H ASN 29 HN ASN 29 7.322 -31.799 -16.619 249 HA ASN 29 HA ASN 29 7.660 -29.929 -18.824 250 1HB ASN 29 HB1 ASN 29 5.171 -29.934 -18.880 251 2HB ASN 29 HB2 ASN 29 5.854 -31.543 -18.960 252 1HD2 ASN 29 HD21 ASN 29 4.856 -32.253 -15.542 253 2HD2 ASN 29 HD22 ASN 29 5.553 -32.956 -16.964 254 H ASP 30 HN ASP 30 6.849 -29.730 -15.484 255 HA ASP 30 HA ASP 30 5.521 -27.264 -15.371 256 1HB ASP 30 HB1 ASP 30 5.953 -27.524 -12.854 257 2HB ASP 30 HB2 ASP 30 5.091 -28.817 -13.670 258 H ASP 31 HN ASP 31 8.941 -27.608 -15.564 259 HA ASP 31 HA ASP 31 10.680 -26.184 -15.543 260 1HB ASP 31 HB1 ASP 31 8.568 -24.031 -15.830 261 2HB ASP 31 HB2 ASP 31 10.291 -23.789 -16.064 262 H GLU 32 HN GLU 32 8.288 -24.824 -13.292 263 HA GLU 32 HA GLU 32 10.271 -23.577 -11.603 264 1HB GLU 32 HB1 GLU 32 7.301 -24.016 -11.223 265 2HB GLU 32 HB2 GLU 32 8.308 -23.080 -10.125 266 1HG GLU 32 HG1 GLU 32 8.875 -21.507 -11.984 267 2HG GLU 32 HG2 GLU 32 7.843 -22.426 -13.070 268 H THR 33 HN THR 33 8.196 -25.147 -9.279 269 HA THR 33 HA THR 33 10.399 -26.973 -8.671 270 HB THR 33 HB THR 33 9.413 -26.953 -6.342 271 HG1 THR 33 HG1 THR 33 7.823 -25.531 -5.866 272 1HG2 THR 33 HG21 THR 33 11.399 -25.605 -6.871 273 2HG2 THR 33 HG22 THR 33 10.346 -24.288 -7.403 274 3HG2 THR 33 HG23 THR 33 10.335 -24.792 -5.718 275 H CYS 34 HN CYS 34 10.106 -29.090 -8.893 276 HA CYS 34 HA CYS 34 7.591 -30.294 -9.416 277 1HB CYS 34 HB1 CYS 34 8.680 -32.394 -9.482 278 2HB CYS 34 HB2 CYS 34 9.635 -31.201 -10.315 279 H GLU 35 HN GLU 35 9.170 -29.622 -6.422 280 HA GLU 35 HA GLU 35 7.958 -31.520 -4.727 281 1HB GLU 35 HB1 GLU 35 8.888 -28.668 -4.146 282 2HB GLU 35 HB2 GLU 35 8.461 -29.827 -2.913 283 1HG GLU 35 HG1 GLU 35 10.823 -29.857 -2.950 284 2HG GLU 35 HG2 GLU 35 10.360 -31.307 -3.790 285 H GLU 36 HN GLU 36 6.653 -28.358 -5.759 286 HA GLU 36 HA GLU 36 4.311 -28.510 -4.110 287 1HB GLU 36 HB1 GLU 36 5.191 -26.785 -6.412 288 2HB GLU 36 HB2 GLU 36 3.491 -26.795 -5.995 289 1HG GLU 36 HG1 GLU 36 4.690 -24.940 -4.870 290 2HG GLU 36 HG2 GLU 36 3.990 -26.039 -3.703 291 NH1 ARG 37 NH1 ARG 37 5.076 -34.856 -13.535 292 NH2 ARG 37 NH2 ARG 37 6.212 -33.023 -13.796 293 H ARG 37 HN ARG 37 4.818 -29.206 -7.522 294 HA ARG 37 HA ARG 37 2.420 -30.457 -8.219 295 1HB ARG 37 HB1 ARG 37 4.147 -29.844 -9.812 296 2HB ARG 37 HB2 ARG 37 5.292 -30.934 -9.058 297 1HG ARG 37 HG1 ARG 37 3.971 -32.874 -9.817 298 2HG ARG 37 HG2 ARG 37 2.810 -31.798 -10.583 299 1HD ARG 37 HD1 ARG 37 4.440 -31.075 -12.181 300 2HD ARG 37 HD2 ARG 37 5.763 -31.799 -11.258 301 HE ARG 37 HE ARG 37 3.761 -33.748 -12.029 302 1HH1 ARG 37 HH12 ARG 37 4.345 -35.432 -13.143 303 2HH1 ARG 37 HH11 ARG 37 5.726 -35.252 -14.184 304 1HH2 ARG 37 HH22 ARG 37 6.440 -32.065 -13.554 305 2HH2 ARG 37 HH21 ARG 37 6.724 -33.501 -14.527 306 H ALA 38 HN ALA 38 5.359 -32.154 -6.895 307 HA ALA 38 HA ALA 38 3.824 -34.497 -6.338 308 1HB ALA 38 HB2 ALA 38 6.681 -33.832 -5.881 309 2HB ALA 38 HB3 ALA 38 5.919 -35.392 -5.480 310 3HB ALA 38 HB1 ALA 38 5.863 -34.812 -7.138 311 H ALA 39 HN ALA 39 4.286 -31.707 -4.170 312 HA ALA 39 HA ALA 39 3.035 -33.058 -2.039 313 1HB ALA 39 HB1 ALA 39 3.925 -30.813 -1.791 314 2HB ALA 39 HB2 ALA 39 2.726 -30.182 -2.913 315 3HB ALA 39 HB3 ALA 39 2.216 -30.830 -1.354 316 NH1 ARG 40 NH1 ARG 40 0.782 -28.414 -3.692 317 NH2 ARG 40 NH2 ARG 40 -1.384 -28.309 -4.000 318 H ARG 40 HN ARG 40 1.447 -31.778 -5.032 319 HA ARG 40 HA ARG 40 -1.042 -33.009 -4.296 320 1HB ARG 40 HB1 ARG 40 0.075 -32.121 -6.926 321 2HB ARG 40 HB2 ARG 40 -1.382 -33.085 -6.896 322 1HG ARG 40 HG1 ARG 40 -2.581 -31.230 -6.599 323 2HG ARG 40 HG2 ARG 40 -1.878 -31.064 -5.009 324 1HD ARG 40 HD1 ARG 40 -0.516 -29.925 -7.446 325 2HD ARG 40 HD2 ARG 40 -1.758 -29.032 -6.607 326 HE ARG 40 HE ARG 40 0.958 -29.619 -5.582 327 1HH1 ARG 40 HH12 ARG 40 1.651 -28.749 -4.045 328 2HH1 ARG 40 HH11 ARG 40 0.688 -27.904 -2.852 329 1HH2 ARG 40 HH22 ARG 40 -2.160 -28.555 -4.559 330 2HH2 ARG 40 HH21 ARG 40 -1.466 -27.794 -3.162 331 H ILE 41 HN ILE 41 1.547 -34.466 -6.359 332 HA ILE 41 HA ILE 41 0.397 -37.004 -6.341 333 HB ILE 41 HB ILE 41 3.314 -36.529 -7.046 334 1HG1 ILE 41 HG11 ILE 41 1.841 -37.197 -9.308 335 2HG1 ILE 41 HG12 ILE 41 0.722 -36.125 -8.446 336 1HG2 ILE 41 HG21 ILE 41 1.558 -38.851 -7.399 337 2HG2 ILE 41 HG22 ILE 41 3.166 -38.465 -8.167 338 3HG2 ILE 41 HG23 ILE 41 3.014 -38.745 -6.396 339 1HD1 ILE 41 HD13 ILE 41 3.604 -35.508 -8.781 340 2HD1 ILE 41 HD11 ILE 41 2.391 -35.004 -10.001 341 3HD1 ILE 41 HD12 ILE 41 2.336 -34.396 -8.339 342 H LYS 42 HN LYS 42 -0.198 -37.345 -4.631 343 HA LYS 42 HA LYS 42 1.394 -38.132 -2.248 344 1HB LYS 42 HB1 LYS 42 -1.464 -37.216 -2.526 345 2HB LYS 42 HB2 LYS 42 -0.963 -38.089 -1.099 346 1HG LYS 42 HG1 LYS 42 0.325 -35.503 -2.036 347 2HG LYS 42 HG2 LYS 42 -0.980 -35.583 -0.874 348 1HD LYS 42 HD1 LYS 42 0.485 -36.998 0.607 349 2HD LYS 42 HD2 LYS 42 1.803 -36.756 -0.531 350 1HE LYS 42 HE1 LYS 42 1.623 -34.304 -0.204 351 2HE LYS 42 HE2 LYS 42 0.357 -34.574 0.991 352 1HZ LYS 42 HZ3 LYS 42 1.890 -35.955 2.249 353 2HZ LYS 42 HZ1 LYS 42 3.104 -35.684 1.105 354 3HZ LYS 42 HZ2 LYS 42 2.535 -34.400 2.053 355 H ILE 43 HN ILE 43 1.000 -39.985 -4.542 356 HA ILE 43 HA ILE 43 -0.877 -42.016 -3.818 357 HB ILE 43 HB ILE 43 1.476 -42.135 -5.695 358 1HG1 ILE 43 HG11 ILE 43 -0.018 -40.443 -6.483 359 2HG1 ILE 43 HG12 ILE 43 -0.077 -41.823 -7.542 360 1HG2 ILE 43 HG22 ILE 43 -0.807 -44.104 -5.533 361 2HG2 ILE 43 HG23 ILE 43 0.380 -44.030 -6.833 362 3HG2 ILE 43 HG21 ILE 43 0.889 -44.421 -5.200 363 1HD1 ILE 43 HD12 ILE 43 -2.277 -42.482 -6.570 364 2HD1 ILE 43 HD13 ILE 43 -2.218 -41.083 -5.503 365 3HD1 ILE 43 HD11 ILE 43 -2.311 -40.861 -7.242 366 H GLY 44 HN GLY 44 2.584 -41.700 -3.076 367 1HA GLY 44 HA1 GLY 44 2.232 -43.136 -0.665 368 2HA GLY 44 HA2 GLY 44 2.993 -44.196 -1.828 369 HA PRO 45 HA PRO 45 6.287 -41.485 0.549 370 1HB PRO 45 HB1 PRO 45 6.868 -44.297 1.540 371 2HB PRO 45 HB2 PRO 45 7.177 -42.739 2.328 372 1HG PRO 45 HG1 PRO 45 5.036 -44.082 3.062 373 2HG PRO 45 HG2 PRO 45 4.843 -42.352 2.707 374 1HD PRO 45 HD1 PRO 45 4.225 -44.731 0.920 375 2HD PRO 45 HD2 PRO 45 3.230 -43.303 1.283 376 H LYS 46 HN LYS 46 6.694 -44.758 -0.695 377 HA LYS 46 HA LYS 46 9.194 -44.518 -1.971 378 1HB LYS 46 HB1 LYS 46 6.855 -46.403 -2.186 379 2HB LYS 46 HB2 LYS 46 8.142 -46.503 -3.369 380 1HG LYS 46 HG1 LYS 46 9.796 -46.919 -1.659 381 2HG LYS 46 HG2 LYS 46 8.614 -46.691 -0.382 382 1HD LYS 46 HD1 LYS 46 7.694 -48.763 -0.659 383 2HD LYS 46 HD2 LYS 46 7.863 -48.747 -2.397 384 1HE LYS 46 HE1 LYS 46 10.306 -49.075 -0.654 385 2HE LYS 46 HE2 LYS 46 9.247 -50.443 -0.964 386 1HZ LYS 46 HZ2 LYS 46 10.425 -48.723 -3.156 387 2HZ LYS 46 HZ3 LYS 46 11.027 -50.251 -2.693 388 3HZ LYS 46 HZ1 LYS 46 9.460 -50.078 -3.307 389 H CYS 47 HN CYS 47 5.977 -43.756 -3.158 390 HA CYS 47 HA CYS 47 6.613 -43.236 -5.874 391 1HB CYS 47 HB1 CYS 47 4.303 -43.527 -5.236 392 2HB CYS 47 HB2 CYS 47 4.411 -42.223 -4.082 393 H VAL 48 HN VAL 48 5.989 -40.739 -3.314 394 HA VAL 48 HA VAL 48 7.192 -38.781 -4.564 395 HB VAL 48 HB VAL 48 7.976 -38.102 -1.907 396 1HG1 VAL 48 HG11 VAL 48 6.636 -36.658 -3.665 397 2HG1 VAL 48 HG12 VAL 48 5.272 -37.712 -3.342 398 3HG1 VAL 48 HG13 VAL 48 5.886 -36.655 -2.074 399 1HG2 VAL 48 HG22 VAL 48 6.999 -39.929 -0.994 400 2HG2 VAL 48 HG23 VAL 48 6.116 -38.465 -0.555 401 3HG2 VAL 48 HG21 VAL 48 5.447 -39.581 -1.742 402 H LYS 49 HN LYS 49 9.146 -41.131 -2.666 403 HA LYS 49 HA LYS 49 11.687 -39.976 -3.191 404 1HB LYS 49 HB1 LYS 49 11.252 -42.964 -3.112 405 2HB LYS 49 HB2 LYS 49 12.727 -42.085 -2.787 406 1HG LYS 49 HG1 LYS 49 10.258 -42.186 -1.072 407 2HG LYS 49 HG2 LYS 49 11.785 -42.961 -0.748 408 1HD LYS 49 HD1 LYS 49 12.867 -40.940 -0.186 409 2HD LYS 49 HD2 LYS 49 11.613 -39.939 -0.887 410 1HE LYS 49 HE1 LYS 49 11.169 -41.755 1.500 411 2HE LYS 49 HE2 LYS 49 11.586 -40.050 1.625 412 1HZ LYS 49 HZ3 LYS 49 9.214 -41.112 0.120 413 2HZ LYS 49 HZ1 LYS 49 9.166 -40.395 1.670 414 3HZ LYS 49 HZ2 LYS 49 9.654 -39.495 0.323 415 H ALA 50 HN ALA 50 10.127 -42.553 -5.176 416 HA ALA 50 HA ALA 50 11.876 -42.713 -7.381 417 1HB ALA 50 HB2 ALA 50 9.865 -44.139 -6.925 418 2HB ALA 50 HB3 ALA 50 8.833 -42.812 -7.373 419 3HB ALA 50 HB1 ALA 50 9.871 -43.573 -8.574 420 H PHE 51 HN PHE 51 9.061 -40.578 -6.969 421 HA PHE 51 HA PHE 51 9.217 -38.974 -9.240 422 1HB PHE 51 HB1 PHE 51 7.463 -39.167 -7.275 423 2HB PHE 51 HB2 PHE 51 8.387 -37.898 -6.518 424 HD1 PHE 51 HD1 PHE 51 8.766 -35.690 -8.051 425 HD2 PHE 51 HD2 PHE 51 5.618 -38.503 -8.628 426 HE1 PHE 51 HE1 PHE 51 7.681 -34.205 -9.672 427 HE2 PHE 51 HE2 PHE 51 4.532 -37.037 -10.093 428 HZ PHE 51 HZ PHE 51 5.589 -34.874 -10.745 429 H LYS 52 HN LYS 52 10.636 -38.237 -6.010 430 HA LYS 52 HA LYS 52 11.730 -35.758 -6.770 431 1HB LYS 52 HB1 LYS 52 11.395 -37.129 -4.376 432 2HB LYS 52 HB2 LYS 52 13.105 -37.289 -4.584 433 1HG LYS 52 HG1 LYS 52 12.731 -35.379 -3.222 434 2HG LYS 52 HG2 LYS 52 13.339 -34.833 -4.763 435 1HD LYS 52 HD1 LYS 52 11.668 -33.309 -4.053 436 2HD LYS 52 HD2 LYS 52 11.014 -34.161 -5.415 437 1HE LYS 52 HE1 LYS 52 10.340 -34.940 -2.572 438 2HE LYS 52 HE2 LYS 52 9.479 -33.660 -3.408 439 1HZ LYS 52 HZ2 LYS 52 9.050 -35.297 -5.209 440 2HZ LYS 52 HZ3 LYS 52 9.631 -36.536 -4.206 441 3HZ LYS 52 HZ1 LYS 52 8.281 -35.637 -3.739 442 H ASP 53 HN ASP 53 13.230 -38.996 -6.657 443 HA ASP 53 HA ASP 53 15.866 -38.009 -7.269 444 1HB ASP 53 HB1 ASP 53 14.652 -40.774 -7.117 445 2HB ASP 53 HB2 ASP 53 16.323 -40.518 -7.589 446 H CYS 54 HN CYS 54 13.449 -39.734 -9.347 447 HA CYS 54 HA CYS 54 14.733 -39.234 -11.783 448 1HB CYS 54 HB1 CYS 54 11.943 -39.773 -10.927 449 2HB CYS 54 HB2 CYS 54 12.165 -39.155 -12.537 450 H CYS 55 HN CYS 55 12.450 -36.927 -10.100 451 HA CYS 55 HA CYS 55 12.555 -34.849 -11.945 452 1HB CYS 55 HB1 CYS 55 11.048 -34.718 -10.105 453 2HB CYS 55 HB2 CYS 55 12.343 -34.795 -8.934 454 OH TYR 56 OH TYR 56 15.035 -30.163 -5.342 455 H TYR 56 HN TYR 56 14.897 -35.338 -9.264 456 HA TYR 56 HA TYR 56 16.509 -33.133 -10.038 457 1HB TYR 56 HB1 TYR 56 16.907 -35.371 -8.094 458 2HB TYR 56 HB2 TYR 56 18.263 -34.330 -8.509 459 HD1 TYR 56 HD1 TYR 56 18.405 -32.127 -7.560 460 HD2 TYR 56 HD2 TYR 56 14.713 -34.212 -7.273 461 HE1 TYR 56 HE1 TYR 56 17.443 -30.278 -6.238 462 HE2 TYR 56 HE2 TYR 56 13.756 -32.330 -6.010 463 HH TYR 56 HH TYR 56 14.062 -30.290 -5.212 464 H ILE 57 HN ILE 57 16.948 -36.609 -10.969 465 HA ILE 57 HA ILE 57 19.107 -35.964 -12.716 466 HB ILE 57 HB ILE 57 17.188 -38.270 -12.908 467 1HG1 ILE 57 HG11 ILE 57 18.176 -38.526 -10.832 468 2HG1 ILE 57 HG12 ILE 57 19.135 -39.557 -11.869 469 1HG2 ILE 57 HG23 ILE 57 19.912 -38.004 -14.217 470 2HG2 ILE 57 HG21 ILE 57 18.952 -39.477 -14.161 471 3HG2 ILE 57 HG22 ILE 57 18.365 -38.082 -15.047 472 1HD1 ILE 57 HD12 ILE 57 20.900 -37.783 -11.946 473 2HD1 ILE 57 HD13 ILE 57 19.911 -36.833 -10.837 474 3HD1 ILE 57 HD11 ILE 57 20.586 -38.374 -10.310 475 H ALA 58 HN ALA 58 15.690 -35.956 -13.397 476 HA ALA 58 HA ALA 58 15.680 -35.099 -16.111 477 1HB ALA 58 HB3 ALA 58 13.678 -35.701 -14.946 478 2HB ALA 58 HB1 ALA 58 13.787 -34.263 -13.943 479 3HB ALA 58 HB2 ALA 58 13.523 -34.113 -15.683 480 H ASN 59 HN ASN 59 15.841 -32.998 -13.213 481 HA ASN 59 HA ASN 59 16.443 -30.621 -14.650 482 1HB ASN 59 HB1 ASN 59 16.774 -31.321 -11.741 483 2HB ASN 59 HB2 ASN 59 17.240 -29.753 -12.398 484 1HD2 ASN 59 HD21 ASN 59 13.378 -30.465 -11.734 485 2HD2 ASN 59 HD22 ASN 59 14.415 -31.862 -11.795 486 H GLN 60 HN GLN 60 18.768 -33.000 -13.274 487 HA GLN 60 HA GLN 60 21.104 -31.716 -14.163 488 1HB GLN 60 HB1 GLN 60 20.883 -33.833 -12.751 489 2HB GLN 60 HB2 GLN 60 20.633 -34.705 -14.250 490 1HG GLN 60 HG1 GLN 60 22.924 -33.700 -15.007 491 2HG GLN 60 HG2 GLN 60 23.127 -33.236 -13.326 492 1HE2 GLN 60 HE21 GLN 60 23.954 -36.967 -14.376 493 2HE2 GLN 60 HE22 GLN 60 23.671 -35.702 -15.552 494 H VAL 61 HN VAL 61 19.018 -33.968 -16.051 495 HA VAL 61 HA VAL 61 20.316 -33.680 -18.538 496 HB VAL 61 HB VAL 61 17.422 -34.296 -17.942 497 1HG1 VAL 61 HG12 VAL 61 18.889 -34.695 -20.579 498 2HG1 VAL 61 HG13 VAL 61 17.282 -35.306 -20.200 499 3HG1 VAL 61 HG11 VAL 61 17.555 -33.578 -20.312 500 1HG2 VAL 61 HG21 VAL 61 19.769 -36.107 -18.638 501 2HG2 VAL 61 HG22 VAL 61 18.994 -35.968 -17.062 502 3HG2 VAL 61 HG23 VAL 61 18.104 -36.639 -18.420 503 NH1 ARG 62 NH1 ARG 62 11.028 -28.330 -18.009 504 NH2 ARG 62 NH2 ARG 62 12.602 -26.913 -17.670 505 H ARG 62 HN ARG 62 17.573 -31.658 -17.322 506 HA ARG 62 HA ARG 62 17.589 -29.745 -19.367 507 1HB ARG 62 HB1 ARG 62 16.989 -29.469 -16.427 508 2HB ARG 62 HB2 ARG 62 16.839 -28.123 -17.530 509 1HG ARG 62 HG1 ARG 62 15.106 -29.260 -18.815 510 2HG ARG 62 HG2 ARG 62 15.289 -30.714 -17.841 511 1HD ARG 62 HD1 ARG 62 14.406 -29.670 -15.910 512 2HD ARG 62 HD2 ARG 62 14.617 -28.062 -16.550 513 HE ARG 62 HE ARG 62 12.591 -30.005 -17.623 514 1HH1 ARG 62 HH12 ARG 62 10.627 -29.268 -18.034 515 2HH1 ARG 62 HH11 ARG 62 10.501 -27.512 -18.252 516 1HH2 ARG 62 HH22 ARG 62 13.534 -26.673 -17.455 517 2HH2 ARG 62 HH21 ARG 62 11.887 -26.242 -17.912 518 H ALA 63 HN ALA 63 19.783 -29.792 -16.521 519 HA ALA 63 HA ALA 63 21.194 -27.438 -17.295 520 1HB ALA 63 HB1 ALA 63 21.193 -28.250 -14.996 521 2HB ALA 63 HB2 ALA 63 22.026 -29.723 -15.484 522 3HB ALA 63 HB3 ALA 63 22.847 -28.166 -15.597 523 H GLU 64 HN GLU 64 22.208 -30.907 -17.789 524 HA GLU 64 HA GLU 64 24.539 -29.993 -19.231 525 1HB GLU 64 HB1 GLU 64 25.197 -32.288 -19.488 526 2HB GLU 64 HB2 GLU 64 24.795 -31.888 -17.831 527 1HG GLU 64 HG1 GLU 64 22.591 -33.054 -18.111 528 2HG GLU 64 HG2 GLU 64 23.048 -33.486 -19.754 529 H GLN 65 HN GLN 65 23.011 -28.748 -20.663 530 HA GLN 65 HA GLN 65 22.423 -30.246 -23.147 531 1HB GLN 65 HB1 GLN 65 21.680 -27.423 -22.316 532 2HB GLN 65 HB2 GLN 65 21.280 -28.130 -23.866 533 1HG GLN 65 HG1 GLN 65 20.257 -29.162 -21.185 534 2HG GLN 65 HG2 GLN 65 19.356 -28.148 -22.290 535 1HE2 GLN 65 HE21 GLN 65 19.123 -32.026 -22.889 536 2HE2 GLN 65 HE22 GLN 65 19.613 -31.347 -21.358 Start of MODEL 4 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 18.114 -38.311 -5.953 2 2H MET 1 HT3 MET 1 18.250 -36.774 -6.667 3 3H MET 1 HT2 MET 1 18.313 -38.161 -7.638 4 HA MET 1 HA MET 1 20.472 -37.371 -7.445 5 1HB MET 1 HB1 MET 1 21.520 -36.830 -5.304 6 2HB MET 1 HB2 MET 1 20.187 -35.790 -5.725 7 1HG MET 1 HG1 MET 1 18.738 -37.095 -4.100 8 2HG MET 1 HG2 MET 1 20.165 -37.998 -3.639 9 1HE MET 1 HE1 MET 1 18.774 -34.275 -3.963 10 2HE MET 1 HE2 MET 1 17.933 -35.176 -2.682 11 3HE MET 1 HE3 MET 1 18.984 -33.830 -2.279 12 H LEU 2 HN LEU 2 19.104 -39.840 -5.243 13 HA LEU 2 HA LEU 2 21.545 -41.427 -5.435 14 1HB LEU 2 HB1 LEU 2 18.961 -41.852 -3.931 15 2HB LEU 2 HB2 LEU 2 20.275 -43.004 -3.919 16 HG LEU 2 HG LEU 2 20.594 -40.143 -2.973 17 1HD1 LEU 2 HD11 LEU 2 18.907 -41.288 -1.593 18 2HD1 LEU 2 HD12 LEU 2 20.009 -42.639 -1.341 19 3HD1 LEU 2 HD13 LEU 2 20.392 -41.052 -0.683 20 1HD2 LEU 2 HD23 LEU 2 22.283 -42.625 -2.470 21 2HD2 LEU 2 HD21 LEU 2 22.735 -41.282 -3.515 22 3HD2 LEU 2 HD22 LEU 2 22.572 -41.030 -1.787 23 H GLN 3 HN GLN 3 21.781 -42.205 -7.351 24 HA GLN 3 HA GLN 3 20.088 -43.466 -9.137 25 1HB GLN 3 HB1 GLN 3 22.508 -42.867 -9.444 26 2HB GLN 3 HB2 GLN 3 22.954 -44.256 -8.487 27 1HG GLN 3 HG1 GLN 3 21.345 -44.573 -11.037 28 2HG GLN 3 HG2 GLN 3 23.084 -44.406 -11.082 29 1HE2 GLN 3 HE21 GLN 3 21.802 -48.053 -10.709 30 2HE2 GLN 3 HE22 GLN 3 20.982 -46.747 -11.517 31 H LYS 4 HN LYS 4 21.688 -44.959 -6.344 32 HA LYS 4 HA LYS 4 20.642 -47.531 -6.592 33 1HB LYS 4 HB1 LYS 4 21.878 -46.037 -4.338 34 2HB LYS 4 HB2 LYS 4 20.985 -47.494 -3.957 35 1HG LYS 4 HG1 LYS 4 23.187 -48.243 -4.265 36 2HG LYS 4 HG2 LYS 4 22.368 -48.688 -5.740 37 1HD LYS 4 HD1 LYS 4 23.362 -46.465 -6.707 38 2HD LYS 4 HD2 LYS 4 24.402 -46.502 -5.299 39 1HE LYS 4 HE1 LYS 4 25.675 -47.545 -6.958 40 2HE LYS 4 HE2 LYS 4 25.011 -48.903 -6.055 41 1HZ LYS 4 HZ3 LYS 4 23.769 -47.721 -8.544 42 2HZ LYS 4 HZ1 LYS 4 24.719 -49.136 -8.497 43 3HZ LYS 4 HZ2 LYS 4 23.211 -49.127 -7.740 44 H LYS 5 HN LYS 5 18.968 -44.708 -5.151 45 HA LYS 5 HA LYS 5 16.776 -46.413 -4.367 46 1HB LYS 5 HB1 LYS 5 17.040 -43.414 -4.269 47 2HB LYS 5 HB2 LYS 5 15.571 -44.249 -3.844 48 1HG LYS 5 HG1 LYS 5 18.243 -44.452 -2.416 49 2HG LYS 5 HG2 LYS 5 16.764 -43.726 -1.814 50 1HD LYS 5 HD1 LYS 5 15.758 -46.135 -2.146 51 2HD LYS 5 HD2 LYS 5 17.435 -46.639 -2.176 52 1HE LYS 5 HE1 LYS 5 17.749 -45.689 0.082 53 2HE LYS 5 HE2 LYS 5 16.036 -45.247 0.108 54 1HZ LYS 5 HZ3 LYS 5 15.586 -47.669 -0.554 55 2HZ LYS 5 HZ1 LYS 5 17.211 -47.950 -0.184 56 3HZ LYS 5 HZ2 LYS 5 16.171 -47.427 1.043 57 H ILE 6 HN ILE 6 17.309 -44.303 -7.178 58 HA ILE 6 HA ILE 6 14.905 -44.949 -8.540 59 HB ILE 6 HB ILE 6 17.672 -44.792 -9.791 60 1HG1 ILE 6 HG11 ILE 6 15.565 -42.636 -9.581 61 2HG1 ILE 6 HG12 ILE 6 16.964 -42.763 -8.533 62 1HG2 ILE 6 HG23 ILE 6 14.930 -44.631 -11.198 63 2HG2 ILE 6 HG21 ILE 6 16.473 -44.347 -11.962 64 3HG2 ILE 6 HG22 ILE 6 16.092 -45.931 -11.353 65 1HD1 ILE 6 HD11 ILE 6 18.467 -42.461 -10.473 66 2HD1 ILE 6 HD12 ILE 6 17.066 -42.276 -11.527 67 3HD1 ILE 6 HD13 ILE 6 17.356 -41.114 -10.249 68 H GLU 7 HN GLU 7 17.975 -46.728 -8.521 69 HA GLU 7 HA GLU 7 17.196 -49.082 -9.830 70 1HB GLU 7 HB1 GLU 7 19.463 -48.120 -9.249 71 2HB GLU 7 HB2 GLU 7 19.212 -48.716 -7.628 72 1HG GLU 7 HG1 GLU 7 19.455 -51.002 -8.287 73 2HG GLU 7 HG2 GLU 7 19.362 -50.590 -10.001 74 H GLU 8 HN GLU 8 17.024 -48.501 -6.225 75 HA GLU 8 HA GLU 8 15.885 -51.019 -5.643 76 1HB GLU 8 HB1 GLU 8 16.906 -49.265 -4.072 77 2HB GLU 8 HB2 GLU 8 15.403 -48.389 -4.168 78 1HG GLU 8 HG1 GLU 8 14.869 -51.149 -3.350 79 2HG GLU 8 HG2 GLU 8 16.126 -50.476 -2.344 80 H GLU 9 HN GLU 9 14.086 -48.008 -6.557 81 HA GLU 9 HA GLU 9 11.568 -49.536 -6.433 82 1HB GLU 9 HB1 GLU 9 12.252 -46.789 -6.199 83 2HB GLU 9 HB2 GLU 9 11.233 -46.940 -7.608 84 1HG GLU 9 HG1 GLU 9 9.882 -46.520 -5.546 85 2HG GLU 9 HG2 GLU 9 9.474 -48.052 -6.282 86 H ALA 10 HN ALA 10 13.318 -48.003 -9.196 87 HA ALA 10 HA ALA 10 11.818 -49.595 -11.106 88 1HB ALA 10 HB2 ALA 10 14.382 -48.010 -11.384 89 2HB ALA 10 HB3 ALA 10 13.480 -48.712 -12.726 90 3HB ALA 10 HB1 ALA 10 12.751 -47.446 -11.750 91 H ALA 11 HN ALA 11 14.413 -50.898 -9.057 92 HA ALA 11 HA ALA 11 14.581 -53.241 -10.603 93 1HB ALA 11 HB2 ALA 11 14.378 -52.964 -7.563 94 2HB ALA 11 HB3 ALA 11 14.919 -54.415 -8.422 95 3HB ALA 11 HB1 ALA 11 15.848 -52.915 -8.503 96 H LYS 12 HN LYS 12 11.944 -52.100 -8.540 97 HA LYS 12 HA LYS 12 10.583 -54.679 -8.581 98 1HB LYS 12 HB1 LYS 12 9.731 -52.096 -7.267 99 2HB LYS 12 HB2 LYS 12 9.034 -53.680 -7.013 100 1HG LYS 12 HG1 LYS 12 11.242 -54.425 -6.029 101 2HG LYS 12 HG2 LYS 12 11.796 -52.762 -6.164 102 1HD LYS 12 HD1 LYS 12 9.567 -52.212 -4.840 103 2HD LYS 12 HD2 LYS 12 9.632 -53.905 -4.402 104 1HE LYS 12 HE1 LYS 12 10.659 -52.739 -2.619 105 2HE LYS 12 HE2 LYS 12 11.979 -53.476 -3.523 106 1HZ LYS 12 HZ1 LYS 12 10.992 -50.679 -4.063 107 2HZ LYS 12 HZ2 LYS 12 12.317 -50.985 -3.017 108 3HZ LYS 12 HZ3 LYS 12 12.407 -51.390 -4.680 109 OH TYR 13 OH TYR 13 11.869 -50.007 -16.379 110 H TYR 13 HN TYR 13 10.622 -54.175 -11.018 111 HA TYR 13 HA TYR 13 8.522 -52.713 -12.213 112 1HB TYR 13 HB1 TYR 13 10.311 -54.943 -13.044 113 2HB TYR 13 HB2 TYR 13 8.844 -54.744 -13.972 114 HD1 TYR 13 HD1 TYR 13 9.503 -53.817 -15.985 115 HD2 TYR 13 HD2 TYR 13 11.118 -52.004 -12.459 116 HE1 TYR 13 HE1 TYR 13 10.498 -52.038 -17.334 117 HE2 TYR 13 HE2 TYR 13 12.101 -50.279 -13.836 118 HH TYR 13 HH TYR 13 11.757 -50.196 -17.316 119 H LYS 14 HN LYS 14 8.236 -55.642 -10.420 120 HA LYS 14 HA LYS 14 5.528 -56.275 -10.963 121 1HB LYS 14 HB1 LYS 14 7.318 -57.524 -9.596 122 2HB LYS 14 HB2 LYS 14 6.949 -56.439 -8.282 123 1HG LYS 14 HG1 LYS 14 4.788 -58.153 -9.515 124 2HG LYS 14 HG2 LYS 14 5.909 -58.829 -8.355 125 1HD LYS 14 HD1 LYS 14 5.191 -56.960 -6.772 126 2HD LYS 14 HD2 LYS 14 3.897 -56.615 -7.905 127 1HE LYS 14 HE1 LYS 14 3.057 -58.929 -7.633 128 2HE LYS 14 HE2 LYS 14 4.350 -59.254 -6.479 129 1HZ LYS 14 HZ2 LYS 14 2.310 -57.123 -6.219 130 2HZ LYS 14 HZ3 LYS 14 2.294 -58.572 -5.353 131 3HZ LYS 14 HZ1 LYS 14 3.498 -57.409 -5.051 132 OH TYR 15 OH TYR 15 4.192 -56.591 -3.828 133 H TYR 15 HN TYR 15 6.929 -53.742 -8.823 134 HA TYR 15 HA TYR 15 4.229 -52.737 -8.259 135 1HB TYR 15 HB1 TYR 15 6.873 -52.043 -6.965 136 2HB TYR 15 HB2 TYR 15 5.368 -51.201 -6.629 137 HD1 TYR 15 HD1 TYR 15 3.298 -52.819 -6.067 138 HD2 TYR 15 HD2 TYR 15 7.364 -53.935 -5.588 139 HE1 TYR 15 HE1 TYR 15 2.619 -54.743 -4.690 140 HE2 TYR 15 HE2 TYR 15 6.682 -55.854 -4.228 141 HH TYR 15 HH TYR 15 4.953 -57.013 -3.414 142 H ALA 16 HN ALA 16 4.100 -52.507 -10.362 143 HA ALA 16 HA ALA 16 5.457 -50.937 -12.169 144 1HB ALA 16 HB1 ALA 16 2.514 -51.679 -12.103 145 2HB ALA 16 HB2 ALA 16 3.383 -51.101 -13.522 146 3HB ALA 16 HB3 ALA 16 3.829 -52.634 -12.783 147 H MET 17 HN MET 17 2.803 -49.927 -10.105 148 HA MET 17 HA MET 17 2.474 -47.276 -11.067 149 1HB MET 17 HB1 MET 17 0.846 -48.628 -9.721 150 2HB MET 17 HB2 MET 17 1.869 -48.412 -8.315 151 1HG MET 17 HG1 MET 17 1.492 -45.981 -8.376 152 2HG MET 17 HG2 MET 17 0.554 -46.140 -9.847 153 1HE MET 17 HE2 MET 17 -1.726 -47.759 -9.901 154 2HE MET 17 HE3 MET 17 -2.888 -47.139 -8.743 155 3HE MET 17 HE1 MET 17 -1.978 -46.008 -9.729 156 H LEU 18 HN LEU 18 4.759 -48.596 -8.678 157 HA LEU 18 HA LEU 18 5.446 -45.943 -7.669 158 1HB LEU 18 HB1 LEU 18 6.596 -48.653 -6.932 159 2HB LEU 18 HB2 LEU 18 6.889 -47.140 -6.093 160 HG LEU 18 HG LEU 18 4.215 -48.561 -6.287 161 1HD1 LEU 18 HD12 LEU 18 5.794 -49.717 -4.811 162 2HD1 LEU 18 HD13 LEU 18 6.110 -48.218 -3.948 163 3HD1 LEU 18 HD11 LEU 18 4.516 -48.959 -3.871 164 1HD2 LEU 18 HD21 LEU 18 4.963 -46.047 -4.769 165 2HD2 LEU 18 HD22 LEU 18 3.885 -46.123 -6.155 166 3HD2 LEU 18 HD23 LEU 18 3.417 -46.892 -4.641 167 H LYS 19 HN LYS 19 7.243 -48.559 -9.423 168 HA LYS 19 HA LYS 19 9.266 -46.708 -10.176 169 1HB LYS 19 HB1 LYS 19 9.923 -48.279 -11.892 170 2HB LYS 19 HB2 LYS 19 9.495 -49.159 -10.447 171 1HG LYS 19 HG1 LYS 19 8.419 -50.521 -11.885 172 2HG LYS 19 HG2 LYS 19 7.136 -49.339 -11.759 173 1HD LYS 19 HD1 LYS 19 7.971 -48.214 -13.817 174 2HD LYS 19 HD2 LYS 19 9.247 -49.405 -13.936 175 1HE LYS 19 HE1 LYS 19 7.463 -51.184 -14.112 176 2HE LYS 19 HE2 LYS 19 6.266 -49.884 -14.157 177 1HZ LYS 19 HZ1 LYS 19 7.424 -48.935 -16.043 178 2HZ LYS 19 HZ2 LYS 19 8.561 -50.191 -15.996 179 3HZ LYS 19 HZ3 LYS 19 6.947 -50.525 -16.396 180 H LYS 20 HN LYS 20 6.005 -47.142 -11.783 181 HA LYS 20 HA LYS 20 6.510 -45.221 -13.770 182 1HB LYS 20 HB1 LYS 20 4.421 -46.641 -13.598 183 2HB LYS 20 HB2 LYS 20 3.883 -45.625 -12.283 184 1HG LYS 20 HG1 LYS 20 2.710 -44.839 -14.179 185 2HG LYS 20 HG2 LYS 20 3.950 -43.642 -13.902 186 1HD LYS 20 HD1 LYS 20 5.345 -44.954 -15.670 187 2HD LYS 20 HD2 LYS 20 3.848 -45.776 -16.035 188 1HE LYS 20 HE1 LYS 20 4.011 -44.033 -17.613 189 2HE LYS 20 HE2 LYS 20 2.814 -43.494 -16.444 190 1HZ LYS 20 HZ2 LYS 20 5.654 -42.815 -16.074 191 2HZ LYS 20 HZ3 LYS 20 4.734 -41.849 -17.133 192 3HZ LYS 20 HZ1 LYS 20 4.352 -41.939 -15.446 193 H CYS 21 HN CYS 21 5.387 -44.562 -10.292 194 HA CYS 21 HA CYS 21 5.527 -41.815 -10.353 195 1HB CYS 21 HB1 CYS 21 6.498 -43.721 -8.235 196 2HB CYS 21 HB2 CYS 21 6.430 -41.992 -7.996 197 H CYS 22 HN CYS 22 8.421 -43.923 -9.896 198 HA CYS 22 HA CYS 22 10.483 -41.996 -10.404 199 1HB CYS 22 HB1 CYS 22 10.611 -44.606 -10.011 200 2HB CYS 22 HB2 CYS 22 10.977 -44.504 -11.686 201 OH TYR 23 OH TYR 23 12.595 -47.924 -15.024 202 H TYR 23 HN TYR 23 8.738 -43.640 -12.936 203 HA TYR 23 HA TYR 23 10.194 -42.078 -14.825 204 1HB TYR 23 HB1 TYR 23 7.906 -43.933 -15.209 205 2HB TYR 23 HB2 TYR 23 8.973 -43.321 -16.463 206 HD1 TYR 23 HD1 TYR 23 11.291 -43.919 -13.543 207 HD2 TYR 23 HD2 TYR 23 8.693 -46.036 -16.243 208 HE1 TYR 23 HE1 TYR 23 12.892 -45.704 -13.765 209 HE2 TYR 23 HE2 TYR 23 10.338 -47.892 -16.316 210 HH TYR 23 HH TYR 23 12.283 -48.684 -15.573 211 H ASP 24 HN ASP 24 7.005 -41.561 -13.473 212 HA ASP 24 HA ASP 24 6.285 -39.141 -14.754 213 1HB ASP 24 HB1 ASP 24 5.875 -39.779 -11.803 214 2HB ASP 24 HB2 ASP 24 5.079 -38.546 -12.740 215 H GLY 25 HN GLY 25 8.442 -39.552 -11.914 216 1HA GLY 25 HA1 GLY 25 9.410 -36.880 -11.871 217 2HA GLY 25 HA2 GLY 25 10.244 -38.269 -11.223 218 H ALA 26 HN ALA 26 10.731 -39.697 -13.622 219 HA ALA 26 HA ALA 26 13.019 -38.451 -14.667 220 1HB ALA 26 HB1 ALA 26 12.724 -40.873 -14.718 221 2HB ALA 26 HB2 ALA 26 11.437 -40.707 -15.914 222 3HB ALA 26 HB3 ALA 26 13.087 -40.259 -16.327 223 OH TYR 27 OH TYR 27 5.028 -41.133 -18.317 224 H TYR 27 HN TYR 27 9.777 -38.604 -16.387 225 HA TYR 27 HA TYR 27 10.909 -36.446 -18.032 226 1HB TYR 27 HB1 TYR 27 8.814 -36.518 -19.389 227 2HB TYR 27 HB2 TYR 27 9.989 -37.797 -19.533 228 HD1 TYR 27 HD1 TYR 27 6.941 -37.182 -17.348 229 HD2 TYR 27 HD2 TYR 27 9.047 -39.874 -19.869 230 HE1 TYR 27 HE1 TYR 27 5.103 -38.820 -17.159 231 HE2 TYR 27 HE2 TYR 27 7.214 -41.482 -19.693 232 HH TYR 27 HH TYR 27 5.156 -41.803 -19.001 233 NH1 ARG 28 NH1 ARG 28 10.754 -29.865 -11.885 234 NH2 ARG 28 NH2 ARG 28 9.041 -29.166 -12.992 235 H ARG 28 HN ARG 28 10.995 -35.286 -15.857 236 HA ARG 28 HA ARG 28 8.736 -33.369 -15.833 237 1HB ARG 28 HB1 ARG 28 8.943 -35.222 -13.911 238 2HB ARG 28 HB2 ARG 28 10.092 -34.090 -13.259 239 1HG ARG 28 HG1 ARG 28 7.126 -33.720 -13.708 240 2HG ARG 28 HG2 ARG 28 7.986 -33.756 -12.190 241 1HD ARG 28 HD1 ARG 28 7.948 -31.488 -14.186 242 2HD ARG 28 HD2 ARG 28 7.259 -31.529 -12.580 243 HE ARG 28 HE ARG 28 10.019 -32.038 -12.306 244 1HH1 ARG 28 HH12 ARG 28 11.310 -30.584 -11.489 245 2HH1 ARG 28 HH11 ARG 28 10.986 -28.894 -11.830 246 1HH2 ARG 28 HH22 ARG 28 8.223 -29.319 -13.563 247 2HH2 ARG 28 HH21 ARG 28 9.402 -28.253 -12.776 248 H ASN 29 HN ASN 29 9.792 -31.692 -16.793 249 HA ASN 29 HA ASN 29 12.064 -30.461 -15.382 250 1HB ASN 29 HB1 ASN 29 13.352 -30.267 -17.499 251 2HB ASN 29 HB2 ASN 29 13.072 -31.933 -17.037 252 1HD2 ASN 29 HD21 ASN 29 11.723 -30.634 -20.560 253 2HD2 ASN 29 HD22 ASN 29 11.965 -29.417 -19.343 254 H ASP 30 HN ASP 30 9.180 -29.587 -15.871 255 HA ASP 30 HA ASP 30 9.258 -27.532 -17.895 256 1HB ASP 30 HB1 ASP 30 6.878 -27.226 -17.434 257 2HB ASP 30 HB2 ASP 30 7.288 -28.896 -17.753 258 H ASP 31 HN ASP 31 11.105 -26.729 -16.413 259 HA ASP 31 HA ASP 31 12.072 -24.799 -15.692 260 1HB ASP 31 HB1 ASP 31 9.368 -23.473 -16.030 261 2HB ASP 31 HB2 ASP 31 10.917 -22.657 -15.870 262 H GLU 32 HN GLU 32 8.947 -25.014 -13.993 263 HA GLU 32 HA GLU 32 10.013 -23.970 -11.505 264 1HB GLU 32 HB1 GLU 32 7.389 -25.301 -12.196 265 2HB GLU 32 HB2 GLU 32 7.755 -24.633 -10.617 266 1HG GLU 32 HG1 GLU 32 8.057 -22.366 -11.658 267 2HG GLU 32 HG2 GLU 32 7.626 -23.038 -13.218 268 H THR 33 HN THR 33 9.309 -25.564 -9.378 269 HA THR 33 HA THR 33 11.382 -27.622 -9.784 270 HB THR 33 HB THR 33 12.008 -25.929 -8.200 271 HG1 THR 33 HG1 THR 33 12.677 -27.484 -6.632 272 1HG2 THR 33 HG21 THR 33 9.842 -25.470 -7.042 273 2HG2 THR 33 HG22 THR 33 9.906 -27.091 -6.350 274 3HG2 THR 33 HG23 THR 33 11.135 -25.908 -5.924 275 H CYS 34 HN CYS 34 11.346 -29.451 -8.356 276 HA CYS 34 HA CYS 34 9.326 -31.220 -9.277 277 1HB CYS 34 HB1 CYS 34 11.518 -31.581 -7.201 278 2HB CYS 34 HB2 CYS 34 10.521 -32.889 -7.794 279 H GLU 35 HN GLU 35 9.830 -29.745 -6.166 280 HA GLU 35 HA GLU 35 8.122 -31.438 -4.629 281 1HB GLU 35 HB1 GLU 35 8.686 -28.557 -3.833 282 2HB GLU 35 HB2 GLU 35 8.448 -29.942 -2.803 283 1HG GLU 35 HG1 GLU 35 10.958 -29.214 -4.348 284 2HG GLU 35 HG2 GLU 35 10.733 -29.236 -2.616 285 H GLU 36 HN GLU 36 7.342 -28.587 -6.535 286 HA GLU 36 HA GLU 36 4.767 -27.999 -5.407 287 1HB GLU 36 HB1 GLU 36 5.888 -27.592 -8.213 288 2HB GLU 36 HB2 GLU 36 4.402 -26.866 -7.625 289 1HG GLU 36 HG1 GLU 36 5.594 -25.384 -6.160 290 2HG GLU 36 HG2 GLU 36 7.099 -26.275 -6.339 291 NH1 ARG 37 NH1 ARG 37 5.015 -26.384 -13.411 292 NH2 ARG 37 NH2 ARG 37 4.886 -26.201 -11.270 293 H ARG 37 HN ARG 37 5.751 -29.748 -8.273 294 HA ARG 37 HA ARG 37 3.212 -30.836 -8.984 295 1HB ARG 37 HB1 ARG 37 6.042 -31.485 -9.845 296 2HB ARG 37 HB2 ARG 37 4.675 -32.417 -10.402 297 1HG ARG 37 HG1 ARG 37 5.153 -30.862 -12.136 298 2HG ARG 37 HG2 ARG 37 3.688 -30.303 -11.373 299 1HD ARG 37 HD1 ARG 37 4.878 -28.580 -10.193 300 2HD ARG 37 HD2 ARG 37 6.432 -29.151 -10.799 301 HE ARG 37 HE ARG 37 5.212 -28.660 -13.134 302 1HH1 ARG 37 HH12 ARG 37 5.150 -26.941 -14.255 303 2HH1 ARG 37 HH11 ARG 37 4.883 -25.396 -13.417 304 1HH2 ARG 37 HH22 ARG 37 4.867 -26.567 -10.356 305 2HH2 ARG 37 HH21 ARG 37 4.803 -25.213 -11.461 306 H ALA 38 HN ALA 38 6.059 -32.333 -7.285 307 HA ALA 38 HA ALA 38 4.454 -34.620 -6.613 308 1HB ALA 38 HB3 ALA 38 7.266 -33.902 -6.019 309 2HB ALA 38 HB1 ALA 38 6.474 -35.415 -5.517 310 3HB ALA 38 HB2 ALA 38 6.520 -35.012 -7.238 311 H ALA 39 HN ALA 39 4.684 -31.565 -4.777 312 HA ALA 39 HA ALA 39 3.277 -32.691 -2.603 313 1HB ALA 39 HB1 ALA 39 4.062 -30.370 -2.593 314 2HB ALA 39 HB2 ALA 39 2.943 -29.961 -3.886 315 3HB ALA 39 HB3 ALA 39 2.324 -30.424 -2.298 316 NH1 ARG 40 NH1 ARG 40 -2.916 -27.080 -6.647 317 NH2 ARG 40 NH2 ARG 40 -3.888 -28.837 -5.786 318 H ARG 40 HN ARG 40 2.030 -31.719 -5.842 319 HA ARG 40 HA ARG 40 -0.592 -32.773 -5.310 320 1HB ARG 40 HB1 ARG 40 0.841 -32.507 -7.958 321 2HB ARG 40 HB2 ARG 40 -0.862 -32.872 -7.786 322 1HG ARG 40 HG1 ARG 40 0.428 -30.298 -6.810 323 2HG ARG 40 HG2 ARG 40 -0.341 -30.482 -8.372 324 1HD ARG 40 HD1 ARG 40 -2.488 -31.006 -7.246 325 2HD ARG 40 HD2 ARG 40 -1.706 -30.743 -5.679 326 HE ARG 40 HE ARG 40 -1.211 -28.495 -7.330 327 1HH1 ARG 40 HH12 ARG 40 -2.163 -26.674 -7.142 328 2HH1 ARG 40 HH11 ARG 40 -3.678 -26.544 -6.316 329 1HH2 ARG 40 HH22 ARG 40 -3.872 -29.811 -5.619 330 2HH2 ARG 40 HH21 ARG 40 -4.625 -28.257 -5.478 331 H ILE 41 HN ILE 41 2.150 -34.503 -6.906 332 HA ILE 41 HA ILE 41 0.842 -36.983 -6.807 333 HB ILE 41 HB ILE 41 3.834 -36.760 -7.361 334 1HG1 ILE 41 HG11 ILE 41 2.464 -37.427 -9.671 335 2HG1 ILE 41 HG12 ILE 41 1.387 -36.221 -8.950 336 1HG2 ILE 41 HG21 ILE 41 1.906 -38.940 -7.685 337 2HG2 ILE 41 HG22 ILE 41 3.587 -38.731 -8.359 338 3HG2 ILE 41 HG23 ILE 41 3.293 -38.894 -6.589 339 1HD1 ILE 41 HD12 ILE 41 4.337 -35.821 -9.033 340 2HD1 ILE 41 HD13 ILE 41 3.292 -35.317 -10.409 341 3HD1 ILE 41 HD11 ILE 41 3.103 -34.622 -8.794 342 H LYS 42 HN LYS 42 0.134 -37.143 -5.107 343 HA LYS 42 HA LYS 42 1.538 -37.747 -2.554 344 1HB LYS 42 HB1 LYS 42 -1.263 -36.814 -3.112 345 2HB LYS 42 HB2 LYS 42 -0.900 -37.629 -1.605 346 1HG LYS 42 HG1 LYS 42 0.941 -35.883 -1.248 347 2HG LYS 42 HG2 LYS 42 0.253 -35.015 -2.613 348 1HD LYS 42 HD1 LYS 42 -1.934 -34.913 -1.448 349 2HD LYS 42 HD2 LYS 42 -1.269 -35.816 -0.104 350 1HE LYS 42 HE1 LYS 42 -1.242 -33.601 0.644 351 2HE LYS 42 HE2 LYS 42 0.422 -33.917 0.170 352 1HZ LYS 42 HZ3 LYS 42 -1.621 -32.631 -1.549 353 2HZ LYS 42 HZ1 LYS 42 -0.391 -31.804 -0.732 354 3HZ LYS 42 HZ2 LYS 42 0.001 -32.859 -2.021 355 H ILE 43 HN ILE 43 1.120 -39.825 -4.771 356 HA ILE 43 HA ILE 43 -0.932 -41.624 -3.974 357 HB ILE 43 HB ILE 43 1.433 -42.049 -5.808 358 1HG1 ILE 43 HG11 ILE 43 -1.477 -41.608 -6.526 359 2HG1 ILE 43 HG12 ILE 43 -0.342 -40.288 -6.406 360 1HG2 ILE 43 HG22 ILE 43 -1.013 -43.824 -5.468 361 2HG2 ILE 43 HG23 ILE 43 0.216 -44.017 -6.712 362 3HG2 ILE 43 HG21 ILE 43 0.634 -44.261 -5.036 363 1HD1 ILE 43 HD13 ILE 43 1.036 -41.307 -8.217 364 2HD1 ILE 43 HD11 ILE 43 -0.149 -42.596 -8.382 365 3HD1 ILE 43 HD12 ILE 43 -0.604 -40.940 -8.742 366 H GLY 44 HN GLY 44 2.526 -41.625 -3.112 367 1HA GLY 44 HA1 GLY 44 1.941 -42.836 -0.621 368 2HA GLY 44 HA2 GLY 44 2.610 -44.055 -1.680 369 HA PRO 45 HA PRO 45 6.099 -41.516 0.642 370 1HB PRO 45 HB1 PRO 45 6.382 -44.305 1.810 371 2HB PRO 45 HB2 PRO 45 6.816 -42.736 2.514 372 1HG PRO 45 HG1 PRO 45 4.537 -43.824 3.256 373 2HG PRO 45 HG2 PRO 45 4.521 -42.110 2.790 374 1HD PRO 45 HD1 PRO 45 3.729 -44.528 1.132 375 2HD PRO 45 HD2 PRO 45 2.866 -42.992 1.371 376 H LYS 46 HN LYS 46 6.281 -44.905 -0.422 377 HA LYS 46 HA LYS 46 8.856 -44.780 -1.585 378 1HB LYS 46 HB1 LYS 46 6.571 -46.727 -1.730 379 2HB LYS 46 HB2 LYS 46 7.920 -46.896 -2.840 380 1HG LYS 46 HG1 LYS 46 9.499 -46.957 -0.961 381 2HG LYS 46 HG2 LYS 46 8.188 -46.767 0.180 382 1HD LYS 46 HD1 LYS 46 7.460 -48.940 -0.043 383 2HD LYS 46 HD2 LYS 46 7.990 -49.087 -1.704 384 1HE LYS 46 HE1 LYS 46 10.014 -48.857 0.542 385 2HE LYS 46 HE2 LYS 46 9.262 -50.403 0.163 386 1HZ LYS 46 HZ2 LYS 46 10.480 -48.711 -1.969 387 2HZ LYS 46 HZ3 LYS 46 11.400 -49.908 -1.204 388 3HZ LYS 46 HZ1 LYS 46 9.999 -50.284 -2.057 389 H CYS 47 HN CYS 47 5.747 -43.927 -2.917 390 HA CYS 47 HA CYS 47 6.545 -43.630 -5.640 391 1HB CYS 47 HB1 CYS 47 4.188 -43.807 -5.100 392 2HB CYS 47 HB2 CYS 47 4.283 -42.404 -4.065 393 H VAL 48 HN VAL 48 5.899 -40.895 -3.278 394 HA VAL 48 HA VAL 48 7.325 -39.113 -4.541 395 HB VAL 48 HB VAL 48 8.009 -38.553 -1.773 396 1HG1 VAL 48 HG13 VAL 48 7.373 -36.876 -3.654 397 2HG1 VAL 48 HG11 VAL 48 5.763 -37.609 -3.622 398 3HG1 VAL 48 HG12 VAL 48 6.340 -36.677 -2.236 399 1HG2 VAL 48 HG22 VAL 48 6.492 -40.099 -1.063 400 2HG2 VAL 48 HG23 VAL 48 5.931 -38.462 -0.706 401 3HG2 VAL 48 HG21 VAL 48 5.191 -39.386 -2.014 402 H LYS 49 HN LYS 49 8.965 -41.422 -2.327 403 HA LYS 49 HA LYS 49 11.620 -40.576 -2.613 404 1HB LYS 49 HB1 LYS 49 10.816 -42.413 -1.142 405 2HB LYS 49 HB2 LYS 49 10.585 -43.424 -2.546 406 1HG LYS 49 HG1 LYS 49 13.296 -42.674 -2.744 407 2HG LYS 49 HG2 LYS 49 13.039 -42.832 -1.026 408 1HD LYS 49 HD1 LYS 49 12.271 -44.987 -3.014 409 2HD LYS 49 HD2 LYS 49 13.828 -44.918 -2.227 410 1HE LYS 49 HE1 LYS 49 12.849 -45.254 -0.055 411 2HE LYS 49 HE2 LYS 49 11.217 -45.123 -0.705 412 1HZ LYS 49 HZ3 LYS 49 11.742 -47.039 -2.212 413 2HZ LYS 49 HZ1 LYS 49 13.233 -47.247 -1.394 414 3HZ LYS 49 HZ2 LYS 49 11.790 -47.432 -0.543 415 H ALA 50 HN ALA 50 10.089 -43.049 -4.734 416 HA ALA 50 HA ALA 50 12.024 -43.263 -6.778 417 1HB ALA 50 HB2 ALA 50 10.030 -44.695 -6.429 418 2HB ALA 50 HB3 ALA 50 8.985 -43.406 -6.964 419 3HB ALA 50 HB1 ALA 50 10.099 -44.179 -8.087 420 H PHE 51 HN PHE 51 9.183 -41.103 -6.648 421 HA PHE 51 HA PHE 51 9.552 -39.620 -8.981 422 1HB PHE 51 HB1 PHE 51 7.594 -39.676 -7.225 423 2HB PHE 51 HB2 PHE 51 8.459 -38.386 -6.431 424 HD1 PHE 51 HD1 PHE 51 9.065 -36.268 -8.016 425 HD2 PHE 51 HD2 PHE 51 5.952 -39.052 -8.831 426 HE1 PHE 51 HE1 PHE 51 8.228 -34.838 -9.809 427 HE2 PHE 51 HE2 PHE 51 5.055 -37.612 -10.425 428 HZ PHE 51 HZ PHE 51 6.286 -35.551 -11.148 429 H LYS 52 HN LYS 52 10.627 -38.586 -5.654 430 HA LYS 52 HA LYS 52 11.888 -36.254 -6.600 431 1HB LYS 52 HB1 LYS 52 12.002 -37.768 -4.007 432 2HB LYS 52 HB2 LYS 52 13.109 -36.432 -4.279 433 1HG LYS 52 HG1 LYS 52 11.263 -34.877 -4.580 434 2HG LYS 52 HG2 LYS 52 10.103 -36.186 -4.600 435 1HD LYS 52 HD1 LYS 52 10.011 -35.005 -2.478 436 2HD LYS 52 HD2 LYS 52 10.503 -36.663 -2.253 437 1HE LYS 52 HE1 LYS 52 11.707 -35.198 -0.749 438 2HE LYS 52 HE2 LYS 52 12.830 -35.944 -1.873 439 1HZ LYS 52 HZ1 LYS 52 11.629 -33.194 -2.232 440 2HZ LYS 52 HZ2 LYS 52 13.195 -33.524 -1.632 441 3HZ LYS 52 HZ3 LYS 52 12.774 -33.949 -3.211 442 H ASP 53 HN ASP 53 13.379 -39.547 -6.075 443 HA ASP 53 HA ASP 53 15.972 -38.473 -6.669 444 1HB ASP 53 HB1 ASP 53 14.938 -41.265 -6.357 445 2HB ASP 53 HB2 ASP 53 16.526 -41.009 -7.076 446 H CYS 54 HN CYS 54 13.711 -40.283 -8.800 447 HA CYS 54 HA CYS 54 15.158 -39.902 -11.185 448 1HB CYS 54 HB1 CYS 54 12.319 -40.451 -10.465 449 2HB CYS 54 HB2 CYS 54 12.653 -39.969 -12.101 450 H CYS 55 HN CYS 55 12.720 -37.661 -9.725 451 HA CYS 55 HA CYS 55 12.796 -35.727 -11.776 452 1HB CYS 55 HB1 CYS 55 11.111 -35.955 -9.870 453 2HB CYS 55 HB2 CYS 55 12.257 -35.099 -8.869 454 OH TYR 56 OH TYR 56 14.273 -30.673 -4.868 455 H TYR 56 HN TYR 56 14.790 -35.836 -8.754 456 HA TYR 56 HA TYR 56 16.245 -33.511 -9.452 457 1HB TYR 56 HB1 TYR 56 16.737 -35.673 -7.463 458 2HB TYR 56 HB2 TYR 56 18.035 -34.534 -7.833 459 HD1 TYR 56 HD1 TYR 56 17.890 -32.234 -7.033 460 HD2 TYR 56 HD2 TYR 56 14.510 -34.776 -6.661 461 HE1 TYR 56 HE1 TYR 56 16.691 -30.479 -5.774 462 HE2 TYR 56 HE2 TYR 56 13.307 -32.992 -5.465 463 HH TYR 56 HH TYR 56 13.355 -30.987 -4.703 464 H ILE 57 HN ILE 57 17.047 -36.947 -10.330 465 HA ILE 57 HA ILE 57 19.260 -36.201 -11.930 466 HB ILE 57 HB ILE 57 17.290 -38.429 -12.432 467 1HG1 ILE 57 HG11 ILE 57 18.156 -38.903 -10.337 468 2HG1 ILE 57 HG12 ILE 57 19.101 -39.891 -11.427 469 1HG2 ILE 57 HG22 ILE 57 20.083 -38.144 -13.583 470 2HG2 ILE 57 HG23 ILE 57 19.084 -39.589 -13.694 471 3HG2 ILE 57 HG21 ILE 57 18.574 -38.111 -14.485 472 1HD1 ILE 57 HD13 ILE 57 20.958 -38.238 -11.292 473 2HD1 ILE 57 HD11 ILE 57 19.992 -37.309 -10.146 474 3HD1 ILE 57 HD12 ILE 57 20.550 -38.928 -9.718 475 H ALA 58 HN ALA 58 15.907 -36.329 -12.919 476 HA ALA 58 HA ALA 58 16.103 -35.287 -15.547 477 1HB ALA 58 HB1 ALA 58 14.029 -36.179 -14.687 478 2HB ALA 58 HB2 ALA 58 13.876 -34.821 -13.578 479 3HB ALA 58 HB3 ALA 58 13.789 -34.553 -15.312 480 H ASN 59 HN ASN 59 15.655 -33.355 -12.557 481 HA ASN 59 HA ASN 59 16.050 -30.816 -13.722 482 1HB ASN 59 HB1 ASN 59 15.143 -31.461 -11.379 483 2HB ASN 59 HB2 ASN 59 16.816 -31.476 -10.866 484 1HD2 ASN 59 HD21 ASN 59 17.115 -27.922 -11.137 485 2HD2 ASN 59 HD22 ASN 59 17.738 -29.015 -12.338 486 H GLN 60 HN GLN 60 18.587 -32.996 -12.294 487 HA GLN 60 HA GLN 60 20.768 -31.311 -12.915 488 1HB GLN 60 HB1 GLN 60 20.608 -34.310 -12.629 489 2HB GLN 60 HB2 GLN 60 22.120 -33.461 -12.905 490 1HG GLN 60 HG1 GLN 60 21.846 -32.203 -10.792 491 2HG GLN 60 HG2 GLN 60 20.264 -32.931 -10.549 492 1HE2 GLN 60 HE21 GLN 60 23.497 -35.293 -9.861 493 2HE2 GLN 60 HE22 GLN 60 23.699 -33.974 -10.972 494 H VAL 61 HN VAL 61 19.307 -33.860 -15.006 495 HA VAL 61 HA VAL 61 20.899 -33.340 -17.288 496 HB VAL 61 HB VAL 61 18.074 -34.406 -17.084 497 1HG1 VAL 61 HG12 VAL 61 19.901 -34.516 -19.515 498 2HG1 VAL 61 HG13 VAL 61 18.372 -35.371 -19.346 499 3HG1 VAL 61 HG11 VAL 61 18.392 -33.619 -19.415 500 1HG2 VAL 61 HG21 VAL 61 20.740 -35.819 -17.488 501 2HG2 VAL 61 HG22 VAL 61 19.763 -35.837 -16.020 502 3HG2 VAL 61 HG23 VAL 61 19.163 -36.605 -17.483 503 NH1 ARG 62 NH1 ARG 62 14.330 -24.593 -18.925 504 NH2 ARG 62 NH2 ARG 62 13.144 -26.227 -18.213 505 H ARG 62 HN ARG 62 17.787 -31.755 -16.387 506 HA ARG 62 HA ARG 62 17.789 -29.859 -18.454 507 1HB ARG 62 HB1 ARG 62 15.881 -30.286 -16.945 508 2HB ARG 62 HB2 ARG 62 16.760 -29.569 -15.617 509 1HG ARG 62 HG1 ARG 62 15.167 -27.946 -16.361 510 2HG ARG 62 HG2 ARG 62 16.739 -27.361 -16.829 511 1HD ARG 62 HD1 ARG 62 16.216 -28.410 -19.161 512 2HD ARG 62 HD2 ARG 62 14.562 -28.489 -18.594 513 HE ARG 62 HE ARG 62 16.147 -26.017 -18.987 514 1HH1 ARG 62 HH12 ARG 62 15.163 -24.181 -19.259 515 2HH1 ARG 62 HH11 ARG 62 13.474 -24.075 -18.796 516 1HH2 ARG 62 HH22 ARG 62 12.964 -27.163 -17.914 517 2HH2 ARG 62 HH21 ARG 62 12.442 -25.511 -18.212 518 H ALA 63 HN ALA 63 19.400 -29.508 -15.240 519 HA ALA 63 HA ALA 63 20.571 -26.989 -15.841 520 1HB ALA 63 HB1 ALA 63 20.298 -27.778 -13.552 521 2HB ALA 63 HB2 ALA 63 21.414 -29.108 -13.843 522 3HB ALA 63 HB3 ALA 63 21.999 -27.447 -13.866 523 H GLU 64 HN GLU 64 22.166 -30.265 -16.046 524 HA GLU 64 HA GLU 64 24.589 -28.997 -17.033 525 1HB GLU 64 HB1 GLU 64 23.948 -31.929 -16.679 526 2HB GLU 64 HB2 GLU 64 25.528 -31.278 -17.048 527 1HG GLU 64 HG1 GLU 64 23.972 -30.827 -14.459 528 2HG GLU 64 HG2 GLU 64 25.372 -31.862 -14.656 529 H GLN 65 HN GLN 65 23.180 -28.108 -18.829 530 HA GLN 65 HA GLN 65 23.355 -29.827 -21.233 531 1HB GLN 65 HB1 GLN 65 21.893 -27.226 -20.728 532 2HB GLN 65 HB2 GLN 65 22.044 -27.936 -22.324 533 1HG GLN 65 HG1 GLN 65 20.844 -29.970 -21.565 534 2HG GLN 65 HG2 GLN 65 20.694 -29.303 -19.949 535 1HE2 GLN 65 HE21 GLN 65 17.939 -27.286 -20.885 536 2HE2 GLN 65 HE22 GLN 65 19.024 -27.712 -19.579 Start of MODEL 5 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 18.228 -37.650 -3.776 2 2H MET 1 HT2 MET 1 19.359 -36.911 -2.750 3 3H MET 1 HT1 MET 1 18.715 -36.040 -4.043 4 HA MET 1 HA MET 1 19.844 -37.377 -5.618 5 1HB MET 1 HB1 MET 1 21.565 -36.367 -3.335 6 2HB MET 1 HB2 MET 1 22.216 -36.886 -4.872 7 1HG MET 1 HG1 MET 1 20.886 -35.119 -6.024 8 2HG MET 1 HG2 MET 1 20.287 -34.571 -4.468 9 1HE MET 1 HE3 MET 1 23.613 -35.241 -6.527 10 2HE MET 1 HE1 MET 1 22.751 -33.828 -7.170 11 3HE MET 1 HE2 MET 1 24.303 -33.638 -6.375 12 H LEU 2 HN LEU 2 18.895 -39.407 -3.423 13 HA LEU 2 HA LEU 2 21.227 -41.071 -2.978 14 1HB LEU 2 HB1 LEU 2 18.332 -41.365 -2.191 15 2HB LEU 2 HB2 LEU 2 19.487 -42.636 -1.929 16 HG LEU 2 HG LEU 2 19.082 -41.516 0.110 17 1HD1 LEU 2 HD12 LEU 2 21.349 -42.320 -0.147 18 2HD1 LEU 2 HD13 LEU 2 21.857 -40.781 -0.839 19 3HD1 LEU 2 HD11 LEU 2 21.328 -40.861 0.832 20 1HD2 LEU 2 HD22 LEU 2 18.334 -39.323 -0.624 21 2HD2 LEU 2 HD23 LEU 2 19.609 -39.177 0.582 22 3HD2 LEU 2 HD21 LEU 2 19.973 -38.906 -1.115 23 H GLN 3 HN GLN 3 21.917 -41.681 -4.884 24 HA GLN 3 HA GLN 3 20.683 -42.841 -7.070 25 1HB GLN 3 HB1 GLN 3 23.426 -43.551 -6.000 26 2HB GLN 3 HB2 GLN 3 22.833 -43.864 -7.612 27 1HG GLN 3 HG1 GLN 3 23.713 -41.895 -8.247 28 2HG GLN 3 HG2 GLN 3 22.459 -41.082 -7.332 29 1HE2 GLN 3 HE21 GLN 3 24.833 -40.006 -4.905 30 2HE2 GLN 3 HE22 GLN 3 23.145 -39.929 -5.333 31 H LYS 4 HN LYS 4 21.888 -44.511 -4.224 32 HA LYS 4 HA LYS 4 21.163 -47.145 -4.738 33 1HB LYS 4 HB1 LYS 4 22.529 -46.281 -2.830 34 2HB LYS 4 HB2 LYS 4 21.063 -45.684 -2.076 35 1HG LYS 4 HG1 LYS 4 20.205 -47.991 -1.875 36 2HG LYS 4 HG2 LYS 4 21.617 -48.605 -2.717 37 1HD LYS 4 HD1 LYS 4 23.067 -47.792 -0.895 38 2HD LYS 4 HD2 LYS 4 21.675 -47.132 -0.062 39 1HE LYS 4 HE1 LYS 4 21.928 -50.074 -0.732 40 2HE LYS 4 HE2 LYS 4 22.568 -49.388 0.753 41 1HZ LYS 4 HZ1 LYS 4 20.339 -48.522 1.234 42 2HZ LYS 4 HZ2 LYS 4 19.652 -49.269 -0.131 43 3HZ LYS 4 HZ3 LYS 4 20.333 -50.206 1.114 44 H LYS 5 HN LYS 5 18.986 -44.505 -3.642 45 HA LYS 5 HA LYS 5 16.774 -46.306 -3.249 46 1HB LYS 5 HB1 LYS 5 17.031 -44.242 -1.917 47 2HB LYS 5 HB2 LYS 5 16.753 -43.291 -3.356 48 1HG LYS 5 HG1 LYS 5 14.723 -43.386 -2.037 49 2HG LYS 5 HG2 LYS 5 14.462 -44.203 -3.550 50 1HD LYS 5 HD1 LYS 5 13.373 -45.488 -1.877 51 2HD LYS 5 HD2 LYS 5 14.766 -46.412 -2.363 52 1HE LYS 5 HE1 LYS 5 15.922 -45.364 -0.263 53 2HE LYS 5 HE2 LYS 5 14.283 -44.917 0.212 54 1HZ LYS 5 HZ2 LYS 5 13.660 -47.282 -0.173 55 2HZ LYS 5 HZ3 LYS 5 15.303 -47.692 -0.441 56 3HZ LYS 5 HZ1 LYS 5 14.789 -47.101 1.073 57 H ILE 6 HN ILE 6 17.639 -44.018 -5.919 58 HA ILE 6 HA ILE 6 15.486 -44.825 -7.617 59 HB ILE 6 HB ILE 6 18.239 -44.148 -8.655 60 1HG1 ILE 6 HG11 ILE 6 16.677 -41.991 -9.323 61 2HG1 ILE 6 HG12 ILE 6 16.012 -42.410 -7.765 62 1HG2 ILE 6 HG21 ILE 6 15.588 -44.260 -10.216 63 2HG2 ILE 6 HG22 ILE 6 17.101 -43.627 -10.820 64 3HG2 ILE 6 HG23 ILE 6 16.974 -45.319 -10.412 65 1HD1 ILE 6 HD12 ILE 6 18.944 -41.892 -8.355 66 2HD1 ILE 6 HD13 ILE 6 17.845 -40.764 -7.574 67 3HD1 ILE 6 HD11 ILE 6 18.279 -42.264 -6.765 68 H GLU 7 HN GLU 7 18.781 -46.249 -7.351 69 HA GLU 7 HA GLU 7 18.246 -48.478 -8.981 70 1HB GLU 7 HB1 GLU 7 20.357 -47.887 -6.962 71 2HB GLU 7 HB2 GLU 7 20.178 -49.537 -7.514 72 1HG GLU 7 HG1 GLU 7 21.835 -48.606 -8.938 73 2HG GLU 7 HG2 GLU 7 20.386 -48.647 -9.916 74 H GLU 8 HN GLU 8 17.583 -48.322 -5.395 75 HA GLU 8 HA GLU 8 16.537 -50.950 -5.306 76 1HB GLU 8 HB1 GLU 8 15.845 -48.474 -3.700 77 2HB GLU 8 HB2 GLU 8 15.122 -50.034 -3.364 78 1HG GLU 8 HG1 GLU 8 17.228 -51.002 -2.718 79 2HG GLU 8 HG2 GLU 8 18.133 -49.658 -3.379 80 H GLU 9 HN GLU 9 14.562 -47.949 -5.815 81 HA GLU 9 HA GLU 9 12.119 -49.468 -6.185 82 1HB GLU 9 HB1 GLU 9 12.793 -46.569 -6.682 83 2HB GLU 9 HB2 GLU 9 11.189 -47.249 -6.881 84 1HG GLU 9 HG1 GLU 9 12.742 -47.347 -4.248 85 2HG GLU 9 HG2 GLU 9 11.586 -46.095 -4.638 86 H ALA 10 HN ALA 10 14.126 -47.721 -8.609 87 HA ALA 10 HA ALA 10 12.942 -49.232 -10.765 88 1HB ALA 10 HB2 ALA 10 15.417 -47.514 -10.677 89 2HB ALA 10 HB3 ALA 10 14.713 -48.193 -12.147 90 3HB ALA 10 HB1 ALA 10 13.795 -47.038 -11.189 91 H ALA 11 HN ALA 11 15.534 -50.581 -8.601 92 HA ALA 11 HA ALA 11 15.749 -52.767 -10.438 93 1HB ALA 11 HB2 ALA 11 16.022 -52.793 -7.415 94 2HB ALA 11 HB3 ALA 11 16.470 -54.125 -8.494 95 3HB ALA 11 HB1 ALA 11 17.317 -52.579 -8.576 96 H LYS 12 HN LYS 12 13.487 -52.115 -7.805 97 HA LYS 12 HA LYS 12 11.974 -54.518 -7.958 98 1HB LYS 12 HB1 LYS 12 11.484 -51.781 -6.782 99 2HB LYS 12 HB2 LYS 12 10.308 -53.060 -6.648 100 1HG LYS 12 HG1 LYS 12 11.715 -54.385 -5.253 101 2HG LYS 12 HG2 LYS 12 13.147 -53.465 -5.685 102 1HD LYS 12 HD1 LYS 12 12.519 -52.850 -3.451 103 2HD LYS 12 HD2 LYS 12 12.222 -51.487 -4.505 104 1HE LYS 12 HE1 LYS 12 9.769 -52.133 -4.523 105 2HE LYS 12 HE2 LYS 12 10.156 -53.355 -3.313 106 1HZ LYS 12 HZ3 LYS 12 11.122 -51.575 -1.946 107 2HZ LYS 12 HZ1 LYS 12 10.700 -50.381 -3.097 108 3HZ LYS 12 HZ2 LYS 12 9.490 -51.265 -2.274 109 OH TYR 13 OH TYR 13 13.052 -49.552 -16.034 110 H TYR 13 HN TYR 13 12.120 -53.973 -10.496 111 HA TYR 13 HA TYR 13 10.213 -52.411 -11.785 112 1HB TYR 13 HB1 TYR 13 12.098 -54.523 -12.535 113 2HB TYR 13 HB2 TYR 13 10.653 -54.600 -13.511 114 HD1 TYR 13 HD1 TYR 13 11.183 -53.637 -15.592 115 HD2 TYR 13 HD2 TYR 13 12.549 -51.594 -12.103 116 HE1 TYR 13 HE1 TYR 13 11.924 -51.748 -16.966 117 HE2 TYR 13 HE2 TYR 13 13.289 -49.750 -13.495 118 HH TYR 13 HH TYR 13 12.922 -49.743 -16.968 119 H LYS 14 HN LYS 14 9.682 -55.578 -10.476 120 HA LYS 14 HA LYS 14 7.077 -56.112 -11.349 121 1HB LYS 14 HB1 LYS 14 8.431 -57.726 -10.160 122 2HB LYS 14 HB2 LYS 14 8.518 -56.704 -8.748 123 1HG LYS 14 HG1 LYS 14 7.081 -58.403 -8.122 124 2HG LYS 14 HG2 LYS 14 6.000 -57.091 -8.460 125 1HD LYS 14 HD1 LYS 14 6.526 -59.433 -10.300 126 2HD LYS 14 HD2 LYS 14 5.195 -59.326 -9.187 127 1HE LYS 14 HE1 LYS 14 5.590 -57.751 -11.731 128 2HE LYS 14 HE2 LYS 14 4.361 -58.946 -11.373 129 1HZ LYS 14 HZ1 LYS 14 3.607 -57.441 -9.548 130 2HZ LYS 14 HZ2 LYS 14 4.646 -56.221 -10.144 131 3HZ LYS 14 HZ3 LYS 14 3.378 -56.810 -11.103 132 OH TYR 15 OH TYR 15 5.866 -56.577 -3.331 133 H TYR 15 HN TYR 15 8.123 -53.749 -8.899 134 HA TYR 15 HA TYR 15 5.339 -53.109 -8.225 135 1HB TYR 15 HB1 TYR 15 7.987 -52.208 -7.085 136 2HB TYR 15 HB2 TYR 15 6.463 -51.459 -6.646 137 HD1 TYR 15 HD1 TYR 15 4.614 -52.946 -5.687 138 HD2 TYR 15 HD2 TYR 15 8.588 -54.363 -6.117 139 HE1 TYR 15 HE1 TYR 15 4.146 -54.748 -4.077 140 HE2 TYR 15 HE2 TYR 15 8.109 -56.174 -4.509 141 HH TYR 15 HH TYR 15 4.959 -56.530 -3.025 142 H ALA 16 HN ALA 16 4.990 -52.741 -10.288 143 HA ALA 16 HA ALA 16 6.266 -51.141 -12.139 144 1HB ALA 16 HB3 ALA 16 3.345 -51.960 -12.018 145 2HB ALA 16 HB1 ALA 16 4.173 -51.360 -13.452 146 3HB ALA 16 HB2 ALA 16 4.671 -52.881 -12.724 147 H MET 17 HN MET 17 3.531 -50.203 -10.133 148 HA MET 17 HA MET 17 3.201 -47.557 -11.121 149 1HB MET 17 HB1 MET 17 1.512 -48.947 -9.893 150 2HB MET 17 HB2 MET 17 2.430 -48.711 -8.419 151 1HG MET 17 HG1 MET 17 2.000 -46.297 -8.490 152 2HG MET 17 HG2 MET 17 1.197 -46.454 -10.040 153 1HE MET 17 HE1 MET 17 -1.048 -48.083 -10.318 154 2HE MET 17 HE2 MET 17 -2.314 -47.500 -9.252 155 3HE MET 17 HE3 MET 17 -1.334 -46.339 -10.131 156 H LEU 18 HN LEU 18 5.386 -48.852 -8.649 157 HA LEU 18 HA LEU 18 5.913 -46.223 -7.499 158 1HB LEU 18 HB1 LEU 18 7.133 -48.919 -6.831 159 2HB LEU 18 HB2 LEU 18 7.325 -47.448 -5.903 160 HG LEU 18 HG LEU 18 4.726 -48.964 -6.315 161 1HD1 LEU 18 HD13 LEU 18 6.476 -48.634 -3.869 162 2HD1 LEU 18 HD11 LEU 18 4.909 -49.441 -3.896 163 3HD1 LEU 18 HD12 LEU 18 6.264 -50.109 -4.798 164 1HD2 LEU 18 HD22 LEU 18 5.253 -46.481 -4.663 165 2HD2 LEU 18 HD23 LEU 18 4.263 -46.556 -6.113 166 3HD2 LEU 18 HD21 LEU 18 3.748 -47.406 -4.657 167 H LYS 19 HN LYS 19 7.924 -48.675 -9.251 168 HA LYS 19 HA LYS 19 9.908 -46.726 -9.816 169 1HB LYS 19 HB1 LYS 19 10.693 -48.228 -11.592 170 2HB LYS 19 HB2 LYS 19 10.285 -49.149 -10.167 171 1HG LYS 19 HG1 LYS 19 9.236 -50.539 -11.602 172 2HG LYS 19 HG2 LYS 19 7.940 -49.373 -11.569 173 1HD LYS 19 HD1 LYS 19 8.965 -48.249 -13.578 174 2HD LYS 19 HD2 LYS 19 10.141 -49.531 -13.647 175 1HE LYS 19 HE1 LYS 19 7.153 -49.926 -13.901 176 2HE LYS 19 HE2 LYS 19 8.250 -49.749 -15.259 177 1HZ LYS 19 HZ3 LYS 19 9.506 -51.660 -14.353 178 2HZ LYS 19 HZ1 LYS 19 8.268 -51.985 -13.249 179 3HZ LYS 19 HZ2 LYS 19 7.956 -52.063 -14.891 180 H LYS 20 HN LYS 20 6.777 -47.269 -11.630 181 HA LYS 20 HA LYS 20 7.287 -45.279 -13.566 182 1HB LYS 20 HB1 LYS 20 5.212 -46.950 -13.097 183 2HB LYS 20 HB2 LYS 20 4.528 -45.521 -12.379 184 1HG LYS 20 HG1 LYS 20 5.351 -45.857 -15.277 185 2HG LYS 20 HG2 LYS 20 3.719 -45.832 -14.649 186 1HD LYS 20 HD1 LYS 20 4.294 -43.426 -13.843 187 2HD LYS 20 HD2 LYS 20 5.647 -43.537 -14.945 188 1HE LYS 20 HE1 LYS 20 3.942 -44.085 -16.768 189 2HE LYS 20 HE2 LYS 20 2.702 -43.627 -15.598 190 1HZ LYS 20 HZ2 LYS 20 4.136 -41.476 -15.262 191 2HZ LYS 20 HZ3 LYS 20 4.952 -41.920 -16.707 192 3HZ LYS 20 HZ1 LYS 20 3.259 -41.629 -16.726 193 H CYS 21 HN CYS 21 5.905 -44.789 -10.137 194 HA CYS 21 HA CYS 21 5.884 -42.035 -10.147 195 1HB CYS 21 HB1 CYS 21 6.750 -43.922 -7.966 196 2HB CYS 21 HB2 CYS 21 6.546 -42.205 -7.714 197 H CYS 22 HN CYS 22 8.852 -43.981 -9.468 198 HA CYS 22 HA CYS 22 10.859 -41.961 -9.718 199 1HB CYS 22 HB1 CYS 22 11.020 -44.576 -9.417 200 2HB CYS 22 HB2 CYS 22 11.510 -44.407 -11.059 201 OH TYR 23 OH TYR 23 13.681 -47.523 -14.492 202 H TYR 23 HN TYR 23 9.401 -43.578 -12.428 203 HA TYR 23 HA TYR 23 10.897 -41.871 -14.157 204 1HB TYR 23 HB1 TYR 23 8.753 -43.842 -14.751 205 2HB TYR 23 HB2 TYR 23 9.854 -43.119 -15.912 206 HD1 TYR 23 HD1 TYR 23 12.027 -43.699 -12.858 207 HD2 TYR 23 HD2 TYR 23 9.736 -45.837 -15.823 208 HE1 TYR 23 HE1 TYR 23 13.758 -45.361 -13.086 209 HE2 TYR 23 HE2 TYR 23 11.491 -47.580 -15.877 210 HH TYR 23 HH TYR 23 13.433 -48.251 -15.111 211 H ASP 24 HN ASP 24 7.541 -41.572 -13.057 212 HA ASP 24 HA ASP 24 6.868 -39.135 -14.312 213 1HB ASP 24 HB1 ASP 24 6.256 -39.887 -11.432 214 2HB ASP 24 HB2 ASP 24 5.555 -38.569 -12.337 215 H GLY 25 HN GLY 25 8.730 -39.524 -11.285 216 1HA GLY 25 HA1 GLY 25 9.643 -36.912 -10.915 217 2HA GLY 25 HA2 GLY 25 10.529 -38.341 -10.458 218 H ALA 26 HN ALA 26 11.199 -39.418 -12.889 219 HA ALA 26 HA ALA 26 13.357 -37.876 -13.839 220 1HB ALA 26 HB3 ALA 26 13.336 -40.302 -13.991 221 2HB ALA 26 HB1 ALA 26 12.020 -40.240 -15.165 222 3HB ALA 26 HB2 ALA 26 13.605 -39.596 -15.581 223 OH TYR 27 OH TYR 27 6.081 -41.711 -17.421 224 H TYR 27 HN TYR 27 10.208 -38.391 -15.690 225 HA TYR 27 HA TYR 27 11.116 -36.245 -17.406 226 1HB TYR 27 HB1 TYR 27 8.833 -36.399 -18.547 227 2HB TYR 27 HB2 TYR 27 10.167 -37.453 -18.891 228 HD1 TYR 27 HD1 TYR 27 7.015 -37.342 -16.835 229 HD2 TYR 27 HD2 TYR 27 9.879 -39.769 -18.816 230 HE1 TYR 27 HE1 TYR 27 5.541 -39.313 -16.586 231 HE2 TYR 27 HE2 TYR 27 8.420 -41.715 -18.568 232 HH TYR 27 HH TYR 27 6.522 -42.462 -17.838 233 NH1 ARG 28 NH1 ARG 28 13.466 -28.828 -13.143 234 NH2 ARG 28 NH2 ARG 28 12.896 -29.984 -11.381 235 H ARG 28 HN ARG 28 11.451 -34.711 -16.012 236 HA ARG 28 HA ARG 28 9.287 -33.206 -14.766 237 1HB ARG 28 HB1 ARG 28 11.935 -33.774 -14.213 238 2HB ARG 28 HB2 ARG 28 12.045 -32.132 -14.792 239 1HG ARG 28 HG1 ARG 28 10.210 -32.997 -12.548 240 2HG ARG 28 HG2 ARG 28 11.861 -32.493 -12.302 241 1HD ARG 28 HD1 ARG 28 9.667 -30.754 -13.449 242 2HD ARG 28 HD2 ARG 28 10.272 -30.662 -11.812 243 HE ARG 28 HE ARG 28 11.727 -29.804 -14.239 244 1HH1 ARG 28 HH12 ARG 28 13.248 -28.527 -14.092 245 2HH1 ARG 28 HH11 ARG 28 14.263 -28.524 -12.642 246 1HH2 ARG 28 HH22 ARG 28 12.255 -30.590 -10.936 247 2HH2 ARG 28 HH21 ARG 28 13.737 -29.654 -10.928 248 H ASN 29 HN ASN 29 9.030 -33.222 -17.592 249 HA ASN 29 HA ASN 29 10.186 -31.049 -18.967 250 1HB ASN 29 HB1 ASN 29 7.665 -32.644 -19.534 251 2HB ASN 29 HB2 ASN 29 8.373 -31.502 -20.666 252 1HD2 ASN 29 HD21 ASN 29 10.991 -33.744 -21.533 253 2HD2 ASN 29 HD22 ASN 29 10.512 -32.077 -21.601 254 H ASP 30 HN ASP 30 7.307 -31.070 -17.008 255 HA ASP 30 HA ASP 30 6.274 -28.524 -17.680 256 1HB ASP 30 HB1 ASP 30 5.172 -28.647 -15.413 257 2HB ASP 30 HB2 ASP 30 4.930 -30.070 -16.407 258 H ASP 31 HN ASP 31 9.094 -29.275 -15.804 259 HA ASP 31 HA ASP 31 10.372 -28.238 -14.309 260 1HB ASP 31 HB1 ASP 31 10.045 -26.186 -16.445 261 2HB ASP 31 HB2 ASP 31 11.056 -25.855 -15.045 262 H GLU 32 HN GLU 32 7.667 -28.237 -13.348 263 HA GLU 32 HA GLU 32 7.564 -25.989 -11.517 264 1HB GLU 32 HB1 GLU 32 6.212 -28.699 -11.569 265 2HB GLU 32 HB2 GLU 32 5.895 -27.510 -10.317 266 1HG GLU 32 HG1 GLU 32 4.951 -25.947 -11.946 267 2HG GLU 32 HG2 GLU 32 5.429 -26.978 -13.286 268 H THR 33 HN THR 33 7.590 -26.464 -9.058 269 HA THR 33 HA THR 33 9.983 -27.730 -8.189 270 HB THR 33 HB THR 33 8.914 -27.314 -5.868 271 HG1 THR 33 HG1 THR 33 7.113 -25.815 -5.971 272 1HG2 THR 33 HG23 THR 33 10.556 -25.729 -6.855 273 2HG2 THR 33 HG21 THR 33 9.231 -24.935 -7.713 274 3HG2 THR 33 HG22 THR 33 9.283 -24.903 -5.955 275 H CYS 34 HN CYS 34 10.329 -29.671 -7.350 276 HA CYS 34 HA CYS 34 8.889 -31.854 -8.295 277 1HB CYS 34 HB1 CYS 34 11.036 -31.633 -6.166 278 2HB CYS 34 HB2 CYS 34 10.435 -33.169 -6.747 279 H GLU 35 HN GLU 35 9.058 -30.645 -5.033 280 HA GLU 35 HA GLU 35 7.300 -32.688 -3.953 281 1HB GLU 35 HB1 GLU 35 7.482 -31.433 -1.780 282 2HB GLU 35 HB2 GLU 35 8.935 -32.151 -2.406 283 1HG GLU 35 HG1 GLU 35 8.331 -29.173 -2.702 284 2HG GLU 35 HG2 GLU 35 9.202 -29.844 -1.334 285 H GLU 36 HN GLU 36 6.627 -29.577 -5.352 286 HA GLU 36 HA GLU 36 3.967 -29.510 -4.136 287 1HB GLU 36 HB1 GLU 36 5.329 -27.689 -6.120 288 2HB GLU 36 HB2 GLU 36 3.625 -27.533 -5.697 289 1HG GLU 36 HG1 GLU 36 4.199 -27.211 -3.313 290 2HG GLU 36 HG2 GLU 36 5.901 -27.470 -3.656 291 NH1 ARG 37 NH1 ARG 37 8.399 -34.894 -12.226 292 NH2 ARG 37 NH2 ARG 37 7.087 -33.840 -13.601 293 H ARG 37 HN ARG 37 5.309 -30.178 -7.426 294 HA ARG 37 HA ARG 37 2.809 -31.198 -8.345 295 1HB ARG 37 HB1 ARG 37 3.766 -32.060 -10.243 296 2HB ARG 37 HB2 ARG 37 4.503 -30.511 -9.935 297 1HG ARG 37 HG1 ARG 37 6.593 -31.553 -9.276 298 2HG ARG 37 HG2 ARG 37 5.876 -33.157 -9.356 299 1HD ARG 37 HD1 ARG 37 5.362 -32.644 -11.825 300 2HD ARG 37 HD2 ARG 37 6.459 -31.273 -11.666 301 HE ARG 37 HE ARG 37 8.062 -33.158 -10.741 302 1HH1 ARG 37 HH12 ARG 37 8.874 -34.944 -11.364 303 2HH1 ARG 37 HH11 ARG 37 8.541 -35.590 -12.942 304 1HH2 ARG 37 HH22 ARG 37 6.514 -33.044 -13.842 305 2HH2 ARG 37 HH21 ARG 37 7.325 -34.526 -14.285 306 H ALA 38 HN ALA 38 5.526 -32.968 -6.691 307 HA ALA 38 HA ALA 38 3.730 -35.205 -6.413 308 1HB ALA 38 HB3 ALA 38 6.559 -34.866 -5.622 309 2HB ALA 38 HB1 ALA 38 5.579 -36.312 -5.299 310 3HB ALA 38 HB2 ALA 38 5.788 -35.765 -6.964 311 H ALA 39 HN ALA 39 3.870 -32.399 -4.271 312 HA ALA 39 HA ALA 39 2.234 -33.740 -2.421 313 1HB ALA 39 HB1 ALA 39 2.892 -31.391 -2.154 314 2HB ALA 39 HB2 ALA 39 1.909 -30.935 -3.543 315 3HB ALA 39 HB3 ALA 39 1.137 -31.551 -2.082 316 NH1 ARG 40 NH1 ARG 40 2.125 -28.551 -8.916 317 NH2 ARG 40 NH2 ARG 40 0.538 -28.908 -10.326 318 H ARG 40 HN ARG 40 1.339 -32.409 -5.634 319 HA ARG 40 HA ARG 40 -1.280 -33.555 -5.634 320 1HB ARG 40 HB1 ARG 40 0.531 -32.627 -7.859 321 2HB ARG 40 HB2 ARG 40 -1.076 -33.264 -8.165 322 1HG ARG 40 HG1 ARG 40 -2.132 -31.499 -6.930 323 2HG ARG 40 HG2 ARG 40 -0.615 -30.958 -6.243 324 1HD ARG 40 HD1 ARG 40 -1.055 -30.907 -9.223 325 2HD ARG 40 HD2 ARG 40 -1.649 -29.597 -8.200 326 HE ARG 40 HE ARG 40 1.009 -29.981 -7.437 327 1HH1 ARG 40 HH12 ARG 40 2.539 -28.649 -8.026 328 2HH1 ARG 40 HH11 ARG 40 2.546 -28.040 -9.687 329 1HH2 ARG 40 HH22 ARG 40 -0.327 -29.313 -10.572 330 2HH2 ARG 40 HH21 ARG 40 1.092 -28.363 -10.952 331 H ILE 41 HN ILE 41 1.652 -35.037 -7.221 332 HA ILE 41 HA ILE 41 0.473 -37.592 -7.222 333 HB ILE 41 HB ILE 41 3.473 -37.156 -7.450 334 1HG1 ILE 41 HG11 ILE 41 2.426 -37.972 -9.890 335 2HG1 ILE 41 HG12 ILE 41 1.169 -36.863 -9.310 336 1HG2 ILE 41 HG23 ILE 41 1.784 -39.504 -7.938 337 2HG2 ILE 41 HG21 ILE 41 3.508 -39.168 -8.432 338 3HG2 ILE 41 HG22 ILE 41 3.034 -39.329 -6.699 339 1HD1 ILE 41 HD12 ILE 41 4.048 -36.236 -9.151 340 2HD1 ILE 41 HD13 ILE 41 3.096 -35.805 -10.611 341 3HD1 ILE 41 HD11 ILE 41 2.735 -35.102 -9.022 342 H LYS 42 HN LYS 42 -0.376 -37.772 -5.599 343 HA LYS 42 HA LYS 42 0.772 -37.974 -2.868 344 1HB LYS 42 HB1 LYS 42 -1.496 -37.674 -2.003 345 2HB LYS 42 HB2 LYS 42 -0.983 -36.364 -3.050 346 1HG LYS 42 HG1 LYS 42 -2.360 -37.298 -4.896 347 2HG LYS 42 HG2 LYS 42 -2.888 -38.608 -3.840 348 1HD LYS 42 HD1 LYS 42 -3.913 -36.960 -2.313 349 2HD LYS 42 HD2 LYS 42 -3.359 -35.650 -3.349 350 1HE LYS 42 HE1 LYS 42 -4.726 -36.542 -5.209 351 2HE LYS 42 HE2 LYS 42 -5.289 -37.849 -4.165 352 1HZ LYS 42 HZ1 LYS 42 -5.610 -34.949 -3.630 353 2HZ LYS 42 HZ2 LYS 42 -6.847 -35.980 -4.160 354 3HZ LYS 42 HZ3 LYS 42 -6.151 -36.198 -2.630 355 H ILE 43 HN ILE 43 0.745 -40.254 -4.906 356 HA ILE 43 HA ILE 43 -1.287 -42.121 -4.221 357 HB ILE 43 HB ILE 43 1.259 -42.472 -5.818 358 1HG1 ILE 43 HG11 ILE 43 -1.597 -42.221 -6.803 359 2HG1 ILE 43 HG12 ILE 43 -0.541 -40.840 -6.647 360 1HG2 ILE 43 HG22 ILE 43 -1.106 -44.376 -5.624 361 2HG2 ILE 43 HG23 ILE 43 0.238 -44.539 -6.746 362 3HG2 ILE 43 HG21 ILE 43 0.518 -44.701 -5.033 363 1HD1 ILE 43 HD12 ILE 43 1.035 -41.860 -8.290 364 2HD1 ILE 43 HD13 ILE 43 -0.071 -43.211 -8.497 365 3HD1 ILE 43 HD11 ILE 43 -0.569 -41.595 -8.965 366 H GLY 44 HN GLY 44 2.145 -42.045 -3.159 367 1HA GLY 44 HA1 GLY 44 1.453 -43.188 -0.655 368 2HA GLY 44 HA2 GLY 44 2.107 -44.448 -1.677 369 HA PRO 45 HA PRO 45 5.412 -41.877 0.725 370 1HB PRO 45 HB1 PRO 45 6.390 -43.807 2.410 371 2HB PRO 45 HB2 PRO 45 5.048 -42.723 2.800 372 1HG PRO 45 HG1 PRO 45 4.914 -45.555 1.714 373 2HG PRO 45 HG2 PRO 45 4.035 -44.841 3.074 374 1HD PRO 45 HD1 PRO 45 2.856 -45.033 0.690 375 2HD PRO 45 HD2 PRO 45 2.615 -43.577 1.680 376 H LYS 46 HN LYS 46 5.916 -45.264 -0.281 377 HA LYS 46 HA LYS 46 8.599 -44.991 -1.156 378 1HB LYS 46 HB1 LYS 46 6.428 -46.952 -1.928 379 2HB LYS 46 HB2 LYS 46 8.070 -47.048 -2.532 380 1HG LYS 46 HG1 LYS 46 8.913 -47.270 -0.199 381 2HG LYS 46 HG2 LYS 46 7.254 -47.236 0.388 382 1HD LYS 46 HD1 LYS 46 6.735 -49.278 -0.884 383 2HD LYS 46 HD2 LYS 46 8.330 -49.262 -1.600 384 1HE LYS 46 HE1 LYS 46 8.337 -50.943 0.096 385 2HE LYS 46 HE2 LYS 46 9.312 -49.603 0.684 386 1HZ LYS 46 HZ3 LYS 46 6.454 -50.060 1.336 387 2HZ LYS 46 HZ1 LYS 46 7.749 -50.405 2.372 388 3HZ LYS 46 HZ2 LYS 46 7.417 -48.807 1.931 389 H CYS 47 HN CYS 47 5.559 -44.293 -2.763 390 HA CYS 47 HA CYS 47 6.558 -43.875 -5.394 391 1HB CYS 47 HB1 CYS 47 4.193 -44.259 -5.088 392 2HB CYS 47 HB2 CYS 47 4.063 -42.893 -4.009 393 H VAL 48 HN VAL 48 5.459 -41.188 -3.124 394 HA VAL 48 HA VAL 48 6.848 -39.270 -4.162 395 HB VAL 48 HB VAL 48 7.282 -39.022 -1.246 396 1HG1 VAL 48 HG11 VAL 48 7.043 -37.128 -2.974 397 2HG1 VAL 48 HG12 VAL 48 5.411 -37.758 -3.265 398 3HG1 VAL 48 HG13 VAL 48 5.807 -37.004 -1.713 399 1HG2 VAL 48 HG23 VAL 48 5.572 -40.529 -0.991 400 2HG2 VAL 48 HG21 VAL 48 5.071 -38.909 -0.479 401 3HG2 VAL 48 HG22 VAL 48 4.477 -39.584 -2.001 402 H LYS 49 HN LYS 49 8.448 -41.536 -1.891 403 HA LYS 49 HA LYS 49 11.005 -40.354 -2.051 404 1HB LYS 49 HB1 LYS 49 9.881 -42.670 -0.818 405 2HB LYS 49 HB2 LYS 49 11.349 -43.176 -1.624 406 1HG LYS 49 HG1 LYS 49 11.267 -40.730 0.186 407 2HG LYS 49 HG2 LYS 49 11.555 -42.343 0.812 408 1HD LYS 49 HD1 LYS 49 13.557 -42.597 -0.400 409 2HD LYS 49 HD2 LYS 49 13.240 -41.236 -1.455 410 1HE LYS 49 HE1 LYS 49 13.559 -39.701 0.445 411 2HE LYS 49 HE2 LYS 49 13.927 -41.086 1.483 412 1HZ LYS 49 HZ1 LYS 49 15.350 -40.521 -1.134 413 2HZ LYS 49 HZ2 LYS 49 15.936 -40.063 0.414 414 3HZ LYS 49 HZ3 LYS 49 15.718 -41.697 0.033 415 H ALA 50 HN ALA 50 9.938 -43.146 -4.096 416 HA ALA 50 HA ALA 50 12.097 -43.276 -5.934 417 1HB ALA 50 HB2 ALA 50 10.140 -44.838 -5.820 418 2HB ALA 50 HB3 ALA 50 9.113 -43.593 -6.477 419 3HB ALA 50 HB1 ALA 50 10.392 -44.300 -7.458 420 H PHE 51 HN PHE 51 9.156 -41.246 -6.096 421 HA PHE 51 HA PHE 51 9.682 -39.723 -8.370 422 1HB PHE 51 HB1 PHE 51 7.583 -39.908 -6.816 423 2HB PHE 51 HB2 PHE 51 8.311 -38.623 -5.892 424 HD1 PHE 51 HD1 PHE 51 6.009 -39.253 -8.480 425 HD2 PHE 51 HD2 PHE 51 8.951 -36.408 -7.314 426 HE1 PHE 51 HE1 PHE 51 5.212 -37.801 -10.122 427 HE2 PHE 51 HE2 PHE 51 8.146 -34.899 -9.049 428 HZ PHE 51 HZ PHE 51 6.312 -35.602 -10.536 429 H LYS 52 HN LYS 52 10.345 -38.644 -4.968 430 HA LYS 52 HA LYS 52 11.619 -36.270 -5.714 431 1HB LYS 52 HB1 LYS 52 11.427 -37.861 -3.194 432 2HB LYS 52 HB2 LYS 52 12.670 -36.640 -3.250 433 1HG LYS 52 HG1 LYS 52 9.751 -36.052 -3.869 434 2HG LYS 52 HG2 LYS 52 10.399 -35.972 -2.248 435 1HD LYS 52 HD1 LYS 52 11.516 -34.317 -4.536 436 2HD LYS 52 HD2 LYS 52 10.230 -33.754 -3.496 437 1HE LYS 52 HE1 LYS 52 11.638 -33.747 -1.568 438 2HE LYS 52 HE2 LYS 52 12.912 -34.633 -2.390 439 1HZ LYS 52 HZ1 LYS 52 12.843 -32.703 -4.036 440 2HZ LYS 52 HZ2 LYS 52 12.068 -31.765 -2.836 441 3HZ LYS 52 HZ3 LYS 52 13.657 -32.437 -2.600 442 H ASP 53 HN ASP 53 13.226 -39.490 -5.077 443 HA ASP 53 HA ASP 53 15.789 -38.201 -5.468 444 1HB ASP 53 HB1 ASP 53 14.980 -41.020 -4.934 445 2HB ASP 53 HB2 ASP 53 16.599 -40.684 -5.537 446 H CYS 54 HN CYS 54 13.828 -40.237 -7.734 447 HA CYS 54 HA CYS 54 15.455 -39.755 -9.977 448 1HB CYS 54 HB1 CYS 54 12.602 -40.426 -9.525 449 2HB CYS 54 HB2 CYS 54 13.018 -39.827 -11.104 450 H CYS 55 HN CYS 55 12.932 -37.564 -8.619 451 HA CYS 55 HA CYS 55 13.160 -35.554 -10.568 452 1HB CYS 55 HB1 CYS 55 11.484 -35.927 -8.563 453 2HB CYS 55 HB2 CYS 55 12.563 -34.848 -7.716 454 OH TYR 56 OH TYR 56 15.224 -32.110 -2.509 455 H TYR 56 HN TYR 56 15.095 -35.849 -7.504 456 HA TYR 56 HA TYR 56 16.806 -33.697 -8.097 457 1HB TYR 56 HB1 TYR 56 17.319 -36.226 -6.542 458 2HB TYR 56 HB2 TYR 56 18.576 -35.023 -6.777 459 HD1 TYR 56 HD1 TYR 56 16.042 -35.997 -4.566 460 HD2 TYR 56 HD2 TYR 56 17.714 -32.472 -6.246 461 HE1 TYR 56 HE1 TYR 56 15.146 -34.671 -2.710 462 HE2 TYR 56 HE2 TYR 56 16.746 -31.148 -4.431 463 HH TYR 56 HH TYR 56 15.526 -31.196 -2.556 464 H ILE 57 HN ILE 57 17.216 -37.098 -9.240 465 HA ILE 57 HA ILE 57 19.435 -36.531 -10.914 466 HB ILE 57 HB ILE 57 17.222 -38.502 -11.488 467 1HG1 ILE 57 HG11 ILE 57 17.987 -39.155 -9.398 468 2HG1 ILE 57 HG12 ILE 57 18.799 -40.221 -10.518 469 1HG2 ILE 57 HG23 ILE 57 20.053 -38.498 -12.579 470 2HG2 ILE 57 HG21 ILE 57 18.893 -39.807 -12.775 471 3HG2 ILE 57 HG22 ILE 57 18.578 -38.243 -13.500 472 1HD1 ILE 57 HD13 ILE 57 20.869 -38.821 -10.294 473 2HD1 ILE 57 HD11 ILE 57 20.008 -37.822 -9.123 474 3HD1 ILE 57 HD12 ILE 57 20.343 -39.510 -8.755 475 H ALA 58 HN ALA 58 16.051 -36.269 -11.724 476 HA ALA 58 HA ALA 58 16.207 -35.143 -14.314 477 1HB ALA 58 HB3 ALA 58 14.106 -35.834 -13.318 478 2HB ALA 58 HB1 ALA 58 14.178 -34.477 -12.198 479 3HB ALA 58 HB2 ALA 58 14.034 -34.188 -13.927 480 H ASN 59 HN ASN 59 16.201 -33.244 -11.234 481 HA ASN 59 HA ASN 59 16.786 -30.736 -12.388 482 1HB ASN 59 HB1 ASN 59 17.514 -31.815 -9.651 483 2HB ASN 59 HB2 ASN 59 17.846 -30.163 -10.149 484 1HD2 ASN 59 HD21 ASN 59 14.571 -31.000 -8.440 485 2HD2 ASN 59 HD22 ASN 59 14.984 -32.352 -9.460 486 H GLN 60 HN GLN 60 19.149 -33.194 -11.290 487 HA GLN 60 HA GLN 60 21.509 -31.869 -12.062 488 1HB GLN 60 HB1 GLN 60 21.265 -33.930 -10.651 489 2HB GLN 60 HB2 GLN 60 20.920 -34.841 -12.106 490 1HG GLN 60 HG1 GLN 60 23.231 -34.271 -12.962 491 2HG GLN 60 HG2 GLN 60 23.538 -33.422 -11.456 492 1HE2 GLN 60 HE21 GLN 60 23.572 -37.468 -11.415 493 2HE2 GLN 60 HE22 GLN 60 22.898 -36.664 -12.800 494 H VAL 61 HN VAL 61 19.477 -34.057 -14.064 495 HA VAL 61 HA VAL 61 20.844 -33.574 -16.514 496 HB VAL 61 HB VAL 61 17.979 -34.409 -16.006 497 1HG1 VAL 61 HG11 VAL 61 19.513 -34.537 -18.627 498 2HG1 VAL 61 HG12 VAL 61 17.942 -35.273 -18.329 499 3HG1 VAL 61 HG13 VAL 61 18.103 -33.528 -18.316 500 1HG2 VAL 61 HG21 VAL 61 20.439 -36.022 -16.774 501 2HG2 VAL 61 HG22 VAL 61 19.638 -36.035 -15.204 502 3HG2 VAL 61 HG23 VAL 61 18.809 -36.671 -16.617 503 NH1 ARG 62 NH1 ARG 62 15.774 -27.747 -20.439 504 NH2 ARG 62 NH2 ARG 62 13.903 -27.479 -19.366 505 H ARG 62 HN ARG 62 17.812 -31.903 -15.367 506 HA ARG 62 HA ARG 62 17.837 -30.059 -17.517 507 1HB ARG 62 HB1 ARG 62 16.340 -30.117 -14.921 508 2HB ARG 62 HB2 ARG 62 16.187 -28.778 -16.047 509 1HG ARG 62 HG1 ARG 62 15.911 -31.387 -17.392 510 2HG ARG 62 HG2 ARG 62 14.737 -31.172 -16.112 511 1HD ARG 62 HD1 ARG 62 13.758 -30.402 -18.170 512 2HD ARG 62 HD2 ARG 62 14.061 -29.013 -17.142 513 HE ARG 62 HE ARG 62 16.228 -29.566 -19.067 514 1HH1 ARG 62 HH12 ARG 62 16.646 -28.233 -20.606 515 2HH1 ARG 62 HH11 ARG 62 15.525 -26.963 -20.980 516 1HH2 ARG 62 HH22 ARG 62 13.235 -27.720 -18.645 517 2HH2 ARG 62 HH21 ARG 62 13.733 -26.717 -19.965 518 H ALA 63 HN ALA 63 19.700 -29.793 -14.533 519 HA ALA 63 HA ALA 63 20.593 -27.167 -14.903 520 1HB ALA 63 HB2 ALA 63 21.201 -28.563 -12.983 521 2HB ALA 63 HB3 ALA 63 22.147 -29.626 -14.022 522 3HB ALA 63 HB1 ALA 63 22.658 -27.956 -13.769 523 H GLU 64 HN GLU 64 21.327 -29.952 -16.954 524 HA GLU 64 HA GLU 64 22.993 -28.156 -18.588 525 1HB GLU 64 HB1 GLU 64 24.488 -30.020 -19.201 526 2HB GLU 64 HB2 GLU 64 24.606 -29.413 -17.572 527 1HG GLU 64 HG1 GLU 64 24.866 -31.745 -17.335 528 2HG GLU 64 HG2 GLU 64 23.215 -31.468 -16.838 529 H GLN 65 HN GLN 65 20.582 -30.813 -18.828 530 HA GLN 65 HA GLN 65 20.322 -29.994 -21.678 531 1HB GLN 65 HB1 GLN 65 19.102 -32.437 -20.369 532 2HB GLN 65 HB2 GLN 65 18.978 -32.004 -22.055 533 1HG GLN 65 HG1 GLN 65 21.463 -32.994 -20.626 534 2HG GLN 65 HG2 GLN 65 20.525 -33.836 -21.836 535 1HE2 GLN 65 HE21 GLN 65 23.531 -31.650 -23.104 536 2HE2 GLN 65 HE22 GLN 65 23.370 -32.197 -21.452 Start of MODEL 6 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 11.726 -48.423 0.334 2 2H MET 1 HT2 MET 1 11.970 -49.798 -0.617 3 3H MET 1 HT1 MET 1 12.897 -49.563 0.782 4 HA MET 1 HA MET 1 13.918 -47.636 -0.213 5 1HB MET 1 HB1 MET 1 14.040 -50.225 -1.777 6 2HB MET 1 HB2 MET 1 15.153 -48.902 -2.044 7 1HG MET 1 HG1 MET 1 15.946 -49.086 0.301 8 2HG MET 1 HG2 MET 1 14.835 -50.416 0.571 9 1HE MET 1 HE2 MET 1 18.381 -49.513 -0.201 10 2HE MET 1 HE3 MET 1 18.892 -50.602 -1.477 11 3HE MET 1 HE1 MET 1 17.808 -49.279 -1.867 12 H LEU 2 HN LEU 2 13.988 -46.078 -1.729 13 HA LEU 2 HA LEU 2 11.718 -45.377 -3.203 14 1HB LEU 2 HB1 LEU 2 14.565 -44.334 -3.371 15 2HB LEU 2 HB2 LEU 2 13.196 -43.563 -4.133 16 HG LEU 2 HG LEU 2 13.348 -43.989 -1.133 17 1HD1 LEU 2 HD12 LEU 2 14.151 -41.551 -2.762 18 2HD1 LEU 2 HD13 LEU 2 14.057 -41.622 -1.005 19 3HD1 LEU 2 HD11 LEU 2 15.247 -42.592 -1.860 20 1HD2 LEU 2 HD21 LEU 2 11.685 -42.094 -2.830 21 2HD2 LEU 2 HD22 LEU 2 11.070 -43.530 -2.025 22 3HD2 LEU 2 HD23 LEU 2 11.671 -42.180 -1.074 23 H GLN 3 HN GLN 3 14.812 -46.555 -4.484 24 HA GLN 3 HA GLN 3 14.207 -46.595 -7.221 25 1HB GLN 3 HB1 GLN 3 16.460 -46.845 -6.151 26 2HB GLN 3 HB2 GLN 3 16.032 -48.480 -5.685 27 1HG GLN 3 HG1 GLN 3 15.766 -49.036 -8.161 28 2HG GLN 3 HG2 GLN 3 16.311 -47.410 -8.527 29 1HE2 GLN 3 HE21 GLN 3 19.048 -50.150 -7.417 30 2HE2 GLN 3 HE22 GLN 3 17.364 -50.556 -7.292 31 H LYS 4 HN LYS 4 13.683 -49.124 -4.803 32 HA LYS 4 HA LYS 4 12.598 -51.100 -6.543 33 1HB LYS 4 HB1 LYS 4 13.568 -51.360 -4.155 34 2HB LYS 4 HB2 LYS 4 12.004 -50.820 -3.583 35 1HG LYS 4 HG1 LYS 4 11.840 -53.159 -3.497 36 2HG LYS 4 HG2 LYS 4 11.026 -52.773 -4.996 37 1HD LYS 4 HD1 LYS 4 13.219 -53.263 -6.206 38 2HD LYS 4 HD2 LYS 4 13.858 -53.817 -4.674 39 1HE LYS 4 HE1 LYS 4 13.186 -55.783 -5.720 40 2HE LYS 4 HE2 LYS 4 11.840 -55.436 -4.638 41 1HZ LYS 4 HZ2 LYS 4 11.956 -54.636 -7.563 42 2HZ LYS 4 HZ3 LYS 4 11.106 -55.966 -6.920 43 3HZ LYS 4 HZ1 LYS 4 10.597 -54.394 -6.527 44 H LYS 5 HN LYS 5 10.974 -48.675 -4.432 45 HA LYS 5 HA LYS 5 8.353 -49.205 -5.316 46 1HB LYS 5 HB1 LYS 5 9.610 -46.752 -4.131 47 2HB LYS 5 HB2 LYS 5 7.910 -46.813 -4.554 48 1HG LYS 5 HG1 LYS 5 7.669 -48.828 -3.040 49 2HG LYS 5 HG2 LYS 5 9.324 -48.562 -2.514 50 1HD LYS 5 HD1 LYS 5 7.236 -46.375 -2.376 51 2HD LYS 5 HD2 LYS 5 7.397 -47.549 -1.092 52 1HE LYS 5 HE1 LYS 5 9.286 -46.623 -0.255 53 2HE LYS 5 HE2 LYS 5 9.946 -46.232 -1.838 54 1HZ LYS 5 HZ1 LYS 5 7.638 -44.814 -0.632 55 2HZ LYS 5 HZ2 LYS 5 9.226 -44.238 -0.546 56 3HZ LYS 5 HZ3 LYS 5 8.453 -44.356 -2.067 57 H ILE 6 HN ILE 6 10.665 -46.808 -6.780 58 HA ILE 6 HA ILE 6 8.974 -46.049 -8.934 59 HB ILE 6 HB ILE 6 11.982 -46.370 -9.111 60 1HG1 ILE 6 HG11 ILE 6 10.530 -43.765 -8.661 61 2HG1 ILE 6 HG12 ILE 6 10.970 -44.792 -7.307 62 1HG2 ILE 6 HG21 ILE 6 10.099 -44.714 -10.925 63 2HG2 ILE 6 HG22 ILE 6 11.837 -44.697 -11.001 64 3HG2 ILE 6 HG23 ILE 6 10.966 -46.155 -11.396 65 1HD1 ILE 6 HD12 ILE 6 13.335 -44.704 -7.959 66 2HD1 ILE 6 HD13 ILE 6 12.929 -43.648 -9.308 67 3HD1 ILE 6 HD11 ILE 6 12.671 -43.107 -7.652 68 H GLU 7 HN GLU 7 11.261 -48.826 -8.731 69 HA GLU 7 HA GLU 7 10.667 -50.021 -11.197 70 1HB GLU 7 HB1 GLU 7 12.537 -50.591 -9.632 71 2HB GLU 7 HB2 GLU 7 11.373 -51.400 -8.602 72 1HG GLU 7 HG1 GLU 7 10.859 -52.995 -10.514 73 2HG GLU 7 HG2 GLU 7 12.138 -52.220 -11.440 74 H GLU 8 HN GLU 8 8.931 -50.787 -8.042 75 HA GLU 8 HA GLU 8 7.013 -52.403 -9.380 76 1HB GLU 8 HB1 GLU 8 6.875 -50.935 -6.746 77 2HB GLU 8 HB2 GLU 8 5.444 -51.706 -7.386 78 1HG GLU 8 HG1 GLU 8 6.210 -53.420 -6.063 79 2HG GLU 8 HG2 GLU 8 7.016 -53.850 -7.556 80 H GLU 9 HN GLU 9 6.824 -48.858 -8.844 81 HA GLU 9 HA GLU 9 4.208 -48.698 -10.125 82 1HB GLU 9 HB1 GLU 9 6.123 -46.493 -9.376 83 2HB GLU 9 HB2 GLU 9 4.466 -46.291 -9.912 84 1HG GLU 9 HG1 GLU 9 5.424 -47.545 -7.306 85 2HG GLU 9 HG2 GLU 9 4.501 -46.078 -7.488 86 H ALA 10 HN ALA 10 7.441 -47.697 -11.371 87 HA ALA 10 HA ALA 10 6.239 -48.119 -14.048 88 1HB ALA 10 HB2 ALA 10 7.377 -45.931 -13.630 89 2HB ALA 10 HB3 ALA 10 8.841 -46.769 -13.137 90 3HB ALA 10 HB1 ALA 10 8.314 -46.841 -14.810 91 H ALA 11 HN ALA 11 7.064 -50.656 -12.611 92 HA ALA 11 HA ALA 11 8.986 -51.968 -13.906 93 1HB ALA 11 HB3 ALA 11 7.542 -52.902 -12.194 94 2HB ALA 11 HB1 ALA 11 6.172 -52.925 -13.299 95 3HB ALA 11 HB2 ALA 11 7.548 -53.983 -13.597 96 H LYS 12 HN LYS 12 8.033 -50.256 -16.007 97 HA LYS 12 HA LYS 12 7.098 -50.029 -18.110 98 1HB LYS 12 HB1 LYS 12 8.958 -52.381 -18.367 99 2HB LYS 12 HB2 LYS 12 8.282 -51.523 -19.736 100 1HG LYS 12 HG1 LYS 12 9.346 -49.413 -18.931 101 2HG LYS 12 HG2 LYS 12 9.999 -50.269 -17.550 102 1HD LYS 12 HD1 LYS 12 11.786 -50.074 -19.084 103 2HD LYS 12 HD2 LYS 12 11.265 -51.744 -19.173 104 1HE LYS 12 HE1 LYS 12 10.029 -51.269 -21.258 105 2HE LYS 12 HE2 LYS 12 10.497 -49.572 -21.150 106 1HZ LYS 12 HZ1 LYS 12 12.361 -51.876 -21.291 107 2HZ LYS 12 HZ2 LYS 12 12.013 -50.831 -22.577 108 3HZ LYS 12 HZ3 LYS 12 12.813 -50.251 -21.201 109 OH TYR 13 OH TYR 13 2.032 -50.079 -11.652 110 H TYR 13 HN TYR 13 4.898 -50.901 -16.917 111 HA TYR 13 HA TYR 13 4.088 -53.444 -18.069 112 1HB TYR 13 HB1 TYR 13 3.517 -54.229 -15.898 113 2HB TYR 13 HB2 TYR 13 5.108 -53.552 -15.750 114 HD1 TYR 13 HD1 TYR 13 2.253 -53.908 -14.015 115 HD2 TYR 13 HD2 TYR 13 4.920 -50.664 -14.959 116 HE1 TYR 13 HE1 TYR 13 1.355 -52.569 -12.171 117 HE2 TYR 13 HE2 TYR 13 3.860 -49.366 -13.291 118 HH TYR 13 HH TYR 13 2.573 -49.277 -11.675 119 H LYS 14 HN LYS 14 1.696 -53.010 -16.275 120 HA LYS 14 HA LYS 14 -0.005 -52.337 -18.514 121 1HB LYS 14 HB1 LYS 14 -0.678 -53.237 -15.692 122 2HB LYS 14 HB2 LYS 14 -1.849 -53.045 -16.981 123 1HG LYS 14 HG1 LYS 14 -0.721 -54.780 -18.315 124 2HG LYS 14 HG2 LYS 14 0.498 -54.977 -17.067 125 1HD LYS 14 HD1 LYS 14 -1.270 -55.673 -15.464 126 2HD LYS 14 HD2 LYS 14 -2.475 -55.500 -16.734 127 1HE LYS 14 HE1 LYS 14 -1.319 -57.229 -18.071 128 2HE LYS 14 HE2 LYS 14 -0.109 -57.403 -16.799 129 1HZ LYS 14 HZ3 LYS 14 -1.873 -57.972 -15.251 130 2HZ LYS 14 HZ1 LYS 14 -3.030 -57.806 -16.470 131 3HZ LYS 14 HZ2 LYS 14 -1.882 -59.047 -16.560 132 OH TYR 15 OH TYR 15 -4.703 -52.862 -12.057 133 H TYR 15 HN TYR 15 0.484 -50.846 -15.312 134 HA TYR 15 HA TYR 15 -1.701 -49.012 -15.722 135 1HB TYR 15 HB1 TYR 15 0.207 -49.453 -13.436 136 2HB TYR 15 HB2 TYR 15 -0.987 -48.188 -13.416 137 HD1 TYR 15 HD1 TYR 15 -0.471 -51.356 -12.238 138 HD2 TYR 15 HD2 TYR 15 -3.476 -49.189 -14.307 139 HE1 TYR 15 HE1 TYR 15 -2.149 -52.979 -11.494 140 HE2 TYR 15 HE2 TYR 15 -5.158 -50.810 -13.530 141 HH TYR 15 HH TYR 15 -4.302 -53.543 -11.515 142 H ALA 16 HN ALA 16 -0.972 -48.150 -17.549 143 HA ALA 16 HA ALA 16 1.189 -46.587 -18.196 144 1HB ALA 16 HB3 ALA 16 -0.453 -47.400 -19.791 145 2HB ALA 16 HB1 ALA 16 -1.679 -46.326 -19.132 146 3HB ALA 16 HB2 ALA 16 -0.274 -45.658 -19.957 147 H MET 17 HN MET 17 -1.844 -45.144 -16.947 148 HA MET 17 HA MET 17 -0.840 -42.477 -16.964 149 1HB MET 17 HB1 MET 17 -3.222 -43.691 -15.544 150 2HB MET 17 HB2 MET 17 -2.854 -41.978 -15.548 151 1HG MET 17 HG1 MET 17 -3.049 -41.931 -18.018 152 2HG MET 17 HG2 MET 17 -3.400 -43.647 -18.032 153 1HE MET 17 HE2 MET 17 -4.645 -40.202 -16.467 154 2HE MET 17 HE3 MET 17 -4.925 -40.229 -18.223 155 3HE MET 17 HE1 MET 17 -6.279 -40.242 -17.105 156 H LEU 18 HN LEU 18 -0.693 -44.999 -14.535 157 HA LEU 18 HA LEU 18 0.049 -43.323 -12.348 158 1HB LEU 18 HB1 LEU 18 0.119 -46.326 -12.798 159 2HB LEU 18 HB2 LEU 18 0.364 -45.541 -11.258 160 HG LEU 18 HG LEU 18 -1.771 -46.463 -11.271 161 1HD1 LEU 18 HD12 LEU 18 -1.599 -44.295 -10.173 162 2HD1 LEU 18 HD13 LEU 18 -2.034 -43.487 -11.670 163 3HD1 LEU 18 HD11 LEU 18 -3.225 -44.480 -10.831 164 1HD2 LEU 18 HD23 LEU 18 -2.459 -46.708 -13.576 165 2HD2 LEU 18 HD21 LEU 18 -3.694 -45.915 -12.621 166 3HD2 LEU 18 HD22 LEU 18 -2.693 -44.969 -13.699 167 H LYS 19 HN LYS 19 2.021 -45.832 -14.139 168 HA LYS 19 HA LYS 19 4.427 -44.671 -13.322 169 1HB LYS 19 HB1 LYS 19 5.533 -45.778 -15.163 170 2HB LYS 19 HB2 LYS 19 4.385 -46.836 -14.373 171 1HG LYS 19 HG1 LYS 19 2.834 -46.540 -16.282 172 2HG LYS 19 HG2 LYS 19 4.015 -45.515 -17.084 173 1HD LYS 19 HD1 LYS 19 5.664 -47.443 -16.953 174 2HD LYS 19 HD2 LYS 19 4.357 -48.450 -16.361 175 1HE LYS 19 HE1 LYS 19 4.213 -46.987 -19.004 176 2HE LYS 19 HE2 LYS 19 4.914 -48.590 -18.859 177 1HZ LYS 19 HZ3 LYS 19 2.284 -48.129 -17.677 178 2HZ LYS 19 HZ1 LYS 19 2.386 -48.287 -19.362 179 3HZ LYS 19 HZ2 LYS 19 2.827 -49.582 -18.387 180 H LYS 20 HN LYS 20 2.375 -43.470 -16.047 181 HA LYS 20 HA LYS 20 4.151 -41.382 -16.760 182 1HB LYS 20 HB1 LYS 20 2.007 -42.223 -17.904 183 2HB LYS 20 HB2 LYS 20 1.128 -41.241 -16.775 184 1HG LYS 20 HG1 LYS 20 3.163 -40.085 -18.697 185 2HG LYS 20 HG2 LYS 20 1.495 -40.332 -19.145 186 1HD LYS 20 HD1 LYS 20 2.448 -38.498 -16.930 187 2HD LYS 20 HD2 LYS 20 2.004 -37.995 -18.542 188 1HE LYS 20 HE1 LYS 20 -0.310 -38.599 -18.190 189 2HE LYS 20 HE2 LYS 20 0.064 -39.342 -16.632 190 1HZ LYS 20 HZ3 LYS 20 0.946 -37.202 -15.829 191 2HZ LYS 20 HZ1 LYS 20 0.540 -36.494 -17.311 192 3HZ LYS 20 HZ2 LYS 20 -0.696 -37.068 -16.294 193 H CYS 21 HN CYS 21 1.589 -41.318 -14.010 194 HA CYS 21 HA CYS 21 2.369 -38.853 -13.018 195 1HB CYS 21 HB1 CYS 21 1.358 -41.312 -11.691 196 2HB CYS 21 HB2 CYS 21 1.954 -40.026 -10.675 197 H CYS 22 HN CYS 22 4.086 -41.937 -12.283 198 HA CYS 22 HA CYS 22 6.444 -40.874 -11.043 199 1HB CYS 22 HB1 CYS 22 5.821 -43.326 -11.780 200 2HB CYS 22 HB2 CYS 22 6.979 -42.914 -12.992 201 OH TYR 23 OH TYR 23 9.595 -45.500 -16.470 202 H TYR 23 HN TYR 23 5.926 -40.995 -14.481 203 HA TYR 23 HA TYR 23 8.358 -39.537 -14.821 204 1HB TYR 23 HB1 TYR 23 6.277 -40.326 -16.794 205 2HB TYR 23 HB2 TYR 23 7.903 -39.772 -17.157 206 HD1 TYR 23 HD1 TYR 23 7.107 -42.176 -18.197 207 HD2 TYR 23 HD2 TYR 23 8.384 -41.929 -14.088 208 HE1 TYR 23 HE1 TYR 23 8.249 -44.355 -18.392 209 HE2 TYR 23 HE2 TYR 23 9.594 -43.985 -14.397 210 HH TYR 23 HH TYR 23 9.480 -45.869 -17.346 211 H ASP 24 HN ASP 24 5.032 -38.318 -14.696 212 HA ASP 24 HA ASP 24 5.615 -35.561 -14.920 213 1HB ASP 24 HB1 ASP 24 3.695 -36.868 -12.954 214 2HB ASP 24 HB2 ASP 24 3.869 -35.156 -13.229 215 H GLY 25 HN GLY 25 5.973 -37.540 -11.942 216 1HA GLY 25 HA1 GLY 25 7.253 -35.580 -10.365 217 2HA GLY 25 HA2 GLY 25 7.402 -37.303 -10.127 218 H ALA 26 HN ALA 26 8.790 -38.004 -12.448 219 HA ALA 26 HA ALA 26 11.470 -37.185 -12.012 220 1HB ALA 26 HB2 ALA 26 10.907 -39.321 -13.070 221 2HB ALA 26 HB3 ALA 26 10.265 -38.477 -14.477 222 3HB ALA 26 HB1 ALA 26 11.982 -38.389 -14.104 223 OH TYR 27 OH TYR 27 9.353 -29.757 -19.842 224 H TYR 27 HN TYR 27 9.194 -36.028 -14.582 225 HA TYR 27 HA TYR 27 11.060 -34.072 -15.539 226 1HB TYR 27 HB1 TYR 27 9.280 -35.130 -16.913 227 2HB TYR 27 HB2 TYR 27 8.069 -34.314 -15.954 228 HD1 TYR 27 HD1 TYR 27 11.204 -33.309 -17.845 229 HD2 TYR 27 HD2 TYR 27 7.127 -32.446 -17.001 230 HE1 TYR 27 HE1 TYR 27 11.290 -31.360 -19.345 231 HE2 TYR 27 HE2 TYR 27 7.229 -30.511 -18.507 232 HH TYR 27 HH TYR 27 8.515 -29.291 -19.853 233 NH1 ARG 28 NH1 ARG 28 12.364 -29.266 -5.805 234 NH2 ARG 28 NH2 ARG 28 12.733 -31.389 -6.035 235 H ARG 28 HN ARG 28 11.542 -33.361 -13.249 236 HA ARG 28 HA ARG 28 9.905 -31.071 -12.404 237 1HB ARG 28 HB1 ARG 28 10.994 -32.723 -10.843 238 2HB ARG 28 HB2 ARG 28 12.546 -32.057 -11.324 239 1HG ARG 28 HG1 ARG 28 11.877 -29.844 -10.416 240 2HG ARG 28 HG2 ARG 28 10.318 -30.501 -9.945 241 1HD ARG 28 HD1 ARG 28 11.419 -32.101 -8.457 242 2HD ARG 28 HD2 ARG 28 13.003 -31.521 -8.973 243 HE ARG 28 HE ARG 28 11.544 -29.297 -8.001 244 1HH1 ARG 28 HH12 ARG 28 12.033 -28.373 -6.182 245 2HH1 ARG 28 HH11 ARG 28 12.689 -29.363 -4.876 246 1HH2 ARG 28 HH22 ARG 28 12.676 -32.202 -6.592 247 2HH2 ARG 28 HH21 ARG 28 13.073 -31.423 -5.082 248 H ASN 29 HN ASN 29 10.187 -29.074 -13.265 249 HA ASN 29 HA ASN 29 12.688 -28.457 -14.705 250 1HB ASN 29 HB1 ASN 29 11.365 -27.892 -16.753 251 2HB ASN 29 HB2 ASN 29 11.292 -29.587 -16.321 252 1HD2 ASN 29 HD21 ASN 29 8.388 -29.226 -14.522 253 2HD2 ASN 29 HD22 ASN 29 8.667 -30.333 -15.832 254 H ASP 30 HN ASP 30 10.048 -26.280 -15.471 255 HA ASP 30 HA ASP 30 11.220 -24.040 -14.214 256 1HB ASP 30 HB1 ASP 30 9.755 -24.065 -16.255 257 2HB ASP 30 HB2 ASP 30 8.376 -24.465 -15.247 258 H ASP 31 HN ASP 31 8.992 -26.391 -13.012 259 HA ASP 31 HA ASP 31 7.971 -24.973 -10.772 260 1HB ASP 31 HB1 ASP 31 7.221 -27.237 -10.020 261 2HB ASP 31 HB2 ASP 31 6.748 -26.842 -11.658 262 H GLU 32 HN GLU 32 8.910 -24.433 -9.024 263 HA GLU 32 HA GLU 32 11.513 -25.085 -8.166 264 1HB GLU 32 HB1 GLU 32 9.213 -23.793 -6.674 265 2HB GLU 32 HB2 GLU 32 10.847 -23.908 -6.046 266 1HG GLU 32 HG1 GLU 32 11.713 -22.543 -7.911 267 2HG GLU 32 HG2 GLU 32 10.125 -22.487 -8.657 268 H THR 33 HN THR 33 8.450 -26.130 -6.579 269 HA THR 33 HA THR 33 9.966 -28.340 -5.317 270 HB THR 33 HB THR 33 7.809 -26.682 -3.997 271 HG1 THR 33 HG1 THR 33 9.669 -26.170 -2.628 272 1HG2 THR 33 HG22 THR 33 9.596 -28.844 -2.825 273 2HG2 THR 33 HG23 THR 33 8.440 -27.864 -1.934 274 3HG2 THR 33 HG21 THR 33 7.864 -29.044 -3.100 275 H CYS 34 HN CYS 34 9.295 -30.222 -6.156 276 HA CYS 34 HA CYS 34 6.935 -30.589 -7.594 277 1HB CYS 34 HB1 CYS 34 7.560 -32.983 -7.676 278 2HB CYS 34 HB2 CYS 34 8.732 -31.842 -8.270 279 H GLU 35 HN GLU 35 7.425 -31.247 -4.183 280 HA GLU 35 HA GLU 35 5.032 -32.753 -3.814 281 1HB GLU 35 HB1 GLU 35 6.950 -32.775 -2.264 282 2HB GLU 35 HB2 GLU 35 6.600 -31.123 -1.785 283 1HG GLU 35 HG1 GLU 35 4.481 -31.799 -0.754 284 2HG GLU 35 HG2 GLU 35 4.624 -33.421 -1.401 285 H GLU 36 HN GLU 36 5.463 -29.221 -3.894 286 HA GLU 36 HA GLU 36 2.804 -28.579 -2.974 287 1HB GLU 36 HB1 GLU 36 4.676 -27.006 -2.858 288 2HB GLU 36 HB2 GLU 36 4.851 -27.016 -4.595 289 1HG GLU 36 HG1 GLU 36 2.278 -26.018 -3.326 290 2HG GLU 36 HG2 GLU 36 3.680 -24.982 -3.424 291 NH1 ARG 37 NH1 ARG 37 5.519 -32.165 -13.561 292 NH2 ARG 37 NH2 ARG 37 7.121 -31.433 -12.303 293 H ARG 37 HN ARG 37 4.292 -28.699 -6.142 294 HA ARG 37 HA ARG 37 2.158 -28.709 -7.905 295 1HB ARG 37 HB1 ARG 37 4.579 -28.673 -8.404 296 2HB ARG 37 HB2 ARG 37 4.711 -30.327 -7.847 297 1HG ARG 37 HG1 ARG 37 3.183 -30.981 -9.773 298 2HG ARG 37 HG2 ARG 37 3.389 -29.343 -10.382 299 1HD ARG 37 HD1 ARG 37 5.827 -29.683 -10.437 300 2HD ARG 37 HD2 ARG 37 5.631 -31.284 -9.740 301 HE ARG 37 HE ARG 37 4.036 -31.142 -12.075 302 1HH1 ARG 37 HH12 ARG 37 4.568 -32.261 -13.802 303 2HH1 ARG 37 HH11 ARG 37 6.263 -32.524 -14.113 304 1HH2 ARG 37 HH22 ARG 37 7.453 -30.917 -11.512 305 2HH2 ARG 37 HH21 ARG 37 7.761 -31.839 -12.982 306 H ALA 38 HN ALA 38 3.491 -31.759 -6.341 307 HA ALA 38 HA ALA 38 1.042 -33.111 -7.035 308 1HB ALA 38 HB2 ALA 38 3.544 -34.093 -5.790 309 2HB ALA 38 HB3 ALA 38 2.104 -35.092 -6.083 310 3HB ALA 38 HB1 ALA 38 2.867 -34.253 -7.438 311 H ALA 39 HN ALA 39 1.614 -31.284 -4.073 312 HA ALA 39 HA ALA 39 -0.762 -32.240 -2.945 313 1HB ALA 39 HB1 ALA 39 0.072 -29.350 -3.312 314 2HB ALA 39 HB2 ALA 39 -1.191 -29.919 -2.217 315 3HB ALA 39 HB3 ALA 39 0.485 -30.393 -1.953 316 NH1 ARG 40 NH1 ARG 40 -0.702 -23.685 -6.128 317 NH2 ARG 40 NH2 ARG 40 -2.420 -24.264 -7.373 318 H ARG 40 HN ARG 40 -0.447 -30.000 -5.725 319 HA ARG 40 HA ARG 40 -3.224 -29.990 -6.405 320 1HB ARG 40 HB1 ARG 40 -0.856 -29.465 -8.208 321 2HB ARG 40 HB2 ARG 40 -2.522 -29.021 -8.550 322 1HG ARG 40 HG1 ARG 40 -2.528 -27.450 -6.655 323 2HG ARG 40 HG2 ARG 40 -0.915 -27.953 -6.193 324 1HD ARG 40 HD1 ARG 40 -0.097 -27.166 -8.439 325 2HD ARG 40 HD2 ARG 40 -1.680 -26.469 -8.720 326 HE ARG 40 HE ARG 40 0.269 -25.613 -6.611 327 1HH1 ARG 40 HH12 ARG 40 0.203 -23.971 -5.782 328 2HH1 ARG 40 HH11 ARG 40 -1.130 -22.826 -5.899 329 1HH2 ARG 40 HH22 ARG 40 -2.835 -24.947 -7.953 330 2HH2 ARG 40 HH21 ARG 40 -2.856 -23.406 -7.150 331 H ILE 41 HN ILE 41 -0.677 -31.965 -8.130 332 HA ILE 41 HA ILE 41 -2.508 -33.618 -9.399 333 HB ILE 41 HB ILE 41 0.372 -34.455 -8.866 334 1HG1 ILE 41 HG11 ILE 41 -0.007 -33.954 -11.571 335 2HG1 ILE 41 HG12 ILE 41 -0.973 -32.664 -10.826 336 1HG2 ILE 41 HG23 ILE 41 -1.680 -35.613 -10.622 337 2HG2 ILE 41 HG21 ILE 41 0.119 -35.873 -10.590 338 3HG2 ILE 41 HG22 ILE 41 -0.926 -36.385 -9.223 339 1HD1 ILE 41 HD11 ILE 41 1.747 -33.391 -9.905 340 2HD1 ILE 41 HD12 ILE 41 1.487 -32.157 -11.180 341 3HD1 ILE 41 HD13 ILE 41 0.876 -31.930 -9.533 342 H LYS 42 HN LYS 42 -3.890 -34.079 -8.253 343 HA LYS 42 HA LYS 42 -3.737 -36.318 -6.282 344 1HB LYS 42 HB1 LYS 42 -4.669 -33.840 -5.640 345 2HB LYS 42 HB2 LYS 42 -6.159 -34.620 -6.113 346 1HG LYS 42 HG1 LYS 42 -6.280 -35.469 -4.050 347 2HG LYS 42 HG2 LYS 42 -4.966 -36.537 -4.457 348 1HD LYS 42 HD1 LYS 42 -4.512 -33.787 -3.279 349 2HD LYS 42 HD2 LYS 42 -4.796 -35.189 -2.290 350 1HE LYS 42 HE1 LYS 42 -2.475 -34.840 -2.233 351 2HE LYS 42 HE2 LYS 42 -2.710 -36.219 -3.296 352 1HZ LYS 42 HZ1 LYS 42 -2.539 -33.436 -4.346 353 2HZ LYS 42 HZ2 LYS 42 -1.115 -34.372 -4.180 354 3HZ LYS 42 HZ3 LYS 42 -2.307 -34.902 -5.200 355 H ILE 43 HN ILE 43 -3.820 -36.893 -8.953 356 HA ILE 43 HA ILE 43 -6.412 -37.584 -9.922 357 HB ILE 43 HB ILE 43 -3.665 -38.589 -10.742 358 1HG1 ILE 43 HG11 ILE 43 -5.485 -36.613 -12.151 359 2HG1 ILE 43 HG12 ILE 43 -4.241 -36.105 -11.037 360 1HG2 ILE 43 HG23 ILE 43 -6.315 -38.970 -12.196 361 2HG2 ILE 43 HG21 ILE 43 -4.734 -39.401 -12.837 362 3HG2 ILE 43 HG22 ILE 43 -5.367 -40.251 -11.453 363 1HD1 ILE 43 HD11 ILE 43 -2.509 -37.137 -12.508 364 2HD1 ILE 43 HD12 ILE 43 -3.763 -37.579 -13.659 365 3HD1 ILE 43 HD13 ILE 43 -3.437 -35.886 -13.329 366 H GLY 44 HN GLY 44 -4.010 -39.491 -8.128 367 1HA GLY 44 HA1 GLY 44 -6.083 -40.984 -6.847 368 2HA GLY 44 HA2 GLY 44 -5.239 -41.980 -8.012 369 HA PRO 45 HA PRO 45 -2.935 -41.739 -3.650 370 1HB PRO 45 HB1 PRO 45 -3.963 -44.598 -3.716 371 2HB PRO 45 HB2 PRO 45 -3.562 -43.576 -2.322 372 1HG PRO 45 HG1 PRO 45 -6.096 -43.775 -3.003 373 2HG PRO 45 HG2 PRO 45 -5.450 -42.148 -2.697 374 1HD PRO 45 HD1 PRO 45 -5.899 -43.539 -5.358 375 2HD PRO 45 HD2 PRO 45 -6.335 -41.889 -4.860 376 H LYS 46 HN LYS 46 -3.094 -44.408 -5.947 377 HA LYS 46 HA LYS 46 -0.388 -45.268 -5.807 378 1HB LYS 46 HB1 LYS 46 -2.479 -46.497 -6.656 379 2HB LYS 46 HB2 LYS 46 -2.288 -45.607 -8.151 380 1HG LYS 46 HG1 LYS 46 -0.003 -46.631 -8.401 381 2HG LYS 46 HG2 LYS 46 -0.291 -47.557 -6.943 382 1HD LYS 46 HD1 LYS 46 -2.257 -48.628 -8.008 383 2HD LYS 46 HD2 LYS 46 -1.962 -47.733 -9.475 384 1HE LYS 46 HE1 LYS 46 -0.193 -49.881 -8.273 385 2HE LYS 46 HE2 LYS 46 -1.186 -50.022 -9.717 386 1HZ LYS 46 HZ3 LYS 46 0.153 -48.079 -10.576 387 2HZ LYS 46 HZ1 LYS 46 1.261 -48.338 -9.292 388 3HZ LYS 46 HZ2 LYS 46 1.025 -49.539 -10.520 389 H CYS 47 HN CYS 47 -1.960 -42.785 -7.734 390 HA CYS 47 HA CYS 47 0.216 -42.214 -9.512 391 1HB CYS 47 HB1 CYS 47 -2.483 -41.306 -9.220 392 2HB CYS 47 HB2 CYS 47 -1.481 -39.887 -9.093 393 H VAL 48 HN VAL 48 -0.984 -40.168 -6.703 394 HA VAL 48 HA VAL 48 1.225 -38.779 -6.440 395 HB VAL 48 HB VAL 48 0.403 -39.381 -3.687 396 1HG1 VAL 48 HG11 VAL 48 1.405 -37.187 -4.636 397 2HG1 VAL 48 HG12 VAL 48 -0.067 -37.076 -5.613 398 3HG1 VAL 48 HG13 VAL 48 -0.154 -36.904 -3.854 399 1HG2 VAL 48 HG22 VAL 48 -1.586 -40.161 -4.517 400 2HG2 VAL 48 HG23 VAL 48 -1.812 -38.629 -3.664 401 3HG2 VAL 48 HG21 VAL 48 -1.881 -38.681 -5.428 402 H LYS 49 HN LYS 49 0.906 -42.019 -4.942 403 HA LYS 49 HA LYS 49 3.421 -42.240 -3.727 404 1HB LYS 49 HB1 LYS 49 1.591 -43.926 -3.616 405 2HB LYS 49 HB2 LYS 49 1.969 -44.417 -5.251 406 1HG LYS 49 HG1 LYS 49 4.371 -44.940 -4.336 407 2HG LYS 49 HG2 LYS 49 3.642 -44.781 -2.748 408 1HD LYS 49 HD1 LYS 49 2.094 -46.584 -3.200 409 2HD LYS 49 HD2 LYS 49 2.569 -46.638 -4.890 410 1HE LYS 49 HE1 LYS 49 4.956 -47.158 -3.976 411 2HE LYS 49 HE2 LYS 49 4.128 -47.525 -2.461 412 1HZ LYS 49 HZ2 LYS 49 2.671 -49.036 -3.693 413 2HZ LYS 49 HZ3 LYS 49 3.461 -48.686 -5.169 414 3HZ LYS 49 HZ1 LYS 49 4.288 -49.497 -3.904 415 H ALA 50 HN ALA 50 2.774 -43.347 -7.099 416 HA ALA 50 HA ALA 50 5.392 -43.776 -8.059 417 1HB ALA 50 HB1 ALA 50 3.273 -44.344 -9.210 418 2HB ALA 50 HB2 ALA 50 2.966 -42.646 -9.505 419 3HB ALA 50 HB3 ALA 50 4.330 -43.448 -10.278 420 H PHE 51 HN PHE 51 3.478 -40.761 -8.213 421 HA PHE 51 HA PHE 51 5.355 -39.001 -9.286 422 1HB PHE 51 HB1 PHE 51 2.811 -38.711 -8.677 423 2HB PHE 51 HB2 PHE 51 3.397 -38.147 -7.134 424 HD1 PHE 51 HD1 PHE 51 5.387 -36.208 -7.399 425 HD2 PHE 51 HD2 PHE 51 2.272 -36.981 -10.204 426 HE1 PHE 51 HE1 PHE 51 5.840 -34.092 -8.539 427 HE2 PHE 51 HE2 PHE 51 2.628 -34.908 -11.213 428 HZ PHE 51 HZ PHE 51 4.533 -33.446 -10.517 429 H LYS 52 HN LYS 52 4.714 -39.467 -5.727 430 HA LYS 52 HA LYS 52 6.771 -37.763 -4.912 431 1HB LYS 52 HB1 LYS 52 5.170 -39.894 -3.551 432 2HB LYS 52 HB2 LYS 52 6.577 -39.269 -2.718 433 1HG LYS 52 HG1 LYS 52 4.803 -37.167 -3.851 434 2HG LYS 52 HG2 LYS 52 4.037 -38.168 -2.645 435 1HD LYS 52 HD1 LYS 52 6.742 -36.923 -2.086 436 2HD LYS 52 HD2 LYS 52 5.275 -35.985 -1.898 437 1HE LYS 52 HE1 LYS 52 4.400 -37.586 -0.275 438 2HE LYS 52 HE2 LYS 52 5.807 -38.621 -0.490 439 1HZ LYS 52 HZ3 LYS 52 6.012 -35.731 0.424 440 2HZ LYS 52 HZ1 LYS 52 5.949 -37.090 1.454 441 3HZ LYS 52 HZ2 LYS 52 7.282 -36.882 0.420 442 H ASP 53 HN ASP 53 6.995 -41.323 -5.480 443 HA ASP 53 HA ASP 53 9.673 -41.572 -4.507 444 1HB ASP 53 HB1 ASP 53 8.240 -43.247 -6.600 445 2HB ASP 53 HB2 ASP 53 9.737 -43.683 -5.796 446 H CYS 54 HN CYS 54 8.550 -41.202 -7.903 447 HA CYS 54 HA CYS 54 11.095 -40.629 -8.975 448 1HB CYS 54 HB1 CYS 54 8.298 -40.163 -9.870 449 2HB CYS 54 HB2 CYS 54 9.612 -39.459 -10.767 450 H CYS 55 HN CYS 55 8.724 -38.231 -7.657 451 HA CYS 55 HA CYS 55 10.281 -35.931 -8.037 452 1HB CYS 55 HB1 CYS 55 8.098 -35.565 -7.484 453 2HB CYS 55 HB2 CYS 55 8.098 -36.720 -6.192 454 OH TYR 56 OH TYR 56 8.696 -36.760 0.577 455 H TYR 56 HN TYR 56 10.442 -38.174 -5.184 456 HA TYR 56 HA TYR 56 12.648 -36.859 -4.049 457 1HB TYR 56 HB1 TYR 56 11.801 -39.734 -3.787 458 2HB TYR 56 HB2 TYR 56 13.191 -39.085 -2.934 459 HD1 TYR 56 HD1 TYR 56 12.484 -36.548 -1.835 460 HD2 TYR 56 HD2 TYR 56 9.917 -39.887 -2.390 461 HE1 TYR 56 HE1 TYR 56 10.946 -35.642 -0.170 462 HE2 TYR 56 HE2 TYR 56 8.404 -38.994 -0.671 463 HH TYR 56 HH TYR 56 9.069 -35.943 0.931 464 H ILE 57 HN ILE 57 12.925 -39.494 -6.650 465 HA ILE 57 HA ILE 57 15.741 -38.950 -6.544 466 HB ILE 57 HB ILE 57 16.124 -40.085 -8.651 467 1HG1 ILE 57 HG11 ILE 57 14.533 -41.807 -9.374 468 2HG1 ILE 57 HG12 ILE 57 13.282 -41.023 -8.431 469 1HG2 ILE 57 HG21 ILE 57 16.529 -41.096 -6.496 470 2HG2 ILE 57 HG22 ILE 57 14.841 -41.580 -6.356 471 3HG2 ILE 57 HG23 ILE 57 15.873 -42.311 -7.581 472 1HD1 ILE 57 HD13 ILE 57 14.712 -39.749 -10.786 473 2HD1 ILE 57 HD11 ILE 57 13.117 -40.508 -10.835 474 3HD1 ILE 57 HD12 ILE 57 13.365 -39.086 -9.835 475 H ALA 58 HN ALA 58 13.256 -37.339 -8.487 476 HA ALA 58 HA ALA 58 14.929 -35.638 -9.995 477 1HB ALA 58 HB3 ALA 58 12.531 -35.806 -10.320 478 2HB ALA 58 HB1 ALA 58 12.247 -35.047 -8.759 479 3HB ALA 58 HB2 ALA 58 13.028 -34.142 -10.053 480 H ASN 59 HN ASN 59 13.702 -35.166 -6.655 481 HA ASN 59 HA ASN 59 15.148 -32.826 -6.043 482 1HB ASN 59 HB1 ASN 59 13.257 -34.084 -4.722 483 2HB ASN 59 HB2 ASN 59 14.576 -34.950 -3.957 484 1HD2 ASN 59 HD21 ASN 59 15.285 -32.329 -1.812 485 2HD2 ASN 59 HD22 ASN 59 16.204 -33.502 -2.700 486 H GLN 60 HN GLN 60 16.212 -36.244 -5.547 487 HA GLN 60 HA GLN 60 18.808 -35.601 -4.662 488 1HB GLN 60 HB1 GLN 60 17.906 -38.043 -6.197 489 2HB GLN 60 HB2 GLN 60 19.479 -37.871 -5.450 490 1HG GLN 60 HG1 GLN 60 16.814 -37.938 -3.982 491 2HG GLN 60 HG2 GLN 60 18.004 -39.221 -4.027 492 1HE2 GLN 60 HE21 GLN 60 20.159 -37.156 -1.805 493 2HE2 GLN 60 HE22 GLN 60 20.448 -37.868 -3.371 494 H VAL 61 HN VAL 61 17.753 -36.052 -8.084 495 HA VAL 61 HA VAL 61 20.228 -35.400 -9.258 496 HB VAL 61 HB VAL 61 17.427 -34.919 -10.297 497 1HG1 VAL 61 HG13 VAL 61 20.018 -34.848 -11.893 498 2HG1 VAL 61 HG11 VAL 61 18.396 -34.821 -12.575 499 3HG1 VAL 61 HG12 VAL 61 18.958 -33.473 -11.608 500 1HG2 VAL 61 HG23 VAL 61 19.441 -37.123 -10.887 501 2HG2 VAL 61 HG21 VAL 61 17.960 -37.292 -9.946 502 3HG2 VAL 61 HG22 VAL 61 17.872 -36.945 -11.666 503 NH1 ARG 62 NH1 ARG 62 13.824 -27.834 -11.695 504 NH2 ARG 62 NH2 ARG 62 13.155 -27.656 -9.607 505 H ARG 62 HN ARG 62 17.629 -33.042 -8.349 506 HA ARG 62 HA ARG 62 19.207 -30.762 -8.900 507 1HB ARG 62 HB1 ARG 62 16.789 -31.152 -7.162 508 2HB ARG 62 HB2 ARG 62 17.632 -29.610 -7.196 509 1HG ARG 62 HG1 ARG 62 17.396 -29.633 -9.723 510 2HG ARG 62 HG2 ARG 62 16.359 -31.041 -9.550 511 1HD ARG 62 HD1 ARG 62 14.722 -29.754 -8.302 512 2HD ARG 62 HD2 ARG 62 15.796 -28.347 -8.268 513 HE ARG 62 HE ARG 62 15.509 -29.157 -10.955 514 1HH1 ARG 62 HH12 ARG 62 14.450 -28.224 -12.350 515 2HH1 ARG 62 HH11 ARG 62 13.060 -27.253 -12.014 516 1HH2 ARG 62 HH22 ARG 62 13.329 -27.853 -8.655 517 2HH2 ARG 62 HH21 ARG 62 12.326 -27.165 -9.912 518 H ALA 63 HN ALA 63 19.068 -32.574 -5.791 519 HA ALA 63 HA ALA 63 20.982 -30.868 -4.531 520 1HB ALA 63 HB2 ALA 63 19.463 -32.274 -3.245 521 2HB ALA 63 HB3 ALA 63 20.193 -33.731 -3.909 522 3HB ALA 63 HB1 ALA 63 21.129 -32.681 -2.845 523 H GLU 64 HN GLU 64 21.535 -34.097 -6.124 524 HA GLU 64 HA GLU 64 24.386 -33.898 -5.563 525 1HB GLU 64 HB1 GLU 64 22.697 -35.997 -6.924 526 2HB GLU 64 HB2 GLU 64 24.432 -36.149 -6.703 527 1HG GLU 64 HG1 GLU 64 24.198 -36.139 -4.266 528 2HG GLU 64 HG2 GLU 64 22.493 -35.733 -4.377 529 H GLN 65 HN GLN 65 24.307 -31.825 -6.854 530 HA GLN 65 HA GLN 65 24.933 -32.242 -9.702 531 1HB GLN 65 HB1 GLN 65 24.681 -29.727 -8.021 532 2HB GLN 65 HB2 GLN 65 25.151 -29.714 -9.706 533 1HG GLN 65 HG1 GLN 65 22.472 -30.784 -8.717 534 2HG GLN 65 HG2 GLN 65 22.729 -29.163 -9.327 535 1HE2 GLN 65 HE21 GLN 65 22.022 -31.968 -12.007 536 2HE2 GLN 65 HE22 GLN 65 21.639 -32.195 -10.318 Start of MODEL 7 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 17.411 -42.373 -6.733 2 2H MET 1 HT3 MET 1 17.418 -42.066 -5.049 3 3H MET 1 HT2 MET 1 18.784 -41.725 -5.993 4 HA MET 1 HA MET 1 19.175 -43.990 -6.469 5 1HB MET 1 HB1 MET 1 18.869 -43.212 -3.567 6 2HB MET 1 HB2 MET 1 19.604 -44.725 -4.040 7 1HG MET 1 HG1 MET 1 20.633 -42.005 -4.929 8 2HG MET 1 HG2 MET 1 21.240 -42.885 -3.553 9 1HE MET 1 HE1 MET 1 22.311 -45.425 -3.817 10 2HE MET 1 HE2 MET 1 23.670 -45.363 -4.925 11 3HE MET 1 HE3 MET 1 23.457 -44.067 -3.760 12 H LEU 2 HN LEU 2 16.084 -43.747 -4.653 13 HA LEU 2 HA LEU 2 15.846 -46.587 -4.391 14 1HB LEU 2 HB1 LEU 2 13.773 -44.463 -3.927 15 2HB LEU 2 HB2 LEU 2 13.606 -46.135 -3.482 16 HG LEU 2 HG LEU 2 15.772 -44.334 -2.356 17 1HD1 LEU 2 HD11 LEU 2 13.536 -43.505 -1.717 18 2HD1 LEU 2 HD12 LEU 2 13.088 -45.113 -1.160 19 3HD1 LEU 2 HD13 LEU 2 14.354 -44.215 -0.331 20 1HD2 LEU 2 HD21 LEU 2 14.726 -47.030 -1.411 21 2HD2 LEU 2 HD22 LEU 2 16.293 -46.755 -2.164 22 3HD2 LEU 2 HD23 LEU 2 15.942 -46.056 -0.594 23 H GLN 3 HN GLN 3 16.315 -46.850 -6.665 24 HA GLN 3 HA GLN 3 14.398 -46.938 -8.684 25 1HB GLN 3 HB1 GLN 3 15.694 -48.740 -9.681 26 2HB GLN 3 HB2 GLN 3 16.703 -47.428 -9.118 27 1HG GLN 3 HG1 GLN 3 17.392 -48.752 -7.143 28 2HG GLN 3 HG2 GLN 3 16.355 -50.081 -7.640 29 1HE2 GLN 3 HE21 GLN 3 18.617 -51.040 -10.256 30 2HE2 GLN 3 HE22 GLN 3 16.928 -51.074 -9.852 31 H LYS 4 HN LYS 4 14.567 -49.023 -5.898 32 HA LYS 4 HA LYS 4 12.655 -50.980 -6.542 33 1HB LYS 4 HB1 LYS 4 14.160 -50.959 -4.555 34 2HB LYS 4 HB2 LYS 4 13.210 -49.664 -3.855 35 1HG LYS 4 HG1 LYS 4 11.233 -51.178 -3.757 36 2HG LYS 4 HG2 LYS 4 12.190 -52.461 -4.479 37 1HD LYS 4 HD1 LYS 4 13.728 -52.404 -2.538 38 2HD LYS 4 HD2 LYS 4 12.780 -51.106 -1.823 39 1HE LYS 4 HE1 LYS 4 10.809 -52.598 -1.725 40 2HE LYS 4 HE2 LYS 4 11.761 -53.899 -2.441 41 1HZ LYS 4 HZ2 LYS 4 13.312 -53.728 -0.598 42 2HZ LYS 4 HZ3 LYS 4 12.400 -52.482 0.088 43 3HZ LYS 4 HZ1 LYS 4 11.753 -54.044 -0.015 44 H LYS 5 HN LYS 5 12.079 -47.709 -5.140 45 HA LYS 5 HA LYS 5 9.242 -47.991 -5.243 46 1HB LYS 5 HB1 LYS 5 11.083 -45.801 -4.495 47 2HB LYS 5 HB2 LYS 5 9.535 -45.286 -5.115 48 1HG LYS 5 HG1 LYS 5 9.500 -47.437 -3.021 49 2HG LYS 5 HG2 LYS 5 9.953 -45.832 -2.509 50 1HD LYS 5 HD1 LYS 5 7.578 -46.199 -2.120 51 2HD LYS 5 HD2 LYS 5 7.804 -44.931 -3.297 52 1HE LYS 5 HE1 LYS 5 7.238 -46.545 -5.111 53 2HE LYS 5 HE2 LYS 5 6.998 -47.785 -3.886 54 1HZ LYS 5 HZ3 LYS 5 5.486 -45.160 -3.904 55 2HZ LYS 5 HZ1 LYS 5 4.928 -46.575 -4.680 56 3HZ LYS 5 HZ2 LYS 5 5.178 -46.575 -2.988 57 H ILE 6 HN ILE 6 11.529 -46.389 -7.494 58 HA ILE 6 HA ILE 6 9.605 -45.738 -9.470 59 HB ILE 6 HB ILE 6 12.416 -46.714 -10.094 60 1HG1 ILE 6 HG11 ILE 6 11.418 -43.858 -9.891 61 2HG1 ILE 6 HG12 ILE 6 12.308 -44.669 -8.622 62 1HG2 ILE 6 HG22 ILE 6 10.428 -45.166 -11.854 63 2HG2 ILE 6 HG23 ILE 6 12.083 -45.539 -12.300 64 3HG2 ILE 6 HG21 ILE 6 10.934 -46.827 -12.102 65 1HD1 ILE 6 HD12 ILE 6 14.267 -44.913 -10.138 66 2HD1 ILE 6 HD13 ILE 6 13.394 -44.062 -11.408 67 3HD1 ILE 6 HD11 ILE 6 13.806 -43.229 -9.928 68 H GLU 7 HN GLU 7 11.399 -48.928 -9.211 69 HA GLU 7 HA GLU 7 9.629 -50.087 -11.134 70 1HB GLU 7 HB1 GLU 7 11.714 -51.305 -9.351 71 2HB GLU 7 HB2 GLU 7 10.688 -52.290 -10.375 72 1HG GLU 7 HG1 GLU 7 12.556 -50.093 -11.375 73 2HG GLU 7 HG2 GLU 7 12.898 -51.810 -11.431 74 H GLU 8 HN GLU 8 8.994 -49.895 -7.574 75 HA GLU 8 HA GLU 8 6.829 -51.712 -7.792 76 1HB GLU 8 HB1 GLU 8 7.660 -50.607 -5.659 77 2HB GLU 8 HB2 GLU 8 6.843 -49.140 -6.155 78 1HG GLU 8 HG1 GLU 8 4.645 -50.537 -6.192 79 2HG GLU 8 HG2 GLU 8 5.567 -51.825 -5.448 80 H GLU 9 HN GLU 9 6.971 -48.273 -8.637 81 HA GLU 9 HA GLU 9 4.174 -48.183 -9.680 82 1HB GLU 9 HB1 GLU 9 6.421 -46.173 -9.729 83 2HB GLU 9 HB2 GLU 9 4.719 -45.874 -9.991 84 1HG GLU 9 HG1 GLU 9 6.089 -46.654 -7.376 85 2HG GLU 9 HG2 GLU 9 5.380 -45.116 -7.733 86 H ALA 10 HN ALA 10 7.358 -48.031 -11.195 87 HA ALA 10 HA ALA 10 6.046 -48.975 -13.630 88 1HB ALA 10 HB2 ALA 10 7.703 -47.203 -13.823 89 2HB ALA 10 HB3 ALA 10 8.925 -48.205 -13.037 90 3HB ALA 10 HB1 ALA 10 8.332 -48.640 -14.638 91 H ALA 11 HN ALA 11 6.637 -51.164 -11.267 92 HA ALA 11 HA ALA 11 7.820 -53.283 -12.339 93 1HB ALA 11 HB2 ALA 11 6.676 -53.260 -10.190 94 2HB ALA 11 HB3 ALA 11 5.103 -53.241 -10.988 95 3HB ALA 11 HB1 ALA 11 6.135 -54.658 -11.132 96 H LYS 12 HN LYS 12 7.305 -52.338 -14.604 97 HA LYS 12 HA LYS 12 6.938 -52.802 -16.762 98 1HB LYS 12 HB1 LYS 12 6.370 -55.555 -15.746 99 2HB LYS 12 HB2 LYS 12 6.286 -55.158 -17.449 100 1HG LYS 12 HG1 LYS 12 8.473 -55.951 -17.215 101 2HG LYS 12 HG2 LYS 12 8.693 -54.223 -17.182 102 1HD LYS 12 HD1 LYS 12 8.747 -54.428 -14.604 103 2HD LYS 12 HD2 LYS 12 8.802 -56.156 -14.847 104 1HE LYS 12 HE1 LYS 12 11.040 -55.611 -14.589 105 2HE LYS 12 HE2 LYS 12 10.879 -55.649 -16.340 106 1HZ LYS 12 HZ2 LYS 12 10.365 -53.184 -16.140 107 2HZ LYS 12 HZ3 LYS 12 10.949 -53.209 -14.540 108 3HZ LYS 12 HZ1 LYS 12 11.964 -53.628 -15.826 109 OH TYR 13 OH TYR 13 2.434 -50.487 -9.792 110 H TYR 13 HN TYR 13 4.159 -54.007 -14.983 111 HA TYR 13 HA TYR 13 2.058 -53.524 -14.907 112 1HB TYR 13 HB1 TYR 13 3.169 -50.946 -15.826 113 2HB TYR 13 HB2 TYR 13 1.438 -51.093 -15.787 114 HD1 TYR 13 HD1 TYR 13 0.260 -51.440 -13.612 115 HD2 TYR 13 HD2 TYR 13 4.475 -51.151 -13.743 116 HE1 TYR 13 HE1 TYR 13 0.295 -50.970 -11.190 117 HE2 TYR 13 HE2 TYR 13 4.508 -50.716 -11.354 118 HH TYR 13 HH TYR 13 3.369 -50.560 -9.469 119 H LYS 14 HN LYS 14 0.514 -54.418 -15.734 120 HA LYS 14 HA LYS 14 -0.689 -53.977 -18.286 121 1HB LYS 14 HB1 LYS 14 -2.009 -54.395 -15.568 122 2HB LYS 14 HB2 LYS 14 -2.856 -54.443 -17.094 123 1HG LYS 14 HG1 LYS 14 -0.607 -56.351 -16.389 124 2HG LYS 14 HG2 LYS 14 -2.300 -56.694 -16.099 125 1HD LYS 14 HD1 LYS 14 -2.755 -56.470 -18.534 126 2HD LYS 14 HD2 LYS 14 -1.054 -56.194 -18.830 127 1HE LYS 14 HE1 LYS 14 -2.152 -58.718 -17.568 128 2HE LYS 14 HE2 LYS 14 -1.856 -58.529 -19.291 129 1HZ LYS 14 HZ2 LYS 14 0.452 -57.986 -18.787 130 2HZ LYS 14 HZ3 LYS 14 0.165 -58.227 -17.141 131 3HZ LYS 14 HZ1 LYS 14 0.056 -59.530 -18.214 132 OH TYR 15 OH TYR 15 -5.870 -53.832 -12.785 133 H TYR 15 HN TYR 15 -0.947 -52.079 -15.286 134 HA TYR 15 HA TYR 15 -2.463 -49.960 -16.538 135 1HB TYR 15 HB1 TYR 15 -1.246 -49.930 -13.768 136 2HB TYR 15 HB2 TYR 15 -2.543 -48.944 -14.372 137 HD1 TYR 15 HD1 TYR 15 -2.003 -51.624 -12.304 138 HD2 TYR 15 HD2 TYR 15 -4.510 -50.567 -15.569 139 HE1 TYR 15 HE1 TYR 15 -3.645 -53.327 -11.612 140 HE2 TYR 15 HE2 TYR 15 -6.148 -52.247 -14.850 141 HH TYR 15 HH TYR 15 -6.628 -53.836 -13.370 142 H ALA 16 HN ALA 16 -0.906 -49.900 -18.136 143 HA ALA 16 HA ALA 16 1.662 -48.805 -18.062 144 1HB ALA 16 HB3 ALA 16 -0.389 -48.818 -20.301 145 2HB ALA 16 HB1 ALA 16 1.333 -48.506 -20.504 146 3HB ALA 16 HB2 ALA 16 0.785 -50.080 -19.941 147 H MET 17 HN MET 17 -1.393 -47.096 -18.402 148 HA MET 17 HA MET 17 -0.368 -44.482 -18.849 149 1HB MET 17 HB1 MET 17 -3.010 -45.405 -17.684 150 2HB MET 17 HB2 MET 17 -2.635 -43.736 -18.067 151 1HG MET 17 HG1 MET 17 -2.323 -44.330 -20.446 152 2HG MET 17 HG2 MET 17 -2.656 -46.012 -20.085 153 1HE MET 17 HE3 MET 17 -4.215 -42.360 -19.768 154 2HE MET 17 HE1 MET 17 -4.121 -42.860 -21.471 155 3HE MET 17 HE2 MET 17 -5.678 -42.662 -20.687 156 H LEU 18 HN LEU 18 -0.939 -46.283 -15.842 157 HA LEU 18 HA LEU 18 -0.373 -44.098 -14.103 158 1HB LEU 18 HB1 LEU 18 -0.655 -47.097 -13.752 159 2HB LEU 18 HB2 LEU 18 -0.397 -45.997 -12.422 160 HG LEU 18 HG LEU 18 -2.666 -46.671 -12.554 161 1HD1 LEU 18 HD12 LEU 18 -2.197 -44.438 -11.697 162 2HD1 LEU 18 HD13 LEU 18 -2.325 -43.748 -13.308 163 3HD1 LEU 18 HD11 LEU 18 -3.756 -44.407 -12.514 164 1HD2 LEU 18 HD22 LEU 18 -3.170 -47.057 -14.904 165 2HD2 LEU 18 HD23 LEU 18 -4.329 -45.965 -14.171 166 3HD2 LEU 18 HD21 LEU 18 -3.073 -45.328 -15.213 167 H LYS 19 HN LYS 19 1.630 -47.118 -14.707 168 HA LYS 19 HA LYS 19 4.040 -46.036 -14.085 169 1HB LYS 19 HB1 LYS 19 3.802 -48.277 -15.025 170 2HB LYS 19 HB2 LYS 19 3.156 -47.659 -16.528 171 1HG LYS 19 HG1 LYS 19 5.418 -46.789 -17.131 172 2HG LYS 19 HG2 LYS 19 6.043 -47.396 -15.623 173 1HD LYS 19 HD1 LYS 19 6.669 -48.981 -17.265 174 2HD LYS 19 HD2 LYS 19 5.320 -49.727 -16.431 175 1HE LYS 19 HE1 LYS 19 3.802 -49.024 -18.258 176 2HE LYS 19 HE2 LYS 19 5.158 -48.272 -19.089 177 1HZ LYS 19 HZ1 LYS 19 6.252 -50.437 -19.131 178 2HZ LYS 19 HZ2 LYS 19 4.941 -51.206 -18.345 179 3HZ LYS 19 HZ3 LYS 19 4.748 -50.530 -19.898 180 H LYS 20 HN LYS 20 2.489 -45.115 -17.305 181 HA LYS 20 HA LYS 20 4.440 -43.201 -17.955 182 1HB LYS 20 HB1 LYS 20 2.747 -43.983 -19.520 183 2HB LYS 20 HB2 LYS 20 1.481 -43.256 -18.568 184 1HG LYS 20 HG1 LYS 20 1.865 -41.991 -20.603 185 2HG LYS 20 HG2 LYS 20 2.195 -41.021 -19.183 186 1HD LYS 20 HD1 LYS 20 4.557 -41.127 -19.532 187 2HD LYS 20 HD2 LYS 20 4.403 -42.393 -20.736 188 1HE LYS 20 HE1 LYS 20 4.933 -40.253 -21.775 189 2HE LYS 20 HE2 LYS 20 3.347 -40.812 -22.286 190 1HZ LYS 20 HZ2 LYS 20 3.817 -38.791 -20.067 191 2HZ LYS 20 HZ3 LYS 20 3.337 -38.443 -21.665 192 3HZ LYS 20 HZ1 LYS 20 2.341 -39.348 -20.647 193 H CYS 21 HN CYS 21 1.507 -42.644 -15.794 194 HA CYS 21 HA CYS 21 2.057 -40.017 -15.087 195 1HB CYS 21 HB1 CYS 21 0.305 -41.950 -14.270 196 2HB CYS 21 HB2 CYS 21 1.292 -41.812 -12.840 197 H CYS 22 HN CYS 22 3.575 -42.924 -13.580 198 HA CYS 22 HA CYS 22 5.768 -41.778 -12.153 199 1HB CYS 22 HB1 CYS 22 5.117 -44.277 -12.640 200 2HB CYS 22 HB2 CYS 22 6.458 -44.083 -13.705 201 OH TYR 23 OH TYR 23 9.670 -47.173 -16.451 202 H TYR 23 HN TYR 23 5.815 -42.395 -15.570 203 HA TYR 23 HA TYR 23 8.379 -41.151 -15.707 204 1HB TYR 23 HB1 TYR 23 6.502 -42.059 -17.840 205 2HB TYR 23 HB2 TYR 23 8.184 -41.617 -18.083 206 HD1 TYR 23 HD1 TYR 23 8.063 -43.328 -14.737 207 HD2 TYR 23 HD2 TYR 23 7.548 -44.108 -18.929 208 HE1 TYR 23 HE1 TYR 23 9.290 -45.403 -14.543 209 HE2 TYR 23 HE2 TYR 23 8.699 -46.290 -18.638 210 HH TYR 23 HH TYR 23 9.985 -47.289 -15.553 211 H ASP 24 HN ASP 24 5.222 -39.795 -16.465 212 HA ASP 24 HA ASP 24 6.074 -37.154 -17.088 213 1HB ASP 24 HB1 ASP 24 3.568 -37.984 -15.596 214 2HB ASP 24 HB2 ASP 24 3.851 -36.424 -16.339 215 H GLY 25 HN GLY 25 5.656 -38.641 -13.849 216 1HA GLY 25 HA1 GLY 25 6.574 -36.325 -12.414 217 2HA GLY 25 HA2 GLY 25 6.508 -37.956 -11.792 218 H ALA 26 HN ALA 26 8.320 -39.217 -13.538 219 HA ALA 26 HA ALA 26 10.854 -38.650 -12.513 220 1HB ALA 26 HB3 ALA 26 10.279 -40.815 -13.490 221 2HB ALA 26 HB1 ALA 26 10.188 -40.084 -15.093 222 3HB ALA 26 HB2 ALA 26 11.729 -40.164 -14.247 223 OH TYR 27 OH TYR 27 12.400 -38.896 -21.213 224 H TYR 27 HN TYR 27 9.552 -37.496 -15.681 225 HA TYR 27 HA TYR 27 11.783 -35.744 -16.099 226 1HB TYR 27 HB1 TYR 27 8.973 -35.775 -17.197 227 2HB TYR 27 HB2 TYR 27 10.098 -34.501 -17.611 228 HD1 TYR 27 HD1 TYR 27 9.364 -38.097 -18.009 229 HD2 TYR 27 HD2 TYR 27 12.127 -35.011 -18.957 230 HE1 TYR 27 HE1 TYR 27 10.407 -39.535 -19.724 231 HE2 TYR 27 HE2 TYR 27 13.162 -36.456 -20.646 232 HH TYR 27 HH TYR 27 13.128 -38.443 -21.640 233 NH1 ARG 28 NH1 ARG 28 12.849 -29.514 -7.378 234 NH2 ARG 28 NH2 ARG 28 12.491 -28.723 -9.399 235 H ARG 28 HN ARG 28 11.920 -35.141 -13.733 236 HA ARG 28 HA ARG 28 10.232 -33.251 -12.538 237 1HB ARG 28 HB1 ARG 28 12.009 -34.695 -11.539 238 2HB ARG 28 HB2 ARG 28 13.201 -33.550 -12.085 239 1HG ARG 28 HG1 ARG 28 10.992 -32.954 -10.081 240 2HG ARG 28 HG2 ARG 28 12.609 -33.442 -9.649 241 1HD ARG 28 HD1 ARG 28 13.435 -31.332 -10.833 242 2HD ARG 28 HD2 ARG 28 11.746 -30.848 -10.915 243 HE ARG 28 HE ARG 28 12.491 -31.583 -8.217 244 1HH1 ARG 28 HH12 ARG 28 12.951 -30.339 -6.788 245 2HH1 ARG 28 HH11 ARG 28 12.894 -28.586 -6.993 246 1HH2 ARG 28 HH22 ARG 28 12.229 -28.907 -10.349 247 2HH2 ARG 28 HH21 ARG 28 12.622 -27.781 -9.051 248 H ASN 29 HN ASN 29 9.669 -31.439 -13.338 249 HA ASN 29 HA ASN 29 11.062 -29.667 -15.030 250 1HB ASN 29 HB1 ASN 29 8.614 -29.910 -14.917 251 2HB ASN 29 HB2 ASN 29 8.601 -29.328 -13.267 252 1HD2 ASN 29 HD21 ASN 29 9.690 -26.375 -15.775 253 2HD2 ASN 29 HD22 ASN 29 9.881 -27.963 -16.448 254 H ASP 30 HN ASP 30 12.095 -27.768 -14.693 255 HA ASP 30 HA ASP 30 13.544 -27.305 -12.305 256 1HB ASP 30 HB1 ASP 30 13.377 -25.818 -14.941 257 2HB ASP 30 HB2 ASP 30 14.457 -25.339 -13.641 258 H ASP 31 HN ASP 31 11.281 -27.160 -11.273 259 HA ASP 31 HA ASP 31 10.751 -24.340 -10.517 260 1HB ASP 31 HB1 ASP 31 8.998 -26.294 -11.105 261 2HB ASP 31 HB2 ASP 31 9.290 -26.801 -9.459 262 H GLU 32 HN GLU 32 10.133 -24.474 -7.910 263 HA GLU 32 HA GLU 32 12.565 -24.901 -6.424 264 1HB GLU 32 HB1 GLU 32 10.863 -23.189 -5.853 265 2HB GLU 32 HB2 GLU 32 9.719 -24.446 -5.438 266 1HG GLU 32 HG1 GLU 32 11.352 -25.208 -3.607 267 2HG GLU 32 HG2 GLU 32 12.340 -23.810 -3.997 268 H THR 33 HN THR 33 9.401 -26.540 -5.972 269 HA THR 33 HA THR 33 10.713 -29.135 -6.119 270 HB THR 33 HB THR 33 10.823 -28.864 -3.791 271 HG1 THR 33 HG1 THR 33 9.567 -30.668 -3.197 272 1HG2 THR 33 HG23 THR 33 9.043 -27.203 -3.346 273 2HG2 THR 33 HG21 THR 33 7.836 -28.425 -3.742 274 3HG2 THR 33 HG22 THR 33 8.867 -28.634 -2.333 275 H CYS 34 HN CYS 34 9.575 -30.648 -7.088 276 HA CYS 34 HA CYS 34 7.097 -30.145 -8.389 277 1HB CYS 34 HB1 CYS 34 7.206 -32.462 -9.129 278 2HB CYS 34 HB2 CYS 34 8.725 -31.635 -9.369 279 H GLU 35 HN GLU 35 7.801 -31.438 -5.240 280 HA GLU 35 HA GLU 35 5.404 -32.965 -4.915 281 1HB GLU 35 HB1 GLU 35 7.389 -32.017 -2.846 282 2HB GLU 35 HB2 GLU 35 6.057 -33.124 -2.531 283 1HG GLU 35 HG1 GLU 35 7.032 -34.624 -4.394 284 2HG GLU 35 HG2 GLU 35 8.443 -33.588 -4.378 285 H GLU 36 HN GLU 36 6.014 -29.576 -4.315 286 HA GLU 36 HA GLU 36 3.630 -28.988 -2.850 287 1HB GLU 36 HB1 GLU 36 5.438 -27.431 -2.877 288 2HB GLU 36 HB2 GLU 36 5.501 -27.383 -4.620 289 1HG GLU 36 HG1 GLU 36 4.635 -25.284 -3.711 290 2HG GLU 36 HG2 GLU 36 3.407 -26.056 -4.681 291 NH1 ARG 37 NH1 ARG 37 5.255 -28.231 -13.133 292 NH2 ARG 37 NH2 ARG 37 6.416 -26.672 -12.174 293 H ARG 37 HN ARG 37 4.346 -28.660 -6.297 294 HA ARG 37 HA ARG 37 1.731 -28.285 -7.277 295 1HB ARG 37 HB1 ARG 37 4.292 -29.331 -8.515 296 2HB ARG 37 HB2 ARG 37 2.810 -29.197 -9.440 297 1HG ARG 37 HG1 ARG 37 2.751 -26.854 -9.303 298 2HG ARG 37 HG2 ARG 37 3.812 -26.793 -7.913 299 1HD ARG 37 HD1 ARG 37 4.955 -25.949 -9.876 300 2HD ARG 37 HD2 ARG 37 5.722 -27.428 -9.324 301 HE ARG 37 HE ARG 37 3.808 -28.116 -11.295 302 1HH1 ARG 37 HH12 ARG 37 4.516 -28.886 -13.136 303 2HH1 ARG 37 HH11 ARG 37 5.871 -28.097 -13.898 304 1HH2 ARG 37 HH22 ARG 37 6.562 -26.001 -11.431 305 2HH2 ARG 37 HH21 ARG 37 7.025 -26.699 -12.985 306 H ALA 38 HN ALA 38 3.566 -31.440 -7.058 307 HA ALA 38 HA ALA 38 1.211 -32.896 -7.608 308 1HB ALA 38 HB1 ALA 38 3.911 -33.809 -6.781 309 2HB ALA 38 HB2 ALA 38 2.552 -34.863 -7.245 310 3HB ALA 38 HB3 ALA 38 3.171 -33.645 -8.393 311 H ALA 39 HN ALA 39 2.199 -31.782 -4.354 312 HA ALA 39 HA ALA 39 0.138 -33.207 -3.096 313 1HB ALA 39 HB2 ALA 39 1.644 -31.705 -1.881 314 2HB ALA 39 HB3 ALA 39 0.947 -30.308 -2.693 315 3HB ALA 39 HB1 ALA 39 -0.033 -31.258 -1.574 316 NH1 ARG 40 NH1 ARG 40 -0.207 -24.096 -7.016 317 NH2 ARG 40 NH2 ARG 40 0.842 -24.437 -5.132 318 H ARG 40 HN ARG 40 -0.149 -30.153 -4.956 319 HA ARG 40 HA ARG 40 -3.025 -30.179 -4.947 320 1HB ARG 40 HB1 ARG 40 -0.993 -28.613 -6.530 321 2HB ARG 40 HB2 ARG 40 -2.722 -28.381 -6.718 322 1HG ARG 40 HG1 ARG 40 -2.879 -27.150 -4.835 323 2HG ARG 40 HG2 ARG 40 -2.005 -28.326 -3.883 324 1HD ARG 40 HD1 ARG 40 -0.820 -26.254 -3.774 325 2HD ARG 40 HD2 ARG 40 0.139 -27.375 -4.731 326 HE ARG 40 HE ARG 40 -1.455 -25.998 -6.557 327 1HH1 ARG 40 HH12 ARG 40 -0.893 -24.368 -7.674 328 2HH1 ARG 40 HH11 ARG 40 0.354 -23.293 -7.139 329 1HH2 ARG 40 HH22 ARG 40 1.003 -24.986 -4.294 330 2HH2 ARG 40 HH21 ARG 40 1.359 -23.617 -5.310 331 H ILE 41 HN ILE 41 -0.816 -31.605 -7.328 332 HA ILE 41 HA ILE 41 -2.767 -32.382 -9.161 333 HB ILE 41 HB ILE 41 -0.127 -33.899 -8.785 334 1HG1 ILE 41 HG11 ILE 41 -1.110 -31.452 -10.397 335 2HG1 ILE 41 HG12 ILE 41 0.155 -31.613 -9.176 336 1HG2 ILE 41 HG21 ILE 41 -2.217 -33.917 -10.949 337 2HG2 ILE 41 HG22 ILE 41 -0.598 -34.680 -11.012 338 3HG2 ILE 41 HG23 ILE 41 -1.821 -35.257 -9.876 339 1HD1 ILE 41 HD13 ILE 41 0.691 -32.735 -11.789 340 2HD1 ILE 41 HD11 ILE 41 1.000 -31.050 -11.346 341 3HD1 ILE 41 HD12 ILE 41 1.740 -32.342 -10.393 342 H LYS 42 HN LYS 42 -4.346 -32.922 -8.333 343 HA LYS 42 HA LYS 42 -4.747 -35.436 -6.777 344 1HB LYS 42 HB1 LYS 42 -6.599 -33.063 -6.934 345 2HB LYS 42 HB2 LYS 42 -6.919 -34.521 -6.031 346 1HG LYS 42 HG1 LYS 42 -4.468 -32.849 -5.460 347 2HG LYS 42 HG2 LYS 42 -6.017 -32.415 -4.807 348 1HD LYS 42 HD1 LYS 42 -4.872 -33.508 -3.088 349 2HD LYS 42 HD2 LYS 42 -6.093 -34.620 -3.635 350 1HE LYS 42 HE1 LYS 42 -3.990 -35.706 -2.982 351 2HE LYS 42 HE2 LYS 42 -4.447 -36.057 -4.637 352 1HZ LYS 42 HZ1 LYS 42 -2.617 -33.748 -4.111 353 2HZ LYS 42 HZ2 LYS 42 -2.012 -35.343 -4.102 354 3HZ LYS 42 HZ3 LYS 42 -2.725 -34.758 -5.501 355 H ILE 43 HN ILE 43 -4.570 -35.421 -9.733 356 HA ILE 43 HA ILE 43 -7.162 -35.764 -10.856 357 HB ILE 43 HB ILE 43 -6.061 -36.587 -12.882 358 1HG1 ILE 43 HG11 ILE 43 -3.407 -36.249 -11.457 359 2HG1 ILE 43 HG12 ILE 43 -4.136 -37.799 -11.796 360 1HG2 ILE 43 HG21 ILE 43 -6.416 -34.207 -12.496 361 2HG2 ILE 43 HG22 ILE 43 -4.873 -34.078 -11.662 362 3HG2 ILE 43 HG23 ILE 43 -4.922 -34.433 -13.383 363 1HD1 ILE 43 HD13 ILE 43 -4.012 -37.355 -14.222 364 2HD1 ILE 43 HD11 ILE 43 -3.230 -35.808 -13.904 365 3HD1 ILE 43 HD12 ILE 43 -2.431 -37.305 -13.454 366 H GLY 44 HN GLY 44 -5.004 -38.113 -9.479 367 1HA GLY 44 HA1 GLY 44 -7.149 -39.973 -9.081 368 2HA GLY 44 HA2 GLY 44 -6.065 -40.540 -10.332 369 HA PRO 45 HA PRO 45 -4.311 -40.807 -5.750 370 1HB PRO 45 HB1 PRO 45 -5.174 -43.180 -4.696 371 2HB PRO 45 HB2 PRO 45 -6.041 -41.648 -4.529 372 1HG PRO 45 HG1 PRO 45 -6.503 -43.847 -6.574 373 2HG PRO 45 HG2 PRO 45 -7.683 -43.022 -5.544 374 1HD PRO 45 HD1 PRO 45 -7.330 -42.221 -8.075 375 2HD PRO 45 HD2 PRO 45 -7.589 -41.025 -6.786 376 H LYS 46 HN LYS 46 -4.550 -43.804 -7.717 377 HA LYS 46 HA LYS 46 -1.902 -44.700 -7.102 378 1HB LYS 46 HB1 LYS 46 -4.070 -45.908 -8.203 379 2HB LYS 46 HB2 LYS 46 -3.175 -45.572 -9.661 380 1HG LYS 46 HG1 LYS 46 -2.148 -47.173 -7.293 381 2HG LYS 46 HG2 LYS 46 -2.800 -47.853 -8.763 382 1HD LYS 46 HD1 LYS 46 -0.895 -46.804 -10.029 383 2HD LYS 46 HD2 LYS 46 -0.210 -46.289 -8.501 384 1HE LYS 46 HE1 LYS 46 -0.150 -48.689 -7.774 385 2HE LYS 46 HE2 LYS 46 -0.692 -49.146 -9.387 386 1HZ LYS 46 HZ1 LYS 46 1.236 -47.850 -10.252 387 2HZ LYS 46 HZ2 LYS 46 1.847 -47.671 -8.674 388 3HZ LYS 46 HZ3 LYS 46 1.703 -49.257 -9.424 389 H CYS 47 HN CYS 47 -3.189 -42.486 -9.507 390 HA CYS 47 HA CYS 47 -0.861 -42.318 -11.171 391 1HB CYS 47 HB1 CYS 47 -3.401 -41.363 -11.465 392 2HB CYS 47 HB2 CYS 47 -2.601 -39.906 -10.951 393 H VAL 48 HN VAL 48 -1.983 -39.751 -8.717 394 HA VAL 48 HA VAL 48 0.420 -38.782 -8.434 395 HB VAL 48 HB VAL 48 -0.591 -38.720 -5.718 396 1HG1 VAL 48 HG13 VAL 48 0.834 -36.931 -6.973 397 2HG1 VAL 48 HG11 VAL 48 -0.549 -36.788 -8.069 398 3HG1 VAL 48 HG12 VAL 48 -0.685 -36.252 -6.397 399 1HG2 VAL 48 HG21 VAL 48 -2.633 -39.357 -6.493 400 2HG2 VAL 48 HG22 VAL 48 -2.660 -37.665 -5.964 401 3HG2 VAL 48 HG23 VAL 48 -2.684 -38.054 -7.684 402 H LYS 49 HN LYS 49 -0.512 -41.731 -6.581 403 HA LYS 49 HA LYS 49 1.878 -42.009 -5.154 404 1HB LYS 49 HB1 LYS 49 -0.161 -43.483 -5.011 405 2HB LYS 49 HB2 LYS 49 0.376 -44.294 -6.466 406 1HG LYS 49 HG1 LYS 49 2.379 -45.125 -5.320 407 2HG LYS 49 HG2 LYS 49 1.970 -44.213 -3.880 408 1HD LYS 49 HD1 LYS 49 -0.043 -45.547 -3.538 409 2HD LYS 49 HD2 LYS 49 0.192 -46.380 -5.059 410 1HE LYS 49 HE1 LYS 49 2.244 -46.536 -2.840 411 2HE LYS 49 HE2 LYS 49 0.848 -47.606 -2.880 412 1HZ LYS 49 HZ2 LYS 49 2.832 -47.282 -5.126 413 2HZ LYS 49 HZ3 LYS 49 2.869 -48.590 -4.093 414 3HZ LYS 49 HZ1 LYS 49 1.500 -48.334 -5.091 415 H ALA 50 HN ALA 50 1.423 -43.363 -8.467 416 HA ALA 50 HA ALA 50 4.168 -43.968 -8.995 417 1HB ALA 50 HB1 ALA 50 2.266 -44.865 -10.270 418 2HB ALA 50 HB2 ALA 50 1.916 -43.269 -10.905 419 3HB ALA 50 HB3 ALA 50 3.395 -44.115 -11.368 420 H PHE 51 HN PHE 51 2.368 -41.047 -9.928 421 HA PHE 51 HA PHE 51 4.478 -39.613 -11.102 422 1HB PHE 51 HB1 PHE 51 2.057 -39.201 -11.319 423 2HB PHE 51 HB2 PHE 51 1.982 -38.696 -9.660 424 HD1 PHE 51 HD1 PHE 51 2.309 -36.310 -9.108 425 HD2 PHE 51 HD2 PHE 51 3.578 -37.847 -12.891 426 HE1 PHE 51 HE1 PHE 51 1.981 -34.172 -10.085 427 HE2 PHE 51 HE2 PHE 51 3.612 -35.569 -13.794 428 HZ PHE 51 HZ PHE 51 2.857 -33.698 -12.388 429 H LYS 52 HN LYS 52 3.245 -39.253 -7.678 430 HA LYS 52 HA LYS 52 5.120 -37.177 -7.222 431 1HB LYS 52 HB1 LYS 52 2.893 -37.315 -6.091 432 2HB LYS 52 HB2 LYS 52 3.514 -38.597 -5.094 433 1HG LYS 52 HG1 LYS 52 5.419 -36.476 -4.889 434 2HG LYS 52 HG2 LYS 52 3.859 -35.697 -4.886 435 1HD LYS 52 HD1 LYS 52 4.550 -36.064 -2.620 436 2HD LYS 52 HD2 LYS 52 3.157 -37.061 -2.961 437 1HE LYS 52 HE1 LYS 52 4.835 -38.198 -1.557 438 2HE LYS 52 HE2 LYS 52 4.540 -39.064 -3.052 439 1HZ LYS 52 HZ3 LYS 52 6.854 -37.146 -2.624 440 2HZ LYS 52 HZ1 LYS 52 6.908 -38.863 -2.532 441 3HZ LYS 52 HZ2 LYS 52 6.549 -38.119 -4.005 442 H ASP 53 HN ASP 53 5.109 -40.807 -6.610 443 HA ASP 53 HA ASP 53 7.495 -40.645 -5.010 444 1HB ASP 53 HB1 ASP 53 6.104 -42.980 -6.286 445 2HB ASP 53 HB2 ASP 53 7.629 -43.149 -5.436 446 H CYS 54 HN CYS 54 7.089 -41.570 -8.523 447 HA CYS 54 HA CYS 54 9.804 -41.557 -9.151 448 1HB CYS 54 HB1 CYS 54 7.274 -41.138 -10.607 449 2HB CYS 54 HB2 CYS 54 8.661 -40.439 -11.384 450 H CYS 55 HN CYS 55 7.648 -38.632 -9.078 451 HA CYS 55 HA CYS 55 9.647 -36.762 -9.643 452 1HB CYS 55 HB1 CYS 55 7.881 -35.504 -9.738 453 2HB CYS 55 HB2 CYS 55 6.915 -36.655 -8.866 454 OH TYR 56 OH TYR 56 13.348 -38.609 0.400 455 H TYR 56 HN TYR 56 8.745 -37.887 -6.315 456 HA TYR 56 HA TYR 56 10.759 -36.519 -4.964 457 1HB TYR 56 HB1 TYR 56 8.955 -37.674 -3.817 458 2HB TYR 56 HB2 TYR 56 9.547 -39.231 -4.362 459 HD1 TYR 56 HD1 TYR 56 10.766 -40.448 -2.766 460 HD2 TYR 56 HD2 TYR 56 10.874 -36.212 -2.495 461 HE1 TYR 56 HE1 TYR 56 12.326 -40.598 -0.860 462 HE2 TYR 56 HE2 TYR 56 12.421 -36.372 -0.608 463 HH TYR 56 HH TYR 56 13.559 -37.736 0.734 464 H ILE 57 HN ILE 57 11.107 -39.796 -6.463 465 HA ILE 57 HA ILE 57 13.859 -40.018 -5.767 466 HB ILE 57 HB ILE 57 12.690 -41.439 -8.139 467 1HG1 ILE 57 HG11 ILE 57 11.115 -42.086 -6.556 468 2HG1 ILE 57 HG12 ILE 57 12.277 -43.393 -6.562 469 1HG2 ILE 57 HG21 ILE 57 14.937 -42.149 -6.222 470 2HG2 ILE 57 HG22 ILE 57 14.347 -43.200 -7.502 471 3HG2 ILE 57 HG23 ILE 57 15.113 -41.672 -7.907 472 1HD1 ILE 57 HD13 ILE 57 13.290 -42.435 -4.470 473 2HD1 ILE 57 HD11 ILE 57 12.039 -41.204 -4.495 474 3HD1 ILE 57 HD12 ILE 57 11.594 -42.892 -4.274 475 H ALA 58 HN ALA 58 12.364 -38.834 -8.714 476 HA ALA 58 HA ALA 58 14.676 -38.014 -10.167 477 1HB ALA 58 HB2 ALA 58 12.495 -38.114 -11.131 478 2HB ALA 58 HB3 ALA 58 11.957 -36.767 -10.135 479 3HB ALA 58 HB1 ALA 58 13.218 -36.529 -11.351 480 H ASN 59 HN ASN 59 12.774 -36.043 -7.812 481 HA ASN 59 HA ASN 59 14.560 -33.855 -7.695 482 1HB ASN 59 HB1 ASN 59 12.161 -34.025 -6.805 483 2HB ASN 59 HB2 ASN 59 12.821 -34.845 -5.406 484 1HD2 ASN 59 HD21 ASN 59 13.676 -32.326 -3.672 485 2HD2 ASN 59 HD22 ASN 59 15.013 -33.047 -4.515 486 H GLN 60 HN GLN 60 14.505 -36.794 -5.620 487 HA GLN 60 HA GLN 60 16.784 -36.323 -4.064 488 1HB GLN 60 HB1 GLN 60 15.093 -38.144 -3.840 489 2HB GLN 60 HB2 GLN 60 15.770 -38.913 -5.254 490 1HG GLN 60 HG1 GLN 60 17.900 -39.322 -4.020 491 2HG GLN 60 HG2 GLN 60 17.193 -38.591 -2.587 492 1HE2 GLN 60 HE21 GLN 60 15.160 -41.457 -1.933 493 2HE2 GLN 60 HE22 GLN 60 15.341 -39.773 -1.563 494 H VAL 61 HN VAL 61 16.715 -37.981 -7.275 495 HA VAL 61 HA VAL 61 19.520 -38.070 -7.630 496 HB VAL 61 HB VAL 61 17.302 -38.062 -9.681 497 1HG1 VAL 61 HG13 VAL 61 20.234 -38.746 -10.146 498 2HG1 VAL 61 HG11 VAL 61 18.927 -39.012 -11.295 499 3HG1 VAL 61 HG12 VAL 61 19.384 -37.378 -10.855 500 1HG2 VAL 61 HG22 VAL 61 19.020 -40.304 -8.546 501 2HG2 VAL 61 HG23 VAL 61 17.313 -40.015 -8.194 502 3HG2 VAL 61 HG21 VAL 61 17.809 -40.491 -9.813 503 NH1 ARG 62 NH1 ARG 62 17.152 -29.344 -13.057 504 NH2 ARG 62 NH2 ARG 62 15.339 -30.429 -13.659 505 H ARG 62 HN ARG 62 17.281 -35.459 -8.854 506 HA ARG 62 HA ARG 62 19.425 -33.856 -9.790 507 1HB ARG 62 HB1 ARG 62 16.566 -33.161 -9.155 508 2HB ARG 62 HB2 ARG 62 17.712 -31.981 -9.766 509 1HG ARG 62 HG1 ARG 62 18.141 -33.568 -11.726 510 2HG ARG 62 HG2 ARG 62 16.798 -34.532 -11.139 511 1HD ARG 62 HD1 ARG 62 15.976 -33.127 -12.906 512 2HD ARG 62 HD2 ARG 62 15.330 -32.497 -11.386 513 HE ARG 62 HE ARG 62 17.744 -31.171 -11.817 514 1HH1 ARG 62 HH12 ARG 62 18.007 -29.313 -12.568 515 2HH1 ARG 62 HH11 ARG 62 16.834 -28.552 -13.604 516 1HH2 ARG 62 HH22 ARG 62 14.724 -31.210 -13.600 517 2HH2 ARG 62 HH21 ARG 62 15.107 -29.656 -14.260 518 H ALA 63 HN ALA 63 18.094 -33.893 -6.450 519 HA ALA 63 HA ALA 63 19.820 -31.796 -5.577 520 1HB ALA 63 HB3 ALA 63 17.907 -32.553 -4.254 521 2HB ALA 63 HB1 ALA 63 18.644 -34.138 -4.041 522 3HB ALA 63 HB2 ALA 63 19.388 -32.713 -3.313 523 H GLU 64 HN GLU 64 20.376 -35.289 -5.827 524 HA GLU 64 HA GLU 64 23.048 -35.244 -4.763 525 1HB GLU 64 HB1 GLU 64 21.462 -37.152 -4.719 526 2HB GLU 64 HB2 GLU 64 21.561 -37.273 -6.458 527 1HG GLU 64 HG1 GLU 64 23.979 -37.928 -6.269 528 2HG GLU 64 HG2 GLU 64 23.850 -37.826 -4.519 529 H GLN 65 HN GLN 65 21.829 -35.388 -8.177 530 HA GLN 65 HA GLN 65 24.485 -34.374 -9.037 531 1HB GLN 65 HB1 GLN 65 22.774 -36.451 -10.441 532 2HB GLN 65 HB2 GLN 65 24.197 -35.720 -11.141 533 1HG GLN 65 HG1 GLN 65 24.231 -37.489 -8.657 534 2HG GLN 65 HG2 GLN 65 24.599 -38.026 -10.279 535 1HE2 GLN 65 HE21 GLN 65 27.443 -35.878 -8.358 536 2HE2 GLN 65 HE22 GLN 65 25.828 -35.770 -7.710 Start of MODEL 8 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 11.437 -51.288 -0.304 2 2H MET 1 HT1 MET 1 12.254 -51.033 1.162 3 3H MET 1 HT3 MET 1 10.998 -49.995 0.692 4 HA MET 1 HA MET 1 13.108 -48.963 0.341 5 1HB MET 1 HB1 MET 1 13.631 -51.459 -1.287 6 2HB MET 1 HB2 MET 1 14.583 -50.011 -1.490 7 1HG MET 1 HG1 MET 1 14.348 -51.565 1.110 8 2HG MET 1 HG2 MET 1 15.665 -51.696 -0.029 9 1HE MET 1 HE2 MET 1 17.807 -50.407 0.160 10 2HE MET 1 HE3 MET 1 16.955 -49.209 -0.841 11 3HE MET 1 HE1 MET 1 17.868 -48.703 0.572 12 H LEU 2 HN LEU 2 13.562 -47.570 -1.347 13 HA LEU 2 HA LEU 2 11.363 -46.625 -2.826 14 1HB LEU 2 HB1 LEU 2 14.308 -45.934 -2.817 15 2HB LEU 2 HB2 LEU 2 13.199 -45.164 -3.923 16 HG LEU 2 HG LEU 2 11.859 -44.387 -1.944 17 1HD1 LEU 2 HD13 LEU 2 14.309 -45.184 -0.337 18 2HD1 LEU 2 HD11 LEU 2 12.992 -44.165 0.234 19 3HD1 LEU 2 HD12 LEU 2 12.685 -45.847 -0.151 20 1HD2 LEU 2 HD23 LEU 2 13.354 -42.909 -3.182 21 2HD2 LEU 2 HD21 LEU 2 13.418 -42.517 -1.469 22 3HD2 LEU 2 HD22 LEU 2 14.727 -43.433 -2.208 23 H GLN 3 HN GLN 3 14.261 -48.308 -3.899 24 HA GLN 3 HA GLN 3 13.856 -48.372 -6.673 25 1HB GLN 3 HB1 GLN 3 15.281 -50.386 -4.898 26 2HB GLN 3 HB2 GLN 3 15.437 -50.288 -6.636 27 1HG GLN 3 HG1 GLN 3 17.376 -49.228 -5.875 28 2HG GLN 3 HG2 GLN 3 16.326 -47.882 -6.254 29 1HE2 GLN 3 HE21 GLN 3 17.814 -47.060 -3.028 30 2HE2 GLN 3 HE22 GLN 3 18.344 -47.205 -4.674 31 H LYS 4 HN LYS 4 12.870 -50.730 -4.233 32 HA LYS 4 HA LYS 4 11.532 -52.566 -5.924 33 1HB LYS 4 HB1 LYS 4 11.155 -51.928 -2.985 34 2HB LYS 4 HB2 LYS 4 10.338 -53.241 -3.799 35 1HG LYS 4 HG1 LYS 4 13.351 -52.997 -3.573 36 2HG LYS 4 HG2 LYS 4 12.352 -53.927 -2.485 37 1HD LYS 4 HD1 LYS 4 12.564 -54.507 -5.456 38 2HD LYS 4 HD2 LYS 4 13.574 -55.238 -4.245 39 1HE LYS 4 HE1 LYS 4 12.057 -56.896 -4.426 40 2HE LYS 4 HE2 LYS 4 11.238 -55.955 -3.192 41 1HZ LYS 4 HZ2 LYS 4 10.701 -55.552 -6.144 42 2HZ LYS 4 HZ3 LYS 4 9.872 -56.664 -5.162 43 3HZ LYS 4 HZ1 LYS 4 9.701 -55.035 -4.821 44 H LYS 5 HN LYS 5 10.219 -49.758 -4.103 45 HA LYS 5 HA LYS 5 7.582 -50.055 -5.095 46 1HB LYS 5 HB1 LYS 5 8.978 -47.673 -3.919 47 2HB LYS 5 HB2 LYS 5 7.272 -47.700 -4.333 48 1HG LYS 5 HG1 LYS 5 6.995 -49.676 -2.766 49 2HG LYS 5 HG2 LYS 5 8.682 -49.495 -2.314 50 1HD LYS 5 HD1 LYS 5 7.520 -48.362 -0.612 51 2HD LYS 5 HD2 LYS 5 8.115 -47.090 -1.655 52 1HE LYS 5 HE1 LYS 5 5.594 -47.627 -2.731 53 2HE LYS 5 HE2 LYS 5 5.346 -47.896 -1.012 54 1HZ LYS 5 HZ2 LYS 5 6.413 -45.733 -0.601 55 2HZ LYS 5 HZ3 LYS 5 6.591 -45.456 -2.280 56 3HZ LYS 5 HZ1 LYS 5 5.034 -45.552 -1.573 57 H ILE 6 HN ILE 6 10.257 -48.048 -6.524 58 HA ILE 6 HA ILE 6 8.747 -47.153 -8.765 59 HB ILE 6 HB ILE 6 11.651 -47.984 -9.015 60 1HG1 ILE 6 HG11 ILE 6 10.808 -45.163 -8.370 61 2HG1 ILE 6 HG12 ILE 6 11.166 -46.311 -7.090 62 1HG2 ILE 6 HG22 ILE 6 10.527 -47.489 -11.196 63 2HG2 ILE 6 HG23 ILE 6 10.001 -45.927 -10.620 64 3HG2 ILE 6 HG21 ILE 6 11.698 -46.246 -10.848 65 1HD1 ILE 6 HD11 ILE 6 13.420 -46.705 -8.078 66 2HD1 ILE 6 HD12 ILE 6 13.097 -45.461 -9.282 67 3HD1 ILE 6 HD13 ILE 6 13.157 -45.050 -7.573 68 H GLU 7 HN GLU 7 10.667 -50.177 -8.399 69 HA GLU 7 HA GLU 7 9.986 -51.457 -10.793 70 1HB GLU 7 HB1 GLU 7 11.718 -52.187 -9.210 71 2HB GLU 7 HB2 GLU 7 10.489 -52.576 -8.028 72 1HG GLU 7 HG1 GLU 7 9.626 -54.365 -9.695 73 2HG GLU 7 HG2 GLU 7 11.098 -54.067 -10.606 74 H GLU 8 HN GLU 8 8.166 -51.837 -7.652 75 HA GLU 8 HA GLU 8 6.121 -53.405 -8.870 76 1HB GLU 8 HB1 GLU 8 6.197 -51.798 -6.287 77 2HB GLU 8 HB2 GLU 8 4.830 -52.799 -6.731 78 1HG GLU 8 HG1 GLU 8 5.890 -54.749 -6.186 79 2HG GLU 8 HG2 GLU 8 7.409 -54.260 -6.900 80 H GLU 9 HN GLU 9 6.269 -49.841 -8.611 81 HA GLU 9 HA GLU 9 3.595 -49.612 -9.881 82 1HB GLU 9 HB1 GLU 9 5.514 -47.463 -9.028 83 2HB GLU 9 HB2 GLU 9 3.853 -47.284 -9.561 84 1HG GLU 9 HG1 GLU 9 4.778 -48.607 -6.977 85 2HG GLU 9 HG2 GLU 9 3.984 -47.064 -7.120 86 H ALA 10 HN ALA 10 6.987 -48.970 -11.051 87 HA ALA 10 HA ALA 10 5.658 -49.104 -13.656 88 1HB ALA 10 HB2 ALA 10 8.445 -48.128 -12.812 89 2HB ALA 10 HB3 ALA 10 7.895 -48.104 -14.479 90 3HB ALA 10 HB1 ALA 10 7.090 -47.106 -13.273 91 H ALA 11 HN ALA 11 6.268 -51.709 -12.243 92 HA ALA 11 HA ALA 11 8.084 -53.253 -13.311 93 1HB ALA 11 HB1 ALA 11 6.415 -53.997 -11.718 94 2HB ALA 11 HB2 ALA 11 5.159 -53.983 -12.952 95 3HB ALA 11 HB3 ALA 11 6.479 -55.147 -13.057 96 H LYS 12 HN LYS 12 5.056 -53.049 -15.097 97 HA LYS 12 HA LYS 12 6.394 -52.984 -17.672 98 1HB LYS 12 HB1 LYS 12 6.350 -55.417 -17.207 99 2HB LYS 12 HB2 LYS 12 4.609 -55.377 -17.035 100 1HG LYS 12 HG1 LYS 12 4.436 -54.626 -19.431 101 2HG LYS 12 HG2 LYS 12 6.185 -54.737 -19.562 102 1HD LYS 12 HD1 LYS 12 6.063 -57.153 -19.020 103 2HD LYS 12 HD2 LYS 12 4.319 -57.048 -18.915 104 1HE LYS 12 HE1 LYS 12 5.930 -56.441 -21.414 105 2HE LYS 12 HE2 LYS 12 5.180 -57.994 -21.070 106 1HZ LYS 12 HZ3 LYS 12 3.037 -56.867 -20.908 107 2HZ LYS 12 HZ1 LYS 12 3.767 -55.394 -21.292 108 3HZ LYS 12 HZ2 LYS 12 3.726 -56.635 -22.438 109 OH TYR 13 OH TYR 13 1.848 -51.559 -10.466 110 H TYR 13 HN TYR 13 3.281 -53.835 -16.327 111 HA TYR 13 HA TYR 13 1.369 -52.950 -16.061 112 1HB TYR 13 HB1 TYR 13 2.967 -50.504 -16.401 113 2HB TYR 13 HB2 TYR 13 1.237 -50.318 -16.396 114 HD1 TYR 13 HD1 TYR 13 -0.085 -51.011 -14.444 115 HD2 TYR 13 HD2 TYR 13 4.147 -51.334 -14.363 116 HE1 TYR 13 HE1 TYR 13 -0.167 -51.308 -12.007 117 HE2 TYR 13 HE2 TYR 13 4.074 -51.534 -11.958 118 HH TYR 13 HH TYR 13 2.748 -51.761 -10.094 119 H LYS 14 HN LYS 14 -0.198 -53.561 -17.111 120 HA LYS 14 HA LYS 14 -1.406 -52.419 -19.405 121 1HB LYS 14 HB1 LYS 14 -2.112 -54.375 -17.836 122 2HB LYS 14 HB2 LYS 14 -2.802 -53.158 -16.800 123 1HG LYS 14 HG1 LYS 14 -3.665 -53.630 -19.660 124 2HG LYS 14 HG2 LYS 14 -4.392 -54.419 -18.287 125 1HD LYS 14 HD1 LYS 14 -4.812 -51.928 -17.470 126 2HD LYS 14 HD2 LYS 14 -4.577 -51.548 -19.157 127 1HE LYS 14 HE1 LYS 14 -6.890 -51.783 -18.982 128 2HE LYS 14 HE2 LYS 14 -6.376 -53.325 -19.652 129 1HZ LYS 14 HZ2 LYS 14 -6.303 -54.170 -17.327 130 2HZ LYS 14 HZ3 LYS 14 -7.027 -52.744 -16.755 131 3HZ LYS 14 HZ1 LYS 14 -7.858 -53.758 -17.836 132 OH TYR 15 OH TYR 15 -7.413 -51.865 -15.505 133 H TYR 15 HN TYR 15 -1.509 -51.286 -15.993 134 HA TYR 15 HA TYR 15 -2.626 -48.737 -16.751 135 1HB TYR 15 HB1 TYR 15 -1.835 -49.752 -14.018 136 2HB TYR 15 HB2 TYR 15 -2.587 -48.202 -14.342 137 HD1 TYR 15 HD1 TYR 15 -3.230 -51.729 -13.890 138 HD2 TYR 15 HD2 TYR 15 -4.820 -48.196 -15.625 139 HE1 TYR 15 HE1 TYR 15 -5.384 -52.869 -14.262 140 HE2 TYR 15 HE2 TYR 15 -6.973 -49.327 -15.963 141 HH TYR 15 HH TYR 15 -8.095 -51.226 -15.742 142 H ALA 16 HN ALA 16 -1.001 -48.584 -18.184 143 HA ALA 16 HA ALA 16 1.605 -47.628 -17.831 144 1HB ALA 16 HB3 ALA 16 -0.423 -47.017 -20.013 145 2HB ALA 16 HB1 ALA 16 1.314 -46.738 -20.126 146 3HB ALA 16 HB2 ALA 16 0.694 -48.378 -19.975 147 H MET 17 HN MET 17 -1.425 -45.895 -17.590 148 HA MET 17 HA MET 17 -0.463 -43.242 -17.333 149 1HB MET 17 HB1 MET 17 -2.955 -44.567 -16.211 150 2HB MET 17 HB2 MET 17 -2.656 -42.842 -16.189 151 1HG MET 17 HG1 MET 17 -2.636 -42.747 -18.626 152 2HG MET 17 HG2 MET 17 -2.818 -44.485 -18.743 153 1HE MET 17 HE1 MET 17 -5.028 -45.544 -19.222 154 2HE MET 17 HE2 MET 17 -5.081 -45.715 -17.453 155 3HE MET 17 HE3 MET 17 -6.487 -45.147 -18.336 156 H LEU 18 HN LEU 18 -0.607 -45.849 -14.925 157 HA LEU 18 HA LEU 18 -0.044 -44.019 -12.717 158 1HB LEU 18 HB1 LEU 18 -0.337 -47.035 -12.691 159 2HB LEU 18 HB2 LEU 18 -0.248 -45.989 -11.286 160 HG LEU 18 HG LEU 18 -2.478 -45.976 -13.354 161 1HD1 LEU 18 HD12 LEU 18 -2.545 -47.967 -11.916 162 2HD1 LEU 18 HD13 LEU 18 -2.481 -46.943 -10.489 163 3HD1 LEU 18 HD11 LEU 18 -3.881 -46.883 -11.552 164 1HD2 LEU 18 HD21 LEU 18 -2.237 -44.413 -10.780 165 2HD2 LEU 18 HD22 LEU 18 -2.192 -43.727 -12.396 166 3HD2 LEU 18 HD23 LEU 18 -3.674 -44.468 -11.803 167 H LYS 19 HN LYS 19 1.659 -46.811 -14.230 168 HA LYS 19 HA LYS 19 4.212 -46.077 -13.409 169 1HB LYS 19 HB1 LYS 19 3.747 -48.023 -14.806 170 2HB LYS 19 HB2 LYS 19 2.953 -47.069 -16.031 171 1HG LYS 19 HG1 LYS 19 5.207 -46.245 -16.797 172 2HG LYS 19 HG2 LYS 19 5.946 -47.352 -15.651 173 1HD LYS 19 HD1 LYS 19 4.612 -49.213 -16.724 174 2HD LYS 19 HD2 LYS 19 4.065 -48.063 -17.929 175 1HE LYS 19 HE1 LYS 19 6.485 -47.740 -18.564 176 2HE LYS 19 HE2 LYS 19 6.877 -49.063 -17.457 177 1HZ LYS 19 HZ3 LYS 19 5.148 -50.460 -18.685 178 2HZ LYS 19 HZ1 LYS 19 5.016 -49.173 -19.770 179 3HZ LYS 19 HZ2 LYS 19 6.488 -49.989 -19.641 180 H LYS 20 HN LYS 20 2.549 -44.422 -16.259 181 HA LYS 20 HA LYS 20 4.574 -42.475 -16.550 182 1HB LYS 20 HB1 LYS 20 2.561 -43.063 -18.089 183 2HB LYS 20 HB2 LYS 20 1.659 -41.923 -17.127 184 1HG LYS 20 HG1 LYS 20 4.049 -40.553 -17.822 185 2HG LYS 20 HG2 LYS 20 3.624 -41.460 -19.248 186 1HD LYS 20 HD1 LYS 20 2.668 -39.283 -19.464 187 2HD LYS 20 HD2 LYS 20 1.365 -40.418 -19.225 188 1HE LYS 20 HE1 LYS 20 1.042 -38.261 -18.026 189 2HE LYS 20 HE2 LYS 20 1.004 -39.654 -16.958 190 1HZ LYS 20 HZ2 LYS 20 3.476 -38.119 -17.478 191 2HZ LYS 20 HZ3 LYS 20 2.477 -37.689 -16.172 192 3HZ LYS 20 HZ1 LYS 20 3.205 -39.250 -16.230 193 H CYS 21 HN CYS 21 1.813 -42.482 -14.182 194 HA CYS 21 HA CYS 21 2.352 -40.008 -13.022 195 1HB CYS 21 HB1 CYS 21 0.515 -41.756 -12.620 196 2HB CYS 21 HB2 CYS 21 1.605 -42.440 -11.434 197 H CYS 22 HN CYS 22 4.014 -43.133 -12.207 198 HA CYS 22 HA CYS 22 6.286 -42.084 -10.785 199 1HB CYS 22 HB1 CYS 22 5.779 -44.534 -11.582 200 2HB CYS 22 HB2 CYS 22 6.934 -44.080 -12.760 201 OH TYR 23 OH TYR 23 9.619 -46.737 -15.986 202 H TYR 23 HN TYR 23 6.025 -42.206 -14.242 203 HA TYR 23 HA TYR 23 8.439 -40.695 -14.394 204 1HB TYR 23 HB1 TYR 23 6.553 -41.434 -16.575 205 2HB TYR 23 HB2 TYR 23 8.212 -40.906 -16.749 206 HD1 TYR 23 HD1 TYR 23 8.396 -43.105 -13.718 207 HD2 TYR 23 HD2 TYR 23 7.491 -43.287 -17.932 208 HE1 TYR 23 HE1 TYR 23 9.507 -45.221 -13.920 209 HE2 TYR 23 HE2 TYR 23 8.524 -45.518 -18.022 210 HH TYR 23 HH TYR 23 9.545 -47.111 -16.864 211 H ASP 24 HN ASP 24 5.133 -39.523 -14.425 212 HA ASP 24 HA ASP 24 5.595 -36.743 -14.594 213 1HB ASP 24 HB1 ASP 24 3.467 -38.394 -13.906 214 2HB ASP 24 HB2 ASP 24 3.737 -37.557 -12.405 215 H GLY 25 HN GLY 25 5.857 -38.756 -11.618 216 1HA GLY 25 HA1 GLY 25 7.050 -36.824 -9.965 217 2HA GLY 25 HA2 GLY 25 7.277 -38.546 -9.790 218 H ALA 26 HN ALA 26 8.742 -39.081 -12.106 219 HA ALA 26 HA ALA 26 11.368 -38.148 -11.557 220 1HB ALA 26 HB2 ALA 26 10.949 -40.287 -12.665 221 2HB ALA 26 HB3 ALA 26 10.302 -39.453 -14.078 222 3HB ALA 26 HB1 ALA 26 12.002 -39.284 -13.655 223 OH TYR 27 OH TYR 27 9.464 -31.546 -20.153 224 H TYR 27 HN TYR 27 9.126 -37.054 -14.162 225 HA TYR 27 HA TYR 27 10.954 -35.092 -15.183 226 1HB TYR 27 HB1 TYR 27 9.106 -36.349 -16.405 227 2HB TYR 27 HB2 TYR 27 7.959 -35.321 -15.583 228 HD1 TYR 27 HD1 TYR 27 11.032 -35.001 -17.763 229 HD2 TYR 27 HD2 TYR 27 7.272 -33.349 -16.667 230 HE1 TYR 27 HE1 TYR 27 11.210 -33.348 -19.581 231 HE2 TYR 27 HE2 TYR 27 7.446 -31.733 -18.490 232 HH TYR 27 HH TYR 27 8.685 -30.987 -20.172 233 NH1 ARG 28 NH1 ARG 28 11.908 -30.071 -5.478 234 NH2 ARG 28 NH2 ARG 28 12.304 -32.213 -5.593 235 H ARG 28 HN ARG 28 11.309 -34.313 -12.807 236 HA ARG 28 HA ARG 28 9.494 -32.281 -11.852 237 1HB ARG 28 HB1 ARG 28 10.949 -33.696 -10.439 238 2HB ARG 28 HB2 ARG 28 12.341 -32.807 -11.030 239 1HG ARG 28 HG1 ARG 28 11.474 -30.726 -10.021 240 2HG ARG 28 HG2 ARG 28 10.022 -31.558 -9.490 241 1HD ARG 28 HD1 ARG 28 11.349 -33.021 -8.064 242 2HD ARG 28 HD2 ARG 28 12.841 -32.278 -8.645 243 HE ARG 28 HE ARG 28 11.359 -30.135 -7.689 244 1HH1 ARG 28 HH12 ARG 28 11.610 -29.240 -5.978 245 2HH1 ARG 28 HH11 ARG 28 12.139 -30.096 -4.517 246 1HH2 ARG 28 HH22 ARG 28 12.302 -33.035 -6.139 247 2HH2 ARG 28 HH21 ARG 28 12.548 -32.230 -4.611 248 H ASN 29 HN ASN 29 9.576 -31.506 -14.180 249 HA ASN 29 HA ASN 29 11.314 -29.102 -14.377 250 1HB ASN 29 HB1 ASN 29 10.050 -30.796 -16.562 251 2HB ASN 29 HB2 ASN 29 10.882 -29.282 -16.867 252 1HD2 ASN 29 HD21 ASN 29 14.076 -30.769 -16.459 253 2HD2 ASN 29 HD22 ASN 29 13.243 -29.247 -16.515 254 H ASP 30 HN ASP 30 7.968 -30.203 -14.679 255 HA ASP 30 HA ASP 30 6.801 -27.775 -15.576 256 1HB ASP 30 HB1 ASP 30 5.403 -29.896 -13.894 257 2HB ASP 30 HB2 ASP 30 4.680 -28.784 -15.048 258 H ASP 31 HN ASP 31 7.519 -28.893 -12.337 259 HA ASP 31 HA ASP 31 6.978 -26.247 -11.227 260 1HB ASP 31 HB1 ASP 31 4.913 -27.720 -10.899 261 2HB ASP 31 HB2 ASP 31 5.908 -28.794 -9.933 262 H GLU 32 HN GLU 32 8.277 -25.765 -9.517 263 HA GLU 32 HA GLU 32 10.790 -27.033 -9.249 264 1HB GLU 32 HB1 GLU 32 10.124 -24.551 -8.948 265 2HB GLU 32 HB2 GLU 32 9.602 -24.996 -7.340 266 1HG GLU 32 HG1 GLU 32 11.831 -24.111 -7.109 267 2HG GLU 32 HG2 GLU 32 12.001 -25.847 -6.918 268 H THR 33 HN THR 33 7.842 -27.427 -7.252 269 HA THR 33 HA THR 33 9.401 -29.168 -5.428 270 HB THR 33 HB THR 33 7.604 -28.643 -3.705 271 HG1 THR 33 HG1 THR 33 6.370 -27.443 -5.560 272 1HG2 THR 33 HG22 THR 33 9.852 -27.669 -3.541 273 2HG2 THR 33 HG23 THR 33 9.337 -26.347 -4.596 274 3HG2 THR 33 HG21 THR 33 8.594 -26.541 -3.014 275 H CYS 34 HN CYS 34 9.025 -31.191 -6.149 276 HA CYS 34 HA CYS 34 6.707 -31.999 -7.498 277 1HB CYS 34 HB1 CYS 34 7.558 -34.240 -7.523 278 2HB CYS 34 HB2 CYS 34 8.718 -33.053 -8.034 279 H GLU 35 HN GLU 35 7.425 -32.374 -4.092 280 HA GLU 35 HA GLU 35 5.209 -34.019 -3.403 281 1HB GLU 35 HB1 GLU 35 7.319 -33.432 -2.032 282 2HB GLU 35 HB2 GLU 35 6.580 -31.890 -1.680 283 1HG GLU 35 HG1 GLU 35 6.099 -33.156 0.249 284 2HG GLU 35 HG2 GLU 35 4.605 -33.297 -0.656 285 H GLU 36 HN GLU 36 5.405 -30.458 -3.618 286 HA GLU 36 HA GLU 36 2.716 -30.005 -2.651 287 1HB GLU 36 HB1 GLU 36 4.849 -28.409 -2.768 288 2HB GLU 36 HB2 GLU 36 4.230 -28.005 -4.342 289 1HG GLU 36 HG1 GLU 36 2.671 -27.706 -1.722 290 2HG GLU 36 HG2 GLU 36 3.531 -26.411 -2.520 291 NH1 ARG 37 NH1 ARG 37 5.262 -33.389 -13.382 292 NH2 ARG 37 NH2 ARG 37 6.827 -32.298 -12.352 293 H ARG 37 HN ARG 37 4.242 -29.982 -5.850 294 HA ARG 37 HA ARG 37 2.068 -29.977 -7.571 295 1HB ARG 37 HB1 ARG 37 4.442 -29.941 -8.184 296 2HB ARG 37 HB2 ARG 37 4.625 -31.569 -7.582 297 1HG ARG 37 HG1 ARG 37 3.135 -32.383 -9.409 298 2HG ARG 37 HG2 ARG 37 3.131 -30.759 -10.086 299 1HD ARG 37 HD1 ARG 37 5.556 -30.863 -10.348 300 2HD ARG 37 HD2 ARG 37 5.609 -32.421 -9.526 301 HE ARG 37 HE ARG 37 3.856 -32.816 -11.643 302 1HH1 ARG 37 HH12 ARG 37 4.364 -33.851 -13.420 303 2HH1 ARG 37 HH11 ARG 37 5.920 -33.456 -14.122 304 1HH2 ARG 37 HH22 ARG 37 7.119 -31.738 -11.597 305 2HH2 ARG 37 HH21 ARG 37 7.444 -32.590 -13.102 306 H ALA 38 HN ALA 38 3.397 -33.035 -6.000 307 HA ALA 38 HA ALA 38 0.997 -34.405 -6.749 308 1HB ALA 38 HB1 ALA 38 3.418 -35.299 -5.305 309 2HB ALA 38 HB2 ALA 38 2.000 -36.333 -5.632 310 3HB ALA 38 HB3 ALA 38 2.816 -35.532 -6.984 311 H ALA 39 HN ALA 39 1.503 -32.576 -3.766 312 HA ALA 39 HA ALA 39 -0.945 -33.467 -2.689 313 1HB ALA 39 HB3 ALA 39 0.461 -31.818 -1.553 314 2HB ALA 39 HB1 ALA 39 0.136 -30.634 -2.819 315 3HB ALA 39 HB2 ALA 39 -1.167 -31.179 -1.763 316 NH1 ARG 40 NH1 ARG 40 2.423 -26.389 -7.155 317 NH2 ARG 40 NH2 ARG 40 1.797 -26.948 -9.146 318 H ARG 40 HN ARG 40 -0.431 -31.290 -5.481 319 HA ARG 40 HA ARG 40 -3.230 -31.083 -6.131 320 1HB ARG 40 HB1 ARG 40 -0.957 -30.869 -8.102 321 2HB ARG 40 HB2 ARG 40 -2.563 -30.175 -8.252 322 1HG ARG 40 HG1 ARG 40 -2.069 -28.539 -6.502 323 2HG ARG 40 HG2 ARG 40 -0.536 -29.319 -6.147 324 1HD ARG 40 HD1 ARG 40 -0.124 -28.862 -8.757 325 2HD ARG 40 HD2 ARG 40 -1.272 -27.557 -8.446 326 HE ARG 40 HE ARG 40 0.480 -27.291 -6.356 327 1HH1 ARG 40 HH12 ARG 40 2.245 -26.359 -6.146 328 2HH1 ARG 40 HH11 ARG 40 3.243 -26.015 -7.589 329 1HH2 ARG 40 HH22 ARG 40 1.141 -27.344 -9.767 330 2HH2 ARG 40 HH21 ARG 40 2.665 -26.531 -9.423 331 H ILE 41 HN ILE 41 -0.773 -33.250 -7.700 332 HA ILE 41 HA ILE 41 -2.627 -34.860 -8.984 333 HB ILE 41 HB ILE 41 0.237 -35.723 -8.448 334 1HG1 ILE 41 HG11 ILE 41 -0.151 -35.222 -11.152 335 2HG1 ILE 41 HG12 ILE 41 -1.107 -33.928 -10.401 336 1HG2 ILE 41 HG23 ILE 41 -1.822 -36.859 -10.196 337 2HG2 ILE 41 HG21 ILE 41 -0.014 -37.120 -10.177 338 3HG2 ILE 41 HG22 ILE 41 -1.057 -37.639 -8.806 339 1HD1 ILE 41 HD12 ILE 41 1.606 -34.658 -9.451 340 2HD1 ILE 41 HD13 ILE 41 1.367 -33.470 -10.777 341 3HD1 ILE 41 HD11 ILE 41 0.740 -33.182 -9.146 342 H LYS 42 HN LYS 42 -4.022 -35.212 -7.873 343 HA LYS 42 HA LYS 42 -4.188 -37.097 -5.576 344 1HB LYS 42 HB1 LYS 42 -6.177 -35.095 -6.657 345 2HB LYS 42 HB2 LYS 42 -6.624 -36.312 -5.479 346 1HG LYS 42 HG1 LYS 42 -4.886 -35.388 -3.919 347 2HG LYS 42 HG2 LYS 42 -4.549 -34.124 -5.094 348 1HD LYS 42 HD1 LYS 42 -6.885 -33.345 -4.956 349 2HD LYS 42 HD2 LYS 42 -7.271 -34.642 -3.850 350 1HE LYS 42 HE1 LYS 42 -7.060 -32.692 -2.530 351 2HE LYS 42 HE2 LYS 42 -5.626 -33.662 -2.220 352 1HZ LYS 42 HZ1 LYS 42 -5.705 -31.512 -4.248 353 2HZ LYS 42 HZ2 LYS 42 -5.189 -31.254 -2.655 354 3HZ LYS 42 HZ3 LYS 42 -4.287 -32.279 -3.669 355 H ILE 43 HN ILE 43 -4.017 -37.899 -8.593 356 HA ILE 43 HA ILE 43 -6.575 -38.732 -9.473 357 HB ILE 43 HB ILE 43 -3.805 -39.392 -10.486 358 1HG1 ILE 43 HG11 ILE 43 -5.901 -37.532 -11.645 359 2HG1 ILE 43 HG12 ILE 43 -4.663 -36.978 -10.546 360 1HG2 ILE 43 HG21 ILE 43 -6.453 -39.971 -11.871 361 2HG2 ILE 43 HG22 ILE 43 -4.865 -40.145 -12.609 362 3HG2 ILE 43 HG23 ILE 43 -5.321 -41.182 -11.282 363 1HD1 ILE 43 HD13 ILE 43 -2.909 -37.678 -12.182 364 2HD1 ILE 43 HD11 ILE 43 -4.169 -38.159 -13.309 365 3HD1 ILE 43 HD12 ILE 43 -4.013 -36.476 -12.840 366 H GLY 44 HN GLY 44 -4.060 -40.680 -7.844 367 1HA GLY 44 HA1 GLY 44 -6.085 -42.450 -6.878 368 2HA GLY 44 HA2 GLY 44 -5.123 -43.233 -8.110 369 HA PRO 45 HA PRO 45 -3.031 -43.544 -3.683 370 1HB PRO 45 HB1 PRO 45 -3.970 -46.394 -4.162 371 2HB PRO 45 HB2 PRO 45 -3.663 -45.548 -2.633 372 1HG PRO 45 HG1 PRO 45 -6.158 -45.732 -3.456 373 2HG PRO 45 HG2 PRO 45 -5.583 -44.144 -2.907 374 1HD PRO 45 HD1 PRO 45 -5.856 -45.178 -5.750 375 2HD PRO 45 HD2 PRO 45 -6.387 -43.629 -5.057 376 H LYS 46 HN LYS 46 -2.983 -46.076 -6.210 377 HA LYS 46 HA LYS 46 -0.227 -46.651 -6.132 378 1HB LYS 46 HB1 LYS 46 -2.289 -47.001 -8.302 379 2HB LYS 46 HB2 LYS 46 -0.616 -47.487 -8.514 380 1HG LYS 46 HG1 LYS 46 -0.816 -49.013 -6.571 381 2HG LYS 46 HG2 LYS 46 -2.504 -48.570 -6.399 382 1HD LYS 46 HD1 LYS 46 -2.878 -50.388 -7.692 383 2HD LYS 46 HD2 LYS 46 -2.490 -49.331 -9.019 384 1HE LYS 46 HE1 LYS 46 -0.523 -51.204 -7.679 385 2HE LYS 46 HE2 LYS 46 -1.417 -51.576 -9.140 386 1HZ LYS 46 HZ3 LYS 46 -0.355 -49.557 -10.137 387 2HZ LYS 46 HZ1 LYS 46 0.674 -49.424 -8.785 388 3HZ LYS 46 HZ2 LYS 46 0.779 -50.799 -9.804 389 H CYS 47 HN CYS 47 -1.926 -44.094 -7.823 390 HA CYS 47 HA CYS 47 0.188 -43.188 -9.512 391 1HB CYS 47 HB1 CYS 47 -2.387 -42.602 -9.493 392 2HB CYS 47 HB2 CYS 47 -1.928 -41.367 -8.369 393 H VAL 48 HN VAL 48 -1.002 -41.565 -6.440 394 HA VAL 48 HA VAL 48 1.230 -40.214 -6.063 395 HB VAL 48 HB VAL 48 0.500 -40.785 -3.345 396 1HG1 VAL 48 HG11 VAL 48 1.154 -38.487 -4.431 397 2HG1 VAL 48 HG12 VAL 48 -0.377 -38.586 -5.302 398 3HG1 VAL 48 HG13 VAL 48 -0.369 -38.391 -3.548 399 1HG2 VAL 48 HG22 VAL 48 -1.405 -41.854 -3.978 400 2HG2 VAL 48 HG23 VAL 48 -1.780 -40.306 -3.213 401 3HG2 VAL 48 HG21 VAL 48 -1.943 -40.492 -4.958 402 H LYS 49 HN LYS 49 0.940 -43.605 -4.837 403 HA LYS 49 HA LYS 49 3.464 -43.862 -3.642 404 1HB LYS 49 HB1 LYS 49 2.005 -45.870 -5.372 405 2HB LYS 49 HB2 LYS 49 3.457 -46.246 -4.475 406 1HG LYS 49 HG1 LYS 49 2.265 -45.863 -2.346 407 2HG LYS 49 HG2 LYS 49 0.819 -45.404 -3.238 408 1HD LYS 49 HD1 LYS 49 0.460 -47.674 -2.670 409 2HD LYS 49 HD2 LYS 49 0.919 -47.705 -4.354 410 1HE LYS 49 HE1 LYS 49 3.364 -48.117 -3.275 411 2HE LYS 49 HE2 LYS 49 2.380 -48.719 -1.950 412 1HZ LYS 49 HZ2 LYS 49 1.177 -50.089 -3.624 413 2HZ LYS 49 HZ3 LYS 49 2.281 -49.586 -4.842 414 3HZ LYS 49 HZ1 LYS 49 2.815 -50.497 -3.502 415 H ALA 50 HN ALA 50 2.777 -44.491 -7.091 416 HA ALA 50 HA ALA 50 5.400 -44.900 -8.060 417 1HB ALA 50 HB1 ALA 50 3.161 -45.341 -9.227 418 2HB ALA 50 HB2 ALA 50 2.988 -43.631 -9.475 419 3HB ALA 50 HB3 ALA 50 4.261 -44.536 -10.295 420 H PHE 51 HN PHE 51 3.443 -41.935 -8.028 421 HA PHE 51 HA PHE 51 5.299 -40.076 -8.962 422 1HB PHE 51 HB1 PHE 51 2.728 -39.891 -8.345 423 2HB PHE 51 HB2 PHE 51 3.315 -39.351 -6.791 424 HD1 PHE 51 HD1 PHE 51 2.190 -38.155 -9.852 425 HD2 PHE 51 HD2 PHE 51 5.272 -37.383 -7.016 426 HE1 PHE 51 HE1 PHE 51 2.527 -36.092 -10.855 427 HE2 PHE 51 HE2 PHE 51 5.733 -35.263 -8.166 428 HZ PHE 51 HZ PHE 51 4.455 -34.637 -10.168 429 H LYS 52 HN LYS 52 4.614 -40.806 -5.444 430 HA LYS 52 HA LYS 52 6.534 -39.042 -4.470 431 1HB LYS 52 HB1 LYS 52 5.140 -41.452 -3.352 432 2HB LYS 52 HB2 LYS 52 6.531 -40.864 -2.468 433 1HG LYS 52 HG1 LYS 52 5.422 -38.622 -2.285 434 2HG LYS 52 HG2 LYS 52 3.990 -39.317 -3.049 435 1HD LYS 52 HD1 LYS 52 3.745 -40.948 -1.285 436 2HD LYS 52 HD2 LYS 52 5.296 -40.536 -0.590 437 1HE LYS 52 HE1 LYS 52 2.879 -38.731 -0.619 438 2HE LYS 52 HE2 LYS 52 3.410 -39.713 0.743 439 1HZ LYS 52 HZ3 LYS 52 5.717 -38.426 0.223 440 2HZ LYS 52 HZ1 LYS 52 4.636 -37.267 -0.401 441 3HZ LYS 52 HZ2 LYS 52 4.490 -37.761 1.207 442 H ASP 53 HN ASP 53 7.007 -42.598 -5.179 443 HA ASP 53 HA ASP 53 9.704 -42.472 -4.169 444 1HB ASP 53 HB1 ASP 53 8.202 -44.580 -5.713 445 2HB ASP 53 HB2 ASP 53 9.914 -44.758 -5.317 446 H CYS 54 HN CYS 54 8.519 -42.396 -7.589 447 HA CYS 54 HA CYS 54 11.061 -41.792 -8.673 448 1HB CYS 54 HB1 CYS 54 8.249 -41.362 -9.563 449 2HB CYS 54 HB2 CYS 54 9.552 -40.643 -10.465 450 H CYS 55 HN CYS 55 8.650 -39.447 -7.315 451 HA CYS 55 HA CYS 55 10.155 -37.114 -7.735 452 1HB CYS 55 HB1 CYS 55 7.969 -36.751 -7.222 453 2HB CYS 55 HB2 CYS 55 7.948 -37.892 -5.915 454 OH TYR 56 OH TYR 56 7.317 -38.175 0.116 455 H TYR 56 HN TYR 56 10.303 -39.252 -4.795 456 HA TYR 56 HA TYR 56 12.426 -37.775 -3.649 457 1HB TYR 56 HB1 TYR 56 11.792 -40.692 -3.219 458 2HB TYR 56 HB2 TYR 56 12.846 -39.721 -2.209 459 HD1 TYR 56 HD1 TYR 56 10.970 -37.128 -2.245 460 HD2 TYR 56 HD2 TYR 56 10.207 -41.245 -1.468 461 HE1 TYR 56 HE1 TYR 56 8.961 -36.529 -1.024 462 HE2 TYR 56 HE2 TYR 56 8.195 -40.604 -0.203 463 HH TYR 56 HH TYR 56 7.242 -37.187 0.063 464 H ILE 57 HN ILE 57 12.726 -40.464 -6.047 465 HA ILE 57 HA ILE 57 15.541 -40.207 -6.313 466 HB ILE 57 HB ILE 57 13.569 -40.769 -8.528 467 1HG1 ILE 57 HG11 ILE 57 13.111 -42.443 -6.994 468 2HG1 ILE 57 HG12 ILE 57 14.183 -43.177 -8.162 469 1HG2 ILE 57 HG21 ILE 57 16.532 -41.424 -8.446 470 2HG2 ILE 57 HG22 ILE 57 15.404 -41.991 -9.671 471 3HG2 ILE 57 HG23 ILE 57 15.747 -40.280 -9.524 472 1HD1 ILE 57 HD12 ILE 57 16.080 -42.914 -6.557 473 2HD1 ILE 57 HD13 ILE 57 14.943 -42.219 -5.401 474 3HD1 ILE 57 HD11 ILE 57 14.770 -43.899 -5.896 475 H ALA 58 HN ALA 58 13.083 -38.438 -8.078 476 HA ALA 58 HA ALA 58 14.633 -36.584 -9.519 477 1HB ALA 58 HB1 ALA 58 12.247 -36.771 -9.817 478 2HB ALA 58 HB2 ALA 58 11.979 -36.035 -8.241 479 3HB ALA 58 HB3 ALA 58 12.739 -35.109 -9.530 480 H ASN 59 HN ASN 59 13.401 -36.096 -6.188 481 HA ASN 59 HA ASN 59 14.774 -33.692 -5.639 482 1HB ASN 59 HB1 ASN 59 12.838 -34.888 -4.334 483 2HB ASN 59 HB2 ASN 59 14.121 -35.726 -3.481 484 1HD2 ASN 59 HD21 ASN 59 14.946 -33.300 -1.404 485 2HD2 ASN 59 HD22 ASN 59 15.987 -33.661 -2.750 486 H GLN 60 HN GLN 60 15.969 -37.064 -5.106 487 HA GLN 60 HA GLN 60 18.522 -36.213 -4.177 488 1HB GLN 60 HB1 GLN 60 17.594 -38.750 -5.520 489 2HB GLN 60 HB2 GLN 60 19.262 -38.512 -5.020 490 1HG GLN 60 HG1 GLN 60 18.699 -38.388 -2.710 491 2HG GLN 60 HG2 GLN 60 16.992 -38.137 -3.035 492 1HE2 GLN 60 HE21 GLN 60 16.329 -41.576 -3.463 493 2HE2 GLN 60 HE22 GLN 60 15.761 -39.958 -3.813 494 H VAL 61 HN VAL 61 17.628 -37.123 -7.594 495 HA VAL 61 HA VAL 61 20.229 -36.448 -8.503 496 HB VAL 61 HB VAL 61 19.521 -36.643 -10.782 497 1HG1 VAL 61 HG13 VAL 61 20.189 -38.635 -9.562 498 2HG1 VAL 61 HG11 VAL 61 18.539 -38.880 -8.995 499 3HG1 VAL 61 HG12 VAL 61 18.915 -39.033 -10.710 500 1HG2 VAL 61 HG22 VAL 61 17.232 -35.769 -10.737 501 2HG2 VAL 61 HG23 VAL 61 17.273 -37.397 -11.403 502 3HG2 VAL 61 HG21 VAL 61 16.735 -37.142 -9.748 503 NH1 ARG 62 NH1 ARG 62 13.178 -28.837 -10.893 504 NH2 ARG 62 NH2 ARG 62 14.717 -28.312 -9.459 505 H ARG 62 HN ARG 62 17.448 -34.251 -8.174 506 HA ARG 62 HA ARG 62 18.568 -32.040 -9.476 507 1HB ARG 62 HB1 ARG 62 16.821 -32.251 -7.021 508 2HB ARG 62 HB2 ARG 62 17.365 -30.696 -7.595 509 1HG ARG 62 HG1 ARG 62 15.656 -32.627 -9.184 510 2HG ARG 62 HG2 ARG 62 15.066 -31.231 -8.310 511 1HD ARG 62 HD1 ARG 62 16.781 -29.911 -9.864 512 2HD ARG 62 HD2 ARG 62 16.639 -31.331 -10.865 513 HE ARG 62 HE ARG 62 14.298 -30.815 -11.226 514 1HH1 ARG 62 HH12 ARG 62 12.755 -29.471 -11.570 515 2HH1 ARG 62 HH11 ARG 62 12.776 -27.966 -10.647 516 1HH2 ARG 62 HH22 ARG 62 15.548 -28.529 -8.977 517 2HH2 ARG 62 HH21 ARG 62 14.189 -27.446 -9.297 518 H ALA 63 HN ALA 63 19.823 -33.476 -6.499 519 HA ALA 63 HA ALA 63 21.481 -31.185 -5.881 520 1HB ALA 63 HB1 ALA 63 20.793 -32.748 -4.127 521 2HB ALA 63 HB2 ALA 63 21.610 -34.074 -4.952 522 3HB ALA 63 HB3 ALA 63 22.549 -32.745 -4.274 523 H GLU 64 HN GLU 64 21.818 -33.969 -7.959 524 HA GLU 64 HA GLU 64 24.627 -33.320 -8.561 525 1HB GLU 64 HB1 GLU 64 22.901 -35.586 -9.618 526 2HB GLU 64 HB2 GLU 64 24.577 -35.317 -10.038 527 1HG GLU 64 HG1 GLU 64 24.732 -37.004 -8.417 528 2HG GLU 64 HG2 GLU 64 25.060 -35.562 -7.476 529 H GLN 65 HN GLN 65 21.470 -33.433 -10.319 530 HA GLN 65 HA GLN 65 22.762 -31.881 -12.497 531 1HB GLN 65 HB1 GLN 65 20.468 -33.863 -12.620 532 2HB GLN 65 HB2 GLN 65 20.987 -32.878 -13.974 533 1HG GLN 65 HG1 GLN 65 23.212 -34.015 -13.962 534 2HG GLN 65 HG2 GLN 65 22.708 -34.978 -12.583 535 1HE2 GLN 65 HE21 GLN 65 21.255 -35.988 -16.220 536 2HE2 GLN 65 HE22 GLN 65 21.986 -34.422 -16.050 Start of MODEL 9 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 14.957 -43.845 -3.931 2 2H MET 1 HT2 MET 1 16.440 -43.302 -3.357 3 3H MET 1 HT1 MET 1 16.273 -44.901 -3.921 4 HA MET 1 HA MET 1 16.262 -45.145 -1.644 5 1HB MET 1 HB1 MET 1 16.065 -42.717 -1.237 6 2HB MET 1 HB2 MET 1 14.348 -42.792 -1.526 7 1HG MET 1 HG1 MET 1 14.127 -44.345 0.452 8 2HG MET 1 HG2 MET 1 15.844 -44.151 0.744 9 1HE MET 1 HE1 MET 1 16.903 -41.516 1.000 10 2HE MET 1 HE2 MET 1 16.204 -40.819 2.450 11 3HE MET 1 HE3 MET 1 16.691 -42.504 2.462 12 H LEU 2 HN LEU 2 12.870 -44.131 -2.298 13 HA LEU 2 HA LEU 2 11.873 -46.708 -1.555 14 1HB LEU 2 HB1 LEU 2 10.489 -44.204 -2.544 15 2HB LEU 2 HB2 LEU 2 9.645 -45.631 -2.006 16 HG LEU 2 HG LEU 2 11.560 -44.109 -0.208 17 1HD1 LEU 2 HD11 LEU 2 9.712 -42.619 -0.884 18 2HD1 LEU 2 HD12 LEU 2 8.540 -43.842 -0.421 19 3HD1 LEU 2 HD13 LEU 2 9.552 -43.085 0.804 20 1HD2 LEU 2 HD23 LEU 2 9.342 -46.090 0.432 21 2HD2 LEU 2 HD21 LEU 2 11.066 -46.429 0.537 22 3HD2 LEU 2 HD22 LEU 2 10.339 -45.248 1.611 23 H GLN 3 HN GLN 3 13.347 -47.446 -3.422 24 HA GLN 3 HA GLN 3 12.341 -47.683 -6.049 25 1HB GLN 3 HB1 GLN 3 13.828 -49.561 -6.359 26 2HB GLN 3 HB2 GLN 3 14.641 -48.218 -5.591 27 1HG GLN 3 HG1 GLN 3 14.762 -49.351 -3.475 28 2HG GLN 3 HG2 GLN 3 13.620 -50.592 -3.972 29 1HE2 GLN 3 HE21 GLN 3 16.082 -52.349 -5.873 30 2HE2 GLN 3 HE22 GLN 3 14.367 -52.018 -5.862 31 H LYS 4 HN LYS 4 11.648 -49.599 -3.208 32 HA LYS 4 HA LYS 4 10.063 -51.649 -4.205 33 1HB LYS 4 HB1 LYS 4 10.784 -51.633 -1.940 34 2HB LYS 4 HB2 LYS 4 10.022 -50.092 -1.611 35 1HG LYS 4 HG1 LYS 4 7.823 -51.068 -1.607 36 2HG LYS 4 HG2 LYS 4 8.422 -52.581 -2.265 37 1HD LYS 4 HD1 LYS 4 9.525 -53.141 -0.224 38 2HD LYS 4 HD2 LYS 4 9.366 -51.516 0.403 39 1HE LYS 4 HE1 LYS 4 7.854 -53.088 1.524 40 2HE LYS 4 HE2 LYS 4 6.987 -51.790 0.718 41 1HZ LYS 4 HZ2 LYS 4 7.448 -54.399 -0.594 42 2HZ LYS 4 HZ3 LYS 4 6.090 -54.106 0.374 43 3HZ LYS 4 HZ1 LYS 4 6.286 -53.214 -1.052 44 H LYS 5 HN LYS 5 8.952 -48.321 -3.400 45 HA LYS 5 HA LYS 5 6.264 -48.880 -4.251 46 1HB LYS 5 HB1 LYS 5 7.239 -46.959 -2.620 47 2HB LYS 5 HB2 LYS 5 7.158 -46.037 -4.107 48 1HG LYS 5 HG1 LYS 5 5.023 -45.681 -3.209 49 2HG LYS 5 HG2 LYS 5 4.711 -47.023 -4.294 50 1HD LYS 5 HD1 LYS 5 5.187 -48.538 -2.199 51 2HD LYS 5 HD2 LYS 5 5.005 -47.059 -1.286 52 1HE LYS 5 HE1 LYS 5 2.897 -48.028 -1.172 53 2HE LYS 5 HE2 LYS 5 2.722 -46.828 -2.449 54 1HZ LYS 5 HZ2 LYS 5 3.451 -49.710 -2.978 55 2HZ LYS 5 HZ3 LYS 5 1.861 -49.120 -2.999 56 3HZ LYS 5 HZ1 LYS 5 2.923 -48.535 -4.163 57 H ILE 6 HN ILE 6 9.042 -47.268 -5.877 58 HA ILE 6 HA ILE 6 7.729 -46.844 -8.361 59 HB ILE 6 HB ILE 6 10.635 -47.687 -8.088 60 1HG1 ILE 6 HG11 ILE 6 9.510 -44.877 -8.228 61 2HG1 ILE 6 HG12 ILE 6 10.069 -45.640 -6.756 62 1HG2 ILE 6 HG21 ILE 6 9.798 -47.909 -10.440 63 2HG2 ILE 6 HG22 ILE 6 9.211 -46.260 -10.423 64 3HG2 ILE 6 HG23 ILE 6 10.924 -46.588 -10.343 65 1HD1 ILE 6 HD11 ILE 6 12.360 -45.815 -7.695 66 2HD1 ILE 6 HD12 ILE 6 11.821 -45.009 -9.167 67 3HD1 ILE 6 HD13 ILE 6 11.784 -44.153 -7.647 68 H GLU 7 HN GLU 7 9.481 -49.801 -7.252 69 HA GLU 7 HA GLU 7 8.795 -51.433 -9.443 70 1HB GLU 7 HB1 GLU 7 9.477 -52.141 -6.590 71 2HB GLU 7 HB2 GLU 7 9.216 -53.355 -7.834 72 1HG GLU 7 HG1 GLU 7 11.107 -52.519 -9.149 73 2HG GLU 7 HG2 GLU 7 11.311 -51.150 -8.064 74 H GLU 8 HN GLU 8 6.846 -51.162 -6.339 75 HA GLU 8 HA GLU 8 4.870 -52.977 -7.274 76 1HB GLU 8 HB1 GLU 8 4.605 -50.619 -5.360 77 2HB GLU 8 HB2 GLU 8 3.360 -51.828 -5.593 78 1HG GLU 8 HG1 GLU 8 4.698 -53.564 -4.598 79 2HG GLU 8 HG2 GLU 8 6.152 -52.596 -4.676 80 H GLU 9 HN GLU 9 5.009 -49.444 -7.762 81 HA GLU 9 HA GLU 9 2.514 -49.430 -9.300 82 1HB GLU 9 HB1 GLU 9 4.433 -47.436 -8.206 83 2HB GLU 9 HB2 GLU 9 3.507 -46.978 -9.614 84 1HG GLU 9 HG1 GLU 9 2.477 -46.341 -7.366 85 2HG GLU 9 HG2 GLU 9 1.411 -47.191 -8.457 86 H ALA 10 HN ALA 10 5.970 -49.024 -10.345 87 HA ALA 10 HA ALA 10 4.953 -49.929 -12.983 88 1HB ALA 10 HB3 ALA 10 6.289 -47.795 -12.881 89 2HB ALA 10 HB1 ALA 10 7.605 -48.647 -12.095 90 3HB ALA 10 HB2 ALA 10 7.196 -49.009 -13.769 91 H ALA 11 HN ALA 11 5.287 -52.091 -10.970 92 HA ALA 11 HA ALA 11 7.218 -53.829 -11.549 93 1HB ALA 11 HB3 ALA 11 5.469 -54.149 -9.900 94 2HB ALA 11 HB1 ALA 11 4.260 -54.375 -11.161 95 3HB ALA 11 HB2 ALA 11 5.535 -55.572 -10.955 96 H LYS 12 HN LYS 12 6.687 -52.696 -14.183 97 HA LYS 12 HA LYS 12 6.246 -53.114 -16.406 98 1HB LYS 12 HB1 LYS 12 7.834 -55.445 -15.428 99 2HB LYS 12 HB2 LYS 12 7.281 -55.432 -17.078 100 1HG LYS 12 HG1 LYS 12 9.580 -54.645 -16.920 101 2HG LYS 12 HG2 LYS 12 8.540 -53.402 -17.557 102 1HD LYS 12 HD1 LYS 12 8.943 -53.219 -14.621 103 2HD LYS 12 HD2 LYS 12 10.422 -53.092 -15.543 104 1HE LYS 12 HE1 LYS 12 9.713 -51.186 -16.716 105 2HE LYS 12 HE2 LYS 12 8.019 -51.433 -16.300 106 1HZ LYS 12 HZ1 LYS 12 10.164 -50.816 -14.342 107 2HZ LYS 12 HZ2 LYS 12 9.042 -49.657 -14.922 108 3HZ LYS 12 HZ3 LYS 12 8.511 -51.018 -13.967 109 OH TYR 13 OH TYR 13 0.532 -50.938 -10.659 110 H TYR 13 HN TYR 13 3.786 -53.321 -15.318 111 HA TYR 13 HA TYR 13 2.695 -55.937 -15.941 112 1HB TYR 13 HB1 TYR 13 1.784 -56.061 -13.761 113 2HB TYR 13 HB2 TYR 13 3.427 -55.560 -13.535 114 HD1 TYR 13 HD1 TYR 13 3.505 -52.508 -13.546 115 HD2 TYR 13 HD2 TYR 13 0.450 -55.190 -12.128 116 HE1 TYR 13 HE1 TYR 13 2.492 -50.769 -12.306 117 HE2 TYR 13 HE2 TYR 13 -0.414 -53.381 -10.719 118 HH TYR 13 HH TYR 13 1.078 -50.171 -10.888 119 H LYS 14 HN LYS 14 0.238 -54.787 -14.699 120 HA LYS 14 HA LYS 14 -1.118 -54.523 -17.224 121 1HB LYS 14 HB1 LYS 14 -1.921 -55.852 -15.282 122 2HB LYS 14 HB2 LYS 14 -2.135 -54.376 -14.363 123 1HG LYS 14 HG1 LYS 14 -3.864 -53.658 -16.091 124 2HG LYS 14 HG2 LYS 14 -3.714 -55.258 -16.804 125 1HD LYS 14 HD1 LYS 14 -4.482 -56.316 -14.774 126 2HD LYS 14 HD2 LYS 14 -4.369 -54.815 -13.875 127 1HE LYS 14 HE1 LYS 14 -6.128 -53.934 -15.611 128 2HE LYS 14 HE2 LYS 14 -6.407 -55.645 -15.933 129 1HZ LYS 14 HZ2 LYS 14 -6.731 -55.971 -13.541 130 2HZ LYS 14 HZ3 LYS 14 -6.530 -54.300 -13.226 131 3HZ LYS 14 HZ1 LYS 14 -7.850 -54.859 -14.150 132 OH TYR 15 OH TYR 15 -6.159 -53.395 -12.055 133 H TYR 15 HN TYR 15 -0.681 -52.231 -14.501 134 HA TYR 15 HA TYR 15 -2.456 -50.330 -15.765 135 1HB TYR 15 HB1 TYR 15 -1.016 -50.217 -13.116 136 2HB TYR 15 HB2 TYR 15 -2.139 -49.008 -13.703 137 HD1 TYR 15 HD1 TYR 15 -4.466 -50.179 -14.680 138 HD2 TYR 15 HD2 TYR 15 -1.989 -51.752 -11.616 139 HE1 TYR 15 HE1 TYR 15 -6.304 -51.623 -13.923 140 HE2 TYR 15 HE2 TYR 15 -3.821 -53.204 -10.876 141 HH TYR 15 HH TYR 15 -5.936 -53.801 -11.210 142 H ALA 16 HN ALA 16 -1.289 -50.087 -17.567 143 HA ALA 16 HA ALA 16 1.123 -48.845 -18.078 144 1HB ALA 16 HB3 ALA 16 -0.245 -49.921 -19.768 145 2HB ALA 16 HB1 ALA 16 -1.471 -48.667 -19.627 146 3HB ALA 16 HB2 ALA 16 0.124 -48.274 -20.263 147 H MET 17 HN MET 17 -1.952 -47.092 -17.626 148 HA MET 17 HA MET 17 -0.919 -44.482 -17.969 149 1HB MET 17 HB1 MET 17 -3.403 -45.511 -16.578 150 2HB MET 17 HB2 MET 17 -3.024 -43.811 -16.665 151 1HG MET 17 HG1 MET 17 -4.593 -44.229 -18.376 152 2HG MET 17 HG2 MET 17 -3.059 -43.961 -19.162 153 1HE MET 17 HE3 MET 17 -1.814 -45.694 -20.646 154 2HE MET 17 HE1 MET 17 -2.864 -46.765 -21.558 155 3HE MET 17 HE2 MET 17 -3.248 -45.055 -21.479 156 H LEU 18 HN LEU 18 -0.951 -46.546 -15.158 157 HA LEU 18 HA LEU 18 -0.435 -44.354 -13.300 158 1HB LEU 18 HB1 LEU 18 -0.675 -47.300 -12.648 159 2HB LEU 18 HB2 LEU 18 -0.768 -45.946 -11.540 160 HG LEU 18 HG LEU 18 -2.798 -46.598 -13.710 161 1HD1 LEU 18 HD11 LEU 18 -2.963 -48.115 -11.781 162 2HD1 LEU 18 HD12 LEU 18 -3.082 -46.728 -10.713 163 3HD1 LEU 18 HD13 LEU 18 -4.354 -47.047 -11.880 164 1HD2 LEU 18 HD23 LEU 18 -2.859 -44.380 -11.658 165 2HD2 LEU 18 HD21 LEU 18 -2.702 -44.174 -13.394 166 3HD2 LEU 18 HD22 LEU 18 -4.198 -44.813 -12.727 167 H LYS 19 HN LYS 19 1.429 -47.388 -14.206 168 HA LYS 19 HA LYS 19 3.837 -46.291 -13.364 169 1HB LYS 19 HB1 LYS 19 5.004 -47.762 -14.871 170 2HB LYS 19 HB2 LYS 19 3.612 -48.612 -14.231 171 1HG LYS 19 HG1 LYS 19 2.459 -48.437 -16.320 172 2HG LYS 19 HG2 LYS 19 3.658 -47.362 -17.000 173 1HD LYS 19 HD1 LYS 19 4.266 -49.338 -17.994 174 2HD LYS 19 HD2 LYS 19 5.332 -49.307 -16.619 175 1HE LYS 19 HE1 LYS 19 4.547 -51.528 -16.826 176 2HE LYS 19 HE2 LYS 19 3.729 -50.843 -15.421 177 1HZ LYS 19 HZ2 LYS 19 2.589 -50.856 -18.151 178 2HZ LYS 19 HZ3 LYS 19 2.175 -52.083 -17.059 179 3HZ LYS 19 HZ1 LYS 19 1.799 -50.443 -16.716 180 H LYS 20 HN LYS 20 2.205 -45.405 -16.514 181 HA LYS 20 HA LYS 20 4.214 -43.612 -17.321 182 1HB LYS 20 HB1 LYS 20 2.232 -44.227 -18.701 183 2HB LYS 20 HB2 LYS 20 1.202 -43.311 -17.632 184 1HG LYS 20 HG1 LYS 20 2.952 -41.325 -18.315 185 2HG LYS 20 HG2 LYS 20 3.167 -42.364 -19.692 186 1HD LYS 20 HD1 LYS 20 1.584 -40.571 -20.124 187 2HD LYS 20 HD2 LYS 20 0.849 -42.141 -20.311 188 1HE LYS 20 HE1 LYS 20 -0.520 -40.252 -19.237 189 2HE LYS 20 HE2 LYS 20 -0.582 -41.839 -18.496 190 1HZ LYS 20 HZ1 LYS 20 1.363 -39.726 -17.503 191 2HZ LYS 20 HZ2 LYS 20 -0.241 -39.907 -16.922 192 3HZ LYS 20 HZ3 LYS 20 0.855 -41.168 -16.798 193 H CYS 21 HN CYS 21 1.441 -42.883 -14.963 194 HA CYS 21 HA CYS 21 2.256 -40.335 -14.226 195 1HB CYS 21 HB1 CYS 21 0.851 -42.519 -12.829 196 2HB CYS 21 HB2 CYS 21 1.611 -41.379 -11.763 197 H CYS 22 HN CYS 22 3.635 -43.357 -12.854 198 HA CYS 22 HA CYS 22 5.929 -42.283 -11.520 199 1HB CYS 22 HB1 CYS 22 5.119 -44.791 -11.937 200 2HB CYS 22 HB2 CYS 22 6.551 -44.697 -12.881 201 OH TYR 23 OH TYR 23 8.766 -48.299 -15.599 202 H TYR 23 HN TYR 23 5.829 -42.985 -14.918 203 HA TYR 23 HA TYR 23 8.492 -41.960 -15.135 204 1HB TYR 23 HB1 TYR 23 6.560 -42.798 -17.245 205 2HB TYR 23 HB2 TYR 23 8.290 -42.576 -17.441 206 HD1 TYR 23 HD1 TYR 23 7.170 -44.989 -18.178 207 HD2 TYR 23 HD2 TYR 23 8.031 -44.142 -14.054 208 HE1 TYR 23 HE1 TYR 23 7.878 -47.319 -17.833 209 HE2 TYR 23 HE2 TYR 23 8.850 -46.411 -13.811 210 HH TYR 23 HH TYR 23 8.692 -48.730 -16.461 211 H ASP 24 HN ASP 24 5.388 -40.428 -15.885 212 HA ASP 24 HA ASP 24 6.395 -37.887 -16.664 213 1HB ASP 24 HB1 ASP 24 3.869 -38.546 -15.119 214 2HB ASP 24 HB2 ASP 24 4.246 -36.971 -15.787 215 H GLY 25 HN GLY 25 5.966 -39.184 -13.345 216 1HA GLY 25 HA1 GLY 25 7.078 -36.891 -12.039 217 2HA GLY 25 HA2 GLY 25 6.975 -38.501 -11.367 218 H ALA 26 HN ALA 26 8.634 -39.936 -13.053 219 HA ALA 26 HA ALA 26 11.214 -39.411 -12.092 220 1HB ALA 26 HB2 ALA 26 10.473 -41.639 -12.735 221 2HB ALA 26 HB3 ALA 26 10.398 -41.152 -14.427 222 3HB ALA 26 HB1 ALA 26 11.948 -41.219 -13.597 223 OH TYR 27 OH TYR 27 12.776 -41.713 -20.344 224 H TYR 27 HN TYR 27 9.959 -38.558 -15.362 225 HA TYR 27 HA TYR 27 12.461 -37.422 -16.181 226 1HB TYR 27 HB1 TYR 27 9.687 -37.355 -17.327 227 2HB TYR 27 HB2 TYR 27 10.949 -36.352 -18.007 228 HD1 TYR 27 HD1 TYR 27 12.932 -37.409 -19.100 229 HD2 TYR 27 HD2 TYR 27 9.792 -39.810 -17.552 230 HE1 TYR 27 HE1 TYR 27 13.796 -39.357 -20.344 231 HE2 TYR 27 HE2 TYR 27 10.660 -41.745 -18.800 232 HH TYR 27 HH TYR 27 12.232 -42.486 -20.189 233 NH1 ARG 28 NH1 ARG 28 14.749 -28.129 -12.194 234 NH2 ARG 28 NH2 ARG 28 12.690 -28.750 -12.423 235 H ARG 28 HN ARG 28 12.578 -36.311 -14.004 236 HA ARG 28 HA ARG 28 13.217 -34.434 -12.981 237 1HB ARG 28 HB1 ARG 28 14.159 -34.060 -15.263 238 2HB ARG 28 HB2 ARG 28 12.822 -32.989 -15.592 239 1HG ARG 28 HG1 ARG 28 14.489 -32.428 -13.150 240 2HG ARG 28 HG2 ARG 28 15.215 -32.126 -14.711 241 1HD ARG 28 HD1 ARG 28 13.478 -30.517 -15.266 242 2HD ARG 28 HD2 ARG 28 12.588 -30.923 -13.806 243 HE ARG 28 HE ARG 28 15.360 -29.919 -13.512 244 1HH1 ARG 28 HH12 ARG 28 15.717 -28.203 -12.366 245 2HH1 ARG 28 HH11 ARG 28 14.351 -27.414 -11.584 246 1HH2 ARG 28 HH22 ARG 28 11.968 -29.367 -12.781 247 2HH2 ARG 28 HH21 ARG 28 12.482 -27.989 -11.819 248 H ASN 29 HN ASN 29 10.347 -33.591 -14.842 249 HA ASN 29 HA ASN 29 8.512 -32.350 -14.480 250 1HB ASN 29 HB1 ASN 29 8.113 -33.672 -12.492 251 2HB ASN 29 HB2 ASN 29 9.118 -32.598 -11.536 252 1HD2 ASN 29 HD21 ASN 29 5.772 -31.090 -13.205 253 2HD2 ASN 29 HD22 ASN 29 5.717 -32.796 -12.839 254 H ASP 30 HN ASP 30 7.741 -30.280 -14.329 255 HA ASP 30 HA ASP 30 9.546 -28.168 -14.794 256 1HB ASP 30 HB1 ASP 30 7.465 -26.785 -14.900 257 2HB ASP 30 HB2 ASP 30 7.372 -28.247 -15.862 258 H ASP 31 HN ASP 31 8.265 -29.189 -11.656 259 HA ASP 31 HA ASP 31 8.758 -26.505 -10.572 260 1HB ASP 31 HB1 ASP 31 6.566 -27.945 -10.246 261 2HB ASP 31 HB2 ASP 31 7.502 -28.792 -9.036 262 H GLU 32 HN GLU 32 10.108 -26.104 -9.005 263 HA GLU 32 HA GLU 32 12.317 -27.783 -8.351 264 1HB GLU 32 HB1 GLU 32 11.440 -25.170 -7.085 265 2HB GLU 32 HB2 GLU 32 12.997 -25.936 -6.864 266 1HG GLU 32 HG1 GLU 32 11.939 -24.802 -9.501 267 2HG GLU 32 HG2 GLU 32 13.175 -24.087 -8.488 268 H THR 33 HN THR 33 9.154 -27.485 -6.636 269 HA THR 33 HA THR 33 10.162 -29.799 -5.125 270 HB THR 33 HB THR 33 8.699 -27.542 -3.723 271 HG1 THR 33 HG1 THR 33 11.325 -28.060 -4.176 272 1HG2 THR 33 HG22 THR 33 9.941 -30.090 -2.630 273 2HG2 THR 33 HG23 THR 33 9.204 -28.796 -1.695 274 3HG2 THR 33 HG21 THR 33 8.199 -29.809 -2.735 275 H CYS 34 HN CYS 34 9.094 -31.013 -6.601 276 HA CYS 34 HA CYS 34 6.460 -30.720 -7.528 277 1HB CYS 34 HB1 CYS 34 6.729 -32.929 -8.486 278 2HB CYS 34 HB2 CYS 34 8.155 -31.955 -8.750 279 H GLU 35 HN GLU 35 7.564 -32.190 -4.589 280 HA GLU 35 HA GLU 35 5.306 -33.752 -3.916 281 1HB GLU 35 HB1 GLU 35 7.225 -32.287 -2.063 282 2HB GLU 35 HB2 GLU 35 6.151 -33.587 -1.600 283 1HG GLU 35 HG1 GLU 35 8.161 -34.756 -1.823 284 2HG GLU 35 HG2 GLU 35 7.475 -35.000 -3.405 285 H GLU 36 HN GLU 36 5.809 -30.270 -3.545 286 HA GLU 36 HA GLU 36 3.428 -29.671 -2.058 287 1HB GLU 36 HB1 GLU 36 5.265 -28.068 -3.891 288 2HB GLU 36 HB2 GLU 36 3.823 -27.348 -3.176 289 1HG GLU 36 HG1 GLU 36 4.730 -27.872 -0.892 290 2HG GLU 36 HG2 GLU 36 6.170 -28.552 -1.635 291 NH1 ARG 37 NH1 ARG 37 3.052 -27.959 -12.184 292 NH2 ARG 37 NH2 ARG 37 4.459 -26.801 -11.036 293 H ARG 37 HN ARG 37 4.204 -29.548 -5.467 294 HA ARG 37 HA ARG 37 1.627 -29.070 -6.519 295 1HB ARG 37 HB1 ARG 37 4.018 -30.483 -7.737 296 2HB ARG 37 HB2 ARG 37 2.595 -30.001 -8.634 297 1HG ARG 37 HG1 ARG 37 4.211 -27.961 -7.095 298 2HG ARG 37 HG2 ARG 37 4.652 -28.481 -8.702 299 1HD ARG 37 HD1 ARG 37 1.946 -27.280 -8.070 300 2HD ARG 37 HD2 ARG 37 3.325 -26.335 -8.595 301 HE ARG 37 HE ARG 37 1.769 -28.161 -10.265 302 1HH1 ARG 37 HH12 ARG 37 2.220 -28.477 -12.301 303 2HH1 ARG 37 HH11 ARG 37 3.704 -27.787 -12.926 304 1HH2 ARG 37 HH22 ARG 37 4.791 -26.373 -10.193 305 2HH2 ARG 37 HH21 ARG 37 4.953 -26.742 -11.911 306 H ALA 38 HN ALA 38 3.251 -32.334 -6.092 307 HA ALA 38 HA ALA 38 0.749 -33.623 -6.498 308 1HB ALA 38 HB1 ALA 38 3.410 -34.683 -5.635 309 2HB ALA 38 HB2 ALA 38 1.990 -35.677 -6.031 310 3HB ALA 38 HB3 ALA 38 2.694 -34.606 -7.259 311 H ALA 39 HN ALA 39 1.776 -32.232 -3.426 312 HA ALA 39 HA ALA 39 -0.454 -33.412 -2.147 313 1HB ALA 39 HB1 ALA 39 1.084 -31.929 -0.968 314 2HB ALA 39 HB2 ALA 39 0.570 -30.566 -1.958 315 3HB ALA 39 HB3 ALA 39 -0.562 -31.316 -0.831 316 NH1 ARG 40 NH1 ARG 40 -4.250 -25.180 -7.501 317 NH2 ARG 40 NH2 ARG 40 -2.268 -24.413 -6.991 318 H ARG 40 HN ARG 40 -0.379 -30.708 -4.492 319 HA ARG 40 HA ARG 40 -3.269 -30.603 -4.673 320 1HB ARG 40 HB1 ARG 40 -1.155 -29.392 -6.446 321 2HB ARG 40 HB2 ARG 40 -2.873 -29.085 -6.613 322 1HG ARG 40 HG1 ARG 40 -2.908 -28.182 -4.269 323 2HG ARG 40 HG2 ARG 40 -1.173 -28.422 -4.178 324 1HD ARG 40 HD1 ARG 40 -1.571 -26.110 -4.679 325 2HD ARG 40 HD2 ARG 40 -0.913 -26.866 -6.134 326 HE ARG 40 HE ARG 40 -3.747 -27.030 -6.205 327 1HH1 ARG 40 HH12 ARG 40 -4.936 -25.889 -7.437 328 2HH1 ARG 40 HH11 ARG 40 -4.397 -24.351 -8.019 329 1HH2 ARG 40 HH22 ARG 40 -1.414 -24.542 -6.513 330 2HH2 ARG 40 HH21 ARG 40 -2.463 -23.605 -7.526 331 H ILE 41 HN ILE 41 -0.999 -32.047 -7.197 332 HA ILE 41 HA ILE 41 -2.777 -33.184 -8.810 333 HB ILE 41 HB ILE 41 -0.063 -34.358 -8.141 334 1HG1 ILE 41 HG11 ILE 41 -0.214 -33.639 -10.834 335 2HG1 ILE 41 HG12 ILE 41 -1.245 -32.404 -10.076 336 1HG2 ILE 41 HG21 ILE 41 -1.906 -35.312 -10.198 337 2HG2 ILE 41 HG22 ILE 41 -0.116 -35.568 -9.990 338 3HG2 ILE 41 HG23 ILE 41 -1.297 -36.225 -8.812 339 1HD1 ILE 41 HD11 ILE 41 1.430 -33.106 -9.094 340 2HD1 ILE 41 HD12 ILE 41 1.199 -31.867 -10.366 341 3HD1 ILE 41 HD13 ILE 41 0.504 -31.659 -8.751 342 H LYS 42 HN LYS 42 -4.337 -33.754 -8.284 343 HA LYS 42 HA LYS 42 -5.068 -36.061 -6.547 344 1HB LYS 42 HB1 LYS 42 -6.230 -33.393 -6.868 345 2HB LYS 42 HB2 LYS 42 -7.440 -34.638 -7.061 346 1HG LYS 42 HG1 LYS 42 -7.377 -33.858 -4.765 347 2HG LYS 42 HG2 LYS 42 -6.906 -35.542 -4.841 348 1HD LYS 42 HD1 LYS 42 -4.566 -34.971 -4.509 349 2HD LYS 42 HD2 LYS 42 -4.916 -33.260 -4.667 350 1HE LYS 42 HE1 LYS 42 -6.137 -33.228 -2.600 351 2HE LYS 42 HE2 LYS 42 -6.097 -34.989 -2.477 352 1HZ LYS 42 HZ2 LYS 42 -3.623 -33.241 -2.572 353 2HZ LYS 42 HZ3 LYS 42 -4.329 -33.887 -1.147 354 3HZ LYS 42 HZ1 LYS 42 -3.716 -34.917 -2.343 355 H ILE 43 HN ILE 43 -4.243 -36.536 -9.266 356 HA ILE 43 HA ILE 43 -6.478 -37.021 -10.970 357 HB ILE 43 HB ILE 43 -3.635 -38.066 -11.110 358 1HG1 ILE 43 HG11 ILE 43 -5.017 -35.942 -12.781 359 2HG1 ILE 43 HG12 ILE 43 -4.092 -35.557 -11.352 360 1HG2 ILE 43 HG23 ILE 43 -5.805 -38.275 -13.239 361 2HG2 ILE 43 HG21 ILE 43 -4.113 -38.697 -13.471 362 3HG2 ILE 43 HG22 ILE 43 -5.093 -39.631 -12.375 363 1HD1 ILE 43 HD13 ILE 43 -2.050 -36.520 -12.424 364 2HD1 ILE 43 HD11 ILE 43 -2.978 -36.834 -13.883 365 3HD1 ILE 43 HD12 ILE 43 -2.733 -35.184 -13.343 366 H GLY 44 HN GLY 44 -4.640 -39.331 -8.957 367 1HA GLY 44 HA1 GLY 44 -6.958 -40.774 -8.209 368 2HA GLY 44 HA2 GLY 44 -6.144 -41.646 -9.492 369 HA PRO 45 HA PRO 45 -4.312 -42.035 -4.870 370 1HB PRO 45 HB1 PRO 45 -5.396 -44.851 -5.214 371 2HB PRO 45 HB2 PRO 45 -5.155 -43.906 -3.732 372 1HG PRO 45 HG1 PRO 45 -7.579 -43.988 -4.756 373 2HG PRO 45 HG2 PRO 45 -6.935 -42.401 -4.284 374 1HD PRO 45 HD1 PRO 45 -7.047 -43.649 -7.052 375 2HD PRO 45 HD2 PRO 45 -7.520 -42.017 -6.529 376 H LYS 46 HN LYS 46 -4.113 -44.929 -6.999 377 HA LYS 46 HA LYS 46 -1.354 -45.377 -6.526 378 1HB LYS 46 HB1 LYS 46 -3.369 -46.504 -8.403 379 2HB LYS 46 HB2 LYS 46 -1.680 -46.702 -8.818 380 1HG LYS 46 HG1 LYS 46 -1.226 -47.879 -6.746 381 2HG LYS 46 HG2 LYS 46 -2.848 -47.563 -6.158 382 1HD LYS 46 HD1 LYS 46 -2.712 -49.853 -6.917 383 2HD LYS 46 HD2 LYS 46 -3.774 -48.966 -7.977 384 1HE LYS 46 HE1 LYS 46 -2.600 -50.290 -9.451 385 2HE LYS 46 HE2 LYS 46 -1.719 -48.789 -9.572 386 1HZ LYS 46 HZ3 LYS 46 -0.065 -49.712 -7.894 387 2HZ LYS 46 HZ1 LYS 46 -0.943 -51.147 -7.962 388 3HZ LYS 46 HZ2 LYS 46 -0.177 -50.621 -9.396 389 H CYS 47 HN CYS 47 -2.896 -43.225 -8.860 390 HA CYS 47 HA CYS 47 -0.562 -42.840 -10.484 391 1HB CYS 47 HB1 CYS 47 -3.221 -41.873 -10.638 392 2HB CYS 47 HB2 CYS 47 -2.233 -40.452 -10.442 393 H VAL 48 HN VAL 48 -1.957 -40.554 -7.895 394 HA VAL 48 HA VAL 48 0.209 -39.156 -7.552 395 HB VAL 48 HB VAL 48 -0.880 -39.853 -4.866 396 1HG1 VAL 48 HG12 VAL 48 0.465 -37.751 -5.563 397 2HG1 VAL 48 HG13 VAL 48 -0.885 -37.440 -6.663 398 3HG1 VAL 48 HG11 VAL 48 -1.135 -37.327 -4.920 399 1HG2 VAL 48 HG21 VAL 48 -2.835 -40.354 -5.959 400 2HG2 VAL 48 HG22 VAL 48 -3.000 -38.857 -5.030 401 3HG2 VAL 48 HG23 VAL 48 -2.867 -38.791 -6.790 402 H LYS 49 HN LYS 49 -0.265 -42.266 -5.800 403 HA LYS 49 HA LYS 49 2.198 -42.314 -4.444 404 1HB LYS 49 HB1 LYS 49 0.703 -44.669 -5.628 405 2HB LYS 49 HB2 LYS 49 2.079 -44.829 -4.551 406 1HG LYS 49 HG1 LYS 49 0.852 -43.688 -2.755 407 2HG LYS 49 HG2 LYS 49 -0.524 -43.448 -3.828 408 1HD LYS 49 HD1 LYS 49 -0.772 -45.904 -4.056 409 2HD LYS 49 HD2 LYS 49 0.579 -46.140 -2.958 410 1HE LYS 49 HE1 LYS 49 -0.674 -44.972 -1.172 411 2HE LYS 49 HE2 LYS 49 -2.028 -44.745 -2.280 412 1HZ LYS 49 HZ1 LYS 49 -2.141 -47.144 -2.564 413 2HZ LYS 49 HZ2 LYS 49 -0.854 -47.352 -1.488 414 3HZ LYS 49 HZ3 LYS 49 -2.330 -46.740 -0.929 415 H ALA 50 HN ALA 50 1.693 -43.706 -7.722 416 HA ALA 50 HA ALA 50 4.399 -44.294 -8.320 417 1HB ALA 50 HB3 ALA 50 2.354 -45.025 -9.621 418 2HB ALA 50 HB1 ALA 50 2.132 -43.389 -10.170 419 3HB ALA 50 HB2 ALA 50 3.533 -44.320 -10.686 420 H PHE 51 HN PHE 51 2.535 -41.359 -9.187 421 HA PHE 51 HA PHE 51 4.613 -39.933 -10.433 422 1HB PHE 51 HB1 PHE 51 2.147 -39.524 -10.595 423 2HB PHE 51 HB2 PHE 51 2.162 -38.890 -8.973 424 HD1 PHE 51 HD1 PHE 51 3.759 -38.380 -12.315 425 HD2 PHE 51 HD2 PHE 51 2.599 -36.513 -8.642 426 HE1 PHE 51 HE1 PHE 51 3.922 -36.189 -13.387 427 HE2 PHE 51 HE2 PHE 51 2.455 -34.425 -9.809 428 HZ PHE 51 HZ PHE 51 3.283 -34.161 -12.120 429 H LYS 52 HN LYS 52 3.433 -39.603 -7.013 430 HA LYS 52 HA LYS 52 5.206 -37.492 -6.490 431 1HB LYS 52 HB1 LYS 52 3.228 -37.693 -5.162 432 2HB LYS 52 HB2 LYS 52 3.673 -39.278 -4.570 433 1HG LYS 52 HG1 LYS 52 5.608 -38.239 -3.342 434 2HG LYS 52 HG2 LYS 52 5.109 -36.672 -3.921 435 1HD LYS 52 HD1 LYS 52 3.330 -38.405 -2.183 436 2HD LYS 52 HD2 LYS 52 4.536 -37.339 -1.509 437 1HE LYS 52 HE1 LYS 52 2.728 -35.952 -1.381 438 2HE LYS 52 HE2 LYS 52 3.318 -35.496 -2.967 439 1HZ LYS 52 HZ2 LYS 52 1.819 -37.369 -3.790 440 2HZ LYS 52 HZ3 LYS 52 1.050 -37.268 -2.296 441 3HZ LYS 52 HZ1 LYS 52 1.050 -35.914 -3.363 442 H ASP 53 HN ASP 53 5.425 -41.121 -5.906 443 HA ASP 53 HA ASP 53 7.862 -40.839 -4.387 444 1HB ASP 53 HB1 ASP 53 6.367 -43.244 -5.404 445 2HB ASP 53 HB2 ASP 53 7.955 -43.387 -4.650 446 H CYS 54 HN CYS 54 7.292 -41.928 -7.815 447 HA CYS 54 HA CYS 54 9.985 -41.944 -8.562 448 1HB CYS 54 HB1 CYS 54 7.394 -41.558 -9.946 449 2HB CYS 54 HB2 CYS 54 8.803 -41.035 -10.821 450 H CYS 55 HN CYS 55 7.842 -38.979 -8.441 451 HA CYS 55 HA CYS 55 9.889 -37.271 -9.385 452 1HB CYS 55 HB1 CYS 55 8.387 -35.682 -9.433 453 2HB CYS 55 HB2 CYS 55 7.247 -36.942 -9.055 454 OH TYR 56 OH TYR 56 13.219 -38.339 0.993 455 H TYR 56 HN TYR 56 9.015 -38.036 -5.994 456 HA TYR 56 HA TYR 56 11.016 -36.560 -4.723 457 1HB TYR 56 HB1 TYR 56 9.171 -37.668 -3.569 458 2HB TYR 56 HB2 TYR 56 9.794 -39.243 -4.003 459 HD1 TYR 56 HD1 TYR 56 10.813 -40.361 -2.226 460 HD2 TYR 56 HD2 TYR 56 11.171 -36.130 -2.339 461 HE1 TYR 56 HE1 TYR 56 12.186 -40.427 -0.191 462 HE2 TYR 56 HE2 TYR 56 12.554 -36.210 -0.293 463 HH TYR 56 HH TYR 56 13.348 -39.245 1.278 464 H ILE 57 HN ILE 57 11.345 -39.922 -6.006 465 HA ILE 57 HA ILE 57 14.137 -40.060 -5.430 466 HB ILE 57 HB ILE 57 12.680 -41.694 -7.488 467 1HG1 ILE 57 HG11 ILE 57 11.436 -42.199 -5.631 468 2HG1 ILE 57 HG12 ILE 57 12.636 -43.468 -5.608 469 1HG2 ILE 57 HG21 ILE 57 15.259 -42.294 -6.003 470 2HG2 ILE 57 HG22 ILE 57 14.408 -43.426 -7.052 471 3HG2 ILE 57 HG23 ILE 57 15.095 -41.958 -7.719 472 1HD1 ILE 57 HD13 ILE 57 13.891 -42.169 -3.850 473 2HD1 ILE 57 HD11 ILE 57 12.591 -40.992 -3.872 474 3HD1 ILE 57 HD12 ILE 57 12.251 -42.629 -3.352 475 H ALA 58 HN ALA 58 12.474 -39.028 -8.325 476 HA ALA 58 HA ALA 58 14.656 -38.318 -9.966 477 1HB ALA 58 HB2 ALA 58 12.332 -38.131 -10.709 478 2HB ALA 58 HB3 ALA 58 12.077 -36.783 -9.609 479 3HB ALA 58 HB1 ALA 58 13.181 -36.609 -10.961 480 H ASN 59 HN ASN 59 13.162 -36.193 -7.458 481 HA ASN 59 HA ASN 59 15.155 -34.215 -7.435 482 1HB ASN 59 HB1 ASN 59 13.422 -35.242 -5.166 483 2HB ASN 59 HB2 ASN 59 14.484 -33.853 -5.002 484 1HD2 ASN 59 HD21 ASN 59 10.907 -33.253 -6.370 485 2HD2 ASN 59 HD22 ASN 59 11.442 -33.925 -4.867 486 H GLN 60 HN GLN 60 15.097 -37.149 -5.361 487 HA GLN 60 HA GLN 60 17.550 -36.758 -4.061 488 1HB GLN 60 HB1 GLN 60 15.825 -38.383 -3.399 489 2HB GLN 60 HB2 GLN 60 16.176 -39.348 -4.809 490 1HG GLN 60 HG1 GLN 60 18.612 -38.941 -3.206 491 2HG GLN 60 HG2 GLN 60 17.317 -39.600 -2.231 492 1HE2 GLN 60 HE21 GLN 60 19.170 -42.070 -4.741 493 2HE2 GLN 60 HE22 GLN 60 19.820 -40.486 -4.424 494 H VAL 61 HN VAL 61 17.040 -38.674 -7.083 495 HA VAL 61 HA VAL 61 19.807 -39.175 -7.510 496 HB VAL 61 HB VAL 61 17.444 -39.274 -9.389 497 1HG1 VAL 61 HG13 VAL 61 20.261 -40.278 -9.975 498 2HG1 VAL 61 HG11 VAL 61 18.834 -40.597 -10.955 499 3HG1 VAL 61 HG12 VAL 61 19.454 -38.963 -10.824 500 1HG2 VAL 61 HG22 VAL 61 17.460 -40.959 -7.602 501 2HG2 VAL 61 HG23 VAL 61 17.754 -41.726 -9.157 502 3HG2 VAL 61 HG21 VAL 61 19.092 -41.449 -8.045 503 NH1 ARG 62 NH1 ARG 62 15.520 -37.364 -15.083 504 NH2 ARG 62 NH2 ARG 62 14.866 -36.974 -13.054 505 H ARG 62 HN ARG 62 17.768 -36.525 -8.977 506 HA ARG 62 HA ARG 62 20.072 -35.498 -10.360 507 1HB ARG 62 HB1 ARG 62 17.268 -34.455 -10.089 508 2HB ARG 62 HB2 ARG 62 18.532 -33.621 -10.992 509 1HG ARG 62 HG1 ARG 62 18.856 -35.675 -12.391 510 2HG ARG 62 HG2 ARG 62 17.559 -36.466 -11.516 511 1HD ARG 62 HD1 ARG 62 15.996 -34.672 -12.302 512 2HD ARG 62 HD2 ARG 62 17.315 -33.991 -13.231 513 HE ARG 62 HE ARG 62 17.325 -35.958 -14.635 514 1HH1 ARG 62 HH12 ARG 62 16.127 -37.199 -15.846 515 2HH1 ARG 62 HH11 ARG 62 14.781 -38.025 -15.115 516 1HH2 ARG 62 HH22 ARG 62 15.033 -36.532 -12.185 517 2HH2 ARG 62 HH21 ARG 62 14.101 -37.614 -13.216 518 H ALA 63 HN ALA 63 18.901 -34.758 -7.093 519 HA ALA 63 HA ALA 63 20.670 -32.549 -6.766 520 1HB ALA 63 HB1 ALA 63 18.907 -33.080 -5.149 521 2HB ALA 63 HB2 ALA 63 19.696 -34.600 -4.747 522 3HB ALA 63 HB3 ALA 63 20.477 -33.068 -4.348 523 H GLU 64 HN GLU 64 21.276 -36.021 -6.690 524 HA GLU 64 HA GLU 64 24.072 -35.678 -5.888 525 1HB GLU 64 HB1 GLU 64 22.493 -38.161 -6.648 526 2HB GLU 64 HB2 GLU 64 24.148 -38.163 -6.054 527 1HG GLU 64 HG1 GLU 64 23.398 -37.244 -3.878 528 2HG GLU 64 HG2 GLU 64 21.746 -37.128 -4.474 529 H GLN 65 HN GLN 65 22.368 -36.919 -8.825 530 HA GLN 65 HA GLN 65 24.938 -36.651 -10.297 531 1HB GLN 65 HB1 GLN 65 22.579 -38.474 -10.874 532 2HB GLN 65 HB2 GLN 65 24.030 -38.385 -11.839 533 1HG GLN 65 HG1 GLN 65 23.888 -39.394 -8.964 534 2HG GLN 65 HG2 GLN 65 24.002 -40.405 -10.386 535 1HE2 GLN 65 HE21 GLN 65 27.502 -39.426 -10.825 536 2HE2 GLN 65 HE22 GLN 65 26.109 -39.618 -11.843 Start of MODEL 10 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 19.895 -43.725 -2.905 2 2H MET 1 HT1 MET 1 20.628 -42.833 -1.659 3 3H MET 1 HT3 MET 1 19.069 -42.434 -2.194 4 HA MET 1 HA MET 1 20.661 -40.895 -3.051 5 1HB MET 1 HB1 MET 1 21.954 -43.411 -4.133 6 2HB MET 1 HB2 MET 1 22.340 -41.825 -4.750 7 1HG MET 1 HG1 MET 1 22.750 -42.692 -1.868 8 2HG MET 1 HG2 MET 1 23.988 -42.669 -3.096 9 1HE MET 1 HE1 MET 1 24.597 -40.321 -4.463 10 2HE MET 1 HE2 MET 1 25.160 -39.116 -3.320 11 3HE MET 1 HE3 MET 1 25.696 -40.778 -3.143 12 H LEU 2 HN LEU 2 20.331 -39.863 -4.959 13 HA LEU 2 HA LEU 2 17.938 -40.199 -6.244 14 1HB LEU 2 HB1 LEU 2 18.467 -38.361 -7.622 15 2HB LEU 2 HB2 LEU 2 19.024 -38.071 -6.003 16 HG LEU 2 HG LEU 2 20.836 -38.732 -8.348 17 1HD1 LEU 2 HD11 LEU 2 19.729 -36.565 -8.626 18 2HD1 LEU 2 HD12 LEU 2 20.228 -36.079 -7.010 19 3HD1 LEU 2 HD13 LEU 2 21.432 -36.337 -8.267 20 1HD2 LEU 2 HD22 LEU 2 21.583 -37.676 -5.593 21 2HD2 LEU 2 HD23 LEU 2 21.948 -39.293 -6.191 22 3HD2 LEU 2 HD21 LEU 2 22.681 -37.895 -6.948 23 H GLN 3 HN GLN 3 21.075 -40.934 -7.721 24 HA GLN 3 HA GLN 3 20.141 -42.023 -10.149 25 1HB GLN 3 HB1 GLN 3 22.519 -41.310 -9.557 26 2HB GLN 3 HB2 GLN 3 22.682 -42.830 -8.697 27 1HG GLN 3 HG1 GLN 3 21.938 -43.915 -11.008 28 2HG GLN 3 HG2 GLN 3 22.359 -42.346 -11.670 29 1HE2 GLN 3 HE21 GLN 3 25.267 -44.924 -10.797 30 2HE2 GLN 3 HE22 GLN 3 23.579 -45.371 -10.668 31 H LYS 4 HN LYS 4 20.851 -43.606 -7.053 32 HA LYS 4 HA LYS 4 20.349 -46.243 -8.013 33 1HB LYS 4 HB1 LYS 4 21.807 -45.479 -5.973 34 2HB LYS 4 HB2 LYS 4 20.299 -45.543 -5.081 35 1HG LYS 4 HG1 LYS 4 21.327 -47.674 -4.752 36 2HG LYS 4 HG2 LYS 4 20.053 -47.958 -5.923 37 1HD LYS 4 HD1 LYS 4 21.971 -47.566 -7.714 38 2HD LYS 4 HD2 LYS 4 23.038 -47.835 -6.360 39 1HE LYS 4 HE1 LYS 4 22.312 -50.065 -6.067 40 2HE LYS 4 HE2 LYS 4 20.877 -49.818 -7.068 41 1HZ LYS 4 HZ1 LYS 4 23.682 -49.608 -8.026 42 2HZ LYS 4 HZ2 LYS 4 22.644 -50.907 -8.347 43 3HZ LYS 4 HZ3 LYS 4 22.316 -49.365 -9.014 44 H LYS 5 HN LYS 5 18.233 -43.901 -6.306 45 HA LYS 5 HA LYS 5 16.056 -45.714 -6.383 46 1HB LYS 5 HB1 LYS 5 16.354 -42.885 -5.631 47 2HB LYS 5 HB2 LYS 5 14.744 -43.365 -6.133 48 1HG LYS 5 HG1 LYS 5 16.323 -44.736 -3.931 49 2HG LYS 5 HG2 LYS 5 15.095 -43.506 -3.669 50 1HD LYS 5 HD1 LYS 5 13.450 -45.006 -4.886 51 2HD LYS 5 HD2 LYS 5 14.675 -46.257 -4.901 52 1HE LYS 5 HE1 LYS 5 14.740 -46.154 -2.407 53 2HE LYS 5 HE2 LYS 5 13.357 -45.059 -2.477 54 1HZ LYS 5 HZ3 LYS 5 12.287 -46.841 -4.015 55 2HZ LYS 5 HZ1 LYS 5 13.528 -47.878 -3.566 56 3HZ LYS 5 HZ2 LYS 5 12.482 -47.255 -2.348 57 H ILE 6 HN ILE 6 16.793 -43.165 -8.930 58 HA ILE 6 HA ILE 6 14.638 -44.092 -10.503 59 HB ILE 6 HB ILE 6 16.171 -43.766 -12.593 60 1HG1 ILE 6 HG11 ILE 6 17.580 -41.774 -10.893 61 2HG1 ILE 6 HG12 ILE 6 18.228 -43.382 -11.131 62 1HG2 ILE 6 HG22 ILE 6 14.892 -41.526 -11.078 63 2HG2 ILE 6 HG23 ILE 6 15.419 -41.426 -12.750 64 3HG2 ILE 6 HG21 ILE 6 14.164 -42.551 -12.314 65 1HD1 ILE 6 HD13 ILE 6 18.256 -43.035 -13.586 66 2HD1 ILE 6 HD11 ILE 6 17.624 -41.406 -13.372 67 3HD1 ILE 6 HD12 ILE 6 19.215 -41.819 -12.751 68 H GLU 7 HN GLU 7 17.933 -45.532 -10.229 69 HA GLU 7 HA GLU 7 17.460 -47.762 -11.874 70 1HB GLU 7 HB1 GLU 7 19.119 -47.571 -9.357 71 2HB GLU 7 HB2 GLU 7 19.086 -48.989 -10.379 72 1HG GLU 7 HG1 GLU 7 20.087 -47.789 -12.245 73 2HG GLU 7 HG2 GLU 7 19.948 -46.256 -11.400 74 H GLU 8 HN GLU 8 16.886 -47.785 -8.249 75 HA GLU 8 HA GLU 8 15.816 -50.411 -8.415 76 1HB GLU 8 HB1 GLU 8 16.903 -49.156 -6.448 77 2HB GLU 8 HB2 GLU 8 15.369 -48.379 -6.183 78 1HG GLU 8 HG1 GLU 8 15.248 -51.364 -6.217 79 2HG GLU 8 HG2 GLU 8 16.231 -50.692 -4.940 80 H GLU 9 HN GLU 9 13.915 -47.327 -8.588 81 HA GLU 9 HA GLU 9 11.470 -48.977 -8.846 82 1HB GLU 9 HB1 GLU 9 11.969 -46.193 -8.173 83 2HB GLU 9 HB2 GLU 9 10.696 -46.390 -9.355 84 1HG GLU 9 HG1 GLU 9 9.661 -46.494 -7.147 85 2HG GLU 9 HG2 GLU 9 9.585 -48.083 -7.847 86 H ALA 10 HN ALA 10 13.105 -46.670 -11.171 87 HA ALA 10 HA ALA 10 11.588 -47.895 -13.325 88 1HB ALA 10 HB1 ALA 10 13.854 -45.911 -13.364 89 2HB ALA 10 HB2 ALA 10 12.923 -46.400 -14.777 90 3HB ALA 10 HB3 ALA 10 12.127 -45.552 -13.460 91 H ALA 11 HN ALA 11 14.439 -49.373 -11.858 92 HA ALA 11 HA ALA 11 14.743 -51.108 -14.071 93 1HB ALA 11 HB3 ALA 11 15.021 -51.686 -11.086 94 2HB ALA 11 HB1 ALA 11 15.533 -52.788 -12.383 95 3HB ALA 11 HB2 ALA 11 16.282 -51.205 -12.193 96 H LYS 12 HN LYS 12 12.345 -51.246 -11.432 97 HA LYS 12 HA LYS 12 11.351 -53.810 -12.371 98 1HB LYS 12 HB1 LYS 12 9.915 -53.825 -10.405 99 2HB LYS 12 HB2 LYS 12 11.607 -53.623 -10.018 100 1HG LYS 12 HG1 LYS 12 11.294 -51.296 -9.477 101 2HG LYS 12 HG2 LYS 12 9.665 -51.297 -10.114 102 1HD LYS 12 HD1 LYS 12 9.342 -51.364 -7.801 103 2HD LYS 12 HD2 LYS 12 9.122 -53.023 -8.281 104 1HE LYS 12 HE1 LYS 12 10.367 -53.057 -6.270 105 2HE LYS 12 HE2 LYS 12 11.496 -53.479 -7.552 106 1HZ LYS 12 HZ3 LYS 12 11.142 -50.661 -6.544 107 2HZ LYS 12 HZ1 LYS 12 12.339 -51.676 -5.950 108 3HZ LYS 12 HZ2 LYS 12 12.355 -51.192 -7.589 109 OH TYR 13 OH TYR 13 11.176 -46.833 -18.607 110 H TYR 13 HN TYR 13 11.012 -52.497 -14.369 111 HA TYR 13 HA TYR 13 8.918 -50.813 -14.948 112 1HB TYR 13 HB1 TYR 13 10.722 -52.583 -16.437 113 2HB TYR 13 HB2 TYR 13 9.175 -52.450 -17.232 114 HD1 TYR 13 HD1 TYR 13 11.259 -49.851 -15.320 115 HD2 TYR 13 HD2 TYR 13 9.375 -50.945 -18.996 116 HE1 TYR 13 HE1 TYR 13 11.825 -47.701 -16.279 117 HE2 TYR 13 HE2 TYR 13 9.934 -48.748 -19.918 118 HH TYR 13 HH TYR 13 10.923 -46.787 -19.534 119 H LYS 14 HN LYS 14 8.564 -54.208 -14.435 120 HA LYS 14 HA LYS 14 5.892 -54.685 -15.114 121 1HB LYS 14 HB1 LYS 14 7.541 -56.371 -14.374 122 2HB LYS 14 HB2 LYS 14 7.588 -55.662 -12.779 123 1HG LYS 14 HG1 LYS 14 6.331 -57.681 -12.646 124 2HG LYS 14 HG2 LYS 14 5.201 -56.363 -12.437 125 1HD LYS 14 HD1 LYS 14 4.448 -56.614 -14.775 126 2HD LYS 14 HD2 LYS 14 5.621 -57.903 -15.023 127 1HE LYS 14 HE1 LYS 14 4.499 -59.252 -13.278 128 2HE LYS 14 HE2 LYS 14 3.339 -57.949 -13.019 129 1HZ LYS 14 HZ1 LYS 14 3.805 -59.354 -15.590 130 2HZ LYS 14 HZ2 LYS 14 2.473 -59.604 -14.573 131 3HZ LYS 14 HZ3 LYS 14 2.694 -58.107 -15.335 132 OH TYR 15 OH TYR 15 5.212 -56.945 -7.156 133 H TYR 15 HN TYR 15 7.160 -52.924 -12.254 134 HA TYR 15 HA TYR 15 4.462 -52.626 -11.153 135 1HB TYR 15 HB1 TYR 15 7.197 -51.945 -10.121 136 2HB TYR 15 HB2 TYR 15 5.757 -51.268 -9.381 137 HD1 TYR 15 HD1 TYR 15 7.670 -54.364 -9.907 138 HD2 TYR 15 HD2 TYR 15 4.053 -52.783 -8.364 139 HE1 TYR 15 HE1 TYR 15 7.282 -56.461 -8.685 140 HE2 TYR 15 HE2 TYR 15 3.672 -54.891 -7.125 141 HH TYR 15 HH TYR 15 5.920 -57.569 -7.318 142 H ALA 16 HN ALA 16 3.759 -51.804 -12.897 143 HA ALA 16 HA ALA 16 4.574 -49.736 -14.482 144 1HB ALA 16 HB3 ALA 16 2.911 -51.384 -15.150 145 2HB ALA 16 HB1 ALA 16 1.752 -50.739 -13.995 146 3HB ALA 16 HB2 ALA 16 2.247 -49.770 -15.378 147 H MET 17 HN MET 17 2.224 -49.426 -11.876 148 HA MET 17 HA MET 17 1.725 -46.641 -12.174 149 1HB MET 17 HB1 MET 17 1.349 -48.479 -9.785 150 2HB MET 17 HB2 MET 17 0.777 -46.824 -9.859 151 1HG MET 17 HG1 MET 17 -0.665 -47.393 -11.792 152 2HG MET 17 HG2 MET 17 -0.099 -49.049 -11.738 153 1HE MET 17 HE1 MET 17 -1.874 -46.243 -9.552 154 2HE MET 17 HE2 MET 17 -2.949 -46.821 -10.844 155 3HE MET 17 HE3 MET 17 -3.324 -47.148 -9.161 156 H LEU 18 HN LEU 18 4.278 -48.358 -10.435 157 HA LEU 18 HA LEU 18 4.938 -46.036 -8.805 158 1HB LEU 18 HB1 LEU 18 6.300 -48.743 -8.954 159 2HB LEU 18 HB2 LEU 18 6.609 -47.494 -7.762 160 HG LEU 18 HG LEU 18 3.999 -49.003 -8.101 161 1HD1 LEU 18 HD12 LEU 18 5.765 -50.395 -7.138 162 2HD1 LEU 18 HD13 LEU 18 6.105 -49.162 -5.931 163 3HD1 LEU 18 HD11 LEU 18 4.561 -50.005 -5.919 164 1HD2 LEU 18 HD21 LEU 18 4.766 -46.926 -6.030 165 2HD2 LEU 18 HD22 LEU 18 3.557 -46.723 -7.290 166 3HD2 LEU 18 HD23 LEU 18 3.290 -47.896 -6.002 167 H LYS 19 HN LYS 19 6.774 -47.900 -11.350 168 HA LYS 19 HA LYS 19 8.505 -45.661 -11.630 169 1HB LYS 19 HB1 LYS 19 9.633 -46.816 -13.108 170 2HB LYS 19 HB2 LYS 19 8.628 -48.156 -12.654 171 1HG LYS 19 HG1 LYS 19 8.066 -46.434 -15.096 172 2HG LYS 19 HG2 LYS 19 9.131 -47.803 -15.110 173 1HD LYS 19 HD1 LYS 19 7.240 -49.277 -14.404 174 2HD LYS 19 HD2 LYS 19 6.168 -47.889 -14.532 175 1HE LYS 19 HE1 LYS 19 6.540 -47.663 -16.871 176 2HE LYS 19 HE2 LYS 19 7.912 -48.760 -16.844 177 1HZ LYS 19 HZ1 LYS 19 6.375 -50.604 -16.182 178 2HZ LYS 19 HZ2 LYS 19 5.091 -49.476 -16.304 179 3HZ LYS 19 HZ3 LYS 19 5.975 -49.893 -17.672 180 H LYS 20 HN LYS 20 5.221 -46.066 -13.134 181 HA LYS 20 HA LYS 20 5.455 -43.663 -14.625 182 1HB LYS 20 HB1 LYS 20 3.609 -45.438 -14.731 183 2HB LYS 20 HB2 LYS 20 2.914 -44.679 -13.326 184 1HG LYS 20 HG1 LYS 20 3.452 -42.754 -15.490 185 2HG LYS 20 HG2 LYS 20 2.374 -44.041 -15.989 186 1HD LYS 20 HD1 LYS 20 0.913 -43.538 -14.025 187 2HD LYS 20 HD2 LYS 20 1.969 -42.208 -13.600 188 1HE LYS 20 HE1 LYS 20 0.462 -42.415 -16.223 189 2HE LYS 20 HE2 LYS 20 -0.107 -41.533 -14.811 190 1HZ LYS 20 HZ1 LYS 20 1.958 -40.157 -14.852 191 2HZ LYS 20 HZ2 LYS 20 2.447 -41.023 -16.233 192 3HZ LYS 20 HZ3 LYS 20 1.072 -40.043 -16.310 193 H CYS 21 HN CYS 21 4.446 -44.053 -11.061 194 HA CYS 21 HA CYS 21 4.301 -41.381 -10.416 195 1HB CYS 21 HB1 CYS 21 5.541 -43.661 -8.888 196 2HB CYS 21 HB2 CYS 21 5.364 -42.063 -8.207 197 H CYS 22 HN CYS 22 7.401 -43.215 -10.597 198 HA CYS 22 HA CYS 22 9.303 -41.087 -10.590 199 1HB CYS 22 HB1 CYS 22 9.602 -43.651 -10.945 200 2HB CYS 22 HB2 CYS 22 9.721 -43.130 -12.583 201 OH TYR 23 OH TYR 23 11.751 -45.127 -16.734 202 H TYR 23 HN TYR 23 7.577 -42.094 -13.452 203 HA TYR 23 HA TYR 23 8.743 -39.881 -14.819 204 1HB TYR 23 HB1 TYR 23 6.661 -41.810 -15.700 205 2HB TYR 23 HB2 TYR 23 7.609 -40.751 -16.729 206 HD1 TYR 23 HD1 TYR 23 10.147 -41.859 -14.163 207 HD2 TYR 23 HD2 TYR 23 7.594 -43.476 -17.235 208 HE1 TYR 23 HE1 TYR 23 11.898 -43.306 -14.928 209 HE2 TYR 23 HE2 TYR 23 9.402 -45.045 -17.859 210 HH TYR 23 HH TYR 23 11.483 -45.736 -17.465 211 H ASP 24 HN ASP 24 5.576 -40.154 -13.296 212 HA ASP 24 HA ASP 24 4.608 -37.542 -13.787 213 1HB ASP 24 HB1 ASP 24 4.410 -39.030 -11.135 214 2HB ASP 24 HB2 ASP 24 3.493 -37.636 -11.633 215 H GLY 25 HN GLY 25 7.054 -38.513 -11.330 216 1HA GLY 25 HA1 GLY 25 7.692 -35.843 -10.535 217 2HA GLY 25 HA2 GLY 25 8.726 -37.233 -10.338 218 H ALA 26 HN ALA 26 9.170 -37.862 -13.046 219 HA ALA 26 HA ALA 26 11.201 -36.095 -13.829 220 1HB ALA 26 HB3 ALA 26 11.161 -38.418 -14.550 221 2HB ALA 26 HB1 ALA 26 9.751 -38.101 -15.562 222 3HB ALA 26 HB2 ALA 26 11.294 -37.348 -15.941 223 OH TYR 27 OH TYR 27 7.613 -37.869 -21.453 224 H TYR 27 HN TYR 27 7.864 -36.192 -15.232 225 HA TYR 27 HA TYR 27 8.397 -33.946 -16.939 226 1HB TYR 27 HB1 TYR 27 5.865 -35.367 -16.135 227 2HB TYR 27 HB2 TYR 27 5.812 -33.928 -17.129 228 HD1 TYR 27 HD1 TYR 27 6.801 -37.473 -17.039 229 HD2 TYR 27 HD2 TYR 27 6.787 -33.958 -19.426 230 HE1 TYR 27 HE1 TYR 27 7.304 -38.820 -19.032 231 HE2 TYR 27 HE2 TYR 27 7.303 -35.321 -21.416 232 HH TYR 27 HH TYR 27 7.683 -38.797 -21.224 233 NH1 ARG 28 NH1 ARG 28 10.231 -27.899 -9.348 234 NH2 ARG 28 NH2 ARG 28 8.183 -28.663 -9.469 235 H ARG 28 HN ARG 28 9.428 -32.686 -15.032 236 HA ARG 28 HA ARG 28 7.753 -31.345 -13.190 237 1HB ARG 28 HB1 ARG 28 10.619 -31.193 -13.965 238 2HB ARG 28 HB2 ARG 28 9.965 -29.831 -13.089 239 1HG ARG 28 HG1 ARG 28 9.630 -32.680 -12.088 240 2HG ARG 28 HG2 ARG 28 11.028 -31.704 -11.695 241 1HD ARG 28 HD1 ARG 28 8.196 -30.827 -11.079 242 2HD ARG 28 HD2 ARG 28 9.221 -31.698 -9.949 243 HE ARG 28 HE ARG 28 10.817 -29.611 -10.770 244 1HH1 ARG 28 HH12 ARG 28 11.186 -27.971 -9.603 245 2HH1 ARG 28 HH11 ARG 28 9.893 -27.119 -8.787 246 1HH2 ARG 28 HH22 ARG 28 7.542 -29.338 -9.809 247 2HH2 ARG 28 HH21 ARG 28 7.860 -27.885 -8.949 248 H ASN 29 HN ASN 29 6.319 -30.757 -15.253 249 HA ASN 29 HA ASN 29 6.833 -28.346 -16.640 250 1HB ASN 29 HB1 ASN 29 5.204 -30.336 -17.134 251 2HB ASN 29 HB2 ASN 29 4.047 -29.446 -16.170 252 1HD2 ASN 29 HD21 ASN 29 3.597 -26.933 -18.624 253 2HD2 ASN 29 HD22 ASN 29 4.517 -26.720 -17.158 254 H ASP 30 HN ASP 30 5.344 -28.648 -13.414 255 HA ASP 30 HA ASP 30 4.212 -26.009 -13.427 256 1HB ASP 30 HB1 ASP 30 3.764 -26.304 -11.080 257 2HB ASP 30 HB2 ASP 30 3.404 -27.814 -11.897 258 H ASP 31 HN ASP 31 7.403 -27.119 -12.891 259 HA ASP 31 HA ASP 31 9.324 -26.301 -12.209 260 1HB ASP 31 HB1 ASP 31 8.120 -24.007 -13.676 261 2HB ASP 31 HB2 ASP 31 9.656 -23.752 -12.860 262 H GLU 32 HN GLU 32 6.801 -24.699 -10.354 263 HA GLU 32 HA GLU 32 8.621 -23.626 -8.461 264 1HB GLU 32 HB1 GLU 32 6.738 -23.324 -6.954 265 2HB GLU 32 HB2 GLU 32 6.487 -22.686 -8.553 266 1HG GLU 32 HG1 GLU 32 4.508 -23.765 -8.710 267 2HG GLU 32 HG2 GLU 32 5.320 -25.313 -8.577 268 H THR 33 HN THR 33 6.651 -25.814 -6.499 269 HA THR 33 HA THR 33 9.143 -27.242 -5.882 270 HB THR 33 HB THR 33 8.160 -27.786 -3.712 271 HG1 THR 33 HG1 THR 33 5.906 -26.282 -4.668 272 1HG2 THR 33 HG22 THR 33 9.396 -25.676 -3.844 273 2HG2 THR 33 HG23 THR 33 7.908 -24.836 -4.294 274 3HG2 THR 33 HG21 THR 33 8.046 -25.581 -2.707 275 H CYS 34 HN CYS 34 9.344 -29.362 -6.059 276 HA CYS 34 HA CYS 34 7.477 -31.134 -7.219 277 1HB CYS 34 HB1 CYS 34 9.886 -31.501 -7.253 278 2HB CYS 34 HB2 CYS 34 9.939 -31.626 -5.510 279 H GLU 35 HN GLU 35 8.219 -30.439 -3.858 280 HA GLU 35 HA GLU 35 6.768 -32.586 -2.712 281 1HB GLU 35 HB1 GLU 35 7.850 -29.988 -1.542 282 2HB GLU 35 HB2 GLU 35 7.122 -31.243 -0.567 283 1HG GLU 35 HG1 GLU 35 9.500 -31.498 -0.374 284 2HG GLU 35 HG2 GLU 35 8.919 -32.837 -1.325 285 H GLU 36 HN GLU 36 5.551 -29.246 -3.407 286 HA GLU 36 HA GLU 36 3.093 -29.629 -1.973 287 1HB GLU 36 HB1 GLU 36 4.097 -27.436 -2.787 288 2HB GLU 36 HB2 GLU 36 3.566 -27.843 -4.390 289 1HG GLU 36 HG1 GLU 36 1.635 -27.524 -2.053 290 2HG GLU 36 HG2 GLU 36 2.102 -26.206 -3.099 291 NH1 ARG 37 NH1 ARG 37 5.424 -33.387 -12.642 292 NH2 ARG 37 NH2 ARG 37 5.314 -31.282 -12.260 293 H ARG 37 HN ARG 37 3.815 -29.816 -5.398 294 HA ARG 37 HA ARG 37 1.727 -31.151 -6.563 295 1HB ARG 37 HB1 ARG 37 3.667 -30.230 -7.687 296 2HB ARG 37 HB2 ARG 37 4.737 -31.326 -6.854 297 1HG ARG 37 HG1 ARG 37 3.800 -33.216 -8.231 298 2HG ARG 37 HG2 ARG 37 2.869 -32.029 -9.142 299 1HD ARG 37 HD1 ARG 37 4.934 -30.834 -9.740 300 2HD ARG 37 HD2 ARG 37 5.884 -31.935 -8.767 301 HE ARG 37 HE ARG 37 5.209 -33.748 -10.402 302 1HH1 ARG 37 HH12 ARG 37 5.448 -34.378 -12.388 303 2HH1 ARG 37 HH11 ARG 37 5.569 -33.119 -13.603 304 1HH2 ARG 37 HH22 ARG 37 5.296 -30.471 -11.642 305 2HH2 ARG 37 HH21 ARG 37 5.379 -31.209 -13.240 306 H ALA 38 HN ALA 38 4.562 -32.935 -5.124 307 HA ALA 38 HA ALA 38 2.987 -35.338 -5.025 308 1HB ALA 38 HB2 ALA 38 5.832 -34.780 -4.413 309 2HB ALA 38 HB3 ALA 38 5.057 -36.377 -4.257 310 3HB ALA 38 HB1 ALA 38 5.012 -35.557 -5.817 311 H ALA 39 HN ALA 39 3.304 -32.919 -2.438 312 HA ALA 39 HA ALA 39 2.105 -34.625 -0.545 313 1HB ALA 39 HB2 ALA 39 2.807 -32.335 -0.013 314 2HB ALA 39 HB3 ALA 39 1.561 -31.686 -1.073 315 3HB ALA 39 HB1 ALA 39 1.105 -32.560 0.391 316 NH1 ARG 40 NH1 ARG 40 -2.711 -27.895 -2.291 317 NH2 ARG 40 NH2 ARG 40 -4.268 -29.404 -1.924 318 H ARG 40 HN ARG 40 0.632 -33.023 -3.369 319 HA ARG 40 HA ARG 40 -1.975 -34.160 -2.931 320 1HB ARG 40 HB1 ARG 40 -0.796 -33.339 -5.595 321 2HB ARG 40 HB2 ARG 40 -2.497 -33.494 -5.203 322 1HG ARG 40 HG1 ARG 40 -0.600 -31.414 -4.052 323 2HG ARG 40 HG2 ARG 40 -1.720 -31.138 -5.361 324 1HD ARG 40 HD1 ARG 40 -3.621 -31.407 -3.905 325 2HD ARG 40 HD2 ARG 40 -2.578 -31.875 -2.550 326 HE ARG 40 HE ARG 40 -1.577 -29.416 -3.467 327 1HH1 ARG 40 HH12 ARG 40 -1.810 -27.714 -2.725 328 2HH1 ARG 40 HH11 ARG 40 -3.218 -27.218 -1.783 329 1HH2 ARG 40 HH22 ARG 40 -4.580 -30.330 -2.064 330 2HH2 ARG 40 HH21 ARG 40 -4.779 -28.734 -1.408 331 H ILE 41 HN ILE 41 0.657 -35.369 -5.095 332 HA ILE 41 HA ILE 41 -0.577 -37.836 -5.531 333 HB ILE 41 HB ILE 41 2.373 -37.360 -6.087 334 1HG1 ILE 41 HG11 ILE 41 0.927 -37.573 -8.445 335 2HG1 ILE 41 HG12 ILE 41 -0.194 -36.660 -7.428 336 1HG2 ILE 41 HG21 ILE 41 0.565 -39.536 -6.866 337 2HG2 ILE 41 HG22 ILE 41 2.198 -39.066 -7.500 338 3HG2 ILE 41 HG23 ILE 41 1.990 -39.652 -5.816 339 1HD1 ILE 41 HD13 ILE 41 2.694 -36.011 -7.525 340 2HD1 ILE 41 HD11 ILE 41 1.545 -35.292 -8.706 341 3HD1 ILE 41 HD12 ILE 41 1.403 -34.985 -6.969 342 H LYS 42 HN LYS 42 -1.238 -38.498 -4.006 343 HA LYS 42 HA LYS 42 -0.056 -39.118 -1.401 344 1HB LYS 42 HB1 LYS 42 -2.470 -38.160 -2.126 345 2HB LYS 42 HB2 LYS 42 -2.894 -39.851 -2.111 346 1HG LYS 42 HG1 LYS 42 -3.467 -39.179 0.048 347 2HG LYS 42 HG2 LYS 42 -1.888 -39.892 0.291 348 1HD LYS 42 HD1 LYS 42 -1.753 -37.904 1.521 349 2HD LYS 42 HD2 LYS 42 -0.967 -37.462 0.020 350 1HE LYS 42 HE1 LYS 42 -3.249 -36.542 -0.740 351 2HE LYS 42 HE2 LYS 42 -3.763 -36.751 0.933 352 1HZ LYS 42 HZ2 LYS 42 -1.770 -35.447 1.582 353 2HZ LYS 42 HZ3 LYS 42 -1.420 -35.141 -0.072 354 3HZ LYS 42 HZ1 LYS 42 -2.858 -34.545 0.646 355 H ILE 43 HN ILE 43 -0.056 -41.017 -4.106 356 HA ILE 43 HA ILE 43 -1.745 -43.183 -3.506 357 HB ILE 43 HB ILE 43 0.509 -42.974 -5.488 358 1HG1 ILE 43 HG11 ILE 43 -1.083 -41.263 -5.984 359 2HG1 ILE 43 HG12 ILE 43 -1.165 -42.503 -7.200 360 1HG2 ILE 43 HG22 ILE 43 -1.683 -45.052 -5.482 361 2HG2 ILE 43 HG23 ILE 43 -0.581 -44.745 -6.822 362 3HG2 ILE 43 HG21 ILE 43 0.041 -45.333 -5.293 363 1HD1 ILE 43 HD13 ILE 43 -3.280 -43.361 -6.196 364 2HD1 ILE 43 HD11 ILE 43 -3.200 -42.102 -4.968 365 3HD1 ILE 43 HD12 ILE 43 -3.405 -41.671 -6.657 366 H GLY 44 HN GLY 44 1.818 -43.093 -2.998 367 1HA GLY 44 HA1 GLY 44 1.570 -44.884 -0.823 368 2HA GLY 44 HA2 GLY 44 2.116 -45.791 -2.213 369 HA PRO 45 HA PRO 45 5.747 -43.676 0.341 370 1HB PRO 45 HB1 PRO 45 6.303 -46.639 0.706 371 2HB PRO 45 HB2 PRO 45 6.724 -45.273 1.756 372 1HG PRO 45 HG1 PRO 45 4.594 -46.688 2.378 373 2HG PRO 45 HG2 PRO 45 4.439 -44.918 2.379 374 1HD PRO 45 HD1 PRO 45 3.612 -46.889 0.221 375 2HD PRO 45 HD2 PRO 45 2.699 -45.536 0.925 376 H LYS 46 HN LYS 46 6.116 -46.680 -1.572 377 HA LYS 46 HA LYS 46 8.530 -45.951 -2.849 378 1HB LYS 46 HB1 LYS 46 6.453 -48.049 -3.369 379 2HB LYS 46 HB2 LYS 46 7.649 -47.716 -4.604 380 1HG LYS 46 HG1 LYS 46 9.454 -48.109 -2.901 381 2HG LYS 46 HG2 LYS 46 8.217 -48.616 -1.760 382 1HD LYS 46 HD1 LYS 46 7.592 -50.489 -3.100 383 2HD LYS 46 HD2 LYS 46 8.453 -49.895 -4.499 384 1HE LYS 46 HE1 LYS 46 9.755 -50.928 -1.967 385 2HE LYS 46 HE2 LYS 46 9.568 -51.829 -3.468 386 1HZ LYS 46 HZ1 LYS 46 10.756 -49.833 -4.570 387 2HZ LYS 46 HZ2 LYS 46 11.184 -49.398 -3.003 388 3HZ LYS 46 HZ3 LYS 46 11.738 -50.852 -3.659 389 H CYS 47 HN CYS 47 5.235 -45.093 -3.675 390 HA CYS 47 HA CYS 47 5.786 -44.108 -6.310 391 1HB CYS 47 HB1 CYS 47 3.510 -44.699 -5.743 392 2HB CYS 47 HB2 CYS 47 3.507 -43.582 -4.401 393 H VAL 48 HN VAL 48 5.040 -42.103 -3.324 394 HA VAL 48 HA VAL 48 6.153 -39.898 -4.158 395 HB VAL 48 HB VAL 48 7.018 -40.095 -1.363 396 1HG1 VAL 48 HG11 VAL 48 6.235 -37.993 -2.655 397 2HG1 VAL 48 HG12 VAL 48 4.660 -38.794 -2.784 398 3HG1 VAL 48 HG13 VAL 48 5.256 -38.255 -1.208 399 1HG2 VAL 48 HG22 VAL 48 5.575 -41.855 -1.081 400 2HG2 VAL 48 HG23 VAL 48 4.992 -40.417 -0.234 401 3HG2 VAL 48 HG21 VAL 48 4.212 -40.943 -1.727 402 H LYS 49 HN LYS 49 8.183 -42.461 -2.665 403 HA LYS 49 HA LYS 49 10.638 -41.125 -2.995 404 1HB LYS 49 HB1 LYS 49 9.847 -43.932 -2.516 405 2HB LYS 49 HB2 LYS 49 11.449 -43.716 -3.178 406 1HG LYS 49 HG1 LYS 49 10.488 -42.268 -0.687 407 2HG LYS 49 HG2 LYS 49 11.272 -43.830 -0.635 408 1HD LYS 49 HD1 LYS 49 13.220 -42.703 -0.477 409 2HD LYS 49 HD2 LYS 49 13.051 -42.381 -2.185 410 1HE LYS 49 HE1 LYS 49 11.738 -40.247 -1.427 411 2HE LYS 49 HE2 LYS 49 12.461 -40.567 0.145 412 1HZ LYS 49 HZ3 LYS 49 14.638 -40.656 -0.945 413 2HZ LYS 49 HZ1 LYS 49 13.963 -40.315 -2.475 414 3HZ LYS 49 HZ2 LYS 49 13.902 -39.156 -1.217 415 H ALA 50 HN ALA 50 9.271 -43.450 -5.400 416 HA ALA 50 HA ALA 50 11.107 -43.085 -7.515 417 1HB ALA 50 HB2 ALA 50 9.129 -44.644 -7.426 418 2HB ALA 50 HB3 ALA 50 8.064 -43.295 -7.674 419 3HB ALA 50 HB1 ALA 50 9.186 -43.787 -8.942 420 H PHE 51 HN PHE 51 8.182 -41.185 -6.785 421 HA PHE 51 HA PHE 51 8.318 -39.190 -8.722 422 1HB PHE 51 HB1 PHE 51 6.548 -39.854 -6.867 423 2HB PHE 51 HB2 PHE 51 7.372 -38.679 -5.879 424 HD1 PHE 51 HD1 PHE 51 7.653 -36.241 -7.032 425 HD2 PHE 51 HD2 PHE 51 4.640 -39.071 -8.068 426 HE1 PHE 51 HE1 PHE 51 6.468 -34.547 -8.329 427 HE2 PHE 51 HE2 PHE 51 3.466 -37.426 -9.233 428 HZ PHE 51 HZ PHE 51 4.367 -35.148 -9.500 429 H LYS 52 HN LYS 52 9.511 -38.896 -5.334 430 HA LYS 52 HA LYS 52 10.557 -36.311 -5.651 431 1HB LYS 52 HB1 LYS 52 10.001 -37.871 -3.526 432 2HB LYS 52 HB2 LYS 52 11.721 -38.168 -3.586 433 1HG LYS 52 HG1 LYS 52 12.019 -35.605 -3.535 434 2HG LYS 52 HG2 LYS 52 10.304 -35.514 -3.163 435 1HD LYS 52 HD1 LYS 52 10.787 -37.160 -1.246 436 2HD LYS 52 HD2 LYS 52 12.482 -36.863 -1.554 437 1HE LYS 52 HE1 LYS 52 10.432 -34.878 -0.585 438 2HE LYS 52 HE2 LYS 52 11.770 -35.555 0.328 439 1HZ LYS 52 HZ1 LYS 52 13.292 -34.486 -1.503 440 2HZ LYS 52 HZ2 LYS 52 11.851 -33.555 -1.892 441 3HZ LYS 52 HZ3 LYS 52 12.528 -33.473 -0.361 442 H ASP 53 HN ASP 53 12.248 -39.514 -5.984 443 HA ASP 53 HA ASP 53 14.771 -38.141 -6.380 444 1HB ASP 53 HB1 ASP 53 13.975 -41.031 -6.392 445 2HB ASP 53 HB2 ASP 53 15.587 -40.517 -6.895 446 H CYS 54 HN CYS 54 12.534 -39.767 -8.758 447 HA CYS 54 HA CYS 54 13.807 -38.785 -11.028 448 1HB CYS 54 HB1 CYS 54 11.056 -39.540 -10.296 449 2HB CYS 54 HB2 CYS 54 11.169 -38.473 -11.665 450 H CYS 55 HN CYS 55 11.526 -36.821 -8.941 451 HA CYS 55 HA CYS 55 11.821 -34.391 -10.250 452 1HB CYS 55 HB1 CYS 55 11.605 -34.983 -7.316 453 2HB CYS 55 HB2 CYS 55 11.797 -33.342 -7.877 454 OH TYR 56 OH TYR 56 14.602 -34.890 -1.856 455 H TYR 56 HN TYR 56 14.128 -35.618 -7.743 456 HA TYR 56 HA TYR 56 16.007 -33.554 -8.017 457 1HB TYR 56 HB1 TYR 56 16.593 -36.456 -7.416 458 2HB TYR 56 HB2 TYR 56 17.689 -35.121 -7.136 459 HD1 TYR 56 HD1 TYR 56 16.880 -37.074 -5.053 460 HD2 TYR 56 HD2 TYR 56 15.115 -33.313 -6.009 461 HE1 TYR 56 HE1 TYR 56 16.017 -36.890 -2.784 462 HE2 TYR 56 HE2 TYR 56 14.245 -33.160 -3.740 463 HH TYR 56 HH TYR 56 14.979 -35.608 -1.334 464 H ILE 57 HN ILE 57 15.923 -36.571 -9.968 465 HA ILE 57 HA ILE 57 17.994 -35.868 -11.760 466 HB ILE 57 HB ILE 57 15.475 -37.411 -12.414 467 1HG1 ILE 57 HG11 ILE 57 16.386 -38.596 -10.617 468 2HG1 ILE 57 HG12 ILE 57 16.850 -39.474 -12.051 469 1HG2 ILE 57 HG23 ILE 57 18.131 -37.466 -13.877 470 2HG2 ILE 57 HG21 ILE 57 16.791 -38.569 -14.170 471 3HG2 ILE 57 HG22 ILE 57 16.604 -36.859 -14.500 472 1HD1 ILE 57 HD12 ILE 57 19.129 -38.461 -11.909 473 2HD1 ILE 57 HD13 ILE 57 18.613 -37.625 -10.443 474 3HD1 ILE 57 HD11 ILE 57 18.706 -39.384 -10.463 475 H ALA 58 HN ALA 58 14.567 -35.253 -12.170 476 HA ALA 58 HA ALA 58 14.569 -33.627 -14.486 477 1HB ALA 58 HB1 ALA 58 12.569 -34.508 -13.505 478 2HB ALA 58 HB2 ALA 58 12.744 -33.449 -12.114 479 3HB ALA 58 HB3 ALA 58 12.448 -32.770 -13.715 480 H ASN 59 HN ASN 59 14.870 -32.489 -11.093 481 HA ASN 59 HA ASN 59 15.306 -29.779 -11.695 482 1HB ASN 59 HB1 ASN 59 14.717 -30.843 -9.436 483 2HB ASN 59 HB2 ASN 59 16.441 -31.105 -9.234 484 1HD2 ASN 59 HD21 ASN 59 17.238 -28.195 -8.158 485 2HD2 ASN 59 HD22 ASN 59 17.690 -28.563 -9.795 486 H GLN 60 HN GLN 60 17.765 -32.370 -11.305 487 HA GLN 60 HA GLN 60 20.034 -30.805 -11.903 488 1HB GLN 60 HB1 GLN 60 20.072 -33.092 -10.982 489 2HB GLN 60 HB2 GLN 60 19.437 -33.724 -12.480 490 1HG GLN 60 HG1 GLN 60 21.825 -34.196 -12.314 491 2HG GLN 60 HG2 GLN 60 21.555 -33.093 -13.647 492 1HE2 GLN 60 HE21 GLN 60 23.867 -30.846 -12.312 493 2HE2 GLN 60 HE22 GLN 60 23.104 -31.522 -13.735 494 H VAL 61 HN VAL 61 17.931 -32.613 -14.171 495 HA VAL 61 HA VAL 61 19.171 -31.804 -16.562 496 HB VAL 61 HB VAL 61 16.328 -32.667 -16.018 497 1HG1 VAL 61 HG13 VAL 61 17.629 -32.427 -18.757 498 2HG1 VAL 61 HG11 VAL 61 16.074 -33.173 -18.419 499 3HG1 VAL 61 HG12 VAL 61 16.282 -31.448 -18.187 500 1HG2 VAL 61 HG21 VAL 61 18.712 -34.137 -17.211 501 2HG2 VAL 61 HG22 VAL 61 18.029 -34.388 -15.607 502 3HG2 VAL 61 HG23 VAL 61 17.092 -34.806 -17.033 503 NH1 ARG 62 NH1 ARG 62 12.975 -26.672 -9.881 504 NH2 ARG 62 NH2 ARG 62 11.872 -25.943 -11.621 505 H ARG 62 HN ARG 62 16.260 -30.183 -15.086 506 HA ARG 62 HA ARG 62 16.195 -28.158 -17.065 507 1HB ARG 62 HB1 ARG 62 14.514 -27.076 -15.835 508 2HB ARG 62 HB2 ARG 62 14.264 -28.798 -15.657 509 1HG ARG 62 HG1 ARG 62 15.380 -28.651 -13.402 510 2HG ARG 62 HG2 ARG 62 15.408 -26.907 -13.567 511 1HD ARG 62 HD1 ARG 62 12.936 -26.898 -13.790 512 2HD ARG 62 HD2 ARG 62 12.921 -28.628 -13.478 513 HE ARG 62 HE ARG 62 14.267 -27.862 -11.303 514 1HH1 ARG 62 HH12 ARG 62 13.704 -27.274 -9.497 515 2HH1 ARG 62 HH11 ARG 62 12.425 -26.067 -9.322 516 1HH2 ARG 62 HH22 ARG 62 11.717 -25.927 -12.618 517 2HH2 ARG 62 HH21 ARG 62 11.299 -25.380 -11.009 518 H ALA 63 HN ALA 63 18.091 -28.215 -14.085 519 HA ALA 63 HA ALA 63 18.990 -25.519 -14.178 520 1HB ALA 63 HB3 ALA 63 19.230 -26.944 -12.194 521 2HB ALA 63 HB1 ALA 63 20.320 -28.017 -13.065 522 3HB ALA 63 HB2 ALA 63 20.809 -26.359 -12.711 523 H GLU 64 HN GLU 64 20.100 -28.389 -15.899 524 HA GLU 64 HA GLU 64 22.296 -26.967 -17.199 525 1HB GLU 64 HB1 GLU 64 21.170 -29.765 -17.525 526 2HB GLU 64 HB2 GLU 64 22.526 -29.155 -18.462 527 1HG GLU 64 HG1 GLU 64 23.871 -28.854 -16.426 528 2HG GLU 64 HG2 GLU 64 22.504 -29.285 -15.410 529 H GLN 65 HN GLN 65 19.205 -28.437 -18.354 530 HA GLN 65 HA GLN 65 18.781 -26.238 -20.155 531 1HB GLN 65 HB1 GLN 65 18.924 -27.245 -22.272 532 2HB GLN 65 HB2 GLN 65 20.437 -27.538 -21.466 533 1HG GLN 65 HG1 GLN 65 18.265 -29.617 -21.974 534 2HG GLN 65 HG2 GLN 65 19.781 -29.462 -22.832 535 1HE2 GLN 65 HE21 GLN 65 19.795 -31.258 -19.209 536 2HE2 GLN 65 HE22 GLN 65 18.412 -30.291 -19.650 Start of MODEL 11 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 22.314 -44.758 -1.871 2 2H MET 1 HT3 MET 1 23.425 -43.829 -0.986 3 3H MET 1 HT2 MET 1 21.763 -43.515 -0.870 4 HA MET 1 HA MET 1 22.816 -41.894 -2.267 5 1HB MET 1 HB1 MET 1 23.686 -44.333 -3.842 6 2HB MET 1 HB2 MET 1 23.765 -42.699 -4.467 7 1HG MET 1 HG1 MET 1 25.318 -42.056 -2.657 8 2HG MET 1 HG2 MET 1 25.272 -43.690 -2.021 9 1HE MET 1 HE3 MET 1 25.935 -45.863 -3.717 10 2HE MET 1 HE1 MET 1 27.620 -45.679 -4.165 11 3HE MET 1 HE2 MET 1 27.131 -45.322 -2.518 12 H LEU 2 HN LEU 2 21.733 -40.945 -4.010 13 HA LEU 2 HA LEU 2 18.961 -41.669 -4.255 14 1HB LEU 2 HB1 LEU 2 20.502 -39.516 -5.750 15 2HB LEU 2 HB2 LEU 2 18.771 -39.607 -5.516 16 HG LEU 2 HG LEU 2 20.780 -39.106 -3.300 17 1HD1 LEU 2 HD12 LEU 2 20.660 -37.235 -4.883 18 2HD1 LEU 2 HD13 LEU 2 18.906 -37.208 -4.740 19 3HD1 LEU 2 HD11 LEU 2 19.909 -36.796 -3.354 20 1HD2 LEU 2 HD23 LEU 2 17.750 -38.949 -3.256 21 2HD2 LEU 2 HD21 LEU 2 18.725 -40.146 -2.412 22 3HD2 LEU 2 HD22 LEU 2 18.820 -38.456 -1.943 23 H GLN 3 HN GLN 3 21.728 -41.896 -6.289 24 HA GLN 3 HA GLN 3 20.591 -42.277 -8.832 25 1HB GLN 3 HB1 GLN 3 23.291 -43.153 -7.763 26 2HB GLN 3 HB2 GLN 3 22.845 -43.117 -9.453 27 1HG GLN 3 HG1 GLN 3 24.160 -41.168 -9.098 28 2HG GLN 3 HG2 GLN 3 22.514 -40.593 -9.211 29 1HE2 GLN 3 HE21 GLN 3 23.554 -38.761 -6.308 30 2HE2 GLN 3 HE22 GLN 3 23.348 -38.576 -8.021 31 H LYS 4 HN LYS 4 21.846 -44.692 -6.554 32 HA LYS 4 HA LYS 4 20.995 -46.954 -8.034 33 1HB LYS 4 HB1 LYS 4 21.619 -48.305 -6.244 34 2HB LYS 4 HB2 LYS 4 22.805 -47.029 -6.360 35 1HG LYS 4 HG1 LYS 4 21.602 -45.877 -4.418 36 2HG LYS 4 HG2 LYS 4 20.633 -47.328 -4.265 37 1HD LYS 4 HD1 LYS 4 23.648 -47.266 -4.032 38 2HD LYS 4 HD2 LYS 4 22.547 -47.250 -2.678 39 1HE LYS 4 HE1 LYS 4 22.780 -49.536 -4.662 40 2HE LYS 4 HE2 LYS 4 23.596 -49.459 -3.114 41 1HZ LYS 4 HZ1 LYS 4 21.385 -49.211 -2.063 42 2HZ LYS 4 HZ2 LYS 4 20.584 -49.491 -3.542 43 3HZ LYS 4 HZ3 LYS 4 21.575 -50.685 -2.862 44 H LYS 5 HN LYS 5 19.237 -44.975 -5.669 45 HA LYS 5 HA LYS 5 17.031 -46.773 -5.497 46 1HB LYS 5 HB1 LYS 5 17.242 -43.904 -4.673 47 2HB LYS 5 HB2 LYS 5 15.831 -44.908 -4.408 48 1HG LYS 5 HG1 LYS 5 17.765 -46.563 -3.391 49 2HG LYS 5 HG2 LYS 5 18.547 -45.020 -3.136 50 1HD LYS 5 HD1 LYS 5 17.424 -45.508 -1.119 51 2HD LYS 5 HD2 LYS 5 16.461 -44.283 -1.908 52 1HE LYS 5 HE1 LYS 5 14.953 -45.884 -0.980 53 2HE LYS 5 HE2 LYS 5 14.906 -46.096 -2.720 54 1HZ LYS 5 HZ1 LYS 5 16.581 -47.707 -0.879 55 2HZ LYS 5 HZ2 LYS 5 15.097 -48.211 -1.508 56 3HZ LYS 5 HZ3 LYS 5 16.429 -48.043 -2.538 57 H ILE 6 HN ILE 6 17.524 -43.978 -7.714 58 HA ILE 6 HA ILE 6 15.117 -44.315 -9.192 59 HB ILE 6 HB ILE 6 17.712 -44.063 -10.730 60 1HG1 ILE 6 HG11 ILE 6 16.400 -41.528 -9.886 61 2HG1 ILE 6 HG12 ILE 6 17.497 -42.309 -8.754 62 1HG2 ILE 6 HG23 ILE 6 15.618 -44.323 -12.076 63 2HG2 ILE 6 HG21 ILE 6 14.897 -42.961 -11.280 64 3HG2 ILE 6 HG22 ILE 6 16.275 -42.724 -12.314 65 1HD1 ILE 6 HD12 ILE 6 19.256 -42.379 -10.487 66 2HD1 ILE 6 HD13 ILE 6 18.185 -41.562 -11.607 67 3HD1 ILE 6 HD11 ILE 6 18.726 -40.732 -10.150 68 H GLU 7 HN GLU 7 18.248 -45.969 -9.598 69 HA GLU 7 HA GLU 7 17.440 -47.860 -11.520 70 1HB GLU 7 HB1 GLU 7 19.801 -47.223 -10.837 71 2HB GLU 7 HB2 GLU 7 19.589 -48.225 -9.419 72 1HG GLU 7 HG1 GLU 7 20.831 -49.519 -11.041 73 2HG GLU 7 HG2 GLU 7 19.228 -50.225 -10.958 74 H GLU 8 HN GLU 8 17.385 -48.329 -7.909 75 HA GLU 8 HA GLU 8 16.219 -50.892 -7.988 76 1HB GLU 8 HB1 GLU 8 15.960 -48.669 -5.933 77 2HB GLU 8 HB2 GLU 8 15.333 -50.277 -5.670 78 1HG GLU 8 HG1 GLU 8 17.457 -51.257 -5.464 79 2HG GLU 8 HG2 GLU 8 18.251 -49.997 -6.380 80 H GLU 9 HN GLU 9 14.386 -47.763 -8.078 81 HA GLU 9 HA GLU 9 11.848 -49.242 -8.280 82 1HB GLU 9 HB1 GLU 9 12.398 -46.289 -8.495 83 2HB GLU 9 HB2 GLU 9 10.814 -47.037 -8.456 84 1HG GLU 9 HG1 GLU 9 12.877 -47.089 -6.195 85 2HG GLU 9 HG2 GLU 9 11.417 -46.130 -6.220 86 H ALA 10 HN ALA 10 13.619 -47.188 -10.669 87 HA ALA 10 HA ALA 10 12.114 -48.366 -12.868 88 1HB ALA 10 HB2 ALA 10 14.617 -46.673 -12.805 89 2HB ALA 10 HB3 ALA 10 13.732 -47.126 -14.262 90 3HB ALA 10 HB1 ALA 10 12.954 -46.116 -13.041 91 H ALA 11 HN ALA 11 14.838 -50.024 -11.214 92 HA ALA 11 HA ALA 11 14.897 -51.964 -13.242 93 1HB ALA 11 HB1 ALA 11 14.917 -52.372 -10.221 94 2HB ALA 11 HB2 ALA 11 15.388 -53.587 -11.419 95 3HB ALA 11 HB3 ALA 11 16.313 -52.095 -11.242 96 H LYS 12 HN LYS 12 12.370 -51.266 -10.908 97 HA LYS 12 HA LYS 12 10.922 -53.742 -11.285 98 1HB LYS 12 HB1 LYS 12 10.235 -51.215 -9.773 99 2HB LYS 12 HB2 LYS 12 9.300 -52.689 -9.726 100 1HG LYS 12 HG1 LYS 12 11.253 -53.875 -8.706 101 2HG LYS 12 HG2 LYS 12 12.148 -52.363 -8.723 102 1HD LYS 12 HD1 LYS 12 10.301 -51.349 -7.313 103 2HD LYS 12 HD2 LYS 12 9.604 -52.952 -7.170 104 1HE LYS 12 HE1 LYS 12 10.851 -52.755 -5.199 105 2HE LYS 12 HE2 LYS 12 11.914 -53.672 -6.253 106 1HZ LYS 12 HZ1 LYS 12 12.962 -51.490 -6.934 107 2HZ LYS 12 HZ2 LYS 12 12.058 -50.674 -5.754 108 3HZ LYS 12 HZ3 LYS 12 13.164 -51.885 -5.284 109 OH TYR 13 OH TYR 13 12.220 -47.724 -18.233 110 H TYR 13 HN TYR 13 11.121 -52.900 -13.700 111 HA TYR 13 HA TYR 13 8.995 -51.355 -14.778 112 1HB TYR 13 HB1 TYR 13 11.008 -53.284 -15.837 113 2HB TYR 13 HB2 TYR 13 9.581 -53.052 -16.818 114 HD1 TYR 13 HD1 TYR 13 11.612 -50.479 -14.761 115 HD2 TYR 13 HD2 TYR 13 10.171 -51.699 -18.604 116 HE1 TYR 13 HE1 TYR 13 12.491 -48.472 -15.758 117 HE2 TYR 13 HE2 TYR 13 11.055 -49.609 -19.559 118 HH TYR 13 HH TYR 13 12.500 -47.107 -17.516 119 H LYS 14 HN LYS 14 8.970 -54.643 -13.657 120 HA LYS 14 HA LYS 14 6.348 -55.400 -14.399 121 1HB LYS 14 HB1 LYS 14 8.111 -56.856 -13.363 122 2HB LYS 14 HB2 LYS 14 7.879 -56.021 -11.839 123 1HG LYS 14 HG1 LYS 14 5.529 -56.852 -11.762 124 2HG LYS 14 HG2 LYS 14 5.792 -57.706 -13.275 125 1HD LYS 14 HD1 LYS 14 7.611 -59.019 -12.200 126 2HD LYS 14 HD2 LYS 14 7.328 -58.179 -10.693 127 1HE LYS 14 HE1 LYS 14 5.295 -59.941 -12.084 128 2HE LYS 14 HE2 LYS 14 6.354 -60.471 -10.786 129 1HZ LYS 14 HZ3 LYS 14 5.372 -58.715 -9.313 130 2HZ LYS 14 HZ1 LYS 14 4.379 -58.271 -10.614 131 3HZ LYS 14 HZ2 LYS 14 4.198 -59.796 -9.915 132 OH TYR 15 OH TYR 15 5.928 -58.075 -8.047 133 H TYR 15 HN TYR 15 7.445 -53.395 -11.624 134 HA TYR 15 HA TYR 15 4.648 -52.909 -10.868 135 1HB TYR 15 HB1 TYR 15 7.152 -52.189 -9.332 136 2HB TYR 15 HB2 TYR 15 5.501 -51.938 -8.789 137 HD1 TYR 15 HD1 TYR 15 8.182 -54.227 -8.617 138 HD2 TYR 15 HD2 TYR 15 3.953 -54.164 -8.991 139 HE1 TYR 15 HE1 TYR 15 8.103 -56.606 -8.062 140 HE2 TYR 15 HE2 TYR 15 3.881 -56.555 -8.419 141 HH TYR 15 HH TYR 15 6.807 -58.385 -7.800 142 H ALA 16 HN ALA 16 4.463 -52.094 -12.800 143 HA ALA 16 HA ALA 16 5.671 -49.977 -14.071 144 1HB ALA 16 HB1 ALA 16 2.819 -50.990 -14.307 145 2HB ALA 16 HB2 ALA 16 3.630 -49.973 -15.494 146 3HB ALA 16 HB3 ALA 16 4.227 -51.597 -15.172 147 H MET 17 HN MET 17 2.938 -49.769 -11.852 148 HA MET 17 HA MET 17 2.329 -47.026 -12.158 149 1HB MET 17 HB1 MET 17 1.928 -48.883 -9.797 150 2HB MET 17 HB2 MET 17 1.279 -47.258 -9.888 151 1HG MET 17 HG1 MET 17 -0.026 -47.878 -11.905 152 2HG MET 17 HG2 MET 17 0.613 -49.507 -11.822 153 1HE MET 17 HE3 MET 17 -1.381 -46.792 -9.708 154 2HE MET 17 HE1 MET 17 -2.372 -47.393 -11.056 155 3HE MET 17 HE2 MET 17 -2.814 -47.755 -9.397 156 H LEU 18 HN LEU 18 4.811 -48.586 -10.186 157 HA LEU 18 HA LEU 18 5.359 -46.128 -8.692 158 1HB LEU 18 HB1 LEU 18 6.668 -48.861 -8.486 159 2HB LEU 18 HB2 LEU 18 6.891 -47.519 -7.377 160 HG LEU 18 HG LEU 18 4.286 -49.013 -7.846 161 1HD1 LEU 18 HD13 LEU 18 5.912 -50.353 -6.621 162 2HD1 LEU 18 HD11 LEU 18 6.165 -49.030 -5.480 163 3HD1 LEU 18 HD12 LEU 18 4.607 -49.847 -5.553 164 1HD2 LEU 18 HD23 LEU 18 4.907 -46.788 -5.886 165 2HD2 LEU 18 HD21 LEU 18 3.832 -46.666 -7.270 166 3HD2 LEU 18 HD22 LEU 18 3.407 -47.722 -5.924 167 H LYS 19 HN LYS 19 7.242 -48.287 -10.884 168 HA LYS 19 HA LYS 19 9.149 -46.293 -11.412 169 1HB LYS 19 HB1 LYS 19 9.849 -48.262 -12.319 170 2HB LYS 19 HB2 LYS 19 8.249 -48.859 -12.602 171 1HG LYS 19 HG1 LYS 19 9.349 -46.838 -14.556 172 2HG LYS 19 HG2 LYS 19 9.954 -48.471 -14.570 173 1HD LYS 19 HD1 LYS 19 7.766 -49.402 -14.939 174 2HD LYS 19 HD2 LYS 19 6.995 -47.843 -14.725 175 1HE LYS 19 HE1 LYS 19 8.055 -47.004 -16.758 176 2HE LYS 19 HE2 LYS 19 8.910 -48.533 -16.964 177 1HZ LYS 19 HZ3 LYS 19 5.965 -48.219 -16.820 178 2HZ LYS 19 HZ1 LYS 19 6.840 -48.487 -18.249 179 3HZ LYS 19 HZ2 LYS 19 6.796 -49.675 -17.044 180 H LYS 20 HN LYS 20 5.850 -46.492 -13.127 181 HA LYS 20 HA LYS 20 6.539 -44.181 -14.644 182 1HB LYS 20 HB1 LYS 20 4.456 -44.107 -15.530 183 2HB LYS 20 HB2 LYS 20 4.636 -45.799 -15.146 184 1HG LYS 20 HG1 LYS 20 2.500 -45.543 -14.415 185 2HG LYS 20 HG2 LYS 20 3.322 -45.089 -12.937 186 1HD LYS 20 HD1 LYS 20 3.168 -42.647 -13.840 187 2HD LYS 20 HD2 LYS 20 1.993 -43.293 -14.966 188 1HE LYS 20 HE1 LYS 20 0.480 -43.888 -13.240 189 2HE LYS 20 HE2 LYS 20 1.722 -43.737 -11.989 190 1HZ LYS 20 HZ1 LYS 20 1.952 -41.356 -12.512 191 2HZ LYS 20 HZ2 LYS 20 0.746 -41.508 -13.694 192 3HZ LYS 20 HZ3 LYS 20 0.342 -41.729 -12.058 193 H CYS 21 HN CYS 21 5.211 -44.423 -11.243 194 HA CYS 21 HA CYS 21 4.938 -41.697 -10.813 195 1HB CYS 21 HB1 CYS 21 4.482 -43.748 -9.337 196 2HB CYS 21 HB2 CYS 21 6.153 -43.614 -8.829 197 H CYS 22 HN CYS 22 8.030 -43.561 -10.525 198 HA CYS 22 HA CYS 22 9.959 -41.458 -10.565 199 1HB CYS 22 HB1 CYS 22 10.259 -44.037 -10.716 200 2HB CYS 22 HB2 CYS 22 10.442 -43.652 -12.381 201 OH TYR 23 OH TYR 23 12.769 -45.914 -16.410 202 H TYR 23 HN TYR 23 8.430 -42.697 -13.439 203 HA TYR 23 HA TYR 23 9.654 -40.576 -14.890 204 1HB TYR 23 HB1 TYR 23 7.636 -42.568 -15.768 205 2HB TYR 23 HB2 TYR 23 8.637 -41.567 -16.799 206 HD1 TYR 23 HD1 TYR 23 11.012 -42.553 -14.000 207 HD2 TYR 23 HD2 TYR 23 8.697 -44.245 -17.232 208 HE1 TYR 23 HE1 TYR 23 12.795 -44.021 -14.577 209 HE2 TYR 23 HE2 TYR 23 10.542 -45.833 -17.670 210 HH TYR 23 HH TYR 23 13.528 -45.682 -15.867 211 H ASP 24 HN ASP 24 6.405 -40.647 -13.479 212 HA ASP 24 HA ASP 24 5.569 -38.065 -14.238 213 1HB ASP 24 HB1 ASP 24 5.263 -39.362 -11.492 214 2HB ASP 24 HB2 ASP 24 4.530 -37.867 -11.989 215 H GLY 25 HN GLY 25 7.764 -38.848 -11.505 216 1HA GLY 25 HA1 GLY 25 8.560 -36.214 -10.889 217 2HA GLY 25 HA2 GLY 25 9.532 -37.635 -10.605 218 H ALA 26 HN ALA 26 10.020 -38.375 -13.286 219 HA ALA 26 HA ALA 26 12.002 -36.575 -14.218 220 1HB ALA 26 HB2 ALA 26 12.042 -38.951 -14.800 221 2HB ALA 26 HB3 ALA 26 10.585 -38.755 -15.774 222 3HB ALA 26 HB1 ALA 26 12.078 -37.959 -16.253 223 OH TYR 27 OH TYR 27 9.027 -38.657 -21.816 224 H TYR 27 HN TYR 27 8.662 -37.022 -15.571 225 HA TYR 27 HA TYR 27 8.957 -34.702 -17.254 226 1HB TYR 27 HB1 TYR 27 6.626 -36.500 -16.609 227 2HB TYR 27 HB2 TYR 27 6.421 -35.063 -17.586 228 HD1 TYR 27 HD1 TYR 27 7.834 -38.445 -17.494 229 HD2 TYR 27 HD2 TYR 27 7.578 -34.895 -19.813 230 HE1 TYR 27 HE1 TYR 27 8.652 -39.667 -19.485 231 HE2 TYR 27 HE2 TYR 27 8.399 -36.114 -21.775 232 HH TYR 27 HH TYR 27 9.088 -38.072 -22.572 233 NH1 ARG 28 NH1 ARG 28 13.054 -28.578 -11.733 234 NH2 ARG 28 NH2 ARG 28 13.002 -29.887 -9.995 235 H ARG 28 HN ARG 28 9.724 -33.541 -15.159 236 HA ARG 28 HA ARG 28 7.589 -32.209 -13.661 237 1HB ARG 28 HB1 ARG 28 9.852 -33.040 -12.752 238 2HB ARG 28 HB2 ARG 28 10.535 -31.612 -13.507 239 1HG ARG 28 HG1 ARG 28 8.837 -30.242 -12.144 240 2HG ARG 28 HG2 ARG 28 8.497 -31.720 -11.263 241 1HD ARG 28 HD1 ARG 28 10.093 -30.501 -9.977 242 2HD ARG 28 HD2 ARG 28 10.977 -31.839 -10.720 243 HE ARG 28 HE ARG 28 11.135 -29.591 -12.459 244 1HH1 ARG 28 HH12 ARG 28 12.611 -28.234 -12.585 245 2HH1 ARG 28 HH11 ARG 28 13.914 -28.233 -11.386 246 1HH2 ARG 28 HH22 ARG 28 12.559 -30.599 -9.472 247 2HH2 ARG 28 HH21 ARG 28 13.877 -29.463 -9.712 248 H ASN 29 HN ASN 29 7.134 -31.590 -16.214 249 HA ASN 29 HA ASN 29 8.595 -29.450 -17.395 250 1HB ASN 29 HB1 ASN 29 7.054 -31.262 -18.465 251 2HB ASN 29 HB2 ASN 29 5.729 -30.180 -18.092 252 1HD2 ASN 29 HD21 ASN 29 6.591 -27.862 -20.601 253 2HD2 ASN 29 HD22 ASN 29 6.841 -27.610 -18.893 254 H ASP 30 HN ASP 30 5.967 -29.422 -15.163 255 HA ASP 30 HA ASP 30 5.199 -26.690 -15.241 256 1HB ASP 30 HB1 ASP 30 4.366 -27.175 -12.911 257 2HB ASP 30 HB2 ASP 30 3.871 -28.391 -14.077 258 H ASP 31 HN ASP 31 8.003 -28.204 -13.800 259 HA ASP 31 HA ASP 31 9.467 -27.687 -12.180 260 1HB ASP 31 HB1 ASP 31 9.482 -25.261 -13.960 261 2HB ASP 31 HB2 ASP 31 10.680 -25.510 -12.696 262 H GLU 32 HN GLU 32 6.850 -27.217 -10.982 263 HA GLU 32 HA GLU 32 7.464 -25.125 -9.049 264 1HB GLU 32 HB1 GLU 32 5.479 -25.704 -7.886 265 2HB GLU 32 HB2 GLU 32 5.122 -25.730 -9.597 266 1HG GLU 32 HG1 GLU 32 5.239 -28.225 -9.591 267 2HG GLU 32 HG2 GLU 32 5.570 -28.207 -7.866 268 H THR 33 HN THR 33 7.213 -26.194 -6.488 269 HA THR 33 HA THR 33 9.491 -27.894 -6.145 270 HB THR 33 HB THR 33 8.647 -27.932 -3.709 271 HG1 THR 33 HG1 THR 33 7.349 -25.999 -3.309 272 1HG2 THR 33 HG21 THR 33 10.534 -26.523 -4.458 273 2HG2 THR 33 HG22 THR 33 9.389 -25.283 -4.976 274 3HG2 THR 33 HG23 THR 33 9.539 -25.688 -3.268 275 H CYS 34 HN CYS 34 9.535 -30.031 -6.268 276 HA CYS 34 HA CYS 34 7.316 -31.332 -7.399 277 1HB CYS 34 HB1 CYS 34 8.708 -33.321 -7.547 278 2HB CYS 34 HB2 CYS 34 9.414 -31.884 -8.228 279 H GLU 35 HN GLU 35 8.356 -31.373 -4.091 280 HA GLU 35 HA GLU 35 6.749 -33.629 -3.316 281 1HB GLU 35 HB1 GLU 35 6.934 -32.828 -0.978 282 2HB GLU 35 HB2 GLU 35 8.434 -33.189 -1.774 283 1HG GLU 35 HG1 GLU 35 7.432 -30.322 -1.474 284 2HG GLU 35 HG2 GLU 35 8.378 -31.119 -0.234 285 H GLU 36 HN GLU 36 5.845 -30.273 -3.904 286 HA GLU 36 HA GLU 36 3.266 -30.536 -2.589 287 1HB GLU 36 HB1 GLU 36 4.041 -28.491 -4.696 288 2HB GLU 36 HB2 GLU 36 2.704 -28.397 -3.568 289 1HG GLU 36 HG1 GLU 36 5.666 -28.095 -2.969 290 2HG GLU 36 HG2 GLU 36 4.412 -26.891 -2.805 291 NH1 ARG 37 NH1 ARG 37 4.207 -34.808 -13.231 292 NH2 ARG 37 NH2 ARG 37 5.171 -32.872 -13.393 293 H ARG 37 HN ARG 37 4.366 -30.550 -5.951 294 HA ARG 37 HA ARG 37 2.034 -31.488 -7.200 295 1HB ARG 37 HB1 ARG 37 3.949 -30.638 -8.464 296 2HB ARG 37 HB2 ARG 37 4.924 -32.009 -7.958 297 1HG ARG 37 HG1 ARG 37 3.472 -33.538 -9.181 298 2HG ARG 37 HG2 ARG 37 2.373 -32.239 -9.601 299 1HD ARG 37 HD1 ARG 37 3.940 -31.311 -11.138 300 2HD ARG 37 HD2 ARG 37 5.262 -32.294 -10.503 301 HE ARG 37 HE ARG 37 3.023 -33.888 -11.438 302 1HH1 ARG 37 HH12 ARG 37 3.598 -35.435 -12.775 303 2HH1 ARG 37 HH11 ARG 37 4.674 -35.022 -14.078 304 1HH2 ARG 37 HH22 ARG 37 5.265 -31.903 -13.101 305 2HH2 ARG 37 HH21 ARG 37 5.639 -33.215 -14.223 306 H ALA 38 HN ALA 38 4.732 -33.550 -5.873 307 HA ALA 38 HA ALA 38 3.067 -35.826 -6.146 308 1HB ALA 38 HB3 ALA 38 5.795 -35.563 -5.040 309 2HB ALA 38 HB1 ALA 38 4.882 -37.088 -5.117 310 3HB ALA 38 HB2 ALA 38 5.171 -36.185 -6.594 311 H ALA 39 HN ALA 39 3.220 -33.695 -3.287 312 HA ALA 39 HA ALA 39 1.543 -35.317 -1.752 313 1HB ALA 39 HB2 ALA 39 2.373 -33.148 -0.979 314 2HB ALA 39 HB3 ALA 39 1.380 -32.319 -2.174 315 3HB ALA 39 HB1 ALA 39 0.615 -33.208 -0.856 316 NH1 ARG 40 NH1 ARG 40 0.419 -29.253 -8.618 317 NH2 ARG 40 NH2 ARG 40 0.914 -28.957 -6.508 318 H ARG 40 HN ARG 40 0.560 -33.326 -4.609 319 HA ARG 40 HA ARG 40 -2.090 -34.405 -4.623 320 1HB ARG 40 HB1 ARG 40 -0.474 -33.127 -6.814 321 2HB ARG 40 HB2 ARG 40 -2.063 -33.793 -7.122 322 1HG ARG 40 HG1 ARG 40 -2.888 -31.776 -6.574 323 2HG ARG 40 HG2 ARG 40 -2.552 -32.192 -4.914 324 1HD ARG 40 HD1 ARG 40 -1.656 -30.026 -5.236 325 2HD ARG 40 HD2 ARG 40 -0.270 -31.121 -5.207 326 HE ARG 40 HE ARG 40 -1.241 -30.719 -7.890 327 1HH1 ARG 40 HH12 ARG 40 -0.142 -29.662 -9.318 328 2HH1 ARG 40 HH11 ARG 40 1.191 -28.641 -8.848 329 1HH2 ARG 40 HH22 ARG 40 0.726 -29.175 -5.564 330 2HH2 ARG 40 HH21 ARG 40 1.668 -28.338 -6.779 331 H ILE 41 HN ILE 41 0.721 -35.671 -6.566 332 HA ILE 41 HA ILE 41 -0.523 -38.018 -7.357 333 HB ILE 41 HB ILE 41 2.484 -37.493 -7.068 334 1HG1 ILE 41 HG11 ILE 41 1.777 -38.028 -9.690 335 2HG1 ILE 41 HG12 ILE 41 0.380 -37.127 -9.073 336 1HG2 ILE 41 HG21 ILE 41 1.525 -40.028 -8.099 337 2HG2 ILE 41 HG22 ILE 41 3.089 -39.177 -8.233 338 3HG2 ILE 41 HG23 ILE 41 2.500 -39.732 -6.641 339 1HD1 ILE 41 HD11 ILE 41 3.157 -36.248 -8.554 340 2HD1 ILE 41 HD12 ILE 41 2.247 -35.703 -10.002 341 3HD1 ILE 41 HD13 ILE 41 1.694 -35.307 -8.371 342 H LYS 42 HN LYS 42 1.450 -37.965 -4.403 343 HA LYS 42 HA LYS 42 1.906 -40.052 -3.296 344 1HB LYS 42 HB1 LYS 42 1.505 -37.862 -2.162 345 2HB LYS 42 HB2 LYS 42 -0.131 -38.395 -1.831 346 1HG LYS 42 HG1 LYS 42 0.732 -40.273 -0.478 347 2HG LYS 42 HG2 LYS 42 2.386 -39.798 -0.848 348 1HD LYS 42 HD1 LYS 42 1.990 -37.612 0.266 349 2HD LYS 42 HD2 LYS 42 0.346 -38.112 0.642 350 1HE LYS 42 HE1 LYS 42 1.229 -39.995 1.986 351 2HE LYS 42 HE2 LYS 42 2.876 -39.480 1.618 352 1HZ LYS 42 HZ3 LYS 42 0.805 -37.827 2.952 353 2HZ LYS 42 HZ1 LYS 42 2.114 -38.561 3.737 354 3HZ LYS 42 HZ2 LYS 42 2.382 -37.331 2.603 355 H ILE 43 HN ILE 43 0.639 -41.235 -4.896 356 HA ILE 43 HA ILE 43 -1.424 -42.987 -3.961 357 HB ILE 43 HB ILE 43 0.826 -43.609 -5.909 358 1HG1 ILE 43 HG11 ILE 43 -2.066 -43.028 -6.584 359 2HG1 ILE 43 HG12 ILE 43 -0.895 -41.740 -6.456 360 1HG2 ILE 43 HG21 ILE 43 -1.739 -45.174 -5.422 361 2HG2 ILE 43 HG22 ILE 43 -0.590 -45.497 -6.713 362 3HG2 ILE 43 HG23 ILE 43 -0.116 -45.736 -5.048 363 1HD1 ILE 43 HD13 ILE 43 0.460 -42.781 -8.265 364 2HD1 ILE 43 HD11 ILE 43 -0.742 -44.057 -8.433 365 3HD1 ILE 43 HD12 ILE 43 -1.173 -42.393 -8.794 366 H GLY 44 HN GLY 44 2.085 -43.157 -3.506 367 1HA GLY 44 HA1 GLY 44 1.713 -44.623 -1.046 368 2HA GLY 44 HA2 GLY 44 2.446 -45.606 -2.290 369 HA PRO 45 HA PRO 45 5.783 -43.128 0.286 370 1HB PRO 45 HB1 PRO 45 6.333 -46.029 0.995 371 2HB PRO 45 HB2 PRO 45 6.670 -44.555 1.923 372 1HG PRO 45 HG1 PRO 45 4.516 -45.933 2.548 373 2HG PRO 45 HG2 PRO 45 4.344 -44.175 2.355 374 1HD PRO 45 HD1 PRO 45 3.689 -46.371 0.362 375 2HD PRO 45 HD2 PRO 45 2.713 -44.971 0.861 376 H LYS 46 HN LYS 46 6.139 -46.262 -1.349 377 HA LYS 46 HA LYS 46 8.704 -45.846 -2.474 378 1HB LYS 46 HB1 LYS 46 6.445 -47.683 -3.313 379 2HB LYS 46 HB2 LYS 46 8.050 -47.704 -4.023 380 1HG LYS 46 HG1 LYS 46 9.043 -48.250 -1.846 381 2HG LYS 46 HG2 LYS 46 7.473 -48.178 -1.079 382 1HD LYS 46 HD1 LYS 46 7.675 -50.440 -1.341 383 2HD LYS 46 HD2 LYS 46 6.841 -50.055 -2.821 384 1HE LYS 46 HE1 LYS 46 9.848 -50.341 -2.674 385 2HE LYS 46 HE2 LYS 46 8.782 -51.708 -2.941 386 1HZ LYS 46 HZ3 LYS 46 7.871 -50.458 -4.879 387 2HZ LYS 46 HZ1 LYS 46 9.124 -49.308 -4.729 388 3HZ LYS 46 HZ2 LYS 46 9.495 -50.908 -5.035 389 H CYS 47 HN CYS 47 5.530 -44.939 -3.625 390 HA CYS 47 HA CYS 47 6.227 -44.128 -6.279 391 1HB CYS 47 HB1 CYS 47 3.914 -44.653 -5.383 392 2HB CYS 47 HB2 CYS 47 3.972 -43.153 -4.513 393 H VAL 48 HN VAL 48 5.388 -41.879 -3.486 394 HA VAL 48 HA VAL 48 6.651 -39.783 -4.378 395 HB VAL 48 HB VAL 48 7.385 -39.839 -1.536 396 1HG1 VAL 48 HG11 VAL 48 6.752 -37.790 -2.974 397 2HG1 VAL 48 HG12 VAL 48 5.150 -38.534 -3.129 398 3HG1 VAL 48 HG13 VAL 48 5.703 -37.931 -1.558 399 1HG2 VAL 48 HG21 VAL 48 5.870 -41.518 -1.225 400 2HG2 VAL 48 HG22 VAL 48 5.301 -40.017 -0.487 401 3HG2 VAL 48 HG23 VAL 48 4.569 -40.605 -1.983 402 H LYS 49 HN LYS 49 8.487 -42.349 -2.686 403 HA LYS 49 HA LYS 49 11.024 -41.132 -2.903 404 1HB LYS 49 HB1 LYS 49 10.368 -43.205 -1.538 405 2HB LYS 49 HB2 LYS 49 10.617 -44.125 -3.005 406 1HG LYS 49 HG1 LYS 49 12.665 -44.297 -1.815 407 2HG LYS 49 HG2 LYS 49 12.992 -43.135 -3.081 408 1HD LYS 49 HD1 LYS 49 12.459 -41.304 -1.308 409 2HD LYS 49 HD2 LYS 49 12.489 -42.599 -0.138 410 1HE LYS 49 HE1 LYS 49 14.624 -41.587 -0.066 411 2HE LYS 49 HE2 LYS 49 14.838 -43.118 -0.903 412 1HZ LYS 49 HZ1 LYS 49 14.438 -40.488 -2.227 413 2HZ LYS 49 HZ2 LYS 49 15.923 -41.265 -2.109 414 3HZ LYS 49 HZ3 LYS 49 14.713 -41.914 -3.073 415 H ALA 50 HN ALA 50 9.695 -43.563 -5.255 416 HA ALA 50 HA ALA 50 11.619 -43.397 -7.313 417 1HB ALA 50 HB3 ALA 50 9.671 -44.954 -7.206 418 2HB ALA 50 HB1 ALA 50 8.594 -43.630 -7.567 419 3HB ALA 50 HB2 ALA 50 9.749 -44.195 -8.771 420 H PHE 51 HN PHE 51 8.724 -41.346 -6.840 421 HA PHE 51 HA PHE 51 9.063 -39.450 -8.858 422 1HB PHE 51 HB1 PHE 51 7.146 -39.879 -7.110 423 2HB PHE 51 HB2 PHE 51 8.008 -38.750 -6.099 424 HD1 PHE 51 HD1 PHE 51 8.590 -36.379 -7.327 425 HD2 PHE 51 HD2 PHE 51 5.348 -38.940 -8.406 426 HE1 PHE 51 HE1 PHE 51 7.575 -34.615 -8.720 427 HE2 PHE 51 HE2 PHE 51 4.446 -37.322 -9.762 428 HZ PHE 51 HZ PHE 51 5.533 -35.066 -10.002 429 H LYS 52 HN LYS 52 10.228 -39.094 -5.431 430 HA LYS 52 HA LYS 52 11.522 -36.681 -5.846 431 1HB LYS 52 HB1 LYS 52 11.579 -38.807 -3.763 432 2HB LYS 52 HB2 LYS 52 13.004 -37.797 -3.772 433 1HG LYS 52 HG1 LYS 52 10.207 -36.653 -3.643 434 2HG LYS 52 HG2 LYS 52 11.122 -37.099 -2.214 435 1HD LYS 52 HD1 LYS 52 12.939 -35.529 -2.905 436 2HD LYS 52 HD2 LYS 52 11.979 -35.046 -4.295 437 1HE LYS 52 HE1 LYS 52 10.177 -34.305 -2.761 438 2HE LYS 52 HE2 LYS 52 11.216 -34.696 -1.388 439 1HZ LYS 52 HZ3 LYS 52 11.939 -32.854 -3.598 440 2HZ LYS 52 HZ1 LYS 52 11.386 -32.293 -2.085 441 3HZ LYS 52 HZ2 LYS 52 12.866 -33.157 -2.220 442 H ASP 53 HN ASP 53 12.956 -39.948 -6.183 443 HA ASP 53 HA ASP 53 15.617 -38.963 -6.661 444 1HB ASP 53 HB1 ASP 53 14.351 -41.674 -7.165 445 2HB ASP 53 HB2 ASP 53 16.057 -41.320 -7.410 446 H CYS 54 HN CYS 54 13.087 -40.056 -8.982 447 HA CYS 54 HA CYS 54 14.454 -39.049 -11.248 448 1HB CYS 54 HB1 CYS 54 11.642 -39.804 -10.679 449 2HB CYS 54 HB2 CYS 54 12.031 -38.990 -12.167 450 H CYS 55 HN CYS 55 12.244 -37.178 -9.036 451 HA CYS 55 HA CYS 55 12.374 -34.729 -10.354 452 1HB CYS 55 HB1 CYS 55 11.025 -35.080 -8.350 453 2HB CYS 55 HB2 CYS 55 12.468 -35.260 -7.378 454 OH TYR 56 OH TYR 56 22.818 -37.041 -8.896 455 H TYR 56 HN TYR 56 14.833 -36.010 -8.076 456 HA TYR 56 HA TYR 56 16.836 -34.109 -8.455 457 1HB TYR 56 HB1 TYR 56 17.214 -35.680 -6.781 458 2HB TYR 56 HB2 TYR 56 16.812 -37.036 -7.807 459 HD1 TYR 56 HD1 TYR 56 19.475 -34.370 -7.490 460 HD2 TYR 56 HD2 TYR 56 18.530 -38.337 -8.676 461 HE1 TYR 56 HE1 TYR 56 21.835 -34.776 -8.004 462 HE2 TYR 56 HE2 TYR 56 20.911 -38.745 -9.172 463 HH TYR 56 HH TYR 56 23.319 -36.229 -8.777 464 H ILE 57 HN ILE 57 16.466 -37.070 -10.541 465 HA ILE 57 HA ILE 57 18.166 -36.163 -12.582 466 HB ILE 57 HB ILE 57 15.649 -37.808 -12.840 467 1HG1 ILE 57 HG11 ILE 57 17.119 -39.027 -11.526 468 2HG1 ILE 57 HG12 ILE 57 17.257 -39.736 -13.118 469 1HG2 ILE 57 HG23 ILE 57 17.730 -37.505 -15.017 470 2HG2 ILE 57 HG21 ILE 57 16.456 -38.718 -14.996 471 3HG2 ILE 57 HG22 ILE 57 16.042 -37.021 -15.100 472 1HD1 ILE 57 HD13 ILE 57 19.358 -38.369 -13.474 473 2HD1 ILE 57 HD11 ILE 57 19.192 -37.820 -11.804 474 3HD1 ILE 57 HD12 ILE 57 19.500 -39.517 -12.144 475 H ALA 58 HN ALA 58 14.744 -35.477 -12.511 476 HA ALA 58 HA ALA 58 14.527 -33.780 -14.748 477 1HB ALA 58 HB1 ALA 58 12.581 -34.485 -13.448 478 2HB ALA 58 HB2 ALA 58 13.086 -33.458 -12.112 479 3HB ALA 58 HB3 ALA 58 12.609 -32.738 -13.645 480 H ASN 59 HN ASN 59 15.388 -32.738 -11.433 481 HA ASN 59 HA ASN 59 15.995 -30.066 -12.134 482 1HB ASN 59 HB1 ASN 59 15.695 -31.345 -9.772 483 2HB ASN 59 HB2 ASN 59 17.449 -31.284 -9.812 484 1HD2 ASN 59 HD21 ASN 59 17.670 -27.989 -9.054 485 2HD2 ASN 59 HD22 ASN 59 18.257 -28.801 -10.474 486 H GLN 60 HN GLN 60 18.241 -32.902 -12.025 487 HA GLN 60 HA GLN 60 20.512 -31.474 -12.936 488 1HB GLN 60 HB1 GLN 60 19.766 -34.367 -13.407 489 2HB GLN 60 HB2 GLN 60 21.318 -33.676 -13.828 490 1HG GLN 60 HG1 GLN 60 20.196 -33.911 -11.013 491 2HG GLN 60 HG2 GLN 60 21.418 -34.945 -11.710 492 1HE2 GLN 60 HE21 GLN 60 23.638 -31.838 -11.494 493 2HE2 GLN 60 HE22 GLN 60 23.006 -32.541 -12.949 494 H VAL 61 HN VAL 61 17.990 -33.110 -14.902 495 HA VAL 61 HA VAL 61 18.973 -32.337 -17.433 496 HB VAL 61 HB VAL 61 16.149 -32.922 -16.525 497 1HG1 VAL 61 HG13 VAL 61 17.119 -32.725 -19.403 498 2HG1 VAL 61 HG11 VAL 61 15.549 -33.336 -18.890 499 3HG1 VAL 61 HG12 VAL 61 15.952 -31.648 -18.642 500 1HG2 VAL 61 HG21 VAL 61 18.183 -34.602 -18.044 501 2HG2 VAL 61 HG22 VAL 61 17.691 -34.826 -16.366 502 3HG2 VAL 61 HG23 VAL 61 16.537 -35.099 -17.663 503 NH1 ARG 62 NH1 ARG 62 11.101 -26.650 -18.151 504 NH2 ARG 62 NH2 ARG 62 12.965 -26.510 -19.306 505 H ARG 62 HN ARG 62 16.712 -30.439 -15.332 506 HA ARG 62 HA ARG 62 16.881 -28.141 -16.982 507 1HB ARG 62 HB1 ARG 62 16.053 -28.557 -14.133 508 2HB ARG 62 HB2 ARG 62 16.240 -26.928 -14.740 509 1HG ARG 62 HG1 ARG 62 14.417 -29.000 -16.007 510 2HG ARG 62 HG2 ARG 62 13.891 -27.813 -14.836 511 1HD ARG 62 HD1 ARG 62 14.695 -26.006 -16.446 512 2HD ARG 62 HD2 ARG 62 14.936 -27.280 -17.635 513 HE ARG 62 HE ARG 62 12.279 -27.187 -16.350 514 1HH1 ARG 62 HH12 ARG 62 10.687 -26.781 -17.233 515 2HH1 ARG 62 HH11 ARG 62 10.567 -26.482 -18.963 516 1HH2 ARG 62 HH22 ARG 62 13.973 -26.554 -19.383 517 2HH2 ARG 62 HH21 ARG 62 12.411 -26.315 -20.098 518 H ALA 63 HN ALA 63 19.068 -28.967 -14.218 519 HA ALA 63 HA ALA 63 20.627 -26.615 -14.520 520 1HB ALA 63 HB1 ALA 63 20.723 -27.991 -12.506 521 2HB ALA 63 HB2 ALA 63 21.420 -29.326 -13.420 522 3HB ALA 63 HB3 ALA 63 22.332 -27.838 -13.209 523 H GLU 64 HN GLU 64 21.228 -29.879 -15.988 524 HA GLU 64 HA GLU 64 23.376 -28.764 -17.626 525 1HB GLU 64 HB1 GLU 64 22.182 -31.524 -17.378 526 2HB GLU 64 HB2 GLU 64 23.321 -31.134 -18.640 527 1HG GLU 64 HG1 GLU 64 24.647 -32.131 -16.944 528 2HG GLU 64 HG2 GLU 64 24.954 -30.417 -16.764 529 H GLN 65 HN GLN 65 21.533 -27.161 -18.342 530 HA GLN 65 HA GLN 65 20.475 -28.070 -20.950 531 1HB GLN 65 HB1 GLN 65 18.795 -28.290 -19.077 532 2HB GLN 65 HB2 GLN 65 18.855 -26.553 -18.885 533 1HG GLN 65 HG1 GLN 65 17.809 -26.182 -21.040 534 2HG GLN 65 HG2 GLN 65 18.011 -27.862 -21.510 535 1HE2 GLN 65 HE21 GLN 65 15.290 -28.869 -19.276 536 2HE2 GLN 65 HE22 GLN 65 16.924 -29.382 -19.565 Start of MODEL 12 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 19.716 -37.913 -7.476 2 2H MET 1 HT3 MET 1 20.684 -36.559 -7.715 3 3H MET 1 HT2 MET 1 21.015 -37.978 -8.575 4 HA MET 1 HA MET 1 22.613 -37.786 -6.897 5 1HB MET 1 HB1 MET 1 20.283 -37.355 -4.999 6 2HB MET 1 HB2 MET 1 21.927 -37.626 -4.486 7 1HG MET 1 HG1 MET 1 21.022 -35.243 -6.134 8 2HG MET 1 HG2 MET 1 21.240 -35.249 -4.403 9 1HE MET 1 HE2 MET 1 22.625 -33.607 -7.129 10 2HE MET 1 HE3 MET 1 24.318 -34.018 -7.314 11 3HE MET 1 HE1 MET 1 23.104 -35.134 -7.905 12 H LEU 2 HN LEU 2 19.651 -39.472 -5.754 13 HA LEU 2 HA LEU 2 21.214 -41.737 -4.887 14 1HB LEU 2 HB1 LEU 2 18.235 -41.201 -4.772 15 2HB LEU 2 HB2 LEU 2 19.068 -42.502 -3.960 16 HG LEU 2 HG LEU 2 19.625 -39.589 -3.354 17 1HD1 LEU 2 HD12 LEU 2 17.286 -40.141 -2.811 18 2HD1 LEU 2 HD13 LEU 2 17.814 -41.549 -1.901 19 3HD1 LEU 2 HD11 LEU 2 18.232 -39.932 -1.346 20 1HD2 LEU 2 HD21 LEU 2 20.290 -42.124 -1.809 21 2HD2 LEU 2 HD22 LEU 2 21.454 -41.127 -2.676 22 3HD2 LEU 2 HD23 LEU 2 20.617 -40.479 -1.278 23 H GLN 3 HN GLN 3 21.907 -42.068 -7.120 24 HA GLN 3 HA GLN 3 20.366 -43.197 -9.151 25 1HB GLN 3 HB1 GLN 3 23.314 -43.366 -8.565 26 2HB GLN 3 HB2 GLN 3 22.592 -44.073 -10.005 27 1HG GLN 3 HG1 GLN 3 21.715 -41.871 -10.703 28 2HG GLN 3 HG2 GLN 3 22.281 -41.133 -9.221 29 1HE2 GLN 3 HE21 GLN 3 25.261 -42.082 -11.812 30 2HE2 GLN 3 HE22 GLN 3 24.006 -43.267 -11.624 31 H LYS 4 HN LYS 4 22.056 -45.005 -6.587 32 HA LYS 4 HA LYS 4 21.162 -47.553 -7.353 33 1HB LYS 4 HB1 LYS 4 22.121 -46.373 -4.759 34 2HB LYS 4 HB2 LYS 4 21.391 -47.962 -4.731 35 1HG LYS 4 HG1 LYS 4 23.661 -47.300 -6.633 36 2HG LYS 4 HG2 LYS 4 23.950 -47.862 -4.995 37 1HD LYS 4 HD1 LYS 4 22.859 -49.952 -5.404 38 2HD LYS 4 HD2 LYS 4 22.190 -49.417 -6.929 39 1HE LYS 4 HE1 LYS 4 24.545 -49.238 -7.814 40 2HE LYS 4 HE2 LYS 4 25.087 -50.016 -6.321 41 1HZ LYS 4 HZ1 LYS 4 22.942 -51.109 -8.159 42 2HZ LYS 4 HZ2 LYS 4 24.573 -51.636 -8.129 43 3HZ LYS 4 HZ3 LYS 4 23.587 -51.850 -6.768 44 H LYS 5 HN LYS 5 19.345 -45.039 -5.721 45 HA LYS 5 HA LYS 5 17.182 -46.812 -5.015 46 1HB LYS 5 HB1 LYS 5 17.511 -43.836 -4.805 47 2HB LYS 5 HB2 LYS 5 16.030 -44.672 -4.388 48 1HG LYS 5 HG1 LYS 5 18.634 -45.493 -3.095 49 2HG LYS 5 HG2 LYS 5 17.683 -44.157 -2.466 50 1HD LYS 5 HD1 LYS 5 15.771 -45.580 -2.102 51 2HD LYS 5 HD2 LYS 5 16.535 -46.936 -2.907 52 1HE LYS 5 HE1 LYS 5 18.268 -47.004 -1.143 53 2HE LYS 5 HE2 LYS 5 17.441 -45.685 -0.306 54 1HZ LYS 5 HZ1 LYS 5 16.120 -48.285 -1.122 55 2HZ LYS 5 HZ2 LYS 5 16.713 -47.938 0.448 56 3HZ LYS 5 HZ3 LYS 5 15.450 -47.017 -0.209 57 H ILE 6 HN ILE 6 17.497 -44.333 -7.700 58 HA ILE 6 HA ILE 6 15.072 -45.110 -8.915 59 HB ILE 6 HB ILE 6 16.229 -44.941 -11.217 60 1HG1 ILE 6 HG11 ILE 6 18.204 -43.161 -9.916 61 2HG1 ILE 6 HG12 ILE 6 18.582 -44.846 -10.181 62 1HG2 ILE 6 HG23 ILE 6 15.571 -42.581 -9.520 63 2HG2 ILE 6 HG21 ILE 6 15.814 -42.520 -11.264 64 3HG2 ILE 6 HG22 ILE 6 14.539 -43.511 -10.613 65 1HD1 ILE 6 HD12 ILE 6 18.154 -44.572 -12.613 66 2HD1 ILE 6 HD13 ILE 6 17.807 -42.864 -12.364 67 3HD1 ILE 6 HD11 ILE 6 19.420 -43.490 -12.046 68 H GLU 7 HN GLU 7 18.256 -46.712 -9.188 69 HA GLU 7 HA GLU 7 17.424 -48.929 -10.699 70 1HB GLU 7 HB1 GLU 7 19.783 -48.306 -10.163 71 2HB GLU 7 HB2 GLU 7 19.528 -48.887 -8.527 72 1HG GLU 7 HG1 GLU 7 19.188 -51.189 -9.328 73 2HG GLU 7 HG2 GLU 7 19.240 -50.654 -11.001 74 H GLU 8 HN GLU 8 17.513 -48.862 -7.021 75 HA GLU 8 HA GLU 8 16.280 -51.356 -6.741 76 1HB GLU 8 HB1 GLU 8 17.482 -50.009 -5.004 77 2HB GLU 8 HB2 GLU 8 16.113 -48.923 -4.910 78 1HG GLU 8 HG1 GLU 8 14.700 -50.766 -3.998 79 2HG GLU 8 HG2 GLU 8 16.063 -51.868 -4.115 80 H GLU 9 HN GLU 9 14.478 -48.285 -7.260 81 HA GLU 9 HA GLU 9 11.858 -49.636 -6.958 82 1HB GLU 9 HB1 GLU 9 12.398 -46.885 -8.039 83 2HB GLU 9 HB2 GLU 9 10.895 -47.533 -7.422 84 1HG GLU 9 HG1 GLU 9 13.400 -47.106 -5.715 85 2HG GLU 9 HG2 GLU 9 12.143 -45.932 -5.869 86 H ALA 10 HN ALA 10 13.213 -47.961 -9.785 87 HA ALA 10 HA ALA 10 11.732 -49.573 -11.693 88 1HB ALA 10 HB1 ALA 10 14.086 -47.689 -12.048 89 2HB ALA 10 HB2 ALA 10 13.111 -48.337 -13.361 90 3HB ALA 10 HB3 ALA 10 12.386 -47.254 -12.180 91 H ALA 11 HN ALA 11 14.633 -50.829 -10.114 92 HA ALA 11 HA ALA 11 14.775 -52.881 -12.103 93 1HB ALA 11 HB3 ALA 11 15.629 -52.917 -9.184 94 2HB ALA 11 HB1 ALA 11 15.996 -54.189 -10.366 95 3HB ALA 11 HB2 ALA 11 16.625 -52.558 -10.580 96 H LYS 12 HN LYS 12 12.572 -52.524 -9.352 97 HA LYS 12 HA LYS 12 12.095 -55.285 -8.931 98 1HB LYS 12 HB1 LYS 12 10.580 -52.826 -8.093 99 2HB LYS 12 HB2 LYS 12 9.984 -54.435 -7.716 100 1HG LYS 12 HG1 LYS 12 12.237 -54.901 -6.614 101 2HG LYS 12 HG2 LYS 12 12.605 -53.200 -6.823 102 1HD LYS 12 HD1 LYS 12 10.173 -54.196 -5.307 103 2HD LYS 12 HD2 LYS 12 11.709 -53.901 -4.543 104 1HE LYS 12 HE1 LYS 12 10.206 -51.731 -6.040 105 2HE LYS 12 HE2 LYS 12 9.966 -52.062 -4.332 106 1HZ LYS 12 HZ2 LYS 12 12.619 -51.420 -5.616 107 2HZ LYS 12 HZ3 LYS 12 11.689 -50.308 -4.683 108 3HZ LYS 12 HZ1 LYS 12 12.324 -51.740 -3.971 109 OH TYR 13 OH TYR 13 10.732 -50.375 -17.117 110 H TYR 13 HN TYR 13 10.101 -52.956 -10.679 111 HA TYR 13 HA TYR 13 8.827 -53.061 -12.494 112 1HB TYR 13 HB1 TYR 13 11.009 -54.899 -12.969 113 2HB TYR 13 HB2 TYR 13 9.594 -55.409 -13.863 114 HD1 TYR 13 HD1 TYR 13 9.212 -54.414 -15.928 115 HD2 TYR 13 HD2 TYR 13 11.428 -52.128 -13.062 116 HE1 TYR 13 HE1 TYR 13 9.540 -52.611 -17.571 117 HE2 TYR 13 HE2 TYR 13 11.791 -50.428 -14.705 118 HH TYR 13 HH TYR 13 11.410 -49.766 -16.804 119 H LYS 14 HN LYS 14 8.505 -55.994 -10.688 120 HA LYS 14 HA LYS 14 5.858 -56.722 -11.437 121 1HB LYS 14 HB1 LYS 14 7.095 -56.683 -8.641 122 2HB LYS 14 HB2 LYS 14 5.722 -57.649 -9.146 123 1HG LYS 14 HG1 LYS 14 7.021 -59.119 -10.414 124 2HG LYS 14 HG2 LYS 14 8.343 -57.998 -10.610 125 1HD LYS 14 HD1 LYS 14 8.406 -58.328 -7.891 126 2HD LYS 14 HD2 LYS 14 7.745 -59.874 -8.382 127 1HE LYS 14 HE1 LYS 14 10.056 -60.257 -8.390 128 2HE LYS 14 HE2 LYS 14 9.692 -59.972 -10.086 129 1HZ LYS 14 HZ1 LYS 14 10.310 -57.542 -9.699 130 2HZ LYS 14 HZ2 LYS 14 10.751 -58.007 -8.139 131 3HZ LYS 14 HZ3 LYS 14 11.582 -58.644 -9.464 132 OH TYR 15 OH TYR 15 5.252 -56.432 -3.770 133 H TYR 15 HN TYR 15 7.055 -54.325 -9.168 134 HA TYR 15 HA TYR 15 4.502 -52.935 -8.947 135 1HB TYR 15 HB1 TYR 15 7.245 -52.282 -7.808 136 2HB TYR 15 HB2 TYR 15 5.747 -51.493 -7.376 137 HD1 TYR 15 HD1 TYR 15 3.792 -53.525 -6.880 138 HD2 TYR 15 HD2 TYR 15 7.964 -53.755 -6.130 139 HE1 TYR 15 HE1 TYR 15 3.389 -55.238 -5.174 140 HE2 TYR 15 HE2 TYR 15 7.550 -55.500 -4.427 141 HH TYR 15 HH TYR 15 4.315 -56.617 -3.694 142 H ALA 16 HN ALA 16 4.794 -52.949 -11.358 143 HA ALA 16 HA ALA 16 6.425 -51.150 -12.796 144 1HB ALA 16 HB2 ALA 16 3.729 -52.359 -13.513 145 2HB ALA 16 HB3 ALA 16 4.835 -51.591 -14.649 146 3HB ALA 16 HB1 ALA 16 5.315 -53.064 -13.813 147 H MET 17 HN MET 17 3.184 -50.704 -11.538 148 HA MET 17 HA MET 17 2.653 -48.079 -12.467 149 1HB MET 17 HB1 MET 17 0.984 -49.714 -11.647 150 2HB MET 17 HB2 MET 17 1.626 -49.568 -10.025 151 1HG MET 17 HG1 MET 17 0.886 -47.212 -9.925 152 2HG MET 17 HG2 MET 17 0.338 -47.302 -11.588 153 1HE MET 17 HE1 MET 17 -0.314 -47.859 -7.950 154 2HE MET 17 HE2 MET 17 -1.809 -48.760 -7.850 155 3HE MET 17 HE3 MET 17 -0.308 -49.617 -8.191 156 H LEU 18 HN LEU 18 4.555 -49.212 -9.747 157 HA LEU 18 HA LEU 18 4.657 -46.577 -8.491 158 1HB LEU 18 HB1 LEU 18 5.938 -49.157 -7.566 159 2HB LEU 18 HB2 LEU 18 5.764 -47.677 -6.644 160 HG LEU 18 HG LEU 18 3.457 -49.407 -7.617 161 1HD1 LEU 18 HD13 LEU 18 4.690 -50.493 -5.792 162 2HD1 LEU 18 HD11 LEU 18 4.533 -49.039 -4.822 163 3HD1 LEU 18 HD12 LEU 18 3.104 -49.964 -5.254 164 1HD2 LEU 18 HD21 LEU 18 3.414 -46.981 -5.813 165 2HD2 LEU 18 HD22 LEU 18 2.762 -47.044 -7.444 166 3HD2 LEU 18 HD23 LEU 18 2.024 -48.005 -6.169 167 H LYS 19 HN LYS 19 7.236 -48.822 -9.861 168 HA LYS 19 HA LYS 19 9.005 -46.873 -10.506 169 1HB LYS 19 HB1 LYS 19 9.503 -49.069 -11.221 170 2HB LYS 19 HB2 LYS 19 7.939 -49.323 -11.936 171 1HG LYS 19 HG1 LYS 19 9.607 -47.327 -13.398 172 2HG LYS 19 HG2 LYS 19 10.280 -48.926 -13.324 173 1HD LYS 19 HD1 LYS 19 8.596 -49.920 -14.555 174 2HD LYS 19 HD2 LYS 19 7.405 -48.702 -14.141 175 1HE LYS 19 HE1 LYS 19 8.062 -47.248 -15.771 176 2HE LYS 19 HE2 LYS 19 9.746 -47.758 -15.707 177 1HZ LYS 19 HZ2 LYS 19 7.657 -49.569 -16.718 178 2HZ LYS 19 HZ3 LYS 19 8.425 -48.459 -17.740 179 3HZ LYS 19 HZ1 LYS 19 9.354 -49.653 -16.975 180 H LYS 20 HN LYS 20 5.964 -47.268 -12.553 181 HA LYS 20 HA LYS 20 6.489 -45.006 -14.159 182 1HB LYS 20 HB1 LYS 20 4.726 -46.809 -14.433 183 2HB LYS 20 HB2 LYS 20 3.791 -46.041 -13.190 184 1HG LYS 20 HG1 LYS 20 4.478 -44.709 -15.825 185 2HG LYS 20 HG2 LYS 20 3.049 -45.680 -15.593 186 1HD LYS 20 HD1 LYS 20 3.651 -43.060 -14.196 187 2HD LYS 20 HD2 LYS 20 2.550 -43.289 -15.529 188 1HE LYS 20 HE1 LYS 20 1.021 -44.572 -14.173 189 2HE LYS 20 HE2 LYS 20 2.160 -44.612 -12.825 190 1HZ LYS 20 HZ3 LYS 20 1.046 -42.133 -14.011 191 2HZ LYS 20 HZ1 LYS 20 0.556 -42.809 -12.533 192 3HZ LYS 20 HZ2 LYS 20 2.130 -42.168 -12.713 193 H CYS 21 HN CYS 21 4.886 -45.071 -10.870 194 HA CYS 21 HA CYS 21 4.543 -42.324 -10.573 195 1HB CYS 21 HB1 CYS 21 3.800 -44.242 -9.106 196 2HB CYS 21 HB2 CYS 21 5.398 -44.213 -8.382 197 H CYS 22 HN CYS 22 7.571 -44.135 -9.734 198 HA CYS 22 HA CYS 22 9.483 -42.054 -9.539 199 1HB CYS 22 HB1 CYS 22 9.774 -44.623 -9.640 200 2HB CYS 22 HB2 CYS 22 10.105 -44.282 -11.293 201 OH TYR 23 OH TYR 23 13.241 -46.053 -15.228 202 H TYR 23 HN TYR 23 8.264 -43.273 -12.572 203 HA TYR 23 HA TYR 23 9.649 -41.181 -13.914 204 1HB TYR 23 HB1 TYR 23 7.736 -43.240 -14.878 205 2HB TYR 23 HB2 TYR 23 8.698 -42.196 -15.899 206 HD1 TYR 23 HD1 TYR 23 10.838 -43.146 -12.853 207 HD2 TYR 23 HD2 TYR 23 9.105 -44.733 -16.439 208 HE1 TYR 23 HE1 TYR 23 12.827 -44.415 -13.294 209 HE2 TYR 23 HE2 TYR 23 11.185 -46.026 -16.841 210 HH TYR 23 HH TYR 23 13.184 -46.554 -16.042 211 H ASP 24 HN ASP 24 6.267 -41.228 -12.852 212 HA ASP 24 HA ASP 24 5.572 -38.614 -13.679 213 1HB ASP 24 HB1 ASP 24 4.946 -39.892 -10.986 214 2HB ASP 24 HB2 ASP 24 4.254 -38.410 -11.603 215 H GLY 25 HN GLY 25 7.467 -39.434 -10.743 216 1HA GLY 25 HA1 GLY 25 8.256 -36.809 -10.046 217 2HA GLY 25 HA2 GLY 25 9.154 -38.253 -9.660 218 H ALA 26 HN ALA 26 9.951 -39.058 -12.202 219 HA ALA 26 HA ALA 26 12.094 -37.336 -12.893 220 1HB ALA 26 HB2 ALA 26 12.174 -39.736 -13.337 221 2HB ALA 26 HB3 ALA 26 10.901 -39.573 -14.546 222 3HB ALA 26 HB1 ALA 26 12.468 -38.823 -14.812 223 OH TYR 27 OH TYR 27 9.271 -39.433 -21.012 224 H TYR 27 HN TYR 27 8.945 -37.714 -14.674 225 HA TYR 27 HA TYR 27 9.558 -35.569 -16.460 226 1HB TYR 27 HB1 TYR 27 7.035 -37.060 -15.816 227 2HB TYR 27 HB2 TYR 27 6.967 -35.620 -16.808 228 HD1 TYR 27 HD1 TYR 27 8.094 -35.584 -19.037 229 HD2 TYR 27 HD2 TYR 27 8.127 -39.103 -16.664 230 HE1 TYR 27 HE1 TYR 27 8.820 -36.905 -20.991 231 HE2 TYR 27 HE2 TYR 27 8.847 -40.412 -18.620 232 HH TYR 27 HH TYR 27 9.377 -40.356 -20.779 233 NH1 ARG 28 NH1 ARG 28 11.933 -28.335 -9.221 234 NH2 ARG 28 NH2 ARG 28 10.831 -30.212 -9.165 235 H ARG 28 HN ARG 28 10.435 -34.268 -14.702 236 HA ARG 28 HA ARG 28 8.665 -32.484 -13.273 237 1HB ARG 28 HB1 ARG 28 10.880 -33.181 -12.493 238 2HB ARG 28 HB2 ARG 28 11.630 -32.402 -13.873 239 1HG ARG 28 HG1 ARG 28 10.951 -30.190 -13.042 240 2HG ARG 28 HG2 ARG 28 10.093 -30.934 -11.701 241 1HD ARG 28 HD1 ARG 28 12.271 -31.880 -10.891 242 2HD ARG 28 HD2 ARG 28 13.077 -31.122 -12.252 243 HE ARG 28 HE ARG 28 12.930 -29.046 -11.135 244 1HH1 ARG 28 HH12 ARG 28 12.598 -27.749 -9.692 245 2HH1 ARG 28 HH11 ARG 28 11.440 -28.068 -8.404 246 1HH2 ARG 28 HH22 ARG 28 10.697 -31.130 -9.500 247 2HH2 ARG 28 HH21 ARG 28 10.277 -29.819 -8.413 248 H ASN 29 HN ASN 29 7.468 -31.002 -14.310 249 HA ASN 29 HA ASN 29 8.318 -29.833 -16.827 250 1HB ASN 29 HB1 ASN 29 6.035 -28.859 -16.927 251 2HB ASN 29 HB2 ASN 29 6.071 -30.604 -16.784 252 1HD2 ASN 29 HD21 ASN 29 4.578 -30.573 -13.569 253 2HD2 ASN 29 HD22 ASN 29 4.639 -31.442 -15.092 254 H ASP 30 HN ASP 30 6.538 -27.480 -14.927 255 HA ASP 30 HA ASP 30 8.669 -25.579 -15.424 256 1HB ASP 30 HB1 ASP 30 5.844 -25.297 -14.338 257 2HB ASP 30 HB2 ASP 30 6.920 -23.944 -14.655 258 H ASP 31 HN ASP 31 9.668 -27.279 -13.603 259 HA ASP 31 HA ASP 31 10.567 -27.650 -11.566 260 1HB ASP 31 HB1 ASP 31 11.057 -24.774 -12.126 261 2HB ASP 31 HB2 ASP 31 11.466 -25.345 -10.517 262 H GLU 32 HN GLU 32 8.312 -28.278 -10.966 263 HA GLU 32 HA GLU 32 6.897 -26.833 -8.950 264 1HB GLU 32 HB1 GLU 32 6.751 -29.735 -9.805 265 2HB GLU 32 HB2 GLU 32 5.599 -28.955 -8.736 266 1HG GLU 32 HG1 GLU 32 4.972 -27.376 -10.591 267 2HG GLU 32 HG2 GLU 32 6.080 -28.211 -11.664 268 H THR 33 HN THR 33 6.634 -27.298 -6.695 269 HA THR 33 HA THR 33 8.867 -28.415 -5.283 270 HB THR 33 HB THR 33 6.183 -27.579 -4.146 271 HG1 THR 33 HG1 THR 33 7.499 -25.620 -3.698 272 1HG2 THR 33 HG23 THR 33 7.688 -28.809 -2.518 273 2HG2 THR 33 HG21 THR 33 8.948 -27.634 -2.886 274 3HG2 THR 33 HG22 THR 33 7.464 -27.115 -2.100 275 H CYS 34 HN CYS 34 9.177 -30.572 -4.991 276 HA CYS 34 HA CYS 34 7.492 -32.412 -6.231 277 1HB CYS 34 HB1 CYS 34 9.955 -32.734 -4.555 278 2HB CYS 34 HB2 CYS 34 9.097 -34.131 -5.170 279 H GLU 35 HN GLU 35 7.875 -31.982 -2.715 280 HA GLU 35 HA GLU 35 6.055 -34.206 -2.238 281 1HB GLU 35 HB1 GLU 35 6.157 -33.654 0.186 282 2HB GLU 35 HB2 GLU 35 7.634 -34.175 -0.568 283 1HG GLU 35 HG1 GLU 35 7.050 -31.243 0.060 284 2HG GLU 35 HG2 GLU 35 7.892 -32.322 1.157 285 H GLU 36 HN GLU 36 5.525 -30.790 -2.663 286 HA GLU 36 HA GLU 36 2.777 -30.867 -1.725 287 1HB GLU 36 HB1 GLU 36 4.167 -28.786 -1.904 288 2HB GLU 36 HB2 GLU 36 4.138 -28.938 -3.645 289 1HG GLU 36 HG1 GLU 36 1.568 -28.635 -2.042 290 2HG GLU 36 HG2 GLU 36 2.510 -27.248 -2.530 291 NH1 ARG 37 NH1 ARG 37 5.865 -33.157 -12.665 292 NH2 ARG 37 NH2 ARG 37 6.769 -34.431 -11.135 293 H ARG 37 HN ARG 37 4.349 -30.936 -4.888 294 HA ARG 37 HA ARG 37 2.300 -31.680 -6.618 295 1HB ARG 37 HB1 ARG 37 4.764 -31.075 -6.994 296 2HB ARG 37 HB2 ARG 37 5.145 -32.727 -6.581 297 1HG ARG 37 HG1 ARG 37 3.699 -33.409 -8.607 298 2HG ARG 37 HG2 ARG 37 3.694 -31.704 -9.034 299 1HD ARG 37 HD1 ARG 37 6.283 -31.837 -8.757 300 2HD ARG 37 HD2 ARG 37 6.049 -33.567 -8.777 301 HE ARG 37 HE ARG 37 5.087 -31.806 -11.018 302 1HH1 ARG 37 HH12 ARG 37 5.283 -32.385 -12.872 303 2HH1 ARG 37 HH11 ARG 37 6.303 -33.730 -13.380 304 1HH2 ARG 37 HH22 ARG 37 7.005 -34.581 -10.192 305 2HH2 ARG 37 HH21 ARG 37 7.049 -35.069 -11.858 306 H ALA 38 HN ALA 38 4.474 -34.000 -4.848 307 HA ALA 38 HA ALA 38 2.552 -36.107 -5.294 308 1HB ALA 38 HB3 ALA 38 5.332 -36.135 -4.250 309 2HB ALA 38 HB1 ALA 38 4.284 -37.566 -4.386 310 3HB ALA 38 HB2 ALA 38 4.653 -36.631 -5.829 311 H ALA 39 HN ALA 39 2.620 -33.907 -2.562 312 HA ALA 39 HA ALA 39 0.831 -35.598 -1.171 313 1HB ALA 39 HB2 ALA 39 1.584 -33.445 -0.271 314 2HB ALA 39 HB3 ALA 39 0.722 -32.586 -1.543 315 3HB ALA 39 HB1 ALA 39 -0.178 -33.499 -0.330 316 NH1 ARG 40 NH1 ARG 40 -2.338 -28.003 -3.651 317 NH2 ARG 40 NH2 ARG 40 -4.159 -29.228 -3.801 318 H ARG 40 HN ARG 40 0.286 -33.585 -4.069 319 HA ARG 40 HA ARG 40 -2.442 -34.379 -4.454 320 1HB ARG 40 HB1 ARG 40 -0.516 -33.638 -6.665 321 2HB ARG 40 HB2 ARG 40 -2.262 -33.522 -6.701 322 1HG ARG 40 HG1 ARG 40 -0.424 -31.828 -4.968 323 2HG ARG 40 HG2 ARG 40 -1.087 -31.331 -6.503 324 1HD ARG 40 HD1 ARG 40 -3.330 -31.304 -5.614 325 2HD ARG 40 HD2 ARG 40 -2.768 -31.956 -4.063 326 HE ARG 40 HE ARG 40 -1.182 -29.694 -4.537 327 1HH1 ARG 40 HH12 ARG 40 -1.333 -27.976 -3.809 328 2HH1 ARG 40 HH11 ARG 40 -2.850 -27.250 -3.271 329 1HH2 ARG 40 HH22 ARG 40 -4.563 -30.090 -4.063 330 2HH2 ARG 40 HH21 ARG 40 -4.679 -28.483 -3.414 331 H ILE 41 HN ILE 41 0.465 -35.752 -6.125 332 HA ILE 41 HA ILE 41 -0.772 -38.168 -6.784 333 HB ILE 41 HB ILE 41 2.247 -37.795 -6.669 334 1HG1 ILE 41 HG11 ILE 41 1.390 -38.015 -9.298 335 2HG1 ILE 41 HG12 ILE 41 0.098 -37.034 -8.585 336 1HG2 ILE 41 HG23 ILE 41 0.597 -39.938 -7.802 337 2HG2 ILE 41 HG21 ILE 41 2.353 -39.524 -8.070 338 3HG2 ILE 41 HG22 ILE 41 1.750 -40.064 -6.462 339 1HD1 ILE 41 HD11 ILE 41 2.966 -36.533 -8.083 340 2HD1 ILE 41 HD12 ILE 41 2.122 -35.758 -9.463 341 3HD1 ILE 41 HD13 ILE 41 1.661 -35.418 -7.785 342 H LYS 42 HN LYS 42 -1.762 -38.741 -5.383 343 HA LYS 42 HA LYS 42 -1.109 -39.276 -2.564 344 1HB LYS 42 HB1 LYS 42 -3.145 -38.014 -3.481 345 2HB LYS 42 HB2 LYS 42 -3.801 -39.562 -3.946 346 1HG LYS 42 HG1 LYS 42 -4.861 -39.058 -1.902 347 2HG LYS 42 HG2 LYS 42 -3.652 -40.250 -1.496 348 1HD LYS 42 HD1 LYS 42 -3.235 -38.826 0.217 349 2HD LYS 42 HD2 LYS 42 -2.196 -38.048 -0.946 350 1HE LYS 42 HE1 LYS 42 -5.037 -37.189 -0.359 351 2HE LYS 42 HE2 LYS 42 -3.604 -36.485 0.376 352 1HZ LYS 42 HZ3 LYS 42 -2.766 -35.879 -1.875 353 2HZ LYS 42 HZ1 LYS 42 -4.188 -36.564 -2.524 354 3HZ LYS 42 HZ2 LYS 42 -4.303 -35.192 -1.544 355 H ILE 43 HN ILE 43 -0.778 -41.301 -5.134 356 HA ILE 43 HA ILE 43 -2.689 -43.345 -4.724 357 HB ILE 43 HB ILE 43 -0.178 -43.310 -6.398 358 1HG1 ILE 43 HG11 ILE 43 -3.039 -42.992 -7.333 359 2HG1 ILE 43 HG12 ILE 43 -2.079 -41.612 -6.865 360 1HG2 ILE 43 HG21 ILE 43 -2.494 -45.275 -6.537 361 2HG2 ILE 43 HG22 ILE 43 -1.175 -45.186 -7.698 362 3HG2 ILE 43 HG23 ILE 43 -0.851 -45.664 -6.050 363 1HD1 ILE 43 HD13 ILE 43 -0.419 -42.162 -8.639 364 2HD1 ILE 43 HD11 ILE 43 -1.424 -43.512 -9.151 365 3HD1 ILE 43 HD12 ILE 43 -2.028 -41.870 -9.289 366 H GLY 44 HN GLY 44 0.707 -43.262 -3.556 367 1HA GLY 44 HA1 GLY 44 -0.029 -44.980 -1.420 368 2HA GLY 44 HA2 GLY 44 0.865 -45.903 -2.600 369 HA PRO 45 HA PRO 45 3.845 -43.722 0.622 370 1HB PRO 45 HB1 PRO 45 4.099 -46.672 1.300 371 2HB PRO 45 HB2 PRO 45 4.370 -45.251 2.325 372 1HG PRO 45 HG1 PRO 45 2.062 -46.499 2.546 373 2HG PRO 45 HG2 PRO 45 2.034 -44.729 2.395 374 1HD PRO 45 HD1 PRO 45 1.567 -46.819 0.242 375 2HD PRO 45 HD2 PRO 45 0.617 -45.368 0.633 376 H LYS 46 HN LYS 46 4.341 -46.868 -1.000 377 HA LYS 46 HA LYS 46 7.016 -46.369 -1.774 378 1HB LYS 46 HB1 LYS 46 4.988 -48.455 -2.387 379 2HB LYS 46 HB2 LYS 46 6.242 -48.248 -3.584 380 1HG LYS 46 HG1 LYS 46 6.852 -48.740 -0.660 381 2HG LYS 46 HG2 LYS 46 6.698 -50.020 -1.853 382 1HD LYS 46 HD1 LYS 46 8.510 -48.887 -3.205 383 2HD LYS 46 HD2 LYS 46 8.732 -47.757 -1.885 384 1HE LYS 46 HE1 LYS 46 9.232 -49.710 -0.385 385 2HE LYS 46 HE2 LYS 46 9.180 -50.743 -1.817 386 1HZ LYS 46 HZ3 LYS 46 10.866 -49.251 -2.863 387 2HZ LYS 46 HZ1 LYS 46 10.905 -48.356 -1.452 388 3HZ LYS 46 HZ2 LYS 46 11.448 -49.956 -1.419 389 H CYS 47 HN CYS 47 4.047 -45.386 -3.291 390 HA CYS 47 HA CYS 47 5.118 -44.626 -5.841 391 1HB CYS 47 HB1 CYS 47 2.661 -44.966 -5.173 392 2HB CYS 47 HB2 CYS 47 2.752 -43.419 -4.395 393 H VAL 48 HN VAL 48 4.120 -42.334 -3.114 394 HA VAL 48 HA VAL 48 5.613 -40.306 -3.732 395 HB VAL 48 HB VAL 48 5.956 -40.845 -0.812 396 1HG1 VAL 48 HG13 VAL 48 6.081 -38.570 -1.989 397 2HG1 VAL 48 HG11 VAL 48 4.402 -38.886 -2.483 398 3HG1 VAL 48 HG12 VAL 48 4.787 -38.602 -0.777 399 1HG2 VAL 48 HG23 VAL 48 4.033 -42.106 -1.021 400 2HG2 VAL 48 HG21 VAL 48 3.717 -40.618 -0.120 401 3HG2 VAL 48 HG22 VAL 48 3.150 -40.782 -1.787 402 H LYS 49 HN LYS 49 6.972 -43.029 -1.924 403 HA LYS 49 HA LYS 49 9.623 -42.125 -1.669 404 1HB LYS 49 HB1 LYS 49 8.212 -44.432 -0.990 405 2HB LYS 49 HB2 LYS 49 9.448 -45.034 -2.062 406 1HG LYS 49 HG1 LYS 49 10.840 -43.301 -0.308 407 2HG LYS 49 HG2 LYS 49 9.631 -44.053 0.704 408 1HD LYS 49 HD1 LYS 49 11.254 -45.639 0.935 409 2HD LYS 49 HD2 LYS 49 10.534 -46.276 -0.523 410 1HE LYS 49 HE1 LYS 49 13.020 -44.540 -0.347 411 2HE LYS 49 HE2 LYS 49 12.973 -46.261 -0.702 412 1HZ LYS 49 HZ2 LYS 49 11.646 -44.187 -2.323 413 2HZ LYS 49 HZ3 LYS 49 13.115 -44.714 -2.787 414 3HZ LYS 49 HZ1 LYS 49 11.757 -45.808 -2.811 415 H ALA 50 HN ALA 50 8.550 -44.363 -4.327 416 HA ALA 50 HA ALA 50 10.811 -44.256 -6.071 417 1HB ALA 50 HB3 ALA 50 8.890 -45.764 -6.238 418 2HB ALA 50 HB1 ALA 50 7.865 -44.430 -6.720 419 3HB ALA 50 HB2 ALA 50 9.183 -44.962 -7.760 420 H PHE 51 HN PHE 51 7.944 -42.079 -5.950 421 HA PHE 51 HA PHE 51 8.592 -40.219 -7.919 422 1HB PHE 51 HB1 PHE 51 6.469 -40.589 -6.441 423 2HB PHE 51 HB2 PHE 51 7.232 -39.526 -5.291 424 HD1 PHE 51 HD1 PHE 51 7.942 -37.111 -6.253 425 HD2 PHE 51 HD2 PHE 51 4.912 -39.579 -7.952 426 HE1 PHE 51 HE1 PHE 51 7.165 -35.261 -7.642 427 HE2 PHE 51 HE2 PHE 51 4.175 -37.837 -9.292 428 HZ PHE 51 HZ PHE 51 5.295 -35.622 -9.245 429 H LYS 52 HN LYS 52 9.310 -39.851 -4.380 430 HA LYS 52 HA LYS 52 10.752 -37.466 -4.694 431 1HB LYS 52 HB1 LYS 52 9.703 -38.263 -2.584 432 2HB LYS 52 HB2 LYS 52 10.939 -39.485 -2.438 433 1HG LYS 52 HG1 LYS 52 11.535 -37.747 -0.935 434 2HG LYS 52 HG2 LYS 52 12.656 -37.632 -2.270 435 1HD LYS 52 HD1 LYS 52 11.294 -35.730 -3.201 436 2HD LYS 52 HD2 LYS 52 10.263 -35.817 -1.777 437 1HE LYS 52 HE1 LYS 52 12.200 -35.358 -0.332 438 2HE LYS 52 HE2 LYS 52 13.259 -35.338 -1.741 439 1HZ LYS 52 HZ2 LYS 52 11.783 -33.529 -2.622 440 2HZ LYS 52 HZ3 LYS 52 11.076 -33.351 -1.065 441 3HZ LYS 52 HZ1 LYS 52 12.730 -33.114 -1.293 442 H ASP 53 HN ASP 53 12.007 -40.863 -4.647 443 HA ASP 53 HA ASP 53 14.754 -40.170 -4.873 444 1HB ASP 53 HB1 ASP 53 13.272 -42.613 -5.867 445 2HB ASP 53 HB2 ASP 53 15.014 -42.450 -5.922 446 H CYS 54 HN CYS 54 12.525 -40.994 -7.578 447 HA CYS 54 HA CYS 54 14.131 -40.007 -9.635 448 1HB CYS 54 HB1 CYS 54 11.235 -40.516 -9.283 449 2HB CYS 54 HB2 CYS 54 11.725 -39.575 -10.665 450 H CYS 55 HN CYS 55 11.885 -37.964 -7.627 451 HA CYS 55 HA CYS 55 12.424 -35.527 -8.867 452 1HB CYS 55 HB1 CYS 55 10.826 -35.770 -7.036 453 2HB CYS 55 HB2 CYS 55 12.138 -36.050 -5.909 454 OH TYR 56 OH TYR 56 16.298 -35.252 -0.363 455 H TYR 56 HN TYR 56 14.482 -37.023 -6.289 456 HA TYR 56 HA TYR 56 16.608 -35.204 -6.465 457 1HB TYR 56 HB1 TYR 56 16.542 -38.134 -5.762 458 2HB TYR 56 HB2 TYR 56 18.065 -37.275 -5.819 459 HD1 TYR 56 HD1 TYR 56 15.339 -38.100 -3.709 460 HD2 TYR 56 HD2 TYR 56 18.122 -34.973 -4.445 461 HE1 TYR 56 HE1 TYR 56 15.094 -37.335 -1.398 462 HE2 TYR 56 HE2 TYR 56 17.827 -34.187 -2.130 463 HH TYR 56 HH TYR 56 15.686 -35.814 0.114 464 H ILE 57 HN ILE 57 16.284 -38.186 -8.520 465 HA ILE 57 HA ILE 57 18.405 -37.507 -10.224 466 HB ILE 57 HB ILE 57 16.051 -39.299 -10.475 467 1HG1 ILE 57 HG11 ILE 57 18.042 -40.906 -10.854 468 2HG1 ILE 57 HG12 ILE 57 19.020 -39.549 -10.334 469 1HG2 ILE 57 HG22 ILE 57 17.973 -38.888 -12.784 470 2HG2 ILE 57 HG23 ILE 57 16.819 -40.209 -12.631 471 3HG2 ILE 57 HG21 ILE 57 16.241 -38.566 -12.813 472 1HD1 ILE 57 HD11 ILE 57 16.861 -40.814 -8.658 473 2HD1 ILE 57 HD12 ILE 57 18.586 -41.145 -8.507 474 3HD1 ILE 57 HD13 ILE 57 17.951 -39.543 -8.152 475 H ALA 58 HN ALA 58 15.028 -36.617 -10.668 476 HA ALA 58 HA ALA 58 15.201 -35.019 -12.976 477 1HB ALA 58 HB1 ALA 58 13.096 -35.564 -11.893 478 2HB ALA 58 HB2 ALA 58 13.495 -34.496 -10.553 479 3HB ALA 58 HB3 ALA 58 13.254 -33.836 -12.169 480 H ASN 59 HN ASN 59 15.702 -33.879 -9.612 481 HA ASN 59 HA ASN 59 16.748 -31.327 -10.191 482 1HB ASN 59 HB1 ASN 59 15.982 -32.053 -7.962 483 2HB ASN 59 HB2 ASN 59 17.295 -33.205 -7.862 484 1HD2 ASN 59 HD21 ASN 59 18.467 -29.328 -7.598 485 2HD2 ASN 59 HD22 ASN 59 16.927 -29.611 -8.348 486 H GLN 60 HN GLN 60 18.580 -34.398 -9.802 487 HA GLN 60 HA GLN 60 21.141 -33.424 -10.370 488 1HB GLN 60 HB1 GLN 60 20.581 -35.672 -9.494 489 2HB GLN 60 HB2 GLN 60 19.962 -36.126 -11.066 490 1HG GLN 60 HG1 GLN 60 22.210 -35.883 -12.062 491 2HG GLN 60 HG2 GLN 60 22.836 -35.344 -10.518 492 1HE2 GLN 60 HE21 GLN 60 23.888 -38.775 -10.639 493 2HE2 GLN 60 HE22 GLN 60 24.311 -37.199 -11.263 494 H VAL 61 HN VAL 61 18.869 -34.852 -12.823 495 HA VAL 61 HA VAL 61 20.620 -34.188 -14.989 496 HB VAL 61 HB VAL 61 18.933 -36.038 -14.934 497 1HG1 VAL 61 HG11 VAL 61 16.908 -34.866 -14.325 498 2HG1 VAL 61 HG12 VAL 61 16.952 -33.927 -15.814 499 3HG1 VAL 61 HG13 VAL 61 16.709 -35.667 -15.877 500 1HG2 VAL 61 HG23 VAL 61 20.209 -35.585 -16.934 501 2HG2 VAL 61 HG21 VAL 61 18.561 -36.013 -17.374 502 3HG2 VAL 61 HG22 VAL 61 19.075 -34.329 -17.420 503 NH1 ARG 62 NH1 ARG 62 12.059 -28.057 -14.922 504 NH2 ARG 62 NH2 ARG 62 12.620 -30.095 -15.541 505 H ARG 62 HN ARG 62 18.040 -32.274 -13.496 506 HA ARG 62 HA ARG 62 18.027 -30.113 -15.288 507 1HB ARG 62 HB1 ARG 62 16.987 -30.688 -12.741 508 2HB ARG 62 HB2 ARG 62 18.036 -29.339 -12.427 509 1HG ARG 62 HG1 ARG 62 15.904 -28.412 -12.796 510 2HG ARG 62 HG2 ARG 62 16.783 -28.088 -14.278 511 1HD ARG 62 HD1 ARG 62 15.620 -29.806 -15.465 512 2HD ARG 62 HD2 ARG 62 14.991 -30.507 -13.967 513 HE ARG 62 HE ARG 62 14.160 -27.772 -14.178 514 1HH1 ARG 62 HH12 ARG 62 12.354 -27.199 -14.476 515 2HH1 ARG 62 HH11 ARG 62 11.108 -28.181 -15.263 516 1HH2 ARG 62 HH22 ARG 62 13.336 -30.765 -15.641 517 2HH2 ARG 62 HH21 ARG 62 11.667 -30.285 -15.823 518 H ALA 63 HN ALA 63 20.308 -30.690 -12.596 519 HA ALA 63 HA ALA 63 21.943 -28.394 -13.310 520 1HB ALA 63 HB2 ALA 63 22.297 -30.563 -11.211 521 2HB ALA 63 HB3 ALA 63 23.296 -29.117 -11.355 522 3HB ALA 63 HB1 ALA 63 21.587 -28.973 -10.963 523 H GLU 64 HN GLU 64 22.527 -31.968 -13.358 524 HA GLU 64 HA GLU 64 25.183 -31.572 -14.510 525 1HB GLU 64 HB1 GLU 64 23.629 -34.009 -13.632 526 2HB GLU 64 HB2 GLU 64 25.202 -34.123 -14.392 527 1HG GLU 64 HG1 GLU 64 26.281 -32.939 -12.559 528 2HG GLU 64 HG2 GLU 64 24.744 -32.473 -11.866 529 H GLN 65 HN GLN 65 24.029 -30.443 -16.318 530 HA GLN 65 HA GLN 65 23.174 -32.192 -18.511 531 1HB GLN 65 HB1 GLN 65 23.429 -29.178 -18.287 532 2HB GLN 65 HB2 GLN 65 22.900 -30.000 -19.742 533 1HG GLN 65 HG1 GLN 65 20.938 -30.928 -18.549 534 2HG GLN 65 HG2 GLN 65 21.455 -30.167 -17.059 535 1HE2 GLN 65 HE21 GLN 65 19.695 -27.262 -17.935 536 2HE2 GLN 65 HE22 GLN 65 20.230 -28.309 -16.645 Start of MODEL 13 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 21.233 -44.427 1.379 2 2H MET 1 HT1 MET 1 19.555 -44.194 1.424 3 3H MET 1 HT3 MET 1 20.243 -45.545 2.166 4 HA MET 1 HA MET 1 20.982 -46.399 0.079 5 1HB MET 1 HB1 MET 1 18.029 -45.780 0.312 6 2HB MET 1 HB2 MET 1 18.688 -46.870 -0.890 7 1HG MET 1 HG1 MET 1 19.597 -48.312 0.920 8 2HG MET 1 HG2 MET 1 18.908 -47.231 2.118 9 1HE MET 1 HE2 MET 1 18.453 -50.410 0.248 10 2HE MET 1 HE3 MET 1 16.760 -50.490 -0.197 11 3HE MET 1 HE1 MET 1 17.829 -49.420 -1.091 12 H LEU 2 HN LEU 2 18.608 -43.891 -0.850 13 HA LEU 2 HA LEU 2 18.393 -42.484 -2.583 14 1HB LEU 2 HB1 LEU 2 21.392 -42.228 -2.298 15 2HB LEU 2 HB2 LEU 2 20.356 -41.113 -3.160 16 HG LEU 2 HG LEU 2 20.052 -41.652 -0.191 17 1HD1 LEU 2 HD13 LEU 2 21.648 -39.466 -1.578 18 2HD1 LEU 2 HD11 LEU 2 21.342 -39.566 0.153 19 3HD1 LEU 2 HD12 LEU 2 22.322 -40.793 -0.637 20 1HD2 LEU 2 HD23 LEU 2 18.101 -40.555 -1.293 21 2HD2 LEU 2 HD21 LEU 2 18.917 -39.464 -0.177 22 3HD2 LEU 2 HD22 LEU 2 19.167 -39.307 -1.913 23 H GLN 3 HN GLN 3 21.471 -43.718 -3.668 24 HA GLN 3 HA GLN 3 20.727 -43.866 -6.430 25 1HB GLN 3 HB1 GLN 3 22.985 -43.269 -5.405 26 2HB GLN 3 HB2 GLN 3 23.190 -44.962 -5.019 27 1HG GLN 3 HG1 GLN 3 24.420 -44.352 -7.052 28 2HG GLN 3 HG2 GLN 3 23.174 -45.524 -7.429 29 1HE2 GLN 3 HE21 GLN 3 21.918 -43.471 -9.925 30 2HE2 GLN 3 HE22 GLN 3 22.250 -45.079 -9.324 31 H LYS 4 HN LYS 4 21.440 -46.271 -3.948 32 HA LYS 4 HA LYS 4 20.742 -48.611 -5.374 33 1HB LYS 4 HB1 LYS 4 20.778 -48.038 -2.408 34 2HB LYS 4 HB2 LYS 4 20.523 -49.634 -3.094 35 1HG LYS 4 HG1 LYS 4 22.741 -49.451 -4.253 36 2HG LYS 4 HG2 LYS 4 23.016 -47.928 -3.438 37 1HD LYS 4 HD1 LYS 4 22.570 -50.557 -1.996 38 2HD LYS 4 HD2 LYS 4 24.149 -49.917 -2.399 39 1HE LYS 4 HE1 LYS 4 23.664 -47.905 -1.004 40 2HE LYS 4 HE2 LYS 4 22.122 -48.627 -0.541 41 1HZ LYS 4 HZ2 LYS 4 23.311 -50.558 0.284 42 2HZ LYS 4 HZ3 LYS 4 24.785 -49.864 -0.150 43 3HZ LYS 4 HZ1 LYS 4 23.856 -49.164 1.077 44 H LYS 5 HN LYS 5 18.710 -46.241 -3.830 45 HA LYS 5 HA LYS 5 16.322 -47.821 -3.668 46 1HB LYS 5 HB1 LYS 5 16.783 -45.887 -2.211 47 2HB LYS 5 HB2 LYS 5 16.741 -44.821 -3.597 48 1HG LYS 5 HG1 LYS 5 14.684 -44.578 -2.463 49 2HG LYS 5 HG2 LYS 5 14.322 -45.451 -3.920 50 1HD LYS 5 HD1 LYS 5 14.725 -47.547 -2.140 51 2HD LYS 5 HD2 LYS 5 14.136 -46.297 -1.072 52 1HE LYS 5 HE1 LYS 5 12.243 -47.545 -1.803 53 2HE LYS 5 HE2 LYS 5 12.178 -45.996 -2.642 54 1HZ LYS 5 HZ1 LYS 5 13.311 -47.042 -4.543 55 2HZ LYS 5 HZ2 LYS 5 13.390 -48.529 -3.787 56 3HZ LYS 5 HZ3 LYS 5 11.831 -47.861 -4.247 57 H ILE 6 HN ILE 6 17.344 -45.296 -6.081 58 HA ILE 6 HA ILE 6 15.276 -45.898 -7.956 59 HB ILE 6 HB ILE 6 18.093 -45.324 -8.895 60 1HG1 ILE 6 HG11 ILE 6 16.742 -42.961 -9.297 61 2HG1 ILE 6 HG12 ILE 6 16.126 -43.479 -7.754 62 1HG2 ILE 6 HG21 ILE 6 15.442 -44.975 -10.412 63 2HG2 ILE 6 HG22 ILE 6 17.009 -44.445 -10.972 64 3HG2 ILE 6 HG23 ILE 6 16.694 -46.148 -10.748 65 1HD1 ILE 6 HD13 ILE 6 19.077 -43.238 -8.464 66 2HD1 ILE 6 HD11 ILE 6 18.153 -42.070 -7.527 67 3HD1 ILE 6 HD12 ILE 6 18.435 -43.681 -6.883 68 H GLU 7 HN GLU 7 18.477 -47.418 -7.593 69 HA GLU 7 HA GLU 7 18.144 -49.306 -9.660 70 1HB GLU 7 HB1 GLU 7 20.026 -49.176 -7.327 71 2HB GLU 7 HB2 GLU 7 20.047 -50.523 -8.447 72 1HG GLU 7 HG1 GLU 7 20.937 -49.279 -10.171 73 2HG GLU 7 HG2 GLU 7 20.033 -47.842 -9.769 74 H GLU 8 HN GLU 8 17.490 -50.056 -6.070 75 HA GLU 8 HA GLU 8 16.488 -52.580 -7.005 76 1HB GLU 8 HB1 GLU 8 15.724 -53.121 -4.804 77 2HB GLU 8 HB2 GLU 8 17.365 -52.537 -4.799 78 1HG GLU 8 HG1 GLU 8 16.324 -51.709 -2.817 79 2HG GLU 8 HG2 GLU 8 16.536 -50.338 -3.885 80 H GLU 9 HN GLU 9 14.711 -49.471 -6.808 81 HA GLU 9 HA GLU 9 12.261 -50.900 -7.419 82 1HB GLU 9 HB1 GLU 9 12.808 -48.293 -6.696 83 2HB GLU 9 HB2 GLU 9 12.462 -48.104 -8.396 84 1HG GLU 9 HG1 GLU 9 10.311 -47.932 -7.445 85 2HG GLU 9 HG2 GLU 9 10.348 -49.617 -7.917 86 H ALA 10 HN ALA 10 14.135 -48.770 -9.573 87 HA ALA 10 HA ALA 10 13.030 -49.946 -11.966 88 1HB ALA 10 HB1 ALA 10 15.359 -48.063 -11.530 89 2HB ALA 10 HB2 ALA 10 14.626 -48.437 -13.093 90 3HB ALA 10 HB3 ALA 10 13.679 -47.619 -11.853 91 H ALA 11 HN ALA 11 15.931 -51.337 -10.306 92 HA ALA 11 HA ALA 11 16.339 -52.977 -12.648 93 1HB ALA 11 HB2 ALA 11 17.044 -53.490 -9.737 94 2HB ALA 11 HB3 ALA 11 17.566 -54.505 -11.102 95 3HB ALA 11 HB1 ALA 11 18.100 -52.830 -10.976 96 H LYS 12 HN LYS 12 14.323 -53.317 -9.759 97 HA LYS 12 HA LYS 12 13.406 -55.973 -10.555 98 1HB LYS 12 HB1 LYS 12 12.807 -54.315 -8.092 99 2HB LYS 12 HB2 LYS 12 12.223 -55.939 -8.359 100 1HG LYS 12 HG1 LYS 12 15.150 -55.174 -8.150 101 2HG LYS 12 HG2 LYS 12 14.189 -55.780 -6.822 102 1HD LYS 12 HD1 LYS 12 13.849 -57.916 -7.993 103 2HD LYS 12 HD2 LYS 12 14.774 -57.347 -9.366 104 1HE LYS 12 HE1 LYS 12 15.909 -57.611 -6.570 105 2HE LYS 12 HE2 LYS 12 16.017 -58.868 -7.795 106 1HZ LYS 12 HZ2 LYS 12 17.107 -57.280 -9.263 107 2HZ LYS 12 HZ3 LYS 12 17.041 -56.098 -8.062 108 3HZ LYS 12 HZ1 LYS 12 17.993 -57.478 -7.832 109 OH TYR 13 OH TYR 13 12.629 -49.950 -17.362 110 H TYR 13 HN TYR 13 12.680 -54.784 -12.464 111 HA TYR 13 HA TYR 13 10.391 -53.301 -12.816 112 1HB TYR 13 HB1 TYR 13 11.936 -55.267 -14.412 113 2HB TYR 13 HB2 TYR 13 10.295 -55.036 -14.947 114 HD1 TYR 13 HD1 TYR 13 12.597 -52.274 -13.542 115 HD2 TYR 13 HD2 TYR 13 10.573 -53.916 -16.938 116 HE1 TYR 13 HE1 TYR 13 13.269 -50.380 -14.899 117 HE2 TYR 13 HE2 TYR 13 11.225 -51.962 -18.251 118 HH TYR 13 HH TYR 13 12.319 -50.039 -18.263 119 H LYS 14 HN LYS 14 10.291 -56.530 -11.593 120 HA LYS 14 HA LYS 14 7.551 -57.109 -11.832 121 1HB LYS 14 HB1 LYS 14 9.462 -57.589 -9.516 122 2HB LYS 14 HB2 LYS 14 7.867 -58.304 -9.649 123 1HG LYS 14 HG1 LYS 14 8.525 -59.477 -11.713 124 2HG LYS 14 HG2 LYS 14 10.123 -58.751 -11.642 125 1HD LYS 14 HD1 LYS 14 10.523 -59.873 -9.458 126 2HD LYS 14 HD2 LYS 14 8.934 -60.619 -9.564 127 1HE LYS 14 HE1 LYS 14 9.608 -61.767 -11.648 128 2HE LYS 14 HE2 LYS 14 11.202 -61.019 -11.543 129 1HZ LYS 14 HZ3 LYS 14 11.500 -62.048 -9.379 130 2HZ LYS 14 HZ1 LYS 14 9.974 -62.764 -9.481 131 3HZ LYS 14 HZ2 LYS 14 11.200 -63.236 -10.547 132 OH TYR 15 OH TYR 15 10.632 -56.577 -3.967 133 H TYR 15 HN TYR 15 9.149 -54.693 -9.720 134 HA TYR 15 HA TYR 15 6.633 -53.971 -8.410 135 1HB TYR 15 HB1 TYR 15 9.333 -52.589 -8.393 136 2HB TYR 15 HB2 TYR 15 7.995 -52.218 -7.333 137 HD1 TYR 15 HD1 TYR 15 7.395 -55.405 -6.859 138 HD2 TYR 15 HD2 TYR 15 10.809 -52.888 -6.497 139 HE1 TYR 15 HE1 TYR 15 8.334 -56.905 -5.179 140 HE2 TYR 15 HE2 TYR 15 11.743 -54.419 -4.816 141 HH TYR 15 HH TYR 15 10.039 -57.313 -3.810 142 H ALA 16 HN ALA 16 5.825 -53.867 -10.680 143 HA ALA 16 HA ALA 16 6.734 -52.211 -12.697 144 1HB ALA 16 HB2 ALA 16 3.957 -53.348 -12.269 145 2HB ALA 16 HB3 ALA 16 4.560 -52.702 -13.794 146 3HB ALA 16 HB1 ALA 16 5.315 -54.120 -13.082 147 H MET 17 HN MET 17 3.930 -51.492 -10.661 148 HA MET 17 HA MET 17 3.398 -48.878 -11.656 149 1HB MET 17 HB1 MET 17 1.792 -50.400 -10.484 150 2HB MET 17 HB2 MET 17 2.661 -50.133 -8.986 151 1HG MET 17 HG1 MET 17 2.073 -47.720 -9.075 152 2HG MET 17 HG2 MET 17 1.224 -47.982 -10.584 153 1HE MET 17 HE3 MET 17 -0.874 -49.836 -10.719 154 2HE MET 17 HE1 MET 17 -2.141 -49.329 -9.617 155 3HE MET 17 HE2 MET 17 -1.309 -48.118 -10.578 156 H LEU 18 HN LEU 18 5.582 -50.029 -9.157 157 HA LEU 18 HA LEU 18 5.933 -47.405 -7.945 158 1HB LEU 18 HB1 LEU 18 7.348 -50.010 -7.327 159 2HB LEU 18 HB2 LEU 18 7.382 -48.549 -6.359 160 HG LEU 18 HG LEU 18 4.932 -50.265 -6.863 161 1HD1 LEU 18 HD11 LEU 18 6.625 -49.898 -4.378 162 2HD1 LEU 18 HD12 LEU 18 5.134 -50.831 -4.470 163 3HD1 LEU 18 HD13 LEU 18 6.552 -51.344 -5.377 164 1HD2 LEU 18 HD23 LEU 18 5.266 -47.825 -5.101 165 2HD2 LEU 18 HD21 LEU 18 4.300 -47.896 -6.569 166 3HD2 LEU 18 HD22 LEU 18 3.828 -48.847 -5.162 167 H LYS 19 HN LYS 19 8.050 -49.615 -9.898 168 HA LYS 19 HA LYS 19 9.928 -47.512 -10.283 169 1HB LYS 19 HB1 LYS 19 10.849 -48.835 -12.107 170 2HB LYS 19 HB2 LYS 19 10.442 -49.902 -10.787 171 1HG LYS 19 HG1 LYS 19 9.590 -51.198 -12.428 172 2HG LYS 19 HG2 LYS 19 8.184 -50.181 -12.244 173 1HD LYS 19 HD1 LYS 19 9.176 -48.715 -14.126 174 2HD LYS 19 HD2 LYS 19 10.343 -49.982 -14.354 175 1HE LYS 19 HE1 LYS 19 8.741 -50.481 -15.956 176 2HE LYS 19 HE2 LYS 19 8.316 -51.566 -14.640 177 1HZ LYS 19 HZ3 LYS 19 7.134 -48.893 -15.118 178 2HZ LYS 19 HZ1 LYS 19 6.372 -50.356 -15.481 179 3HZ LYS 19 HZ2 LYS 19 6.640 -49.915 -13.855 180 H LYS 20 HN LYS 20 6.840 -48.168 -12.113 181 HA LYS 20 HA LYS 20 7.230 -46.013 -13.923 182 1HB LYS 20 HB1 LYS 20 5.353 -47.726 -14.030 183 2HB LYS 20 HB2 LYS 20 4.594 -46.915 -12.678 184 1HG LYS 20 HG1 LYS 20 4.566 -44.793 -14.128 185 2HG LYS 20 HG2 LYS 20 5.039 -45.813 -15.469 186 1HD LYS 20 HD1 LYS 20 3.012 -47.132 -15.269 187 2HD LYS 20 HD2 LYS 20 2.554 -46.300 -13.798 188 1HE LYS 20 HE1 LYS 20 2.833 -44.950 -16.500 189 2HE LYS 20 HE2 LYS 20 1.315 -45.559 -15.854 190 1HZ LYS 20 HZ2 LYS 20 1.631 -44.125 -13.911 191 2HZ LYS 20 HZ3 LYS 20 3.046 -43.503 -14.575 192 3HZ LYS 20 HZ1 LYS 20 1.571 -43.208 -15.330 193 H CYS 21 HN CYS 21 5.907 -45.932 -10.499 194 HA CYS 21 HA CYS 21 5.604 -43.180 -10.270 195 1HB CYS 21 HB1 CYS 21 5.106 -45.140 -8.677 196 2HB CYS 21 HB2 CYS 21 6.748 -44.936 -8.102 197 H CYS 22 HN CYS 22 8.694 -44.965 -9.660 198 HA CYS 22 HA CYS 22 10.619 -42.879 -9.765 199 1HB CYS 22 HB1 CYS 22 10.835 -45.493 -9.720 200 2HB CYS 22 HB2 CYS 22 11.210 -45.194 -11.381 201 OH TYR 23 OH TYR 23 14.002 -47.451 -15.199 202 H TYR 23 HN TYR 23 9.229 -44.308 -12.636 203 HA TYR 23 HA TYR 23 10.598 -42.347 -14.181 204 1HB TYR 23 HB1 TYR 23 8.622 -44.435 -14.940 205 2HB TYR 23 HB2 TYR 23 9.622 -43.515 -16.050 206 HD1 TYR 23 HD1 TYR 23 9.793 -46.238 -16.183 207 HD2 TYR 23 HD2 TYR 23 11.879 -44.147 -13.061 208 HE1 TYR 23 HE1 TYR 23 11.802 -47.701 -16.484 209 HE2 TYR 23 HE2 TYR 23 13.818 -45.467 -13.512 210 HH TYR 23 HH TYR 23 14.721 -47.138 -14.651 211 H ASP 24 HN ASP 24 7.282 -42.363 -13.046 212 HA ASP 24 HA ASP 24 6.415 -39.876 -14.041 213 1HB ASP 24 HB1 ASP 24 5.392 -41.668 -12.279 214 2HB ASP 24 HB2 ASP 24 5.930 -40.463 -11.125 215 H GLY 25 HN GLY 25 8.431 -40.390 -11.087 216 1HA GLY 25 HA1 GLY 25 9.136 -37.665 -10.729 217 2HA GLY 25 HA2 GLY 25 10.032 -39.024 -10.106 218 H ALA 26 HN ALA 26 10.863 -40.117 -12.641 219 HA ALA 26 HA ALA 26 12.989 -38.488 -13.506 220 1HB ALA 26 HB2 ALA 26 12.959 -40.892 -13.935 221 2HB ALA 26 HB3 ALA 26 11.634 -40.682 -15.083 222 3HB ALA 26 HB1 ALA 26 13.215 -39.993 -15.427 223 OH TYR 27 OH TYR 27 5.241 -33.625 -19.531 224 H TYR 27 HN TYR 27 9.736 -38.782 -15.045 225 HA TYR 27 HA TYR 27 10.151 -36.508 -16.748 226 1HB TYR 27 HB1 TYR 27 8.457 -38.268 -17.156 227 2HB TYR 27 HB2 TYR 27 7.604 -37.785 -15.706 228 HD1 TYR 27 HD1 TYR 27 8.827 -36.246 -18.938 229 HD2 TYR 27 HD2 TYR 27 5.797 -36.301 -15.957 230 HE1 TYR 27 HE1 TYR 27 7.522 -34.587 -20.211 231 HE2 TYR 27 HE2 TYR 27 4.500 -34.669 -17.247 232 HH TYR 27 HH TYR 27 4.419 -33.422 -19.083 233 NH1 ARG 28 NH1 ARG 28 10.972 -28.505 -10.357 234 NH2 ARG 28 NH2 ARG 28 12.992 -29.326 -10.326 235 H ARG 28 HN ARG 28 11.278 -35.223 -15.004 236 HA ARG 28 HA ARG 28 9.688 -33.889 -13.035 237 1HB ARG 28 HB1 ARG 28 12.074 -34.313 -12.799 238 2HB ARG 28 HB2 ARG 28 12.430 -33.161 -14.070 239 1HG ARG 28 HG1 ARG 28 10.820 -32.163 -11.741 240 2HG ARG 28 HG2 ARG 28 12.472 -32.589 -11.407 241 1HD ARG 28 HD1 ARG 28 13.336 -30.794 -12.527 242 2HD ARG 28 HD2 ARG 28 12.099 -30.821 -13.770 243 HE ARG 28 HE ARG 28 10.633 -29.554 -12.370 244 1HH1 ARG 28 HH12 ARG 28 10.043 -28.465 -10.745 245 2HH1 ARG 28 HH11 ARG 28 11.221 -27.978 -9.562 246 1HH2 ARG 28 HH22 ARG 28 13.730 -29.896 -10.710 247 2HH2 ARG 28 HH21 ARG 28 13.140 -28.804 -9.504 248 H ASN 29 HN ASN 29 8.573 -32.080 -13.079 249 HA ASN 29 HA ASN 29 8.016 -30.773 -15.626 250 1HB ASN 29 HB1 ASN 29 6.115 -31.579 -14.344 251 2HB ASN 29 HB2 ASN 29 6.649 -30.718 -12.912 252 1HD2 ASN 29 HD21 ASN 29 5.333 -28.217 -15.837 253 2HD2 ASN 29 HD22 ASN 29 5.575 -29.870 -16.331 254 H ASP 30 HN ASP 30 8.435 -28.722 -16.117 255 HA ASP 30 HA ASP 30 10.366 -27.123 -14.841 256 1HB ASP 30 HB1 ASP 30 8.252 -26.319 -16.899 257 2HB ASP 30 HB2 ASP 30 9.740 -25.446 -16.559 258 H ASP 31 HN ASP 31 6.921 -27.142 -14.357 259 HA ASP 31 HA ASP 31 6.846 -24.435 -13.216 260 1HB ASP 31 HB1 ASP 31 4.484 -26.331 -13.568 261 2HB ASP 31 HB2 ASP 31 4.461 -24.576 -13.462 262 H GLU 32 HN GLU 32 5.618 -27.663 -12.177 263 HA GLU 32 HA GLU 32 5.590 -26.881 -9.386 264 1HB GLU 32 HB1 GLU 32 5.146 -29.560 -10.728 265 2HB GLU 32 HB2 GLU 32 4.977 -29.292 -9.003 266 1HG GLU 32 HG1 GLU 32 3.158 -27.574 -9.540 267 2HG GLU 32 HG2 GLU 32 3.268 -28.081 -11.219 268 H THR 33 HN THR 33 6.869 -27.764 -7.690 269 HA THR 33 HA THR 33 9.271 -29.277 -8.467 270 HB THR 33 HB THR 33 9.764 -27.500 -6.966 271 HG1 THR 33 HG1 THR 33 10.137 -29.765 -5.304 272 1HG2 THR 33 HG21 THR 33 8.062 -28.873 -4.870 273 2HG2 THR 33 HG22 THR 33 9.178 -27.543 -4.610 274 3HG2 THR 33 HG23 THR 33 7.739 -27.300 -5.594 275 H CYS 34 HN CYS 34 9.807 -31.212 -7.191 276 HA CYS 34 HA CYS 34 7.950 -33.158 -8.007 277 1HB CYS 34 HB1 CYS 34 10.431 -33.386 -6.295 278 2HB CYS 34 HB2 CYS 34 9.526 -34.775 -6.856 279 H GLU 35 HN GLU 35 8.454 -31.870 -4.785 280 HA GLU 35 HA GLU 35 7.417 -34.129 -3.354 281 1HB GLU 35 HB1 GLU 35 7.813 -31.225 -2.446 282 2HB GLU 35 HB2 GLU 35 7.547 -32.582 -1.381 283 1HG GLU 35 HG1 GLU 35 9.868 -32.064 -1.241 284 2HG GLU 35 HG2 GLU 35 9.761 -33.547 -2.150 285 H GLU 36 HN GLU 36 5.936 -30.928 -3.980 286 HA GLU 36 HA GLU 36 3.421 -31.532 -2.788 287 1HB GLU 36 HB1 GLU 36 4.328 -29.421 -4.762 288 2HB GLU 36 HB2 GLU 36 2.662 -29.531 -4.240 289 1HG GLU 36 HG1 GLU 36 3.877 -27.827 -2.933 290 2HG GLU 36 HG2 GLU 36 3.320 -29.117 -1.895 291 NH1 ARG 37 NH1 ARG 37 5.644 -36.328 -12.726 292 NH2 ARG 37 NH2 ARG 37 6.532 -34.348 -12.805 293 H ARG 37 HN ARG 37 4.455 -31.597 -6.157 294 HA ARG 37 HA ARG 37 2.196 -32.731 -7.371 295 1HB ARG 37 HB1 ARG 37 4.001 -31.802 -8.664 296 2HB ARG 37 HB2 ARG 37 5.160 -32.925 -7.983 297 1HG ARG 37 HG1 ARG 37 4.121 -34.785 -9.144 298 2HG ARG 37 HG2 ARG 37 2.827 -33.761 -9.742 299 1HD ARG 37 HD1 ARG 37 4.259 -32.695 -11.282 300 2HD ARG 37 HD2 ARG 37 5.715 -33.229 -10.419 301 HE ARG 37 HE ARG 37 3.981 -35.386 -11.426 302 1HH1 ARG 37 HH12 ARG 37 4.959 -37.013 -12.431 303 2HH1 ARG 37 HH11 ARG 37 6.403 -36.616 -13.310 304 1HH2 ARG 37 HH22 ARG 37 6.521 -33.408 -12.519 305 2HH2 ARG 37 HH21 ARG 37 7.215 -34.743 -13.459 306 H ALA 38 HN ALA 38 5.029 -34.554 -5.965 307 HA ALA 38 HA ALA 38 3.615 -36.993 -6.166 308 1HB ALA 38 HB2 ALA 38 6.238 -36.317 -4.945 309 2HB ALA 38 HB3 ALA 38 5.552 -37.965 -5.029 310 3HB ALA 38 HB1 ALA 38 5.782 -37.060 -6.513 311 H ALA 39 HN ALA 39 3.681 -34.798 -3.345 312 HA ALA 39 HA ALA 39 2.180 -36.456 -1.666 313 1HB ALA 39 HB3 ALA 39 2.977 -34.239 -1.003 314 2HB ALA 39 HB1 ALA 39 1.870 -33.477 -2.141 315 3HB ALA 39 HB2 ALA 39 1.237 -34.358 -0.751 316 NH1 ARG 40 NH1 ARG 40 0.426 -32.420 -10.164 317 NH2 ARG 40 NH2 ARG 40 -0.121 -31.394 -8.312 318 H ARG 40 HN ARG 40 1.028 -34.620 -4.490 319 HA ARG 40 HA ARG 40 -1.624 -35.702 -4.450 320 1HB ARG 40 HB1 ARG 40 -0.930 -33.621 -5.562 321 2HB ARG 40 HB2 ARG 40 0.011 -34.540 -6.712 322 1HG ARG 40 HG1 ARG 40 -2.012 -35.510 -7.675 323 2HG ARG 40 HG2 ARG 40 -3.005 -34.748 -6.447 324 1HD ARG 40 HD1 ARG 40 -3.187 -33.430 -8.450 325 2HD ARG 40 HD2 ARG 40 -2.246 -32.507 -7.306 326 HE ARG 40 HE ARG 40 -0.962 -34.136 -9.460 327 1HH1 ARG 40 HH12 ARG 40 0.308 -33.173 -10.790 328 2HH1 ARG 40 HH11 ARG 40 1.108 -31.689 -10.335 329 1HH2 ARG 40 HH22 ARG 40 -0.650 -31.377 -7.481 330 2HH2 ARG 40 HH21 ARG 40 0.566 -30.676 -8.527 331 H ILE 41 HN ILE 41 1.164 -36.873 -6.569 332 HA ILE 41 HA ILE 41 -0.001 -39.237 -7.355 333 HB ILE 41 HB ILE 41 3.006 -38.719 -6.984 334 1HG1 ILE 41 HG11 ILE 41 2.360 -39.300 -9.618 335 2HG1 ILE 41 HG12 ILE 41 0.966 -38.363 -9.053 336 1HG2 ILE 41 HG23 ILE 41 2.048 -41.264 -8.007 337 2HG2 ILE 41 HG21 ILE 41 3.631 -40.440 -8.095 338 3HG2 ILE 41 HG22 ILE 41 2.969 -40.967 -6.516 339 1HD1 ILE 41 HD11 ILE 41 3.748 -37.513 -8.474 340 2HD1 ILE 41 HD12 ILE 41 2.889 -37.002 -9.963 341 3HD1 ILE 41 HD13 ILE 41 2.288 -36.555 -8.360 342 H LYS 42 HN LYS 42 1.914 -39.150 -4.390 343 HA LYS 42 HA LYS 42 2.177 -41.122 -3.019 344 1HB LYS 42 HB1 LYS 42 1.950 -38.935 -2.130 345 2HB LYS 42 HB2 LYS 42 0.222 -38.994 -2.257 346 1HG LYS 42 HG1 LYS 42 0.234 -40.737 -0.406 347 2HG LYS 42 HG2 LYS 42 1.966 -40.478 -0.260 348 1HD LYS 42 HD1 LYS 42 1.179 -39.021 1.355 349 2HD LYS 42 HD2 LYS 42 1.294 -37.939 -0.004 350 1HE LYS 42 HE1 LYS 42 -1.227 -39.191 1.100 351 2HE LYS 42 HE2 LYS 42 -0.730 -37.517 1.258 352 1HZ LYS 42 HZ3 LYS 42 -0.863 -37.342 -1.272 353 2HZ LYS 42 HZ1 LYS 42 -1.475 -38.926 -1.226 354 3HZ LYS 42 HZ2 LYS 42 -2.347 -37.684 -0.495 355 H ILE 43 HN ILE 43 0.979 -42.396 -4.645 356 HA ILE 43 HA ILE 43 -1.148 -44.042 -3.631 357 HB ILE 43 HB ILE 43 1.187 -44.853 -5.408 358 1HG1 ILE 43 HG11 ILE 43 -1.668 -44.333 -6.268 359 2HG1 ILE 43 HG12 ILE 43 -0.487 -43.047 -6.224 360 1HG2 ILE 43 HG22 ILE 43 -1.410 -46.354 -4.882 361 2HG2 ILE 43 HG23 ILE 43 -0.204 -46.813 -6.075 362 3HG2 ILE 43 HG21 ILE 43 0.189 -46.879 -4.375 363 1HD1 ILE 43 HD13 ILE 43 0.930 -44.278 -7.852 364 2HD1 ILE 43 HD11 ILE 43 -0.276 -45.558 -7.939 365 3HD1 ILE 43 HD12 ILE 43 -0.674 -43.938 -8.491 366 H GLY 44 HN GLY 44 2.333 -44.123 -3.058 367 1HA GLY 44 HA1 GLY 44 1.884 -45.405 -0.487 368 2HA GLY 44 HA2 GLY 44 2.777 -46.398 -1.611 369 HA PRO 45 HA PRO 45 5.741 -43.385 0.903 370 1HB PRO 45 HB1 PRO 45 6.319 -46.121 2.090 371 2HB PRO 45 HB2 PRO 45 6.561 -44.511 2.797 372 1HG PRO 45 HG1 PRO 45 4.396 -45.836 3.490 373 2HG PRO 45 HG2 PRO 45 4.201 -44.138 3.003 374 1HD PRO 45 HD1 PRO 45 3.724 -46.646 1.361 375 2HD PRO 45 HD2 PRO 45 2.698 -45.206 1.544 376 H LYS 46 HN LYS 46 6.257 -46.681 -0.260 377 HA LYS 46 HA LYS 46 8.933 -46.357 -1.171 378 1HB LYS 46 HB1 LYS 46 7.386 -48.507 -0.678 379 2HB LYS 46 HB2 LYS 46 7.133 -48.421 -2.410 380 1HG LYS 46 HG1 LYS 46 9.605 -48.490 -2.741 381 2HG LYS 46 HG2 LYS 46 9.822 -48.622 -1.001 382 1HD LYS 46 HD1 LYS 46 8.380 -50.739 -1.117 383 2HD LYS 46 HD2 LYS 46 8.521 -50.631 -2.859 384 1HE LYS 46 HE1 LYS 46 10.840 -50.943 -0.932 385 2HE LYS 46 HE2 LYS 46 10.124 -52.232 -1.890 386 1HZ LYS 46 HZ2 LYS 46 10.691 -50.933 -3.932 387 2HZ LYS 46 HZ3 LYS 46 11.414 -49.789 -2.953 388 3HZ LYS 46 HZ1 LYS 46 12.114 -51.331 -3.028 389 H CYS 47 HN CYS 47 5.849 -45.764 -2.714 390 HA CYS 47 HA CYS 47 6.738 -45.271 -5.391 391 1HB CYS 47 HB1 CYS 47 4.381 -45.770 -4.646 392 2HB CYS 47 HB2 CYS 47 4.323 -44.202 -3.911 393 H VAL 48 HN VAL 48 5.600 -42.703 -2.988 394 HA VAL 48 HA VAL 48 6.806 -40.658 -4.024 395 HB VAL 48 HB VAL 48 7.360 -40.552 -1.102 396 1HG1 VAL 48 HG12 VAL 48 7.018 -38.567 -2.695 397 2HG1 VAL 48 HG13 VAL 48 5.396 -39.235 -2.975 398 3HG1 VAL 48 HG11 VAL 48 5.819 -38.559 -1.391 399 1HG2 VAL 48 HG22 VAL 48 5.693 -42.117 -0.902 400 2HG2 VAL 48 HG23 VAL 48 5.168 -40.551 -0.268 401 3HG2 VAL 48 HG21 VAL 48 4.545 -41.139 -1.815 402 H LYS 49 HN LYS 49 8.618 -42.903 -1.943 403 HA LYS 49 HA LYS 49 11.107 -41.547 -2.232 404 1HB LYS 49 HB1 LYS 49 10.367 -43.325 -0.486 405 2HB LYS 49 HB2 LYS 49 10.988 -44.484 -1.634 406 1HG LYS 49 HG1 LYS 49 12.830 -44.072 -0.216 407 2HG LYS 49 HG2 LYS 49 13.173 -43.061 -1.604 408 1HD LYS 49 HD1 LYS 49 12.077 -41.129 -0.283 409 2HD LYS 49 HD2 LYS 49 12.104 -42.203 1.095 410 1HE LYS 49 HE1 LYS 49 14.035 -40.886 1.327 411 2HE LYS 49 HE2 LYS 49 14.620 -42.428 0.712 412 1HZ LYS 49 HZ2 LYS 49 13.993 -40.071 -0.979 413 2HZ LYS 49 HZ3 LYS 49 15.553 -40.513 -0.514 414 3HZ LYS 49 HZ1 LYS 49 14.683 -41.504 -1.575 415 H ALA 50 HN ALA 50 10.084 -44.486 -4.199 416 HA ALA 50 HA ALA 50 12.100 -44.526 -6.197 417 1HB ALA 50 HB3 ALA 50 10.177 -46.050 -6.027 418 2HB ALA 50 HB1 ALA 50 9.104 -44.775 -6.564 419 3HB ALA 50 HB2 ALA 50 10.331 -45.419 -7.657 420 H PHE 51 HN PHE 51 9.173 -42.434 -6.106 421 HA PHE 51 HA PHE 51 9.622 -40.799 -8.322 422 1HB PHE 51 HB1 PHE 51 7.591 -41.065 -6.715 423 2HB PHE 51 HB2 PHE 51 8.361 -39.859 -5.720 424 HD1 PHE 51 HD1 PHE 51 8.985 -37.547 -7.053 425 HD2 PHE 51 HD2 PHE 51 5.885 -40.243 -8.165 426 HE1 PHE 51 HE1 PHE 51 8.068 -35.899 -8.616 427 HE2 PHE 51 HE2 PHE 51 5.035 -38.704 -9.682 428 HZ PHE 51 HZ PHE 51 6.108 -36.462 -9.981 429 H LYS 52 HN LYS 52 10.445 -39.902 -4.905 430 HA LYS 52 HA LYS 52 11.768 -37.534 -5.595 431 1HB LYS 52 HB1 LYS 52 10.859 -37.929 -3.384 432 2HB LYS 52 HB2 LYS 52 11.980 -39.234 -3.104 433 1HG LYS 52 HG1 LYS 52 12.639 -37.246 -1.846 434 2HG LYS 52 HG2 LYS 52 13.866 -37.634 -3.032 435 1HD LYS 52 HD1 LYS 52 12.950 -35.833 -4.519 436 2HD LYS 52 HD2 LYS 52 11.790 -35.425 -3.264 437 1HE LYS 52 HE1 LYS 52 13.581 -34.799 -1.748 438 2HE LYS 52 HE2 LYS 52 14.800 -35.383 -2.885 439 1HZ LYS 52 HZ3 LYS 52 13.965 -33.781 -4.512 440 2HZ LYS 52 HZ1 LYS 52 12.811 -33.142 -3.432 441 3HZ LYS 52 HZ2 LYS 52 14.487 -32.982 -3.118 442 H ASP 53 HN ASP 53 13.193 -40.826 -5.231 443 HA ASP 53 HA ASP 53 15.865 -39.787 -5.574 444 1HB ASP 53 HB1 ASP 53 14.735 -42.572 -5.402 445 2HB ASP 53 HB2 ASP 53 16.437 -42.272 -5.754 446 H CYS 54 HN CYS 54 13.636 -41.400 -7.950 447 HA CYS 54 HA CYS 54 15.270 -40.801 -10.165 448 1HB CYS 54 HB1 CYS 54 12.389 -41.356 -9.783 449 2HB CYS 54 HB2 CYS 54 12.879 -40.662 -11.302 450 H CYS 55 HN CYS 55 12.905 -38.565 -8.570 451 HA CYS 55 HA CYS 55 13.339 -36.319 -10.161 452 1HB CYS 55 HB1 CYS 55 11.704 -36.476 -8.337 453 2HB CYS 55 HB2 CYS 55 13.001 -36.457 -7.166 454 OH TYR 56 OH TYR 56 22.969 -39.762 -7.302 455 H TYR 56 HN TYR 56 15.407 -37.340 -7.389 456 HA TYR 56 HA TYR 56 17.495 -35.522 -7.758 457 1HB TYR 56 HB1 TYR 56 17.877 -36.615 -5.838 458 2HB TYR 56 HB2 TYR 56 17.151 -38.094 -6.390 459 HD1 TYR 56 HD1 TYR 56 20.379 -36.166 -6.512 460 HD2 TYR 56 HD2 TYR 56 18.480 -39.915 -7.090 461 HE1 TYR 56 HE1 TYR 56 22.578 -37.261 -6.774 462 HE2 TYR 56 HE2 TYR 56 20.682 -40.992 -7.343 463 HH TYR 56 HH TYR 56 22.865 -40.711 -7.533 464 H ILE 57 HN ILE 57 17.346 -38.756 -9.409 465 HA ILE 57 HA ILE 57 19.409 -38.283 -11.243 466 HB ILE 57 HB ILE 57 16.805 -39.742 -11.740 467 1HG1 ILE 57 HG11 ILE 57 17.850 -40.842 -9.961 468 2HG1 ILE 57 HG12 ILE 57 18.113 -41.838 -11.375 469 1HG2 ILE 57 HG23 ILE 57 19.305 -39.968 -13.434 470 2HG2 ILE 57 HG21 ILE 57 17.922 -41.052 -13.526 471 3HG2 ILE 57 HG22 ILE 57 17.737 -39.363 -13.946 472 1HD1 ILE 57 HD11 ILE 57 20.433 -40.888 -11.556 473 2HD1 ILE 57 HD12 ILE 57 20.101 -39.969 -10.088 474 3HD1 ILE 57 HD13 ILE 57 20.157 -41.727 -10.025 475 H ALA 58 HN ALA 58 16.058 -37.488 -11.808 476 HA ALA 58 HA ALA 58 16.222 -36.188 -14.298 477 1HB ALA 58 HB3 ALA 58 14.127 -36.759 -13.238 478 2HB ALA 58 HB1 ALA 58 14.369 -35.513 -12.022 479 3HB ALA 58 HB2 ALA 58 14.156 -35.072 -13.716 480 H ASN 59 HN ASN 59 16.465 -34.524 -11.106 481 HA ASN 59 HA ASN 59 17.189 -32.026 -12.302 482 1HB ASN 59 HB1 ASN 59 17.336 -32.905 -9.429 483 2HB ASN 59 HB2 ASN 59 17.752 -31.288 -9.990 484 1HD2 ASN 59 HD21 ASN 59 13.960 -32.212 -9.383 485 2HD2 ASN 59 HD22 ASN 59 15.044 -33.557 -9.602 486 H GLN 60 HN GLN 60 19.264 -34.674 -11.085 487 HA GLN 60 HA GLN 60 21.758 -33.449 -11.581 488 1HB GLN 60 HB1 GLN 60 21.320 -35.606 -10.402 489 2HB GLN 60 HB2 GLN 60 20.919 -36.340 -11.933 490 1HG GLN 60 HG1 GLN 60 23.257 -36.031 -12.722 491 2HG GLN 60 HG2 GLN 60 23.678 -35.272 -11.194 492 1HE2 GLN 60 HE21 GLN 60 23.545 -38.421 -9.433 493 2HE2 GLN 60 HE22 GLN 60 23.299 -36.722 -9.198 494 H VAL 61 HN VAL 61 19.788 -35.429 -13.865 495 HA VAL 61 HA VAL 61 21.349 -34.899 -16.173 496 HB VAL 61 HB VAL 61 18.456 -35.728 -15.901 497 1HG1 VAL 61 HG12 VAL 61 20.166 -35.830 -18.418 498 2HG1 VAL 61 HG13 VAL 61 18.574 -36.559 -18.232 499 3HG1 VAL 61 HG11 VAL 61 18.747 -34.815 -18.192 500 1HG2 VAL 61 HG21 VAL 61 20.974 -37.320 -16.527 501 2HG2 VAL 61 HG22 VAL 61 20.066 -37.365 -15.018 502 3HG2 VAL 61 HG23 VAL 61 19.340 -37.976 -16.497 503 NH1 ARG 62 NH1 ARG 62 13.691 -26.782 -16.999 504 NH2 ARG 62 NH2 ARG 62 13.406 -28.867 -17.486 505 H ARG 62 HN ARG 62 18.555 -33.031 -14.896 506 HA ARG 62 HA ARG 62 18.581 -30.967 -16.804 507 1HB ARG 62 HB1 ARG 62 16.974 -31.430 -14.828 508 2HB ARG 62 HB2 ARG 62 18.118 -30.563 -13.840 509 1HG ARG 62 HG1 ARG 62 16.576 -28.911 -14.320 510 2HG ARG 62 HG2 ARG 62 17.790 -28.604 -15.547 511 1HD ARG 62 HD1 ARG 62 16.442 -29.764 -17.230 512 2HD ARG 62 HD2 ARG 62 15.273 -30.232 -15.987 513 HE ARG 62 HE ARG 62 15.757 -27.365 -16.117 514 1HH1 ARG 62 HH12 ARG 62 14.210 -26.024 -16.639 515 2HH1 ARG 62 HH11 ARG 62 12.766 -26.680 -17.409 516 1HH2 ARG 62 HH22 ARG 62 13.715 -29.804 -17.498 517 2HH2 ARG 62 HH21 ARG 62 12.530 -28.572 -17.861 518 H ALA 63 HN ALA 63 20.405 -30.926 -13.659 519 HA ALA 63 HA ALA 63 21.810 -28.531 -14.206 520 1HB ALA 63 HB2 ALA 63 21.468 -29.388 -11.950 521 2HB ALA 63 HB3 ALA 63 22.451 -30.804 -12.303 522 3HB ALA 63 HB1 ALA 63 23.193 -29.205 -12.259 523 H GLU 64 HN GLU 64 22.667 -31.827 -15.105 524 HA GLU 64 HA GLU 64 25.236 -31.438 -16.145 525 1HB GLU 64 HB1 GLU 64 23.935 -33.554 -15.881 526 2HB GLU 64 HB2 GLU 64 22.919 -33.079 -17.223 527 1HG GLU 64 HG1 GLU 64 24.923 -33.221 -18.752 528 2HG GLU 64 HG2 GLU 64 25.882 -33.781 -17.388 529 H GLN 65 HN GLN 65 22.220 -30.118 -17.456 530 HA GLN 65 HA GLN 65 23.474 -29.655 -20.083 531 1HB GLN 65 HB1 GLN 65 20.601 -29.578 -19.133 532 2HB GLN 65 HB2 GLN 65 21.090 -29.102 -20.750 533 1HG GLN 65 HG1 GLN 65 21.804 -31.334 -21.316 534 2HG GLN 65 HG2 GLN 65 21.706 -31.879 -19.649 535 1HE2 GLN 65 HE21 GLN 65 18.266 -32.549 -19.853 536 2HE2 GLN 65 HE22 GLN 65 19.667 -32.465 -18.806 Start of MODEL 14 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 17.664 -39.541 -3.075 2 2H MET 1 HT3 MET 1 16.882 -40.925 -2.446 3 3H MET 1 HT2 MET 1 16.602 -39.378 -1.772 4 HA MET 1 HA MET 1 18.893 -39.283 -1.038 5 1HB MET 1 HB1 MET 1 17.329 -41.756 -0.227 6 2HB MET 1 HB2 MET 1 18.720 -41.148 0.647 7 1HG MET 1 HG1 MET 1 17.503 -39.055 1.158 8 2HG MET 1 HG2 MET 1 16.108 -39.639 0.269 9 1HE MET 1 HE3 MET 1 18.532 -40.547 3.300 10 2HE MET 1 HE1 MET 1 17.494 -39.158 3.686 11 3HE MET 1 HE2 MET 1 17.288 -40.682 4.529 12 H LEU 2 HN LEU 2 18.230 -42.583 -2.405 13 HA LEU 2 HA LEU 2 21.145 -42.884 -2.713 14 1HB LEU 2 HB1 LEU 2 19.303 -44.799 -1.282 15 2HB LEU 2 HB2 LEU 2 20.869 -45.301 -1.866 16 HG LEU 2 HG LEU 2 20.464 -43.093 0.165 17 1HD1 LEU 2 HD11 LEU 2 19.716 -45.264 1.058 18 2HD1 LEU 2 HD12 LEU 2 21.237 -46.005 0.572 19 3HD1 LEU 2 HD13 LEU 2 21.218 -44.767 1.823 20 1HD2 LEU 2 HD22 LEU 2 22.974 -44.609 -0.653 21 2HD2 LEU 2 HD23 LEU 2 22.632 -42.921 -1.025 22 3HD2 LEU 2 HD21 LEU 2 22.867 -43.419 0.639 23 H GLN 3 HN GLN 3 21.816 -43.695 -4.438 24 HA GLN 3 HA GLN 3 20.485 -44.508 -6.730 25 1HB GLN 3 HB1 GLN 3 23.027 -43.888 -6.133 26 2HB GLN 3 HB2 GLN 3 23.209 -45.625 -6.115 27 1HG GLN 3 HG1 GLN 3 23.745 -45.183 -8.316 28 2HG GLN 3 HG2 GLN 3 22.024 -45.439 -8.507 29 1HE2 GLN 3 HE21 GLN 3 22.484 -42.379 -10.365 30 2HE2 GLN 3 HE22 GLN 3 22.547 -44.108 -10.539 31 H LYS 4 HN LYS 4 21.743 -46.513 -4.142 32 HA LYS 4 HA LYS 4 20.984 -49.073 -4.951 33 1HB LYS 4 HB1 LYS 4 22.503 -48.692 -3.125 34 2HB LYS 4 HB2 LYS 4 21.306 -47.798 -2.218 35 1HG LYS 4 HG1 LYS 4 21.624 -49.951 -1.200 36 2HG LYS 4 HG2 LYS 4 20.013 -49.881 -1.862 37 1HD LYS 4 HD1 LYS 4 21.292 -51.089 -3.957 38 2HD LYS 4 HD2 LYS 4 22.345 -51.588 -2.648 39 1HE LYS 4 HE1 LYS 4 20.539 -52.640 -1.479 40 2HE LYS 4 HE2 LYS 4 19.340 -51.895 -2.532 41 1HZ LYS 4 HZ2 LYS 4 20.583 -53.109 -4.459 42 2HZ LYS 4 HZ3 LYS 4 21.260 -54.040 -3.210 43 3HZ LYS 4 HZ1 LYS 4 19.548 -54.034 -3.432 44 H LYS 5 HN LYS 5 18.916 -46.603 -3.374 45 HA LYS 5 HA LYS 5 16.696 -48.401 -3.041 46 1HB LYS 5 HB1 LYS 5 17.006 -45.435 -2.712 47 2HB LYS 5 HB2 LYS 5 15.438 -46.207 -2.588 48 1HG LYS 5 HG1 LYS 5 16.336 -47.677 -0.768 49 2HG LYS 5 HG2 LYS 5 17.870 -46.831 -0.870 50 1HD LYS 5 HD1 LYS 5 16.802 -44.729 -0.221 51 2HD LYS 5 HD2 LYS 5 15.220 -45.482 -0.249 52 1HE LYS 5 HE1 LYS 5 15.924 -47.005 1.590 53 2HE LYS 5 HE2 LYS 5 17.494 -46.204 1.634 54 1HZ LYS 5 HZ3 LYS 5 16.357 -44.101 2.047 55 2HZ LYS 5 HZ1 LYS 5 14.864 -44.878 2.006 56 3HZ LYS 5 HZ2 LYS 5 15.959 -45.225 3.251 57 H ILE 6 HN ILE 6 17.439 -45.913 -5.546 58 HA ILE 6 HA ILE 6 15.188 -46.520 -7.199 59 HB ILE 6 HB ILE 6 17.920 -45.849 -8.299 60 1HG1 ILE 6 HG11 ILE 6 16.381 -43.637 -8.733 61 2HG1 ILE 6 HG12 ILE 6 15.731 -44.191 -7.227 62 1HG2 ILE 6 HG21 ILE 6 15.222 -45.757 -9.799 63 2HG2 ILE 6 HG22 ILE 6 16.739 -45.134 -10.390 64 3HG2 ILE 6 HG23 ILE 6 16.550 -46.847 -10.120 65 1HD1 ILE 6 HD11 ILE 6 18.676 -43.661 -7.757 66 2HD1 ILE 6 HD12 ILE 6 17.593 -42.577 -6.899 67 3HD1 ILE 6 HD13 ILE 6 18.001 -44.141 -6.204 68 H GLU 7 HN GLU 7 18.410 -48.074 -7.167 69 HA GLU 7 HA GLU 7 17.933 -50.171 -8.945 70 1HB GLU 7 HB1 GLU 7 20.126 -49.610 -7.881 71 2HB GLU 7 HB2 GLU 7 19.526 -50.267 -6.372 72 1HG GLU 7 HG1 GLU 7 19.183 -52.506 -7.802 73 2HG GLU 7 HG2 GLU 7 20.328 -51.742 -8.890 74 H GLU 8 HN GLU 8 17.357 -50.442 -5.312 75 HA GLU 8 HA GLU 8 16.194 -53.007 -5.805 76 1HB GLU 8 HB1 GLU 8 17.339 -51.928 -3.638 77 2HB GLU 8 HB2 GLU 8 15.694 -51.510 -3.222 78 1HG GLU 8 HG1 GLU 8 16.291 -53.628 -2.137 79 2HG GLU 8 HG2 GLU 8 15.058 -53.936 -3.350 80 H GLU 9 HN GLU 9 14.540 -49.901 -6.008 81 HA GLU 9 HA GLU 9 12.000 -51.355 -6.379 82 1HB GLU 9 HB1 GLU 9 12.642 -48.547 -7.291 83 2HB GLU 9 HB2 GLU 9 11.064 -49.282 -7.103 84 1HG GLU 9 HG1 GLU 9 13.001 -48.558 -4.873 85 2HG GLU 9 HG2 GLU 9 11.531 -47.719 -5.263 86 H ALA 10 HN ALA 10 13.873 -49.443 -8.730 87 HA ALA 10 HA ALA 10 12.723 -50.781 -10.996 88 1HB ALA 10 HB1 ALA 10 14.993 -48.800 -10.751 89 2HB ALA 10 HB2 ALA 10 14.235 -49.277 -12.271 90 3HB ALA 10 HB3 ALA 10 13.295 -48.432 -11.050 91 H ALA 11 HN ALA 11 15.506 -52.094 -9.267 92 HA ALA 11 HA ALA 11 16.211 -53.724 -11.543 93 1HB ALA 11 HB2 ALA 11 16.692 -54.101 -8.556 94 2HB ALA 11 HB3 ALA 11 17.393 -55.128 -9.829 95 3HB ALA 11 HB1 ALA 11 17.803 -53.418 -9.734 96 H LYS 12 HN LYS 12 13.801 -53.992 -9.032 97 HA LYS 12 HA LYS 12 13.456 -56.826 -9.240 98 1HB LYS 12 HB1 LYS 12 12.028 -54.630 -7.748 99 2HB LYS 12 HB2 LYS 12 11.383 -56.258 -7.760 100 1HG LYS 12 HG1 LYS 12 14.220 -55.660 -6.858 101 2HG LYS 12 HG2 LYS 12 12.858 -55.609 -5.762 102 1HD LYS 12 HD1 LYS 12 12.329 -57.988 -6.394 103 2HD LYS 12 HD2 LYS 12 13.784 -58.028 -7.358 104 1HE LYS 12 HE1 LYS 12 13.744 -57.545 -4.379 105 2HE LYS 12 HE2 LYS 12 13.970 -59.120 -5.123 106 1HZ LYS 12 HZ1 LYS 12 15.850 -57.927 -6.408 107 2HZ LYS 12 HZ2 LYS 12 15.827 -56.742 -5.162 108 3HZ LYS 12 HZ3 LYS 12 16.121 -58.360 -4.800 109 OH TYR 13 OH TYR 13 12.642 -50.679 -16.217 110 H TYR 13 HN TYR 13 11.499 -54.140 -10.452 111 HA TYR 13 HA TYR 13 9.996 -53.914 -12.089 112 1HB TYR 13 HB1 TYR 13 11.801 -55.975 -13.159 113 2HB TYR 13 HB2 TYR 13 10.256 -55.861 -13.966 114 HD1 TYR 13 HD1 TYR 13 12.403 -53.073 -12.466 115 HD2 TYR 13 HD2 TYR 13 10.699 -54.751 -15.994 116 HE1 TYR 13 HE1 TYR 13 13.115 -51.145 -13.748 117 HE2 TYR 13 HE2 TYR 13 11.431 -52.788 -17.264 118 HH TYR 13 HH TYR 13 12.508 -50.801 -17.162 119 H LYS 14 HN LYS 14 9.741 -57.083 -10.703 120 HA LYS 14 HA LYS 14 7.043 -57.685 -11.210 121 1HB LYS 14 HB1 LYS 14 8.749 -58.116 -8.726 122 2HB LYS 14 HB2 LYS 14 7.199 -58.891 -8.993 123 1HG LYS 14 HG1 LYS 14 7.982 -60.140 -10.857 124 2HG LYS 14 HG2 LYS 14 9.438 -59.190 -11.018 125 1HD LYS 14 HD1 LYS 14 8.850 -61.003 -8.668 126 2HD LYS 14 HD2 LYS 14 9.758 -61.498 -10.073 127 1HE LYS 14 HE1 LYS 14 10.576 -59.366 -8.075 128 2HE LYS 14 HE2 LYS 14 11.242 -60.982 -8.217 129 1HZ LYS 14 HZ2 LYS 14 11.771 -60.341 -10.594 130 2HZ LYS 14 HZ3 LYS 14 11.508 -58.709 -10.166 131 3HZ LYS 14 HZ1 LYS 14 12.716 -59.617 -9.399 132 OH TYR 15 OH TYR 15 7.852 -57.439 -2.826 133 H TYR 15 HN TYR 15 8.383 -55.544 -8.718 134 HA TYR 15 HA TYR 15 5.828 -54.502 -7.883 135 1HB TYR 15 HB1 TYR 15 8.676 -53.518 -7.469 136 2HB TYR 15 HB2 TYR 15 7.272 -52.784 -6.728 137 HD1 TYR 15 HD1 TYR 15 5.645 -54.617 -5.525 138 HD2 TYR 15 HD2 TYR 15 9.801 -55.158 -6.180 139 HE1 TYR 15 HE1 TYR 15 5.752 -56.203 -3.628 140 HE2 TYR 15 HE2 TYR 15 9.895 -56.745 -4.309 141 HH TYR 15 HH TYR 15 8.739 -57.784 -2.714 142 H ALA 16 HN ALA 16 5.265 -54.362 -10.150 143 HA ALA 16 HA ALA 16 6.423 -52.748 -12.101 144 1HB ALA 16 HB3 ALA 16 3.584 -53.797 -11.909 145 2HB ALA 16 HB1 ALA 16 4.335 -53.166 -13.373 146 3HB ALA 16 HB2 ALA 16 4.978 -54.614 -12.610 147 H MET 17 HN MET 17 3.513 -51.958 -10.249 148 HA MET 17 HA MET 17 3.099 -49.348 -11.301 149 1HB MET 17 HB1 MET 17 1.407 -50.826 -10.179 150 2HB MET 17 HB2 MET 17 2.193 -50.512 -8.644 151 1HG MET 17 HG1 MET 17 1.636 -48.118 -8.819 152 2HG MET 17 HG2 MET 17 0.927 -48.377 -10.400 153 1HE MET 17 HE2 MET 17 -1.188 -50.171 -10.727 154 2HE MET 17 HE3 MET 17 -2.544 -49.636 -9.752 155 3HE MET 17 HE1 MET 17 -1.599 -48.445 -10.629 156 H LEU 18 HN LEU 18 5.209 -50.513 -8.789 157 HA LEU 18 HA LEU 18 5.535 -47.901 -7.522 158 1HB LEU 18 HB1 LEU 18 6.830 -50.553 -6.830 159 2HB LEU 18 HB2 LEU 18 6.829 -49.105 -5.843 160 HG LEU 18 HG LEU 18 4.336 -50.679 -6.600 161 1HD1 LEU 18 HD12 LEU 18 5.829 -50.578 -3.981 162 2HD1 LEU 18 HD13 LEU 18 4.288 -51.387 -4.248 163 3HD1 LEU 18 HD11 LEU 18 5.734 -51.960 -5.069 164 1HD2 LEU 18 HD23 LEU 18 4.676 -48.374 -4.667 165 2HD2 LEU 18 HD21 LEU 18 3.824 -48.307 -6.203 166 3HD2 LEU 18 HD22 LEU 18 3.194 -49.304 -4.896 167 H LYS 19 HN LYS 19 7.789 -50.211 -9.245 168 HA LYS 19 HA LYS 19 9.652 -48.143 -9.686 169 1HB LYS 19 HB1 LYS 19 10.602 -49.477 -11.455 170 2HB LYS 19 HB2 LYS 19 10.191 -50.493 -10.097 171 1HG LYS 19 HG1 LYS 19 9.402 -51.867 -11.713 172 2HG LYS 19 HG2 LYS 19 7.965 -50.884 -11.562 173 1HD LYS 19 HD1 LYS 19 8.745 -49.487 -13.485 174 2HD LYS 19 HD2 LYS 19 10.145 -50.527 -13.638 175 1HE LYS 19 HE1 LYS 19 8.598 -52.464 -14.026 176 2HE LYS 19 HE2 LYS 19 7.242 -51.331 -13.967 177 1HZ LYS 19 HZ1 LYS 19 8.262 -50.069 -15.741 178 2HZ LYS 19 HZ2 LYS 19 9.566 -51.151 -15.787 179 3HZ LYS 19 HZ3 LYS 19 8.016 -51.671 -16.249 180 H LYS 20 HN LYS 20 6.590 -48.729 -11.564 181 HA LYS 20 HA LYS 20 7.062 -46.604 -13.367 182 1HB LYS 20 HB1 LYS 20 5.224 -48.339 -13.455 183 2HB LYS 20 HB2 LYS 20 4.387 -47.440 -12.218 184 1HG LYS 20 HG1 LYS 20 5.135 -45.882 -14.641 185 2HG LYS 20 HG2 LYS 20 3.943 -47.141 -14.887 186 1HD LYS 20 HD1 LYS 20 2.532 -46.148 -13.097 187 2HD LYS 20 HD2 LYS 20 3.709 -44.872 -12.876 188 1HE LYS 20 HE1 LYS 20 2.269 -45.371 -15.493 189 2HE LYS 20 HE2 LYS 20 1.699 -44.258 -14.254 190 1HZ LYS 20 HZ2 LYS 20 4.369 -44.123 -15.544 191 2HZ LYS 20 HZ3 LYS 20 3.065 -43.110 -15.913 192 3HZ LYS 20 HZ1 LYS 20 3.817 -43.007 -14.383 193 H CYS 21 HN CYS 21 5.583 -46.347 -9.976 194 HA CYS 21 HA CYS 21 5.506 -43.600 -9.784 195 1HB CYS 21 HB1 CYS 21 6.430 -45.620 -7.747 196 2HB CYS 21 HB2 CYS 21 6.212 -43.928 -7.371 197 H CYS 22 HN CYS 22 8.483 -45.537 -9.247 198 HA CYS 22 HA CYS 22 10.491 -43.510 -9.308 199 1HB CYS 22 HB1 CYS 22 10.637 -46.130 -9.195 200 2HB CYS 22 HB2 CYS 22 11.139 -45.854 -10.823 201 OH TYR 23 OH TYR 23 13.299 -48.713 -14.507 202 H TYR 23 HN TYR 23 9.098 -44.928 -12.158 203 HA TYR 23 HA TYR 23 10.536 -43.027 -13.728 204 1HB TYR 23 HB1 TYR 23 8.423 -44.977 -14.494 205 2HB TYR 23 HB2 TYR 23 9.521 -44.149 -15.581 206 HD1 TYR 23 HD1 TYR 23 9.423 -46.837 -15.762 207 HD2 TYR 23 HD2 TYR 23 11.685 -45.001 -12.569 208 HE1 TYR 23 HE1 TYR 23 11.159 -48.588 -15.948 209 HE2 TYR 23 HE2 TYR 23 13.396 -46.664 -12.923 210 HH TYR 23 HH TYR 23 13.047 -49.387 -15.177 211 H ASP 24 HN ASP 24 7.213 -42.868 -12.509 212 HA ASP 24 HA ASP 24 6.518 -40.341 -13.575 213 1HB ASP 24 HB1 ASP 24 5.964 -41.249 -10.718 214 2HB ASP 24 HB2 ASP 24 5.192 -39.945 -11.581 215 H GLY 25 HN GLY 25 8.524 -40.959 -10.669 216 1HA GLY 25 HA1 GLY 25 9.285 -38.260 -10.210 217 2HA GLY 25 HA2 GLY 25 10.172 -39.661 -9.665 218 H ALA 26 HN ALA 26 10.980 -40.726 -12.143 219 HA ALA 26 HA ALA 26 13.164 -39.086 -12.917 220 1HB ALA 26 HB1 ALA 26 13.235 -41.520 -13.112 221 2HB ALA 26 HB2 ALA 26 11.989 -41.482 -14.358 222 3HB ALA 26 HB3 ALA 26 13.570 -40.777 -14.671 223 OH TYR 27 OH TYR 27 11.910 -42.764 -20.056 224 H TYR 27 HN TYR 27 10.142 -39.741 -14.823 225 HA TYR 27 HA TYR 27 10.847 -37.679 -16.739 226 1HB TYR 27 HB1 TYR 27 8.354 -39.364 -16.415 227 2HB TYR 27 HB2 TYR 27 8.571 -38.192 -17.697 228 HD1 TYR 27 HD1 TYR 27 9.386 -41.521 -16.554 229 HD2 TYR 27 HD2 TYR 27 10.509 -38.543 -19.360 230 HE1 TYR 27 HE1 TYR 27 10.616 -43.218 -17.887 231 HE2 TYR 27 HE2 TYR 27 11.731 -40.223 -20.663 232 HH TYR 27 HH TYR 27 12.316 -42.361 -20.824 233 NH1 ARG 28 NH1 ARG 28 14.489 -31.602 -11.583 234 NH2 ARG 28 NH2 ARG 28 13.867 -32.449 -9.678 235 H ARG 28 HN ARG 28 11.040 -36.393 -14.524 236 HA ARG 28 HA ARG 28 8.707 -35.018 -13.602 237 1HB ARG 28 HB1 ARG 28 10.804 -35.432 -12.292 238 2HB ARG 28 HB2 ARG 28 11.643 -34.291 -13.321 239 1HG ARG 28 HG1 ARG 28 10.100 -32.473 -12.531 240 2HG ARG 28 HG2 ARG 28 9.321 -33.636 -11.471 241 1HD ARG 28 HD1 ARG 28 10.874 -32.418 -10.138 242 2HD ARG 28 HD2 ARG 28 11.589 -34.011 -10.400 243 HE ARG 28 HE ARG 28 12.486 -32.161 -12.436 244 1HH1 ARG 28 HH12 ARG 28 14.230 -31.374 -12.537 245 2HH1 ARG 28 HH11 ARG 28 15.368 -31.397 -11.174 246 1HH2 ARG 28 HH22 ARG 28 13.190 -32.902 -9.119 247 2HH2 ARG 28 HH21 ARG 28 14.779 -32.185 -9.337 248 H ASN 29 HN ASN 29 7.600 -33.638 -14.916 249 HA ASN 29 HA ASN 29 8.694 -31.745 -16.704 250 1HB ASN 29 HB1 ASN 29 6.119 -31.638 -15.088 251 2HB ASN 29 HB2 ASN 29 6.491 -30.575 -16.430 252 1HD2 ASN 29 HD21 ASN 29 5.951 -33.198 -18.822 253 2HD2 ASN 29 HD22 ASN 29 6.461 -31.550 -18.627 254 H ASP 30 HN ASP 30 10.282 -30.480 -16.067 255 HA ASP 30 HA ASP 30 10.817 -29.612 -13.418 256 1HB ASP 30 HB1 ASP 30 12.162 -28.878 -16.038 257 2HB ASP 30 HB2 ASP 30 12.810 -28.554 -14.437 258 H ASP 31 HN ASP 31 8.600 -28.636 -13.480 259 HA ASP 31 HA ASP 31 8.971 -25.683 -13.527 260 1HB ASP 31 HB1 ASP 31 6.365 -25.615 -13.742 261 2HB ASP 31 HB2 ASP 31 7.345 -25.943 -15.157 262 H GLU 32 HN GLU 32 6.487 -27.674 -11.887 263 HA GLU 32 HA GLU 32 6.948 -26.471 -9.313 264 1HB GLU 32 HB1 GLU 32 4.772 -27.246 -10.120 265 2HB GLU 32 HB2 GLU 32 5.396 -28.870 -10.273 266 1HG GLU 32 HG1 GLU 32 5.588 -29.061 -7.801 267 2HG GLU 32 HG2 GLU 32 4.920 -27.449 -7.639 268 H THR 33 HN THR 33 7.821 -27.458 -7.404 269 HA THR 33 HA THR 33 9.914 -29.370 -7.705 270 HB THR 33 HB THR 33 9.936 -29.160 -5.118 271 HG1 THR 33 HG1 THR 33 8.011 -28.199 -4.565 272 1HG2 THR 33 HG21 THR 33 11.527 -27.917 -6.557 273 2HG2 THR 33 HG22 THR 33 10.305 -26.658 -6.777 274 3HG2 THR 33 HG23 THR 33 10.973 -26.959 -5.180 275 H CYS 34 HN CYS 34 10.074 -31.452 -6.754 276 HA CYS 34 HA CYS 34 7.857 -32.962 -7.646 277 1HB CYS 34 HB1 CYS 34 9.192 -34.932 -7.296 278 2HB CYS 34 HB2 CYS 34 10.066 -33.694 -8.154 279 H GLU 35 HN GLU 35 8.845 -32.215 -4.386 280 HA GLU 35 HA GLU 35 7.317 -34.310 -3.149 281 1HB GLU 35 HB1 GLU 35 7.577 -32.989 -0.998 282 2HB GLU 35 HB2 GLU 35 8.990 -33.674 -1.734 283 1HG GLU 35 HG1 GLU 35 8.285 -30.730 -2.091 284 2HG GLU 35 HG2 GLU 35 9.212 -31.310 -0.721 285 H GLU 36 HN GLU 36 6.348 -31.043 -4.072 286 HA GLU 36 HA GLU 36 3.788 -31.148 -2.747 287 1HB GLU 36 HB1 GLU 36 4.876 -29.468 -5.028 288 2HB GLU 36 HB2 GLU 36 3.232 -29.301 -4.455 289 1HG GLU 36 HG1 GLU 36 4.632 -27.564 -3.457 290 2HG GLU 36 HG2 GLU 36 4.083 -28.647 -2.199 291 NH1 ARG 37 NH1 ARG 37 4.483 -30.074 -12.159 292 NH2 ARG 37 NH2 ARG 37 6.206 -31.440 -12.257 293 H ARG 37 HN ARG 37 4.853 -31.769 -6.018 294 HA ARG 37 HA ARG 37 2.470 -32.760 -7.158 295 1HB ARG 37 HB1 ARG 37 4.589 -31.980 -8.296 296 2HB ARG 37 HB2 ARG 37 5.332 -33.496 -7.836 297 1HG ARG 37 HG1 ARG 37 3.857 -34.749 -9.269 298 2HG ARG 37 HG2 ARG 37 2.818 -33.358 -9.529 299 1HD ARG 37 HD1 ARG 37 5.721 -33.429 -10.388 300 2HD ARG 37 HD2 ARG 37 4.393 -33.908 -11.447 301 HE ARG 37 HE ARG 37 3.775 -31.344 -10.389 302 1HH1 ARG 37 HH12 ARG 37 3.586 -29.888 -11.783 303 2HH1 ARG 37 HH11 ARG 37 4.960 -29.416 -12.780 304 1HH2 ARG 37 HH22 ARG 37 6.616 -32.272 -11.929 305 2HH2 ARG 37 HH21 ARG 37 6.695 -30.826 -12.886 306 H ALA 38 HN ALA 38 5.188 -34.677 -5.672 307 HA ALA 38 HA ALA 38 3.533 -36.997 -5.509 308 1HB ALA 38 HB3 ALA 38 6.312 -36.492 -4.596 309 2HB ALA 38 HB1 ALA 38 5.446 -38.030 -4.407 310 3HB ALA 38 HB2 ALA 38 5.663 -37.355 -6.017 311 H ALA 39 HN ALA 39 3.706 -34.360 -3.118 312 HA ALA 39 HA ALA 39 2.146 -35.802 -1.274 313 1HB ALA 39 HB2 ALA 39 2.965 -33.547 -0.814 314 2HB ALA 39 HB3 ALA 39 1.922 -32.887 -2.070 315 3HB ALA 39 HB1 ALA 39 1.213 -33.608 -0.623 316 NH1 ARG 40 NH1 ARG 40 0.657 -30.925 -8.472 317 NH2 ARG 40 NH2 ARG 40 0.850 -30.194 -6.419 318 H ARG 40 HN ARG 40 1.044 -34.322 -4.392 319 HA ARG 40 HA ARG 40 -1.546 -35.563 -4.088 320 1HB ARG 40 HB1 ARG 40 -0.194 -34.434 -6.504 321 2HB ARG 40 HB2 ARG 40 -1.695 -35.322 -6.648 322 1HG ARG 40 HG1 ARG 40 -2.681 -33.306 -6.374 323 2HG ARG 40 HG2 ARG 40 -2.399 -33.573 -4.673 324 1HD ARG 40 HD1 ARG 40 -1.686 -31.346 -5.187 325 2HD ARG 40 HD2 ARG 40 -0.230 -32.311 -4.902 326 HE ARG 40 HE ARG 40 -1.003 -32.337 -7.679 327 1HH1 ARG 40 HH12 ARG 40 0.216 -31.506 -9.137 328 2HH1 ARG 40 HH11 ARG 40 1.400 -30.298 -8.721 329 1HH2 ARG 40 HH22 ARG 40 0.584 -30.261 -5.472 330 2HH2 ARG 40 HH21 ARG 40 1.550 -29.529 -6.750 331 H ILE 41 HN ILE 41 1.297 -36.877 -5.908 332 HA ILE 41 HA ILE 41 0.123 -39.376 -6.259 333 HB ILE 41 HB ILE 41 3.125 -38.938 -6.416 334 1HG1 ILE 41 HG11 ILE 41 2.041 -39.445 -8.927 335 2HG1 ILE 41 HG12 ILE 41 0.813 -38.392 -8.203 336 1HG2 ILE 41 HG23 ILE 41 1.426 -41.197 -7.188 337 2HG2 ILE 41 HG21 ILE 41 3.144 -40.805 -7.659 338 3HG2 ILE 41 HG22 ILE 41 2.699 -41.183 -5.957 339 1HD1 ILE 41 HD12 ILE 41 3.718 -37.834 -8.035 340 2HD1 ILE 41 HD13 ILE 41 2.727 -37.222 -9.399 341 3HD1 ILE 41 HD11 ILE 41 2.417 -36.710 -7.732 342 H LYS 42 HN LYS 42 -0.789 -39.796 -4.731 343 HA LYS 42 HA LYS 42 0.196 -40.558 -2.041 344 1HB LYS 42 HB1 LYS 42 -2.544 -39.897 -3.096 345 2HB LYS 42 HB2 LYS 42 -2.373 -40.773 -1.589 346 1HG LYS 42 HG1 LYS 42 -0.975 -38.900 -0.692 347 2HG LYS 42 HG2 LYS 42 -1.255 -38.013 -2.184 348 1HD LYS 42 HD1 LYS 42 -3.681 -38.031 -1.768 349 2HD LYS 42 HD2 LYS 42 -3.454 -39.009 -0.336 350 1HE LYS 42 HE1 LYS 42 -3.832 -36.802 0.431 351 2HE LYS 42 HE2 LYS 42 -2.118 -37.122 0.663 352 1HZ LYS 42 HZ1 LYS 42 -3.240 -35.754 -1.712 353 2HZ LYS 42 HZ2 LYS 42 -2.574 -34.942 -0.384 354 3HZ LYS 42 HZ3 LYS 42 -1.568 -35.904 -1.370 355 H ILE 43 HN ILE 43 0.340 -42.426 -4.527 356 HA ILE 43 HA ILE 43 -1.562 -44.511 -4.185 357 HB ILE 43 HB ILE 43 1.048 -44.465 -5.710 358 1HG1 ILE 43 HG11 ILE 43 -1.787 -44.288 -6.766 359 2HG1 ILE 43 HG12 ILE 43 -0.848 -42.868 -6.379 360 1HG2 ILE 43 HG21 ILE 43 -1.167 -46.543 -5.872 361 2HG2 ILE 43 HG22 ILE 43 0.221 -46.454 -6.948 362 3HG2 ILE 43 HG23 ILE 43 0.456 -46.826 -5.260 363 1HD1 ILE 43 HD13 ILE 43 0.852 -43.530 -8.081 364 2HD1 ILE 43 HD11 ILE 43 -0.136 -44.918 -8.515 365 3HD1 ILE 43 HD12 ILE 43 -0.747 -43.294 -8.779 366 H GLY 44 HN GLY 44 1.745 -44.231 -2.881 367 1HA GLY 44 HA1 GLY 44 0.994 -45.654 -0.569 368 2HA GLY 44 HA2 GLY 44 1.872 -46.755 -1.603 369 HA PRO 45 HA PRO 45 4.912 -44.166 1.239 370 1HB PRO 45 HB1 PRO 45 5.155 -47.008 2.283 371 2HB PRO 45 HB2 PRO 45 5.475 -45.472 3.110 372 1HG PRO 45 HG1 PRO 45 3.158 -46.637 3.552 373 2HG PRO 45 HG2 PRO 45 3.146 -44.903 3.168 374 1HD PRO 45 HD1 PRO 45 2.589 -47.252 1.328 375 2HD PRO 45 HD2 PRO 45 1.678 -45.739 1.534 376 H LYS 46 HN LYS 46 5.223 -47.423 -0.083 377 HA LYS 46 HA LYS 46 7.976 -47.283 -0.804 378 1HB LYS 46 HB1 LYS 46 6.490 -49.315 -0.324 379 2HB LYS 46 HB2 LYS 46 5.910 -49.155 -1.969 380 1HG LYS 46 HG1 LYS 46 8.132 -49.598 -2.857 381 2HG LYS 46 HG2 LYS 46 8.846 -49.512 -1.256 382 1HD LYS 46 HD1 LYS 46 7.523 -51.479 -0.549 383 2HD LYS 46 HD2 LYS 46 6.808 -51.590 -2.137 384 1HE LYS 46 HE1 LYS 46 9.764 -51.896 -1.560 385 2HE LYS 46 HE2 LYS 46 8.634 -53.236 -1.694 386 1HZ LYS 46 HZ3 LYS 46 8.078 -52.359 -3.953 387 2HZ LYS 46 HZ1 LYS 46 9.399 -51.265 -3.852 388 3HZ LYS 46 HZ2 LYS 46 9.653 -52.942 -3.803 389 H CYS 47 HN CYS 47 5.056 -46.352 -2.483 390 HA CYS 47 HA CYS 47 6.191 -45.826 -5.056 391 1HB CYS 47 HB1 CYS 47 3.796 -46.137 -4.845 392 2HB CYS 47 HB2 CYS 47 3.689 -44.826 -3.699 393 H VAL 48 HN VAL 48 5.144 -43.287 -2.586 394 HA VAL 48 HA VAL 48 6.643 -41.369 -3.499 395 HB VAL 48 HB VAL 48 6.995 -41.199 -0.587 396 1HG1 VAL 48 HG11 VAL 48 6.755 -39.261 -2.283 397 2HG1 VAL 48 HG12 VAL 48 5.131 -39.895 -2.606 398 3HG1 VAL 48 HG13 VAL 48 5.508 -39.177 -1.033 399 1HG2 VAL 48 HG23 VAL 48 5.292 -42.722 -0.378 400 2HG2 VAL 48 HG21 VAL 48 4.770 -41.117 0.149 401 3HG2 VAL 48 HG22 VAL 48 4.205 -41.772 -1.390 402 H LYS 49 HN LYS 49 8.066 -43.829 -1.352 403 HA LYS 49 HA LYS 49 10.748 -43.030 -1.282 404 1HB LYS 49 HB1 LYS 49 9.808 -44.956 -0.082 405 2HB LYS 49 HB2 LYS 49 9.588 -45.808 -1.591 406 1HG LYS 49 HG1 LYS 49 12.094 -45.867 -1.873 407 2HG LYS 49 HG2 LYS 49 12.242 -45.148 -0.278 408 1HD LYS 49 HD1 LYS 49 11.005 -47.049 0.708 409 2HD LYS 49 HD2 LYS 49 10.775 -47.748 -0.879 410 1HE LYS 49 HE1 LYS 49 13.473 -47.362 0.427 411 2HE LYS 49 HE2 LYS 49 12.540 -48.852 0.478 412 1HZ LYS 49 HZ3 LYS 49 12.539 -48.902 -2.015 413 2HZ LYS 49 HZ1 LYS 49 13.489 -47.487 -1.975 414 3HZ LYS 49 HZ2 LYS 49 14.109 -48.928 -1.349 415 H ALA 50 HN ALA 50 9.489 -45.290 -3.798 416 HA ALA 50 HA ALA 50 11.605 -45.245 -5.680 417 1HB ALA 50 HB3 ALA 50 9.605 -46.727 -5.674 418 2HB ALA 50 HB1 ALA 50 8.603 -45.373 -6.142 419 3HB ALA 50 HB2 ALA 50 9.839 -45.985 -7.238 420 H PHE 51 HN PHE 51 8.739 -43.070 -5.561 421 HA PHE 51 HA PHE 51 9.334 -41.357 -7.688 422 1HB PHE 51 HB1 PHE 51 7.228 -41.618 -6.121 423 2HB PHE 51 HB2 PHE 51 7.994 -40.392 -5.144 424 HD1 PHE 51 HD1 PHE 51 8.717 -38.149 -6.521 425 HD2 PHE 51 HD2 PHE 51 5.646 -40.848 -7.714 426 HE1 PHE 51 HE1 PHE 51 7.926 -36.556 -8.211 427 HE2 PHE 51 HE2 PHE 51 4.824 -39.294 -9.245 428 HZ PHE 51 HZ PHE 51 6.019 -37.128 -9.652 429 H LYS 52 HN LYS 52 10.122 -40.733 -4.191 430 HA LYS 52 HA LYS 52 11.459 -38.330 -4.759 431 1HB LYS 52 HB1 LYS 52 10.892 -39.937 -2.396 432 2HB LYS 52 HB2 LYS 52 12.527 -39.334 -2.294 433 1HG LYS 52 HG1 LYS 52 10.109 -37.578 -2.809 434 2HG LYS 52 HG2 LYS 52 10.792 -37.871 -1.222 435 1HD LYS 52 HD1 LYS 52 12.927 -36.849 -1.924 436 2HD LYS 52 HD2 LYS 52 12.290 -36.572 -3.539 437 1HE LYS 52 HE1 LYS 52 10.471 -35.192 -2.503 438 2HE LYS 52 HE2 LYS 52 11.312 -35.338 -0.958 439 1HZ LYS 52 HZ2 LYS 52 12.501 -34.290 -3.467 440 2HZ LYS 52 HZ3 LYS 52 11.946 -33.271 -2.223 441 3HZ LYS 52 HZ1 LYS 52 13.269 -34.339 -1.960 442 H ASP 53 HN ASP 53 12.792 -41.643 -4.385 443 HA ASP 53 HA ASP 53 15.523 -40.811 -4.645 444 1HB ASP 53 HB1 ASP 53 14.095 -43.464 -4.836 445 2HB ASP 53 HB2 ASP 53 15.806 -43.332 -5.205 446 H CYS 54 HN CYS 54 13.256 -42.089 -7.180 447 HA CYS 54 HA CYS 54 14.974 -41.364 -9.291 448 1HB CYS 54 HB1 CYS 54 12.116 -42.034 -9.074 449 2HB CYS 54 HB2 CYS 54 12.669 -41.291 -10.548 450 H CYS 55 HN CYS 55 12.621 -39.142 -7.630 451 HA CYS 55 HA CYS 55 13.150 -36.911 -9.227 452 1HB CYS 55 HB1 CYS 55 11.521 -36.910 -7.381 453 2HB CYS 55 HB2 CYS 55 12.829 -36.947 -6.218 454 OH TYR 56 OH TYR 56 17.164 -35.386 -1.051 455 H TYR 56 HN TYR 56 15.208 -38.149 -6.558 456 HA TYR 56 HA TYR 56 17.386 -36.397 -7.002 457 1HB TYR 56 HB1 TYR 56 17.258 -39.174 -5.868 458 2HB TYR 56 HB2 TYR 56 18.806 -38.394 -6.123 459 HD1 TYR 56 HD1 TYR 56 15.489 -37.824 -4.407 460 HD2 TYR 56 HD2 TYR 56 19.628 -36.844 -4.525 461 HE1 TYR 56 HE1 TYR 56 15.277 -36.596 -2.290 462 HE2 TYR 56 HE2 TYR 56 19.395 -35.629 -2.411 463 HH TYR 56 HH TYR 56 18.000 -34.999 -0.786 464 H ILE 57 HN ILE 57 16.909 -39.605 -8.646 465 HA ILE 57 HA ILE 57 18.904 -39.222 -10.580 466 HB ILE 57 HB ILE 57 16.232 -40.557 -10.982 467 1HG1 ILE 57 HG11 ILE 57 17.330 -41.735 -9.336 468 2HG1 ILE 57 HG12 ILE 57 17.555 -42.690 -10.783 469 1HG2 ILE 57 HG21 ILE 57 18.612 -40.836 -12.831 470 2HG2 ILE 57 HG22 ILE 57 17.176 -41.853 -12.863 471 3HG2 ILE 57 HG23 ILE 57 17.045 -40.147 -13.233 472 1HD1 ILE 57 HD11 ILE 57 19.876 -41.690 -10.970 473 2HD1 ILE 57 HD12 ILE 57 19.568 -40.898 -9.423 474 3HD1 ILE 57 HD13 ILE 57 19.633 -42.654 -9.511 475 H ALA 58 HN ALA 58 15.619 -38.079 -10.893 476 HA ALA 58 HA ALA 58 15.782 -36.667 -13.304 477 1HB ALA 58 HB2 ALA 58 13.687 -36.798 -12.049 478 2HB ALA 58 HB3 ALA 58 14.337 -35.706 -10.830 479 3HB ALA 58 HB1 ALA 58 14.065 -35.130 -12.468 480 H ASN 59 HN ASN 59 16.649 -35.246 -10.119 481 HA ASN 59 HA ASN 59 17.900 -32.911 -11.125 482 1HB ASN 59 HB1 ASN 59 18.516 -34.387 -8.545 483 2HB ASN 59 HB2 ASN 59 19.030 -32.750 -8.932 484 1HD2 ASN 59 HD22 ASN 59 16.262 -33.210 -6.740 485 2HD2 ASN 59 HD21 ASN 59 15.896 -34.463 -7.902 486 H GLN 60 HN GLN 60 19.469 -36.034 -10.317 487 HA GLN 60 HA GLN 60 22.103 -35.445 -11.083 488 1HB GLN 60 HB1 GLN 60 21.195 -37.441 -9.831 489 2HB GLN 60 HB2 GLN 60 20.608 -38.063 -11.353 490 1HG GLN 60 HG1 GLN 60 22.901 -38.360 -12.185 491 2HG GLN 60 HG2 GLN 60 23.554 -37.655 -10.715 492 1HE2 GLN 60 HE21 GLN 60 22.774 -40.639 -8.787 493 2HE2 GLN 60 HE22 GLN 60 22.897 -38.912 -8.616 494 H VAL 61 HN VAL 61 19.482 -36.764 -13.183 495 HA VAL 61 HA VAL 61 20.969 -36.574 -15.604 496 HB VAL 61 HB VAL 61 17.990 -36.679 -15.125 497 1HG1 VAL 61 HG12 VAL 61 19.430 -36.975 -17.798 498 2HG1 VAL 61 HG13 VAL 61 17.725 -37.300 -17.517 499 3HG1 VAL 61 HG11 VAL 61 18.336 -35.663 -17.387 500 1HG2 VAL 61 HG21 VAL 61 19.978 -38.768 -16.092 501 2HG2 VAL 61 HG22 VAL 61 19.214 -38.713 -14.506 502 3HG2 VAL 61 HG23 VAL 61 18.241 -39.013 -15.939 503 NH1 ARG 62 NH1 ARG 62 12.995 -34.731 -15.862 504 NH2 ARG 62 NH2 ARG 62 15.035 -35.459 -15.812 505 H ARG 62 HN ARG 62 18.585 -34.138 -14.277 506 HA ARG 62 HA ARG 62 18.960 -32.374 -16.473 507 1HB ARG 62 HB1 ARG 62 18.056 -31.523 -13.723 508 2HB ARG 62 HB2 ARG 62 17.795 -30.684 -15.233 509 1HG ARG 62 HG1 ARG 62 16.490 -33.242 -14.306 510 2HG ARG 62 HG2 ARG 62 15.734 -31.685 -14.495 511 1HD ARG 62 HD1 ARG 62 16.020 -31.872 -16.962 512 2HD ARG 62 HD2 ARG 62 16.651 -33.493 -16.750 513 HE ARG 62 HE ARG 62 13.865 -32.580 -16.195 514 1HH1 ARG 62 HH12 ARG 62 12.308 -33.999 -15.945 515 2HH1 ARG 62 HH11 ARG 62 12.741 -35.676 -15.696 516 1HH2 ARG 62 HH22 ARG 62 16.002 -35.263 -15.854 517 2HH2 ARG 62 HH21 ARG 62 14.663 -36.364 -15.659 518 H ALA 63 HN ALA 63 20.828 -32.527 -13.423 519 HA ALA 63 HA ALA 63 22.434 -30.245 -13.969 520 1HB ALA 63 HB3 ALA 63 22.335 -31.305 -11.765 521 2HB ALA 63 HB1 ALA 63 23.066 -32.772 -12.406 522 3HB ALA 63 HB2 ALA 63 23.999 -31.277 -12.342 523 H GLU 64 HN GLU 64 22.641 -33.515 -15.226 524 HA GLU 64 HA GLU 64 25.205 -33.046 -16.563 525 1HB GLU 64 HB1 GLU 64 24.594 -35.212 -15.469 526 2HB GLU 64 HB2 GLU 64 23.297 -35.413 -16.625 527 1HG GLU 64 HG1 GLU 64 25.030 -35.480 -18.486 528 2HG GLU 64 HG2 GLU 64 26.285 -35.388 -17.259 529 H GLN 65 HN GLN 65 21.778 -33.608 -17.579 530 HA GLN 65 HA GLN 65 22.381 -32.206 -20.107 531 1HB GLN 65 HB1 GLN 65 22.704 -34.697 -20.380 532 2HB GLN 65 HB2 GLN 65 21.013 -34.915 -20.015 533 1HG GLN 65 HG1 GLN 65 21.738 -33.104 -22.330 534 2HG GLN 65 HG2 GLN 65 21.944 -34.827 -22.532 535 1HE2 GLN 65 HE21 GLN 65 18.156 -33.413 -22.455 536 2HE2 GLN 65 HE22 GLN 65 19.394 -32.355 -21.844 Start of MODEL 15 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 18.158 -40.782 -2.833 2 2H MET 1 HT1 MET 1 18.152 -39.136 -2.365 3 3H MET 1 HT3 MET 1 19.117 -39.634 -3.652 4 HA MET 1 HA MET 1 20.469 -39.282 -1.742 5 1HB MET 1 HB1 MET 1 18.566 -41.264 -0.455 6 2HB MET 1 HB2 MET 1 20.093 -40.796 0.251 7 1HG MET 1 HG1 MET 1 17.809 -38.871 -0.312 8 2HG MET 1 HG2 MET 1 18.134 -39.613 1.233 9 1HE MET 1 HE3 MET 1 20.624 -39.273 2.480 10 2HE MET 1 HE1 MET 1 20.837 -37.563 2.811 11 3HE MET 1 HE2 MET 1 19.260 -38.292 3.060 12 H LEU 2 HN LEU 2 19.225 -42.535 -2.654 13 HA LEU 2 HA LEU 2 22.040 -43.434 -2.825 14 1HB LEU 2 HB1 LEU 2 19.698 -44.878 -1.585 15 2HB LEU 2 HB2 LEU 2 21.186 -45.699 -1.995 16 HG LEU 2 HG LEU 2 21.046 -43.380 -0.052 17 1HD1 LEU 2 HD12 LEU 2 21.089 -46.368 0.506 18 2HD1 LEU 2 HD13 LEU 2 21.216 -45.099 1.719 19 3HD1 LEU 2 HD11 LEU 2 19.732 -45.283 0.796 20 1HD2 LEU 2 HD21 LEU 2 23.220 -45.454 -0.540 21 2HD2 LEU 2 HD22 LEU 2 23.311 -43.752 -0.989 22 3HD2 LEU 2 HD23 LEU 2 23.249 -44.208 0.702 23 H GLN 3 HN GLN 3 22.502 -43.762 -4.838 24 HA GLN 3 HA GLN 3 20.963 -44.735 -6.927 25 1HB GLN 3 HB1 GLN 3 23.938 -44.940 -6.432 26 2HB GLN 3 HB2 GLN 3 23.185 -45.420 -7.937 27 1HG GLN 3 HG1 GLN 3 24.049 -43.232 -8.310 28 2HG GLN 3 HG2 GLN 3 22.319 -43.034 -8.170 29 1HE2 GLN 3 HE21 GLN 3 23.433 -40.324 -6.107 30 2HE2 GLN 3 HE22 GLN 3 23.038 -40.666 -7.771 31 H LYS 4 HN LYS 4 22.743 -46.592 -4.556 32 HA LYS 4 HA LYS 4 22.240 -49.202 -5.433 33 1HB LYS 4 HB1 LYS 4 23.834 -48.599 -3.673 34 2HB LYS 4 HB2 LYS 4 22.537 -48.081 -2.630 35 1HG LYS 4 HG1 LYS 4 23.450 -50.236 -1.925 36 2HG LYS 4 HG2 LYS 4 21.760 -50.366 -2.336 37 1HD LYS 4 HD1 LYS 4 22.909 -52.323 -3.107 38 2HD LYS 4 HD2 LYS 4 22.373 -51.425 -4.502 39 1HE LYS 4 HE1 LYS 4 24.712 -50.530 -4.759 40 2HE LYS 4 HE2 LYS 4 25.201 -51.560 -3.411 41 1HZ LYS 4 HZ3 LYS 4 23.834 -52.508 -5.952 42 2HZ LYS 4 HZ1 LYS 4 25.500 -52.666 -5.587 43 3HZ LYS 4 HZ2 LYS 4 24.351 -53.472 -4.641 44 H LYS 5 HN LYS 5 20.062 -47.057 -3.567 45 HA LYS 5 HA LYS 5 18.031 -49.092 -3.450 46 1HB LYS 5 HB1 LYS 5 18.107 -46.256 -2.501 47 2HB LYS 5 HB2 LYS 5 16.602 -47.138 -2.577 48 1HG LYS 5 HG1 LYS 5 18.991 -48.317 -1.134 49 2HG LYS 5 HG2 LYS 5 17.908 -47.187 -0.339 50 1HD LYS 5 HD1 LYS 5 15.997 -48.663 -0.749 51 2HD LYS 5 HD2 LYS 5 16.999 -49.789 -1.638 52 1HE LYS 5 HE1 LYS 5 18.310 -50.264 0.378 53 2HE LYS 5 HE2 LYS 5 17.321 -49.122 1.294 54 1HZ LYS 5 HZ3 LYS 5 16.241 -51.531 -0.220 55 2HZ LYS 5 HZ1 LYS 5 16.478 -51.424 1.474 56 3HZ LYS 5 HZ2 LYS 5 15.363 -50.409 0.712 57 H ILE 6 HN ILE 6 18.470 -46.300 -5.719 58 HA ILE 6 HA ILE 6 16.141 -46.885 -7.243 59 HB ILE 6 HB ILE 6 18.766 -46.418 -8.696 60 1HG1 ILE 6 HG11 ILE 6 16.969 -44.155 -7.911 61 2HG1 ILE 6 HG12 ILE 6 18.281 -44.665 -6.859 62 1HG2 ILE 6 HG22 ILE 6 15.840 -45.767 -9.470 63 2HG2 ILE 6 HG23 ILE 6 17.232 -45.382 -10.441 64 3HG2 ILE 6 HG21 ILE 6 16.805 -47.044 -10.140 65 1HD1 ILE 6 HD12 ILE 6 19.907 -44.272 -8.675 66 2HD1 ILE 6 HD13 ILE 6 18.607 -43.749 -9.716 67 3HD1 ILE 6 HD11 ILE 6 18.996 -42.814 -8.279 68 H GLU 7 HN GLU 7 19.354 -48.430 -7.389 69 HA GLU 7 HA GLU 7 18.688 -50.555 -9.112 70 1HB GLU 7 HB1 GLU 7 20.986 -49.887 -8.452 71 2HB GLU 7 HB2 GLU 7 20.696 -50.530 -6.847 72 1HG GLU 7 HG1 GLU 7 20.447 -52.826 -7.790 73 2HG GLU 7 HG2 GLU 7 20.685 -52.190 -9.411 74 H GLU 8 HN GLU 8 18.715 -50.879 -5.431 75 HA GLU 8 HA GLU 8 17.558 -53.461 -5.624 76 1HB GLU 8 HB1 GLU 8 18.906 -52.350 -3.745 77 2HB GLU 8 HB2 GLU 8 17.434 -51.568 -3.241 78 1HG GLU 8 HG1 GLU 8 17.411 -54.574 -3.424 79 2HG GLU 8 HG2 GLU 8 18.334 -53.850 -2.130 80 H GLU 9 HN GLU 9 15.792 -50.353 -5.569 81 HA GLU 9 HA GLU 9 13.193 -51.724 -5.435 82 1HB GLU 9 HB1 GLU 9 13.923 -48.830 -5.798 83 2HB GLU 9 HB2 GLU 9 12.274 -49.461 -5.696 84 1HG GLU 9 HG1 GLU 9 12.776 -50.428 -3.440 85 2HG GLU 9 HG2 GLU 9 14.435 -49.885 -3.553 86 H ALA 10 HN ALA 10 14.571 -49.716 -8.140 87 HA ALA 10 HA ALA 10 12.997 -51.253 -10.051 88 1HB ALA 10 HB1 ALA 10 15.039 -49.044 -10.366 89 2HB ALA 10 HB2 ALA 10 14.036 -49.693 -11.663 90 3HB ALA 10 HB3 ALA 10 13.286 -48.855 -10.309 91 H ALA 11 HN ALA 11 15.912 -52.537 -8.798 92 HA ALA 11 HA ALA 11 16.457 -53.923 -11.239 93 1HB ALA 11 HB1 ALA 11 17.159 -54.642 -8.365 94 2HB ALA 11 HB2 ALA 11 17.761 -55.504 -9.798 95 3HB ALA 11 HB3 ALA 11 18.158 -53.808 -9.534 96 H LYS 12 HN LYS 12 14.544 -54.951 -8.406 97 HA LYS 12 HA LYS 12 14.331 -57.637 -9.361 98 1HB LYS 12 HB1 LYS 12 12.704 -56.412 -7.131 99 2HB LYS 12 HB2 LYS 12 12.965 -58.114 -7.447 100 1HG LYS 12 HG1 LYS 12 15.501 -57.550 -7.090 101 2HG LYS 12 HG2 LYS 12 14.895 -56.082 -6.341 102 1HD LYS 12 HD1 LYS 12 13.359 -57.842 -5.006 103 2HD LYS 12 HD2 LYS 12 14.673 -58.923 -5.415 104 1HE LYS 12 HE1 LYS 12 15.607 -58.158 -3.494 105 2HE LYS 12 HE2 LYS 12 16.104 -56.790 -4.481 106 1HZ LYS 12 HZ2 LYS 12 13.756 -55.788 -3.922 107 2HZ LYS 12 HZ3 LYS 12 13.747 -56.995 -2.705 108 3HZ LYS 12 HZ1 LYS 12 14.919 -55.740 -2.680 109 OH TYR 13 OH TYR 13 12.815 -51.310 -15.473 110 H TYR 13 HN TYR 13 12.141 -54.924 -9.658 111 HA TYR 13 HA TYR 13 10.345 -54.521 -10.957 112 1HB TYR 13 HB1 TYR 13 11.791 -56.614 -12.495 113 2HB TYR 13 HB2 TYR 13 10.172 -56.228 -13.009 114 HD1 TYR 13 HD1 TYR 13 10.707 -55.254 -15.086 115 HD2 TYR 13 HD2 TYR 13 12.608 -53.602 -11.630 116 HE1 TYR 13 HE1 TYR 13 11.477 -53.316 -16.394 117 HE2 TYR 13 HE2 TYR 13 13.399 -51.767 -12.972 118 HH TYR 13 HH TYR 13 13.193 -50.615 -14.893 119 H LYS 14 HN LYS 14 10.238 -57.673 -9.524 120 HA LYS 14 HA LYS 14 7.623 -58.465 -9.822 121 1HB LYS 14 HB1 LYS 14 9.443 -59.591 -8.512 122 2HB LYS 14 HB2 LYS 14 9.217 -58.421 -7.225 123 1HG LYS 14 HG1 LYS 14 6.887 -59.253 -6.892 124 2HG LYS 14 HG2 LYS 14 7.134 -60.419 -8.182 125 1HD LYS 14 HD1 LYS 14 8.962 -61.468 -6.891 126 2HD LYS 14 HD2 LYS 14 8.745 -60.284 -5.609 127 1HE LYS 14 HE1 LYS 14 6.436 -61.098 -5.248 128 2HE LYS 14 HE2 LYS 14 6.658 -62.288 -6.531 129 1HZ LYS 14 HZ3 LYS 14 8.529 -63.202 -5.309 130 2HZ LYS 14 HZ1 LYS 14 8.317 -62.063 -4.080 131 3HZ LYS 14 HZ2 LYS 14 7.135 -63.245 -4.349 132 OH TYR 15 OH TYR 15 12.965 -54.849 -4.502 133 H TYR 15 HN TYR 15 8.645 -56.168 -7.243 134 HA TYR 15 HA TYR 15 5.941 -55.189 -6.946 135 1HB TYR 15 HB1 TYR 15 7.103 -53.458 -5.424 136 2HB TYR 15 HB2 TYR 15 6.875 -55.113 -4.910 137 HD1 TYR 15 HD1 TYR 15 8.731 -56.211 -3.982 138 HD2 TYR 15 HD2 TYR 15 9.459 -53.081 -6.741 139 HE1 TYR 15 HE1 TYR 15 11.141 -56.332 -3.482 140 HE2 TYR 15 HE2 TYR 15 11.867 -53.249 -6.297 141 HH TYR 15 HH TYR 15 13.506 -54.170 -4.968 142 H ALA 16 HN ALA 16 5.910 -54.974 -9.142 143 HA ALA 16 HA ALA 16 7.113 -53.162 -10.826 144 1HB ALA 16 HB2 ALA 16 4.316 -54.337 -10.943 145 2HB ALA 16 HB3 ALA 16 5.155 -53.588 -12.300 146 3HB ALA 16 HB1 ALA 16 5.797 -55.056 -11.572 147 H MET 17 HN MET 17 4.192 -52.542 -8.908 148 HA MET 17 HA MET 17 3.616 -49.956 -9.953 149 1HB MET 17 HB1 MET 17 2.876 -51.238 -7.304 150 2HB MET 17 HB2 MET 17 2.244 -49.704 -7.867 151 1HG MET 17 HG1 MET 17 1.241 -50.820 -9.838 152 2HG MET 17 HG2 MET 17 1.876 -52.362 -9.299 153 1HE MET 17 HE2 MET 17 -0.431 -49.327 -8.162 154 2HE MET 17 HE3 MET 17 -1.207 -50.262 -9.460 155 3HE MET 17 HE1 MET 17 -1.882 -50.257 -7.839 156 H LEU 18 HN LEU 18 5.855 -50.996 -7.477 157 HA LEU 18 HA LEU 18 6.224 -48.303 -6.402 158 1HB LEU 18 HB1 LEU 18 7.539 -50.917 -5.593 159 2HB LEU 18 HB2 LEU 18 7.636 -49.396 -4.725 160 HG LEU 18 HG LEU 18 5.073 -50.964 -5.193 161 1HD1 LEU 18 HD13 LEU 18 6.726 -50.692 -2.680 162 2HD1 LEU 18 HD11 LEU 18 5.157 -51.479 -2.791 163 3HD1 LEU 18 HD12 LEU 18 6.541 -52.147 -3.644 164 1HD2 LEU 18 HD21 LEU 18 5.568 -48.506 -3.496 165 2HD2 LEU 18 HD22 LEU 18 4.617 -48.558 -4.973 166 3HD2 LEU 18 HD23 LEU 18 4.060 -49.423 -3.544 167 H LYS 19 HN LYS 19 8.443 -50.728 -7.980 168 HA LYS 19 HA LYS 19 10.222 -48.837 -8.912 169 1HB LYS 19 HB1 LYS 19 10.838 -50.971 -9.492 170 2HB LYS 19 HB2 LYS 19 9.211 -51.512 -9.767 171 1HG LYS 19 HG1 LYS 19 10.395 -49.745 -11.896 172 2HG LYS 19 HG2 LYS 19 11.045 -51.344 -11.705 173 1HD LYS 19 HD1 LYS 19 9.044 -52.424 -12.220 174 2HD LYS 19 HD2 LYS 19 8.057 -51.019 -11.857 175 1HE LYS 19 HE1 LYS 19 8.877 -49.896 -13.868 176 2HE LYS 19 HE2 LYS 19 9.904 -51.279 -14.241 177 1HZ LYS 19 HZ2 LYS 19 6.962 -51.366 -13.889 178 2HZ LYS 19 HZ3 LYS 19 7.755 -51.413 -15.390 179 3HZ LYS 19 HZ1 LYS 19 7.952 -52.680 -14.283 180 H LYS 20 HN LYS 20 6.961 -49.391 -10.525 181 HA LYS 20 HA LYS 20 7.395 -47.384 -12.465 182 1HB LYS 20 HB1 LYS 20 5.566 -49.174 -12.344 183 2HB LYS 20 HB2 LYS 20 4.709 -48.106 -11.265 184 1HG LYS 20 HG1 LYS 20 5.566 -46.777 -13.761 185 2HG LYS 20 HG2 LYS 20 4.521 -48.145 -14.041 186 1HD LYS 20 HD1 LYS 20 2.696 -47.196 -12.980 187 2HD LYS 20 HD2 LYS 20 3.668 -46.167 -11.948 188 1HE LYS 20 HE1 LYS 20 3.486 -45.741 -14.942 189 2HE LYS 20 HE2 LYS 20 2.366 -45.000 -13.797 190 1HZ LYS 20 HZ1 LYS 20 5.332 -44.775 -13.625 191 2HZ LYS 20 HZ2 LYS 20 4.330 -43.481 -14.182 192 3HZ LYS 20 HZ3 LYS 20 4.248 -44.075 -12.564 193 H CYS 21 HN CYS 21 6.139 -47.010 -9.073 194 HA CYS 21 HA CYS 21 5.879 -44.238 -9.071 195 1HB CYS 21 HB1 CYS 21 5.331 -46.048 -7.330 196 2HB CYS 21 HB2 CYS 21 6.979 -45.847 -6.773 197 H CYS 22 HN CYS 22 8.969 -46.047 -8.389 198 HA CYS 22 HA CYS 22 10.917 -44.003 -8.676 199 1HB CYS 22 HB1 CYS 22 11.153 -46.603 -8.576 200 2HB CYS 22 HB2 CYS 22 11.363 -46.368 -10.263 201 OH TYR 23 OH TYR 23 13.533 -49.115 -14.058 202 H TYR 23 HN TYR 23 9.341 -45.513 -11.382 203 HA TYR 23 HA TYR 23 10.563 -43.578 -13.067 204 1HB TYR 23 HB1 TYR 23 8.488 -45.607 -13.679 205 2HB TYR 23 HB2 TYR 23 9.458 -44.724 -14.844 206 HD1 TYR 23 HD1 TYR 23 11.895 -45.446 -12.015 207 HD2 TYR 23 HD2 TYR 23 9.513 -47.421 -15.043 208 HE1 TYR 23 HE1 TYR 23 13.640 -47.016 -12.455 209 HE2 TYR 23 HE2 TYR 23 11.317 -49.085 -15.325 210 HH TYR 23 HH TYR 23 14.304 -48.865 -13.540 211 H ASP 24 HN ASP 24 7.305 -43.451 -11.627 212 HA ASP 24 HA ASP 24 6.556 -40.914 -12.584 213 1HB ASP 24 HB1 ASP 24 6.114 -42.056 -9.812 214 2HB ASP 24 HB2 ASP 24 5.571 -40.475 -10.304 215 H GLY 25 HN GLY 25 8.787 -41.460 -9.855 216 1HA GLY 25 HA1 GLY 25 9.666 -38.806 -9.510 217 2HA GLY 25 HA2 GLY 25 10.657 -40.212 -9.224 218 H ALA 26 HN ALA 26 10.949 -41.204 -11.755 219 HA ALA 26 HA ALA 26 13.017 -39.633 -12.863 220 1HB ALA 26 HB2 ALA 26 12.991 -42.064 -13.060 221 2HB ALA 26 HB3 ALA 26 11.578 -41.980 -14.113 222 3HB ALA 26 HB1 ALA 26 13.117 -41.319 -14.649 223 OH TYR 27 OH TYR 27 4.346 -42.163 -14.704 224 H TYR 27 HN TYR 27 9.704 -40.120 -14.418 225 HA TYR 27 HA TYR 27 10.515 -38.171 -16.383 226 1HB TYR 27 HB1 TYR 27 8.264 -38.304 -17.381 227 2HB TYR 27 HB2 TYR 27 9.266 -39.727 -17.417 228 HD1 TYR 27 HD1 TYR 27 8.102 -41.728 -17.130 229 HD2 TYR 27 HD2 TYR 27 6.626 -38.302 -15.109 230 HE1 TYR 27 HE1 TYR 27 6.193 -43.038 -16.293 231 HE2 TYR 27 HE2 TYR 27 4.735 -39.619 -14.263 232 HH TYR 27 HH TYR 27 3.847 -41.600 -14.081 233 NH1 ARG 28 NH1 ARG 28 11.318 -29.394 -11.069 234 NH2 ARG 28 NH2 ARG 28 12.852 -30.627 -12.023 235 H ARG 28 HN ARG 28 11.085 -36.684 -14.588 236 HA ARG 28 HA ARG 28 8.895 -34.918 -13.753 237 1HB ARG 28 HB1 ARG 28 10.712 -35.546 -12.165 238 2HB ARG 28 HB2 ARG 28 11.868 -34.697 -13.178 239 1HG ARG 28 HG1 ARG 28 10.473 -32.580 -12.852 240 2HG ARG 28 HG2 ARG 28 9.500 -33.473 -11.714 241 1HD ARG 28 HD1 ARG 28 11.261 -33.575 -10.137 242 2HD ARG 28 HD2 ARG 28 12.479 -33.147 -11.328 243 HE ARG 28 HE ARG 28 10.395 -31.284 -10.251 244 1HH1 ARG 28 HH12 ARG 28 10.436 -29.335 -10.564 245 2HH1 ARG 28 HH11 ARG 28 11.807 -28.600 -11.395 246 1HH2 ARG 28 HH22 ARG 28 13.244 -31.516 -12.203 247 2HH2 ARG 28 HH21 ARG 28 13.260 -29.791 -12.419 248 H ASN 29 HN ASN 29 8.319 -33.092 -14.775 249 HA ASN 29 HA ASN 29 10.177 -31.732 -16.620 250 1HB ASN 29 HB1 ASN 29 7.939 -32.373 -17.504 251 2HB ASN 29 HB2 ASN 29 7.177 -31.352 -16.293 252 1HD2 ASN 29 HD21 ASN 29 6.976 -29.183 -18.886 253 2HD2 ASN 29 HD22 ASN 29 6.740 -29.115 -17.155 254 H ASP 30 HN ASP 30 10.597 -29.504 -16.385 255 HA ASP 30 HA ASP 30 10.895 -28.683 -13.648 256 1HB ASP 30 HB1 ASP 30 11.992 -27.607 -16.234 257 2HB ASP 30 HB2 ASP 30 12.177 -26.719 -14.725 258 H ASP 31 HN ASP 31 8.575 -28.656 -13.539 259 HA ASP 31 HA ASP 31 7.910 -25.791 -13.130 260 1HB ASP 31 HB1 ASP 31 5.424 -26.432 -13.503 261 2HB ASP 31 HB2 ASP 31 6.463 -26.213 -14.898 262 H GLU 32 HN GLU 32 6.406 -28.876 -12.087 263 HA GLU 32 HA GLU 32 6.100 -28.086 -9.362 264 1HB GLU 32 HB1 GLU 32 6.084 -30.839 -10.648 265 2HB GLU 32 HB2 GLU 32 5.483 -30.465 -9.037 266 1HG GLU 32 HG1 GLU 32 3.697 -29.054 -9.971 267 2HG GLU 32 HG2 GLU 32 4.343 -29.240 -11.593 268 H THR 33 HN THR 33 7.087 -29.152 -7.436 269 HA THR 33 HA THR 33 9.830 -30.140 -7.970 270 HB THR 33 HB THR 33 10.070 -28.087 -6.823 271 HG1 THR 33 HG1 THR 33 10.845 -30.005 -4.870 272 1HG2 THR 33 HG21 THR 33 8.088 -28.001 -5.352 273 2HG2 THR 33 HG22 THR 33 8.744 -29.352 -4.421 274 3HG2 THR 33 HG23 THR 33 9.604 -27.820 -4.466 275 H CYS 34 HN CYS 34 10.661 -31.740 -6.549 276 HA CYS 34 HA CYS 34 9.152 -34.043 -7.120 277 1HB CYS 34 HB1 CYS 34 11.579 -33.962 -7.187 278 2HB CYS 34 HB2 CYS 34 11.668 -33.646 -5.471 279 H GLU 35 HN GLU 35 9.908 -32.695 -4.002 280 HA GLU 35 HA GLU 35 8.501 -34.787 -2.538 281 1HB GLU 35 HB1 GLU 35 9.140 -33.546 -0.463 282 2HB GLU 35 HB2 GLU 35 10.459 -34.140 -1.429 283 1HG GLU 35 HG1 GLU 35 9.574 -31.213 -1.423 284 2HG GLU 35 HG2 GLU 35 10.853 -31.856 -0.409 285 H GLU 36 HN GLU 36 7.678 -31.569 -3.581 286 HA GLU 36 HA GLU 36 5.182 -31.404 -2.137 287 1HB GLU 36 HB1 GLU 36 6.106 -29.372 -2.823 288 2HB GLU 36 HB2 GLU 36 6.506 -29.963 -4.414 289 1HG GLU 36 HG1 GLU 36 3.590 -29.597 -3.755 290 2HG GLU 36 HG2 GLU 36 4.575 -28.183 -4.072 291 NH1 ARG 37 NH1 ARG 37 8.606 -36.196 -10.355 292 NH2 ARG 37 NH2 ARG 37 6.676 -36.724 -11.186 293 H ARG 37 HN ARG 37 6.046 -32.276 -5.474 294 HA ARG 37 HA ARG 37 3.582 -33.299 -6.350 295 1HB ARG 37 HB1 ARG 37 5.588 -32.746 -7.731 296 2HB ARG 37 HB2 ARG 37 6.383 -34.177 -7.113 297 1HG ARG 37 HG1 ARG 37 4.885 -35.638 -8.255 298 2HG ARG 37 HG2 ARG 37 3.763 -34.340 -8.621 299 1HD ARG 37 HD1 ARG 37 4.929 -34.888 -10.640 300 2HD ARG 37 HD2 ARG 37 5.501 -33.334 -10.118 301 HE ARG 37 HE ARG 37 7.543 -34.449 -9.257 302 1HH1 ARG 37 HH12 ARG 37 9.196 -35.636 -9.796 303 2HH1 ARG 37 HH11 ARG 37 8.946 -36.999 -10.833 304 1HH2 ARG 37 HH22 ARG 37 5.720 -36.539 -11.334 305 2HH2 ARG 37 HH21 ARG 37 7.132 -37.553 -11.552 306 H ALA 38 HN ALA 38 6.279 -35.186 -4.802 307 HA ALA 38 HA ALA 38 4.465 -37.379 -4.349 308 1HB ALA 38 HB3 ALA 38 7.382 -37.082 -3.894 309 2HB ALA 38 HB1 ALA 38 6.436 -38.532 -3.486 310 3HB ALA 38 HB2 ALA 38 6.444 -37.951 -5.148 311 H ALA 39 HN ALA 39 5.012 -34.635 -2.181 312 HA ALA 39 HA ALA 39 3.645 -35.954 -0.098 313 1HB ALA 39 HB3 ALA 39 4.473 -33.651 0.103 314 2HB ALA 39 HB1 ALA 39 3.306 -33.106 -1.097 315 3HB ALA 39 HB2 ALA 39 2.747 -33.716 0.462 316 NH1 ARG 40 NH1 ARG 40 0.110 -32.500 -8.819 317 NH2 ARG 40 NH2 ARG 40 1.560 -31.306 -7.774 318 H ARG 40 HN ARG 40 2.362 -34.591 -3.141 319 HA ARG 40 HA ARG 40 -0.312 -35.509 -2.714 320 1HB ARG 40 HB1 ARG 40 1.192 -34.790 -5.228 321 2HB ARG 40 HB2 ARG 40 -0.512 -35.196 -5.220 322 1HG ARG 40 HG1 ARG 40 -1.147 -33.204 -4.264 323 2HG ARG 40 HG2 ARG 40 0.294 -33.076 -3.276 324 1HD ARG 40 HD1 ARG 40 0.209 -31.289 -4.962 325 2HD ARG 40 HD2 ARG 40 1.600 -32.340 -5.197 326 HE ARG 40 HE ARG 40 -0.712 -33.172 -6.740 327 1HH1 ARG 40 HH12 ARG 40 -0.650 -33.129 -8.855 328 2HH1 ARG 40 HH11 ARG 40 0.552 -32.127 -9.633 329 1HH2 ARG 40 HH22 ARG 40 2.038 -30.911 -6.972 330 2HH2 ARG 40 HH21 ARG 40 1.844 -31.066 -8.719 331 H ILE 41 HN ILE 41 2.230 -37.183 -4.710 332 HA ILE 41 HA ILE 41 0.896 -39.624 -4.744 333 HB ILE 41 HB ILE 41 3.885 -39.327 -5.259 334 1HG1 ILE 41 HG11 ILE 41 2.534 -39.955 -7.603 335 2HG1 ILE 41 HG12 ILE 41 1.389 -38.850 -6.821 336 1HG2 ILE 41 HG23 ILE 41 2.072 -41.583 -5.720 337 2HG2 ILE 41 HG21 ILE 41 3.741 -41.246 -6.366 338 3HG2 ILE 41 HG22 ILE 41 3.457 -41.525 -4.614 339 1HD1 ILE 41 HD12 ILE 41 4.287 -38.301 -6.964 340 2HD1 ILE 41 HD13 ILE 41 3.182 -37.785 -8.281 341 3HD1 ILE 41 HD11 ILE 41 3.022 -37.150 -6.635 342 H LYS 42 HN LYS 42 0.179 -40.016 -3.139 343 HA LYS 42 HA LYS 42 1.300 -40.337 -0.437 344 1HB LYS 42 HB1 LYS 42 -1.524 -40.584 -1.503 345 2HB LYS 42 HB2 LYS 42 -1.116 -40.839 0.180 346 1HG LYS 42 HG1 LYS 42 -0.371 -38.563 0.451 347 2HG LYS 42 HG2 LYS 42 -0.518 -38.241 -1.257 348 1HD LYS 42 HD1 LYS 42 -2.849 -38.925 0.558 349 2HD LYS 42 HD2 LYS 42 -2.368 -37.297 0.155 350 1HE LYS 42 HE1 LYS 42 -3.366 -39.361 -1.843 351 2HE LYS 42 HE2 LYS 42 -4.324 -38.073 -1.139 352 1HZ LYS 42 HZ1 LYS 42 -2.727 -36.479 -2.047 353 2HZ LYS 42 HZ2 LYS 42 -1.868 -37.709 -2.856 354 3HZ LYS 42 HZ3 LYS 42 -3.483 -37.372 -3.270 355 H ILE 43 HN ILE 43 1.247 -42.575 -2.873 356 HA ILE 43 HA ILE 43 -0.560 -44.553 -1.982 357 HB ILE 43 HB ILE 43 1.670 -44.730 -3.989 358 1HG1 ILE 43 HG11 ILE 43 0.189 -43.002 -4.704 359 2HG1 ILE 43 HG12 ILE 43 0.006 -44.386 -5.742 360 1HG2 ILE 43 HG23 ILE 43 -0.650 -46.642 -3.700 361 2HG2 ILE 43 HG21 ILE 43 0.453 -46.589 -5.072 362 3HG2 ILE 43 HG22 ILE 43 1.055 -47.006 -3.479 363 1HD1 ILE 43 HD11 ILE 43 -2.143 -44.957 -4.620 364 2HD1 ILE 43 HD12 ILE 43 -1.963 -43.555 -3.571 365 3HD1 ILE 43 HD13 ILE 43 -2.164 -43.340 -5.302 366 H GLY 44 HN GLY 44 2.966 -44.427 -1.393 367 1HA GLY 44 HA1 GLY 44 2.603 -46.043 0.916 368 2HA GLY 44 HA2 GLY 44 3.333 -47.000 -0.348 369 HA PRO 45 HA PRO 45 6.698 -44.532 2.228 370 1HB PRO 45 HB1 PRO 45 7.131 -47.413 3.093 371 2HB PRO 45 HB2 PRO 45 7.525 -45.908 3.945 372 1HG PRO 45 HG1 PRO 45 5.312 -47.160 4.627 373 2HG PRO 45 HG2 PRO 45 5.216 -45.409 4.342 374 1HD PRO 45 HD1 PRO 45 4.467 -47.677 2.466 375 2HD PRO 45 HD2 PRO 45 3.558 -46.205 2.878 376 H LYS 46 HN LYS 46 7.058 -47.815 0.825 377 HA LYS 46 HA LYS 46 9.548 -47.359 -0.436 378 1HB LYS 46 HB1 LYS 46 7.402 -49.402 -0.930 379 2HB LYS 46 HB2 LYS 46 8.837 -49.297 -1.931 380 1HG LYS 46 HG1 LYS 46 10.226 -49.554 0.174 381 2HG LYS 46 HG2 LYS 46 8.741 -49.857 1.054 382 1HD LYS 46 HD1 LYS 46 9.651 -51.997 0.570 383 2HD LYS 46 HD2 LYS 46 8.315 -51.798 -0.546 384 1HE LYS 46 HE1 LYS 46 9.916 -51.188 -2.353 385 2HE LYS 46 HE2 LYS 46 11.247 -51.372 -1.217 386 1HZ LYS 46 HZ3 LYS 46 10.587 -53.667 -0.875 387 2HZ LYS 46 HZ1 LYS 46 9.299 -53.486 -1.957 388 3HZ LYS 46 HZ2 LYS 46 10.888 -53.396 -2.518 389 H CYS 47 HN CYS 47 6.323 -46.483 -1.514 390 HA CYS 47 HA CYS 47 6.977 -45.972 -4.260 391 1HB CYS 47 HB1 CYS 47 4.650 -46.257 -3.146 392 2HB CYS 47 HB2 CYS 47 4.811 -44.597 -2.666 393 H VAL 48 HN VAL 48 6.353 -43.467 -1.625 394 HA VAL 48 HA VAL 48 7.647 -41.476 -2.721 395 HB VAL 48 HB VAL 48 8.413 -41.555 0.155 396 1HG1 VAL 48 HG11 VAL 48 8.140 -39.478 -1.340 397 2HG1 VAL 48 HG12 VAL 48 6.449 -39.988 -1.521 398 3HG1 VAL 48 HG13 VAL 48 7.041 -39.417 0.047 399 1HG2 VAL 48 HG21 VAL 48 6.606 -42.969 0.455 400 2HG2 VAL 48 HG22 VAL 48 6.291 -41.379 1.157 401 3HG2 VAL 48 HG23 VAL 48 5.504 -41.851 -0.351 402 H LYS 49 HN LYS 49 9.340 -43.927 -0.813 403 HA LYS 49 HA LYS 49 11.969 -42.981 -0.977 404 1HB LYS 49 HB1 LYS 49 10.627 -45.354 -0.136 405 2HB LYS 49 HB2 LYS 49 11.944 -45.885 -1.138 406 1HG LYS 49 HG1 LYS 49 13.003 -43.897 0.650 407 2HG LYS 49 HG2 LYS 49 11.934 -44.911 1.590 408 1HD LYS 49 HD1 LYS 49 13.865 -46.126 1.813 409 2HD LYS 49 HD2 LYS 49 13.257 -46.882 0.360 410 1HE LYS 49 HE1 LYS 49 15.310 -44.655 0.440 411 2HE LYS 49 HE2 LYS 49 15.667 -46.362 0.249 412 1HZ LYS 49 HZ1 LYS 49 13.943 -44.813 -1.577 413 2HZ LYS 49 HZ2 LYS 49 15.531 -45.013 -1.944 414 3HZ LYS 49 HZ3 LYS 49 14.442 -46.393 -1.911 415 H ALA 50 HN ALA 50 10.651 -45.488 -3.218 416 HA ALA 50 HA ALA 50 12.675 -45.519 -5.190 417 1HB ALA 50 HB1 ALA 50 10.816 -47.115 -4.962 418 2HB ALA 50 HB2 ALA 50 9.681 -45.893 -5.489 419 3HB ALA 50 HB3 ALA 50 10.898 -46.514 -6.597 420 H PHE 51 HN PHE 51 9.746 -43.444 -5.026 421 HA PHE 51 HA PHE 51 10.049 -41.850 -7.281 422 1HB PHE 51 HB1 PHE 51 8.195 -42.057 -5.432 423 2HB PHE 51 HB2 PHE 51 9.077 -40.811 -4.595 424 HD1 PHE 51 HD1 PHE 51 9.544 -38.580 -6.065 425 HD2 PHE 51 HD2 PHE 51 6.334 -41.301 -6.752 426 HE1 PHE 51 HE1 PHE 51 8.450 -36.985 -7.562 427 HE2 PHE 51 HE2 PHE 51 5.287 -39.789 -8.148 428 HZ PHE 51 HZ PHE 51 6.318 -37.574 -8.639 429 H LYS 52 HN LYS 52 11.238 -41.001 -3.975 430 HA LYS 52 HA LYS 52 12.517 -38.643 -4.799 431 1HB LYS 52 HB1 LYS 52 11.962 -39.951 -2.357 432 2HB LYS 52 HB2 LYS 52 13.697 -39.776 -2.362 433 1HG LYS 52 HG1 LYS 52 11.849 -37.440 -2.922 434 2HG LYS 52 HG2 LYS 52 12.294 -37.903 -1.295 435 1HD LYS 52 HD1 LYS 52 14.682 -37.563 -1.835 436 2HD LYS 52 HD2 LYS 52 14.257 -37.086 -3.464 437 1HE LYS 52 HE1 LYS 52 13.187 -35.606 -1.051 438 2HE LYS 52 HE2 LYS 52 14.761 -35.233 -1.735 439 1HZ LYS 52 HZ2 LYS 52 12.239 -35.279 -3.298 440 2HZ LYS 52 HZ3 LYS 52 12.937 -33.820 -2.717 441 3HZ LYS 52 HZ1 LYS 52 13.748 -34.809 -3.852 442 H ASP 53 HN ASP 53 13.963 -41.946 -4.401 443 HA ASP 53 HA ASP 53 16.603 -41.046 -5.092 444 1HB ASP 53 HB1 ASP 53 15.340 -43.785 -5.058 445 2HB ASP 53 HB2 ASP 53 16.984 -43.519 -5.599 446 H CYS 54 HN CYS 54 14.063 -42.472 -7.234 447 HA CYS 54 HA CYS 54 15.473 -41.909 -9.600 448 1HB CYS 54 HB1 CYS 54 12.653 -42.464 -8.942 449 2HB CYS 54 HB2 CYS 54 13.007 -41.817 -10.517 450 H CYS 55 HN CYS 55 13.318 -39.553 -7.818 451 HA CYS 55 HA CYS 55 13.795 -37.400 -9.524 452 1HB CYS 55 HB1 CYS 55 13.659 -37.434 -6.524 453 2HB CYS 55 HB2 CYS 55 13.868 -35.949 -7.427 454 OH TYR 56 OH TYR 56 18.891 -35.332 -2.006 455 H TYR 56 HN TYR 56 16.051 -38.620 -7.016 456 HA TYR 56 HA TYR 56 18.171 -36.880 -7.664 457 1HB TYR 56 HB1 TYR 56 18.106 -39.567 -6.375 458 2HB TYR 56 HB2 TYR 56 19.652 -38.931 -6.897 459 HD1 TYR 56 HD1 TYR 56 16.612 -37.869 -4.906 460 HD2 TYR 56 HD2 TYR 56 20.805 -37.436 -5.494 461 HE1 TYR 56 HE1 TYR 56 16.764 -36.390 -2.937 462 HE2 TYR 56 HE2 TYR 56 20.933 -36.001 -3.510 463 HH TYR 56 HH TYR 56 19.792 -35.050 -1.841 464 H ILE 57 HN ILE 57 17.568 -40.117 -9.365 465 HA ILE 57 HA ILE 57 19.578 -39.230 -11.202 466 HB ILE 57 HB ILE 57 18.871 -40.849 -12.920 467 1HG1 ILE 57 HG11 ILE 57 17.978 -42.997 -12.076 468 2HG1 ILE 57 HG12 ILE 57 17.374 -42.135 -10.677 469 1HG2 ILE 57 HG21 ILE 57 20.142 -41.661 -10.324 470 2HG2 ILE 57 HG22 ILE 57 20.226 -42.602 -11.812 471 3HG2 ILE 57 HG23 ILE 57 20.921 -40.992 -11.747 472 1HD1 ILE 57 HD13 ILE 57 16.579 -41.526 -13.545 473 2HD1 ILE 57 HD11 ILE 57 15.630 -42.468 -12.392 474 3HD1 ILE 57 HD12 ILE 57 15.954 -40.770 -12.064 475 H ALA 58 HN ALA 58 16.105 -38.513 -11.389 476 HA ALA 58 HA ALA 58 16.079 -37.222 -13.870 477 1HB ALA 58 HB2 ALA 58 14.097 -37.491 -12.481 478 2HB ALA 58 HB3 ALA 58 14.739 -36.343 -11.309 479 3HB ALA 58 HB1 ALA 58 14.312 -35.805 -12.928 480 H ASN 59 HN ASN 59 17.172 -35.853 -10.763 481 HA ASN 59 HA ASN 59 18.286 -33.459 -11.835 482 1HB ASN 59 HB1 ASN 59 18.824 -34.899 -9.232 483 2HB ASN 59 HB2 ASN 59 19.562 -33.361 -9.663 484 1HD2 ASN 59 HD21 ASN 59 16.096 -33.330 -7.959 485 2HD2 ASN 59 HD22 ASN 59 16.380 -34.832 -8.809 486 H GLN 60 HN GLN 60 20.002 -36.596 -11.149 487 HA GLN 60 HA GLN 60 22.459 -35.745 -12.250 488 1HB GLN 60 HB1 GLN 60 21.344 -38.538 -12.090 489 2HB GLN 60 HB2 GLN 60 22.964 -38.146 -12.622 490 1HG GLN 60 HG1 GLN 60 23.403 -37.042 -10.402 491 2HG GLN 60 HG2 GLN 60 21.825 -37.602 -9.854 492 1HE2 GLN 60 HE21 GLN 60 24.713 -40.429 -10.406 493 2HE2 GLN 60 HE22 GLN 60 24.805 -39.000 -11.399 494 H VAL 61 HN VAL 61 19.648 -37.092 -14.085 495 HA VAL 61 HA VAL 61 20.867 -36.853 -16.618 496 HB VAL 61 HB VAL 61 17.966 -36.475 -15.838 497 1HG1 VAL 61 HG12 VAL 61 19.079 -36.817 -18.652 498 2HG1 VAL 61 HG13 VAL 61 17.375 -36.869 -18.213 499 3HG1 VAL 61 HG11 VAL 61 18.275 -35.375 -18.044 500 1HG2 VAL 61 HG21 VAL 61 19.430 -38.819 -17.114 501 2HG2 VAL 61 HG22 VAL 61 18.832 -38.742 -15.458 502 3HG2 VAL 61 HG23 VAL 61 17.698 -38.749 -16.800 503 NH1 ARG 62 NH1 ARG 62 13.211 -32.216 -15.431 504 NH2 ARG 62 NH2 ARG 62 14.637 -33.737 -14.723 505 H ARG 62 HN ARG 62 19.011 -34.278 -14.904 506 HA ARG 62 HA ARG 62 19.595 -32.186 -16.693 507 1HB ARG 62 HB1 ARG 62 18.984 -32.196 -13.735 508 2HB ARG 62 HB2 ARG 62 19.163 -30.709 -14.652 509 1HG ARG 62 HG1 ARG 62 17.284 -31.167 -16.026 510 2HG ARG 62 HG2 ARG 62 17.227 -32.852 -15.550 511 1HD ARG 62 HD1 ARG 62 16.508 -32.230 -13.293 512 2HD ARG 62 HD2 ARG 62 16.684 -30.526 -13.686 513 HE ARG 62 HE ARG 62 14.705 -30.638 -15.009 514 1HH1 ARG 62 HH12 ARG 62 13.078 -31.240 -15.608 515 2HH1 ARG 62 HH11 ARG 62 12.503 -32.914 -15.646 516 1HH2 ARG 62 HH22 ARG 62 15.542 -33.950 -14.358 517 2HH2 ARG 62 HH21 ARG 62 13.966 -34.424 -14.956 518 H ALA 63 HN ALA 63 21.529 -33.098 -13.794 519 HA ALA 63 HA ALA 63 23.614 -31.200 -14.484 520 1HB ALA 63 HB2 ALA 63 23.089 -31.709 -12.156 521 2HB ALA 63 HB3 ALA 63 23.483 -33.408 -12.405 522 3HB ALA 63 HB1 ALA 63 24.748 -32.189 -12.509 523 H GLU 64 HN GLU 64 22.941 -33.925 -16.113 524 HA GLU 64 HA GLU 64 23.956 -35.315 -17.521 525 1HB GLU 64 HB1 GLU 64 26.270 -33.402 -17.310 526 2HB GLU 64 HB2 GLU 64 26.195 -34.737 -18.453 527 1HG GLU 64 HG1 GLU 64 24.124 -33.763 -19.461 528 2HG GLU 64 HG2 GLU 64 24.194 -32.429 -18.319 529 H GLN 65 HN GLN 65 26.185 -34.704 -14.826 530 HA GLN 65 HA GLN 65 26.894 -37.580 -14.792 531 1HB GLN 65 HB1 GLN 65 28.063 -35.230 -13.267 532 2HB GLN 65 HB2 GLN 65 28.618 -36.887 -13.123 533 1HG GLN 65 HG1 GLN 65 29.327 -36.900 -15.493 534 2HG GLN 65 HG2 GLN 65 28.735 -35.261 -15.708 535 1HE2 GLN 65 HE21 GLN 65 31.525 -33.882 -13.913 536 2HE2 GLN 65 HE22 GLN 65 29.855 -33.557 -14.264 Start of MODEL 16 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 24.387 -40.430 -9.499 2 2H MET 1 HT3 MET 1 23.607 -39.260 -8.513 3 3H MET 1 HT2 MET 1 25.115 -38.913 -9.216 4 HA MET 1 HA MET 1 26.151 -40.661 -7.939 5 1HB MET 1 HB1 MET 1 26.030 -38.309 -7.166 6 2HB MET 1 HB2 MET 1 24.588 -38.688 -6.251 7 1HG MET 1 HG1 MET 1 25.920 -40.296 -4.860 8 2HG MET 1 HG2 MET 1 27.346 -39.885 -5.792 9 1HE MET 1 HE3 MET 1 25.608 -39.371 -2.599 10 2HE MET 1 HE1 MET 1 25.649 -37.655 -2.242 11 3HE MET 1 HE2 MET 1 24.509 -38.253 -3.437 12 H LEU 2 HN LEU 2 22.682 -40.390 -6.901 13 HA LEU 2 HA LEU 2 22.997 -42.735 -5.212 14 1HB LEU 2 HB1 LEU 2 20.716 -40.844 -5.736 15 2HB LEU 2 HB2 LEU 2 20.509 -42.268 -4.753 16 HG LEU 2 HG LEU 2 22.565 -40.128 -4.130 17 1HD1 LEU 2 HD11 LEU 2 20.281 -39.166 -4.075 18 2HD1 LEU 2 HD12 LEU 2 19.747 -40.476 -3.028 19 3HD1 LEU 2 HD13 LEU 2 20.931 -39.310 -2.447 20 1HD2 LEU 2 HD22 LEU 2 21.355 -42.308 -2.388 21 2HD2 LEU 2 HD23 LEU 2 22.999 -42.304 -3.016 22 3HD2 LEU 2 HD21 LEU 2 22.503 -41.087 -1.856 23 H GLN 3 HN GLN 3 23.505 -43.499 -7.733 24 HA GLN 3 HA GLN 3 21.382 -44.717 -9.167 25 1HB GLN 3 HB1 GLN 3 24.371 -44.923 -9.220 26 2HB GLN 3 HB2 GLN 3 23.433 -46.118 -10.081 27 1HG GLN 3 HG1 GLN 3 24.150 -44.256 -11.547 28 2HG GLN 3 HG2 GLN 3 22.413 -44.415 -11.500 29 1HE2 GLN 3 HE21 GLN 3 21.993 -41.125 -10.238 30 2HE2 GLN 3 HE22 GLN 3 21.187 -42.613 -10.618 31 H LYS 4 HN LYS 4 23.496 -46.007 -6.685 32 HA LYS 4 HA LYS 4 22.475 -48.605 -6.451 33 1HB LYS 4 HB1 LYS 4 23.649 -46.753 -4.363 34 2HB LYS 4 HB2 LYS 4 23.320 -48.453 -4.086 35 1HG LYS 4 HG1 LYS 4 24.859 -49.077 -5.919 36 2HG LYS 4 HG2 LYS 4 25.219 -47.392 -6.212 37 1HD LYS 4 HD1 LYS 4 25.768 -48.776 -3.573 38 2HD LYS 4 HD2 LYS 4 26.941 -48.662 -4.869 39 1HE LYS 4 HE1 LYS 4 26.836 -46.179 -4.730 40 2HE LYS 4 HE2 LYS 4 25.709 -46.313 -3.382 41 1HZ LYS 4 HZ3 LYS 4 27.344 -47.622 -2.187 42 2HZ LYS 4 HZ1 LYS 4 28.431 -47.482 -3.473 43 3HZ LYS 4 HZ2 LYS 4 27.986 -46.108 -2.589 44 H LYS 5 HN LYS 5 21.012 -45.591 -5.344 45 HA LYS 5 HA LYS 5 19.081 -46.898 -3.633 46 1HB LYS 5 HB1 LYS 5 20.137 -44.455 -3.533 47 2HB LYS 5 HB2 LYS 5 18.783 -44.060 -4.562 48 1HG LYS 5 HG1 LYS 5 18.124 -43.576 -2.323 49 2HG LYS 5 HG2 LYS 5 17.269 -45.041 -2.783 50 1HD LYS 5 HD1 LYS 5 18.818 -46.421 -1.503 51 2HD LYS 5 HD2 LYS 5 19.851 -45.043 -1.187 52 1HE LYS 5 HE1 LYS 5 18.578 -45.587 0.785 53 2HE LYS 5 HE2 LYS 5 18.056 -44.025 0.167 54 1HZ LYS 5 HZ1 LYS 5 16.636 -46.630 -0.433 55 2HZ LYS 5 HZ2 LYS 5 16.186 -45.504 0.749 56 3HZ LYS 5 HZ3 LYS 5 16.127 -45.060 -0.868 57 H ILE 6 HN ILE 6 18.976 -45.440 -6.906 58 HA ILE 6 HA ILE 6 16.372 -46.266 -7.651 59 HB ILE 6 HB ILE 6 18.651 -46.935 -9.560 60 1HG1 ILE 6 HG11 ILE 6 17.395 -44.216 -9.623 61 2HG1 ILE 6 HG12 ILE 6 18.911 -44.528 -8.797 62 1HG2 ILE 6 HG22 ILE 6 15.739 -46.097 -10.032 63 2HG2 ILE 6 HG23 ILE 6 16.883 -46.470 -11.302 64 3HG2 ILE 6 HG21 ILE 6 16.386 -47.714 -10.193 65 1HD1 ILE 6 HD13 ILE 6 19.885 -45.411 -10.929 66 2HD1 ILE 6 HD11 ILE 6 18.395 -45.013 -11.772 67 3HD1 ILE 6 HD12 ILE 6 19.375 -43.738 -11.084 68 H GLU 7 HN GLU 7 19.385 -48.180 -7.792 69 HA GLU 7 HA GLU 7 18.213 -50.675 -8.408 70 1HB GLU 7 HB1 GLU 7 20.835 -50.095 -7.020 71 2HB GLU 7 HB2 GLU 7 20.355 -51.657 -7.652 72 1HG GLU 7 HG1 GLU 7 20.320 -50.775 -9.958 73 2HG GLU 7 HG2 GLU 7 20.683 -49.156 -9.370 74 H GLU 8 HN GLU 8 18.561 -49.242 -5.123 75 HA GLU 8 HA GLU 8 17.692 -51.588 -3.781 76 1HB GLU 8 HB1 GLU 8 18.819 -49.624 -2.759 77 2HB GLU 8 HB2 GLU 8 17.395 -48.655 -3.017 78 1HG GLU 8 HG1 GLU 8 17.032 -51.116 -1.327 79 2HG GLU 8 HG2 GLU 8 18.017 -49.849 -0.638 80 H GLU 9 HN GLU 9 15.686 -48.914 -5.113 81 HA GLU 9 HA GLU 9 13.146 -50.347 -4.436 82 1HB GLU 9 HB1 GLU 9 13.654 -47.806 -5.945 83 2HB GLU 9 HB2 GLU 9 12.086 -48.445 -5.470 84 1HG GLU 9 HG1 GLU 9 14.322 -47.836 -3.473 85 2HG GLU 9 HG2 GLU 9 13.125 -46.671 -3.899 86 H ALA 10 HN ALA 10 14.399 -49.340 -7.532 87 HA ALA 10 HA ALA 10 13.145 -51.484 -9.007 88 1HB ALA 10 HB1 ALA 10 15.509 -49.741 -9.673 89 2HB ALA 10 HB2 ALA 10 14.676 -50.788 -10.819 90 3HB ALA 10 HB3 ALA 10 13.812 -49.435 -10.066 91 H ALA 11 HN ALA 11 15.875 -52.157 -6.824 92 HA ALA 11 HA ALA 11 16.269 -54.709 -7.886 93 1HB ALA 11 HB2 ALA 11 17.332 -53.904 -5.781 94 2HB ALA 11 HB3 ALA 11 15.789 -53.979 -4.957 95 3HB ALA 11 HB1 ALA 11 16.545 -55.469 -5.534 96 H LYS 12 HN LYS 12 13.399 -53.436 -6.266 97 HA LYS 12 HA LYS 12 12.319 -56.071 -5.667 98 1HB LYS 12 HB1 LYS 12 11.133 -53.326 -5.188 99 2HB LYS 12 HB2 LYS 12 10.591 -54.834 -4.483 100 1HG LYS 12 HG1 LYS 12 12.755 -55.007 -3.237 101 2HG LYS 12 HG2 LYS 12 13.255 -53.473 -3.930 102 1HD LYS 12 HD1 LYS 12 11.126 -52.469 -2.900 103 2HD LYS 12 HD2 LYS 12 10.966 -53.970 -2.013 104 1HE LYS 12 HE1 LYS 12 12.026 -52.497 -0.513 105 2HE LYS 12 HE2 LYS 12 13.326 -53.525 -1.109 106 1HZ LYS 12 HZ2 LYS 12 12.610 -50.818 -2.235 107 2HZ LYS 12 HZ3 LYS 12 13.925 -51.061 -1.208 108 3HZ LYS 12 HZ1 LYS 12 13.951 -51.797 -2.726 109 OH TYR 13 OH TYR 13 12.592 -52.260 -14.251 110 H TYR 13 HN TYR 13 12.547 -56.106 -8.223 111 HA TYR 13 HA TYR 13 10.415 -55.152 -9.829 112 1HB TYR 13 HB1 TYR 13 12.757 -56.911 -10.160 113 2HB TYR 13 HB2 TYR 13 11.406 -57.394 -11.159 114 HD1 TYR 13 HD1 TYR 13 11.399 -56.470 -13.286 115 HD2 TYR 13 HD2 TYR 13 13.030 -54.055 -10.163 116 HE1 TYR 13 HE1 TYR 13 11.764 -54.623 -14.870 117 HE2 TYR 13 HE2 TYR 13 13.381 -52.267 -11.762 118 HH TYR 13 HH TYR 13 12.991 -51.468 -13.818 119 H LYS 14 HN LYS 14 10.420 -57.936 -7.749 120 HA LYS 14 HA LYS 14 7.906 -58.966 -8.501 121 1HB LYS 14 HB1 LYS 14 7.673 -59.611 -6.069 122 2HB LYS 14 HB2 LYS 14 9.042 -60.267 -6.939 123 1HG LYS 14 HG1 LYS 14 10.583 -58.808 -5.790 124 2HG LYS 14 HG2 LYS 14 9.272 -57.846 -5.118 125 1HD LYS 14 HD1 LYS 14 8.525 -59.767 -3.783 126 2HD LYS 14 HD2 LYS 14 9.795 -60.765 -4.468 127 1HE LYS 14 HE1 LYS 14 11.483 -59.725 -3.275 128 2HE LYS 14 HE2 LYS 14 10.602 -58.207 -3.124 129 1HZ LYS 14 HZ3 LYS 14 9.802 -60.737 -1.796 130 2HZ LYS 14 HZ1 LYS 14 10.654 -59.493 -1.031 131 3HZ LYS 14 HZ2 LYS 14 9.063 -59.213 -1.553 132 OH TYR 15 OH TYR 15 7.676 -58.567 -1.124 133 H TYR 15 HN TYR 15 8.611 -55.954 -6.723 134 HA TYR 15 HA TYR 15 5.707 -55.496 -6.419 135 1HB TYR 15 HB1 TYR 15 7.935 -53.949 -5.093 136 2HB TYR 15 HB2 TYR 15 6.215 -53.809 -4.791 137 HD1 TYR 15 HD1 TYR 15 5.411 -56.737 -4.549 138 HD2 TYR 15 HD2 TYR 15 8.800 -54.670 -3.030 139 HE1 TYR 15 HE1 TYR 15 5.686 -58.448 -2.834 140 HE2 TYR 15 HE2 TYR 15 9.102 -56.434 -1.342 141 HH TYR 15 HH TYR 15 6.929 -59.175 -1.150 142 H ALA 16 HN ALA 16 5.748 -55.390 -8.578 143 HA ALA 16 HA ALA 16 7.098 -53.766 -10.343 144 1HB ALA 16 HB3 ALA 16 4.276 -54.868 -10.540 145 2HB ALA 16 HB1 ALA 16 5.229 -54.266 -11.894 146 3HB ALA 16 HB2 ALA 16 5.765 -55.686 -11.007 147 H MET 17 HN MET 17 4.047 -52.958 -8.731 148 HA MET 17 HA MET 17 3.656 -50.420 -9.966 149 1HB MET 17 HB1 MET 17 1.892 -51.793 -8.833 150 2HB MET 17 HB2 MET 17 2.619 -51.408 -7.290 151 1HG MET 17 HG1 MET 17 0.702 -49.992 -7.592 152 2HG MET 17 HG2 MET 17 2.120 -48.979 -7.702 153 1HE MET 17 HE3 MET 17 2.852 -47.653 -9.612 154 2HE MET 17 HE1 MET 17 1.801 -47.210 -10.938 155 3HE MET 17 HE2 MET 17 1.325 -46.813 -9.288 156 H LEU 18 HN LEU 18 5.650 -51.388 -7.224 157 HA LEU 18 HA LEU 18 5.866 -48.656 -6.212 158 1HB LEU 18 HB1 LEU 18 7.176 -51.187 -5.181 159 2HB LEU 18 HB2 LEU 18 7.135 -49.631 -4.373 160 HG LEU 18 HG LEU 18 4.711 -51.360 -4.982 161 1HD1 LEU 18 HD13 LEU 18 6.104 -50.786 -2.364 162 2HD1 LEU 18 HD11 LEU 18 4.600 -51.685 -2.539 163 3HD1 LEU 18 HD12 LEU 18 6.095 -52.320 -3.209 164 1HD2 LEU 18 HD21 LEU 18 4.872 -48.768 -3.422 165 2HD2 LEU 18 HD22 LEU 18 4.080 -48.978 -4.977 166 3HD2 LEU 18 HD23 LEU 18 3.442 -49.792 -3.552 167 H LYS 19 HN LYS 19 8.364 -51.059 -7.477 168 HA LYS 19 HA LYS 19 10.068 -48.993 -8.204 169 1HB LYS 19 HB1 LYS 19 11.090 -50.455 -9.793 170 2HB LYS 19 HB2 LYS 19 10.599 -51.407 -8.417 171 1HG LYS 19 HG1 LYS 19 9.930 -52.853 -10.045 172 2HG LYS 19 HG2 LYS 19 8.468 -51.891 -9.977 173 1HD LYS 19 HD1 LYS 19 9.251 -50.542 -11.903 174 2HD LYS 19 HD2 LYS 19 10.735 -51.456 -11.944 175 1HE LYS 19 HE1 LYS 19 9.331 -53.517 -12.396 176 2HE LYS 19 HE2 LYS 19 7.935 -52.441 -12.534 177 1HZ LYS 19 HZ1 LYS 19 9.137 -51.173 -14.204 178 2HZ LYS 19 HZ2 LYS 19 10.473 -52.207 -14.083 179 3HZ LYS 19 HZ3 LYS 19 9.007 -52.789 -14.703 180 H LYS 20 HN LYS 20 7.059 -49.819 -10.190 181 HA LYS 20 HA LYS 20 7.601 -47.791 -12.074 182 1HB LYS 20 HB1 LYS 20 4.970 -48.916 -11.163 183 2HB LYS 20 HB2 LYS 20 5.067 -47.623 -12.342 184 1HG LYS 20 HG1 LYS 20 6.475 -49.068 -13.803 185 2HG LYS 20 HG2 LYS 20 6.330 -50.366 -12.619 186 1HD LYS 20 HD1 LYS 20 3.874 -50.363 -12.914 187 2HD LYS 20 HD2 LYS 20 4.016 -49.077 -14.105 188 1HE LYS 20 HE1 LYS 20 5.374 -50.561 -15.546 189 2HE LYS 20 HE2 LYS 20 5.227 -51.850 -14.348 190 1HZ LYS 20 HZ1 LYS 20 2.825 -51.718 -14.562 191 2HZ LYS 20 HZ2 LYS 20 2.968 -50.487 -15.708 192 3HZ LYS 20 HZ3 LYS 20 3.519 -52.046 -16.072 193 H CYS 21 HN CYS 21 6.002 -47.338 -8.796 194 HA CYS 21 HA CYS 21 5.832 -44.571 -8.921 195 1HB CYS 21 HB1 CYS 21 6.606 -46.344 -6.617 196 2HB CYS 21 HB2 CYS 21 6.315 -44.628 -6.446 197 H CYS 22 HN CYS 22 8.839 -46.385 -8.081 198 HA CYS 22 HA CYS 22 10.747 -44.272 -8.344 199 1HB CYS 22 HB1 CYS 22 11.026 -46.911 -8.014 200 2HB CYS 22 HB2 CYS 22 11.714 -46.621 -9.576 201 OH TYR 23 OH TYR 23 13.430 -49.976 -13.213 202 H TYR 23 HN TYR 23 9.365 -45.967 -11.017 203 HA TYR 23 HA TYR 23 10.750 -44.215 -12.795 204 1HB TYR 23 HB1 TYR 23 8.587 -46.188 -13.356 205 2HB TYR 23 HB2 TYR 23 9.649 -45.442 -14.534 206 HD1 TYR 23 HD1 TYR 23 11.795 -46.130 -11.502 207 HD2 TYR 23 HD2 TYR 23 9.653 -48.093 -14.688 208 HE1 TYR 23 HE1 TYR 23 13.505 -47.819 -11.688 209 HE2 TYR 23 HE2 TYR 23 11.378 -49.864 -14.723 210 HH TYR 23 HH TYR 23 14.171 -49.723 -12.653 211 H ASP 24 HN ASP 24 7.392 -44.031 -11.634 212 HA ASP 24 HA ASP 24 6.653 -41.598 -12.857 213 1HB ASP 24 HB1 ASP 24 5.990 -42.424 -10.004 214 2HB ASP 24 HB2 ASP 24 5.243 -41.148 -10.925 215 H GLY 25 HN GLY 25 8.617 -41.969 -9.877 216 1HA GLY 25 HA1 GLY 25 9.265 -39.227 -9.561 217 2HA GLY 25 HA2 GLY 25 10.214 -40.561 -8.948 218 H ALA 26 HN ALA 26 11.143 -41.747 -11.234 219 HA ALA 26 HA ALA 26 13.272 -40.160 -12.135 220 1HB ALA 26 HB1 ALA 26 13.328 -42.600 -12.182 221 2HB ALA 26 HB2 ALA 26 12.095 -42.624 -13.441 222 3HB ALA 26 HB3 ALA 26 13.684 -41.948 -13.778 223 OH TYR 27 OH TYR 27 9.424 -42.996 -19.949 224 H TYR 27 HN TYR 27 10.136 -40.696 -13.859 225 HA TYR 27 HA TYR 27 10.718 -38.813 -15.904 226 1HB TYR 27 HB1 TYR 27 8.160 -39.922 -14.794 227 2HB TYR 27 HB2 TYR 27 8.100 -38.577 -15.912 228 HD1 TYR 27 HD1 TYR 27 8.831 -38.865 -18.261 229 HD2 TYR 27 HD2 TYR 27 8.998 -42.142 -15.564 230 HE1 TYR 27 HE1 TYR 27 9.148 -40.399 -20.148 231 HE2 TYR 27 HE2 TYR 27 9.309 -43.679 -17.476 232 HH TYR 27 HH TYR 27 9.437 -42.512 -20.776 233 NH1 ARG 28 NH1 ARG 28 10.363 -30.746 -11.543 234 NH2 ARG 28 NH2 ARG 28 12.054 -31.465 -10.389 235 H ARG 28 HN ARG 28 11.878 -37.265 -14.765 236 HA ARG 28 HA ARG 28 10.999 -35.241 -13.115 237 1HB ARG 28 HB1 ARG 28 13.299 -35.545 -14.032 238 2HB ARG 28 HB2 ARG 28 12.731 -35.035 -15.593 239 1HG ARG 28 HG1 ARG 28 14.025 -33.287 -14.527 240 2HG ARG 28 HG2 ARG 28 12.393 -32.761 -14.819 241 1HD ARG 28 HD1 ARG 28 12.704 -33.842 -12.099 242 2HD ARG 28 HD2 ARG 28 13.843 -32.551 -12.416 243 HE ARG 28 HE ARG 28 11.298 -31.723 -13.419 244 1HH1 ARG 28 HH12 ARG 28 9.915 -30.642 -12.422 245 2HH1 ARG 28 HH11 ARG 28 9.988 -30.335 -10.702 246 1HH2 ARG 28 HH22 ARG 28 12.954 -31.911 -10.305 247 2HH2 ARG 28 HH21 ARG 28 11.635 -31.010 -9.620 248 H ASN 29 HN ASN 29 9.402 -33.814 -13.184 249 HA ASN 29 HA ASN 29 8.055 -33.092 -15.678 250 1HB ASN 29 HB1 ASN 29 6.356 -32.108 -14.282 251 2HB ASN 29 HB2 ASN 29 6.811 -33.620 -13.525 252 1HD2 ASN 29 HD21 ASN 29 8.381 -31.920 -10.765 253 2HD2 ASN 29 HD22 ASN 29 7.759 -33.453 -11.282 254 H ASP 30 HN ASP 30 7.371 -30.511 -15.461 255 HA ASP 30 HA ASP 30 9.584 -29.095 -16.441 256 1HB ASP 30 HB1 ASP 30 7.953 -27.114 -16.365 257 2HB ASP 30 HB2 ASP 30 7.445 -28.524 -17.280 258 H ASP 31 HN ASP 31 7.869 -27.542 -13.651 259 HA ASP 31 HA ASP 31 10.500 -27.394 -12.283 260 1HB ASP 31 HB1 ASP 31 8.692 -25.022 -12.859 261 2HB ASP 31 HB2 ASP 31 10.069 -24.979 -11.766 262 H GLU 32 HN GLU 32 7.549 -28.616 -11.764 263 HA GLU 32 HA GLU 32 6.930 -27.625 -9.135 264 1HB GLU 32 HB1 GLU 32 5.207 -28.463 -10.602 265 2HB GLU 32 HB2 GLU 32 6.001 -30.016 -10.741 266 1HG GLU 32 HG1 GLU 32 5.478 -30.559 -8.406 267 2HG GLU 32 HG2 GLU 32 4.853 -28.942 -8.127 268 H THR 33 HN THR 33 7.284 -28.663 -7.117 269 HA THR 33 HA THR 33 9.767 -30.126 -6.933 270 HB THR 33 HB THR 33 9.524 -29.852 -4.483 271 HG1 THR 33 HG1 THR 33 7.683 -29.148 -3.615 272 1HG2 THR 33 HG22 THR 33 10.568 -27.991 -5.737 273 2HG2 THR 33 HG23 THR 33 8.967 -27.279 -5.961 274 3HG2 THR 33 HG21 THR 33 9.637 -27.430 -4.345 275 H CYS 34 HN CYS 34 10.052 -31.966 -5.522 276 HA CYS 34 HA CYS 34 8.656 -34.192 -6.469 277 1HB CYS 34 HB1 CYS 34 10.567 -33.954 -4.122 278 2HB CYS 34 HB2 CYS 34 10.025 -35.468 -4.809 279 H GLU 35 HN GLU 35 8.634 -32.889 -3.147 280 HA GLU 35 HA GLU 35 6.692 -34.783 -2.230 281 1HB GLU 35 HB1 GLU 35 6.816 -33.712 -0.125 282 2HB GLU 35 HB2 GLU 35 8.427 -33.646 -0.785 283 1HG GLU 35 HG1 GLU 35 6.478 -31.314 -0.477 284 2HG GLU 35 HG2 GLU 35 7.984 -31.553 0.366 285 H GLU 36 HN GLU 36 6.261 -31.687 -3.804 286 HA GLU 36 HA GLU 36 3.514 -31.309 -3.039 287 1HB GLU 36 HB1 GLU 36 4.977 -29.485 -3.751 288 2HB GLU 36 HB2 GLU 36 5.182 -30.208 -5.325 289 1HG GLU 36 HG1 GLU 36 2.827 -29.765 -5.900 290 2HG GLU 36 HG2 GLU 36 2.497 -29.205 -4.269 291 NH1 ARG 37 NH1 ARG 37 9.222 -36.284 -10.634 292 NH2 ARG 37 NH2 ARG 37 7.427 -36.191 -11.850 293 H ARG 37 HN ARG 37 4.996 -32.473 -6.123 294 HA ARG 37 HA ARG 37 2.526 -33.521 -7.070 295 1HB ARG 37 HB1 ARG 37 3.638 -34.695 -8.786 296 2HB ARG 37 HB2 ARG 37 4.168 -33.040 -8.705 297 1HG ARG 37 HG1 ARG 37 6.346 -33.662 -7.903 298 2HG ARG 37 HG2 ARG 37 5.849 -35.329 -7.624 299 1HD ARG 37 HD1 ARG 37 5.409 -35.618 -10.024 300 2HD ARG 37 HD2 ARG 37 5.890 -33.950 -10.329 301 HE ARG 37 HE ARG 37 8.069 -35.055 -9.029 302 1HH1 ARG 37 HH12 ARG 37 9.739 -36.062 -9.821 303 2HH1 ARG 37 HH11 ARG 37 9.623 -36.823 -11.371 304 1HH2 ARG 37 HH22 ARG 37 6.482 -35.943 -11.977 305 2HH2 ARG 37 HH21 ARG 37 7.965 -36.678 -12.569 306 H ALA 38 HN ALA 38 5.149 -35.234 -5.189 307 HA ALA 38 HA ALA 38 3.414 -37.529 -5.099 308 1HB ALA 38 HB2 ALA 38 6.116 -37.042 -4.002 309 2HB ALA 38 HB3 ALA 38 5.201 -38.558 -3.820 310 3HB ALA 38 HB1 ALA 38 5.536 -37.953 -5.445 311 H ALA 39 HN ALA 39 3.320 -34.738 -2.911 312 HA ALA 39 HA ALA 39 1.526 -36.119 -1.206 313 1HB ALA 39 HB3 ALA 39 2.301 -33.841 -0.732 314 2HB ALA 39 HB1 ALA 39 1.454 -33.233 -2.148 315 3HB ALA 39 HB2 ALA 39 0.538 -33.886 -0.788 316 NH1 ARG 40 NH1 ARG 40 0.299 -31.013 -8.305 317 NH2 ARG 40 NH2 ARG 40 1.062 -32.595 -9.613 318 H ARG 40 HN ARG 40 0.986 -34.702 -4.443 319 HA ARG 40 HA ARG 40 -1.725 -35.594 -4.700 320 1HB ARG 40 HB1 ARG 40 -0.505 -33.903 -6.074 321 2HB ARG 40 HB2 ARG 40 0.392 -35.197 -6.816 322 1HG ARG 40 HG1 ARG 40 -1.835 -36.058 -7.736 323 2HG ARG 40 HG2 ARG 40 -2.555 -34.571 -7.139 324 1HD ARG 40 HD1 ARG 40 -0.283 -34.786 -9.134 325 2HD ARG 40 HD2 ARG 40 -1.937 -34.335 -9.520 326 HE ARG 40 HE ARG 40 -1.511 -32.374 -7.887 327 1HH1 ARG 40 HH12 ARG 40 -0.386 -30.668 -7.685 328 2HH1 ARG 40 HH11 ARG 40 1.113 -30.458 -8.556 329 1HH2 ARG 40 HH22 ARG 40 0.940 -33.485 -10.018 330 2HH2 ARG 40 HH21 ARG 40 1.862 -32.012 -9.825 331 H ILE 41 HN ILE 41 1.240 -37.320 -5.903 332 HA ILE 41 HA ILE 41 -0.067 -39.770 -6.232 333 HB ILE 41 HB ILE 41 2.966 -39.479 -6.128 334 1HG1 ILE 41 HG11 ILE 41 2.094 -40.103 -8.696 335 2HG1 ILE 41 HG12 ILE 41 0.871 -38.943 -8.155 336 1HG2 ILE 41 HG22 ILE 41 1.264 -41.727 -6.916 337 2HG2 ILE 41 HG23 ILE 41 3.029 -41.419 -7.232 338 3HG2 ILE 41 HG21 ILE 41 2.411 -41.665 -5.563 339 1HD1 ILE 41 HD13 ILE 41 3.763 -38.491 -7.673 340 2HD1 ILE 41 HD11 ILE 41 2.988 -37.955 -9.205 341 3HD1 ILE 41 HD12 ILE 41 2.488 -37.312 -7.632 342 H LYS 42 HN LYS 42 -1.109 -40.119 -4.785 343 HA LYS 42 HA LYS 42 -0.430 -40.630 -1.952 344 1HB LYS 42 HB1 LYS 42 -3.046 -40.230 -3.390 345 2HB LYS 42 HB2 LYS 42 -3.020 -40.932 -1.784 346 1HG LYS 42 HG1 LYS 42 -1.849 -38.931 -0.917 347 2HG LYS 42 HG2 LYS 42 -1.875 -38.222 -2.524 348 1HD LYS 42 HD1 LYS 42 -4.334 -38.212 -2.509 349 2HD LYS 42 HD2 LYS 42 -4.351 -39.016 -0.955 350 1HE LYS 42 HE1 LYS 42 -4.817 -36.703 -0.573 351 2HE LYS 42 HE2 LYS 42 -3.206 -37.037 0.048 352 1HZ LYS 42 HZ3 LYS 42 -3.741 -35.955 -2.655 353 2HZ LYS 42 HZ1 LYS 42 -3.327 -34.992 -1.323 354 3HZ LYS 42 HZ2 LYS 42 -2.190 -36.100 -1.947 355 H ILE 43 HN ILE 43 0.046 -42.716 -4.243 356 HA ILE 43 HA ILE 43 -1.838 -44.818 -3.900 357 HB ILE 43 HB ILE 43 0.897 -44.826 -5.151 358 1HG1 ILE 43 HG11 ILE 43 -0.489 -43.278 -6.334 359 2HG1 ILE 43 HG12 ILE 43 -0.195 -44.681 -7.322 360 1HG2 ILE 43 HG22 ILE 43 -1.208 -46.971 -5.448 361 2HG2 ILE 43 HG23 ILE 43 0.241 -46.827 -6.441 362 3HG2 ILE 43 HG21 ILE 43 0.383 -47.143 -4.722 363 1HD1 ILE 43 HD13 ILE 43 -2.509 -45.491 -6.867 364 2HD1 ILE 43 HD11 ILE 43 -2.806 -44.069 -5.873 365 3HD1 ILE 43 HD12 ILE 43 -2.500 -43.892 -7.592 366 H GLY 44 HN GLY 44 1.360 -44.414 -2.346 367 1HA GLY 44 HA1 GLY 44 0.451 -45.738 -0.037 368 2HA GLY 44 HA2 GLY 44 1.390 -46.886 -0.961 369 HA PRO 45 HA PRO 45 4.175 -44.111 1.986 370 1HB PRO 45 HB1 PRO 45 4.427 -46.880 3.206 371 2HB PRO 45 HB2 PRO 45 4.605 -45.289 3.969 372 1HG PRO 45 HG1 PRO 45 2.309 -46.541 4.265 373 2HG PRO 45 HG2 PRO 45 2.261 -44.830 3.792 374 1HD PRO 45 HD1 PRO 45 1.978 -47.288 2.031 375 2HD PRO 45 HD2 PRO 45 0.979 -45.818 2.087 376 H LYS 46 HN LYS 46 4.792 -47.465 0.994 377 HA LYS 46 HA LYS 46 7.547 -47.194 0.394 378 1HB LYS 46 HB1 LYS 46 5.504 -49.204 -0.561 379 2HB LYS 46 HB2 LYS 46 7.225 -49.315 -0.885 380 1HG LYS 46 HG1 LYS 46 7.691 -49.442 1.542 381 2HG LYS 46 HG2 LYS 46 5.969 -49.348 1.884 382 1HD LYS 46 HD1 LYS 46 5.598 -51.437 0.602 383 2HD LYS 46 HD2 LYS 46 7.318 -51.527 0.251 384 1HE LYS 46 HE1 LYS 46 7.804 -51.725 2.665 385 2HE LYS 46 HE2 LYS 46 6.077 -51.638 3.017 386 1HZ LYS 46 HZ3 LYS 46 7.387 -53.666 1.288 387 2HZ LYS 46 HZ1 LYS 46 6.831 -53.944 2.862 388 3HZ LYS 46 HZ2 LYS 46 5.734 -53.582 1.625 389 H CYS 47 HN CYS 47 4.709 -46.489 -1.528 390 HA CYS 47 HA CYS 47 6.024 -46.158 -4.049 391 1HB CYS 47 HB1 CYS 47 3.624 -46.560 -3.982 392 2HB CYS 47 HB2 CYS 47 3.380 -45.115 -3.030 393 H VAL 48 HN VAL 48 4.692 -43.445 -1.905 394 HA VAL 48 HA VAL 48 6.146 -41.511 -2.787 395 HB VAL 48 HB VAL 48 6.365 -41.471 0.189 396 1HG1 VAL 48 HG13 VAL 48 6.442 -39.456 -1.399 397 2HG1 VAL 48 HG11 VAL 48 4.809 -39.949 -1.896 398 3HG1 VAL 48 HG12 VAL 48 5.089 -39.325 -0.262 399 1HG2 VAL 48 HG21 VAL 48 4.522 -42.852 0.142 400 2HG2 VAL 48 HG22 VAL 48 4.086 -41.242 0.730 401 3HG2 VAL 48 HG23 VAL 48 3.615 -41.748 -0.897 402 H LYS 49 HN LYS 49 7.540 -43.789 -0.446 403 HA LYS 49 HA LYS 49 10.170 -42.798 -0.309 404 1HB LYS 49 HB1 LYS 49 9.407 -44.335 1.261 405 2HB LYS 49 HB2 LYS 49 8.904 -45.477 0.053 406 1HG LYS 49 HG1 LYS 49 10.719 -46.362 1.302 407 2HG LYS 49 HG2 LYS 49 11.185 -46.148 -0.360 408 1HD LYS 49 HD1 LYS 49 12.473 -44.099 0.310 409 2HD LYS 49 HD2 LYS 49 12.021 -44.403 1.981 410 1HE LYS 49 HE1 LYS 49 14.211 -45.322 1.680 411 2HE LYS 49 HE2 LYS 49 13.104 -46.686 1.769 412 1HZ LYS 49 HZ3 LYS 49 13.020 -46.733 -0.716 413 2HZ LYS 49 HZ1 LYS 49 14.148 -45.456 -0.782 414 3HZ LYS 49 HZ2 LYS 49 14.593 -47.004 -0.167 415 H ALA 50 HN ALA 50 9.249 -45.475 -2.599 416 HA ALA 50 HA ALA 50 11.543 -45.484 -4.306 417 1HB ALA 50 HB2 ALA 50 9.748 -47.149 -4.308 418 2HB ALA 50 HB3 ALA 50 8.644 -45.976 -4.995 419 3HB ALA 50 HB1 ALA 50 10.033 -46.542 -5.923 420 H PHE 51 HN PHE 51 8.572 -43.503 -4.607 421 HA PHE 51 HA PHE 51 9.213 -41.985 -6.859 422 1HB PHE 51 HB1 PHE 51 7.034 -42.165 -5.405 423 2HB PHE 51 HB2 PHE 51 7.711 -40.860 -4.467 424 HD1 PHE 51 HD1 PHE 51 8.456 -38.686 -5.929 425 HD2 PHE 51 HD2 PHE 51 5.537 -41.536 -7.130 426 HE1 PHE 51 HE1 PHE 51 7.784 -37.245 -7.788 427 HE2 PHE 51 HE2 PHE 51 4.828 -40.120 -8.847 428 HZ PHE 51 HZ PHE 51 6.064 -38.002 -9.368 429 H LYS 52 HN LYS 52 9.684 -40.942 -3.433 430 HA LYS 52 HA LYS 52 10.979 -38.529 -4.012 431 1HB LYS 52 HB1 LYS 52 9.899 -38.955 -1.910 432 2HB LYS 52 HB2 LYS 52 10.917 -40.315 -1.575 433 1HG LYS 52 HG1 LYS 52 12.148 -37.567 -1.751 434 2HG LYS 52 HG2 LYS 52 11.224 -37.991 -0.329 435 1HD LYS 52 HD1 LYS 52 13.650 -39.539 -1.307 436 2HD LYS 52 HD2 LYS 52 13.692 -38.289 -0.094 437 1HE LYS 52 HE1 LYS 52 12.498 -39.584 1.483 438 2HE LYS 52 HE2 LYS 52 11.976 -40.755 0.272 439 1HZ LYS 52 HZ1 LYS 52 14.804 -40.224 0.973 440 2HZ LYS 52 HZ2 LYS 52 13.916 -41.552 1.537 441 3HZ LYS 52 HZ3 LYS 52 14.276 -41.419 -0.135 442 H ASP 53 HN ASP 53 12.432 -41.763 -3.348 443 HA ASP 53 HA ASP 53 15.132 -40.893 -3.489 444 1HB ASP 53 HB1 ASP 53 13.857 -43.587 -4.020 445 2HB ASP 53 HB2 ASP 53 15.588 -43.342 -4.047 446 H CYS 54 HN CYS 54 13.288 -42.533 -6.173 447 HA CYS 54 HA CYS 54 15.134 -41.837 -8.166 448 1HB CYS 54 HB1 CYS 54 12.292 -42.681 -8.161 449 2HB CYS 54 HB2 CYS 54 13.004 -42.131 -9.652 450 H CYS 55 HN CYS 55 12.414 -39.776 -6.998 451 HA CYS 55 HA CYS 55 12.745 -37.729 -8.914 452 1HB CYS 55 HB1 CYS 55 10.875 -38.042 -7.208 453 2HB CYS 55 HB2 CYS 55 11.931 -37.289 -6.039 454 OH TYR 56 OH TYR 56 14.676 -35.117 0.004 455 H TYR 56 HN TYR 56 14.432 -38.122 -5.745 456 HA TYR 56 HA TYR 56 16.226 -35.969 -6.031 457 1HB TYR 56 HB1 TYR 56 16.487 -38.642 -4.661 458 2HB TYR 56 HB2 TYR 56 17.800 -37.486 -4.658 459 HD1 TYR 56 HD1 TYR 56 17.532 -37.800 -2.164 460 HD2 TYR 56 HD2 TYR 56 14.509 -35.814 -4.420 461 HE1 TYR 56 HE1 TYR 56 16.674 -36.722 -0.123 462 HE2 TYR 56 HE2 TYR 56 13.695 -34.763 -2.399 463 HH TYR 56 HH TYR 56 13.934 -34.546 -0.199 464 H ILE 57 HN ILE 57 16.711 -39.338 -7.261 465 HA ILE 57 HA ILE 57 19.023 -38.749 -8.762 466 HB ILE 57 HB ILE 57 16.901 -40.810 -9.152 467 1HG1 ILE 57 HG11 ILE 57 19.398 -42.031 -8.852 468 2HG1 ILE 57 HG12 ILE 57 19.507 -40.609 -7.843 469 1HG2 ILE 57 HG21 ILE 57 19.307 -40.582 -10.978 470 2HG2 ILE 57 HG22 ILE 57 18.221 -41.965 -10.862 471 3HG2 ILE 57 HG23 ILE 57 17.618 -40.447 -11.460 472 1HD1 ILE 57 HD13 ILE 57 17.312 -42.678 -7.671 473 2HD1 ILE 57 HD11 ILE 57 18.685 -42.545 -6.578 474 3HD1 ILE 57 HD12 ILE 57 17.471 -41.261 -6.646 475 H ALA 58 HN ALA 58 15.689 -38.544 -9.969 476 HA ALA 58 HA ALA 58 16.103 -37.473 -12.503 477 1HB ALA 58 HB1 ALA 58 13.893 -38.042 -11.609 478 2HB ALA 58 HB2 ALA 58 13.962 -36.664 -10.519 479 3HB ALA 58 HB3 ALA 58 13.894 -36.411 -12.254 480 H ASN 59 HN ASN 59 15.946 -35.542 -9.504 481 HA ASN 59 HA ASN 59 16.793 -33.120 -10.775 482 1HB ASN 59 HB1 ASN 59 16.700 -33.813 -7.844 483 2HB ASN 59 HB2 ASN 59 17.048 -32.213 -8.497 484 1HD2 ASN 59 HD21 ASN 59 13.528 -33.035 -7.597 485 2HD2 ASN 59 HD22 ASN 59 14.287 -34.530 -8.069 486 H GLN 60 HN GLN 60 18.787 -35.592 -9.027 487 HA GLN 60 HA GLN 60 21.270 -34.344 -9.455 488 1HB GLN 60 HB1 GLN 60 20.582 -37.286 -9.437 489 2HB GLN 60 HB2 GLN 60 22.223 -36.694 -9.543 490 1HG GLN 60 HG1 GLN 60 21.919 -35.520 -7.354 491 2HG GLN 60 HG2 GLN 60 20.301 -36.197 -7.244 492 1HE2 GLN 60 HE21 GLN 60 22.516 -38.321 -5.250 493 2HE2 GLN 60 HE22 GLN 60 22.002 -36.666 -5.224 494 H VAL 61 HN VAL 61 19.507 -36.455 -11.774 495 HA VAL 61 HA VAL 61 21.320 -36.147 -13.925 496 HB VAL 61 HB VAL 61 18.330 -36.619 -13.982 497 1HG1 VAL 61 HG12 VAL 61 20.313 -37.003 -16.261 498 2HG1 VAL 61 HG13 VAL 61 18.633 -37.526 -16.269 499 3HG1 VAL 61 HG11 VAL 61 19.015 -35.817 -16.229 500 1HG2 VAL 61 HG21 VAL 61 20.674 -38.541 -14.253 501 2HG2 VAL 61 HG22 VAL 61 19.592 -38.410 -12.869 502 3HG2 VAL 61 HG23 VAL 61 18.975 -38.979 -14.414 503 NH1 ARG 62 NH1 ARG 62 13.984 -27.015 -13.848 504 NH2 ARG 62 NH2 ARG 62 13.073 -29.004 -13.600 505 H ARG 62 HN ARG 62 18.443 -34.117 -13.210 506 HA ARG 62 HA ARG 62 18.824 -32.147 -15.167 507 1HB ARG 62 HB1 ARG 62 16.811 -32.481 -13.780 508 2HB ARG 62 HB2 ARG 62 17.678 -31.886 -12.381 509 1HG ARG 62 HG1 ARG 62 17.794 -29.642 -13.300 510 2HG ARG 62 HG2 ARG 62 17.123 -30.183 -14.832 511 1HD ARG 62 HD1 ARG 62 15.027 -30.779 -13.741 512 2HD ARG 62 HD2 ARG 62 15.664 -30.311 -12.162 513 HE ARG 62 HE ARG 62 16.025 -28.036 -13.569 514 1HH1 ARG 62 HH12 ARG 62 14.793 -26.457 -13.924 515 2HH1 ARG 62 HH11 ARG 62 13.063 -26.590 -13.920 516 1HH2 ARG 62 HH22 ARG 62 13.154 -29.959 -13.354 517 2HH2 ARG 62 HH21 ARG 62 12.165 -28.606 -13.844 518 H ALA 63 HN ALA 63 20.238 -32.132 -11.840 519 HA ALA 63 HA ALA 63 21.913 -29.852 -12.479 520 1HB ALA 63 HB3 ALA 63 21.840 -31.721 -10.091 521 2HB ALA 63 HB1 ALA 63 22.791 -30.240 -10.189 522 3HB ALA 63 HB2 ALA 63 21.030 -30.164 -10.234 523 H GLU 64 HN GLU 64 22.276 -32.824 -13.696 524 HA GLU 64 HA GLU 64 23.884 -34.145 -14.513 525 1HB GLU 64 HB1 GLU 64 25.378 -31.536 -14.598 526 2HB GLU 64 HB2 GLU 64 25.926 -33.003 -15.389 527 1HG GLU 64 HG1 GLU 64 23.803 -33.053 -16.741 528 2HG GLU 64 HG2 GLU 64 23.286 -31.566 -15.962 529 H GLN 65 HN GLN 65 23.725 -34.664 -11.894 530 HA GLN 65 HA GLN 65 26.539 -35.226 -11.110 531 1HB GLN 65 HB1 GLN 65 24.253 -34.394 -9.294 532 2HB GLN 65 HB2 GLN 65 25.805 -34.960 -8.719 533 1HG GLN 65 HG1 GLN 65 25.401 -32.405 -10.345 534 2HG GLN 65 HG2 GLN 65 25.558 -32.480 -8.604 535 1HE2 GLN 65 HE21 GLN 65 28.938 -32.873 -10.792 536 2HE2 GLN 65 HE22 GLN 65 27.432 -33.090 -11.640 Start of MODEL 17 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 17.431 -40.125 -1.409 2 2H MET 1 HT3 MET 1 18.336 -39.268 -0.263 3 3H MET 1 HT2 MET 1 17.847 -38.484 -1.671 4 HA MET 1 HA MET 1 19.257 -39.834 -2.992 5 1HB MET 1 HB1 MET 1 21.385 -38.925 -2.266 6 2HB MET 1 HB2 MET 1 20.109 -37.743 -2.223 7 1HG MET 1 HG1 MET 1 21.112 -39.161 0.269 8 2HG MET 1 HG2 MET 1 21.834 -37.696 -0.336 9 1HE MET 1 HE2 MET 1 20.314 -35.436 -0.766 10 2HE MET 1 HE3 MET 1 19.570 -34.894 0.725 11 3HE MET 1 HE1 MET 1 21.243 -35.429 0.748 12 H LEU 2 HN LEU 2 18.225 -41.769 -0.814 13 HA LEU 2 HA LEU 2 20.536 -43.313 -0.048 14 1HB LEU 2 HB1 LEU 2 17.581 -43.776 0.281 15 2HB LEU 2 HB2 LEU 2 18.751 -45.004 0.676 16 HG LEU 2 HG LEU 2 19.807 -43.320 2.279 17 1HD1 LEU 2 HD11 LEU 2 17.154 -41.892 1.918 18 2HD1 LEU 2 HD12 LEU 2 18.326 -41.573 3.194 19 3HD1 LEU 2 HD13 LEU 2 18.741 -41.236 1.523 20 1HD2 LEU 2 HD22 LEU 2 16.990 -44.320 2.794 21 2HD2 LEU 2 HD23 LEU 2 18.478 -45.236 3.023 22 3HD2 LEU 2 HD21 LEU 2 18.142 -43.839 4.037 23 H GLN 3 HN GLN 3 21.578 -43.924 -1.778 24 HA GLN 3 HA GLN 3 20.835 -45.295 -4.057 25 1HB GLN 3 HB1 GLN 3 23.330 -45.629 -2.367 26 2HB GLN 3 HB2 GLN 3 23.139 -46.299 -3.977 27 1HG GLN 3 HG1 GLN 3 22.873 -44.006 -4.913 28 2HG GLN 3 HG2 GLN 3 23.030 -43.323 -3.304 29 1HE2 GLN 3 HE21 GLN 3 26.391 -44.658 -5.125 30 2HE2 GLN 3 HE22 GLN 3 24.865 -45.183 -5.766 31 H LYS 4 HN LYS 4 21.335 -46.712 -0.867 32 HA LYS 4 HA LYS 4 20.925 -49.416 -1.455 33 1HB LYS 4 HB1 LYS 4 21.825 -48.564 0.663 34 2HB LYS 4 HB2 LYS 4 20.283 -47.855 1.062 35 1HG LYS 4 HG1 LYS 4 20.684 -49.900 2.342 36 2HG LYS 4 HG2 LYS 4 19.266 -50.053 1.339 37 1HD LYS 4 HD1 LYS 4 20.451 -52.132 1.318 38 2HD LYS 4 HD2 LYS 4 20.575 -51.436 -0.276 39 1HE LYS 4 HE1 LYS 4 22.901 -50.638 0.340 40 2HE LYS 4 HE2 LYS 4 22.731 -51.526 1.856 41 1HZ LYS 4 HZ3 LYS 4 22.260 -53.527 0.549 42 2HZ LYS 4 HZ1 LYS 4 22.429 -52.690 -0.931 43 3HZ LYS 4 HZ2 LYS 4 23.769 -52.895 0.112 44 H LYS 5 HN LYS 5 18.415 -46.919 -0.806 45 HA LYS 5 HA LYS 5 16.327 -48.839 -1.136 46 1HB LYS 5 HB1 LYS 5 16.359 -45.943 -0.540 47 2HB LYS 5 HB2 LYS 5 14.981 -46.474 -1.457 48 1HG LYS 5 HG1 LYS 5 15.822 -47.702 1.193 49 2HG LYS 5 HG2 LYS 5 14.575 -46.480 0.999 50 1HD LYS 5 HD1 LYS 5 13.344 -48.056 -0.529 51 2HD LYS 5 HD2 LYS 5 14.540 -49.287 -0.184 52 1HE LYS 5 HE1 LYS 5 13.891 -49.042 2.268 53 2HE LYS 5 HE2 LYS 5 12.494 -48.129 1.679 54 1HZ LYS 5 HZ3 LYS 5 12.115 -50.073 0.062 55 2HZ LYS 5 HZ1 LYS 5 13.320 -50.922 0.852 56 3HZ LYS 5 HZ2 LYS 5 11.910 -50.487 1.715 57 H ILE 6 HN ILE 6 17.703 -46.459 -3.474 58 HA ILE 6 HA ILE 6 16.009 -47.313 -5.617 59 HB ILE 6 HB ILE 6 18.896 -46.575 -6.104 60 1HG1 ILE 6 HG11 ILE 6 16.664 -44.567 -6.244 61 2HG1 ILE 6 HG12 ILE 6 17.440 -44.884 -4.704 62 1HG2 ILE 6 HG23 ILE 6 16.396 -46.367 -7.940 63 2HG2 ILE 6 HG21 ILE 6 17.992 -45.799 -8.345 64 3HG2 ILE 6 HG22 ILE 6 17.707 -47.504 -8.103 65 1HD1 ILE 6 HD11 ILE 6 19.644 -44.345 -5.678 66 2HD1 ILE 6 HD12 ILE 6 18.871 -43.990 -7.218 67 3HD1 ILE 6 HD13 ILE 6 18.517 -43.003 -5.806 68 H GLU 7 HN GLU 7 19.126 -48.704 -4.430 69 HA GLU 7 HA GLU 7 19.168 -50.960 -6.104 70 1HB GLU 7 HB1 GLU 7 21.010 -50.223 -4.609 71 2HB GLU 7 HB2 GLU 7 20.078 -50.757 -3.227 72 1HG GLU 7 HG1 GLU 7 20.186 -53.122 -4.067 73 2HG GLU 7 HG2 GLU 7 21.138 -52.573 -5.440 74 H GLU 8 HN GLU 8 17.750 -51.069 -2.683 75 HA GLU 8 HA GLU 8 16.786 -53.682 -3.316 76 1HB GLU 8 HB1 GLU 8 17.413 -53.016 -1.052 77 2HB GLU 8 HB2 GLU 8 16.187 -51.784 -0.998 78 1HG GLU 8 HG1 GLU 8 15.207 -54.610 -1.310 79 2HG GLU 8 HG2 GLU 8 15.938 -54.203 0.227 80 H GLU 9 HN GLU 9 15.126 -50.596 -3.918 81 HA GLU 9 HA GLU 9 12.720 -52.078 -4.702 82 1HB GLU 9 HB1 GLU 9 13.400 -49.196 -5.312 83 2HB GLU 9 HB2 GLU 9 11.838 -49.975 -5.479 84 1HG GLU 9 HG1 GLU 9 13.302 -49.465 -2.859 85 2HG GLU 9 HG2 GLU 9 11.962 -48.537 -3.446 86 H ALA 10 HN ALA 10 14.917 -50.026 -6.744 87 HA ALA 10 HA ALA 10 14.089 -51.476 -9.097 88 1HB ALA 10 HB1 ALA 10 16.119 -49.282 -8.683 89 2HB ALA 10 HB2 ALA 10 15.609 -49.896 -10.254 90 3HB ALA 10 HB3 ALA 10 14.446 -49.085 -9.208 91 H ALA 11 HN ALA 11 16.737 -52.516 -7.012 92 HA ALA 11 HA ALA 11 17.727 -54.212 -9.142 93 1HB ALA 11 HB1 ALA 11 17.850 -54.499 -6.095 94 2HB ALA 11 HB2 ALA 11 18.711 -55.553 -7.249 95 3HB ALA 11 HB3 ALA 11 19.100 -53.838 -7.146 96 H LYS 12 HN LYS 12 15.312 -54.563 -6.600 97 HA LYS 12 HA LYS 12 14.765 -57.346 -7.337 98 1HB LYS 12 HB1 LYS 12 15.216 -56.478 -4.962 99 2HB LYS 12 HB2 LYS 12 13.612 -55.778 -5.032 100 1HG LYS 12 HG1 LYS 12 12.609 -57.995 -5.300 101 2HG LYS 12 HG2 LYS 12 14.203 -58.749 -5.375 102 1HD LYS 12 HD1 LYS 12 14.692 -58.011 -3.095 103 2HD LYS 12 HD2 LYS 12 13.182 -57.132 -3.020 104 1HE LYS 12 HE1 LYS 12 12.053 -59.433 -3.417 105 2HE LYS 12 HE2 LYS 12 13.632 -60.117 -3.021 106 1HZ LYS 12 HZ2 LYS 12 13.582 -58.690 -0.989 107 2HZ LYS 12 HZ3 LYS 12 11.959 -58.274 -1.315 108 3HZ LYS 12 HZ1 LYS 12 12.395 -59.893 -0.992 109 OH TYR 13 OH TYR 13 14.449 -51.625 -14.216 110 H TYR 13 HN TYR 13 14.094 -56.362 -9.324 111 HA TYR 13 HA TYR 13 11.796 -55.007 -9.965 112 1HB TYR 13 HB1 TYR 13 13.543 -57.003 -11.326 113 2HB TYR 13 HB2 TYR 13 11.979 -56.744 -12.050 114 HD1 TYR 13 HD1 TYR 13 12.762 -55.774 -14.055 115 HD2 TYR 13 HD2 TYR 13 13.951 -53.918 -10.396 116 HE1 TYR 13 HE1 TYR 13 13.525 -53.782 -15.281 117 HE2 TYR 13 HE2 TYR 13 14.712 -51.993 -11.648 118 HH TYR 13 HH TYR 13 14.740 -50.908 -13.605 119 H LYS 14 HN LYS 14 11.598 -58.077 -8.460 120 HA LYS 14 HA LYS 14 8.929 -58.768 -9.025 121 1HB LYS 14 HB1 LYS 14 10.602 -60.002 -7.566 122 2HB LYS 14 HB2 LYS 14 10.328 -58.794 -6.322 123 1HG LYS 14 HG1 LYS 14 7.943 -59.463 -6.186 124 2HG LYS 14 HG2 LYS 14 8.209 -60.643 -7.459 125 1HD LYS 14 HD1 LYS 14 9.823 -61.846 -6.018 126 2HD LYS 14 HD2 LYS 14 9.621 -60.638 -4.768 127 1HE LYS 14 HE1 LYS 14 8.333 -62.538 -4.123 128 2HE LYS 14 HE2 LYS 14 7.204 -61.276 -4.597 129 1HZ LYS 14 HZ3 LYS 14 8.139 -63.478 -6.353 130 2HZ LYS 14 HZ1 LYS 14 6.631 -63.432 -5.582 131 3HZ LYS 14 HZ2 LYS 14 7.014 -62.290 -6.768 132 OH TYR 15 OH TYR 15 10.693 -57.452 -0.991 133 H TYR 15 HN TYR 15 10.208 -56.099 -6.993 134 HA TYR 15 HA TYR 15 7.541 -55.227 -6.185 135 1HB TYR 15 HB1 TYR 15 10.236 -53.871 -5.892 136 2HB TYR 15 HB2 TYR 15 8.757 -53.345 -5.128 137 HD1 TYR 15 HD1 TYR 15 7.967 -56.458 -4.415 138 HD2 TYR 15 HD2 TYR 15 11.356 -53.967 -3.740 139 HE1 TYR 15 HE1 TYR 15 8.576 -57.806 -2.486 140 HE2 TYR 15 HE2 TYR 15 11.942 -55.323 -1.782 141 HH TYR 15 HH TYR 15 9.965 -58.054 -0.797 142 H ALA 16 HN ALA 16 7.071 -55.376 -8.541 143 HA ALA 16 HA ALA 16 8.149 -53.825 -10.566 144 1HB ALA 16 HB3 ALA 16 5.377 -55.034 -10.357 145 2HB ALA 16 HB1 ALA 16 6.127 -54.469 -11.849 146 3HB ALA 16 HB2 ALA 16 6.835 -55.812 -10.963 147 H MET 17 HN MET 17 5.082 -53.051 -8.914 148 HA MET 17 HA MET 17 4.686 -50.527 -10.174 149 1HB MET 17 HB1 MET 17 3.554 -51.675 -7.604 150 2HB MET 17 HB2 MET 17 3.030 -50.163 -8.319 151 1HG MET 17 HG1 MET 17 2.305 -51.358 -10.362 152 2HG MET 17 HG2 MET 17 2.840 -52.879 -9.676 153 1HE MET 17 HE3 MET 17 0.441 -49.781 -8.968 154 2HE MET 17 HE1 MET 17 -0.159 -50.741 -10.339 155 3HE MET 17 HE2 MET 17 -1.057 -50.683 -8.831 156 H LEU 18 HN LEU 18 6.638 -51.428 -7.446 157 HA LEU 18 HA LEU 18 6.767 -48.724 -6.349 158 1HB LEU 18 HB1 LEU 18 8.097 -51.276 -5.402 159 2HB LEU 18 HB2 LEU 18 8.042 -49.764 -4.528 160 HG LEU 18 HG LEU 18 5.597 -51.414 -5.263 161 1HD1 LEU 18 HD13 LEU 18 7.016 -51.141 -2.609 162 2HD1 LEU 18 HD11 LEU 18 5.487 -51.974 -2.867 163 3HD1 LEU 18 HD12 LEU 18 6.960 -52.582 -3.612 164 1HD2 LEU 18 HD21 LEU 18 5.868 -48.968 -3.497 165 2HD2 LEU 18 HD22 LEU 18 5.060 -49.026 -5.056 166 3HD2 LEU 18 HD23 LEU 18 4.393 -49.922 -3.693 167 H LYS 19 HN LYS 19 9.115 -51.021 -7.876 168 HA LYS 19 HA LYS 19 11.006 -48.920 -8.220 169 1HB LYS 19 HB1 LYS 19 12.123 -50.340 -9.822 170 2HB LYS 19 HB2 LYS 19 11.590 -51.315 -8.477 171 1HG LYS 19 HG1 LYS 19 11.034 -52.752 -10.141 172 2HG LYS 19 HG2 LYS 19 9.544 -51.837 -10.114 173 1HD LYS 19 HD1 LYS 19 10.369 -50.451 -12.014 174 2HD LYS 19 HD2 LYS 19 11.852 -51.373 -12.026 175 1HE LYS 19 HE1 LYS 19 10.483 -53.433 -12.490 176 2HE LYS 19 HE2 LYS 19 9.058 -52.393 -12.600 177 1HZ LYS 19 HZ3 LYS 19 11.548 -52.091 -14.183 178 2HZ LYS 19 HZ1 LYS 19 10.096 -52.726 -14.786 179 3HZ LYS 19 HZ2 LYS 19 10.183 -51.102 -14.301 180 H LYS 20 HN LYS 20 8.176 -49.817 -10.313 181 HA LYS 20 HA LYS 20 8.688 -47.798 -12.240 182 1HB LYS 20 HB1 LYS 20 7.039 -49.747 -12.317 183 2HB LYS 20 HB2 LYS 20 5.979 -48.800 -11.319 184 1HG LYS 20 HG1 LYS 20 6.656 -47.097 -13.500 185 2HG LYS 20 HG2 LYS 20 6.475 -48.681 -14.202 186 1HD LYS 20 HD1 LYS 20 4.367 -47.488 -14.330 187 2HD LYS 20 HD2 LYS 20 4.203 -48.877 -13.283 188 1HE LYS 20 HE1 LYS 20 3.004 -46.872 -12.442 189 2HE LYS 20 HE2 LYS 20 4.198 -47.459 -11.297 190 1HZ LYS 20 HZ2 LYS 20 5.778 -45.795 -12.167 191 2HZ LYS 20 HZ3 LYS 20 4.601 -45.203 -13.217 192 3HZ LYS 20 HZ1 LYS 20 4.461 -45.022 -11.547 193 H CYS 21 HN CYS 21 7.037 -47.495 -8.992 194 HA CYS 21 HA CYS 21 6.630 -44.735 -9.097 195 1HB CYS 21 HB1 CYS 21 5.878 -46.444 -7.400 196 2HB CYS 21 HB2 CYS 21 7.476 -46.344 -6.687 197 H CYS 22 HN CYS 22 9.683 -46.373 -7.978 198 HA CYS 22 HA CYS 22 11.543 -44.229 -8.015 199 1HB CYS 22 HB1 CYS 22 11.855 -46.821 -7.786 200 2HB CYS 22 HB2 CYS 22 12.403 -46.603 -9.399 201 OH TYR 23 OH TYR 23 14.998 -49.485 -12.749 202 H TYR 23 HN TYR 23 10.430 -45.852 -10.866 203 HA TYR 23 HA TYR 23 11.804 -43.924 -12.443 204 1HB TYR 23 HB1 TYR 23 9.927 -46.069 -13.266 205 2HB TYR 23 HB2 TYR 23 11.036 -45.189 -14.299 206 HD1 TYR 23 HD1 TYR 23 11.183 -47.864 -14.414 207 HD2 TYR 23 HD2 TYR 23 13.052 -45.775 -11.104 208 HE1 TYR 23 HE1 TYR 23 13.019 -49.514 -14.353 209 HE2 TYR 23 HE2 TYR 23 14.854 -47.326 -11.229 210 HH TYR 23 HH TYR 23 15.685 -49.203 -12.139 211 H ASP 24 HN ASP 24 8.346 -43.942 -11.491 212 HA ASP 24 HA ASP 24 7.627 -41.474 -12.649 213 1HB ASP 24 HB1 ASP 24 6.947 -42.377 -9.831 214 2HB ASP 24 HB2 ASP 24 6.285 -40.987 -10.650 215 H GLY 25 HN GLY 25 9.517 -41.906 -9.645 216 1HA GLY 25 HA1 GLY 25 10.207 -39.208 -9.223 217 2HA GLY 25 HA2 GLY 25 11.191 -40.568 -8.732 218 H ALA 26 HN ALA 26 12.086 -41.609 -11.034 219 HA ALA 26 HA ALA 26 14.135 -39.955 -11.974 220 1HB ALA 26 HB2 ALA 26 14.231 -42.384 -12.161 221 2HB ALA 26 HB3 ALA 26 12.951 -42.357 -13.376 222 3HB ALA 26 HB1 ALA 26 14.513 -41.632 -13.727 223 OH TYR 27 OH TYR 27 10.871 -42.664 -19.806 224 H TYR 27 HN TYR 27 10.984 -40.526 -13.674 225 HA TYR 27 HA TYR 27 11.480 -38.421 -15.559 226 1HB TYR 27 HB1 TYR 27 8.977 -39.858 -14.689 227 2HB TYR 27 HB2 TYR 27 8.894 -38.495 -15.782 228 HD1 TYR 27 HD1 TYR 27 10.013 -41.988 -15.433 229 HD2 TYR 27 HD2 TYR 27 9.877 -38.655 -18.064 230 HE1 TYR 27 HE1 TYR 27 10.584 -43.452 -17.323 231 HE2 TYR 27 HE2 TYR 27 10.459 -40.134 -19.951 232 HH TYR 27 HH TYR 27 10.977 -43.568 -19.510 233 NH1 ARG 28 NH1 ARG 28 12.932 -30.467 -8.750 234 NH2 ARG 28 NH2 ARG 28 11.037 -30.863 -9.768 235 H ARG 28 HN ARG 28 12.420 -36.897 -14.012 236 HA ARG 28 HA ARG 28 10.975 -35.374 -12.202 237 1HB ARG 28 HB1 ARG 28 13.393 -35.366 -12.462 238 2HB ARG 28 HB2 ARG 28 13.260 -34.571 -14.012 239 1HG ARG 28 HG1 ARG 28 14.022 -33.046 -12.252 240 2HG ARG 28 HG2 ARG 28 12.514 -32.501 -12.938 241 1HD ARG 28 HD1 ARG 28 11.277 -33.133 -11.002 242 2HD ARG 28 HD2 ARG 28 12.584 -34.135 -10.395 243 HE ARG 28 HE ARG 28 13.891 -31.892 -10.226 244 1HH1 ARG 28 HH12 ARG 28 13.904 -30.702 -8.639 245 2HH1 ARG 28 HH11 ARG 28 12.481 -29.730 -8.269 246 1HH2 ARG 28 HH22 ARG 28 10.533 -31.275 -10.528 247 2HH2 ARG 28 HH21 ARG 28 10.593 -30.180 -9.153 248 H ASN 29 HN ASN 29 9.088 -34.298 -12.493 249 HA ASN 29 HA ASN 29 8.563 -32.612 -14.770 250 1HB ASN 29 HB1 ASN 29 7.229 -32.767 -12.048 251 2HB ASN 29 HB2 ASN 29 6.662 -31.741 -13.346 252 1HD2 ASN 29 HD21 ASN 29 5.739 -34.673 -15.321 253 2HD2 ASN 29 HD22 ASN 29 5.955 -32.953 -15.418 254 H ASP 30 HN ASP 30 9.520 -30.765 -15.142 255 HA ASP 30 HA ASP 30 11.170 -29.265 -13.403 256 1HB ASP 30 HB1 ASP 30 10.048 -28.753 -16.184 257 2HB ASP 30 HB2 ASP 30 11.196 -27.678 -15.407 258 H ASP 31 HN ASP 31 9.013 -29.236 -11.932 259 HA ASP 31 HA ASP 31 8.232 -26.399 -11.837 260 1HB ASP 31 HB1 ASP 31 5.753 -27.110 -11.478 261 2HB ASP 31 HB2 ASP 31 6.409 -27.074 -13.104 262 H GLU 32 HN GLU 32 6.935 -29.166 -9.988 263 HA GLU 32 HA GLU 32 7.162 -27.845 -7.464 264 1HB GLU 32 HB1 GLU 32 6.575 -30.702 -8.308 265 2HB GLU 32 HB2 GLU 32 6.427 -30.138 -6.651 266 1HG GLU 32 HG1 GLU 32 4.659 -28.551 -7.288 267 2HG GLU 32 HG2 GLU 32 4.846 -28.978 -8.986 268 H THR 33 HN THR 33 8.144 -29.084 -5.495 269 HA THR 33 HA THR 33 10.710 -30.379 -6.205 270 HB THR 33 HB THR 33 10.964 -28.745 -4.497 271 HG1 THR 33 HG1 THR 33 11.434 -31.163 -3.089 272 1HG2 THR 33 HG23 THR 33 8.855 -28.894 -3.230 273 2HG2 THR 33 HG21 THR 33 9.314 -30.506 -2.672 274 3HG2 THR 33 HG22 THR 33 10.273 -29.109 -2.203 275 H CYS 34 HN CYS 34 11.281 -32.380 -5.023 276 HA CYS 34 HA CYS 34 9.760 -34.414 -6.211 277 1HB CYS 34 HB1 CYS 34 11.955 -34.530 -4.125 278 2HB CYS 34 HB2 CYS 34 11.341 -35.941 -4.955 279 H GLU 35 HN GLU 35 10.127 -33.714 -2.824 280 HA GLU 35 HA GLU 35 8.349 -35.833 -1.942 281 1HB GLU 35 HB1 GLU 35 8.706 -34.927 0.362 282 2HB GLU 35 HB2 GLU 35 10.105 -35.544 -0.464 283 1HG GLU 35 HG1 GLU 35 9.525 -32.557 -0.237 284 2HG GLU 35 HG2 GLU 35 10.476 -33.441 0.940 285 H GLU 36 HN GLU 36 7.825 -32.573 -2.830 286 HA GLU 36 HA GLU 36 5.186 -32.292 -1.635 287 1HB GLU 36 HB1 GLU 36 6.565 -30.376 -2.066 288 2HB GLU 36 HB2 GLU 36 6.823 -30.847 -3.731 289 1HG GLU 36 HG1 GLU 36 4.397 -30.303 -4.212 290 2HG GLU 36 HG2 GLU 36 4.260 -29.700 -2.570 291 NH1 ARG 37 NH1 ARG 37 9.469 -36.456 -10.134 292 NH2 ARG 37 NH2 ARG 37 7.941 -36.035 -11.606 293 H ARG 37 HN ARG 37 6.423 -32.805 -4.930 294 HA ARG 37 HA ARG 37 4.096 -33.611 -6.259 295 1HB ARG 37 HB1 ARG 37 6.343 -33.082 -7.265 296 2HB ARG 37 HB2 ARG 37 6.941 -34.614 -6.674 297 1HG ARG 37 HG1 ARG 37 5.558 -35.855 -8.172 298 2HG ARG 37 HG2 ARG 37 4.574 -34.459 -8.555 299 1HD ARG 37 HD1 ARG 37 5.922 -34.860 -10.453 300 2HD ARG 37 HD2 ARG 37 6.614 -33.452 -9.677 301 HE ARG 37 HE ARG 37 8.252 -35.163 -8.626 302 1HH1 ARG 37 HH12 ARG 37 9.885 -36.344 -9.245 303 2HH1 ARG 37 HH11 ARG 37 9.891 -37.021 -10.837 304 1HH2 ARG 37 HH22 ARG 37 7.085 -35.601 -11.920 305 2HH2 ARG 37 HH21 ARG 37 8.479 -36.604 -12.260 306 H ALA 38 HN ALA 38 6.450 -35.766 -4.543 307 HA ALA 38 HA ALA 38 4.501 -37.881 -4.549 308 1HB ALA 38 HB2 ALA 38 7.318 -37.804 -3.649 309 2HB ALA 38 HB3 ALA 38 6.247 -39.218 -3.522 310 3HB ALA 38 HB1 ALA 38 6.530 -38.490 -5.103 311 H ALA 39 HN ALA 39 4.887 -35.390 -2.037 312 HA ALA 39 HA ALA 39 3.246 -36.793 -0.245 313 1HB ALA 39 HB3 ALA 39 4.144 -34.561 0.241 314 2HB ALA 39 HB1 ALA 39 3.124 -33.857 -1.009 315 3HB ALA 39 HB2 ALA 39 2.390 -34.570 0.429 316 NH1 ARG 40 NH1 ARG 40 1.912 -33.205 -8.770 317 NH2 ARG 40 NH2 ARG 40 1.215 -32.377 -6.864 318 H ARG 40 HN ARG 40 2.353 -35.208 -3.310 319 HA ARG 40 HA ARG 40 -0.379 -36.127 -3.205 320 1HB ARG 40 HB1 ARG 40 0.337 -34.232 -4.535 321 2HB ARG 40 HB2 ARG 40 1.321 -35.268 -5.543 322 1HG ARG 40 HG1 ARG 40 -0.630 -36.338 -6.489 323 2HG ARG 40 HG2 ARG 40 -1.695 -35.553 -5.340 324 1HD ARG 40 HD1 ARG 40 -1.884 -34.475 -7.499 325 2HD ARG 40 HD2 ARG 40 -1.163 -33.354 -6.378 326 HE ARG 40 HE ARG 40 0.328 -34.855 -8.488 327 1HH1 ARG 40 HH12 ARG 40 1.835 -33.862 -9.501 328 2HH1 ARG 40 HH11 ARG 40 2.644 -32.493 -8.757 329 1HH2 ARG 40 HH22 ARG 40 0.584 -32.430 -6.110 330 2HH2 ARG 40 HH21 ARG 40 1.957 -31.688 -6.884 331 H ILE 41 HN ILE 41 2.338 -37.645 -5.112 332 HA ILE 41 HA ILE 41 1.033 -40.055 -5.461 333 HB ILE 41 HB ILE 41 4.049 -39.762 -5.612 334 1HG1 ILE 41 HG11 ILE 41 2.946 -40.234 -8.113 335 2HG1 ILE 41 HG12 ILE 41 1.732 -39.170 -7.385 336 1HG2 ILE 41 HG22 ILE 41 2.310 -41.994 -6.371 337 2HG2 ILE 41 HG23 ILE 41 4.030 -41.623 -6.836 338 3HG2 ILE 41 HG21 ILE 41 3.583 -41.993 -5.134 339 1HD1 ILE 41 HD13 ILE 41 4.634 -38.650 -7.197 340 2HD1 ILE 41 HD11 ILE 41 3.667 -38.013 -8.567 341 3HD1 ILE 41 HD12 ILE 41 3.357 -37.501 -6.900 342 H LYS 42 HN LYS 42 0.100 -40.555 -4.035 343 HA LYS 42 HA LYS 42 0.765 -40.896 -1.211 344 1HB LYS 42 HB1 LYS 42 -1.390 -39.893 -2.424 345 2HB LYS 42 HB2 LYS 42 -1.942 -41.546 -2.390 346 1HG LYS 42 HG1 LYS 42 -2.882 -40.647 -0.446 347 2HG LYS 42 HG2 LYS 42 -1.467 -41.481 0.158 348 1HD LYS 42 HD1 LYS 42 -1.392 -39.429 1.286 349 2HD LYS 42 HD2 LYS 42 -0.261 -39.178 -0.026 350 1HE LYS 42 HE1 LYS 42 -2.223 -38.107 -1.313 351 2HE LYS 42 HE2 LYS 42 -3.089 -38.131 0.222 352 1HZ LYS 42 HZ3 LYS 42 -1.150 -36.975 1.207 353 2HZ LYS 42 HZ1 LYS 42 -0.413 -36.860 -0.341 354 3HZ LYS 42 HZ2 LYS 42 -1.889 -36.052 -0.009 355 H ILE 43 HN ILE 43 1.153 -43.127 -3.598 356 HA ILE 43 HA ILE 43 -0.649 -45.214 -3.002 357 HB ILE 43 HB ILE 43 1.894 -45.213 -4.631 358 1HG1 ILE 43 HG11 ILE 43 -0.974 -45.185 -5.606 359 2HG1 ILE 43 HG12 ILE 43 -0.093 -43.709 -5.306 360 1HG2 ILE 43 HG21 ILE 43 -0.276 -47.347 -4.581 361 2HG2 ILE 43 HG22 ILE 43 1.058 -47.289 -5.726 362 3HG2 ILE 43 HG23 ILE 43 1.381 -47.561 -4.033 363 1HD1 ILE 43 HD11 ILE 43 1.601 -44.371 -7.010 364 2HD1 ILE 43 HD12 ILE 43 0.671 -45.823 -7.358 365 3HD1 ILE 43 HD13 ILE 43 -0.020 -44.243 -7.684 366 H GLY 44 HN GLY 44 2.735 -44.885 -1.853 367 1HA GLY 44 HA1 GLY 44 2.083 -46.285 0.519 368 2HA GLY 44 HA2 GLY 44 2.919 -47.386 -0.552 369 HA PRO 45 HA PRO 45 5.912 -44.678 2.104 370 1HB PRO 45 HB1 PRO 45 6.935 -46.619 3.756 371 2HB PRO 45 HB2 PRO 45 5.549 -45.593 4.149 372 1HG PRO 45 HG1 PRO 45 5.537 -48.401 2.998 373 2HG PRO 45 HG2 PRO 45 4.597 -47.745 4.346 374 1HD PRO 45 HD1 PRO 45 3.490 -47.932 1.928 375 2HD PRO 45 HD2 PRO 45 3.171 -46.504 2.937 376 H LYS 46 HN LYS 46 6.587 -48.015 1.069 377 HA LYS 46 HA LYS 46 9.232 -47.682 0.184 378 1HB LYS 46 HB1 LYS 46 7.013 -49.623 -0.440 379 2HB LYS 46 HB2 LYS 46 8.467 -49.650 -1.415 380 1HG LYS 46 HG1 LYS 46 9.853 -50.068 0.525 381 2HG LYS 46 HG2 LYS 46 8.475 -49.938 1.603 382 1HD LYS 46 HD1 LYS 46 7.654 -52.018 1.049 383 2HD LYS 46 HD2 LYS 46 8.230 -51.947 -0.598 384 1HE LYS 46 HE1 LYS 46 10.194 -52.254 1.675 385 2HE LYS 46 HE2 LYS 46 9.306 -53.644 1.067 386 1HZ LYS 46 HZ3 LYS 46 10.886 -51.780 -0.697 387 2HZ LYS 46 HZ1 LYS 46 11.494 -53.281 -0.191 388 3HZ LYS 46 HZ2 LYS 46 10.097 -53.190 -1.145 389 H CYS 47 HN CYS 47 6.230 -46.848 -1.431 390 HA CYS 47 HA CYS 47 7.311 -46.321 -4.035 391 1HB CYS 47 HB1 CYS 47 4.898 -46.807 -3.481 392 2HB CYS 47 HB2 CYS 47 4.800 -45.240 -2.747 393 H VAL 48 HN VAL 48 6.065 -43.780 -1.624 394 HA VAL 48 HA VAL 48 7.348 -41.725 -2.485 395 HB VAL 48 HB VAL 48 7.762 -41.928 0.484 396 1HG1 VAL 48 HG12 VAL 48 7.760 -39.784 -0.911 397 2HG1 VAL 48 HG13 VAL 48 6.105 -40.244 -1.368 398 3HG1 VAL 48 HG11 VAL 48 6.465 -39.767 0.300 399 1HG2 VAL 48 HG21 VAL 48 5.921 -43.312 0.393 400 2HG2 VAL 48 HG22 VAL 48 5.510 -41.768 1.152 401 3HG2 VAL 48 HG23 VAL 48 4.962 -42.120 -0.493 402 H LYS 49 HN LYS 49 9.025 -44.008 -0.311 403 HA LYS 49 HA LYS 49 11.569 -42.760 -0.359 404 1HB LYS 49 HB1 LYS 49 10.871 -45.657 0.080 405 2HB LYS 49 HB2 LYS 49 12.508 -45.029 0.225 406 1HG LYS 49 HG1 LYS 49 11.746 -43.433 1.967 407 2HG LYS 49 HG2 LYS 49 10.109 -44.060 1.821 408 1HD LYS 49 HD1 LYS 49 10.891 -46.287 2.548 409 2HD LYS 49 HD2 LYS 49 12.528 -45.660 2.711 410 1HE LYS 49 HE1 LYS 49 11.737 -44.050 4.417 411 2HE LYS 49 HE2 LYS 49 10.101 -44.687 4.253 412 1HZ LYS 49 HZ3 LYS 49 12.497 -46.260 5.021 413 2HZ LYS 49 HZ1 LYS 49 11.285 -45.752 6.089 414 3HZ LYS 49 HZ2 LYS 49 10.928 -46.868 4.867 415 H ALA 50 HN ALA 50 10.607 -45.494 -2.538 416 HA ALA 50 HA ALA 50 12.788 -45.532 -4.326 417 1HB ALA 50 HB2 ALA 50 10.814 -47.092 -4.268 418 2HB ALA 50 HB3 ALA 50 9.824 -45.840 -4.960 419 3HB ALA 50 HB1 ALA 50 11.145 -46.543 -5.889 420 H PHE 51 HN PHE 51 9.811 -43.571 -4.546 421 HA PHE 51 HA PHE 51 10.343 -42.045 -6.818 422 1HB PHE 51 HB1 PHE 51 8.215 -42.308 -5.336 423 2HB PHE 51 HB2 PHE 51 8.860 -41.011 -4.371 424 HD1 PHE 51 HD1 PHE 51 9.557 -38.790 -5.866 425 HD2 PHE 51 HD2 PHE 51 6.593 -41.648 -6.910 426 HE1 PHE 51 HE1 PHE 51 8.657 -37.275 -7.549 427 HE2 PHE 51 HE2 PHE 51 5.685 -40.178 -8.487 428 HZ PHE 51 HZ PHE 51 6.780 -37.977 -8.970 429 H LYS 52 HN LYS 52 10.857 -40.937 -3.402 430 HA LYS 52 HA LYS 52 12.057 -38.493 -4.113 431 1HB LYS 52 HB1 LYS 52 11.033 -38.805 -1.968 432 2HB LYS 52 HB2 LYS 52 12.125 -40.105 -1.556 433 1HG LYS 52 HG1 LYS 52 13.977 -38.599 -1.264 434 2HG LYS 52 HG2 LYS 52 13.101 -37.275 -2.018 435 1HD LYS 52 HD1 LYS 52 11.618 -37.077 -0.143 436 2HD LYS 52 HD2 LYS 52 12.166 -38.587 0.543 437 1HE LYS 52 HE1 LYS 52 13.017 -36.670 1.793 438 2HE LYS 52 HE2 LYS 52 14.320 -37.621 1.099 439 1HZ LYS 52 HZ3 LYS 52 13.247 -35.042 -0.103 440 2HZ LYS 52 HZ1 LYS 52 14.681 -35.239 0.772 441 3HZ LYS 52 HZ2 LYS 52 14.496 -36.035 -0.688 442 H ASP 53 HN ASP 53 13.632 -41.676 -3.485 443 HA ASP 53 HA ASP 53 16.264 -40.514 -3.580 444 1HB ASP 53 HB1 ASP 53 15.313 -43.386 -3.661 445 2HB ASP 53 HB2 ASP 53 17.008 -42.915 -3.637 446 H CYS 54 HN CYS 54 14.523 -42.498 -6.084 447 HA CYS 54 HA CYS 54 16.291 -41.952 -8.188 448 1HB CYS 54 HB1 CYS 54 13.397 -42.631 -7.992 449 2HB CYS 54 HB2 CYS 54 13.995 -42.097 -9.533 450 H CYS 55 HN CYS 55 13.559 -39.851 -7.095 451 HA CYS 55 HA CYS 55 13.818 -37.871 -9.081 452 1HB CYS 55 HB1 CYS 55 11.940 -38.213 -7.439 453 2HB CYS 55 HB2 CYS 55 12.933 -37.455 -6.227 454 OH TYR 56 OH TYR 56 15.164 -33.100 -1.344 455 H TYR 56 HN TYR 56 15.448 -37.995 -5.866 456 HA TYR 56 HA TYR 56 17.010 -35.677 -6.293 457 1HB TYR 56 HB1 TYR 56 17.248 -37.996 -4.429 458 2HB TYR 56 HB2 TYR 56 18.641 -36.942 -4.631 459 HD1 TYR 56 HD1 TYR 56 18.747 -35.034 -3.244 460 HD2 TYR 56 HD2 TYR 56 14.909 -36.643 -4.094 461 HE1 TYR 56 HE1 TYR 56 17.692 -33.325 -1.807 462 HE2 TYR 56 HE2 TYR 56 13.874 -34.878 -2.742 463 HH TYR 56 HH TYR 56 14.200 -33.214 -1.312 464 H ILE 57 HN ILE 57 17.878 -39.090 -7.152 465 HA ILE 57 HA ILE 57 20.259 -38.381 -8.506 466 HB ILE 57 HB ILE 57 18.366 -40.619 -9.203 467 1HG1 ILE 57 HG11 ILE 57 18.934 -41.044 -7.012 468 2HG1 ILE 57 HG12 ILE 57 20.033 -42.045 -7.933 469 1HG2 ILE 57 HG23 ILE 57 21.291 -40.366 -9.969 470 2HG2 ILE 57 HG21 ILE 57 20.306 -41.809 -10.185 471 3HG2 ILE 57 HG22 ILE 57 19.919 -40.346 -11.069 472 1HD1 ILE 57 HD11 ILE 57 21.843 -40.367 -7.546 473 2HD1 ILE 57 HD12 ILE 57 20.705 -39.434 -6.572 474 3HD1 ILE 57 HD13 ILE 57 21.203 -41.039 -6.041 475 H ALA 58 HN ALA 58 17.033 -38.483 -9.852 476 HA ALA 58 HA ALA 58 17.463 -37.479 -12.460 477 1HB ALA 58 HB3 ALA 58 15.301 -38.201 -11.692 478 2HB ALA 58 HB1 ALA 58 15.168 -36.786 -10.653 479 3HB ALA 58 HB2 ALA 58 15.228 -36.599 -12.406 480 H ASN 59 HN ASN 59 16.891 -35.430 -9.565 481 HA ASN 59 HA ASN 59 17.570 -32.957 -10.795 482 1HB ASN 59 HB1 ASN 59 17.511 -33.776 -7.880 483 2HB ASN 59 HB2 ASN 59 17.912 -32.146 -8.398 484 1HD2 ASN 59 HD21 ASN 59 14.041 -33.314 -8.696 485 2HD2 ASN 59 HD22 ASN 59 15.227 -34.575 -8.523 486 H GLN 60 HN GLN 60 19.735 -35.154 -8.900 487 HA GLN 60 HA GLN 60 22.068 -33.621 -9.350 488 1HB GLN 60 HB1 GLN 60 21.579 -36.443 -8.537 489 2HB GLN 60 HB2 GLN 60 23.181 -36.029 -9.103 490 1HG GLN 60 HG1 GLN 60 23.278 -35.815 -6.753 491 2HG GLN 60 HG2 GLN 60 23.238 -34.176 -7.352 492 1HE2 GLN 60 HE21 GLN 60 19.998 -33.611 -5.846 493 2HE2 GLN 60 HE22 GLN 60 20.933 -33.094 -7.216 494 H VAL 61 HN VAL 61 20.829 -36.310 -11.456 495 HA VAL 61 HA VAL 61 22.852 -36.057 -13.413 496 HB VAL 61 HB VAL 61 20.025 -37.095 -13.583 497 1HG1 VAL 61 HG11 VAL 61 22.143 -37.360 -15.755 498 2HG1 VAL 61 HG12 VAL 61 20.605 -38.217 -15.713 499 3HG1 VAL 61 HG13 VAL 61 20.631 -36.475 -15.915 500 1HG2 VAL 61 HG23 VAL 61 22.737 -38.477 -13.554 501 2HG2 VAL 61 HG21 VAL 61 21.588 -38.410 -12.222 502 3HG2 VAL 61 HG22 VAL 61 21.182 -39.294 -13.685 503 NH1 ARG 62 NH1 ARG 62 13.856 -32.467 -16.520 504 NH2 ARG 62 NH2 ARG 62 15.195 -30.809 -16.002 505 H ARG 62 HN ARG 62 19.767 -34.198 -13.231 506 HA ARG 62 HA ARG 62 20.235 -32.593 -15.493 507 1HB ARG 62 HB1 ARG 62 18.873 -31.876 -12.886 508 2HB ARG 62 HB2 ARG 62 18.839 -30.859 -14.306 509 1HG ARG 62 HG1 ARG 62 17.656 -33.645 -14.119 510 2HG ARG 62 HG2 ARG 62 16.760 -32.153 -14.003 511 1HD ARG 62 HD1 ARG 62 17.722 -31.670 -16.416 512 2HD ARG 62 HD2 ARG 62 18.061 -33.387 -16.424 513 HE ARG 62 HE ARG 62 15.737 -33.821 -16.501 514 1HH1 ARG 62 HH12 ARG 62 13.698 -33.419 -16.725 515 2HH1 ARG 62 HH11 ARG 62 13.087 -31.804 -16.505 516 1HH2 ARG 62 HH22 ARG 62 16.107 -30.495 -15.807 517 2HH2 ARG 62 HH21 ARG 62 14.398 -30.173 -15.990 518 H ALA 63 HN ALA 63 21.517 -32.075 -12.193 519 HA ALA 63 HA ALA 63 22.995 -29.721 -12.934 520 1HB ALA 63 HB3 ALA 63 22.266 -30.105 -10.634 521 2HB ALA 63 HB1 ALA 63 23.245 -31.566 -10.535 522 3HB ALA 63 HB2 ALA 63 24.022 -29.990 -10.691 523 H GLU 64 HN GLU 64 24.059 -33.144 -12.457 524 HA GLU 64 HA GLU 64 26.804 -32.533 -13.108 525 1HB GLU 64 HB1 GLU 64 25.365 -35.165 -12.745 526 2HB GLU 64 HB2 GLU 64 27.097 -35.012 -12.962 527 1HG GLU 64 HG1 GLU 64 27.287 -33.738 -10.842 528 2HG GLU 64 HG2 GLU 64 25.538 -33.758 -10.652 529 H GLN 65 HN GLN 65 25.841 -31.486 -15.204 530 HA GLN 65 HA GLN 65 26.122 -33.407 -17.447 531 1HB GLN 65 HB1 GLN 65 24.887 -30.645 -17.348 532 2HB GLN 65 HB2 GLN 65 25.178 -31.510 -18.845 533 1HG GLN 65 HG1 GLN 65 23.673 -33.346 -18.095 534 2HG GLN 65 HG2 GLN 65 23.360 -32.493 -16.595 535 1HE2 GLN 65 HE21 GLN 65 21.025 -30.326 -18.159 536 2HE2 GLN 65 HE22 GLN 65 21.847 -30.684 -16.660 Start of MODEL 18 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 19.136 -41.562 0.424 2 2H MET 1 HT2 MET 1 19.855 -40.061 0.051 3 3H MET 1 HT1 MET 1 20.589 -41.501 -0.457 4 HA MET 1 HA MET 1 21.791 -40.683 1.401 5 1HB MET 1 HB1 MET 1 19.054 -40.561 2.685 6 2HB MET 1 HB2 MET 1 20.538 -40.491 3.613 7 1HG MET 1 HG1 MET 1 21.207 -38.434 2.407 8 2HG MET 1 HG2 MET 1 19.732 -38.500 1.463 9 1HE MET 1 HE1 MET 1 21.100 -38.331 5.187 10 2HE MET 1 HE2 MET 1 21.362 -36.789 4.342 11 3HE MET 1 HE3 MET 1 20.230 -36.890 5.680 12 H LEU 2 HN LEU 2 19.102 -43.029 1.905 13 HA LEU 2 HA LEU 2 20.910 -44.757 3.421 14 1HB LEU 2 HB1 LEU 2 17.941 -44.954 3.008 15 2HB LEU 2 HB2 LEU 2 18.891 -46.167 3.828 16 HG LEU 2 HG LEU 2 19.646 -44.053 5.302 17 1HD1 LEU 2 HD13 LEU 2 16.846 -43.299 4.411 18 2HD1 LEU 2 HD11 LEU 2 17.740 -42.550 5.732 19 3HD1 LEU 2 HD12 LEU 2 18.311 -42.388 4.079 20 1HD2 LEU 2 HD22 LEU 2 18.625 -46.096 6.191 21 2HD2 LEU 2 HD23 LEU 2 17.904 -44.674 6.933 22 3HD2 LEU 2 HD21 LEU 2 17.033 -45.545 5.674 23 H GLN 3 HN GLN 3 22.224 -45.629 2.150 24 HA GLN 3 HA GLN 3 22.041 -46.805 -0.329 25 1HB GLN 3 HB1 GLN 3 24.119 -46.350 0.967 26 2HB GLN 3 HB2 GLN 3 23.775 -47.734 1.987 27 1HG GLN 3 HG1 GLN 3 23.941 -49.221 -0.062 28 2HG GLN 3 HG2 GLN 3 24.327 -47.799 -1.014 29 1HE2 GLN 3 HE21 GLN 3 27.205 -49.364 1.343 30 2HE2 GLN 3 HE22 GLN 3 25.577 -49.930 1.550 31 H LYS 4 HN LYS 4 21.589 -48.564 2.774 32 HA LYS 4 HA LYS 4 20.705 -50.955 1.569 33 1HB LYS 4 HB1 LYS 4 20.703 -49.959 4.372 34 2HB LYS 4 HB2 LYS 4 19.683 -51.328 3.967 35 1HG LYS 4 HG1 LYS 4 21.838 -52.267 2.774 36 2HG LYS 4 HG2 LYS 4 22.686 -51.104 3.774 37 1HD LYS 4 HD1 LYS 4 22.172 -52.206 5.750 38 2HD LYS 4 HD2 LYS 4 20.707 -52.927 5.113 39 1HE LYS 4 HE1 LYS 4 23.484 -53.751 4.235 40 2HE LYS 4 HE2 LYS 4 22.584 -54.543 5.524 41 1HZ LYS 4 HZ3 LYS 4 20.719 -54.902 3.903 42 2HZ LYS 4 HZ1 LYS 4 21.722 -54.301 2.631 43 3HZ LYS 4 HZ2 LYS 4 22.158 -55.699 3.476 44 H LYS 5 HN LYS 5 18.827 -48.050 1.811 45 HA LYS 5 HA LYS 5 16.384 -49.596 1.442 46 1HB LYS 5 HB1 LYS 5 16.731 -46.626 1.531 47 2HB LYS 5 HB2 LYS 5 15.215 -47.461 1.260 48 1HG LYS 5 HG1 LYS 5 16.930 -47.940 3.720 49 2HG LYS 5 HG2 LYS 5 15.694 -46.715 3.652 50 1HD LYS 5 HD1 LYS 5 14.272 -48.242 4.443 51 2HD LYS 5 HD2 LYS 5 14.312 -48.999 2.877 52 1HE LYS 5 HE1 LYS 5 16.318 -49.785 4.983 53 2HE LYS 5 HE2 LYS 5 14.680 -50.412 5.037 54 1HZ LYS 5 HZ3 LYS 5 15.073 -51.017 2.544 55 2HZ LYS 5 HZ1 LYS 5 16.730 -50.857 2.894 56 3HZ LYS 5 HZ2 LYS 5 15.816 -51.968 3.761 57 H ILE 6 HN ILE 6 18.358 -47.467 -0.743 58 HA ILE 6 HA ILE 6 16.858 -48.588 -2.935 59 HB ILE 6 HB ILE 6 19.099 -48.103 -4.320 60 1HG1 ILE 6 HG11 ILE 6 19.504 -45.578 -3.701 61 2HG1 ILE 6 HG12 ILE 6 19.246 -46.184 -2.083 62 1HG2 ILE 6 HG22 ILE 6 16.707 -46.336 -4.008 63 2HG2 ILE 6 HG23 ILE 6 17.909 -46.179 -5.269 64 3HG2 ILE 6 HG21 ILE 6 16.918 -47.608 -5.185 65 1HD1 ILE 6 HD11 ILE 6 21.286 -47.272 -4.057 66 2HD1 ILE 6 HD12 ILE 6 21.635 -46.241 -2.676 67 3HD1 ILE 6 HD13 ILE 6 21.032 -47.876 -2.421 68 H GLU 7 HN GLU 7 19.883 -49.778 -1.400 69 HA GLU 7 HA GLU 7 20.171 -51.982 -3.157 70 1HB GLU 7 HB1 GLU 7 21.972 -51.253 -1.746 71 2HB GLU 7 HB2 GLU 7 21.083 -51.631 -0.308 72 1HG GLU 7 HG1 GLU 7 21.752 -53.877 -2.216 73 2HG GLU 7 HG2 GLU 7 23.013 -53.230 -1.192 74 H GLU 8 HN GLU 8 18.474 -52.189 0.167 75 HA GLU 8 HA GLU 8 17.728 -54.836 -0.662 76 1HB GLU 8 HB1 GLU 8 17.076 -53.219 1.799 77 2HB GLU 8 HB2 GLU 8 16.267 -54.757 1.491 78 1HG GLU 8 HG1 GLU 8 18.650 -55.750 1.168 79 2HG GLU 8 HG2 GLU 8 19.243 -54.262 1.861 80 H GLU 9 HN GLU 9 15.907 -51.767 -1.051 81 HA GLU 9 HA GLU 9 13.577 -53.344 -1.816 82 1HB GLU 9 HB1 GLU 9 14.154 -50.418 -1.633 83 2HB GLU 9 HB2 GLU 9 12.793 -50.973 -2.590 84 1HG GLU 9 HG1 GLU 9 12.135 -50.376 -0.249 85 2HG GLU 9 HG2 GLU 9 11.765 -52.038 -0.639 86 H ALA 10 HN ALA 10 15.784 -51.194 -3.801 87 HA ALA 10 HA ALA 10 14.806 -52.552 -6.168 88 1HB ALA 10 HB1 ALA 10 16.974 -50.484 -5.767 89 2HB ALA 10 HB2 ALA 10 16.424 -51.070 -7.337 90 3HB ALA 10 HB3 ALA 10 15.303 -50.207 -6.279 91 H ALA 11 HN ALA 11 17.538 -53.713 -4.141 92 HA ALA 11 HA ALA 11 18.188 -55.525 -6.297 93 1HB ALA 11 HB2 ALA 11 18.685 -55.759 -3.305 94 2HB ALA 11 HB3 ALA 11 19.329 -56.874 -4.530 95 3HB ALA 11 HB1 ALA 11 19.815 -55.181 -4.522 96 H LYS 12 HN LYS 12 16.238 -55.970 -3.326 97 HA LYS 12 HA LYS 12 15.254 -58.530 -4.251 98 1HB LYS 12 HB1 LYS 12 14.908 -56.979 -1.713 99 2HB LYS 12 HB2 LYS 12 13.902 -58.366 -2.054 100 1HG LYS 12 HG1 LYS 12 15.908 -59.810 -2.264 101 2HG LYS 12 HG2 LYS 12 16.944 -58.431 -1.948 102 1HD LYS 12 HD1 LYS 12 14.813 -59.289 0.031 103 2HD LYS 12 HD2 LYS 12 16.400 -60.034 0.024 104 1HE LYS 12 HE1 LYS 12 17.487 -57.991 0.555 105 2HE LYS 12 HE2 LYS 12 16.050 -57.036 0.217 106 1HZ LYS 12 HZ1 LYS 12 16.281 -59.047 2.378 107 2HZ LYS 12 HZ2 LYS 12 16.382 -57.370 2.633 108 3HZ LYS 12 HZ3 LYS 12 14.888 -58.108 2.084 109 OH TYR 13 OH TYR 13 14.792 -53.177 -11.241 110 H TYR 13 HN TYR 13 14.523 -57.396 -6.110 111 HA TYR 13 HA TYR 13 12.170 -56.084 -6.579 112 1HB TYR 13 HB1 TYR 13 13.653 -58.284 -7.978 113 2HB TYR 13 HB2 TYR 13 12.056 -57.896 -8.563 114 HD1 TYR 13 HD1 TYR 13 14.413 -55.164 -7.256 115 HD2 TYR 13 HD2 TYR 13 12.746 -57.124 -10.680 116 HE1 TYR 13 HE1 TYR 13 15.243 -53.423 -8.694 117 HE2 TYR 13 HE2 TYR 13 13.558 -55.277 -12.088 118 HH TYR 13 HH TYR 13 15.078 -52.424 -10.671 119 H LYS 14 HN LYS 14 12.223 -59.200 -5.068 120 HA LYS 14 HA LYS 14 9.506 -59.900 -5.202 121 1HB LYS 14 HB1 LYS 14 11.461 -60.165 -2.885 122 2HB LYS 14 HB2 LYS 14 9.924 -60.989 -2.992 123 1HG LYS 14 HG1 LYS 14 12.208 -61.410 -4.953 124 2HG LYS 14 HG2 LYS 14 11.896 -62.420 -3.558 125 1HD LYS 14 HD1 LYS 14 9.676 -63.023 -4.492 126 2HD LYS 14 HD2 LYS 14 10.006 -62.035 -5.908 127 1HE LYS 14 HE1 LYS 14 11.972 -63.435 -6.438 128 2HE LYS 14 HE2 LYS 14 11.626 -64.442 -5.031 129 1HZ LYS 14 HZ3 LYS 14 9.440 -64.902 -5.946 130 2HZ LYS 14 HZ1 LYS 14 9.772 -63.939 -7.293 131 3HZ LYS 14 HZ2 LYS 14 10.637 -65.373 -7.047 132 OH TYR 15 OH TYR 15 13.367 -58.243 2.243 133 H TYR 15 HN TYR 15 10.998 -57.237 -3.304 134 HA TYR 15 HA TYR 15 8.475 -56.640 -1.951 135 1HB TYR 15 HB1 TYR 15 10.933 -54.898 -2.221 136 2HB TYR 15 HB2 TYR 15 9.631 -54.686 -1.077 137 HD1 TYR 15 HD1 TYR 15 12.582 -54.810 -0.495 138 HD2 TYR 15 HD2 TYR 15 9.654 -57.882 -0.327 139 HE1 TYR 15 HE1 TYR 15 13.927 -55.988 1.153 140 HE2 TYR 15 HE2 TYR 15 11.011 -59.059 1.343 141 HH TYR 15 HH TYR 15 12.900 -59.028 2.551 142 H ALA 16 HN ALA 16 7.487 -56.808 -4.113 143 HA ALA 16 HA ALA 16 8.282 -55.510 -6.396 144 1HB ALA 16 HB2 ALA 16 5.544 -56.600 -5.696 145 2HB ALA 16 HB3 ALA 16 6.084 -56.219 -7.329 146 3HB ALA 16 HB1 ALA 16 6.897 -57.474 -6.405 147 H MET 17 HN MET 17 5.442 -54.454 -4.536 148 HA MET 17 HA MET 17 4.937 -52.086 -6.044 149 1HB MET 17 HB1 MET 17 3.253 -53.348 -4.721 150 2HB MET 17 HB2 MET 17 4.051 -52.864 -3.244 151 1HG MET 17 HG1 MET 17 2.082 -51.515 -3.537 152 2HG MET 17 HG2 MET 17 3.473 -50.480 -3.740 153 1HE MET 17 HE3 MET 17 4.045 -49.150 -5.761 154 2HE MET 17 HE1 MET 17 2.813 -48.733 -6.934 155 3HE MET 17 HE2 MET 17 2.517 -48.422 -5.228 156 H LEU 18 HN LEU 18 7.001 -52.701 -3.275 157 HA LEU 18 HA LEU 18 7.291 -49.898 -2.551 158 1HB LEU 18 HB1 LEU 18 8.763 -52.341 -1.510 159 2HB LEU 18 HB2 LEU 18 8.769 -50.741 -0.789 160 HG LEU 18 HG LEU 18 6.324 -52.526 -1.058 161 1HD1 LEU 18 HD11 LEU 18 7.984 -51.858 1.379 162 2HD1 LEU 18 HD12 LEU 18 6.479 -52.771 1.384 163 3HD1 LEU 18 HD13 LEU 18 7.899 -53.420 0.574 164 1HD2 LEU 18 HD21 LEU 18 6.646 -49.860 0.339 165 2HD2 LEU 18 HD22 LEU 18 5.695 -50.151 -1.110 166 3HD2 LEU 18 HD23 LEU 18 5.208 -50.883 0.418 167 H LYS 19 HN LYS 19 9.405 -52.365 -4.032 168 HA LYS 19 HA LYS 19 11.356 -50.543 -4.942 169 1HB LYS 19 HB1 LYS 19 11.743 -52.918 -5.077 170 2HB LYS 19 HB2 LYS 19 10.218 -53.233 -5.848 171 1HG LYS 19 HG1 LYS 19 12.369 -51.758 -7.354 172 2HG LYS 19 HG2 LYS 19 12.494 -53.481 -7.125 173 1HD LYS 19 HD1 LYS 19 10.194 -52.092 -8.541 174 2HD LYS 19 HD2 LYS 19 11.556 -52.832 -9.322 175 1HE LYS 19 HE1 LYS 19 10.628 -54.838 -9.324 176 2HE LYS 19 HE2 LYS 19 10.325 -54.795 -7.598 177 1HZ LYS 19 HZ1 LYS 19 8.658 -53.376 -9.594 178 2HZ LYS 19 HZ2 LYS 19 8.289 -54.910 -8.986 179 3HZ LYS 19 HZ3 LYS 19 8.289 -53.574 -7.935 180 H LYS 20 HN LYS 20 8.165 -51.381 -6.531 181 HA LYS 20 HA LYS 20 8.615 -49.605 -8.705 182 1HB LYS 20 HB1 LYS 20 6.783 -51.464 -8.338 183 2HB LYS 20 HB2 LYS 20 5.844 -50.176 -7.625 184 1HG LYS 20 HG1 LYS 20 7.049 -49.623 -10.311 185 2HG LYS 20 HG2 LYS 20 5.777 -50.812 -10.256 186 1HD LYS 20 HD1 LYS 20 4.143 -49.282 -9.596 187 2HD LYS 20 HD2 LYS 20 5.301 -48.125 -8.974 188 1HE LYS 20 HE1 LYS 20 5.264 -48.803 -11.923 189 2HE LYS 20 HE2 LYS 20 4.119 -47.644 -11.250 190 1HZ LYS 20 HZ2 LYS 20 6.997 -47.472 -10.633 191 2HZ LYS 20 HZ3 LYS 20 6.410 -46.676 -12.034 192 3HZ LYS 20 HZ1 LYS 20 5.849 -46.256 -10.426 193 H CYS 21 HN CYS 21 7.184 -48.908 -5.413 194 HA CYS 21 HA CYS 21 6.813 -46.170 -5.738 195 1HB CYS 21 HB1 CYS 21 6.216 -47.713 -3.826 196 2HB CYS 21 HB2 CYS 21 7.865 -47.528 -3.258 197 H CYS 22 HN CYS 22 9.916 -47.734 -4.690 198 HA CYS 22 HA CYS 22 11.856 -45.726 -5.080 199 1HB CYS 22 HB1 CYS 22 12.035 -48.297 -4.706 200 2HB CYS 22 HB2 CYS 22 12.303 -48.269 -6.402 201 OH TYR 23 OH TYR 23 15.255 -51.033 -9.802 202 H TYR 23 HN TYR 23 10.493 -47.553 -7.697 203 HA TYR 23 HA TYR 23 11.788 -45.815 -9.529 204 1HB TYR 23 HB1 TYR 23 9.865 -48.031 -9.950 205 2HB TYR 23 HB2 TYR 23 10.826 -47.252 -11.196 206 HD1 TYR 23 HD1 TYR 23 13.135 -47.441 -8.141 207 HD2 TYR 23 HD2 TYR 23 11.088 -49.918 -11.022 208 HE1 TYR 23 HE1 TYR 23 15.047 -48.827 -8.358 209 HE2 TYR 23 HE2 TYR 23 13.088 -51.387 -11.114 210 HH TYR 23 HH TYR 23 15.969 -50.645 -9.289 211 H ASP 24 HN ASP 24 8.463 -45.703 -8.346 212 HA ASP 24 HA ASP 24 7.596 -43.407 -9.716 213 1HB ASP 24 HB1 ASP 24 7.082 -43.976 -6.788 214 2HB ASP 24 HB2 ASP 24 6.251 -42.814 -7.790 215 H GLY 25 HN GLY 25 9.714 -43.424 -6.832 216 1HA GLY 25 HA1 GLY 25 10.399 -40.665 -6.935 217 2HA GLY 25 HA2 GLY 25 11.410 -41.919 -6.257 218 H ALA 26 HN ALA 26 12.034 -43.381 -8.497 219 HA ALA 26 HA ALA 26 14.068 -41.908 -9.771 220 1HB ALA 26 HB1 ALA 26 14.226 -44.321 -9.526 221 2HB ALA 26 HB2 ALA 26 12.909 -44.533 -10.683 222 3HB ALA 26 HB3 ALA 26 14.433 -43.843 -11.207 223 OH TYR 27 OH TYR 27 7.022 -46.162 -13.262 224 H TYR 27 HN TYR 27 10.724 -42.418 -11.077 225 HA TYR 27 HA TYR 27 11.167 -40.945 -13.445 226 1HB TYR 27 HB1 TYR 27 8.717 -40.550 -11.729 227 2HB TYR 27 HB2 TYR 27 8.850 -40.292 -13.450 228 HD1 TYR 27 HD1 TYR 27 6.862 -41.954 -11.764 229 HD2 TYR 27 HD2 TYR 27 10.208 -43.089 -14.129 230 HE1 TYR 27 HE1 TYR 27 5.927 -44.209 -12.014 231 HE2 TYR 27 HE2 TYR 27 9.262 -45.327 -14.378 232 HH TYR 27 HH TYR 27 7.551 -46.674 -13.885 233 NH1 ARG 28 NH1 ARG 28 12.335 -33.064 -9.838 234 NH2 ARG 28 NH2 ARG 28 14.011 -33.770 -8.625 235 H ARG 28 HN ARG 28 12.894 -39.478 -12.717 236 HA ARG 28 HA ARG 28 12.532 -37.188 -11.202 237 1HB ARG 28 HB1 ARG 28 14.656 -38.068 -12.193 238 2HB ARG 28 HB2 ARG 28 14.145 -37.461 -13.740 239 1HG ARG 28 HG1 ARG 28 15.840 -36.040 -12.689 240 2HG ARG 28 HG2 ARG 28 14.372 -35.173 -13.037 241 1HD ARG 28 HD1 ARG 28 14.574 -36.245 -10.257 242 2HD ARG 28 HD2 ARG 28 15.754 -35.017 -10.664 243 HE ARG 28 HE ARG 28 13.229 -34.094 -11.613 244 1HH1 ARG 28 HH12 ARG 28 11.940 -33.029 -10.755 245 2HH1 ARG 28 HH11 ARG 28 11.939 -32.544 -9.053 246 1HH2 ARG 28 HH22 ARG 28 14.911 -34.220 -8.546 247 2HH2 ARG 28 HH21 ARG 28 13.609 -33.275 -7.870 248 H ASN 29 HN ASN 29 10.802 -35.956 -11.321 249 HA ASN 29 HA ASN 29 9.560 -34.874 -13.644 250 1HB ASN 29 HB1 ASN 29 8.391 -35.051 -11.508 251 2HB ASN 29 HB2 ASN 29 9.582 -34.051 -10.707 252 1HD2 ASN 29 HD21 ASN 29 6.258 -33.077 -11.752 253 2HD2 ASN 29 HD22 ASN 29 6.881 -33.063 -13.385 254 H ASP 30 HN ASP 30 9.634 -32.773 -14.455 255 HA ASP 30 HA ASP 30 12.020 -31.463 -14.945 256 1HB ASP 30 HB1 ASP 30 10.423 -29.540 -15.655 257 2HB ASP 30 HB2 ASP 30 10.222 -31.099 -16.437 258 H ASP 31 HN ASP 31 9.685 -30.486 -12.369 259 HA ASP 31 HA ASP 31 11.720 -28.581 -11.374 260 1HB ASP 31 HB1 ASP 31 8.912 -27.886 -12.266 261 2HB ASP 31 HB2 ASP 31 9.762 -26.885 -11.093 262 H GLU 32 HN GLU 32 9.093 -30.741 -10.439 263 HA GLU 32 HA GLU 32 8.677 -29.660 -7.811 264 1HB GLU 32 HB1 GLU 32 8.092 -32.402 -8.949 265 2HB GLU 32 HB2 GLU 32 7.555 -31.843 -7.374 266 1HG GLU 32 HG1 GLU 32 6.161 -30.097 -8.403 267 2HG GLU 32 HG2 GLU 32 6.736 -30.542 -10.007 268 H THR 33 HN THR 33 9.144 -30.735 -5.760 269 HA THR 33 HA THR 33 11.747 -32.156 -5.823 270 HB THR 33 HB THR 33 12.024 -30.055 -4.765 271 HG1 THR 33 HG1 THR 33 12.936 -30.949 -2.814 272 1HG2 THR 33 HG23 THR 33 9.828 -29.698 -3.661 273 2HG2 THR 33 HG21 THR 33 10.201 -31.021 -2.552 274 3HG2 THR 33 HG22 THR 33 11.177 -29.560 -2.537 275 H CYS 34 HN CYS 34 12.158 -33.539 -3.917 276 HA CYS 34 HA CYS 34 10.683 -35.881 -4.568 277 1HB CYS 34 HB1 CYS 34 12.799 -35.466 -2.430 278 2HB CYS 34 HB2 CYS 34 12.225 -37.020 -2.988 279 H GLU 35 HN GLU 35 11.061 -34.319 -1.429 280 HA GLU 35 HA GLU 35 9.165 -36.015 -0.090 281 1HB GLU 35 HB1 GLU 35 11.232 -35.003 0.900 282 2HB GLU 35 HB2 GLU 35 10.481 -33.421 0.816 283 1HG GLU 35 HG1 GLU 35 8.851 -33.997 2.500 284 2HG GLU 35 HG2 GLU 35 9.245 -35.705 2.407 285 H GLU 36 HN GLU 36 8.748 -33.074 -1.876 286 HA GLU 36 HA GLU 36 6.129 -32.350 -0.889 287 1HB GLU 36 HB1 GLU 36 7.611 -30.792 -1.995 288 2HB GLU 36 HB2 GLU 36 7.748 -31.821 -3.401 289 1HG GLU 36 HG1 GLU 36 5.246 -31.292 -3.846 290 2HG GLU 36 HG2 GLU 36 5.409 -30.060 -2.615 291 NH1 ARG 37 NH1 ARG 37 10.401 -37.645 -8.169 292 NH2 ARG 37 NH2 ARG 37 8.776 -37.472 -9.606 293 H ARG 37 HN ARG 37 7.258 -34.021 -3.834 294 HA ARG 37 HA ARG 37 4.835 -35.180 -4.682 295 1HB ARG 37 HB1 ARG 37 7.643 -36.275 -4.919 296 2HB ARG 37 HB2 ARG 37 6.244 -36.946 -5.730 297 1HG ARG 37 HG1 ARG 37 5.969 -34.527 -6.722 298 2HG ARG 37 HG2 ARG 37 7.649 -34.332 -6.239 299 1HD ARG 37 HD1 ARG 37 6.596 -36.531 -8.029 300 2HD ARG 37 HD2 ARG 37 7.373 -35.058 -8.601 301 HE ARG 37 HE ARG 37 9.143 -36.245 -6.772 302 1HH1 ARG 37 HH12 ARG 37 10.834 -37.408 -7.313 303 2HH1 ARG 37 HH11 ARG 37 10.837 -38.266 -8.815 304 1HH2 ARG 37 HH22 ARG 37 7.876 -37.147 -9.841 305 2HH2 ARG 37 HH21 ARG 37 9.334 -38.043 -10.245 306 H ALA 38 HN ALA 38 7.295 -36.680 -2.491 307 HA ALA 38 HA ALA 38 5.323 -38.690 -1.822 308 1HB ALA 38 HB2 ALA 38 8.220 -38.482 -1.266 309 2HB ALA 38 HB3 ALA 38 7.163 -39.808 -0.723 310 3HB ALA 38 HB1 ALA 38 7.277 -39.451 -2.452 311 H ALA 39 HN ALA 39 5.790 -35.626 -0.192 312 HA ALA 39 HA ALA 39 4.154 -36.505 1.930 313 1HB ALA 39 HB1 ALA 39 5.024 -34.211 1.780 314 2HB ALA 39 HB2 ALA 39 4.026 -33.902 0.364 315 3HB ALA 39 HB3 ALA 39 3.268 -34.193 1.931 316 NH1 ARG 40 NH1 ARG 40 4.079 -32.840 -5.707 317 NH2 ARG 40 NH2 ARG 40 2.174 -32.860 -6.695 318 H ARG 40 HN ARG 40 3.231 -35.662 -1.453 319 HA ARG 40 HA ARG 40 0.523 -36.526 -1.108 320 1HB ARG 40 HB1 ARG 40 2.215 -36.173 -3.574 321 2HB ARG 40 HB2 ARG 40 0.529 -36.658 -3.651 322 1HG ARG 40 HG1 ARG 40 -0.203 -34.596 -2.621 323 2HG ARG 40 HG2 ARG 40 1.438 -34.133 -2.217 324 1HD ARG 40 HD1 ARG 40 0.552 -34.511 -5.078 325 2HD ARG 40 HD2 ARG 40 0.363 -32.972 -4.233 326 HE ARG 40 HE ARG 40 3.012 -33.721 -3.808 327 1HH1 ARG 40 HH12 ARG 40 4.666 -32.999 -4.931 328 2HH1 ARG 40 HH11 ARG 40 4.397 -32.481 -6.605 329 1HH2 ARG 40 HH22 ARG 40 1.203 -33.036 -6.706 330 2HH2 ARG 40 HH21 ARG 40 2.685 -32.509 -7.479 331 H ILE 41 HN ILE 41 3.193 -38.479 -2.588 332 HA ILE 41 HA ILE 41 1.823 -40.911 -2.369 333 HB ILE 41 HB ILE 41 4.831 -40.674 -2.789 334 1HG1 ILE 41 HG11 ILE 41 3.606 -41.584 -5.101 335 2HG1 ILE 41 HG12 ILE 41 2.430 -40.395 -4.518 336 1HG2 ILE 41 HG23 ILE 41 3.052 -42.989 -3.041 337 2HG2 ILE 41 HG21 ILE 41 4.748 -42.714 -3.646 338 3HG2 ILE 41 HG22 ILE 41 4.380 -42.780 -1.886 339 1HD1 ILE 41 HD11 ILE 41 5.332 -39.844 -4.519 340 2HD1 ILE 41 HD12 ILE 41 4.336 -39.505 -5.981 341 3HD1 ILE 41 HD13 ILE 41 4.039 -38.678 -4.443 342 H LYS 42 HN LYS 42 1.064 -41.110 -0.753 343 HA LYS 42 HA LYS 42 2.112 -41.082 2.002 344 1HB LYS 42 HB1 LYS 42 -0.688 -41.431 0.903 345 2HB LYS 42 HB2 LYS 42 -0.323 -41.474 2.615 346 1HG LYS 42 HG1 LYS 42 0.455 -39.190 2.606 347 2HG LYS 42 HG2 LYS 42 0.341 -39.088 0.868 348 1HD LYS 42 HD1 LYS 42 -2.032 -39.513 2.706 349 2HD LYS 42 HD2 LYS 42 -1.517 -37.952 2.123 350 1HE LYS 42 HE1 LYS 42 -2.504 -40.224 0.361 351 2HE LYS 42 HE2 LYS 42 -3.459 -38.852 0.888 352 1HZ LYS 42 HZ3 LYS 42 -1.799 -37.398 -0.153 353 2HZ LYS 42 HZ1 LYS 42 -0.969 -38.730 -0.814 354 3HZ LYS 42 HZ2 LYS 42 -2.570 -38.397 -1.283 355 H ILE 43 HN ILE 43 2.099 -43.620 -0.128 356 HA ILE 43 HA ILE 43 0.166 -45.396 0.892 357 HB ILE 43 HB ILE 43 2.497 -45.913 -0.933 358 1HG1 ILE 43 HG11 ILE 43 1.129 -44.240 -1.945 359 2HG1 ILE 43 HG12 ILE 43 0.952 -45.736 -2.814 360 1HG2 ILE 43 HG21 ILE 43 0.087 -47.693 -0.546 361 2HG2 ILE 43 HG22 ILE 43 1.263 -47.852 -1.848 362 3HG2 ILE 43 HG23 ILE 43 1.761 -48.085 -0.184 363 1HD1 ILE 43 HD13 ILE 43 -1.279 -46.092 -1.766 364 2HD1 ILE 43 HD11 ILE 43 -1.105 -44.576 -0.889 365 3HD1 ILE 43 HD12 ILE 43 -1.197 -44.573 -2.643 366 H GLY 44 HN GLY 44 3.667 -45.407 1.659 367 1HA GLY 44 HA1 GLY 44 3.079 -46.736 4.122 368 2HA GLY 44 HA2 GLY 44 3.848 -47.843 3.010 369 HA PRO 45 HA PRO 45 7.038 -45.093 5.563 370 1HB PRO 45 HB1 PRO 45 7.509 -47.853 6.740 371 2HB PRO 45 HB2 PRO 45 7.766 -46.254 7.465 372 1HG PRO 45 HG1 PRO 45 5.557 -47.547 8.087 373 2HG PRO 45 HG2 PRO 45 5.414 -45.837 7.626 374 1HD PRO 45 HD1 PRO 45 4.927 -48.304 5.920 375 2HD PRO 45 HD2 PRO 45 3.917 -46.855 6.125 376 H LYS 46 HN LYS 46 7.708 -48.482 4.604 377 HA LYS 46 HA LYS 46 10.265 -47.985 3.515 378 1HB LYS 46 HB1 LYS 46 8.354 -50.272 3.362 379 2HB LYS 46 HB2 LYS 46 9.637 -50.197 2.174 380 1HG LYS 46 HG1 LYS 46 11.249 -49.912 4.189 381 2HG LYS 46 HG2 LYS 46 9.898 -50.460 5.176 382 1HD LYS 46 HD1 LYS 46 9.784 -52.558 4.025 383 2HD LYS 46 HD2 LYS 46 10.818 -51.992 2.728 384 1HE LYS 46 HE1 LYS 46 12.634 -51.745 4.585 385 2HE LYS 46 HE2 LYS 46 11.581 -52.802 5.528 386 1HZ LYS 46 HZ3 LYS 46 11.571 -54.355 3.640 387 2HZ LYS 46 HZ1 LYS 46 12.599 -53.337 2.737 388 3HZ LYS 46 HZ2 LYS 46 13.156 -54.099 4.171 389 H CYS 47 HN CYS 47 7.123 -47.564 2.050 390 HA CYS 47 HA CYS 47 7.948 -47.333 -0.680 391 1HB CYS 47 HB1 CYS 47 5.601 -47.709 0.153 392 2HB CYS 47 HB2 CYS 47 5.590 -46.075 0.735 393 H VAL 48 HN VAL 48 6.982 -44.554 1.545 394 HA VAL 48 HA VAL 48 8.245 -42.654 0.313 395 HB VAL 48 HB VAL 48 8.891 -42.235 3.164 396 1HG1 VAL 48 HG11 VAL 48 8.366 -40.452 1.376 397 2HG1 VAL 48 HG12 VAL 48 6.755 -41.183 1.281 398 3HG1 VAL 48 HG13 VAL 48 7.257 -40.329 2.746 399 1HG2 VAL 48 HG23 VAL 48 7.294 -43.795 3.691 400 2HG2 VAL 48 HG21 VAL 48 6.758 -42.171 4.133 401 3HG2 VAL 48 HG22 VAL 48 6.064 -42.982 2.726 402 H LYS 49 HN LYS 49 10.050 -44.729 2.626 403 HA LYS 49 HA LYS 49 12.589 -43.532 2.250 404 1HB LYS 49 HB1 LYS 49 11.927 -46.359 3.057 405 2HB LYS 49 HB2 LYS 49 13.547 -45.680 3.077 406 1HG LYS 49 HG1 LYS 49 12.796 -43.919 4.660 407 2HG LYS 49 HG2 LYS 49 11.180 -44.612 4.653 408 1HD LYS 49 HD1 LYS 49 12.075 -46.721 5.584 409 2HD LYS 49 HD2 LYS 49 13.689 -46.020 5.613 410 1HE LYS 49 HE1 LYS 49 12.899 -44.260 7.162 411 2HE LYS 49 HE2 LYS 49 11.283 -44.965 7.132 412 1HZ LYS 49 HZ3 LYS 49 12.211 -47.037 7.950 413 2HZ LYS 49 HZ1 LYS 49 13.761 -46.363 7.978 414 3HZ LYS 49 HZ2 LYS 49 12.566 -45.780 9.027 415 H ALA 50 HN ALA 50 11.444 -46.494 0.475 416 HA ALA 50 HA ALA 50 13.524 -46.735 -1.442 417 1HB ALA 50 HB2 ALA 50 11.715 -48.354 -1.045 418 2HB ALA 50 HB3 ALA 50 10.556 -47.263 -1.768 419 3HB ALA 50 HB1 ALA 50 11.829 -47.988 -2.745 420 H PHE 51 HN PHE 51 10.516 -44.749 -1.636 421 HA PHE 51 HA PHE 51 10.896 -43.462 -4.076 422 1HB PHE 51 HB1 PHE 51 8.906 -43.453 -2.403 423 2HB PHE 51 HB2 PHE 51 9.712 -42.129 -1.610 424 HD1 PHE 51 HD1 PHE 51 7.228 -42.868 -3.975 425 HD2 PHE 51 HD2 PHE 51 10.301 -40.022 -3.247 426 HE1 PHE 51 HE1 PHE 51 6.316 -41.514 -5.626 427 HE2 PHE 51 HE2 PHE 51 9.399 -38.622 -5.034 428 HZ PHE 51 HZ PHE 51 7.453 -39.384 -6.332 429 H LYS 52 HN LYS 52 11.831 -42.061 -0.854 430 HA LYS 52 HA LYS 52 13.087 -39.790 -1.964 431 1HB LYS 52 HB1 LYS 52 13.568 -41.056 0.742 432 2HB LYS 52 HB2 LYS 52 14.170 -39.482 0.256 433 1HG LYS 52 HG1 LYS 52 11.773 -38.746 -0.074 434 2HG LYS 52 HG2 LYS 52 11.273 -40.297 0.589 435 1HD LYS 52 HD1 LYS 52 12.779 -39.662 2.631 436 2HD LYS 52 HD2 LYS 52 12.712 -38.028 1.986 437 1HE LYS 52 HE1 LYS 52 10.204 -38.180 2.036 438 2HE LYS 52 HE2 LYS 52 10.366 -39.749 2.822 439 1HZ LYS 52 HZ1 LYS 52 11.817 -38.547 4.492 440 2HZ LYS 52 HZ2 LYS 52 11.241 -37.054 3.870 441 3HZ LYS 52 HZ3 LYS 52 10.170 -38.180 4.553 442 H ASP 53 HN ASP 53 14.547 -42.973 -1.119 443 HA ASP 53 HA ASP 53 17.202 -42.004 -1.677 444 1HB ASP 53 HB1 ASP 53 16.138 -44.779 -1.171 445 2HB ASP 53 HB2 ASP 53 17.839 -44.435 -1.482 446 H CYS 54 HN CYS 54 15.026 -44.079 -3.714 447 HA CYS 54 HA CYS 54 16.585 -43.905 -6.042 448 1HB CYS 54 HB1 CYS 54 13.721 -44.320 -5.426 449 2HB CYS 54 HB2 CYS 54 14.083 -43.846 -7.057 450 H CYS 55 HN CYS 55 14.213 -41.453 -4.849 451 HA CYS 55 HA CYS 55 14.538 -39.639 -6.969 452 1HB CYS 55 HB1 CYS 55 12.831 -39.667 -5.056 453 2HB CYS 55 HB2 CYS 55 14.035 -38.818 -4.118 454 OH TYR 56 OH TYR 56 18.254 -35.336 0.666 455 H TYR 56 HN TYR 56 16.509 -39.809 -3.935 456 HA TYR 56 HA TYR 56 18.421 -37.896 -4.665 457 1HB TYR 56 HB1 TYR 56 18.509 -40.318 -2.910 458 2HB TYR 56 HB2 TYR 56 20.037 -39.585 -3.351 459 HD1 TYR 56 HD1 TYR 56 20.660 -37.382 -2.512 460 HD2 TYR 56 HD2 TYR 56 16.820 -38.956 -1.598 461 HE1 TYR 56 HE1 TYR 56 20.328 -35.622 -0.816 462 HE2 TYR 56 HE2 TYR 56 16.511 -37.208 0.097 463 HH TYR 56 HH TYR 56 17.403 -35.427 1.096 464 H ILE 57 HN ILE 57 18.540 -41.389 -5.561 465 HA ILE 57 HA ILE 57 20.793 -41.199 -7.257 466 HB ILE 57 HB ILE 57 18.417 -43.031 -7.618 467 1HG1 ILE 57 HG11 ILE 57 19.114 -43.516 -5.452 468 2HG1 ILE 57 HG12 ILE 57 19.828 -44.768 -6.440 469 1HG2 ILE 57 HG21 ILE 57 21.237 -43.396 -8.673 470 2HG2 ILE 57 HG22 ILE 57 19.972 -44.619 -8.723 471 3HG2 ILE 57 HG23 ILE 57 19.787 -43.131 -9.630 472 1HD1 ILE 57 HD11 ILE 57 22.012 -43.543 -6.354 473 2HD1 ILE 57 HD12 ILE 57 21.243 -42.343 -5.314 474 3HD1 ILE 57 HD13 ILE 57 21.428 -44.001 -4.752 475 H ALA 58 HN ALA 58 17.442 -40.807 -8.136 476 HA ALA 58 HA ALA 58 17.606 -40.040 -10.844 477 1HB ALA 58 HB3 ALA 58 15.517 -40.428 -9.672 478 2HB ALA 58 HB1 ALA 58 15.735 -38.952 -8.743 479 3HB ALA 58 HB2 ALA 58 15.497 -38.870 -10.481 480 H ASN 59 HN ASN 59 17.800 -37.791 -8.045 481 HA ASN 59 HA ASN 59 18.547 -35.523 -9.592 482 1HB ASN 59 HB1 ASN 59 18.924 -36.042 -6.641 483 2HB ASN 59 HB2 ASN 59 19.239 -34.501 -7.433 484 1HD2 ASN 59 HD21 ASN 59 16.053 -34.904 -5.761 485 2HD2 ASN 59 HD22 ASN 59 16.401 -36.514 -6.338 486 H GLN 60 HN GLN 60 20.684 -37.950 -8.010 487 HA GLN 60 HA GLN 60 23.114 -36.784 -8.885 488 1HB GLN 60 HB1 GLN 60 22.465 -39.713 -8.490 489 2HB GLN 60 HB2 GLN 60 24.075 -39.086 -8.752 490 1HG GLN 60 HG1 GLN 60 22.313 -38.431 -6.350 491 2HG GLN 60 HG2 GLN 60 23.640 -39.575 -6.364 492 1HE2 GLN 60 HE21 GLN 60 24.529 -35.656 -6.049 493 2HE2 GLN 60 HE22 GLN 60 22.890 -36.103 -6.412 494 H VAL 61 HN VAL 61 21.090 -39.199 -10.637 495 HA VAL 61 HA VAL 61 22.554 -39.193 -13.038 496 HB VAL 61 HB VAL 61 19.598 -39.646 -12.593 497 1HG1 VAL 61 HG11 VAL 61 21.212 -40.352 -15.077 498 2HG1 VAL 61 HG12 VAL 61 19.560 -40.864 -14.751 499 3HG1 VAL 61 HG13 VAL 61 19.914 -39.167 -15.009 500 1HG2 VAL 61 HG23 VAL 61 21.909 -41.594 -12.959 501 2HG2 VAL 61 HG21 VAL 61 21.045 -41.276 -11.457 502 3HG2 VAL 61 HG22 VAL 61 20.214 -42.046 -12.800 503 NH1 ARG 62 NH1 ARG 62 15.177 -30.191 -13.518 504 NH2 ARG 62 NH2 ARG 62 14.684 -31.794 -12.153 505 H ARG 62 HN ARG 62 19.874 -36.959 -12.170 506 HA ARG 62 HA ARG 62 19.953 -35.300 -14.427 507 1HB ARG 62 HB1 ARG 62 18.286 -35.314 -12.539 508 2HB ARG 62 HB2 ARG 62 19.451 -34.438 -11.568 509 1HG ARG 62 HG1 ARG 62 19.358 -32.527 -13.156 510 2HG ARG 62 HG2 ARG 62 18.223 -33.415 -14.162 511 1HD ARG 62 HD1 ARG 62 16.679 -33.534 -12.197 512 2HD ARG 62 HD2 ARG 62 17.766 -32.464 -11.315 513 HE ARG 62 HE ARG 62 17.355 -31.031 -13.558 514 1HH1 ARG 62 HH12 ARG 62 15.809 -29.688 -14.086 515 2HH1 ARG 62 HH11 ARG 62 14.199 -29.930 -13.428 516 1HH2 ARG 62 HH22 ARG 62 14.915 -32.591 -11.607 517 2HH2 ARG 62 HH21 ARG 62 13.761 -31.431 -12.171 518 H ALA 63 HN ALA 63 21.990 -34.977 -11.474 519 HA ALA 63 HA ALA 63 23.534 -32.800 -12.498 520 1HB ALA 63 HB2 ALA 63 23.321 -33.240 -10.104 521 2HB ALA 63 HB3 ALA 63 24.128 -34.794 -10.289 522 3HB ALA 63 HB1 ALA 63 25.018 -33.299 -10.574 523 H GLU 64 HN GLU 64 24.239 -36.334 -12.473 524 HA GLU 64 HA GLU 64 26.779 -36.020 -13.777 525 1HB GLU 64 HB1 GLU 64 25.042 -38.465 -13.361 526 2HB GLU 64 HB2 GLU 64 26.665 -38.517 -14.032 527 1HG GLU 64 HG1 GLU 64 27.624 -37.673 -11.930 528 2HG GLU 64 HG2 GLU 64 26.019 -37.410 -11.260 529 H GLN 65 HN GLN 65 23.595 -37.036 -15.121 530 HA GLN 65 HA GLN 65 22.906 -37.541 -17.166 531 1HB GLN 65 HB1 GLN 65 24.461 -35.030 -17.642 532 2HB GLN 65 HB2 GLN 65 23.555 -35.785 -18.936 533 1HG GLN 65 HG1 GLN 65 21.457 -35.536 -17.753 534 2HG GLN 65 HG2 GLN 65 22.266 -35.092 -16.260 535 1HE2 GLN 65 HE21 GLN 65 22.043 -31.716 -17.070 536 2HE2 GLN 65 HE22 GLN 65 22.078 -32.946 -15.828 Start of MODEL 19 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 18.489 -41.164 0.010 2 2H MET 1 HT3 MET 1 19.054 -39.554 -0.019 3 3H MET 1 HT2 MET 1 19.937 -40.772 -0.790 4 HA MET 1 HA MET 1 21.059 -40.279 1.154 5 1HB MET 1 HB1 MET 1 19.968 -40.300 3.367 6 2HB MET 1 HB2 MET 1 19.457 -39.010 2.313 7 1HG MET 1 HG1 MET 1 17.347 -40.277 1.826 8 2HG MET 1 HG2 MET 1 17.852 -41.507 2.963 9 1HE MET 1 HE1 MET 1 18.422 -40.861 5.603 10 2HE MET 1 HE2 MET 1 17.000 -40.161 6.354 11 3HE MET 1 HE3 MET 1 16.811 -41.544 5.290 12 H LEU 2 HN LEU 2 18.585 -42.868 1.083 13 HA LEU 2 HA LEU 2 20.591 -44.715 2.205 14 1HB LEU 2 HB1 LEU 2 17.590 -44.927 2.094 15 2HB LEU 2 HB2 LEU 2 18.621 -46.257 2.570 16 HG LEU 2 HG LEU 2 18.547 -43.593 4.014 17 1HD1 LEU 2 HD12 LEU 2 16.381 -44.753 4.178 18 2HD1 LEU 2 HD13 LEU 2 17.190 -46.226 4.703 19 3HD1 LEU 2 HD11 LEU 2 17.216 -44.792 5.724 20 1HD2 LEU 2 HD22 LEU 2 19.716 -46.273 4.861 21 2HD2 LEU 2 HD23 LEU 2 20.652 -44.849 4.419 22 3HD2 LEU 2 HD21 LEU 2 19.647 -44.823 5.854 23 H GLN 3 HN GLN 3 21.749 -44.909 0.463 24 HA GLN 3 HA GLN 3 21.206 -45.930 -2.052 25 1HB GLN 3 HB1 GLN 3 23.424 -45.154 -0.780 26 2HB GLN 3 HB2 GLN 3 23.617 -46.866 -0.483 27 1HG GLN 3 HG1 GLN 3 24.881 -46.413 -2.438 28 2HG GLN 3 HG2 GLN 3 23.420 -47.177 -3.035 29 1HE2 GLN 3 HE21 GLN 3 23.284 -44.464 -5.282 30 2HE2 GLN 3 HE22 GLN 3 23.479 -46.179 -5.109 31 H LYS 4 HN LYS 4 21.628 -47.673 0.940 32 HA LYS 4 HA LYS 4 21.203 -50.318 0.142 33 1HB LYS 4 HB1 LYS 4 22.076 -49.587 2.333 34 2HB LYS 4 HB2 LYS 4 20.516 -48.929 2.750 35 1HG LYS 4 HG1 LYS 4 20.908 -51.041 3.902 36 2HG LYS 4 HG2 LYS 4 19.530 -51.163 2.840 37 1HD LYS 4 HD1 LYS 4 20.770 -53.208 2.732 38 2HD LYS 4 HD2 LYS 4 20.928 -52.409 1.190 39 1HE LYS 4 HE1 LYS 4 23.209 -51.600 1.918 40 2HE LYS 4 HE2 LYS 4 23.016 -52.561 3.386 41 1HZ LYS 4 HZ2 LYS 4 22.647 -54.512 1.981 42 2HZ LYS 4 HZ3 LYS 4 22.823 -53.606 0.542 43 3HZ LYS 4 HZ1 LYS 4 24.145 -53.816 1.610 44 H LYS 5 HN LYS 5 18.689 -47.811 0.807 45 HA LYS 5 HA LYS 5 16.607 -49.750 0.467 46 1HB LYS 5 HB1 LYS 5 16.601 -46.881 1.153 47 2HB LYS 5 HB2 LYS 5 15.226 -47.402 0.220 48 1HG LYS 5 HG1 LYS 5 16.097 -48.744 2.803 49 2HG LYS 5 HG2 LYS 5 14.857 -47.507 2.699 50 1HD LYS 5 HD1 LYS 5 13.587 -48.990 1.107 51 2HD LYS 5 HD2 LYS 5 14.773 -50.249 1.376 52 1HE LYS 5 HE1 LYS 5 14.189 -50.163 3.825 53 2HE LYS 5 HE2 LYS 5 12.842 -49.107 3.382 54 1HZ LYS 5 HZ3 LYS 5 12.240 -50.890 1.653 55 2HZ LYS 5 HZ1 LYS 5 13.375 -51.906 2.321 56 3HZ LYS 5 HZ2 LYS 5 12.060 -51.384 3.280 57 H ILE 6 HN ILE 6 18.012 -47.360 -1.823 58 HA ILE 6 HA ILE 6 16.310 -48.159 -3.993 59 HB ILE 6 HB ILE 6 19.249 -47.762 -4.551 60 1HG1 ILE 6 HG11 ILE 6 17.442 -45.397 -4.706 61 2HG1 ILE 6 HG12 ILE 6 18.061 -45.851 -3.127 62 1HG2 ILE 6 HG22 ILE 6 16.728 -47.213 -6.271 63 2HG2 ILE 6 HG23 ILE 6 18.365 -46.871 -6.757 64 3HG2 ILE 6 HG21 ILE 6 17.851 -48.517 -6.482 65 1HD1 ILE 6 HD13 ILE 6 20.370 -45.780 -3.978 66 2HD1 ILE 6 HD11 ILE 6 19.774 -45.328 -5.562 67 3HD1 ILE 6 HD12 ILE 6 19.558 -44.233 -4.199 68 H GLU 7 HN GLU 7 19.371 -49.607 -2.837 69 HA GLU 7 HA GLU 7 19.394 -51.874 -4.495 70 1HB GLU 7 HB1 GLU 7 21.264 -51.072 -3.059 71 2HB GLU 7 HB2 GLU 7 20.392 -51.640 -1.649 72 1HG GLU 7 HG1 GLU 7 20.538 -53.994 -2.501 73 2HG GLU 7 HG2 GLU 7 21.411 -53.417 -3.914 74 H GLU 8 HN GLU 8 18.009 -51.865 -1.078 75 HA GLU 8 HA GLU 8 17.029 -54.514 -1.465 76 1HB GLU 8 HB1 GLU 8 17.629 -53.335 0.708 77 2HB GLU 8 HB2 GLU 8 16.146 -52.431 0.592 78 1HG GLU 8 HG1 GLU 8 15.990 -55.448 0.664 79 2HG GLU 8 HG2 GLU 8 16.354 -54.593 2.143 80 H GLU 9 HN GLU 9 15.362 -51.456 -2.333 81 HA GLU 9 HA GLU 9 12.960 -53.005 -3.001 82 1HB GLU 9 HB1 GLU 9 13.617 -50.143 -3.706 83 2HB GLU 9 HB2 GLU 9 12.067 -50.941 -3.901 84 1HG GLU 9 HG1 GLU 9 13.453 -50.395 -1.241 85 2HG GLU 9 HG2 GLU 9 12.139 -49.464 -1.879 86 H ALA 10 HN ALA 10 15.211 -51.128 -5.143 87 HA ALA 10 HA ALA 10 14.376 -52.663 -7.441 88 1HB ALA 10 HB1 ALA 10 16.557 -50.601 -7.074 89 2HB ALA 10 HB2 ALA 10 16.041 -51.251 -8.631 90 3HB ALA 10 HB3 ALA 10 14.918 -50.312 -7.659 91 H ALA 11 HN ALA 11 16.911 -53.763 -5.195 92 HA ALA 11 HA ALA 11 17.792 -55.671 -7.159 93 1HB ALA 11 HB3 ALA 11 17.728 -55.825 -4.107 94 2HB ALA 11 HB1 ALA 11 18.532 -57.011 -5.164 95 3HB ALA 11 HB2 ALA 11 19.080 -55.338 -5.115 96 H LYS 12 HN LYS 12 15.257 -55.735 -4.721 97 HA LYS 12 HA LYS 12 14.322 -58.392 -5.419 98 1HB LYS 12 HB1 LYS 12 13.434 -56.315 -3.426 99 2HB LYS 12 HB2 LYS 12 12.584 -57.818 -3.662 100 1HG LYS 12 HG1 LYS 12 14.536 -59.103 -2.849 101 2HG LYS 12 HG2 LYS 12 15.463 -57.602 -2.677 102 1HD LYS 12 HD1 LYS 12 13.784 -56.692 -1.173 103 2HD LYS 12 HD2 LYS 12 12.765 -58.093 -1.417 104 1HE LYS 12 HE1 LYS 12 14.242 -59.483 -0.125 105 2HE LYS 12 HE2 LYS 12 15.367 -58.131 0.079 106 1HZ LYS 12 HZ3 LYS 12 12.433 -58.010 0.846 107 2HZ LYS 12 HZ1 LYS 12 13.721 -58.271 1.942 108 3HZ LYS 12 HZ2 LYS 12 13.576 -56.791 1.093 109 OH TYR 13 OH TYR 13 15.107 -52.870 -12.526 110 H TYR 13 HN TYR 13 14.060 -57.408 -7.641 111 HA TYR 13 HA TYR 13 11.842 -56.004 -8.524 112 1HB TYR 13 HB1 TYR 13 13.571 -58.123 -9.708 113 2HB TYR 13 HB2 TYR 13 12.068 -57.785 -10.530 114 HD1 TYR 13 HD1 TYR 13 14.210 -55.122 -8.784 115 HD2 TYR 13 HD2 TYR 13 12.896 -56.797 -12.491 116 HE1 TYR 13 HE1 TYR 13 15.223 -53.297 -9.999 117 HE2 TYR 13 HE2 TYR 13 13.876 -54.896 -13.676 118 HH TYR 13 HH TYR 13 15.042 -53.001 -13.477 119 H LYS 14 HN LYS 14 11.595 -59.068 -6.991 120 HA LYS 14 HA LYS 14 8.916 -59.720 -7.540 121 1HB LYS 14 HB1 LYS 14 10.500 -59.928 -4.954 122 2HB LYS 14 HB2 LYS 14 8.938 -60.679 -5.223 123 1HG LYS 14 HG1 LYS 14 9.868 -62.046 -7.045 124 2HG LYS 14 HG2 LYS 14 11.439 -61.290 -6.843 125 1HD LYS 14 HD1 LYS 14 11.552 -62.170 -4.520 126 2HD LYS 14 HD2 LYS 14 9.994 -62.951 -4.753 127 1HE LYS 14 HE1 LYS 14 10.939 -64.302 -6.594 128 2HE LYS 14 HE2 LYS 14 12.502 -63.517 -6.367 129 1HZ LYS 14 HZ3 LYS 14 12.523 -64.302 -4.084 130 2HZ LYS 14 HZ1 LYS 14 11.026 -65.054 -4.301 131 3HZ LYS 14 HZ2 LYS 14 12.383 -65.615 -5.145 132 OH TYR 15 OH TYR 15 10.854 -58.009 0.752 133 H TYR 15 HN TYR 15 10.173 -57.037 -5.492 134 HA TYR 15 HA TYR 15 7.473 -56.293 -4.616 135 1HB TYR 15 HB1 TYR 15 10.122 -54.845 -4.345 136 2HB TYR 15 HB2 TYR 15 8.624 -54.323 -3.626 137 HD1 TYR 15 HD1 TYR 15 8.301 -57.705 -2.950 138 HD2 TYR 15 HD2 TYR 15 10.831 -54.433 -1.950 139 HE1 TYR 15 HE1 TYR 15 9.030 -58.880 -0.939 140 HE2 TYR 15 HE2 TYR 15 11.593 -55.654 0.048 141 HH TYR 15 HH TYR 15 10.379 -58.844 0.829 142 H ALA 16 HN ALA 16 6.963 -56.423 -6.950 143 HA ALA 16 HA ALA 16 8.141 -55.042 -9.015 144 1HB ALA 16 HB1 ALA 16 5.282 -56.025 -8.793 145 2HB ALA 16 HB2 ALA 16 6.086 -55.593 -10.300 146 3HB ALA 16 HB3 ALA 16 6.685 -56.938 -9.339 147 H MET 17 HN MET 17 5.161 -53.985 -7.422 148 HA MET 17 HA MET 17 4.873 -51.505 -8.802 149 1HB MET 17 HB1 MET 17 3.057 -52.825 -7.687 150 2HB MET 17 HB2 MET 17 3.722 -52.381 -6.129 151 1HG MET 17 HG1 MET 17 3.268 -49.984 -6.624 152 2HG MET 17 HG2 MET 17 2.614 -50.433 -8.186 153 1HE MET 17 HE2 MET 17 0.471 -52.230 -8.352 154 2HE MET 17 HE3 MET 17 -0.908 -51.535 -7.519 155 3HE MET 17 HE1 MET 17 0.101 -50.499 -8.514 156 H LEU 18 HN LEU 18 6.753 -52.389 -5.976 157 HA LEU 18 HA LEU 18 6.947 -49.648 -4.988 158 1HB LEU 18 HB1 LEU 18 8.198 -52.186 -3.905 159 2HB LEU 18 HB2 LEU 18 8.148 -50.635 -3.099 160 HG LEU 18 HG LEU 18 5.698 -52.284 -3.816 161 1HD1 LEU 18 HD12 LEU 18 7.050 -51.890 -1.142 162 2HD1 LEU 18 HD13 LEU 18 5.518 -52.717 -1.398 163 3HD1 LEU 18 HD11 LEU 18 7.001 -53.380 -2.070 164 1HD2 LEU 18 HD21 LEU 18 5.948 -49.754 -2.169 165 2HD2 LEU 18 HD22 LEU 18 5.184 -49.882 -3.747 166 3HD2 LEU 18 HD23 LEU 18 4.470 -50.702 -2.361 167 H LYS 19 HN LYS 19 9.282 -52.076 -6.321 168 HA LYS 19 HA LYS 19 11.227 -50.058 -6.767 169 1HB LYS 19 HB1 LYS 19 12.303 -51.603 -8.303 170 2HB LYS 19 HB2 LYS 19 11.740 -52.482 -6.904 171 1HG LYS 19 HG1 LYS 19 11.007 -53.979 -8.420 172 2HG LYS 19 HG2 LYS 19 9.632 -52.916 -8.563 173 1HD LYS 19 HD1 LYS 19 10.860 -51.768 -10.499 174 2HD LYS 19 HD2 LYS 19 12.051 -53.033 -10.383 175 1HE LYS 19 HE1 LYS 19 10.681 -53.808 -12.082 176 2HE LYS 19 HE2 LYS 19 10.072 -54.680 -10.683 177 1HZ LYS 19 HZ2 LYS 19 8.328 -52.935 -10.398 178 2HZ LYS 19 HZ3 LYS 19 8.982 -52.141 -11.749 179 3HZ LYS 19 HZ1 LYS 19 8.263 -53.658 -11.944 180 H LYS 20 HN LYS 20 8.369 -50.936 -8.850 181 HA LYS 20 HA LYS 20 9.009 -49.031 -10.866 182 1HB LYS 20 HB1 LYS 20 7.236 -50.904 -10.864 183 2HB LYS 20 HB2 LYS 20 6.230 -49.827 -9.950 184 1HG LYS 20 HG1 LYS 20 7.042 -48.298 -12.199 185 2HG LYS 20 HG2 LYS 20 6.805 -49.905 -12.829 186 1HD LYS 20 HD1 LYS 20 4.763 -48.619 -13.076 187 2HD LYS 20 HD2 LYS 20 4.500 -49.947 -11.972 188 1HE LYS 20 HE1 LYS 20 3.382 -47.845 -11.264 189 2HE LYS 20 HE2 LYS 20 4.508 -48.438 -10.055 190 1HZ LYS 20 HZ1 LYS 20 6.199 -46.898 -10.948 191 2HZ LYS 20 HZ2 LYS 20 5.085 -46.298 -12.060 192 3HZ LYS 20 HZ3 LYS 20 4.905 -46.032 -10.407 193 H CYS 21 HN CYS 21 7.291 -48.517 -7.681 194 HA CYS 21 HA CYS 21 6.946 -45.758 -7.916 195 1HB CYS 21 HB1 CYS 21 6.126 -47.383 -6.164 196 2HB CYS 21 HB2 CYS 21 7.708 -47.277 -5.418 197 H CYS 22 HN CYS 22 9.913 -47.410 -6.637 198 HA CYS 22 HA CYS 22 11.845 -45.332 -6.715 199 1HB CYS 22 HB1 CYS 22 12.065 -47.920 -6.369 200 2HB CYS 22 HB2 CYS 22 12.621 -47.804 -7.990 201 OH TYR 23 OH TYR 23 15.451 -50.775 -10.990 202 H TYR 23 HN TYR 23 10.785 -47.083 -9.525 203 HA TYR 23 HA TYR 23 12.248 -45.252 -11.131 204 1HB TYR 23 HB1 TYR 23 10.395 -47.418 -11.935 205 2HB TYR 23 HB2 TYR 23 11.559 -46.598 -12.956 206 HD1 TYR 23 HD1 TYR 23 11.652 -49.307 -12.868 207 HD2 TYR 23 HD2 TYR 23 13.456 -47.008 -9.664 208 HE1 TYR 23 HE1 TYR 23 13.468 -50.956 -12.646 209 HE2 TYR 23 HE2 TYR 23 15.257 -48.574 -9.652 210 HH TYR 23 HH TYR 23 15.310 -51.540 -11.598 211 H ASP 24 HN ASP 24 8.796 -45.083 -10.247 212 HA ASP 24 HA ASP 24 8.216 -42.678 -11.618 213 1HB ASP 24 HB1 ASP 24 7.417 -43.369 -8.771 214 2HB ASP 24 HB2 ASP 24 6.827 -42.008 -9.696 215 H GLY 25 HN GLY 25 9.935 -42.976 -8.498 216 1HA GLY 25 HA1 GLY 25 10.739 -40.285 -8.203 217 2HA GLY 25 HA2 GLY 25 11.617 -41.657 -7.571 218 H ALA 26 HN ALA 26 12.499 -42.876 -9.876 219 HA ALA 26 HA ALA 26 14.619 -41.300 -10.877 220 1HB ALA 26 HB3 ALA 26 14.710 -43.736 -10.891 221 2HB ALA 26 HB1 ALA 26 13.442 -43.791 -12.116 222 3HB ALA 26 HB2 ALA 26 15.006 -43.091 -12.501 223 OH TYR 27 OH TYR 27 11.789 -44.575 -18.691 224 H TYR 27 HN TYR 27 11.485 -42.005 -12.582 225 HA TYR 27 HA TYR 27 12.067 -40.192 -14.705 226 1HB TYR 27 HB1 TYR 27 9.588 -41.612 -13.799 227 2HB TYR 27 HB2 TYR 27 9.447 -40.316 -14.970 228 HD1 TYR 27 HD1 TYR 27 10.732 -43.718 -14.411 229 HD2 TYR 27 HD2 TYR 27 10.509 -40.521 -17.197 230 HE1 TYR 27 HE1 TYR 27 11.460 -45.235 -16.231 231 HE2 TYR 27 HE2 TYR 27 11.232 -42.033 -18.995 232 HH TYR 27 HH TYR 27 11.841 -44.103 -19.523 233 NH1 ARG 28 NH1 ARG 28 13.155 -31.809 -8.449 234 NH2 ARG 28 NH2 ARG 28 11.802 -33.495 -8.534 235 H ARG 28 HN ARG 28 12.925 -38.588 -13.116 236 HA ARG 28 HA ARG 28 10.989 -36.593 -12.221 237 1HB ARG 28 HB1 ARG 28 13.003 -37.195 -10.967 238 2HB ARG 28 HB2 ARG 28 13.998 -36.570 -12.272 239 1HG ARG 28 HG1 ARG 28 13.412 -34.318 -11.821 240 2HG ARG 28 HG2 ARG 28 12.011 -34.778 -10.867 241 1HD ARG 28 HD1 ARG 28 13.515 -35.747 -9.140 242 2HD ARG 28 HD2 ARG 28 14.901 -35.350 -10.133 243 HE ARG 28 HE ARG 28 14.834 -33.278 -9.059 244 1HH1 ARG 28 HH12 ARG 28 14.053 -31.415 -8.582 245 2HH1 ARG 28 HH11 ARG 28 12.382 -31.308 -8.074 246 1HH2 ARG 28 HH22 ARG 28 11.625 -34.446 -8.730 247 2HH2 ARG 28 HH21 ARG 28 11.115 -32.852 -8.137 248 H ASN 29 HN ASN 29 10.001 -36.259 -14.213 249 HA ASN 29 HA ASN 29 11.442 -34.666 -16.223 250 1HB ASN 29 HB1 ASN 29 8.748 -36.068 -16.282 251 2HB ASN 29 HB2 ASN 29 9.370 -35.101 -17.609 252 1HD2 ASN 29 HD21 ASN 29 11.838 -37.577 -18.438 253 2HD2 ASN 29 HD22 ASN 29 11.461 -35.890 -18.614 254 H ASP 30 HN ASP 30 9.028 -34.078 -13.766 255 HA ASP 30 HA ASP 30 8.005 -31.704 -15.024 256 1HB ASP 30 HB1 ASP 30 6.631 -31.434 -12.940 257 2HB ASP 30 HB2 ASP 30 6.397 -32.931 -13.824 258 H ASP 31 HN ASP 31 8.965 -31.397 -11.639 259 HA ASP 31 HA ASP 31 10.897 -29.372 -11.876 260 1HB ASP 31 HB1 ASP 31 9.555 -27.307 -11.599 261 2HB ASP 31 HB2 ASP 31 9.189 -28.093 -13.121 262 H GLU 32 HN GLU 32 8.254 -30.753 -10.016 263 HA GLU 32 HA GLU 32 8.417 -29.116 -7.698 264 1HB GLU 32 HB1 GLU 32 7.160 -31.809 -8.291 265 2HB GLU 32 HB2 GLU 32 6.917 -30.937 -6.782 266 1HG GLU 32 HG1 GLU 32 5.881 -29.046 -8.012 267 2HG GLU 32 HG2 GLU 32 6.121 -29.890 -9.538 268 H THR 33 HN THR 33 8.775 -29.980 -5.444 269 HA THR 33 HA THR 33 11.303 -31.466 -5.357 270 HB THR 33 HB THR 33 11.280 -29.499 -4.027 271 HG1 THR 33 HG1 THR 33 12.000 -30.596 -2.088 272 1HG2 THR 33 HG22 THR 33 8.939 -29.434 -3.180 273 2HG2 THR 33 HG23 THR 33 9.287 -30.861 -2.201 274 3HG2 THR 33 HG21 THR 33 10.131 -29.352 -1.886 275 H CYS 34 HN CYS 34 11.618 -33.188 -3.746 276 HA CYS 34 HA CYS 34 10.223 -35.353 -4.919 277 1HB CYS 34 HB1 CYS 34 12.179 -35.372 -2.607 278 2HB CYS 34 HB2 CYS 34 11.616 -36.796 -3.452 279 H GLU 35 HN GLU 35 10.166 -34.299 -1.527 280 HA GLU 35 HA GLU 35 8.190 -36.222 -0.719 281 1HB GLU 35 HB1 GLU 35 9.939 -35.193 0.780 282 2HB GLU 35 HB2 GLU 35 9.132 -33.650 0.644 283 1HG GLU 35 HG1 GLU 35 8.534 -34.570 2.790 284 2HG GLU 35 HG2 GLU 35 7.099 -34.686 1.790 285 H GLU 36 HN GLU 36 7.826 -33.021 -2.125 286 HA GLU 36 HA GLU 36 5.039 -32.637 -1.434 287 1HB GLU 36 HB1 GLU 36 6.422 -30.766 -1.954 288 2HB GLU 36 HB2 GLU 36 7.008 -31.497 -3.431 289 1HG GLU 36 HG1 GLU 36 4.712 -31.127 -4.459 290 2HG GLU 36 HG2 GLU 36 4.275 -30.237 -3.012 291 NH1 ARG 37 NH1 ARG 37 8.388 -36.958 -11.609 292 NH2 ARG 37 NH2 ARG 37 9.112 -38.027 -9.835 293 H ARG 37 HN ARG 37 6.732 -33.559 -4.345 294 HA ARG 37 HA ARG 37 4.721 -34.538 -6.025 295 1HB ARG 37 HB1 ARG 37 7.270 -34.077 -6.312 296 2HB ARG 37 HB2 ARG 37 7.521 -35.673 -5.663 297 1HG ARG 37 HG1 ARG 37 6.284 -36.620 -7.641 298 2HG ARG 37 HG2 ARG 37 6.129 -34.985 -8.276 299 1HD ARG 37 HD1 ARG 37 8.669 -34.792 -8.074 300 2HD ARG 37 HD2 ARG 37 8.696 -36.506 -7.732 301 HE ARG 37 HE ARG 37 7.656 -35.321 -10.290 302 1HH1 ARG 37 HH12 ARG 37 7.907 -36.149 -11.966 303 2HH1 ARG 37 HH11 ARG 37 8.763 -37.697 -12.193 304 1HH2 ARG 37 HH22 ARG 37 9.274 -38.031 -8.864 305 2HH2 ARG 37 HH21 ARG 37 9.378 -38.804 -10.413 306 H ALA 38 HN ALA 38 6.745 -36.464 -3.716 307 HA ALA 38 HA ALA 38 4.861 -38.638 -3.843 308 1HB ALA 38 HB3 ALA 38 7.534 -38.379 -2.601 309 2HB ALA 38 HB1 ALA 38 6.511 -39.837 -2.535 310 3HB ALA 38 HB2 ALA 38 6.974 -39.190 -4.110 311 H ALA 39 HN ALA 39 4.815 -35.942 -1.545 312 HA ALA 39 HA ALA 39 2.992 -37.271 0.122 313 1HB ALA 39 HB2 ALA 39 3.717 -34.963 0.526 314 2HB ALA 39 HB3 ALA 39 2.866 -34.420 -0.916 315 3HB ALA 39 HB1 ALA 39 1.955 -35.049 0.460 316 NH1 ARG 40 NH1 ARG 40 2.381 -33.362 -8.499 317 NH2 ARG 40 NH2 ARG 40 1.963 -32.225 -6.666 318 H ARG 40 HN ARG 40 2.431 -35.882 -3.146 319 HA ARG 40 HA ARG 40 -0.231 -36.962 -3.303 320 1HB ARG 40 HB1 ARG 40 1.634 -36.280 -5.572 321 2HB ARG 40 HB2 ARG 40 -0.066 -36.688 -5.750 322 1HG ARG 40 HG1 ARG 40 -0.458 -34.695 -4.076 323 2HG ARG 40 HG2 ARG 40 1.183 -34.242 -4.503 324 1HD ARG 40 HD1 ARG 40 -1.124 -34.563 -6.440 325 2HD ARG 40 HD2 ARG 40 -0.487 -33.038 -5.883 326 HE ARG 40 HE ARG 40 0.844 -34.891 -7.760 327 1HH1 ARG 40 HH12 ARG 40 2.196 -34.129 -9.089 328 2HH1 ARG 40 HH11 ARG 40 3.102 -32.679 -8.726 329 1HH2 ARG 40 HH22 ARG 40 1.446 -32.147 -5.830 330 2HH2 ARG 40 HH21 ARG 40 2.692 -31.560 -6.916 331 H ILE 41 HN ILE 41 2.788 -38.465 -4.596 332 HA ILE 41 HA ILE 41 1.553 -40.993 -4.824 333 HB ILE 41 HB ILE 41 4.563 -40.611 -4.852 334 1HG1 ILE 41 HG11 ILE 41 3.658 -41.212 -7.402 335 2HG1 ILE 41 HG12 ILE 41 2.384 -40.127 -6.819 336 1HG2 ILE 41 HG23 ILE 41 2.835 -42.860 -5.602 337 2HG2 ILE 41 HG21 ILE 41 4.598 -42.549 -5.968 338 3HG2 ILE 41 HG22 ILE 41 4.009 -42.811 -4.279 339 1HD1 ILE 41 HD12 ILE 41 5.255 -39.559 -6.391 340 2HD1 ILE 41 HD13 ILE 41 4.425 -39.010 -7.888 341 3HD1 ILE 41 HD11 ILE 41 3.944 -38.418 -6.289 342 H LYS 42 HN LYS 42 0.600 -41.195 -3.249 343 HA LYS 42 HA LYS 42 1.586 -41.486 -0.466 344 1HB LYS 42 HB1 LYS 42 -0.704 -41.144 0.286 345 2HB LYS 42 HB2 LYS 42 -0.129 -39.845 -0.738 346 1HG LYS 42 HG1 LYS 42 -1.453 -40.746 -2.636 347 2HG LYS 42 HG2 LYS 42 -2.003 -42.079 -1.634 348 1HD LYS 42 HD1 LYS 42 -3.787 -40.536 -1.660 349 2HD LYS 42 HD2 LYS 42 -3.036 -40.344 -0.088 350 1HE LYS 42 HE1 LYS 42 -1.852 -38.317 -0.894 351 2HE LYS 42 HE2 LYS 42 -2.584 -38.534 -2.482 352 1HZ LYS 42 HZ1 LYS 42 -4.061 -38.198 0.068 353 2HZ LYS 42 HZ2 LYS 42 -3.863 -36.991 -1.103 354 3HZ LYS 42 HZ3 LYS 42 -4.764 -38.382 -1.458 355 H ILE 43 HN ILE 43 1.604 -43.732 -2.569 356 HA ILE 43 HA ILE 43 -0.479 -45.579 -1.948 357 HB ILE 43 HB ILE 43 2.082 -45.966 -3.514 358 1HG1 ILE 43 HG11 ILE 43 -0.734 -45.604 -4.574 359 2HG1 ILE 43 HG12 ILE 43 0.342 -44.250 -4.337 360 1HG2 ILE 43 HG21 ILE 43 -0.363 -47.777 -3.414 361 2HG2 ILE 43 HG22 ILE 43 0.996 -47.974 -4.514 362 3HG2 ILE 43 HG23 ILE 43 1.233 -48.182 -2.797 363 1HD1 ILE 43 HD11 ILE 43 1.957 -45.247 -5.951 364 2HD1 ILE 43 HD12 ILE 43 0.839 -46.574 -6.239 365 3HD1 ILE 43 HD13 ILE 43 0.383 -44.937 -6.677 366 H GLY 44 HN GLY 44 2.922 -45.510 -0.811 367 1HA GLY 44 HA1 GLY 44 2.118 -46.824 1.597 368 2HA GLY 44 HA2 GLY 44 2.993 -47.935 0.574 369 HA PRO 45 HA PRO 45 5.973 -45.230 3.409 370 1HB PRO 45 HB1 PRO 45 6.233 -48.013 4.598 371 2HB PRO 45 HB2 PRO 45 6.499 -46.432 5.356 372 1HG PRO 45 HG1 PRO 45 4.192 -47.623 5.785 373 2HG PRO 45 HG2 PRO 45 4.161 -45.909 5.320 374 1HD PRO 45 HD1 PRO 45 3.705 -48.351 3.575 375 2HD PRO 45 HD2 PRO 45 2.756 -46.852 3.689 376 H LYS 46 HN LYS 46 6.500 -48.599 2.384 377 HA LYS 46 HA LYS 46 9.185 -48.355 1.565 378 1HB LYS 46 HB1 LYS 46 6.986 -50.330 1.062 379 2HB LYS 46 HB2 LYS 46 8.414 -50.403 0.049 380 1HG LYS 46 HG1 LYS 46 9.859 -50.670 1.978 381 2HG LYS 46 HG2 LYS 46 8.501 -50.499 3.078 382 1HD LYS 46 HD1 LYS 46 7.631 -52.601 2.562 383 2HD LYS 46 HD2 LYS 46 8.378 -52.658 0.982 384 1HE LYS 46 HE1 LYS 46 10.115 -52.706 3.449 385 2HE LYS 46 HE2 LYS 46 9.282 -54.167 2.938 386 1HZ LYS 46 HZ2 LYS 46 10.993 -52.522 1.064 387 2HZ LYS 46 HZ3 LYS 46 11.530 -53.927 1.872 388 3HZ LYS 46 HZ1 LYS 46 10.241 -53.989 0.784 389 H CYS 47 HN CYS 47 6.258 -47.534 -0.174 390 HA CYS 47 HA CYS 47 7.435 -47.180 -2.770 391 1HB CYS 47 HB1 CYS 47 4.987 -47.558 -2.266 392 2HB CYS 47 HB2 CYS 47 4.926 -45.950 -1.618 393 H VAL 48 HN VAL 48 6.210 -44.498 -0.523 394 HA VAL 48 HA VAL 48 7.631 -42.546 -1.435 395 HB VAL 48 HB VAL 48 7.915 -42.485 1.534 396 1HG1 VAL 48 HG12 VAL 48 7.878 -40.476 -0.071 397 2HG1 VAL 48 HG13 VAL 48 6.244 -41.018 -0.506 398 3HG1 VAL 48 HG11 VAL 48 6.568 -40.376 1.114 399 1HG2 VAL 48 HG23 VAL 48 6.110 -43.917 1.559 400 2HG2 VAL 48 HG21 VAL 48 5.652 -42.313 2.146 401 3HG2 VAL 48 HG22 VAL 48 5.144 -42.848 0.539 402 H LYS 49 HN LYS 49 9.109 -44.818 0.899 403 HA LYS 49 HA LYS 49 11.675 -43.702 0.892 404 1HB LYS 49 HB1 LYS 49 10.584 -46.308 1.683 405 2HB LYS 49 HB2 LYS 49 12.295 -46.324 1.326 406 1HG LYS 49 HG1 LYS 49 11.166 -44.199 3.152 407 2HG LYS 49 HG2 LYS 49 11.427 -45.814 3.758 408 1HD LYS 49 HD1 LYS 49 13.531 -45.227 4.219 409 2HD LYS 49 HD2 LYS 49 13.857 -45.239 2.510 410 1HE LYS 49 HE1 LYS 49 12.841 -42.734 3.820 411 2HE LYS 49 HE2 LYS 49 14.528 -43.191 3.971 412 1HZ LYS 49 HZ1 LYS 49 14.650 -43.332 1.457 413 2HZ LYS 49 HZ2 LYS 49 13.060 -42.775 1.426 414 3HZ LYS 49 HZ3 LYS 49 14.264 -41.788 2.058 415 H ALA 50 HN ALA 50 10.724 -46.446 -1.226 416 HA ALA 50 HA ALA 50 12.965 -46.609 -2.937 417 1HB ALA 50 HB1 ALA 50 10.951 -48.113 -2.888 418 2HB ALA 50 HB2 ALA 50 10.011 -46.854 -3.640 419 3HB ALA 50 HB3 ALA 50 11.336 -47.618 -4.513 420 H PHE 51 HN PHE 51 10.062 -44.546 -3.277 421 HA PHE 51 HA PHE 51 10.715 -43.079 -5.554 422 1HB PHE 51 HB1 PHE 51 8.543 -43.212 -4.108 423 2HB PHE 51 HB2 PHE 51 9.235 -41.919 -3.165 424 HD1 PHE 51 HD1 PHE 51 7.124 -42.605 -5.888 425 HD2 PHE 51 HD2 PHE 51 9.960 -39.729 -4.578 426 HE1 PHE 51 HE1 PHE 51 6.383 -41.157 -7.566 427 HE2 PHE 51 HE2 PHE 51 9.268 -38.241 -6.371 428 HZ PHE 51 HZ PHE 51 7.504 -38.966 -7.964 429 H LYS 52 HN LYS 52 11.225 -41.915 -2.141 430 HA LYS 52 HA LYS 52 12.576 -39.578 -2.945 431 1HB LYS 52 HB1 LYS 52 12.484 -41.007 -0.303 432 2HB LYS 52 HB2 LYS 52 13.407 -39.525 -0.524 433 1HG LYS 52 HG1 LYS 52 11.256 -38.447 -1.375 434 2HG LYS 52 HG2 LYS 52 10.417 -39.893 -0.844 435 1HD LYS 52 HD1 LYS 52 12.096 -38.165 0.995 436 2HD LYS 52 HD2 LYS 52 10.377 -37.944 0.759 437 1HE LYS 52 HE1 LYS 52 9.986 -40.260 1.593 438 2HE LYS 52 HE2 LYS 52 11.710 -40.393 1.948 439 1HZ LYS 52 HZ3 LYS 52 9.909 -38.192 2.976 440 2HZ LYS 52 HZ1 LYS 52 10.394 -39.570 3.874 441 3HZ LYS 52 HZ2 LYS 52 11.550 -38.446 3.355 442 H ASP 53 HN ASP 53 13.992 -42.812 -2.190 443 HA ASP 53 HA ASP 53 16.649 -41.668 -2.367 444 1HB ASP 53 HB1 ASP 53 15.695 -44.500 -2.019 445 2HB ASP 53 HB2 ASP 53 17.397 -44.055 -2.171 446 H CYS 54 HN CYS 54 14.749 -43.645 -4.754 447 HA CYS 54 HA CYS 54 16.561 -43.192 -6.866 448 1HB CYS 54 HB1 CYS 54 13.659 -43.795 -6.690 449 2HB CYS 54 HB2 CYS 54 14.294 -43.278 -8.225 450 H CYS 55 HN CYS 55 13.985 -40.940 -5.697 451 HA CYS 55 HA CYS 55 14.390 -38.906 -7.588 452 1HB CYS 55 HB1 CYS 55 12.583 -39.182 -5.784 453 2HB CYS 55 HB2 CYS 55 13.710 -38.422 -4.690 454 OH TYR 56 OH TYR 56 23.492 -41.344 -2.507 455 H TYR 56 HN TYR 56 16.114 -39.362 -4.477 456 HA TYR 56 HA TYR 56 18.070 -37.395 -4.781 457 1HB TYR 56 HB1 TYR 56 18.253 -38.220 -2.731 458 2HB TYR 56 HB2 TYR 56 17.649 -39.785 -3.168 459 HD1 TYR 56 HD1 TYR 56 20.775 -37.776 -2.861 460 HD2 TYR 56 HD2 TYR 56 19.157 -41.621 -3.649 461 HE1 TYR 56 HE1 TYR 56 22.973 -38.815 -2.416 462 HE2 TYR 56 HE2 TYR 56 21.348 -42.640 -3.171 463 HH TYR 56 HH TYR 56 23.466 -42.313 -2.679 464 H ILE 57 HN ILE 57 18.396 -40.785 -6.064 465 HA ILE 57 HA ILE 57 20.633 -40.259 -7.685 466 HB ILE 57 HB ILE 57 18.286 -42.062 -8.309 467 1HG1 ILE 57 HG11 ILE 57 19.186 -42.845 -6.320 468 2HG1 ILE 57 HG12 ILE 57 19.787 -43.921 -7.560 469 1HG2 ILE 57 HG22 ILE 57 21.002 -42.164 -9.650 470 2HG2 ILE 57 HG23 ILE 57 19.760 -43.404 -9.785 471 3HG2 ILE 57 HG21 ILE 57 19.464 -41.800 -10.420 472 1HD1 ILE 57 HD12 ILE 57 21.973 -42.672 -7.520 473 2HD1 ILE 57 HD13 ILE 57 21.314 -41.683 -6.217 474 3HD1 ILE 57 HD11 ILE 57 21.571 -43.402 -5.961 475 H ALA 58 HN ALA 58 17.313 -39.871 -8.680 476 HA ALA 58 HA ALA 58 17.649 -38.801 -11.260 477 1HB ALA 58 HB3 ALA 58 15.495 -39.439 -10.346 478 2HB ALA 58 HB1 ALA 58 15.520 -38.047 -9.273 479 3HB ALA 58 HB2 ALA 58 15.466 -37.819 -11.019 480 H ASN 59 HN ASN 59 17.467 -36.822 -8.239 481 HA ASN 59 HA ASN 59 18.204 -34.391 -9.525 482 1HB ASN 59 HB1 ASN 59 18.304 -35.180 -6.614 483 2HB ASN 59 HB2 ASN 59 18.771 -33.584 -7.195 484 1HD2 ASN 59 HD21 ASN 59 14.941 -34.370 -6.664 485 2HD2 ASN 59 HD22 ASN 59 15.980 -35.761 -6.790 486 H GLN 60 HN GLN 60 20.356 -36.844 -7.996 487 HA GLN 60 HA GLN 60 22.791 -35.527 -8.532 488 1HB GLN 60 HB1 GLN 60 22.398 -37.669 -7.197 489 2HB GLN 60 HB2 GLN 60 22.310 -38.514 -8.726 490 1HG GLN 60 HG1 GLN 60 24.694 -37.464 -9.180 491 2HG GLN 60 HG2 GLN 60 24.696 -37.140 -7.456 492 1HE2 GLN 60 HE21 GLN 60 25.742 -40.735 -8.652 493 2HE2 GLN 60 HE22 GLN 60 25.700 -39.337 -9.704 494 H VAL 61 HN VAL 61 20.982 -37.779 -10.678 495 HA VAL 61 HA VAL 61 22.575 -37.444 -12.988 496 HB VAL 61 HB VAL 61 19.660 -38.180 -12.726 497 1HG1 VAL 61 HG13 VAL 61 21.403 -38.469 -15.204 498 2HG1 VAL 61 HG11 VAL 61 19.794 -39.155 -14.999 499 3HG1 VAL 61 HG12 VAL 61 20.002 -37.415 -15.061 500 1HG2 VAL 61 HG22 VAL 61 22.145 -39.872 -13.203 501 2HG2 VAL 61 HG23 VAL 61 21.211 -39.794 -11.712 502 3HG2 VAL 61 HG21 VAL 61 20.494 -40.482 -13.161 503 NH1 ARG 62 NH1 ARG 62 14.635 -35.283 -16.462 504 NH2 ARG 62 NH2 ARG 62 16.596 -34.696 -17.232 505 H ARG 62 HN ARG 62 19.640 -35.504 -12.100 506 HA ARG 62 HA ARG 62 19.956 -33.654 -14.203 507 1HB ARG 62 HB1 ARG 62 18.683 -33.268 -11.489 508 2HB ARG 62 HB2 ARG 62 18.608 -32.076 -12.764 509 1HG ARG 62 HG1 ARG 62 17.487 -34.894 -12.990 510 2HG ARG 62 HG2 ARG 62 16.543 -33.474 -12.586 511 1HD ARG 62 HD1 ARG 62 17.056 -32.484 -14.784 512 2HD ARG 62 HD2 ARG 62 18.040 -33.884 -15.192 513 HE ARG 62 HE ARG 62 15.245 -34.443 -14.439 514 1HH1 ARG 62 HH12 ARG 62 13.971 -35.313 -15.688 515 2HH1 ARG 62 HH11 ARG 62 14.433 -35.666 -17.347 516 1HH2 ARG 62 HH22 ARG 62 17.515 -34.284 -17.112 517 2HH2 ARG 62 HH21 ARG 62 16.328 -35.082 -18.098 518 H ALA 63 HN ALA 63 21.613 -33.548 -11.021 519 HA ALA 63 HA ALA 63 23.056 -31.176 -11.621 520 1HB ALA 63 HB2 ALA 63 22.916 -32.080 -9.356 521 2HB ALA 63 HB3 ALA 63 23.815 -33.513 -9.843 522 3HB ALA 63 HB1 ALA 63 24.604 -31.936 -9.840 523 H GLU 64 HN GLU 64 24.223 -34.601 -12.081 524 HA GLU 64 HA GLU 64 26.458 -33.561 -13.643 525 1HB GLU 64 HB1 GLU 64 27.321 -35.805 -13.730 526 2HB GLU 64 HB2 GLU 64 26.923 -35.328 -12.092 527 1HG GLU 64 HG1 GLU 64 24.804 -36.693 -12.259 528 2HG GLU 64 HG2 GLU 64 25.307 -37.216 -13.861 529 H GLN 65 HN GLN 65 24.490 -32.661 -15.008 530 HA GLN 65 HA GLN 65 23.907 -34.510 -17.259 531 1HB GLN 65 HB1 GLN 65 22.000 -33.803 -15.813 532 2HB GLN 65 HB2 GLN 65 22.298 -32.137 -16.264 533 1HG GLN 65 HG1 GLN 65 21.765 -32.764 -18.678 534 2HG GLN 65 HG2 GLN 65 21.388 -34.387 -18.121 535 1HE2 GLN 65 HE21 GLN 65 18.782 -31.398 -17.216 536 2HE2 GLN 65 HE22 GLN 65 20.422 -30.974 -17.591 Start of MODEL 20 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 19.433 -41.763 -0.007 2 2H MET 1 HT2 MET 1 18.121 -42.736 0.495 3 3H MET 1 HT1 MET 1 18.093 -41.039 0.726 4 HA MET 1 HA MET 1 19.920 -41.208 2.270 5 1HB MET 1 HB1 MET 1 17.547 -43.016 2.850 6 2HB MET 1 HB2 MET 1 18.658 -42.428 4.065 7 1HG MET 1 HG1 MET 1 16.846 -40.662 2.380 8 2HG MET 1 HG2 MET 1 16.519 -41.178 4.014 9 1HE MET 1 HE2 MET 1 18.259 -40.556 6.101 10 2HE MET 1 HE3 MET 1 18.369 -38.810 6.229 11 3HE MET 1 HE1 MET 1 16.809 -39.546 5.908 12 H LEU 2 HN LEU 2 18.906 -44.515 1.204 13 HA LEU 2 HA LEU 2 21.582 -45.449 1.972 14 1HB LEU 2 HB1 LEU 2 19.982 -45.748 3.888 15 2HB LEU 2 HB2 LEU 2 19.071 -46.860 2.897 16 HG LEU 2 HG LEU 2 21.121 -48.335 2.789 17 1HD1 LEU 2 HD13 LEU 2 22.192 -46.463 4.928 18 2HD1 LEU 2 HD11 LEU 2 22.900 -48.006 4.467 19 3HD1 LEU 2 HD12 LEU 2 22.888 -46.673 3.327 20 1HD2 LEU 2 HD22 LEU 2 20.050 -47.707 5.555 21 2HD2 LEU 2 HD23 LEU 2 19.317 -48.796 4.383 22 3HD2 LEU 2 HD21 LEU 2 20.874 -49.191 5.091 23 H GLN 3 HN GLN 3 22.472 -46.611 0.593 24 HA GLN 3 HA GLN 3 21.556 -47.379 -1.922 25 1HB GLN 3 HB1 GLN 3 23.893 -46.865 -1.209 26 2HB GLN 3 HB2 GLN 3 23.965 -48.414 -0.394 27 1HG GLN 3 HG1 GLN 3 23.676 -49.580 -2.582 28 2HG GLN 3 HG2 GLN 3 23.579 -48.032 -3.394 29 1HE2 GLN 3 HE21 GLN 3 27.093 -47.622 -3.353 30 2HE2 GLN 3 HE22 GLN 3 25.578 -46.882 -3.771 31 H LYS 4 HN LYS 4 22.159 -49.453 0.870 32 HA LYS 4 HA LYS 4 21.354 -51.938 -0.091 33 1HB LYS 4 HB1 LYS 4 22.545 -51.470 2.029 34 2HB LYS 4 HB2 LYS 4 21.083 -50.785 2.705 35 1HG LYS 4 HG1 LYS 4 19.980 -52.984 2.629 36 2HG LYS 4 HG2 LYS 4 21.394 -53.683 1.854 37 1HD LYS 4 HD1 LYS 4 22.754 -53.162 3.840 38 2HD LYS 4 HD2 LYS 4 21.382 -52.392 4.606 39 1HE LYS 4 HE1 LYS 4 21.355 -55.304 3.787 40 2HE LYS 4 HE2 LYS 4 21.972 -54.772 5.345 41 1HZ LYS 4 HZ3 LYS 4 19.807 -53.657 5.709 42 2HZ LYS 4 HZ1 LYS 4 19.143 -54.336 4.292 43 3HZ LYS 4 HZ2 LYS 4 19.659 -55.331 5.567 44 H LYS 5 HN LYS 5 19.255 -49.353 1.217 45 HA LYS 5 HA LYS 5 16.886 -50.944 0.887 46 1HB LYS 5 HB1 LYS 5 17.318 -48.158 1.822 47 2HB LYS 5 HB2 LYS 5 15.719 -48.682 1.352 48 1HG LYS 5 HG1 LYS 5 16.768 -50.796 2.988 49 2HG LYS 5 HG2 LYS 5 17.272 -49.325 3.766 50 1HD LYS 5 HD1 LYS 5 15.197 -50.289 4.676 51 2HD LYS 5 HD2 LYS 5 14.995 -48.645 4.154 52 1HE LYS 5 HE1 LYS 5 13.041 -49.796 3.504 53 2HE LYS 5 HE2 LYS 5 13.926 -49.595 2.013 54 1HZ LYS 5 HZ3 LYS 5 14.898 -52.001 2.755 55 2HZ LYS 5 HZ1 LYS 5 13.436 -52.018 3.559 56 3HZ LYS 5 HZ2 LYS 5 13.404 -51.792 1.863 57 H ILE 6 HN ILE 6 18.304 -48.415 -1.313 58 HA ILE 6 HA ILE 6 16.247 -48.654 -3.269 59 HB ILE 6 HB ILE 6 19.046 -48.903 -4.367 60 1HG1 ILE 6 HG11 ILE 6 18.119 -46.123 -3.856 61 2HG1 ILE 6 HG12 ILE 6 18.917 -46.975 -2.540 62 1HG2 ILE 6 HG23 ILE 6 17.064 -48.893 -5.957 63 2HG2 ILE 6 HG21 ILE 6 16.565 -47.364 -5.332 64 3HG2 ILE 6 HG22 ILE 6 18.057 -47.487 -6.213 65 1HD1 ILE 6 HD12 ILE 6 20.834 -47.471 -4.051 66 2HD1 ILE 6 HD13 ILE 6 20.049 -46.569 -5.334 67 3HD1 ILE 6 HD11 ILE 6 20.560 -45.741 -3.865 68 H GLU 7 HN GLU 7 19.098 -50.722 -2.763 69 HA GLU 7 HA GLU 7 18.381 -52.728 -4.601 70 1HB GLU 7 HB1 GLU 7 20.274 -52.684 -2.295 71 2HB GLU 7 HB2 GLU 7 19.845 -54.230 -2.990 72 1HG GLU 7 HG1 GLU 7 21.812 -53.606 -4.153 73 2HG GLU 7 HG2 GLU 7 20.522 -53.259 -5.283 74 H GLU 8 HN GLU 8 17.589 -52.913 -0.994 75 HA GLU 8 HA GLU 8 16.152 -55.326 -1.404 76 1HB GLU 8 HB1 GLU 8 15.533 -53.112 0.625 77 2HB GLU 8 HB2 GLU 8 14.956 -54.757 0.742 78 1HG GLU 8 HG1 GLU 8 17.079 -55.602 1.379 79 2HG GLU 8 HG2 GLU 8 17.929 -54.196 0.771 80 H GLU 9 HN GLU 9 14.980 -52.028 -2.074 81 HA GLU 9 HA GLU 9 12.333 -53.080 -2.712 82 1HB GLU 9 HB1 GLU 9 13.392 -50.374 -3.453 83 2HB GLU 9 HB2 GLU 9 11.722 -50.899 -3.370 84 1HG GLU 9 HG1 GLU 9 13.640 -50.369 -1.067 85 2HG GLU 9 HG2 GLU 9 12.121 -49.577 -1.384 86 H ALA 10 HN ALA 10 14.746 -51.553 -4.871 87 HA ALA 10 HA ALA 10 13.661 -52.886 -7.208 88 1HB ALA 10 HB1 ALA 10 16.101 -51.134 -6.778 89 2HB ALA 10 HB2 ALA 10 15.473 -51.617 -8.356 90 3HB ALA 10 HB3 ALA 10 14.497 -50.609 -7.293 91 H ALA 11 HN ALA 11 16.039 -54.417 -5.103 92 HA ALA 11 HA ALA 11 16.753 -56.245 -7.224 93 1HB ALA 11 HB3 ALA 11 16.800 -56.534 -4.173 94 2HB ALA 11 HB1 ALA 11 17.476 -57.731 -5.311 95 3HB ALA 11 HB2 ALA 11 18.143 -56.104 -5.220 96 H LYS 12 HN LYS 12 14.350 -56.258 -4.676 97 HA LYS 12 HA LYS 12 13.276 -58.859 -5.425 98 1HB LYS 12 HB1 LYS 12 12.723 -56.958 -3.145 99 2HB LYS 12 HB2 LYS 12 11.871 -58.468 -3.366 100 1HG LYS 12 HG1 LYS 12 13.811 -59.777 -2.926 101 2HG LYS 12 HG2 LYS 12 14.901 -58.432 -3.200 102 1HD LYS 12 HD1 LYS 12 14.864 -58.762 -0.854 103 2HD LYS 12 HD2 LYS 12 13.929 -57.319 -1.165 104 1HE LYS 12 HE1 LYS 12 11.938 -59.230 -1.147 105 2HE LYS 12 HE2 LYS 12 13.105 -59.942 -0.039 106 1HZ LYS 12 HZ2 LYS 12 13.205 -57.785 1.115 107 2HZ LYS 12 HZ3 LYS 12 12.013 -57.131 0.055 108 3HZ LYS 12 HZ1 LYS 12 11.635 -58.417 1.140 109 OH TYR 13 OH TYR 13 14.272 -53.285 -12.194 110 H TYR 13 HN TYR 13 12.826 -57.757 -7.481 111 HA TYR 13 HA TYR 13 10.651 -56.163 -8.109 112 1HB TYR 13 HB1 TYR 13 12.112 -58.380 -9.508 113 2HB TYR 13 HB2 TYR 13 10.640 -57.787 -10.228 114 HD1 TYR 13 HD1 TYR 13 13.067 -55.394 -8.463 115 HD2 TYR 13 HD2 TYR 13 11.663 -56.964 -12.190 116 HE1 TYR 13 HE1 TYR 13 14.310 -53.726 -9.679 117 HE2 TYR 13 HE2 TYR 13 12.866 -55.190 -13.367 118 HH TYR 13 HH TYR 13 14.214 -53.407 -13.146 119 H LYS 14 HN LYS 14 10.186 -59.055 -6.457 120 HA LYS 14 HA LYS 14 7.655 -59.948 -7.263 121 1HB LYS 14 HB1 LYS 14 8.861 -59.736 -4.472 122 2HB LYS 14 HB2 LYS 14 7.415 -60.644 -4.860 123 1HG LYS 14 HG1 LYS 14 8.707 -62.117 -6.367 124 2HG LYS 14 HG2 LYS 14 10.174 -61.223 -6.004 125 1HD LYS 14 HD1 LYS 14 9.962 -61.850 -3.613 126 2HD LYS 14 HD2 LYS 14 8.501 -62.755 -3.986 127 1HE LYS 14 HE1 LYS 14 9.797 -64.224 -5.500 128 2HE LYS 14 HE2 LYS 14 11.263 -63.322 -5.114 129 1HZ LYS 14 HZ3 LYS 14 10.938 -63.868 -2.783 130 2HZ LYS 14 HZ1 LYS 14 9.535 -64.732 -3.155 131 3HZ LYS 14 HZ2 LYS 14 11.039 -65.287 -3.701 132 OH TYR 15 OH TYR 15 11.545 -55.942 -0.560 133 H TYR 15 HN TYR 15 8.355 -57.397 -4.789 134 HA TYR 15 HA TYR 15 5.615 -56.449 -5.103 135 1HB TYR 15 HB1 TYR 15 6.281 -54.720 -3.348 136 2HB TYR 15 HB2 TYR 15 5.920 -56.370 -2.912 137 HD1 TYR 15 HD1 TYR 15 7.299 -57.221 -1.254 138 HD2 TYR 15 HD2 TYR 15 9.038 -54.565 -4.057 139 HE1 TYR 15 HE1 TYR 15 9.399 -57.249 0.028 140 HE2 TYR 15 HE2 TYR 15 11.160 -54.679 -2.834 141 HH TYR 15 HH TYR 15 12.250 -55.427 -1.033 142 H ALA 16 HN ALA 16 6.097 -56.245 -7.209 143 HA ALA 16 HA ALA 16 7.650 -54.448 -8.584 144 1HB ALA 16 HB2 ALA 16 4.897 -55.523 -9.276 145 2HB ALA 16 HB3 ALA 16 6.009 -54.786 -10.426 146 3HB ALA 16 HB1 ALA 16 6.448 -56.287 -9.617 147 H MET 17 HN MET 17 4.510 -53.770 -7.169 148 HA MET 17 HA MET 17 4.087 -51.146 -8.124 149 1HB MET 17 HB1 MET 17 2.392 -52.608 -7.096 150 2HB MET 17 HB2 MET 17 3.210 -52.500 -5.552 151 1HG MET 17 HG1 MET 17 2.663 -50.104 -5.397 152 2HG MET 17 HG2 MET 17 1.963 -50.140 -7.002 153 1HE MET 17 HE1 MET 17 1.667 -50.768 -3.328 154 2HE MET 17 HE2 MET 17 0.069 -51.428 -3.074 155 3HE MET 17 HE3 MET 17 1.374 -52.499 -3.583 156 H LEU 18 HN LEU 18 5.977 -52.270 -5.329 157 HA LEU 18 HA LEU 18 6.419 -49.561 -4.343 158 1HB LEU 18 HB1 LEU 18 7.543 -52.200 -3.346 159 2HB LEU 18 HB2 LEU 18 7.653 -50.656 -2.523 160 HG LEU 18 HG LEU 18 5.069 -52.147 -3.102 161 1HD1 LEU 18 HD11 LEU 18 6.424 -53.269 -1.398 162 2HD1 LEU 18 HD12 LEU 18 6.580 -51.757 -0.512 163 3HD1 LEU 18 HD13 LEU 18 5.005 -52.530 -0.667 164 1HD2 LEU 18 HD21 LEU 18 5.537 -49.628 -1.486 165 2HD2 LEU 18 HD22 LEU 18 4.694 -49.709 -3.027 166 3HD2 LEU 18 HD23 LEU 18 4.004 -50.492 -1.607 167 H LYS 19 HN LYS 19 8.474 -52.115 -5.803 168 HA LYS 19 HA LYS 19 10.608 -50.339 -6.287 169 1HB LYS 19 HB1 LYS 19 11.323 -52.448 -6.770 170 2HB LYS 19 HB2 LYS 19 9.743 -53.025 -7.191 171 1HG LYS 19 HG1 LYS 19 11.221 -51.374 -9.241 172 2HG LYS 19 HG2 LYS 19 11.740 -53.004 -8.924 173 1HD LYS 19 HD1 LYS 19 9.688 -53.960 -9.570 174 2HD LYS 19 HD2 LYS 19 8.832 -52.429 -9.496 175 1HE LYS 19 HE1 LYS 19 10.088 -51.638 -11.458 176 2HE LYS 19 HE2 LYS 19 10.927 -53.188 -11.542 177 1HZ LYS 19 HZ3 LYS 19 7.988 -52.817 -11.600 178 2HZ LYS 19 HZ1 LYS 19 8.934 -53.142 -12.971 179 3HZ LYS 19 HZ2 LYS 19 8.800 -54.294 -11.734 180 H LYS 20 HN LYS 20 7.608 -50.718 -8.373 181 HA LYS 20 HA LYS 20 8.352 -48.724 -10.204 182 1HB LYS 20 HB1 LYS 20 6.282 -50.102 -10.418 183 2HB LYS 20 HB2 LYS 20 5.587 -49.279 -9.038 184 1HG LYS 20 HG1 LYS 20 5.843 -47.087 -10.434 185 2HG LYS 20 HG2 LYS 20 6.133 -48.148 -11.793 186 1HD LYS 20 HD1 LYS 20 3.952 -49.066 -11.690 187 2HD LYS 20 HD2 LYS 20 3.672 -48.462 -10.067 188 1HE LYS 20 HE1 LYS 20 4.082 -46.629 -12.443 189 2HE LYS 20 HE2 LYS 20 2.497 -47.223 -11.965 190 1HZ LYS 20 HZ3 LYS 20 2.890 -46.288 -9.743 191 2HZ LYS 20 HZ1 LYS 20 4.372 -45.616 -10.196 192 3HZ LYS 20 HZ2 LYS 20 2.956 -45.086 -10.933 193 H CYS 21 HN CYS 21 6.765 -48.167 -6.888 194 HA CYS 21 HA CYS 21 6.853 -45.412 -6.881 195 1HB CYS 21 HB1 CYS 21 7.493 -47.353 -4.672 196 2HB CYS 21 HB2 CYS 21 7.369 -45.631 -4.410 197 H CYS 22 HN CYS 22 9.654 -47.484 -6.005 198 HA CYS 22 HA CYS 22 11.821 -45.623 -6.063 199 1HB CYS 22 HB1 CYS 22 11.751 -48.222 -5.798 200 2HB CYS 22 HB2 CYS 22 12.256 -48.119 -7.445 201 OH TYR 23 OH TYR 23 14.856 -51.189 -10.658 202 H TYR 23 HN TYR 23 10.503 -47.133 -8.913 203 HA TYR 23 HA TYR 23 12.178 -45.435 -10.485 204 1HB TYR 23 HB1 TYR 23 10.071 -47.376 -11.264 205 2HB TYR 23 HB2 TYR 23 11.280 -46.676 -12.323 206 HD1 TYR 23 HD1 TYR 23 11.049 -49.374 -12.212 207 HD2 TYR 23 HD2 TYR 23 13.221 -47.321 -9.099 208 HE1 TYR 23 HE1 TYR 23 12.779 -51.155 -12.202 209 HE2 TYR 23 HE2 TYR 23 14.914 -49.017 -9.244 210 HH TYR 23 HH TYR 23 14.613 -51.930 -11.259 211 H ASP 24 HN ASP 24 8.776 -45.024 -9.609 212 HA ASP 24 HA ASP 24 8.304 -42.596 -10.993 213 1HB ASP 24 HB1 ASP 24 7.321 -43.461 -8.237 214 2HB ASP 24 HB2 ASP 24 6.828 -41.999 -9.051 215 H GLY 25 HN GLY 25 9.973 -43.039 -7.859 216 1HA GLY 25 HA1 GLY 25 10.955 -40.430 -7.520 217 2HA GLY 25 HA2 GLY 25 11.780 -41.875 -6.988 218 H ALA 26 HN ALA 26 12.628 -43.080 -9.161 219 HA ALA 26 HA ALA 26 14.883 -41.646 -10.032 220 1HB ALA 26 HB2 ALA 26 14.847 -44.081 -9.967 221 2HB ALA 26 HB3 ALA 26 13.674 -44.120 -11.282 222 3HB ALA 26 HB1 ALA 26 15.299 -43.518 -11.569 223 OH TYR 27 OH TYR 27 13.387 -46.010 -17.050 224 H TYR 27 HN TYR 27 11.910 -42.267 -12.033 225 HA TYR 27 HA TYR 27 12.953 -40.672 -14.195 226 1HB TYR 27 HB1 TYR 27 10.262 -41.945 -13.703 227 2HB TYR 27 HB2 TYR 27 10.561 -40.932 -15.099 228 HD1 TYR 27 HD1 TYR 27 11.196 -44.182 -13.582 229 HD2 TYR 27 HD2 TYR 27 12.293 -41.651 -16.805 230 HE1 TYR 27 HE1 TYR 27 12.227 -46.106 -14.763 231 HE2 TYR 27 HE2 TYR 27 13.316 -43.556 -17.962 232 HH TYR 27 HH TYR 27 13.760 -45.733 -17.888 233 NH1 ARG 28 NH1 ARG 28 14.225 -32.086 -7.613 234 NH2 ARG 28 NH2 ARG 28 15.756 -33.655 -7.712 235 H ARG 28 HN ARG 28 13.414 -38.947 -12.492 236 HA ARG 28 HA ARG 28 11.289 -37.121 -11.814 237 1HB ARG 28 HB1 ARG 28 13.331 -37.530 -10.475 238 2HB ARG 28 HB2 ARG 28 14.271 -36.698 -11.702 239 1HG ARG 28 HG1 ARG 28 12.989 -34.603 -11.256 240 2HG ARG 28 HG2 ARG 28 12.037 -35.453 -10.038 241 1HD ARG 28 HD1 ARG 28 14.083 -35.912 -8.756 242 2HD ARG 28 HD2 ARG 28 15.040 -35.092 -9.997 243 HE ARG 28 HE ARG 28 12.943 -33.375 -8.983 244 1HH1 ARG 28 HH12 ARG 28 13.298 -31.784 -7.888 245 2HH1 ARG 28 HH11 ARG 28 14.817 -31.564 -7.019 246 1HH2 ARG 28 HH22 ARG 28 16.022 -34.529 -8.079 247 2HH2 ARG 28 HH21 ARG 28 16.356 -33.167 -7.078 248 H ASN 29 HN ASN 29 10.516 -37.059 -14.038 249 HA ASN 29 HA ASN 29 11.638 -34.959 -15.735 250 1HB ASN 29 HB1 ASN 29 10.302 -37.056 -16.473 251 2HB ASN 29 HB2 ASN 29 8.866 -36.202 -15.948 252 1HD2 ASN 29 HD21 ASN 29 8.797 -34.017 -18.643 253 2HD2 ASN 29 HD22 ASN 29 9.364 -33.523 -17.072 254 H ASP 30 HN ASP 30 9.591 -35.015 -13.010 255 HA ASP 30 HA ASP 30 7.668 -33.013 -13.687 256 1HB ASP 30 HB1 ASP 30 8.417 -34.034 -10.926 257 2HB ASP 30 HB2 ASP 30 6.916 -33.257 -11.393 258 H ASP 31 HN ASP 31 10.664 -32.058 -13.528 259 HA ASP 31 HA ASP 31 12.067 -30.585 -12.597 260 1HB ASP 31 HB1 ASP 31 11.438 -28.267 -12.896 261 2HB ASP 31 HB2 ASP 31 11.007 -29.290 -14.250 262 H GLU 32 HN GLU 32 9.241 -30.561 -10.563 263 HA GLU 32 HA GLU 32 10.131 -28.957 -8.436 264 1HB GLU 32 HB1 GLU 32 8.209 -31.310 -8.467 265 2HB GLU 32 HB2 GLU 32 8.292 -30.119 -7.184 266 1HG GLU 32 HG1 GLU 32 7.595 -28.331 -8.796 267 2HG GLU 32 HG2 GLU 32 7.490 -29.533 -10.073 268 H THR 33 HN THR 33 10.147 -29.917 -6.081 269 HA THR 33 HA THR 33 12.412 -31.742 -5.847 270 HB THR 33 HB THR 33 12.526 -29.666 -4.627 271 HG1 THR 33 HG1 THR 33 12.487 -31.634 -2.588 272 1HG2 THR 33 HG23 THR 33 10.205 -29.357 -3.825 273 2HG2 THR 33 HG21 THR 33 10.379 -30.786 -2.804 274 3HG2 THR 33 HG22 THR 33 11.375 -29.370 -2.507 275 H CYS 34 HN CYS 34 12.478 -33.363 -4.219 276 HA CYS 34 HA CYS 34 10.844 -35.480 -5.058 277 1HB CYS 34 HB1 CYS 34 12.712 -35.284 -2.669 278 2HB CYS 34 HB2 CYS 34 12.052 -36.782 -3.283 279 H GLU 35 HN GLU 35 10.890 -33.897 -1.940 280 HA GLU 35 HA GLU 35 8.946 -35.712 -0.801 281 1HB GLU 35 HB1 GLU 35 9.073 -34.300 1.270 282 2HB GLU 35 HB2 GLU 35 10.522 -35.125 0.791 283 1HG GLU 35 HG1 GLU 35 10.074 -32.155 0.247 284 2HG GLU 35 HG2 GLU 35 10.841 -32.763 1.703 285 H GLU 36 HN GLU 36 8.542 -32.604 -2.377 286 HA GLU 36 HA GLU 36 5.859 -32.304 -1.282 287 1HB GLU 36 HB1 GLU 36 7.561 -30.478 -2.426 288 2HB GLU 36 HB2 GLU 36 6.481 -30.792 -3.763 289 1HG GLU 36 HG1 GLU 36 5.639 -29.864 -0.972 290 2HG GLU 36 HG2 GLU 36 5.710 -28.857 -2.399 291 NH1 ARG 37 NH1 ARG 37 10.973 -37.857 -8.459 292 NH2 ARG 37 NH2 ARG 37 9.252 -37.698 -9.787 293 H ARG 37 HN ARG 37 7.194 -33.270 -4.495 294 HA ARG 37 HA ARG 37 4.688 -34.135 -5.475 295 1HB ARG 37 HB1 ARG 37 5.744 -35.246 -7.262 296 2HB ARG 37 HB2 ARG 37 6.463 -33.674 -7.025 297 1HG ARG 37 HG1 ARG 37 8.490 -34.660 -6.111 298 2HG ARG 37 HG2 ARG 37 7.780 -36.267 -6.127 299 1HD ARG 37 HD1 ARG 37 7.537 -36.090 -8.612 300 2HD ARG 37 HD2 ARG 37 8.405 -34.556 -8.548 301 HE ARG 37 HE ARG 37 10.267 -35.931 -7.432 302 1HH1 ARG 37 HH12 ARG 37 11.485 -37.533 -7.681 303 2HH1 ARG 37 HH11 ARG 37 11.306 -38.633 -8.996 304 1HH2 ARG 37 HH22 ARG 37 8.482 -37.179 -10.184 305 2HH2 ARG 37 HH21 ARG 37 9.542 -38.567 -10.182 306 H ALA 38 HN ALA 38 7.162 -36.063 -3.628 307 HA ALA 38 HA ALA 38 5.246 -38.205 -3.473 308 1HB ALA 38 HB2 ALA 38 7.990 -37.926 -2.369 309 2HB ALA 38 HB3 ALA 38 6.940 -39.340 -2.133 310 3HB ALA 38 HB1 ALA 38 7.345 -38.840 -3.768 311 H ALA 39 HN ALA 39 5.547 -35.398 -1.260 312 HA ALA 39 HA ALA 39 3.662 -36.489 0.518 313 1HB ALA 39 HB3 ALA 39 4.671 -34.277 0.856 314 2HB ALA 39 HB1 ALA 39 3.817 -33.653 -0.551 315 3HB ALA 39 HB2 ALA 39 2.911 -34.161 0.872 316 NH1 ARG 40 NH1 ARG 40 3.783 -30.510 -6.092 317 NH2 ARG 40 NH2 ARG 40 3.367 -31.860 -7.773 318 H ARG 40 HN ARG 40 3.153 -35.336 -2.820 319 HA ARG 40 HA ARG 40 0.364 -36.016 -2.832 320 1HB ARG 40 HB1 ARG 40 2.219 -36.000 -5.212 321 2HB ARG 40 HB2 ARG 40 0.462 -35.909 -5.252 322 1HG ARG 40 HG1 ARG 40 0.497 -33.691 -4.236 323 2HG ARG 40 HG2 ARG 40 2.219 -33.809 -3.923 324 1HD ARG 40 HD1 ARG 40 2.347 -34.127 -6.558 325 2HD ARG 40 HD2 ARG 40 0.804 -33.264 -6.501 326 HE ARG 40 HE ARG 40 2.401 -31.774 -4.829 327 1HH1 ARG 40 HH12 ARG 40 3.668 -30.282 -5.100 328 2HH1 ARG 40 HH11 ARG 40 4.363 -29.940 -6.698 329 1HH2 ARG 40 HH22 ARG 40 2.875 -32.638 -8.123 330 2HH2 ARG 40 HH21 ARG 40 4.005 -31.317 -8.343 331 H ILE 41 HN ILE 41 3.004 -38.055 -4.315 332 HA ILE 41 HA ILE 41 1.645 -40.363 -4.577 333 HB ILE 41 HB ILE 41 4.675 -40.251 -4.321 334 1HG1 ILE 41 HG11 ILE 41 3.872 -40.943 -6.887 335 2HG1 ILE 41 HG12 ILE 41 2.651 -39.748 -6.447 336 1HG2 ILE 41 HG22 ILE 41 2.994 -42.513 -5.122 337 2HG2 ILE 41 HG23 ILE 41 4.760 -42.199 -5.350 338 3HG2 ILE 41 HG21 ILE 41 4.067 -42.415 -3.712 339 1HD1 ILE 41 HD11 ILE 41 5.543 -39.336 -5.924 340 2HD1 ILE 41 HD12 ILE 41 4.795 -38.833 -7.476 341 3HD1 ILE 41 HD13 ILE 41 4.304 -38.114 -5.935 342 H LYS 42 HN LYS 42 0.526 -40.940 -3.388 343 HA LYS 42 HA LYS 42 0.610 -41.072 -0.477 344 1HB LYS 42 HB1 LYS 42 -1.220 -40.095 -2.106 345 2HB LYS 42 HB2 LYS 42 -1.781 -41.738 -2.208 346 1HG LYS 42 HG1 LYS 42 -3.102 -40.455 -0.628 347 2HG LYS 42 HG2 LYS 42 -2.286 -41.782 0.160 348 1HD LYS 42 HD1 LYS 42 -2.342 -39.822 1.577 349 2HD LYS 42 HD2 LYS 42 -0.705 -40.261 1.217 350 1HE LYS 42 HE1 LYS 42 -2.144 -38.011 -0.216 351 2HE LYS 42 HE2 LYS 42 -1.284 -37.772 1.298 352 1HZ LYS 42 HZ1 LYS 42 0.640 -38.916 0.096 353 2HZ LYS 42 HZ2 LYS 42 -0.162 -38.545 -1.352 354 3HZ LYS 42 HZ3 LYS 42 0.386 -37.301 -0.331 355 H ILE 43 HN ILE 43 1.308 -43.534 -2.615 356 HA ILE 43 HA ILE 43 -0.576 -45.523 -1.976 357 HB ILE 43 HB ILE 43 1.994 -45.523 -3.478 358 1HG1 ILE 43 HG11 ILE 43 0.451 -46.414 -5.315 359 2HG1 ILE 43 HG12 ILE 43 -0.876 -46.027 -4.252 360 1HG2 ILE 43 HG21 ILE 43 0.436 -48.067 -2.980 361 2HG2 ILE 43 HG22 ILE 43 1.705 -47.862 -4.186 362 3HG2 ILE 43 HG23 ILE 43 2.096 -47.744 -2.484 363 1HD1 ILE 43 HD11 ILE 43 1.130 -44.041 -5.377 364 2HD1 ILE 43 HD12 ILE 43 -0.518 -44.279 -5.944 365 3HD1 ILE 43 HD13 ILE 43 -0.236 -43.626 -4.338 366 H GLY 44 HN GLY 44 2.623 -45.055 -0.432 367 1HA GLY 44 HA1 GLY 44 1.630 -45.982 2.006 368 2HA GLY 44 HA2 GLY 44 2.423 -47.351 1.264 369 HA PRO 45 HA PRO 45 5.526 -44.620 3.891 370 1HB PRO 45 HB1 PRO 45 5.533 -47.311 5.297 371 2HB PRO 45 HB2 PRO 45 5.885 -45.697 5.945 372 1HG PRO 45 HG1 PRO 45 3.481 -46.684 6.361 373 2HG PRO 45 HG2 PRO 45 3.594 -45.015 5.764 374 1HD PRO 45 HD1 PRO 45 3.028 -47.551 4.195 375 2HD PRO 45 HD2 PRO 45 2.187 -45.985 4.150 376 H LYS 46 HN LYS 46 5.744 -48.035 3.041 377 HA LYS 46 HA LYS 46 8.547 -48.133 2.523 378 1HB LYS 46 HB1 LYS 46 6.857 -49.987 3.142 379 2HB LYS 46 HB2 LYS 46 6.458 -50.033 1.438 380 1HG LYS 46 HG1 LYS 46 8.706 -50.748 0.863 381 2HG LYS 46 HG2 LYS 46 9.275 -50.456 2.500 382 1HD LYS 46 HD1 LYS 46 7.696 -52.192 3.343 383 2HD LYS 46 HD2 LYS 46 7.182 -52.516 1.706 384 1HE LYS 46 HE1 LYS 46 10.024 -52.872 2.679 385 2HE LYS 46 HE2 LYS 46 8.821 -54.155 2.688 386 1HZ LYS 46 HZ1 LYS 46 8.544 -53.754 0.259 387 2HZ LYS 46 HZ2 LYS 46 9.866 -52.672 0.266 388 3HZ LYS 46 HZ3 LYS 46 10.089 -54.297 0.667 389 H CYS 47 HN CYS 47 5.802 -47.331 0.518 390 HA CYS 47 HA CYS 47 7.108 -47.218 -2.020 391 1HB CYS 47 HB1 CYS 47 4.699 -47.378 -1.929 392 2HB CYS 47 HB2 CYS 47 4.595 -45.945 -0.939 393 H VAL 48 HN VAL 48 6.062 -44.301 -0.003 394 HA VAL 48 HA VAL 48 7.679 -42.561 -1.022 395 HB VAL 48 HB VAL 48 7.886 -42.263 1.930 396 1HG1 VAL 48 HG12 VAL 48 8.067 -40.412 0.154 397 2HG1 VAL 48 HG13 VAL 48 6.405 -40.854 -0.293 398 3HG1 VAL 48 HG11 VAL 48 6.732 -40.097 1.276 399 1HG2 VAL 48 HG21 VAL 48 5.975 -43.536 2.009 400 2HG2 VAL 48 HG22 VAL 48 5.633 -41.856 2.450 401 3HG2 VAL 48 HG23 VAL 48 5.122 -42.484 0.878 402 H LYS 49 HN LYS 49 8.853 -44.843 1.435 403 HA LYS 49 HA LYS 49 11.531 -43.970 1.493 404 1HB LYS 49 HB1 LYS 49 10.443 -45.522 3.112 405 2HB LYS 49 HB2 LYS 49 10.562 -46.801 1.927 406 1HG LYS 49 HG1 LYS 49 12.328 -46.997 3.611 407 2HG LYS 49 HG2 LYS 49 13.014 -46.708 2.024 408 1HD LYS 49 HD1 LYS 49 13.458 -44.374 2.576 409 2HD LYS 49 HD2 LYS 49 12.602 -44.526 4.098 410 1HE LYS 49 HE1 LYS 49 15.038 -44.477 4.371 411 2HE LYS 49 HE2 LYS 49 14.343 -45.982 4.961 412 1HZ LYS 49 HZ2 LYS 49 15.452 -45.726 2.144 413 2HZ LYS 49 HZ3 LYS 49 16.359 -46.258 3.505 414 3HZ LYS 49 HZ1 LYS 49 14.983 -47.085 2.991 415 H ALA 50 HN ALA 50 10.364 -46.708 -0.591 416 HA ALA 50 HA ALA 50 12.608 -47.105 -2.273 417 1HB ALA 50 HB1 ALA 50 10.490 -48.427 -2.266 418 2HB ALA 50 HB2 ALA 50 9.660 -47.093 -3.026 419 3HB ALA 50 HB3 ALA 50 10.925 -47.964 -3.892 420 H PHE 51 HN PHE 51 9.935 -44.773 -2.696 421 HA PHE 51 HA PHE 51 10.763 -43.355 -4.946 422 1HB PHE 51 HB1 PHE 51 8.568 -43.288 -3.525 423 2HB PHE 51 HB2 PHE 51 9.377 -42.084 -2.559 424 HD1 PHE 51 HD1 PHE 51 7.162 -42.477 -5.289 425 HD2 PHE 51 HD2 PHE 51 10.314 -39.948 -3.928 426 HE1 PHE 51 HE1 PHE 51 6.618 -40.954 -6.950 427 HE2 PHE 51 HE2 PHE 51 9.787 -38.378 -5.730 428 HZ PHE 51 HZ PHE 51 7.986 -38.890 -7.319 429 H LYS 52 HN LYS 52 11.355 -42.336 -1.524 430 HA LYS 52 HA LYS 52 12.971 -40.159 -2.161 431 1HB LYS 52 HB1 LYS 52 12.184 -41.621 0.259 432 2HB LYS 52 HB2 LYS 52 13.805 -40.993 0.411 433 1HG LYS 52 HG1 LYS 52 11.484 -39.246 -0.456 434 2HG LYS 52 HG2 LYS 52 11.878 -39.513 1.233 435 1HD LYS 52 HD1 LYS 52 14.134 -38.611 0.877 436 2HD LYS 52 HD2 LYS 52 13.799 -38.354 -0.829 437 1HE LYS 52 HE1 LYS 52 11.996 -36.778 -0.208 438 2HE LYS 52 HE2 LYS 52 12.396 -37.013 1.494 439 1HZ LYS 52 HZ3 LYS 52 14.324 -36.086 -0.567 440 2HZ LYS 52 HZ1 LYS 52 13.519 -35.007 0.480 441 3HZ LYS 52 HZ2 LYS 52 14.615 -36.180 1.086 442 H ASP 53 HN ASP 53 14.059 -43.536 -1.501 443 HA ASP 53 HA ASP 53 16.841 -42.876 -1.633 444 1HB ASP 53 HB1 ASP 53 15.287 -45.457 -1.805 445 2HB ASP 53 HB2 ASP 53 17.020 -45.432 -2.088 446 H CYS 54 HN CYS 54 14.755 -44.289 -4.202 447 HA CYS 54 HA CYS 54 16.622 -43.906 -6.295 448 1HB CYS 54 HB1 CYS 54 13.681 -44.279 -6.119 449 2HB CYS 54 HB2 CYS 54 14.353 -43.776 -7.637 450 H CYS 55 HN CYS 55 14.257 -41.511 -4.976 451 HA CYS 55 HA CYS 55 14.862 -39.507 -6.857 452 1HB CYS 55 HB1 CYS 55 12.962 -39.680 -5.065 453 2HB CYS 55 HB2 CYS 55 14.078 -38.785 -4.059 454 OH TYR 56 OH TYR 56 17.715 -36.342 1.488 455 H TYR 56 HN TYR 56 16.528 -40.148 -3.711 456 HA TYR 56 HA TYR 56 18.525 -38.195 -4.038 457 1HB TYR 56 HB1 TYR 56 18.486 -40.836 -2.623 458 2HB TYR 56 HB2 TYR 56 20.028 -40.027 -2.836 459 HD1 TYR 56 HD1 TYR 56 16.709 -39.762 -1.220 460 HD2 TYR 56 HD2 TYR 56 20.470 -37.857 -1.740 461 HE1 TYR 56 HE1 TYR 56 16.241 -38.257 0.682 462 HE2 TYR 56 HE2 TYR 56 19.951 -36.323 0.102 463 HH TYR 56 HH TYR 56 18.443 -35.740 1.651 464 H ILE 57 HN ILE 57 18.581 -41.537 -5.387 465 HA ILE 57 HA ILE 57 20.834 -41.122 -7.048 466 HB ILE 57 HB ILE 57 18.391 -42.792 -7.653 467 1HG1 ILE 57 HG11 ILE 57 19.211 -43.636 -5.641 468 2HG1 ILE 57 HG12 ILE 57 19.818 -44.723 -6.867 469 1HG2 ILE 57 HG21 ILE 57 21.124 -43.040 -8.939 470 2HG2 ILE 57 HG22 ILE 57 19.816 -44.205 -9.107 471 3HG2 ILE 57 HG23 ILE 57 19.627 -42.581 -9.738 472 1HD1 ILE 57 HD12 ILE 57 22.036 -43.546 -6.761 473 2HD1 ILE 57 HD13 ILE 57 21.384 -42.532 -5.476 474 3HD1 ILE 57 HD11 ILE 57 21.582 -44.255 -5.214 475 H ALA 58 HN ALA 58 17.516 -40.434 -7.910 476 HA ALA 58 HA ALA 58 17.910 -39.185 -10.409 477 1HB ALA 58 HB3 ALA 58 15.685 -39.652 -9.554 478 2HB ALA 58 HB1 ALA 58 15.865 -38.375 -8.355 479 3HB ALA 58 HB2 ALA 58 15.839 -37.981 -10.068 480 H ASN 59 HN ASN 59 18.106 -37.503 -7.216 481 HA ASN 59 HA ASN 59 19.021 -35.016 -8.203 482 1HB ASN 59 HB1 ASN 59 19.513 -36.383 -5.548 483 2HB ASN 59 HB2 ASN 59 20.177 -34.799 -5.918 484 1HD2 ASN 59 HD21 ASN 59 16.428 -35.078 -4.730 485 2HD2 ASN 59 HD22 ASN 59 16.987 -36.505 -5.552 486 H GLN 60 HN GLN 60 21.046 -37.844 -7.298 487 HA GLN 60 HA GLN 60 23.520 -36.724 -8.098 488 1HB GLN 60 HB1 GLN 60 22.626 -39.612 -8.016 489 2HB GLN 60 HB2 GLN 60 24.282 -39.106 -8.306 490 1HG GLN 60 HG1 GLN 60 24.335 -37.991 -6.066 491 2HG GLN 60 HG2 GLN 60 22.672 -38.486 -5.789 492 1HE2 GLN 60 HE21 GLN 60 25.522 -41.367 -5.554 493 2HE2 GLN 60 HE22 GLN 60 25.886 -39.965 -6.513 494 H VAL 61 HN VAL 61 21.237 -38.668 -10.081 495 HA VAL 61 HA VAL 61 22.614 -38.336 -12.534 496 HB VAL 61 HB VAL 61 19.664 -38.775 -12.033 497 1HG1 VAL 61 HG11 VAL 61 21.167 -39.108 -14.658 498 2HG1 VAL 61 HG12 VAL 61 19.506 -39.610 -14.359 499 3HG1 VAL 61 HG13 VAL 61 19.920 -37.906 -14.348 500 1HG2 VAL 61 HG23 VAL 61 21.892 -40.697 -12.803 501 2HG2 VAL 61 HG21 VAL 61 21.091 -40.611 -11.237 502 3HG2 VAL 61 HG22 VAL 61 20.189 -41.126 -12.656 503 NH1 ARG 62 NH1 ARG 62 15.069 -35.010 -15.631 504 NH2 ARG 62 NH2 ARG 62 17.238 -34.840 -15.878 505 H ARG 62 HN ARG 62 19.993 -36.185 -11.205 506 HA ARG 62 HA ARG 62 20.237 -34.292 -13.290 507 1HB ARG 62 HB1 ARG 62 18.860 -34.367 -10.676 508 2HB ARG 62 HB2 ARG 62 19.196 -32.770 -11.311 509 1HG ARG 62 HG1 ARG 62 16.966 -33.511 -11.994 510 2HG ARG 62 HG2 ARG 62 17.999 -33.289 -13.384 511 1HD ARG 62 HD1 ARG 62 18.303 -35.734 -13.577 512 2HD ARG 62 HD2 ARG 62 17.326 -35.971 -12.142 513 HE ARG 62 HE ARG 62 15.378 -35.335 -13.438 514 1HH1 ARG 62 HH12 ARG 62 14.281 -35.170 -15.010 515 2HH1 ARG 62 HH11 ARG 62 14.965 -34.842 -16.597 516 1HH2 ARG 62 HH22 ARG 62 18.179 -34.848 -15.513 517 2HH2 ARG 62 HH21 ARG 62 17.083 -34.675 -16.836 518 H ALA 63 HN ALA 63 22.214 -34.435 -10.319 519 HA ALA 63 HA ALA 63 23.713 -32.113 -10.854 520 1HB ALA 63 HB2 ALA 63 23.938 -33.425 -8.797 521 2HB ALA 63 HB3 ALA 63 24.621 -34.773 -9.704 522 3HB ALA 63 HB1 ALA 63 25.509 -33.254 -9.577 523 H GLU 64 HN GLU 64 23.856 -35.220 -12.498 524 HA GLU 64 HA GLU 64 26.126 -34.439 -14.178 525 1HB GLU 64 HB1 GLU 64 24.314 -36.879 -14.333 526 2HB GLU 64 HB2 GLU 64 25.822 -36.655 -15.207 527 1HG GLU 64 HG1 GLU 64 27.110 -36.781 -13.117 528 2HG GLU 64 HG2 GLU 64 25.632 -36.813 -12.163 529 H GLN 65 HN GLN 65 22.623 -35.155 -14.698 530 HA GLN 65 HA GLN 65 22.545 -33.179 -16.853 531 1HB GLN 65 HB1 GLN 65 23.321 -35.576 -17.716 532 2HB GLN 65 HB2 GLN 65 21.628 -35.967 -17.565 533 1HG GLN 65 HG1 GLN 65 21.952 -35.345 -19.845 534 2HG GLN 65 HG2 GLN 65 21.130 -33.989 -19.120 535 1HE2 GLN 65 HE21 GLN 65 24.832 -32.652 -19.497 536 2HE2 GLN 65 HE22 GLN 65 24.454 -33.572 -18.077 Start of MODEL 21 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 19.136 -41.562 0.424 2 2H MET 1 HT2 MET 1 19.855 -40.061 0.051 3 3H MET 1 HT1 MET 1 20.589 -41.501 -0.457 4 HA MET 1 HA MET 1 21.791 -40.683 1.401 5 1HB MET 1 HB1 MET 1 19.054 -40.561 2.685 6 2HB MET 1 HB2 MET 1 20.538 -40.491 3.613 7 1HG MET 1 HG1 MET 1 21.207 -38.434 2.407 8 2HG MET 1 HG2 MET 1 19.732 -38.500 1.463 9 1HE MET 1 HE1 MET 1 21.100 -38.331 5.187 10 2HE MET 1 HE2 MET 1 21.362 -36.789 4.342 11 3HE MET 1 HE3 MET 1 20.230 -36.890 5.680 12 H LEU 2 HN LEU 2 19.102 -43.029 1.905 13 HA LEU 2 HA LEU 2 20.910 -44.757 3.421 14 1HB LEU 2 HB1 LEU 2 17.941 -44.954 3.008 15 2HB LEU 2 HB2 LEU 2 18.891 -46.167 3.828 16 HG LEU 2 HG LEU 2 19.646 -44.053 5.302 17 1HD1 LEU 2 HD13 LEU 2 16.846 -43.299 4.411 18 2HD1 LEU 2 HD11 LEU 2 17.740 -42.550 5.732 19 3HD1 LEU 2 HD12 LEU 2 18.311 -42.388 4.079 20 1HD2 LEU 2 HD22 LEU 2 18.625 -46.096 6.191 21 2HD2 LEU 2 HD23 LEU 2 17.904 -44.674 6.933 22 3HD2 LEU 2 HD21 LEU 2 17.033 -45.545 5.674 23 H GLN 3 HN GLN 3 22.224 -45.629 2.150 24 HA GLN 3 HA GLN 3 22.041 -46.805 -0.329 25 1HB GLN 3 HB1 GLN 3 24.119 -46.350 0.967 26 2HB GLN 3 HB2 GLN 3 23.775 -47.734 1.987 27 1HG GLN 3 HG1 GLN 3 23.941 -49.221 -0.062 28 2HG GLN 3 HG2 GLN 3 24.327 -47.799 -1.014 29 1HE2 GLN 3 HE21 GLN 3 27.205 -49.364 1.343 30 2HE2 GLN 3 HE22 GLN 3 25.577 -49.930 1.550 31 H LYS 4 HN LYS 4 21.589 -48.564 2.774 32 HA LYS 4 HA LYS 4 20.705 -50.955 1.569 33 1HB LYS 4 HB1 LYS 4 20.703 -49.959 4.372 34 2HB LYS 4 HB2 LYS 4 19.683 -51.328 3.967 35 1HG LYS 4 HG1 LYS 4 21.838 -52.267 2.774 36 2HG LYS 4 HG2 LYS 4 22.686 -51.104 3.774 37 1HD LYS 4 HD1 LYS 4 22.172 -52.206 5.750 38 2HD LYS 4 HD2 LYS 4 20.707 -52.927 5.113 39 1HE LYS 4 HE1 LYS 4 23.484 -53.751 4.235 40 2HE LYS 4 HE2 LYS 4 22.584 -54.543 5.524 41 1HZ LYS 4 HZ3 LYS 4 20.719 -54.902 3.903 42 2HZ LYS 4 HZ1 LYS 4 21.722 -54.301 2.631 43 3HZ LYS 4 HZ2 LYS 4 22.158 -55.699 3.476 44 H LYS 5 HN LYS 5 18.827 -48.050 1.811 45 HA LYS 5 HA LYS 5 16.384 -49.596 1.442 46 1HB LYS 5 HB1 LYS 5 16.731 -46.626 1.531 47 2HB LYS 5 HB2 LYS 5 15.215 -47.461 1.260 48 1HG LYS 5 HG1 LYS 5 16.930 -47.940 3.720 49 2HG LYS 5 HG2 LYS 5 15.694 -46.715 3.652 50 1HD LYS 5 HD1 LYS 5 14.272 -48.242 4.443 51 2HD LYS 5 HD2 LYS 5 14.312 -48.999 2.877 52 1HE LYS 5 HE1 LYS 5 16.318 -49.785 4.983 53 2HE LYS 5 HE2 LYS 5 14.680 -50.412 5.037 54 1HZ LYS 5 HZ3 LYS 5 15.073 -51.017 2.544 55 2HZ LYS 5 HZ1 LYS 5 16.730 -50.857 2.894 56 3HZ LYS 5 HZ2 LYS 5 15.816 -51.968 3.761 57 H ILE 6 HN ILE 6 18.358 -47.467 -0.743 58 HA ILE 6 HA ILE 6 16.858 -48.588 -2.935 59 HB ILE 6 HB ILE 6 19.099 -48.103 -4.320 60 1HG1 ILE 6 HG11 ILE 6 19.504 -45.578 -3.701 61 2HG1 ILE 6 HG12 ILE 6 19.246 -46.184 -2.083 62 1HG2 ILE 6 HG22 ILE 6 16.707 -46.336 -4.008 63 2HG2 ILE 6 HG23 ILE 6 17.909 -46.179 -5.269 64 3HG2 ILE 6 HG21 ILE 6 16.918 -47.608 -5.185 65 1HD1 ILE 6 HD11 ILE 6 21.286 -47.272 -4.057 66 2HD1 ILE 6 HD12 ILE 6 21.635 -46.241 -2.676 67 3HD1 ILE 6 HD13 ILE 6 21.032 -47.876 -2.421 68 H GLU 7 HN GLU 7 19.883 -49.778 -1.400 69 HA GLU 7 HA GLU 7 20.171 -51.982 -3.157 70 1HB GLU 7 HB1 GLU 7 21.972 -51.253 -1.746 71 2HB GLU 7 HB2 GLU 7 21.083 -51.631 -0.308 72 1HG GLU 7 HG1 GLU 7 21.752 -53.877 -2.216 73 2HG GLU 7 HG2 GLU 7 23.013 -53.230 -1.192 74 H GLU 8 HN GLU 8 18.474 -52.189 0.167 75 HA GLU 8 HA GLU 8 17.728 -54.836 -0.662 76 1HB GLU 8 HB1 GLU 8 17.076 -53.219 1.799 77 2HB GLU 8 HB2 GLU 8 16.267 -54.757 1.491 78 1HG GLU 8 HG1 GLU 8 18.650 -55.750 1.168 79 2HG GLU 8 HG2 GLU 8 19.243 -54.262 1.861 80 H GLU 9 HN GLU 9 15.907 -51.767 -1.051 81 HA GLU 9 HA GLU 9 13.577 -53.344 -1.816 82 1HB GLU 9 HB1 GLU 9 14.154 -50.418 -1.633 83 2HB GLU 9 HB2 GLU 9 12.793 -50.973 -2.590 84 1HG GLU 9 HG1 GLU 9 12.135 -50.376 -0.249 85 2HG GLU 9 HG2 GLU 9 11.765 -52.038 -0.639 86 H ALA 10 HN ALA 10 15.784 -51.194 -3.801 87 HA ALA 10 HA ALA 10 14.806 -52.552 -6.168 88 1HB ALA 10 HB1 ALA 10 16.974 -50.484 -5.767 89 2HB ALA 10 HB2 ALA 10 16.424 -51.070 -7.337 90 3HB ALA 10 HB3 ALA 10 15.303 -50.207 -6.279 91 H ALA 11 HN ALA 11 17.538 -53.713 -4.141 92 HA ALA 11 HA ALA 11 18.188 -55.525 -6.297 93 1HB ALA 11 HB2 ALA 11 18.685 -55.759 -3.305 94 2HB ALA 11 HB3 ALA 11 19.329 -56.874 -4.530 95 3HB ALA 11 HB1 ALA 11 19.815 -55.181 -4.522 96 H LYS 12 HN LYS 12 16.238 -55.970 -3.326 97 HA LYS 12 HA LYS 12 15.254 -58.530 -4.251 98 1HB LYS 12 HB1 LYS 12 14.908 -56.979 -1.713 99 2HB LYS 12 HB2 LYS 12 13.902 -58.366 -2.054 100 1HG LYS 12 HG1 LYS 12 15.908 -59.810 -2.264 101 2HG LYS 12 HG2 LYS 12 16.944 -58.431 -1.948 102 1HD LYS 12 HD1 LYS 12 14.813 -59.289 0.031 103 2HD LYS 12 HD2 LYS 12 16.400 -60.034 0.024 104 1HE LYS 12 HE1 LYS 12 17.487 -57.991 0.555 105 2HE LYS 12 HE2 LYS 12 16.050 -57.036 0.217 106 1HZ LYS 12 HZ1 LYS 12 16.281 -59.047 2.378 107 2HZ LYS 12 HZ2 LYS 12 16.382 -57.370 2.633 108 3HZ LYS 12 HZ3 LYS 12 14.888 -58.108 2.084 109 OH TYR 13 OH TYR 13 14.792 -53.177 -11.241 110 H TYR 13 HN TYR 13 14.523 -57.396 -6.110 111 HA TYR 13 HA TYR 13 12.170 -56.084 -6.579 112 1HB TYR 13 HB1 TYR 13 13.653 -58.284 -7.978 113 2HB TYR 13 HB2 TYR 13 12.056 -57.896 -8.563 114 HD1 TYR 13 HD1 TYR 13 14.413 -55.164 -7.256 115 HD2 TYR 13 HD2 TYR 13 12.746 -57.124 -10.680 116 HE1 TYR 13 HE1 TYR 13 15.243 -53.423 -8.694 117 HE2 TYR 13 HE2 TYR 13 13.558 -55.277 -12.088 118 HH TYR 13 HH TYR 13 15.078 -52.424 -10.671 119 H LYS 14 HN LYS 14 12.223 -59.200 -5.068 120 HA LYS 14 HA LYS 14 9.506 -59.900 -5.202 121 1HB LYS 14 HB1 LYS 14 11.461 -60.165 -2.885 122 2HB LYS 14 HB2 LYS 14 9.924 -60.989 -2.992 123 1HG LYS 14 HG1 LYS 14 12.208 -61.410 -4.953 124 2HG LYS 14 HG2 LYS 14 11.896 -62.420 -3.558 125 1HD LYS 14 HD1 LYS 14 9.676 -63.023 -4.492 126 2HD LYS 14 HD2 LYS 14 10.006 -62.035 -5.908 127 1HE LYS 14 HE1 LYS 14 11.972 -63.435 -6.438 128 2HE LYS 14 HE2 LYS 14 11.626 -64.442 -5.031 129 1HZ LYS 14 HZ3 LYS 14 9.440 -64.902 -5.946 130 2HZ LYS 14 HZ1 LYS 14 9.772 -63.939 -7.293 131 3HZ LYS 14 HZ2 LYS 14 10.637 -65.373 -7.047 132 OH TYR 15 OH TYR 15 13.367 -58.243 2.243 133 H TYR 15 HN TYR 15 10.998 -57.237 -3.304 134 HA TYR 15 HA TYR 15 8.475 -56.640 -1.951 135 1HB TYR 15 HB1 TYR 15 10.933 -54.898 -2.221 136 2HB TYR 15 HB2 TYR 15 9.631 -54.686 -1.077 137 HD1 TYR 15 HD1 TYR 15 12.582 -54.810 -0.495 138 HD2 TYR 15 HD2 TYR 15 9.654 -57.882 -0.327 139 HE1 TYR 15 HE1 TYR 15 13.927 -55.988 1.153 140 HE2 TYR 15 HE2 TYR 15 11.011 -59.059 1.343 141 HH TYR 15 HH TYR 15 12.900 -59.028 2.551 142 H ALA 16 HN ALA 16 7.487 -56.808 -4.113 143 HA ALA 16 HA ALA 16 8.282 -55.510 -6.396 144 1HB ALA 16 HB2 ALA 16 5.544 -56.600 -5.696 145 2HB ALA 16 HB3 ALA 16 6.084 -56.219 -7.329 146 3HB ALA 16 HB1 ALA 16 6.897 -57.474 -6.405 147 H MET 17 HN MET 17 5.442 -54.454 -4.536 148 HA MET 17 HA MET 17 4.937 -52.086 -6.044 149 1HB MET 17 HB1 MET 17 3.253 -53.348 -4.721 150 2HB MET 17 HB2 MET 17 4.051 -52.864 -3.244 151 1HG MET 17 HG1 MET 17 2.082 -51.515 -3.537 152 2HG MET 17 HG2 MET 17 3.473 -50.480 -3.740 153 1HE MET 17 HE3 MET 17 4.045 -49.150 -5.761 154 2HE MET 17 HE1 MET 17 2.813 -48.733 -6.934 155 3HE MET 17 HE2 MET 17 2.517 -48.422 -5.228 156 H LEU 18 HN LEU 18 7.001 -52.701 -3.275 157 HA LEU 18 HA LEU 18 7.291 -49.898 -2.551 158 1HB LEU 18 HB1 LEU 18 8.763 -52.341 -1.510 159 2HB LEU 18 HB2 LEU 18 8.769 -50.741 -0.789 160 HG LEU 18 HG LEU 18 6.324 -52.526 -1.058 161 1HD1 LEU 18 HD11 LEU 18 7.984 -51.858 1.379 162 2HD1 LEU 18 HD12 LEU 18 6.479 -52.771 1.384 163 3HD1 LEU 18 HD13 LEU 18 7.899 -53.420 0.574 164 1HD2 LEU 18 HD21 LEU 18 6.646 -49.860 0.339 165 2HD2 LEU 18 HD22 LEU 18 5.695 -50.151 -1.110 166 3HD2 LEU 18 HD23 LEU 18 5.208 -50.883 0.418 167 H LYS 19 HN LYS 19 9.405 -52.365 -4.032 168 HA LYS 19 HA LYS 19 11.356 -50.543 -4.942 169 1HB LYS 19 HB1 LYS 19 11.743 -52.918 -5.077 170 2HB LYS 19 HB2 LYS 19 10.218 -53.233 -5.848 171 1HG LYS 19 HG1 LYS 19 12.369 -51.758 -7.354 172 2HG LYS 19 HG2 LYS 19 12.494 -53.481 -7.125 173 1HD LYS 19 HD1 LYS 19 10.194 -52.092 -8.541 174 2HD LYS 19 HD2 LYS 19 11.556 -52.832 -9.322 175 1HE LYS 19 HE1 LYS 19 10.628 -54.838 -9.324 176 2HE LYS 19 HE2 LYS 19 10.325 -54.795 -7.598 177 1HZ LYS 19 HZ1 LYS 19 8.658 -53.376 -9.594 178 2HZ LYS 19 HZ2 LYS 19 8.289 -54.910 -8.986 179 3HZ LYS 19 HZ3 LYS 19 8.289 -53.574 -7.935 180 H LYS 20 HN LYS 20 8.165 -51.381 -6.531 181 HA LYS 20 HA LYS 20 8.615 -49.605 -8.705 182 1HB LYS 20 HB1 LYS 20 6.783 -51.464 -8.338 183 2HB LYS 20 HB2 LYS 20 5.844 -50.176 -7.625 184 1HG LYS 20 HG1 LYS 20 7.049 -49.623 -10.311 185 2HG LYS 20 HG2 LYS 20 5.777 -50.812 -10.256 186 1HD LYS 20 HD1 LYS 20 4.143 -49.282 -9.596 187 2HD LYS 20 HD2 LYS 20 5.301 -48.125 -8.974 188 1HE LYS 20 HE1 LYS 20 5.264 -48.803 -11.923 189 2HE LYS 20 HE2 LYS 20 4.119 -47.644 -11.250 190 1HZ LYS 20 HZ2 LYS 20 6.997 -47.472 -10.633 191 2HZ LYS 20 HZ3 LYS 20 6.410 -46.676 -12.034 192 3HZ LYS 20 HZ1 LYS 20 5.849 -46.256 -10.426 193 H CYS 21 HN CYS 21 7.184 -48.908 -5.413 194 HA CYS 21 HA CYS 21 6.813 -46.170 -5.738 195 1HB CYS 21 HB1 CYS 21 6.216 -47.713 -3.826 196 2HB CYS 21 HB2 CYS 21 7.865 -47.528 -3.258 197 H CYS 22 HN CYS 22 9.916 -47.734 -4.690 198 HA CYS 22 HA CYS 22 11.856 -45.726 -5.080 199 1HB CYS 22 HB1 CYS 22 12.035 -48.297 -4.706 200 2HB CYS 22 HB2 CYS 22 12.303 -48.269 -6.402 201 OH TYR 23 OH TYR 23 15.255 -51.033 -9.802 202 H TYR 23 HN TYR 23 10.493 -47.553 -7.697 203 HA TYR 23 HA TYR 23 11.788 -45.815 -9.529 204 1HB TYR 23 HB1 TYR 23 9.865 -48.031 -9.950 205 2HB TYR 23 HB2 TYR 23 10.826 -47.252 -11.196 206 HD1 TYR 23 HD1 TYR 23 13.135 -47.441 -8.141 207 HD2 TYR 23 HD2 TYR 23 11.088 -49.918 -11.022 208 HE1 TYR 23 HE1 TYR 23 15.047 -48.827 -8.358 209 HE2 TYR 23 HE2 TYR 23 13.088 -51.387 -11.114 210 HH TYR 23 HH TYR 23 15.969 -50.645 -9.289 211 H ASP 24 HN ASP 24 8.463 -45.703 -8.346 212 HA ASP 24 HA ASP 24 7.596 -43.407 -9.716 213 1HB ASP 24 HB1 ASP 24 7.082 -43.976 -6.788 214 2HB ASP 24 HB2 ASP 24 6.251 -42.814 -7.790 215 H GLY 25 HN GLY 25 9.714 -43.424 -6.832 216 1HA GLY 25 HA1 GLY 25 10.399 -40.665 -6.935 217 2HA GLY 25 HA2 GLY 25 11.410 -41.919 -6.257 218 H ALA 26 HN ALA 26 12.034 -43.381 -8.497 219 HA ALA 26 HA ALA 26 14.068 -41.908 -9.771 220 1HB ALA 26 HB1 ALA 26 14.226 -44.321 -9.526 221 2HB ALA 26 HB2 ALA 26 12.909 -44.533 -10.683 222 3HB ALA 26 HB3 ALA 26 14.433 -43.843 -11.207 223 OH TYR 27 OH TYR 27 7.022 -46.162 -13.262 224 H TYR 27 HN TYR 27 10.724 -42.418 -11.077 225 HA TYR 27 HA TYR 27 11.167 -40.945 -13.445 226 1HB TYR 27 HB1 TYR 27 8.717 -40.550 -11.729 227 2HB TYR 27 HB2 TYR 27 8.850 -40.292 -13.450 228 HD1 TYR 27 HD1 TYR 27 6.862 -41.954 -11.764 229 HD2 TYR 27 HD2 TYR 27 10.208 -43.089 -14.129 230 HE1 TYR 27 HE1 TYR 27 5.927 -44.209 -12.014 231 HE2 TYR 27 HE2 TYR 27 9.262 -45.327 -14.378 232 HH TYR 27 HH TYR 27 7.551 -46.674 -13.885 233 NH1 ARG 28 NH1 ARG 28 12.335 -33.064 -9.838 234 NH2 ARG 28 NH2 ARG 28 14.011 -33.770 -8.625 235 H ARG 28 HN ARG 28 12.894 -39.478 -12.717 236 HA ARG 28 HA ARG 28 12.532 -37.188 -11.202 237 1HB ARG 28 HB1 ARG 28 14.656 -38.068 -12.193 238 2HB ARG 28 HB2 ARG 28 14.145 -37.461 -13.740 239 1HG ARG 28 HG1 ARG 28 15.840 -36.040 -12.689 240 2HG ARG 28 HG2 ARG 28 14.372 -35.173 -13.037 241 1HD ARG 28 HD1 ARG 28 14.574 -36.245 -10.257 242 2HD ARG 28 HD2 ARG 28 15.754 -35.017 -10.664 243 HE ARG 28 HE ARG 28 13.229 -34.094 -11.613 244 1HH1 ARG 28 HH12 ARG 28 11.940 -33.029 -10.755 245 2HH1 ARG 28 HH11 ARG 28 11.939 -32.544 -9.053 246 1HH2 ARG 28 HH22 ARG 28 14.911 -34.220 -8.546 247 2HH2 ARG 28 HH21 ARG 28 13.609 -33.275 -7.870 248 H ASN 29 HN ASN 29 10.802 -35.956 -11.321 249 HA ASN 29 HA ASN 29 9.560 -34.874 -13.644 250 1HB ASN 29 HB1 ASN 29 8.391 -35.051 -11.508 251 2HB ASN 29 HB2 ASN 29 9.582 -34.051 -10.707 252 1HD2 ASN 29 HD21 ASN 29 6.258 -33.077 -11.752 253 2HD2 ASN 29 HD22 ASN 29 6.881 -33.063 -13.385 254 H ASP 30 HN ASP 30 9.634 -32.773 -14.455 255 HA ASP 30 HA ASP 30 12.020 -31.463 -14.945 256 1HB ASP 30 HB1 ASP 30 10.423 -29.540 -15.655 257 2HB ASP 30 HB2 ASP 30 10.222 -31.099 -16.437 258 H ASP 31 HN ASP 31 9.685 -30.486 -12.369 259 HA ASP 31 HA ASP 31 11.720 -28.581 -11.374 260 1HB ASP 31 HB1 ASP 31 8.912 -27.886 -12.266 261 2HB ASP 31 HB2 ASP 31 9.762 -26.885 -11.093 262 H GLU 32 HN GLU 32 9.093 -30.741 -10.439 263 HA GLU 32 HA GLU 32 8.677 -29.660 -7.811 264 1HB GLU 32 HB1 GLU 32 8.092 -32.402 -8.949 265 2HB GLU 32 HB2 GLU 32 7.555 -31.843 -7.374 266 1HG GLU 32 HG1 GLU 32 6.161 -30.097 -8.403 267 2HG GLU 32 HG2 GLU 32 6.736 -30.542 -10.007 268 H THR 33 HN THR 33 9.144 -30.735 -5.760 269 HA THR 33 HA THR 33 11.747 -32.156 -5.823 270 HB THR 33 HB THR 33 12.024 -30.055 -4.765 271 HG1 THR 33 HG1 THR 33 12.936 -30.949 -2.814 272 1HG2 THR 33 HG23 THR 33 9.828 -29.698 -3.661 273 2HG2 THR 33 HG21 THR 33 10.201 -31.021 -2.552 274 3HG2 THR 33 HG22 THR 33 11.177 -29.560 -2.537 275 H CYS 34 HN CYS 34 12.158 -33.539 -3.917 276 HA CYS 34 HA CYS 34 10.683 -35.881 -4.568 277 1HB CYS 34 HB1 CYS 34 12.799 -35.466 -2.430 278 2HB CYS 34 HB2 CYS 34 12.225 -37.020 -2.988 279 H GLU 35 HN GLU 35 11.061 -34.319 -1.429 280 HA GLU 35 HA GLU 35 9.165 -36.015 -0.090 281 1HB GLU 35 HB1 GLU 35 11.232 -35.003 0.900 282 2HB GLU 35 HB2 GLU 35 10.481 -33.421 0.816 283 1HG GLU 35 HG1 GLU 35 8.851 -33.997 2.500 284 2HG GLU 35 HG2 GLU 35 9.245 -35.705 2.407 285 H GLU 36 HN GLU 36 8.748 -33.074 -1.876 286 HA GLU 36 HA GLU 36 6.129 -32.350 -0.889 287 1HB GLU 36 HB1 GLU 36 7.611 -30.792 -1.995 288 2HB GLU 36 HB2 GLU 36 7.748 -31.821 -3.401 289 1HG GLU 36 HG1 GLU 36 5.246 -31.292 -3.846 290 2HG GLU 36 HG2 GLU 36 5.409 -30.060 -2.615 291 NH1 ARG 37 NH1 ARG 37 10.401 -37.645 -8.169 292 NH2 ARG 37 NH2 ARG 37 8.776 -37.472 -9.606 293 H ARG 37 HN ARG 37 7.258 -34.021 -3.834 294 HA ARG 37 HA ARG 37 4.835 -35.180 -4.682 295 1HB ARG 37 HB1 ARG 37 7.643 -36.275 -4.919 296 2HB ARG 37 HB2 ARG 37 6.244 -36.946 -5.730 297 1HG ARG 37 HG1 ARG 37 5.969 -34.527 -6.722 298 2HG ARG 37 HG2 ARG 37 7.649 -34.332 -6.239 299 1HD ARG 37 HD1 ARG 37 6.596 -36.531 -8.029 300 2HD ARG 37 HD2 ARG 37 7.373 -35.058 -8.601 301 HE ARG 37 HE ARG 37 9.143 -36.245 -6.772 302 1HH1 ARG 37 HH12 ARG 37 10.834 -37.408 -7.313 303 2HH1 ARG 37 HH11 ARG 37 10.837 -38.266 -8.815 304 1HH2 ARG 37 HH22 ARG 37 7.876 -37.147 -9.841 305 2HH2 ARG 37 HH21 ARG 37 9.334 -38.043 -10.245 306 H ALA 38 HN ALA 38 7.295 -36.680 -2.491 307 HA ALA 38 HA ALA 38 5.323 -38.690 -1.822 308 1HB ALA 38 HB2 ALA 38 8.220 -38.482 -1.266 309 2HB ALA 38 HB3 ALA 38 7.163 -39.808 -0.723 310 3HB ALA 38 HB1 ALA 38 7.277 -39.451 -2.452 311 H ALA 39 HN ALA 39 5.790 -35.626 -0.192 312 HA ALA 39 HA ALA 39 4.154 -36.505 1.930 313 1HB ALA 39 HB1 ALA 39 5.024 -34.211 1.780 314 2HB ALA 39 HB2 ALA 39 4.026 -33.902 0.364 315 3HB ALA 39 HB3 ALA 39 3.268 -34.193 1.931 316 NH1 ARG 40 NH1 ARG 40 4.079 -32.840 -5.707 317 NH2 ARG 40 NH2 ARG 40 2.174 -32.860 -6.695 318 H ARG 40 HN ARG 40 3.231 -35.662 -1.453 319 HA ARG 40 HA ARG 40 0.523 -36.526 -1.108 320 1HB ARG 40 HB1 ARG 40 2.215 -36.173 -3.574 321 2HB ARG 40 HB2 ARG 40 0.529 -36.658 -3.651 322 1HG ARG 40 HG1 ARG 40 -0.203 -34.596 -2.621 323 2HG ARG 40 HG2 ARG 40 1.438 -34.133 -2.217 324 1HD ARG 40 HD1 ARG 40 0.552 -34.511 -5.078 325 2HD ARG 40 HD2 ARG 40 0.363 -32.972 -4.233 326 HE ARG 40 HE ARG 40 3.012 -33.721 -3.808 327 1HH1 ARG 40 HH12 ARG 40 4.666 -32.999 -4.931 328 2HH1 ARG 40 HH11 ARG 40 4.397 -32.481 -6.605 329 1HH2 ARG 40 HH22 ARG 40 1.203 -33.036 -6.706 330 2HH2 ARG 40 HH21 ARG 40 2.685 -32.509 -7.479 331 H ILE 41 HN ILE 41 3.193 -38.479 -2.588 332 HA ILE 41 HA ILE 41 1.823 -40.911 -2.369 333 HB ILE 41 HB ILE 41 4.831 -40.674 -2.789 334 1HG1 ILE 41 HG11 ILE 41 3.606 -41.584 -5.101 335 2HG1 ILE 41 HG12 ILE 41 2.430 -40.395 -4.518 336 1HG2 ILE 41 HG23 ILE 41 3.052 -42.989 -3.041 337 2HG2 ILE 41 HG21 ILE 41 4.748 -42.714 -3.646 338 3HG2 ILE 41 HG22 ILE 41 4.380 -42.780 -1.886 339 1HD1 ILE 41 HD11 ILE 41 5.332 -39.844 -4.519 340 2HD1 ILE 41 HD12 ILE 41 4.336 -39.505 -5.981 341 3HD1 ILE 41 HD13 ILE 41 4.039 -38.678 -4.443 342 H LYS 42 HN LYS 42 1.064 -41.110 -0.753 343 HA LYS 42 HA LYS 42 2.112 -41.082 2.002 344 1HB LYS 42 HB1 LYS 42 -0.688 -41.431 0.903 345 2HB LYS 42 HB2 LYS 42 -0.323 -41.474 2.615 346 1HG LYS 42 HG1 LYS 42 0.455 -39.190 2.606 347 2HG LYS 42 HG2 LYS 42 0.341 -39.088 0.868 348 1HD LYS 42 HD1 LYS 42 -2.032 -39.513 2.706 349 2HD LYS 42 HD2 LYS 42 -1.517 -37.952 2.123 350 1HE LYS 42 HE1 LYS 42 -2.504 -40.224 0.361 351 2HE LYS 42 HE2 LYS 42 -3.459 -38.852 0.888 352 1HZ LYS 42 HZ3 LYS 42 -1.799 -37.398 -0.153 353 2HZ LYS 42 HZ1 LYS 42 -0.969 -38.730 -0.814 354 3HZ LYS 42 HZ2 LYS 42 -2.570 -38.397 -1.283 355 H ILE 43 HN ILE 43 2.099 -43.620 -0.128 356 HA ILE 43 HA ILE 43 0.166 -45.396 0.892 357 HB ILE 43 HB ILE 43 2.497 -45.913 -0.933 358 1HG1 ILE 43 HG11 ILE 43 1.129 -44.240 -1.945 359 2HG1 ILE 43 HG12 ILE 43 0.952 -45.736 -2.814 360 1HG2 ILE 43 HG21 ILE 43 0.087 -47.693 -0.546 361 2HG2 ILE 43 HG22 ILE 43 1.263 -47.852 -1.848 362 3HG2 ILE 43 HG23 ILE 43 1.761 -48.085 -0.184 363 1HD1 ILE 43 HD13 ILE 43 -1.279 -46.092 -1.766 364 2HD1 ILE 43 HD11 ILE 43 -1.105 -44.576 -0.889 365 3HD1 ILE 43 HD12 ILE 43 -1.197 -44.573 -2.643 366 H GLY 44 HN GLY 44 3.667 -45.407 1.659 367 1HA GLY 44 HA1 GLY 44 3.079 -46.736 4.122 368 2HA GLY 44 HA2 GLY 44 3.848 -47.843 3.010 369 HA PRO 45 HA PRO 45 7.038 -45.093 5.563 370 1HB PRO 45 HB1 PRO 45 7.509 -47.853 6.740 371 2HB PRO 45 HB2 PRO 45 7.766 -46.254 7.465 372 1HG PRO 45 HG1 PRO 45 5.557 -47.547 8.087 373 2HG PRO 45 HG2 PRO 45 5.414 -45.837 7.626 374 1HD PRO 45 HD1 PRO 45 4.927 -48.304 5.920 375 2HD PRO 45 HD2 PRO 45 3.917 -46.855 6.125 376 H LYS 46 HN LYS 46 7.708 -48.482 4.604 377 HA LYS 46 HA LYS 46 10.265 -47.985 3.515 378 1HB LYS 46 HB1 LYS 46 8.354 -50.272 3.362 379 2HB LYS 46 HB2 LYS 46 9.637 -50.197 2.174 380 1HG LYS 46 HG1 LYS 46 11.249 -49.912 4.189 381 2HG LYS 46 HG2 LYS 46 9.898 -50.460 5.176 382 1HD LYS 46 HD1 LYS 46 9.784 -52.558 4.025 383 2HD LYS 46 HD2 LYS 46 10.818 -51.992 2.728 384 1HE LYS 46 HE1 LYS 46 12.634 -51.745 4.585 385 2HE LYS 46 HE2 LYS 46 11.581 -52.802 5.528 386 1HZ LYS 46 HZ3 LYS 46 11.571 -54.355 3.640 387 2HZ LYS 46 HZ1 LYS 46 12.599 -53.337 2.737 388 3HZ LYS 46 HZ2 LYS 46 13.156 -54.099 4.171 389 H CYS 47 HN CYS 47 7.123 -47.564 2.050 390 HA CYS 47 HA CYS 47 7.948 -47.333 -0.680 391 1HB CYS 47 HB1 CYS 47 5.601 -47.709 0.153 392 2HB CYS 47 HB2 CYS 47 5.590 -46.075 0.735 393 H VAL 48 HN VAL 48 6.982 -44.554 1.545 394 HA VAL 48 HA VAL 48 8.245 -42.654 0.313 395 HB VAL 48 HB VAL 48 8.891 -42.235 3.164 396 1HG1 VAL 48 HG11 VAL 48 8.366 -40.452 1.376 397 2HG1 VAL 48 HG12 VAL 48 6.755 -41.183 1.281 398 3HG1 VAL 48 HG13 VAL 48 7.257 -40.329 2.746 399 1HG2 VAL 48 HG23 VAL 48 7.294 -43.795 3.691 400 2HG2 VAL 48 HG21 VAL 48 6.758 -42.171 4.133 401 3HG2 VAL 48 HG22 VAL 48 6.064 -42.982 2.726 402 H LYS 49 HN LYS 49 10.050 -44.729 2.626 403 HA LYS 49 HA LYS 49 12.589 -43.532 2.250 404 1HB LYS 49 HB1 LYS 49 11.927 -46.359 3.057 405 2HB LYS 49 HB2 LYS 49 13.547 -45.680 3.077 406 1HG LYS 49 HG1 LYS 49 12.796 -43.919 4.660 407 2HG LYS 49 HG2 LYS 49 11.180 -44.612 4.653 408 1HD LYS 49 HD1 LYS 49 12.075 -46.721 5.584 409 2HD LYS 49 HD2 LYS 49 13.689 -46.020 5.613 410 1HE LYS 49 HE1 LYS 49 12.899 -44.260 7.162 411 2HE LYS 49 HE2 LYS 49 11.283 -44.965 7.132 412 1HZ LYS 49 HZ3 LYS 49 12.211 -47.037 7.950 413 2HZ LYS 49 HZ1 LYS 49 13.761 -46.363 7.978 414 3HZ LYS 49 HZ2 LYS 49 12.566 -45.780 9.027 415 H ALA 50 HN ALA 50 11.444 -46.494 0.475 416 HA ALA 50 HA ALA 50 13.524 -46.735 -1.442 417 1HB ALA 50 HB2 ALA 50 11.715 -48.354 -1.045 418 2HB ALA 50 HB3 ALA 50 10.556 -47.263 -1.768 419 3HB ALA 50 HB1 ALA 50 11.829 -47.988 -2.745 420 H PHE 51 HN PHE 51 10.516 -44.749 -1.636 421 HA PHE 51 HA PHE 51 10.896 -43.462 -4.076 422 1HB PHE 51 HB1 PHE 51 8.906 -43.453 -2.403 423 2HB PHE 51 HB2 PHE 51 9.712 -42.129 -1.610 424 HD1 PHE 51 HD1 PHE 51 7.228 -42.868 -3.975 425 HD2 PHE 51 HD2 PHE 51 10.301 -40.022 -3.247 426 HE1 PHE 51 HE1 PHE 51 6.316 -41.514 -5.626 427 HE2 PHE 51 HE2 PHE 51 9.399 -38.622 -5.034 428 HZ PHE 51 HZ PHE 51 7.453 -39.384 -6.332 429 H LYS 52 HN LYS 52 11.831 -42.061 -0.854 430 HA LYS 52 HA LYS 52 13.087 -39.790 -1.964 431 1HB LYS 52 HB1 LYS 52 13.568 -41.056 0.742 432 2HB LYS 52 HB2 LYS 52 14.170 -39.482 0.256 433 1HG LYS 52 HG1 LYS 52 11.773 -38.746 -0.074 434 2HG LYS 52 HG2 LYS 52 11.273 -40.297 0.589 435 1HD LYS 52 HD1 LYS 52 12.779 -39.662 2.631 436 2HD LYS 52 HD2 LYS 52 12.712 -38.028 1.986 437 1HE LYS 52 HE1 LYS 52 10.204 -38.180 2.036 438 2HE LYS 52 HE2 LYS 52 10.366 -39.749 2.822 439 1HZ LYS 52 HZ1 LYS 52 11.817 -38.547 4.492 440 2HZ LYS 52 HZ2 LYS 52 11.241 -37.054 3.870 441 3HZ LYS 52 HZ3 LYS 52 10.170 -38.180 4.553 442 H ASP 53 HN ASP 53 14.547 -42.973 -1.119 443 HA ASP 53 HA ASP 53 17.202 -42.004 -1.677 444 1HB ASP 53 HB1 ASP 53 16.138 -44.779 -1.171 445 2HB ASP 53 HB2 ASP 53 17.839 -44.435 -1.482 446 H CYS 54 HN CYS 54 15.026 -44.079 -3.714 447 HA CYS 54 HA CYS 54 16.585 -43.905 -6.042 448 1HB CYS 54 HB1 CYS 54 13.721 -44.320 -5.426 449 2HB CYS 54 HB2 CYS 54 14.083 -43.846 -7.057 450 H CYS 55 HN CYS 55 14.213 -41.453 -4.849 451 HA CYS 55 HA CYS 55 14.538 -39.639 -6.969 452 1HB CYS 55 HB1 CYS 55 12.831 -39.667 -5.056 453 2HB CYS 55 HB2 CYS 55 14.035 -38.818 -4.118 454 OH TYR 56 OH TYR 56 18.254 -35.336 0.666 455 H TYR 56 HN TYR 56 16.509 -39.809 -3.935 456 HA TYR 56 HA TYR 56 18.421 -37.896 -4.665 457 1HB TYR 56 HB1 TYR 56 18.509 -40.318 -2.910 458 2HB TYR 56 HB2 TYR 56 20.037 -39.585 -3.351 459 HD1 TYR 56 HD1 TYR 56 20.660 -37.382 -2.512 460 HD2 TYR 56 HD2 TYR 56 16.820 -38.956 -1.598 461 HE1 TYR 56 HE1 TYR 56 20.328 -35.622 -0.816 462 HE2 TYR 56 HE2 TYR 56 16.511 -37.208 0.097 463 HH TYR 56 HH TYR 56 17.403 -35.427 1.096 464 H ILE 57 HN ILE 57 18.540 -41.389 -5.561 465 HA ILE 57 HA ILE 57 20.793 -41.199 -7.257 466 HB ILE 57 HB ILE 57 18.417 -43.031 -7.618 467 1HG1 ILE 57 HG11 ILE 57 19.114 -43.516 -5.452 468 2HG1 ILE 57 HG12 ILE 57 19.828 -44.768 -6.440 469 1HG2 ILE 57 HG21 ILE 57 21.237 -43.396 -8.673 470 2HG2 ILE 57 HG22 ILE 57 19.972 -44.619 -8.723 471 3HG2 ILE 57 HG23 ILE 57 19.787 -43.131 -9.630 472 1HD1 ILE 57 HD11 ILE 57 22.012 -43.543 -6.354 473 2HD1 ILE 57 HD12 ILE 57 21.243 -42.343 -5.314 474 3HD1 ILE 57 HD13 ILE 57 21.428 -44.001 -4.752 475 H ALA 58 HN ALA 58 17.442 -40.807 -8.136 476 HA ALA 58 HA ALA 58 17.606 -40.040 -10.844 477 1HB ALA 58 HB3 ALA 58 15.517 -40.428 -9.672 478 2HB ALA 58 HB1 ALA 58 15.735 -38.952 -8.743 479 3HB ALA 58 HB2 ALA 58 15.497 -38.870 -10.481 480 H ASN 59 HN ASN 59 17.800 -37.791 -8.045 481 HA ASN 59 HA ASN 59 18.547 -35.523 -9.592 482 1HB ASN 59 HB1 ASN 59 18.924 -36.042 -6.641 483 2HB ASN 59 HB2 ASN 59 19.239 -34.501 -7.433 484 1HD2 ASN 59 HD21 ASN 59 16.053 -34.904 -5.761 485 2HD2 ASN 59 HD22 ASN 59 16.401 -36.514 -6.338 486 H GLN 60 HN GLN 60 20.684 -37.950 -8.010 487 HA GLN 60 HA GLN 60 23.114 -36.784 -8.885 488 1HB GLN 60 HB1 GLN 60 22.465 -39.713 -8.490 489 2HB GLN 60 HB2 GLN 60 24.075 -39.086 -8.752 490 1HG GLN 60 HG1 GLN 60 22.313 -38.431 -6.350 491 2HG GLN 60 HG2 GLN 60 23.640 -39.575 -6.364 492 1HE2 GLN 60 HE21 GLN 60 24.529 -35.656 -6.049 493 2HE2 GLN 60 HE22 GLN 60 22.890 -36.103 -6.412 494 H VAL 61 HN VAL 61 21.090 -39.199 -10.637 495 HA VAL 61 HA VAL 61 22.554 -39.193 -13.038 496 HB VAL 61 HB VAL 61 19.598 -39.646 -12.593 497 1HG1 VAL 61 HG11 VAL 61 21.212 -40.352 -15.077 498 2HG1 VAL 61 HG12 VAL 61 19.560 -40.864 -14.751 499 3HG1 VAL 61 HG13 VAL 61 19.914 -39.167 -15.009 500 1HG2 VAL 61 HG23 VAL 61 21.909 -41.594 -12.959 501 2HG2 VAL 61 HG21 VAL 61 21.045 -41.276 -11.457 502 3HG2 VAL 61 HG22 VAL 61 20.214 -42.046 -12.800 503 NH1 ARG 62 NH1 ARG 62 15.177 -30.191 -13.518 504 NH2 ARG 62 NH2 ARG 62 14.684 -31.794 -12.153 505 H ARG 62 HN ARG 62 19.874 -36.959 -12.170 506 HA ARG 62 HA ARG 62 19.953 -35.300 -14.427 507 1HB ARG 62 HB1 ARG 62 18.286 -35.314 -12.539 508 2HB ARG 62 HB2 ARG 62 19.451 -34.438 -11.568 509 1HG ARG 62 HG1 ARG 62 19.358 -32.527 -13.156 510 2HG ARG 62 HG2 ARG 62 18.223 -33.415 -14.162 511 1HD ARG 62 HD1 ARG 62 16.679 -33.534 -12.197 512 2HD ARG 62 HD2 ARG 62 17.766 -32.464 -11.315 513 HE ARG 62 HE ARG 62 17.355 -31.031 -13.558 514 1HH1 ARG 62 HH12 ARG 62 15.809 -29.688 -14.086 515 2HH1 ARG 62 HH11 ARG 62 14.199 -29.930 -13.428 516 1HH2 ARG 62 HH22 ARG 62 14.915 -32.591 -11.607 517 2HH2 ARG 62 HH21 ARG 62 13.761 -31.431 -12.171 518 H ALA 63 HN ALA 63 21.990 -34.977 -11.474 519 HA ALA 63 HA ALA 63 23.534 -32.800 -12.498 520 1HB ALA 63 HB2 ALA 63 23.321 -33.240 -10.104 521 2HB ALA 63 HB3 ALA 63 24.128 -34.794 -10.289 522 3HB ALA 63 HB1 ALA 63 25.018 -33.299 -10.574 523 H GLU 64 HN GLU 64 24.239 -36.334 -12.473 524 HA GLU 64 HA GLU 64 26.779 -36.020 -13.777 525 1HB GLU 64 HB1 GLU 64 25.042 -38.465 -13.361 526 2HB GLU 64 HB2 GLU 64 26.665 -38.517 -14.032 527 1HG GLU 64 HG1 GLU 64 27.624 -37.673 -11.930 528 2HG GLU 64 HG2 GLU 64 26.019 -37.410 -11.260 529 H GLN 65 HN GLN 65 23.595 -37.036 -15.121 530 HA GLN 65 HA GLN 65 22.906 -37.541 -17.166 531 1HB GLN 65 HB1 GLN 65 24.461 -35.030 -17.642 532 2HB GLN 65 HB2 GLN 65 23.555 -35.785 -18.936 533 1HG GLN 65 HG1 GLN 65 21.457 -35.536 -17.753 534 2HG GLN 65 HG2 GLN 65 22.266 -35.092 -16.260 535 1HE2 GLN 65 HE21 GLN 65 22.043 -31.716 -17.070 536 2HE2 GLN 65 HE22 GLN 65 22.078 -32.946 -15.828 Start of MODEL 22 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 18.500 -41.958 2.565 2 2H MET 1 HT2 MET 1 19.055 -40.378 2.216 3 3H MET 1 HT1 MET 1 19.640 -41.694 1.348 4 HA MET 1 HA MET 1 21.306 -41.015 2.819 5 1HB MET 1 HB1 MET 1 19.196 -41.332 4.969 6 2HB MET 1 HB2 MET 1 20.894 -41.044 5.274 7 1HG MET 1 HG1 MET 1 18.989 -39.121 3.891 8 2HG MET 1 HG2 MET 1 19.574 -38.996 5.528 9 1HE MET 1 HE1 MET 1 22.357 -38.841 6.022 10 2HE MET 1 HE2 MET 1 22.929 -37.343 5.310 11 3HE MET 1 HE3 MET 1 21.385 -37.358 6.143 12 H LEU 2 HN LEU 2 18.991 -43.678 3.315 13 HA LEU 2 HA LEU 2 21.172 -45.372 4.318 14 1HB LEU 2 HB1 LEU 2 18.197 -45.535 4.589 15 2HB LEU 2 HB2 LEU 2 19.165 -46.962 4.814 16 HG LEU 2 HG LEU 2 18.558 -46.094 6.924 17 1HD1 LEU 2 HD12 LEU 2 20.744 -47.128 6.865 18 2HD1 LEU 2 HD13 LEU 2 21.507 -45.582 6.498 19 3HD1 LEU 2 HD11 LEU 2 20.716 -45.826 8.044 20 1HD2 LEU 2 HD23 LEU 2 18.167 -43.738 6.442 21 2HD2 LEU 2 HD21 LEU 2 19.243 -43.930 7.820 22 3HD2 LEU 2 HD22 LEU 2 19.898 -43.478 6.256 23 H GLN 3 HN GLN 3 22.219 -45.960 2.638 24 HA GLN 3 HA GLN 3 21.588 -47.131 0.237 25 1HB GLN 3 HB1 GLN 3 23.831 -47.771 2.172 26 2HB GLN 3 HB2 GLN 3 23.693 -48.574 0.633 27 1HG GLN 3 HG1 GLN 3 25.317 -46.800 0.426 28 2HG GLN 3 HG2 GLN 3 23.925 -46.410 -0.553 29 1HE2 GLN 3 HE21 GLN 3 24.138 -44.097 2.780 30 2HE2 GLN 3 HE22 GLN 3 24.457 -45.788 3.006 31 H LYS 4 HN LYS 4 21.881 -48.912 3.318 32 HA LYS 4 HA LYS 4 21.010 -51.398 2.330 33 1HB LYS 4 HB1 LYS 4 20.874 -52.189 4.521 34 2HB LYS 4 HB2 LYS 4 22.253 -51.133 4.436 35 1HG LYS 4 HG1 LYS 4 21.497 -49.805 6.078 36 2HG LYS 4 HG2 LYS 4 19.898 -49.659 5.399 37 1HD LYS 4 HD1 LYS 4 20.668 -52.212 6.806 38 2HD LYS 4 HD2 LYS 4 20.307 -50.795 7.748 39 1HE LYS 4 HE1 LYS 4 18.326 -52.051 7.720 40 2HE LYS 4 HE2 LYS 4 18.046 -50.700 6.649 41 1HZ LYS 4 HZ2 LYS 4 18.852 -53.406 5.769 42 2HZ LYS 4 HZ3 LYS 4 17.240 -52.881 5.730 43 3HZ LYS 4 HZ1 LYS 4 18.423 -52.151 4.719 44 H LYS 5 HN LYS 5 18.988 -48.613 2.956 45 HA LYS 5 HA LYS 5 16.627 -50.298 3.104 46 1HB LYS 5 HB1 LYS 5 16.912 -47.322 3.300 47 2HB LYS 5 HB2 LYS 5 15.352 -48.100 3.156 48 1HG LYS 5 HG1 LYS 5 17.048 -49.413 5.193 49 2HG LYS 5 HG2 LYS 5 16.879 -47.724 5.522 50 1HD LYS 5 HD1 LYS 5 15.310 -49.360 6.691 51 2HD LYS 5 HD2 LYS 5 14.632 -47.890 6.069 52 1HE LYS 5 HE1 LYS 5 13.130 -49.738 5.737 53 2HE LYS 5 HE2 LYS 5 13.644 -49.116 4.182 54 1HZ LYS 5 HZ1 LYS 5 15.467 -50.886 4.415 55 2HZ LYS 5 HZ2 LYS 5 14.469 -51.662 5.490 56 3HZ LYS 5 HZ3 LYS 5 13.944 -51.358 3.844 57 H ILE 6 HN ILE 6 18.050 -48.125 0.620 58 HA ILE 6 HA ILE 6 16.220 -49.031 -1.412 59 HB ILE 6 HB ILE 6 19.131 -48.527 -2.043 60 1HG1 ILE 6 HG11 ILE 6 17.872 -46.266 -2.948 61 2HG1 ILE 6 HG12 ILE 6 17.026 -46.562 -1.452 62 1HG2 ILE 6 HG23 ILE 6 16.686 -48.487 -3.911 63 2HG2 ILE 6 HG21 ILE 6 18.302 -47.994 -4.352 64 3HG2 ILE 6 HG22 ILE 6 17.985 -49.652 -3.906 65 1HD1 ILE 6 HD11 ILE 6 20.051 -46.372 -1.744 66 2HD1 ILE 6 HD12 ILE 6 19.008 -45.099 -1.126 67 3HD1 ILE 6 HD13 ILE 6 19.188 -46.601 -0.225 68 H GLU 7 HN GLU 7 19.400 -50.387 -0.443 69 HA GLU 7 HA GLU 7 19.287 -52.619 -2.177 70 1HB GLU 7 HB1 GLU 7 20.846 -52.259 0.380 71 2HB GLU 7 HB2 GLU 7 21.041 -53.618 -0.714 72 1HG GLU 7 HG1 GLU 7 21.781 -52.113 -2.525 73 2HG GLU 7 HG2 GLU 7 21.477 -50.705 -1.514 74 H GLU 8 HN GLU 8 17.947 -52.429 1.203 75 HA GLU 8 HA GLU 8 17.142 -55.164 1.195 76 1HB GLU 8 HB1 GLU 8 17.286 -53.434 3.123 77 2HB GLU 8 HB2 GLU 8 15.707 -52.901 2.604 78 1HG GLU 8 HG1 GLU 8 14.977 -55.403 2.954 79 2HG GLU 8 HG2 GLU 8 16.485 -55.568 3.830 80 H GLU 9 HN GLU 9 15.086 -52.228 0.448 81 HA GLU 9 HA GLU 9 12.808 -53.868 -0.234 82 1HB GLU 9 HB1 GLU 9 13.449 -50.974 -0.194 83 2HB GLU 9 HB2 GLU 9 12.198 -51.473 -1.308 84 1HG GLU 9 HG1 GLU 9 11.244 -50.795 0.876 85 2HG GLU 9 HG2 GLU 9 10.877 -52.457 0.508 86 H ALA 10 HN ALA 10 15.013 -52.031 -2.405 87 HA ALA 10 HA ALA 10 14.198 -53.632 -4.668 88 1HB ALA 10 HB3 ALA 10 16.552 -51.784 -4.262 89 2HB ALA 10 HB1 ALA 10 16.104 -52.520 -5.801 90 3HB ALA 10 HB2 ALA 10 15.000 -51.390 -5.010 91 H ALA 11 HN ALA 11 16.536 -54.841 -2.180 92 HA ALA 11 HA ALA 11 17.077 -57.004 -3.984 93 1HB ALA 11 HB2 ALA 11 17.017 -57.026 -0.951 94 2HB ALA 11 HB3 ALA 11 17.641 -58.333 -1.972 95 3HB ALA 11 HB1 ALA 11 18.420 -56.749 -1.964 96 H LYS 12 HN LYS 12 14.502 -56.534 -1.566 97 HA LYS 12 HA LYS 12 13.305 -59.115 -1.984 98 1HB LYS 12 HB1 LYS 12 12.164 -56.676 -0.657 99 2HB LYS 12 HB2 LYS 12 11.524 -58.294 -0.522 100 1HG LYS 12 HG1 LYS 12 13.508 -59.048 0.719 101 2HG LYS 12 HG2 LYS 12 14.230 -57.458 0.557 102 1HD LYS 12 HD1 LYS 12 11.724 -58.123 2.155 103 2HD LYS 12 HD2 LYS 12 13.300 -57.713 2.809 104 1HE LYS 12 HE1 LYS 12 13.078 -55.498 1.545 105 2HE LYS 12 HE2 LYS 12 11.393 -55.917 1.301 106 1HZ LYS 12 HZ3 LYS 12 11.155 -56.084 3.740 107 2HZ LYS 12 HZ1 LYS 12 12.730 -55.437 3.945 108 3HZ LYS 12 HZ2 LYS 12 11.571 -54.525 3.150 109 OH TYR 13 OH TYR 13 14.876 -54.239 -9.706 110 H TYR 13 HN TYR 13 13.437 -58.414 -4.394 111 HA TYR 13 HA TYR 13 11.368 -57.099 -5.732 112 1HB TYR 13 HB1 TYR 13 13.352 -59.206 -6.409 113 2HB TYR 13 HB2 TYR 13 11.966 -59.117 -7.467 114 HD1 TYR 13 HD1 TYR 13 12.781 -58.192 -9.427 115 HD2 TYR 13 HD2 TYR 13 13.841 -56.187 -5.803 116 HE1 TYR 13 HE1 TYR 13 13.784 -56.344 -10.706 117 HE2 TYR 13 HE2 TYR 13 14.858 -54.422 -7.108 118 HH TYR 13 HH TYR 13 15.128 -53.486 -9.120 119 H LYS 14 HN LYS 14 11.008 -60.055 -4.014 120 HA LYS 14 HA LYS 14 8.467 -60.892 -4.901 121 1HB LYS 14 HB1 LYS 14 9.641 -60.862 -2.093 122 2HB LYS 14 HB2 LYS 14 8.198 -61.738 -2.563 123 1HG LYS 14 HG1 LYS 14 9.499 -63.123 -4.119 124 2HG LYS 14 HG2 LYS 14 10.969 -62.250 -3.714 125 1HD LYS 14 HD1 LYS 14 10.702 -62.970 -1.332 126 2HD LYS 14 HD2 LYS 14 9.304 -63.915 -1.794 127 1HE LYS 14 HE1 LYS 14 12.094 -64.342 -2.909 128 2HE LYS 14 HE2 LYS 14 11.435 -65.223 -1.537 129 1HZ LYS 14 HZ3 LYS 14 9.606 -65.958 -2.946 130 2HZ LYS 14 HZ1 LYS 14 10.274 -65.145 -4.266 131 3HZ LYS 14 HZ2 LYS 14 11.094 -66.458 -3.584 132 OH TYR 15 OH TYR 15 6.573 -60.192 2.939 133 H TYR 15 HN TYR 15 9.329 -58.145 -2.771 134 HA TYR 15 HA TYR 15 6.493 -57.433 -2.469 135 1HB TYR 15 HB1 TYR 15 9.007 -56.347 -1.186 136 2HB TYR 15 HB2 TYR 15 7.438 -55.585 -1.002 137 HD1 TYR 15 HD1 TYR 15 5.472 -57.238 -0.251 138 HD2 TYR 15 HD2 TYR 15 9.588 -58.038 0.386 139 HE1 TYR 15 HE1 TYR 15 4.898 -58.827 1.553 140 HE2 TYR 15 HE2 TYR 15 9.010 -59.632 2.160 141 HH TYR 15 HH TYR 15 7.362 -60.587 3.312 142 H ALA 16 HN ALA 16 6.398 -57.339 -4.620 143 HA ALA 16 HA ALA 16 7.900 -55.957 -6.467 144 1HB ALA 16 HB1 ALA 16 4.988 -56.798 -6.612 145 2HB ALA 16 HB2 ALA 16 5.981 -56.363 -7.999 146 3HB ALA 16 HB3 ALA 16 6.395 -57.770 -7.031 147 H MET 17 HN MET 17 4.890 -54.806 -5.016 148 HA MET 17 HA MET 17 4.858 -52.283 -6.344 149 1HB MET 17 HB1 MET 17 2.988 -51.709 -5.005 150 2HB MET 17 HB2 MET 17 2.809 -53.344 -5.574 151 1HG MET 17 HG1 MET 17 3.634 -52.609 -2.744 152 2HG MET 17 HG2 MET 17 1.998 -52.928 -3.238 153 1HE MET 17 HE3 MET 17 1.343 -55.366 -4.452 154 2HE MET 17 HE1 MET 17 1.621 -56.652 -3.292 155 3HE MET 17 HE2 MET 17 0.894 -55.150 -2.746 156 H LEU 18 HN LEU 18 6.449 -53.302 -3.375 157 HA LEU 18 HA LEU 18 6.784 -50.569 -2.425 158 1HB LEU 18 HB1 LEU 18 7.905 -53.157 -1.314 159 2HB LEU 18 HB2 LEU 18 8.015 -51.585 -0.546 160 HG LEU 18 HG LEU 18 5.456 -53.120 -1.078 161 1HD1 LEU 18 HD11 LEU 18 6.785 -54.090 0.734 162 2HD1 LEU 18 HD12 LEU 18 6.909 -52.518 1.513 163 3HD1 LEU 18 HD13 LEU 18 5.346 -53.316 1.380 164 1HD2 LEU 18 HD23 LEU 18 5.857 -50.463 0.329 165 2HD2 LEU 18 HD21 LEU 18 5.035 -50.691 -1.206 166 3HD2 LEU 18 HD22 LEU 18 4.336 -51.359 0.266 167 H LYS 19 HN LYS 19 9.059 -53.080 -3.704 168 HA LYS 19 HA LYS 19 11.054 -51.092 -4.113 169 1HB LYS 19 HB1 LYS 19 12.120 -52.681 -5.646 170 2HB LYS 19 HB2 LYS 19 11.532 -53.531 -4.241 171 1HG LYS 19 HG1 LYS 19 10.767 -55.030 -5.734 172 2HG LYS 19 HG2 LYS 19 9.425 -53.933 -5.924 173 1HD LYS 19 HD1 LYS 19 10.666 -52.867 -7.868 174 2HD LYS 19 HD2 LYS 19 11.886 -54.094 -7.691 175 1HE LYS 19 HE1 LYS 19 10.602 -54.995 -9.375 176 2HE LYS 19 HE2 LYS 19 9.908 -55.786 -7.967 177 1HZ LYS 19 HZ2 LYS 19 8.195 -53.965 -7.870 178 2HZ LYS 19 HZ3 LYS 19 8.918 -53.315 -9.254 179 3HZ LYS 19 HZ1 LYS 19 8.166 -54.824 -9.348 180 H LYS 20 HN LYS 20 8.258 -51.934 -6.310 181 HA LYS 20 HA LYS 20 9.042 -50.062 -8.291 182 1HB LYS 20 HB1 LYS 20 6.806 -51.768 -7.836 183 2HB LYS 20 HB2 LYS 20 6.148 -50.180 -8.084 184 1HG LYS 20 HG1 LYS 20 8.062 -51.581 -9.989 185 2HG LYS 20 HG2 LYS 20 6.325 -51.595 -10.150 186 1HD LYS 20 HD1 LYS 20 8.131 -49.172 -10.432 187 2HD LYS 20 HD2 LYS 20 7.353 -50.047 -11.723 188 1HE LYS 20 HE1 LYS 20 5.641 -48.635 -11.599 189 2HE LYS 20 HE2 LYS 20 5.209 -49.336 -10.050 190 1HZ LYS 20 HZ2 LYS 20 7.064 -47.760 -9.130 191 2HZ LYS 20 HZ3 LYS 20 6.840 -46.894 -10.632 192 3HZ LYS 20 HZ1 LYS 20 5.575 -47.111 -9.509 193 H CYS 21 HN CYS 21 7.211 -49.471 -5.196 194 HA CYS 21 HA CYS 21 6.994 -46.707 -5.499 195 1HB CYS 21 HB1 CYS 21 6.017 -48.259 -3.755 196 2HB CYS 21 HB2 CYS 21 7.559 -48.174 -2.924 197 H CYS 22 HN CYS 22 9.857 -48.450 -4.045 198 HA CYS 22 HA CYS 22 11.833 -46.415 -4.147 199 1HB CYS 22 HB1 CYS 22 12.023 -49.000 -3.715 200 2HB CYS 22 HB2 CYS 22 12.643 -48.919 -5.317 201 OH TYR 23 OH TYR 23 15.349 -52.062 -8.329 202 H TYR 23 HN TYR 23 10.792 -48.208 -6.932 203 HA TYR 23 HA TYR 23 12.342 -46.467 -8.545 204 1HB TYR 23 HB1 TYR 23 10.404 -48.552 -9.349 205 2HB TYR 23 HB2 TYR 23 11.603 -47.783 -10.370 206 HD1 TYR 23 HD1 TYR 23 11.646 -50.492 -10.287 207 HD2 TYR 23 HD2 TYR 23 13.417 -48.214 -7.054 208 HE1 TYR 23 HE1 TYR 23 13.425 -52.181 -10.014 209 HE2 TYR 23 HE2 TYR 23 15.184 -49.808 -6.978 210 HH TYR 23 HH TYR 23 16.005 -51.745 -7.702 211 H ASP 24 HN ASP 24 8.843 -46.262 -7.822 212 HA ASP 24 HA ASP 24 8.336 -43.838 -9.141 213 1HB ASP 24 HB1 ASP 24 7.283 -44.680 -6.430 214 2HB ASP 24 HB2 ASP 24 6.850 -43.197 -7.231 215 H GLY 25 HN GLY 25 10.070 -44.144 -6.034 216 1HA GLY 25 HA1 GLY 25 10.835 -41.411 -5.846 217 2HA GLY 25 HA2 GLY 25 11.713 -42.748 -5.152 218 H ALA 26 HN ALA 26 12.520 -44.091 -7.417 219 HA ALA 26 HA ALA 26 14.832 -42.674 -8.177 220 1HB ALA 26 HB1 ALA 26 14.827 -45.091 -8.013 221 2HB ALA 26 HB2 ALA 26 13.744 -45.202 -9.402 222 3HB ALA 26 HB3 ALA 26 15.372 -44.581 -9.606 223 OH TYR 27 OH TYR 27 7.138 -45.656 -11.419 224 H TYR 27 HN TYR 27 11.977 -43.322 -10.436 225 HA TYR 27 HA TYR 27 13.389 -41.733 -12.392 226 1HB TYR 27 HB1 TYR 27 11.351 -41.904 -13.856 227 2HB TYR 27 HB2 TYR 27 12.356 -43.299 -13.570 228 HD1 TYR 27 HD1 TYR 27 9.268 -41.737 -12.038 229 HD2 TYR 27 HD2 TYR 27 11.221 -45.308 -13.248 230 HE1 TYR 27 HE1 TYR 27 7.303 -43.049 -11.368 231 HE2 TYR 27 HE2 TYR 27 9.243 -46.613 -12.575 232 HH TYR 27 HH TYR 27 6.548 -45.051 -10.912 233 NH1 ARG 28 NH1 ARG 28 8.562 -38.607 -8.915 234 NH2 ARG 28 NH2 ARG 28 10.220 -39.538 -7.835 235 H ARG 28 HN ARG 28 13.585 -40.104 -10.683 236 HA ARG 28 HA ARG 28 11.487 -38.032 -10.650 237 1HB ARG 28 HB1 ARG 28 12.879 -38.874 -8.616 238 2HB ARG 28 HB2 ARG 28 14.193 -37.955 -9.309 239 1HG ARG 28 HG1 ARG 28 13.433 -36.315 -7.969 240 2HG ARG 28 HG2 ARG 28 12.325 -36.003 -9.277 241 1HD ARG 28 HD1 ARG 28 11.688 -37.637 -6.816 242 2HD ARG 28 HD2 ARG 28 11.254 -35.966 -7.071 243 HE ARG 28 HE ARG 28 9.722 -36.660 -8.885 244 1HH1 ARG 28 HH12 ARG 28 8.187 -37.777 -9.317 245 2HH1 ARG 28 HH11 ARG 28 8.142 -39.500 -8.978 246 1HH2 ARG 28 HH22 ARG 28 11.118 -39.460 -7.426 247 2HH2 ARG 28 HH21 ARG 28 9.759 -40.449 -7.911 248 H ASN 29 HN ASN 29 11.591 -36.254 -12.011 249 HA ASN 29 HA ASN 29 14.066 -35.932 -13.623 250 1HB ASN 29 HB1 ASN 29 11.144 -35.655 -14.460 251 2HB ASN 29 HB2 ASN 29 12.515 -35.273 -15.491 252 1HD2 ASN 29 HD21 ASN 29 11.089 -38.896 -15.276 253 2HD2 ASN 29 HD22 ASN 29 11.260 -38.277 -13.669 254 H ASP 30 HN ASP 30 12.148 -33.430 -14.614 255 HA ASP 30 HA ASP 30 13.344 -31.390 -13.070 256 1HB ASP 30 HB1 ASP 30 11.741 -29.930 -14.347 257 2HB ASP 30 HB2 ASP 30 12.678 -31.007 -15.368 258 H ASP 31 HN ASP 31 10.698 -33.353 -12.249 259 HA ASP 31 HA ASP 31 9.073 -31.500 -10.840 260 1HB ASP 31 HB1 ASP 31 7.889 -33.539 -10.062 261 2HB ASP 31 HB2 ASP 31 8.128 -33.492 -11.792 262 H GLU 32 HN GLU 32 9.134 -30.821 -8.866 263 HA GLU 32 HA GLU 32 11.741 -30.346 -8.018 264 1HB GLU 32 HB1 GLU 32 9.298 -29.493 -6.459 265 2HB GLU 32 HB2 GLU 32 10.879 -28.752 -6.459 266 1HG GLU 32 HG1 GLU 32 9.787 -27.269 -7.869 267 2HG GLU 32 HG2 GLU 32 10.361 -28.406 -9.078 268 H THR 33 HN THR 33 9.384 -31.447 -5.452 269 HA THR 33 HA THR 33 11.725 -32.739 -4.219 270 HB THR 33 HB THR 33 11.623 -30.581 -3.207 271 HG1 THR 33 HG1 THR 33 10.927 -32.068 -0.992 272 1HG2 THR 33 HG23 THR 33 9.197 -30.083 -3.168 273 2HG2 THR 33 HG21 THR 33 8.963 -31.385 -2.000 274 3HG2 THR 33 HG22 THR 33 9.929 -29.982 -1.568 275 H CYS 34 HN CYS 34 11.412 -34.371 -2.814 276 HA CYS 34 HA CYS 34 9.531 -36.190 -3.953 277 1HB CYS 34 HB1 CYS 34 11.601 -36.620 -1.811 278 2HB CYS 34 HB2 CYS 34 10.694 -37.894 -2.604 279 H GLU 35 HN GLU 35 9.909 -35.211 -0.535 280 HA GLU 35 HA GLU 35 7.784 -36.840 0.379 281 1HB GLU 35 HB1 GLU 35 7.879 -35.736 2.510 282 2HB GLU 35 HB2 GLU 35 9.469 -36.162 1.940 283 1HG GLU 35 HG1 GLU 35 8.328 -33.322 1.903 284 2HG GLU 35 HG2 GLU 35 9.411 -33.953 3.120 285 H GLU 36 HN GLU 36 7.508 -33.746 -1.135 286 HA GLU 36 HA GLU 36 4.759 -33.254 -0.396 287 1HB GLU 36 HB1 GLU 36 6.287 -31.515 -1.149 288 2HB GLU 36 HB2 GLU 36 6.524 -32.317 -2.684 289 1HG GLU 36 HG1 GLU 36 4.177 -31.807 -3.331 290 2HG GLU 36 HG2 GLU 36 3.901 -31.056 -1.768 291 NH1 ARG 37 NH1 ARG 37 6.615 -30.922 -7.161 292 NH2 ARG 37 NH2 ARG 37 7.179 -31.883 -5.311 293 H ARG 37 HN ARG 37 6.240 -34.519 -3.362 294 HA ARG 37 HA ARG 37 3.944 -35.569 -4.614 295 1HB ARG 37 HB1 ARG 37 6.900 -36.226 -4.828 296 2HB ARG 37 HB2 ARG 37 5.695 -36.982 -5.856 297 1HG ARG 37 HG1 ARG 37 5.342 -35.102 -7.099 298 2HG ARG 37 HG2 ARG 37 5.457 -34.033 -5.732 299 1HD ARG 37 HD1 ARG 37 8.031 -34.429 -5.878 300 2HD ARG 37 HD2 ARG 37 7.697 -35.116 -7.460 301 HE ARG 37 HE ARG 37 7.190 -32.921 -8.224 302 1HH1 ARG 37 HH12 ARG 37 6.492 -30.903 -8.146 303 2HH1 ARG 37 HH11 ARG 37 6.453 -30.116 -6.604 304 1HH2 ARG 37 HH22 ARG 37 7.597 -32.654 -4.808 305 2HH2 ARG 37 HH21 ARG 37 6.880 -31.030 -4.840 306 H ALA 38 HN ALA 38 6.235 -37.234 -2.394 307 HA ALA 38 HA ALA 38 4.404 -39.461 -2.173 308 1HB ALA 38 HB2 ALA 38 7.173 -39.080 -1.153 309 2HB ALA 38 HB3 ALA 38 6.164 -40.506 -0.850 310 3HB ALA 38 HB1 ALA 38 6.540 -40.051 -2.506 311 H ALA 39 HN ALA 39 4.446 -36.514 -0.217 312 HA ALA 39 HA ALA 39 2.659 -37.704 1.614 313 1HB ALA 39 HB3 ALA 39 3.409 -35.378 1.819 314 2HB ALA 39 HB1 ALA 39 2.546 -34.944 0.349 315 3HB ALA 39 HB2 ALA 39 1.647 -35.448 1.782 316 NH1 ARG 40 NH1 ARG 40 3.081 -37.399 -7.821 317 NH2 ARG 40 NH2 ARG 40 1.417 -36.165 -8.527 318 H ARG 40 HN ARG 40 2.113 -36.645 -1.743 319 HA ARG 40 HA ARG 40 -0.565 -37.669 -1.915 320 1HB ARG 40 HB1 ARG 40 0.306 -36.044 -3.462 321 2HB ARG 40 HB2 ARG 40 1.553 -37.142 -3.994 322 1HG ARG 40 HG1 ARG 40 -0.303 -38.627 -4.952 323 2HG ARG 40 HG2 ARG 40 -1.427 -37.343 -4.551 324 1HD ARG 40 HD1 ARG 40 -0.788 -37.174 -6.887 325 2HD ARG 40 HD2 ARG 40 -0.107 -35.796 -6.013 326 HE ARG 40 HE ARG 40 1.799 -37.875 -5.960 327 1HH1 ARG 40 HH12 ARG 40 3.463 -37.996 -7.132 328 2HH1 ARG 40 HH11 ARG 40 3.570 -37.153 -8.644 329 1HH2 ARG 40 HH22 ARG 40 0.507 -35.816 -8.367 330 2HH2 ARG 40 HH21 ARG 40 1.940 -35.942 -9.335 331 H ILE 41 HN ILE 41 2.396 -39.398 -3.191 332 HA ILE 41 HA ILE 41 1.252 -41.911 -3.186 333 HB ILE 41 HB ILE 41 4.242 -41.419 -3.036 334 1HG1 ILE 41 HG11 ILE 41 3.535 -42.461 -5.514 335 2HG1 ILE 41 HG12 ILE 41 2.182 -41.364 -5.183 336 1HG2 ILE 41 HG23 ILE 41 2.764 -43.898 -3.563 337 2HG2 ILE 41 HG21 ILE 41 4.509 -43.472 -3.869 338 3HG2 ILE 41 HG22 ILE 41 3.844 -43.565 -2.201 339 1HD1 ILE 41 HD12 ILE 41 5.010 -40.624 -4.771 340 2HD1 ILE 41 HD13 ILE 41 4.204 -40.353 -6.349 341 3HD1 ILE 41 HD11 ILE 41 3.664 -39.525 -4.872 342 H LYS 42 HN LYS 42 0.205 -42.216 -1.780 343 HA LYS 42 HA LYS 42 0.592 -41.979 1.113 344 1HB LYS 42 HB1 LYS 42 -1.483 -41.363 -0.431 345 2HB LYS 42 HB2 LYS 42 -1.935 -43.029 -0.182 346 1HG LYS 42 HG1 LYS 42 -3.125 -41.917 1.499 347 2HG LYS 42 HG2 LYS 42 -1.730 -42.530 2.359 348 1HD LYS 42 HD1 LYS 42 -1.902 -40.327 3.134 349 2HD LYS 42 HD2 LYS 42 -0.660 -40.198 1.908 350 1HE LYS 42 HE1 LYS 42 -2.572 -39.523 0.291 351 2HE LYS 42 HE2 LYS 42 -3.551 -39.331 1.745 352 1HZ LYS 42 HZ3 LYS 42 -1.757 -37.894 2.628 353 2HZ LYS 42 HZ1 LYS 42 -0.909 -38.017 1.138 354 3HZ LYS 42 HZ2 LYS 42 -2.443 -37.253 1.215 355 H ILE 43 HN ILE 43 1.232 -44.605 -0.832 356 HA ILE 43 HA ILE 43 -0.661 -46.534 -0.036 357 HB ILE 43 HB ILE 43 1.988 -46.892 -1.409 358 1HG1 ILE 43 HG11 ILE 43 0.680 -45.410 -2.742 359 2HG1 ILE 43 HG12 ILE 43 0.787 -46.956 -3.532 360 1HG2 ILE 43 HG22 ILE 43 -0.280 -48.886 -1.330 361 2HG2 ILE 43 HG23 ILE 43 1.116 -48.982 -2.399 362 3HG2 ILE 43 HG21 ILE 43 1.332 -49.090 -0.663 363 1HD1 ILE 43 HD11 ILE 43 -1.554 -47.476 -2.857 364 2HD1 ILE 43 HD12 ILE 43 -1.667 -45.911 -2.060 365 3HD1 ILE 43 HD13 ILE 43 -1.452 -45.999 -3.800 366 H GLY 44 HN GLY 44 2.654 -46.140 1.294 367 1HA GLY 44 HA1 GLY 44 1.777 -47.325 3.724 368 2HA GLY 44 HA2 GLY 44 2.734 -48.487 2.840 369 HA PRO 45 HA PRO 45 5.486 -45.538 5.633 370 1HB PRO 45 HB1 PRO 45 5.776 -48.230 7.008 371 2HB PRO 45 HB2 PRO 45 5.931 -46.596 7.679 372 1HG PRO 45 HG1 PRO 45 3.655 -47.866 8.049 373 2HG PRO 45 HG2 PRO 45 3.581 -46.183 7.484 374 1HD PRO 45 HD1 PRO 45 3.336 -48.737 5.858 375 2HD PRO 45 HD2 PRO 45 2.310 -47.285 5.839 376 H LYS 46 HN LYS 46 6.204 -48.958 4.889 377 HA LYS 46 HA LYS 46 8.913 -48.577 4.177 378 1HB LYS 46 HB1 LYS 46 6.952 -50.809 3.768 379 2HB LYS 46 HB2 LYS 46 8.476 -50.837 2.903 380 1HG LYS 46 HG1 LYS 46 9.694 -50.612 5.068 381 2HG LYS 46 HG2 LYS 46 8.162 -50.701 5.922 382 1HD LYS 46 HD1 LYS 46 7.770 -52.941 5.238 383 2HD LYS 46 HD2 LYS 46 8.976 -52.870 3.975 384 1HE LYS 46 HE1 LYS 46 9.604 -52.844 6.939 385 2HE LYS 46 HE2 LYS 46 9.649 -54.272 5.912 386 1HZ LYS 46 HZ1 LYS 46 11.194 -52.889 4.404 387 2HZ LYS 46 HZ2 LYS 46 11.332 -51.846 5.727 388 3HZ LYS 46 HZ3 LYS 46 11.868 -53.444 5.872 389 H CYS 47 HN CYS 47 6.031 -48.099 2.264 390 HA CYS 47 HA CYS 47 7.292 -47.911 -0.307 391 1HB CYS 47 HB1 CYS 47 4.851 -48.293 0.081 392 2HB CYS 47 HB2 CYS 47 4.726 -46.680 0.708 393 H VAL 48 HN VAL 48 5.958 -45.084 1.672 394 HA VAL 48 HA VAL 48 7.412 -43.213 0.629 395 HB VAL 48 HB VAL 48 7.567 -42.772 3.552 396 1HG1 VAL 48 HG13 VAL 48 7.465 -40.990 1.695 397 2HG1 VAL 48 HG11 VAL 48 5.877 -41.668 1.295 398 3HG1 VAL 48 HG12 VAL 48 6.117 -40.815 2.827 399 1HG2 VAL 48 HG21 VAL 48 5.855 -44.293 3.760 400 2HG2 VAL 48 HG22 VAL 48 5.292 -42.654 4.107 401 3HG2 VAL 48 HG23 VAL 48 4.849 -43.442 2.590 402 H LYS 49 HN LYS 49 8.788 -45.300 3.163 403 HA LYS 49 HA LYS 49 11.348 -44.093 3.202 404 1HB LYS 49 HB1 LYS 49 10.279 -45.706 4.892 405 2HB LYS 49 HB2 LYS 49 10.836 -46.997 3.858 406 1HG LYS 49 HG1 LYS 49 12.397 -46.693 5.686 407 2HG LYS 49 HG2 LYS 49 13.179 -46.239 4.181 408 1HD LYS 49 HD1 LYS 49 12.930 -43.875 4.690 409 2HD LYS 49 HD2 LYS 49 11.932 -44.229 6.085 410 1HE LYS 49 HE1 LYS 49 14.191 -43.537 6.704 411 2HE LYS 49 HE2 LYS 49 13.850 -45.176 7.244 412 1HZ LYS 49 HZ3 LYS 49 15.234 -44.626 4.602 413 2HZ LYS 49 HZ1 LYS 49 16.058 -44.858 6.091 414 3HZ LYS 49 HZ2 LYS 49 15.065 -46.061 5.443 415 H ALA 50 HN ALA 50 10.483 -47.082 1.305 416 HA ALA 50 HA ALA 50 12.812 -47.350 -0.288 417 1HB ALA 50 HB3 ALA 50 10.881 -48.904 -0.231 418 2HB ALA 50 HB1 ALA 50 9.905 -47.736 -1.089 419 3HB ALA 50 HB2 ALA 50 11.279 -48.504 -1.879 420 H PHE 51 HN PHE 51 9.923 -45.291 -0.897 421 HA PHE 51 HA PHE 51 10.722 -43.931 -3.191 422 1HB PHE 51 HB1 PHE 51 8.480 -43.963 -1.838 423 2HB PHE 51 HB2 PHE 51 9.149 -42.628 -0.942 424 HD1 PHE 51 HD1 PHE 51 10.000 -40.547 -2.511 425 HD2 PHE 51 HD2 PHE 51 7.006 -43.363 -3.610 426 HE1 PHE 51 HE1 PHE 51 9.340 -39.148 -4.413 427 HE2 PHE 51 HE2 PHE 51 6.352 -42.042 -5.390 428 HZ PHE 51 HZ PHE 51 7.547 -39.890 -5.920 429 H LYS 52 HN LYS 52 11.125 -42.648 0.193 430 HA LYS 52 HA LYS 52 12.535 -40.371 -0.660 431 1HB LYS 52 HB1 LYS 52 11.263 -40.554 1.453 432 2HB LYS 52 HB2 LYS 52 12.495 -41.606 2.098 433 1HG LYS 52 HG1 LYS 52 12.815 -39.418 3.034 434 2HG LYS 52 HG2 LYS 52 14.148 -39.726 1.947 435 1HD LYS 52 HD1 LYS 52 13.030 -38.296 0.214 436 2HD LYS 52 HD2 LYS 52 11.745 -37.949 1.364 437 1HE LYS 52 HE1 LYS 52 13.327 -36.883 2.875 438 2HE LYS 52 HE2 LYS 52 14.680 -37.364 1.857 439 1HZ LYS 52 HZ2 LYS 52 13.575 -36.080 0.034 440 2HZ LYS 52 HZ3 LYS 52 12.507 -35.352 1.161 441 3HZ LYS 52 HZ1 LYS 52 14.172 -35.146 1.298 442 H ASP 53 HN ASP 53 13.892 -43.564 0.404 443 HA ASP 53 HA ASP 53 16.574 -42.488 0.240 444 1HB ASP 53 HB1 ASP 53 15.486 -45.238 0.755 445 2HB ASP 53 HB2 ASP 53 17.206 -44.973 0.500 446 H CYS 54 HN CYS 54 14.692 -44.532 -2.093 447 HA CYS 54 HA CYS 54 16.570 -44.314 -4.176 448 1HB CYS 54 HB1 CYS 54 13.668 -44.847 -3.984 449 2HB CYS 54 HB2 CYS 54 14.258 -44.360 -5.546 450 H CYS 55 HN CYS 55 14.026 -41.891 -3.303 451 HA CYS 55 HA CYS 55 14.587 -39.885 -5.127 452 1HB CYS 55 HB1 CYS 55 12.843 -39.680 -3.482 453 2HB CYS 55 HB2 CYS 55 14.003 -39.768 -2.181 454 OH TYR 56 OH TYR 56 24.002 -41.540 0.156 455 H TYR 56 HN TYR 56 16.350 -40.342 -2.030 456 HA TYR 56 HA TYR 56 18.435 -38.547 -2.432 457 1HB TYR 56 HB1 TYR 56 18.306 -39.461 -0.338 458 2HB TYR 56 HB2 TYR 56 18.057 -41.085 -0.927 459 HD1 TYR 56 HD1 TYR 56 20.741 -38.501 -0.440 460 HD2 TYR 56 HD2 TYR 56 19.852 -42.592 -1.179 461 HE1 TYR 56 HE1 TYR 56 23.061 -39.129 0.142 462 HE2 TYR 56 HE2 TYR 56 22.163 -43.195 -0.576 463 HH TYR 56 HH TYR 56 24.062 -42.522 0.201 464 H ILE 57 HN ILE 57 18.550 -42.001 -3.521 465 HA ILE 57 HA ILE 57 20.853 -41.763 -5.129 466 HB ILE 57 HB ILE 57 18.382 -43.412 -5.721 467 1HG1 ILE 57 HG11 ILE 57 19.111 -44.120 -3.618 468 2HG1 ILE 57 HG12 ILE 57 19.647 -45.338 -4.750 469 1HG2 ILE 57 HG23 ILE 57 21.149 -43.822 -6.886 470 2HG2 ILE 57 HG21 ILE 57 19.819 -44.967 -7.016 471 3HG2 ILE 57 HG22 ILE 57 19.692 -43.391 -7.768 472 1HD1 ILE 57 HD11 ILE 57 21.943 -44.334 -4.690 473 2HD1 ILE 57 HD12 ILE 57 21.349 -43.167 -3.514 474 3HD1 ILE 57 HD13 ILE 57 21.405 -44.879 -3.099 475 H ALA 58 HN ALA 58 17.575 -41.216 -6.204 476 HA ALA 58 HA ALA 58 18.050 -40.300 -8.830 477 1HB ALA 58 HB1 ALA 58 15.827 -40.816 -8.011 478 2HB ALA 58 HB2 ALA 58 15.855 -39.403 -6.963 479 3HB ALA 58 HB3 ALA 58 15.881 -39.211 -8.715 480 H ASN 59 HN ASN 59 17.863 -38.206 -5.903 481 HA ASN 59 HA ASN 59 18.609 -35.833 -7.303 482 1HB ASN 59 HB1 ASN 59 18.494 -36.429 -4.365 483 2HB ASN 59 HB2 ASN 59 19.026 -34.875 -5.004 484 1HD2 ASN 59 HD21 ASN 59 15.102 -35.812 -5.121 485 2HD2 ASN 59 HD22 ASN 59 16.247 -37.107 -4.924 486 H GLN 60 HN GLN 60 20.731 -38.272 -5.779 487 HA GLN 60 HA GLN 60 23.133 -36.887 -6.436 488 1HB GLN 60 HB1 GLN 60 22.573 -39.866 -6.302 489 2HB GLN 60 HB2 GLN 60 24.176 -39.166 -6.457 490 1HG GLN 60 HG1 GLN 60 23.957 -38.069 -4.268 491 2HG GLN 60 HG2 GLN 60 22.288 -38.604 -4.134 492 1HE2 GLN 60 HE21 GLN 60 24.851 -40.955 -2.479 493 2HE2 GLN 60 HE22 GLN 60 25.021 -39.238 -2.655 494 H VAL 61 HN VAL 61 21.234 -39.209 -8.402 495 HA VAL 61 HA VAL 61 22.817 -38.972 -10.742 496 HB VAL 61 HB VAL 61 19.952 -39.882 -10.456 497 1HG1 VAL 61 HG11 VAL 61 21.810 -40.282 -12.835 498 2HG1 VAL 61 HG12 VAL 61 20.239 -41.046 -12.625 499 3HG1 VAL 61 HG13 VAL 61 20.343 -39.310 -12.840 500 1HG2 VAL 61 HG22 VAL 61 22.546 -41.456 -10.683 501 2HG2 VAL 61 HG23 VAL 61 21.551 -41.298 -9.238 502 3HG2 VAL 61 HG21 VAL 61 20.931 -42.157 -10.640 503 NH1 ARG 62 NH1 ARG 62 14.448 -33.362 -7.161 504 NH2 ARG 62 NH2 ARG 62 13.721 -33.564 -9.234 505 H ARG 62 HN ARG 62 19.646 -37.240 -10.138 506 HA ARG 62 HA ARG 62 19.862 -35.866 -12.630 507 1HB ARG 62 HB1 ARG 62 17.905 -34.664 -12.104 508 2HB ARG 62 HB2 ARG 62 17.703 -36.335 -11.639 509 1HG ARG 62 HG1 ARG 62 18.076 -35.687 -9.264 510 2HG ARG 62 HG2 ARG 62 18.156 -33.994 -9.741 511 1HD ARG 62 HD1 ARG 62 15.837 -34.260 -10.714 512 2HD ARG 62 HD2 ARG 62 15.780 -35.865 -10.003 513 HE ARG 62 HE ARG 62 16.386 -34.303 -7.821 514 1HH1 ARG 62 HH12 ARG 62 15.197 -33.542 -6.512 515 2HH1 ARG 62 HH11 ARG 62 13.587 -32.898 -6.890 516 1HH2 ARG 62 HH22 ARG 62 13.892 -33.778 -10.202 517 2HH2 ARG 62 HH21 ARG 62 12.815 -33.226 -8.945 518 H ALA 63 HN ALA 63 21.334 -34.996 -9.598 519 HA ALA 63 HA ALA 63 22.050 -32.338 -10.465 520 1HB ALA 63 HB2 ALA 63 21.986 -32.937 -8.086 521 2HB ALA 63 HB3 ALA 63 23.242 -34.144 -8.328 522 3HB ALA 63 HB1 ALA 63 23.612 -32.433 -8.539 523 H GLU 64 HN GLU 64 23.548 -35.513 -10.778 524 HA GLU 64 HA GLU 64 25.986 -34.511 -12.027 525 1HB GLU 64 HB1 GLU 64 25.858 -36.500 -10.497 526 2HB GLU 64 HB2 GLU 64 24.881 -37.327 -11.685 527 1HG GLU 64 HG1 GLU 64 26.961 -36.994 -13.296 528 2HG GLU 64 HG2 GLU 64 27.836 -36.636 -11.818 529 H GLN 65 HN GLN 65 23.101 -36.367 -13.136 530 HA GLN 65 HA GLN 65 23.896 -35.807 -15.947 531 1HB GLN 65 HB1 GLN 65 22.639 -38.285 -14.728 532 2HB GLN 65 HB2 GLN 65 22.697 -38.006 -16.455 533 1HG GLN 65 HG1 GLN 65 25.125 -38.107 -16.482 534 2HG GLN 65 HG2 GLN 65 25.204 -38.147 -14.730 535 1HE2 GLN 65 HE21 GLN 65 25.026 -41.640 -14.741 536 2HE2 GLN 65 HE22 GLN 65 25.574 -40.206 -13.908 Start of MODEL 23 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 24.463 -43.744 -4.880 2 2H MET 1 HT2 MET 1 24.838 -42.613 -3.653 3 3H MET 1 HT1 MET 1 25.702 -42.603 -5.112 4 HA MET 1 HA MET 1 26.631 -44.763 -4.610 5 1HB MET 1 HB1 MET 1 27.647 -42.565 -3.974 6 2HB MET 1 HB2 MET 1 26.973 -42.750 -2.369 7 1HG MET 1 HG1 MET 1 28.356 -44.779 -2.020 8 2HG MET 1 HG2 MET 1 28.990 -44.633 -3.647 9 1HE MET 1 HE1 MET 1 30.174 -42.334 -4.481 10 2HE MET 1 HE2 MET 1 31.567 -41.890 -3.515 11 3HE MET 1 HE3 MET 1 31.366 -43.565 -4.013 12 H LEU 2 HN LEU 2 24.229 -43.855 -2.111 13 HA LEU 2 HA LEU 2 24.758 -46.015 -0.369 14 1HB LEU 2 HB1 LEU 2 22.672 -43.926 -0.577 15 2HB LEU 2 HB2 LEU 2 22.263 -45.341 0.350 16 HG LEU 2 HG LEU 2 24.245 -44.973 1.792 17 1HD1 LEU 2 HD13 LEU 2 24.569 -42.363 0.292 18 2HD1 LEU 2 HD11 LEU 2 25.412 -42.801 1.777 19 3HD1 LEU 2 HD12 LEU 2 25.729 -43.688 0.296 20 1HD2 LEU 2 HD23 LEU 2 22.052 -44.098 2.443 21 2HD2 LEU 2 HD21 LEU 2 23.319 -43.002 2.972 22 3HD2 LEU 2 HD22 LEU 2 22.354 -42.611 1.552 23 H GLN 3 HN GLN 3 24.902 -47.409 -2.285 24 HA GLN 3 HA GLN 3 22.873 -48.883 -3.472 25 1HB GLN 3 HB1 GLN 3 25.344 -48.847 -3.939 26 2HB GLN 3 HB2 GLN 3 25.603 -49.837 -2.523 27 1HG GLN 3 HG1 GLN 3 25.723 -51.230 -4.490 28 2HG GLN 3 HG2 GLN 3 24.272 -51.673 -3.620 29 1HE2 GLN 3 HE21 GLN 3 22.576 -51.398 -6.664 30 2HE2 GLN 3 HE22 GLN 3 23.023 -52.418 -5.310 31 H LYS 4 HN LYS 4 24.313 -49.380 -0.325 32 HA LYS 4 HA LYS 4 23.006 -51.720 0.517 33 1HB LYS 4 HB1 LYS 4 24.996 -50.591 1.566 34 2HB LYS 4 HB2 LYS 4 23.914 -49.384 2.235 35 1HG LYS 4 HG1 LYS 4 22.754 -51.133 3.547 36 2HG LYS 4 HG2 LYS 4 23.765 -52.366 2.816 37 1HD LYS 4 HD1 LYS 4 25.769 -51.304 3.823 38 2HD LYS 4 HD2 LYS 4 24.750 -50.092 4.571 39 1HE LYS 4 HE1 LYS 4 24.419 -53.056 5.092 40 2HE LYS 4 HE2 LYS 4 25.506 -52.047 6.034 41 1HZ LYS 4 HZ3 LYS 4 23.614 -50.604 6.551 42 2HZ LYS 4 HZ1 LYS 4 22.503 -51.623 5.744 43 3HZ LYS 4 HZ2 LYS 4 23.360 -52.178 7.103 44 H LYS 5 HN LYS 5 21.836 -48.313 0.822 45 HA LYS 5 HA LYS 5 19.448 -49.060 2.215 46 1HB LYS 5 HB1 LYS 5 20.382 -46.519 0.909 47 2HB LYS 5 HB2 LYS 5 18.727 -46.669 1.456 48 1HG LYS 5 HG1 LYS 5 21.031 -47.267 3.323 49 2HG LYS 5 HG2 LYS 5 20.449 -45.630 3.088 50 1HD LYS 5 HD1 LYS 5 18.261 -46.171 3.906 51 2HD LYS 5 HD2 LYS 5 18.592 -47.885 3.924 52 1HE LYS 5 HE1 LYS 5 20.020 -45.889 5.691 53 2HE LYS 5 HE2 LYS 5 18.569 -46.770 6.163 54 1HZ LYS 5 HZ3 LYS 5 19.769 -48.898 5.585 55 2HZ LYS 5 HZ1 LYS 5 21.160 -47.954 5.345 56 3HZ LYS 5 HZ2 LYS 5 20.467 -48.026 6.888 57 H ILE 6 HN ILE 6 20.056 -48.340 -1.235 58 HA ILE 6 HA ILE 6 17.459 -48.927 -2.211 59 HB ILE 6 HB ILE 6 19.874 -50.053 -3.697 60 1HG1 ILE 6 HG11 ILE 6 18.943 -47.234 -4.154 61 2HG1 ILE 6 HG12 ILE 6 20.330 -47.627 -3.153 62 1HG2 ILE 6 HG23 ILE 6 17.161 -49.005 -4.664 63 2HG2 ILE 6 HG21 ILE 6 18.412 -49.639 -5.711 64 3HG2 ILE 6 HG22 ILE 6 17.634 -50.684 -4.558 65 1HD1 ILE 6 HD13 ILE 6 21.393 -48.787 -5.112 66 2HD1 ILE 6 HD11 ILE 6 20.051 -48.278 -6.124 67 3HD1 ILE 6 HD12 ILE 6 21.114 -47.084 -5.407 68 H GLU 7 HN GLU 7 20.190 -51.230 -1.781 69 HA GLU 7 HA GLU 7 18.522 -53.519 -2.168 70 1HB GLU 7 HB1 GLU 7 21.388 -53.145 -1.374 71 2HB GLU 7 HB2 GLU 7 20.634 -54.735 -1.305 72 1HG GLU 7 HG1 GLU 7 20.031 -54.588 -3.705 73 2HG GLU 7 HG2 GLU 7 20.714 -52.973 -3.800 74 H GLU 8 HN GLU 8 19.007 -51.774 0.921 75 HA GLU 8 HA GLU 8 17.860 -53.955 2.359 76 1HB GLU 8 HB1 GLU 8 18.001 -50.988 2.925 77 2HB GLU 8 HB2 GLU 8 17.156 -52.081 4.007 78 1HG GLU 8 HG1 GLU 8 19.155 -53.317 4.516 79 2HG GLU 8 HG2 GLU 8 20.022 -52.628 3.165 80 H GLU 9 HN GLU 9 16.222 -51.248 0.650 81 HA GLU 9 HA GLU 9 13.549 -52.446 1.248 82 1HB GLU 9 HB1 GLU 9 14.259 -50.104 -0.489 83 2HB GLU 9 HB2 GLU 9 12.658 -50.586 0.039 84 1HG GLU 9 HG1 GLU 9 14.922 -49.764 1.939 85 2HG GLU 9 HG2 GLU 9 13.697 -48.672 1.390 86 H ALA 10 HN ALA 10 15.236 -51.891 -1.775 87 HA ALA 10 HA ALA 10 13.973 -54.132 -3.122 88 1HB ALA 10 HB3 ALA 10 16.437 -52.529 -3.789 89 2HB ALA 10 HB1 ALA 10 15.673 -53.692 -4.867 90 3HB ALA 10 HB2 ALA 10 14.797 -52.238 -4.368 91 H ALA 11 HN ALA 11 16.419 -54.725 -0.611 92 HA ALA 11 HA ALA 11 16.938 -57.299 -1.512 93 1HB ALA 11 HB2 ALA 11 17.712 -56.416 0.677 94 2HB ALA 11 HB3 ALA 11 16.075 -56.483 1.303 95 3HB ALA 11 HB1 ALA 11 16.913 -57.980 0.878 96 H LYS 12 HN LYS 12 13.912 -56.017 -0.333 97 HA LYS 12 HA LYS 12 12.961 -58.389 0.851 98 1HB LYS 12 HB1 LYS 12 11.588 -55.779 0.169 99 2HB LYS 12 HB2 LYS 12 10.830 -57.069 1.098 100 1HG LYS 12 HG1 LYS 12 12.616 -56.928 2.796 101 2HG LYS 12 HG2 LYS 12 13.446 -55.701 1.861 102 1HD LYS 12 HD1 LYS 12 11.639 -54.114 2.219 103 2HD LYS 12 HD2 LYS 12 10.679 -55.330 3.039 104 1HE LYS 12 HE1 LYS 12 11.579 -54.162 4.822 105 2HE LYS 12 HE2 LYS 12 12.691 -55.510 4.681 106 1HZ LYS 12 HZ1 LYS 12 14.154 -53.965 3.246 107 2HZ LYS 12 HZ2 LYS 12 13.120 -52.681 3.681 108 3HZ LYS 12 HZ3 LYS 12 13.966 -53.537 4.874 109 OH TYR 13 OH TYR 13 13.947 -55.670 -8.206 110 H TYR 13 HN TYR 13 11.623 -56.882 -2.110 111 HA TYR 13 HA TYR 13 10.888 -57.697 -4.038 112 1HB TYR 13 HB1 TYR 13 13.129 -59.442 -3.343 113 2HB TYR 13 HB2 TYR 13 12.036 -60.164 -4.504 114 HD1 TYR 13 HD1 TYR 13 12.245 -59.557 -6.766 115 HD2 TYR 13 HD2 TYR 13 13.822 -56.844 -3.874 116 HE1 TYR 13 HE1 TYR 13 12.963 -58.029 -8.555 117 HE2 TYR 13 HE2 TYR 13 14.545 -55.381 -5.669 118 HH TYR 13 HH TYR 13 14.393 -54.861 -7.863 119 H LYS 14 HN LYS 14 10.293 -60.151 -1.585 120 HA LYS 14 HA LYS 14 7.779 -60.981 -2.754 121 1HB LYS 14 HB1 LYS 14 7.061 -61.480 -0.367 122 2HB LYS 14 HB2 LYS 14 8.392 -62.413 -1.024 123 1HG LYS 14 HG1 LYS 14 9.994 -61.224 0.331 124 2HG LYS 14 HG2 LYS 14 8.802 -60.027 0.806 125 1HD LYS 14 HD1 LYS 14 7.543 -61.693 2.059 126 2HD LYS 14 HD2 LYS 14 8.633 -62.965 1.534 127 1HE LYS 14 HE1 LYS 14 10.341 -62.308 2.932 128 2HE LYS 14 HE2 LYS 14 9.864 -60.614 2.919 129 1HZ LYS 14 HZ3 LYS 14 8.291 -62.769 4.214 130 2HZ LYS 14 HZ1 LYS 14 9.353 -61.745 5.041 131 3HZ LYS 14 HZ2 LYS 14 7.958 -61.089 4.323 132 OH TYR 15 OH TYR 15 6.807 -60.096 4.573 133 H TYR 15 HN TYR 15 8.673 -58.313 -0.618 134 HA TYR 15 HA TYR 15 6.073 -57.031 -0.977 135 1HB TYR 15 HB1 TYR 15 8.484 -55.910 0.454 136 2HB TYR 15 HB2 TYR 15 6.822 -55.371 0.563 137 HD1 TYR 15 HD1 TYR 15 9.006 -56.718 2.614 138 HD2 TYR 15 HD2 TYR 15 5.321 -57.978 0.908 139 HE1 TYR 15 HE1 TYR 15 8.726 -58.378 4.402 140 HE2 TYR 15 HE2 TYR 15 5.027 -59.573 2.719 141 HH TYR 15 HH TYR 15 5.910 -60.449 4.560 142 H ALA 16 HN ALA 16 6.479 -57.366 -3.136 143 HA ALA 16 HA ALA 16 8.242 -56.081 -4.861 144 1HB ALA 16 HB3 ALA 16 5.434 -57.124 -5.350 145 2HB ALA 16 HB1 ALA 16 6.612 -56.745 -6.604 146 3HB ALA 16 HB2 ALA 16 6.935 -58.040 -5.458 147 H MET 17 HN MET 17 5.087 -54.993 -3.765 148 HA MET 17 HA MET 17 4.891 -52.632 -5.352 149 1HB MET 17 HB1 MET 17 3.029 -53.902 -4.235 150 2HB MET 17 HB2 MET 17 3.573 -53.274 -2.692 151 1HG MET 17 HG1 MET 17 3.048 -50.994 -3.370 152 2HG MET 17 HG2 MET 17 2.674 -51.517 -5.001 153 1HE MET 17 HE1 MET 17 0.646 -53.355 -5.482 154 2HE MET 17 HE2 MET 17 -0.874 -52.710 -4.888 155 3HE MET 17 HE3 MET 17 0.245 -51.639 -5.716 156 H LEU 18 HN LEU 18 6.452 -53.265 -2.252 157 HA LEU 18 HA LEU 18 6.808 -50.458 -1.600 158 1HB LEU 18 HB1 LEU 18 8.030 -52.866 -0.221 159 2HB LEU 18 HB2 LEU 18 7.930 -51.229 0.398 160 HG LEU 18 HG LEU 18 5.616 -53.138 -0.036 161 1HD1 LEU 18 HD13 LEU 18 6.956 -53.624 1.958 162 2HD1 LEU 18 HD11 LEU 18 6.799 -51.958 2.484 163 3HD1 LEU 18 HD12 LEU 18 5.378 -52.994 2.414 164 1HD2 LEU 18 HD21 LEU 18 5.529 -50.284 0.964 165 2HD2 LEU 18 HD22 LEU 18 4.854 -50.866 -0.548 166 3HD2 LEU 18 HD23 LEU 18 4.168 -51.411 0.981 167 H LYS 19 HN LYS 19 9.255 -53.100 -2.329 168 HA LYS 19 HA LYS 19 11.178 -51.268 -3.135 169 1HB LYS 19 HB1 LYS 19 12.251 -52.991 -4.359 170 2HB LYS 19 HB2 LYS 19 11.518 -53.725 -2.957 171 1HG LYS 19 HG1 LYS 19 10.927 -55.321 -4.477 172 2HG LYS 19 HG2 LYS 19 9.568 -54.245 -4.739 173 1HD LYS 19 HD1 LYS 19 10.753 -53.222 -6.671 174 2HD LYS 19 HD2 LYS 19 12.105 -54.285 -6.393 175 1HE LYS 19 HE1 LYS 19 10.490 -56.224 -6.782 176 2HE LYS 19 HE2 LYS 19 9.312 -55.010 -7.296 177 1HZ LYS 19 HZ3 LYS 19 10.936 -54.174 -8.878 178 2HZ LYS 19 HZ1 LYS 19 12.071 -55.344 -8.404 179 3HZ LYS 19 HZ2 LYS 19 10.639 -55.815 -9.185 180 H LYS 20 HN LYS 20 8.338 -52.211 -5.235 181 HA LYS 20 HA LYS 20 9.230 -50.623 -7.393 182 1HB LYS 20 HB1 LYS 20 7.057 -52.272 -6.968 183 2HB LYS 20 HB2 LYS 20 6.292 -50.705 -7.072 184 1HG LYS 20 HG1 LYS 20 8.141 -50.737 -9.226 185 2HG LYS 20 HG2 LYS 20 7.511 -52.365 -9.164 186 1HD LYS 20 HD1 LYS 20 5.892 -51.523 -10.498 187 2HD LYS 20 HD2 LYS 20 5.174 -50.978 -9.003 188 1HE LYS 20 HE1 LYS 20 6.981 -49.312 -10.782 189 2HE LYS 20 HE2 LYS 20 5.227 -49.229 -10.760 190 1HZ LYS 20 HZ3 LYS 20 5.327 -48.564 -8.419 191 2HZ LYS 20 HZ1 LYS 20 7.010 -48.624 -8.423 192 3HZ LYS 20 HZ2 LYS 20 6.228 -47.466 -9.334 193 H CYS 21 HN CYS 21 7.322 -49.502 -4.436 194 HA CYS 21 HA CYS 21 7.403 -46.807 -5.190 195 1HB CYS 21 HB1 CYS 21 7.465 -48.148 -2.531 196 2HB CYS 21 HB2 CYS 21 7.663 -46.415 -2.628 197 H CYS 22 HN CYS 22 10.108 -48.614 -3.602 198 HA CYS 22 HA CYS 22 12.172 -46.664 -3.930 199 1HB CYS 22 HB1 CYS 22 12.257 -49.208 -3.145 200 2HB CYS 22 HB2 CYS 22 13.123 -49.232 -4.644 201 OH TYR 23 OH TYR 23 14.895 -53.251 -7.511 202 H TYR 23 HN TYR 23 10.988 -48.675 -6.463 203 HA TYR 23 HA TYR 23 12.693 -47.324 -8.308 204 1HB TYR 23 HB1 TYR 23 10.439 -49.215 -8.803 205 2HB TYR 23 HB2 TYR 23 11.665 -48.735 -9.959 206 HD1 TYR 23 HD1 TYR 23 11.518 -51.355 -9.750 207 HD2 TYR 23 HD2 TYR 23 13.403 -49.084 -6.608 208 HE1 TYR 23 HE1 TYR 23 13.103 -53.208 -9.327 209 HE2 TYR 23 HE2 TYR 23 14.976 -50.890 -6.325 210 HH TYR 23 HH TYR 23 15.575 -52.970 -6.891 211 H ASP 24 HN ASP 24 9.259 -46.717 -7.591 212 HA ASP 24 HA ASP 24 8.891 -44.449 -9.236 213 1HB ASP 24 HB1 ASP 24 7.869 -44.706 -6.381 214 2HB ASP 24 HB2 ASP 24 7.344 -43.572 -7.594 215 H GLY 25 HN GLY 25 10.429 -44.520 -6.010 216 1HA GLY 25 HA1 GLY 25 11.231 -41.795 -5.944 217 2HA GLY 25 HA2 GLY 25 11.926 -43.077 -4.987 218 H ALA 26 HN ALA 26 13.089 -44.642 -7.034 219 HA ALA 26 HA ALA 26 15.426 -43.280 -7.822 220 1HB ALA 26 HB1 ALA 26 15.309 -45.718 -7.634 221 2HB ALA 26 HB2 ALA 26 14.206 -45.791 -9.007 222 3HB ALA 26 HB3 ALA 26 15.868 -45.255 -9.238 223 OH TYR 27 OH TYR 27 9.071 -40.660 -16.459 224 H TYR 27 HN TYR 27 12.452 -43.851 -9.764 225 HA TYR 27 HA TYR 27 13.305 -42.414 -12.044 226 1HB TYR 27 HB1 TYR 27 11.407 -44.016 -11.908 227 2HB TYR 27 HB2 TYR 27 10.518 -42.863 -10.943 228 HD1 TYR 27 HD1 TYR 27 9.040 -41.387 -12.041 229 HD2 TYR 27 HD2 TYR 27 12.185 -43.110 -14.321 230 HE1 TYR 27 HE1 TYR 27 8.085 -40.427 -14.104 231 HE2 TYR 27 HE2 TYR 27 11.247 -42.114 -16.356 232 HH TYR 27 HH TYR 27 9.647 -40.822 -17.208 233 NH1 ARG 28 NH1 ARG 28 10.356 -35.491 -9.836 234 NH2 ARG 28 NH2 ARG 28 10.354 -37.562 -10.536 235 H ARG 28 HN ARG 28 14.435 -40.652 -10.505 236 HA ARG 28 HA ARG 28 12.643 -38.324 -10.776 237 1HB ARG 28 HB1 ARG 28 15.194 -38.342 -9.207 238 2HB ARG 28 HB2 ARG 28 14.148 -36.966 -9.448 239 1HG ARG 28 HG1 ARG 28 13.624 -39.408 -7.770 240 2HG ARG 28 HG2 ARG 28 13.705 -37.737 -7.268 241 1HD ARG 28 HD1 ARG 28 11.463 -39.089 -8.766 242 2HD ARG 28 HD2 ARG 28 11.441 -38.516 -7.120 243 HE ARG 28 HE ARG 28 11.588 -36.177 -8.042 244 1HH1 ARG 28 HH12 ARG 28 10.594 -34.766 -9.164 245 2HH1 ARG 28 HH11 ARG 28 9.857 -35.248 -10.676 246 1HH2 ARG 28 HH22 ARG 28 10.588 -38.532 -10.423 247 2HH2 ARG 28 HH21 ARG 28 9.873 -37.240 -11.363 248 H ASN 29 HN ASN 29 12.807 -37.040 -12.347 249 HA ASN 29 HA ASN 29 15.182 -36.683 -13.975 250 1HB ASN 29 HB1 ASN 29 14.291 -37.727 -16.022 251 2HB ASN 29 HB2 ASN 29 14.487 -38.904 -14.743 252 1HD2 ASN 29 HD21 ASN 29 10.772 -38.844 -14.321 253 2HD2 ASN 29 HD22 ASN 29 12.198 -39.255 -13.425 254 H ASP 30 HN ASP 30 11.702 -36.207 -13.830 255 HA ASP 30 HA ASP 30 11.450 -34.255 -15.811 256 1HB ASP 30 HB1 ASP 30 9.153 -33.874 -14.703 257 2HB ASP 30 HB2 ASP 30 9.523 -35.490 -15.286 258 H ASP 31 HN ASP 31 10.672 -33.293 -12.467 259 HA ASP 31 HA ASP 31 12.234 -30.917 -12.417 260 1HB ASP 31 HB1 ASP 31 10.455 -29.222 -12.801 261 2HB ASP 31 HB2 ASP 31 10.788 -30.165 -14.240 262 H GLU 32 HN GLU 32 9.305 -32.541 -11.208 263 HA GLU 32 HA GLU 32 8.901 -30.848 -8.967 264 1HB GLU 32 HB1 GLU 32 7.865 -33.613 -9.630 265 2HB GLU 32 HB2 GLU 32 7.332 -32.686 -8.241 266 1HG GLU 32 HG1 GLU 32 6.697 -30.824 -9.973 267 2HG GLU 32 HG2 GLU 32 6.874 -32.081 -11.185 268 H THR 33 HN THR 33 9.016 -31.295 -6.741 269 HA THR 33 HA THR 33 11.382 -32.751 -5.876 270 HB THR 33 HB THR 33 10.845 -32.029 -3.598 271 HG1 THR 33 HG1 THR 33 8.548 -30.809 -4.795 272 1HG2 THR 33 HG23 THR 33 10.577 -29.746 -5.566 273 2HG2 THR 33 HG21 THR 33 11.009 -29.615 -3.865 274 3HG2 THR 33 HG22 THR 33 12.096 -30.437 -4.988 275 H CYS 34 HN CYS 34 11.403 -34.601 -4.517 276 HA CYS 34 HA CYS 34 9.512 -36.532 -5.390 277 1HB CYS 34 HB1 CYS 34 10.798 -38.170 -4.293 278 2HB CYS 34 HB2 CYS 34 11.876 -37.036 -5.058 279 H GLU 35 HN GLU 35 9.806 -34.805 -2.378 280 HA GLU 35 HA GLU 35 7.824 -36.351 -0.993 281 1HB GLU 35 HB1 GLU 35 7.750 -34.436 0.665 282 2HB GLU 35 HB2 GLU 35 9.221 -35.345 0.519 283 1HG GLU 35 HG1 GLU 35 8.916 -32.677 -0.913 284 2HG GLU 35 HG2 GLU 35 9.390 -32.757 0.776 285 H GLU 36 HN GLU 36 7.377 -33.465 -3.086 286 HA GLU 36 HA GLU 36 4.601 -33.229 -2.333 287 1HB GLU 36 HB1 GLU 36 4.364 -31.569 -3.927 288 2HB GLU 36 HB2 GLU 36 6.023 -31.411 -3.399 289 1HG GLU 36 HG1 GLU 36 6.683 -32.735 -5.515 290 2HG GLU 36 HG2 GLU 36 5.029 -32.482 -6.059 291 NH1 ARG 37 NH1 ARG 37 7.485 -41.263 -9.825 292 NH2 ARG 37 NH2 ARG 37 8.904 -40.134 -8.642 293 H ARG 37 HN ARG 37 6.304 -34.835 -4.924 294 HA ARG 37 HA ARG 37 4.133 -36.116 -6.214 295 1HB ARG 37 HB1 ARG 37 6.369 -35.738 -7.178 296 2HB ARG 37 HB2 ARG 37 7.073 -36.841 -6.015 297 1HG ARG 37 HG1 ARG 37 5.962 -38.737 -7.030 298 2HG ARG 37 HG2 ARG 37 5.013 -37.696 -8.074 299 1HD ARG 37 HD1 ARG 37 6.946 -37.068 -9.346 300 2HD ARG 37 HD2 ARG 37 8.041 -37.756 -8.170 301 HE ARG 37 HE ARG 37 6.184 -39.336 -9.906 302 1HH1 ARG 37 HH12 ARG 37 6.626 -41.354 -10.308 303 2HH1 ARG 37 HH11 ARG 37 8.149 -41.994 -9.758 304 1HH2 ARG 37 HH22 ARG 37 9.184 -39.282 -8.233 305 2HH2 ARG 37 HH21 ARG 37 9.471 -40.978 -8.593 306 H ALA 38 HN ALA 38 6.349 -37.462 -3.626 307 HA ALA 38 HA ALA 38 4.482 -39.587 -3.170 308 1HB ALA 38 HB3 ALA 38 7.103 -38.961 -1.918 309 2HB ALA 38 HB1 ALA 38 6.070 -40.335 -1.467 310 3HB ALA 38 HB2 ALA 38 6.626 -40.187 -3.126 311 H ALA 39 HN ALA 39 4.414 -36.371 -1.668 312 HA ALA 39 HA ALA 39 2.417 -37.195 0.139 313 1HB ALA 39 HB1 ALA 39 3.277 -34.904 0.076 314 2HB ALA 39 HB2 ALA 39 2.558 -34.655 -1.512 315 3HB ALA 39 HB3 ALA 39 1.523 -34.901 -0.105 316 NH1 ARG 40 NH1 ARG 40 2.506 -32.578 -7.672 317 NH2 ARG 40 NH2 ARG 40 2.728 -34.452 -8.791 318 H ARG 40 HN ARG 40 2.160 -36.767 -3.408 319 HA ARG 40 HA ARG 40 -0.572 -37.686 -3.496 320 1HB ARG 40 HB1 ARG 40 1.494 -37.918 -5.683 321 2HB ARG 40 HB2 ARG 40 -0.251 -38.002 -5.881 322 1HG ARG 40 HG1 ARG 40 -0.470 -35.631 -5.291 323 2HG ARG 40 HG2 ARG 40 1.246 -35.532 -4.918 324 1HD ARG 40 HD1 ARG 40 1.598 -36.349 -7.357 325 2HD ARG 40 HD2 ARG 40 -0.069 -35.824 -7.612 326 HE ARG 40 HE ARG 40 0.861 -33.636 -6.446 327 1HH1 ARG 40 HH12 ARG 40 2.080 -32.046 -6.959 328 2HH1 ARG 40 HH11 ARG 40 3.222 -32.176 -8.280 329 1HH2 ARG 40 HH22 ARG 40 2.433 -35.379 -8.944 330 2HH2 ARG 40 HH21 ARG 40 3.446 -34.023 -9.361 331 H ILE 41 HN ILE 41 2.412 -39.649 -4.179 332 HA ILE 41 HA ILE 41 1.189 -42.109 -4.051 333 HB ILE 41 HB ILE 41 4.153 -41.648 -3.599 334 1HG1 ILE 41 HG11 ILE 41 3.691 -42.984 -6.002 335 2HG1 ILE 41 HG12 ILE 41 2.336 -41.843 -5.950 336 1HG2 ILE 41 HG22 ILE 41 2.693 -44.154 -4.010 337 2HG2 ILE 41 HG23 ILE 41 4.469 -43.784 -4.162 338 3HG2 ILE 41 HG21 ILE 41 3.626 -43.679 -2.579 339 1HD1 ILE 41 HD12 ILE 41 5.116 -41.062 -5.327 340 2HD1 ILE 41 HD13 ILE 41 4.489 -41.002 -7.006 341 3HD1 ILE 41 HD11 ILE 41 3.795 -39.995 -5.724 342 H LYS 42 HN LYS 42 -0.037 -42.262 -2.782 343 HA LYS 42 HA LYS 42 -0.044 -41.864 0.115 344 1HB LYS 42 HB1 LYS 42 -2.034 -41.916 -1.967 345 2HB LYS 42 HB2 LYS 42 -2.506 -43.112 -0.789 346 1HG LYS 42 HG1 LYS 42 -3.576 -41.192 -0.030 347 2HG LYS 42 HG2 LYS 42 -2.144 -41.245 0.981 348 1HD LYS 42 HD1 LYS 42 -1.033 -39.651 -0.644 349 2HD LYS 42 HD2 LYS 42 -2.558 -39.547 -1.500 350 1HE LYS 42 HE1 LYS 42 -3.623 -38.663 0.577 351 2HE LYS 42 HE2 LYS 42 -2.046 -38.726 1.374 352 1HZ LYS 42 HZ2 LYS 42 -1.135 -37.373 -0.539 353 2HZ LYS 42 HZ3 LYS 42 -2.743 -37.201 -1.071 354 3HZ LYS 42 HZ1 LYS 42 -2.298 -36.541 0.425 355 H ILE 43 HN ILE 43 0.948 -44.553 -1.520 356 HA ILE 43 HA ILE 43 -0.921 -46.549 -0.870 357 HB ILE 43 HB ILE 43 1.948 -46.824 -1.745 358 1HG1 ILE 43 HG11 ILE 43 0.803 -45.535 -3.406 359 2HG1 ILE 43 HG12 ILE 43 1.129 -47.127 -4.025 360 1HG2 ILE 43 HG22 ILE 43 -0.222 -48.926 -1.874 361 2HG2 ILE 43 HG23 ILE 43 1.343 -49.030 -2.672 362 3HG2 ILE 43 HG21 ILE 43 1.255 -48.989 -0.924 363 1HD1 ILE 43 HD12 ILE 43 -1.263 -47.751 -3.710 364 2HD1 ILE 43 HD13 ILE 43 -1.596 -46.139 -3.084 365 3HD1 ILE 43 HD11 ILE 43 -1.079 -46.348 -4.749 366 H GLY 44 HN GLY 44 2.130 -45.854 0.888 367 1HA GLY 44 HA1 GLY 44 0.960 -46.699 3.306 368 2HA GLY 44 HA2 GLY 44 1.973 -47.998 2.723 369 HA PRO 45 HA PRO 45 4.463 -44.649 5.340 370 1HB PRO 45 HB1 PRO 45 4.525 -47.131 7.092 371 2HB PRO 45 HB2 PRO 45 4.677 -45.424 7.551 372 1HG PRO 45 HG1 PRO 45 2.324 -46.565 7.846 373 2HG PRO 45 HG2 PRO 45 2.376 -44.980 7.045 374 1HD PRO 45 HD1 PRO 45 2.182 -47.734 5.785 375 2HD PRO 45 HD2 PRO 45 1.244 -46.264 5.436 376 H LYS 46 HN LYS 46 5.112 -48.137 5.036 377 HA LYS 46 HA LYS 46 7.911 -47.834 4.617 378 1HB LYS 46 HB1 LYS 46 6.023 -50.140 4.389 379 2HB LYS 46 HB2 LYS 46 7.626 -50.276 3.719 380 1HG LYS 46 HG1 LYS 46 8.048 -49.180 6.306 381 2HG LYS 46 HG2 LYS 46 6.732 -50.298 6.524 382 1HD LYS 46 HD1 LYS 46 8.911 -51.338 6.992 383 2HD LYS 46 HD2 LYS 46 8.048 -52.150 5.711 384 1HE LYS 46 HE1 LYS 46 10.464 -52.011 5.281 385 2HE LYS 46 HE2 LYS 46 9.543 -51.222 4.023 386 1HZ LYS 46 HZ2 LYS 46 9.912 -49.116 5.256 387 2HZ LYS 46 HZ3 LYS 46 10.994 -49.932 6.268 388 3HZ LYS 46 HZ1 LYS 46 11.324 -49.750 4.593 389 H CYS 47 HN CYS 47 5.268 -47.630 2.356 390 HA CYS 47 HA CYS 47 6.874 -47.904 -0.014 391 1HB CYS 47 HB1 CYS 47 4.096 -47.638 0.503 392 2HB CYS 47 HB2 CYS 47 4.521 -46.220 -0.421 393 H VAL 48 HN VAL 48 5.425 -44.851 1.454 394 HA VAL 48 HA VAL 48 7.072 -43.150 0.337 395 HB VAL 48 HB VAL 48 6.891 -42.380 3.191 396 1HG1 VAL 48 HG12 VAL 48 7.115 -40.830 1.140 397 2HG1 VAL 48 HG13 VAL 48 5.553 -41.496 0.625 398 3HG1 VAL 48 HG11 VAL 48 5.649 -40.467 2.063 399 1HG2 VAL 48 HG23 VAL 48 5.081 -43.793 3.321 400 2HG2 VAL 48 HG21 VAL 48 4.571 -42.102 3.418 401 3HG2 VAL 48 HG22 VAL 48 4.282 -43.032 1.944 402 H LYS 49 HN LYS 49 8.029 -44.982 3.242 403 HA LYS 49 HA LYS 49 10.620 -43.916 3.522 404 1HB LYS 49 HB1 LYS 49 9.144 -45.733 4.916 405 2HB LYS 49 HB2 LYS 49 10.359 -46.784 4.226 406 1HG LYS 49 HG1 LYS 49 11.831 -44.580 5.222 407 2HG LYS 49 HG2 LYS 49 10.557 -44.805 6.393 408 1HD LYS 49 HD1 LYS 49 11.980 -46.288 7.328 409 2HD LYS 49 HD2 LYS 49 11.397 -47.395 6.111 410 1HE LYS 49 HE1 LYS 49 13.910 -45.709 5.934 411 2HE LYS 49 HE2 LYS 49 13.841 -47.435 6.248 412 1HZ LYS 49 HZ1 LYS 49 12.819 -46.122 3.793 413 2HZ LYS 49 HZ2 LYS 49 14.311 -46.836 3.828 414 3HZ LYS 49 HZ3 LYS 49 12.882 -47.814 4.018 415 H ALA 50 HN ALA 50 9.871 -46.942 1.648 416 HA ALA 50 HA ALA 50 12.396 -47.393 0.376 417 1HB ALA 50 HB3 ALA 50 10.483 -48.907 0.345 418 2HB ALA 50 HB1 ALA 50 9.596 -47.792 -0.676 419 3HB ALA 50 HB2 ALA 50 11.054 -48.576 -1.278 420 H PHE 51 HN PHE 51 9.652 -45.373 -0.721 421 HA PHE 51 HA PHE 51 10.690 -44.208 -3.021 422 1HB PHE 51 HB1 PHE 51 8.346 -44.084 -1.805 423 2HB PHE 51 HB2 PHE 51 8.994 -42.671 -1.021 424 HD1 PHE 51 HD1 PHE 51 6.952 -43.621 -3.666 425 HD2 PHE 51 HD2 PHE 51 10.054 -40.834 -2.790 426 HE1 PHE 51 HE1 PHE 51 6.473 -42.552 -5.656 427 HE2 PHE 51 HE2 PHE 51 9.542 -39.684 -4.908 428 HZ PHE 51 HZ PHE 51 7.754 -40.516 -6.364 429 H LYS 52 HN LYS 52 10.789 -42.763 0.278 430 HA LYS 52 HA LYS 52 12.391 -40.623 -0.462 431 1HB LYS 52 HB1 LYS 52 11.351 -41.731 2.067 432 2HB LYS 52 HB2 LYS 52 12.865 -40.886 2.290 433 1HG LYS 52 HG1 LYS 52 10.480 -39.655 0.862 434 2HG LYS 52 HG2 LYS 52 10.766 -39.484 2.588 435 1HD LYS 52 HD1 LYS 52 12.981 -38.480 2.112 436 2HD LYS 52 HD2 LYS 52 12.684 -38.605 0.393 437 1HE LYS 52 HE1 LYS 52 10.745 -37.085 0.647 438 2HE LYS 52 HE2 LYS 52 11.163 -36.884 2.354 439 1HZ LYS 52 HZ3 LYS 52 13.006 -36.423 0.081 440 2HZ LYS 52 HZ1 LYS 52 12.232 -35.136 0.848 441 3HZ LYS 52 HZ2 LYS 52 13.410 -36.118 1.697 442 H ASP 53 HN ASP 53 13.505 -43.770 0.953 443 HA ASP 53 HA ASP 53 16.253 -43.150 1.032 444 1HB ASP 53 HB1 ASP 53 14.806 -45.757 0.562 445 2HB ASP 53 HB2 ASP 53 16.548 -45.689 0.448 446 H CYS 54 HN CYS 54 14.600 -44.810 -1.711 447 HA CYS 54 HA CYS 54 16.712 -44.461 -3.518 448 1HB CYS 54 HB1 CYS 54 13.820 -45.082 -3.803 449 2HB CYS 54 HB2 CYS 54 14.781 -44.777 -5.225 450 H CYS 55 HN CYS 55 14.042 -42.079 -2.919 451 HA CYS 55 HA CYS 55 14.795 -40.161 -4.790 452 1HB CYS 55 HB1 CYS 55 12.850 -39.867 -3.356 453 2HB CYS 55 HB2 CYS 55 13.869 -39.748 -1.937 454 OH TYR 56 OH TYR 56 14.663 -36.312 2.653 455 H TYR 56 HN TYR 56 16.205 -40.415 -1.449 456 HA TYR 56 HA TYR 56 18.181 -38.455 -1.978 457 1HB TYR 56 HB1 TYR 56 18.198 -40.623 0.119 458 2HB TYR 56 HB2 TYR 56 19.375 -39.323 0.039 459 HD1 TYR 56 HD1 TYR 56 16.977 -40.140 2.093 460 HD2 TYR 56 HD2 TYR 56 17.604 -36.943 -0.646 461 HE1 TYR 56 HE1 TYR 56 15.408 -38.739 3.344 462 HE2 TYR 56 HE2 TYR 56 15.992 -35.583 0.580 463 HH TYR 56 HH TYR 56 14.393 -36.758 3.463 464 H ILE 57 HN ILE 57 18.473 -41.999 -2.484 465 HA ILE 57 HA ILE 57 21.017 -41.840 -3.698 466 HB ILE 57 HB ILE 57 18.733 -43.725 -4.080 467 1HG1 ILE 57 HG11 ILE 57 21.054 -45.120 -3.363 468 2HG1 ILE 57 HG12 ILE 57 21.195 -43.595 -2.520 469 1HG2 ILE 57 HG22 ILE 57 21.314 -43.986 -5.639 470 2HG2 ILE 57 HG23 ILE 57 20.068 -45.217 -5.480 471 3HG2 ILE 57 HG21 ILE 57 19.709 -43.738 -6.324 472 1HD1 ILE 57 HD11 ILE 57 18.811 -45.438 -2.356 473 2HD1 ILE 57 HD12 ILE 57 20.069 -45.266 -1.132 474 3HD1 ILE 57 HD13 ILE 57 18.992 -43.912 -1.504 475 H ALA 58 HN ALA 58 17.890 -41.544 -5.417 476 HA ALA 58 HA ALA 58 18.811 -40.929 -7.976 477 1HB ALA 58 HB1 ALA 58 16.472 -41.294 -7.459 478 2HB ALA 58 HB2 ALA 58 16.394 -39.763 -6.601 479 3HB ALA 58 HB3 ALA 58 16.690 -39.789 -8.340 480 H ASN 59 HN ASN 59 18.247 -38.511 -5.407 481 HA ASN 59 HA ASN 59 19.317 -36.281 -6.828 482 1HB ASN 59 HB1 ASN 59 18.942 -36.762 -3.859 483 2HB ASN 59 HB2 ASN 59 19.558 -35.252 -4.515 484 1HD2 ASN 59 HD21 ASN 59 15.625 -36.032 -4.918 485 2HD2 ASN 59 HD22 ASN 59 16.659 -37.389 -4.568 486 H GLN 60 HN GLN 60 20.976 -38.494 -4.525 487 HA GLN 60 HA GLN 60 23.540 -37.320 -4.748 488 1HB GLN 60 HB1 GLN 60 22.720 -38.897 -2.996 489 2HB GLN 60 HB2 GLN 60 22.790 -40.191 -4.167 490 1HG GLN 60 HG1 GLN 60 25.231 -39.984 -4.334 491 2HG GLN 60 HG2 GLN 60 25.215 -38.589 -3.262 492 1HE2 GLN 60 HE21 GLN 60 25.334 -40.647 -0.431 493 2HE2 GLN 60 HE22 GLN 60 25.597 -39.080 -1.119 494 H VAL 61 HN VAL 61 22.142 -40.053 -6.660 495 HA VAL 61 HA VAL 61 24.342 -40.355 -8.414 496 HB VAL 61 HB VAL 61 21.427 -41.040 -8.756 497 1HG1 VAL 61 HG11 VAL 61 23.699 -41.885 -10.601 498 2HG1 VAL 61 HG12 VAL 61 22.058 -42.521 -10.636 499 3HG1 VAL 61 HG13 VAL 61 22.354 -40.846 -11.057 500 1HG2 VAL 61 HG22 VAL 61 23.901 -42.730 -8.217 501 2HG2 VAL 61 HG23 VAL 61 22.645 -42.319 -7.052 502 3HG2 VAL 61 HG21 VAL 61 22.266 -43.357 -8.420 503 NH1 ARG 62 NH1 ARG 62 22.204 -36.583 -14.777 504 NH2 ARG 62 NH2 ARG 62 20.111 -36.003 -15.022 505 H ARG 62 HN ARG 62 21.480 -38.189 -8.814 506 HA ARG 62 HA ARG 62 22.325 -36.958 -11.186 507 1HB ARG 62 HB1 ARG 62 20.093 -36.750 -10.045 508 2HB ARG 62 HB2 ARG 62 20.828 -35.675 -8.884 509 1HG ARG 62 HG1 ARG 62 19.758 -34.215 -10.357 510 2HG ARG 62 HG2 ARG 62 21.413 -34.159 -10.909 511 1HD ARG 62 HD1 ARG 62 19.308 -35.906 -12.199 512 2HD ARG 62 HD2 ARG 62 19.663 -34.257 -12.716 513 HE ARG 62 HE ARG 62 22.125 -35.612 -12.704 514 1HH1 ARG 62 HH12 ARG 62 23.029 -36.669 -14.175 515 2HH1 ARG 62 HH11 ARG 62 22.214 -36.884 -15.716 516 1HH2 ARG 62 HH22 ARG 62 19.302 -35.592 -14.633 517 2HH2 ARG 62 HH21 ARG 62 20.149 -36.350 -15.945 518 H ALA 63 HN ALA 63 23.275 -36.074 -7.833 519 HA ALA 63 HA ALA 63 25.107 -34.039 -8.638 520 1HB ALA 63 HB1 ALA 63 24.199 -34.158 -6.373 521 2HB ALA 63 HB2 ALA 63 24.998 -35.704 -6.105 522 3HB ALA 63 HB3 ALA 63 25.958 -34.241 -6.319 523 H GLU 64 HN GLU 64 25.699 -37.537 -8.014 524 HA GLU 64 HA GLU 64 28.465 -37.456 -8.696 525 1HB GLU 64 HB1 GLU 64 26.500 -39.760 -8.837 526 2HB GLU 64 HB2 GLU 64 28.232 -39.930 -9.056 527 1HG GLU 64 HG1 GLU 64 28.651 -39.199 -6.739 528 2HG GLU 64 HG2 GLU 64 26.938 -38.881 -6.501 529 H GLN 65 HN GLN 65 25.632 -38.137 -10.849 530 HA GLN 65 HA GLN 65 27.484 -37.726 -13.139 531 1HB GLN 65 HB1 GLN 65 26.791 -40.096 -12.780 532 2HB GLN 65 HB2 GLN 65 25.115 -39.613 -12.952 533 1HG GLN 65 HG1 GLN 65 25.629 -38.899 -15.345 534 2HG GLN 65 HG2 GLN 65 27.264 -39.498 -15.122 535 1HE2 GLN 65 HE21 GLN 65 24.278 -42.211 -15.525 536 2HE2 GLN 65 HE22 GLN 65 23.845 -40.590 -15.071 Start of MODEL 24 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 24.120 -45.099 6.938 2 2H MET 1 HT1 MET 1 24.721 -46.541 6.293 3 3H MET 1 HT3 MET 1 25.794 -45.352 6.844 4 HA MET 1 HA MET 1 25.067 -43.871 5.124 5 1HB MET 1 HB1 MET 1 26.034 -46.602 4.245 6 2HB MET 1 HB2 MET 1 25.952 -45.239 3.159 7 1HG MET 1 HG1 MET 1 28.182 -45.263 3.795 8 2HG MET 1 HG2 MET 1 27.499 -44.006 4.792 9 1HE MET 1 HE1 MET 1 28.386 -47.885 4.797 10 2HE MET 1 HE2 MET 1 29.867 -46.906 4.734 11 3HE MET 1 HE3 MET 1 29.494 -47.864 6.157 12 H LEU 2 HN LEU 2 23.929 -43.479 3.201 13 HA LEU 2 HA LEU 2 21.203 -44.328 3.191 14 1HB LEU 2 HB1 LEU 2 22.810 -42.629 1.250 15 2HB LEU 2 HB2 LEU 2 21.071 -42.805 1.196 16 HG LEU 2 HG LEU 2 22.441 -41.756 3.688 17 1HD1 LEU 2 HD11 LEU 2 21.469 -40.135 1.314 18 2HD1 LEU 2 HD12 LEU 2 22.006 -39.475 2.853 19 3HD1 LEU 2 HD13 LEU 2 23.146 -40.320 1.815 20 1HD2 LEU 2 HD22 LEU 2 19.639 -41.368 2.576 21 2HD2 LEU 2 HD23 LEU 2 20.061 -42.421 3.919 22 3HD2 LEU 2 HD21 LEU 2 20.256 -40.683 4.073 23 H GLN 3 HN GLN 3 23.896 -44.963 0.973 24 HA GLN 3 HA GLN 3 22.625 -46.510 -0.971 25 1HB GLN 3 HB1 GLN 3 25.472 -46.636 0.065 26 2HB GLN 3 HB2 GLN 3 24.916 -47.438 -1.386 27 1HG GLN 3 HG1 GLN 3 25.980 -45.477 -2.165 28 2HG GLN 3 HG2 GLN 3 24.275 -45.117 -2.284 29 1HE2 GLN 3 HE21 GLN 3 25.634 -42.095 -0.821 30 2HE2 GLN 3 HE22 GLN 3 25.516 -42.815 -2.390 31 H LYS 4 HN LYS 4 24.004 -47.557 2.078 32 HA LYS 4 HA LYS 4 23.529 -50.325 2.008 33 1HB LYS 4 HB1 LYS 4 24.950 -49.219 3.655 34 2HB LYS 4 HB2 LYS 4 23.590 -48.315 4.284 35 1HG LYS 4 HG1 LYS 4 24.074 -49.999 5.869 36 2HG LYS 4 HG2 LYS 4 22.599 -50.496 5.095 37 1HD LYS 4 HD1 LYS 4 24.721 -51.734 3.623 38 2HD LYS 4 HD2 LYS 4 25.140 -51.877 5.311 39 1HE LYS 4 HE1 LYS 4 23.920 -53.814 4.927 40 2HE LYS 4 HE2 LYS 4 22.715 -52.751 5.647 41 1HZ LYS 4 HZ1 LYS 4 22.019 -52.106 3.339 42 2HZ LYS 4 HZ2 LYS 4 23.200 -53.205 2.709 43 3HZ LYS 4 HZ3 LYS 4 21.872 -53.783 3.605 44 H LYS 5 HN LYS 5 21.351 -47.689 2.929 45 HA LYS 5 HA LYS 5 19.131 -49.293 3.698 46 1HB LYS 5 HB1 LYS 5 19.576 -46.394 3.085 47 2HB LYS 5 HB2 LYS 5 17.954 -46.990 3.300 48 1HG LYS 5 HG1 LYS 5 20.112 -47.397 5.380 49 2HG LYS 5 HG2 LYS 5 19.092 -45.977 5.342 50 1HD LYS 5 HD1 LYS 5 17.875 -48.749 5.477 51 2HD LYS 5 HD2 LYS 5 18.445 -47.937 6.908 52 1HE LYS 5 HE1 LYS 5 16.156 -47.529 6.872 53 2HE LYS 5 HE2 LYS 5 16.873 -46.030 6.309 54 1HZ LYS 5 HZ2 LYS 5 15.790 -48.162 4.438 55 2HZ LYS 5 HZ3 LYS 5 14.928 -46.848 5.021 56 3HZ LYS 5 HZ1 LYS 5 16.229 -46.520 4.021 57 H ILE 6 HN ILE 6 19.719 -47.615 0.526 58 HA ILE 6 HA ILE 6 17.414 -48.708 -0.750 59 HB ILE 6 HB ILE 6 20.048 -48.249 -2.162 60 1HG1 ILE 6 HG11 ILE 6 18.470 -46.302 -3.136 61 2HG1 ILE 6 HG12 ILE 6 17.758 -46.453 -1.558 62 1HG2 ILE 6 HG23 ILE 6 17.276 -48.686 -3.430 63 2HG2 ILE 6 HG21 ILE 6 18.718 -48.195 -4.283 64 3HG2 ILE 6 HG22 ILE 6 18.648 -49.773 -3.539 65 1HD1 ILE 6 HD13 ILE 6 20.700 -45.948 -2.113 66 2HD1 ILE 6 HD11 ILE 6 19.537 -44.725 -1.625 67 3HD1 ILE 6 HD12 ILE 6 19.976 -46.013 -0.513 68 H GLU 7 HN GLU 7 20.707 -50.049 -0.517 69 HA GLU 7 HA GLU 7 20.240 -52.585 -1.612 70 1HB GLU 7 HB1 GLU 7 22.431 -51.521 -1.029 71 2HB GLU 7 HB2 GLU 7 22.091 -51.832 0.658 72 1HG GLU 7 HG1 GLU 7 21.951 -54.370 -0.057 73 2HG GLU 7 HG2 GLU 7 22.742 -53.836 -1.530 74 H GLU 8 HN GLU 8 19.665 -51.620 1.860 75 HA GLU 8 HA GLU 8 18.693 -54.191 2.576 76 1HB GLU 8 HB1 GLU 8 19.126 -51.691 3.890 77 2HB GLU 8 HB2 GLU 8 17.466 -52.107 4.210 78 1HG GLU 8 HG1 GLU 8 19.899 -53.834 4.857 79 2HG GLU 8 HG2 GLU 8 18.944 -52.917 6.001 80 H GLU 9 HN GLU 9 16.716 -51.332 1.535 81 HA GLU 9 HA GLU 9 14.211 -52.836 1.720 82 1HB GLU 9 HB1 GLU 9 14.968 -50.096 0.810 83 2HB GLU 9 HB2 GLU 9 13.422 -50.766 0.334 84 1HG GLU 9 HG1 GLU 9 13.193 -49.444 2.417 85 2HG GLU 9 HG2 GLU 9 12.797 -51.123 2.705 86 H ALA 10 HN ALA 10 15.910 -51.670 -1.196 87 HA ALA 10 HA ALA 10 14.705 -53.710 -2.843 88 1HB ALA 10 HB3 ALA 10 17.113 -51.944 -3.288 89 2HB ALA 10 HB1 ALA 10 16.366 -52.964 -4.519 90 3HB ALA 10 HB2 ALA 10 15.452 -51.631 -3.806 91 H ALA 11 HN ALA 11 17.357 -54.493 -0.565 92 HA ALA 11 HA ALA 11 17.652 -57.002 -1.874 93 1HB ALA 11 HB2 ALA 11 19.081 -56.380 0.026 94 2HB ALA 11 HB3 ALA 11 17.706 -56.428 1.113 95 3HB ALA 11 HB1 ALA 11 18.271 -57.915 0.343 96 H LYS 12 HN LYS 12 15.170 -55.828 0.342 97 HA LYS 12 HA LYS 12 13.956 -58.415 0.747 98 1HB LYS 12 HB1 LYS 12 13.127 -55.646 1.627 99 2HB LYS 12 HB2 LYS 12 12.311 -57.121 2.096 100 1HG LYS 12 HG1 LYS 12 14.463 -57.924 3.140 101 2HG LYS 12 HG2 LYS 12 15.167 -56.362 2.787 102 1HD LYS 12 HD1 LYS 12 12.778 -56.838 4.598 103 2HD LYS 12 HD2 LYS 12 14.417 -56.583 5.137 104 1HE LYS 12 HE1 LYS 12 12.751 -54.501 3.687 105 2HE LYS 12 HE2 LYS 12 13.000 -54.588 5.424 106 1HZ LYS 12 HZ1 LYS 12 15.451 -54.359 5.060 107 2HZ LYS 12 HZ2 LYS 12 15.186 -54.311 3.402 108 3HZ LYS 12 HZ3 LYS 12 14.618 -53.012 4.387 109 OH TYR 13 OH TYR 13 14.799 -55.117 -7.875 110 H TYR 13 HN TYR 13 13.918 -58.332 -1.746 111 HA TYR 13 HA TYR 13 11.776 -57.255 -3.205 112 1HB TYR 13 HB1 TYR 13 13.772 -59.424 -3.574 113 2HB TYR 13 HB2 TYR 13 12.325 -59.584 -4.537 114 HD1 TYR 13 HD1 TYR 13 12.925 -59.014 -6.698 115 HD2 TYR 13 HD2 TYR 13 14.262 -56.383 -3.607 116 HE1 TYR 13 HE1 TYR 13 13.754 -57.416 -8.376 117 HE2 TYR 13 HE2 TYR 13 15.082 -54.856 -5.296 118 HH TYR 13 HH TYR 13 15.135 -54.287 -7.459 119 H LYS 14 HN LYS 14 11.520 -59.826 -0.914 120 HA LYS 14 HA LYS 14 8.930 -60.775 -1.572 121 1HB LYS 14 HB1 LYS 14 10.602 -61.564 0.258 122 2HB LYS 14 HB2 LYS 14 9.946 -60.278 1.246 123 1HG LYS 14 HG1 LYS 14 7.613 -61.443 0.645 124 2HG LYS 14 HG2 LYS 14 8.627 -62.811 0.244 125 1HD LYS 14 HD1 LYS 14 8.073 -63.241 2.480 126 2HD LYS 14 HD2 LYS 14 9.652 -62.483 2.633 127 1HE LYS 14 HE1 LYS 14 8.374 -60.258 2.895 128 2HE LYS 14 HE2 LYS 14 6.927 -61.232 3.051 129 1HZ LYS 14 HZ1 LYS 14 9.332 -61.587 4.737 130 2HZ LYS 14 HZ2 LYS 14 8.030 -60.607 5.199 131 3HZ LYS 14 HZ3 LYS 14 7.817 -62.297 4.974 132 OH TYR 15 OH TYR 15 7.650 -59.095 5.969 133 H TYR 15 HN TYR 15 9.959 -57.768 0.085 134 HA TYR 15 HA TYR 15 7.177 -56.889 0.394 135 1HB TYR 15 HB1 TYR 15 9.797 -55.694 1.337 136 2HB TYR 15 HB2 TYR 15 8.254 -54.880 1.503 137 HD1 TYR 15 HD1 TYR 15 10.478 -57.073 3.145 138 HD2 TYR 15 HD2 TYR 15 6.327 -56.397 2.615 139 HE1 TYR 15 HE1 TYR 15 9.998 -58.445 5.133 140 HE2 TYR 15 HE2 TYR 15 5.850 -57.756 4.604 141 HH TYR 15 HH TYR 15 6.721 -59.030 6.214 142 H ALA 16 HN ALA 16 7.046 -57.176 -1.781 143 HA ALA 16 HA ALA 16 8.435 -56.001 -3.865 144 1HB ALA 16 HB2 ALA 16 5.549 -56.940 -3.773 145 2HB ALA 16 HB3 ALA 16 6.478 -56.655 -5.243 146 3HB ALA 16 HB1 ALA 16 6.970 -57.920 -4.125 147 H MET 17 HN MET 17 5.484 -54.741 -2.373 148 HA MET 17 HA MET 17 5.218 -52.432 -4.035 149 1HB MET 17 HB1 MET 17 4.091 -53.058 -1.287 150 2HB MET 17 HB2 MET 17 3.656 -51.648 -2.233 151 1HG MET 17 HG1 MET 17 2.774 -53.104 -4.031 152 2HG MET 17 HG2 MET 17 3.214 -54.527 -3.108 153 1HE MET 17 HE2 MET 17 1.082 -51.177 -2.910 154 2HE MET 17 HE3 MET 17 0.358 -52.314 -4.069 155 3HE MET 17 HE1 MET 17 -0.473 -51.914 -2.575 156 H LEU 18 HN LEU 18 7.218 -53.023 -1.215 157 HA LEU 18 HA LEU 18 7.516 -50.170 -0.631 158 1HB LEU 18 HB1 LEU 18 8.708 -52.557 0.806 159 2HB LEU 18 HB2 LEU 18 8.736 -50.892 1.355 160 HG LEU 18 HG LEU 18 6.245 -52.597 1.015 161 1HD1 LEU 18 HD12 LEU 18 7.636 -51.630 3.520 162 2HD1 LEU 18 HD13 LEU 18 6.104 -52.496 3.473 163 3HD1 LEU 18 HD11 LEU 18 7.581 -53.288 2.943 164 1HD2 LEU 18 HD23 LEU 18 6.516 -49.780 2.090 165 2HD2 LEU 18 HD21 LEU 18 5.718 -50.230 0.591 166 3HD2 LEU 18 HD22 LEU 18 5.037 -50.745 2.132 167 H LYS 19 HN LYS 19 9.829 -52.862 -1.507 168 HA LYS 19 HA LYS 19 11.716 -51.000 -2.448 169 1HB LYS 19 HB1 LYS 19 12.688 -52.794 -3.742 170 2HB LYS 19 HB2 LYS 19 12.167 -53.429 -2.203 171 1HG LYS 19 HG1 LYS 19 11.428 -55.138 -3.500 172 2HG LYS 19 HG2 LYS 19 10.007 -54.131 -3.644 173 1HD LYS 19 HD1 LYS 19 10.860 -53.244 -5.812 174 2HD LYS 19 HD2 LYS 19 12.283 -54.239 -5.650 175 1HE LYS 19 HE1 LYS 19 10.774 -56.260 -5.664 176 2HE LYS 19 HE2 LYS 19 9.421 -55.167 -5.981 177 1HZ LYS 19 HZ3 LYS 19 10.597 -54.333 -7.913 178 2HZ LYS 19 HZ1 LYS 19 11.893 -55.373 -7.606 179 3HZ LYS 19 HZ2 LYS 19 10.389 -56.011 -8.055 180 H LYS 20 HN LYS 20 8.740 -52.116 -4.285 181 HA LYS 20 HA LYS 20 9.447 -50.588 -6.569 182 1HB LYS 20 HB1 LYS 20 7.428 -52.336 -6.037 183 2HB LYS 20 HB2 LYS 20 6.542 -50.834 -5.965 184 1HG LYS 20 HG1 LYS 20 8.096 -50.562 -8.301 185 2HG LYS 20 HG2 LYS 20 7.677 -52.258 -8.280 186 1HD LYS 20 HD1 LYS 20 5.793 -51.603 -9.326 187 2HD LYS 20 HD2 LYS 20 5.229 -51.133 -7.742 188 1HE LYS 20 HE1 LYS 20 6.612 -49.302 -9.730 189 2HE LYS 20 HE2 LYS 20 4.880 -49.376 -9.449 190 1HZ LYS 20 HZ3 LYS 20 6.925 -48.644 -7.378 191 2HZ LYS 20 HZ1 LYS 20 5.948 -47.536 -8.154 192 3HZ LYS 20 HZ2 LYS 20 5.254 -48.706 -7.147 193 H CYS 21 HN CYS 21 7.798 -49.521 -3.522 194 HA CYS 21 HA CYS 21 7.468 -46.842 -4.221 195 1HB CYS 21 HB1 CYS 21 6.812 -48.232 -2.149 196 2HB CYS 21 HB2 CYS 21 8.386 -47.800 -1.514 197 H CYS 22 HN CYS 22 10.470 -48.317 -2.798 198 HA CYS 22 HA CYS 22 12.418 -46.339 -3.414 199 1HB CYS 22 HB1 CYS 22 12.656 -48.782 -2.539 200 2HB CYS 22 HB2 CYS 22 13.120 -49.020 -4.182 201 OH TYR 23 OH TYR 23 15.481 -52.733 -6.964 202 H TYR 23 HN TYR 23 11.165 -48.561 -5.771 203 HA TYR 23 HA TYR 23 12.554 -47.120 -7.787 204 1HB TYR 23 HB1 TYR 23 10.525 -49.273 -8.058 205 2HB TYR 23 HB2 TYR 23 11.628 -48.712 -9.297 206 HD1 TYR 23 HD1 TYR 23 11.695 -51.340 -8.878 207 HD2 TYR 23 HD2 TYR 23 13.690 -48.686 -6.098 208 HE1 TYR 23 HE1 TYR 23 13.467 -53.016 -8.497 209 HE2 TYR 23 HE2 TYR 23 15.443 -50.308 -5.913 210 HH TYR 23 HH TYR 23 16.193 -52.351 -6.443 211 H ASP 24 HN ASP 24 9.154 -46.699 -6.771 212 HA ASP 24 HA ASP 24 8.507 -44.564 -8.498 213 1HB ASP 24 HB1 ASP 24 7.893 -44.619 -5.519 214 2HB ASP 24 HB2 ASP 24 7.186 -43.570 -6.723 215 H GLY 25 HN GLY 25 10.405 -44.302 -5.469 216 1HA GLY 25 HA1 GLY 25 11.188 -41.600 -5.739 217 2HA GLY 25 HA2 GLY 25 12.081 -42.808 -4.852 218 H ALA 26 HN ALA 26 12.914 -44.465 -6.914 219 HA ALA 26 HA ALA 26 15.070 -43.121 -8.156 220 1HB ALA 26 HB3 ALA 26 15.102 -45.535 -7.741 221 2HB ALA 26 HB1 ALA 26 13.826 -45.773 -8.934 222 3HB ALA 26 HB2 ALA 26 15.408 -45.197 -9.440 223 OH TYR 27 OH TYR 27 12.475 -48.060 -14.856 224 H TYR 27 HN TYR 27 11.928 -44.079 -9.711 225 HA TYR 27 HA TYR 27 12.587 -42.715 -12.139 226 1HB TYR 27 HB1 TYR 27 10.042 -43.901 -11.070 227 2HB TYR 27 HB2 TYR 27 10.023 -42.942 -12.535 228 HD1 TYR 27 HD1 TYR 27 11.247 -43.738 -14.564 229 HD2 TYR 27 HD2 TYR 27 11.145 -46.104 -11.040 230 HE1 TYR 27 HE1 TYR 27 12.043 -45.673 -15.844 231 HE2 TYR 27 HE2 TYR 27 11.943 -48.053 -12.344 232 HH TYR 27 HH TYR 27 12.606 -47.823 -15.775 233 NH1 ARG 28 NH1 ARG 28 14.715 -32.750 -8.954 234 NH2 ARG 28 NH2 ARG 28 15.802 -34.130 -10.204 235 H ARG 28 HN ARG 28 13.382 -40.810 -10.883 236 HA ARG 28 HA ARG 28 11.360 -38.670 -10.728 237 1HB ARG 28 HB1 ARG 28 13.227 -38.827 -9.087 238 2HB ARG 28 HB2 ARG 28 14.371 -38.592 -10.396 239 1HG ARG 28 HG1 ARG 28 13.413 -36.323 -10.820 240 2HG ARG 28 HG2 ARG 28 12.281 -36.573 -9.498 241 1HD ARG 28 HD1 ARG 28 14.150 -36.759 -7.919 242 2HD ARG 28 HD2 ARG 28 15.304 -36.560 -9.228 243 HE ARG 28 HE ARG 28 13.307 -34.445 -8.417 244 1HH1 ARG 28 HH12 ARG 28 14.001 -32.570 -8.288 245 2HH1 ARG 28 HH11 ARG 28 15.265 -32.030 -9.397 246 1HH2 ARG 28 HH22 ARG 28 15.976 -35.030 -10.583 247 2HH2 ARG 28 HH21 ARG 28 16.277 -33.317 -10.526 248 H ASN 29 HN ASN 29 10.896 -37.342 -12.444 249 HA ASN 29 HA ASN 29 12.004 -38.223 -15.007 250 1HB ASN 29 HB1 ASN 29 9.569 -36.470 -14.503 251 2HB ASN 29 HB2 ASN 29 10.007 -37.268 -16.004 252 1HD2 ASN 29 HD21 ASN 29 8.308 -39.458 -13.053 253 2HD2 ASN 29 HD22 ASN 29 8.929 -37.874 -12.660 254 H ASP 30 HN ASP 30 10.826 -34.875 -14.525 255 HA ASP 30 HA ASP 30 13.076 -33.940 -16.111 256 1HB ASP 30 HB1 ASP 30 10.644 -32.429 -15.073 257 2HB ASP 30 HB2 ASP 30 11.833 -31.809 -16.215 258 H ASP 31 HN ASP 31 11.695 -32.326 -13.270 259 HA ASP 31 HA ASP 31 14.021 -32.596 -11.649 260 1HB ASP 31 HB1 ASP 31 14.700 -30.793 -13.381 261 2HB ASP 31 HB2 ASP 31 13.577 -29.732 -12.555 262 H GLU 32 HN GLU 32 11.216 -33.119 -11.328 263 HA GLU 32 HA GLU 32 10.062 -31.249 -9.495 264 1HB GLU 32 HB1 GLU 32 8.362 -32.924 -9.125 265 2HB GLU 32 HB2 GLU 32 8.693 -32.754 -10.826 266 1HG GLU 32 HG1 GLU 32 9.918 -35.040 -9.230 267 2HG GLU 32 HG2 GLU 32 8.300 -35.143 -9.848 268 H THR 33 HN THR 33 9.544 -31.694 -7.148 269 HA THR 33 HA THR 33 11.857 -32.883 -5.796 270 HB THR 33 HB THR 33 11.003 -32.081 -3.694 271 HG1 THR 33 HG1 THR 33 8.765 -31.175 -5.226 272 1HG2 THR 33 HG22 THR 33 10.801 -29.906 -5.785 273 2HG2 THR 33 HG23 THR 33 11.016 -29.674 -4.054 274 3HG2 THR 33 HG21 THR 33 12.287 -30.454 -5.001 275 H CYS 34 HN CYS 34 11.828 -34.716 -4.609 276 HA CYS 34 HA CYS 34 10.008 -36.779 -5.248 277 1HB CYS 34 HB1 CYS 34 12.008 -36.573 -2.989 278 2HB CYS 34 HB2 CYS 34 11.226 -38.055 -3.484 279 H GLU 35 HN GLU 35 10.270 -34.715 -2.479 280 HA GLU 35 HA GLU 35 8.262 -36.094 -0.931 281 1HB GLU 35 HB1 GLU 35 8.533 -34.211 0.727 282 2HB GLU 35 HB2 GLU 35 9.846 -35.326 0.492 283 1HG GLU 35 HG1 GLU 35 9.823 -32.581 -0.833 284 2HG GLU 35 HG2 GLU 35 10.463 -32.843 0.781 285 H GLU 36 HN GLU 36 7.839 -33.512 -3.303 286 HA GLU 36 HA GLU 36 5.190 -32.933 -2.348 287 1HB GLU 36 HB1 GLU 36 4.789 -31.768 -4.344 288 2HB GLU 36 HB2 GLU 36 6.468 -31.487 -3.936 289 1HG GLU 36 HG1 GLU 36 7.058 -33.305 -5.676 290 2HG GLU 36 HG2 GLU 36 5.386 -33.182 -6.208 291 NH1 ARG 37 NH1 ARG 37 9.900 -39.409 -7.988 292 NH2 ARG 37 NH2 ARG 37 8.504 -39.453 -9.656 293 H ARG 37 HN ARG 37 6.446 -35.206 -4.719 294 HA ARG 37 HA ARG 37 4.046 -36.612 -5.300 295 1HB ARG 37 HB1 ARG 37 6.904 -37.630 -5.365 296 2HB ARG 37 HB2 ARG 37 5.525 -38.431 -6.080 297 1HG ARG 37 HG1 ARG 37 5.264 -36.285 -7.519 298 2HG ARG 37 HG2 ARG 37 6.896 -35.901 -6.987 299 1HD ARG 37 HD1 ARG 37 6.084 -38.456 -8.395 300 2HD ARG 37 HD2 ARG 37 6.864 -37.079 -9.168 301 HE ARG 37 HE ARG 37 8.481 -37.847 -6.992 302 1HH1 ARG 37 HH12 ARG 37 10.213 -39.063 -7.119 303 2HH1 ARG 37 HH11 ARG 37 10.404 -40.099 -8.496 304 1HH2 ARG 37 HH22 ARG 37 7.655 -39.166 -10.065 305 2HH2 ARG 37 HH21 ARG 37 9.148 -40.088 -10.129 306 H ALA 38 HN ALA 38 6.707 -37.430 -2.999 307 HA ALA 38 HA ALA 38 4.948 -39.317 -1.685 308 1HB ALA 38 HB3 ALA 38 7.867 -38.805 -1.392 309 2HB ALA 38 HB1 ALA 38 6.942 -39.992 -0.455 310 3HB ALA 38 HB2 ALA 38 6.979 -40.112 -2.216 311 H ALA 39 HN ALA 39 5.190 -35.892 -0.978 312 HA ALA 39 HA ALA 39 3.688 -36.325 1.349 313 1HB ALA 39 HB1 ALA 39 4.098 -34.084 0.455 314 2HB ALA 39 HB2 ALA 39 3.089 -34.429 -0.944 315 3HB ALA 39 HB3 ALA 39 2.368 -34.352 0.666 316 NH1 ARG 40 NH1 ARG 40 -3.560 -41.404 -4.306 317 NH2 ARG 40 NH2 ARG 40 -2.030 -41.113 -2.779 318 H ARG 40 HN ARG 40 2.512 -36.498 -2.057 319 HA ARG 40 HA ARG 40 -0.004 -37.649 -1.354 320 1HB ARG 40 HB1 ARG 40 0.254 -36.461 -3.416 321 2HB ARG 40 HB2 ARG 40 1.507 -37.549 -3.961 322 1HG ARG 40 HG1 ARG 40 -0.553 -37.965 -5.185 323 2HG ARG 40 HG2 ARG 40 -0.150 -39.367 -4.236 324 1HD ARG 40 HD1 ARG 40 -1.856 -38.427 -2.484 325 2HD ARG 40 HD2 ARG 40 -2.350 -37.348 -3.771 326 HE ARG 40 HE ARG 40 -3.186 -39.228 -4.976 327 1HH1 ARG 40 HH12 ARG 40 -4.121 -41.052 -5.040 328 2HH1 ARG 40 HH11 ARG 40 -3.612 -42.345 -4.009 329 1HH2 ARG 40 HH22 ARG 40 -1.339 -40.544 -2.318 330 2HH2 ARG 40 HH21 ARG 40 -2.164 -42.054 -2.519 331 H ILE 41 HN ILE 41 2.820 -39.524 -2.697 332 HA ILE 41 HA ILE 41 1.812 -42.026 -1.986 333 HB ILE 41 HB ILE 41 4.766 -41.407 -2.358 334 1HG1 ILE 41 HG11 ILE 41 3.878 -43.005 -4.455 335 2HG1 ILE 41 HG12 ILE 41 2.505 -41.897 -4.219 336 1HG2 ILE 41 HG21 ILE 41 3.362 -43.980 -2.172 337 2HG2 ILE 41 HG22 ILE 41 5.043 -43.598 -2.761 338 3HG2 ILE 41 HG23 ILE 41 4.565 -43.345 -1.049 339 1HD1 ILE 41 HD12 ILE 41 5.317 -40.997 -4.278 340 2HD1 ILE 41 HD13 ILE 41 4.360 -41.128 -5.794 341 3HD1 ILE 41 HD11 ILE 41 3.888 -40.017 -4.497 342 H LYS 42 HN LYS 42 1.024 -41.965 -0.315 343 HA LYS 42 HA LYS 42 2.499 -42.059 2.283 344 1HB LYS 42 HB1 LYS 42 0.680 -40.149 1.771 345 2HB LYS 42 HB2 LYS 42 -0.399 -41.379 2.387 346 1HG LYS 42 HG1 LYS 42 0.085 -40.593 4.427 347 2HG LYS 42 HG2 LYS 42 1.609 -41.422 4.291 348 1HD LYS 42 HD1 LYS 42 1.207 -38.538 3.463 349 2HD LYS 42 HD2 LYS 42 1.672 -39.011 5.070 350 1HE LYS 42 HE1 LYS 42 3.654 -38.289 4.073 351 2HE LYS 42 HE2 LYS 42 3.767 -40.041 4.046 352 1HZ LYS 42 HZ3 LYS 42 2.607 -38.585 1.727 353 2HZ LYS 42 HZ1 LYS 42 4.311 -38.741 1.836 354 3HZ LYS 42 HZ2 LYS 42 3.375 -40.107 1.737 355 H ILE 43 HN ILE 43 2.243 -44.335 0.705 356 HA ILE 43 HA ILE 43 0.124 -46.042 1.627 357 HB ILE 43 HB ILE 43 2.675 -46.714 0.136 358 1HG1 ILE 43 HG11 ILE 43 -0.139 -46.533 -0.973 359 2HG1 ILE 43 HG12 ILE 43 0.939 -45.160 -0.977 360 1HG2 ILE 43 HG21 ILE 43 0.214 -48.451 0.568 361 2HG2 ILE 43 HG22 ILE 43 1.570 -48.859 -0.476 362 3HG2 ILE 43 HG23 ILE 43 1.806 -48.749 1.251 363 1HD1 ILE 43 HD13 ILE 43 2.555 -46.426 -2.388 364 2HD1 ILE 43 HD11 ILE 43 1.440 -47.785 -2.434 365 3HD1 ILE 43 HD12 ILE 43 0.983 -46.254 -3.158 366 H GLY 44 HN GLY 44 3.502 -45.629 2.673 367 1HA GLY 44 HA1 GLY 44 2.791 -46.495 5.304 368 2HA GLY 44 HA2 GLY 44 3.770 -47.700 4.503 369 HA PRO 45 HA PRO 45 6.542 -44.289 6.677 370 1HB PRO 45 HB1 PRO 45 6.981 -46.745 8.413 371 2HB PRO 45 HB2 PRO 45 7.142 -45.028 8.825 372 1HG PRO 45 HG1 PRO 45 4.921 -46.256 9.528 373 2HG PRO 45 HG2 PRO 45 4.774 -44.677 8.727 374 1HD PRO 45 HD1 PRO 45 4.480 -47.448 7.518 375 2HD PRO 45 HD2 PRO 45 3.428 -46.025 7.347 376 H LYS 46 HN LYS 46 7.220 -47.767 6.349 377 HA LYS 46 HA LYS 46 9.899 -47.611 5.493 378 1HB LYS 46 HB1 LYS 46 7.779 -49.714 5.012 379 2HB LYS 46 HB2 LYS 46 9.443 -49.896 4.496 380 1HG LYS 46 HG1 LYS 46 10.191 -49.690 6.863 381 2HG LYS 46 HG2 LYS 46 8.509 -49.597 7.371 382 1HD LYS 46 HD1 LYS 46 8.074 -51.821 6.394 383 2HD LYS 46 HD2 LYS 46 9.733 -51.909 5.819 384 1HE LYS 46 HE1 LYS 46 10.543 -51.837 8.155 385 2HE LYS 46 HE2 LYS 46 8.873 -51.774 8.723 386 1HZ LYS 46 HZ2 LYS 46 10.040 -53.913 7.025 387 2HZ LYS 46 HZ3 LYS 46 9.707 -54.061 8.678 388 3HZ LYS 46 HZ1 LYS 46 8.444 -53.854 7.570 389 H CYS 47 HN CYS 47 6.936 -47.285 3.648 390 HA CYS 47 HA CYS 47 8.032 -47.419 1.010 391 1HB CYS 47 HB1 CYS 47 5.592 -47.665 1.718 392 2HB CYS 47 HB2 CYS 47 5.558 -45.947 1.943 393 H VAL 48 HN VAL 48 6.834 -44.399 2.743 394 HA VAL 48 HA VAL 48 8.151 -42.666 1.277 395 HB VAL 48 HB VAL 48 8.443 -41.716 4.056 396 1HG1 VAL 48 HG13 VAL 48 8.080 -40.309 1.927 397 2HG1 VAL 48 HG11 VAL 48 6.519 -41.138 1.784 398 3HG1 VAL 48 HG12 VAL 48 6.807 -40.007 3.116 399 1HG2 VAL 48 HG22 VAL 48 6.848 -43.250 4.683 400 2HG2 VAL 48 HG23 VAL 48 6.209 -41.605 4.762 401 3HG2 VAL 48 HG21 VAL 48 5.713 -42.688 3.458 402 H LYS 49 HN LYS 49 9.673 -44.344 4.005 403 HA LYS 49 HA LYS 49 12.206 -43.119 3.781 404 1HB LYS 49 HB1 LYS 49 11.270 -44.466 5.725 405 2HB LYS 49 HB2 LYS 49 11.732 -45.905 4.846 406 1HG LYS 49 HG1 LYS 49 13.481 -45.450 6.402 407 2HG LYS 49 HG2 LYS 49 14.107 -45.044 4.821 408 1HD LYS 49 HD1 LYS 49 13.088 -42.588 5.755 409 2HD LYS 49 HD2 LYS 49 13.719 -43.352 7.192 410 1HE LYS 49 HE1 LYS 49 15.523 -42.104 6.308 411 2HE LYS 49 HE2 LYS 49 15.877 -43.780 5.907 412 1HZ LYS 49 HZ1 LYS 49 14.553 -43.237 3.756 413 2HZ LYS 49 HZ2 LYS 49 14.912 -41.627 4.131 414 3HZ LYS 49 HZ3 LYS 49 16.152 -42.781 3.827 415 H ALA 50 HN ALA 50 11.323 -46.349 2.336 416 HA ALA 50 HA ALA 50 13.576 -46.873 0.688 417 1HB ALA 50 HB1 ALA 50 11.655 -48.368 1.051 418 2HB ALA 50 HB2 ALA 50 10.644 -47.318 0.086 419 3HB ALA 50 HB3 ALA 50 11.988 -48.182 -0.654 420 H PHE 51 HN PHE 51 10.666 -44.908 -0.081 421 HA PHE 51 HA PHE 51 11.283 -43.946 -2.618 422 1HB PHE 51 HB1 PHE 51 9.164 -43.730 -1.089 423 2HB PHE 51 HB2 PHE 51 9.902 -42.276 -0.480 424 HD1 PHE 51 HD1 PHE 51 10.645 -40.513 -2.482 425 HD2 PHE 51 HD2 PHE 51 7.517 -43.386 -2.763 426 HE1 PHE 51 HE1 PHE 51 9.767 -39.439 -4.509 427 HE2 PHE 51 HE2 PHE 51 6.698 -42.405 -4.680 428 HZ PHE 51 HZ PHE 51 7.814 -40.373 -5.669 429 H LYS 52 HN LYS 52 11.942 -42.206 0.481 430 HA LYS 52 HA LYS 52 13.370 -40.135 -0.755 431 1HB LYS 52 HB1 LYS 52 12.240 -39.980 1.432 432 2HB LYS 52 HB2 LYS 52 13.442 -41.023 2.139 433 1HG LYS 52 HG1 LYS 52 13.903 -38.740 2.783 434 2HG LYS 52 HG2 LYS 52 15.180 -39.277 1.713 435 1HD LYS 52 HD1 LYS 52 14.151 -38.019 -0.162 436 2HD LYS 52 HD2 LYS 52 12.854 -37.491 0.900 437 1HE LYS 52 HE1 LYS 52 14.394 -36.239 2.271 438 2HE LYS 52 HE2 LYS 52 15.782 -36.923 1.431 439 1HZ LYS 52 HZ3 LYS 52 14.881 -35.924 -0.637 440 2HZ LYS 52 HZ1 LYS 52 13.703 -35.052 0.240 441 3HZ LYS 52 HZ2 LYS 52 15.357 -34.785 0.509 442 H ASP 53 HN ASP 53 14.634 -43.211 0.611 443 HA ASP 53 HA ASP 53 17.401 -42.574 0.288 444 1HB ASP 53 HB1 ASP 53 16.016 -45.276 0.289 445 2HB ASP 53 HB2 ASP 53 17.750 -45.050 0.347 446 H CYS 54 HN CYS 54 15.292 -44.459 -1.958 447 HA CYS 54 HA CYS 54 17.069 -44.349 -4.139 448 1HB CYS 54 HB1 CYS 54 14.156 -44.835 -3.854 449 2HB CYS 54 HB2 CYS 54 14.819 -44.603 -5.445 450 H CYS 55 HN CYS 55 14.656 -41.827 -3.210 451 HA CYS 55 HA CYS 55 15.193 -40.020 -5.260 452 1HB CYS 55 HB1 CYS 55 13.536 -39.701 -3.443 453 2HB CYS 55 HB2 CYS 55 14.851 -39.366 -2.336 454 OH TYR 56 OH TYR 56 18.824 -36.183 2.422 455 H TYR 56 HN TYR 56 17.168 -40.372 -2.232 456 HA TYR 56 HA TYR 56 19.264 -38.704 -3.062 457 1HB TYR 56 HB1 TYR 56 19.226 -41.086 -1.233 458 2HB TYR 56 HB2 TYR 56 20.746 -40.307 -1.625 459 HD1 TYR 56 HD1 TYR 56 17.855 -40.132 0.498 460 HD2 TYR 56 HD2 TYR 56 20.875 -37.714 -1.255 461 HE1 TYR 56 HE1 TYR 56 17.547 -38.462 2.263 462 HE2 TYR 56 HE2 TYR 56 20.506 -36.011 0.488 463 HH TYR 56 HH TYR 56 18.158 -36.475 3.046 464 H ILE 57 HN ILE 57 18.999 -42.233 -3.904 465 HA ILE 57 HA ILE 57 21.129 -42.172 -5.764 466 HB ILE 57 HB ILE 57 18.531 -43.684 -6.035 467 1HG1 ILE 57 HG11 ILE 57 19.536 -44.470 -4.119 468 2HG1 ILE 57 HG12 ILE 57 19.897 -45.677 -5.329 469 1HG2 ILE 57 HG23 ILE 57 21.048 -44.201 -7.641 470 2HG2 ILE 57 HG21 ILE 57 19.659 -45.278 -7.561 471 3HG2 ILE 57 HG22 ILE 57 19.488 -43.688 -8.270 472 1HD1 ILE 57 HD13 ILE 57 22.195 -44.650 -5.562 473 2HD1 ILE 57 HD11 ILE 57 21.755 -43.567 -4.237 474 3HD1 ILE 57 HD12 ILE 57 21.875 -45.302 -3.951 475 H ALA 58 HN ALA 58 17.813 -41.421 -6.552 476 HA ALA 58 HA ALA 58 18.096 -40.556 -9.210 477 1HB ALA 58 HB2 ALA 58 15.926 -40.839 -8.157 478 2HB ALA 58 HB3 ALA 58 16.211 -39.429 -7.143 479 3HB ALA 58 HB1 ALA 58 16.061 -39.245 -8.886 480 H ASN 59 HN ASN 59 18.513 -38.485 -6.320 481 HA ASN 59 HA ASN 59 19.462 -36.195 -7.722 482 1HB ASN 59 HB1 ASN 59 19.718 -37.037 -4.835 483 2HB ASN 59 HB2 ASN 59 20.441 -35.555 -5.441 484 1HD2 ASN 59 HD21 ASN 59 16.373 -35.712 -5.541 485 2HD2 ASN 59 HD22 ASN 59 17.216 -37.203 -5.220 486 H GLN 60 HN GLN 60 21.444 -38.852 -6.238 487 HA GLN 60 HA GLN 60 23.937 -37.882 -7.129 488 1HB GLN 60 HB1 GLN 60 22.941 -40.663 -6.532 489 2HB GLN 60 HB2 GLN 60 24.576 -40.390 -7.112 490 1HG GLN 60 HG1 GLN 60 25.227 -39.189 -5.186 491 2HG GLN 60 HG2 GLN 60 23.575 -38.871 -4.686 492 1HE2 GLN 60 HE21 GLN 60 23.182 -42.034 -3.134 493 2HE2 GLN 60 HE22 GLN 60 22.326 -40.746 -3.950 494 H VAL 61 HN VAL 61 21.717 -40.099 -8.895 495 HA VAL 61 HA VAL 61 23.219 -40.195 -11.301 496 HB VAL 61 HB VAL 61 20.258 -40.576 -10.812 497 1HG1 VAL 61 HG11 VAL 61 21.812 -41.348 -13.312 498 2HG1 VAL 61 HG12 VAL 61 20.153 -41.816 -12.953 499 3HG1 VAL 61 HG13 VAL 61 20.546 -40.130 -13.238 500 1HG2 VAL 61 HG22 VAL 61 22.521 -42.574 -11.194 501 2HG2 VAL 61 HG23 VAL 61 21.692 -42.221 -9.681 502 3HG2 VAL 61 HG21 VAL 61 20.821 -42.990 -10.999 503 NH1 ARG 62 NH1 ARG 62 16.008 -37.602 -12.567 504 NH2 ARG 62 NH2 ARG 62 15.697 -35.739 -13.682 505 H ARG 62 HN ARG 62 20.692 -37.834 -10.360 506 HA ARG 62 HA ARG 62 20.748 -36.244 -12.668 507 1HB ARG 62 HB1 ARG 62 19.311 -36.218 -10.410 508 2HB ARG 62 HB2 ARG 62 20.475 -35.027 -9.923 509 1HG ARG 62 HG1 ARG 62 18.534 -33.901 -10.745 510 2HG ARG 62 HG2 ARG 62 19.848 -33.609 -11.858 511 1HD ARG 62 HD1 ARG 62 17.615 -34.000 -12.930 512 2HD ARG 62 HD2 ARG 62 18.887 -35.049 -13.526 513 HE ARG 62 HE ARG 62 17.792 -36.586 -11.566 514 1HH1 ARG 62 HH12 ARG 62 16.565 -38.152 -11.966 515 2HH1 ARG 62 HH11 ARG 62 15.128 -37.951 -12.938 516 1HH2 ARG 62 HH22 ARG 62 15.936 -34.793 -13.864 517 2HH2 ARG 62 HH21 ARG 62 14.879 -36.128 -14.137 518 H ALA 63 HN ALA 63 22.864 -35.972 -9.784 519 HA ALA 63 HA ALA 63 24.486 -33.881 -10.886 520 1HB ALA 63 HB1 ALA 63 24.283 -34.234 -8.477 521 2HB ALA 63 HB2 ALA 63 25.010 -35.831 -8.619 522 3HB ALA 63 HB3 ALA 63 25.969 -34.390 -8.961 523 H GLU 64 HN GLU 64 25.110 -37.447 -10.673 524 HA GLU 64 HA GLU 64 27.672 -37.197 -11.978 525 1HB GLU 64 HB1 GLU 64 26.013 -39.606 -11.231 526 2HB GLU 64 HB2 GLU 64 27.633 -39.703 -11.893 527 1HG GLU 64 HG1 GLU 64 28.557 -38.533 -9.920 528 2HG GLU 64 HG2 GLU 64 26.937 -38.271 -9.284 529 H GLN 65 HN GLN 65 26.383 -35.973 -13.777 530 HA GLN 65 HA GLN 65 25.852 -37.850 -16.012 531 1HB GLN 65 HB1 GLN 65 25.061 -34.954 -15.626 532 2HB GLN 65 HB2 GLN 65 24.867 -35.802 -17.149 533 1HG GLN 65 HG1 GLN 65 23.350 -37.447 -16.058 534 2HG GLN 65 HG2 GLN 65 23.521 -36.609 -14.527 535 1HE2 GLN 65 HE21 GLN 65 21.211 -34.091 -15.492 536 2HE2 GLN 65 HE22 GLN 65 22.321 -34.593 -14.239 Start of MODEL 25 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 21.105 -48.254 8.250 2 2H MET 1 HT1 MET 1 19.897 -47.752 9.324 3 3H MET 1 HT3 MET 1 19.545 -47.927 7.676 4 HA MET 1 HA MET 1 19.816 -45.611 8.265 5 1HB MET 1 HB1 MET 1 21.262 -46.145 10.225 6 2HB MET 1 HB2 MET 1 22.589 -46.476 9.130 7 1HG MET 1 HG1 MET 1 22.594 -44.130 8.377 8 2HG MET 1 HG2 MET 1 21.206 -43.778 9.391 9 1HE MET 1 HE1 MET 1 21.349 -44.198 12.159 10 2HE MET 1 HE2 MET 1 22.613 -43.175 12.814 11 3HE MET 1 HE3 MET 1 21.552 -42.532 11.574 12 H LEU 2 HN LEU 2 19.877 -44.648 6.389 13 HA LEU 2 HA LEU 2 20.155 -44.140 4.240 14 1HB LEU 2 HB1 LEU 2 23.004 -44.033 5.224 15 2HB LEU 2 HB2 LEU 2 22.496 -43.382 3.680 16 HG LEU 2 HG LEU 2 21.295 -42.450 6.301 17 1HD1 LEU 2 HD13 LEU 2 23.633 -41.267 4.755 18 2HD1 LEU 2 HD11 LEU 2 22.851 -40.531 6.150 19 3HD1 LEU 2 HD12 LEU 2 23.732 -42.041 6.334 20 1HD2 LEU 2 HD21 LEU 2 21.420 -41.146 3.552 21 2HD2 LEU 2 HD22 LEU 2 19.985 -41.873 4.265 22 3HD2 LEU 2 HD23 LEU 2 20.696 -40.442 4.992 23 H GLN 3 HN GLN 3 23.245 -45.724 3.916 24 HA GLN 3 HA GLN 3 22.554 -46.955 1.450 25 1HB GLN 3 HB1 GLN 3 24.854 -46.154 2.256 26 2HB GLN 3 HB2 GLN 3 24.939 -47.633 3.194 27 1HG GLN 3 HG1 GLN 3 24.504 -48.873 0.934 28 2HG GLN 3 HG2 GLN 3 24.824 -47.324 0.171 29 1HE2 GLN 3 HE21 GLN 3 27.889 -49.545 1.446 30 2HE2 GLN 3 HE22 GLN 3 26.239 -50.122 1.547 31 H LYS 4 HN LYS 4 22.972 -48.232 4.720 32 HA LYS 4 HA LYS 4 22.390 -50.933 4.105 33 1HB LYS 4 HB1 LYS 4 22.480 -49.393 6.688 34 2HB LYS 4 HB2 LYS 4 21.966 -51.070 6.657 35 1HG LYS 4 HG1 LYS 4 24.641 -50.126 5.567 36 2HG LYS 4 HG2 LYS 4 24.415 -50.702 7.207 37 1HD LYS 4 HD1 LYS 4 23.781 -52.904 6.430 38 2HD LYS 4 HD2 LYS 4 23.741 -52.383 4.761 39 1HE LYS 4 HE1 LYS 4 26.251 -51.817 5.083 40 2HE LYS 4 HE2 LYS 4 26.134 -52.838 6.521 41 1HZ LYS 4 HZ1 LYS 4 25.170 -54.586 5.122 42 2HZ LYS 4 HZ2 LYS 4 25.282 -53.608 3.727 43 3HZ LYS 4 HZ3 LYS 4 26.695 -54.148 4.526 44 H LYS 5 HN LYS 5 20.260 -48.248 4.575 45 HA LYS 5 HA LYS 5 17.901 -49.857 5.068 46 1HB LYS 5 HB1 LYS 5 18.455 -47.377 5.775 47 2HB LYS 5 HB2 LYS 5 17.811 -46.982 4.204 48 1HG LYS 5 HG1 LYS 5 16.236 -48.749 6.086 49 2HG LYS 5 HG2 LYS 5 16.255 -47.016 6.321 50 1HD LYS 5 HD1 LYS 5 14.923 -46.592 4.572 51 2HD LYS 5 HD2 LYS 5 15.653 -47.778 3.536 52 1HE LYS 5 HE1 LYS 5 13.753 -48.509 5.768 53 2HE LYS 5 HE2 LYS 5 13.240 -48.209 4.111 54 1HZ LYS 5 HZ2 LYS 5 15.087 -49.878 3.504 55 2HZ LYS 5 HZ3 LYS 5 15.090 -50.387 5.099 56 3HZ LYS 5 HZ1 LYS 5 13.641 -50.553 4.220 57 H ILE 6 HN ILE 6 19.189 -48.123 2.161 58 HA ILE 6 HA ILE 6 17.349 -49.305 0.324 59 HB ILE 6 HB ILE 6 20.234 -48.784 -0.388 60 1HG1 ILE 6 HG11 ILE 6 18.826 -46.785 -1.646 61 2HG1 ILE 6 HG12 ILE 6 17.968 -46.914 -0.132 62 1HG2 ILE 6 HG22 ILE 6 17.835 -49.166 -2.285 63 2HG2 ILE 6 HG23 ILE 6 19.436 -48.655 -2.758 64 3HG2 ILE 6 HG21 ILE 6 19.196 -50.249 -2.083 65 1HD1 ILE 6 HD11 ILE 6 20.969 -46.547 -0.424 66 2HD1 ILE 6 HD12 ILE 6 19.825 -45.277 -0.014 67 3HD1 ILE 6 HD13 ILE 6 20.094 -46.607 1.104 68 H GLU 7 HN GLU 7 20.534 -50.556 1.462 69 HA GLU 7 HA GLU 7 20.431 -53.032 0.148 70 1HB GLU 7 HB1 GLU 7 21.733 -52.350 2.775 71 2HB GLU 7 HB2 GLU 7 21.899 -53.906 2.001 72 1HG GLU 7 HG1 GLU 7 23.040 -52.940 0.077 73 2HG GLU 7 HG2 GLU 7 22.739 -51.311 0.656 74 H GLU 8 HN GLU 8 19.236 -52.567 3.639 75 HA GLU 8 HA GLU 8 18.217 -55.227 3.411 76 1HB GLU 8 HB1 GLU 8 17.213 -55.114 5.556 77 2HB GLU 8 HB2 GLU 8 18.887 -54.643 5.547 78 1HG GLU 8 HG1 GLU 8 17.825 -53.267 7.152 79 2HG GLU 8 HG2 GLU 8 18.160 -52.238 5.782 80 H GLU 9 HN GLU 9 16.490 -52.277 2.321 81 HA GLU 9 HA GLU 9 14.180 -54.058 1.976 82 1HB GLU 9 HB1 GLU 9 14.437 -51.254 1.948 83 2HB GLU 9 HB2 GLU 9 13.989 -51.686 0.317 84 1HG GLU 9 HG1 GLU 9 11.939 -51.356 1.611 85 2HG GLU 9 HG2 GLU 9 12.071 -53.063 1.225 86 H ALA 10 HN ALA 10 16.170 -52.407 -0.480 87 HA ALA 10 HA ALA 10 15.419 -54.253 -2.538 88 1HB ALA 10 HB2 ALA 10 17.726 -52.310 -2.361 89 2HB ALA 10 HB3 ALA 10 17.231 -53.156 -3.827 90 3HB ALA 10 HB1 ALA 10 16.132 -52.009 -3.061 91 H ALA 11 HN ALA 11 17.887 -55.106 -0.082 92 HA ALA 11 HA ALA 11 18.581 -57.370 -1.725 93 1HB ALA 11 HB3 ALA 11 18.874 -56.961 1.260 94 2HB ALA 11 HB1 ALA 11 19.537 -58.332 0.354 95 3HB ALA 11 HB2 ALA 11 20.097 -56.692 0.027 96 H LYS 12 HN LYS 12 15.800 -56.800 0.383 97 HA LYS 12 HA LYS 12 15.266 -59.565 0.922 98 1HB LYS 12 HB1 LYS 12 13.440 -57.164 1.121 99 2HB LYS 12 HB2 LYS 12 12.956 -58.789 1.566 100 1HG LYS 12 HG1 LYS 12 14.837 -58.762 3.286 101 2HG LYS 12 HG2 LYS 12 15.025 -57.049 2.923 102 1HD LYS 12 HD1 LYS 12 12.457 -56.894 3.359 103 2HD LYS 12 HD2 LYS 12 12.621 -58.464 4.104 104 1HE LYS 12 HE1 LYS 12 12.693 -56.963 5.898 105 2HE LYS 12 HE2 LYS 12 14.385 -57.374 5.631 106 1HZ LYS 12 HZ2 LYS 12 13.011 -54.943 4.474 107 2HZ LYS 12 HZ3 LYS 12 14.168 -54.917 5.755 108 3HZ LYS 12 HZ1 LYS 12 14.628 -55.398 4.209 109 OH TYR 13 OH TYR 13 15.837 -55.379 -7.600 110 H TYR 13 HN TYR 13 13.814 -57.297 -1.361 111 HA TYR 13 HA TYR 13 12.557 -57.449 -3.205 112 1HB TYR 13 HB1 TYR 13 14.383 -59.747 -3.490 113 2HB TYR 13 HB2 TYR 13 12.962 -59.807 -4.504 114 HD1 TYR 13 HD1 TYR 13 13.487 -59.088 -6.656 115 HD2 TYR 13 HD2 TYR 13 15.230 -56.899 -3.433 116 HE1 TYR 13 HE1 TYR 13 14.443 -57.460 -8.239 117 HE2 TYR 13 HE2 TYR 13 16.191 -55.351 -5.026 118 HH TYR 13 HH TYR 13 16.207 -54.608 -7.115 119 H LYS 14 HN LYS 14 12.081 -60.262 -1.224 120 HA LYS 14 HA LYS 14 9.442 -60.982 -1.867 121 1HB LYS 14 HB1 LYS 14 10.803 -60.961 0.863 122 2HB LYS 14 HB2 LYS 14 9.403 -61.924 0.423 123 1HG LYS 14 HG1 LYS 14 10.638 -63.362 -0.956 124 2HG LYS 14 HG2 LYS 14 11.958 -62.242 -1.166 125 1HD LYS 14 HD1 LYS 14 12.141 -62.641 1.525 126 2HD LYS 14 HD2 LYS 14 11.421 -64.164 1.043 127 1HE LYS 14 HE1 LYS 14 13.717 -64.602 0.915 128 2HE LYS 14 HE2 LYS 14 13.284 -64.271 -0.757 129 1HZ LYS 14 HZ2 LYS 14 13.984 -61.863 -0.351 130 2HZ LYS 14 HZ3 LYS 14 14.479 -62.374 1.180 131 3HZ LYS 14 HZ1 LYS 14 15.236 -62.999 -0.191 132 OH TYR 15 OH TYR 15 8.647 -58.252 6.881 133 H TYR 15 HN TYR 15 10.540 -58.445 0.404 134 HA TYR 15 HA TYR 15 7.912 -57.292 0.740 135 1HB TYR 15 HB1 TYR 15 10.715 -56.398 1.423 136 2HB TYR 15 HB2 TYR 15 9.361 -55.317 1.588 137 HD1 TYR 15 HD1 TYR 15 10.165 -55.212 3.967 138 HD2 TYR 15 HD2 TYR 15 8.499 -58.821 2.433 139 HE1 TYR 15 HE1 TYR 15 9.700 -56.001 6.253 140 HE2 TYR 15 HE2 TYR 15 8.087 -59.587 4.698 141 HH TYR 15 HH TYR 15 8.242 -59.120 6.869 142 H ALA 16 HN ALA 16 7.563 -57.551 -1.510 143 HA ALA 16 HA ALA 16 8.929 -56.446 -3.619 144 1HB ALA 16 HB1 ALA 16 6.011 -57.249 -3.427 145 2HB ALA 16 HB2 ALA 16 6.885 -57.002 -4.935 146 3HB ALA 16 HB3 ALA 16 7.377 -58.282 -3.833 147 H MET 17 HN MET 17 6.054 -55.062 -2.131 148 HA MET 17 HA MET 17 5.860 -52.747 -3.795 149 1HB MET 17 HB1 MET 17 4.640 -53.387 -1.093 150 2HB MET 17 HB2 MET 17 4.258 -51.956 -2.030 151 1HG MET 17 HG1 MET 17 3.405 -53.341 -3.874 152 2HG MET 17 HG2 MET 17 3.809 -54.804 -2.999 153 1HE MET 17 HE3 MET 17 2.023 -56.107 -1.802 154 2HE MET 17 HE1 MET 17 2.706 -55.233 -0.412 155 3HE MET 17 HE2 MET 17 0.968 -55.363 -0.615 156 H LEU 18 HN LEU 18 7.598 -53.351 -0.794 157 HA LEU 18 HA LEU 18 8.021 -50.542 -0.200 158 1HB LEU 18 HB1 LEU 18 9.383 -52.913 1.096 159 2HB LEU 18 HB2 LEU 18 9.233 -51.283 1.725 160 HG LEU 18 HG LEU 18 7.039 -53.351 1.467 161 1HD1 LEU 18 HD11 LEU 18 8.523 -53.652 3.377 162 2HD1 LEU 18 HD12 LEU 18 8.268 -51.983 3.870 163 3HD1 LEU 18 HD13 LEU 18 6.934 -53.132 3.917 164 1HD2 LEU 18 HD22 LEU 18 6.788 -50.483 2.384 165 2HD2 LEU 18 HD23 LEU 18 6.078 -51.156 0.927 166 3HD2 LEU 18 HD21 LEU 18 5.516 -51.706 2.508 167 H LYS 19 HN LYS 19 10.184 -53.221 -1.193 168 HA LYS 19 HA LYS 19 12.270 -51.600 -2.093 169 1HB LYS 19 HB1 LYS 19 12.569 -53.976 -1.969 170 2HB LYS 19 HB2 LYS 19 11.092 -54.323 -2.813 171 1HG LYS 19 HG1 LYS 19 13.440 -53.153 -4.299 172 2HG LYS 19 HG2 LYS 19 13.405 -54.850 -3.897 173 1HD LYS 19 HD1 LYS 19 11.315 -53.453 -5.599 174 2HD LYS 19 HD2 LYS 19 12.674 -54.342 -6.209 175 1HE LYS 19 HE1 LYS 19 11.705 -56.326 -5.989 176 2HE LYS 19 HE2 LYS 19 11.075 -55.981 -4.389 177 1HZ LYS 19 HZ3 LYS 19 9.962 -54.816 -6.877 178 2HZ LYS 19 HZ1 LYS 19 9.344 -56.206 -6.139 179 3HZ LYS 19 HZ2 LYS 19 9.274 -54.719 -5.313 180 H LYS 20 HN LYS 20 9.235 -52.421 -3.976 181 HA LYS 20 HA LYS 20 9.928 -50.878 -6.235 182 1HB LYS 20 HB1 LYS 20 7.897 -52.386 -6.037 183 2HB LYS 20 HB2 LYS 20 7.150 -51.170 -5.027 184 1HG LYS 20 HG1 LYS 20 7.477 -49.549 -7.055 185 2HG LYS 20 HG2 LYS 20 7.826 -50.991 -7.979 186 1HD LYS 20 HD1 LYS 20 5.542 -50.552 -8.353 187 2HD LYS 20 HD2 LYS 20 5.566 -51.886 -7.226 188 1HE LYS 20 HE1 LYS 20 3.846 -50.421 -6.498 189 2HE LYS 20 HE2 LYS 20 5.162 -50.217 -5.356 190 1HZ LYS 20 HZ3 LYS 20 4.755 -48.461 -7.710 191 2HZ LYS 20 HZ1 LYS 20 4.191 -48.097 -6.159 192 3HZ LYS 20 HZ2 LYS 20 5.845 -48.134 -6.462 193 H CYS 21 HN CYS 21 8.253 -49.642 -3.128 194 HA CYS 21 HA CYS 21 8.303 -46.965 -3.825 195 1HB CYS 21 HB1 CYS 21 8.686 -48.334 -1.210 196 2HB CYS 21 HB2 CYS 21 8.895 -46.607 -1.290 197 H CYS 22 HN CYS 22 11.134 -48.700 -2.433 198 HA CYS 22 HA CYS 22 13.199 -46.784 -2.862 199 1HB CYS 22 HB1 CYS 22 13.242 -49.290 -2.052 200 2HB CYS 22 HB2 CYS 22 13.900 -49.456 -3.638 201 OH TYR 23 OH TYR 23 16.512 -53.083 -6.415 202 H TYR 23 HN TYR 23 11.991 -48.902 -5.318 203 HA TYR 23 HA TYR 23 13.623 -47.552 -7.240 204 1HB TYR 23 HB1 TYR 23 11.517 -49.639 -7.515 205 2HB TYR 23 HB2 TYR 23 12.662 -49.164 -8.756 206 HD1 TYR 23 HD1 TYR 23 12.612 -51.765 -8.181 207 HD2 TYR 23 HD2 TYR 23 14.632 -49.095 -5.473 208 HE1 TYR 23 HE1 TYR 23 14.465 -53.403 -7.905 209 HE2 TYR 23 HE2 TYR 23 16.425 -50.682 -5.317 210 HH TYR 23 HH TYR 23 17.211 -52.704 -5.875 211 H ASP 24 HN ASP 24 10.203 -47.097 -6.459 212 HA ASP 24 HA ASP 24 9.640 -45.017 -8.303 213 1HB ASP 24 HB1 ASP 24 8.603 -45.308 -5.450 214 2HB ASP 24 HB2 ASP 24 8.016 -44.196 -6.660 215 H GLY 25 HN GLY 25 11.325 -44.759 -5.157 216 1HA GLY 25 HA1 GLY 25 12.016 -42.003 -5.395 217 2HA GLY 25 HA2 GLY 25 12.848 -43.175 -4.403 218 H ALA 26 HN ALA 26 13.913 -44.878 -6.297 219 HA ALA 26 HA ALA 26 16.161 -43.534 -7.340 220 1HB ALA 26 HB2 ALA 26 16.193 -45.912 -6.795 221 2HB ALA 26 HB3 ALA 26 15.079 -46.249 -8.120 222 3HB ALA 26 HB1 ALA 26 16.698 -45.657 -8.461 223 OH TYR 27 OH TYR 27 14.508 -48.459 -14.137 224 H TYR 27 HN TYR 27 13.168 -44.439 -9.150 225 HA TYR 27 HA TYR 27 14.127 -43.051 -11.499 226 1HB TYR 27 HB1 TYR 27 11.485 -44.308 -10.784 227 2HB TYR 27 HB2 TYR 27 11.679 -43.365 -12.246 228 HD1 TYR 27 HD1 TYR 27 13.254 -44.156 -14.041 229 HD2 TYR 27 HD2 TYR 27 12.554 -46.507 -10.575 230 HE1 TYR 27 HE1 TYR 27 14.254 -46.117 -15.157 231 HE2 TYR 27 HE2 TYR 27 13.544 -48.458 -11.701 232 HH TYR 27 HH TYR 27 14.498 -49.223 -13.560 233 NH1 ARG 28 NH1 ARG 28 15.427 -33.468 -6.588 234 NH2 ARG 28 NH2 ARG 28 16.439 -35.167 -5.622 235 H ARG 28 HN ARG 28 14.618 -41.182 -9.789 236 HA ARG 28 HA ARG 28 12.501 -39.157 -9.908 237 1HB ARG 28 HB1 ARG 28 13.932 -39.464 -7.880 238 2HB ARG 28 HB2 ARG 28 15.336 -39.031 -8.834 239 1HG ARG 28 HG1 ARG 28 14.425 -36.754 -9.200 240 2HG ARG 28 HG2 ARG 28 12.989 -37.171 -8.287 241 1HD ARG 28 HD1 ARG 28 14.277 -37.393 -6.256 242 2HD ARG 28 HD2 ARG 28 15.787 -37.273 -7.165 243 HE ARG 28 HE ARG 28 13.971 -34.975 -7.515 244 1HH1 ARG 28 HH12 ARG 28 14.707 -33.166 -7.208 245 2HH1 ARG 28 HH11 ARG 28 16.048 -32.858 -6.120 246 1HH2 ARG 28 HH22 ARG 28 16.435 -36.139 -5.449 247 2HH2 ARG 28 HH21 ARG 28 17.132 -34.570 -5.194 248 H ASN 29 HN ASN 29 12.623 -37.251 -11.119 249 HA ASN 29 HA ASN 29 14.462 -37.275 -13.443 250 1HB ASN 29 HB1 ASN 29 11.998 -35.534 -13.012 251 2HB ASN 29 HB2 ASN 29 12.861 -35.800 -14.513 252 1HD2 ASN 29 HD21 ASN 29 10.178 -38.559 -13.279 253 2HD2 ASN 29 HD22 ASN 29 10.829 -37.457 -12.095 254 H ASP 30 HN ASP 30 15.572 -35.269 -14.031 255 HA ASP 30 HA ASP 30 16.815 -33.973 -11.812 256 1HB ASP 30 HB1 ASP 30 18.140 -32.821 -13.631 257 2HB ASP 30 HB2 ASP 30 18.199 -34.574 -13.639 258 H ASP 31 HN ASP 31 14.294 -33.261 -11.507 259 HA ASP 31 HA ASP 31 14.223 -30.366 -11.685 260 1HB ASP 31 HB1 ASP 31 11.922 -30.392 -12.897 261 2HB ASP 31 HB2 ASP 31 13.377 -30.606 -13.852 262 H GLU 32 HN GLU 32 11.578 -32.782 -11.228 263 HA GLU 32 HA GLU 32 10.642 -31.536 -8.893 264 1HB GLU 32 HB1 GLU 32 9.247 -33.589 -8.538 265 2HB GLU 32 HB2 GLU 32 9.036 -32.691 -10.011 266 1HG GLU 32 HG1 GLU 32 8.820 -34.964 -10.606 267 2HG GLU 32 HG2 GLU 32 10.367 -34.470 -11.228 268 H THR 33 HN THR 33 10.494 -32.111 -6.763 269 HA THR 33 HA THR 33 12.751 -33.665 -5.680 270 HB THR 33 HB THR 33 12.193 -32.802 -3.475 271 HG1 THR 33 HG1 THR 33 10.038 -31.524 -4.841 272 1HG2 THR 33 HG21 THR 33 12.322 -30.564 -5.505 273 2HG2 THR 33 HG22 THR 33 12.677 -30.438 -3.786 274 3HG2 THR 33 HG23 THR 33 13.708 -31.425 -4.827 275 H CYS 34 HN CYS 34 12.493 -35.505 -4.545 276 HA CYS 34 HA CYS 34 10.354 -37.199 -5.208 277 1HB CYS 34 HB1 CYS 34 11.422 -38.813 -3.709 278 2HB CYS 34 HB2 CYS 34 12.542 -38.076 -4.819 279 H GLU 35 HN GLU 35 10.763 -35.167 -2.418 280 HA GLU 35 HA GLU 35 8.837 -36.335 -0.693 281 1HB GLU 35 HB1 GLU 35 9.755 -33.429 -0.900 282 2HB GLU 35 HB2 GLU 35 8.848 -34.098 0.438 283 1HG GLU 35 HG1 GLU 35 11.031 -34.051 1.280 284 2HG GLU 35 HG2 GLU 35 10.867 -35.707 0.767 285 H GLU 36 HN GLU 36 8.315 -34.181 -3.463 286 HA GLU 36 HA GLU 36 5.611 -33.432 -2.833 287 1HB GLU 36 HB1 GLU 36 7.069 -33.720 -5.495 288 2HB GLU 36 HB2 GLU 36 5.475 -33.002 -5.323 289 1HG GLU 36 HG1 GLU 36 6.339 -31.100 -4.145 290 2HG GLU 36 HG2 GLU 36 7.887 -31.873 -3.844 291 NH1 ARG 37 NH1 ARG 37 10.696 -39.252 -7.709 292 NH2 ARG 37 NH2 ARG 37 9.108 -40.713 -8.051 293 H ARG 37 HN ARG 37 6.904 -35.844 -5.039 294 HA ARG 37 HA ARG 37 4.582 -37.354 -5.517 295 1HB ARG 37 HB1 ARG 37 7.512 -38.122 -5.605 296 2HB ARG 37 HB2 ARG 37 6.224 -39.207 -6.078 297 1HG ARG 37 HG1 ARG 37 5.505 -37.409 -7.767 298 2HG ARG 37 HG2 ARG 37 7.025 -36.606 -7.400 299 1HD ARG 37 HD1 ARG 37 6.840 -39.476 -8.320 300 2HD ARG 37 HD2 ARG 37 7.072 -38.134 -9.421 301 HE ARG 37 HE ARG 37 9.185 -37.593 -8.095 302 1HH1 ARG 37 HH12 ARG 37 10.975 -38.300 -7.661 303 2HH1 ARG 37 HH11 ARG 37 11.313 -40.017 -7.587 304 1HH2 ARG 37 HH22 ARG 37 8.170 -40.893 -8.286 305 2HH2 ARG 37 HH21 ARG 37 9.771 -41.469 -7.894 306 H ALA 38 HN ALA 38 7.162 -37.995 -3.026 307 HA ALA 38 HA ALA 38 5.477 -40.022 -1.868 308 1HB ALA 38 HB2 ALA 38 8.241 -39.122 -1.249 309 2HB ALA 38 HB3 ALA 38 7.378 -40.418 -0.393 310 3HB ALA 38 HB1 ALA 38 7.615 -40.547 -2.137 311 H ALA 39 HN ALA 39 5.501 -36.563 -1.101 312 HA ALA 39 HA ALA 39 3.821 -36.982 1.120 313 1HB ALA 39 HB3 ALA 39 4.529 -34.746 0.411 314 2HB ALA 39 HB1 ALA 39 3.598 -34.897 -1.074 315 3HB ALA 39 HB2 ALA 39 2.768 -34.830 0.483 316 NH1 ARG 40 NH1 ARG 40 -2.421 -38.185 -7.294 317 NH2 ARG 40 NH2 ARG 40 -0.941 -36.833 -8.164 318 H ARG 40 HN ARG 40 3.031 -37.257 -2.381 319 HA ARG 40 HA ARG 40 0.392 -38.298 -1.792 320 1HB ARG 40 HB1 ARG 40 2.022 -38.453 -4.323 321 2HB ARG 40 HB2 ARG 40 0.355 -38.982 -4.192 322 1HG ARG 40 HG1 ARG 40 -0.289 -36.644 -3.512 323 2HG ARG 40 HG2 ARG 40 1.374 -36.148 -3.764 324 1HD ARG 40 HD1 ARG 40 0.133 -35.535 -5.720 325 2HD ARG 40 HD2 ARG 40 1.170 -36.899 -6.157 326 HE ARG 40 HE ARG 40 -1.345 -37.880 -5.266 327 1HH1 ARG 40 HH12 ARG 40 -2.784 -38.668 -6.511 328 2HH1 ARG 40 HH11 ARG 40 -2.830 -38.254 -8.191 329 1HH2 ARG 40 HH22 ARG 40 -0.145 -36.263 -8.036 330 2HH2 ARG 40 HH21 ARG 40 -1.386 -36.938 -9.040 331 H ILE 41 HN ILE 41 3.328 -40.227 -2.775 332 HA ILE 41 HA ILE 41 2.219 -42.692 -2.294 333 HB ILE 41 HB ILE 41 5.209 -42.173 -2.272 334 1HG1 ILE 41 HG11 ILE 41 4.450 -43.709 -4.477 335 2HG1 ILE 41 HG12 ILE 41 3.101 -42.568 -4.337 336 1HG2 ILE 41 HG23 ILE 41 3.744 -44.709 -2.297 337 2HG2 ILE 41 HG21 ILE 41 5.476 -44.343 -2.704 338 3HG2 ILE 41 HG22 ILE 41 4.848 -44.121 -1.041 339 1HD1 ILE 41 HD12 ILE 41 5.912 -41.685 -4.116 340 2HD1 ILE 41 HD13 ILE 41 5.114 -41.829 -5.724 341 3HD1 ILE 41 HD11 ILE 41 4.504 -40.723 -4.486 342 H LYS 42 HN LYS 42 1.170 -42.775 -0.865 343 HA LYS 42 HA LYS 42 1.757 -42.581 2.030 344 1HB LYS 42 HB1 LYS 42 -0.527 -41.962 0.377 345 2HB LYS 42 HB2 LYS 42 -1.027 -43.179 1.523 346 1HG LYS 42 HG1 LYS 42 -1.518 -41.004 2.418 347 2HG LYS 42 HG2 LYS 42 -0.254 -41.738 3.388 348 1HD LYS 42 HD1 LYS 42 1.442 -40.350 2.373 349 2HD LYS 42 HD2 LYS 42 0.328 -39.785 1.143 350 1HE LYS 42 HE1 LYS 42 -0.971 -38.581 2.824 351 2HE LYS 42 HE2 LYS 42 0.073 -39.205 4.109 352 1HZ LYS 42 HZ3 LYS 42 1.106 -37.724 1.704 353 2HZ LYS 42 HZ1 LYS 42 0.749 -36.959 3.210 354 3HZ LYS 42 HZ2 LYS 42 1.947 -38.158 3.114 355 H ILE 43 HN ILE 43 2.350 -45.092 0.250 356 HA ILE 43 HA ILE 43 0.512 -47.131 0.981 357 HB ILE 43 HB ILE 43 3.307 -47.348 -0.125 358 1HG1 ILE 43 HG11 ILE 43 1.977 -46.092 -1.673 359 2HG1 ILE 43 HG12 ILE 43 2.320 -47.668 -2.328 360 1HG2 ILE 43 HG22 ILE 43 1.197 -49.517 -0.074 361 2HG2 ILE 43 HG23 ILE 43 2.696 -49.581 -0.996 362 3HG2 ILE 43 HG21 ILE 43 2.746 -49.530 0.755 363 1HD1 ILE 43 HD12 ILE 43 -0.015 -48.387 -1.828 364 2HD1 ILE 43 HD13 ILE 43 -0.359 -46.792 -1.168 365 3HD1 ILE 43 HD11 ILE 43 0.031 -46.975 -2.870 366 H GLY 44 HN GLY 44 3.629 -46.280 2.497 367 1HA GLY 44 HA1 GLY 44 2.679 -47.143 5.012 368 2HA GLY 44 HA2 GLY 44 3.767 -48.360 4.386 369 HA PRO 45 HA PRO 45 6.131 -44.709 6.684 370 1HB PRO 45 HB1 PRO 45 6.535 -47.059 8.566 371 2HB PRO 45 HB2 PRO 45 6.546 -45.319 8.914 372 1HG PRO 45 HG1 PRO 45 4.342 -46.661 9.437 373 2HG PRO 45 HG2 PRO 45 4.187 -45.129 8.552 374 1HD PRO 45 HD1 PRO 45 4.188 -47.959 7.451 375 2HD PRO 45 HD2 PRO 45 3.080 -46.613 7.103 376 H LYS 46 HN LYS 46 7.055 -48.140 6.553 377 HA LYS 46 HA LYS 46 9.824 -47.610 6.037 378 1HB LYS 46 HB1 LYS 46 8.607 -49.655 7.187 379 2HB LYS 46 HB2 LYS 46 8.593 -50.303 5.560 380 1HG LYS 46 HG1 LYS 46 10.966 -50.379 5.445 381 2HG LYS 46 HG2 LYS 46 11.163 -49.266 6.786 382 1HD LYS 46 HD1 LYS 46 10.199 -50.998 8.322 383 2HD LYS 46 HD2 LYS 46 10.134 -52.117 6.979 384 1HE LYS 46 HE1 LYS 46 12.741 -50.806 7.784 385 2HE LYS 46 HE2 LYS 46 12.148 -52.225 8.635 386 1HZ LYS 46 HZ1 LYS 46 12.542 -52.050 5.661 387 2HZ LYS 46 HZ2 LYS 46 13.633 -52.825 6.708 388 3HZ LYS 46 HZ3 LYS 46 12.038 -53.404 6.537 389 H CYS 47 HN CYS 47 7.075 -47.856 3.970 390 HA CYS 47 HA CYS 47 8.439 -48.207 1.468 391 1HB CYS 47 HB1 CYS 47 5.765 -48.132 2.229 392 2HB CYS 47 HB2 CYS 47 5.937 -46.606 1.411 393 H VAL 48 HN VAL 48 6.960 -45.121 2.841 394 HA VAL 48 HA VAL 48 8.362 -43.444 1.408 395 HB VAL 48 HB VAL 48 8.387 -42.295 4.114 396 1HG1 VAL 48 HG12 VAL 48 8.154 -41.063 1.861 397 2HG1 VAL 48 HG13 VAL 48 6.632 -41.953 1.658 398 3HG1 VAL 48 HG11 VAL 48 6.780 -40.720 2.919 399 1HG2 VAL 48 HG21 VAL 48 6.813 -43.835 4.722 400 2HG2 VAL 48 HG22 VAL 48 6.103 -42.220 4.627 401 3HG2 VAL 48 HG23 VAL 48 5.754 -43.416 3.376 402 H LYS 49 HN LYS 49 9.729 -44.890 4.375 403 HA LYS 49 HA LYS 49 12.277 -43.673 4.221 404 1HB LYS 49 HB1 LYS 49 11.585 -46.363 5.381 405 2HB LYS 49 HB2 LYS 49 13.129 -45.552 5.574 406 1HG LYS 49 HG1 LYS 49 12.017 -43.648 6.693 407 2HG LYS 49 HG2 LYS 49 10.465 -44.461 6.523 408 1HD LYS 49 HD1 LYS 49 11.310 -46.348 7.898 409 2HD LYS 49 HD2 LYS 49 12.844 -45.509 8.094 410 1HE LYS 49 HE1 LYS 49 11.677 -43.636 9.211 411 2HE LYS 49 HE2 LYS 49 10.139 -44.475 9.008 412 1HZ LYS 49 HZ2 LYS 49 11.030 -46.333 10.265 413 2HZ LYS 49 HZ3 LYS 49 12.504 -45.530 10.459 414 3HZ LYS 49 HZ1 LYS 49 11.105 -44.919 11.194 415 H ALA 50 HN ALA 50 11.532 -46.953 2.778 416 HA ALA 50 HA ALA 50 13.885 -47.403 1.253 417 1HB ALA 50 HB2 ALA 50 12.038 -48.971 1.526 418 2HB ALA 50 HB3 ALA 50 11.014 -47.982 0.506 419 3HB ALA 50 HB1 ALA 50 12.424 -48.790 -0.171 420 H PHE 51 HN PHE 51 10.979 -45.523 0.298 421 HA PHE 51 HA PHE 51 11.756 -44.498 -2.175 422 1HB PHE 51 HB1 PHE 51 9.522 -44.377 -0.758 423 2HB PHE 51 HB2 PHE 51 10.161 -42.871 -0.166 424 HD1 PHE 51 HD1 PHE 51 7.986 -44.201 -2.590 425 HD2 PHE 51 HD2 PHE 51 10.919 -41.132 -2.154 426 HE1 PHE 51 HE1 PHE 51 7.234 -43.269 -4.552 427 HE2 PHE 51 HE2 PHE 51 10.174 -40.218 -4.328 428 HZ PHE 51 HZ PHE 51 8.341 -41.248 -5.539 429 H LYS 52 HN LYS 52 12.072 -42.754 0.966 430 HA LYS 52 HA LYS 52 13.455 -40.585 -0.144 431 1HB LYS 52 HB1 LYS 52 12.125 -40.421 1.874 432 2HB LYS 52 HB2 LYS 52 13.176 -41.521 2.722 433 1HG LYS 52 HG1 LYS 52 13.490 -39.224 3.484 434 2HG LYS 52 HG2 LYS 52 14.961 -39.848 2.775 435 1HD LYS 52 HD1 LYS 52 14.551 -38.561 0.717 436 2HD LYS 52 HD2 LYS 52 13.023 -37.976 1.360 437 1HE LYS 52 HE1 LYS 52 14.089 -36.677 3.024 438 2HE LYS 52 HE2 LYS 52 15.624 -37.513 2.831 439 1HZ LYS 52 HZ2 LYS 52 15.655 -36.663 0.510 440 2HZ LYS 52 HZ3 LYS 52 14.295 -35.669 0.809 441 3HZ LYS 52 HZ1 LYS 52 15.756 -35.440 1.669 442 H ASP 53 HN ASP 53 14.827 -43.558 1.407 443 HA ASP 53 HA ASP 53 17.520 -42.547 1.277 444 1HB ASP 53 HB1 ASP 53 16.377 -45.267 1.860 445 2HB ASP 53 HB2 ASP 53 18.112 -44.995 1.737 446 H CYS 54 HN CYS 54 15.794 -44.836 -0.960 447 HA CYS 54 HA CYS 54 17.779 -44.752 -2.950 448 1HB CYS 54 HB1 CYS 54 14.870 -45.296 -2.903 449 2HB CYS 54 HB2 CYS 54 15.594 -44.997 -4.455 450 H CYS 55 HN CYS 55 15.175 -42.289 -2.415 451 HA CYS 55 HA CYS 55 15.891 -40.530 -4.457 452 1HB CYS 55 HB1 CYS 55 13.949 -40.248 -2.999 453 2HB CYS 55 HB2 CYS 55 15.005 -39.845 -1.661 454 OH TYR 56 OH TYR 56 18.808 -36.579 3.939 455 H TYR 56 HN TYR 56 17.421 -40.606 -1.164 456 HA TYR 56 HA TYR 56 19.477 -38.797 -1.650 457 1HB TYR 56 HB1 TYR 56 19.344 -41.269 0.048 458 2HB TYR 56 HB2 TYR 56 20.906 -40.522 -0.188 459 HD1 TYR 56 HD1 TYR 56 21.167 -38.036 0.395 460 HD2 TYR 56 HD2 TYR 56 17.789 -40.287 1.645 461 HE1 TYR 56 HE1 TYR 56 20.751 -36.416 2.189 462 HE2 TYR 56 HE2 TYR 56 17.431 -38.698 3.489 463 HH TYR 56 HH TYR 56 19.467 -35.884 3.927 464 H ILE 57 HN ILE 57 19.663 -42.306 -2.426 465 HA ILE 57 HA ILE 57 22.071 -42.154 -3.908 466 HB ILE 57 HB ILE 57 19.743 -44.006 -4.438 467 1HG1 ILE 57 HG11 ILE 57 20.303 -44.403 -2.226 468 2HG1 ILE 57 HG12 ILE 57 21.074 -45.691 -3.119 469 1HG2 ILE 57 HG22 ILE 57 22.626 -44.385 -5.296 470 2HG2 ILE 57 HG23 ILE 57 21.369 -45.612 -5.399 471 3HG2 ILE 57 HG21 ILE 57 21.243 -44.149 -6.355 472 1HD1 ILE 57 HD11 ILE 57 23.253 -44.450 -2.943 473 2HD1 ILE 57 HD12 ILE 57 22.421 -43.228 -1.981 474 3HD1 ILE 57 HD13 ILE 57 22.578 -44.869 -1.367 475 H ALA 58 HN ALA 58 18.838 -41.843 -5.201 476 HA ALA 58 HA ALA 58 19.373 -41.175 -7.885 477 1HB ALA 58 HB2 ALA 58 17.116 -41.541 -7.059 478 2HB ALA 58 HB3 ALA 58 17.180 -40.024 -6.172 479 3HB ALA 58 HB1 ALA 58 17.242 -40.020 -7.932 480 H ASN 59 HN ASN 59 19.088 -38.799 -5.192 481 HA ASN 59 HA ASN 59 19.898 -36.544 -6.715 482 1HB ASN 59 HB1 ASN 59 18.723 -36.716 -4.363 483 2HB ASN 59 HB2 ASN 59 20.353 -36.725 -3.729 484 1HD2 ASN 59 HD21 ASN 59 20.987 -33.372 -4.457 485 2HD2 ASN 59 HD22 ASN 59 21.628 -34.687 -5.397 486 H GLN 60 HN GLN 60 21.928 -38.789 -4.749 487 HA GLN 60 HA GLN 60 24.394 -37.484 -5.289 488 1HB GLN 60 HB1 GLN 60 23.778 -40.368 -4.627 489 2HB GLN 60 HB2 GLN 60 25.412 -39.743 -4.776 490 1HG GLN 60 HG1 GLN 60 24.993 -38.155 -2.906 491 2HG GLN 60 HG2 GLN 60 23.333 -38.727 -2.795 492 1HE2 GLN 60 HE21 GLN 60 26.247 -41.142 -1.335 493 2HE2 GLN 60 HE22 GLN 60 26.712 -39.931 -2.491 494 H VAL 61 HN VAL 61 22.798 -40.131 -7.144 495 HA VAL 61 HA VAL 61 24.742 -40.208 -9.210 496 HB VAL 61 HB VAL 61 21.825 -40.987 -9.257 497 1HG1 VAL 61 HG13 VAL 61 23.950 -41.670 -11.332 498 2HG1 VAL 61 HG11 VAL 61 22.329 -42.345 -11.275 499 3HG1 VAL 61 HG12 VAL 61 22.555 -40.641 -11.625 500 1HG2 VAL 61 HG23 VAL 61 24.362 -42.650 -9.029 501 2HG2 VAL 61 HG21 VAL 61 23.203 -42.335 -7.740 502 3HG2 VAL 61 HG22 VAL 61 22.729 -43.300 -9.131 503 NH1 ARG 62 NH1 ARG 62 16.680 -40.964 -11.161 504 NH2 ARG 62 NH2 ARG 62 18.706 -41.519 -10.615 505 H ARG 62 HN ARG 62 21.656 -38.320 -9.175 506 HA ARG 62 HA ARG 62 22.110 -37.139 -11.723 507 1HB ARG 62 HB1 ARG 62 20.191 -36.600 -9.486 508 2HB ARG 62 HB2 ARG 62 20.330 -35.440 -10.784 509 1HG ARG 62 HG1 ARG 62 18.445 -36.994 -11.109 510 2HG ARG 62 HG2 ARG 62 19.596 -37.062 -12.427 511 1HD ARG 62 HD1 ARG 62 20.271 -39.207 -11.933 512 2HD ARG 62 HD2 ARG 62 19.890 -39.039 -10.212 513 HE ARG 62 HE ARG 62 17.521 -38.954 -11.902 514 1HH1 ARG 62 HH12 ARG 62 16.036 -40.273 -11.536 515 2HH1 ARG 62 HH11 ARG 62 16.396 -41.879 -10.838 516 1HH2 ARG 62 HH22 ARG 62 19.663 -41.283 -10.553 517 2HH2 ARG 62 HH21 ARG 62 18.336 -42.398 -10.350 518 H ALA 63 HN ALA 63 23.373 -36.118 -8.609 519 HA ALA 63 HA ALA 63 24.320 -33.571 -9.412 520 1HB ALA 63 HB1 ALA 63 24.262 -34.324 -7.076 521 2HB ALA 63 HB2 ALA 63 25.456 -35.570 -7.421 522 3HB ALA 63 HB3 ALA 63 25.904 -33.868 -7.521 523 H GLU 64 HN GLU 64 25.579 -36.771 -10.140 524 HA GLU 64 HA GLU 64 27.873 -35.525 -11.540 525 1HB GLU 64 HB1 GLU 64 29.028 -37.732 -11.363 526 2HB GLU 64 HB2 GLU 64 28.791 -36.873 -9.859 527 1HG GLU 64 HG1 GLU 64 27.173 -38.400 -9.054 528 2HG GLU 64 HG2 GLU 64 26.811 -39.034 -10.645 529 H GLN 65 HN GLN 65 25.287 -37.981 -12.008 530 HA GLN 65 HA GLN 65 25.984 -38.012 -14.894 531 1HB GLN 65 HB1 GLN 65 25.177 -40.336 -13.119 532 2HB GLN 65 HB2 GLN 65 25.187 -40.428 -14.867 533 1HG GLN 65 HG1 GLN 65 27.615 -40.093 -14.935 534 2HG GLN 65 HG2 GLN 65 27.675 -39.852 -13.198 535 1HE2 GLN 65 HE21 GLN 65 27.882 -43.315 -12.628 536 2HE2 GLN 65 HE22 GLN 65 28.081 -41.723 -11.940 Start of MODEL 26 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 21.790 -41.683 1.103 2 2H MET 1 HT1 MET 1 23.186 -40.718 1.155 3 3H MET 1 HT3 MET 1 23.213 -42.175 0.320 4 HA MET 1 HA MET 1 24.252 -42.650 2.318 5 1HB MET 1 HB1 MET 1 23.521 -41.746 4.480 6 2HB MET 1 HB2 MET 1 23.842 -40.490 3.316 7 1HG MET 1 HG1 MET 1 21.390 -40.212 2.943 8 2HG MET 1 HG2 MET 1 21.075 -41.469 4.119 9 1HE MET 1 HE1 MET 1 22.713 -37.885 3.617 10 2HE MET 1 HE2 MET 1 20.935 -37.839 3.623 11 3HE MET 1 HE3 MET 1 21.848 -37.093 4.922 12 H LEU 2 HN LEU 2 23.621 -43.970 4.293 13 HA LEU 2 HA LEU 2 22.768 -45.775 5.296 14 1HB LEU 2 HB1 LEU 2 20.175 -44.664 4.260 15 2HB LEU 2 HB2 LEU 2 20.275 -45.986 5.389 16 HG LEU 2 HG LEU 2 21.421 -43.240 5.969 17 1HD1 LEU 2 HD11 LEU 2 18.977 -43.108 5.661 18 2HD1 LEU 2 HD12 LEU 2 18.750 -44.431 6.796 19 3HD1 LEU 2 HD13 LEU 2 19.402 -42.893 7.355 20 1HD2 LEU 2 HD21 LEU 2 20.766 -45.561 7.826 21 2HD2 LEU 2 HD22 LEU 2 22.390 -45.045 7.383 22 3HD2 LEU 2 HD23 LEU 2 21.361 -43.982 8.324 23 H GLN 3 HN GLN 3 24.054 -46.611 3.301 24 HA GLN 3 HA GLN 3 22.982 -48.095 1.237 25 1HB GLN 3 HB1 GLN 3 25.545 -48.311 2.822 26 2HB GLN 3 HB2 GLN 3 25.197 -49.494 1.587 27 1HG GLN 3 HG1 GLN 3 25.316 -46.500 1.056 28 2HG GLN 3 HG2 GLN 3 26.657 -47.600 0.818 29 1HE2 GLN 3 HE21 GLN 3 24.544 -49.079 -1.968 30 2HE2 GLN 3 HE22 GLN 3 24.992 -49.841 -0.469 31 H LYS 4 HN LYS 4 23.815 -49.405 4.424 32 HA LYS 4 HA LYS 4 23.091 -52.080 4.101 33 1HB LYS 4 HB1 LYS 4 24.387 -50.943 5.951 34 2HB LYS 4 HB2 LYS 4 22.872 -50.390 6.615 35 1HG LYS 4 HG1 LYS 4 23.291 -53.340 6.214 36 2HG LYS 4 HG2 LYS 4 24.126 -52.541 7.526 37 1HD LYS 4 HD1 LYS 4 21.877 -51.731 8.366 38 2HD LYS 4 HD2 LYS 4 21.123 -52.736 7.134 39 1HE LYS 4 HE1 LYS 4 22.236 -54.732 8.083 40 2HE LYS 4 HE2 LYS 4 22.948 -53.724 9.344 41 1HZ LYS 4 HZ2 LYS 4 20.673 -53.042 9.958 42 2HZ LYS 4 HZ3 LYS 4 19.981 -54.115 8.816 43 3HZ LYS 4 HZ1 LYS 4 20.890 -54.709 10.132 44 H LYS 5 HN LYS 5 21.050 -49.338 4.933 45 HA LYS 5 HA LYS 5 18.607 -50.736 5.356 46 1HB LYS 5 HB1 LYS 5 19.280 -47.873 4.683 47 2HB LYS 5 HB2 LYS 5 17.631 -48.409 4.892 48 1HG LYS 5 HG1 LYS 5 19.686 -48.893 7.056 49 2HG LYS 5 HG2 LYS 5 18.874 -47.352 6.914 50 1HD LYS 5 HD1 LYS 5 17.174 -49.829 7.006 51 2HD LYS 5 HD2 LYS 5 17.944 -49.291 8.479 52 1HE LYS 5 HE1 LYS 5 15.824 -48.322 8.532 53 2HE LYS 5 HE2 LYS 5 16.897 -47.020 8.069 54 1HZ LYS 5 HZ3 LYS 5 15.240 -48.596 6.076 55 2HZ LYS 5 HZ1 LYS 5 14.889 -47.081 6.748 56 3HZ LYS 5 HZ2 LYS 5 16.173 -47.192 5.728 57 H ILE 6 HN ILE 6 19.725 -48.967 2.367 58 HA ILE 6 HA ILE 6 17.539 -49.927 0.775 59 HB ILE 6 HB ILE 6 20.288 -49.295 -0.301 60 1HG1 ILE 6 HG11 ILE 6 18.789 -47.283 -1.244 61 2HG1 ILE 6 HG12 ILE 6 17.890 -47.614 0.211 62 1HG2 ILE 6 HG22 ILE 6 17.688 -49.706 -1.892 63 2HG2 ILE 6 HG23 ILE 6 19.177 -49.058 -2.545 64 3HG2 ILE 6 HG21 ILE 6 19.121 -50.705 -1.966 65 1HD1 ILE 6 HD13 ILE 6 20.869 -47.017 0.095 66 2HD1 ILE 6 HD11 ILE 6 19.626 -45.864 0.550 67 3HD1 ILE 6 HD12 ILE 6 19.948 -47.255 1.570 68 H GLU 7 HN GLU 7 20.766 -51.296 1.322 69 HA GLU 7 HA GLU 7 20.497 -53.577 -0.293 70 1HB GLU 7 HB1 GLU 7 22.245 -52.995 2.081 71 2HB GLU 7 HB2 GLU 7 22.317 -54.535 1.239 72 1HG GLU 7 HG1 GLU 7 23.023 -53.508 -0.823 73 2HG GLU 7 HG2 GLU 7 22.591 -51.902 -0.269 74 H GLU 8 HN GLU 8 19.652 -53.514 3.333 75 HA GLU 8 HA GLU 8 18.555 -56.153 2.797 76 1HB GLU 8 HB1 GLU 8 18.022 -56.403 5.071 77 2HB GLU 8 HB2 GLU 8 19.607 -55.670 4.966 78 1HG GLU 8 HG1 GLU 8 18.835 -53.566 5.788 79 2HG GLU 8 HG2 GLU 8 17.146 -53.947 5.503 80 H GLU 9 HN GLU 9 16.973 -52.939 2.836 81 HA GLU 9 HA GLU 9 14.306 -54.083 2.977 82 1HB GLU 9 HB1 GLU 9 15.130 -51.311 2.180 83 2HB GLU 9 HB2 GLU 9 13.476 -51.874 2.414 84 1HG GLU 9 HG1 GLU 9 14.474 -52.666 4.810 85 2HG GLU 9 HG2 GLU 9 15.668 -51.437 4.456 86 H ALA 10 HN ALA 10 16.197 -52.981 0.100 87 HA ALA 10 HA ALA 10 14.737 -54.864 -1.554 88 1HB ALA 10 HB2 ALA 10 17.535 -53.780 -1.822 89 2HB ALA 10 HB3 ALA 10 16.670 -54.702 -3.059 90 3HB ALA 10 HB1 ALA 10 16.058 -53.133 -2.548 91 H ALA 11 HN ALA 11 18.051 -55.823 -0.285 92 HA ALA 11 HA ALA 11 17.829 -58.071 -1.960 93 1HB ALA 11 HB3 ALA 11 19.637 -57.520 0.383 94 2HB ALA 11 HB1 ALA 11 19.906 -58.832 -0.792 95 3HB ALA 11 HB2 ALA 11 19.954 -57.146 -1.312 96 H LYS 12 HN LYS 12 16.675 -57.935 1.320 97 HA LYS 12 HA LYS 12 16.634 -60.769 1.827 98 1HB LYS 12 HB1 LYS 12 16.434 -58.665 3.407 99 2HB LYS 12 HB2 LYS 12 14.729 -58.782 3.063 100 1HG LYS 12 HG1 LYS 12 14.751 -61.141 3.935 101 2HG LYS 12 HG2 LYS 12 16.442 -60.935 4.355 102 1HD LYS 12 HD1 LYS 12 14.181 -59.228 5.439 103 2HD LYS 12 HD2 LYS 12 14.858 -60.602 6.274 104 1HE LYS 12 HE1 LYS 12 16.592 -59.434 7.089 105 2HE LYS 12 HE2 LYS 12 16.965 -58.683 5.551 106 1HZ LYS 12 HZ1 LYS 12 14.966 -57.187 5.884 107 2HZ LYS 12 HZ2 LYS 12 14.841 -57.866 7.455 108 3HZ LYS 12 HZ3 LYS 12 16.214 -56.923 7.068 109 OH TYR 13 OH TYR 13 17.258 -57.909 -5.586 110 H TYR 13 HN TYR 13 14.529 -58.559 0.159 111 HA TYR 13 HA TYR 13 12.734 -58.706 -1.158 112 1HB TYR 13 HB1 TYR 13 13.999 -61.370 -1.731 113 2HB TYR 13 HB2 TYR 13 12.698 -60.705 -2.685 114 HD1 TYR 13 HD1 TYR 13 14.198 -57.636 -2.366 115 HD2 TYR 13 HD2 TYR 13 15.319 -61.528 -3.758 116 HE1 TYR 13 HE1 TYR 13 15.697 -56.657 -3.966 117 HE2 TYR 13 HE2 TYR 13 16.898 -60.489 -5.306 118 HH TYR 13 HH TYR 13 17.732 -58.575 -6.085 119 H LYS 14 HN LYS 14 12.360 -60.584 1.541 120 HA LYS 14 HA LYS 14 10.007 -62.057 0.997 121 1HB LYS 14 HB1 LYS 14 10.711 -60.762 3.664 122 2HB LYS 14 HB2 LYS 14 9.708 -62.172 3.402 123 1HG LYS 14 HG1 LYS 14 12.698 -62.053 2.877 124 2HG LYS 14 HG2 LYS 14 11.952 -62.717 4.306 125 1HD LYS 14 HD1 LYS 14 11.092 -64.585 3.169 126 2HD LYS 14 HD2 LYS 14 11.280 -63.863 1.587 127 1HE LYS 14 HE1 LYS 14 13.670 -64.452 3.342 128 2HE LYS 14 HE2 LYS 14 12.965 -65.678 2.297 129 1HZ LYS 14 HZ3 LYS 14 13.940 -62.962 1.335 130 2HZ LYS 14 HZ1 LYS 14 14.738 -64.456 1.163 131 3HZ LYS 14 HZ2 LYS 14 13.246 -64.204 0.417 132 OH TYR 15 OH TYR 15 14.292 -56.520 4.844 133 H TYR 15 HN TYR 15 10.348 -58.872 2.419 134 HA TYR 15 HA TYR 15 7.636 -58.055 1.825 135 1HB TYR 15 HB1 TYR 15 8.627 -55.779 2.624 136 2HB TYR 15 HB2 TYR 15 8.282 -57.057 3.762 137 HD1 TYR 15 HD1 TYR 15 9.893 -57.191 5.448 138 HD2 TYR 15 HD2 TYR 15 11.246 -56.230 1.541 139 HE1 TYR 15 HE1 TYR 15 12.207 -57.064 6.275 140 HE2 TYR 15 HE2 TYR 15 13.549 -56.191 2.353 141 HH TYR 15 HH TYR 15 14.901 -56.309 4.090 142 H ALA 16 HN ALA 16 8.148 -58.812 -0.383 143 HA ALA 16 HA ALA 16 9.752 -57.583 -2.274 144 1HB ALA 16 HB1 ALA 16 7.135 -59.075 -2.637 145 2HB ALA 16 HB2 ALA 16 8.302 -58.752 -3.918 146 3HB ALA 16 HB3 ALA 16 8.752 -59.772 -2.556 147 H MET 17 HN MET 17 6.367 -56.734 -1.596 148 HA MET 17 HA MET 17 6.183 -54.710 -3.585 149 1HB MET 17 HB1 MET 17 4.104 -54.065 -2.625 150 2HB MET 17 HB2 MET 17 4.200 -55.798 -2.742 151 1HG MET 17 HG1 MET 17 4.556 -54.242 -0.161 152 2HG MET 17 HG2 MET 17 3.050 -54.929 -0.694 153 1HE MET 17 HE3 MET 17 2.929 -57.693 -1.297 154 2HE MET 17 HE1 MET 17 3.184 -58.575 0.197 155 3HE MET 17 HE2 MET 17 2.184 -57.132 0.215 156 H LEU 18 HN LEU 18 7.552 -54.634 -0.400 157 HA LEU 18 HA LEU 18 7.553 -51.714 -0.250 158 1HB LEU 18 HB1 LEU 18 8.729 -53.702 1.706 159 2HB LEU 18 HB2 LEU 18 8.469 -51.988 1.975 160 HG LEU 18 HG LEU 18 6.274 -54.048 1.541 161 1HD1 LEU 18 HD12 LEU 18 7.325 -54.303 3.732 162 2HD1 LEU 18 HD13 LEU 18 7.092 -52.590 4.051 163 3HD1 LEU 18 HD11 LEU 18 5.700 -53.655 3.895 164 1HD2 LEU 18 HD22 LEU 18 6.044 -51.121 2.262 165 2HD2 LEU 18 HD23 LEU 18 5.568 -51.822 0.722 166 3HD2 LEU 18 HD21 LEU 18 4.700 -52.259 2.189 167 H LYS 19 HN LYS 19 10.167 -54.258 -0.425 168 HA LYS 19 HA LYS 19 12.106 -52.667 -1.489 169 1HB LYS 19 HB1 LYS 19 12.548 -54.995 -1.299 170 2HB LYS 19 HB2 LYS 19 11.046 -55.467 -2.032 171 1HG LYS 19 HG1 LYS 19 12.888 -54.248 -4.018 172 2HG LYS 19 HG2 LYS 19 13.567 -55.626 -3.207 173 1HD LYS 19 HD1 LYS 19 11.752 -57.058 -3.836 174 2HD LYS 19 HD2 LYS 19 10.820 -55.710 -4.464 175 1HE LYS 19 HE1 LYS 19 12.447 -55.374 -6.250 176 2HE LYS 19 HE2 LYS 19 13.470 -56.656 -5.600 177 1HZ LYS 19 HZ3 LYS 19 10.653 -56.978 -6.469 178 2HZ LYS 19 HZ1 LYS 19 12.004 -57.485 -7.363 179 3HZ LYS 19 HZ2 LYS 19 11.652 -58.203 -5.871 180 H LYS 20 HN LYS 20 9.318 -53.880 -3.537 181 HA LYS 20 HA LYS 20 10.098 -52.418 -5.830 182 1HB LYS 20 HB1 LYS 20 8.404 -54.301 -5.620 183 2HB LYS 20 HB2 LYS 20 7.272 -53.143 -4.984 184 1HG LYS 20 HG1 LYS 20 8.216 -52.029 -7.441 185 2HG LYS 20 HG2 LYS 20 8.009 -53.732 -7.745 186 1HD LYS 20 HD1 LYS 20 5.984 -52.547 -8.353 187 2HD LYS 20 HD2 LYS 20 5.665 -53.621 -7.013 188 1HE LYS 20 HE1 LYS 20 4.503 -51.446 -6.797 189 2HE LYS 20 HE2 LYS 20 5.588 -51.744 -5.449 190 1HZ LYS 20 HZ1 LYS 20 7.291 -50.385 -6.574 191 2HZ LYS 20 HZ2 LYS 20 6.220 -50.066 -7.841 192 3HZ LYS 20 HZ3 LYS 20 5.955 -49.459 -6.290 193 H CYS 21 HN CYS 21 8.165 -51.259 -2.977 194 HA CYS 21 HA CYS 21 7.811 -48.621 -3.865 195 1HB CYS 21 HB1 CYS 21 6.871 -49.869 -1.855 196 2HB CYS 21 HB2 CYS 21 8.355 -49.455 -1.020 197 H CYS 22 HN CYS 22 10.679 -49.871 -1.994 198 HA CYS 22 HA CYS 22 12.598 -47.825 -2.397 199 1HB CYS 22 HB1 CYS 22 12.805 -50.271 -1.480 200 2HB CYS 22 HB2 CYS 22 13.448 -50.513 -3.057 201 OH TYR 23 OH TYR 23 16.802 -53.713 -5.561 202 H TYR 23 HN TYR 23 11.693 -50.145 -4.814 203 HA TYR 23 HA TYR 23 13.252 -48.717 -6.716 204 1HB TYR 23 HB1 TYR 23 11.431 -51.040 -7.025 205 2HB TYR 23 HB2 TYR 23 12.553 -50.447 -8.233 206 HD1 TYR 23 HD1 TYR 23 14.337 -50.051 -4.865 207 HD2 TYR 23 HD2 TYR 23 12.894 -53.020 -7.641 208 HE1 TYR 23 HE1 TYR 23 16.291 -51.362 -4.537 209 HE2 TYR 23 HE2 TYR 23 14.916 -54.383 -7.156 210 HH TYR 23 HH TYR 23 17.392 -53.238 -4.973 211 H ASP 24 HN ASP 24 9.746 -48.421 -6.115 212 HA ASP 24 HA ASP 24 9.255 -46.349 -7.966 213 1HB ASP 24 HB1 ASP 24 8.293 -46.436 -5.085 214 2HB ASP 24 HB2 ASP 24 7.759 -45.308 -6.308 215 H GLY 25 HN GLY 25 10.813 -45.959 -4.763 216 1HA GLY 25 HA1 GLY 25 11.580 -43.256 -5.030 217 2HA GLY 25 HA2 GLY 25 12.420 -44.429 -4.047 218 H ALA 26 HN ALA 26 13.501 -46.102 -5.895 219 HA ALA 26 HA ALA 26 15.724 -44.774 -7.002 220 1HB ALA 26 HB3 ALA 26 15.767 -47.153 -6.463 221 2HB ALA 26 HB1 ALA 26 14.632 -47.487 -7.772 222 3HB ALA 26 HB2 ALA 26 16.243 -46.886 -8.136 223 OH TYR 27 OH TYR 27 13.266 -49.634 -14.216 224 H TYR 27 HN TYR 27 12.746 -45.820 -8.804 225 HA TYR 27 HA TYR 27 13.565 -44.518 -11.203 226 1HB TYR 27 HB1 TYR 27 10.953 -45.605 -10.213 227 2HB TYR 27 HB2 TYR 27 10.962 -44.589 -11.638 228 HD1 TYR 27 HD1 TYR 27 12.091 -45.337 -13.707 229 HD2 TYR 27 HD2 TYR 27 12.058 -47.827 -10.266 230 HE1 TYR 27 HE1 TYR 27 12.835 -47.253 -15.074 231 HE2 TYR 27 HE2 TYR 27 12.799 -49.730 -11.639 232 HH TYR 27 HH TYR 27 13.361 -50.421 -13.679 233 NH1 ARG 28 NH1 ARG 28 14.994 -34.431 -7.874 234 NH2 ARG 28 NH2 ARG 28 16.329 -35.692 -9.067 235 H ARG 28 HN ARG 28 14.400 -42.581 -10.020 236 HA ARG 28 HA ARG 28 12.404 -40.401 -10.090 237 1HB ARG 28 HB1 ARG 28 14.139 -40.554 -8.280 238 2HB ARG 28 HB2 ARG 28 15.361 -40.243 -9.502 239 1HG ARG 28 HG1 ARG 28 14.394 -38.029 -9.964 240 2HG ARG 28 HG2 ARG 28 13.073 -38.347 -8.849 241 1HD ARG 28 HD1 ARG 28 14.692 -38.530 -6.994 242 2HD ARG 28 HD2 ARG 28 16.010 -38.174 -8.096 243 HE ARG 28 HE ARG 28 13.815 -36.264 -7.347 244 1HH1 ARG 28 HH12 ARG 28 14.220 -34.392 -7.248 245 2HH1 ARG 28 HH11 ARG 28 15.434 -33.603 -8.235 246 1HH2 ARG 28 HH22 ARG 28 16.578 -36.585 -9.426 247 2HH2 ARG 28 HH21 ARG 28 16.783 -34.859 -9.366 248 H ASN 29 HN ASN 29 12.131 -39.160 -11.915 249 HA ASN 29 HA ASN 29 13.535 -40.292 -14.274 250 1HB ASN 29 HB1 ASN 29 10.647 -39.300 -14.206 251 2HB ASN 29 HB2 ASN 29 11.440 -40.234 -15.462 252 1HD2 ASN 29 HD21 ASN 29 10.198 -42.132 -12.091 253 2HD2 ASN 29 HD22 ASN 29 10.020 -40.406 -12.214 254 H ASP 30 HN ASP 30 11.384 -37.475 -13.911 255 HA ASP 30 HA ASP 30 13.025 -35.854 -15.641 256 1HB ASP 30 HB1 ASP 30 11.238 -34.094 -15.152 257 2HB ASP 30 HB2 ASP 30 10.705 -35.574 -15.935 258 H ASP 31 HN ASP 31 11.852 -34.442 -12.574 259 HA ASP 31 HA ASP 31 14.229 -34.983 -11.105 260 1HB ASP 31 HB1 ASP 31 14.799 -32.856 -12.645 261 2HB ASP 31 HB2 ASP 31 13.878 -31.993 -11.416 262 H GLU 32 HN GLU 32 12.069 -35.896 -10.320 263 HA GLU 32 HA GLU 32 10.160 -34.271 -9.021 264 1HB GLU 32 HB1 GLU 32 10.744 -37.189 -8.467 265 2HB GLU 32 HB2 GLU 32 9.293 -36.324 -8.030 266 1HG GLU 32 HG1 GLU 32 8.441 -37.256 -9.949 267 2HG GLU 32 HG2 GLU 32 9.226 -35.904 -10.733 268 H THR 33 HN THR 33 9.903 -33.474 -6.963 269 HA THR 33 HA THR 33 11.967 -33.709 -4.996 270 HB THR 33 HB THR 33 10.233 -32.430 -3.573 271 HG1 THR 33 HG1 THR 33 8.547 -31.471 -4.751 272 1HG2 THR 33 HG22 THR 33 12.117 -31.289 -4.704 273 2HG2 THR 33 HG23 THR 33 11.145 -31.191 -6.177 274 3HG2 THR 33 HG21 THR 33 10.640 -30.324 -4.731 275 H CYS 34 HN CYS 34 12.206 -35.292 -3.629 276 HA CYS 34 HA CYS 34 10.805 -37.684 -3.858 277 1HB CYS 34 HB1 CYS 34 12.814 -36.736 -1.800 278 2HB CYS 34 HB2 CYS 34 12.195 -38.370 -1.829 279 H GLU 35 HN GLU 35 10.747 -35.438 -1.116 280 HA GLU 35 HA GLU 35 8.883 -36.999 0.396 281 1HB GLU 35 HB1 GLU 35 8.961 -35.261 2.027 282 2HB GLU 35 HB2 GLU 35 10.571 -35.416 1.382 283 1HG GLU 35 HG1 GLU 35 8.614 -33.124 0.904 284 2HG GLU 35 HG2 GLU 35 10.145 -33.060 1.734 285 H GLU 36 HN GLU 36 8.272 -34.342 -1.928 286 HA GLU 36 HA GLU 36 5.476 -34.139 -1.278 287 1HB GLU 36 HB1 GLU 36 7.062 -33.313 -3.728 288 2HB GLU 36 HB2 GLU 36 5.332 -33.054 -3.585 289 1HG GLU 36 HG1 GLU 36 5.739 -31.671 -1.514 290 2HG GLU 36 HG2 GLU 36 7.470 -31.897 -1.737 291 NH1 ARG 37 NH1 ARG 37 10.958 -41.050 -6.993 292 NH2 ARG 37 NH2 ARG 37 9.722 -40.957 -8.785 293 H ARG 37 HN ARG 37 7.262 -35.805 -3.841 294 HA ARG 37 HA ARG 37 5.151 -37.278 -4.970 295 1HB ARG 37 HB1 ARG 37 7.416 -37.014 -5.964 296 2HB ARG 37 HB2 ARG 37 8.074 -38.065 -4.727 297 1HG ARG 37 HG1 ARG 37 6.874 -39.957 -5.550 298 2HG ARG 37 HG2 ARG 37 5.844 -38.979 -6.571 299 1HD ARG 37 HD1 ARG 37 7.319 -40.115 -7.985 300 2HD ARG 37 HD2 ARG 37 7.915 -38.461 -7.939 301 HE ARG 37 HE ARG 37 9.417 -39.604 -6.001 302 1HH1 ARG 37 HH12 ARG 37 11.174 -40.789 -6.065 303 2HH1 ARG 37 HH11 ARG 37 11.543 -41.666 -7.509 304 1HH2 ARG 37 HH22 ARG 37 8.947 -40.589 -9.270 305 2HH2 ARG 37 HH21 ARG 37 10.372 -41.597 -9.245 306 H ALA 38 HN ALA 38 7.394 -38.384 -2.321 307 HA ALA 38 HA ALA 38 5.642 -40.589 -1.757 308 1HB ALA 38 HB2 ALA 38 8.230 -39.720 -0.595 309 2HB ALA 38 HB3 ALA 38 7.319 -41.166 -0.086 310 3HB ALA 38 HB1 ALA 38 7.802 -41.018 -1.772 311 H ALA 39 HN ALA 39 5.491 -37.313 -0.336 312 HA ALA 39 HA ALA 39 3.616 -38.090 1.587 313 1HB ALA 39 HB3 ALA 39 4.327 -35.760 1.288 314 2HB ALA 39 HB1 ALA 39 3.509 -35.689 -0.268 315 3HB ALA 39 HB2 ALA 39 2.568 -35.874 1.212 316 NH1 ARG 40 NH1 ARG 40 1.113 -32.713 -4.481 317 NH2 ARG 40 NH2 ARG 40 2.564 -33.937 -3.411 318 H ARG 40 HN ARG 40 3.105 -37.719 -1.942 319 HA ARG 40 HA ARG 40 0.420 -38.730 -1.896 320 1HB ARG 40 HB1 ARG 40 2.479 -38.560 -4.098 321 2HB ARG 40 HB2 ARG 40 0.813 -39.051 -4.366 322 1HG ARG 40 HG1 ARG 40 -0.051 -36.927 -3.974 323 2HG ARG 40 HG2 ARG 40 1.258 -36.449 -2.918 324 1HD ARG 40 HD1 ARG 40 2.768 -36.261 -4.875 325 2HD ARG 40 HD2 ARG 40 1.447 -36.738 -5.929 326 HE ARG 40 HE ARG 40 0.472 -34.606 -5.615 327 1HH1 ARG 40 HH12 ARG 40 0.401 -32.619 -5.159 328 2HH1 ARG 40 HH11 ARG 40 1.427 -31.948 -3.940 329 1HH2 ARG 40 HH22 ARG 40 3.006 -34.824 -3.242 330 2HH2 ARG 40 HH21 ARG 40 2.814 -33.128 -2.906 331 H ILE 41 HN ILE 41 3.455 -40.608 -2.549 332 HA ILE 41 HA ILE 41 2.145 -43.072 -2.432 333 HB ILE 41 HB ILE 41 5.157 -42.783 -2.138 334 1HG1 ILE 41 HG11 ILE 41 4.479 -43.961 -4.563 335 2HG1 ILE 41 HG12 ILE 41 3.213 -42.735 -4.388 336 1HG2 ILE 41 HG23 ILE 41 3.455 -45.129 -2.574 337 2HG2 ILE 41 HG21 ILE 41 5.252 -44.910 -2.790 338 3HG2 ILE 41 HG22 ILE 41 4.482 -44.797 -1.168 339 1HD1 ILE 41 HD12 ILE 41 6.058 -42.132 -3.814 340 2HD1 ILE 41 HD13 ILE 41 5.386 -41.974 -5.473 341 3HD1 ILE 41 HD11 ILE 41 4.771 -41.002 -4.129 342 H LYS 42 HN LYS 42 0.961 -43.050 -1.077 343 HA LYS 42 HA LYS 42 1.292 -42.861 1.848 344 1HB LYS 42 HB1 LYS 42 -1.068 -42.769 -0.022 345 2HB LYS 42 HB2 LYS 42 -1.352 -43.150 1.659 346 1HG LYS 42 HG1 LYS 42 0.173 -40.665 0.852 347 2HG LYS 42 HG2 LYS 42 -1.577 -40.693 0.917 348 1HD LYS 42 HD1 LYS 42 -1.490 -41.370 3.298 349 2HD LYS 42 HD2 LYS 42 0.258 -41.339 3.258 350 1HE LYS 42 HE1 LYS 42 -1.449 -38.912 2.670 351 2HE LYS 42 HE2 LYS 42 -0.876 -39.319 4.283 352 1HZ LYS 42 HZ1 LYS 42 1.395 -39.349 3.376 353 2HZ LYS 42 HZ2 LYS 42 0.854 -38.815 1.851 354 3HZ LYS 42 HZ3 LYS 42 0.676 -37.822 3.227 355 H ILE 43 HN ILE 43 1.827 -45.468 0.094 356 HA ILE 43 HA ILE 43 -0.203 -47.337 0.798 357 HB ILE 43 HB ILE 43 2.559 -47.781 -0.307 358 1HG1 ILE 43 HG11 ILE 43 1.371 -46.403 -1.852 359 2HG1 ILE 43 HG12 ILE 43 1.554 -48.000 -2.519 360 1HG2 ILE 43 HG21 ILE 43 0.282 -49.766 -0.283 361 2HG2 ILE 43 HG22 ILE 43 1.771 -49.945 -1.207 362 3HG2 ILE 43 HG23 ILE 43 1.824 -49.916 0.545 363 1HD1 ILE 43 HD13 ILE 43 -0.838 -48.490 -2.022 364 2HD1 ILE 43 HD11 ILE 43 -1.025 -46.873 -1.351 365 3HD1 ILE 43 HD12 ILE 43 -0.653 -47.082 -3.054 366 H GLY 44 HN GLY 44 2.952 -46.733 2.361 367 1HA GLY 44 HA1 GLY 44 1.889 -47.639 4.831 368 2HA GLY 44 HA2 GLY 44 2.962 -48.858 4.190 369 HA PRO 45 HA PRO 45 5.373 -45.332 6.665 370 1HB PRO 45 HB1 PRO 45 5.509 -47.695 8.571 371 2HB PRO 45 HB2 PRO 45 5.624 -45.959 8.917 372 1HG PRO 45 HG1 PRO 45 3.305 -47.138 9.318 373 2HG PRO 45 HG2 PRO 45 3.306 -45.605 8.420 374 1HD PRO 45 HD1 PRO 45 3.170 -48.436 7.333 375 2HD PRO 45 HD2 PRO 45 2.185 -47.017 6.911 376 H LYS 46 HN LYS 46 6.048 -48.810 6.548 377 HA LYS 46 HA LYS 46 8.875 -48.547 6.232 378 1HB LYS 46 HB1 LYS 46 7.562 -50.506 7.220 379 2HB LYS 46 HB2 LYS 46 7.237 -50.998 5.568 380 1HG LYS 46 HG1 LYS 46 9.726 -51.052 5.167 381 2HG LYS 46 HG2 LYS 46 9.973 -50.657 6.853 382 1HD LYS 46 HD1 LYS 46 8.808 -52.739 7.515 383 2HD LYS 46 HD2 LYS 46 8.598 -53.156 5.830 384 1HE LYS 46 HE1 LYS 46 11.231 -52.882 7.296 385 2HE LYS 46 HE2 LYS 46 10.466 -54.383 6.794 386 1HZ LYS 46 HZ2 LYS 46 10.535 -53.424 4.475 387 2HZ LYS 46 HZ3 LYS 46 11.607 -52.221 5.050 388 3HZ LYS 46 HZ1 LYS 46 12.022 -53.883 5.118 389 H CYS 47 HN CYS 47 6.249 -48.611 3.940 390 HA CYS 47 HA CYS 47 7.722 -48.926 1.507 391 1HB CYS 47 HB1 CYS 47 5.194 -49.094 1.862 392 2HB CYS 47 HB2 CYS 47 5.167 -47.367 1.982 393 H VAL 48 HN VAL 48 6.346 -45.763 2.843 394 HA VAL 48 HA VAL 48 7.908 -44.116 1.595 395 HB VAL 48 HB VAL 48 7.834 -43.276 4.456 396 1HG1 VAL 48 HG11 VAL 48 8.098 -41.766 2.396 397 2HG1 VAL 48 HG12 VAL 48 6.515 -42.395 1.895 398 3HG1 VAL 48 HG13 VAL 48 6.643 -41.345 3.316 399 1HG2 VAL 48 HG22 VAL 48 5.979 -44.635 4.596 400 2HG2 VAL 48 HG23 VAL 48 5.523 -42.927 4.687 401 3HG2 VAL 48 HG21 VAL 48 5.202 -43.854 3.215 402 H LYS 49 HN LYS 49 9.014 -45.734 4.551 403 HA LYS 49 HA LYS 49 11.605 -44.641 4.718 404 1HB LYS 49 HB1 LYS 49 10.356 -45.972 6.422 405 2HB LYS 49 HB2 LYS 49 10.777 -47.421 5.530 406 1HG LYS 49 HG1 LYS 49 13.068 -47.200 6.001 407 2HG LYS 49 HG2 LYS 49 12.909 -45.531 6.528 408 1HD LYS 49 HD1 LYS 49 13.210 -46.818 8.516 409 2HD LYS 49 HD2 LYS 49 11.533 -46.352 8.474 410 1HE LYS 49 HE1 LYS 49 11.577 -48.578 9.239 411 2HE LYS 49 HE2 LYS 49 10.983 -48.654 7.591 412 1HZ LYS 49 HZ1 LYS 49 13.801 -49.097 8.407 413 2HZ LYS 49 HZ2 LYS 49 12.697 -50.318 8.027 414 3HZ LYS 49 HZ3 LYS 49 13.226 -49.257 6.825 415 H ALA 50 HN ALA 50 10.942 -47.851 3.152 416 HA ALA 50 HA ALA 50 13.416 -48.318 1.802 417 1HB ALA 50 HB3 ALA 50 11.572 -49.920 2.029 418 2HB ALA 50 HB1 ALA 50 10.594 -48.980 0.923 419 3HB ALA 50 HB2 ALA 50 12.050 -49.790 0.355 420 H PHE 51 HN PHE 51 10.534 -46.489 0.628 421 HA PHE 51 HA PHE 51 11.454 -45.521 -1.816 422 1HB PHE 51 HB1 PHE 51 9.142 -45.363 -0.625 423 2HB PHE 51 HB2 PHE 51 9.753 -43.921 0.135 424 HD1 PHE 51 HD1 PHE 51 10.695 -42.036 -1.648 425 HD2 PHE 51 HD2 PHE 51 7.767 -44.993 -2.502 426 HE1 PHE 51 HE1 PHE 51 10.201 -40.954 -3.776 427 HE2 PHE 51 HE2 PHE 51 7.218 -43.925 -4.494 428 HZ PHE 51 HZ PHE 51 8.509 -41.927 -5.290 429 H LYS 52 HN LYS 52 11.630 -43.770 1.312 430 HA LYS 52 HA LYS 52 12.983 -41.487 0.504 431 1HB LYS 52 HB1 LYS 52 11.782 -41.900 2.635 432 2HB LYS 52 HB2 LYS 52 13.005 -43.039 3.119 433 1HG LYS 52 HG1 LYS 52 14.643 -41.131 3.300 434 2HG LYS 52 HG2 LYS 52 13.315 -40.026 2.953 435 1HD LYS 52 HD1 LYS 52 12.048 -40.945 4.873 436 2HD LYS 52 HD2 LYS 52 13.336 -42.075 5.207 437 1HE LYS 52 HE1 LYS 52 13.515 -39.072 5.469 438 2HE LYS 52 HE2 LYS 52 13.302 -40.215 6.789 439 1HZ LYS 52 HZ1 LYS 52 15.420 -41.286 5.739 440 2HZ LYS 52 HZ2 LYS 52 15.716 -39.712 5.082 441 3HZ LYS 52 HZ3 LYS 52 15.584 -39.949 6.767 442 H ASP 53 HN ASP 53 14.412 -44.516 1.821 443 HA ASP 53 HA ASP 53 17.103 -43.567 1.659 444 1HB ASP 53 HB1 ASP 53 15.990 -46.363 1.944 445 2HB ASP 53 HB2 ASP 53 17.692 -45.978 2.048 446 H CYS 54 HN CYS 54 15.362 -45.788 -0.590 447 HA CYS 54 HA CYS 54 17.300 -45.756 -2.628 448 1HB CYS 54 HB1 CYS 54 14.393 -46.311 -2.473 449 2HB CYS 54 HB2 CYS 54 15.061 -46.053 -4.057 450 H CYS 55 HN CYS 55 14.694 -43.308 -2.104 451 HA CYS 55 HA CYS 55 15.292 -41.770 -4.383 452 1HB CYS 55 HB1 CYS 55 13.376 -41.652 -2.474 453 2HB CYS 55 HB2 CYS 55 14.363 -40.304 -1.965 454 OH TYR 56 OH TYR 56 16.428 -38.893 4.225 455 H TYR 56 HN TYR 56 16.803 -41.533 -1.103 456 HA TYR 56 HA TYR 56 18.753 -39.621 -1.765 457 1HB TYR 56 HB1 TYR 56 19.221 -42.116 -0.110 458 2HB TYR 56 HB2 TYR 56 20.271 -40.713 -0.158 459 HD1 TYR 56 HD1 TYR 56 17.950 -38.555 0.016 460 HD2 TYR 56 HD2 TYR 56 18.833 -42.091 2.218 461 HE1 TYR 56 HE1 TYR 56 16.750 -37.666 1.936 462 HE2 TYR 56 HE2 TYR 56 17.604 -41.191 4.137 463 HH TYR 56 HH TYR 56 16.138 -37.996 4.012 464 H ILE 57 HN ILE 57 19.074 -43.183 -2.269 465 HA ILE 57 HA ILE 57 21.476 -43.006 -3.764 466 HB ILE 57 HB ILE 57 19.307 -45.076 -4.063 467 1HG1 ILE 57 HG11 ILE 57 19.934 -45.167 -1.844 468 2HG1 ILE 57 HG12 ILE 57 20.817 -46.472 -2.598 469 1HG2 ILE 57 HG23 ILE 57 22.204 -45.329 -4.927 470 2HG2 ILE 57 HG21 ILE 57 21.040 -46.648 -4.875 471 3HG2 ILE 57 HG22 ILE 57 20.800 -45.313 -5.985 472 1HD1 ILE 57 HD11 ILE 57 22.872 -45.030 -2.594 473 2HD1 ILE 57 HD12 ILE 57 21.934 -43.787 -1.762 474 3HD1 ILE 57 HD13 ILE 57 22.243 -45.328 -0.974 475 H ALA 58 HN ALA 58 18.245 -42.904 -5.020 476 HA ALA 58 HA ALA 58 18.733 -42.470 -7.761 477 1HB ALA 58 HB2 ALA 58 16.481 -42.741 -6.846 478 2HB ALA 58 HB3 ALA 58 16.578 -41.151 -6.103 479 3HB ALA 58 HB1 ALA 58 16.598 -41.312 -7.856 480 H ASN 59 HN ASN 59 18.463 -39.859 -5.297 481 HA ASN 59 HA ASN 59 19.448 -37.780 -6.956 482 1HB ASN 59 HB1 ASN 59 19.330 -38.090 -3.949 483 2HB ASN 59 HB2 ASN 59 20.026 -36.663 -4.704 484 1HD2 ASN 59 HD21 ASN 59 16.039 -37.223 -5.268 485 2HD2 ASN 59 HD22 ASN 59 16.916 -38.515 -4.487 486 H GLN 60 HN GLN 60 21.333 -39.943 -4.769 487 HA GLN 60 HA GLN 60 23.857 -38.868 -5.379 488 1HB GLN 60 HB1 GLN 60 23.098 -41.677 -4.606 489 2HB GLN 60 HB2 GLN 60 24.759 -41.172 -4.856 490 1HG GLN 60 HG1 GLN 60 24.373 -39.367 -3.079 491 2HG GLN 60 HG2 GLN 60 22.845 -40.168 -2.725 492 1HE2 GLN 60 HE21 GLN 60 26.270 -42.204 -1.834 493 2HE2 GLN 60 HE22 GLN 60 26.313 -41.101 -3.185 494 H VAL 61 HN VAL 61 22.319 -41.668 -7.157 495 HA VAL 61 HA VAL 61 24.507 -41.775 -8.989 496 HB VAL 61 HB VAL 61 23.243 -43.259 -10.394 497 1HG1 VAL 61 HG12 VAL 61 24.460 -44.190 -8.508 498 2HG1 VAL 61 HG13 VAL 61 23.072 -43.947 -7.451 499 3HG1 VAL 61 HG11 VAL 61 22.982 -45.105 -8.774 500 1HG2 VAL 61 HG21 VAL 61 20.952 -42.411 -10.210 501 2HG2 VAL 61 HG22 VAL 61 21.021 -44.109 -9.762 502 3HG2 VAL 61 HG23 VAL 61 20.911 -42.876 -8.511 503 NH1 ARG 62 NH1 ARG 62 16.554 -35.823 -12.510 504 NH2 ARG 62 NH2 ARG 62 16.180 -37.937 -12.883 505 H ARG 62 HN ARG 62 21.482 -39.898 -9.231 506 HA ARG 62 HA ARG 62 22.077 -38.851 -11.812 507 1HB ARG 62 HB1 ARG 62 20.366 -37.840 -9.542 508 2HB ARG 62 HB2 ARG 62 20.507 -36.987 -11.074 509 1HG ARG 62 HG1 ARG 62 19.535 -38.779 -12.308 510 2HG ARG 62 HG2 ARG 62 19.723 -39.915 -10.983 511 1HD ARG 62 HD1 ARG 62 17.411 -39.363 -11.109 512 2HD ARG 62 HD2 ARG 62 18.064 -38.590 -9.681 513 HE ARG 62 HE ARG 62 18.149 -36.456 -11.009 514 1HH1 ARG 62 HH12 ARG 62 16.971 -35.061 -12.004 515 2HH1 ARG 62 HH11 ARG 62 15.880 -35.614 -13.239 516 1HH2 ARG 62 HH22 ARG 62 16.291 -38.895 -12.643 517 2HH2 ARG 62 HH21 ARG 62 15.559 -37.688 -13.635 518 H ALA 63 HN ALA 63 23.139 -37.664 -8.587 519 HA ALA 63 HA ALA 63 24.642 -35.494 -9.761 520 1HB ALA 63 HB3 ALA 63 23.724 -35.304 -7.509 521 2HB ALA 63 HB1 ALA 63 24.680 -36.676 -6.965 522 3HB ALA 63 HB2 ALA 63 25.480 -35.178 -7.445 523 H GLU 64 HN GLU 64 25.690 -38.664 -8.341 524 HA GLU 64 HA GLU 64 28.480 -38.109 -8.980 525 1HB GLU 64 HB1 GLU 64 27.121 -40.544 -7.802 526 2HB GLU 64 HB2 GLU 64 28.856 -40.372 -7.985 527 1HG GLU 64 HG1 GLU 64 28.841 -38.423 -6.426 528 2HG GLU 64 HG2 GLU 64 27.095 -38.555 -6.267 529 H GLN 65 HN GLN 65 27.609 -37.840 -11.303 530 HA GLN 65 HA GLN 65 27.859 -40.398 -12.779 531 1HB GLN 65 HB1 GLN 65 25.669 -39.382 -13.006 532 2HB GLN 65 HB2 GLN 65 26.371 -37.857 -13.482 533 1HG GLN 65 HG1 GLN 65 25.379 -39.003 -15.412 534 2HG GLN 65 HG2 GLN 65 27.102 -38.833 -15.651 535 1HE2 GLN 65 HE21 GLN 65 27.598 -42.385 -15.567 536 2HE2 GLN 65 HE22 GLN 65 28.440 -40.888 -15.275 Start of MODEL 27 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 24.715 -43.002 4.901 2 2H MET 1 HT3 MET 1 23.581 -42.215 3.902 3 3H MET 1 HT2 MET 1 24.682 -41.320 4.835 4 HA MET 1 HA MET 1 23.776 -42.131 6.876 5 1HB MET 1 HB1 MET 1 21.836 -40.748 5.010 6 2HB MET 1 HB2 MET 1 21.592 -40.882 6.735 7 1HG MET 1 HG1 MET 1 23.920 -39.441 5.418 8 2HG MET 1 HG2 MET 1 22.482 -38.677 6.043 9 1HE MET 1 HE3 MET 1 21.748 -39.070 8.747 10 2HE MET 1 HE1 MET 1 23.002 -38.353 9.742 11 3HE MET 1 HE2 MET 1 22.486 -37.520 8.286 12 H LEU 2 HN LEU 2 21.012 -42.837 4.637 13 HA LEU 2 HA LEU 2 19.975 -44.622 6.664 14 1HB LEU 2 HB1 LEU 2 18.893 -43.627 4.012 15 2HB LEU 2 HB2 LEU 2 17.986 -44.637 5.108 16 HG LEU 2 HG LEU 2 19.080 -41.947 5.986 17 1HD1 LEU 2 HD11 LEU 2 17.643 -41.578 4.017 18 2HD1 LEU 2 HD12 LEU 2 16.361 -42.531 4.762 19 3HD1 LEU 2 HD13 LEU 2 16.860 -41.001 5.480 20 1HD2 LEU 2 HD22 LEU 2 16.763 -43.637 6.998 21 2HD2 LEU 2 HD23 LEU 2 18.320 -43.464 7.799 22 3HD2 LEU 2 HD21 LEU 2 17.256 -42.076 7.646 23 H GLN 3 HN GLN 3 22.270 -45.765 5.495 24 HA GLN 3 HA GLN 3 21.793 -47.331 3.167 25 1HB GLN 3 HB1 GLN 3 24.029 -47.548 5.199 26 2HB GLN 3 HB2 GLN 3 23.985 -48.398 3.669 27 1HG GLN 3 HG1 GLN 3 24.165 -45.388 4.061 28 2HG GLN 3 HG2 GLN 3 25.428 -46.445 3.473 29 1HE2 GLN 3 HE21 GLN 3 23.439 -46.748 0.289 30 2HE2 GLN 3 HE22 GLN 3 23.855 -47.954 1.462 31 H LYS 4 HN LYS 4 22.097 -48.481 6.534 32 HA LYS 4 HA LYS 4 21.503 -51.179 6.169 33 1HB LYS 4 HB1 LYS 4 22.282 -50.166 8.279 34 2HB LYS 4 HB2 LYS 4 20.744 -49.351 8.478 35 1HG LYS 4 HG1 LYS 4 19.623 -51.603 8.664 36 2HG LYS 4 HG2 LYS 4 21.199 -52.359 8.527 37 1HD LYS 4 HD1 LYS 4 21.934 -51.239 10.587 38 2HD LYS 4 HD2 LYS 4 20.398 -50.405 10.708 39 1HE LYS 4 HE1 LYS 4 20.665 -53.420 10.758 40 2HE LYS 4 HE2 LYS 4 20.689 -52.425 12.205 41 1HZ LYS 4 HZ2 LYS 4 18.505 -51.523 11.495 42 2HZ LYS 4 HZ3 LYS 4 18.390 -52.645 10.217 43 3HZ LYS 4 HZ1 LYS 4 18.460 -53.177 11.820 44 H LYS 5 HN LYS 5 19.285 -48.474 6.381 45 HA LYS 5 HA LYS 5 16.839 -49.905 6.539 46 1HB LYS 5 HB1 LYS 5 17.575 -47.063 5.874 47 2HB LYS 5 HB2 LYS 5 15.921 -47.599 5.802 48 1HG LYS 5 HG1 LYS 5 16.036 -46.628 7.891 49 2HG LYS 5 HG2 LYS 5 16.200 -48.329 8.257 50 1HD LYS 5 HD1 LYS 5 18.617 -48.070 8.566 51 2HD LYS 5 HD2 LYS 5 18.519 -46.379 8.087 52 1HE LYS 5 HE1 LYS 5 17.039 -45.943 10.038 53 2HE LYS 5 HE2 LYS 5 17.192 -47.633 10.514 54 1HZ LYS 5 HZ3 LYS 5 19.592 -47.334 10.645 55 2HZ LYS 5 HZ1 LYS 5 19.437 -45.716 10.189 56 3HZ LYS 5 HZ2 LYS 5 18.809 -46.238 11.669 57 H ILE 6 HN ILE 6 18.429 -48.388 3.644 58 HA ILE 6 HA ILE 6 16.623 -49.682 1.790 59 HB ILE 6 HB ILE 6 19.470 -48.916 1.127 60 1HG1 ILE 6 HG11 ILE 6 17.931 -47.123 -0.224 61 2HG1 ILE 6 HG12 ILE 6 16.972 -47.349 1.207 62 1HG2 ILE 6 HG21 ILE 6 17.188 -49.622 -0.801 63 2HG2 ILE 6 HG22 ILE 6 18.733 -48.946 -1.262 64 3HG2 ILE 6 HG23 ILE 6 18.660 -50.533 -0.545 65 1HD1 ILE 6 HD11 ILE 6 19.915 -46.589 1.180 66 2HD1 ILE 6 HD12 ILE 6 18.570 -45.488 1.461 67 3HD1 ILE 6 HD13 ILE 6 18.926 -46.753 2.626 68 H GLU 7 HN GLU 7 19.904 -50.614 2.926 69 HA GLU 7 HA GLU 7 20.056 -52.944 1.376 70 1HB GLU 7 HB1 GLU 7 21.593 -51.937 3.715 71 2HB GLU 7 HB2 GLU 7 21.786 -53.618 3.270 72 1HG GLU 7 HG1 GLU 7 23.545 -52.446 2.152 73 2HG GLU 7 HG2 GLU 7 22.385 -52.848 0.911 74 H GLU 8 HN GLU 8 18.570 -52.749 4.707 75 HA GLU 8 HA GLU 8 17.907 -55.551 4.346 76 1HB GLU 8 HB1 GLU 8 16.818 -55.530 6.433 77 2HB GLU 8 HB2 GLU 8 18.356 -54.716 6.565 78 1HG GLU 8 HG1 GLU 8 17.210 -52.515 6.623 79 2HG GLU 8 HG2 GLU 8 15.646 -53.316 6.487 80 H GLU 9 HN GLU 9 15.784 -52.550 3.908 81 HA GLU 9 HA GLU 9 13.618 -54.415 3.067 82 1HB GLU 9 HB1 GLU 9 13.593 -51.425 3.347 83 2HB GLU 9 HB2 GLU 9 12.229 -52.431 2.916 84 1HG GLU 9 HG1 GLU 9 13.676 -52.369 5.596 85 2HG GLU 9 HG2 GLU 9 12.051 -51.820 5.261 86 H ALA 10 HN ALA 10 16.118 -52.848 1.088 87 HA ALA 10 HA ALA 10 14.813 -54.660 -0.833 88 1HB ALA 10 HB2 ALA 10 17.624 -53.620 -0.669 89 2HB ALA 10 HB3 ALA 10 16.942 -54.578 -1.997 90 3HB ALA 10 HB1 ALA 10 16.257 -53.000 -1.615 91 H ALA 11 HN ALA 11 17.758 -55.561 1.258 92 HA ALA 11 HA ALA 11 17.876 -57.962 -0.215 93 1HB ALA 11 HB1 ALA 11 19.238 -57.152 2.337 94 2HB ALA 11 HB2 ALA 11 19.659 -58.598 1.395 95 3HB ALA 11 HB3 ALA 11 19.855 -56.990 0.696 96 H LYS 12 HN LYS 12 15.907 -57.545 2.690 97 HA LYS 12 HA LYS 12 15.735 -60.311 3.352 98 1HB LYS 12 HB1 LYS 12 13.737 -58.068 3.652 99 2HB LYS 12 HB2 LYS 12 13.432 -59.691 4.247 100 1HG LYS 12 HG1 LYS 12 15.268 -59.536 5.816 101 2HG LYS 12 HG2 LYS 12 15.799 -58.011 5.111 102 1HD LYS 12 HD1 LYS 12 13.565 -57.022 5.742 103 2HD LYS 12 HD2 LYS 12 13.198 -58.509 6.606 104 1HE LYS 12 HE1 LYS 12 14.755 -58.111 8.264 105 2HE LYS 12 HE2 LYS 12 15.769 -57.108 7.246 106 1HZ LYS 12 HZ2 LYS 12 13.621 -55.562 7.189 107 2HZ LYS 12 HZ3 LYS 12 13.274 -56.397 8.636 108 3HZ LYS 12 HZ1 LYS 12 14.718 -55.465 8.495 109 OH TYR 13 OH TYR 13 13.473 -56.542 -5.899 110 H TYR 13 HN TYR 13 14.108 -58.431 0.897 111 HA TYR 13 HA TYR 13 12.487 -58.832 -0.629 112 1HB TYR 13 HB1 TYR 13 14.953 -60.122 -1.145 113 2HB TYR 13 HB2 TYR 13 13.690 -61.116 -1.833 114 HD1 TYR 13 HD1 TYR 13 14.717 -57.423 -1.692 115 HD2 TYR 13 HD2 TYR 13 12.789 -60.521 -3.919 116 HE1 TYR 13 HE1 TYR 13 14.568 -55.962 -3.630 117 HE2 TYR 13 HE2 TYR 13 12.598 -59.002 -5.832 118 HH TYR 13 HH TYR 13 13.025 -56.981 -6.622 119 H LYS 14 HN LYS 14 11.771 -60.379 1.838 120 HA LYS 14 HA LYS 14 10.055 -62.486 0.893 121 1HB LYS 14 HB1 LYS 14 9.902 -61.003 3.552 122 2HB LYS 14 HB2 LYS 14 9.196 -62.558 3.172 123 1HG LYS 14 HG1 LYS 14 12.188 -62.020 3.223 124 2HG LYS 14 HG2 LYS 14 11.280 -62.681 4.559 125 1HD LYS 14 HD1 LYS 14 10.892 -64.727 3.472 126 2HD LYS 14 HD2 LYS 14 11.265 -64.097 1.885 127 1HE LYS 14 HE1 LYS 14 13.358 -64.242 4.060 128 2HE LYS 14 HE2 LYS 14 13.008 -65.610 3.012 129 1HZ LYS 14 HZ1 LYS 14 13.418 -64.186 1.094 130 2HZ LYS 14 HZ2 LYS 14 13.827 -62.843 2.043 131 3HZ LYS 14 HZ3 LYS 14 14.785 -64.248 2.081 132 OH TYR 15 OH TYR 15 5.356 -60.717 6.680 133 H TYR 15 HN TYR 15 9.233 -59.265 2.243 134 HA TYR 15 HA TYR 15 6.739 -59.227 0.746 135 1HB TYR 15 HB1 TYR 15 7.931 -57.049 2.479 136 2HB TYR 15 HB2 TYR 15 6.307 -57.097 1.834 137 HD1 TYR 15 HD1 TYR 15 8.122 -57.743 4.748 138 HD2 TYR 15 HD2 TYR 15 5.055 -59.489 2.380 139 HE1 TYR 15 HE1 TYR 15 7.368 -59.044 6.682 140 HE2 TYR 15 HE2 TYR 15 4.297 -60.779 4.344 141 HH TYR 15 HH TYR 15 5.902 -60.531 7.445 142 H ALA 16 HN ALA 16 7.851 -59.613 -1.112 143 HA ALA 16 HA ALA 16 9.818 -58.167 -2.410 144 1HB ALA 16 HB1 ALA 16 7.580 -59.841 -3.594 145 2HB ALA 16 HB2 ALA 16 9.054 -59.370 -4.437 146 3HB ALA 16 HB3 ALA 16 9.145 -60.419 -3.028 147 H MET 17 HN MET 17 6.349 -57.576 -2.606 148 HA MET 17 HA MET 17 6.339 -55.541 -4.577 149 1HB MET 17 HB1 MET 17 4.383 -56.877 -3.746 150 2HB MET 17 HB2 MET 17 4.423 -55.959 -2.255 151 1HG MET 17 HG1 MET 17 3.942 -53.877 -3.526 152 2HG MET 17 HG2 MET 17 3.922 -54.793 -5.019 153 1HE MET 17 HE3 MET 17 2.166 -56.998 -5.267 154 2HE MET 17 HE1 MET 17 0.524 -56.388 -5.172 155 3HE MET 17 HE2 MET 17 1.723 -55.477 -6.073 156 H LEU 18 HN LEU 18 7.075 -55.347 -1.115 157 HA LEU 18 HA LEU 18 6.885 -52.426 -1.099 158 1HB LEU 18 HB1 LEU 18 7.555 -54.342 1.152 159 2HB LEU 18 HB2 LEU 18 7.256 -52.621 1.316 160 HG LEU 18 HG LEU 18 5.209 -54.641 0.322 161 1HD1 LEU 18 HD11 LEU 18 5.696 -54.983 2.705 162 2HD1 LEU 18 HD12 LEU 18 5.390 -53.279 3.014 163 3HD1 LEU 18 HD13 LEU 18 4.083 -54.322 2.477 164 1HD2 LEU 18 HD22 LEU 18 4.884 -51.718 1.044 165 2HD2 LEU 18 HD23 LEU 18 4.768 -52.390 -0.575 166 3HD2 LEU 18 HD21 LEU 18 3.565 -52.816 0.634 167 H LYS 19 HN LYS 19 9.458 -54.870 -0.592 168 HA LYS 19 HA LYS 19 11.690 -53.238 -1.003 169 1HB LYS 19 HB1 LYS 19 10.906 -56.055 -1.887 170 2HB LYS 19 HB2 LYS 19 12.512 -55.420 -2.093 171 1HG LYS 19 HG1 LYS 19 12.309 -56.925 -0.167 172 2HG LYS 19 HG2 LYS 19 12.942 -55.372 0.218 173 1HD LYS 19 HD1 LYS 19 11.033 -54.746 1.470 174 2HD LYS 19 HD2 LYS 19 10.094 -56.099 0.852 175 1HE LYS 19 HE1 LYS 19 11.499 -57.684 2.040 176 2HE LYS 19 HE2 LYS 19 12.565 -56.390 2.577 177 1HZ LYS 19 HZ3 LYS 19 9.671 -56.384 3.161 178 2HZ LYS 19 HZ1 LYS 19 10.796 -57.106 4.210 179 3HZ LYS 19 HZ2 LYS 19 10.844 -55.445 3.948 180 H LYS 20 HN LYS 20 9.595 -54.636 -3.681 181 HA LYS 20 HA LYS 20 10.837 -53.169 -5.761 182 1HB LYS 20 HB1 LYS 20 9.206 -55.156 -5.808 183 2HB LYS 20 HB2 LYS 20 7.931 -53.993 -5.641 184 1HG LYS 20 HG1 LYS 20 9.891 -53.889 -7.947 185 2HG LYS 20 HG2 LYS 20 8.496 -54.937 -7.985 186 1HD LYS 20 HD1 LYS 20 8.380 -51.922 -7.743 187 2HD LYS 20 HD2 LYS 20 8.188 -52.818 -9.230 188 1HE LYS 20 HE1 LYS 20 6.128 -53.832 -8.444 189 2HE LYS 20 HE2 LYS 20 6.335 -53.123 -6.840 190 1HZ LYS 20 HZ3 LYS 20 6.366 -50.887 -7.841 191 2HZ LYS 20 HZ1 LYS 20 6.117 -51.581 -9.363 192 3HZ LYS 20 HZ2 LYS 20 4.897 -51.705 -8.186 193 H CYS 21 HN CYS 21 8.080 -52.072 -3.568 194 HA CYS 21 HA CYS 21 7.840 -49.489 -4.528 195 1HB CYS 21 HB1 CYS 21 6.558 -50.649 -2.689 196 2HB CYS 21 HB2 CYS 21 7.857 -50.215 -1.599 197 H CYS 22 HN CYS 22 10.409 -50.496 -2.125 198 HA CYS 22 HA CYS 22 12.251 -48.338 -2.369 199 1HB CYS 22 HB1 CYS 22 12.547 -50.705 -1.277 200 2HB CYS 22 HB2 CYS 22 13.434 -50.941 -2.727 201 OH TYR 23 OH TYR 23 17.495 -53.917 -4.398 202 H TYR 23 HN TYR 23 12.072 -50.892 -4.720 203 HA TYR 23 HA TYR 23 13.815 -49.369 -6.378 204 1HB TYR 23 HB1 TYR 23 12.254 -51.836 -6.933 205 2HB TYR 23 HB2 TYR 23 13.547 -51.199 -7.932 206 HD1 TYR 23 HD1 TYR 23 13.903 -53.743 -7.065 207 HD2 TYR 23 HD2 TYR 23 14.623 -50.472 -4.363 208 HE1 TYR 23 HE1 TYR 23 15.911 -54.879 -6.172 209 HE2 TYR 23 HE2 TYR 23 16.636 -51.555 -3.651 210 HH TYR 23 HH TYR 23 17.939 -53.353 -3.764 211 H ASP 24 HN ASP 24 10.288 -49.399 -6.541 212 HA ASP 24 HA ASP 24 10.043 -47.486 -8.637 213 1HB ASP 24 HB1 ASP 24 8.321 -47.861 -6.167 214 2HB ASP 24 HB2 ASP 24 7.911 -46.801 -7.498 215 H GLY 25 HN GLY 25 10.863 -46.877 -5.207 216 1HA GLY 25 HA1 GLY 25 11.108 -44.021 -5.560 217 2HA GLY 25 HA2 GLY 25 11.770 -44.953 -4.243 218 H ALA 26 HN ALA 26 13.461 -46.654 -5.860 219 HA ALA 26 HA ALA 26 15.737 -45.022 -6.320 220 1HB ALA 26 HB2 ALA 26 15.945 -47.382 -5.717 221 2HB ALA 26 HB3 ALA 26 15.229 -47.862 -7.255 222 3HB ALA 26 HB1 ALA 26 16.795 -47.062 -7.223 223 OH TYR 27 OH TYR 27 17.248 -50.945 -11.636 224 H TYR 27 HN TYR 27 13.632 -46.578 -8.836 225 HA TYR 27 HA TYR 27 15.112 -45.265 -10.944 226 1HB TYR 27 HB1 TYR 27 12.624 -46.983 -10.965 227 2HB TYR 27 HB2 TYR 27 13.317 -46.304 -12.420 228 HD1 TYR 27 HD1 TYR 27 13.707 -48.858 -9.836 229 HD2 TYR 27 HD2 TYR 27 15.634 -47.023 -13.146 230 HE1 TYR 27 HE1 TYR 27 15.326 -50.728 -9.950 231 HE2 TYR 27 HE2 TYR 27 17.239 -48.875 -13.241 232 HH TYR 27 HH TYR 27 17.877 -50.808 -12.346 233 NH1 ARG 28 NH1 ARG 28 7.337 -43.730 -8.258 234 NH2 ARG 28 NH2 ARG 28 7.305 -41.674 -9.039 235 H ARG 28 HN ARG 28 14.587 -43.117 -9.676 236 HA ARG 28 HA ARG 28 12.167 -41.878 -10.845 237 1HB ARG 28 HB1 ARG 28 13.587 -41.340 -8.237 238 2HB ARG 28 HB2 ARG 28 12.448 -40.189 -8.901 239 1HG ARG 28 HG1 ARG 28 11.724 -43.091 -8.431 240 2HG ARG 28 HG2 ARG 28 11.563 -41.878 -7.184 241 1HD ARG 28 HD1 ARG 28 9.873 -40.721 -8.338 242 2HD ARG 28 HD2 ARG 28 10.212 -41.521 -9.872 243 HE ARG 28 HE ARG 28 9.625 -43.595 -8.121 244 1HH1 ARG 28 HH12 ARG 28 7.904 -44.478 -7.940 245 2HH1 ARG 28 HH11 ARG 28 6.353 -43.776 -8.329 246 1HH2 ARG 28 HH22 ARG 28 7.788 -40.833 -9.326 247 2HH2 ARG 28 HH21 ARG 28 6.325 -41.742 -9.108 248 H ASN 29 HN ASN 29 12.496 -40.668 -12.482 249 HA ASN 29 HA ASN 29 14.924 -39.457 -13.236 250 1HB ASN 29 HB1 ASN 29 13.479 -38.370 -15.071 251 2HB ASN 29 HB2 ASN 29 13.614 -40.114 -15.020 252 1HD2 ASN 29 HD21 ASN 29 10.339 -38.703 -13.214 253 2HD2 ASN 29 HD22 ASN 29 11.086 -37.496 -14.253 254 H ASP 30 HN ASP 30 15.251 -37.283 -13.866 255 HA ASP 30 HA ASP 30 15.853 -36.009 -11.462 256 1HB ASP 30 HB1 ASP 30 16.963 -34.329 -12.989 257 2HB ASP 30 HB2 ASP 30 17.383 -36.005 -13.302 258 H ASP 31 HN ASP 31 13.186 -35.209 -13.560 259 HA ASP 31 HA ASP 31 12.725 -32.549 -12.610 260 1HB ASP 31 HB1 ASP 31 10.482 -32.854 -13.706 261 2HB ASP 31 HB2 ASP 31 11.833 -33.254 -14.754 262 H GLU 32 HN GLU 32 11.801 -35.682 -11.331 263 HA GLU 32 HA GLU 32 9.754 -34.700 -9.553 264 1HB GLU 32 HB1 GLU 32 11.164 -37.348 -9.860 265 2HB GLU 32 HB2 GLU 32 9.952 -37.065 -8.617 266 1HG GLU 32 HG1 GLU 32 8.229 -36.617 -10.303 267 2HG GLU 32 HG2 GLU 32 9.411 -36.660 -11.600 268 H THR 33 HN THR 33 10.222 -33.447 -7.803 269 HA THR 33 HA THR 33 12.608 -33.811 -6.212 270 HB THR 33 HB THR 33 11.392 -32.110 -4.690 271 HG1 THR 33 HG1 THR 33 9.978 -30.768 -5.935 272 1HG2 THR 33 HG23 THR 33 13.290 -31.522 -6.151 273 2HG2 THR 33 HG21 THR 33 12.177 -31.319 -7.507 274 3HG2 THR 33 HG22 THR 33 12.089 -30.234 -6.121 275 H CYS 34 HN CYS 34 12.749 -35.514 -5.037 276 HA CYS 34 HA CYS 34 10.660 -37.431 -5.084 277 1HB CYS 34 HB1 CYS 34 13.396 -37.485 -5.107 278 2HB CYS 34 HB2 CYS 34 13.102 -37.967 -3.462 279 H GLU 35 HN GLU 35 12.168 -35.722 -2.355 280 HA GLU 35 HA GLU 35 10.701 -37.151 -0.340 281 1HB GLU 35 HB1 GLU 35 11.671 -35.602 1.262 282 2HB GLU 35 HB2 GLU 35 12.872 -36.300 0.214 283 1HG GLU 35 HG1 GLU 35 11.818 -33.473 -0.257 284 2HG GLU 35 HG2 GLU 35 13.108 -33.793 0.863 285 H GLU 36 HN GLU 36 10.012 -34.154 -2.058 286 HA GLU 36 HA GLU 36 7.823 -33.254 -0.460 287 1HB GLU 36 HB1 GLU 36 8.620 -32.825 -3.372 288 2HB GLU 36 HB2 GLU 36 7.121 -32.177 -2.745 289 1HG GLU 36 HG1 GLU 36 8.833 -30.439 -2.702 290 2HG GLU 36 HG2 GLU 36 8.384 -30.838 -1.058 291 NH1 ARG 37 NH1 ARG 37 7.331 -32.615 -8.623 292 NH2 ARG 37 NH2 ARG 37 8.257 -33.413 -6.818 293 H ARG 37 HN ARG 37 7.879 -35.099 -3.456 294 HA ARG 37 HA ARG 37 5.161 -35.905 -3.455 295 1HB ARG 37 HB1 ARG 37 7.611 -36.983 -4.851 296 2HB ARG 37 HB2 ARG 37 6.023 -37.709 -5.059 297 1HG ARG 37 HG1 ARG 37 5.098 -35.745 -6.020 298 2HG ARG 37 HG2 ARG 37 6.404 -34.731 -5.463 299 1HD ARG 37 HD1 ARG 37 7.905 -36.165 -7.051 300 2HD ARG 37 HD2 ARG 37 6.391 -36.726 -7.732 301 HE ARG 37 HE ARG 37 6.075 -34.576 -8.680 302 1HH1 ARG 37 HH12 ARG 37 6.724 -32.706 -9.398 303 2HH1 ARG 37 HH11 ARG 37 7.862 -31.798 -8.451 304 1HH2 ARG 37 HH22 ARG 37 8.337 -34.157 -6.165 305 2HH2 ARG 37 HH21 ARG 37 8.840 -32.578 -6.645 306 H ALA 38 HN ALA 38 8.050 -37.838 -2.243 307 HA ALA 38 HA ALA 38 6.274 -39.739 -1.129 308 1HB ALA 38 HB3 ALA 38 9.203 -39.433 -0.833 309 2HB ALA 38 HB1 ALA 38 8.212 -40.782 -0.191 310 3HB ALA 38 HB2 ALA 38 8.209 -40.418 -1.950 311 H ALA 39 HN ALA 39 7.240 -36.688 0.459 312 HA ALA 39 HA ALA 39 5.975 -37.410 2.874 313 1HB ALA 39 HB1 ALA 39 7.092 -35.254 2.547 314 2HB ALA 39 HB2 ALA 39 5.876 -34.772 1.370 315 3HB ALA 39 HB3 ALA 39 5.427 -34.996 3.063 316 NH1 ARG 40 NH1 ARG 40 -1.603 -34.083 -3.678 317 NH2 ARG 40 NH2 ARG 40 0.079 -32.867 -4.363 318 H ARG 40 HN ARG 40 4.460 -36.323 -0.194 319 HA ARG 40 HA ARG 40 1.777 -36.857 0.735 320 1HB ARG 40 HB1 ARG 40 2.873 -36.431 -2.043 321 2HB ARG 40 HB2 ARG 40 1.166 -36.568 -1.675 322 1HG ARG 40 HG1 ARG 40 1.358 -34.569 -0.168 323 2HG ARG 40 HG2 ARG 40 3.045 -34.417 -0.626 324 1HD ARG 40 HD1 ARG 40 1.781 -32.848 -1.930 325 2HD ARG 40 HD2 ARG 40 2.319 -34.140 -3.009 326 HE ARG 40 HE ARG 40 -0.238 -34.799 -1.950 327 1HH1 ARG 40 HH12 ARG 40 -1.986 -34.730 -3.036 328 2HH1 ARG 40 HH11 ARG 40 -2.125 -33.721 -4.435 329 1HH2 ARG 40 HH22 ARG 40 1.013 -32.575 -4.232 330 2HH2 ARG 40 HH21 ARG 40 -0.484 -32.536 -5.105 331 H ILE 41 HN ILE 41 4.097 -39.082 -0.597 332 HA ILE 41 HA ILE 41 2.173 -40.975 -1.507 333 HB ILE 41 HB ILE 41 5.165 -41.545 -1.388 334 1HG1 ILE 41 HG11 ILE 41 3.154 -40.513 -3.503 335 2HG1 ILE 41 HG12 ILE 41 4.485 -39.672 -2.708 336 1HG2 ILE 41 HG23 ILE 41 2.761 -42.940 -2.560 337 2HG2 ILE 41 HG21 ILE 41 4.485 -43.350 -2.905 338 3HG2 ILE 41 HG22 ILE 41 3.796 -43.561 -1.281 339 1HD1 ILE 41 HD11 ILE 41 5.113 -41.712 -4.666 340 2HD1 ILE 41 HD12 ILE 41 4.880 -40.001 -5.033 341 3HD1 ILE 41 HD13 ILE 41 6.131 -40.475 -3.863 342 H LYS 42 HN LYS 42 1.027 -41.092 0.022 343 HA LYS 42 HA LYS 42 1.640 -42.417 2.612 344 1HB LYS 42 HB1 LYS 42 -0.640 -40.610 1.839 345 2HB LYS 42 HB2 LYS 42 -0.642 -41.535 3.328 346 1HG LYS 42 HG1 LYS 42 1.514 -40.422 3.988 347 2HG LYS 42 HG2 LYS 42 1.443 -39.462 2.520 348 1HD LYS 42 HD1 LYS 42 -0.663 -38.440 3.252 349 2HD LYS 42 HD2 LYS 42 -0.702 -39.469 4.666 350 1HE LYS 42 HE1 LYS 42 0.030 -37.382 5.456 351 2HE LYS 42 HE2 LYS 42 1.470 -38.387 5.402 352 1HZ LYS 42 HZ2 LYS 42 0.673 -36.580 3.201 353 2HZ LYS 42 HZ3 LYS 42 1.730 -36.119 4.436 354 3HZ LYS 42 HZ1 LYS 42 2.207 -37.323 3.351 355 H ILE 43 HN ILE 43 1.433 -44.051 0.327 356 HA ILE 43 HA ILE 43 -1.071 -45.471 0.308 357 HB ILE 43 HB ILE 43 1.613 -46.166 -0.930 358 1HG1 ILE 43 HG11 ILE 43 -0.943 -45.179 -2.237 359 2HG1 ILE 43 HG12 ILE 43 0.354 -44.111 -1.764 360 1HG2 ILE 43 HG22 ILE 43 -1.068 -47.544 -1.377 361 2HG2 ILE 43 HG23 ILE 43 0.398 -47.860 -2.296 362 3HG2 ILE 43 HG21 ILE 43 0.334 -48.272 -0.604 363 1HD1 ILE 43 HD12 ILE 43 1.888 -45.283 -3.348 364 2HD1 ILE 43 HD13 ILE 43 0.553 -46.302 -3.870 365 3HD1 ILE 43 HD11 ILE 43 0.494 -44.572 -4.153 366 H GLY 44 HN GLY 44 2.113 -46.347 1.695 367 1HA GLY 44 HA1 GLY 44 0.766 -47.911 3.754 368 2HA GLY 44 HA2 GLY 44 1.758 -48.845 2.664 369 HA PRO 45 HA PRO 45 4.295 -46.302 6.156 370 1HB PRO 45 HB1 PRO 45 4.003 -48.928 7.656 371 2HB PRO 45 HB2 PRO 45 4.281 -47.293 8.286 372 1HG PRO 45 HG1 PRO 45 1.817 -48.216 8.319 373 2HG PRO 45 HG2 PRO 45 2.075 -46.578 7.682 374 1HD PRO 45 HD1 PRO 45 1.724 -49.172 6.144 375 2HD PRO 45 HD2 PRO 45 0.945 -47.594 5.890 376 H LYS 46 HN LYS 46 4.806 -49.841 5.748 377 HA LYS 46 HA LYS 46 7.617 -49.711 5.505 378 1HB LYS 46 HB1 LYS 46 5.564 -51.789 4.914 379 2HB LYS 46 HB2 LYS 46 7.122 -51.972 4.140 380 1HG LYS 46 HG1 LYS 46 8.179 -51.765 6.443 381 2HG LYS 46 HG2 LYS 46 6.557 -51.910 7.112 382 1HD LYS 46 HD1 LYS 46 6.248 -54.079 6.038 383 2HD LYS 46 HD2 LYS 46 7.764 -53.927 5.179 384 1HE LYS 46 HE1 LYS 46 7.518 -54.155 8.185 385 2HE LYS 46 HE2 LYS 46 7.844 -55.500 7.099 386 1HZ LYS 46 HZ1 LYS 46 9.840 -54.257 6.277 387 2HZ LYS 46 HZ2 LYS 46 9.492 -53.065 7.429 388 3HZ LYS 46 HZ3 LYS 46 9.914 -54.617 7.940 389 H CYS 47 HN CYS 47 5.136 -49.294 3.059 390 HA CYS 47 HA CYS 47 6.818 -49.464 0.748 391 1HB CYS 47 HB1 CYS 47 4.186 -49.511 0.935 392 2HB CYS 47 HB2 CYS 47 4.316 -47.784 0.834 393 H VAL 48 HN VAL 48 5.343 -46.304 2.117 394 HA VAL 48 HA VAL 48 7.111 -44.715 1.136 395 HB VAL 48 HB VAL 48 6.779 -43.869 3.958 396 1HG1 VAL 48 HG11 VAL 48 7.310 -42.393 1.851 397 2HG1 VAL 48 HG12 VAL 48 5.731 -42.955 1.280 398 3HG1 VAL 48 HG13 VAL 48 5.829 -41.889 2.683 399 1HG2 VAL 48 HG21 VAL 48 4.903 -45.182 3.999 400 2HG2 VAL 48 HG22 VAL 48 4.484 -43.460 4.020 401 3HG2 VAL 48 HG23 VAL 48 4.241 -44.405 2.550 402 H LYS 49 HN LYS 49 7.842 -46.407 4.251 403 HA LYS 49 HA LYS 49 10.357 -45.259 4.692 404 1HB LYS 49 HB1 LYS 49 9.286 -46.640 6.348 405 2HB LYS 49 HB2 LYS 49 9.466 -48.061 5.352 406 1HG LYS 49 HG1 LYS 49 12.081 -46.768 5.802 407 2HG LYS 49 HG2 LYS 49 11.265 -47.069 7.315 408 1HD LYS 49 HD1 LYS 49 11.315 -49.347 7.098 409 2HD LYS 49 HD2 LYS 49 11.265 -49.323 5.350 410 1HE LYS 49 HE1 LYS 49 13.690 -48.458 6.926 411 2HE LYS 49 HE2 LYS 49 13.442 -50.119 6.423 412 1HZ LYS 49 HZ1 LYS 49 13.003 -48.940 4.129 413 2HZ LYS 49 HZ2 LYS 49 13.970 -47.688 4.776 414 3HZ LYS 49 HZ3 LYS 49 14.588 -49.306 4.602 415 H ALA 50 HN ALA 50 9.964 -48.395 2.942 416 HA ALA 50 HA ALA 50 12.629 -48.666 1.927 417 1HB ALA 50 HB2 ALA 50 10.889 -50.427 2.000 418 2HB ALA 50 HB3 ALA 50 9.964 -49.577 0.779 419 3HB ALA 50 HB1 ALA 50 11.532 -50.271 0.390 420 H PHE 51 HN PHE 51 9.769 -47.169 0.383 421 HA PHE 51 HA PHE 51 10.934 -46.269 -2.009 422 1HB PHE 51 HB1 PHE 51 8.541 -46.530 -1.367 423 2HB PHE 51 HB2 PHE 51 8.679 -45.135 -0.345 424 HD1 PHE 51 HD1 PHE 51 8.309 -42.906 -1.273 425 HD2 PHE 51 HD2 PHE 51 8.936 -46.235 -3.886 426 HE1 PHE 51 HE1 PHE 51 6.908 -41.903 -2.927 427 HE2 PHE 51 HE2 PHE 51 7.859 -45.011 -5.697 428 HZ PHE 51 HZ PHE 51 6.918 -42.789 -5.276 429 H LYS 52 HN LYS 52 10.469 -44.303 1.043 430 HA LYS 52 HA LYS 52 11.515 -42.018 -0.155 431 1HB LYS 52 HB1 LYS 52 11.530 -40.878 1.939 432 2HB LYS 52 HB2 LYS 52 10.095 -41.879 1.873 433 1HG LYS 52 HG1 LYS 52 11.009 -43.468 3.411 434 2HG LYS 52 HG2 LYS 52 12.593 -42.730 3.383 435 1HD LYS 52 HD1 LYS 52 11.641 -40.687 4.438 436 2HD LYS 52 HD2 LYS 52 10.108 -41.527 4.581 437 1HE LYS 52 HE1 LYS 52 11.275 -41.696 6.691 438 2HE LYS 52 HE2 LYS 52 11.216 -43.288 5.950 439 1HZ LYS 52 HZ2 LYS 52 13.522 -41.450 5.675 440 2HZ LYS 52 HZ3 LYS 52 13.437 -42.657 6.855 441 3HZ LYS 52 HZ1 LYS 52 13.544 -43.090 5.224 442 H ASP 53 HN ASP 53 13.039 -44.664 1.738 443 HA ASP 53 HA ASP 53 15.607 -43.385 2.008 444 1HB ASP 53 HB1 ASP 53 14.927 -46.333 2.184 445 2HB ASP 53 HB2 ASP 53 16.394 -45.574 2.759 446 H CYS 54 HN CYS 54 14.415 -45.871 -0.318 447 HA CYS 54 HA CYS 54 16.579 -45.655 -2.088 448 1HB CYS 54 HB1 CYS 54 13.777 -46.572 -2.287 449 2HB CYS 54 HB2 CYS 54 14.646 -46.306 -3.769 450 H CYS 55 HN CYS 55 13.671 -43.426 -2.066 451 HA CYS 55 HA CYS 55 14.545 -41.697 -4.047 452 1HB CYS 55 HB1 CYS 55 13.110 -41.205 -1.483 453 2HB CYS 55 HB2 CYS 55 13.717 -39.820 -2.327 454 OH TYR 56 OH TYR 56 23.088 -42.450 2.393 455 H TYR 56 HN TYR 56 15.716 -41.616 -0.651 456 HA TYR 56 HA TYR 56 17.781 -39.759 -0.998 457 1HB TYR 56 HB1 TYR 56 17.485 -40.228 1.197 458 2HB TYR 56 HB2 TYR 56 17.195 -41.924 0.930 459 HD1 TYR 56 HD1 TYR 56 19.874 -39.416 1.523 460 HD2 TYR 56 HD2 TYR 56 19.007 -43.511 0.867 461 HE1 TYR 56 HE1 TYR 56 22.150 -40.028 2.257 462 HE2 TYR 56 HE2 TYR 56 21.278 -44.117 1.606 463 HH TYR 56 HH TYR 56 23.261 -43.391 2.136 464 H ILE 57 HN ILE 57 18.168 -43.332 -1.568 465 HA ILE 57 HA ILE 57 20.641 -43.173 -2.869 466 HB ILE 57 HB ILE 57 18.334 -44.998 -3.546 467 1HG1 ILE 57 HG11 ILE 57 18.935 -45.448 -1.346 468 2HG1 ILE 57 HG12 ILE 57 19.624 -46.745 -2.296 469 1HG2 ILE 57 HG22 ILE 57 21.193 -45.389 -4.467 470 2HG2 ILE 57 HG23 ILE 57 19.927 -46.608 -4.558 471 3HG2 ILE 57 HG21 ILE 57 19.785 -45.131 -5.486 472 1HD1 ILE 57 HD11 ILE 57 21.848 -45.558 -2.183 473 2HD1 ILE 57 HD12 ILE 57 21.068 -44.360 -1.148 474 3HD1 ILE 57 HD13 ILE 57 21.226 -46.026 -0.596 475 H ALA 58 HN ALA 58 17.559 -42.856 -4.495 476 HA ALA 58 HA ALA 58 18.448 -42.153 -7.074 477 1HB ALA 58 HB2 ALA 58 16.081 -42.524 -6.602 478 2HB ALA 58 HB3 ALA 58 16.016 -41.034 -5.666 479 3HB ALA 58 HB1 ALA 58 16.317 -40.973 -7.399 480 H ASN 59 HN ASN 59 17.802 -39.802 -4.426 481 HA ASN 59 HA ASN 59 18.941 -37.570 -5.747 482 1HB ASN 59 HB1 ASN 59 17.386 -37.611 -3.704 483 2HB ASN 59 HB2 ASN 59 18.827 -37.874 -2.738 484 1HD2 ASN 59 HD21 ASN 59 19.861 -34.780 -2.602 485 2HD2 ASN 59 HD22 ASN 59 20.701 -35.859 -3.676 486 H GLN 60 HN GLN 60 20.559 -39.906 -3.531 487 HA GLN 60 HA GLN 60 23.149 -38.830 -3.604 488 1HB GLN 60 HB1 GLN 60 22.287 -40.716 -2.195 489 2HB GLN 60 HB2 GLN 60 22.319 -41.741 -3.609 490 1HG GLN 60 HG1 GLN 60 24.810 -41.503 -3.722 491 2HG GLN 60 HG2 GLN 60 24.766 -40.528 -2.261 492 1HE2 GLN 60 HE21 GLN 60 24.123 -43.416 -0.210 493 2HE2 GLN 60 HE22 GLN 60 23.931 -41.692 -0.230 494 H VAL 61 HN VAL 61 21.740 -41.197 -5.938 495 HA VAL 61 HA VAL 61 23.905 -41.184 -7.763 496 HB VAL 61 HB VAL 61 20.975 -41.801 -8.187 497 1HG1 VAL 61 HG11 VAL 61 23.270 -42.449 -10.079 498 2HG1 VAL 61 HG12 VAL 61 21.622 -43.053 -10.224 499 3HG1 VAL 61 HG13 VAL 61 21.948 -41.342 -10.424 500 1HG2 VAL 61 HG22 VAL 61 23.393 -43.612 -7.812 501 2HG2 VAL 61 HG23 VAL 61 22.114 -43.326 -6.634 502 3HG2 VAL 61 HG21 VAL 61 21.752 -44.163 -8.136 503 NH1 ARG 62 NH1 ARG 62 14.571 -37.838 -9.183 504 NH2 ARG 62 NH2 ARG 62 15.096 -35.961 -8.224 505 H ARG 62 HN ARG 62 21.020 -39.019 -7.770 506 HA ARG 62 HA ARG 62 21.759 -37.440 -9.974 507 1HB ARG 62 HB1 ARG 62 20.349 -36.557 -7.447 508 2HB ARG 62 HB2 ARG 62 20.447 -35.610 -8.918 509 1HG ARG 62 HG1 ARG 62 19.153 -37.306 -10.147 510 2HG ARG 62 HG2 ARG 62 19.111 -38.330 -8.715 511 1HD ARG 62 HD1 ARG 62 17.920 -36.472 -7.500 512 2HD ARG 62 HD2 ARG 62 17.833 -35.604 -9.035 513 HE ARG 62 HE ARG 62 16.828 -38.266 -9.370 514 1HH1 ARG 62 HH12 ARG 62 14.811 -38.705 -9.645 515 2HH1 ARG 62 HH11 ARG 62 13.633 -37.553 -9.050 516 1HH2 ARG 62 HH22 ARG 62 15.783 -35.331 -7.901 517 2HH2 ARG 62 HH21 ARG 62 14.096 -35.769 -8.147 518 H ALA 63 HN ALA 63 22.815 -36.996 -6.573 519 HA ALA 63 HA ALA 63 24.563 -34.805 -7.187 520 1HB ALA 63 HB3 ALA 63 23.608 -35.105 -4.961 521 2HB ALA 63 HB1 ALA 63 24.440 -36.645 -4.775 522 3HB ALA 63 HB2 ALA 63 25.365 -35.146 -4.863 523 H GLU 64 HN GLU 64 25.340 -38.297 -6.549 524 HA GLU 64 HA GLU 64 28.162 -37.809 -7.032 525 1HB GLU 64 HB1 GLU 64 27.195 -39.351 -5.297 526 2HB GLU 64 HB2 GLU 64 26.715 -40.422 -6.598 527 1HG GLU 64 HG1 GLU 64 29.093 -40.761 -7.229 528 2HG GLU 64 HG2 GLU 64 29.603 -39.640 -5.971 529 H GLN 65 HN GLN 65 27.523 -36.929 -9.208 530 HA GLN 65 HA GLN 65 27.688 -39.019 -11.298 531 1HB GLN 65 HB1 GLN 65 26.991 -36.077 -11.458 532 2HB GLN 65 HB2 GLN 65 27.236 -37.081 -12.874 533 1HG GLN 65 HG1 GLN 65 25.356 -38.552 -12.186 534 2HG GLN 65 HG2 GLN 65 25.091 -37.572 -10.756 535 1HE2 GLN 65 HE21 GLN 65 23.225 -35.197 -12.586 536 2HE2 GLN 65 HE22 GLN 65 23.759 -35.697 -11.000 Start of MODEL 28 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 23.817 -44.788 7.446 2 2H MET 1 HT2 MET 1 23.231 -43.514 8.406 3 3H MET 1 HT1 MET 1 24.691 -44.241 8.808 4 HA MET 1 HA MET 1 23.691 -46.231 9.429 5 1HB MET 1 HB1 MET 1 22.489 -45.578 11.365 6 2HB MET 1 HB2 MET 1 23.796 -44.462 11.098 7 1HG MET 1 HG1 MET 1 20.894 -43.838 10.437 8 2HG MET 1 HG2 MET 1 21.649 -43.464 11.959 9 1HE MET 1 HE3 MET 1 23.891 -41.851 12.105 10 2HE MET 1 HE1 MET 1 23.514 -40.270 11.447 11 3HE MET 1 HE2 MET 1 22.333 -41.077 12.463 12 H LEU 2 HN LEU 2 21.377 -44.270 7.682 13 HA LEU 2 HA LEU 2 19.097 -45.957 7.915 14 1HB LEU 2 HB1 LEU 2 19.838 -43.971 5.736 15 2HB LEU 2 HB2 LEU 2 18.240 -44.618 6.029 16 HG LEU 2 HG LEU 2 19.731 -42.890 8.033 17 1HD1 LEU 2 HD11 LEU 2 19.242 -41.628 5.978 18 2HD1 LEU 2 HD12 LEU 2 17.560 -42.145 6.058 19 3HD1 LEU 2 HD13 LEU 2 18.217 -41.086 7.300 20 1HD2 LEU 2 HD22 LEU 2 16.812 -43.712 7.899 21 2HD2 LEU 2 HD23 LEU 2 17.979 -44.296 9.083 22 3HD2 LEU 2 HD21 LEU 2 17.514 -42.604 9.077 23 H GLN 3 HN GLN 3 21.914 -46.202 6.006 24 HA GLN 3 HA GLN 3 21.279 -47.848 3.857 25 1HB GLN 3 HB1 GLN 3 23.748 -47.821 5.616 26 2HB GLN 3 HB2 GLN 3 23.621 -48.718 4.120 27 1HG GLN 3 HG1 GLN 3 24.821 -46.737 3.591 28 2HG GLN 3 HG2 GLN 3 23.223 -46.525 2.915 29 1HE2 GLN 3 HE21 GLN 3 23.567 -43.302 4.359 30 2HE2 GLN 3 HE22 GLN 3 23.721 -44.193 2.884 31 H LYS 4 HN LYS 4 21.871 -48.758 7.195 32 HA LYS 4 HA LYS 4 21.698 -51.549 7.104 33 1HB LYS 4 HB1 LYS 4 22.446 -50.180 9.010 34 2HB LYS 4 HB2 LYS 4 20.827 -49.559 9.231 35 1HG LYS 4 HG1 LYS 4 20.063 -51.887 9.805 36 2HG LYS 4 HG2 LYS 4 21.722 -52.437 9.638 37 1HD LYS 4 HD1 LYS 4 22.440 -50.979 11.453 38 2HD LYS 4 HD2 LYS 4 20.851 -50.250 11.558 39 1HE LYS 4 HE1 LYS 4 21.393 -53.183 12.086 40 2HE LYS 4 HE2 LYS 4 21.383 -51.951 13.342 41 1HZ LYS 4 HZ3 LYS 4 19.106 -51.364 12.600 42 2HZ LYS 4 HZ1 LYS 4 19.057 -52.692 11.529 43 3HZ LYS 4 HZ2 LYS 4 19.205 -52.941 13.201 44 H LYS 5 HN LYS 5 19.025 -49.173 7.245 45 HA LYS 5 HA LYS 5 17.027 -51.234 7.324 46 1HB LYS 5 HB1 LYS 5 17.043 -48.335 7.653 47 2HB LYS 5 HB2 LYS 5 15.667 -48.872 6.720 48 1HG LYS 5 HG1 LYS 5 16.419 -50.219 9.338 49 2HG LYS 5 HG2 LYS 5 15.406 -48.787 9.292 50 1HD LYS 5 HD1 LYS 5 13.685 -49.877 8.092 51 2HD LYS 5 HD2 LYS 5 14.703 -51.206 7.600 52 1HE LYS 5 HE1 LYS 5 14.784 -52.062 9.876 53 2HE LYS 5 HE2 LYS 5 13.816 -50.699 10.446 54 1HZ LYS 5 HZ1 LYS 5 12.911 -52.515 8.202 55 2HZ LYS 5 HZ2 LYS 5 12.523 -52.769 9.858 56 3HZ LYS 5 HZ3 LYS 5 12.019 -51.361 9.068 57 H ILE 6 HN ILE 6 18.193 -49.157 4.603 58 HA ILE 6 HA ILE 6 16.582 -50.453 2.636 59 HB ILE 6 HB ILE 6 19.447 -49.601 2.158 60 1HG1 ILE 6 HG11 ILE 6 17.915 -47.810 0.738 61 2HG1 ILE 6 HG12 ILE 6 16.920 -48.067 2.147 62 1HG2 ILE 6 HG22 ILE 6 17.323 -50.288 0.052 63 2HG2 ILE 6 HG23 ILE 6 18.884 -49.565 -0.272 64 3HG2 ILE 6 HG21 ILE 6 18.800 -51.181 0.384 65 1HD1 ILE 6 HD12 ILE 6 19.843 -47.250 2.167 66 2HD1 ILE 6 HD13 ILE 6 18.482 -46.176 2.451 67 3HD1 ILE 6 HD11 ILE 6 18.838 -47.457 3.601 68 H GLU 7 HN GLU 7 19.799 -51.428 3.887 69 HA GLU 7 HA GLU 7 19.863 -53.935 2.629 70 1HB GLU 7 HB1 GLU 7 21.298 -52.806 4.981 71 2HB GLU 7 HB2 GLU 7 21.344 -54.539 4.755 72 1HG GLU 7 HG1 GLU 7 23.297 -53.735 3.663 73 2HG GLU 7 HG2 GLU 7 22.184 -54.103 2.365 74 H GLU 8 HN GLU 8 18.521 -53.422 6.039 75 HA GLU 8 HA GLU 8 17.783 -56.132 6.239 76 1HB GLU 8 HB1 GLU 8 16.573 -53.670 7.546 77 2HB GLU 8 HB2 GLU 8 16.047 -55.296 7.946 78 1HG GLU 8 HG1 GLU 8 18.335 -55.883 8.708 79 2HG GLU 8 HG2 GLU 8 18.899 -54.273 8.279 80 H GLU 9 HN GLU 9 15.700 -53.559 4.730 81 HA GLU 9 HA GLU 9 13.660 -55.595 4.198 82 1HB GLU 9 HB1 GLU 9 13.837 -52.687 3.898 83 2HB GLU 9 HB2 GLU 9 12.942 -53.493 2.630 84 1HG GLU 9 HG1 GLU 9 11.503 -52.774 4.574 85 2HG GLU 9 HG2 GLU 9 11.385 -54.478 4.212 86 H ALA 10 HN ALA 10 15.765 -53.828 1.864 87 HA ALA 10 HA ALA 10 15.369 -55.889 -0.122 88 1HB ALA 10 HB1 ALA 10 17.389 -53.642 0.049 89 2HB ALA 10 HB2 ALA 10 17.113 -54.648 -1.376 90 3HB ALA 10 HB3 ALA 10 15.834 -53.596 -0.782 91 H ALA 11 HN ALA 11 17.638 -56.354 2.573 92 HA ALA 11 HA ALA 11 18.876 -58.485 1.114 93 1HB ALA 11 HB3 ALA 11 18.606 -58.053 4.113 94 2HB ALA 11 HB1 ALA 11 19.606 -59.314 3.358 95 3HB ALA 11 HB2 ALA 11 19.959 -57.608 3.092 96 H LYS 12 HN LYS 12 16.043 -58.467 3.250 97 HA LYS 12 HA LYS 12 15.868 -61.264 3.560 98 1HB LYS 12 HB1 LYS 12 13.882 -59.064 4.041 99 2HB LYS 12 HB2 LYS 12 13.449 -60.746 4.287 100 1HG LYS 12 HG1 LYS 12 15.439 -60.933 5.869 101 2HG LYS 12 HG2 LYS 12 15.600 -59.190 5.757 102 1HD LYS 12 HD1 LYS 12 12.886 -60.240 6.466 103 2HD LYS 12 HD2 LYS 12 14.137 -60.460 7.652 104 1HE LYS 12 HE1 LYS 12 12.719 -58.452 8.032 105 2HE LYS 12 HE2 LYS 12 14.441 -58.113 7.942 106 1HZ LYS 12 HZ3 LYS 12 12.807 -57.984 5.518 107 2HZ LYS 12 HZ1 LYS 12 12.846 -56.587 6.511 108 3HZ LYS 12 HZ2 LYS 12 14.300 -57.217 5.844 109 OH TYR 13 OH TYR 13 17.236 -58.012 -4.837 110 H TYR 13 HN TYR 13 14.089 -59.229 1.249 111 HA TYR 13 HA TYR 13 13.053 -59.651 -0.706 112 1HB TYR 13 HB1 TYR 13 15.054 -61.839 -0.618 113 2HB TYR 13 HB2 TYR 13 13.772 -61.998 -1.787 114 HD1 TYR 13 HD1 TYR 13 14.978 -61.737 -3.748 115 HD2 TYR 13 HD2 TYR 13 15.412 -58.653 -0.813 116 HE1 TYR 13 HE1 TYR 13 16.244 -60.379 -5.338 117 HE2 TYR 13 HE2 TYR 13 16.700 -57.365 -2.401 118 HH TYR 13 HH TYR 13 17.344 -58.476 -5.668 119 H LYS 14 HN LYS 14 12.469 -62.217 1.639 120 HA LYS 14 HA LYS 14 10.077 -63.237 0.558 121 1HB LYS 14 HB1 LYS 14 10.609 -62.702 3.504 122 2HB LYS 14 HB2 LYS 14 9.396 -63.773 2.849 123 1HG LYS 14 HG1 LYS 14 10.861 -65.465 2.950 124 2HG LYS 14 HG2 LYS 14 11.802 -64.690 1.697 125 1HD LYS 14 HD1 LYS 14 12.831 -63.299 3.691 126 2HD LYS 14 HD2 LYS 14 12.149 -64.557 4.695 127 1HE LYS 14 HE1 LYS 14 14.460 -65.062 4.301 128 2HE LYS 14 HE2 LYS 14 13.486 -66.243 3.430 129 1HZ LYS 14 HZ2 LYS 14 14.441 -63.699 2.137 130 2HZ LYS 14 HZ3 LYS 14 15.360 -65.153 2.120 131 3HZ LYS 14 HZ1 LYS 14 13.830 -65.103 1.408 132 OH TYR 15 OH TYR 15 8.560 -60.582 8.300 133 H TYR 15 HN TYR 15 10.542 -60.331 2.533 134 HA TYR 15 HA TYR 15 7.885 -59.301 2.016 135 1HB TYR 15 HB1 TYR 15 10.354 -57.914 3.105 136 2HB TYR 15 HB2 TYR 15 8.728 -57.284 3.147 137 HD1 TYR 15 HD1 TYR 15 7.386 -60.070 3.993 138 HD2 TYR 15 HD2 TYR 15 10.674 -57.822 5.484 139 HE1 TYR 15 HE1 TYR 15 7.077 -61.072 6.192 140 HE2 TYR 15 HE2 TYR 15 10.387 -58.911 7.684 141 HH TYR 15 HH TYR 15 7.819 -61.190 8.295 142 H ALA 16 HN ALA 16 8.370 -59.915 -0.258 143 HA ALA 16 HA ALA 16 10.114 -58.585 -1.992 144 1HB ALA 16 HB1 ALA 16 7.507 -60.032 -2.577 145 2HB ALA 16 HB2 ALA 16 8.729 -59.617 -3.778 146 3HB ALA 16 HB3 ALA 16 9.117 -60.742 -2.482 147 H MET 17 HN MET 17 6.687 -57.885 -1.459 148 HA MET 17 HA MET 17 6.473 -55.658 -3.210 149 1HB MET 17 HB1 MET 17 4.589 -57.048 -2.318 150 2HB MET 17 HB2 MET 17 4.828 -56.328 -0.744 151 1HG MET 17 HG1 MET 17 2.942 -55.269 -1.787 152 2HG MET 17 HG2 MET 17 4.230 -54.092 -1.714 153 1HE MET 17 HE1 MET 17 5.347 -52.994 -3.605 154 2HE MET 17 HE2 MET 17 4.612 -52.882 -5.190 155 3HE MET 17 HE3 MET 17 3.709 -52.338 -3.780 156 H LEU 18 HN LEU 18 7.696 -55.893 0.068 157 HA LEU 18 HA LEU 18 7.511 -53.020 0.556 158 1HB LEU 18 HB1 LEU 18 8.683 -55.160 2.347 159 2HB LEU 18 HB2 LEU 18 8.263 -53.518 2.795 160 HG LEU 18 HG LEU 18 6.284 -55.664 1.944 161 1HD1 LEU 18 HD12 LEU 18 7.182 -56.100 4.177 162 2HD1 LEU 18 HD13 LEU 18 6.786 -54.461 4.667 163 3HD1 LEU 18 HD11 LEU 18 5.503 -55.595 4.272 164 1HD2 LEU 18 HD21 LEU 18 5.765 -52.855 2.933 165 2HD2 LEU 18 HD22 LEU 18 5.462 -53.432 1.300 166 3HD2 LEU 18 HD23 LEU 18 4.523 -54.076 2.645 167 H LYS 19 HN LYS 19 10.239 -55.388 0.250 168 HA LYS 19 HA LYS 19 12.145 -53.441 -0.327 169 1HB LYS 19 HB1 LYS 19 13.047 -55.567 -0.135 170 2HB LYS 19 HB2 LYS 19 11.694 -56.355 -0.879 171 1HG LYS 19 HG1 LYS 19 13.515 -54.871 -2.748 172 2HG LYS 19 HG2 LYS 19 14.162 -56.289 -1.968 173 1HD LYS 19 HD1 LYS 19 12.489 -57.724 -2.849 174 2HD LYS 19 HD2 LYS 19 11.495 -56.383 -3.391 175 1HE LYS 19 HE1 LYS 19 13.152 -55.781 -5.070 176 2HE LYS 19 HE2 LYS 19 14.240 -57.044 -4.496 177 1HZ LYS 19 HZ3 LYS 19 11.482 -57.472 -5.499 178 2HZ LYS 19 HZ1 LYS 19 12.891 -57.799 -6.387 179 3HZ LYS 19 HZ2 LYS 19 12.547 -58.680 -4.981 180 H LYS 20 HN LYS 20 9.766 -54.795 -2.778 181 HA LYS 20 HA LYS 20 10.667 -53.086 -4.853 182 1HB LYS 20 HB1 LYS 20 9.103 -55.086 -5.022 183 2HB LYS 20 HB2 LYS 20 7.821 -54.055 -4.429 184 1HG LYS 20 HG1 LYS 20 8.092 -52.565 -6.398 185 2HG LYS 20 HG2 LYS 20 9.385 -53.595 -6.993 186 1HD LYS 20 HD1 LYS 20 7.807 -55.494 -7.154 187 2HD LYS 20 HD2 LYS 20 6.513 -54.476 -6.539 188 1HE LYS 20 HE1 LYS 20 6.758 -52.981 -8.496 189 2HE LYS 20 HE2 LYS 20 8.051 -54.010 -9.115 190 1HZ LYS 20 HZ1 LYS 20 5.280 -54.890 -8.522 191 2HZ LYS 20 HZ2 LYS 20 5.900 -54.619 -10.075 192 3HZ LYS 20 HZ3 LYS 20 6.517 -55.873 -9.119 193 H CYS 21 HN CYS 21 8.285 -52.345 -2.176 194 HA CYS 21 HA CYS 21 7.783 -49.697 -2.874 195 1HB CYS 21 HB1 CYS 21 6.875 -51.227 -1.013 196 2HB CYS 21 HB2 CYS 21 8.207 -50.628 -0.046 197 H CYS 22 HN CYS 22 10.611 -50.820 -0.885 198 HA CYS 22 HA CYS 22 12.318 -48.554 -0.988 199 1HB CYS 22 HB1 CYS 22 12.716 -51.022 -0.193 200 2HB CYS 22 HB2 CYS 22 13.543 -51.071 -1.696 201 OH TYR 23 OH TYR 23 17.384 -53.859 -3.814 202 H TYR 23 HN TYR 23 11.966 -50.815 -3.597 203 HA TYR 23 HA TYR 23 13.554 -49.114 -5.239 204 1HB TYR 23 HB1 TYR 23 12.027 -51.587 -5.878 205 2HB TYR 23 HB2 TYR 23 13.235 -50.829 -6.899 206 HD1 TYR 23 HD1 TYR 23 14.536 -50.443 -3.345 207 HD2 TYR 23 HD2 TYR 23 13.703 -53.419 -6.338 208 HE1 TYR 23 HE1 TYR 23 16.555 -51.594 -2.808 209 HE2 TYR 23 HE2 TYR 23 15.765 -54.632 -5.642 210 HH TYR 23 HH TYR 23 17.854 -53.361 -3.145 211 H ASP 24 HN ASP 24 10.029 -49.346 -5.043 212 HA ASP 24 HA ASP 24 9.325 -47.334 -6.870 213 1HB ASP 24 HB1 ASP 24 7.896 -48.757 -5.126 214 2HB ASP 24 HB2 ASP 24 8.047 -47.312 -4.132 215 H GLY 25 HN GLY 25 10.413 -46.803 -3.482 216 1HA GLY 25 HA1 GLY 25 10.731 -43.998 -3.651 217 2HA GLY 25 HA2 GLY 25 11.569 -45.035 -2.524 218 H ALA 26 HN ALA 26 13.172 -46.500 -4.351 219 HA ALA 26 HA ALA 26 15.265 -44.791 -5.126 220 1HB ALA 26 HB3 ALA 26 15.592 -47.194 -4.846 221 2HB ALA 26 HB1 ALA 26 14.612 -47.508 -6.280 222 3HB ALA 26 HB2 ALA 26 16.151 -46.672 -6.431 223 OH TYR 27 OH TYR 27 14.430 -49.193 -12.668 224 H TYR 27 HN TYR 27 12.626 -46.028 -7.272 225 HA TYR 27 HA TYR 27 13.367 -44.279 -9.413 226 1HB TYR 27 HB1 TYR 27 10.917 -45.925 -8.851 227 2HB TYR 27 HB2 TYR 27 10.938 -44.805 -10.195 228 HD1 TYR 27 HD1 TYR 27 12.459 -45.185 -12.118 229 HD2 TYR 27 HD2 TYR 27 12.404 -47.924 -8.870 230 HE1 TYR 27 HE1 TYR 27 13.699 -46.811 -13.470 231 HE2 TYR 27 HE2 TYR 27 13.646 -49.557 -10.249 232 HH TYR 27 HH TYR 27 14.615 -48.834 -13.536 233 NH1 ARG 28 NH1 ARG 28 13.152 -34.967 -4.437 234 NH2 ARG 28 NH2 ARG 28 11.388 -35.725 -5.465 235 H ARG 28 HN ARG 28 13.697 -42.451 -7.860 236 HA ARG 28 HA ARG 28 11.561 -40.641 -7.282 237 1HB ARG 28 HB1 ARG 28 13.854 -40.674 -6.340 238 2HB ARG 28 HB2 ARG 28 14.505 -40.213 -7.891 239 1HG ARG 28 HG1 ARG 28 14.597 -38.274 -6.618 240 2HG ARG 28 HG2 ARG 28 13.204 -38.019 -7.632 241 1HD ARG 28 HD1 ARG 28 11.684 -38.294 -5.858 242 2HD ARG 28 HD2 ARG 28 12.859 -39.134 -4.852 243 HE ARG 28 HE ARG 28 14.112 -36.969 -4.684 244 1HH1 ARG 28 HH12 ARG 28 14.071 -35.145 -4.056 245 2HH1 ARG 28 HH11 ARG 28 12.700 -34.086 -4.395 246 1HH2 ARG 28 HH22 ARG 28 10.849 -36.466 -5.906 247 2HH2 ARG 28 HH21 ARG 28 11.027 -34.794 -5.381 248 H ASN 29 HN ASN 29 10.188 -39.717 -8.859 249 HA ASN 29 HA ASN 29 11.341 -39.052 -11.463 250 1HB ASN 29 HB1 ASN 29 9.622 -40.311 -12.721 251 2HB ASN 29 HB2 ASN 29 10.730 -41.323 -11.822 252 1HD2 ASN 29 HD21 ASN 29 8.199 -43.099 -10.516 253 2HD2 ASN 29 HD22 ASN 29 9.641 -42.515 -9.746 254 H ASP 30 HN ASP 30 7.875 -39.108 -11.563 255 HA ASP 30 HA ASP 30 7.865 -36.240 -11.995 256 1HB ASP 30 HB1 ASP 30 5.726 -38.386 -12.264 257 2HB ASP 30 HB2 ASP 30 5.501 -36.700 -12.709 258 H ASP 31 HN ASP 31 8.558 -36.301 -9.560 259 HA ASP 31 HA ASP 31 6.223 -35.532 -7.944 260 1HB ASP 31 HB1 ASP 31 7.177 -36.811 -5.972 261 2HB ASP 31 HB2 ASP 31 6.508 -37.773 -7.271 262 H GLU 32 HN GLU 32 6.578 -34.064 -6.286 263 HA GLU 32 HA GLU 32 8.888 -32.321 -6.509 264 1HB GLU 32 HB1 GLU 32 6.587 -31.467 -6.084 265 2HB GLU 32 HB2 GLU 32 6.565 -32.289 -4.545 266 1HG GLU 32 HG1 GLU 32 7.026 -29.943 -4.132 267 2HG GLU 32 HG2 GLU 32 8.514 -30.805 -3.804 268 H THR 33 HN THR 33 7.570 -34.357 -3.879 269 HA THR 33 HA THR 33 10.279 -34.960 -2.980 270 HB THR 33 HB THR 33 9.861 -32.945 -1.762 271 HG1 THR 33 HG1 THR 33 9.688 -34.805 0.341 272 1HG2 THR 33 HG23 THR 33 7.417 -32.963 -1.466 273 2HG2 THR 33 HG21 THR 33 7.561 -34.350 -0.382 274 3HG2 THR 33 HG22 THR 33 8.270 -32.806 0.069 275 H CYS 34 HN CYS 34 10.281 -36.455 -1.117 276 HA CYS 34 HA CYS 34 9.361 -38.933 -2.081 277 1HB CYS 34 HB1 CYS 34 10.469 -38.199 0.656 278 2HB CYS 34 HB2 CYS 34 10.318 -39.833 0.047 279 H GLU 35 HN GLU 35 8.388 -37.240 0.823 280 HA GLU 35 HA GLU 35 6.380 -39.199 1.553 281 1HB GLU 35 HB1 GLU 35 5.854 -37.739 3.478 282 2HB GLU 35 HB2 GLU 35 7.482 -38.347 3.419 283 1HG GLU 35 HG1 GLU 35 6.766 -35.499 2.582 284 2HG GLU 35 HG2 GLU 35 7.218 -35.934 4.220 285 H GLU 36 HN GLU 36 6.234 -36.573 -0.558 286 HA GLU 36 HA GLU 36 3.368 -36.137 -0.367 287 1HB GLU 36 HB1 GLU 36 4.708 -34.343 -1.096 288 2HB GLU 36 HB2 GLU 36 5.601 -35.323 -2.226 289 1HG GLU 36 HG1 GLU 36 2.702 -35.026 -2.874 290 2HG GLU 36 HG2 GLU 36 3.629 -33.542 -2.911 291 NH1 ARG 37 NH1 ARG 37 7.928 -43.674 -6.519 292 NH2 ARG 37 NH2 ARG 37 8.521 -41.741 -7.318 293 H ARG 37 HN ARG 37 5.479 -37.758 -2.766 294 HA ARG 37 HA ARG 37 3.362 -39.210 -3.993 295 1HB ARG 37 HB1 ARG 37 5.866 -38.783 -4.807 296 2HB ARG 37 HB2 ARG 37 6.136 -40.351 -4.067 297 1HG ARG 37 HG1 ARG 37 4.219 -41.270 -5.434 298 2HG ARG 37 HG2 ARG 37 4.071 -39.712 -6.213 299 1HD ARG 37 HD1 ARG 37 5.288 -40.947 -7.759 300 2HD ARG 37 HD2 ARG 37 6.532 -40.038 -6.922 301 HE ARG 37 HE ARG 37 5.973 -42.704 -5.833 302 1HH1 ARG 37 HH12 ARG 37 7.250 -44.330 -6.151 303 2HH1 ARG 37 HH11 ARG 37 8.872 -43.994 -6.664 304 1HH2 ARG 37 HH22 ARG 37 8.368 -40.757 -7.474 305 2HH2 ARG 37 HH21 ARG 37 9.385 -42.194 -7.580 306 H ALA 38 HN ALA 38 5.619 -40.201 -1.327 307 HA ALA 38 HA ALA 38 3.945 -42.509 -0.880 308 1HB ALA 38 HB3 ALA 38 6.485 -41.686 0.403 309 2HB ALA 38 HB1 ALA 38 5.526 -43.105 0.862 310 3HB ALA 38 HB2 ALA 38 6.109 -42.949 -0.794 311 H ALA 39 HN ALA 39 3.359 -39.271 0.382 312 HA ALA 39 HA ALA 39 1.405 -40.322 2.100 313 1HB ALA 39 HB1 ALA 39 1.781 -37.913 1.858 314 2HB ALA 39 HB2 ALA 39 1.187 -37.964 0.203 315 3HB ALA 39 HB3 ALA 39 0.087 -38.296 1.543 316 NH1 ARG 40 NH1 ARG 40 0.268 -35.867 -5.670 317 NH2 ARG 40 NH2 ARG 40 1.667 -37.479 -5.319 318 H ARG 40 HN ARG 40 1.301 -40.015 -1.486 319 HA ARG 40 HA ARG 40 -1.179 -41.460 -1.710 320 1HB ARG 40 HB1 ARG 40 0.991 -41.240 -3.792 321 2HB ARG 40 HB2 ARG 40 -0.650 -41.804 -4.075 322 1HG ARG 40 HG1 ARG 40 -1.482 -39.527 -3.343 323 2HG ARG 40 HG2 ARG 40 0.186 -38.998 -3.251 324 1HD ARG 40 HD1 ARG 40 0.361 -39.788 -5.737 325 2HD ARG 40 HD2 ARG 40 -1.386 -39.834 -5.690 326 HE ARG 40 HE ARG 40 -1.429 -37.461 -5.507 327 1HH1 ARG 40 HH12 ARG 40 -0.646 -35.514 -5.791 328 2HH1 ARG 40 HH11 ARG 40 1.080 -35.297 -5.690 329 1HH2 ARG 40 HH22 ARG 40 1.836 -38.436 -5.165 330 2HH2 ARG 40 HH21 ARG 40 2.409 -36.775 -5.343 331 H ILE 41 HN ILE 41 2.135 -42.871 -2.175 332 HA ILE 41 HA ILE 41 1.287 -45.506 -1.958 333 HB ILE 41 HB ILE 41 4.153 -44.615 -1.490 334 1HG1 ILE 41 HG11 ILE 41 3.938 -46.048 -3.854 335 2HG1 ILE 41 HG12 ILE 41 2.431 -45.111 -3.868 336 1HG2 ILE 41 HG21 ILE 41 3.014 -47.289 -1.841 337 2HG2 ILE 41 HG22 ILE 41 4.741 -46.702 -1.971 338 3HG2 ILE 41 HG23 ILE 41 3.843 -46.663 -0.409 339 1HD1 ILE 41 HD13 ILE 41 5.057 -43.947 -3.191 340 2HD1 ILE 41 HD11 ILE 41 4.469 -44.004 -4.886 341 3HD1 ILE 41 HD12 ILE 41 3.616 -43.071 -3.640 342 H LYS 42 HN LYS 42 0.042 -45.678 -0.681 343 HA LYS 42 HA LYS 42 0.119 -45.332 2.249 344 1HB LYS 42 HB1 LYS 42 -2.071 -45.768 0.228 345 2HB LYS 42 HB2 LYS 42 -2.398 -46.155 1.899 346 1HG LYS 42 HG1 LYS 42 -1.340 -43.439 1.099 347 2HG LYS 42 HG2 LYS 42 -3.050 -43.815 1.044 348 1HD LYS 42 HD1 LYS 42 -3.009 -44.399 3.454 349 2HD LYS 42 HD2 LYS 42 -1.305 -44.012 3.532 350 1HE LYS 42 HE1 LYS 42 -3.421 -42.004 2.728 351 2HE LYS 42 HE2 LYS 42 -2.900 -42.240 4.392 352 1HZ LYS 42 HZ3 LYS 42 -0.610 -41.826 3.644 353 2HZ LYS 42 HZ1 LYS 42 -1.131 -41.460 2.064 354 3HZ LYS 42 HZ2 LYS 42 -1.611 -40.485 3.381 355 H ILE 43 HN ILE 43 1.194 -47.898 0.595 356 HA ILE 43 HA ILE 43 -0.616 -49.998 1.194 357 HB ILE 43 HB ILE 43 2.212 -50.046 0.151 358 1HG1 ILE 43 HG11 ILE 43 -0.369 -50.527 -1.353 359 2HG1 ILE 43 HG12 ILE 43 0.317 -48.929 -1.201 360 1HG2 ILE 43 HG23 ILE 43 0.235 -52.355 0.224 361 2HG2 ILE 43 HG21 ILE 43 1.779 -52.371 -0.621 362 3HG2 ILE 43 HG22 ILE 43 1.744 -52.272 1.123 363 1HD1 ILE 43 HD11 ILE 43 2.382 -49.708 -2.361 364 2HD1 ILE 43 HD12 ILE 43 1.652 -51.294 -2.573 365 3HD1 ILE 43 HD13 ILE 43 0.939 -49.893 -3.351 366 H GLY 44 HN GLY 44 2.315 -49.025 3.015 367 1HA GLY 44 HA1 GLY 44 1.182 -50.058 5.388 368 2HA GLY 44 HA2 GLY 44 2.357 -51.213 4.806 369 HA PRO 45 HA PRO 45 4.344 -47.784 7.527 370 1HB PRO 45 HB1 PRO 45 5.040 -49.279 9.717 371 2HB PRO 45 HB2 PRO 45 3.511 -48.407 9.546 372 1HG PRO 45 HG1 PRO 45 4.069 -51.336 8.981 373 2HG PRO 45 HG2 PRO 45 2.745 -50.611 9.903 374 1HD PRO 45 HD1 PRO 45 2.360 -51.325 7.360 375 2HD PRO 45 HD2 PRO 45 1.637 -49.825 7.982 376 H LYS 46 HN LYS 46 5.576 -51.144 7.366 377 HA LYS 46 HA LYS 46 8.301 -50.475 7.044 378 1HB LYS 46 HB1 LYS 46 6.691 -52.934 6.477 379 2HB LYS 46 HB2 LYS 46 8.307 -52.808 5.816 380 1HG LYS 46 HG1 LYS 46 9.053 -52.275 8.253 381 2HG LYS 46 HG2 LYS 46 7.479 -52.912 8.721 382 1HD LYS 46 HD1 LYS 46 7.940 -55.041 7.697 383 2HD LYS 46 HD2 LYS 46 9.367 -54.424 6.889 384 1HE LYS 46 HE1 LYS 46 10.271 -54.001 9.301 385 2HE LYS 46 HE2 LYS 46 8.987 -55.108 9.796 386 1HZ LYS 46 HZ3 LYS 46 9.798 -56.685 8.136 387 2HZ LYS 46 HZ1 LYS 46 11.077 -55.636 7.706 388 3HZ LYS 46 HZ2 LYS 46 11.015 -56.340 9.263 389 H CYS 47 HN CYS 47 5.709 -50.506 4.698 390 HA CYS 47 HA CYS 47 7.285 -50.377 2.315 391 1HB CYS 47 HB1 CYS 47 4.760 -50.867 2.571 392 2HB CYS 47 HB2 CYS 47 4.552 -49.155 2.732 393 H VAL 48 HN VAL 48 5.454 -47.574 3.857 394 HA VAL 48 HA VAL 48 6.901 -45.672 2.828 395 HB VAL 48 HB VAL 48 6.539 -44.798 5.600 396 1HG1 VAL 48 HG12 VAL 48 6.412 -43.372 3.448 397 2HG1 VAL 48 HG13 VAL 48 5.000 -44.353 3.013 398 3HG1 VAL 48 HG11 VAL 48 4.923 -43.245 4.391 399 1HG2 VAL 48 HG23 VAL 48 5.065 -46.511 5.920 400 2HG2 VAL 48 HG21 VAL 48 4.223 -44.959 5.884 401 3HG2 VAL 48 HG22 VAL 48 4.104 -46.063 4.510 402 H LYS 49 HN LYS 49 8.042 -47.350 5.787 403 HA LYS 49 HA LYS 49 10.433 -45.915 6.159 404 1HB LYS 49 HB1 LYS 49 9.369 -47.626 7.693 405 2HB LYS 49 HB2 LYS 49 10.079 -48.866 6.693 406 1HG LYS 49 HG1 LYS 49 11.602 -48.751 8.419 407 2HG LYS 49 HG2 LYS 49 12.361 -47.705 7.248 408 1HD LYS 49 HD1 LYS 49 10.562 -46.478 9.316 409 2HD LYS 49 HD2 LYS 49 12.132 -47.039 9.814 410 1HE LYS 49 HE1 LYS 49 11.701 -44.984 7.628 411 2HE LYS 49 HE2 LYS 49 11.998 -44.597 9.314 412 1HZ LYS 49 HZ3 LYS 49 14.082 -45.896 9.157 413 2HZ LYS 49 HZ1 LYS 49 13.838 -46.136 7.489 414 3HZ LYS 49 HZ2 LYS 49 14.076 -44.601 8.066 415 H ALA 50 HN ALA 50 10.240 -49.047 4.337 416 HA ALA 50 HA ALA 50 12.810 -49.133 3.126 417 1HB ALA 50 HB1 ALA 50 11.151 -50.933 3.143 418 2HB ALA 50 HB2 ALA 50 10.134 -50.037 2.037 419 3HB ALA 50 HB3 ALA 50 11.704 -50.640 1.516 420 H PHE 51 HN PHE 51 9.789 -47.600 1.878 421 HA PHE 51 HA PHE 51 10.717 -46.396 -0.455 422 1HB PHE 51 HB1 PHE 51 8.325 -46.589 0.563 423 2HB PHE 51 HB2 PHE 51 8.688 -45.115 1.417 424 HD1 PHE 51 HD1 PHE 51 9.456 -43.035 -0.173 425 HD2 PHE 51 HD2 PHE 51 7.131 -46.343 -1.485 426 HE1 PHE 51 HE1 PHE 51 8.996 -41.902 -2.290 427 HE2 PHE 51 HE2 PHE 51 6.656 -45.280 -3.487 428 HZ PHE 51 HZ PHE 51 7.616 -43.006 -3.993 429 H LYS 52 HN LYS 52 10.422 -44.711 2.747 430 HA LYS 52 HA LYS 52 11.644 -42.338 1.891 431 1HB LYS 52 HB1 LYS 52 11.013 -43.554 4.556 432 2HB LYS 52 HB2 LYS 52 12.057 -42.158 4.534 433 1HG LYS 52 HG1 LYS 52 9.323 -42.195 3.198 434 2HG LYS 52 HG2 LYS 52 9.535 -41.756 4.876 435 1HD LYS 52 HD1 LYS 52 10.925 -40.296 2.602 436 2HD LYS 52 HD2 LYS 52 9.374 -39.810 3.249 437 1HE LYS 52 HE1 LYS 52 10.308 -39.319 5.396 438 2HE LYS 52 HE2 LYS 52 11.850 -40.054 4.979 439 1HZ LYS 52 HZ1 LYS 52 11.883 -38.386 3.086 440 2HZ LYS 52 HZ2 LYS 52 10.687 -37.478 3.910 441 3HZ LYS 52 HZ3 LYS 52 12.245 -37.809 4.617 442 H ASP 53 HN ASP 53 13.214 -45.199 3.398 443 HA ASP 53 HA ASP 53 15.766 -43.898 3.616 444 1HB ASP 53 HB1 ASP 53 15.014 -46.833 3.685 445 2HB ASP 53 HB2 ASP 53 16.625 -46.217 4.014 446 H CYS 54 HN CYS 54 14.602 -46.272 1.137 447 HA CYS 54 HA CYS 54 16.734 -45.899 -0.662 448 1HB CYS 54 HB1 CYS 54 13.921 -46.833 -0.882 449 2HB CYS 54 HB2 CYS 54 14.749 -46.446 -2.360 450 H CYS 55 HN CYS 55 13.744 -43.902 -0.378 451 HA CYS 55 HA CYS 55 14.314 -42.189 -2.530 452 1HB CYS 55 HB1 CYS 55 12.159 -42.471 -1.178 453 2HB CYS 55 HB2 CYS 55 12.844 -41.319 -0.055 454 OH TYR 56 OH TYR 56 13.714 -37.711 5.432 455 H TYR 56 HN TYR 56 15.338 -41.755 0.938 456 HA TYR 56 HA TYR 56 16.942 -39.505 0.422 457 1HB TYR 56 HB1 TYR 56 17.316 -41.694 2.470 458 2HB TYR 56 HB2 TYR 56 18.361 -40.290 2.390 459 HD1 TYR 56 HD1 TYR 56 16.047 -41.427 4.434 460 HD2 TYR 56 HD2 TYR 56 16.443 -38.035 1.900 461 HE1 TYR 56 HE1 TYR 56 14.524 -40.168 5.872 462 HE2 TYR 56 HE2 TYR 56 14.874 -36.805 3.320 463 HH TYR 56 HH TYR 56 13.536 -38.211 6.236 464 H ILE 57 HN ILE 57 17.970 -42.951 0.056 465 HA ILE 57 HA ILE 57 20.503 -42.324 -1.060 466 HB ILE 57 HB ILE 57 18.762 -44.673 -1.803 467 1HG1 ILE 57 HG11 ILE 57 18.964 -44.861 0.499 468 2HG1 ILE 57 HG12 ILE 57 20.163 -45.956 -0.143 469 1HG2 ILE 57 HG23 ILE 57 21.771 -44.406 -2.090 470 2HG2 ILE 57 HG21 ILE 57 20.858 -45.891 -2.330 471 3HG2 ILE 57 HG22 ILE 57 20.605 -44.526 -3.400 472 1HD1 ILE 57 HD13 ILE 57 21.933 -44.242 0.342 473 2HD1 ILE 57 HD11 ILE 57 20.678 -43.214 1.032 474 3HD1 ILE 57 HD12 ILE 57 21.062 -44.755 1.792 475 H ALA 58 HN ALA 58 17.482 -42.709 -2.752 476 HA ALA 58 HA ALA 58 18.209 -42.042 -5.394 477 1HB ALA 58 HB1 ALA 58 15.994 -42.819 -4.800 478 2HB ALA 58 HB2 ALA 58 15.647 -41.280 -4.022 479 3HB ALA 58 HB3 ALA 58 15.938 -41.349 -5.758 480 H ASN 59 HN ASN 59 17.138 -39.667 -2.907 481 HA ASN 59 HA ASN 59 17.867 -37.375 -4.439 482 1HB ASN 59 HB1 ASN 59 17.335 -37.688 -1.483 483 2HB ASN 59 HB2 ASN 59 17.726 -36.143 -2.231 484 1HD2 ASN 59 HD21 ASN 59 14.018 -37.619 -2.650 485 2HD2 ASN 59 HD22 ASN 59 15.260 -38.762 -2.233 486 H GLN 60 HN GLN 60 19.821 -39.205 -2.060 487 HA GLN 60 HA GLN 60 22.133 -37.609 -2.149 488 1HB GLN 60 HB1 GLN 60 21.579 -39.620 -0.657 489 2HB GLN 60 HB2 GLN 60 22.071 -40.634 -1.993 490 1HG GLN 60 HG1 GLN 60 24.339 -39.259 -1.855 491 2HG GLN 60 HG2 GLN 60 23.760 -38.829 -0.254 492 1HE2 GLN 60 HE21 GLN 60 25.284 -42.476 -0.876 493 2HE2 GLN 60 HE22 GLN 60 25.246 -41.276 -2.148 494 H VAL 61 HN VAL 61 21.413 -40.467 -4.286 495 HA VAL 61 HA VAL 61 23.698 -39.987 -5.913 496 HB VAL 61 HB VAL 61 22.551 -42.171 -5.622 497 1HG1 VAL 61 HG13 VAL 61 20.255 -41.640 -6.174 498 2HG1 VAL 61 HG11 VAL 61 20.701 -41.240 -7.829 499 3HG1 VAL 61 HG12 VAL 61 20.872 -42.889 -7.246 500 1HG2 VAL 61 HG23 VAL 61 24.397 -41.930 -7.162 501 2HG2 VAL 61 HG21 VAL 61 23.193 -43.004 -7.859 502 3HG2 VAL 61 HG22 VAL 61 23.324 -41.343 -8.427 503 NH1 ARG 62 NH1 ARG 62 14.189 -36.859 -10.233 504 NH2 ARG 62 NH2 ARG 62 15.339 -38.699 -10.106 505 H ARG 62 HN ARG 62 20.371 -38.817 -6.269 506 HA ARG 62 HA ARG 62 20.530 -37.483 -8.716 507 1HB ARG 62 HB1 ARG 62 18.657 -37.734 -6.801 508 2HB ARG 62 HB2 ARG 62 19.239 -36.166 -6.328 509 1HG ARG 62 HG1 ARG 62 17.376 -35.705 -7.661 510 2HG ARG 62 HG2 ARG 62 18.723 -35.413 -8.748 511 1HD ARG 62 HD1 ARG 62 18.299 -37.346 -10.005 512 2HD ARG 62 HD2 ARG 62 17.472 -38.142 -8.664 513 HE ARG 62 HE ARG 62 16.198 -35.732 -9.803 514 1HH1 ARG 62 HH12 ARG 62 14.110 -35.877 -10.160 515 2HH1 ARG 62 HH11 ARG 62 13.424 -37.439 -10.481 516 1HH2 ARG 62 HH22 ARG 62 16.206 -39.156 -10.004 517 2HH2 ARG 62 HH21 ARG 62 14.473 -39.203 -10.280 518 H ALA 63 HN ALA 63 21.679 -36.296 -5.540 519 HA ALA 63 HA ALA 63 22.875 -33.910 -6.591 520 1HB ALA 63 HB3 ALA 63 22.192 -34.095 -4.249 521 2HB ALA 63 HB1 ALA 63 23.337 -35.406 -3.987 522 3HB ALA 63 HB2 ALA 63 23.921 -33.780 -4.341 523 H GLU 64 HN GLU 64 24.320 -37.073 -5.674 524 HA GLU 64 HA GLU 64 26.984 -36.413 -6.385 525 1HB GLU 64 HB1 GLU 64 25.677 -39.138 -6.239 526 2HB GLU 64 HB2 GLU 64 27.400 -38.863 -6.394 527 1HG GLU 64 HG1 GLU 64 27.469 -37.740 -4.195 528 2HG GLU 64 HG2 GLU 64 25.723 -37.900 -4.036 529 H GLN 65 HN GLN 65 24.471 -37.953 -8.419 530 HA GLN 65 HA GLN 65 24.212 -38.103 -10.620 531 1HB GLN 65 HB1 GLN 65 26.305 -35.946 -10.707 532 2HB GLN 65 HB2 GLN 65 25.454 -36.507 -12.127 533 1HG GLN 65 HG1 GLN 65 23.399 -35.588 -11.462 534 2HG GLN 65 HG2 GLN 65 23.793 -35.604 -9.755 535 1HE2 GLN 65 HE21 GLN 65 25.347 -32.428 -9.894 536 2HE2 GLN 65 HE22 GLN 65 25.161 -33.855 -8.912 Start of MODEL 29 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 24.434 -42.128 2.278 2 2H MET 1 HT3 MET 1 26.104 -42.496 2.240 3 3H MET 1 HT2 MET 1 25.380 -41.732 0.917 4 HA MET 1 HA MET 1 24.071 -43.668 0.450 5 1HB MET 1 HB1 MET 1 26.424 -43.096 -0.412 6 2HB MET 1 HB2 MET 1 27.018 -44.309 0.695 7 1HG MET 1 HG1 MET 1 26.883 -45.294 -1.483 8 2HG MET 1 HG2 MET 1 25.656 -46.029 -0.484 9 1HE MET 1 HE1 MET 1 26.588 -44.307 -3.636 10 2HE MET 1 HE2 MET 1 25.120 -43.634 -4.309 11 3HE MET 1 HE3 MET 1 25.924 -42.791 -2.990 12 H LEU 2 HN LEU 2 22.931 -44.191 2.535 13 HA LEU 2 HA LEU 2 24.120 -46.028 4.385 14 1HB LEU 2 HB1 LEU 2 21.270 -45.074 4.148 15 2HB LEU 2 HB2 LEU 2 21.877 -46.060 5.450 16 HG LEU 2 HG LEU 2 22.911 -43.273 4.847 17 1HD1 LEU 2 HD13 LEU 2 20.529 -43.231 5.537 18 2HD1 LEU 2 HD11 LEU 2 20.914 -44.216 6.942 19 3HD1 LEU 2 HD12 LEU 2 21.561 -42.585 6.805 20 1HD2 LEU 2 HD22 LEU 2 23.274 -45.043 7.298 21 2HD2 LEU 2 HD23 LEU 2 24.531 -44.654 6.128 22 3HD2 LEU 2 HD21 LEU 2 23.847 -43.388 7.128 23 H GLN 3 HN GLN 3 24.745 -47.501 2.776 24 HA GLN 3 HA GLN 3 23.238 -49.382 1.401 25 1HB GLN 3 HB1 GLN 3 25.877 -49.803 2.850 26 2HB GLN 3 HB2 GLN 3 25.218 -50.892 1.652 27 1HG GLN 3 HG1 GLN 3 25.997 -48.006 1.063 28 2HG GLN 3 HG2 GLN 3 27.024 -49.395 0.785 29 1HE2 GLN 3 HE21 GLN 3 24.114 -48.652 -1.887 30 2HE2 GLN 3 HE22 GLN 3 24.160 -47.697 -0.437 31 H LYS 4 HN LYS 4 24.225 -49.599 4.786 32 HA LYS 4 HA LYS 4 23.071 -52.088 5.402 33 1HB LYS 4 HB1 LYS 4 23.686 -49.725 7.190 34 2HB LYS 4 HB2 LYS 4 23.194 -51.289 7.784 35 1HG LYS 4 HG1 LYS 4 25.732 -50.709 6.212 36 2HG LYS 4 HG2 LYS 4 25.634 -50.968 7.935 37 1HD LYS 4 HD1 LYS 4 25.000 -53.081 5.841 38 2HD LYS 4 HD2 LYS 4 26.514 -52.919 6.688 39 1HE LYS 4 HE1 LYS 4 25.492 -53.464 8.807 40 2HE LYS 4 HE2 LYS 4 23.880 -53.453 8.091 41 1HZ LYS 4 HZ2 LYS 4 26.087 -55.238 7.228 42 2HZ LYS 4 HZ3 LYS 4 24.785 -55.711 8.201 43 3HZ LYS 4 HZ1 LYS 4 24.508 -55.268 6.572 44 H LYS 5 HN LYS 5 21.484 -48.908 5.322 45 HA LYS 5 HA LYS 5 19.100 -49.983 6.497 46 1HB LYS 5 HB1 LYS 5 19.981 -47.303 5.706 47 2HB LYS 5 HB2 LYS 5 18.294 -47.580 5.356 48 1HG LYS 5 HG1 LYS 5 19.540 -48.092 8.091 49 2HG LYS 5 HG2 LYS 5 18.725 -46.599 7.643 50 1HD LYS 5 HD1 LYS 5 16.688 -47.953 7.071 51 2HD LYS 5 HD2 LYS 5 17.478 -49.375 7.694 52 1HE LYS 5 HE1 LYS 5 17.504 -48.527 9.921 53 2HE LYS 5 HE2 LYS 5 16.889 -46.956 9.377 54 1HZ LYS 5 HZ2 LYS 5 14.978 -48.088 8.386 55 2HZ LYS 5 HZ3 LYS 5 15.490 -49.625 8.972 56 3HZ LYS 5 HZ1 LYS 5 15.028 -48.388 10.064 57 H ILE 6 HN ILE 6 20.003 -49.225 3.131 58 HA ILE 6 HA ILE 6 17.679 -50.288 1.897 59 HB ILE 6 HB ILE 6 20.423 -51.055 0.809 60 1HG1 ILE 6 HG11 ILE 6 19.086 -48.469 0.045 61 2HG1 ILE 6 HG12 ILE 6 20.367 -48.554 1.240 62 1HG2 ILE 6 HG21 ILE 6 18.448 -52.098 -0.273 63 2HG2 ILE 6 HG22 ILE 6 17.729 -50.526 -0.559 64 3HG2 ILE 6 HG23 ILE 6 19.197 -50.995 -1.392 65 1HD1 ILE 6 HD11 ILE 6 21.881 -49.576 -0.466 66 2HD1 ILE 6 HD12 ILE 6 20.628 -49.386 -1.683 67 3HD1 ILE 6 HD13 ILE 6 21.337 -47.973 -0.928 68 H GLU 7 HN GLU 7 20.644 -52.022 2.925 69 HA GLU 7 HA GLU 7 19.736 -54.654 2.523 70 1HB GLU 7 HB1 GLU 7 22.093 -53.777 2.869 71 2HB GLU 7 HB2 GLU 7 21.730 -53.701 4.581 72 1HG GLU 7 HG1 GLU 7 21.360 -56.184 4.604 73 2HG GLU 7 HG2 GLU 7 21.779 -56.243 2.898 74 H GLU 8 HN GLU 8 19.050 -52.605 5.435 75 HA GLU 8 HA GLU 8 17.899 -54.769 6.881 76 1HB GLU 8 HB1 GLU 8 18.707 -52.602 7.813 77 2HB GLU 8 HB2 GLU 8 17.337 -51.792 7.105 78 1HG GLU 8 HG1 GLU 8 16.749 -54.050 9.017 79 2HG GLU 8 HG2 GLU 8 17.408 -52.583 9.698 80 H GLU 9 HN GLU 9 16.245 -52.409 4.700 81 HA GLU 9 HA GLU 9 13.639 -53.886 4.961 82 1HB GLU 9 HB1 GLU 9 14.402 -51.526 3.280 83 2HB GLU 9 HB2 GLU 9 12.789 -52.165 3.534 84 1HG GLU 9 HG1 GLU 9 14.551 -51.145 5.825 85 2HG GLU 9 HG2 GLU 9 13.477 -50.102 4.962 86 H ALA 10 HN ALA 10 15.720 -53.293 2.178 87 HA ALA 10 HA ALA 10 14.893 -55.723 0.822 88 1HB ALA 10 HB1 ALA 10 17.302 -53.956 0.472 89 2HB ALA 10 HB2 ALA 10 16.831 -55.243 -0.633 90 3HB ALA 10 HB3 ALA 10 15.766 -53.848 -0.394 91 H ALA 11 HN ALA 11 16.918 -55.882 3.733 92 HA ALA 11 HA ALA 11 17.697 -58.509 3.210 93 1HB ALA 11 HB1 ALA 11 18.078 -57.365 5.387 94 2HB ALA 11 HB2 ALA 11 16.366 -57.458 5.753 95 3HB ALA 11 HB3 ALA 11 17.317 -58.943 5.629 96 H LYS 12 HN LYS 12 14.488 -57.235 3.725 97 HA LYS 12 HA LYS 12 13.261 -59.782 4.363 98 1HB LYS 12 HB1 LYS 12 12.064 -57.022 3.982 99 2HB LYS 12 HB2 LYS 12 11.245 -58.403 4.680 100 1HG LYS 12 HG1 LYS 12 12.889 -58.403 6.566 101 2HG LYS 12 HG2 LYS 12 13.678 -57.004 5.861 102 1HD LYS 12 HD1 LYS 12 11.436 -55.793 6.043 103 2HD LYS 12 HD2 LYS 12 10.879 -57.150 7.000 104 1HE LYS 12 HE1 LYS 12 11.566 -55.594 8.610 105 2HE LYS 12 HE2 LYS 12 12.928 -56.703 8.514 106 1HZ LYS 12 HZ2 LYS 12 12.716 -54.084 7.031 107 2HZ LYS 12 HZ3 LYS 12 13.681 -54.294 8.380 108 3HZ LYS 12 HZ1 LYS 12 14.072 -55.139 6.976 109 OH TYR 13 OH TYR 13 16.207 -57.381 -4.213 110 H TYR 13 HN TYR 13 14.305 -60.231 2.061 111 HA TYR 13 HA TYR 13 12.733 -59.747 -0.264 112 1HB TYR 13 HB1 TYR 13 15.140 -61.307 0.449 113 2HB TYR 13 HB2 TYR 13 14.191 -62.042 -0.822 114 HD1 TYR 13 HD1 TYR 13 14.886 -61.472 -2.953 115 HD2 TYR 13 HD2 TYR 13 15.240 -58.437 0.038 116 HE1 TYR 13 HE1 TYR 13 15.707 -59.874 -4.633 117 HE2 TYR 13 HE2 TYR 13 16.048 -56.905 -1.652 118 HH TYR 13 HH TYR 13 16.396 -56.492 -3.825 119 H LYS 14 HN LYS 14 12.227 -62.071 2.238 120 HA LYS 14 HA LYS 14 10.157 -63.588 1.041 121 1HB LYS 14 HB1 LYS 14 10.475 -62.564 3.894 122 2HB LYS 14 HB2 LYS 14 9.270 -63.729 3.391 123 1HG LYS 14 HG1 LYS 14 10.998 -65.346 2.786 124 2HG LYS 14 HG2 LYS 14 12.260 -64.180 3.098 125 1HD LYS 14 HD1 LYS 14 12.182 -65.681 4.966 126 2HD LYS 14 HD2 LYS 14 11.622 -64.118 5.494 127 1HE LYS 14 HE1 LYS 14 10.288 -65.807 6.542 128 2HE LYS 14 HE2 LYS 14 9.269 -64.936 5.411 129 1HZ LYS 14 HZ2 LYS 14 10.646 -67.506 4.857 130 2HZ LYS 14 HZ3 LYS 14 8.995 -67.345 5.202 131 3HZ LYS 14 HZ1 LYS 14 9.637 -66.677 3.787 132 OH TYR 15 OH TYR 15 6.620 -62.223 7.459 133 H TYR 15 HN TYR 15 10.135 -60.306 2.390 134 HA TYR 15 HA TYR 15 7.289 -59.972 1.717 135 1HB TYR 15 HB1 TYR 15 9.106 -58.287 3.460 136 2HB TYR 15 HB2 TYR 15 7.419 -57.948 3.128 137 HD1 TYR 15 HD1 TYR 15 9.528 -59.445 5.492 138 HD2 TYR 15 HD2 TYR 15 5.810 -60.125 3.558 139 HE1 TYR 15 HE1 TYR 15 8.854 -60.970 7.305 140 HE2 TYR 15 HE2 TYR 15 5.140 -61.625 5.382 141 HH TYR 15 HH TYR 15 5.738 -62.566 7.307 142 H ALA 16 HN ALA 16 8.005 -60.210 -0.320 143 HA ALA 16 HA ALA 16 9.722 -58.716 -1.885 144 1HB ALA 16 HB1 ALA 16 7.172 -60.158 -2.677 145 2HB ALA 16 HB2 ALA 16 8.443 -59.655 -3.788 146 3HB ALA 16 HB3 ALA 16 8.784 -60.857 -2.550 147 H MET 17 HN MET 17 6.344 -58.047 -1.246 148 HA MET 17 HA MET 17 6.014 -55.792 -2.945 149 1HB MET 17 HB1 MET 17 4.511 -56.605 -0.438 150 2HB MET 17 HB2 MET 17 4.024 -55.306 -1.501 151 1HG MET 17 HG1 MET 17 4.265 -58.208 -2.367 152 2HG MET 17 HG2 MET 17 2.773 -57.444 -1.872 153 1HE MET 17 HE3 MET 17 1.894 -55.112 -3.194 154 2HE MET 17 HE1 MET 17 1.572 -55.526 -4.868 155 3HE MET 17 HE2 MET 17 1.101 -56.649 -3.604 156 H LEU 18 HN LEU 18 7.416 -56.090 0.259 157 HA LEU 18 HA LEU 18 7.134 -53.224 0.806 158 1HB LEU 18 HB1 LEU 18 8.202 -55.406 2.620 159 2HB LEU 18 HB2 LEU 18 7.790 -53.763 3.078 160 HG LEU 18 HG LEU 18 5.824 -55.860 2.090 161 1HD1 LEU 18 HD11 LEU 18 6.610 -56.358 4.353 162 2HD1 LEU 18 HD12 LEU 18 6.211 -54.731 4.862 163 3HD1 LEU 18 HD13 LEU 18 4.932 -55.836 4.380 164 1HD2 LEU 18 HD21 LEU 18 5.288 -53.062 3.110 165 2HD2 LEU 18 HD22 LEU 18 5.066 -53.606 1.454 166 3HD2 LEU 18 HD23 LEU 18 4.050 -54.262 2.735 167 H LYS 19 HN LYS 19 9.999 -55.554 0.800 168 HA LYS 19 HA LYS 19 11.770 -53.533 0.190 169 1HB LYS 19 HB1 LYS 19 13.233 -55.146 -0.767 170 2HB LYS 19 HB2 LYS 19 12.379 -55.915 0.545 171 1HG LYS 19 HG1 LYS 19 12.242 -57.628 -0.947 172 2HG LYS 19 HG2 LYS 19 10.815 -56.758 -1.469 173 1HD LYS 19 HD1 LYS 19 12.098 -55.690 -3.290 174 2HD LYS 19 HD2 LYS 19 13.557 -56.465 -2.735 175 1HE LYS 19 HE1 LYS 19 12.433 -58.687 -3.211 176 2HE LYS 19 HE2 LYS 19 11.104 -57.773 -3.933 177 1HZ LYS 19 HZ2 LYS 19 12.700 -56.687 -5.386 178 2HZ LYS 19 HZ3 LYS 19 13.974 -57.565 -4.700 179 3HZ LYS 19 HZ1 LYS 19 12.783 -58.367 -5.601 180 H LYS 20 HN LYS 20 9.479 -54.875 -2.407 181 HA LYS 20 HA LYS 20 10.648 -53.142 -4.321 182 1HB LYS 20 HB1 LYS 20 9.159 -53.770 -5.852 183 2HB LYS 20 HB2 LYS 20 9.080 -55.122 -4.753 184 1HG LYS 20 HG1 LYS 20 6.867 -54.907 -5.039 185 2HG LYS 20 HG2 LYS 20 7.007 -53.704 -3.782 186 1HD LYS 20 HD1 LYS 20 7.346 -52.025 -5.801 187 2HD LYS 20 HD2 LYS 20 6.665 -53.323 -6.758 188 1HE LYS 20 HE1 LYS 20 4.822 -51.968 -6.213 189 2HE LYS 20 HE2 LYS 20 4.702 -53.324 -5.092 190 1HZ LYS 20 HZ3 LYS 20 5.904 -51.970 -3.437 191 2HZ LYS 20 HZ1 LYS 20 5.997 -50.648 -4.514 192 3HZ LYS 20 HZ2 LYS 20 4.492 -51.186 -3.911 193 H CYS 21 HN CYS 21 8.072 -52.357 -1.854 194 HA CYS 21 HA CYS 21 7.823 -49.666 -2.559 195 1HB CYS 21 HB1 CYS 21 7.853 -50.967 0.150 196 2HB CYS 21 HB2 CYS 21 7.471 -49.279 -0.098 197 H CYS 22 HN CYS 22 10.479 -51.045 -0.524 198 HA CYS 22 HA CYS 22 12.292 -48.840 -0.549 199 1HB CYS 22 HB1 CYS 22 12.544 -51.381 0.249 200 2HB CYS 22 HB2 CYS 22 13.660 -51.262 -1.065 201 OH TYR 23 OH TYR 23 16.561 -54.916 -3.380 202 H TYR 23 HN TYR 23 11.864 -51.015 -3.185 203 HA TYR 23 HA TYR 23 13.640 -49.425 -4.762 204 1HB TYR 23 HB1 TYR 23 11.833 -51.655 -5.581 205 2HB TYR 23 HB2 TYR 23 13.167 -51.002 -6.510 206 HD1 TYR 23 HD1 TYR 23 14.324 -51.018 -2.922 207 HD2 TYR 23 HD2 TYR 23 13.343 -53.633 -6.208 208 HE1 TYR 23 HE1 TYR 23 16.079 -52.554 -2.301 209 HE2 TYR 23 HE2 TYR 23 15.054 -55.229 -5.416 210 HH TYR 23 HH TYR 23 17.085 -54.514 -2.680 211 H ASP 24 HN ASP 24 10.073 -49.396 -4.704 212 HA ASP 24 HA ASP 24 9.658 -47.226 -6.458 213 1HB ASP 24 HB1 ASP 24 8.204 -47.648 -3.813 214 2HB ASP 24 HB2 ASP 24 7.715 -46.611 -5.128 215 H GLY 25 HN GLY 25 10.556 -47.017 -2.997 216 1HA GLY 25 HA1 GLY 25 10.962 -44.264 -2.765 217 2HA GLY 25 HA2 GLY 25 11.843 -45.467 -1.859 218 H ALA 26 HN ALA 26 13.425 -46.655 -3.591 219 HA ALA 26 HA ALA 26 15.566 -44.935 -4.129 220 1HB ALA 26 HB3 ALA 26 15.837 -47.336 -3.812 221 2HB ALA 26 HB1 ALA 26 14.984 -47.658 -5.320 222 3HB ALA 26 HB2 ALA 26 16.546 -46.847 -5.346 223 OH TYR 27 OH TYR 27 16.078 -49.739 -11.138 224 H TYR 27 HN TYR 27 13.189 -46.157 -6.592 225 HA TYR 27 HA TYR 27 14.361 -44.520 -8.647 226 1HB TYR 27 HB1 TYR 27 11.844 -46.167 -8.518 227 2HB TYR 27 HB2 TYR 27 12.195 -45.155 -9.903 228 HD1 TYR 27 HD1 TYR 27 14.199 -45.653 -11.334 229 HD2 TYR 27 HD2 TYR 27 13.168 -48.193 -8.092 230 HE1 TYR 27 HE1 TYR 27 15.688 -47.387 -12.223 231 HE2 TYR 27 HE2 TYR 27 14.667 -49.939 -9.003 232 HH TYR 27 HH TYR 27 16.502 -49.439 -11.943 233 NH1 ARG 28 NH1 ARG 28 13.510 -35.180 -3.275 234 NH2 ARG 28 NH2 ARG 28 15.059 -36.580 -2.577 235 H ARG 28 HN ARG 28 14.335 -42.628 -7.136 236 HA ARG 28 HA ARG 28 11.970 -40.970 -7.045 237 1HB ARG 28 HB1 ARG 28 13.802 -40.983 -5.375 238 2HB ARG 28 HB2 ARG 28 14.900 -40.323 -6.576 239 1HG ARG 28 HG1 ARG 28 13.575 -38.243 -6.670 240 2HG ARG 28 HG2 ARG 28 12.399 -38.930 -5.560 241 1HD ARG 28 HD1 ARG 28 14.149 -39.066 -3.821 242 2HD ARG 28 HD2 ARG 28 15.295 -38.310 -4.944 243 HE ARG 28 HE ARG 28 12.899 -36.743 -4.790 244 1HH1 ARG 28 HH12 ARG 28 12.753 -35.020 -3.932 245 2HH1 ARG 28 HH11 ARG 28 13.759 -34.520 -2.578 246 1HH2 ARG 28 HH22 ARG 28 15.469 -37.470 -2.689 247 2HH2 ARG 28 HH21 ARG 28 15.371 -35.947 -1.855 248 H ASN 29 HN ASN 29 11.543 -39.001 -8.215 249 HA ASN 29 HA ASN 29 13.157 -38.557 -10.648 250 1HB ASN 29 HB1 ASN 29 11.229 -40.099 -11.105 251 2HB ASN 29 HB2 ASN 29 10.121 -38.811 -10.686 252 1HD2 ASN 29 HD21 ASN 29 10.077 -38.116 -14.062 253 2HD2 ASN 29 HD22 ASN 29 9.479 -37.448 -12.572 254 H ASP 30 HN ASP 30 10.375 -36.644 -10.894 255 HA ASP 30 HA ASP 30 11.772 -34.232 -10.321 256 1HB ASP 30 HB1 ASP 30 9.582 -33.202 -11.065 257 2HB ASP 30 HB2 ASP 30 10.299 -34.319 -12.213 258 H ASP 31 HN ASP 31 10.388 -36.176 -8.056 259 HA ASP 31 HA ASP 31 8.796 -34.294 -6.592 260 1HB ASP 31 HB1 ASP 31 8.660 -36.136 -4.887 261 2HB ASP 31 HB2 ASP 31 8.092 -36.541 -6.494 262 H GLU 32 HN GLU 32 9.781 -32.622 -5.842 263 HA GLU 32 HA GLU 32 12.260 -32.349 -4.581 264 1HB GLU 32 HB1 GLU 32 9.754 -30.700 -4.138 265 2HB GLU 32 HB2 GLU 32 11.375 -30.224 -3.679 266 1HG GLU 32 HG1 GLU 32 10.444 -30.681 -6.561 267 2HG GLU 32 HG2 GLU 32 10.655 -29.122 -5.791 268 H THR 33 HN THR 33 9.159 -33.204 -3.029 269 HA THR 33 HA THR 33 10.767 -34.156 -0.747 270 HB THR 33 HB THR 33 8.741 -34.104 0.676 271 HG1 THR 33 HG1 THR 33 7.624 -32.349 -1.226 272 1HG2 THR 33 HG21 THR 33 9.498 -31.396 -0.436 273 2HG2 THR 33 HG22 THR 33 8.658 -31.707 1.082 274 3HG2 THR 33 HG23 THR 33 10.320 -32.255 0.865 275 H CYS 34 HN CYS 34 10.675 -36.236 -0.249 276 HA CYS 34 HA CYS 34 9.555 -38.278 -1.812 277 1HB CYS 34 HB1 CYS 34 10.471 -38.229 1.093 278 2HB CYS 34 HB2 CYS 34 10.087 -39.695 0.224 279 H GLU 35 HN GLU 35 8.305 -36.578 0.927 280 HA GLU 35 HA GLU 35 6.351 -38.444 1.810 281 1HB GLU 35 HB1 GLU 35 6.623 -35.438 2.310 282 2HB GLU 35 HB2 GLU 35 5.525 -36.483 3.177 283 1HG GLU 35 HG1 GLU 35 7.397 -36.097 4.618 284 2HG GLU 35 HG2 GLU 35 7.511 -37.753 4.084 285 H GLU 36 HN GLU 36 5.989 -35.724 -0.510 286 HA GLU 36 HA GLU 36 3.130 -35.938 -0.632 287 1HB GLU 36 HB1 GLU 36 5.088 -34.849 -2.694 288 2HB GLU 36 HB2 GLU 36 3.345 -34.642 -2.757 289 1HG GLU 36 HG1 GLU 36 5.229 -33.489 -0.651 290 2HG GLU 36 HG2 GLU 36 4.415 -32.605 -1.923 291 NH1 ARG 37 NH1 ARG 37 10.744 -41.540 -4.502 292 NH2 ARG 37 NH2 ARG 37 9.432 -42.693 -5.823 293 H ARG 37 HN ARG 37 5.693 -37.277 -2.620 294 HA ARG 37 HA ARG 37 4.177 -38.945 -4.328 295 1HB ARG 37 HB1 ARG 37 6.552 -38.334 -4.687 296 2HB ARG 37 HB2 ARG 37 7.018 -39.294 -3.299 297 1HG ARG 37 HG1 ARG 37 6.561 -41.325 -4.372 298 2HG ARG 37 HG2 ARG 37 5.531 -40.593 -5.585 299 1HD ARG 37 HD1 ARG 37 7.517 -41.217 -6.706 300 2HD ARG 37 HD2 ARG 37 7.609 -39.493 -6.521 301 HE ARG 37 HE ARG 37 9.343 -39.741 -4.860 302 1HH1 ARG 37 HH12 ARG 37 10.942 -40.696 -4.020 303 2HH1 ARG 37 HH11 ARG 37 11.354 -42.328 -4.451 304 1HH2 ARG 37 HH22 ARG 37 8.648 -42.716 -6.416 305 2HH2 ARG 37 HH21 ARG 37 10.015 -43.518 -5.709 306 H ALA 38 HN ALA 38 5.797 -39.847 -1.205 307 HA ALA 38 HA ALA 38 4.262 -42.270 -1.111 308 1HB ALA 38 HB3 ALA 38 6.342 -41.149 0.676 309 2HB ALA 38 HB1 ALA 38 5.511 -42.704 0.936 310 3HB ALA 38 HB2 ALA 38 6.370 -42.443 -0.579 311 H ALA 39 HN ALA 39 3.305 -39.121 0.251 312 HA ALA 39 HA ALA 39 1.133 -40.224 1.647 313 1HB ALA 39 HB2 ALA 39 1.634 -37.819 1.636 314 2HB ALA 39 HB3 ALA 39 1.204 -37.715 -0.066 315 3HB ALA 39 HB1 ALA 39 -0.032 -38.099 1.133 316 NH1 ARG 40 NH1 ARG 40 3.193 -36.592 -5.573 317 NH2 ARG 40 NH2 ARG 40 1.851 -36.972 -7.248 318 H ARG 40 HN ARG 40 1.469 -39.715 -1.896 319 HA ARG 40 HA ARG 40 -0.985 -41.079 -2.492 320 1HB ARG 40 HB1 ARG 40 1.455 -40.437 -4.136 321 2HB ARG 40 HB2 ARG 40 0.071 -41.290 -4.806 322 1HG ARG 40 HG1 ARG 40 -1.408 -39.438 -4.370 323 2HG ARG 40 HG2 ARG 40 -0.210 -38.610 -3.396 324 1HD ARG 40 HD1 ARG 40 0.274 -39.195 -6.312 325 2HD ARG 40 HD2 ARG 40 -0.601 -37.754 -5.781 326 HE ARG 40 HE ARG 40 1.762 -37.888 -4.257 327 1HH1 ARG 40 HH12 ARG 40 3.402 -36.724 -4.617 328 2HH1 ARG 40 HH11 ARG 40 3.761 -36.062 -6.183 329 1HH2 ARG 40 HH22 ARG 40 1.029 -37.401 -7.588 330 2HH2 ARG 40 HH21 ARG 40 2.446 -36.433 -7.823 331 H ILE 41 HN ILE 41 2.331 -42.539 -2.353 332 HA ILE 41 HA ILE 41 1.318 -45.146 -2.588 333 HB ILE 41 HB ILE 41 4.119 -44.510 -1.603 334 1HG1 ILE 41 HG11 ILE 41 4.177 -45.652 -4.143 335 2HG1 ILE 41 HG12 ILE 41 2.766 -44.588 -4.245 336 1HG2 ILE 41 HG21 ILE 41 2.880 -47.031 -2.443 337 2HG2 ILE 41 HG22 ILE 41 4.633 -46.589 -2.236 338 3HG2 ILE 41 HG23 ILE 41 3.509 -46.627 -0.835 339 1HD1 ILE 41 HD11 ILE 41 5.290 -43.673 -2.992 340 2HD1 ILE 41 HD12 ILE 41 5.033 -43.527 -4.765 341 3HD1 ILE 41 HD13 ILE 41 3.987 -42.696 -3.606 342 H LYS 42 HN LYS 42 -0.121 -45.353 -1.500 343 HA LYS 42 HA LYS 42 -0.400 -45.156 1.436 344 1HB LYS 42 HB1 LYS 42 -2.538 -45.770 -0.625 345 2HB LYS 42 HB2 LYS 42 -2.813 -45.521 1.087 346 1HG LYS 42 HG1 LYS 42 -1.800 -43.195 0.791 347 2HG LYS 42 HG2 LYS 42 -1.846 -43.490 -0.937 348 1HD LYS 42 HD1 LYS 42 -4.330 -43.919 -0.716 349 2HD LYS 42 HD2 LYS 42 -4.217 -43.368 0.942 350 1HE LYS 42 HE1 LYS 42 -3.607 -41.746 -1.543 351 2HE LYS 42 HE2 LYS 42 -5.027 -41.585 -0.520 352 1HZ LYS 42 HZ2 LYS 42 -3.422 -41.120 1.342 353 2HZ LYS 42 HZ3 LYS 42 -2.161 -40.963 0.191 354 3HZ LYS 42 HZ1 LYS 42 -3.503 -39.915 0.154 355 H ILE 43 HN ILE 43 0.823 -47.671 -0.154 356 HA ILE 43 HA ILE 43 -1.061 -49.769 0.047 357 HB ILE 43 HB ILE 43 1.920 -49.842 -0.426 358 1HG1 ILE 43 HG11 ILE 43 -0.341 -50.207 -2.410 359 2HG1 ILE 43 HG12 ILE 43 0.374 -48.647 -2.096 360 1HG2 ILE 43 HG23 ILE 43 -0.071 -52.111 -0.806 361 2HG2 ILE 43 HG21 ILE 43 1.609 -52.143 -1.326 362 3HG2 ILE 43 HG22 ILE 43 1.231 -52.081 0.375 363 1HD1 ILE 43 HD13 ILE 43 2.583 -49.504 -2.865 364 2HD1 ILE 43 HD11 ILE 43 1.838 -51.053 -3.248 365 3HD1 ILE 43 HD12 ILE 43 1.346 -49.608 -4.114 366 H GLY 44 HN GLY 44 1.589 -49.000 2.346 367 1HA GLY 44 HA1 GLY 44 0.067 -50.042 4.490 368 2HA GLY 44 HA2 GLY 44 1.267 -51.231 4.044 369 HA PRO 45 HA PRO 45 2.925 -47.871 7.223 370 1HB PRO 45 HB1 PRO 45 3.013 -50.433 8.852 371 2HB PRO 45 HB2 PRO 45 2.836 -48.754 9.395 372 1HG PRO 45 HG1 PRO 45 0.658 -50.219 9.208 373 2HG PRO 45 HG2 PRO 45 0.621 -48.590 8.500 374 1HD PRO 45 HD1 PRO 45 1.061 -51.250 7.102 375 2HD PRO 45 HD2 PRO 45 -0.023 -49.910 6.665 376 H LYS 46 HN LYS 46 4.127 -51.241 7.026 377 HA LYS 46 HA LYS 46 6.864 -50.509 7.082 378 1HB LYS 46 HB1 LYS 46 5.368 -53.027 6.790 379 2HB LYS 46 HB2 LYS 46 6.886 -53.005 5.927 380 1HG LYS 46 HG1 LYS 46 6.680 -52.329 8.869 381 2HG LYS 46 HG2 LYS 46 7.002 -53.943 8.260 382 1HD LYS 46 HD1 LYS 46 9.012 -52.993 7.033 383 2HD LYS 46 HD2 LYS 46 8.738 -51.475 7.865 384 1HE LYS 46 HE1 LYS 46 8.992 -52.671 10.045 385 2HE LYS 46 HE2 LYS 46 9.393 -54.135 9.144 386 1HZ LYS 46 HZ2 LYS 46 11.175 -52.811 7.990 387 2HZ LYS 46 HZ3 LYS 46 10.825 -51.531 8.994 388 3HZ LYS 46 HZ1 LYS 46 11.441 -52.958 9.659 389 H CYS 47 HN CYS 47 4.638 -50.619 4.414 390 HA CYS 47 HA CYS 47 6.581 -50.538 2.314 391 1HB CYS 47 HB1 CYS 47 4.300 -51.153 1.767 392 2HB CYS 47 HB2 CYS 47 3.702 -49.636 2.396 393 H VAL 48 HN VAL 48 4.548 -47.722 3.519 394 HA VAL 48 HA VAL 48 6.133 -45.818 2.716 395 HB VAL 48 HB VAL 48 5.380 -45.039 5.454 396 1HG1 VAL 48 HG13 VAL 48 5.650 -43.519 3.383 397 2HG1 VAL 48 HG11 VAL 48 4.305 -44.434 2.677 398 3HG1 VAL 48 HG12 VAL 48 4.028 -43.379 4.071 399 1HG2 VAL 48 HG22 VAL 48 3.812 -46.718 5.422 400 2HG2 VAL 48 HG23 VAL 48 3.038 -45.131 5.346 401 3HG2 VAL 48 HG21 VAL 48 3.117 -46.148 3.906 402 H LYS 49 HN LYS 49 6.805 -47.558 5.751 403 HA LYS 49 HA LYS 49 9.160 -46.218 6.486 404 1HB LYS 49 HB1 LYS 49 7.714 -48.493 7.351 405 2HB LYS 49 HB2 LYS 49 9.359 -49.034 7.162 406 1HG LYS 49 HG1 LYS 49 9.509 -46.541 8.558 407 2HG LYS 49 HG2 LYS 49 8.132 -47.382 9.228 408 1HD LYS 49 HD1 LYS 49 9.751 -48.247 10.588 409 2HD LYS 49 HD2 LYS 49 9.854 -49.430 9.310 410 1HE LYS 49 HE1 LYS 49 11.686 -47.048 9.715 411 2HE LYS 49 HE2 LYS 49 12.079 -48.733 10.024 412 1HZ LYS 49 HZ2 LYS 49 11.338 -47.628 7.378 413 2HZ LYS 49 HZ3 LYS 49 12.922 -47.891 7.773 414 3HZ LYS 49 HZ1 LYS 49 11.850 -49.234 7.594 415 H ALA 50 HN ALA 50 9.159 -49.290 4.548 416 HA ALA 50 HA ALA 50 11.897 -49.373 3.737 417 1HB ALA 50 HB2 ALA 50 10.262 -51.171 3.440 418 2HB ALA 50 HB3 ALA 50 9.414 -50.219 2.239 419 3HB ALA 50 HB1 ALA 50 11.050 -50.791 1.924 420 H PHE 51 HN PHE 51 9.130 -47.759 2.168 421 HA PHE 51 HA PHE 51 10.384 -46.479 0.038 422 1HB PHE 51 HB1 PHE 51 7.872 -46.657 0.813 423 2HB PHE 51 HB2 PHE 51 8.185 -45.182 1.687 424 HD1 PHE 51 HD1 PHE 51 9.223 -43.164 0.186 425 HD2 PHE 51 HD2 PHE 51 6.954 -46.427 -1.349 426 HE1 PHE 51 HE1 PHE 51 9.106 -42.080 -2.010 427 HE2 PHE 51 HE2 PHE 51 6.763 -45.351 -3.416 428 HZ PHE 51 HZ PHE 51 7.913 -43.190 -3.849 429 H LYS 52 HN LYS 52 9.708 -44.980 3.252 430 HA LYS 52 HA LYS 52 11.026 -42.575 2.768 431 1HB LYS 52 HB1 LYS 52 9.344 -42.940 4.502 432 2HB LYS 52 HB2 LYS 52 10.381 -44.056 5.338 433 1HG LYS 52 HG1 LYS 52 10.222 -41.981 6.550 434 2HG LYS 52 HG2 LYS 52 11.868 -42.229 6.013 435 1HD LYS 52 HD1 LYS 52 11.639 -40.562 4.280 436 2HD LYS 52 HD2 LYS 52 9.909 -40.414 4.562 437 1HE LYS 52 HE1 LYS 52 10.196 -39.338 6.626 438 2HE LYS 52 HE2 LYS 52 11.852 -39.902 6.812 439 1HZ LYS 52 HZ2 LYS 52 12.412 -38.572 4.821 440 2HZ LYS 52 HZ3 LYS 52 10.852 -37.860 4.790 441 3HZ LYS 52 HZ1 LYS 52 11.931 -37.628 6.117 442 H ASP 53 HN ASP 53 12.387 -45.560 4.301 443 HA ASP 53 HA ASP 53 14.950 -44.377 4.747 444 1HB ASP 53 HB1 ASP 53 14.092 -47.259 4.603 445 2HB ASP 53 HB2 ASP 53 15.751 -46.783 4.910 446 H CYS 54 HN CYS 54 14.083 -46.665 2.020 447 HA CYS 54 HA CYS 54 16.393 -46.108 0.541 448 1HB CYS 54 HB1 CYS 54 13.698 -47.148 -0.142 449 2HB CYS 54 HB2 CYS 54 14.800 -46.759 -1.434 450 H CYS 55 HN CYS 55 13.400 -44.100 0.594 451 HA CYS 55 HA CYS 55 14.316 -42.340 -1.425 452 1HB CYS 55 HB1 CYS 55 11.954 -42.610 -0.347 453 2HB CYS 55 HB2 CYS 55 12.512 -41.377 0.761 454 OH TYR 56 OH TYR 56 14.150 -38.009 7.411 455 H TYR 56 HN TYR 56 14.859 -42.131 2.168 456 HA TYR 56 HA TYR 56 16.609 -39.951 2.059 457 1HB TYR 56 HB1 TYR 56 16.543 -42.378 3.839 458 2HB TYR 56 HB2 TYR 56 17.900 -41.285 3.960 459 HD1 TYR 56 HD1 TYR 56 15.342 -42.052 5.836 460 HD2 TYR 56 HD2 TYR 56 16.599 -38.582 3.717 461 HE1 TYR 56 HE1 TYR 56 14.239 -40.630 7.489 462 HE2 TYR 56 HE2 TYR 56 15.454 -37.176 5.363 463 HH TYR 56 HH TYR 56 13.778 -38.544 8.115 464 H ILE 57 HN ILE 57 17.525 -43.386 1.410 465 HA ILE 57 HA ILE 57 20.130 -42.744 0.507 466 HB ILE 57 HB ILE 57 18.347 -45.042 -0.174 467 1HG1 ILE 57 HG11 ILE 57 20.701 -45.988 0.966 468 2HG1 ILE 57 HG12 ILE 57 20.480 -44.442 1.751 469 1HG2 ILE 57 HG23 ILE 57 21.166 -44.729 -1.249 470 2HG2 ILE 57 HG21 ILE 57 20.203 -46.202 -1.289 471 3HG2 ILE 57 HG22 ILE 57 19.692 -44.814 -2.210 472 1HD1 ILE 57 HD13 ILE 57 18.232 -45.095 2.482 473 2HD1 ILE 57 HD11 ILE 57 18.418 -46.643 1.674 474 3HD1 ILE 57 HD12 ILE 57 19.448 -46.248 3.045 475 H ALA 58 HN ALA 58 17.226 -42.961 -1.532 476 HA ALA 58 HA ALA 58 18.270 -42.005 -3.950 477 1HB ALA 58 HB1 ALA 58 15.996 -42.810 -3.722 478 2HB ALA 58 HB2 ALA 58 15.559 -41.359 -2.825 479 3HB ALA 58 HB3 ALA 58 16.058 -41.242 -4.507 480 H ASN 59 HN ASN 59 17.109 -39.917 -1.250 481 HA ASN 59 HA ASN 59 17.917 -37.457 -2.384 482 1HB ASN 59 HB1 ASN 59 16.469 -37.943 -0.262 483 2HB ASN 59 HB2 ASN 59 17.994 -37.948 0.603 484 1HD2 ASN 59 HD21 ASN 59 18.394 -34.659 0.765 485 2HD2 ASN 59 HD22 ASN 59 19.386 -35.607 -0.299 486 H GLN 60 HN GLN 60 19.867 -39.638 -0.277 487 HA GLN 60 HA GLN 60 22.271 -38.141 -0.403 488 1HB GLN 60 HB1 GLN 60 21.713 -41.074 0.028 489 2HB GLN 60 HB2 GLN 60 23.338 -40.412 0.078 490 1HG GLN 60 HG1 GLN 60 22.921 -39.118 2.011 491 2HG GLN 60 HG2 GLN 60 21.175 -39.233 1.846 492 1HE2 GLN 60 HE21 GLN 60 20.965 -42.269 3.576 493 2HE2 GLN 60 HE22 GLN 60 20.146 -41.083 2.593 494 H VAL 61 HN VAL 61 21.115 -40.682 -2.666 495 HA VAL 61 HA VAL 61 23.240 -40.409 -4.530 496 HB VAL 61 HB VAL 61 20.352 -41.148 -5.064 497 1HG1 VAL 61 HG13 VAL 61 22.780 -41.617 -6.837 498 2HG1 VAL 61 HG11 VAL 61 21.171 -42.274 -7.117 499 3HG1 VAL 61 HG12 VAL 61 21.437 -40.544 -7.208 500 1HG2 VAL 61 HG22 VAL 61 22.788 -42.914 -4.635 501 2HG2 VAL 61 HG23 VAL 61 21.446 -42.713 -3.513 502 3HG2 VAL 61 HG21 VAL 61 21.180 -43.485 -5.070 503 NH1 ARG 62 NH1 ARG 62 15.343 -32.128 -7.120 504 NH2 ARG 62 NH2 ARG 62 14.425 -33.780 -6.050 505 H ARG 62 HN ARG 62 20.087 -38.642 -4.542 506 HA ARG 62 HA ARG 62 20.660 -36.900 -6.666 507 1HB ARG 62 HB1 ARG 62 18.441 -37.336 -5.604 508 2HB ARG 62 HB2 ARG 62 18.934 -36.358 -4.237 509 1HG ARG 62 HG1 ARG 62 19.079 -34.361 -5.666 510 2HG ARG 62 HG2 ARG 62 18.694 -35.323 -7.083 511 1HD ARG 62 HD1 ARG 62 16.469 -35.822 -6.175 512 2HD ARG 62 HD2 ARG 62 16.851 -34.922 -4.701 513 HE ARG 62 HE ARG 62 17.365 -33.211 -6.871 514 1HH1 ARG 62 HH12 ARG 62 16.121 -31.678 -7.525 515 2HH1 ARG 62 HH11 ARG 62 14.406 -31.719 -7.151 516 1HH2 ARG 62 HH22 ARG 62 14.498 -34.639 -5.559 517 2HH2 ARG 62 HH21 ARG 62 13.564 -33.315 -6.202 518 H ALA 63 HN ALA 63 21.370 -36.309 -3.171 519 HA ALA 63 HA ALA 63 22.968 -33.975 -3.876 520 1HB ALA 63 HB1 ALA 63 22.442 -35.362 -1.233 521 2HB ALA 63 HB2 ALA 63 23.307 -33.837 -1.422 522 3HB ALA 63 HB3 ALA 63 21.608 -33.948 -1.871 523 H GLU 64 HN GLU 64 23.723 -36.967 -4.498 524 HA GLU 64 HA GLU 64 25.500 -38.242 -4.850 525 1HB GLU 64 HB1 GLU 64 25.689 -36.159 -6.303 526 2HB GLU 64 HB2 GLU 64 26.964 -35.641 -5.224 527 1HG GLU 64 HG1 GLU 64 27.986 -36.669 -7.181 528 2HG GLU 64 HG2 GLU 64 28.266 -37.725 -5.809 529 H GLN 65 HN GLN 65 25.305 -38.592 -2.295 530 HA GLN 65 HA GLN 65 28.079 -38.666 -1.337 531 1HB GLN 65 HB1 GLN 65 27.534 -37.616 0.829 532 2HB GLN 65 HB2 GLN 65 27.433 -36.543 -0.547 533 1HG GLN 65 HG1 GLN 65 24.839 -37.039 -0.461 534 2HG GLN 65 HG2 GLN 65 25.175 -37.636 1.158 535 1HE2 GLN 65 HE21 GLN 65 25.548 -33.654 0.464 536 2HE2 GLN 65 HE22 GLN 65 25.599 -34.728 -0.909 Start of MODEL 30 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 24.114 -46.830 9.218 2 2H MET 1 HT3 MET 1 24.803 -47.251 10.718 3 3H MET 1 HT2 MET 1 24.158 -48.441 9.710 4 HA MET 1 HA MET 1 22.614 -48.180 11.381 5 1HB MET 1 HB1 MET 1 23.625 -46.123 12.269 6 2HB MET 1 HB2 MET 1 22.909 -45.187 10.984 7 1HG MET 1 HG1 MET 1 21.629 -44.861 12.995 8 2HG MET 1 HG2 MET 1 20.632 -45.763 11.884 9 1HE MET 1 HE1 MET 1 19.854 -48.254 12.240 10 2HE MET 1 HE2 MET 1 19.500 -48.676 13.905 11 3HE MET 1 HE3 MET 1 18.913 -47.149 13.267 12 H LEU 2 HN LEU 2 22.060 -45.580 9.005 13 HA LEU 2 HA LEU 2 19.463 -46.242 8.189 14 1HB LEU 2 HB1 LEU 2 21.760 -44.746 6.887 15 2HB LEU 2 HB2 LEU 2 20.244 -44.968 6.055 16 HG LEU 2 HG LEU 2 19.055 -43.690 7.747 17 1HD1 LEU 2 HD11 LEU 2 21.755 -43.084 9.010 18 2HD1 LEU 2 HD12 LEU 2 20.232 -42.291 9.395 19 3HD1 LEU 2 HD13 LEU 2 20.445 -43.990 9.769 20 1HD2 LEU 2 HD23 LEU 2 19.974 -42.584 5.763 21 2HD2 LEU 2 HD21 LEU 2 20.035 -41.491 7.136 22 3HD2 LEU 2 HD22 LEU 2 21.501 -42.300 6.592 23 H GLN 3 HN GLN 3 22.557 -47.167 6.904 24 HA GLN 3 HA GLN 3 21.860 -48.567 4.560 25 1HB GLN 3 HB1 GLN 3 24.256 -49.086 6.366 26 2HB GLN 3 HB2 GLN 3 24.116 -49.482 4.672 27 1HG GLN 3 HG1 GLN 3 25.450 -47.599 4.562 28 2HG GLN 3 HG2 GLN 3 23.873 -46.880 4.331 29 1HE2 GLN 3 HE21 GLN 3 25.750 -44.874 6.826 30 2HE2 GLN 3 HE22 GLN 3 26.055 -45.355 5.189 31 H LYS 4 HN LYS 4 22.330 -49.715 7.849 32 HA LYS 4 HA LYS 4 21.915 -52.492 7.398 33 1HB LYS 4 HB1 LYS 4 22.987 -51.220 9.433 34 2HB LYS 4 HB2 LYS 4 21.347 -51.110 10.026 35 1HG LYS 4 HG1 LYS 4 22.112 -53.063 11.067 36 2HG LYS 4 HG2 LYS 4 21.310 -53.730 9.658 37 1HD LYS 4 HD1 LYS 4 23.509 -53.827 8.474 38 2HD LYS 4 HD2 LYS 4 24.288 -53.199 9.909 39 1HE LYS 4 HE1 LYS 4 24.700 -55.463 10.062 40 2HE LYS 4 HE2 LYS 4 23.296 -55.274 11.105 41 1HZ LYS 4 HZ1 LYS 4 23.080 -56.020 8.175 42 2HZ LYS 4 HZ2 LYS 4 23.166 -57.142 9.453 43 3HZ LYS 4 HZ3 LYS 4 21.817 -56.141 9.339 44 H LYS 5 HN LYS 5 19.682 -49.845 8.099 45 HA LYS 5 HA LYS 5 17.363 -51.460 8.509 46 1HB LYS 5 HB1 LYS 5 17.832 -49.156 9.359 47 2HB LYS 5 HB2 LYS 5 17.543 -48.547 7.746 48 1HG LYS 5 HG1 LYS 5 15.225 -49.113 7.834 49 2HG LYS 5 HG2 LYS 5 15.442 -50.147 9.243 50 1HD LYS 5 HD1 LYS 5 16.020 -48.232 10.634 51 2HD LYS 5 HD2 LYS 5 16.000 -47.157 9.256 52 1HE LYS 5 HE1 LYS 5 13.573 -48.606 10.328 53 2HE LYS 5 HE2 LYS 5 14.018 -46.949 10.731 54 1HZ LYS 5 HZ3 LYS 5 14.076 -46.514 8.195 55 2HZ LYS 5 HZ1 LYS 5 13.340 -48.013 8.042 56 3HZ LYS 5 HZ2 LYS 5 12.540 -46.788 8.891 57 H ILE 6 HN ILE 6 18.410 -49.647 5.514 58 HA ILE 6 HA ILE 6 16.484 -50.839 3.791 59 HB ILE 6 HB ILE 6 19.321 -50.210 2.960 60 1HG1 ILE 6 HG11 ILE 6 17.732 -48.326 1.707 61 2HG1 ILE 6 HG12 ILE 6 16.960 -48.485 3.261 62 1HG2 ILE 6 HG23 ILE 6 16.933 -50.765 1.089 63 2HG2 ILE 6 HG21 ILE 6 18.484 -50.146 0.597 64 3HG2 ILE 6 HG22 ILE 6 18.365 -51.748 1.279 65 1HD1 ILE 6 HD11 ILE 6 19.910 -47.908 2.815 66 2HD1 ILE 6 HD12 ILE 6 18.694 -46.719 3.267 67 3HD1 ILE 6 HD13 ILE 6 19.122 -48.008 4.387 68 H GLU 7 HN GLU 7 19.705 -52.075 4.766 69 HA GLU 7 HA GLU 7 19.577 -54.544 3.446 70 1HB GLU 7 HB1 GLU 7 21.577 -53.491 4.564 71 2HB GLU 7 HB2 GLU 7 20.910 -54.018 6.098 72 1HG GLU 7 HG1 GLU 7 21.065 -56.402 5.361 73 2HG GLU 7 HG2 GLU 7 21.746 -55.872 3.828 74 H GLU 8 HN GLU 8 18.494 -54.062 6.968 75 HA GLU 8 HA GLU 8 17.585 -56.757 7.025 76 1HB GLU 8 HB1 GLU 8 16.479 -54.437 8.699 77 2HB GLU 8 HB2 GLU 8 16.286 -56.134 9.070 78 1HG GLU 8 HG1 GLU 8 18.861 -54.529 9.201 79 2HG GLU 8 HG2 GLU 8 17.951 -55.165 10.553 80 H GLU 9 HN GLU 9 15.792 -53.933 5.781 81 HA GLU 9 HA GLU 9 13.455 -55.587 5.224 82 1HB GLU 9 HB1 GLU 9 14.364 -52.903 4.147 83 2HB GLU 9 HB2 GLU 9 12.832 -53.654 3.740 84 1HG GLU 9 HG1 GLU 9 13.651 -52.996 6.612 85 2HG GLU 9 HG2 GLU 9 12.733 -51.902 5.607 86 H ALA 10 HN ALA 10 15.706 -54.149 2.850 87 HA ALA 10 HA ALA 10 15.041 -56.128 0.848 88 1HB ALA 10 HB3 ALA 10 17.062 -53.875 0.921 89 2HB ALA 10 HB1 ALA 10 16.653 -54.815 -0.513 90 3HB ALA 10 HB2 ALA 10 15.429 -53.809 0.257 91 H ALA 11 HN ALA 11 17.547 -56.690 3.257 92 HA ALA 11 HA ALA 11 18.705 -58.748 1.580 93 1HB ALA 11 HB3 ALA 11 18.656 -58.366 4.620 94 2HB ALA 11 HB1 ALA 11 19.598 -59.625 3.776 95 3HB ALA 11 HB2 ALA 11 19.946 -57.920 3.512 96 H LYS 12 HN LYS 12 16.231 -58.667 4.051 97 HA LYS 12 HA LYS 12 15.681 -61.519 3.906 98 1HB LYS 12 HB1 LYS 12 14.780 -59.264 5.711 99 2HB LYS 12 HB2 LYS 12 14.086 -60.870 5.813 100 1HG LYS 12 HG1 LYS 12 16.139 -61.862 6.473 101 2HG LYS 12 HG2 LYS 12 17.092 -60.497 5.925 102 1HD LYS 12 HD1 LYS 12 16.275 -59.118 7.766 103 2HD LYS 12 HD2 LYS 12 15.201 -60.409 8.293 104 1HE LYS 12 HE1 LYS 12 17.043 -61.832 8.880 105 2HE LYS 12 HE2 LYS 12 18.204 -60.767 8.093 106 1HZ LYS 12 HZ2 LYS 12 16.498 -59.879 10.347 107 2HZ LYS 12 HZ3 LYS 12 18.049 -60.517 10.561 108 3HZ LYS 12 HZ1 LYS 12 17.876 -59.049 9.733 109 OH TYR 13 OH TYR 13 16.007 -57.442 -4.054 110 H TYR 13 HN TYR 13 15.191 -61.004 1.646 111 HA TYR 13 HA TYR 13 12.889 -59.942 0.575 112 1HB TYR 13 HB1 TYR 13 14.797 -62.092 -0.224 113 2HB TYR 13 HB2 TYR 13 13.289 -62.030 -1.096 114 HD1 TYR 13 HD1 TYR 13 14.241 -61.472 -3.184 115 HD2 TYR 13 HD2 TYR 13 15.030 -58.834 0.088 116 HE1 TYR 13 HE1 TYR 13 15.119 -59.769 -4.728 117 HE2 TYR 13 HE2 TYR 13 15.936 -57.225 -1.467 118 HH TYR 13 HH TYR 13 16.201 -56.599 -3.582 119 H LYS 14 HN LYS 14 12.712 -62.677 2.668 120 HA LYS 14 HA LYS 14 10.099 -63.552 2.099 121 1HB LYS 14 HB1 LYS 14 11.484 -63.053 4.759 122 2HB LYS 14 HB2 LYS 14 9.920 -63.824 4.613 123 1HG LYS 14 HG1 LYS 14 10.931 -65.645 3.253 124 2HG LYS 14 HG2 LYS 14 12.509 -64.891 3.428 125 1HD LYS 14 HD1 LYS 14 12.416 -65.194 5.868 126 2HD LYS 14 HD2 LYS 14 10.788 -65.819 5.754 127 1HE LYS 14 HE1 LYS 14 12.207 -67.691 6.085 128 2HE LYS 14 HE2 LYS 14 11.670 -67.751 4.413 129 1HZ LYS 14 HZ2 LYS 14 14.247 -66.616 5.349 130 2HZ LYS 14 HZ3 LYS 14 14.064 -68.128 4.609 131 3HZ LYS 14 HZ1 LYS 14 13.736 -66.714 3.741 132 OH TYR 15 OH TYR 15 11.334 -60.070 9.730 133 H TYR 15 HN TYR 15 11.186 -60.474 3.532 134 HA TYR 15 HA TYR 15 8.483 -59.483 3.977 135 1HB TYR 15 HB1 TYR 15 11.181 -58.085 3.952 136 2HB TYR 15 HB2 TYR 15 9.695 -57.368 4.519 137 HD1 TYR 15 HD1 TYR 15 8.703 -59.933 6.109 138 HD2 TYR 15 HD2 TYR 15 12.431 -57.889 5.954 139 HE1 TYR 15 HE1 TYR 15 9.203 -60.630 8.413 140 HE2 TYR 15 HE2 TYR 15 12.927 -58.618 8.233 141 HH TYR 15 HH TYR 15 12.200 -59.770 10.006 142 H ALA 16 HN ALA 16 8.124 -60.253 1.679 143 HA ALA 16 HA ALA 16 9.353 -59.237 -0.594 144 1HB ALA 16 HB3 ALA 16 6.603 -60.476 -0.297 145 2HB ALA 16 HB1 ALA 16 7.460 -60.275 -1.824 146 3HB ALA 16 HB2 ALA 16 8.129 -61.311 -0.571 147 H MET 17 HN MET 17 6.111 -58.231 0.496 148 HA MET 17 HA MET 17 5.813 -56.092 -1.367 149 1HB MET 17 HB1 MET 17 4.392 -56.660 1.253 150 2HB MET 17 HB2 MET 17 3.926 -55.399 0.137 151 1HG MET 17 HG1 MET 17 3.965 -58.356 -0.563 152 2HG MET 17 HG2 MET 17 2.544 -57.481 -0.046 153 1HE MET 17 HE3 MET 17 1.796 -55.125 -1.468 154 2HE MET 17 HE1 MET 17 1.327 -55.626 -3.082 155 3HE MET 17 HE2 MET 17 0.848 -56.609 -1.710 156 H LEU 18 HN LEU 18 7.439 -56.279 1.669 157 HA LEU 18 HA LEU 18 7.323 -53.432 2.272 158 1HB LEU 18 HB1 LEU 18 8.873 -55.601 3.697 159 2HB LEU 18 HB2 LEU 18 8.451 -54.027 4.322 160 HG LEU 18 HG LEU 18 6.505 -56.289 3.735 161 1HD1 LEU 18 HD12 LEU 18 7.439 -55.120 6.350 162 2HD1 LEU 18 HD13 LEU 18 6.179 -56.339 6.174 163 3HD1 LEU 18 HD11 LEU 18 7.836 -56.715 5.722 164 1HD2 LEU 18 HD23 LEU 18 5.956 -53.546 4.880 165 2HD2 LEU 18 HD21 LEU 18 5.419 -54.151 3.321 166 3HD2 LEU 18 HD22 LEU 18 4.784 -54.868 4.802 167 H LYS 19 HN LYS 19 9.987 -55.767 1.499 168 HA LYS 19 HA LYS 19 11.771 -53.710 0.773 169 1HB LYS 19 HB1 LYS 19 13.068 -55.370 -0.403 170 2HB LYS 19 HB2 LYS 19 12.460 -56.079 1.072 171 1HG LYS 19 HG1 LYS 19 12.036 -57.846 -0.282 172 2HG LYS 19 HG2 LYS 19 10.554 -56.980 -0.599 173 1HD LYS 19 HD1 LYS 19 11.730 -55.958 -2.641 174 2HD LYS 19 HD2 LYS 19 13.041 -57.052 -2.327 175 1HE LYS 19 HE1 LYS 19 11.837 -58.185 -3.945 176 2HE LYS 19 HE2 LYS 19 11.265 -58.935 -2.461 177 1HZ LYS 19 HZ2 LYS 19 9.342 -57.365 -2.449 178 2HZ LYS 19 HZ3 LYS 19 9.960 -56.687 -3.881 179 3HZ LYS 19 HZ1 LYS 19 9.409 -58.284 -3.891 180 H LYS 20 HN LYS 20 9.113 -55.146 -1.252 181 HA LYS 20 HA LYS 20 9.709 -53.585 -3.531 182 1HB LYS 20 HB1 LYS 20 7.987 -55.481 -3.272 183 2HB LYS 20 HB2 LYS 20 6.918 -54.290 -2.585 184 1HG LYS 20 HG1 LYS 20 8.048 -53.556 -5.230 185 2HG LYS 20 HG2 LYS 20 7.000 -54.958 -5.238 186 1HD LYS 20 HD1 LYS 20 5.204 -53.626 -4.168 187 2HD LYS 20 HD2 LYS 20 6.240 -52.216 -4.169 188 1HE LYS 20 HE1 LYS 20 5.404 -53.670 -6.692 189 2HE LYS 20 HE2 LYS 20 4.534 -52.300 -6.012 190 1HZ LYS 20 HZ1 LYS 20 7.401 -52.268 -6.777 191 2HZ LYS 20 HZ2 LYS 20 6.151 -51.573 -7.680 192 3HZ LYS 20 HZ3 LYS 20 6.569 -50.918 -6.159 193 H CYS 21 HN CYS 21 7.666 -52.525 -0.600 194 HA CYS 21 HA CYS 21 7.421 -49.878 -1.409 195 1HB CYS 21 HB1 CYS 21 7.733 -51.083 1.300 196 2HB CYS 21 HB2 CYS 21 7.640 -49.349 1.124 197 H CYS 22 HN CYS 22 10.317 -51.194 0.295 198 HA CYS 22 HA CYS 22 12.123 -49.012 -0.017 199 1HB CYS 22 HB1 CYS 22 12.454 -51.469 0.877 200 2HB CYS 22 HB2 CYS 22 13.279 -51.556 -0.638 201 OH TYR 23 OH TYR 23 16.312 -55.031 -3.007 202 H TYR 23 HN TYR 23 11.403 -51.309 -2.510 203 HA TYR 23 HA TYR 23 12.993 -49.770 -4.319 204 1HB TYR 23 HB1 TYR 23 11.205 -52.104 -4.780 205 2HB TYR 23 HB2 TYR 23 12.421 -51.488 -5.886 206 HD1 TYR 23 HD1 TYR 23 14.045 -51.170 -2.458 207 HD2 TYR 23 HD2 TYR 23 12.555 -54.112 -5.248 208 HE1 TYR 23 HE1 TYR 23 15.934 -52.593 -2.055 209 HE2 TYR 23 HE2 TYR 23 14.448 -55.592 -4.651 210 HH TYR 23 HH TYR 23 16.945 -54.562 -2.456 211 H ASP 24 HN ASP 24 9.475 -49.753 -3.805 212 HA ASP 24 HA ASP 24 8.828 -47.735 -5.679 213 1HB ASP 24 HB1 ASP 24 7.704 -47.945 -2.854 214 2HB ASP 24 HB2 ASP 24 7.037 -47.040 -4.189 215 H GLY 25 HN GLY 25 10.268 -47.292 -2.435 216 1HA GLY 25 HA1 GLY 25 10.636 -44.471 -2.623 217 2HA GLY 25 HA2 GLY 25 11.515 -45.541 -1.561 218 H ALA 26 HN ALA 26 12.906 -47.094 -3.398 219 HA ALA 26 HA ALA 26 15.039 -45.463 -4.280 220 1HB ALA 26 HB1 ALA 26 15.335 -47.825 -3.732 221 2HB ALA 26 HB2 ALA 26 14.360 -48.292 -5.125 222 3HB ALA 26 HB3 ALA 26 15.910 -47.496 -5.363 223 OH TYR 27 OH TYR 27 14.144 -50.792 -11.242 224 H TYR 27 HN TYR 27 12.351 -46.802 -6.325 225 HA TYR 27 HA TYR 27 13.316 -45.466 -8.664 226 1HB TYR 27 HB1 TYR 27 10.742 -46.856 -7.991 227 2HB TYR 27 HB2 TYR 27 10.870 -45.927 -9.469 228 HD1 TYR 27 HD1 TYR 27 12.047 -48.932 -7.711 229 HD2 TYR 27 HD2 TYR 27 12.459 -46.638 -11.259 230 HE1 TYR 27 HE1 TYR 27 13.219 -50.808 -8.791 231 HE2 TYR 27 HE2 TYR 27 13.637 -48.523 -12.330 232 HH TYR 27 HH TYR 27 14.219 -51.534 -10.642 233 NH1 ARG 28 NH1 ARG 28 13.251 -36.582 -3.164 234 NH2 ARG 28 NH2 ARG 28 14.076 -38.521 -3.611 235 H ARG 28 HN ARG 28 13.731 -43.502 -7.349 236 HA ARG 28 HA ARG 28 11.786 -41.464 -8.201 237 1HB ARG 28 HB1 ARG 28 11.292 -41.853 -5.839 238 2HB ARG 28 HB2 ARG 28 12.972 -41.633 -5.416 239 1HG ARG 28 HG1 ARG 28 12.843 -39.240 -6.149 240 2HG ARG 28 HG2 ARG 28 11.173 -39.484 -6.620 241 1HD ARG 28 HD1 ARG 28 10.410 -39.476 -4.469 242 2HD ARG 28 HD2 ARG 28 11.891 -40.117 -3.786 243 HE ARG 28 HE ARG 28 11.464 -37.275 -4.661 244 1HH1 ARG 28 HH12 ARG 28 12.509 -35.894 -3.157 245 2HH1 ARG 28 HH11 ARG 28 14.156 -36.391 -2.765 246 1HH2 ARG 28 HH22 ARG 28 13.991 -39.413 -4.025 247 2HH2 ARG 28 HH21 ARG 28 14.896 -38.190 -3.167 248 H ASN 29 HN ASN 29 12.731 -39.887 -9.259 249 HA ASN 29 HA ASN 29 15.339 -38.840 -8.369 250 1HB ASN 29 HB1 ASN 29 15.740 -40.307 -10.359 251 2HB ASN 29 HB2 ASN 29 14.655 -39.309 -11.307 252 1HD2 ASN 29 HD21 ASN 29 18.280 -37.745 -10.348 253 2HD2 ASN 29 HD22 ASN 29 17.739 -39.136 -9.460 254 H ASP 30 HN ASP 30 12.671 -38.222 -10.602 255 HA ASP 30 HA ASP 30 12.993 -35.438 -10.837 256 1HB ASP 30 HB1 ASP 30 10.750 -35.623 -12.010 257 2HB ASP 30 HB2 ASP 30 11.999 -36.702 -12.603 258 H ASP 31 HN ASP 31 10.492 -37.154 -8.842 259 HA ASP 31 HA ASP 31 9.294 -34.635 -8.167 260 1HB ASP 31 HB1 ASP 31 7.628 -36.037 -6.929 261 2HB ASP 31 HB2 ASP 31 7.797 -36.399 -8.635 262 H GLU 32 HN GLU 32 9.501 -33.490 -6.484 263 HA GLU 32 HA GLU 32 11.839 -33.530 -4.964 264 1HB GLU 32 HB1 GLU 32 9.305 -31.922 -4.464 265 2HB GLU 32 HB2 GLU 32 10.873 -31.565 -3.787 266 1HG GLU 32 HG1 GLU 32 10.243 -31.458 -6.774 267 2HG GLU 32 HG2 GLU 32 10.280 -30.078 -5.698 268 H THR 33 HN THR 33 8.534 -34.172 -3.675 269 HA THR 33 HA THR 33 9.764 -34.718 -1.044 270 HB THR 33 HB THR 33 6.883 -33.978 -1.663 271 HG1 THR 33 HG1 THR 33 8.969 -32.357 -0.594 272 1HG2 THR 33 HG21 THR 33 8.425 -33.874 0.954 273 2HG2 THR 33 HG22 THR 33 6.780 -33.311 0.685 274 3HG2 THR 33 HG23 THR 33 7.149 -35.029 0.581 275 H CYS 34 HN CYS 34 10.045 -36.861 -0.674 276 HA CYS 34 HA CYS 34 8.762 -39.046 -1.807 277 1HB CYS 34 HB1 CYS 34 10.048 -38.780 0.930 278 2HB CYS 34 HB2 CYS 34 9.570 -40.309 0.226 279 H GLU 35 HN GLU 35 7.890 -37.279 1.089 280 HA GLU 35 HA GLU 35 5.919 -39.061 2.089 281 1HB GLU 35 HB1 GLU 35 6.312 -36.080 2.591 282 2HB GLU 35 HB2 GLU 35 5.236 -37.107 3.505 283 1HG GLU 35 HG1 GLU 35 7.193 -36.824 4.844 284 2HG GLU 35 HG2 GLU 35 7.245 -38.461 4.248 285 H GLU 36 HN GLU 36 5.594 -36.816 -0.565 286 HA GLU 36 HA GLU 36 2.702 -36.623 -0.398 287 1HB GLU 36 HB1 GLU 36 4.143 -34.924 -1.504 288 2HB GLU 36 HB2 GLU 36 4.591 -36.081 -2.727 289 1HG GLU 36 HG1 GLU 36 1.692 -35.230 -2.312 290 2HG GLU 36 HG2 GLU 36 2.786 -34.318 -3.322 291 NH1 ARG 37 NH1 ARG 37 8.939 -41.315 -7.587 292 NH2 ARG 37 NH2 ARG 37 8.826 -43.026 -6.304 293 H ARG 37 HN ARG 37 4.835 -38.321 -2.723 294 HA ARG 37 HA ARG 37 2.922 -40.176 -3.577 295 1HB ARG 37 HB1 ARG 37 4.724 -41.533 -4.486 296 2HB ARG 37 HB2 ARG 37 4.817 -39.857 -4.951 297 1HG ARG 37 HG1 ARG 37 6.805 -39.484 -3.908 298 2HG ARG 37 HG2 ARG 37 6.494 -40.604 -2.601 299 1HD ARG 37 HD1 ARG 37 8.155 -41.726 -3.706 300 2HD ARG 37 HD2 ARG 37 6.752 -42.418 -4.508 301 HE ARG 37 HE ARG 37 7.784 -40.083 -5.915 302 1HH1 ARG 37 HH12 ARG 37 8.825 -40.336 -7.803 303 2HH1 ARG 37 HH11 ARG 37 9.420 -41.935 -8.193 304 1HH2 ARG 37 HH22 ARG 37 8.562 -43.523 -5.489 305 2HH2 ARG 37 HH21 ARG 37 9.404 -43.465 -7.005 306 H ALA 38 HN ALA 38 5.233 -40.595 -0.774 307 HA ALA 38 HA ALA 38 3.815 -43.015 -0.100 308 1HB ALA 38 HB3 ALA 38 6.200 -41.745 1.135 309 2HB ALA 38 HB1 ALA 38 5.411 -43.210 1.742 310 3HB ALA 38 HB2 ALA 38 6.020 -43.188 0.094 311 H ALA 39 HN ALA 39 2.896 -39.734 0.832 312 HA ALA 39 HA ALA 39 1.033 -40.805 2.682 313 1HB ALA 39 HB1 ALA 39 1.300 -38.389 2.338 314 2HB ALA 39 HB2 ALA 39 0.684 -38.533 0.697 315 3HB ALA 39 HB3 ALA 39 -0.378 -38.864 2.070 316 NH1 ARG 40 NH1 ARG 40 -1.534 -36.903 -5.170 317 NH2 ARG 40 NH2 ARG 40 -2.737 -38.724 -5.439 318 H ARG 40 HN ARG 40 1.008 -40.795 -0.890 319 HA ARG 40 HA ARG 40 -1.445 -42.287 -1.089 320 1HB ARG 40 HB1 ARG 40 0.826 -42.177 -3.077 321 2HB ARG 40 HB2 ARG 40 -0.806 -42.743 -3.407 322 1HG ARG 40 HG1 ARG 40 -1.701 -40.480 -2.975 323 2HG ARG 40 HG2 ARG 40 -0.105 -39.905 -2.540 324 1HD ARG 40 HD1 ARG 40 0.662 -40.508 -4.867 325 2HD ARG 40 HD2 ARG 40 -1.014 -40.799 -5.285 326 HE ARG 40 HE ARG 40 0.180 -38.159 -4.553 327 1HH1 ARG 40 HH12 ARG 40 -0.629 -36.538 -4.901 328 2HH1 ARG 40 HH11 ARG 40 -2.295 -36.336 -5.439 329 1HH2 ARG 40 HH22 ARG 40 -2.779 -39.709 -5.386 330 2HH2 ARG 40 HH21 ARG 40 -3.504 -38.163 -5.710 331 H ILE 41 HN ILE 41 1.927 -43.618 -1.290 332 HA ILE 41 HA ILE 41 1.158 -46.258 -0.867 333 HB ILE 41 HB ILE 41 3.961 -45.201 -0.378 334 1HG1 ILE 41 HG11 ILE 41 3.898 -46.857 -2.624 335 2HG1 ILE 41 HG12 ILE 41 2.384 -45.950 -2.782 336 1HG2 ILE 41 HG21 ILE 41 2.937 -47.944 -0.541 337 2HG2 ILE 41 HG22 ILE 41 4.645 -47.324 -0.662 338 3HG2 ILE 41 HG23 ILE 41 3.698 -47.172 0.856 339 1HD1 ILE 41 HD11 ILE 41 4.947 -44.647 -2.085 340 2HD1 ILE 41 HD12 ILE 41 4.464 -44.881 -3.801 341 3HD1 ILE 41 HD13 ILE 41 3.510 -43.878 -2.696 342 H LYS 42 HN LYS 42 -0.126 -46.335 0.422 343 HA LYS 42 HA LYS 42 0.044 -45.881 3.351 344 1HB LYS 42 HB1 LYS 42 -2.295 -46.348 1.508 345 2HB LYS 42 HB2 LYS 42 -2.470 -46.537 3.242 346 1HG LYS 42 HG1 LYS 42 -1.705 -44.189 3.564 347 2HG LYS 42 HG2 LYS 42 -1.595 -44.003 1.821 348 1HD LYS 42 HD1 LYS 42 -4.006 -44.461 1.599 349 2HD LYS 42 HD2 LYS 42 -4.131 -44.743 3.321 350 1HE LYS 42 HE1 LYS 42 -4.993 -42.563 2.916 351 2HE LYS 42 HE2 LYS 42 -3.439 -42.367 3.715 352 1HZ LYS 42 HZ1 LYS 42 -3.802 -42.296 0.778 353 2HZ LYS 42 HZ2 LYS 42 -3.729 -40.908 1.748 354 3HZ LYS 42 HZ3 LYS 42 -2.351 -41.903 1.595 355 H ILE 43 HN ILE 43 1.132 -48.430 1.814 356 HA ILE 43 HA ILE 43 -0.621 -50.582 2.375 357 HB ILE 43 HB ILE 43 2.297 -50.605 1.572 358 1HG1 ILE 43 HG11 ILE 43 -0.163 -51.124 -0.129 359 2HG1 ILE 43 HG12 ILE 43 0.551 -49.537 0.006 360 1HG2 ILE 43 HG22 ILE 43 0.306 -52.913 1.528 361 2HG2 ILE 43 HG23 ILE 43 1.930 -52.958 0.849 362 3HG2 ILE 43 HG21 ILE 43 1.716 -52.802 2.574 363 1HD1 ILE 43 HD12 ILE 43 2.678 -50.409 -0.958 364 2HD1 ILE 43 HD13 ILE 43 1.932 -51.988 -1.155 365 3HD1 ILE 43 HD11 ILE 43 1.311 -50.611 -2.046 366 H GLY 44 HN GLY 44 2.199 -49.477 4.289 367 1HA GLY 44 HA1 GLY 44 0.941 -50.313 6.669 368 2HA GLY 44 HA2 GLY 44 2.147 -51.508 6.250 369 HA PRO 45 HA PRO 45 4.068 -47.796 8.808 370 1HB PRO 45 HB1 PRO 45 4.305 -50.151 10.709 371 2HB PRO 45 HB2 PRO 45 4.211 -48.416 11.066 372 1HG PRO 45 HG1 PRO 45 2.005 -49.835 11.291 373 2HG PRO 45 HG2 PRO 45 1.912 -48.301 10.401 374 1HD PRO 45 HD1 PRO 45 2.158 -51.119 9.295 375 2HD PRO 45 HD2 PRO 45 1.055 -49.810 8.813 376 H LYS 46 HN LYS 46 5.073 -51.179 8.711 377 HA LYS 46 HA LYS 46 7.888 -50.734 8.675 378 1HB LYS 46 HB1 LYS 46 6.443 -52.794 9.368 379 2HB LYS 46 HB2 LYS 46 6.531 -53.230 7.675 380 1HG LYS 46 HG1 LYS 46 8.924 -53.497 7.780 381 2HG LYS 46 HG2 LYS 46 9.012 -52.734 9.360 382 1HD LYS 46 HD1 LYS 46 7.617 -54.583 10.301 383 2HD LYS 46 HD2 LYS 46 7.619 -55.366 8.743 384 1HE LYS 46 HE1 LYS 46 10.105 -54.817 10.376 385 2HE LYS 46 HE2 LYS 46 9.205 -56.327 10.420 386 1HZ LYS 46 HZ1 LYS 46 9.523 -56.348 7.913 387 2HZ LYS 46 HZ2 LYS 46 10.730 -55.142 8.093 388 3HZ LYS 46 HZ3 LYS 46 10.892 -56.655 8.839 389 H CYS 47 HN CYS 47 5.502 -50.974 6.159 390 HA CYS 47 HA CYS 47 7.206 -51.029 3.880 391 1HB CYS 47 HB1 CYS 47 4.407 -51.057 4.356 392 2HB CYS 47 HB2 CYS 47 4.678 -49.619 3.412 393 H VAL 48 HN VAL 48 5.347 -48.105 5.128 394 HA VAL 48 HA VAL 48 6.875 -46.346 3.953 395 HB VAL 48 HB VAL 48 6.433 -45.018 6.460 396 1HG1 VAL 48 HG13 VAL 48 6.187 -44.061 4.051 397 2HG1 VAL 48 HG11 VAL 48 4.809 -45.152 3.862 398 3HG1 VAL 48 HG12 VAL 48 4.725 -43.805 5.002 399 1HG2 VAL 48 HG21 VAL 48 5.082 -46.675 7.181 400 2HG2 VAL 48 HG22 VAL 48 4.140 -45.221 6.832 401 3HG2 VAL 48 HG23 VAL 48 4.065 -46.608 5.743 402 H LYS 49 HN LYS 49 7.939 -47.805 7.052 403 HA LYS 49 HA LYS 49 10.348 -46.392 7.344 404 1HB LYS 49 HB1 LYS 49 9.639 -49.210 8.111 405 2HB LYS 49 HB2 LYS 49 11.187 -48.519 8.527 406 1HG LYS 49 HG1 LYS 49 9.826 -46.580 9.612 407 2HG LYS 49 HG2 LYS 49 8.442 -47.639 9.446 408 1HD LYS 49 HD1 LYS 49 10.961 -48.357 10.979 409 2HD LYS 49 HD2 LYS 49 9.518 -47.683 11.705 410 1HE LYS 49 HE1 LYS 49 8.226 -49.665 10.956 411 2HE LYS 49 HE2 LYS 49 9.704 -50.360 10.289 412 1HZ LYS 49 HZ1 LYS 49 10.720 -50.214 12.470 413 2HZ LYS 49 HZ2 LYS 49 9.301 -49.561 13.113 414 3HZ LYS 49 HZ3 LYS 49 9.314 -51.155 12.543 415 H ALA 50 HN ALA 50 10.081 -49.525 5.591 416 HA ALA 50 HA ALA 50 12.596 -49.684 4.287 417 1HB ALA 50 HB2 ALA 50 10.794 -51.392 4.270 418 2HB ALA 50 HB3 ALA 50 9.835 -50.370 3.225 419 3HB ALA 50 HB1 ALA 50 11.355 -51.046 2.650 420 H PHE 51 HN PHE 51 9.621 -48.077 3.116 421 HA PHE 51 HA PHE 51 10.520 -46.834 0.798 422 1HB PHE 51 HB1 PHE 51 8.155 -47.015 1.952 423 2HB PHE 51 HB2 PHE 51 8.581 -45.507 2.721 424 HD1 PHE 51 HD1 PHE 51 9.264 -43.500 1.038 425 HD2 PHE 51 HD2 PHE 51 6.934 -46.881 -0.104 426 HE1 PHE 51 HE1 PHE 51 8.903 -42.541 -1.186 427 HE2 PHE 51 HE2 PHE 51 6.530 -45.953 -2.169 428 HZ PHE 51 HZ PHE 51 7.585 -43.807 -2.855 429 H LYS 52 HN LYS 52 10.411 -45.309 4.073 430 HA LYS 52 HA LYS 52 11.542 -42.897 3.267 431 1HB LYS 52 HB1 LYS 52 10.205 -43.241 5.318 432 2HB LYS 52 HB2 LYS 52 11.507 -44.159 6.027 433 1HG LYS 52 HG1 LYS 52 11.417 -41.921 6.985 434 2HG LYS 52 HG2 LYS 52 12.922 -42.137 6.117 435 1HD LYS 52 HD1 LYS 52 12.079 -40.822 4.233 436 2HD LYS 52 HD2 LYS 52 10.500 -40.679 4.994 437 1HE LYS 52 HE1 LYS 52 11.387 -39.327 6.763 438 2HE LYS 52 HE2 LYS 52 13.049 -39.656 6.275 439 1HZ LYS 52 HZ2 LYS 52 12.536 -38.624 4.122 440 2HZ LYS 52 HZ3 LYS 52 10.956 -38.199 4.613 441 3HZ LYS 52 HZ1 LYS 52 12.329 -37.525 5.391 442 H ASP 53 HN ASP 53 13.290 -45.793 4.645 443 HA ASP 53 HA ASP 53 15.772 -44.332 4.443 444 1HB ASP 53 HB1 ASP 53 15.165 -47.173 5.159 445 2HB ASP 53 HB2 ASP 53 16.824 -46.641 4.887 446 H CYS 54 HN CYS 54 14.374 -46.753 2.166 447 HA CYS 54 HA CYS 54 16.356 -46.309 0.211 448 1HB CYS 54 HB1 CYS 54 13.552 -47.262 0.143 449 2HB CYS 54 HB2 CYS 54 14.332 -46.864 -1.364 450 H CYS 55 HN CYS 55 13.452 -44.231 0.822 451 HA CYS 55 HA CYS 55 13.948 -42.255 -1.073 452 1HB CYS 55 HB1 CYS 55 11.989 -42.176 0.296 453 2HB CYS 55 HB2 CYS 55 12.946 -42.074 1.753 454 OH TYR 56 OH TYR 56 15.201 -39.666 7.689 455 H TYR 56 HN TYR 56 15.529 -42.391 2.200 456 HA TYR 56 HA TYR 56 17.392 -40.357 1.746 457 1HB TYR 56 HB1 TYR 56 17.846 -42.943 3.249 458 2HB TYR 56 HB2 TYR 56 18.949 -41.585 3.288 459 HD1 TYR 56 HD1 TYR 56 16.831 -39.297 3.541 460 HD2 TYR 56 HD2 TYR 56 17.282 -43.020 5.555 461 HE1 TYR 56 HE1 TYR 56 15.688 -38.397 5.511 462 HE2 TYR 56 HE2 TYR 56 16.114 -42.115 7.490 463 HH TYR 56 HH TYR 56 15.140 -40.327 8.380 464 H ILE 57 HN ILE 57 17.890 -43.800 0.808 465 HA ILE 57 HA ILE 57 20.257 -43.346 -0.675 466 HB ILE 57 HB ILE 57 18.106 -45.380 -1.266 467 1HG1 ILE 57 HG11 ILE 57 18.758 -45.843 0.914 468 2HG1 ILE 57 HG12 ILE 57 19.633 -46.996 -0.062 469 1HG2 ILE 57 HG23 ILE 57 20.988 -45.446 -2.203 470 2HG2 ILE 57 HG21 ILE 57 19.848 -46.779 -2.338 471 3HG2 ILE 57 HG22 ILE 57 19.561 -45.291 -3.217 472 1HD1 ILE 57 HD13 ILE 57 21.675 -45.541 0.128 473 2HD1 ILE 57 HD11 ILE 57 20.745 -44.468 1.176 474 3HD1 ILE 57 HD12 ILE 57 21.095 -46.112 1.695 475 H ALA 58 HN ALA 58 16.996 -43.211 -1.917 476 HA ALA 58 HA ALA 58 17.495 -42.396 -4.568 477 1HB ALA 58 HB1 ALA 58 15.267 -43.012 -3.803 478 2HB ALA 58 HB2 ALA 58 15.172 -41.542 -2.841 479 3HB ALA 58 HB3 ALA 58 15.253 -41.447 -4.602 480 H ASN 59 HN ASN 59 17.056 -40.174 -1.776 481 HA ASN 59 HA ASN 59 17.796 -37.818 -3.212 482 1HB ASN 59 HB1 ASN 59 17.836 -38.368 -0.235 483 2HB ASN 59 HB2 ASN 59 18.174 -36.796 -0.953 484 1HD2 ASN 59 HD21 ASN 59 14.536 -37.666 -0.097 485 2HD2 ASN 59 HD22 ASN 59 15.477 -39.107 -0.358 486 H GLN 60 HN GLN 60 19.853 -40.050 -1.309 487 HA GLN 60 HA GLN 60 22.305 -38.729 -1.647 488 1HB GLN 60 HB1 GLN 60 21.808 -40.672 -0.149 489 2HB GLN 60 HB2 GLN 60 21.796 -41.711 -1.556 490 1HG GLN 60 HG1 GLN 60 24.235 -41.091 -1.961 491 2HG GLN 60 HG2 GLN 60 24.188 -40.170 -0.468 492 1HE2 GLN 60 HE21 GLN 60 24.221 -44.214 -0.207 493 2HE2 GLN 60 HE22 GLN 60 23.759 -43.501 -1.723 494 H VAL 61 HN VAL 61 20.934 -41.273 -3.871 495 HA VAL 61 HA VAL 61 23.037 -40.849 -5.768 496 HB VAL 61 HB VAL 61 21.868 -42.205 -7.359 497 1HG1 VAL 61 HG11 VAL 61 23.275 -43.300 -5.704 498 2HG1 VAL 61 HG12 VAL 61 21.923 -43.401 -4.578 499 3HG1 VAL 61 HG13 VAL 61 21.892 -44.318 -6.080 500 1HG2 VAL 61 HG22 VAL 61 19.512 -41.669 -6.945 501 2HG2 VAL 61 HG23 VAL 61 19.789 -43.400 -6.814 502 3HG2 VAL 61 HG21 VAL 61 19.618 -42.426 -5.358 503 NH1 ARG 62 NH1 ARG 62 15.283 -32.258 -6.965 504 NH2 ARG 62 NH2 ARG 62 14.367 -34.113 -7.604 505 H ARG 62 HN ARG 62 19.824 -39.276 -5.579 506 HA ARG 62 HA ARG 62 20.173 -37.711 -7.911 507 1HB ARG 62 HB1 ARG 62 18.034 -37.884 -6.812 508 2HB ARG 62 HB2 ARG 62 18.664 -37.149 -5.357 509 1HG ARG 62 HG1 ARG 62 18.855 -34.988 -6.406 510 2HG ARG 62 HG2 ARG 62 18.534 -35.652 -7.997 511 1HD ARG 62 HD1 ARG 62 16.245 -36.063 -7.477 512 2HD ARG 62 HD2 ARG 62 16.502 -35.792 -5.754 513 HE ARG 62 HE ARG 62 17.300 -33.422 -6.937 514 1HH1 ARG 62 HH12 ARG 62 16.051 -31.720 -6.660 515 2HH1 ARG 62 HH11 ARG 62 14.365 -31.860 -7.137 516 1HH2 ARG 62 HH22 ARG 62 14.422 -35.096 -7.853 517 2HH2 ARG 62 HH21 ARG 62 13.528 -33.593 -7.740 518 H ALA 63 HN ALA 63 21.279 -36.934 -4.550 519 HA ALA 63 HA ALA 63 22.687 -34.584 -5.333 520 1HB ALA 63 HB1 ALA 63 22.036 -35.002 -3.017 521 2HB ALA 63 HB2 ALA 63 23.091 -36.409 -2.941 522 3HB ALA 63 HB3 ALA 63 23.783 -34.797 -3.117 523 H GLU 64 HN GLU 64 23.917 -37.909 -4.844 524 HA GLU 64 HA GLU 64 25.636 -39.072 -5.662 525 1HB GLU 64 HB1 GLU 64 24.669 -38.365 -7.804 526 2HB GLU 64 HB2 GLU 64 25.764 -36.998 -7.849 527 1HG GLU 64 HG1 GLU 64 27.722 -38.586 -7.923 528 2HG GLU 64 HG2 GLU 64 26.603 -39.940 -7.891 529 H GLN 65 HN GLN 65 26.638 -35.664 -5.786 530 HA GLN 65 HA GLN 65 29.339 -36.471 -4.884 531 1HB GLN 65 HB1 GLN 65 30.114 -34.270 -5.672 532 2HB GLN 65 HB2 GLN 65 29.440 -35.278 -6.921 533 1HG GLN 65 HG1 GLN 65 28.430 -33.349 -7.587 534 2HG GLN 65 HG2 GLN 65 27.225 -33.770 -6.395 535 1HE2 GLN 65 HE21 GLN 65 28.345 -31.101 -4.207 536 2HE2 GLN 65 HE22 GLN 65 27.701 -32.716 -4.072 Start of MODEL 31 Raw file had 536 H/Q atoms 1 1H MET 1 HT2 MET 1 15.777 -44.062 9.422 2 2H MET 1 HT1 MET 1 15.329 -42.406 9.453 3 3H MET 1 HT3 MET 1 16.709 -42.886 8.609 4 HA MET 1 HA MET 1 17.325 -41.875 10.668 5 1HB MET 1 HB1 MET 1 15.584 -44.061 11.860 6 2HB MET 1 HB2 MET 1 16.680 -43.068 12.791 7 1HG MET 1 HG1 MET 1 14.290 -42.004 11.245 8 2HG MET 1 HG2 MET 1 14.314 -42.340 12.958 9 1HE MET 1 HE2 MET 1 14.544 -40.481 14.626 10 2HE MET 1 HE3 MET 1 16.222 -41.067 14.623 11 3HE MET 1 HE1 MET 1 15.880 -39.347 14.567 12 H LEU 2 HN LEU 2 17.081 -45.467 10.251 13 HA LEU 2 HA LEU 2 19.937 -45.589 11.002 14 1HB LEU 2 HB1 LEU 2 17.696 -47.347 11.998 15 2HB LEU 2 HB2 LEU 2 19.375 -47.798 12.166 16 HG LEU 2 HG LEU 2 18.187 -45.289 13.376 17 1HD1 LEU 2 HD13 LEU 2 17.148 -47.297 14.351 18 2HD1 LEU 2 HD11 LEU 2 18.739 -47.990 14.657 19 3HD1 LEU 2 HD12 LEU 2 18.228 -46.538 15.511 20 1HD2 LEU 2 HD22 LEU 2 20.820 -46.716 13.927 21 2HD2 LEU 2 HD23 LEU 2 20.648 -45.169 13.100 22 3HD2 LEU 2 HD21 LEU 2 20.212 -45.309 14.792 23 H GLN 3 HN GLN 3 21.169 -46.508 9.663 24 HA GLN 3 HA GLN 3 20.697 -47.977 7.363 25 1HB GLN 3 HB1 GLN 3 22.822 -46.864 8.066 26 2HB GLN 3 HB2 GLN 3 23.104 -48.160 9.205 27 1HG GLN 3 HG1 GLN 3 24.466 -48.533 7.248 28 2HG GLN 3 HG2 GLN 3 23.233 -49.777 7.259 29 1HE2 GLN 3 HE21 GLN 3 22.032 -48.718 4.099 30 2HE2 GLN 3 HE22 GLN 3 21.962 -49.971 5.302 31 H LYS 4 HN LYS 4 21.303 -49.211 10.593 32 HA LYS 4 HA LYS 4 21.004 -51.955 10.299 33 1HB LYS 4 HB1 LYS 4 21.715 -50.738 12.335 34 2HB LYS 4 HB2 LYS 4 20.081 -50.153 12.568 35 1HG LYS 4 HG1 LYS 4 19.293 -52.456 12.974 36 2HG LYS 4 HG2 LYS 4 20.905 -53.076 12.655 37 1HD LYS 4 HD1 LYS 4 21.783 -51.842 14.590 38 2HD LYS 4 HD2 LYS 4 20.214 -51.122 14.878 39 1HE LYS 4 HE1 LYS 4 20.658 -54.113 14.944 40 2HE LYS 4 HE2 LYS 4 20.897 -53.095 16.357 41 1HZ LYS 4 HZ2 LYS 4 18.602 -52.282 16.051 42 2HZ LYS 4 HZ3 LYS 4 18.298 -53.386 14.788 43 3HZ LYS 4 HZ1 LYS 4 18.657 -53.941 16.352 44 H LYS 5 HN LYS 5 18.342 -49.543 10.556 45 HA LYS 5 HA LYS 5 16.258 -51.499 10.514 46 1HB LYS 5 HB1 LYS 5 16.346 -48.526 10.391 47 2HB LYS 5 HB2 LYS 5 14.889 -49.325 9.875 48 1HG LYS 5 HG1 LYS 5 15.722 -50.548 12.371 49 2HG LYS 5 HG2 LYS 5 15.820 -48.815 12.562 50 1HD LYS 5 HD1 LYS 5 13.653 -49.679 13.293 51 2HD LYS 5 HD2 LYS 5 13.481 -48.557 11.963 52 1HE LYS 5 HE1 LYS 5 11.933 -50.317 11.609 53 2HE LYS 5 HE2 LYS 5 13.182 -50.528 10.412 54 1HZ LYS 5 HZ3 LYS 5 14.230 -52.197 12.161 55 2HZ LYS 5 HZ1 LYS 5 12.697 -52.107 12.852 56 3HZ LYS 5 HZ2 LYS 5 12.849 -52.659 11.227 57 H ILE 6 HN ILE 6 17.690 -49.553 7.845 58 HA ILE 6 HA ILE 6 16.115 -50.784 5.801 59 HB ILE 6 HB ILE 6 19.000 -49.985 5.443 60 1HG1 ILE 6 HG11 ILE 6 17.633 -48.167 3.986 61 2HG1 ILE 6 HG12 ILE 6 16.435 -48.484 5.211 62 1HG2 ILE 6 HG22 ILE 6 16.949 -50.659 3.244 63 2HG2 ILE 6 HG23 ILE 6 18.528 -49.960 2.984 64 3HG2 ILE 6 HG21 ILE 6 18.395 -51.574 3.636 65 1HD1 ILE 6 HD13 ILE 6 19.294 -47.614 5.712 66 2HD1 ILE 6 HD11 ILE 6 17.881 -46.576 5.807 67 3HD1 ILE 6 HD12 ILE 6 18.094 -47.873 6.974 68 H GLU 7 HN GLU 7 19.278 -51.913 7.111 69 HA GLU 7 HA GLU 7 19.199 -54.414 5.815 70 1HB GLU 7 HB1 GLU 7 20.717 -53.464 8.216 71 2HB GLU 7 HB2 GLU 7 20.729 -55.161 7.798 72 1HG GLU 7 HG1 GLU 7 22.618 -54.454 6.662 73 2HG GLU 7 HG2 GLU 7 21.426 -54.317 5.387 74 H GLU 8 HN GLU 8 17.659 -53.681 9.014 75 HA GLU 8 HA GLU 8 16.778 -56.354 9.406 76 1HB GLU 8 HB1 GLU 8 15.499 -53.740 10.273 77 2HB GLU 8 HB2 GLU 8 14.977 -55.311 10.835 78 1HG GLU 8 HG1 GLU 8 16.972 -55.674 12.093 79 2HG GLU 8 HG2 GLU 8 17.834 -54.404 11.252 80 H GLU 9 HN GLU 9 15.103 -53.771 7.528 81 HA GLU 9 HA GLU 9 12.881 -55.636 6.919 82 1HB GLU 9 HB1 GLU 9 13.224 -52.878 5.824 83 2HB GLU 9 HB2 GLU 9 11.783 -53.868 5.877 84 1HG GLU 9 HG1 GLU 9 13.082 -52.288 8.101 85 2HG GLU 9 HG2 GLU 9 11.409 -52.308 7.608 86 H ALA 10 HN ALA 10 15.351 -54.028 4.851 87 HA ALA 10 HA ALA 10 15.014 -56.040 2.786 88 1HB ALA 10 HB1 ALA 10 17.194 -54.003 3.281 89 2HB ALA 10 HB2 ALA 10 17.051 -54.999 1.833 90 3HB ALA 10 HB3 ALA 10 15.792 -53.822 2.219 91 H ALA 11 HN ALA 11 16.743 -56.669 5.843 92 HA ALA 11 HA ALA 11 17.797 -59.059 4.774 93 1HB ALA 11 HB3 ALA 11 18.172 -58.384 7.117 94 2HB ALA 11 HB1 ALA 11 16.479 -58.631 7.491 95 3HB ALA 11 HB2 ALA 11 17.492 -60.012 7.048 96 H LYS 12 HN LYS 12 14.484 -58.203 5.577 97 HA LYS 12 HA LYS 12 13.474 -60.912 5.484 98 1HB LYS 12 HB1 LYS 12 12.021 -58.271 5.724 99 2HB LYS 12 HB2 LYS 12 11.294 -59.849 5.913 100 1HG LYS 12 HG1 LYS 12 12.769 -60.252 7.905 101 2HG LYS 12 HG2 LYS 12 13.380 -58.612 7.734 102 1HD LYS 12 HD1 LYS 12 10.921 -57.843 7.872 103 2HD LYS 12 HD2 LYS 12 10.546 -59.480 8.375 104 1HE LYS 12 HE1 LYS 12 10.759 -58.303 10.399 105 2HE LYS 12 HE2 LYS 12 12.297 -59.140 10.231 106 1HZ LYS 12 HZ2 LYS 12 13.248 -57.098 9.204 107 2HZ LYS 12 HZ3 LYS 12 11.758 -56.295 9.393 108 3HZ LYS 12 HZ1 LYS 12 12.630 -56.789 10.765 109 OH TYR 13 OH TYR 13 17.112 -56.917 -2.014 110 H TYR 13 HN TYR 13 14.586 -60.758 3.207 111 HA TYR 13 HA TYR 13 12.993 -59.996 0.977 112 1HB TYR 13 HB1 TYR 13 15.371 -61.738 1.430 113 2HB TYR 13 HB2 TYR 13 14.458 -62.036 -0.029 114 HD1 TYR 13 HD1 TYR 13 15.317 -58.674 1.695 115 HD2 TYR 13 HD2 TYR 13 15.653 -61.145 -1.786 116 HE1 TYR 13 HE1 TYR 13 16.403 -56.885 0.496 117 HE2 TYR 13 HE2 TYR 13 16.734 -59.277 -2.967 118 HH TYR 13 HH TYR 13 17.098 -56.087 -1.478 119 H LYS 14 HN LYS 14 12.580 -62.703 3.096 120 HA LYS 14 HA LYS 14 10.517 -64.039 1.713 121 1HB LYS 14 HB1 LYS 14 11.544 -64.914 3.752 122 2HB LYS 14 HB2 LYS 14 10.962 -63.551 4.682 123 1HG LYS 14 HG1 LYS 14 9.615 -65.449 5.219 124 2HG LYS 14 HG2 LYS 14 8.612 -64.339 4.334 125 1HD LYS 14 HD1 LYS 14 9.674 -66.104 2.363 126 2HD LYS 14 HD2 LYS 14 9.327 -67.108 3.747 127 1HE LYS 14 HE1 LYS 14 7.327 -67.176 2.562 128 2HE LYS 14 HE2 LYS 14 7.005 -65.956 3.786 129 1HZ LYS 14 HZ1 LYS 14 7.731 -64.216 2.082 130 2HZ LYS 14 HZ2 LYS 14 7.836 -65.486 0.979 131 3HZ LYS 14 HZ3 LYS 14 6.338 -65.098 1.652 132 OH TYR 15 OH TYR 15 6.005 -63.213 8.190 133 H TYR 15 HN TYR 15 10.399 -60.978 3.539 134 HA TYR 15 HA TYR 15 7.543 -60.671 2.888 135 1HB TYR 15 HB1 TYR 15 9.303 -59.234 4.880 136 2HB TYR 15 HB2 TYR 15 7.701 -58.679 4.446 137 HD1 TYR 15 HD1 TYR 15 9.520 -60.975 6.552 138 HD2 TYR 15 HD2 TYR 15 5.756 -60.398 4.681 139 HE1 TYR 15 HE1 TYR 15 8.481 -62.548 8.141 140 HE2 TYR 15 HE2 TYR 15 4.726 -61.958 6.280 141 HH TYR 15 HH TYR 15 5.069 -63.314 8.011 142 H ALA 16 HN ALA 16 8.272 -60.670 0.847 143 HA ALA 16 HA ALA 16 10.064 -59.027 -0.480 144 1HB ALA 16 HB3 ALA 16 7.595 -60.436 -1.550 145 2HB ALA 16 HB1 ALA 16 8.916 -59.812 -2.534 146 3HB ALA 16 HB2 ALA 16 9.214 -61.114 -1.391 147 H MET 17 HN MET 17 6.627 -58.477 -0.030 148 HA MET 17 HA MET 17 6.384 -56.074 -1.540 149 1HB MET 17 HB1 MET 17 4.550 -57.658 -0.871 150 2HB MET 17 HB2 MET 17 4.682 -57.064 0.774 151 1HG MET 17 HG1 MET 17 4.012 -54.810 0.039 152 2HG MET 17 HG2 MET 17 3.966 -55.344 -1.629 153 1HE MET 17 HE2 MET 17 2.300 -57.467 -2.386 154 2HE MET 17 HE3 MET 17 0.636 -57.018 -2.059 155 3HE MET 17 HE1 MET 17 1.729 -55.819 -2.729 156 H LEU 18 HN LEU 18 7.501 -56.629 1.771 157 HA LEU 18 HA LEU 18 7.097 -53.825 2.513 158 1HB LEU 18 HB1 LEU 18 8.107 -56.141 4.190 159 2HB LEU 18 HB2 LEU 18 7.697 -54.540 4.777 160 HG LEU 18 HG LEU 18 5.730 -56.484 3.510 161 1HD1 LEU 18 HD11 LEU 18 6.454 -57.241 5.732 162 2HD1 LEU 18 HD12 LEU 18 6.043 -55.664 6.399 163 3HD1 LEU 18 HD13 LEU 18 4.778 -56.706 5.760 164 1HD2 LEU 18 HD23 LEU 18 5.245 -53.811 4.857 165 2HD2 LEU 18 HD21 LEU 18 5.030 -54.144 3.145 166 3HD2 LEU 18 HD22 LEU 18 3.980 -54.922 4.323 167 H LYS 19 HN LYS 19 9.978 -56.059 2.321 168 HA LYS 19 HA LYS 19 11.730 -53.855 2.165 169 1HB LYS 19 HB1 LYS 19 13.351 -55.309 1.157 170 2HB LYS 19 HB2 LYS 19 12.490 -56.194 2.390 171 1HG LYS 19 HG1 LYS 19 12.489 -57.831 0.824 172 2HG LYS 19 HG2 LYS 19 11.059 -57.003 0.252 173 1HD LYS 19 HD1 LYS 19 12.415 -55.788 -1.430 174 2HD LYS 19 HD2 LYS 19 13.859 -56.567 -0.830 175 1HE LYS 19 HE1 LYS 19 12.819 -58.782 -1.462 176 2HE LYS 19 HE2 LYS 19 11.499 -57.871 -2.204 177 1HZ LYS 19 HZ2 LYS 19 13.122 -56.689 -3.541 178 2HZ LYS 19 HZ3 LYS 19 14.383 -57.566 -2.830 179 3HZ LYS 19 HZ1 LYS 19 13.256 -58.357 -3.818 180 H LYS 20 HN LYS 20 9.668 -55.107 -0.584 181 HA LYS 20 HA LYS 20 10.670 -53.227 -2.440 182 1HB LYS 20 HB1 LYS 20 9.144 -55.200 -2.892 183 2HB LYS 20 HB2 LYS 20 7.828 -54.243 -2.270 184 1HG LYS 20 HG1 LYS 20 9.344 -52.907 -4.431 185 2HG LYS 20 HG2 LYS 20 8.579 -54.404 -4.925 186 1HD LYS 20 HD1 LYS 20 6.398 -53.544 -4.056 187 2HD LYS 20 HD2 LYS 20 7.172 -52.023 -3.664 188 1HE LYS 20 HE1 LYS 20 7.033 -53.171 -6.466 189 2HE LYS 20 HE2 LYS 20 5.876 -52.022 -5.804 190 1HZ LYS 20 HZ2 LYS 20 7.709 -50.423 -5.366 191 2HZ LYS 20 HZ3 LYS 20 8.801 -51.561 -6.008 192 3HZ LYS 20 HZ1 LYS 20 7.635 -50.866 -7.015 193 H CYS 21 HN CYS 21 7.977 -52.688 0.055 194 HA CYS 21 HA CYS 21 7.609 -49.992 -0.332 195 1HB CYS 21 HB1 CYS 21 7.904 -51.502 2.262 196 2HB CYS 21 HB2 CYS 21 7.416 -49.828 2.195 197 H CYS 22 HN CYS 22 10.329 -51.335 1.612 198 HA CYS 22 HA CYS 22 12.050 -49.052 1.787 199 1HB CYS 22 HB1 CYS 22 12.397 -51.527 2.533 200 2HB CYS 22 HB2 CYS 22 13.382 -51.514 1.124 201 OH TYR 23 OH TYR 23 16.973 -54.605 -0.813 202 H TYR 23 HN TYR 23 11.935 -51.145 -0.981 203 HA TYR 23 HA TYR 23 13.682 -49.347 -2.330 204 1HB TYR 23 HB1 TYR 23 12.186 -51.711 -3.349 205 2HB TYR 23 HB2 TYR 23 13.544 -50.922 -4.126 206 HD1 TYR 23 HD1 TYR 23 13.752 -53.584 -3.744 207 HD2 TYR 23 HD2 TYR 23 14.466 -50.897 -0.447 208 HE1 TYR 23 HE1 TYR 23 15.565 -55.046 -2.897 209 HE2 TYR 23 HE2 TYR 23 16.292 -52.282 0.226 210 HH TYR 23 HH TYR 23 17.423 -54.171 -0.082 211 H ASP 24 HN ASP 24 10.151 -49.506 -2.438 212 HA ASP 24 HA ASP 24 9.661 -47.382 -4.237 213 1HB ASP 24 HB1 ASP 24 8.196 -47.832 -1.600 214 2HB ASP 24 HB2 ASP 24 7.695 -46.814 -2.923 215 H GLY 25 HN GLY 25 10.394 -47.088 -0.735 216 1HA GLY 25 HA1 GLY 25 10.718 -44.298 -0.613 217 2HA GLY 25 HA2 GLY 25 11.515 -45.436 0.445 218 H ALA 26 HN ALA 26 13.205 -46.713 -1.326 219 HA ALA 26 HA ALA 26 15.367 -44.938 -1.713 220 1HB ALA 26 HB2 ALA 26 15.698 -47.338 -1.412 221 2HB ALA 26 HB3 ALA 26 14.932 -47.657 -2.968 222 3HB ALA 26 HB1 ALA 26 16.463 -46.795 -2.899 223 OH TYR 27 OH TYR 27 16.424 -49.792 -8.702 224 H TYR 27 HN TYR 27 13.152 -46.212 -4.303 225 HA TYR 27 HA TYR 27 14.463 -44.650 -6.312 226 1HB TYR 27 HB1 TYR 27 11.972 -46.329 -6.299 227 2HB TYR 27 HB2 TYR 27 12.354 -45.331 -7.684 228 HD1 TYR 27 HD1 TYR 27 13.340 -48.298 -5.772 229 HD2 TYR 27 HD2 TYR 27 14.430 -45.789 -9.018 230 HE1 TYR 27 HE1 TYR 27 14.913 -50.015 -6.574 231 HE2 TYR 27 HE2 TYR 27 16.007 -47.513 -9.810 232 HH TYR 27 HH TYR 27 16.410 -50.557 -8.126 233 NH1 ARG 28 NH1 ARG 28 8.771 -38.734 -4.317 234 NH2 ARG 28 NH2 ARG 28 9.459 -37.821 -2.499 235 H ARG 28 HN ARG 28 14.270 -42.667 -4.830 236 HA ARG 28 HA ARG 28 11.955 -41.029 -5.230 237 1HB ARG 28 HB1 ARG 28 14.722 -40.509 -4.218 238 2HB ARG 28 HB2 ARG 28 13.692 -39.150 -4.603 239 1HG ARG 28 HG1 ARG 28 12.554 -41.309 -2.845 240 2HG ARG 28 HG2 ARG 28 13.749 -40.234 -2.168 241 1HD ARG 28 HD1 ARG 28 11.666 -39.323 -1.614 242 2HD ARG 28 HD2 ARG 28 12.352 -38.286 -2.843 243 HE ARG 28 HE ARG 28 10.626 -40.180 -4.114 244 1HH1 ARG 28 HH12 ARG 28 8.778 -39.402 -5.062 245 2HH1 ARG 28 HH11 ARG 28 8.003 -38.069 -4.234 246 1HH2 ARG 28 HH22 ARG 28 10.137 -37.704 -1.787 247 2HH2 ARG 28 HH21 ARG 28 8.594 -37.327 -2.504 248 H ASN 29 HN ASN 29 11.520 -39.434 -6.635 249 HA ASN 29 HA ASN 29 13.095 -38.970 -9.003 250 1HB ASN 29 HB1 ASN 29 11.619 -40.183 -10.594 251 2HB ASN 29 HB2 ASN 29 12.455 -41.254 -9.498 252 1HD2 ASN 29 HD21 ASN 29 9.256 -41.213 -7.555 253 2HD2 ASN 29 HD22 ASN 29 10.701 -42.189 -7.503 254 H ASP 30 HN ASP 30 9.663 -38.992 -8.027 255 HA ASP 30 HA ASP 30 8.957 -36.858 -9.778 256 1HB ASP 30 HB1 ASP 30 6.675 -37.221 -8.801 257 2HB ASP 30 HB2 ASP 30 7.424 -38.646 -9.492 258 H ASP 31 HN ASP 31 9.306 -36.859 -6.165 259 HA ASP 31 HA ASP 31 9.393 -33.960 -6.296 260 1HB ASP 31 HB1 ASP 31 7.558 -33.519 -4.875 261 2HB ASP 31 HB2 ASP 31 6.954 -34.739 -5.968 262 H GLU 32 HN GLU 32 9.765 -33.131 -3.863 263 HA GLU 32 HA GLU 32 11.942 -34.592 -2.713 264 1HB GLU 32 HB1 GLU 32 10.647 -31.980 -1.976 265 2HB GLU 32 HB2 GLU 32 11.882 -32.700 -0.966 266 1HG GLU 32 HG1 GLU 32 12.306 -32.089 -3.927 267 2HG GLU 32 HG2 GLU 32 12.758 -30.995 -2.632 268 H THR 33 HN THR 33 8.550 -34.308 -1.672 269 HA THR 33 HA THR 33 9.228 -35.145 1.045 270 HB THR 33 HB THR 33 6.822 -34.769 1.543 271 HG1 THR 33 HG1 THR 33 6.620 -34.495 -1.206 272 1HG2 THR 33 HG23 THR 33 8.437 -32.977 1.924 273 2HG2 THR 33 HG21 THR 33 8.228 -32.435 0.253 274 3HG2 THR 33 HG22 THR 33 6.877 -32.349 1.376 275 H CYS 34 HN CYS 34 9.418 -37.203 1.485 276 HA CYS 34 HA CYS 34 8.405 -39.372 -0.012 277 1HB CYS 34 HB1 CYS 34 9.562 -39.227 2.772 278 2HB CYS 34 HB2 CYS 34 9.081 -40.739 2.027 279 H GLU 35 HN GLU 35 7.063 -37.800 2.831 280 HA GLU 35 HA GLU 35 4.996 -39.784 3.184 281 1HB GLU 35 HB1 GLU 35 3.974 -38.290 4.864 282 2HB GLU 35 HB2 GLU 35 5.584 -38.846 5.212 283 1HG GLU 35 HG1 GLU 35 5.027 -36.040 4.136 284 2HG GLU 35 HG2 GLU 35 5.063 -36.417 5.849 285 H GLU 36 HN GLU 36 5.142 -37.213 0.917 286 HA GLU 36 HA GLU 36 2.308 -37.043 0.471 287 1HB GLU 36 HB1 GLU 36 3.682 -35.323 -0.404 288 2HB GLU 36 HB2 GLU 36 4.788 -36.432 -1.155 289 1HG GLU 36 HG1 GLU 36 3.427 -35.186 -2.803 290 2HG GLU 36 HG2 GLU 36 3.215 -36.913 -2.953 291 NH1 ARG 37 NH1 ARG 37 9.816 -42.219 -2.986 292 NH2 ARG 37 NH2 ARG 37 8.645 -43.524 -4.258 293 H ARG 37 HN ARG 37 4.803 -38.801 -1.358 294 HA ARG 37 HA ARG 37 3.193 -40.714 -2.598 295 1HB ARG 37 HB1 ARG 37 6.074 -40.799 -1.700 296 2HB ARG 37 HB2 ARG 37 5.324 -42.197 -2.425 297 1HG ARG 37 HG1 ARG 37 4.703 -40.513 -4.369 298 2HG ARG 37 HG2 ARG 37 6.011 -39.560 -3.689 299 1HD ARG 37 HD1 ARG 37 6.235 -42.455 -4.554 300 2HD ARG 37 HD2 ARG 37 6.779 -41.072 -5.505 301 HE ARG 37 HE ARG 37 8.158 -40.605 -3.291 302 1HH1 ARG 37 HH12 ARG 37 9.977 -41.349 -2.530 303 2HH1 ARG 37 HH11 ARG 37 10.448 -42.985 -2.920 304 1HH2 ARG 37 HH22 ARG 37 7.877 -43.689 -4.854 305 2HH2 ARG 37 HH21 ARG 37 9.358 -44.218 -4.062 306 H ALA 38 HN ALA 38 4.869 -41.126 0.599 307 HA ALA 38 HA ALA 38 3.237 -43.480 1.035 308 1HB ALA 38 HB2 ALA 38 5.592 -42.443 2.514 309 2HB ALA 38 HB3 ALA 38 4.646 -43.873 2.969 310 3HB ALA 38 HB1 ALA 38 5.410 -43.807 1.376 311 H ALA 39 HN ALA 39 2.313 -40.211 1.798 312 HA ALA 39 HA ALA 39 0.207 -41.256 3.360 313 1HB ALA 39 HB2 ALA 39 0.446 -38.854 2.921 314 2HB ALA 39 HB3 ALA 39 0.119 -39.108 1.214 315 3HB ALA 39 HB1 ALA 39 -1.148 -39.407 2.406 316 NH1 ARG 40 NH1 ARG 40 2.008 -40.265 -5.964 317 NH2 ARG 40 NH2 ARG 40 1.646 -38.478 -4.771 318 H ARG 40 HN ARG 40 0.592 -41.214 -0.224 319 HA ARG 40 HA ARG 40 -1.748 -42.831 -0.671 320 1HB ARG 40 HB1 ARG 40 0.643 -42.304 -2.428 321 2HB ARG 40 HB2 ARG 40 -0.748 -43.235 -2.948 322 1HG ARG 40 HG1 ARG 40 -1.830 -41.359 -3.535 323 2HG ARG 40 HG2 ARG 40 -1.761 -40.771 -1.889 324 1HD ARG 40 HD1 ARG 40 -0.817 -39.118 -3.386 325 2HD ARG 40 HD2 ARG 40 0.452 -39.754 -2.345 326 HE ARG 40 HE ARG 40 0.369 -41.319 -4.703 327 1HH1 ARG 40 HH12 ARG 40 1.818 -41.214 -6.163 328 2HH1 ARG 40 HH11 ARG 40 2.661 -39.734 -6.483 329 1HH2 ARG 40 HH22 ARG 40 1.161 -37.992 -4.024 330 2HH2 ARG 40 HH21 ARG 40 2.314 -38.018 -5.330 331 H ILE 41 HN ILE 41 1.697 -43.984 -0.638 332 HA ILE 41 HA ILE 41 1.031 -46.684 -0.454 333 HB ILE 41 HB ILE 41 3.689 -45.492 0.388 334 1HG1 ILE 41 HG11 ILE 41 4.001 -47.051 -1.899 335 2HG1 ILE 41 HG12 ILE 41 2.441 -46.252 -2.201 336 1HG2 ILE 41 HG21 ILE 41 2.897 -48.285 0.030 337 2HG2 ILE 41 HG22 ILE 41 4.555 -47.533 0.126 338 3HG2 ILE 41 HG23 ILE 41 3.428 -47.501 1.524 339 1HD1 ILE 41 HD12 ILE 41 4.799 -44.815 -1.173 340 2HD1 ILE 41 HD13 ILE 41 4.535 -45.025 -2.942 341 3HD1 ILE 41 HD11 ILE 41 3.385 -44.127 -1.935 342 H LYS 42 HN LYS 42 -0.352 -46.941 0.649 343 HA LYS 42 HA LYS 42 -0.679 -46.519 3.555 344 1HB LYS 42 HB1 LYS 42 -2.584 -47.095 1.296 345 2HB LYS 42 HB2 LYS 42 -3.087 -47.489 2.922 346 1HG LYS 42 HG1 LYS 42 -2.091 -44.727 2.197 347 2HG LYS 42 HG2 LYS 42 -3.762 -45.200 1.969 348 1HD LYS 42 HD1 LYS 42 -3.953 -45.736 4.380 349 2HD LYS 42 HD2 LYS 42 -2.288 -45.272 4.632 350 1HE LYS 42 HE1 LYS 42 -4.395 -43.369 3.581 351 2HE LYS 42 HE2 LYS 42 -4.024 -43.557 5.291 352 1HZ LYS 42 HZ3 LYS 42 -1.691 -43.057 4.751 353 2HZ LYS 42 HZ1 LYS 42 -2.081 -42.737 3.124 354 3HZ LYS 42 HZ2 LYS 42 -2.718 -41.764 4.373 355 H ILE 43 HN ILE 43 0.821 -48.980 2.203 356 HA ILE 43 HA ILE 43 -0.838 -51.251 2.575 357 HB ILE 43 HB ILE 43 2.139 -51.054 2.099 358 1HG1 ILE 43 HG11 ILE 43 -0.047 -51.826 0.151 359 2HG1 ILE 43 HG12 ILE 43 0.469 -50.169 0.341 360 1HG2 ILE 43 HG21 ILE 43 0.385 -53.532 1.912 361 2HG2 ILE 43 HG22 ILE 43 2.064 -53.432 1.395 362 3HG2 ILE 43 HG23 ILE 43 1.668 -53.272 3.088 363 1HD1 ILE 43 HD12 ILE 43 2.776 -50.810 -0.355 364 2HD1 ILE 43 HD13 ILE 43 2.232 -52.462 -0.610 365 3HD1 ILE 43 HD11 ILE 43 1.575 -51.164 -1.592 366 H GLY 44 HN GLY 44 1.690 -49.973 4.789 367 1HA GLY 44 HA1 GLY 44 0.235 -50.807 7.027 368 2HA GLY 44 HA2 GLY 44 1.423 -52.051 6.724 369 HA PRO 45 HA PRO 45 3.179 -48.548 9.628 370 1HB PRO 45 HB1 PRO 45 3.306 -51.070 11.313 371 2HB PRO 45 HB2 PRO 45 3.171 -49.375 11.822 372 1HG PRO 45 HG1 PRO 45 0.970 -50.814 11.754 373 2HG PRO 45 HG2 PRO 45 0.926 -49.204 11.004 374 1HD PRO 45 HD1 PRO 45 1.276 -51.907 9.667 375 2HD PRO 45 HD2 PRO 45 0.202 -50.560 9.225 376 H LYS 46 HN LYS 46 4.272 -51.910 9.321 377 HA LYS 46 HA LYS 46 7.066 -51.413 9.482 378 1HB LYS 46 HB1 LYS 46 5.818 -53.601 9.866 379 2HB LYS 46 HB2 LYS 46 5.752 -53.784 8.121 380 1HG LYS 46 HG1 LYS 46 8.266 -53.647 8.063 381 2HG LYS 46 HG2 LYS 46 8.272 -53.560 9.808 382 1HD LYS 46 HD1 LYS 46 7.188 -55.905 8.230 383 2HD LYS 46 HD2 LYS 46 8.815 -55.798 8.862 384 1HE LYS 46 HE1 LYS 46 7.906 -55.686 11.164 385 2HE LYS 46 HE2 LYS 46 6.271 -55.850 10.519 386 1HZ LYS 46 HZ2 LYS 46 8.494 -57.755 10.069 387 2HZ LYS 46 HZ3 LYS 46 7.203 -58.014 11.135 388 3HZ LYS 46 HZ1 LYS 46 6.927 -57.919 9.467 389 H CYS 47 HN CYS 47 4.840 -51.366 6.778 390 HA CYS 47 HA CYS 47 6.729 -51.145 4.659 391 1HB CYS 47 HB1 CYS 47 4.439 -51.799 4.201 392 2HB CYS 47 HB2 CYS 47 3.842 -50.303 4.872 393 H VAL 48 HN VAL 48 4.656 -48.398 5.968 394 HA VAL 48 HA VAL 48 6.176 -46.459 5.116 395 HB VAL 48 HB VAL 48 5.466 -45.604 7.823 396 1HG1 VAL 48 HG13 VAL 48 5.562 -44.165 5.659 397 2HG1 VAL 48 HG11 VAL 48 4.245 -45.188 5.062 398 3HG1 VAL 48 HG12 VAL 48 3.967 -44.083 6.415 399 1HG2 VAL 48 HG23 VAL 48 3.985 -47.356 7.946 400 2HG2 VAL 48 HG21 VAL 48 3.120 -45.823 7.812 401 3HG2 VAL 48 HG22 VAL 48 3.208 -46.914 6.429 402 H LYS 49 HN LYS 49 6.986 -48.158 8.144 403 HA LYS 49 HA LYS 49 9.315 -46.742 8.745 404 1HB LYS 49 HB1 LYS 49 8.200 -49.304 9.566 405 2HB LYS 49 HB2 LYS 49 9.945 -49.293 9.631 406 1HG LYS 49 HG1 LYS 49 8.377 -47.018 10.856 407 2HG LYS 49 HG2 LYS 49 8.523 -48.534 11.706 408 1HD LYS 49 HD1 LYS 49 10.471 -47.827 12.548 409 2HD LYS 49 HD2 LYS 49 11.168 -47.950 10.958 410 1HE LYS 49 HE1 LYS 49 9.776 -45.419 11.774 411 2HE LYS 49 HE2 LYS 49 11.403 -45.759 12.340 412 1HZ LYS 49 HZ3 LYS 49 12.155 -46.048 9.982 413 2HZ LYS 49 HZ1 LYS 49 10.575 -45.735 9.487 414 3HZ LYS 49 HZ2 LYS 49 11.446 -44.523 10.261 415 H ALA 50 HN ALA 50 9.310 -49.787 6.827 416 HA ALA 50 HA ALA 50 11.970 -49.795 5.855 417 1HB ALA 50 HB1 ALA 50 10.290 -51.597 5.566 418 2HB ALA 50 HB2 ALA 50 9.402 -50.596 4.439 419 3HB ALA 50 HB3 ALA 50 11.011 -51.185 4.032 420 H PHE 51 HN PHE 51 9.098 -48.188 4.428 421 HA PHE 51 HA PHE 51 10.234 -46.855 2.261 422 1HB PHE 51 HB1 PHE 51 7.757 -47.125 3.114 423 2HB PHE 51 HB2 PHE 51 8.047 -45.640 3.979 424 HD1 PHE 51 HD1 PHE 51 6.753 -46.922 0.945 425 HD2 PHE 51 HD2 PHE 51 8.910 -43.573 2.453 426 HE1 PHE 51 HE1 PHE 51 6.493 -45.909 -1.100 427 HE2 PHE 51 HE2 PHE 51 8.600 -42.457 0.289 428 HZ PHE 51 HZ PHE 51 7.414 -43.604 -1.531 429 H LYS 52 HN LYS 52 9.657 -45.355 5.530 430 HA LYS 52 HA LYS 52 11.043 -43.028 4.813 431 1HB LYS 52 HB1 LYS 52 9.814 -43.972 7.323 432 2HB LYS 52 HB2 LYS 52 11.072 -42.756 7.503 433 1HG LYS 52 HG1 LYS 52 9.873 -41.371 5.759 434 2HG LYS 52 HG2 LYS 52 8.565 -42.540 5.802 435 1HD LYS 52 HD1 LYS 52 8.113 -42.050 8.134 436 2HD LYS 52 HD2 LYS 52 9.530 -41.027 8.252 437 1HE LYS 52 HE1 LYS 52 7.215 -40.431 6.392 438 2HE LYS 52 HE2 LYS 52 7.291 -39.838 8.046 439 1HZ LYS 52 HZ1 LYS 52 9.345 -39.341 5.956 440 2HZ LYS 52 HZ2 LYS 52 8.224 -38.155 6.459 441 3HZ LYS 52 HZ3 LYS 52 9.394 -38.769 7.537 442 H ASP 53 HN ASP 53 12.411 -45.937 6.457 443 HA ASP 53 HA ASP 53 14.921 -44.599 6.912 444 1HB ASP 53 HB1 ASP 53 14.045 -47.476 7.062 445 2HB ASP 53 HB2 ASP 53 15.747 -47.052 7.193 446 H CYS 54 HN CYS 54 13.936 -46.810 4.216 447 HA CYS 54 HA CYS 54 16.231 -46.272 2.663 448 1HB CYS 54 HB1 CYS 54 13.500 -47.273 2.103 449 2HB CYS 54 HB2 CYS 54 14.477 -46.779 0.752 450 H CYS 55 HN CYS 55 13.188 -44.295 2.805 451 HA CYS 55 HA CYS 55 13.942 -42.241 1.092 452 1HB CYS 55 HB1 CYS 55 11.781 -42.329 2.261 453 2HB CYS 55 HB2 CYS 55 12.593 -41.985 3.773 454 OH TYR 56 OH TYR 56 14.423 -38.112 9.410 455 H TYR 56 HN TYR 56 14.993 -42.509 4.555 456 HA TYR 56 HA TYR 56 16.792 -40.355 4.479 457 1HB TYR 56 HB1 TYR 56 16.652 -42.823 6.154 458 2HB TYR 56 HB2 TYR 56 18.100 -41.837 6.244 459 HD1 TYR 56 HD1 TYR 56 18.098 -39.796 7.480 460 HD2 TYR 56 HD2 TYR 56 14.358 -41.621 6.594 461 HE1 TYR 56 HE1 TYR 56 16.945 -38.194 8.958 462 HE2 TYR 56 HE2 TYR 56 13.233 -40.017 8.062 463 HH TYR 56 HH TYR 56 13.480 -38.275 9.433 464 H ILE 57 HN ILE 57 17.615 -43.761 3.589 465 HA ILE 57 HA ILE 57 20.171 -43.147 2.546 466 HB ILE 57 HB ILE 57 18.205 -45.168 1.446 467 1HG1 ILE 57 HG11 ILE 57 18.562 -45.789 3.646 468 2HG1 ILE 57 HG12 ILE 57 19.584 -46.856 2.711 469 1HG2 ILE 57 HG21 ILE 57 21.191 -45.096 0.926 470 2HG2 ILE 57 HG22 ILE 57 20.122 -46.433 0.517 471 3HG2 ILE 57 HG23 ILE 57 19.918 -44.881 -0.266 472 1HD1 ILE 57 HD11 ILE 57 21.545 -45.391 3.299 473 2HD1 ILE 57 HD12 ILE 57 20.451 -44.431 4.296 474 3HD1 ILE 57 HD13 ILE 57 20.771 -46.112 4.709 475 H ALA 58 HN ALA 58 17.193 -43.064 0.729 476 HA ALA 58 HA ALA 58 18.119 -41.954 -1.709 477 1HB ALA 58 HB3 ALA 58 15.874 -42.805 -1.447 478 2HB ALA 58 HB1 ALA 58 15.463 -41.464 -0.383 479 3HB ALA 58 HB2 ALA 58 15.866 -41.164 -2.073 480 H ASN 59 HN ASN 59 17.033 -40.151 1.188 481 HA ASN 59 HA ASN 59 17.615 -37.566 0.325 482 1HB ASN 59 HB1 ASN 59 16.337 -38.309 2.406 483 2HB ASN 59 HB2 ASN 59 17.897 -38.434 3.204 484 1HD2 ASN 59 HD21 ASN 59 18.277 -35.337 3.992 485 2HD2 ASN 59 HD22 ASN 59 19.230 -35.913 2.659 486 H GLN 60 HN GLN 60 19.872 -39.842 1.945 487 HA GLN 60 HA GLN 60 22.157 -38.167 1.796 488 1HB GLN 60 HB1 GLN 60 21.919 -41.185 1.744 489 2HB GLN 60 HB2 GLN 60 23.449 -40.332 1.871 490 1HG GLN 60 HG1 GLN 60 22.739 -39.325 4.025 491 2HG GLN 60 HG2 GLN 60 21.160 -40.084 3.872 492 1HE2 GLN 60 HE21 GLN 60 24.264 -42.508 4.864 493 2HE2 GLN 60 HE22 GLN 60 24.645 -41.063 3.979 494 H VAL 61 HN VAL 61 20.978 -40.556 -0.598 495 HA VAL 61 HA VAL 61 22.992 -40.090 -2.538 496 HB VAL 61 HB VAL 61 20.207 -41.216 -2.873 497 1HG1 VAL 61 HG11 VAL 61 22.535 -41.412 -4.821 498 2HG1 VAL 61 HG12 VAL 61 21.018 -42.294 -4.952 499 3HG1 VAL 61 HG13 VAL 61 21.031 -40.548 -5.113 500 1HG2 VAL 61 HG21 VAL 61 22.904 -42.594 -2.584 501 2HG2 VAL 61 HG22 VAL 61 21.622 -42.558 -1.376 502 3HG2 VAL 61 HG23 VAL 61 21.374 -43.411 -2.892 503 NH1 ARG 62 NH1 ARG 62 14.319 -35.894 0.723 504 NH2 ARG 62 NH2 ARG 62 13.631 -36.075 -1.338 505 H ARG 62 HN ARG 62 19.696 -38.531 -2.416 506 HA ARG 62 HA ARG 62 20.271 -36.894 -4.674 507 1HB ARG 62 HB1 ARG 62 18.290 -35.669 -4.251 508 2HB ARG 62 HB2 ARG 62 17.990 -37.375 -4.009 509 1HG ARG 62 HG1 ARG 62 18.256 -36.933 -1.514 510 2HG ARG 62 HG2 ARG 62 18.211 -35.218 -1.886 511 1HD ARG 62 HD1 ARG 62 15.983 -35.454 -2.885 512 2HD ARG 62 HD2 ARG 62 16.022 -37.197 -2.585 513 HE ARG 62 HE ARG 62 16.447 -35.765 -0.128 514 1HH1 ARG 62 HH12 ARG 62 15.079 -35.819 1.398 515 2HH1 ARG 62 HH11 ARG 62 13.368 -35.877 0.989 516 1HH2 ARG 62 HH22 ARG 62 13.852 -36.121 -2.301 517 2HH2 ARG 62 HH21 ARG 62 12.678 -36.049 -0.997 518 H ALA 63 HN ALA 63 21.195 -36.374 -1.323 519 HA ALA 63 HA ALA 63 22.262 -33.737 -1.915 520 1HB ALA 63 HB3 ALA 63 22.655 -35.572 0.477 521 2HB ALA 63 HB1 ALA 63 23.214 -33.903 0.373 522 3HB ALA 63 HB2 ALA 63 21.490 -34.260 0.347 523 H GLU 64 HN GLU 64 23.867 -36.935 -1.218 524 HA GLU 64 HA GLU 64 26.373 -35.818 -2.288 525 1HB GLU 64 HB1 GLU 64 25.843 -38.464 -0.911 526 2HB GLU 64 HB2 GLU 64 27.418 -37.864 -1.375 527 1HG GLU 64 HG1 GLU 64 25.595 -36.611 0.733 528 2HG GLU 64 HG2 GLU 64 27.035 -37.558 1.052 529 H GLN 65 HN GLN 65 25.073 -35.768 -4.367 530 HA GLN 65 HA GLN 65 25.025 -38.267 -5.860 531 1HB GLN 65 HB1 GLN 65 23.883 -37.160 -7.550 532 2HB GLN 65 HB2 GLN 65 23.268 -36.480 -6.071 533 1HG GLN 65 HG1 GLN 65 25.189 -35.083 -7.994 534 2HG GLN 65 HG2 GLN 65 23.476 -34.777 -7.839 535 1HE2 GLN 65 HE21 GLN 65 25.912 -33.227 -4.990 536 2HE2 GLN 65 HE22 GLN 65 26.529 -34.560 -5.939 Start of MODEL 32 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 16.750 -42.929 6.470 2 2H MET 1 HT3 MET 1 15.686 -43.902 7.393 3 3H MET 1 HT2 MET 1 15.202 -42.360 6.849 4 HA MET 1 HA MET 1 16.851 -41.339 8.271 5 1HB MET 1 HB1 MET 1 15.060 -43.376 9.642 6 2HB MET 1 HB2 MET 1 15.843 -42.038 10.457 7 1HG MET 1 HG1 MET 1 14.558 -40.418 9.144 8 2HG MET 1 HG2 MET 1 13.805 -41.707 8.224 9 1HE MET 1 HE3 MET 1 12.470 -43.763 9.583 10 2HE MET 1 HE1 MET 1 11.078 -43.090 10.409 11 3HE MET 1 HE2 MET 1 11.453 -42.545 8.781 12 H LEU 2 HN LEU 2 16.873 -44.928 8.783 13 HA LEU 2 HA LEU 2 19.616 -44.618 9.821 14 1HB LEU 2 HB1 LEU 2 17.357 -46.205 11.022 15 2HB LEU 2 HB2 LEU 2 19.021 -46.543 11.440 16 HG LEU 2 HG LEU 2 17.698 -43.850 11.872 17 1HD1 LEU 2 HD13 LEU 2 18.140 -46.125 13.839 18 2HD1 LEU 2 HD11 LEU 2 17.543 -44.521 14.248 19 3HD1 LEU 2 HD12 LEU 2 16.582 -45.578 13.225 20 1HD2 LEU 2 HD22 LEU 2 20.273 -45.016 13.004 21 2HD2 LEU 2 HD23 LEU 2 20.173 -43.728 11.806 22 3HD2 LEU 2 HD21 LEU 2 19.577 -43.458 13.432 23 H GLN 3 HN GLN 3 21.066 -45.885 9.214 24 HA GLN 3 HA GLN 3 20.976 -47.589 7.009 25 1HB GLN 3 HB1 GLN 3 23.096 -47.285 9.147 26 2HB GLN 3 HB2 GLN 3 23.316 -48.208 7.673 27 1HG GLN 3 HG1 GLN 3 22.953 -46.149 6.315 28 2HG GLN 3 HG2 GLN 3 22.697 -45.219 7.780 29 1HE2 GLN 3 HE21 GLN 3 26.487 -46.186 6.782 30 2HE2 GLN 3 HE22 GLN 3 25.193 -46.970 5.930 31 H LYS 4 HN LYS 4 21.333 -48.500 10.402 32 HA LYS 4 HA LYS 4 21.279 -51.283 10.157 33 1HB LYS 4 HB1 LYS 4 20.388 -49.500 12.443 34 2HB LYS 4 HB2 LYS 4 20.548 -51.244 12.561 35 1HG LYS 4 HG1 LYS 4 22.950 -51.083 12.015 36 2HG LYS 4 HG2 LYS 4 22.819 -49.339 11.881 37 1HD LYS 4 HD1 LYS 4 22.124 -49.212 14.263 38 2HD LYS 4 HD2 LYS 4 22.278 -50.959 14.392 39 1HE LYS 4 HE1 LYS 4 24.682 -50.792 13.840 40 2HE LYS 4 HE2 LYS 4 24.529 -49.039 13.710 41 1HZ LYS 4 HZ3 LYS 4 23.743 -48.978 15.993 42 2HZ LYS 4 HZ1 LYS 4 23.891 -50.655 16.116 43 3HZ LYS 4 HZ2 LYS 4 25.275 -49.698 15.928 44 H LYS 5 HN LYS 5 18.573 -49.041 10.176 45 HA LYS 5 HA LYS 5 16.551 -51.069 10.432 46 1HB LYS 5 HB1 LYS 5 16.421 -48.124 9.847 47 2HB LYS 5 HB2 LYS 5 15.010 -49.136 9.933 48 1HG LYS 5 HG1 LYS 5 17.012 -48.933 12.220 49 2HG LYS 5 HG2 LYS 5 15.657 -47.843 12.067 50 1HD LYS 5 HD1 LYS 5 14.064 -49.576 12.433 51 2HD LYS 5 HD2 LYS 5 15.247 -50.847 12.235 52 1HE LYS 5 HE1 LYS 5 15.486 -48.819 14.461 53 2HE LYS 5 HE2 LYS 5 14.428 -50.217 14.609 54 1HZ LYS 5 HZ3 LYS 5 17.309 -50.371 13.907 55 2HZ LYS 5 HZ1 LYS 5 16.673 -50.685 15.444 56 3HZ LYS 5 HZ2 LYS 5 16.291 -51.726 14.146 57 H ILE 6 HN ILE 6 17.855 -49.312 7.551 58 HA ILE 6 HA ILE 6 16.386 -50.768 5.593 59 HB ILE 6 HB ILE 6 19.379 -50.531 5.212 60 1HG1 ILE 6 HG11 ILE 6 17.742 -48.237 4.280 61 2HG1 ILE 6 HG12 ILE 6 18.299 -48.247 5.951 62 1HG2 ILE 6 HG22 ILE 6 17.054 -50.421 3.220 63 2HG2 ILE 6 HG23 ILE 6 18.733 -50.271 2.789 64 3HG2 ILE 6 HG21 ILE 6 18.128 -51.765 3.459 65 1HD1 ILE 6 HD13 ILE 6 20.625 -48.640 5.159 66 2HD1 ILE 6 HD11 ILE 6 20.066 -48.531 3.499 67 3HD1 ILE 6 HD12 ILE 6 19.942 -47.132 4.564 68 H GLU 7 HN GLU 7 19.434 -51.611 7.184 69 HA GLU 7 HA GLU 7 19.798 -54.184 6.096 70 1HB GLU 7 HB1 GLU 7 20.791 -53.082 8.734 71 2HB GLU 7 HB2 GLU 7 21.341 -54.579 8.003 72 1HG GLU 7 HG1 GLU 7 22.257 -53.344 6.062 73 2HG GLU 7 HG2 GLU 7 21.642 -51.829 6.713 74 H GLU 8 HN GLU 8 18.137 -53.356 9.216 75 HA GLU 8 HA GLU 8 17.267 -55.944 9.789 76 1HB GLU 8 HB1 GLU 8 16.287 -53.203 10.405 77 2HB GLU 8 HB2 GLU 8 15.138 -54.480 10.662 78 1HG GLU 8 HG1 GLU 8 17.078 -55.612 12.066 79 2HG GLU 8 HG2 GLU 8 17.766 -53.991 12.074 80 H GLU 9 HN GLU 9 15.291 -53.589 7.834 81 HA GLU 9 HA GLU 9 13.256 -55.639 7.419 82 1HB GLU 9 HB1 GLU 9 13.524 -52.785 6.643 83 2HB GLU 9 HB2 GLU 9 12.398 -53.801 5.765 84 1HG GLU 9 HG1 GLU 9 11.265 -52.678 7.671 85 2HG GLU 9 HG2 GLU 9 11.236 -54.416 7.865 86 H ALA 10 HN ALA 10 15.604 -54.239 5.089 87 HA ALA 10 HA ALA 10 15.243 -56.497 3.306 88 1HB ALA 10 HB1 ALA 10 17.474 -54.464 3.521 89 2HB ALA 10 HB2 ALA 10 17.279 -55.632 2.208 90 3HB ALA 10 HB3 ALA 10 16.058 -54.386 2.462 91 H ALA 11 HN ALA 11 17.197 -56.689 6.358 92 HA ALA 11 HA ALA 11 17.974 -59.312 5.488 93 1HB ALA 11 HB3 ALA 11 17.605 -58.283 8.314 94 2HB ALA 11 HB1 ALA 11 18.350 -59.828 7.875 95 3HB ALA 11 HB2 ALA 11 19.100 -58.304 7.396 96 H LYS 12 HN LYS 12 15.089 -58.166 7.266 97 HA LYS 12 HA LYS 12 13.919 -60.741 7.610 98 1HB LYS 12 HB1 LYS 12 12.604 -58.024 7.650 99 2HB LYS 12 HB2 LYS 12 11.846 -59.513 8.154 100 1HG LYS 12 HG1 LYS 12 13.534 -59.725 9.995 101 2HG LYS 12 HG2 LYS 12 14.206 -58.176 9.499 102 1HD LYS 12 HD1 LYS 12 11.824 -57.219 9.807 103 2HD LYS 12 HD2 LYS 12 11.421 -58.735 10.581 104 1HE LYS 12 HE1 LYS 12 11.865 -57.217 12.340 105 2HE LYS 12 HE2 LYS 12 13.289 -58.251 12.249 106 1HZ LYS 12 HZ2 LYS 12 13.012 -55.552 10.903 107 2HZ LYS 12 HZ3 LYS 12 13.944 -55.838 12.331 108 3HZ LYS 12 HZ1 LYS 12 14.341 -56.604 10.859 109 OH TYR 13 OH TYR 13 16.852 -59.128 -1.256 110 H TYR 13 HN TYR 13 14.605 -61.014 5.196 111 HA TYR 13 HA TYR 13 12.904 -60.470 3.035 112 1HB TYR 13 HB1 TYR 13 15.112 -62.326 3.681 113 2HB TYR 13 HB2 TYR 13 14.005 -62.981 2.506 114 HD1 TYR 13 HD1 TYR 13 15.048 -62.854 0.474 115 HD2 TYR 13 HD2 TYR 13 15.248 -59.339 2.911 116 HE1 TYR 13 HE1 TYR 13 16.145 -61.641 -1.340 117 HE2 TYR 13 HE2 TYR 13 16.359 -58.182 1.096 118 HH TYR 13 HH TYR 13 17.055 -59.718 -1.984 119 H LYS 14 HN LYS 14 12.235 -62.685 5.600 120 HA LYS 14 HA LYS 14 10.033 -64.087 4.532 121 1HB LYS 14 HB1 LYS 14 10.449 -62.945 7.325 122 2HB LYS 14 HB2 LYS 14 9.205 -64.102 6.895 123 1HG LYS 14 HG1 LYS 14 10.912 -65.763 6.283 124 2HG LYS 14 HG2 LYS 14 12.195 -64.628 6.670 125 1HD LYS 14 HD1 LYS 14 11.351 -64.522 9.022 126 2HD LYS 14 HD2 LYS 14 10.150 -65.731 8.628 127 1HE LYS 14 HE1 LYS 14 13.145 -66.169 8.411 128 2HE LYS 14 HE2 LYS 14 12.184 -66.603 9.818 129 1HZ LYS 14 HZ2 LYS 14 10.804 -67.992 8.390 130 2HZ LYS 14 HZ3 LYS 14 11.764 -67.603 7.057 131 3HZ LYS 14 HZ1 LYS 14 12.421 -68.494 8.334 132 OH TYR 15 OH TYR 15 6.294 -60.981 11.016 133 H TYR 15 HN TYR 15 10.266 -60.724 5.673 134 HA TYR 15 HA TYR 15 7.450 -60.223 4.989 135 1HB TYR 15 HB1 TYR 15 9.542 -58.560 6.418 136 2HB TYR 15 HB2 TYR 15 7.961 -57.950 5.980 137 HD1 TYR 15 HD1 TYR 15 9.729 -59.386 8.624 138 HD2 TYR 15 HD2 TYR 15 5.952 -59.679 6.718 139 HE1 TYR 15 HE1 TYR 15 8.749 -60.309 10.693 140 HE2 TYR 15 HE2 TYR 15 4.979 -60.581 8.785 141 HH TYR 15 HH TYR 15 5.368 -61.192 10.890 142 H ALA 16 HN ALA 16 8.130 -60.870 2.941 143 HA ALA 16 HA ALA 16 9.953 -59.697 1.203 144 1HB ALA 16 HB3 ALA 16 7.358 -61.145 0.576 145 2HB ALA 16 HB1 ALA 16 8.663 -60.855 -0.571 146 3HB ALA 16 HB2 ALA 16 8.940 -61.876 0.834 147 H MET 17 HN MET 17 6.541 -58.870 1.554 148 HA MET 17 HA MET 17 6.417 -56.825 -0.421 149 1HB MET 17 HB1 MET 17 4.693 -57.347 2.020 150 2HB MET 17 HB2 MET 17 4.330 -56.146 0.798 151 1HG MET 17 HG1 MET 17 4.187 -57.914 -0.928 152 2HG MET 17 HG2 MET 17 4.569 -59.132 0.272 153 1HE MET 17 HE2 MET 17 1.984 -56.216 -0.541 154 2HE MET 17 HE3 MET 17 1.779 -57.570 -1.673 155 3HE MET 17 HE1 MET 17 0.526 -57.190 -0.504 156 H LEU 18 HN LEU 18 7.597 -56.735 2.888 157 HA LEU 18 HA LEU 18 7.352 -53.824 3.053 158 1HB LEU 18 HB1 LEU 18 8.375 -55.759 5.142 159 2HB LEU 18 HB2 LEU 18 8.005 -54.061 5.378 160 HG LEU 18 HG LEU 18 5.989 -56.229 4.693 161 1HD1 LEU 18 HD11 LEU 18 6.779 -56.381 7.009 162 2HD1 LEU 18 HD12 LEU 18 6.418 -54.681 7.255 163 3HD1 LEU 18 HD13 LEU 18 5.113 -55.824 6.961 164 1HD2 LEU 18 HD21 LEU 18 5.520 -53.299 5.289 165 2HD2 LEU 18 HD22 LEU 18 5.272 -54.072 3.730 166 3HD2 LEU 18 HD23 LEU 18 4.253 -54.512 5.097 167 H LYS 19 HN LYS 19 10.125 -56.199 3.142 168 HA LYS 19 HA LYS 19 11.960 -54.144 2.530 169 1HB LYS 19 HB1 LYS 19 13.488 -55.830 1.818 170 2HB LYS 19 HB2 LYS 19 12.610 -56.444 3.191 171 1HG LYS 19 HG1 LYS 19 12.522 -58.338 1.957 172 2HG LYS 19 HG2 LYS 19 11.130 -57.569 1.221 173 1HD LYS 19 HD1 LYS 19 12.576 -56.713 -0.615 174 2HD LYS 19 HD2 LYS 19 13.962 -57.472 0.134 175 1HE LYS 19 HE1 LYS 19 12.795 -59.691 -0.139 176 2HE LYS 19 HE2 LYS 19 11.528 -58.844 -1.037 177 1HZ LYS 19 HZ1 LYS 19 14.431 -58.780 -1.660 178 2HZ LYS 19 HZ2 LYS 19 13.281 -59.686 -2.522 179 3HZ LYS 19 HZ3 LYS 19 13.217 -57.990 -2.532 180 H LYS 20 HN LYS 20 9.809 -55.889 0.137 181 HA LYS 20 HA LYS 20 10.814 -54.454 -2.080 182 1HB LYS 20 HB1 LYS 20 9.416 -56.434 -2.321 183 2HB LYS 20 HB2 LYS 20 8.076 -55.643 -1.538 184 1HG LYS 20 HG1 LYS 20 7.601 -55.770 -3.867 185 2HG LYS 20 HG2 LYS 20 7.853 -54.095 -3.466 186 1HD LYS 20 HD1 LYS 20 10.400 -54.899 -4.317 187 2HD LYS 20 HD2 LYS 20 9.335 -55.870 -5.307 188 1HE LYS 20 HE1 LYS 20 9.610 -53.933 -6.583 189 2HE LYS 20 HE2 LYS 20 8.058 -53.673 -5.794 190 1HZ LYS 20 HZ1 LYS 20 9.407 -52.524 -3.941 191 2HZ LYS 20 HZ2 LYS 20 10.696 -52.581 -5.032 192 3HZ LYS 20 HZ3 LYS 20 9.318 -51.709 -5.445 193 H CYS 21 HN CYS 21 8.276 -53.409 0.325 194 HA CYS 21 HA CYS 21 7.818 -50.861 -0.697 195 1HB CYS 21 HB1 CYS 21 6.802 -52.155 1.278 196 2HB CYS 21 HB2 CYS 21 8.097 -51.475 2.240 197 H CYS 22 HN CYS 22 10.505 -51.722 1.603 198 HA CYS 22 HA CYS 22 12.254 -49.504 1.314 199 1HB CYS 22 HB1 CYS 22 12.589 -51.789 2.483 200 2HB CYS 22 HB2 CYS 22 13.449 -52.121 1.030 201 OH TYR 23 OH TYR 23 17.390 -55.228 -0.352 202 H TYR 23 HN TYR 23 12.109 -52.095 -0.997 203 HA TYR 23 HA TYR 23 13.816 -50.603 -2.704 204 1HB TYR 23 HB1 TYR 23 12.334 -53.138 -3.175 205 2HB TYR 23 HB2 TYR 23 13.646 -52.506 -4.153 206 HD1 TYR 23 HD1 TYR 23 13.961 -55.021 -3.229 207 HD2 TYR 23 HD2 TYR 23 14.651 -51.703 -0.567 208 HE1 TYR 23 HE1 TYR 23 15.902 -56.191 -2.193 209 HE2 TYR 23 HE2 TYR 23 16.580 -52.820 0.264 210 HH TYR 23 HH TYR 23 17.822 -54.656 0.283 211 H ASP 24 HN ASP 24 10.305 -50.734 -2.668 212 HA ASP 24 HA ASP 24 9.756 -49.047 -4.884 213 1HB ASP 24 HB1 ASP 24 8.091 -50.234 -3.303 214 2HB ASP 24 HB2 ASP 24 8.299 -48.854 -2.235 215 H GLY 25 HN GLY 25 10.665 -48.071 -1.545 216 1HA GLY 25 HA1 GLY 25 11.045 -45.311 -2.151 217 2HA GLY 25 HA2 GLY 25 11.795 -46.167 -0.828 218 H ALA 26 HN ALA 26 13.410 -47.966 -2.284 219 HA ALA 26 HA ALA 26 15.667 -46.411 -2.955 220 1HB ALA 26 HB2 ALA 26 15.891 -48.724 -2.178 221 2HB ALA 26 HB3 ALA 26 15.175 -49.308 -3.680 222 3HB ALA 26 HB1 ALA 26 16.729 -48.491 -3.704 223 OH TYR 27 OH TYR 27 16.150 -52.779 -8.789 224 H TYR 27 HN TYR 27 13.424 -48.013 -5.320 225 HA TYR 27 HA TYR 27 14.910 -47.030 -7.561 226 1HB TYR 27 HB1 TYR 27 12.215 -48.334 -7.267 227 2HB TYR 27 HB2 TYR 27 12.724 -47.695 -8.813 228 HD1 TYR 27 HD1 TYR 27 13.362 -50.299 -6.293 229 HD2 TYR 27 HD2 TYR 27 14.659 -48.710 -10.009 230 HE1 TYR 27 HE1 TYR 27 14.708 -52.338 -6.714 231 HE2 TYR 27 HE2 TYR 27 15.990 -50.730 -10.413 232 HH TYR 27 HH TYR 27 16.607 -52.718 -9.628 233 NH1 ARG 28 NH1 ARG 28 10.433 -38.752 -7.248 234 NH2 ARG 28 NH2 ARG 28 9.990 -40.133 -8.901 235 H ARG 28 HN ARG 28 14.857 -44.788 -6.321 236 HA ARG 28 HA ARG 28 13.139 -43.013 -7.891 237 1HB ARG 28 HB1 ARG 28 13.195 -43.185 -4.881 238 2HB ARG 28 HB2 ARG 28 12.917 -41.621 -5.599 239 1HG ARG 28 HG1 ARG 28 11.205 -44.082 -6.009 240 2HG ARG 28 HG2 ARG 28 10.844 -42.721 -4.967 241 1HD ARG 28 HD1 ARG 28 11.035 -42.582 -7.994 242 2HD ARG 28 HD2 ARG 28 9.548 -42.655 -7.063 243 HE ARG 28 HE ARG 28 10.889 -40.496 -5.943 244 1HH1 ARG 28 HH12 ARG 28 10.695 -38.702 -6.277 245 2HH1 ARG 28 HH11 ARG 28 10.275 -37.943 -7.801 246 1HH2 ARG 28 HH22 ARG 28 9.925 -41.067 -9.216 247 2HH2 ARG 28 HH21 ARG 28 9.799 -39.353 -9.476 248 H ASN 29 HN ASN 29 13.698 -40.723 -7.662 249 HA ASN 29 HA ASN 29 16.422 -40.067 -6.841 250 1HB ASN 29 HB1 ASN 29 16.642 -40.967 -9.157 251 2HB ASN 29 HB2 ASN 29 15.606 -39.691 -9.762 252 1HD2 ASN 29 HD21 ASN 29 18.331 -37.439 -9.852 253 2HD2 ASN 29 HD22 ASN 29 16.661 -37.678 -10.288 254 H ASP 30 HN ASP 30 14.122 -38.344 -8.996 255 HA ASP 30 HA ASP 30 14.646 -35.850 -7.697 256 1HB ASP 30 HB1 ASP 30 12.816 -36.597 -10.001 257 2HB ASP 30 HB2 ASP 30 13.101 -34.949 -9.461 258 H ASP 31 HN ASP 31 13.843 -36.888 -5.678 259 HA ASP 31 HA ASP 31 10.991 -36.480 -5.101 260 1HB ASP 31 HB1 ASP 31 13.255 -37.129 -3.165 261 2HB ASP 31 HB2 ASP 31 11.535 -37.247 -2.829 262 H GLU 32 HN GLU 32 10.252 -34.397 -4.847 263 HA GLU 32 HA GLU 32 11.699 -32.249 -3.671 264 1HB GLU 32 HB1 GLU 32 9.639 -31.995 -5.054 265 2HB GLU 32 HB2 GLU 32 8.695 -32.660 -3.730 266 1HG GLU 32 HG1 GLU 32 9.438 -30.715 -2.283 267 2HG GLU 32 HG2 GLU 32 10.289 -30.053 -3.668 268 H THR 33 HN THR 33 9.084 -34.170 -1.997 269 HA THR 33 HA THR 33 11.124 -34.858 0.022 270 HB THR 33 HB THR 33 8.460 -33.589 0.722 271 HG1 THR 33 HG1 THR 33 10.768 -32.516 0.353 272 1HG2 THR 33 HG23 THR 33 10.536 -34.714 2.624 273 2HG2 THR 33 HG21 THR 33 9.104 -33.800 3.056 274 3HG2 THR 33 HG22 THR 33 8.929 -35.420 2.392 275 H CYS 34 HN CYS 34 10.998 -37.005 0.641 276 HA CYS 34 HA CYS 34 9.697 -38.929 -0.843 277 1HB CYS 34 HB1 CYS 34 10.812 -39.081 1.979 278 2HB CYS 34 HB2 CYS 34 10.322 -40.480 1.055 279 H GLU 35 HN GLU 35 8.596 -37.484 2.103 280 HA GLU 35 HA GLU 35 6.412 -39.191 2.725 281 1HB GLU 35 HB1 GLU 35 7.645 -37.596 4.269 282 2HB GLU 35 HB2 GLU 35 6.877 -36.258 3.450 283 1HG GLU 35 HG1 GLU 35 5.681 -36.541 5.497 284 2HG GLU 35 HG2 GLU 35 4.625 -37.174 4.254 285 H GLU 36 HN GLU 36 6.552 -36.811 0.126 286 HA GLU 36 HA GLU 36 3.685 -36.422 -0.048 287 1HB GLU 36 HB1 GLU 36 5.817 -36.290 -2.220 288 2HB GLU 36 HB2 GLU 36 4.162 -35.736 -2.395 289 1HG GLU 36 HG1 GLU 36 4.529 -33.889 -0.876 290 2HG GLU 36 HG2 GLU 36 6.074 -34.546 -0.346 291 NH1 ARG 37 NH1 ARG 37 6.923 -45.534 -5.970 292 NH2 ARG 37 NH2 ARG 37 8.641 -44.698 -4.893 293 H ARG 37 HN ARG 37 5.918 -38.379 -1.902 294 HA ARG 37 HA ARG 37 4.063 -40.086 -3.196 295 1HB ARG 37 HB1 ARG 37 6.489 -39.595 -3.847 296 2HB ARG 37 HB2 ARG 37 6.978 -40.678 -2.554 297 1HG ARG 37 HG1 ARG 37 5.592 -42.488 -3.671 298 2HG ARG 37 HG2 ARG 37 5.301 -41.380 -4.991 299 1HD ARG 37 HD1 ARG 37 7.660 -41.368 -5.573 300 2HD ARG 37 HD2 ARG 37 8.046 -42.284 -4.118 301 HE ARG 37 HE ARG 37 6.220 -43.354 -6.240 302 1HH1 ARG 37 HH12 ARG 37 6.072 -45.408 -6.452 303 2HH1 ARG 37 HH11 ARG 37 7.319 -46.459 -5.850 304 1HH2 ARG 37 HH22 ARG 37 9.083 -43.894 -4.541 305 2HH2 ARG 37 HH21 ARG 37 9.090 -45.604 -4.806 306 H ALA 38 HN ALA 38 6.028 -40.604 -0.188 307 HA ALA 38 HA ALA 38 4.337 -42.878 0.451 308 1HB ALA 38 HB1 ALA 38 6.839 -41.881 1.682 309 2HB ALA 38 HB2 ALA 38 5.896 -43.266 2.264 310 3HB ALA 38 HB3 ALA 38 6.509 -43.287 0.609 311 H ALA 39 HN ALA 39 3.590 -39.553 1.139 312 HA ALA 39 HA ALA 39 1.670 -40.438 3.029 313 1HB ALA 39 HB1 ALA 39 1.952 -38.068 2.493 314 2HB ALA 39 HB2 ALA 39 1.387 -38.349 0.851 315 3HB ALA 39 HB3 ALA 39 0.284 -38.572 2.214 316 NH1 ARG 40 NH1 ARG 40 -0.711 -37.445 -6.150 317 NH2 ARG 40 NH2 ARG 40 0.156 -39.238 -7.049 318 H ARG 40 HN ARG 40 1.692 -40.579 -0.542 319 HA ARG 40 HA ARG 40 -0.738 -42.091 -0.731 320 1HB ARG 40 HB1 ARG 40 1.611 -42.060 -2.630 321 2HB ARG 40 HB2 ARG 40 0.049 -42.789 -2.982 322 1HG ARG 40 HG1 ARG 40 -1.036 -40.556 -2.722 323 2HG ARG 40 HG2 ARG 40 0.538 -39.839 -2.409 324 1HD ARG 40 HD1 ARG 40 1.304 -40.553 -4.651 325 2HD ARG 40 HD2 ARG 40 -0.302 -41.229 -4.966 326 HE ARG 40 HE ARG 40 -0.593 -38.542 -4.113 327 1HH1 ARG 40 HH12 ARG 40 -1.033 -36.959 -5.352 328 2HH1 ARG 40 HH11 ARG 40 -0.732 -37.046 -7.054 329 1HH2 ARG 40 HH22 ARG 40 0.508 -40.153 -6.931 330 2HH2 ARG 40 HH21 ARG 40 0.114 -38.794 -7.931 331 H ILE 41 HN ILE 41 2.598 -43.486 -0.810 332 HA ILE 41 HA ILE 41 1.645 -46.064 -0.159 333 HB ILE 41 HB ILE 41 4.598 -45.351 0.049 334 1HG1 ILE 41 HG11 ILE 41 4.228 -46.873 -2.216 335 2HG1 ILE 41 HG12 ILE 41 2.778 -45.850 -2.265 336 1HG2 ILE 41 HG22 ILE 41 3.145 -47.900 -0.127 337 2HG2 ILE 41 HG23 ILE 41 4.924 -47.526 -0.284 338 3HG2 ILE 41 HG21 ILE 41 4.028 -47.286 1.271 339 1HD1 ILE 41 HD11 ILE 41 5.472 -44.797 -1.632 340 2HD1 ILE 41 HD12 ILE 41 4.899 -44.894 -3.328 341 3HD1 ILE 41 HD13 ILE 41 4.093 -43.864 -2.128 342 H LYS 42 HN LYS 42 0.497 -45.757 1.305 343 HA LYS 42 HA LYS 42 1.404 -45.660 4.143 344 1HB LYS 42 HB1 LYS 42 -0.523 -43.942 2.920 345 2HB LYS 42 HB2 LYS 42 -1.419 -44.997 3.983 346 1HG LYS 42 HG1 LYS 42 -0.799 -42.868 5.070 347 2HG LYS 42 HG2 LYS 42 -0.122 -44.248 5.915 348 1HD LYS 42 HD1 LYS 42 2.062 -43.791 5.177 349 2HD LYS 42 HD2 LYS 42 1.515 -42.818 3.835 350 1HE LYS 42 HE1 LYS 42 0.957 -40.980 5.344 351 2HE LYS 42 HE2 LYS 42 1.404 -41.968 6.742 352 1HZ LYS 42 HZ2 LYS 42 3.284 -41.649 4.420 353 2HZ LYS 42 HZ3 LYS 42 3.345 -40.471 5.643 354 3HZ LYS 42 HZ1 LYS 42 3.606 -42.103 6.019 355 H ILE 43 HN ILE 43 1.397 -48.008 2.688 356 HA ILE 43 HA ILE 43 -0.914 -49.627 3.201 357 HB ILE 43 HB ILE 43 1.905 -50.418 2.398 358 1HG1 ILE 43 HG11 ILE 43 -0.574 -50.268 0.658 359 2HG1 ILE 43 HG12 ILE 43 0.527 -48.923 0.814 360 1HG2 ILE 43 HG21 ILE 43 -0.633 -52.101 2.340 361 2HG2 ILE 43 HG22 ILE 43 0.920 -52.590 1.675 362 3HG2 ILE 43 HG23 ILE 43 0.745 -52.371 3.398 363 1HD1 ILE 43 HD11 ILE 43 2.372 -50.322 -0.106 364 2HD1 ILE 43 HD12 ILE 43 1.244 -51.654 -0.324 365 3HD1 ILE 43 HD13 ILE 43 1.023 -50.165 -1.226 366 H GLY 44 HN GLY 44 2.164 -49.249 4.931 367 1HA GLY 44 HA1 GLY 44 0.863 -50.027 7.389 368 2HA GLY 44 HA2 GLY 44 2.067 -51.184 6.874 369 HA PRO 45 HA PRO 45 4.009 -47.385 9.369 370 1HB PRO 45 HB1 PRO 45 4.155 -49.632 11.410 371 2HB PRO 45 HB2 PRO 45 4.111 -47.878 11.667 372 1HG PRO 45 HG1 PRO 45 1.860 -49.214 11.943 373 2HG PRO 45 HG2 PRO 45 1.824 -47.732 10.964 374 1HD PRO 45 HD1 PRO 45 1.993 -50.615 10.027 375 2HD PRO 45 HD2 PRO 45 0.942 -49.302 9.452 376 H LYS 46 HN LYS 46 4.979 -50.801 9.574 377 HA LYS 46 HA LYS 46 7.775 -50.458 9.386 378 1HB LYS 46 HB1 LYS 46 6.008 -52.801 8.645 379 2HB LYS 46 HB2 LYS 46 7.759 -52.863 8.609 380 1HG LYS 46 HG1 LYS 46 7.822 -52.372 11.047 381 2HG LYS 46 HG2 LYS 46 6.062 -52.382 11.083 382 1HD LYS 46 HD1 LYS 46 6.052 -54.721 10.271 383 2HD LYS 46 HD2 LYS 46 7.808 -54.712 10.203 384 1HE LYS 46 HE1 LYS 46 7.896 -54.349 12.649 385 2HE LYS 46 HE2 LYS 46 6.133 -54.390 12.710 386 1HZ LYS 46 HZ1 LYS 46 6.192 -56.602 11.729 387 2HZ LYS 46 HZ2 LYS 46 7.877 -56.560 11.675 388 3HZ LYS 46 HZ3 LYS 46 7.082 -56.584 13.167 389 H CYS 47 HN CYS 47 5.347 -50.625 6.858 390 HA CYS 47 HA CYS 47 7.078 -50.904 4.592 391 1HB CYS 47 HB1 CYS 47 4.540 -51.320 4.750 392 2HB CYS 47 HB2 CYS 47 4.347 -49.600 4.679 393 H VAL 48 HN VAL 48 5.239 -47.870 5.604 394 HA VAL 48 HA VAL 48 6.712 -46.146 4.326 395 HB VAL 48 HB VAL 48 6.212 -45.030 7.038 396 1HG1 VAL 48 HG13 VAL 48 6.472 -43.756 4.821 397 2HG1 VAL 48 HG11 VAL 48 5.044 -44.661 4.275 398 3HG1 VAL 48 HG12 VAL 48 4.896 -43.450 5.558 399 1HG2 VAL 48 HG21 VAL 48 4.560 -46.629 7.228 400 2HG2 VAL 48 HG22 VAL 48 3.861 -45.015 7.052 401 3HG2 VAL 48 HG23 VAL 48 3.817 -46.153 5.700 402 H LYS 49 HN LYS 49 7.650 -47.314 7.555 403 HA LYS 49 HA LYS 49 10.042 -45.841 7.845 404 1HB LYS 49 HB1 LYS 49 8.822 -47.258 9.570 405 2HB LYS 49 HB2 LYS 49 9.634 -48.641 8.874 406 1HG LYS 49 HG1 LYS 49 11.856 -47.381 9.338 407 2HG LYS 49 HG2 LYS 49 10.893 -46.215 10.208 408 1HD LYS 49 HD1 LYS 49 11.872 -47.755 11.784 409 2HD LYS 49 HD2 LYS 49 10.137 -47.958 11.775 410 1HE LYS 49 HE1 LYS 49 11.317 -50.107 11.934 411 2HE LYS 49 HE2 LYS 49 10.336 -50.030 10.483 412 1HZ LYS 49 HZ3 LYS 49 13.236 -49.439 10.631 413 2HZ LYS 49 HZ1 LYS 49 12.616 -50.906 9.975 414 3HZ LYS 49 HZ2 LYS 49 12.330 -49.384 9.232 415 H ALA 50 HN ALA 50 9.899 -49.254 6.580 416 HA ALA 50 HA ALA 50 12.518 -49.588 5.558 417 1HB ALA 50 HB2 ALA 50 10.781 -51.318 5.696 418 2HB ALA 50 HB3 ALA 50 9.885 -50.543 4.407 419 3HB ALA 50 HB1 ALA 50 11.460 -51.258 4.086 420 H PHE 51 HN PHE 51 9.658 -48.199 3.890 421 HA PHE 51 HA PHE 51 10.748 -47.395 1.460 422 1HB PHE 51 HB1 PHE 51 8.312 -47.381 2.344 423 2HB PHE 51 HB2 PHE 51 8.672 -45.822 3.034 424 HD1 PHE 51 HD1 PHE 51 7.365 -47.437 0.171 425 HD2 PHE 51 HD2 PHE 51 9.472 -43.924 1.309 426 HE1 PHE 51 HE1 PHE 51 6.955 -46.549 -1.943 427 HE2 PHE 51 HE2 PHE 51 9.133 -43.017 -0.928 428 HZ PHE 51 HZ PHE 51 7.898 -44.332 -2.601 429 H LYS 52 HN LYS 52 10.371 -45.225 4.348 430 HA LYS 52 HA LYS 52 11.823 -43.116 3.136 431 1HB LYS 52 HB1 LYS 52 11.017 -43.538 6.003 432 2HB LYS 52 HB2 LYS 52 11.833 -42.090 5.422 433 1HG LYS 52 HG1 LYS 52 9.962 -41.781 3.750 434 2HG LYS 52 HG2 LYS 52 9.158 -43.169 4.456 435 1HD LYS 52 HD1 LYS 52 8.085 -41.332 5.428 436 2HD LYS 52 HD2 LYS 52 9.182 -41.899 6.670 437 1HE LYS 52 HE1 LYS 52 10.775 -40.099 6.116 438 2HE LYS 52 HE2 LYS 52 9.725 -39.571 4.799 439 1HZ LYS 52 HZ1 LYS 52 7.883 -39.249 6.435 440 2HZ LYS 52 HZ2 LYS 52 8.960 -39.739 7.661 441 3HZ LYS 52 HZ3 LYS 52 9.268 -38.301 6.828 442 H ASP 53 HN ASP 53 13.033 -45.774 5.191 443 HA ASP 53 HA ASP 53 15.674 -44.749 5.472 444 1HB ASP 53 HB1 ASP 53 14.602 -47.584 5.473 445 2HB ASP 53 HB2 ASP 53 16.283 -47.198 5.772 446 H CYS 54 HN CYS 54 14.496 -47.087 3.027 447 HA CYS 54 HA CYS 54 16.732 -46.856 1.317 448 1HB CYS 54 HB1 CYS 54 13.925 -47.804 1.022 449 2HB CYS 54 HB2 CYS 54 14.924 -47.661 -0.387 450 H CYS 55 HN CYS 55 13.722 -44.840 1.226 451 HA CYS 55 HA CYS 55 14.421 -43.323 -1.048 452 1HB CYS 55 HB1 CYS 55 12.187 -43.436 0.179 453 2HB CYS 55 HB2 CYS 55 12.843 -42.266 1.300 454 OH TYR 56 OH TYR 56 22.143 -41.739 6.319 455 H TYR 56 HN TYR 56 15.214 -42.667 2.394 456 HA TYR 56 HA TYR 56 16.940 -40.508 2.060 457 1HB TYR 56 HB1 TYR 56 16.444 -41.032 4.235 458 2HB TYR 56 HB2 TYR 56 16.609 -42.748 3.993 459 HD1 TYR 56 HD1 TYR 56 18.710 -39.634 4.298 460 HD2 TYR 56 HD2 TYR 56 18.545 -43.861 4.708 461 HE1 TYR 56 HE1 TYR 56 20.895 -39.616 5.420 462 HE2 TYR 56 HE2 TYR 56 20.724 -43.820 5.869 463 HH TYR 56 HH TYR 56 22.495 -40.848 6.363 464 H ILE 57 HN ILE 57 17.980 -43.994 1.839 465 HA ILE 57 HA ILE 57 20.503 -43.452 0.733 466 HB ILE 57 HB ILE 57 18.682 -45.790 0.168 467 1HG1 ILE 57 HG11 ILE 57 19.094 -45.825 2.448 468 2HG1 ILE 57 HG12 ILE 57 20.183 -47.010 1.768 469 1HG2 ILE 57 HG23 ILE 57 21.650 -45.689 -0.436 470 2HG2 ILE 57 HG21 ILE 57 20.663 -47.146 -0.451 471 3HG2 ILE 57 HG22 ILE 57 20.348 -45.866 -1.603 472 1HD1 ILE 57 HD11 ILE 57 22.048 -45.332 1.922 473 2HD1 ILE 57 HD12 ILE 57 20.904 -44.220 2.679 474 3HD1 ILE 57 HD13 ILE 57 21.346 -45.710 3.497 475 H ALA 58 HN ALA 58 17.611 -43.955 -1.152 476 HA ALA 58 HA ALA 58 18.593 -43.463 -3.743 477 1HB ALA 58 HB3 ALA 58 16.291 -44.170 -3.335 478 2HB ALA 58 HB1 ALA 58 15.904 -42.593 -2.654 479 3HB ALA 58 HB2 ALA 58 16.329 -42.742 -4.357 480 H ASN 59 HN ASN 59 17.403 -40.960 -1.484 481 HA ASN 59 HA ASN 59 18.343 -38.799 -3.088 482 1HB ASN 59 HB1 ASN 59 17.286 -38.884 -0.279 483 2HB ASN 59 HB2 ASN 59 17.851 -37.396 -1.038 484 1HD2 ASN 59 HD21 ASN 59 14.607 -39.280 -2.704 485 2HD2 ASN 59 HD22 ASN 59 15.385 -39.974 -1.304 486 H GLN 60 HN GLN 60 20.084 -40.546 -0.472 487 HA GLN 60 HA GLN 60 22.390 -38.878 -0.652 488 1HB GLN 60 HB1 GLN 60 22.305 -41.835 -0.016 489 2HB GLN 60 HB2 GLN 60 23.675 -40.780 0.244 490 1HG GLN 60 HG1 GLN 60 21.003 -40.575 1.686 491 2HG GLN 60 HG2 GLN 60 22.470 -41.265 2.343 492 1HE2 GLN 60 HE21 GLN 60 22.145 -37.235 2.286 493 2HE2 GLN 60 HE22 GLN 60 21.030 -38.154 1.319 494 H VAL 61 HN VAL 61 21.556 -41.784 -2.596 495 HA VAL 61 HA VAL 61 23.825 -41.720 -4.291 496 HB VAL 61 HB VAL 61 21.033 -42.764 -4.816 497 1HG1 VAL 61 HG13 VAL 61 23.556 -43.371 -6.407 498 2HG1 VAL 61 HG11 VAL 61 22.009 -44.194 -6.588 499 3HG1 VAL 61 HG12 VAL 61 22.154 -42.498 -7.011 500 1HG2 VAL 61 HG23 VAL 61 23.590 -44.192 -3.989 501 2HG2 VAL 61 HG21 VAL 61 22.183 -43.906 -2.968 502 3HG2 VAL 61 HG22 VAL 61 22.058 -44.980 -4.353 503 NH1 ARG 62 NH1 ARG 62 15.620 -33.652 -5.873 504 NH2 ARG 62 NH2 ARG 62 15.505 -35.173 -4.324 505 H ARG 62 HN ARG 62 20.698 -40.071 -4.748 506 HA ARG 62 HA ARG 62 21.143 -38.567 -7.032 507 1HB ARG 62 HB1 ARG 62 19.099 -38.725 -5.673 508 2HB ARG 62 HB2 ARG 62 19.870 -37.798 -4.401 509 1HG ARG 62 HG1 ARG 62 19.896 -35.799 -5.960 510 2HG ARG 62 HG2 ARG 62 18.961 -36.769 -7.103 511 1HD ARG 62 HD1 ARG 62 17.249 -37.167 -5.356 512 2HD ARG 62 HD2 ARG 62 18.181 -36.186 -4.225 513 HE ARG 62 HE ARG 62 17.677 -34.605 -6.497 514 1HH1 ARG 62 HH12 ARG 62 16.072 -33.233 -6.646 515 2HH1 ARG 62 HH11 ARG 62 14.767 -33.318 -5.496 516 1HH2 ARG 62 HH22 ARG 62 15.859 -35.971 -3.817 517 2HH2 ARG 62 HH21 ARG 62 14.614 -34.767 -4.043 518 H ALA 63 HN ALA 63 22.237 -37.661 -3.732 519 HA ALA 63 HA ALA 63 23.723 -35.364 -4.638 520 1HB ALA 63 HB2 ALA 63 22.771 -35.462 -2.383 521 2HB ALA 63 HB3 ALA 63 23.765 -36.863 -1.993 522 3HB ALA 63 HB1 ALA 63 24.522 -35.299 -2.288 523 H GLU 64 HN GLU 64 24.741 -38.605 -3.528 524 HA GLU 64 HA GLU 64 26.525 -39.890 -3.853 525 1HB GLU 64 HB1 GLU 64 25.848 -39.595 -6.197 526 2HB GLU 64 HB2 GLU 64 27.020 -38.301 -6.365 527 1HG GLU 64 HG1 GLU 64 28.888 -39.864 -5.974 528 2HG GLU 64 HG2 GLU 64 27.770 -41.164 -5.590 529 H GLN 65 HN GLN 65 27.740 -36.576 -4.530 530 HA GLN 65 HA GLN 65 29.937 -37.142 -2.642 531 1HB GLN 65 HB1 GLN 65 31.683 -36.474 -4.044 532 2HB GLN 65 HB2 GLN 65 30.735 -37.608 -4.963 533 1HG GLN 65 HG1 GLN 65 30.832 -34.592 -5.403 534 2HG GLN 65 HG2 GLN 65 31.558 -35.825 -6.408 535 1HE2 GLN 65 HE21 GLN 65 27.599 -35.079 -6.811 536 2HE2 GLN 65 HE22 GLN 65 28.428 -34.471 -5.406 Start of MODEL 33 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 20.214 -47.248 15.847 2 2H MET 1 HT2 MET 1 20.900 -48.751 15.496 3 3H MET 1 HT1 MET 1 21.845 -47.535 16.207 4 HA MET 1 HA MET 1 21.626 -46.206 14.223 5 1HB MET 1 HB1 MET 1 22.652 -49.033 13.852 6 2HB MET 1 HB2 MET 1 22.953 -47.746 12.706 7 1HG MET 1 HG1 MET 1 24.134 -46.449 14.465 8 2HG MET 1 HG2 MET 1 23.883 -47.764 15.598 9 1HE MET 1 HE3 MET 1 24.749 -50.377 14.906 10 2HE MET 1 HE1 MET 1 26.497 -50.328 14.779 11 3HE MET 1 HE2 MET 1 25.711 -49.442 16.072 12 H LEU 2 HN LEU 2 20.847 -45.857 12.167 13 HA LEU 2 HA LEU 2 18.289 -46.817 11.472 14 1HB LEU 2 HB1 LEU 2 20.318 -45.249 9.843 15 2HB LEU 2 HB2 LEU 2 18.665 -45.526 9.349 16 HG LEU 2 HG LEU 2 19.351 -44.072 11.920 17 1HD1 LEU 2 HD11 LEU 2 18.760 -42.917 9.169 18 2HD1 LEU 2 HD12 LEU 2 18.925 -41.988 10.655 19 3HD1 LEU 2 HD13 LEU 2 20.311 -42.848 9.998 20 1HD2 LEU 2 HD22 LEU 2 16.819 -44.135 10.232 21 2HD2 LEU 2 HD23 LEU 2 17.023 -44.938 11.782 22 3HD2 LEU 2 HD21 LEU 2 17.055 -43.184 11.694 23 H GLN 3 HN GLN 3 21.422 -47.588 9.952 24 HA GLN 3 HA GLN 3 20.540 -49.154 7.818 25 1HB GLN 3 HB1 GLN 3 22.820 -48.228 8.155 26 2HB GLN 3 HB2 GLN 3 23.115 -49.421 9.404 27 1HG GLN 3 HG1 GLN 3 22.898 -51.247 7.730 28 2HG GLN 3 HG2 GLN 3 22.555 -50.071 6.474 29 1HE2 GLN 3 HE22 GLN 3 24.374 -48.669 5.776 30 2HE2 GLN 3 HE21 GLN 3 25.987 -49.172 6.178 31 H LYS 4 HN LYS 4 21.282 -50.205 11.098 32 HA LYS 4 HA LYS 4 20.793 -52.972 10.904 33 1HB LYS 4 HB1 LYS 4 21.874 -51.700 12.793 34 2HB LYS 4 HB2 LYS 4 20.291 -51.103 13.247 35 1HG LYS 4 HG1 LYS 4 19.572 -53.485 13.655 36 2HG LYS 4 HG2 LYS 4 21.194 -54.012 13.253 37 1HD LYS 4 HD1 LYS 4 21.186 -53.961 15.596 38 2HD LYS 4 HD2 LYS 4 21.994 -52.478 15.160 39 1HE LYS 4 HE1 LYS 4 20.554 -51.858 16.905 40 2HE LYS 4 HE2 LYS 4 19.710 -51.316 15.461 41 1HZ LYS 4 HZ3 LYS 4 19.228 -53.898 16.839 42 2HZ LYS 4 HZ1 LYS 4 18.232 -52.543 16.961 43 3HZ LYS 4 HZ2 LYS 4 18.332 -53.384 15.491 44 H LYS 5 HN LYS 5 18.515 -50.289 11.378 45 HA LYS 5 HA LYS 5 16.222 -51.974 11.838 46 1HB LYS 5 HB1 LYS 5 16.781 -49.670 12.783 47 2HB LYS 5 HB2 LYS 5 16.260 -49.023 11.245 48 1HG LYS 5 HG1 LYS 5 14.027 -49.487 11.644 49 2HG LYS 5 HG2 LYS 5 14.366 -50.863 12.670 50 1HD LYS 5 HD1 LYS 5 13.455 -49.083 14.031 51 2HD LYS 5 HD2 LYS 5 15.116 -49.354 14.474 52 1HE LYS 5 HE1 LYS 5 14.783 -47.019 14.546 53 2HE LYS 5 HE2 LYS 5 15.744 -47.312 13.109 54 1HZ LYS 5 HZ1 LYS 5 12.797 -46.994 13.150 55 2HZ LYS 5 HZ2 LYS 5 13.897 -45.803 12.661 56 3HZ LYS 5 HZ3 LYS 5 13.717 -47.213 11.742 57 H ILE 6 HN ILE 6 17.373 -50.132 8.940 58 HA ILE 6 HA ILE 6 15.446 -51.083 7.099 59 HB ILE 6 HB ILE 6 18.388 -50.590 6.616 60 1HG1 ILE 6 HG11 ILE 6 17.322 -48.856 4.981 61 2HG1 ILE 6 HG12 ILE 6 15.893 -49.084 5.938 62 1HG2 ILE 6 HG22 ILE 6 16.426 -51.421 4.395 63 2HG2 ILE 6 HG23 ILE 6 18.025 -50.761 4.145 64 3HG2 ILE 6 HG21 ILE 6 17.846 -52.312 4.921 65 1HD1 ILE 6 HD12 ILE 6 18.594 -48.152 6.970 66 2HD1 ILE 6 HD13 ILE 6 17.191 -47.130 6.696 67 3HD1 ILE 6 HD11 ILE 6 17.160 -48.338 7.969 68 H GLU 7 HN GLU 7 18.482 -52.661 8.089 69 HA GLU 7 HA GLU 7 17.944 -55.134 6.858 70 1HB GLU 7 HB1 GLU 7 19.662 -54.563 9.276 71 2HB GLU 7 HB2 GLU 7 19.602 -56.112 8.461 72 1HG GLU 7 HG1 GLU 7 20.562 -53.491 7.225 73 2HG GLU 7 HG2 GLU 7 21.579 -54.829 7.727 74 H GLU 8 HN GLU 8 17.054 -54.309 10.352 75 HA GLU 8 HA GLU 8 15.877 -56.854 10.610 76 1HB GLU 8 HB1 GLU 8 15.280 -54.244 12.078 77 2HB GLU 8 HB2 GLU 8 14.574 -55.774 12.565 78 1HG GLU 8 HG1 GLU 8 16.812 -56.726 13.011 79 2HG GLU 8 HG2 GLU 8 17.581 -55.263 12.410 80 H GLU 9 HN GLU 9 14.323 -54.055 9.032 81 HA GLU 9 HA GLU 9 11.922 -55.687 8.540 82 1HB GLU 9 HB1 GLU 9 12.807 -52.982 7.607 83 2HB GLU 9 HB2 GLU 9 11.447 -53.807 6.877 84 1HG GLU 9 HG1 GLU 9 10.351 -52.553 8.528 85 2HG GLU 9 HG2 GLU 9 10.564 -54.070 9.356 86 H ALA 10 HN ALA 10 14.564 -54.706 6.280 87 HA ALA 10 HA ALA 10 13.919 -56.695 4.284 88 1HB ALA 10 HB3 ALA 10 16.501 -55.257 4.849 89 2HB ALA 10 HB1 ALA 10 16.158 -56.223 3.417 90 3HB ALA 10 HB2 ALA 10 15.223 -54.768 3.732 91 H ALA 11 HN ALA 11 16.420 -57.272 6.874 92 HA ALA 11 HA ALA 11 17.567 -59.507 5.651 93 1HB ALA 11 HB1 ALA 11 17.354 -58.658 8.574 94 2HB ALA 11 HB2 ALA 11 18.457 -59.931 7.981 95 3HB ALA 11 HB3 ALA 11 18.638 -58.270 7.430 96 H LYS 12 HN LYS 12 14.680 -59.501 7.619 97 HA LYS 12 HA LYS 12 14.398 -62.288 8.086 98 1HB LYS 12 HB1 LYS 12 12.340 -60.083 7.709 99 2HB LYS 12 HB2 LYS 12 11.951 -61.711 8.239 100 1HG LYS 12 HG1 LYS 12 13.200 -61.437 10.295 101 2HG LYS 12 HG2 LYS 12 13.845 -59.891 9.758 102 1HD LYS 12 HD1 LYS 12 11.592 -58.918 9.750 103 2HD LYS 12 HD2 LYS 12 10.900 -60.464 10.202 104 1HE LYS 12 HE1 LYS 12 10.945 -58.983 12.122 105 2HE LYS 12 HE2 LYS 12 12.015 -60.351 12.386 106 1HZ LYS 12 HZ1 LYS 12 12.995 -57.732 11.255 107 2HZ LYS 12 HZ2 LYS 12 12.975 -58.099 12.937 108 3HZ LYS 12 HZ3 LYS 12 13.884 -59.041 11.869 109 OH TYR 13 OH TYR 13 16.783 -58.189 -0.437 110 H TYR 13 HN TYR 13 13.677 -60.330 5.265 111 HA TYR 13 HA TYR 13 12.842 -60.637 3.260 112 1HB TYR 13 HB1 TYR 13 15.034 -62.512 3.604 113 2HB TYR 13 HB2 TYR 13 14.005 -62.953 2.267 114 HD1 TYR 13 HD1 TYR 13 14.773 -59.363 3.365 115 HD2 TYR 13 HD2 TYR 13 15.418 -62.396 0.418 116 HE1 TYR 13 HE1 TYR 13 15.821 -57.760 1.941 117 HE2 TYR 13 HE2 TYR 13 16.483 -60.701 -1.022 118 HH TYR 13 HH TYR 13 16.738 -57.301 -0.013 119 H LYS 14 HN LYS 14 12.002 -63.471 5.052 120 HA LYS 14 HA LYS 14 9.901 -64.466 3.419 121 1HB LYS 14 HB1 LYS 14 10.162 -64.421 6.448 122 2HB LYS 14 HB2 LYS 14 8.977 -65.369 5.566 123 1HG LYS 14 HG1 LYS 14 10.779 -66.649 4.471 124 2HG LYS 14 HG2 LYS 14 11.990 -65.682 5.301 125 1HD LYS 14 HD1 LYS 14 11.127 -66.483 7.485 126 2HD LYS 14 HD2 LYS 14 9.941 -67.475 6.645 127 1HE LYS 14 HE1 LYS 14 11.757 -68.739 5.553 128 2HE LYS 14 HE2 LYS 14 12.954 -67.732 6.370 129 1HZ LYS 14 HZ2 LYS 14 10.892 -69.394 7.711 130 2HZ LYS 14 HZ3 LYS 14 12.537 -69.785 7.604 131 3HZ LYS 14 HZ1 LYS 14 12.041 -68.430 8.490 132 OH TYR 15 OH TYR 15 6.165 -62.550 11.038 133 H TYR 15 HN TYR 15 9.861 -61.804 5.753 134 HA TYR 15 HA TYR 15 7.122 -61.066 5.252 135 1HB TYR 15 HB1 TYR 15 9.424 -59.722 6.681 136 2HB TYR 15 HB2 TYR 15 7.890 -58.916 6.452 137 HD1 TYR 15 HD1 TYR 15 5.764 -60.147 7.271 138 HD2 TYR 15 HD2 TYR 15 9.644 -61.382 8.433 139 HE1 TYR 15 HE1 TYR 15 4.821 -61.259 9.274 140 HE2 TYR 15 HE2 TYR 15 8.705 -62.508 10.405 141 HH TYR 15 HH TYR 15 6.850 -62.992 11.542 142 H ALA 16 HN ALA 16 7.446 -61.347 3.046 143 HA ALA 16 HA ALA 16 9.172 -59.999 1.340 144 1HB ALA 16 HB3 ALA 16 8.114 -62.103 0.779 145 2HB ALA 16 HB1 ALA 16 6.525 -61.346 0.727 146 3HB ALA 16 HB2 ALA 16 7.745 -60.920 -0.470 147 H MET 17 HN MET 17 5.736 -59.204 1.807 148 HA MET 17 HA MET 17 5.631 -56.999 0.035 149 1HB MET 17 HB1 MET 17 3.875 -57.651 2.422 150 2HB MET 17 HB2 MET 17 3.542 -56.388 1.264 151 1HG MET 17 HG1 MET 17 2.173 -58.115 0.528 152 2HG MET 17 HG2 MET 17 3.552 -58.235 -0.534 153 1HE MET 17 HE1 MET 17 2.108 -59.664 2.886 154 2HE MET 17 HE2 MET 17 1.095 -60.188 1.524 155 3HE MET 17 HE3 MET 17 2.047 -61.355 2.425 156 H LEU 18 HN LEU 18 6.716 -57.224 3.313 157 HA LEU 18 HA LEU 18 6.437 -54.378 3.904 158 1HB LEU 18 HB1 LEU 18 7.622 -56.564 5.647 159 2HB LEU 18 HB2 LEU 18 7.053 -54.985 6.156 160 HG LEU 18 HG LEU 18 5.307 -57.235 5.084 161 1HD1 LEU 18 HD13 LEU 18 6.106 -57.678 7.349 162 2HD1 LEU 18 HD11 LEU 18 5.506 -56.108 7.864 163 3HD1 LEU 18 HD12 LEU 18 4.376 -57.348 7.338 164 1HD2 LEU 18 HD21 LEU 18 4.513 -54.500 6.104 165 2HD2 LEU 18 HD22 LEU 18 4.349 -55.091 4.461 166 3HD2 LEU 18 HD23 LEU 18 3.383 -55.813 5.743 167 H LYS 19 HN LYS 19 9.242 -56.662 3.914 168 HA LYS 19 HA LYS 19 11.213 -54.847 3.364 169 1HB LYS 19 HB1 LYS 19 11.586 -57.244 3.647 170 2HB LYS 19 HB2 LYS 19 10.532 -57.655 2.327 171 1HG LYS 19 HG1 LYS 19 13.102 -56.221 1.750 172 2HG LYS 19 HG2 LYS 19 13.146 -57.903 2.179 173 1HD LYS 19 HD1 LYS 19 11.838 -56.692 -0.269 174 2HD LYS 19 HD2 LYS 19 13.298 -57.630 -0.217 175 1HE LYS 19 HE1 LYS 19 10.510 -58.668 0.233 176 2HE LYS 19 HE2 LYS 19 11.511 -58.910 -1.186 177 1HZ LYS 19 HZ1 LYS 19 13.154 -60.044 0.187 178 2HZ LYS 19 HZ2 LYS 19 12.195 -59.789 1.542 179 3HZ LYS 19 HZ3 LYS 19 11.654 -60.833 0.355 180 H LYS 20 HN LYS 20 8.997 -56.138 0.729 181 HA LYS 20 HA LYS 20 10.053 -54.475 -1.280 182 1HB LYS 20 HB1 LYS 20 8.587 -56.297 -1.823 183 2HB LYS 20 HB2 LYS 20 7.307 -55.665 -0.833 184 1HG LYS 20 HG1 LYS 20 6.514 -55.349 -2.959 185 2HG LYS 20 HG2 LYS 20 7.079 -53.765 -2.540 186 1HD LYS 20 HD1 LYS 20 8.568 -55.717 -4.306 187 2HD LYS 20 HD2 LYS 20 7.506 -54.471 -4.894 188 1HE LYS 20 HE1 LYS 20 10.206 -54.122 -3.605 189 2HE LYS 20 HE2 LYS 20 9.738 -53.763 -5.258 190 1HZ LYS 20 HZ1 LYS 20 8.093 -52.138 -4.273 191 2HZ LYS 20 HZ2 LYS 20 8.869 -52.367 -2.765 192 3HZ LYS 20 HZ3 LYS 20 9.715 -51.707 -4.089 193 H CYS 21 HN CYS 21 7.419 -53.526 1.190 194 HA CYS 21 HA CYS 21 7.313 -50.867 0.364 195 1HB CYS 21 HB1 CYS 21 7.016 -52.111 3.039 196 2HB CYS 21 HB2 CYS 21 7.011 -50.372 2.899 197 H CYS 22 HN CYS 22 9.851 -52.197 2.572 198 HA CYS 22 HA CYS 22 11.601 -49.939 2.662 199 1HB CYS 22 HB1 CYS 22 11.893 -52.344 3.636 200 2HB CYS 22 HB2 CYS 22 12.937 -52.452 2.274 201 OH TYR 23 OH TYR 23 16.581 -55.759 0.601 202 H TYR 23 HN TYR 23 11.547 -52.251 0.084 203 HA TYR 23 HA TYR 23 13.403 -50.628 -1.355 204 1HB TYR 23 HB1 TYR 23 11.814 -53.016 -2.173 205 2HB TYR 23 HB2 TYR 23 13.211 -52.365 -3.008 206 HD1 TYR 23 HD1 TYR 23 14.054 -52.033 0.693 207 HD2 TYR 23 HD2 TYR 23 13.296 -54.975 -2.349 208 HE1 TYR 23 HE1 TYR 23 15.871 -53.380 1.488 209 HE2 TYR 23 HE2 TYR 23 15.157 -56.354 -1.442 210 HH TYR 23 HH TYR 23 17.029 -55.274 1.302 211 H ASP 24 HN ASP 24 9.913 -50.763 -1.489 212 HA ASP 24 HA ASP 24 9.415 -48.859 -3.535 213 1HB ASP 24 HB1 ASP 24 7.842 -50.366 -1.898 214 2HB ASP 24 HB2 ASP 24 7.668 -48.817 -1.090 215 H GLY 25 HN GLY 25 10.194 -48.302 -0.092 216 1HA GLY 25 HA1 GLY 25 10.334 -45.439 -0.352 217 2HA GLY 25 HA2 GLY 25 10.951 -46.384 0.977 218 H ALA 26 HN ALA 26 12.831 -47.956 -0.588 219 HA ALA 26 HA ALA 26 15.061 -46.242 -0.812 220 1HB ALA 26 HB2 ALA 26 15.303 -48.647 -0.417 221 2HB ALA 26 HB3 ALA 26 14.699 -48.990 -2.038 222 3HB ALA 26 HB1 ALA 26 16.234 -48.157 -1.826 223 OH TYR 27 OH TYR 27 16.576 -51.554 -7.191 224 H TYR 27 HN TYR 27 13.095 -47.567 -3.563 225 HA TYR 27 HA TYR 27 14.632 -46.086 -5.490 226 1HB TYR 27 HB1 TYR 27 12.074 -47.680 -5.659 227 2HB TYR 27 HB2 TYR 27 12.704 -46.813 -7.043 228 HD1 TYR 27 HD1 TYR 27 14.924 -47.470 -8.022 229 HD2 TYR 27 HD2 TYR 27 13.214 -49.693 -4.834 230 HE1 TYR 27 HE1 TYR 27 16.478 -49.333 -8.476 231 HE2 TYR 27 HE2 TYR 27 14.765 -51.547 -5.300 232 HH TYR 27 HH TYR 27 16.427 -52.279 -6.583 233 NH1 ARG 28 NH1 ARG 28 6.411 -45.416 -4.377 234 NH2 ARG 28 NH2 ARG 28 6.873 -43.573 -5.418 235 H ARG 28 HN ARG 28 13.818 -44.133 -3.663 236 HA ARG 28 HA ARG 28 11.785 -42.575 -5.151 237 1HB ARG 28 HB1 ARG 28 12.240 -42.672 -2.160 238 2HB ARG 28 HB2 ARG 28 11.197 -41.503 -2.931 239 1HG ARG 28 HG1 ARG 28 10.806 -44.521 -3.033 240 2HG ARG 28 HG2 ARG 28 9.986 -43.448 -1.929 241 1HD ARG 28 HD1 ARG 28 8.798 -42.386 -3.710 242 2HD ARG 28 HD2 ARG 28 9.720 -43.255 -4.940 243 HE ARG 28 HE ARG 28 8.599 -45.244 -3.379 244 1HH1 ARG 28 HH12 ARG 28 6.606 -46.186 -3.742 245 2HH1 ARG 28 HH11 ARG 28 5.575 -45.416 -4.898 246 1HH2 ARG 28 HH22 ARG 28 7.477 -42.799 -5.649 247 2HH2 ARG 28 HH21 ARG 28 6.007 -43.679 -5.875 248 H ASN 29 HN ASN 29 13.792 -41.976 -6.335 249 HA ASN 29 HA ASN 29 15.414 -39.874 -5.178 250 1HB ASN 29 HB1 ASN 29 15.199 -40.848 -8.056 251 2HB ASN 29 HB2 ASN 29 16.422 -39.744 -7.448 252 1HD2 ASN 29 HD21 ASN 29 18.194 -42.387 -5.813 253 2HD2 ASN 29 HD22 ASN 29 17.982 -40.664 -5.800 254 H ASP 30 HN ASP 30 13.119 -39.796 -7.923 255 HA ASP 30 HA ASP 30 12.832 -36.982 -8.017 256 1HB ASP 30 HB1 ASP 30 10.906 -39.127 -9.023 257 2HB ASP 30 HB2 ASP 30 10.978 -37.455 -9.564 258 H ASP 31 HN ASP 31 11.066 -39.351 -6.170 259 HA ASP 31 HA ASP 31 8.870 -37.611 -5.440 260 1HB ASP 31 HB1 ASP 31 9.700 -40.409 -4.701 261 2HB ASP 31 HB2 ASP 31 8.406 -39.608 -3.844 262 H GLU 32 HN GLU 32 9.973 -35.879 -4.560 263 HA GLU 32 HA GLU 32 11.839 -35.828 -2.578 264 1HB GLU 32 HB1 GLU 32 11.083 -33.449 -2.090 265 2HB GLU 32 HB2 GLU 32 11.720 -33.879 -3.649 266 1HG GLU 32 HG1 GLU 32 9.882 -32.283 -3.876 267 2HG GLU 32 HG2 GLU 32 9.464 -33.789 -4.656 268 H THR 33 HN THR 33 8.315 -35.758 -1.735 269 HA THR 33 HA THR 33 9.173 -35.958 1.096 270 HB THR 33 HB THR 33 6.509 -34.892 0.104 271 HG1 THR 33 HG1 THR 33 8.096 -33.286 -0.225 272 1HG2 THR 33 HG22 THR 33 7.751 -34.837 2.868 273 2HG2 THR 33 HG23 THR 33 6.232 -34.100 2.392 274 3HG2 THR 33 HG21 THR 33 6.374 -35.857 2.422 275 H CYS 34 HN CYS 34 9.309 -38.138 1.378 276 HA CYS 34 HA CYS 34 7.908 -40.149 0.077 277 1HB CYS 34 HB1 CYS 34 9.214 -40.232 2.798 278 2HB CYS 34 HB2 CYS 34 8.704 -41.641 1.902 279 H GLU 35 HN GLU 35 7.097 -38.664 3.183 280 HA GLU 35 HA GLU 35 5.117 -40.563 3.932 281 1HB GLU 35 HB1 GLU 35 5.595 -37.744 4.935 282 2HB GLU 35 HB2 GLU 35 4.424 -38.854 5.627 283 1HG GLU 35 HG1 GLU 35 6.310 -40.497 6.057 284 2HG GLU 35 HG2 GLU 35 7.446 -39.285 5.497 285 H GLU 36 HN GLU 36 4.816 -37.873 1.741 286 HA GLU 36 HA GLU 36 1.946 -37.786 1.631 287 1HB GLU 36 HB1 GLU 36 3.520 -36.070 0.702 288 2HB GLU 36 HB2 GLU 36 4.061 -37.206 -0.501 289 1HG GLU 36 HG1 GLU 36 1.344 -37.210 -1.029 290 2HG GLU 36 HG2 GLU 36 1.523 -35.611 -0.342 291 NH1 ARG 37 NH1 ARG 37 6.424 -36.472 -4.783 292 NH2 ARG 37 NH2 ARG 37 6.312 -36.428 -2.621 293 H ARG 37 HN ARG 37 4.389 -39.541 -0.203 294 HA ARG 37 HA ARG 37 2.597 -41.090 -1.826 295 1HB ARG 37 HB1 ARG 37 5.540 -41.510 -1.224 296 2HB ARG 37 HB2 ARG 37 4.617 -42.495 -2.330 297 1HG ARG 37 HG1 ARG 37 5.748 -41.038 -3.753 298 2HG ARG 37 HG2 ARG 37 4.156 -40.316 -3.649 299 1HD ARG 37 HD1 ARG 37 4.976 -38.717 -1.978 300 2HD ARG 37 HD2 ARG 37 6.579 -39.431 -2.058 301 HE ARG 37 HE ARG 37 6.047 -38.740 -4.688 302 1HH1 ARG 37 HH12 ARG 37 6.374 -36.969 -5.641 303 2HH1 ARG 37 HH11 ARG 37 6.623 -35.497 -4.710 304 1HH2 ARG 37 HH22 ARG 37 6.206 -36.881 -1.735 305 2HH2 ARG 37 HH21 ARG 37 6.493 -35.441 -2.739 306 H ALA 38 HN ALA 38 4.493 -41.864 1.135 307 HA ALA 38 HA ALA 38 2.994 -44.306 1.455 308 1HB ALA 38 HB1 ALA 38 5.264 -43.177 3.003 309 2HB ALA 38 HB2 ALA 38 4.435 -44.699 3.374 310 3HB ALA 38 HB3 ALA 38 5.182 -44.486 1.793 311 H ALA 39 HN ALA 39 2.069 -41.092 2.604 312 HA ALA 39 HA ALA 39 -0.046 -42.253 4.082 313 1HB ALA 39 HB2 ALA 39 0.339 -39.834 4.016 314 2HB ALA 39 HB3 ALA 39 -0.065 -39.793 2.304 315 3HB ALA 39 HB1 ALA 39 -1.304 -40.204 3.493 316 NH1 ARG 40 NH1 ARG 40 -0.485 -37.585 -3.761 317 NH2 ARG 40 NH2 ARG 40 1.058 -39.037 -3.396 318 H ARG 40 HN ARG 40 0.309 -41.896 0.515 319 HA ARG 40 HA ARG 40 -2.106 -43.372 -0.023 320 1HB ARG 40 HB1 ARG 40 0.302 -43.092 -1.819 321 2HB ARG 40 HB2 ARG 40 -1.296 -43.634 -2.307 322 1HG ARG 40 HG1 ARG 40 -2.204 -41.369 -1.671 323 2HG ARG 40 HG2 ARG 40 -0.569 -40.848 -1.308 324 1HD ARG 40 HD1 ARG 40 0.035 -41.467 -3.719 325 2HD ARG 40 HD2 ARG 40 -1.678 -41.684 -3.993 326 HE ARG 40 HE ARG 40 -2.026 -39.330 -3.625 327 1HH1 ARG 40 HH12 ARG 40 -1.424 -37.313 -3.907 328 2HH1 ARG 40 HH11 ARG 40 0.279 -36.939 -3.753 329 1HH2 ARG 40 HH22 ARG 40 1.347 -39.964 -3.228 330 2HH2 ARG 40 HH21 ARG 40 1.681 -38.247 -3.430 331 H ILE 41 HN ILE 41 1.289 -44.662 -0.070 332 HA ILE 41 HA ILE 41 0.521 -47.339 0.041 333 HB ILE 41 HB ILE 41 3.273 -46.337 0.872 334 1HG1 ILE 41 HG11 ILE 41 3.435 -47.760 -1.509 335 2HG1 ILE 41 HG12 ILE 41 1.928 -46.846 -1.724 336 1HG2 ILE 41 HG23 ILE 41 2.284 -49.044 0.353 337 2HG2 ILE 41 HG21 ILE 41 3.993 -48.410 0.466 338 3HG2 ILE 41 HG22 ILE 41 2.888 -48.404 1.889 339 1HD1 ILE 41 HD13 ILE 41 4.409 -45.631 -0.665 340 2HD1 ILE 41 HD11 ILE 41 4.091 -45.692 -2.429 341 3HD1 ILE 41 HD12 ILE 41 3.028 -44.796 -1.329 342 H LYS 42 HN LYS 42 -0.880 -47.516 1.197 343 HA LYS 42 HA LYS 42 -1.032 -47.227 4.145 344 1HB LYS 42 HB1 LYS 42 -3.136 -47.587 2.021 345 2HB LYS 42 HB2 LYS 42 -3.516 -47.928 3.698 346 1HG LYS 42 HG1 LYS 42 -2.851 -45.609 4.310 347 2HG LYS 42 HG2 LYS 42 -2.526 -45.271 2.617 348 1HD LYS 42 HD1 LYS 42 -4.879 -45.724 2.049 349 2HD LYS 42 HD2 LYS 42 -5.216 -46.169 3.707 350 1HE LYS 42 HE1 LYS 42 -6.068 -43.969 3.393 351 2HE LYS 42 HE2 LYS 42 -4.637 -43.834 4.407 352 1HZ LYS 42 HZ3 LYS 42 -4.620 -43.483 1.467 353 2HZ LYS 42 HZ1 LYS 42 -4.693 -42.197 2.568 354 3HZ LYS 42 HZ2 LYS 42 -3.290 -43.167 2.499 355 H ILE 43 HN ILE 43 0.258 -49.669 2.626 356 HA ILE 43 HA ILE 43 -1.476 -51.894 2.912 357 HB ILE 43 HB ILE 43 1.512 -51.814 2.536 358 1HG1 ILE 43 HG11 ILE 43 0.520 -50.647 0.702 359 2HG1 ILE 43 HG12 ILE 43 1.135 -52.178 0.152 360 1HG2 ILE 43 HG21 ILE 43 -0.331 -54.164 2.048 361 2HG2 ILE 43 HG22 ILE 43 1.353 -54.069 1.535 362 3HG2 ILE 43 HG23 ILE 43 0.954 -54.059 3.242 363 1HD1 ILE 43 HD13 ILE 43 -1.185 -53.085 0.060 364 2HD1 ILE 43 HD11 ILE 43 -1.808 -51.534 0.613 365 3HD1 ILE 43 HD12 ILE 43 -0.996 -51.654 -0.939 366 H GLY 44 HN GLY 44 1.020 -50.724 5.168 367 1HA GLY 44 HA1 GLY 44 -0.460 -51.727 7.350 368 2HA GLY 44 HA2 GLY 44 0.874 -52.817 7.058 369 HA PRO 45 HA PRO 45 2.181 -49.042 9.914 370 1HB PRO 45 HB1 PRO 45 2.291 -51.425 11.797 371 2HB PRO 45 HB2 PRO 45 2.056 -49.706 12.166 372 1HG PRO 45 HG1 PRO 45 -0.080 -51.241 12.068 373 2HG PRO 45 HG2 PRO 45 -0.135 -49.694 11.196 374 1HD PRO 45 HD1 PRO 45 0.403 -52.470 10.091 375 2HD PRO 45 HD2 PRO 45 -0.686 -51.205 9.481 376 H LYS 46 HN LYS 46 3.412 -52.375 9.952 377 HA LYS 46 HA LYS 46 6.174 -51.698 10.151 378 1HB LYS 46 HB1 LYS 46 5.128 -53.833 10.888 379 2HB LYS 46 HB2 LYS 46 4.945 -54.291 9.207 380 1HG LYS 46 HG1 LYS 46 7.381 -54.308 8.908 381 2HG LYS 46 HG2 LYS 46 7.617 -53.690 10.534 382 1HD LYS 46 HD1 LYS 46 6.773 -55.721 11.523 383 2HD LYS 46 HD2 LYS 46 6.247 -56.343 9.971 384 1HE LYS 46 HE1 LYS 46 8.658 -56.348 9.232 385 2HE LYS 46 HE2 LYS 46 9.108 -55.878 10.872 386 1HZ LYS 46 HZ3 LYS 46 7.949 -57.842 11.696 387 2HZ LYS 46 HZ1 LYS 46 7.562 -58.304 10.118 388 3HZ LYS 46 HZ2 LYS 46 9.176 -58.282 10.615 389 H CYS 47 HN CYS 47 4.034 -51.898 7.400 390 HA CYS 47 HA CYS 47 6.039 -51.933 5.354 391 1HB CYS 47 HB1 CYS 47 3.218 -52.083 5.393 392 2HB CYS 47 HB2 CYS 47 3.560 -50.612 4.525 393 H VAL 48 HN VAL 48 3.887 -49.090 6.330 394 HA VAL 48 HA VAL 48 5.387 -47.161 5.436 395 HB VAL 48 HB VAL 48 4.548 -46.450 8.208 396 1HG1 VAL 48 HG12 VAL 48 4.983 -44.843 6.250 397 2HG1 VAL 48 HG13 VAL 48 3.677 -45.714 5.417 398 3HG1 VAL 48 HG11 VAL 48 3.314 -44.709 6.830 399 1HG2 VAL 48 HG23 VAL 48 2.953 -48.107 7.956 400 2HG2 VAL 48 HG21 VAL 48 2.209 -46.504 7.931 401 3HG2 VAL 48 HG22 VAL 48 2.375 -47.427 6.433 402 H LYS 49 HN LYS 49 6.037 -48.661 8.574 403 HA LYS 49 HA LYS 49 8.336 -47.265 9.345 404 1HB LYS 49 HB1 LYS 49 6.959 -49.622 10.151 405 2HB LYS 49 HB2 LYS 49 8.639 -50.066 10.046 406 1HG LYS 49 HG1 LYS 49 8.382 -47.529 11.453 407 2HG LYS 49 HG2 LYS 49 7.258 -48.686 12.117 408 1HD LYS 49 HD1 LYS 49 9.059 -49.198 13.414 409 2HD LYS 49 HD2 LYS 49 9.406 -50.285 12.095 410 1HE LYS 49 HE1 LYS 49 10.593 -47.520 12.370 411 2HE LYS 49 HE2 LYS 49 11.357 -48.998 12.943 412 1HZ LYS 49 HZ1 LYS 49 10.617 -48.467 10.111 413 2HZ LYS 49 HZ2 LYS 49 12.176 -48.318 10.666 414 3HZ LYS 49 HZ3 LYS 49 11.428 -49.877 10.629 415 H ALA 50 HN ALA 50 8.442 -50.347 7.474 416 HA ALA 50 HA ALA 50 11.191 -50.408 6.769 417 1HB ALA 50 HB2 ALA 50 9.522 -52.227 6.451 418 2HB ALA 50 HB3 ALA 50 8.767 -51.311 5.173 419 3HB ALA 50 HB1 ALA 50 10.397 -51.942 4.974 420 H PHE 51 HN PHE 51 8.444 -48.919 5.024 421 HA PHE 51 HA PHE 51 9.725 -47.730 2.860 422 1HB PHE 51 HB1 PHE 51 7.197 -47.942 3.569 423 2HB PHE 51 HB2 PHE 51 7.433 -46.402 4.348 424 HD1 PHE 51 HD1 PHE 51 6.288 -47.874 1.376 425 HD2 PHE 51 HD2 PHE 51 8.457 -44.464 2.725 426 HE1 PHE 51 HE1 PHE 51 6.059 -46.954 -0.748 427 HE2 PHE 51 HE2 PHE 51 8.237 -43.487 0.478 428 HZ PHE 51 HZ PHE 51 7.090 -44.732 -1.304 429 H LYS 52 HN LYS 52 8.971 -46.078 5.988 430 HA LYS 52 HA LYS 52 10.334 -43.728 5.301 431 1HB LYS 52 HB1 LYS 52 8.571 -43.687 6.898 432 2HB LYS 52 HB2 LYS 52 9.414 -44.771 7.979 433 1HG LYS 52 HG1 LYS 52 10.788 -43.120 8.817 434 2HG LYS 52 HG2 LYS 52 10.810 -42.207 7.325 435 1HD LYS 52 HD1 LYS 52 9.707 -40.936 9.050 436 2HD LYS 52 HD2 LYS 52 8.575 -41.340 7.784 437 1HE LYS 52 HE1 LYS 52 7.538 -43.051 9.176 438 2HE LYS 52 HE2 LYS 52 8.741 -42.782 10.440 439 1HZ LYS 52 HZ1 LYS 52 6.937 -40.603 9.335 440 2HZ LYS 52 HZ2 LYS 52 6.632 -41.498 10.764 441 3HZ LYS 52 HZ3 LYS 52 8.002 -40.518 10.650 442 H ASP 53 HN ASP 53 11.606 -46.569 7.168 443 HA ASP 53 HA ASP 53 14.154 -45.417 7.690 444 1HB ASP 53 HB1 ASP 53 12.910 -48.084 7.834 445 2HB ASP 53 HB2 ASP 53 14.599 -48.181 7.408 446 H CYS 54 HN CYS 54 13.266 -47.542 4.924 447 HA CYS 54 HA CYS 54 15.660 -47.055 3.499 448 1HB CYS 54 HB1 CYS 54 12.987 -48.128 2.804 449 2HB CYS 54 HB2 CYS 54 14.095 -47.736 1.524 450 H CYS 55 HN CYS 55 12.633 -45.055 3.424 451 HA CYS 55 HA CYS 55 13.540 -43.147 1.602 452 1HB CYS 55 HB1 CYS 55 11.287 -43.144 2.540 453 2HB CYS 55 HB2 CYS 55 11.926 -42.677 4.102 454 OH TYR 56 OH TYR 56 13.764 -38.988 10.142 455 H TYR 56 HN TYR 56 14.352 -43.216 5.136 456 HA TYR 56 HA TYR 56 16.198 -41.105 5.096 457 1HB TYR 56 HB1 TYR 56 16.009 -43.588 6.769 458 2HB TYR 56 HB2 TYR 56 17.450 -42.604 6.889 459 HD1 TYR 56 HD1 TYR 56 17.370 -40.367 7.868 460 HD2 TYR 56 HD2 TYR 56 13.780 -42.607 7.464 461 HE1 TYR 56 HE1 TYR 56 16.216 -38.818 9.401 462 HE2 TYR 56 HE2 TYR 56 12.656 -41.069 9.010 463 HH TYR 56 HH TYR 56 12.852 -39.252 10.269 464 H ILE 57 HN ILE 57 16.961 -44.543 4.311 465 HA ILE 57 HA ILE 57 19.546 -43.983 3.268 466 HB ILE 57 HB ILE 57 17.627 -46.092 2.282 467 1HG1 ILE 57 HG11 ILE 57 17.952 -46.558 4.517 468 2HG1 ILE 57 HG12 ILE 57 19.025 -47.657 3.684 469 1HG2 ILE 57 HG21 ILE 57 20.620 -46.007 1.812 470 2HG2 ILE 57 HG22 ILE 57 19.581 -47.387 1.478 471 3HG2 ILE 57 HG23 ILE 57 19.366 -45.896 0.585 472 1HD1 ILE 57 HD11 ILE 57 20.936 -46.106 4.225 473 2HD1 ILE 57 HD12 ILE 57 19.794 -45.113 5.130 474 3HD1 ILE 57 HD13 ILE 57 20.142 -46.754 5.664 475 H ALA 58 HN ALA 58 16.573 -43.960 1.412 476 HA ALA 58 HA ALA 58 17.573 -43.024 -1.053 477 1HB ALA 58 HB2 ALA 58 15.243 -43.716 -0.807 478 2HB ALA 58 HB3 ALA 58 14.907 -42.284 0.160 479 3HB ALA 58 HB1 ALA 58 15.347 -42.116 -1.532 480 H ASN 59 HN ASN 59 16.533 -40.946 1.685 481 HA ASN 59 HA ASN 59 17.466 -38.534 0.534 482 1HB ASN 59 HB1 ASN 59 16.757 -39.251 3.361 483 2HB ASN 59 HB2 ASN 59 17.408 -37.667 2.949 484 1HD2 ASN 59 HD21 ASN 59 13.807 -38.648 1.312 485 2HD2 ASN 59 HD22 ASN 59 14.671 -39.885 2.184 486 H GLN 60 HN GLN 60 19.339 -40.803 2.614 487 HA GLN 60 HA GLN 60 21.747 -39.345 2.426 488 1HB GLN 60 HB1 GLN 60 21.299 -42.323 2.574 489 2HB GLN 60 HB2 GLN 60 22.893 -41.584 2.595 490 1HG GLN 60 HG1 GLN 60 22.138 -40.232 4.632 491 2HG GLN 60 HG2 GLN 60 20.690 -41.232 4.661 492 1HE2 GLN 60 HE21 GLN 60 24.214 -43.066 5.566 493 2HE2 GLN 60 HE22 GLN 60 24.279 -41.737 4.435 494 H VAL 61 HN VAL 61 20.480 -41.743 0.058 495 HA VAL 61 HA VAL 61 22.532 -41.401 -1.863 496 HB VAL 61 HB VAL 61 19.644 -42.215 -2.264 497 1HG1 VAL 61 HG11 VAL 61 21.970 -42.649 -4.175 498 2HG1 VAL 61 HG12 VAL 61 20.362 -43.343 -4.347 499 3HG1 VAL 61 HG13 VAL 61 20.586 -41.607 -4.474 500 1HG2 VAL 61 HG23 VAL 61 22.161 -43.898 -1.959 501 2HG2 VAL 61 HG21 VAL 61 20.866 -43.741 -0.774 502 3HG2 VAL 61 HG22 VAL 61 20.554 -44.529 -2.313 503 NH1 ARG 62 NH1 ARG 62 13.028 -38.660 -2.044 504 NH2 ARG 62 NH2 ARG 62 13.534 -36.967 -0.729 505 H ARG 62 HN ARG 62 19.528 -39.458 -1.512 506 HA ARG 62 HA ARG 62 20.037 -37.610 -3.577 507 1HB ARG 62 HB1 ARG 62 18.809 -37.027 -0.869 508 2HB ARG 62 HB2 ARG 62 18.717 -35.980 -2.271 509 1HG ARG 62 HG1 ARG 62 17.365 -37.620 -3.482 510 2HG ARG 62 HG2 ARG 62 17.542 -38.777 -2.168 511 1HD ARG 62 HD1 ARG 62 16.419 -37.016 -0.662 512 2HD ARG 62 HD2 ARG 62 16.025 -36.159 -2.150 513 HE ARG 62 HE ARG 62 15.243 -38.877 -2.455 514 1HH1 ARG 62 HH12 ARG 62 13.340 -39.420 -2.644 515 2HH1 ARG 62 HH11 ARG 62 12.052 -38.541 -1.849 516 1HH2 ARG 62 HH22 ARG 62 14.248 -36.427 -0.303 517 2HH2 ARG 62 HH21 ARG 62 12.561 -36.820 -0.500 518 H ALA 63 HN ALA 63 21.209 -37.406 -0.188 519 HA ALA 63 HA ALA 63 22.734 -35.014 -0.684 520 1HB ALA 63 HB2 ALA 63 21.717 -35.447 1.489 521 2HB ALA 63 HB3 ALA 63 22.679 -36.907 1.689 522 3HB ALA 63 HB1 ALA 63 23.464 -35.328 1.668 523 H GLU 64 HN GLU 64 23.814 -38.442 -0.138 524 HA GLU 64 HA GLU 64 26.611 -37.636 -0.517 525 1HB GLU 64 HB1 GLU 64 25.327 -40.309 0.112 526 2HB GLU 64 HB2 GLU 64 27.058 -40.036 0.026 527 1HG GLU 64 HG1 GLU 64 26.942 -38.473 1.949 528 2HG GLU 64 HG2 GLU 64 25.193 -38.632 2.003 529 H GLN 65 HN GLN 65 25.789 -36.914 -2.745 530 HA GLN 65 HA GLN 65 26.080 -39.111 -4.724 531 1HB GLN 65 HB1 GLN 65 23.719 -38.231 -4.266 532 2HB GLN 65 HB2 GLN 65 24.232 -36.721 -4.990 533 1HG GLN 65 HG1 GLN 65 24.637 -37.864 -7.153 534 2HG GLN 65 HG2 GLN 65 24.236 -39.415 -6.435 535 1HE2 GLN 65 HE21 GLN 65 20.700 -38.302 -6.250 536 2HE2 GLN 65 HE22 GLN 65 21.818 -38.910 -5.053 Start of MODEL 34 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 14.542 -42.944 8.546 2 2H MET 1 HT3 MET 1 13.328 -43.841 9.335 3 3H MET 1 HT2 MET 1 12.973 -42.335 8.623 4 HA MET 1 HA MET 1 14.424 -41.239 10.213 5 1HB MET 1 HB1 MET 1 12.277 -43.047 11.367 6 2HB MET 1 HB2 MET 1 13.017 -41.726 12.247 7 1HG MET 1 HG1 MET 1 12.151 -40.107 10.590 8 2HG MET 1 HG2 MET 1 11.423 -41.412 9.675 9 1HE MET 1 HE2 MET 1 11.453 -39.653 13.229 10 2HE MET 1 HE3 MET 1 10.641 -38.646 12.010 11 3HE MET 1 HE1 MET 1 9.729 -39.348 13.336 12 H LEU 2 HN LEU 2 14.220 -44.770 10.904 13 HA LEU 2 HA LEU 2 16.527 -44.442 12.719 14 1HB LEU 2 HB1 LEU 2 14.221 -46.379 12.827 15 2HB LEU 2 HB2 LEU 2 15.642 -46.550 13.833 16 HG LEU 2 HG LEU 2 13.858 -44.098 13.877 17 1HD1 LEU 2 HD12 LEU 2 13.835 -46.516 15.717 18 2HD1 LEU 2 HD13 LEU 2 12.901 -45.042 15.951 19 3HD1 LEU 2 HD11 LEU 2 12.572 -46.077 14.569 20 1HD2 LEU 2 HD22 LEU 2 15.937 -45.097 15.864 21 2HD2 LEU 2 HD23 LEU 2 16.126 -43.702 14.806 22 3HD2 LEU 2 HD21 LEU 2 14.915 -43.681 16.073 23 H GLN 3 HN GLN 3 18.270 -45.127 12.049 24 HA GLN 3 HA GLN 3 19.032 -46.751 9.951 25 1HB GLN 3 HB1 GLN 3 20.382 -45.094 11.248 26 2HB GLN 3 HB2 GLN 3 20.450 -46.205 12.594 27 1HG GLN 3 HG1 GLN 3 22.557 -46.244 11.416 28 2HG GLN 3 HG2 GLN 3 21.778 -47.793 11.174 29 1HE2 GLN 3 HE21 GLN 3 22.147 -47.464 7.733 30 2HE2 GLN 3 HE22 GLN 3 22.143 -48.494 9.146 31 H LYS 4 HN LYS 4 18.848 -47.652 13.324 32 HA LYS 4 HA LYS 4 19.292 -50.383 13.338 33 1HB LYS 4 HB1 LYS 4 19.211 -49.035 15.311 34 2HB LYS 4 HB2 LYS 4 17.570 -48.520 14.999 35 1HG LYS 4 HG1 LYS 4 16.693 -50.701 15.613 36 2HG LYS 4 HG2 LYS 4 18.316 -51.361 15.744 37 1HD LYS 4 HD1 LYS 4 18.812 -49.983 17.651 38 2HD LYS 4 HD2 LYS 4 17.388 -49.001 17.404 39 1HE LYS 4 HE1 LYS 4 17.103 -50.453 19.326 40 2HE LYS 4 HE2 LYS 4 15.940 -50.843 18.066 41 1HZ LYS 4 HZ2 LYS 4 18.513 -52.281 18.291 42 2HZ LYS 4 HZ3 LYS 4 17.132 -52.784 19.131 43 3HZ LYS 4 HZ1 LYS 4 17.113 -52.803 17.435 44 H LYS 5 HN LYS 5 16.221 -48.737 12.545 45 HA LYS 5 HA LYS 5 14.839 -51.265 12.323 46 1HB LYS 5 HB1 LYS 5 13.846 -48.458 11.956 47 2HB LYS 5 HB2 LYS 5 12.874 -49.882 11.716 48 1HG LYS 5 HG1 LYS 5 14.246 -49.186 14.345 49 2HG LYS 5 HG2 LYS 5 12.572 -48.825 13.989 50 1HD LYS 5 HD1 LYS 5 12.136 -51.289 13.729 51 2HD LYS 5 HD2 LYS 5 13.804 -51.600 14.165 52 1HE LYS 5 HE1 LYS 5 13.426 -50.488 16.354 53 2HE LYS 5 HE2 LYS 5 11.713 -50.349 15.939 54 1HZ LYS 5 HZ2 LYS 5 11.668 -52.753 15.568 55 2HZ LYS 5 HZ3 LYS 5 13.314 -52.926 15.979 56 3HZ LYS 5 HZ1 LYS 5 12.171 -52.426 17.151 57 H ILE 6 HN ILE 6 16.208 -49.060 9.828 58 HA ILE 6 HA ILE 6 15.357 -50.646 7.617 59 HB ILE 6 HB ILE 6 18.316 -50.023 7.773 60 1HG1 ILE 6 HG11 ILE 6 16.631 -47.905 6.568 61 2HG1 ILE 6 HG12 ILE 6 16.843 -47.907 8.318 62 1HG2 ILE 6 HG23 ILE 6 16.368 -50.148 5.404 63 2HG2 ILE 6 HG21 ILE 6 18.063 -49.780 5.273 64 3HG2 ILE 6 HG22 ILE 6 17.540 -51.351 5.824 65 1HD1 ILE 6 HD12 ILE 6 19.108 -47.958 6.309 66 2HD1 ILE 6 HD13 ILE 6 18.580 -46.562 7.240 67 3HD1 ILE 6 HD11 ILE 6 19.282 -47.956 8.056 68 H GLU 7 HN GLU 7 18.127 -51.064 9.769 69 HA GLU 7 HA GLU 7 19.019 -53.559 8.805 70 1HB GLU 7 HB1 GLU 7 19.407 -52.140 11.446 71 2HB GLU 7 HB2 GLU 7 20.195 -53.659 11.064 72 1HG GLU 7 HG1 GLU 7 21.596 -52.721 9.456 73 2HG GLU 7 HG2 GLU 7 20.466 -51.468 9.014 74 H GLU 8 HN GLU 8 16.779 -53.050 11.654 75 HA GLU 8 HA GLU 8 16.362 -55.858 11.888 76 1HB GLU 8 HB1 GLU 8 14.796 -53.499 12.935 77 2HB GLU 8 HB2 GLU 8 14.326 -55.154 13.275 78 1HG GLU 8 HG1 GLU 8 16.478 -55.604 14.378 79 2HG GLU 8 HG2 GLU 8 17.082 -54.027 13.930 80 H GLU 9 HN GLU 9 14.377 -53.586 9.834 81 HA GLU 9 HA GLU 9 12.568 -55.787 9.136 82 1HB GLU 9 HB1 GLU 9 12.785 -52.918 8.426 83 2HB GLU 9 HB2 GLU 9 12.037 -53.974 7.247 84 1HG GLU 9 HG1 GLU 9 10.331 -53.003 8.754 85 2HG GLU 9 HG2 GLU 9 10.380 -54.743 8.918 86 H ALA 10 HN ALA 10 14.945 -54.048 7.109 87 HA ALA 10 HA ALA 10 15.153 -56.231 5.253 88 1HB ALA 10 HB3 ALA 10 16.910 -53.815 5.718 89 2HB ALA 10 HB1 ALA 10 17.050 -54.916 4.347 90 3HB ALA 10 HB2 ALA 10 15.586 -53.956 4.558 91 H ALA 11 HN ALA 11 16.789 -56.338 8.428 92 HA ALA 11 HA ALA 11 18.412 -58.477 7.453 93 1HB ALA 11 HB1 ALA 11 17.314 -58.042 10.250 94 2HB ALA 11 HB2 ALA 11 18.550 -59.233 9.811 95 3HB ALA 11 HB3 ALA 11 18.864 -57.506 9.635 96 H LYS 12 HN LYS 12 15.041 -58.451 8.535 97 HA LYS 12 HA LYS 12 14.904 -61.206 9.177 98 1HB LYS 12 HB1 LYS 12 12.748 -59.147 8.737 99 2HB LYS 12 HB2 LYS 12 12.381 -60.817 9.145 100 1HG LYS 12 HG1 LYS 12 13.873 -60.542 11.190 101 2HG LYS 12 HG2 LYS 12 13.943 -58.831 10.819 102 1HD LYS 12 HD1 LYS 12 11.363 -60.342 11.329 103 2HD LYS 12 HD2 LYS 12 12.251 -59.511 12.573 104 1HE LYS 12 HE1 LYS 12 11.120 -58.097 10.138 105 2HE LYS 12 HE2 LYS 12 10.257 -58.271 11.657 106 1HZ LYS 12 HZ2 LYS 12 12.112 -57.184 12.782 107 2HZ LYS 12 HZ3 LYS 12 12.956 -56.991 11.315 108 3HZ LYS 12 HZ1 LYS 12 11.504 -56.112 11.591 109 OH TYR 13 OH TYR 13 17.559 -57.732 0.898 110 H TYR 13 HN TYR 13 13.740 -59.579 6.238 111 HA TYR 13 HA TYR 13 13.377 -60.268 4.134 112 1HB TYR 13 HB1 TYR 13 15.641 -61.939 4.992 113 2HB TYR 13 HB2 TYR 13 14.809 -62.497 3.562 114 HD1 TYR 13 HD1 TYR 13 15.646 -58.939 4.763 115 HD2 TYR 13 HD2 TYR 13 16.057 -61.883 1.698 116 HE1 TYR 13 HE1 TYR 13 16.790 -57.338 3.351 117 HE2 TYR 13 HE2 TYR 13 17.195 -60.214 0.289 118 HH TYR 13 HH TYR 13 17.521 -56.838 1.312 119 H LYS 14 HN LYS 14 12.739 -62.917 6.329 120 HA LYS 14 HA LYS 14 10.754 -64.282 4.840 121 1HB LYS 14 HB1 LYS 14 10.875 -63.726 7.831 122 2HB LYS 14 HB2 LYS 14 9.807 -64.894 7.075 123 1HG LYS 14 HG1 LYS 14 11.744 -66.196 6.283 124 2HG LYS 14 HG2 LYS 14 12.843 -65.015 6.981 125 1HD LYS 14 HD1 LYS 14 11.926 -65.502 9.236 126 2HD LYS 14 HD2 LYS 14 10.857 -66.709 8.533 127 1HE LYS 14 HE1 LYS 14 12.812 -67.993 7.744 128 2HE LYS 14 HE2 LYS 14 13.891 -66.774 8.424 129 1HZ LYS 14 HZ3 LYS 14 11.883 -68.343 9.946 130 2HZ LYS 14 HZ1 LYS 14 13.555 -68.618 9.972 131 3HZ LYS 14 HZ2 LYS 14 12.919 -67.176 10.594 132 OH TYR 15 OH TYR 15 6.156 -62.242 11.587 133 H TYR 15 HN TYR 15 10.397 -61.383 6.882 134 HA TYR 15 HA TYR 15 7.732 -60.818 5.923 135 1HB TYR 15 HB1 TYR 15 9.697 -59.230 7.588 136 2HB TYR 15 HB2 TYR 15 8.143 -58.591 7.097 137 HD1 TYR 15 HD1 TYR 15 6.052 -60.093 7.629 138 HD2 TYR 15 HD2 TYR 15 9.799 -60.619 9.543 139 HE1 TYR 15 HE1 TYR 15 4.937 -61.250 9.492 140 HE2 TYR 15 HE2 TYR 15 8.676 -61.796 11.402 141 HH TYR 15 HH TYR 15 5.214 -62.311 11.428 142 H ALA 16 HN ALA 16 8.424 -61.250 3.854 143 HA ALA 16 HA ALA 16 10.252 -59.901 2.256 144 1HB ALA 16 HB3 ALA 16 7.765 -61.448 1.460 145 2HB ALA 16 HB1 ALA 16 9.087 -61.023 0.375 146 3HB ALA 16 HB2 ALA 16 9.378 -62.099 1.735 147 H MET 17 HN MET 17 6.768 -59.302 2.408 148 HA MET 17 HA MET 17 6.641 -57.205 0.497 149 1HB MET 17 HB1 MET 17 4.741 -58.630 1.293 150 2HB MET 17 HB2 MET 17 4.788 -57.798 2.834 151 1HG MET 17 HG1 MET 17 4.208 -55.663 1.700 152 2HG MET 17 HG2 MET 17 4.188 -56.488 0.155 153 1HE MET 17 HE2 MET 17 2.480 -58.669 -0.258 154 2HE MET 17 HE3 MET 17 0.823 -58.129 -0.057 155 3HE MET 17 HE1 MET 17 1.963 -57.093 -0.898 156 H LEU 18 HN LEU 18 7.471 -57.166 3.908 157 HA LEU 18 HA LEU 18 7.067 -54.290 4.175 158 1HB LEU 18 HB1 LEU 18 8.081 -56.303 6.205 159 2HB LEU 18 HB2 LEU 18 7.634 -54.639 6.533 160 HG LEU 18 HG LEU 18 5.737 -56.802 5.563 161 1HD1 LEU 18 HD12 LEU 18 6.016 -55.520 8.286 162 2HD1 LEU 18 HD13 LEU 18 4.749 -56.648 7.816 163 3HD1 LEU 18 HD11 LEU 18 6.425 -57.178 7.873 164 1HD2 LEU 18 HD23 LEU 18 5.161 -53.941 6.381 165 2HD2 LEU 18 HD21 LEU 18 5.015 -54.596 4.757 166 3HD2 LEU 18 HD22 LEU 18 3.936 -55.165 6.028 167 H LYS 19 HN LYS 19 10.004 -56.448 4.465 168 HA LYS 19 HA LYS 19 11.695 -54.230 4.055 169 1HB LYS 19 HB1 LYS 19 13.446 -55.791 3.490 170 2HB LYS 19 HB2 LYS 19 12.503 -56.445 4.806 171 1HG LYS 19 HG1 LYS 19 12.647 -58.359 3.607 172 2HG LYS 19 HG2 LYS 19 11.268 -57.707 2.756 173 1HD LYS 19 HD1 LYS 19 12.810 -56.782 1.013 174 2HD LYS 19 HD2 LYS 19 14.161 -57.485 1.870 175 1HE LYS 19 HE1 LYS 19 13.113 -59.746 1.539 176 2HE LYS 19 HE2 LYS 19 11.858 -58.963 0.572 177 1HZ LYS 19 HZ1 LYS 19 14.777 -58.791 0.080 178 2HZ LYS 19 HZ2 LYS 19 13.704 -59.747 -0.819 179 3HZ LYS 19 HZ3 LYS 19 13.576 -58.055 -0.854 180 H LYS 20 HN LYS 20 9.934 -56.094 1.436 181 HA LYS 20 HA LYS 20 11.107 -54.584 -0.659 182 1HB LYS 20 HB1 LYS 20 9.667 -56.671 -0.865 183 2HB LYS 20 HB2 LYS 20 8.269 -55.653 -0.606 184 1HG LYS 20 HG1 LYS 20 8.833 -54.349 -2.652 185 2HG LYS 20 HG2 LYS 20 10.229 -55.381 -2.914 186 1HD LYS 20 HD1 LYS 20 8.737 -57.349 -3.121 187 2HD LYS 20 HD2 LYS 20 7.339 -56.315 -2.852 188 1HE LYS 20 HE1 LYS 20 7.895 -55.029 -4.891 189 2HE LYS 20 HE2 LYS 20 9.294 -56.068 -5.162 190 1HZ LYS 20 HZ3 LYS 20 7.816 -57.976 -5.233 191 2HZ LYS 20 HZ1 LYS 20 6.476 -56.979 -4.974 192 3HZ LYS 20 HZ2 LYS 20 7.361 -56.847 -6.411 193 H CYS 21 HN CYS 21 8.237 -53.716 1.462 194 HA CYS 21 HA CYS 21 7.800 -51.196 0.353 195 1HB CYS 21 HB1 CYS 21 6.523 -52.514 2.119 196 2HB CYS 21 HB2 CYS 21 7.639 -51.838 3.289 197 H CYS 22 HN CYS 22 10.188 -51.951 2.979 198 HA CYS 22 HA CYS 22 11.842 -49.643 2.922 199 1HB CYS 22 HB1 CYS 22 12.133 -51.933 4.104 200 2HB CYS 22 HB2 CYS 22 13.211 -52.175 2.778 201 OH TYR 23 OH TYR 23 17.292 -55.244 1.764 202 H TYR 23 HN TYR 23 12.108 -52.189 0.543 203 HA TYR 23 HA TYR 23 13.918 -50.537 -0.900 204 1HB TYR 23 HB1 TYR 23 12.651 -53.115 -1.647 205 2HB TYR 23 HB2 TYR 23 14.049 -52.380 -2.407 206 HD1 TYR 23 HD1 TYR 23 14.571 -51.680 1.306 207 HD2 TYR 23 HD2 TYR 23 14.321 -54.917 -1.556 208 HE1 TYR 23 HE1 TYR 23 16.377 -52.834 2.362 209 HE2 TYR 23 HE2 TYR 23 16.096 -56.108 -0.310 210 HH TYR 23 HH TYR 23 17.667 -54.671 2.439 211 H ASP 24 HN ASP 24 10.441 -50.920 -1.347 212 HA ASP 24 HA ASP 24 10.045 -49.156 -3.504 213 1HB ASP 24 HB1 ASP 24 8.362 -50.521 -1.944 214 2HB ASP 24 HB2 ASP 24 8.245 -48.992 -1.071 215 H GLY 25 HN GLY 25 10.549 -48.277 -0.064 216 1HA GLY 25 HA1 GLY 25 10.825 -45.470 -0.533 217 2HA GLY 25 HA2 GLY 25 11.416 -46.333 0.862 218 H ALA 26 HN ALA 26 13.327 -48.000 -0.537 219 HA ALA 26 HA ALA 26 15.526 -46.239 -0.896 220 1HB ALA 26 HB1 ALA 26 15.857 -48.550 -0.168 221 2HB ALA 26 HB2 ALA 26 15.326 -49.139 -1.743 222 3HB ALA 26 HB3 ALA 26 16.811 -48.211 -1.605 223 OH TYR 27 OH TYR 27 17.569 -52.357 -6.218 224 H TYR 27 HN TYR 27 13.714 -47.989 -3.511 225 HA TYR 27 HA TYR 27 15.319 -46.758 -5.560 226 1HB TYR 27 HB1 TYR 27 12.848 -48.489 -5.642 227 2HB TYR 27 HB2 TYR 27 13.552 -47.819 -7.097 228 HD1 TYR 27 HD1 TYR 27 15.888 -48.506 -7.778 229 HD2 TYR 27 HD2 TYR 27 13.951 -50.316 -4.463 230 HE1 TYR 27 HE1 TYR 27 17.529 -50.348 -7.815 231 HE2 TYR 27 HE2 TYR 27 15.591 -52.156 -4.515 232 HH TYR 27 HH TYR 27 17.386 -52.993 -5.525 233 NH1 ARG 28 NH1 ARG 28 7.049 -45.296 -4.131 234 NH2 ARG 28 NH2 ARG 28 7.338 -43.269 -4.831 235 H ARG 28 HN ARG 28 14.677 -44.615 -4.330 236 HA ARG 28 HA ARG 28 12.553 -43.251 -5.886 237 1HB ARG 28 HB1 ARG 28 13.313 -42.915 -2.963 238 2HB ARG 28 HB2 ARG 28 12.281 -41.781 -3.808 239 1HG ARG 28 HG1 ARG 28 11.630 -44.734 -3.491 240 2HG ARG 28 HG2 ARG 28 11.085 -43.497 -2.387 241 1HD ARG 28 HD1 ARG 28 9.777 -42.436 -4.091 242 2HD ARG 28 HD2 ARG 28 10.417 -43.501 -5.342 243 HE ARG 28 HE ARG 28 9.372 -45.287 -3.553 244 1HH1 ARG 28 HH12 ARG 28 7.344 -46.179 -3.715 245 2HH1 ARG 28 HH11 ARG 28 6.107 -45.177 -4.392 246 1HH2 ARG 28 HH22 ARG 28 7.921 -42.484 -4.984 247 2HH2 ARG 28 HH21 ARG 28 6.375 -43.236 -5.049 248 H ASN 29 HN ASN 29 12.841 -40.833 -6.044 249 HA ASN 29 HA ASN 29 15.541 -39.845 -6.188 250 1HB ASN 29 HB1 ASN 29 15.649 -41.442 -8.050 251 2HB ASN 29 HB2 ASN 29 14.271 -40.693 -8.828 252 1HD2 ASN 29 HD21 ASN 29 16.473 -38.615 -10.554 253 2HD2 ASN 29 HD22 ASN 29 14.783 -38.965 -10.321 254 H ASP 30 HN ASP 30 12.756 -39.191 -8.348 255 HA ASP 30 HA ASP 30 12.988 -36.347 -8.031 256 1HB ASP 30 HB1 ASP 30 10.921 -38.065 -9.470 257 2HB ASP 30 HB2 ASP 30 11.073 -36.323 -9.632 258 H ASP 31 HN ASP 31 12.590 -37.158 -5.528 259 HA ASP 31 HA ASP 31 9.703 -36.852 -4.873 260 1HB ASP 31 HB1 ASP 31 11.836 -38.499 -3.464 261 2HB ASP 31 HB2 ASP 31 10.172 -38.337 -2.916 262 H GLU 32 HN GLU 32 9.488 -34.804 -4.353 263 HA GLU 32 HA GLU 32 11.180 -33.121 -2.875 264 1HB GLU 32 HB1 GLU 32 9.236 -32.512 -4.395 265 2HB GLU 32 HB2 GLU 32 8.146 -32.979 -3.111 266 1HG GLU 32 HG1 GLU 32 8.322 -30.580 -3.040 267 2HG GLU 32 HG2 GLU 32 9.232 -31.158 -1.659 268 H THR 33 HN THR 33 8.603 -35.261 -1.652 269 HA THR 33 HA THR 33 9.781 -35.147 1.012 270 HB THR 33 HB THR 33 6.884 -34.325 0.615 271 HG1 THR 33 HG1 THR 33 9.183 -32.919 0.797 272 1HG2 THR 33 HG22 THR 33 8.488 -34.519 3.183 273 2HG2 THR 33 HG23 THR 33 6.863 -33.883 3.011 274 3HG2 THR 33 HG21 THR 33 7.157 -35.602 2.767 275 H CYS 34 HN CYS 34 9.937 -37.167 1.715 276 HA CYS 34 HA CYS 34 8.976 -39.471 0.484 277 1HB CYS 34 HB1 CYS 34 10.026 -38.968 3.291 278 2HB CYS 34 HB2 CYS 34 9.705 -40.567 2.670 279 H GLU 35 HN GLU 35 7.749 -37.844 3.343 280 HA GLU 35 HA GLU 35 5.800 -39.748 4.113 281 1HB GLU 35 HB1 GLU 35 6.048 -36.773 4.725 282 2HB GLU 35 HB2 GLU 35 4.873 -37.820 5.483 283 1HG GLU 35 HG1 GLU 35 6.721 -37.491 7.015 284 2HG GLU 35 HG2 GLU 35 6.716 -39.158 6.504 285 H GLU 36 HN GLU 36 5.507 -37.141 1.739 286 HA GLU 36 HA GLU 36 2.628 -37.248 1.539 287 1HB GLU 36 HB1 GLU 36 4.103 -35.328 0.817 288 2HB GLU 36 HB2 GLU 36 4.658 -36.296 -0.524 289 1HG GLU 36 HG1 GLU 36 1.731 -35.524 -0.140 290 2HG GLU 36 HG2 GLU 36 2.862 -34.543 -1.037 291 NH1 ARG 37 NH1 ARG 37 5.049 -41.396 -6.625 292 NH2 ARG 37 NH2 ARG 37 6.979 -40.494 -6.181 293 H ARG 37 HN ARG 37 5.256 -38.567 -0.450 294 HA ARG 37 HA ARG 37 3.757 -40.265 -2.111 295 1HB ARG 37 HB1 ARG 37 6.569 -40.774 -1.089 296 2HB ARG 37 HB2 ARG 37 5.830 -41.505 -2.495 297 1HG ARG 37 HG1 ARG 37 6.700 -38.631 -2.185 298 2HG ARG 37 HG2 ARG 37 7.417 -39.860 -3.197 299 1HD ARG 37 HD1 ARG 37 4.792 -38.433 -3.638 300 2HD ARG 37 HD2 ARG 37 6.238 -38.343 -4.609 301 HE ARG 37 HE ARG 37 4.330 -40.583 -4.581 302 1HH1 ARG 37 HH12 ARG 37 4.093 -41.527 -6.405 303 2HH1 ARG 37 HH11 ARG 37 5.475 -41.830 -7.404 304 1HH2 ARG 37 HH22 ARG 37 7.607 -39.996 -5.561 305 2HH2 ARG 37 HH21 ARG 37 7.320 -40.894 -7.017 306 H ALA 38 HN ALA 38 5.371 -41.120 1.021 307 HA ALA 38 HA ALA 38 3.972 -43.616 1.093 308 1HB ALA 38 HB2 ALA 38 5.877 -42.357 2.980 309 2HB ALA 38 HB3 ALA 38 5.125 -43.954 3.201 310 3HB ALA 38 HB1 ALA 38 6.062 -43.645 1.743 311 H ALA 39 HN ALA 39 2.798 -40.485 2.401 312 HA ALA 39 HA ALA 39 0.589 -41.694 3.642 313 1HB ALA 39 HB1 ALA 39 0.963 -39.269 3.658 314 2HB ALA 39 HB2 ALA 39 0.658 -39.191 1.926 315 3HB ALA 39 HB3 ALA 39 -0.644 -39.636 3.031 316 NH1 ARG 40 NH1 ARG 40 -1.589 -36.502 -2.481 317 NH2 ARG 40 NH2 ARG 40 -3.240 -37.955 -2.449 318 H ARG 40 HN ARG 40 1.179 -41.234 0.144 319 HA ARG 40 HA ARG 40 -1.211 -42.639 -0.637 320 1HB ARG 40 HB1 ARG 40 1.305 -42.478 -2.298 321 2HB ARG 40 HB2 ARG 40 -0.339 -42.693 -2.865 322 1HG ARG 40 HG1 ARG 40 0.809 -40.164 -1.630 323 2HG ARG 40 HG2 ARG 40 0.548 -40.435 -3.334 324 1HD ARG 40 HD1 ARG 40 -1.850 -40.426 -3.046 325 2HD ARG 40 HD2 ARG 40 -1.680 -40.314 -1.284 326 HE ARG 40 HE ARG 40 -0.152 -38.204 -2.325 327 1HH1 ARG 40 HH12 ARG 40 -0.580 -36.381 -2.442 328 2HH1 ARG 40 HH11 ARG 40 -2.225 -35.753 -2.556 329 1HH2 ARG 40 HH22 ARG 40 -3.515 -38.903 -2.398 330 2HH2 ARG 40 HH21 ARG 40 -3.883 -37.209 -2.518 331 H ILE 41 HN ILE 41 2.144 -43.966 -0.300 332 HA ILE 41 HA ILE 41 1.291 -46.626 -0.470 333 HB ILE 41 HB ILE 41 4.006 -45.855 0.676 334 1HG1 ILE 41 HG11 ILE 41 4.269 -47.059 -1.799 335 2HG1 ILE 41 HG12 ILE 41 2.828 -46.059 -2.044 336 1HG2 ILE 41 HG23 ILE 41 2.879 -48.432 -0.150 337 2HG2 ILE 41 HG21 ILE 41 4.603 -47.931 0.166 338 3HG2 ILE 41 HG22 ILE 41 3.373 -47.960 1.485 339 1HD1 ILE 41 HD12 ILE 41 5.244 -45.035 -0.662 340 2HD1 ILE 41 HD13 ILE 41 5.069 -44.909 -2.440 341 3HD1 ILE 41 HD11 ILE 41 3.943 -44.098 -1.345 342 H LYS 42 HN LYS 42 -0.229 -46.797 0.478 343 HA LYS 42 HA LYS 42 -0.877 -46.314 3.296 344 1HB LYS 42 HB1 LYS 42 -2.381 -46.552 0.774 345 2HB LYS 42 HB2 LYS 42 -3.199 -47.330 2.101 346 1HG LYS 42 HG1 LYS 42 -2.166 -44.583 2.639 347 2HG LYS 42 HG2 LYS 42 -3.440 -44.712 1.463 348 1HD LYS 42 HD1 LYS 42 -4.471 -44.238 3.532 349 2HD LYS 42 HD2 LYS 42 -4.859 -45.888 3.145 350 1HE LYS 42 HE1 LYS 42 -2.569 -45.335 5.006 351 2HE LYS 42 HE2 LYS 42 -4.208 -45.126 5.594 352 1HZ LYS 42 HZ2 LYS 42 -4.672 -47.414 4.784 353 2HZ LYS 42 HZ3 LYS 42 -3.020 -47.673 4.466 354 3HZ LYS 42 HZ1 LYS 42 -3.546 -47.357 6.038 355 H ILE 43 HN ILE 43 0.564 -48.975 2.210 356 HA ILE 43 HA ILE 43 -1.366 -51.051 2.491 357 HB ILE 43 HB ILE 43 1.645 -51.197 2.282 358 1HG1 ILE 43 HG11 ILE 43 -0.415 -51.770 0.136 359 2HG1 ILE 43 HG12 ILE 43 0.267 -50.177 0.349 360 1HG2 ILE 43 HG21 ILE 43 -0.383 -53.449 1.974 361 2HG2 ILE 43 HG22 ILE 43 1.333 -53.580 1.614 362 3HG2 ILE 43 HG23 ILE 43 0.812 -53.319 3.258 363 1HD1 ILE 43 HD11 ILE 43 2.543 -51.088 -0.086 364 2HD1 ILE 43 HD12 ILE 43 1.847 -52.679 -0.363 365 3HD1 ILE 43 HD13 ILE 43 1.446 -51.350 -1.437 366 H GLY 44 HN GLY 44 1.249 -50.124 4.811 367 1HA GLY 44 HA1 GLY 44 -0.423 -50.967 6.986 368 2HA GLY 44 HA2 GLY 44 0.859 -52.120 6.709 369 HA PRO 45 HA PRO 45 2.124 -48.316 9.588 370 1HB PRO 45 HB1 PRO 45 2.175 -50.622 11.562 371 2HB PRO 45 HB2 PRO 45 1.884 -48.896 11.846 372 1HG PRO 45 HG1 PRO 45 -0.209 -50.487 11.700 373 2HG PRO 45 HG2 PRO 45 -0.253 -48.975 10.768 374 1HD PRO 45 HD1 PRO 45 0.421 -51.775 9.799 375 2HD PRO 45 HD2 PRO 45 -0.687 -50.574 9.098 376 H LYS 46 HN LYS 46 3.427 -51.616 9.913 377 HA LYS 46 HA LYS 46 6.149 -50.927 10.229 378 1HB LYS 46 HB1 LYS 46 4.846 -53.477 9.255 379 2HB LYS 46 HB2 LYS 46 6.571 -53.312 9.517 380 1HG LYS 46 HG1 LYS 46 6.148 -52.778 11.914 381 2HG LYS 46 HG2 LYS 46 4.427 -53.034 11.652 382 1HD LYS 46 HD1 LYS 46 4.873 -55.364 10.950 383 2HD LYS 46 HD2 LYS 46 6.597 -55.109 11.174 384 1HE LYS 46 HE1 LYS 46 6.214 -54.685 13.584 385 2HE LYS 46 HE2 LYS 46 4.490 -54.981 13.351 386 1HZ LYS 46 HZ1 LYS 46 5.025 -57.178 12.492 387 2HZ LYS 46 HZ2 LYS 46 6.673 -56.892 12.720 388 3HZ LYS 46 HZ3 LYS 46 5.643 -57.002 14.058 389 H CYS 47 HN CYS 47 4.236 -51.295 7.330 390 HA CYS 47 HA CYS 47 6.361 -51.323 5.407 391 1HB CYS 47 HB1 CYS 47 4.069 -52.158 4.978 392 2HB CYS 47 HB2 CYS 47 3.445 -50.551 5.180 393 H VAL 48 HN VAL 48 4.012 -48.546 6.020 394 HA VAL 48 HA VAL 48 5.461 -46.596 5.113 395 HB VAL 48 HB VAL 48 4.359 -45.760 7.759 396 1HG1 VAL 48 HG11 VAL 48 4.807 -44.257 5.713 397 2HG1 VAL 48 HG12 VAL 48 3.634 -45.284 4.868 398 3HG1 VAL 48 HG13 VAL 48 3.098 -44.219 6.174 399 1HG2 VAL 48 HG23 VAL 48 2.928 -47.528 7.543 400 2HG2 VAL 48 HG21 VAL 48 2.065 -45.995 7.346 401 3HG2 VAL 48 HG22 VAL 48 2.397 -47.014 5.939 402 H LYS 49 HN LYS 49 6.030 -47.894 8.352 403 HA LYS 49 HA LYS 49 8.213 -46.223 9.090 404 1HB LYS 49 HB1 LYS 49 6.831 -47.821 10.516 405 2HB LYS 49 HB2 LYS 49 7.867 -49.092 9.913 406 1HG LYS 49 HG1 LYS 49 9.855 -47.760 10.853 407 2HG LYS 49 HG2 LYS 49 8.688 -46.662 11.547 408 1HD LYS 49 HD1 LYS 49 9.388 -48.227 13.252 409 2HD LYS 49 HD2 LYS 49 7.704 -48.492 12.877 410 1HE LYS 49 HE1 LYS 49 8.894 -50.609 13.210 411 2HE LYS 49 HE2 LYS 49 8.270 -50.506 11.574 412 1HZ LYS 49 HZ1 LYS 49 10.464 -49.687 10.863 413 2HZ LYS 49 HZ2 LYS 49 11.015 -49.833 12.436 414 3HZ LYS 49 HZ3 LYS 49 10.656 -51.251 11.524 415 H ALA 50 HN ALA 50 8.598 -49.603 7.775 416 HA ALA 50 HA ALA 50 11.358 -49.695 7.175 417 1HB ALA 50 HB2 ALA 50 9.785 -51.562 7.005 418 2HB ALA 50 HB3 ALA 50 9.047 -50.835 5.594 419 3HB ALA 50 HB1 ALA 50 10.713 -51.403 5.531 420 H PHE 51 HN PHE 51 8.691 -48.405 5.153 421 HA PHE 51 HA PHE 51 10.094 -47.412 2.960 422 1HB PHE 51 HB1 PHE 51 7.537 -47.559 3.472 423 2HB PHE 51 HB2 PHE 51 7.716 -45.980 4.193 424 HD1 PHE 51 HD1 PHE 51 6.900 -47.628 1.189 425 HD2 PHE 51 HD2 PHE 51 8.869 -44.117 2.580 426 HE1 PHE 51 HE1 PHE 51 6.832 -46.761 -0.983 427 HE2 PHE 51 HE2 PHE 51 8.874 -43.240 0.299 428 HZ PHE 51 HZ PHE 51 7.953 -44.590 -1.536 429 H LYS 52 HN LYS 52 9.160 -45.380 5.868 430 HA LYS 52 HA LYS 52 10.624 -43.135 5.010 431 1HB LYS 52 HB1 LYS 52 9.859 -43.938 7.827 432 2HB LYS 52 HB2 LYS 52 10.548 -42.379 7.403 433 1HG LYS 52 HG1 LYS 52 8.618 -41.887 5.967 434 2HG LYS 52 HG2 LYS 52 7.915 -43.449 6.365 435 1HD LYS 52 HD1 LYS 52 8.328 -42.484 8.889 436 2HD LYS 52 HD2 LYS 52 8.193 -40.969 8.028 437 1HE LYS 52 HE1 LYS 52 6.007 -41.457 8.802 438 2HE LYS 52 HE2 LYS 52 5.986 -41.829 7.079 439 1HZ LYS 52 HZ3 LYS 52 6.542 -44.154 7.657 440 2HZ LYS 52 HZ1 LYS 52 6.417 -43.753 9.292 441 3HZ LYS 52 HZ2 LYS 52 5.039 -43.665 8.309 442 H ASP 53 HN ASP 53 11.740 -45.905 6.910 443 HA ASP 53 HA ASP 53 14.304 -44.834 7.590 444 1HB ASP 53 HB1 ASP 53 13.372 -47.712 7.380 445 2HB ASP 53 HB2 ASP 53 14.857 -47.179 8.135 446 H CYS 54 HN CYS 54 13.546 -47.180 4.956 447 HA CYS 54 HA CYS 54 16.002 -46.756 3.604 448 1HB CYS 54 HB1 CYS 54 13.368 -47.892 2.824 449 2HB CYS 54 HB2 CYS 54 14.588 -47.625 1.618 450 H CYS 55 HN CYS 55 12.951 -44.841 3.284 451 HA CYS 55 HA CYS 55 13.922 -43.242 1.168 452 1HB CYS 55 HB1 CYS 55 11.527 -43.459 2.185 453 2HB CYS 55 HB2 CYS 55 12.022 -42.119 3.194 454 OH TYR 56 OH TYR 56 21.179 -42.847 8.772 455 H TYR 56 HN TYR 56 14.321 -42.772 4.708 456 HA TYR 56 HA TYR 56 16.088 -40.616 4.653 457 1HB TYR 56 HB1 TYR 56 15.622 -41.152 6.782 458 2HB TYR 56 HB2 TYR 56 15.527 -42.863 6.462 459 HD1 TYR 56 HD1 TYR 56 18.020 -40.114 7.092 460 HD2 TYR 56 HD2 TYR 56 17.317 -44.302 7.001 461 HE1 TYR 56 HE1 TYR 56 20.201 -40.522 8.181 462 HE2 TYR 56 HE2 TYR 56 19.491 -44.682 8.102 463 HH TYR 56 HH TYR 56 21.360 -43.812 8.825 464 H ILE 57 HN ILE 57 17.142 -44.079 4.265 465 HA ILE 57 HA ILE 57 19.681 -43.456 3.233 466 HB ILE 57 HB ILE 57 17.862 -45.716 2.392 467 1HG1 ILE 57 HG11 ILE 57 18.297 -46.010 4.654 468 2HG1 ILE 57 HG12 ILE 57 19.353 -47.138 3.836 469 1HG2 ILE 57 HG22 ILE 57 20.822 -45.557 1.771 470 2HG2 ILE 57 HG23 ILE 57 19.832 -47.002 1.609 471 3HG2 ILE 57 HG21 ILE 57 19.504 -45.603 0.610 472 1HD1 ILE 57 HD13 ILE 57 21.243 -45.486 4.122 473 2HD1 ILE 57 HD11 ILE 57 20.121 -44.471 5.032 474 3HD1 ILE 57 HD12 ILE 57 20.584 -46.046 5.660 475 H ALA 58 HN ALA 58 16.821 -43.729 1.265 476 HA ALA 58 HA ALA 58 17.874 -43.091 -1.245 477 1HB ALA 58 HB2 ALA 58 15.557 -43.795 -0.999 478 2HB ALA 58 HB3 ALA 58 15.153 -42.244 -0.269 479 3HB ALA 58 HB1 ALA 58 15.675 -42.318 -1.945 480 H ASN 59 HN ASN 59 16.572 -40.565 1.014 481 HA ASN 59 HA ASN 59 17.543 -38.458 -0.649 482 1HB ASN 59 HB1 ASN 59 17.093 -36.868 1.115 483 2HB ASN 59 HB2 ASN 59 15.733 -37.913 0.774 484 1HD2 ASN 59 HD21 ASN 59 14.998 -38.219 3.770 485 2HD2 ASN 59 HD22 ASN 59 15.225 -39.609 2.739 486 H GLN 60 HN GLN 60 19.189 -40.074 2.104 487 HA GLN 60 HA GLN 60 21.486 -38.402 1.958 488 1HB GLN 60 HB1 GLN 60 21.403 -41.286 2.862 489 2HB GLN 60 HB2 GLN 60 22.695 -40.147 3.166 490 1HG GLN 60 HG1 GLN 60 19.888 -40.081 4.329 491 2HG GLN 60 HG2 GLN 60 21.385 -40.388 5.184 492 1HE2 GLN 60 HE21 GLN 60 20.239 -36.587 4.721 493 2HE2 GLN 60 HE22 GLN 60 19.220 -37.851 4.090 494 H VAL 61 HN VAL 61 20.936 -41.586 0.287 495 HA VAL 61 HA VAL 61 23.451 -41.453 -1.030 496 HB VAL 61 HB VAL 61 22.072 -43.510 -0.610 497 1HG1 VAL 61 HG13 VAL 61 19.982 -42.954 -1.698 498 2HG1 VAL 61 HG11 VAL 61 20.771 -42.859 -3.268 499 3HG1 VAL 61 HG12 VAL 61 20.686 -44.395 -2.419 500 1HG2 VAL 61 HG21 VAL 61 24.193 -43.620 -1.749 501 2HG2 VAL 61 HG22 VAL 61 23.065 -44.726 -2.518 502 3HG2 VAL 61 HG23 VAL 61 23.446 -43.188 -3.284 503 NH1 ARG 62 NH1 ARG 62 19.673 -42.517 -7.562 504 NH2 ARG 62 NH2 ARG 62 17.788 -42.879 -6.516 505 H ARG 62 HN ARG 62 20.269 -40.222 -2.105 506 HA ARG 62 HA ARG 62 21.062 -39.263 -4.620 507 1HB ARG 62 HB1 ARG 62 18.867 -38.717 -2.749 508 2HB ARG 62 HB2 ARG 62 19.280 -37.339 -3.739 509 1HG ARG 62 HG1 ARG 62 17.505 -38.567 -4.789 510 2HG ARG 62 HG2 ARG 62 18.929 -38.670 -5.781 511 1HD ARG 62 HD1 ARG 62 18.701 -40.962 -3.945 512 2HD ARG 62 HD2 ARG 62 17.287 -40.775 -4.963 513 HE ARG 62 HE ARG 62 19.828 -40.551 -6.404 514 1HH1 ARG 62 HH12 ARG 62 20.497 -41.946 -7.725 515 2HH1 ARG 62 HH11 ARG 62 19.499 -43.332 -8.091 516 1HH2 ARG 62 HH22 ARG 62 17.067 -42.578 -5.874 517 2HH2 ARG 62 HH21 ARG 62 17.690 -43.704 -7.045 518 H ALA 63 HN ALA 63 21.456 -37.600 -1.466 519 HA ALA 63 HA ALA 63 22.794 -35.326 -2.563 520 1HB ALA 63 HB2 ALA 63 21.643 -35.272 -0.401 521 2HB ALA 63 HB3 ALA 63 22.756 -36.471 0.251 522 3HB ALA 63 HB1 ALA 63 23.344 -34.866 -0.184 523 H GLU 64 HN GLU 64 24.050 -38.436 -1.415 524 HA GLU 64 HA GLU 64 26.813 -37.699 -1.582 525 1HB GLU 64 HB1 GLU 64 25.489 -40.422 -1.564 526 2HB GLU 64 HB2 GLU 64 27.223 -40.168 -1.460 527 1HG GLU 64 HG1 GLU 64 26.983 -38.977 0.680 528 2HG GLU 64 HG2 GLU 64 25.229 -39.057 0.565 529 H GLN 65 HN GLN 65 24.652 -38.924 -4.127 530 HA GLN 65 HA GLN 65 26.919 -39.564 -5.837 531 1HB GLN 65 HB1 GLN 65 25.372 -40.456 -7.398 532 2HB GLN 65 HB2 GLN 65 24.942 -41.005 -5.795 533 1HG GLN 65 HG1 GLN 65 23.200 -38.974 -5.888 534 2HG GLN 65 HG2 GLN 65 23.464 -39.088 -7.614 535 1HE2 GLN 65 HE21 GLN 65 21.614 -42.243 -5.795 536 2HE2 GLN 65 HE22 GLN 65 22.728 -41.273 -4.867 Start of MODEL 35 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 14.759 -42.407 8.558 2 2H MET 1 HT2 MET 1 13.593 -43.322 9.391 3 3H MET 1 HT1 MET 1 13.209 -41.760 8.753 4 HA MET 1 HA MET 1 14.710 -40.740 10.289 5 1HB MET 1 HB1 MET 1 12.809 -42.741 11.547 6 2HB MET 1 HB2 MET 1 13.601 -41.467 12.453 7 1HG MET 1 HG1 MET 1 12.488 -39.755 11.070 8 2HG MET 1 HG2 MET 1 11.725 -41.001 10.106 9 1HE MET 1 HE1 MET 1 12.089 -39.689 13.851 10 2HE MET 1 HE2 MET 1 11.164 -38.543 12.856 11 3HE MET 1 HE3 MET 1 10.382 -39.425 14.157 12 H LEU 2 HN LEU 2 14.841 -44.328 10.829 13 HA LEU 2 HA LEU 2 17.445 -43.879 12.137 14 1HB LEU 2 HB1 LEU 2 15.068 -45.300 13.288 15 2HB LEU 2 HB2 LEU 2 16.672 -45.719 13.840 16 HG LEU 2 HG LEU 2 15.544 -42.912 14.002 17 1HD1 LEU 2 HD13 LEU 2 14.181 -44.456 15.364 18 2HD1 LEU 2 HD11 LEU 2 15.638 -45.077 16.138 19 3HD1 LEU 2 HD12 LEU 2 15.145 -43.407 16.392 20 1HD2 LEU 2 HD21 LEU 2 17.910 -44.215 15.409 21 2HD2 LEU 2 HD22 LEU 2 18.019 -43.014 14.125 22 3HD2 LEU 2 HD23 LEU 2 17.331 -42.575 15.676 23 H GLN 3 HN GLN 3 18.962 -45.006 11.532 24 HA GLN 3 HA GLN 3 19.211 -47.158 9.825 25 1HB GLN 3 HB1 GLN 3 20.980 -46.262 12.117 26 2HB GLN 3 HB2 GLN 3 21.458 -47.479 10.960 27 1HG GLN 3 HG1 GLN 3 22.512 -45.451 10.292 28 2HG GLN 3 HG2 GLN 3 21.241 -45.752 9.132 29 1HE2 GLN 3 HE21 GLN 3 20.773 -42.247 9.653 30 2HE2 GLN 3 HE22 GLN 3 21.755 -43.357 8.745 31 H LYS 4 HN LYS 4 18.914 -47.251 13.305 32 HA LYS 4 HA LYS 4 19.079 -50.007 13.774 33 1HB LYS 4 HB1 LYS 4 19.230 -48.167 15.467 34 2HB LYS 4 HB2 LYS 4 17.512 -47.894 15.305 35 1HG LYS 4 HG1 LYS 4 17.918 -49.147 17.328 36 2HG LYS 4 HG2 LYS 4 17.096 -50.203 16.198 37 1HD LYS 4 HD1 LYS 4 19.324 -51.209 15.595 38 2HD LYS 4 HD2 LYS 4 20.071 -50.194 16.818 39 1HE LYS 4 HE1 LYS 4 18.900 -51.333 18.576 40 2HE LYS 4 HE2 LYS 4 17.853 -52.165 17.421 41 1HZ LYS 4 HZ2 LYS 4 19.856 -53.195 16.391 42 2HZ LYS 4 HZ3 LYS 4 20.807 -52.440 17.591 43 3HZ LYS 4 HZ1 LYS 4 19.681 -53.623 18.045 44 H LYS 5 HN LYS 5 16.272 -48.111 12.696 45 HA LYS 5 HA LYS 5 14.410 -50.288 13.070 46 1HB LYS 5 HB1 LYS 5 14.077 -47.615 11.709 47 2HB LYS 5 HB2 LYS 5 12.781 -48.758 11.989 48 1HG LYS 5 HG1 LYS 5 14.449 -47.554 14.226 49 2HG LYS 5 HG2 LYS 5 12.962 -46.841 13.649 50 1HD LYS 5 HD1 LYS 5 11.643 -48.615 14.440 51 2HD LYS 5 HD2 LYS 5 13.002 -49.690 14.672 52 1HE LYS 5 HE1 LYS 5 12.604 -47.155 16.276 53 2HE LYS 5 HE2 LYS 5 11.964 -48.722 16.764 54 1HZ LYS 5 HZ3 LYS 5 14.266 -49.674 16.596 55 2HZ LYS 5 HZ1 LYS 5 14.818 -48.106 16.230 56 3HZ LYS 5 HZ2 LYS 5 14.138 -48.412 17.749 57 H ILE 6 HN ILE 6 16.073 -48.915 10.169 58 HA ILE 6 HA ILE 6 15.174 -50.919 8.356 59 HB ILE 6 HB ILE 6 18.020 -49.885 8.378 60 1HG1 ILE 6 HG11 ILE 6 16.907 -48.764 6.147 61 2HG1 ILE 6 HG12 ILE 6 15.540 -48.761 7.227 62 1HG2 ILE 6 HG21 ILE 6 16.599 -51.392 6.101 63 2HG2 ILE 6 HG22 ILE 6 18.154 -50.607 5.986 64 3HG2 ILE 6 HG23 ILE 6 17.950 -51.976 7.051 65 1HD1 ILE 6 HD11 ILE 6 18.276 -47.584 7.816 66 2HD1 ILE 6 HD12 ILE 6 16.842 -46.666 7.378 67 3HD1 ILE 6 HD13 ILE 6 16.896 -47.522 8.913 68 H GLU 7 HN GLU 7 17.959 -51.091 10.599 69 HA GLU 7 HA GLU 7 18.608 -53.787 10.214 70 1HB GLU 7 HB1 GLU 7 19.993 -52.151 11.440 71 2HB GLU 7 HB2 GLU 7 18.849 -52.169 12.757 72 1HG GLU 7 HG1 GLU 7 20.038 -54.828 11.988 73 2HG GLU 7 HG2 GLU 7 21.118 -53.674 12.738 74 H GLU 8 HN GLU 8 16.297 -52.590 12.801 75 HA GLU 8 HA GLU 8 15.645 -55.192 13.639 76 1HB GLU 8 HB1 GLU 8 14.022 -52.628 13.769 77 2HB GLU 8 HB2 GLU 8 13.527 -54.112 14.568 78 1HG GLU 8 HG1 GLU 8 15.576 -54.094 15.959 79 2HG GLU 8 HG2 GLU 8 16.139 -52.644 15.135 80 H GLU 9 HN GLU 9 14.029 -53.507 10.867 81 HA GLU 9 HA GLU 9 12.390 -55.939 10.461 82 1HB GLU 9 HB1 GLU 9 12.376 -53.213 9.402 83 2HB GLU 9 HB2 GLU 9 12.054 -54.441 8.199 84 1HG GLU 9 HG1 GLU 9 9.972 -53.569 9.349 85 2HG GLU 9 HG2 GLU 9 10.154 -55.305 9.447 86 H ALA 10 HN ALA 10 15.002 -54.499 8.432 87 HA ALA 10 HA ALA 10 15.313 -56.969 6.980 88 1HB ALA 10 HB1 ALA 10 17.073 -54.519 7.175 89 2HB ALA 10 HB2 ALA 10 17.317 -55.848 6.042 90 3HB ALA 10 HB3 ALA 10 15.862 -54.858 5.936 91 H ALA 11 HN ALA 11 16.614 -56.465 10.230 92 HA ALA 11 HA ALA 11 18.317 -58.731 9.970 93 1HB ALA 11 HB3 ALA 11 16.839 -57.626 12.398 94 2HB ALA 11 HB1 ALA 11 18.097 -58.874 12.458 95 3HB ALA 11 HB2 ALA 11 18.471 -57.247 11.899 96 H LYS 12 HN LYS 12 14.814 -58.552 10.311 97 HA LYS 12 HA LYS 12 14.499 -61.097 11.578 98 1HB LYS 12 HB1 LYS 12 12.478 -59.296 10.231 99 2HB LYS 12 HB2 LYS 12 12.058 -60.798 11.041 100 1HG LYS 12 HG1 LYS 12 13.112 -59.844 13.150 101 2HG LYS 12 HG2 LYS 12 13.254 -58.311 12.301 102 1HD LYS 12 HD1 LYS 12 10.773 -58.346 11.911 103 2HD LYS 12 HD2 LYS 12 10.682 -59.819 12.858 104 1HE LYS 12 HE1 LYS 12 10.049 -58.159 14.366 105 2HE LYS 12 HE2 LYS 12 11.732 -58.474 14.774 106 1HZ LYS 12 HZ2 LYS 12 12.374 -56.565 13.284 107 2HZ LYS 12 HZ3 LYS 12 10.738 -56.232 12.997 108 3HZ LYS 12 HZ1 LYS 12 11.360 -56.098 14.584 109 OH TYR 13 OH TYR 13 18.120 -59.066 3.091 110 H TYR 13 HN TYR 13 13.841 -60.131 8.218 111 HA TYR 13 HA TYR 13 13.731 -61.224 6.266 112 1HB TYR 13 HB1 TYR 13 15.923 -62.596 7.674 113 2HB TYR 13 HB2 TYR 13 15.282 -63.442 6.286 114 HD1 TYR 13 HD1 TYR 13 15.935 -59.706 6.947 115 HD2 TYR 13 HD2 TYR 13 16.655 -63.088 4.442 116 HE1 TYR 13 HE1 TYR 13 17.155 -58.316 5.389 117 HE2 TYR 13 HE2 TYR 13 17.873 -61.630 2.875 118 HH TYR 13 HH TYR 13 18.034 -58.120 3.353 119 H LYS 14 HN LYS 14 12.900 -63.431 8.850 120 HA LYS 14 HA LYS 14 11.074 -65.104 7.491 121 1HB LYS 14 HB1 LYS 14 11.789 -65.304 9.868 122 2HB LYS 14 HB2 LYS 14 10.882 -63.861 10.262 123 1HG LYS 14 HG1 LYS 14 8.763 -65.045 9.669 124 2HG LYS 14 HG2 LYS 14 9.688 -66.467 9.236 125 1HD LYS 14 HD1 LYS 14 8.804 -66.863 11.405 126 2HD LYS 14 HD2 LYS 14 10.516 -66.560 11.621 127 1HE LYS 14 HE1 LYS 14 10.030 -64.249 12.358 128 2HE LYS 14 HE2 LYS 14 8.309 -64.526 12.088 129 1HZ LYS 14 HZ2 LYS 14 10.050 -66.096 13.908 130 2HZ LYS 14 HZ3 LYS 14 8.936 -64.925 14.413 131 3HZ LYS 14 HZ1 LYS 14 8.398 -66.346 13.667 132 OH TYR 15 OH TYR 15 5.208 -61.548 12.886 133 H TYR 15 HN TYR 15 10.445 -61.871 8.899 134 HA TYR 15 HA TYR 15 7.960 -61.533 7.478 135 1HB TYR 15 HB1 TYR 15 9.680 -59.684 9.134 136 2HB TYR 15 HB2 TYR 15 8.294 -59.090 8.251 137 HD1 TYR 15 HD1 TYR 15 6.034 -60.375 8.637 138 HD2 TYR 15 HD2 TYR 15 9.329 -60.715 11.278 139 HE1 TYR 15 HE1 TYR 15 4.507 -61.021 10.474 140 HE2 TYR 15 HE2 TYR 15 7.813 -61.357 13.100 141 HH TYR 15 HH TYR 15 5.694 -61.743 13.688 142 H ALA 16 HN ALA 16 8.957 -62.315 5.627 143 HA ALA 16 HA ALA 16 10.989 -61.199 4.090 144 1HB ALA 16 HB3 ALA 16 8.665 -62.957 3.241 145 2HB ALA 16 HB1 ALA 16 10.127 -62.679 2.296 146 3HB ALA 16 HB2 ALA 16 10.229 -63.486 3.855 147 H MET 17 HN MET 17 7.510 -60.719 3.618 148 HA MET 17 HA MET 17 7.685 -58.995 1.358 149 1HB MET 17 HB1 MET 17 5.696 -60.364 2.087 150 2HB MET 17 HB2 MET 17 5.442 -59.226 3.396 151 1HG MET 17 HG1 MET 17 5.104 -57.405 1.701 152 2HG MET 17 HG2 MET 17 5.331 -58.583 0.426 153 1HE MET 17 HE2 MET 17 2.830 -56.619 2.266 154 2HE MET 17 HE3 MET 17 1.533 -57.707 2.722 155 3HE MET 17 HE1 MET 17 3.045 -57.757 3.614 156 H LEU 18 HN LEU 18 8.021 -58.356 4.772 157 HA LEU 18 HA LEU 18 7.457 -55.500 4.496 158 1HB LEU 18 HB1 LEU 18 8.123 -57.095 6.982 159 2HB LEU 18 HB2 LEU 18 7.555 -55.436 6.929 160 HG LEU 18 HG LEU 18 5.965 -57.840 5.962 161 1HD1 LEU 18 HD13 LEU 18 6.217 -57.864 8.387 162 2HD1 LEU 18 HD11 LEU 18 5.660 -56.202 8.479 163 3HD1 LEU 18 HD12 LEU 18 4.560 -57.468 7.945 164 1HD2 LEU 18 HD23 LEU 18 5.109 -54.951 6.287 165 2HD2 LEU 18 HD21 LEU 18 5.315 -55.790 4.755 166 3HD2 LEU 18 HD22 LEU 18 4.043 -56.290 5.864 167 H LYS 19 HN LYS 19 10.373 -57.418 5.650 168 HA LYS 19 HA LYS 19 12.089 -55.269 5.117 169 1HB LYS 19 HB1 LYS 19 13.894 -56.831 4.981 170 2HB LYS 19 HB2 LYS 19 12.798 -57.352 6.233 171 1HG LYS 19 HG1 LYS 19 13.175 -59.387 5.298 172 2HG LYS 19 HG2 LYS 19 11.863 -58.906 4.247 173 1HD LYS 19 HD1 LYS 19 13.527 -58.130 2.553 174 2HD LYS 19 HD2 LYS 19 14.818 -58.632 3.616 175 1HE LYS 19 HE1 LYS 19 13.930 -60.978 3.481 176 2HE LYS 19 HE2 LYS 19 12.734 -60.401 2.313 177 1HZ LYS 19 HZ3 LYS 19 15.676 -60.094 2.070 178 2HZ LYS 19 HZ1 LYS 19 14.752 -61.222 1.205 179 3HZ LYS 19 HZ2 LYS 19 14.532 -59.559 0.946 180 H LYS 20 HN LYS 20 10.679 -57.503 2.617 181 HA LYS 20 HA LYS 20 12.103 -56.303 0.482 182 1HB LYS 20 HB1 LYS 20 10.644 -58.484 0.613 183 2HB LYS 20 HB2 LYS 20 9.328 -57.435 0.154 184 1HG LYS 20 HG1 LYS 20 11.695 -57.066 -1.563 185 2HG LYS 20 HG2 LYS 20 11.137 -58.718 -1.553 186 1HD LYS 20 HD1 LYS 20 9.104 -58.228 -2.536 187 2HD LYS 20 HD2 LYS 20 9.074 -56.576 -1.953 188 1HE LYS 20 HE1 LYS 20 11.053 -57.519 -4.046 189 2HE LYS 20 HE2 LYS 20 9.461 -56.871 -4.448 190 1HZ LYS 20 HZ1 LYS 20 9.947 -54.886 -3.116 191 2HZ LYS 20 HZ2 LYS 20 11.481 -55.475 -2.762 192 3HZ LYS 20 HZ3 LYS 20 11.116 -54.987 -4.377 193 H CYS 21 HN CYS 21 8.910 -55.306 1.944 194 HA CYS 21 HA CYS 21 8.484 -52.980 0.501 195 1HB CYS 21 HB1 CYS 21 7.213 -54.158 2.464 196 2HB CYS 21 HB2 CYS 21 8.120 -53.076 3.493 197 H CYS 22 HN CYS 22 10.619 -53.197 3.443 198 HA CYS 22 HA CYS 22 12.163 -50.831 3.205 199 1HB CYS 22 HB1 CYS 22 12.410 -52.880 4.774 200 2HB CYS 22 HB2 CYS 22 13.681 -53.219 3.666 201 OH TYR 23 OH TYR 23 17.758 -56.463 3.522 202 H TYR 23 HN TYR 23 12.799 -53.669 1.296 203 HA TYR 23 HA TYR 23 14.766 -52.189 -0.125 204 1HB TYR 23 HB1 TYR 23 13.592 -54.860 -0.696 205 2HB TYR 23 HB2 TYR 23 15.068 -54.203 -1.380 206 HD1 TYR 23 HD1 TYR 23 15.338 -56.596 -0.225 207 HD2 TYR 23 HD2 TYR 23 15.088 -53.051 2.248 208 HE1 TYR 23 HE1 TYR 23 16.923 -57.576 1.393 209 HE2 TYR 23 HE2 TYR 23 16.745 -54.023 3.687 210 HH TYR 23 HH TYR 23 18.015 -55.808 4.178 211 H ASP 24 HN ASP 24 11.363 -52.762 -1.058 212 HA ASP 24 HA ASP 24 11.398 -51.154 -3.397 213 1HB ASP 24 HB1 ASP 24 9.225 -51.614 -1.354 214 2HB ASP 24 HB2 ASP 24 8.991 -50.542 -2.726 215 H GLY 25 HN GLY 25 11.250 -49.978 -0.021 216 1HA GLY 25 HA1 GLY 25 11.316 -47.201 -0.700 217 2HA GLY 25 HA2 GLY 25 11.876 -47.887 0.806 218 H ALA 26 HN ALA 26 13.960 -49.512 -0.260 219 HA ALA 26 HA ALA 26 16.085 -47.654 -0.584 220 1HB ALA 26 HB1 ALA 26 16.427 -49.808 0.499 221 2HB ALA 26 HB2 ALA 26 16.097 -50.649 -1.016 222 3HB ALA 26 HB3 ALA 26 17.526 -49.634 -0.864 223 OH TYR 27 OH TYR 27 11.446 -54.055 -5.382 224 H TYR 27 HN TYR 27 14.846 -49.942 -3.200 225 HA TYR 27 HA TYR 27 16.549 -48.485 -5.048 226 1HB TYR 27 HB1 TYR 27 15.811 -50.016 -6.815 227 2HB TYR 27 HB2 TYR 27 16.615 -50.756 -5.458 228 HD1 TYR 27 HD1 TYR 27 15.752 -52.856 -4.881 229 HD2 TYR 27 HD2 TYR 27 13.030 -49.986 -6.419 230 HE1 TYR 27 HE1 TYR 27 13.929 -54.507 -4.767 231 HE2 TYR 27 HE2 TYR 27 11.215 -51.616 -6.255 232 HH TYR 27 HH TYR 27 10.624 -53.587 -5.620 233 NH1 ARG 28 NH1 ARG 28 7.264 -42.983 -4.117 234 NH2 ARG 28 NH2 ARG 28 7.562 -45.157 -4.277 235 H ARG 28 HN ARG 28 15.004 -46.537 -4.167 236 HA ARG 28 HA ARG 28 12.762 -46.231 -6.092 237 1HB ARG 28 HB1 ARG 28 12.062 -46.672 -3.774 238 2HB ARG 28 HB2 ARG 28 12.930 -45.252 -3.232 239 1HG ARG 28 HG1 ARG 28 11.404 -43.809 -4.587 240 2HG ARG 28 HG2 ARG 28 10.557 -45.238 -5.147 241 1HD ARG 28 HD1 ARG 28 9.816 -45.728 -2.864 242 2HD ARG 28 HD2 ARG 28 10.798 -44.421 -2.240 243 HE ARG 28 HE ARG 28 9.240 -42.827 -3.135 244 1HH1 ARG 28 HH12 ARG 28 7.674 -42.097 -3.840 245 2HH1 ARG 28 HH11 ARG 28 6.367 -43.064 -4.518 246 1HH2 ARG 28 HH22 ARG 28 8.162 -45.927 -4.125 247 2HH2 ARG 28 HH21 ARG 28 6.666 -45.240 -4.685 248 H ASN 29 HN ASN 29 12.930 -44.577 -7.492 249 HA ASN 29 HA ASN 29 14.427 -42.177 -6.724 250 1HB ASN 29 HB1 ASN 29 13.645 -43.211 -9.423 251 2HB ASN 29 HB2 ASN 29 14.120 -41.533 -9.181 252 1HD2 ASN 29 HD21 ASN 29 17.063 -44.085 -9.515 253 2HD2 ASN 29 HD22 ASN 29 15.550 -44.138 -10.364 254 H ASP 30 HN ASP 30 12.847 -41.732 -5.191 255 HA ASP 30 HA ASP 30 10.322 -40.564 -5.874 256 1HB ASP 30 HB1 ASP 30 11.284 -41.497 -3.573 257 2HB ASP 30 HB2 ASP 30 11.867 -39.857 -3.358 258 H ASP 31 HN ASP 31 13.513 -39.222 -5.285 259 HA ASP 31 HA ASP 31 14.556 -37.310 -5.650 260 1HB ASP 31 HB1 ASP 31 12.622 -37.043 -7.928 261 2HB ASP 31 HB2 ASP 31 14.023 -36.001 -7.690 262 H GLU 32 HN GLU 32 11.109 -36.471 -5.435 263 HA GLU 32 HA GLU 32 11.708 -34.126 -3.848 264 1HB GLU 32 HB1 GLU 32 9.286 -34.054 -3.378 265 2HB GLU 32 HB2 GLU 32 9.689 -34.124 -5.075 266 1HG GLU 32 HG1 GLU 32 9.097 -36.545 -5.142 267 2HG GLU 32 HG2 GLU 32 8.681 -36.499 -3.442 268 H THR 33 HN THR 33 10.094 -34.376 -1.506 269 HA THR 33 HA THR 33 11.971 -35.613 0.222 270 HB THR 33 HB THR 33 9.274 -34.450 0.964 271 HG1 THR 33 HG1 THR 33 10.601 -32.554 1.335 272 1HG2 THR 33 HG21 THR 33 10.473 -35.645 2.847 273 2HG2 THR 33 HG22 THR 33 11.880 -34.631 2.520 274 3HG2 THR 33 HG23 THR 33 10.384 -33.906 3.091 275 H CYS 34 HN CYS 34 12.107 -37.723 0.370 276 HA CYS 34 HA CYS 34 10.217 -39.639 -0.381 277 1HB CYS 34 HB1 CYS 34 12.899 -39.578 0.146 278 2HB CYS 34 HB2 CYS 34 12.356 -40.444 1.552 279 H GLU 35 HN GLU 35 11.099 -38.647 2.901 280 HA GLU 35 HA GLU 35 9.372 -40.481 4.242 281 1HB GLU 35 HB1 GLU 35 10.702 -37.976 5.307 282 2HB GLU 35 HB2 GLU 35 9.863 -39.169 6.285 283 1HG GLU 35 HG1 GLU 35 11.509 -40.922 5.300 284 2HG GLU 35 HG2 GLU 35 12.423 -39.563 4.678 285 H GLU 36 HN GLU 36 8.676 -37.342 2.898 286 HA GLU 36 HA GLU 36 6.155 -36.932 4.265 287 1HB GLU 36 HB1 GLU 36 7.565 -35.135 3.179 288 2HB GLU 36 HB2 GLU 36 7.147 -35.800 1.614 289 1HG GLU 36 HG1 GLU 36 4.627 -35.401 2.506 290 2HG GLU 36 HG2 GLU 36 5.428 -34.284 3.594 291 NH1 ARG 37 NH1 ARG 37 3.717 -36.185 -4.765 292 NH2 ARG 37 NH2 ARG 37 2.699 -38.085 -4.334 293 H ARG 37 HN ARG 37 7.077 -38.047 1.008 294 HA ARG 37 HA ARG 37 4.606 -39.066 0.175 295 1HB ARG 37 HB1 ARG 37 7.469 -39.757 -0.506 296 2HB ARG 37 HB2 ARG 37 6.153 -40.671 -1.210 297 1HG ARG 37 HG1 ARG 37 6.232 -37.647 -1.388 298 2HG ARG 37 HG2 ARG 37 7.095 -38.654 -2.534 299 1HD ARG 37 HD1 ARG 37 5.094 -39.649 -3.342 300 2HD ARG 37 HD2 ARG 37 4.130 -39.012 -2.007 301 HE ARG 37 HE ARG 37 5.448 -36.872 -3.496 302 1HH1 ARG 37 HH12 ARG 37 4.530 -35.618 -4.624 303 2HH1 ARG 37 HH11 ARG 37 2.961 -35.900 -5.334 304 1HH2 ARG 37 HH22 ARG 37 2.714 -38.967 -3.887 305 2HH2 ARG 37 HH21 ARG 37 1.946 -37.788 -4.902 306 H ALA 38 HN ALA 38 7.248 -41.014 1.761 307 HA ALA 38 HA ALA 38 5.358 -43.045 2.437 308 1HB ALA 38 HB3 ALA 38 8.229 -42.637 3.168 309 2HB ALA 38 HB1 ALA 38 7.244 -44.073 3.539 310 3HB ALA 38 HB2 ALA 38 7.512 -43.583 1.841 311 H ALA 39 HN ALA 39 5.612 -40.030 4.201 312 HA ALA 39 HA ALA 39 4.037 -41.243 6.246 313 1HB ALA 39 HB2 ALA 39 4.844 -38.943 6.440 314 2HB ALA 39 HB3 ALA 39 3.860 -38.460 5.062 315 3HB ALA 39 HB1 ALA 39 3.086 -38.983 6.558 316 NH1 ARG 40 NH1 ARG 40 3.770 -35.910 -1.083 317 NH2 ARG 40 NH2 ARG 40 2.495 -35.642 0.628 318 H ARG 40 HN ARG 40 3.001 -39.885 3.075 319 HA ARG 40 HA ARG 40 0.321 -40.887 3.538 320 1HB ARG 40 HB1 ARG 40 -0.261 -40.009 1.293 321 2HB ARG 40 HB2 ARG 40 0.290 -38.857 2.485 322 1HG ARG 40 HG1 ARG 40 2.454 -38.662 1.387 323 2HG ARG 40 HG2 ARG 40 2.040 -39.925 0.247 324 1HD ARG 40 HD1 ARG 40 0.379 -38.549 -0.806 325 2HD ARG 40 HD2 ARG 40 0.444 -37.348 0.463 326 HE ARG 40 HE ARG 40 2.400 -37.654 -1.715 327 1HH1 ARG 40 HH12 ARG 40 4.057 -36.393 -1.907 328 2HH1 ARG 40 HH11 ARG 40 4.237 -35.090 -0.735 329 1HH2 ARG 40 HH22 ARG 40 1.742 -35.917 1.202 330 2HH2 ARG 40 HH21 ARG 40 3.073 -34.842 0.797 331 H ILE 41 HN ILE 41 2.951 -42.588 2.252 332 HA ILE 41 HA ILE 41 1.526 -44.429 0.681 333 HB ILE 41 HB ILE 41 4.313 -44.871 1.784 334 1HG1 ILE 41 HG11 ILE 41 2.993 -43.803 -0.793 335 2HG1 ILE 41 HG12 ILE 41 4.074 -43.034 0.369 336 1HG2 ILE 41 HG21 ILE 41 2.570 -46.478 -0.079 337 2HG2 ILE 41 HG22 ILE 41 4.337 -46.696 0.128 338 3HG2 ILE 41 HG23 ILE 41 3.234 -46.996 1.478 339 1HD1 ILE 41 HD13 ILE 41 5.212 -44.981 -1.460 340 2HD1 ILE 41 HD11 ILE 41 5.035 -43.260 -1.819 341 3HD1 ILE 41 HD12 ILE 41 5.956 -43.749 -0.397 342 H LYS 42 HN LYS 42 -0.035 -44.853 1.487 343 HA LYS 42 HA LYS 42 -0.749 -45.743 4.146 344 1HB LYS 42 HB1 LYS 42 -3.054 -45.528 3.364 345 2HB LYS 42 HB2 LYS 42 -2.089 -44.122 2.972 346 1HG LYS 42 HG1 LYS 42 -1.840 -45.149 0.601 347 2HG LYS 42 HG2 LYS 42 -3.065 -46.297 1.092 348 1HD LYS 42 HD1 LYS 42 -4.464 -44.793 0.166 349 2HD LYS 42 HD2 LYS 42 -4.372 -44.031 1.730 350 1HE LYS 42 HE1 LYS 42 -2.704 -43.263 -0.681 351 2HE LYS 42 HE2 LYS 42 -4.180 -42.456 -0.184 352 1HZ LYS 42 HZ2 LYS 42 -3.022 -42.127 2.022 353 2HZ LYS 42 HZ3 LYS 42 -1.537 -42.513 1.258 354 3HZ LYS 42 HZ1 LYS 42 -2.462 -41.200 0.725 355 H ILE 43 HN ILE 43 0.622 -47.730 2.193 356 HA ILE 43 HA ILE 43 -1.283 -49.768 1.597 357 HB ILE 43 HB ILE 43 0.717 -49.334 0.242 358 1HG1 ILE 43 HG11 ILE 43 0.706 -52.218 1.147 359 2HG1 ILE 43 HG12 ILE 43 -0.605 -51.524 0.223 360 1HG2 ILE 43 HG23 ILE 43 2.429 -49.044 2.017 361 2HG2 ILE 43 HG21 ILE 43 2.299 -50.749 2.422 362 3HG2 ILE 43 HG22 ILE 43 2.924 -50.260 0.862 363 1HD1 ILE 43 HD12 ILE 43 0.971 -51.009 -1.633 364 2HD1 ILE 43 HD13 ILE 43 2.285 -51.745 -0.718 365 3HD1 ILE 43 HD11 ILE 43 0.932 -52.727 -1.252 366 H GLY 44 HN GLY 44 0.985 -49.559 4.333 367 1HA GLY 44 HA1 GLY 44 -0.703 -51.123 5.991 368 2HA GLY 44 HA2 GLY 44 0.578 -52.146 5.396 369 HA PRO 45 HA PRO 45 1.767 -48.849 9.005 370 1HB PRO 45 HB1 PRO 45 1.301 -51.245 10.809 371 2HB PRO 45 HB2 PRO 45 1.195 -49.514 11.179 372 1HG PRO 45 HG1 PRO 45 -1.043 -50.797 10.668 373 2HG PRO 45 HG2 PRO 45 -0.774 -49.248 9.841 374 1HD PRO 45 HD1 PRO 45 -0.344 -52.060 8.776 375 2HD PRO 45 HD2 PRO 45 -1.181 -50.684 8.025 376 H LYS 46 HN LYS 46 2.768 -52.272 9.437 377 HA LYS 46 HA LYS 46 5.464 -51.679 10.124 378 1HB LYS 46 HB1 LYS 46 4.186 -54.241 9.144 379 2HB LYS 46 HB2 LYS 46 5.852 -54.111 9.671 380 1HG LYS 46 HG1 LYS 46 5.109 -53.430 11.927 381 2HG LYS 46 HG2 LYS 46 3.436 -53.513 11.417 382 1HD LYS 46 HD1 LYS 46 3.832 -55.530 12.590 383 2HD LYS 46 HD2 LYS 46 3.822 -55.978 10.898 384 1HE LYS 46 HE1 LYS 46 6.336 -55.967 10.921 385 2HE LYS 46 HE2 LYS 46 6.280 -55.591 12.638 386 1HZ LYS 46 HZ2 LYS 46 5.035 -57.965 11.353 387 2HZ LYS 46 HZ3 LYS 46 6.466 -57.989 12.242 388 3HZ LYS 46 HZ1 LYS 46 5.002 -57.610 13.001 389 H CYS 47 HN CYS 47 3.908 -52.161 7.059 390 HA CYS 47 HA CYS 47 6.236 -52.503 5.409 391 1HB CYS 47 HB1 CYS 47 3.661 -53.003 4.960 392 2HB CYS 47 HB2 CYS 47 3.634 -51.359 4.406 393 H VAL 48 HN VAL 48 4.040 -49.448 5.491 394 HA VAL 48 HA VAL 48 5.817 -47.765 4.786 395 HB VAL 48 HB VAL 48 4.581 -46.555 7.185 396 1HG1 VAL 48 HG12 VAL 48 5.507 -45.357 5.077 397 2HG1 VAL 48 HG13 VAL 48 4.260 -46.268 4.198 398 3HG1 VAL 48 HG11 VAL 48 3.790 -45.008 5.345 399 1HG2 VAL 48 HG23 VAL 48 2.953 -48.138 7.003 400 2HG2 VAL 48 HG21 VAL 48 2.339 -46.533 6.566 401 3HG2 VAL 48 HG22 VAL 48 2.641 -47.732 5.306 402 H LYS 49 HN LYS 49 5.823 -48.828 8.244 403 HA LYS 49 HA LYS 49 7.939 -47.271 9.185 404 1HB LYS 49 HB1 LYS 49 6.563 -48.892 10.499 405 2HB LYS 49 HB2 LYS 49 7.471 -50.206 9.788 406 1HG LYS 49 HG1 LYS 49 9.569 -48.951 10.841 407 2HG LYS 49 HG2 LYS 49 8.350 -48.167 11.830 408 1HD LYS 49 HD1 LYS 49 7.539 -50.350 12.614 409 2HD LYS 49 HD2 LYS 49 8.666 -51.174 11.541 410 1HE LYS 49 HE1 LYS 49 10.507 -49.854 12.785 411 2HE LYS 49 HE2 LYS 49 9.270 -49.545 14.007 412 1HZ LYS 49 HZ1 LYS 49 8.880 -51.958 14.096 413 2HZ LYS 49 HZ2 LYS 49 10.110 -52.236 12.930 414 3HZ LYS 49 HZ3 LYS 49 10.491 -51.601 14.483 415 H ALA 50 HN ALA 50 8.470 -50.555 7.847 416 HA ALA 50 HA ALA 50 11.315 -50.517 7.583 417 1HB ALA 50 HB1 ALA 50 9.845 -52.500 7.472 418 2HB ALA 50 HB2 ALA 50 9.195 -51.952 5.943 419 3HB ALA 50 HB3 ALA 50 10.885 -52.426 6.069 420 H PHE 51 HN PHE 51 8.822 -49.793 5.135 421 HA PHE 51 HA PHE 51 10.476 -49.008 3.002 422 1HB PHE 51 HB1 PHE 51 8.152 -49.698 2.865 423 2HB PHE 51 HB2 PHE 51 7.639 -48.315 3.780 424 HD1 PHE 51 HD1 PHE 51 8.976 -49.421 0.527 425 HD2 PHE 51 HD2 PHE 51 7.324 -46.113 2.671 426 HE1 PHE 51 HE1 PHE 51 8.425 -48.321 -1.586 427 HE2 PHE 51 HE2 PHE 51 6.535 -45.184 0.656 428 HZ PHE 51 HZ PHE 51 7.220 -46.161 -1.557 429 H LYS 52 HN LYS 52 8.945 -46.847 5.508 430 HA LYS 52 HA LYS 52 9.813 -44.463 4.352 431 1HB LYS 52 HB1 LYS 52 8.066 -44.694 6.173 432 2HB LYS 52 HB2 LYS 52 9.345 -44.957 7.327 433 1HG LYS 52 HG1 LYS 52 10.226 -42.602 6.436 434 2HG LYS 52 HG2 LYS 52 8.574 -42.431 5.884 435 1HD LYS 52 HD1 LYS 52 9.415 -42.968 8.740 436 2HD LYS 52 HD2 LYS 52 9.028 -41.396 8.104 437 1HE LYS 52 HE1 LYS 52 7.082 -43.701 8.388 438 2HE LYS 52 HE2 LYS 52 7.222 -42.324 9.471 439 1HZ LYS 52 HZ1 LYS 52 6.856 -40.930 7.383 440 2HZ LYS 52 HZ2 LYS 52 6.300 -42.348 6.616 441 3HZ LYS 52 HZ3 LYS 52 5.516 -41.766 7.999 442 H ASP 53 HN ASP 53 11.309 -46.560 6.899 443 HA ASP 53 HA ASP 53 13.570 -44.846 7.294 444 1HB ASP 53 HB1 ASP 53 12.931 -47.677 8.100 445 2HB ASP 53 HB2 ASP 53 14.515 -46.983 8.413 446 H CYS 54 HN CYS 54 13.338 -47.819 5.237 447 HA CYS 54 HA CYS 54 15.827 -47.393 3.977 448 1HB CYS 54 HB1 CYS 54 13.360 -48.879 3.271 449 2HB CYS 54 HB2 CYS 54 14.586 -48.672 2.056 450 H CYS 55 HN CYS 55 12.657 -45.934 3.021 451 HA CYS 55 HA CYS 55 13.519 -44.459 0.801 452 1HB CYS 55 HB1 CYS 55 11.195 -44.691 2.196 453 2HB CYS 55 HB2 CYS 55 11.674 -43.112 2.742 454 OH TYR 56 OH TYR 56 19.581 -40.772 9.058 455 H TYR 56 HN TYR 56 13.662 -43.484 4.254 456 HA TYR 56 HA TYR 56 15.194 -41.166 4.067 457 1HB TYR 56 HB1 TYR 56 14.275 -41.789 6.147 458 2HB TYR 56 HB2 TYR 56 14.967 -43.386 6.073 459 HD1 TYR 56 HD1 TYR 56 16.995 -43.866 7.112 460 HD2 TYR 56 HD2 TYR 56 15.957 -39.784 6.555 461 HE1 TYR 56 HE1 TYR 56 18.880 -43.187 8.526 462 HE2 TYR 56 HE2 TYR 56 17.862 -39.114 7.951 463 HH TYR 56 HH TYR 56 19.573 -39.826 9.216 464 H ILE 57 HN ILE 57 16.612 -44.507 4.308 465 HA ILE 57 HA ILE 57 19.244 -43.769 3.664 466 HB ILE 57 HB ILE 57 17.811 -46.299 2.847 467 1HG1 ILE 57 HG11 ILE 57 17.704 -46.244 5.166 468 2HG1 ILE 57 HG12 ILE 57 19.006 -47.348 4.796 469 1HG2 ILE 57 HG21 ILE 57 20.812 -45.881 2.912 470 2HG2 ILE 57 HG22 ILE 57 20.012 -47.438 2.733 471 3HG2 ILE 57 HG23 ILE 57 19.829 -46.215 1.493 472 1HD1 ILE 57 HD12 ILE 57 20.645 -45.506 5.289 473 2HD1 ILE 57 HD13 ILE 57 19.273 -44.483 5.723 474 3HD1 ILE 57 HD11 ILE 57 19.636 -45.916 6.681 475 H ALA 58 HN ALA 58 16.807 -44.656 1.316 476 HA ALA 58 HA ALA 58 18.191 -44.100 -1.085 477 1HB ALA 58 HB1 ALA 58 15.999 -45.158 -1.081 478 2HB ALA 58 HB2 ALA 58 15.251 -43.654 -0.561 479 3HB ALA 58 HB3 ALA 58 16.012 -43.761 -2.146 480 H ASN 59 HN ASN 59 16.199 -41.750 0.755 481 HA ASN 59 HA ASN 59 16.923 -39.437 -0.714 482 1HB ASN 59 HB1 ASN 59 15.051 -39.910 1.116 483 2HB ASN 59 HB2 ASN 59 16.250 -39.308 2.230 484 1HD2 ASN 59 HD21 ASN 59 16.017 -36.007 0.499 485 2HD2 ASN 59 HD22 ASN 59 17.351 -37.120 0.558 486 H GLN 60 HN GLN 60 18.478 -40.808 2.234 487 HA GLN 60 HA GLN 60 20.496 -38.852 2.509 488 1HB GLN 60 HB1 GLN 60 19.769 -40.739 4.114 489 2HB GLN 60 HB2 GLN 60 20.791 -41.795 3.176 490 1HG GLN 60 HG1 GLN 60 22.125 -41.140 5.049 491 2HG GLN 60 HG2 GLN 60 22.742 -40.192 3.710 492 1HE2 GLN 60 HE21 GLN 60 20.798 -38.233 6.671 493 2HE2 GLN 60 HE22 GLN 60 20.553 -39.951 6.553 494 H VAL 61 HN VAL 61 20.679 -41.979 0.699 495 HA VAL 61 HA VAL 61 23.266 -41.538 -0.390 496 HB VAL 61 HB VAL 61 20.972 -43.257 -1.362 497 1HG1 VAL 61 HG11 VAL 61 23.862 -43.368 -2.311 498 2HG1 VAL 61 HG12 VAL 61 22.612 -44.547 -2.695 499 3HG1 VAL 61 HG13 VAL 61 22.482 -42.908 -3.302 500 1HG2 VAL 61 HG22 VAL 61 23.523 -43.946 0.147 501 2HG2 VAL 61 HG23 VAL 61 21.891 -43.928 0.813 502 3HG2 VAL 61 HG21 VAL 61 22.325 -45.111 -0.411 503 NH1 ARG 62 NH1 ARG 62 15.754 -41.462 -4.313 504 NH2 ARG 62 NH2 ARG 62 16.300 -40.422 -6.189 505 H ARG 62 HN ARG 62 20.075 -40.621 -1.721 506 HA ARG 62 HA ARG 62 20.923 -39.371 -4.078 507 1HB ARG 62 HB1 ARG 62 18.558 -39.875 -3.050 508 2HB ARG 62 HB2 ARG 62 18.690 -38.271 -2.368 509 1HG ARG 62 HG1 ARG 62 19.007 -37.373 -4.702 510 2HG ARG 62 HG2 ARG 62 18.775 -39.002 -5.312 511 1HD ARG 62 HD1 ARG 62 16.737 -37.313 -3.838 512 2HD ARG 62 HD2 ARG 62 16.704 -37.780 -5.527 513 HE ARG 62 HE ARG 62 15.853 -39.419 -3.300 514 1HH1 ARG 62 HH12 ARG 62 15.674 -41.417 -3.331 515 2HH1 ARG 62 HH11 ARG 62 15.547 -42.323 -4.803 516 1HH2 ARG 62 HH22 ARG 62 16.449 -39.547 -6.654 517 2HH2 ARG 62 HH21 ARG 62 16.283 -41.281 -6.722 518 H ALA 63 HN ALA 63 20.715 -37.904 -0.808 519 HA ALA 63 HA ALA 63 21.867 -35.403 -1.632 520 1HB ALA 63 HB3 ALA 63 20.371 -35.555 0.298 521 2HB ALA 63 HB1 ALA 63 21.498 -36.624 1.126 522 3HB ALA 63 HB2 ALA 63 21.943 -34.949 0.809 523 H GLU 64 HN GLU 64 23.328 -38.175 0.212 524 HA GLU 64 HA GLU 64 25.916 -36.861 0.210 525 1HB GLU 64 HB1 GLU 64 24.978 -38.247 2.098 526 2HB GLU 64 HB2 GLU 64 25.198 -39.662 1.095 527 1HG GLU 64 HG1 GLU 64 27.065 -39.551 2.640 528 2HG GLU 64 HG2 GLU 64 27.691 -39.190 1.044 529 H GLN 65 HN GLN 65 25.856 -36.696 -2.155 530 HA GLN 65 HA GLN 65 27.044 -39.022 -3.529 531 1HB GLN 65 HB1 GLN 65 26.051 -36.345 -4.558 532 2HB GLN 65 HB2 GLN 65 26.837 -37.530 -5.576 533 1HG GLN 65 HG1 GLN 65 24.233 -38.066 -4.079 534 2HG GLN 65 HG2 GLN 65 24.329 -37.547 -5.748 535 1HE2 GLN 65 HE21 GLN 65 24.707 -41.423 -5.053 536 2HE2 GLN 65 HE22 GLN 65 24.083 -40.342 -3.831 Start of MODEL 36 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 20.107 -37.370 -9.594 2 2H MET 1 HT2 MET 1 20.166 -37.623 -7.905 3 3H MET 1 HT1 MET 1 21.363 -36.688 -8.673 4 HA MET 1 HA MET 1 22.178 -38.585 -9.863 5 1HB MET 1 HB1 MET 1 22.993 -37.896 -7.621 6 2HB MET 1 HB2 MET 1 21.909 -39.050 -6.877 7 1HG MET 1 HG1 MET 1 23.138 -40.910 -7.988 8 2HG MET 1 HG2 MET 1 24.188 -39.745 -8.772 9 1HE MET 1 HE2 MET 1 25.568 -37.915 -7.312 10 2HE MET 1 HE3 MET 1 26.648 -38.647 -6.142 11 3HE MET 1 HE1 MET 1 26.578 -39.302 -7.773 12 H LEU 2 HN LEU 2 19.393 -39.568 -7.828 13 HA LEU 2 HA LEU 2 19.628 -42.332 -8.416 14 1HB LEU 2 HB1 LEU 2 17.653 -40.640 -6.953 15 2HB LEU 2 HB2 LEU 2 17.194 -42.260 -7.366 16 HG LEU 2 HG LEU 2 17.933 -42.113 -5.085 17 1HD1 LEU 2 HD13 LEU 2 18.296 -44.244 -6.187 18 2HD1 LEU 2 HD11 LEU 2 19.895 -43.736 -6.725 19 3HD1 LEU 2 HD12 LEU 2 19.568 -43.940 -5.013 20 1HD2 LEU 2 HD21 LEU 2 19.533 -40.280 -5.160 21 2HD2 LEU 2 HD22 LEU 2 20.249 -41.702 -4.413 22 3HD2 LEU 2 HD23 LEU 2 20.667 -41.277 -6.065 23 H GLN 3 HN GLN 3 19.760 -41.806 -10.735 24 HA GLN 3 HA GLN 3 17.595 -41.712 -12.506 25 1HB GLN 3 HB1 GLN 3 20.276 -43.113 -12.694 26 2HB GLN 3 HB2 GLN 3 19.181 -42.942 -14.052 27 1HG GLN 3 HG1 GLN 3 19.595 -40.699 -14.330 28 2HG GLN 3 HG2 GLN 3 19.824 -40.385 -12.621 29 1HE2 GLN 3 HE21 GLN 3 23.306 -41.081 -12.766 30 2HE2 GLN 3 HE22 GLN 3 21.945 -41.023 -11.674 31 H LYS 4 HN LYS 4 18.793 -44.476 -10.732 32 HA LYS 4 HA LYS 4 17.223 -46.543 -11.800 33 1HB LYS 4 HB1 LYS 4 18.166 -46.115 -8.937 34 2HB LYS 4 HB2 LYS 4 17.505 -47.612 -9.548 35 1HG LYS 4 HG1 LYS 4 20.043 -46.353 -10.639 36 2HG LYS 4 HG2 LYS 4 20.009 -47.539 -9.354 37 1HD LYS 4 HD1 LYS 4 18.914 -49.160 -10.914 38 2HD LYS 4 HD2 LYS 4 19.008 -47.971 -12.193 39 1HE LYS 4 HE1 LYS 4 20.809 -49.456 -12.554 40 2HE LYS 4 HE2 LYS 4 21.510 -47.967 -11.936 41 1HZ LYS 4 HZ2 LYS 4 20.851 -50.358 -10.307 42 2HZ LYS 4 HZ3 LYS 4 22.410 -49.932 -10.811 43 3HZ LYS 4 HZ1 LYS 4 21.566 -48.941 -9.731 44 H LYS 5 HN LYS 5 16.368 -44.347 -9.082 45 HA LYS 5 HA LYS 5 13.714 -45.331 -8.784 46 1HB LYS 5 HB1 LYS 5 15.036 -42.786 -7.881 47 2HB LYS 5 HB2 LYS 5 13.350 -43.101 -7.574 48 1HG LYS 5 HG1 LYS 5 15.628 -44.850 -6.610 49 2HG LYS 5 HG2 LYS 5 14.851 -43.610 -5.657 50 1HD LYS 5 HD1 LYS 5 13.486 -46.123 -6.676 51 2HD LYS 5 HD2 LYS 5 14.123 -45.895 -5.074 52 1HE LYS 5 HE1 LYS 5 11.944 -45.465 -4.620 53 2HE LYS 5 HE2 LYS 5 12.438 -43.832 -5.042 54 1HZ LYS 5 HZ3 LYS 5 11.279 -45.802 -7.022 55 2HZ LYS 5 HZ1 LYS 5 10.333 -44.640 -6.232 56 3HZ LYS 5 HZ2 LYS 5 11.541 -44.091 -7.247 57 H ILE 6 HN ILE 6 14.959 -42.545 -10.673 58 HA ILE 6 HA ILE 6 12.547 -41.715 -11.822 59 HB ILE 6 HB ILE 6 15.315 -41.869 -13.084 60 1HG1 ILE 6 HG11 ILE 6 13.749 -39.495 -12.059 61 2HG1 ILE 6 HG12 ILE 6 15.062 -40.298 -11.228 62 1HG2 ILE 6 HG21 ILE 6 12.902 -40.536 -14.377 63 2HG2 ILE 6 HG22 ILE 6 14.554 -40.382 -14.949 64 3HG2 ILE 6 HG23 ILE 6 13.771 -41.929 -15.003 65 1HD1 ILE 6 HD13 ILE 6 16.649 -39.568 -12.990 66 2HD1 ILE 6 HD11 ILE 6 15.346 -38.719 -13.816 67 3HD1 ILE 6 HD12 ILE 6 15.844 -38.207 -12.221 68 H GLU 7 HN GLU 7 14.657 -44.310 -13.209 69 HA GLU 7 HA GLU 7 12.583 -45.025 -15.037 70 1HB GLU 7 HB1 GLU 7 15.306 -45.745 -14.786 71 2HB GLU 7 HB2 GLU 7 14.403 -47.242 -14.746 72 1HG GLU 7 HG1 GLU 7 14.174 -45.111 -16.929 73 2HG GLU 7 HG2 GLU 7 15.047 -46.620 -17.068 74 H GLU 8 HN GLU 8 13.329 -46.438 -11.795 75 HA GLU 8 HA GLU 8 11.408 -48.502 -12.036 76 1HB GLU 8 HB1 GLU 8 13.215 -48.499 -10.429 77 2HB GLU 8 HB2 GLU 8 12.562 -47.107 -9.620 78 1HG GLU 8 HG1 GLU 8 10.954 -49.671 -9.691 79 2HG GLU 8 HG2 GLU 8 12.273 -49.492 -8.556 80 H GLU 9 HN GLU 9 10.781 -45.135 -10.658 81 HA GLU 9 HA GLU 9 7.872 -45.814 -11.046 82 1HB GLU 9 HB1 GLU 9 9.280 -43.937 -9.086 83 2HB GLU 9 HB2 GLU 9 7.585 -43.726 -9.503 84 1HG GLU 9 HG1 GLU 9 7.059 -45.990 -8.653 85 2HG GLU 9 HG2 GLU 9 8.750 -46.254 -8.269 86 H ALA 10 HN ALA 10 10.016 -43.989 -13.045 87 HA ALA 10 HA ALA 10 7.452 -44.039 -14.287 88 1HB ALA 10 HB3 ALA 10 10.342 -44.617 -15.199 89 2HB ALA 10 HB1 ALA 10 9.045 -44.441 -16.341 90 3HB ALA 10 HB2 ALA 10 9.509 -43.069 -15.335 91 H ALA 11 HN ALA 11 9.701 -46.920 -14.324 92 HA ALA 11 HA ALA 11 7.868 -48.266 -15.986 93 1HB ALA 11 HB2 ALA 11 10.225 -49.328 -14.410 94 2HB ALA 11 HB3 ALA 11 9.375 -50.239 -15.666 95 3HB ALA 11 HB1 ALA 11 10.240 -48.759 -16.074 96 H LYS 12 HN LYS 12 8.196 -48.680 -12.409 97 HA LYS 12 HA LYS 12 6.635 -51.143 -12.556 98 1HB LYS 12 HB1 LYS 12 8.677 -50.780 -11.132 99 2HB LYS 12 HB2 LYS 12 7.717 -49.727 -10.124 100 1HG LYS 12 HG1 LYS 12 6.151 -51.728 -9.745 101 2HG LYS 12 HG2 LYS 12 7.328 -52.711 -10.592 102 1HD LYS 12 HD1 LYS 12 8.098 -53.090 -8.481 103 2HD LYS 12 HD2 LYS 12 8.978 -51.609 -8.762 104 1HE LYS 12 HE1 LYS 12 6.348 -51.833 -7.274 105 2HE LYS 12 HE2 LYS 12 7.934 -51.679 -6.535 106 1HZ LYS 12 HZ1 LYS 12 8.234 -49.495 -7.697 107 2HZ LYS 12 HZ2 LYS 12 6.654 -49.708 -8.337 108 3HZ LYS 12 HZ3 LYS 12 6.862 -49.518 -6.671 109 OH TYR 13 OH TYR 13 4.932 -43.830 -9.247 110 H TYR 13 HN TYR 13 5.101 -49.103 -13.526 111 HA TYR 13 HA TYR 13 2.767 -49.370 -11.770 112 1HB TYR 13 HB1 TYR 13 3.468 -47.363 -14.000 113 2HB TYR 13 HB2 TYR 13 1.974 -47.390 -13.091 114 HD1 TYR 13 HD1 TYR 13 2.274 -47.233 -10.461 115 HD2 TYR 13 HD2 TYR 13 5.231 -45.815 -13.248 116 HE1 TYR 13 HE1 TYR 13 3.020 -45.566 -8.829 117 HE2 TYR 13 HE2 TYR 13 5.802 -44.078 -11.647 118 HH TYR 13 HH TYR 13 4.510 -43.958 -8.396 119 H LYS 14 HN LYS 14 1.358 -48.668 -14.437 120 HA LYS 14 HA LYS 14 2.043 -50.953 -16.176 121 1HB LYS 14 HB1 LYS 14 -0.288 -49.031 -16.352 122 2HB LYS 14 HB2 LYS 14 0.107 -50.253 -17.547 123 1HG LYS 14 HG1 LYS 14 -0.185 -52.031 -15.829 124 2HG LYS 14 HG2 LYS 14 -0.597 -50.810 -14.636 125 1HD LYS 14 HD1 LYS 14 -2.561 -50.144 -15.990 126 2HD LYS 14 HD2 LYS 14 -2.143 -51.354 -17.195 127 1HE LYS 14 HE1 LYS 14 -2.420 -53.136 -15.494 128 2HE LYS 14 HE2 LYS 14 -2.861 -51.916 -14.298 129 1HZ LYS 14 HZ1 LYS 14 -4.678 -51.225 -15.731 130 2HZ LYS 14 HZ2 LYS 14 -4.254 -52.394 -16.874 131 3HZ LYS 14 HZ3 LYS 14 -4.832 -52.869 -15.354 132 OH TYR 15 OH TYR 15 4.510 -50.658 -23.214 133 H TYR 15 HN TYR 15 4.061 -49.406 -15.978 134 HA TYR 15 HA TYR 15 5.217 -47.507 -16.370 135 1HB TYR 15 HB1 TYR 15 6.598 -47.817 -18.222 136 2HB TYR 15 HB2 TYR 15 6.195 -49.347 -17.500 137 HD1 TYR 15 HD1 TYR 15 4.046 -50.593 -18.763 138 HD2 TYR 15 HD2 TYR 15 6.647 -47.739 -20.545 139 HE1 TYR 15 HE1 TYR 15 3.555 -51.509 -20.988 140 HE2 TYR 15 HE2 TYR 15 6.129 -48.653 -22.755 141 HH TYR 15 HH TYR 15 4.985 -50.181 -23.896 142 H ALA 16 HN ALA 16 3.018 -47.403 -19.207 143 HA ALA 16 HA ALA 16 4.664 -45.434 -20.365 144 1HB ALA 16 HB1 ALA 16 1.847 -46.282 -21.085 145 2HB ALA 16 HB2 ALA 16 2.911 -45.335 -22.123 146 3HB ALA 16 HB3 ALA 16 3.351 -46.977 -21.673 147 H MET 17 HN MET 17 1.325 -44.770 -19.253 148 HA MET 17 HA MET 17 1.504 -41.959 -19.856 149 1HB MET 17 HB1 MET 17 -0.580 -43.343 -19.950 150 2HB MET 17 HB2 MET 17 -0.553 -43.464 -18.202 151 1HG MET 17 HG1 MET 17 -0.820 -40.987 -18.039 152 2HG MET 17 HG2 MET 17 -0.827 -40.883 -19.787 153 1HE MET 17 HE3 MET 17 -2.788 -41.070 -16.673 154 2HE MET 17 HE1 MET 17 -4.297 -41.870 -17.052 155 3HE MET 17 HE2 MET 17 -2.849 -42.839 -16.809 156 H LEU 18 HN LEU 18 2.202 -43.867 -17.081 157 HA LEU 18 HA LEU 18 2.044 -41.662 -15.169 158 1HB LEU 18 HB1 LEU 18 2.675 -44.609 -14.751 159 2HB LEU 18 HB2 LEU 18 2.340 -43.432 -13.492 160 HG LEU 18 HG LEU 18 0.364 -44.237 -15.661 161 1HD1 LEU 18 HD13 LEU 18 0.448 -45.137 -12.791 162 2HD1 LEU 18 HD11 LEU 18 -0.889 -45.415 -13.908 163 3HD1 LEU 18 HD12 LEU 18 0.684 -46.121 -14.235 164 1HD2 LEU 18 HD21 LEU 18 -0.054 -42.547 -13.195 165 2HD2 LEU 18 HD22 LEU 18 -0.097 -42.002 -14.864 166 3HD2 LEU 18 HD23 LEU 18 -1.336 -43.101 -14.274 167 H LYS 19 HN LYS 19 4.834 -44.046 -15.828 168 HA LYS 19 HA LYS 19 6.834 -42.441 -15.770 169 1HB LYS 19 HB1 LYS 19 6.806 -44.633 -16.982 170 2HB LYS 19 HB2 LYS 19 5.744 -44.000 -18.195 171 1HG LYS 19 HG1 LYS 19 7.488 -42.940 -19.400 172 2HG LYS 19 HG2 LYS 19 8.627 -43.112 -18.078 173 1HD LYS 19 HD1 LYS 19 8.517 -45.594 -18.327 174 2HD LYS 19 HD2 LYS 19 7.373 -45.403 -19.634 175 1HE LYS 19 HE1 LYS 19 9.368 -45.867 -20.712 176 2HE LYS 19 HE2 LYS 19 9.214 -44.127 -20.861 177 1HZ LYS 19 HZ2 LYS 19 10.936 -45.473 -18.748 178 2HZ LYS 19 HZ3 LYS 19 11.446 -44.856 -20.218 179 3HZ LYS 19 HZ1 LYS 19 10.873 -43.804 -19.037 180 H LYS 20 HN LYS 20 4.593 -41.710 -18.608 181 HA LYS 20 HA LYS 20 5.983 -39.396 -19.396 182 1HB LYS 20 HB1 LYS 20 4.088 -40.634 -20.550 183 2HB LYS 20 HB2 LYS 20 2.976 -39.843 -19.476 184 1HG LYS 20 HG1 LYS 20 4.756 -38.386 -21.458 185 2HG LYS 20 HG2 LYS 20 3.139 -38.922 -21.830 186 1HD LYS 20 HD1 LYS 20 3.880 -36.806 -19.792 187 2HD LYS 20 HD2 LYS 20 3.214 -36.527 -21.379 188 1HE LYS 20 HE1 LYS 20 1.095 -37.524 -20.758 189 2HE LYS 20 HE2 LYS 20 1.735 -38.027 -19.192 190 1HZ LYS 20 HZ1 LYS 20 2.244 -35.678 -18.656 191 2HZ LYS 20 HZ2 LYS 20 1.566 -35.224 -20.144 192 3HZ LYS 20 HZ3 LYS 20 0.580 -35.927 -18.952 193 H CYS 21 HN CYS 21 3.334 -39.563 -16.825 194 HA CYS 21 HA CYS 21 3.650 -36.886 -16.016 195 1HB CYS 21 HB1 CYS 21 2.735 -39.319 -14.553 196 2HB CYS 21 HB2 CYS 21 2.893 -37.794 -13.712 197 H CYS 22 HN CYS 22 5.569 -39.686 -14.809 198 HA CYS 22 HA CYS 22 7.613 -38.367 -13.335 199 1HB CYS 22 HB1 CYS 22 7.307 -40.861 -14.138 200 2HB CYS 22 HB2 CYS 22 8.550 -40.336 -15.212 201 OH TYR 23 OH TYR 23 11.479 -42.710 -18.339 202 H TYR 23 HN TYR 23 7.437 -38.466 -16.820 203 HA TYR 23 HA TYR 23 9.768 -36.810 -16.916 204 1HB TYR 23 HB1 TYR 23 7.970 -37.738 -19.101 205 2HB TYR 23 HB2 TYR 23 9.562 -37.021 -19.300 206 HD1 TYR 23 HD1 TYR 23 9.170 -39.499 -20.455 207 HD2 TYR 23 HD2 TYR 23 9.882 -39.123 -16.240 208 HE1 TYR 23 HE1 TYR 23 10.450 -41.617 -20.439 209 HE2 TYR 23 HE2 TYR 23 11.203 -41.113 -16.302 210 HH TYR 23 HH TYR 23 11.845 -42.840 -17.456 211 H ASP 24 HN ASP 24 6.364 -35.946 -17.236 212 HA ASP 24 HA ASP 24 6.667 -33.138 -17.424 213 1HB ASP 24 HB1 ASP 24 4.641 -34.621 -15.701 214 2HB ASP 24 HB2 ASP 24 4.589 -32.930 -16.138 215 H GLY 25 HN GLY 25 6.892 -35.131 -14.461 216 1HA GLY 25 HA1 GLY 25 7.728 -33.082 -12.701 217 2HA GLY 25 HA2 GLY 25 8.054 -34.783 -12.487 218 H ALA 26 HN ALA 26 9.774 -35.385 -14.445 219 HA ALA 26 HA ALA 26 12.289 -34.499 -13.628 220 1HB ALA 26 HB2 ALA 26 11.945 -36.630 -14.773 221 2HB ALA 26 HB3 ALA 26 11.550 -35.782 -16.267 222 3HB ALA 26 HB1 ALA 26 13.173 -35.678 -15.599 223 OH TYR 27 OH TYR 27 13.011 -33.406 -22.475 224 H TYR 27 HN TYR 27 10.487 -33.309 -16.548 225 HA TYR 27 HA TYR 27 12.320 -31.127 -16.907 226 1HB TYR 27 HB1 TYR 27 9.473 -31.582 -17.809 227 2HB TYR 27 HB2 TYR 27 10.297 -30.069 -18.121 228 HD1 TYR 27 HD1 TYR 27 12.266 -30.006 -19.649 229 HD2 TYR 27 HD2 TYR 27 10.176 -33.643 -18.979 230 HE1 TYR 27 HE1 TYR 27 13.373 -31.016 -21.610 231 HE2 TYR 27 HE2 TYR 27 11.279 -34.634 -20.941 232 HH TYR 27 HH TYR 27 12.721 -34.310 -22.603 233 NH1 ARG 28 NH1 ARG 28 12.910 -24.842 -10.759 234 NH2 ARG 28 NH2 ARG 28 13.375 -26.342 -9.223 235 H ARG 28 HN ARG 28 12.583 -30.748 -14.533 236 HA ARG 28 HA ARG 28 10.689 -29.310 -13.042 237 1HB ARG 28 HB1 ARG 28 13.243 -30.227 -12.586 238 2HB ARG 28 HB2 ARG 28 13.478 -28.512 -12.559 239 1HG ARG 28 HG1 ARG 28 11.761 -30.159 -10.724 240 2HG ARG 28 HG2 ARG 28 13.159 -29.195 -10.333 241 1HD ARG 28 HD1 ARG 28 10.362 -28.220 -10.899 242 2HD ARG 28 HD2 ARG 28 11.260 -28.100 -9.417 243 HE ARG 28 HE ARG 28 11.578 -26.338 -11.740 244 1HH1 ARG 28 HH12 ARG 28 12.374 -24.563 -11.575 245 2HH1 ARG 28 HH11 ARG 28 13.558 -24.230 -10.334 246 1HH2 ARG 28 HH22 ARG 28 13.255 -27.261 -8.821 247 2HH2 ARG 28 HH21 ARG 28 13.996 -25.693 -8.817 248 H ASN 29 HN ASN 29 9.685 -27.544 -13.748 249 HA ASN 29 HA ASN 29 11.224 -25.442 -15.128 250 1HB ASN 29 HB1 ASN 29 8.208 -25.821 -15.018 251 2HB ASN 29 HB2 ASN 29 9.057 -24.565 -15.900 252 1HD2 ASN 29 HD21 ASN 29 7.820 -27.721 -17.199 253 2HD2 ASN 29 HD22 ASN 29 9.109 -28.437 -16.274 254 H ASP 30 HN ASP 30 8.331 -24.825 -13.151 255 HA ASP 30 HA ASP 30 9.183 -22.190 -12.730 256 1HB ASP 30 HB1 ASP 30 6.940 -23.621 -11.242 257 2HB ASP 30 HB2 ASP 30 7.083 -21.904 -11.562 258 H ASP 31 HN ASP 31 8.886 -24.728 -10.150 259 HA ASP 31 HA ASP 31 10.727 -23.276 -8.477 260 1HB ASP 31 HB1 ASP 31 9.134 -22.753 -6.678 261 2HB ASP 31 HB2 ASP 31 8.588 -22.013 -8.168 262 H GLU 32 HN GLU 32 10.964 -24.256 -6.365 263 HA GLU 32 HA GLU 32 11.579 -26.998 -6.461 264 1HB GLU 32 HB1 GLU 32 12.421 -26.722 -4.274 265 2HB GLU 32 HB2 GLU 32 12.742 -25.241 -5.131 266 1HG GLU 32 HG1 GLU 32 10.727 -25.683 -2.887 267 2HG GLU 32 HG2 GLU 32 12.119 -24.627 -2.890 268 H THR 33 HN THR 33 8.466 -25.620 -5.509 269 HA THR 33 HA THR 33 7.834 -27.899 -3.783 270 HB THR 33 HB THR 33 6.180 -25.437 -4.383 271 HG1 THR 33 HG1 THR 33 8.001 -24.909 -3.071 272 1HG2 THR 33 HG22 THR 33 5.893 -27.512 -2.183 273 2HG2 THR 33 HG23 THR 33 4.936 -26.053 -2.370 274 3HG2 THR 33 HG21 THR 33 4.773 -27.355 -3.547 275 H CYS 34 HN CYS 34 7.766 -29.545 -5.186 276 HA CYS 34 HA CYS 34 6.768 -29.754 -7.737 277 1HB CYS 34 HB1 CYS 34 6.913 -31.894 -5.587 278 2HB CYS 34 HB2 CYS 34 6.724 -32.209 -7.298 279 H GLU 35 HN GLU 35 4.979 -30.288 -4.775 280 HA GLU 35 HA GLU 35 2.540 -31.116 -6.028 281 1HB GLU 35 HB1 GLU 35 3.043 -30.060 -3.212 282 2HB GLU 35 HB2 GLU 35 1.536 -30.756 -3.756 283 1HG GLU 35 HG1 GLU 35 4.185 -32.269 -3.598 284 2HG GLU 35 HG2 GLU 35 2.874 -32.380 -2.440 285 H GLU 36 HN GLU 36 3.837 -27.886 -5.804 286 HA GLU 36 HA GLU 36 1.261 -26.581 -6.096 287 1HB GLU 36 HB1 GLU 36 3.098 -25.287 -5.239 288 2HB GLU 36 HB2 GLU 36 4.132 -25.702 -6.579 289 1HG GLU 36 HG1 GLU 36 3.403 -23.372 -6.754 290 2HG GLU 36 HG2 GLU 36 2.737 -24.268 -8.095 291 NH1 ARG 37 NH1 ARG 37 8.529 -30.298 -12.088 292 NH2 ARG 37 NH2 ARG 37 7.918 -28.969 -13.712 293 H ARG 37 HN ARG 37 3.924 -27.243 -8.331 294 HA ARG 37 HA ARG 37 2.647 -26.945 -10.792 295 1HB ARG 37 HB1 ARG 37 4.781 -28.983 -10.077 296 2HB ARG 37 HB2 ARG 37 4.307 -28.548 -11.701 297 1HG ARG 37 HG1 ARG 37 5.017 -26.100 -10.873 298 2HG ARG 37 HG2 ARG 37 5.976 -27.024 -9.732 299 1HD ARG 37 HD1 ARG 37 6.060 -27.292 -12.744 300 2HD ARG 37 HD2 ARG 37 7.255 -26.457 -11.764 301 HE ARG 37 HE ARG 37 7.320 -28.921 -10.657 302 1HH1 ARG 37 HH12 ARG 37 8.545 -30.529 -11.127 303 2HH1 ARG 37 HH11 ARG 37 8.993 -30.876 -12.759 304 1HH2 ARG 37 HH22 ARG 37 7.390 -28.195 -14.022 305 2HH2 ARG 37 HH21 ARG 37 8.453 -29.541 -14.353 306 H ALA 38 HN ALA 38 2.909 -29.997 -8.871 307 HA ALA 38 HA ALA 38 0.836 -31.138 -10.558 308 1HB ALA 38 HB1 ALA 38 2.740 -32.365 -8.644 309 2HB ALA 38 HB2 ALA 38 1.486 -33.244 -9.547 310 3HB ALA 38 HB3 ALA 38 2.705 -32.330 -10.441 311 H ALA 39 HN ALA 39 0.326 -29.379 -7.596 312 HA ALA 39 HA ALA 39 -2.305 -30.423 -7.506 313 1HB ALA 39 HB2 ALA 39 -1.494 -28.722 -5.918 314 2HB ALA 39 HB3 ALA 39 -1.366 -27.544 -7.218 315 3HB ALA 39 HB1 ALA 39 -2.950 -28.157 -6.739 316 NH1 ARG 40 NH1 ARG 40 -1.921 -22.488 -8.165 317 NH2 ARG 40 NH2 ARG 40 -3.636 -22.767 -9.501 318 H ARG 40 HN ARG 40 -0.794 -28.093 -9.749 319 HA ARG 40 HA ARG 40 -3.134 -27.777 -11.377 320 1HB ARG 40 HB1 ARG 40 -0.301 -27.435 -12.365 321 2HB ARG 40 HB2 ARG 40 -1.746 -26.667 -12.990 322 1HG ARG 40 HG1 ARG 40 -0.463 -26.126 -10.282 323 2HG ARG 40 HG2 ARG 40 -0.309 -25.116 -11.695 324 1HD ARG 40 HD1 ARG 40 -2.567 -24.402 -11.586 325 2HD ARG 40 HD2 ARG 40 -2.985 -25.626 -10.376 326 HE ARG 40 HE ARG 40 -0.884 -24.171 -9.245 327 1HH1 ARG 40 HH12 ARG 40 -0.992 -22.809 -7.886 328 2HH1 ARG 40 HH11 ARG 40 -2.382 -21.740 -7.716 329 1HH2 ARG 40 HH22 ARG 40 -4.042 -23.267 -10.250 330 2HH2 ARG 40 HH21 ARG 40 -4.094 -22.024 -9.040 331 H ILE 41 HN ILE 41 -0.275 -29.869 -12.127 332 HA ILE 41 HA ILE 41 -1.643 -31.553 -13.884 333 HB ILE 41 HB ILE 41 0.931 -32.271 -12.448 334 1HG1 ILE 41 HG11 ILE 41 1.403 -31.877 -15.159 335 2HG1 ILE 41 HG12 ILE 41 0.213 -30.614 -14.806 336 1HG2 ILE 41 HG21 ILE 41 -0.424 -33.614 -14.670 337 2HG2 ILE 41 HG22 ILE 41 1.288 -33.761 -14.067 338 3HG2 ILE 41 HG23 ILE 41 -0.108 -34.268 -13.052 339 1HD1 ILE 41 HD13 ILE 41 2.495 -31.161 -13.018 340 2HD1 ILE 41 HD11 ILE 41 2.666 -30.013 -14.394 341 3HD1 ILE 41 HD12 ILE 41 1.534 -29.710 -13.064 342 H LYS 42 HN LYS 42 -3.257 -31.984 -13.274 343 HA LYS 42 HA LYS 42 -4.204 -33.167 -10.749 344 1HB LYS 42 HB1 LYS 42 -6.427 -32.506 -11.472 345 2HB LYS 42 HB2 LYS 42 -5.299 -31.175 -11.613 346 1HG LYS 42 HG1 LYS 42 -5.136 -31.691 -14.108 347 2HG LYS 42 HG2 LYS 42 -6.406 -32.876 -13.884 348 1HD LYS 42 HD1 LYS 42 -7.838 -31.229 -14.354 349 2HD LYS 42 HD2 LYS 42 -7.541 -30.638 -12.741 350 1HE LYS 42 HE1 LYS 42 -6.054 -29.738 -15.224 351 2HE LYS 42 HE2 LYS 42 -7.407 -28.888 -14.498 352 1HZ LYS 42 HZ2 LYS 42 -6.052 -28.855 -12.403 353 2HZ LYS 42 HZ3 LYS 42 -4.679 -29.343 -13.288 354 3HZ LYS 42 HZ1 LYS 42 -5.461 -27.888 -13.660 355 H ILE 43 HN ILE 43 -3.075 -34.790 -13.284 356 HA ILE 43 HA ILE 43 -5.290 -36.068 -14.493 357 HB ILE 43 HB ILE 43 -2.343 -36.759 -14.626 358 1HG1 ILE 43 HG11 ILE 43 -4.060 -35.279 -16.647 359 2HG1 ILE 43 HG12 ILE 43 -3.131 -34.442 -15.431 360 1HG2 ILE 43 HG23 ILE 43 -4.604 -37.694 -16.444 361 2HG2 ILE 43 HG21 ILE 43 -2.892 -37.991 -16.721 362 3HG2 ILE 43 HG22 ILE 43 -3.686 -38.719 -15.350 363 1HD1 ILE 43 HD13 ILE 43 -1.034 -35.407 -16.368 364 2HD1 ILE 43 HD11 ILE 43 -1.972 -36.190 -17.634 365 3HD1 ILE 43 HD12 ILE 43 -1.918 -34.437 -17.543 366 H GLY 44 HN GLY 44 -3.110 -37.408 -11.961 367 1HA GLY 44 HA1 GLY 44 -5.251 -38.879 -10.849 368 2HA GLY 44 HA2 GLY 44 -4.291 -39.972 -11.818 369 HA PRO 45 HA PRO 45 -2.648 -39.413 -7.204 370 1HB PRO 45 HB1 PRO 45 -3.480 -42.332 -7.297 371 2HB PRO 45 HB2 PRO 45 -3.381 -41.230 -5.911 372 1HG PRO 45 HG1 PRO 45 -5.746 -41.624 -6.995 373 2HG PRO 45 HG2 PRO 45 -5.258 -39.947 -6.668 374 1HD PRO 45 HD1 PRO 45 -5.161 -41.471 -9.293 375 2HD PRO 45 HD2 PRO 45 -5.777 -39.837 -8.957 376 H LYS 46 HN LYS 46 -2.231 -42.236 -9.307 377 HA LYS 46 HA LYS 46 0.499 -42.737 -8.636 378 1HB LYS 46 HB1 LYS 46 -1.187 -43.686 -10.963 379 2HB LYS 46 HB2 LYS 46 0.434 -44.258 -10.609 380 1HG LYS 46 HG1 LYS 46 -0.291 -45.124 -8.434 381 2HG LYS 46 HG2 LYS 46 -1.909 -44.491 -8.683 382 1HD LYS 46 HD1 LYS 46 -2.175 -45.980 -10.656 383 2HD LYS 46 HD2 LYS 46 -0.568 -46.633 -10.365 384 1HE LYS 46 HE1 LYS 46 -1.285 -47.442 -8.147 385 2HE LYS 46 HE2 LYS 46 -2.891 -46.762 -8.411 386 1HZ LYS 46 HZ1 LYS 46 -1.580 -48.802 -10.123 387 2HZ LYS 46 HZ2 LYS 46 -2.821 -49.112 -9.014 388 3HZ LYS 46 HZ3 LYS 46 -3.117 -48.147 -10.373 389 H CYS 47 HN CYS 47 -0.976 -40.633 -11.012 390 HA CYS 47 HA CYS 47 1.408 -40.055 -12.492 391 1HB CYS 47 HB1 CYS 47 -1.370 -39.176 -12.567 392 2HB CYS 47 HB2 CYS 47 -0.307 -37.799 -12.685 393 H VAL 48 HN VAL 48 -0.287 -37.843 -10.052 394 HA VAL 48 HA VAL 48 1.710 -36.345 -9.398 395 HB VAL 48 HB VAL 48 0.467 -37.428 -6.893 396 1HG1 VAL 48 HG12 VAL 48 1.685 -35.190 -7.153 397 2HG1 VAL 48 HG13 VAL 48 0.443 -34.817 -8.371 398 3HG1 VAL 48 HG11 VAL 48 0.001 -34.956 -6.660 399 1HG2 VAL 48 HG21 VAL 48 -1.330 -37.866 -8.272 400 2HG2 VAL 48 HG22 VAL 48 -1.694 -36.532 -7.168 401 3HG2 VAL 48 HG23 VAL 48 -1.381 -36.207 -8.879 402 H LYS 49 HN LYS 49 1.416 -39.601 -8.006 403 HA LYS 49 HA LYS 49 3.762 -39.623 -6.450 404 1HB LYS 49 HB1 LYS 49 1.842 -41.367 -6.643 405 2HB LYS 49 HB2 LYS 49 2.846 -42.114 -7.871 406 1HG LYS 49 HG1 LYS 49 4.728 -42.179 -6.159 407 2HG LYS 49 HG2 LYS 49 3.575 -41.606 -4.962 408 1HD LYS 49 HD1 LYS 49 2.145 -43.636 -5.540 409 2HD LYS 49 HD2 LYS 49 3.499 -44.228 -6.479 410 1HE LYS 49 HE1 LYS 49 3.425 -43.752 -3.499 411 2HE LYS 49 HE2 LYS 49 3.501 -45.300 -4.328 412 1HZ LYS 49 HZ2 LYS 49 5.724 -44.523 -5.333 413 2HZ LYS 49 HZ3 LYS 49 5.584 -43.194 -4.297 414 3HZ LYS 49 HZ1 LYS 49 5.708 -44.736 -3.634 415 H ALA 50 HN ALA 50 3.626 -40.933 -9.835 416 HA ALA 50 HA ALA 50 6.400 -41.264 -10.307 417 1HB ALA 50 HB1 ALA 50 4.576 -42.055 -11.773 418 2HB ALA 50 HB2 ALA 50 4.247 -40.413 -12.275 419 3HB ALA 50 HB3 ALA 50 5.772 -41.197 -12.711 420 H PHE 51 HN PHE 51 4.372 -38.378 -10.876 421 HA PHE 51 HA PHE 51 6.253 -36.528 -11.749 422 1HB PHE 51 HB1 PHE 51 3.665 -36.382 -11.440 423 2HB PHE 51 HB2 PHE 51 4.003 -35.869 -9.809 424 HD1 PHE 51 HD1 PHE 51 5.625 -33.714 -9.593 425 HD2 PHE 51 HD2 PHE 51 3.321 -34.663 -13.033 426 HE1 PHE 51 HE1 PHE 51 6.128 -31.523 -10.556 427 HE2 PHE 51 HE2 PHE 51 3.790 -32.577 -13.965 428 HZ PHE 51 HZ PHE 51 5.297 -30.948 -12.799 429 H LYS 52 HN LYS 52 5.216 -36.932 -8.299 430 HA LYS 52 HA LYS 52 7.110 -35.112 -7.284 431 1HB LYS 52 HB1 LYS 52 4.933 -35.943 -6.226 432 2HB LYS 52 HB2 LYS 52 5.821 -37.349 -5.702 433 1HG LYS 52 HG1 LYS 52 7.361 -35.029 -4.937 434 2HG LYS 52 HG2 LYS 52 5.693 -34.689 -4.564 435 1HD LYS 52 HD1 LYS 52 6.742 -35.591 -2.606 436 2HD LYS 52 HD2 LYS 52 5.562 -36.734 -3.194 437 1HE LYS 52 HE1 LYS 52 7.602 -37.832 -2.369 438 2HE LYS 52 HE2 LYS 52 7.304 -38.190 -4.061 439 1HZ LYS 52 HZ3 LYS 52 9.097 -36.020 -3.132 440 2HZ LYS 52 HZ1 LYS 52 9.648 -37.565 -3.556 441 3HZ LYS 52 HZ2 LYS 52 8.943 -36.575 -4.733 442 H ASP 53 HN ASP 53 7.422 -38.694 -7.687 443 HA ASP 53 HA ASP 53 9.935 -38.882 -6.361 444 1HB ASP 53 HB1 ASP 53 8.381 -40.808 -7.095 445 2HB ASP 53 HB2 ASP 53 9.111 -40.666 -8.679 446 H CYS 54 HN CYS 54 9.332 -38.649 -9.922 447 HA CYS 54 HA CYS 54 11.981 -38.107 -10.670 448 1HB CYS 54 HB1 CYS 54 9.296 -37.708 -11.881 449 2HB CYS 54 HB2 CYS 54 10.612 -36.829 -12.602 450 H CYS 55 HN CYS 55 9.452 -35.678 -9.819 451 HA CYS 55 HA CYS 55 11.032 -33.386 -10.267 452 1HB CYS 55 HB1 CYS 55 8.613 -33.374 -10.095 453 2HB CYS 55 HB2 CYS 55 8.697 -33.809 -8.413 454 OH TYR 56 OH TYR 56 16.502 -37.001 -1.781 455 H TYR 56 HN TYR 56 10.661 -35.239 -7.145 456 HA TYR 56 HA TYR 56 12.506 -33.745 -5.664 457 1HB TYR 56 HB1 TYR 56 11.217 -35.381 -4.533 458 2HB TYR 56 HB2 TYR 56 11.730 -36.667 -5.607 459 HD1 TYR 56 HD1 TYR 56 13.236 -34.219 -3.147 460 HD2 TYR 56 HD2 TYR 56 13.417 -38.113 -4.837 461 HE1 TYR 56 HE1 TYR 56 15.182 -34.737 -1.749 462 HE2 TYR 56 HE2 TYR 56 15.380 -38.619 -3.429 463 HH TYR 56 HH TYR 56 16.711 -36.260 -1.210 464 H ILE 57 HN ILE 57 13.264 -36.600 -7.755 465 HA ILE 57 HA ILE 57 16.072 -36.299 -7.406 466 HB ILE 57 HB ILE 57 14.673 -37.745 -9.631 467 1HG1 ILE 57 HG11 ILE 57 15.894 -39.173 -7.289 468 2HG1 ILE 57 HG12 ILE 57 14.428 -38.291 -6.946 469 1HG2 ILE 57 HG21 ILE 57 17.514 -38.016 -8.547 470 2HG2 ILE 57 HG22 ILE 57 16.781 -39.073 -9.749 471 3HG2 ILE 57 HG23 ILE 57 17.086 -37.389 -10.134 472 1HD1 ILE 57 HD13 ILE 57 13.286 -39.410 -8.781 473 2HD1 ILE 57 HD11 ILE 57 14.724 -40.395 -9.093 474 3HD1 ILE 57 HD12 ILE 57 13.855 -40.555 -7.564 475 H ALA 58 HN ALA 58 14.003 -35.008 -10.000 476 HA ALA 58 HA ALA 58 15.872 -33.514 -11.475 477 1HB ALA 58 HB2 ALA 58 13.554 -33.736 -12.074 478 2HB ALA 58 HB3 ALA 58 13.085 -32.687 -10.741 479 3HB ALA 58 HB1 ALA 58 14.071 -32.058 -12.063 480 H ASN 59 HN ASN 59 14.195 -32.308 -8.490 481 HA ASN 59 HA ASN 59 15.791 -29.958 -8.276 482 1HB ASN 59 HB1 ASN 59 14.181 -31.407 -6.171 483 2HB ASN 59 HB2 ASN 59 15.015 -29.887 -5.883 484 1HD2 ASN 59 HD21 ASN 59 11.425 -29.809 -6.883 485 2HD2 ASN 59 HD22 ASN 59 12.133 -31.226 -7.607 486 H GLN 60 HN GLN 60 16.324 -33.182 -6.820 487 HA GLN 60 HA GLN 60 18.787 -32.717 -5.555 488 1HB GLN 60 HB1 GLN 60 17.371 -34.777 -5.490 489 2HB GLN 60 HB2 GLN 60 17.880 -35.127 -7.127 490 1HG GLN 60 HG1 GLN 60 20.236 -35.419 -6.318 491 2HG GLN 60 HG2 GLN 60 19.661 -35.196 -4.671 492 1HE2 GLN 60 HE21 GLN 60 18.123 -38.440 -4.621 493 2HE2 GLN 60 HE22 GLN 60 18.089 -36.902 -3.831 494 H VAL 61 HN VAL 61 18.319 -33.668 -9.018 495 HA VAL 61 HA VAL 61 20.981 -33.284 -9.837 496 HB VAL 61 HB VAL 61 18.426 -33.041 -11.426 497 1HG1 VAL 61 HG12 VAL 61 21.255 -33.226 -12.537 498 2HG1 VAL 61 HG13 VAL 61 19.775 -33.362 -13.480 499 3HG1 VAL 61 HG11 VAL 61 20.182 -31.842 -12.708 500 1HG2 VAL 61 HG23 VAL 61 20.492 -35.265 -11.219 501 2HG2 VAL 61 HG21 VAL 61 18.864 -35.283 -10.536 502 3HG2 VAL 61 HG22 VAL 61 19.085 -35.282 -12.281 503 NH1 ARG 62 NH1 ARG 62 15.277 -27.594 -14.630 504 NH2 ARG 62 NH2 ARG 62 15.068 -26.494 -12.779 505 H ARG 62 HN ARG 62 18.376 -30.765 -9.857 506 HA ARG 62 HA ARG 62 20.035 -28.619 -10.613 507 1HB ARG 62 HB1 ARG 62 17.572 -28.630 -8.849 508 2HB ARG 62 HB2 ARG 62 18.341 -27.168 -9.420 509 1HG ARG 62 HG1 ARG 62 17.359 -29.274 -11.361 510 2HG ARG 62 HG2 ARG 62 16.285 -28.059 -10.720 511 1HD ARG 62 HD1 ARG 62 17.628 -26.269 -11.723 512 2HD ARG 62 HD2 ARG 62 18.844 -27.424 -12.229 513 HE ARG 62 HE ARG 62 17.440 -28.081 -13.994 514 1HH1 ARG 62 HH12 ARG 62 15.797 -28.119 -15.285 515 2HH1 ARG 62 HH11 ARG 62 14.302 -27.352 -14.770 516 1HH2 ARG 62 HH22 ARG 62 15.438 -26.185 -11.918 517 2HH2 ARG 62 HH21 ARG 62 14.143 -26.286 -13.075 518 H ALA 63 HN ALA 63 19.565 -29.867 -7.270 519 HA ALA 63 HA ALA 63 21.393 -28.063 -6.065 520 1HB ALA 63 HB2 ALA 63 19.821 -29.420 -4.773 521 2HB ALA 63 HB3 ALA 63 20.643 -30.895 -5.275 522 3HB ALA 63 HB1 ALA 63 21.470 -29.735 -4.236 523 H GLU 64 HN GLU 64 22.058 -31.192 -7.658 524 HA GLU 64 HA GLU 64 24.902 -31.071 -7.272 525 1HB GLU 64 HB1 GLU 64 23.262 -32.542 -9.360 526 2HB GLU 64 HB2 GLU 64 24.980 -32.783 -9.096 527 1HG GLU 64 HG1 GLU 64 24.582 -33.687 -6.856 528 2HG GLU 64 HG2 GLU 64 22.869 -33.297 -6.957 529 H GLN 65 HN GLN 65 22.896 -30.152 -10.139 530 HA GLN 65 HA GLN 65 25.085 -28.339 -10.972 531 1HB GLN 65 HB1 GLN 65 25.291 -30.555 -12.132 532 2HB GLN 65 HB2 GLN 65 23.688 -30.319 -12.801 533 1HG GLN 65 HG1 GLN 65 24.557 -28.264 -14.022 534 2HG GLN 65 HG2 GLN 65 26.155 -28.613 -13.380 535 1HE2 GLN 65 HE21 GLN 65 24.753 -30.923 -16.393 536 2HE2 GLN 65 HE22 GLN 65 23.620 -29.926 -15.530 Start of MODEL 37 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 17.725 -46.464 -9.300 2 2H MET 1 HT3 MET 1 19.168 -47.048 -9.965 3 3H MET 1 HT2 MET 1 18.709 -47.493 -8.404 4 HA MET 1 HA MET 1 19.040 -45.305 -7.603 5 1HB MET 1 HB1 MET 1 21.355 -46.388 -9.227 6 2HB MET 1 HB2 MET 1 21.518 -45.147 -8.014 7 1HG MET 1 HG1 MET 1 20.566 -47.980 -7.467 8 2HG MET 1 HG2 MET 1 22.181 -47.384 -7.193 9 1HE MET 1 HE1 MET 1 22.635 -45.209 -5.505 10 2HE MET 1 HE2 MET 1 22.097 -45.630 -3.890 11 3HE MET 1 HE3 MET 1 22.946 -46.830 -4.848 12 H LEU 2 HN LEU 2 18.717 -43.269 -7.964 13 HA LEU 2 HA LEU 2 18.188 -41.300 -8.894 14 1HB LEU 2 HB1 LEU 2 20.981 -41.692 -9.961 15 2HB LEU 2 HB2 LEU 2 20.146 -40.153 -9.938 16 HG LEU 2 HG LEU 2 20.767 -41.766 -7.443 17 1HD1 LEU 2 HD11 LEU 2 22.846 -41.084 -8.566 18 2HD1 LEU 2 HD12 LEU 2 22.271 -39.422 -8.658 19 3HD1 LEU 2 HD13 LEU 2 22.610 -40.154 -7.094 20 1HD2 LEU 2 HD23 LEU 2 19.962 -38.849 -7.775 21 2HD2 LEU 2 HD21 LEU 2 18.932 -40.116 -7.119 22 3HD2 LEU 2 HD22 LEU 2 20.380 -39.633 -6.257 23 H GLN 3 HN GLN 3 20.001 -42.059 -11.799 24 HA GLN 3 HA GLN 3 18.005 -41.169 -13.630 25 1HB GLN 3 HB1 GLN 3 20.481 -41.119 -13.937 26 2HB GLN 3 HB2 GLN 3 20.516 -42.861 -13.996 27 1HG GLN 3 HG1 GLN 3 19.030 -41.205 -16.059 28 2HG GLN 3 HG2 GLN 3 20.728 -41.603 -16.212 29 1HE2 GLN 3 HE21 GLN 3 18.112 -44.260 -17.494 30 2HE2 GLN 3 HE22 GLN 3 17.778 -42.570 -17.258 31 H LYS 4 HN LYS 4 19.097 -44.372 -12.619 32 HA LYS 4 HA LYS 4 17.172 -45.840 -14.146 33 1HB LYS 4 HB1 LYS 4 19.070 -46.598 -11.929 34 2HB LYS 4 HB2 LYS 4 17.962 -47.760 -12.643 35 1HG LYS 4 HG1 LYS 4 19.874 -46.135 -14.355 36 2HG LYS 4 HG2 LYS 4 20.387 -47.618 -13.578 37 1HD LYS 4 HD1 LYS 4 18.789 -48.927 -14.802 38 2HD LYS 4 HD2 LYS 4 17.969 -47.510 -15.415 39 1HE LYS 4 HE1 LYS 4 20.858 -48.060 -16.085 40 2HE LYS 4 HE2 LYS 4 19.537 -48.779 -17.000 41 1HZ LYS 4 HZ2 LYS 4 18.610 -46.479 -17.353 42 2HZ LYS 4 HZ3 LYS 4 19.963 -45.801 -16.599 43 3HZ LYS 4 HZ1 LYS 4 20.166 -46.700 -18.022 44 H LYS 5 HN LYS 5 17.076 -44.481 -10.886 45 HA LYS 5 HA LYS 5 14.639 -45.667 -10.018 46 1HB LYS 5 HB1 LYS 5 16.280 -43.319 -9.242 47 2HB LYS 5 HB2 LYS 5 14.600 -43.196 -8.852 48 1HG LYS 5 HG1 LYS 5 16.056 -45.719 -8.062 49 2HG LYS 5 HG2 LYS 5 16.352 -44.259 -7.138 50 1HD LYS 5 HD1 LYS 5 13.582 -45.410 -7.609 51 2HD LYS 5 HD2 LYS 5 14.561 -45.785 -6.205 52 1HE LYS 5 HE1 LYS 5 14.549 -43.473 -5.489 53 2HE LYS 5 HE2 LYS 5 13.742 -42.954 -6.961 54 1HZ LYS 5 HZ1 LYS 5 11.964 -44.777 -6.228 55 2HZ LYS 5 HZ2 LYS 5 12.598 -44.404 -4.689 56 3HZ LYS 5 HZ3 LYS 5 11.912 -43.181 -5.707 57 H ILE 6 HN ILE 6 15.190 -42.570 -11.713 58 HA ILE 6 HA ILE 6 12.564 -41.878 -12.366 59 HB ILE 6 HB ILE 6 15.171 -41.577 -13.908 60 1HG1 ILE 6 HG11 ILE 6 13.512 -39.500 -12.466 61 2HG1 ILE 6 HG12 ILE 6 14.897 -40.324 -11.786 62 1HG2 ILE 6 HG21 ILE 6 12.536 -40.342 -14.791 63 2HG2 ILE 6 HG22 ILE 6 14.105 -39.932 -15.459 64 3HG2 ILE 6 HG23 ILE 6 13.472 -41.535 -15.679 65 1HD1 ILE 6 HD13 ILE 6 16.365 -39.299 -13.508 66 2HD1 ILE 6 HD11 ILE 6 14.986 -38.427 -14.172 67 3HD1 ILE 6 HD12 ILE 6 15.532 -38.085 -12.546 68 H GLU 7 HN GLU 7 14.672 -44.057 -14.316 69 HA GLU 7 HA GLU 7 12.590 -44.918 -16.035 70 1HB GLU 7 HB1 GLU 7 15.147 -46.324 -15.283 71 2HB GLU 7 HB2 GLU 7 14.012 -46.949 -16.468 72 1HG GLU 7 HG1 GLU 7 14.268 -44.769 -17.763 73 2HG GLU 7 HG2 GLU 7 15.559 -44.330 -16.652 74 H GLU 8 HN GLU 8 13.676 -46.550 -12.999 75 HA GLU 8 HA GLU 8 11.963 -48.737 -13.067 76 1HB GLU 8 HB1 GLU 8 12.948 -47.150 -10.690 77 2HB GLU 8 HB2 GLU 8 12.055 -48.647 -10.524 78 1HG GLU 8 HG1 GLU 8 13.873 -49.848 -11.783 79 2HG GLU 8 HG2 GLU 8 14.783 -48.338 -11.824 80 H GLU 9 HN GLU 9 11.052 -45.515 -11.692 81 HA GLU 9 HA GLU 9 8.193 -46.384 -11.879 82 1HB GLU 9 HB1 GLU 9 7.827 -45.545 -9.532 83 2HB GLU 9 HB2 GLU 9 8.837 -46.978 -9.595 84 1HG GLU 9 HG1 GLU 9 10.881 -45.515 -9.331 85 2HG GLU 9 HG2 GLU 9 9.850 -44.109 -9.253 86 H ALA 10 HN ALA 10 9.799 -43.725 -13.318 87 HA ALA 10 HA ALA 10 7.141 -44.008 -14.137 88 1HB ALA 10 HB3 ALA 10 9.900 -44.388 -15.452 89 2HB ALA 10 HB1 ALA 10 8.447 -44.248 -16.405 90 3HB ALA 10 HB2 ALA 10 8.975 -42.892 -15.410 91 H ALA 11 HN ALA 11 9.485 -46.775 -14.691 92 HA ALA 11 HA ALA 11 7.537 -48.104 -16.227 93 1HB ALA 11 HB1 ALA 11 9.901 -48.526 -16.537 94 2HB ALA 11 HB2 ALA 11 10.038 -49.199 -14.918 95 3HB ALA 11 HB3 ALA 11 9.103 -50.050 -16.150 96 H LYS 12 HN LYS 12 8.326 -48.909 -12.804 97 HA LYS 12 HA LYS 12 6.803 -51.306 -12.757 98 1HB LYS 12 HB1 LYS 12 8.010 -49.579 -10.594 99 2HB LYS 12 HB2 LYS 12 7.180 -51.078 -10.235 100 1HG LYS 12 HG1 LYS 12 8.812 -52.375 -11.473 101 2HG LYS 12 HG2 LYS 12 9.552 -50.922 -12.128 102 1HD LYS 12 HD1 LYS 12 10.343 -50.267 -9.896 103 2HD LYS 12 HD2 LYS 12 9.534 -51.652 -9.178 104 1HE LYS 12 HE1 LYS 12 10.976 -53.187 -10.425 105 2HE LYS 12 HE2 LYS 12 11.746 -51.835 -11.247 106 1HZ LYS 12 HZ3 LYS 12 11.711 -51.998 -8.297 107 2HZ LYS 12 HZ1 LYS 12 12.893 -52.794 -9.195 108 3HZ LYS 12 HZ2 LYS 12 12.837 -51.119 -9.238 109 OH TYR 13 OH TYR 13 5.019 -44.273 -8.896 110 H TYR 13 HN TYR 13 5.018 -49.185 -13.656 111 HA TYR 13 HA TYR 13 2.815 -49.535 -11.744 112 1HB TYR 13 HB1 TYR 13 3.434 -47.411 -13.884 113 2HB TYR 13 HB2 TYR 13 1.951 -47.463 -12.954 114 HD1 TYR 13 HD1 TYR 13 2.227 -47.439 -10.362 115 HD2 TYR 13 HD2 TYR 13 5.268 -46.021 -13.032 116 HE1 TYR 13 HE1 TYR 13 3.073 -45.956 -8.613 117 HE2 TYR 13 HE2 TYR 13 6.028 -44.501 -11.270 118 HH TYR 13 HH TYR 13 4.268 -44.140 -8.306 119 H LYS 14 HN LYS 14 1.232 -48.657 -14.280 120 HA LYS 14 HA LYS 14 1.613 -50.972 -16.068 121 1HB LYS 14 HB1 LYS 14 -0.655 -48.978 -15.961 122 2HB LYS 14 HB2 LYS 14 -0.406 -50.134 -17.259 123 1HG LYS 14 HG1 LYS 14 -0.596 -52.008 -15.635 124 2HG LYS 14 HG2 LYS 14 -0.869 -50.849 -14.342 125 1HD LYS 14 HD1 LYS 14 -2.938 -50.082 -15.408 126 2HD LYS 14 HD2 LYS 14 -2.625 -51.077 -16.812 127 1HE LYS 14 HE1 LYS 14 -4.309 -52.175 -15.538 128 2HE LYS 14 HE2 LYS 14 -2.832 -53.114 -15.377 129 1HZ LYS 14 HZ3 LYS 14 -3.793 -51.088 -13.434 130 2HZ LYS 14 HZ1 LYS 14 -3.923 -52.766 -13.228 131 3HZ LYS 14 HZ2 LYS 14 -2.399 -52.030 -13.275 132 OH TYR 15 OH TYR 15 7.014 -53.779 -17.947 133 H TYR 15 HN TYR 15 3.680 -49.286 -15.968 134 HA TYR 15 HA TYR 15 5.075 -47.809 -16.921 135 1HB TYR 15 HB1 TYR 15 3.802 -48.822 -19.484 136 2HB TYR 15 HB2 TYR 15 5.366 -48.052 -19.352 137 HD1 TYR 15 HD1 TYR 15 7.305 -49.336 -18.610 138 HD2 TYR 15 HD2 TYR 15 3.446 -51.114 -18.485 139 HE1 TYR 15 HE1 TYR 15 8.328 -51.536 -18.239 140 HE2 TYR 15 HE2 TYR 15 4.492 -53.320 -18.109 141 HH TYR 15 HH TYR 15 7.968 -53.704 -17.922 142 H ALA 16 HN ALA 16 2.236 -47.243 -19.015 143 HA ALA 16 HA ALA 16 3.778 -45.171 -20.198 144 1HB ALA 16 HB2 ALA 16 0.913 -46.019 -20.687 145 2HB ALA 16 HB3 ALA 16 1.841 -44.946 -21.733 146 3HB ALA 16 HB1 ALA 16 2.356 -46.611 -21.502 147 H MET 17 HN MET 17 0.585 -44.705 -18.639 148 HA MET 17 HA MET 17 0.620 -41.864 -19.028 149 1HB MET 17 HB1 MET 17 -1.430 -43.278 -18.930 150 2HB MET 17 HB2 MET 17 -1.155 -43.537 -17.219 151 1HG MET 17 HG1 MET 17 -1.443 -41.119 -16.785 152 2HG MET 17 HG2 MET 17 -1.650 -40.823 -18.499 153 1HE MET 17 HE3 MET 17 -3.696 -42.093 -19.913 154 2HE MET 17 HE1 MET 17 -5.238 -41.617 -19.226 155 3HE MET 17 HE2 MET 17 -3.975 -40.412 -19.410 156 H LEU 18 HN LEU 18 1.458 -43.945 -16.313 157 HA LEU 18 HA LEU 18 1.784 -41.874 -14.380 158 1HB LEU 18 HB1 LEU 18 2.722 -44.760 -14.373 159 2HB LEU 18 HB2 LEU 18 2.545 -43.712 -12.986 160 HG LEU 18 HG LEU 18 0.792 -45.077 -12.799 161 1HD1 LEU 18 HD12 LEU 18 -0.014 -42.835 -12.564 162 2HD1 LEU 18 HD13 LEU 18 -0.396 -42.725 -14.267 163 3HD1 LEU 18 HD11 LEU 18 -1.314 -43.823 -13.232 164 1HD2 LEU 18 HD22 LEU 18 0.801 -46.363 -14.817 165 2HD2 LEU 18 HD23 LEU 18 -0.837 -45.866 -14.409 166 3HD2 LEU 18 HD21 LEU 18 0.023 -45.056 -15.698 167 H LYS 19 HN LYS 19 4.430 -44.077 -15.745 168 HA LYS 19 HA LYS 19 6.418 -42.440 -15.726 169 1HB LYS 19 HB1 LYS 19 6.280 -44.558 -17.077 170 2HB LYS 19 HB2 LYS 19 5.106 -43.852 -18.140 171 1HG LYS 19 HG1 LYS 19 6.784 -42.594 -19.336 172 2HG LYS 19 HG2 LYS 19 8.025 -43.068 -18.192 173 1HD LYS 19 HD1 LYS 19 7.610 -45.470 -18.834 174 2HD LYS 19 HD2 LYS 19 6.460 -44.912 -20.025 175 1HE LYS 19 HE1 LYS 19 8.405 -45.351 -21.249 176 2HE LYS 19 HE2 LYS 19 8.360 -43.603 -21.090 177 1HZ LYS 19 HZ1 LYS 19 9.853 -45.340 -19.219 178 2HZ LYS 19 HZ2 LYS 19 10.553 -44.684 -20.605 179 3HZ LYS 19 HZ3 LYS 19 10.074 -43.643 -19.360 180 H LYS 20 HN LYS 20 3.899 -41.600 -18.274 181 HA LYS 20 HA LYS 20 5.140 -39.212 -19.058 182 1HB LYS 20 HB1 LYS 20 3.326 -40.159 -20.303 183 2HB LYS 20 HB2 LYS 20 2.243 -40.077 -18.942 184 1HG LYS 20 HG1 LYS 20 3.232 -37.445 -19.904 185 2HG LYS 20 HG2 LYS 20 2.221 -38.325 -21.035 186 1HD LYS 20 HD1 LYS 20 0.463 -38.551 -19.289 187 2HD LYS 20 HD2 LYS 20 1.454 -37.652 -18.166 188 1HE LYS 20 HE1 LYS 20 0.382 -36.537 -20.766 189 2HE LYS 20 HE2 LYS 20 -0.365 -36.315 -19.187 190 1HZ LYS 20 HZ1 LYS 20 1.797 -35.334 -18.385 191 2HZ LYS 20 HZ2 LYS 20 2.380 -35.463 -19.948 192 3HZ LYS 20 HZ3 LYS 20 1.083 -34.436 -19.639 193 H CYS 21 HN CYS 21 2.823 -39.588 -16.206 194 HA CYS 21 HA CYS 21 3.155 -36.926 -15.330 195 1HB CYS 21 HB1 CYS 21 2.528 -39.441 -13.839 196 2HB CYS 21 HB2 CYS 21 2.645 -37.902 -13.020 197 H CYS 22 HN CYS 22 5.229 -39.742 -14.451 198 HA CYS 22 HA CYS 22 7.395 -38.456 -13.143 199 1HB CYS 22 HB1 CYS 22 7.001 -40.923 -14.078 200 2HB CYS 22 HB2 CYS 22 8.219 -40.325 -15.146 201 OH TYR 23 OH TYR 23 10.740 -42.586 -18.648 202 H TYR 23 HN TYR 23 6.884 -38.397 -16.598 203 HA TYR 23 HA TYR 23 9.213 -36.747 -16.830 204 1HB TYR 23 HB1 TYR 23 7.219 -37.565 -18.885 205 2HB TYR 23 HB2 TYR 23 8.790 -36.841 -19.194 206 HD1 TYR 23 HD1 TYR 23 8.246 -39.285 -20.402 207 HD2 TYR 23 HD2 TYR 23 9.392 -39.057 -16.280 208 HE1 TYR 23 HE1 TYR 23 9.529 -41.396 -20.603 209 HE2 TYR 23 HE2 TYR 23 10.694 -41.051 -16.545 210 HH TYR 23 HH TYR 23 11.209 -42.727 -17.817 211 H ASP 24 HN ASP 24 5.804 -35.889 -16.832 212 HA ASP 24 HA ASP 24 6.070 -33.073 -16.900 213 1HB ASP 24 HB1 ASP 24 4.176 -34.675 -15.135 214 2HB ASP 24 HB2 ASP 24 4.080 -32.963 -15.476 215 H GLY 25 HN GLY 25 6.537 -35.209 -14.063 216 1HA GLY 25 HA1 GLY 25 7.505 -33.248 -12.278 217 2HA GLY 25 HA2 GLY 25 7.866 -34.953 -12.185 218 H ALA 26 HN ALA 26 9.419 -35.414 -14.322 219 HA ALA 26 HA ALA 26 11.980 -34.557 -13.654 220 1HB ALA 26 HB2 ALA 26 11.552 -36.603 -14.914 221 2HB ALA 26 HB3 ALA 26 11.033 -35.657 -16.309 222 3HB ALA 26 HB1 ALA 26 12.706 -35.587 -15.770 223 OH TYR 27 OH TYR 27 11.981 -33.186 -22.401 224 H TYR 27 HN TYR 27 9.938 -33.158 -16.301 225 HA TYR 27 HA TYR 27 11.808 -31.027 -16.761 226 1HB TYR 27 HB1 TYR 27 8.885 -31.370 -17.425 227 2HB TYR 27 HB2 TYR 27 9.724 -29.875 -17.770 228 HD1 TYR 27 HD1 TYR 27 9.426 -33.422 -18.697 229 HD2 TYR 27 HD2 TYR 27 11.573 -29.835 -19.452 230 HE1 TYR 27 HE1 TYR 27 10.335 -34.397 -20.762 231 HE2 TYR 27 HE2 TYR 27 12.487 -30.830 -21.517 232 HH TYR 27 HH TYR 27 11.652 -34.077 -22.526 233 NH1 ARG 28 NH1 ARG 28 10.131 -25.397 -9.269 234 NH2 ARG 28 NH2 ARG 28 10.968 -26.754 -7.792 235 H ARG 28 HN ARG 28 12.267 -30.713 -14.372 236 HA ARG 28 HA ARG 28 10.555 -29.125 -12.764 237 1HB ARG 28 HB1 ARG 28 12.379 -30.468 -11.928 238 2HB ARG 28 HB2 ARG 28 13.548 -29.513 -12.809 239 1HG ARG 28 HG1 ARG 28 13.717 -28.969 -10.501 240 2HG ARG 28 HG2 ARG 28 13.081 -27.581 -11.318 241 1HD ARG 28 HD1 ARG 28 10.958 -29.315 -10.214 242 2HD ARG 28 HD2 ARG 28 12.096 -28.749 -9.008 243 HE ARG 28 HE ARG 28 10.876 -26.800 -10.899 244 1HH1 ARG 28 HH12 ARG 28 10.020 -25.115 -10.234 245 2HH1 ARG 28 HH11 ARG 28 9.795 -24.810 -8.506 246 1HH2 ARG 28 HH22 ARG 28 11.502 -27.570 -7.526 247 2HH2 ARG 28 HH21 ARG 28 10.643 -26.104 -7.124 248 H ASN 29 HN ASN 29 9.722 -27.180 -13.596 249 HA ASN 29 HA ASN 29 11.515 -25.165 -14.625 250 1HB ASN 29 HB1 ASN 29 9.542 -23.650 -14.645 251 2HB ASN 29 HB2 ASN 29 9.373 -25.113 -15.589 252 1HD2 ASN 29 HD21 ASN 29 6.528 -24.287 -13.000 253 2HD2 ASN 29 HD22 ASN 29 7.947 -23.292 -12.915 254 H ASP 30 HN ASP 30 12.952 -24.329 -13.308 255 HA ASP 30 HA ASP 30 12.817 -24.316 -10.465 256 1HB ASP 30 HB1 ASP 30 14.872 -23.103 -12.339 257 2HB ASP 30 HB2 ASP 30 15.072 -23.292 -10.607 258 H ASP 31 HN ASP 31 10.762 -22.968 -10.796 259 HA ASP 31 HA ASP 31 11.401 -20.263 -9.760 260 1HB ASP 31 HB1 ASP 31 9.287 -19.436 -11.063 261 2HB ASP 31 HB2 ASP 31 10.805 -19.644 -11.915 262 H GLU 32 HN GLU 32 8.292 -21.984 -10.217 263 HA GLU 32 HA GLU 32 7.360 -21.367 -7.585 264 1HB GLU 32 HB1 GLU 32 5.382 -22.543 -8.261 265 2HB GLU 32 HB2 GLU 32 5.969 -21.609 -9.612 266 1HG GLU 32 HG1 GLU 32 6.980 -23.699 -10.599 267 2HG GLU 32 HG2 GLU 32 6.316 -24.627 -9.265 268 H THR 33 HN THR 33 6.170 -23.484 -6.413 269 HA THR 33 HA THR 33 8.390 -25.300 -5.720 270 HB THR 33 HB THR 33 7.149 -25.911 -3.690 271 HG1 THR 33 HG1 THR 33 5.278 -23.959 -4.628 272 1HG2 THR 33 HG23 THR 33 7.446 -22.921 -3.999 273 2HG2 THR 33 HG21 THR 33 7.334 -23.810 -2.486 274 3HG2 THR 33 HG22 THR 33 8.736 -24.034 -3.538 275 H CYS 34 HN CYS 34 8.106 -27.564 -5.549 276 HA CYS 34 HA CYS 34 6.899 -28.724 -7.813 277 1HB CYS 34 HB1 CYS 34 8.985 -29.531 -6.839 278 2HB CYS 34 HB2 CYS 34 8.166 -29.988 -5.360 279 H GLU 35 HN GLU 35 5.994 -29.080 -4.387 280 HA GLU 35 HA GLU 35 3.777 -30.815 -4.822 281 1HB GLU 35 HB1 GLU 35 4.421 -28.949 -2.486 282 2HB GLU 35 HB2 GLU 35 3.148 -30.146 -2.458 283 1HG GLU 35 HG1 GLU 35 4.997 -31.050 -1.230 284 2HG GLU 35 HG2 GLU 35 4.887 -31.951 -2.718 285 H GLU 36 HN GLU 36 3.912 -27.289 -4.653 286 HA GLU 36 HA GLU 36 1.159 -26.649 -4.891 287 1HB GLU 36 HB1 GLU 36 2.932 -25.106 -4.303 288 2HB GLU 36 HB2 GLU 36 3.778 -25.419 -5.788 289 1HG GLU 36 HG1 GLU 36 1.507 -24.275 -6.811 290 2HG GLU 36 HG2 GLU 36 1.551 -23.522 -5.234 291 NH1 ARG 37 NH1 ARG 37 7.883 -30.482 -12.077 292 NH2 ARG 37 NH2 ARG 37 7.747 -28.757 -13.407 293 H ARG 37 HN ARG 37 3.650 -26.967 -7.400 294 HA ARG 37 HA ARG 37 2.098 -26.876 -9.712 295 1HB ARG 37 HB1 ARG 37 4.617 -26.812 -9.474 296 2HB ARG 37 HB2 ARG 37 4.594 -28.543 -9.241 297 1HG ARG 37 HG1 ARG 37 3.806 -28.924 -11.485 298 2HG ARG 37 HG2 ARG 37 3.480 -27.219 -11.732 299 1HD ARG 37 HD1 ARG 37 5.444 -27.616 -12.918 300 2HD ARG 37 HD2 ARG 37 6.012 -26.856 -11.448 301 HE ARG 37 HE ARG 37 6.305 -29.401 -10.725 302 1HH1 ARG 37 HH12 ARG 37 7.621 -30.961 -11.255 303 2HH1 ARG 37 HH11 ARG 37 8.573 -30.852 -12.693 304 1HH2 ARG 37 HH22 ARG 37 7.425 -27.817 -13.596 305 2HH2 ARG 37 HH21 ARG 37 8.408 -29.201 -14.046 306 H ALA 38 HN ALA 38 3.109 -29.872 -7.965 307 HA ALA 38 HA ALA 38 1.180 -31.421 -9.426 308 1HB ALA 38 HB3 ALA 38 3.180 -32.136 -7.356 309 2HB ALA 38 HB1 ALA 38 2.071 -33.290 -8.140 310 3HB ALA 38 HB2 ALA 38 3.142 -32.325 -9.149 311 H ALA 39 HN ALA 39 0.650 -29.721 -6.346 312 HA ALA 39 HA ALA 39 -1.844 -30.925 -5.932 313 1HB ALA 39 HB2 ALA 39 -0.933 -29.212 -4.436 314 2HB ALA 39 HB3 ALA 39 -1.101 -27.992 -5.694 315 3HB ALA 39 HB1 ALA 39 -2.538 -28.736 -4.991 316 NH1 ARG 40 NH1 ARG 40 0.575 -22.676 -8.966 317 NH2 ARG 40 NH2 ARG 40 1.250 -24.412 -10.120 318 H ARG 40 HN ARG 40 -0.990 -28.431 -8.376 319 HA ARG 40 HA ARG 40 -3.575 -28.470 -9.621 320 1HB ARG 40 HB1 ARG 40 -0.944 -27.810 -10.947 321 2HB ARG 40 HB2 ARG 40 -2.546 -27.395 -11.541 322 1HG ARG 40 HG1 ARG 40 -2.847 -25.992 -9.428 323 2HG ARG 40 HG2 ARG 40 -1.159 -26.296 -9.066 324 1HD ARG 40 HD1 ARG 40 -0.737 -25.355 -11.497 325 2HD ARG 40 HD2 ARG 40 -2.345 -24.698 -11.322 326 HE ARG 40 HE ARG 40 -1.580 -23.356 -9.459 327 1HH1 ARG 40 HH12 ARG 40 -0.151 -22.085 -8.657 328 2HH1 ARG 40 HH11 ARG 40 1.538 -22.503 -8.713 329 1HH2 ARG 40 HH22 ARG 40 1.003 -25.218 -10.627 330 2HH2 ARG 40 HH21 ARG 40 2.235 -24.169 -9.960 331 H ILE 41 HN ILE 41 -0.672 -30.427 -10.500 332 HA ILE 41 HA ILE 41 -2.070 -32.002 -12.343 333 HB ILE 41 HB ILE 41 0.639 -32.775 -11.215 334 1HG1 ILE 41 HG11 ILE 41 0.805 -32.041 -13.894 335 2HG1 ILE 41 HG12 ILE 41 -0.356 -30.869 -13.261 336 1HG2 ILE 41 HG23 ILE 41 -0.925 -33.848 -13.450 337 2HG2 ILE 41 HG21 ILE 41 0.839 -34.040 -13.045 338 3HG2 ILE 41 HG22 ILE 41 -0.444 -34.705 -11.973 339 1HD1 ILE 41 HD12 ILE 41 2.121 -31.541 -11.774 340 2HD1 ILE 41 HD13 ILE 41 2.109 -30.253 -13.027 341 3HD1 ILE 41 HD11 ILE 41 1.106 -30.141 -11.575 342 H LYS 42 HN LYS 42 -3.662 -32.468 -11.650 343 HA LYS 42 HA LYS 42 -4.397 -34.182 -9.365 344 1HB LYS 42 HB1 LYS 42 -5.932 -32.344 -11.199 345 2HB LYS 42 HB2 LYS 42 -6.800 -33.539 -10.268 346 1HG LYS 42 HG1 LYS 42 -4.915 -31.577 -8.940 347 2HG LYS 42 HG2 LYS 42 -6.580 -31.163 -9.290 348 1HD LYS 42 HD1 LYS 42 -7.345 -33.111 -7.948 349 2HD LYS 42 HD2 LYS 42 -5.686 -33.503 -7.561 350 1HE LYS 42 HE1 LYS 42 -6.968 -30.858 -6.845 351 2HE LYS 42 HE2 LYS 42 -6.987 -32.259 -5.780 352 1HZ LYS 42 HZ2 LYS 42 -4.544 -32.316 -5.967 353 2HZ LYS 42 HZ3 LYS 42 -4.526 -30.860 -6.853 354 3HZ LYS 42 HZ1 LYS 42 -5.101 -30.887 -5.248 355 H ILE 43 HN ILE 43 -3.323 -35.320 -12.079 356 HA ILE 43 HA ILE 43 -5.497 -36.594 -13.394 357 HB ILE 43 HB ILE 43 -2.522 -37.123 -13.618 358 1HG1 ILE 43 HG11 ILE 43 -4.366 -35.595 -15.487 359 2HG1 ILE 43 HG12 ILE 43 -3.436 -34.805 -14.240 360 1HG2 ILE 43 HG23 ILE 43 -4.763 -38.055 -15.464 361 2HG2 ILE 43 HG21 ILE 43 -3.041 -38.240 -15.781 362 3HG2 ILE 43 HG22 ILE 43 -3.774 -39.101 -14.455 363 1HD1 ILE 43 HD12 ILE 43 -1.328 -35.590 -15.315 364 2HD1 ILE 43 HD13 ILE 43 -2.269 -36.325 -16.605 365 3HD1 ILE 43 HD11 ILE 43 -2.298 -34.585 -16.385 366 H GLY 44 HN GLY 44 -3.225 -37.984 -10.986 367 1HA GLY 44 HA1 GLY 44 -5.269 -39.598 -9.899 368 2HA GLY 44 HA2 GLY 44 -4.291 -40.600 -10.946 369 HA PRO 45 HA PRO 45 -2.498 -40.096 -6.375 370 1HB PRO 45 HB1 PRO 45 -3.207 -43.047 -6.468 371 2HB PRO 45 HB2 PRO 45 -3.111 -41.952 -5.077 372 1HG PRO 45 HG1 PRO 45 -5.491 -42.448 -6.085 373 2HG PRO 45 HG2 PRO 45 -5.071 -40.754 -5.756 374 1HD PRO 45 HD1 PRO 45 -4.988 -42.244 -8.401 375 2HD PRO 45 HD2 PRO 45 -5.677 -40.650 -8.025 376 H LYS 46 HN LYS 46 -2.032 -42.949 -8.454 377 HA LYS 46 HA LYS 46 0.747 -43.256 -7.925 378 1HB LYS 46 HB1 LYS 46 -1.055 -44.395 -10.066 379 2HB LYS 46 HB2 LYS 46 0.653 -44.781 -9.961 380 1HG LYS 46 HG1 LYS 46 0.324 -45.606 -7.636 381 2HG LYS 46 HG2 LYS 46 -1.390 -45.254 -7.755 382 1HD LYS 46 HD1 LYS 46 -1.658 -46.901 -9.532 383 2HD LYS 46 HD2 LYS 46 0.074 -47.195 -9.571 384 1HE LYS 46 HE1 LYS 46 -0.023 -47.995 -7.218 385 2HE LYS 46 HE2 LYS 46 -1.766 -47.734 -7.215 386 1HZ LYS 46 HZ2 LYS 46 -1.954 -49.250 -9.088 387 2HZ LYS 46 HZ3 LYS 46 -0.284 -49.508 -9.079 388 3HZ LYS 46 HZ1 LYS 46 -1.225 -50.030 -7.774 389 H CYS 47 HN CYS 47 -0.934 -41.228 -10.175 390 HA CYS 47 HA CYS 47 1.319 -40.585 -11.844 391 1HB CYS 47 HB1 CYS 47 -1.492 -39.989 -11.839 392 2HB CYS 47 HB2 CYS 47 -0.649 -38.465 -11.837 393 H VAL 48 HN VAL 48 -0.325 -38.428 -9.320 394 HA VAL 48 HA VAL 48 1.676 -36.844 -8.867 395 HB VAL 48 HB VAL 48 0.667 -37.724 -6.214 396 1HG1 VAL 48 HG12 VAL 48 1.664 -35.438 -6.830 397 2HG1 VAL 48 HG13 VAL 48 0.311 -35.291 -7.971 398 3HG1 VAL 48 HG11 VAL 48 0.009 -35.270 -6.227 399 1HG2 VAL 48 HG21 VAL 48 -1.191 -38.471 -7.343 400 2HG2 VAL 48 HG22 VAL 48 -1.572 -37.039 -6.376 401 3HG2 VAL 48 HG23 VAL 48 -1.440 -36.911 -8.134 402 H LYS 49 HN LYS 49 1.570 -40.083 -7.395 403 HA LYS 49 HA LYS 49 4.034 -39.974 -6.024 404 1HB LYS 49 HB1 LYS 49 2.229 -41.761 -5.876 405 2HB LYS 49 HB2 LYS 49 2.960 -42.484 -7.294 406 1HG LYS 49 HG1 LYS 49 5.189 -42.213 -5.726 407 2HG LYS 49 HG2 LYS 49 3.977 -42.285 -4.483 408 1HD LYS 49 HD1 LYS 49 3.586 -44.477 -4.740 409 2HD LYS 49 HD2 LYS 49 3.606 -44.421 -6.481 410 1HE LYS 49 HE1 LYS 49 6.012 -44.550 -4.640 411 2HE LYS 49 HE2 LYS 49 5.404 -45.843 -5.661 412 1HZ LYS 49 HZ2 LYS 49 5.883 -44.390 -7.675 413 2HZ LYS 49 HZ3 LYS 49 6.509 -43.253 -6.601 414 3HZ LYS 49 HZ1 LYS 49 7.328 -44.722 -6.752 415 H ALA 50 HN ALA 50 3.676 -41.310 -9.415 416 HA ALA 50 HA ALA 50 6.439 -41.542 -10.035 417 1HB ALA 50 HB3 ALA 50 4.634 -42.440 -11.446 418 2HB ALA 50 HB1 ALA 50 4.165 -40.821 -11.908 419 3HB ALA 50 HB2 ALA 50 5.712 -41.479 -12.433 420 H PHE 51 HN PHE 51 4.274 -38.735 -10.442 421 HA PHE 51 HA PHE 51 6.034 -36.801 -11.383 422 1HB PHE 51 HB1 PHE 51 3.470 -36.725 -10.898 423 2HB PHE 51 HB2 PHE 51 3.911 -36.240 -9.282 424 HD1 PHE 51 HD1 PHE 51 5.558 -34.065 -9.159 425 HD2 PHE 51 HD2 PHE 51 2.976 -34.978 -12.409 426 HE1 PHE 51 HE1 PHE 51 5.954 -31.864 -10.100 427 HE2 PHE 51 HE2 PHE 51 3.287 -32.829 -13.280 428 HZ PHE 51 HZ PHE 51 4.931 -31.241 -12.262 429 H LYS 52 HN LYS 52 5.244 -37.283 -7.873 430 HA LYS 52 HA LYS 52 7.171 -35.484 -6.935 431 1HB LYS 52 HB1 LYS 52 5.294 -36.121 -5.581 432 2HB LYS 52 HB2 LYS 52 5.775 -37.797 -5.581 433 1HG LYS 52 HG1 LYS 52 6.195 -36.778 -3.407 434 2HG LYS 52 HG2 LYS 52 7.702 -37.280 -4.132 435 1HD LYS 52 HD1 LYS 52 8.105 -34.882 -4.818 436 2HD LYS 52 HD2 LYS 52 6.645 -34.434 -3.948 437 1HE LYS 52 HE1 LYS 52 7.601 -35.202 -1.851 438 2HE LYS 52 HE2 LYS 52 9.010 -35.859 -2.687 439 1HZ LYS 52 HZ1 LYS 52 9.479 -33.606 -3.504 440 2HZ LYS 52 HZ2 LYS 52 8.186 -32.928 -2.627 441 3HZ LYS 52 HZ3 LYS 52 9.505 -33.654 -1.814 442 H ASP 53 HN ASP 53 7.554 -39.040 -7.429 443 HA ASP 53 HA ASP 53 10.164 -39.216 -6.338 444 1HB ASP 53 HB1 ASP 53 8.594 -41.123 -6.938 445 2HB ASP 53 HB2 ASP 53 9.045 -40.895 -8.619 446 H CYS 54 HN CYS 54 9.334 -38.935 -9.872 447 HA CYS 54 HA CYS 54 11.903 -38.258 -10.747 448 1HB CYS 54 HB1 CYS 54 9.138 -37.840 -11.780 449 2HB CYS 54 HB2 CYS 54 10.430 -36.975 -12.563 450 H CYS 55 HN CYS 55 9.344 -35.942 -9.681 451 HA CYS 55 HA CYS 55 10.778 -33.563 -10.169 452 1HB CYS 55 HB1 CYS 55 8.316 -33.868 -9.672 453 2HB CYS 55 HB2 CYS 55 8.744 -34.022 -7.994 454 OH TYR 56 OH TYR 56 16.921 -36.618 -2.060 455 H TYR 56 HN TYR 56 10.691 -35.520 -7.102 456 HA TYR 56 HA TYR 56 12.575 -33.954 -5.733 457 1HB TYR 56 HB1 TYR 56 11.307 -35.579 -4.504 458 2HB TYR 56 HB2 TYR 56 11.889 -36.893 -5.503 459 HD1 TYR 56 HD1 TYR 56 13.475 -34.114 -3.463 460 HD2 TYR 56 HD2 TYR 56 13.479 -38.251 -4.431 461 HE1 TYR 56 HE1 TYR 56 15.573 -34.406 -2.224 462 HE2 TYR 56 HE2 TYR 56 15.575 -38.530 -3.147 463 HH TYR 56 HH TYR 56 17.343 -35.735 -2.018 464 H ILE 57 HN ILE 57 13.302 -36.836 -7.843 465 HA ILE 57 HA ILE 57 16.115 -36.559 -7.611 466 HB ILE 57 HB ILE 57 14.748 -37.580 -10.099 467 1HG1 ILE 57 HG11 ILE 57 13.731 -38.921 -8.469 468 2HG1 ILE 57 HG12 ILE 57 15.004 -39.892 -9.166 469 1HG2 ILE 57 HG21 ILE 57 17.489 -38.193 -8.939 470 2HG2 ILE 57 HG22 ILE 57 16.784 -39.003 -10.332 471 3HG2 ILE 57 HG23 ILE 57 17.155 -37.291 -10.408 472 1HD1 ILE 57 HD12 ILE 57 16.429 -39.418 -7.166 473 2HD1 ILE 57 HD13 ILE 57 15.103 -38.464 -6.504 474 3HD1 ILE 57 HD11 ILE 57 14.905 -40.200 -6.736 475 H ALA 58 HN ALA 58 13.989 -35.203 -10.036 476 HA ALA 58 HA ALA 58 15.781 -33.597 -11.548 477 1HB ALA 58 HB1 ALA 58 13.518 -34.025 -12.221 478 2HB ALA 58 HB2 ALA 58 12.904 -33.036 -10.902 479 3HB ALA 58 HB3 ALA 58 13.856 -32.301 -12.194 480 H ASN 59 HN ASN 59 13.884 -32.492 -8.662 481 HA ASN 59 HA ASN 59 15.114 -29.948 -8.534 482 1HB ASN 59 HB1 ASN 59 12.944 -30.989 -7.357 483 2HB ASN 59 HB2 ASN 59 14.054 -31.243 -6.030 484 1HD2 ASN 59 HD21 ASN 59 14.410 -27.787 -5.348 485 2HD2 ASN 59 HD22 ASN 59 15.606 -28.841 -6.040 486 H GLN 60 HN GLN 60 16.086 -32.999 -6.899 487 HA GLN 60 HA GLN 60 18.279 -31.894 -5.463 488 1HB GLN 60 HB1 GLN 60 17.112 -34.186 -5.214 489 2HB GLN 60 HB2 GLN 60 18.096 -34.719 -6.549 490 1HG GLN 60 HG1 GLN 60 19.270 -35.462 -4.637 491 2HG GLN 60 HG2 GLN 60 20.150 -34.020 -5.104 492 1HE2 GLN 60 HE21 GLN 60 19.445 -32.446 -2.014 493 2HE2 GLN 60 HE22 GLN 60 20.352 -32.350 -3.505 494 H VAL 61 HN VAL 61 18.241 -33.476 -8.717 495 HA VAL 61 HA VAL 61 20.967 -32.940 -9.311 496 HB VAL 61 HB VAL 61 18.614 -33.536 -11.108 497 1HG1 VAL 61 HG12 VAL 61 21.546 -33.466 -11.929 498 2HG1 VAL 61 HG13 VAL 61 20.223 -34.089 -12.910 499 3HG1 VAL 61 HG11 VAL 61 20.298 -32.380 -12.526 500 1HG2 VAL 61 HG23 VAL 61 20.965 -35.234 -10.187 501 2HG2 VAL 61 HG21 VAL 61 19.296 -35.379 -9.640 502 3HG2 VAL 61 HG22 VAL 61 19.709 -35.758 -11.305 503 NH1 ARG 62 NH1 ARG 62 17.639 -25.052 -14.528 504 NH2 ARG 62 NH2 ARG 62 19.387 -26.310 -14.936 505 H ARG 62 HN ARG 62 18.054 -30.931 -10.153 506 HA ARG 62 HA ARG 62 19.632 -28.886 -11.304 507 1HB ARG 62 HB1 ARG 62 16.818 -28.816 -10.247 508 2HB ARG 62 HB2 ARG 62 17.582 -27.434 -11.002 509 1HG ARG 62 HG1 ARG 62 17.256 -30.126 -12.372 510 2HG ARG 62 HG2 ARG 62 16.118 -28.808 -12.525 511 1HD ARG 62 HD1 ARG 62 19.025 -28.574 -13.365 512 2HD ARG 62 HD2 ARG 62 17.717 -29.023 -14.448 513 HE ARG 62 HE ARG 62 16.778 -26.699 -13.283 514 1HH1 ARG 62 HH12 ARG 62 16.746 -25.006 -14.060 515 2HH1 ARG 62 HH11 ARG 62 18.039 -24.302 -15.029 516 1HH2 ARG 62 HH22 ARG 62 19.897 -27.159 -14.799 517 2HH2 ARG 62 HH21 ARG 62 19.769 -25.564 -15.457 518 H ALA 63 HN ALA 63 18.796 -29.280 -7.841 519 HA ALA 63 HA ALA 63 20.156 -26.910 -7.048 520 1HB ALA 63 HB1 ALA 63 18.660 -28.121 -5.536 521 2HB ALA 63 HB2 ALA 63 19.732 -29.516 -5.548 522 3HB ALA 63 HB3 ALA 63 20.267 -28.003 -4.823 523 H GLU 64 HN GLU 64 21.455 -30.296 -7.179 524 HA GLU 64 HA GLU 64 24.128 -29.326 -6.644 525 1HB GLU 64 HB1 GLU 64 22.895 -32.024 -6.991 526 2HB GLU 64 HB2 GLU 64 24.626 -31.873 -7.170 527 1HG GLU 64 HG1 GLU 64 24.116 -32.503 -4.863 528 2HG GLU 64 HG2 GLU 64 24.772 -30.879 -4.867 529 H GLN 65 HN GLN 65 23.775 -27.889 -8.651 530 HA GLN 65 HA GLN 65 25.168 -29.141 -10.952 531 1HB GLN 65 HB1 GLN 65 23.447 -26.662 -10.788 532 2HB GLN 65 HB2 GLN 65 24.473 -26.993 -12.172 533 1HG GLN 65 HG1 GLN 65 23.267 -29.089 -12.632 534 2HG GLN 65 HG2 GLN 65 22.277 -28.883 -11.202 535 1HE2 GLN 65 HE21 GLN 65 20.352 -26.250 -12.829 536 2HE2 GLN 65 HE22 GLN 65 20.955 -26.642 -11.247 Start of MODEL 38 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 21.181 -41.591 -10.402 2 2H MET 1 HT3 MET 1 22.821 -41.490 -9.953 3 3H MET 1 HT2 MET 1 22.221 -42.911 -10.652 4 HA MET 1 HA MET 1 22.464 -43.329 -8.383 5 1HB MET 1 HB1 MET 1 21.147 -40.639 -8.059 6 2HB MET 1 HB2 MET 1 21.096 -41.811 -6.766 7 1HG MET 1 HG1 MET 1 22.875 -40.371 -6.249 8 2HG MET 1 HG2 MET 1 23.614 -41.856 -6.784 9 1HE MET 1 HE2 MET 1 25.107 -42.125 -8.868 10 2HE MET 1 HE3 MET 1 26.086 -40.741 -9.312 11 3HE MET 1 HE1 MET 1 26.026 -41.244 -7.631 12 H LEU 2 HN LEU 2 19.222 -41.830 -8.736 13 HA LEU 2 HA LEU 2 18.048 -44.531 -8.423 14 1HB LEU 2 HB1 LEU 2 16.961 -41.814 -7.620 15 2HB LEU 2 HB2 LEU 2 16.071 -43.308 -7.476 16 HG LEU 2 HG LEU 2 18.675 -42.765 -6.016 17 1HD1 LEU 2 HD12 LEU 2 15.811 -42.519 -5.028 18 2HD1 LEU 2 HD13 LEU 2 17.253 -42.370 -4.030 19 3HD1 LEU 2 HD11 LEU 2 16.931 -41.185 -5.288 20 1HD2 LEU 2 HD22 LEU 2 16.549 -44.895 -5.571 21 2HD2 LEU 2 HD23 LEU 2 18.157 -45.180 -6.231 22 3HD2 LEU 2 HD21 LEU 2 17.975 -44.643 -4.572 23 H GLN 3 HN GLN 3 18.645 -42.635 -10.920 24 HA GLN 3 HA GLN 3 16.280 -41.991 -12.216 25 1HB GLN 3 HB1 GLN 3 19.057 -42.582 -13.231 26 2HB GLN 3 HB2 GLN 3 17.765 -42.127 -14.316 27 1HG GLN 3 HG1 GLN 3 19.013 -40.142 -13.850 28 2HG GLN 3 HG2 GLN 3 17.478 -39.987 -13.032 29 1HE2 GLN 3 HE21 GLN 3 19.533 -38.791 -10.387 30 2HE2 GLN 3 HE22 GLN 3 18.521 -38.325 -11.720 31 H LYS 4 HN LYS 4 17.977 -45.150 -12.492 32 HA LYS 4 HA LYS 4 15.946 -46.146 -14.245 33 1HB LYS 4 HB1 LYS 4 18.234 -47.552 -12.896 34 2HB LYS 4 HB2 LYS 4 17.046 -48.403 -13.863 35 1HG LYS 4 HG1 LYS 4 18.692 -46.070 -14.917 36 2HG LYS 4 HG2 LYS 4 19.157 -47.747 -15.104 37 1HD LYS 4 HD1 LYS 4 17.184 -48.209 -16.462 38 2HD LYS 4 HD2 LYS 4 16.558 -46.592 -16.204 39 1HE LYS 4 HE1 LYS 4 18.533 -45.646 -17.359 40 2HE LYS 4 HE2 LYS 4 19.085 -47.286 -17.702 41 1HZ LYS 4 HZ1 LYS 4 16.947 -47.698 -18.805 42 2HZ LYS 4 HZ2 LYS 4 16.419 -46.095 -18.573 43 3HZ LYS 4 HZ3 LYS 4 17.772 -46.427 -19.547 44 H LYS 5 HN LYS 5 16.196 -46.303 -10.716 45 HA LYS 5 HA LYS 5 13.900 -47.930 -10.287 46 1HB LYS 5 HB1 LYS 5 15.485 -47.264 -8.487 47 2HB LYS 5 HB2 LYS 5 14.935 -45.607 -8.618 48 1HG LYS 5 HG1 LYS 5 12.565 -47.148 -8.208 49 2HG LYS 5 HG2 LYS 5 13.765 -47.874 -7.178 50 1HD LYS 5 HD1 LYS 5 14.143 -45.853 -5.963 51 2HD LYS 5 HD2 LYS 5 13.259 -44.885 -7.126 52 1HE LYS 5 HE1 LYS 5 11.927 -47.094 -5.537 53 2HE LYS 5 HE2 LYS 5 12.075 -45.453 -4.921 54 1HZ LYS 5 HZ1 LYS 5 11.065 -45.830 -7.634 55 2HZ LYS 5 HZ2 LYS 5 9.979 -46.140 -6.371 56 3HZ LYS 5 HZ3 LYS 5 10.639 -44.582 -6.561 57 H ILE 6 HN ILE 6 14.253 -44.416 -10.676 58 HA ILE 6 HA ILE 6 11.529 -43.731 -10.922 59 HB ILE 6 HB ILE 6 14.080 -42.455 -11.478 60 1HG1 ILE 6 HG11 ILE 6 12.722 -40.513 -10.528 61 2HG1 ILE 6 HG12 ILE 6 11.440 -41.649 -10.324 62 1HG2 ILE 6 HG23 ILE 6 11.752 -41.432 -13.153 63 2HG2 ILE 6 HG21 ILE 6 13.223 -40.547 -12.808 64 3HG2 ILE 6 HG22 ILE 6 13.298 -42.027 -13.738 65 1HD1 ILE 6 HD12 ILE 6 14.196 -41.904 -9.056 66 2HD1 ILE 6 HD13 ILE 6 12.745 -41.347 -8.232 67 3HD1 ILE 6 HD11 ILE 6 12.855 -43.011 -8.791 68 H GLU 7 HN GLU 7 13.672 -44.725 -13.721 69 HA GLU 7 HA GLU 7 11.482 -44.818 -15.489 70 1HB GLU 7 HB1 GLU 7 14.059 -46.352 -15.535 71 2HB GLU 7 HB2 GLU 7 12.825 -46.588 -16.754 72 1HG GLU 7 HG1 GLU 7 13.051 -43.806 -16.745 73 2HG GLU 7 HG2 GLU 7 14.696 -44.298 -16.377 74 H GLU 8 HN GLU 8 12.626 -47.482 -13.408 75 HA GLU 8 HA GLU 8 10.861 -49.506 -14.136 76 1HB GLU 8 HB1 GLU 8 12.835 -49.546 -12.538 77 2HB GLU 8 HB2 GLU 8 11.827 -48.761 -11.346 78 1HG GLU 8 HG1 GLU 8 10.284 -50.857 -11.527 79 2HG GLU 8 HG2 GLU 8 11.606 -51.597 -12.408 80 H GLU 9 HN GLU 9 10.174 -46.924 -11.753 81 HA GLU 9 HA GLU 9 7.260 -47.236 -12.290 82 1HB GLU 9 HB1 GLU 9 6.842 -47.227 -9.788 83 2HB GLU 9 HB2 GLU 9 7.675 -48.667 -10.328 84 1HG GLU 9 HG1 GLU 9 9.811 -47.860 -9.459 85 2HG GLU 9 HG2 GLU 9 9.098 -46.309 -9.046 86 H ALA 10 HN ALA 10 9.128 -44.475 -12.800 87 HA ALA 10 HA ALA 10 6.458 -44.024 -13.506 88 1HB ALA 10 HB2 ALA 10 9.102 -44.521 -14.980 89 2HB ALA 10 HB3 ALA 10 7.738 -43.801 -15.755 90 3HB ALA 10 HB1 ALA 10 8.508 -42.962 -14.437 91 H ALA 11 HN ALA 11 8.282 -46.922 -14.813 92 HA ALA 11 HA ALA 11 6.125 -47.539 -16.521 93 1HB ALA 11 HB3 ALA 11 8.496 -49.226 -15.659 94 2HB ALA 11 HB1 ALA 11 7.414 -49.640 -16.992 95 3HB ALA 11 HB2 ALA 11 8.397 -48.180 -17.069 96 H LYS 12 HN LYS 12 6.904 -49.225 -13.470 97 HA LYS 12 HA LYS 12 5.303 -51.425 -13.545 98 1HB LYS 12 HB1 LYS 12 7.033 -50.512 -11.911 99 2HB LYS 12 HB2 LYS 12 5.716 -49.694 -11.111 100 1HG LYS 12 HG1 LYS 12 4.680 -51.867 -10.547 101 2HG LYS 12 HG2 LYS 12 6.004 -52.704 -11.339 102 1HD LYS 12 HD1 LYS 12 6.403 -50.779 -9.010 103 2HD LYS 12 HD2 LYS 12 6.214 -52.508 -8.806 104 1HE LYS 12 HE1 LYS 12 8.239 -52.987 -9.941 105 2HE LYS 12 HE2 LYS 12 8.386 -51.364 -10.579 106 1HZ LYS 12 HZ2 LYS 12 8.574 -50.542 -8.182 107 2HZ LYS 12 HZ3 LYS 12 8.693 -52.188 -7.753 108 3HZ LYS 12 HZ1 LYS 12 9.879 -51.478 -8.784 109 OH TYR 13 OH TYR 13 5.486 -45.296 -8.892 110 H TYR 13 HN TYR 13 3.676 -48.458 -13.792 111 HA TYR 13 HA TYR 13 1.414 -49.215 -12.091 112 1HB TYR 13 HB1 TYR 13 1.934 -46.663 -13.664 113 2HB TYR 13 HB2 TYR 13 0.731 -46.880 -12.409 114 HD1 TYR 13 HD1 TYR 13 1.865 -47.723 -10.035 115 HD2 TYR 13 HD2 TYR 13 3.996 -45.553 -13.065 116 HE1 TYR 13 HE1 TYR 13 3.458 -46.880 -8.362 117 HE2 TYR 13 HE2 TYR 13 5.386 -44.620 -11.353 118 HH TYR 13 HH TYR 13 6.172 -44.824 -9.411 119 H LYS 14 HN LYS 14 0.297 -47.345 -14.744 120 HA LYS 14 HA LYS 14 -0.096 -49.723 -16.447 121 1HB LYS 14 HB1 LYS 14 -1.724 -47.184 -16.585 122 2HB LYS 14 HB2 LYS 14 -1.888 -48.599 -17.589 123 1HG LYS 14 HG1 LYS 14 -2.354 -48.612 -14.592 124 2HG LYS 14 HG2 LYS 14 -3.624 -48.388 -15.780 125 1HD LYS 14 HD1 LYS 14 -3.099 -50.633 -16.734 126 2HD LYS 14 HD2 LYS 14 -1.883 -50.863 -15.483 127 1HE LYS 14 HE1 LYS 14 -3.615 -50.673 -13.741 128 2HE LYS 14 HE2 LYS 14 -4.845 -50.440 -14.987 129 1HZ LYS 14 HZ1 LYS 14 -3.043 -52.787 -14.754 130 2HZ LYS 14 HZ2 LYS 14 -4.683 -52.781 -14.326 131 3HZ LYS 14 HZ3 LYS 14 -4.222 -52.567 -15.940 132 OH TYR 15 OH TYR 15 4.208 -54.145 -17.490 133 H TYR 15 HN TYR 15 2.328 -48.705 -16.364 134 HA TYR 15 HA TYR 15 4.096 -47.982 -17.476 135 1HB TYR 15 HB1 TYR 15 2.437 -48.785 -19.875 136 2HB TYR 15 HB2 TYR 15 4.168 -48.512 -19.902 137 HD1 TYR 15 HD1 TYR 15 5.696 -50.156 -18.891 138 HD2 TYR 15 HD2 TYR 15 1.495 -50.730 -18.620 139 HE1 TYR 15 HE1 TYR 15 6.051 -52.468 -18.099 140 HE2 TYR 15 HE2 TYR 15 1.863 -53.032 -17.842 141 HH TYR 15 HH TYR 15 3.371 -54.578 -17.320 142 H ALA 16 HN ALA 16 1.876 -46.672 -19.875 143 HA ALA 16 HA ALA 16 3.992 -44.855 -20.604 144 1HB ALA 16 HB1 ALA 16 2.725 -46.036 -22.298 145 2HB ALA 16 HB2 ALA 16 1.227 -45.272 -21.779 146 3HB ALA 16 HB3 ALA 16 2.504 -44.305 -22.511 147 H MET 17 HN MET 17 0.655 -44.203 -19.581 148 HA MET 17 HA MET 17 0.917 -41.347 -19.723 149 1HB MET 17 HB1 MET 17 -1.197 -42.583 -20.090 150 2HB MET 17 HB2 MET 17 -1.226 -43.047 -18.404 151 1HG MET 17 HG1 MET 17 -1.426 -40.657 -17.748 152 2HG MET 17 HG2 MET 17 -1.364 -40.187 -19.433 153 1HE MET 17 HE1 MET 17 -3.248 -41.215 -21.245 154 2HE MET 17 HE2 MET 17 -4.843 -40.685 -20.742 155 3HE MET 17 HE3 MET 17 -3.498 -39.562 -20.641 156 H LEU 18 HN LEU 18 1.204 -43.695 -17.070 157 HA LEU 18 HA LEU 18 1.484 -41.735 -15.024 158 1HB LEU 18 HB1 LEU 18 1.977 -44.719 -15.144 159 2HB LEU 18 HB2 LEU 18 2.043 -43.765 -13.682 160 HG LEU 18 HG LEU 18 0.047 -44.931 -13.711 161 1HD1 LEU 18 HD12 LEU 18 -0.135 -42.715 -12.774 162 2HD1 LEU 18 HD13 LEU 18 -0.562 -42.035 -14.337 163 3HD1 LEU 18 HD11 LEU 18 -1.673 -43.135 -13.521 164 1HD2 LEU 18 HD23 LEU 18 -0.398 -45.450 -16.016 165 2HD2 LEU 18 HD21 LEU 18 -1.820 -44.769 -15.232 166 3HD2 LEU 18 HD22 LEU 18 -0.867 -43.780 -16.314 167 H LYS 19 HN LYS 19 4.170 -44.064 -16.232 168 HA LYS 19 HA LYS 19 6.139 -42.435 -15.794 169 1HB LYS 19 HB1 LYS 19 6.084 -44.495 -17.333 170 2HB LYS 19 HB2 LYS 19 5.349 -43.545 -18.585 171 1HG LYS 19 HG1 LYS 19 7.391 -42.487 -19.182 172 2HG LYS 19 HG2 LYS 19 8.193 -42.973 -17.700 173 1HD LYS 19 HD1 LYS 19 7.886 -45.390 -18.432 174 2HD LYS 19 HD2 LYS 19 7.253 -44.795 -19.945 175 1HE LYS 19 HE1 LYS 19 9.499 -45.478 -20.322 176 2HE LYS 19 HE2 LYS 19 9.460 -43.725 -20.407 177 1HZ LYS 19 HZ2 LYS 19 10.121 -45.155 -17.902 178 2HZ LYS 19 HZ3 LYS 19 11.361 -44.743 -19.002 179 3HZ LYS 19 HZ1 LYS 19 10.463 -43.520 -18.282 180 H LYS 20 HN LYS 20 3.964 -41.330 -18.532 181 HA LYS 20 HA LYS 20 5.366 -38.916 -18.874 182 1HB LYS 20 HB1 LYS 20 3.701 -39.742 -20.457 183 2HB LYS 20 HB2 LYS 20 2.429 -39.574 -19.271 184 1HG LYS 20 HG1 LYS 20 2.214 -37.812 -20.869 185 2HG LYS 20 HG2 LYS 20 2.662 -37.115 -19.340 186 1HD LYS 20 HD1 LYS 20 5.153 -37.413 -20.569 187 2HD LYS 20 HD2 LYS 20 4.098 -37.138 -21.938 188 1HE LYS 20 HE1 LYS 20 4.772 -34.979 -21.297 189 2HE LYS 20 HE2 LYS 20 3.154 -35.137 -20.623 190 1HZ LYS 20 HZ2 LYS 20 4.535 -36.139 -18.577 191 2HZ LYS 20 HZ3 LYS 20 5.737 -35.139 -19.237 192 3HZ LYS 20 HZ1 LYS 20 4.241 -34.490 -18.701 193 H CYS 21 HN CYS 21 2.720 -39.543 -16.399 194 HA CYS 21 HA CYS 21 2.780 -37.064 -15.126 195 1HB CYS 21 HB1 CYS 21 2.462 -39.848 -14.021 196 2HB CYS 21 HB2 CYS 21 2.346 -38.437 -13.004 197 H CYS 22 HN CYS 22 4.981 -39.808 -14.407 198 HA CYS 22 HA CYS 22 7.006 -38.595 -12.833 199 1HB CYS 22 HB1 CYS 22 6.772 -40.974 -13.842 200 2HB CYS 22 HB2 CYS 22 7.842 -40.309 -15.017 201 OH TYR 23 OH TYR 23 11.271 -42.076 -18.323 202 H TYR 23 HN TYR 23 6.806 -38.380 -16.311 203 HA TYR 23 HA TYR 23 9.013 -36.582 -16.269 204 1HB TYR 23 HB1 TYR 23 7.234 -37.428 -18.497 205 2HB TYR 23 HB2 TYR 23 8.768 -36.589 -18.658 206 HD1 TYR 23 HD1 TYR 23 9.258 -39.021 -15.790 207 HD2 TYR 23 HD2 TYR 23 8.578 -38.901 -20.035 208 HE1 TYR 23 HE1 TYR 23 10.756 -40.861 -16.118 209 HE2 TYR 23 HE2 TYR 23 10.089 -40.839 -20.298 210 HH TYR 23 HH TYR 23 11.481 -42.212 -19.256 211 H ASP 24 HN ASP 24 5.580 -35.856 -16.243 212 HA ASP 24 HA ASP 24 5.769 -33.014 -16.204 213 1HB ASP 24 HB1 ASP 24 3.919 -34.713 -14.476 214 2HB ASP 24 HB2 ASP 24 3.792 -32.997 -14.771 215 H GLY 25 HN GLY 25 6.231 -35.281 -13.467 216 1HA GLY 25 HA1 GLY 25 7.165 -33.372 -11.590 217 2HA GLY 25 HA2 GLY 25 7.549 -35.074 -11.554 218 H ALA 26 HN ALA 26 9.118 -35.384 -13.760 219 HA ALA 26 HA ALA 26 11.662 -34.415 -13.024 220 1HB ALA 26 HB1 ALA 26 11.370 -36.470 -14.319 221 2HB ALA 26 HB2 ALA 26 10.803 -35.539 -15.704 222 3HB ALA 26 HB3 ALA 26 12.462 -35.369 -15.148 223 OH TYR 27 OH TYR 27 8.768 -25.385 -18.263 224 H TYR 27 HN TYR 27 9.538 -33.104 -15.666 225 HA TYR 27 HA TYR 27 11.210 -30.833 -16.105 226 1HB TYR 27 HB1 TYR 27 9.470 -31.465 -17.699 227 2HB TYR 27 HB2 TYR 27 8.227 -31.229 -16.488 228 HD1 TYR 27 HD1 TYR 27 7.184 -29.113 -16.299 229 HD2 TYR 27 HD2 TYR 27 10.920 -29.319 -18.314 230 HE1 TYR 27 HE1 TYR 27 6.994 -26.740 -16.892 231 HE2 TYR 27 HE2 TYR 27 10.723 -26.929 -18.890 232 HH TYR 27 HH TYR 27 7.944 -25.025 -17.933 233 NH1 ARG 28 NH1 ARG 28 11.050 -27.225 -5.829 234 NH2 ARG 28 NH2 ARG 28 12.273 -29.021 -6.166 235 H ARG 28 HN ARG 28 11.904 -30.191 -13.933 236 HA ARG 28 HA ARG 28 9.912 -28.322 -12.753 237 1HB ARG 28 HB1 ARG 28 10.714 -30.278 -11.347 238 2HB ARG 28 HB2 ARG 28 12.310 -29.550 -11.373 239 1HG ARG 28 HG1 ARG 28 11.298 -27.473 -10.292 240 2HG ARG 28 HG2 ARG 28 9.786 -28.360 -10.172 241 1HD ARG 28 HD1 ARG 28 10.820 -30.013 -8.721 242 2HD ARG 28 HD2 ARG 28 12.396 -29.232 -8.935 243 HE ARG 28 HE ARG 28 10.391 -27.360 -7.977 244 1HH1 ARG 28 HH12 ARG 28 10.397 -26.566 -6.239 245 2HH1 ARG 28 HH11 ARG 28 11.366 -27.175 -4.895 246 1HH2 ARG 28 HH22 ARG 28 12.551 -29.723 -6.801 247 2HH2 ARG 28 HH21 ARG 28 12.616 -29.012 -5.232 248 H ASN 29 HN ASN 29 10.348 -26.170 -13.010 249 HA ASN 29 HA ASN 29 13.177 -25.310 -13.032 250 1HB ASN 29 HB1 ASN 29 12.444 -23.093 -13.679 251 2HB ASN 29 HB2 ASN 29 11.750 -24.296 -14.741 252 1HD2 ASN 29 HD21 ASN 29 9.018 -23.041 -14.877 253 2HD2 ASN 29 HD22 ASN 29 9.029 -24.626 -14.145 254 H ASP 30 HN ASP 30 13.587 -23.208 -11.761 255 HA ASP 30 HA ASP 30 13.782 -23.876 -9.061 256 1HB ASP 30 HB1 ASP 30 14.090 -21.123 -10.340 257 2HB ASP 30 HB2 ASP 30 14.783 -21.636 -8.808 258 H ASP 31 HN ASP 31 11.171 -22.054 -10.534 259 HA ASP 31 HA ASP 31 10.249 -20.914 -8.016 260 1HB ASP 31 HB1 ASP 31 9.048 -20.931 -10.818 261 2HB ASP 31 HB2 ASP 31 8.412 -20.006 -9.458 262 H GLU 32 HN GLU 32 9.563 -23.806 -9.808 263 HA GLU 32 HA GLU 32 6.902 -24.292 -8.843 264 1HB GLU 32 HB1 GLU 32 8.973 -25.970 -10.260 265 2HB GLU 32 HB2 GLU 32 7.395 -26.605 -9.841 266 1HG GLU 32 HG1 GLU 32 6.314 -24.839 -11.250 267 2HG GLU 32 HG2 GLU 32 7.896 -24.183 -11.643 268 H THR 33 HN THR 33 6.192 -25.380 -7.036 269 HA THR 33 HA THR 33 8.169 -26.921 -5.447 270 HB THR 33 HB THR 33 5.724 -25.436 -4.455 271 HG1 THR 33 HG1 THR 33 7.685 -24.218 -4.925 272 1HG2 THR 33 HG22 THR 33 7.851 -26.903 -2.864 273 2HG2 THR 33 HG23 THR 33 6.539 -25.940 -2.213 274 3HG2 THR 33 HG21 THR 33 6.183 -27.470 -3.012 275 H CYS 34 HN CYS 34 7.660 -29.071 -4.924 276 HA CYS 34 HA CYS 34 6.468 -30.430 -7.027 277 1HB CYS 34 HB1 CYS 34 7.345 -31.390 -4.291 278 2HB CYS 34 HB2 CYS 34 6.870 -32.473 -5.580 279 H GLU 35 HN GLU 35 5.308 -30.426 -3.699 280 HA GLU 35 HA GLU 35 2.878 -31.836 -4.473 281 1HB GLU 35 HB1 GLU 35 2.249 -31.753 -2.040 282 2HB GLU 35 HB2 GLU 35 3.623 -32.717 -2.495 283 1HG GLU 35 HG1 GLU 35 3.911 -29.939 -1.265 284 2HG GLU 35 HG2 GLU 35 3.863 -31.413 -0.313 285 H GLU 36 HN GLU 36 3.633 -28.509 -4.100 286 HA GLU 36 HA GLU 36 0.953 -27.497 -3.887 287 1HB GLU 36 HB1 GLU 36 2.690 -26.010 -3.355 288 2HB GLU 36 HB2 GLU 36 3.637 -26.440 -4.753 289 1HG GLU 36 HG1 GLU 36 1.075 -24.920 -5.218 290 2HG GLU 36 HG2 GLU 36 2.451 -24.064 -4.559 291 NH1 ARG 37 NH1 ARG 37 7.893 -30.817 -10.879 292 NH2 ARG 37 NH2 ARG 37 7.118 -29.332 -12.276 293 H ARG 37 HN ARG 37 3.118 -27.845 -6.699 294 HA ARG 37 HA ARG 37 1.007 -27.528 -8.586 295 1HB ARG 37 HB1 ARG 37 2.530 -28.103 -10.319 296 2HB ARG 37 HB2 ARG 37 3.230 -26.933 -9.223 297 1HG ARG 37 HG1 ARG 37 4.673 -28.610 -8.232 298 2HG ARG 37 HG2 ARG 37 3.912 -29.893 -9.162 299 1HD ARG 37 HD1 ARG 37 4.632 -28.791 -11.252 300 2HD ARG 37 HD2 ARG 37 5.462 -27.562 -10.307 301 HE ARG 37 HE ARG 37 6.511 -29.855 -9.284 302 1HH1 ARG 37 HH12 ARG 37 7.916 -31.230 -9.983 303 2HH1 ARG 37 HH11 ARG 37 8.501 -31.135 -11.606 304 1HH2 ARG 37 HH22 ARG 37 6.546 -28.535 -12.483 305 2HH2 ARG 37 HH21 ARG 37 7.762 -29.695 -12.986 306 H ALA 38 HN ALA 38 2.481 -30.598 -7.266 307 HA ALA 38 HA ALA 38 0.407 -32.023 -8.688 308 1HB ALA 38 HB3 ALA 38 2.698 -32.985 -7.075 309 2HB ALA 38 HB1 ALA 38 1.478 -34.029 -7.833 310 3HB ALA 38 HB2 ALA 38 2.416 -32.925 -8.842 311 H ALA 39 HN ALA 39 0.058 -30.511 -5.535 312 HA ALA 39 HA ALA 39 -2.388 -31.910 -5.215 313 1HB ALA 39 HB1 ALA 39 -1.578 -30.273 -3.574 314 2HB ALA 39 HB2 ALA 39 -1.762 -28.973 -4.744 315 3HB ALA 39 HB3 ALA 39 -3.187 -29.824 -4.140 316 NH1 ARG 40 NH1 ARG 40 1.080 -25.119 -10.484 317 NH2 ARG 40 NH2 ARG 40 -0.334 -25.042 -8.861 318 H ARG 40 HN ARG 40 -1.565 -29.143 -7.313 319 HA ARG 40 HA ARG 40 -4.082 -29.056 -8.677 320 1HB ARG 40 HB1 ARG 40 -2.498 -27.213 -8.488 321 2HB ARG 40 HB2 ARG 40 -1.341 -28.074 -9.473 322 1HG ARG 40 HG1 ARG 40 -2.635 -27.782 -11.450 323 2HG ARG 40 HG2 ARG 40 -4.037 -27.235 -10.549 324 1HD ARG 40 HD1 ARG 40 -2.978 -25.326 -11.592 325 2HD ARG 40 HD2 ARG 40 -2.769 -25.188 -9.869 326 HE ARG 40 HE ARG 40 -0.633 -26.020 -11.784 327 1HH1 ARG 40 HH12 ARG 40 1.325 -25.290 -11.426 328 2HH1 ARG 40 HH11 ARG 40 1.734 -24.832 -9.791 329 1HH2 ARG 40 HH22 ARG 40 -1.244 -25.164 -8.503 330 2HH2 ARG 40 HH21 ARG 40 0.459 -24.767 -8.285 331 H ILE 41 HN ILE 41 -1.042 -30.676 -9.906 332 HA ILE 41 HA ILE 41 -2.472 -32.286 -11.716 333 HB ILE 41 HB ILE 41 0.307 -32.968 -10.682 334 1HG1 ILE 41 HG11 ILE 41 0.408 -32.225 -13.366 335 2HG1 ILE 41 HG12 ILE 41 -0.766 -31.073 -12.697 336 1HG2 ILE 41 HG21 ILE 41 -1.274 -34.075 -12.891 337 2HG2 ILE 41 HG22 ILE 41 0.507 -34.226 -12.530 338 3HG2 ILE 41 HG23 ILE 41 -0.740 -34.923 -11.434 339 1HD1 ILE 41 HD11 ILE 41 1.768 -31.722 -11.326 340 2HD1 ILE 41 HD12 ILE 41 1.698 -30.407 -12.550 341 3HD1 ILE 41 HD13 ILE 41 0.748 -30.338 -11.054 342 H LYS 42 HN LYS 42 -3.997 -32.835 -10.875 343 HA LYS 42 HA LYS 42 -4.344 -34.681 -8.574 344 1HB LYS 42 HB1 LYS 42 -6.672 -33.942 -8.456 345 2HB LYS 42 HB2 LYS 42 -5.527 -32.622 -8.317 346 1HG LYS 42 HG1 LYS 42 -5.980 -31.959 -10.659 347 2HG LYS 42 HG2 LYS 42 -7.110 -33.303 -10.823 348 1HD LYS 42 HD1 LYS 42 -8.523 -32.318 -9.040 349 2HD LYS 42 HD2 LYS 42 -7.372 -31.013 -8.845 350 1HE LYS 42 HE1 LYS 42 -9.183 -30.151 -10.131 351 2HE LYS 42 HE2 LYS 42 -7.809 -30.327 -11.216 352 1HZ LYS 42 HZ3 LYS 42 -9.993 -32.308 -10.887 353 2HZ LYS 42 HZ1 LYS 42 -9.859 -31.228 -12.188 354 3HZ LYS 42 HZ2 LYS 42 -8.696 -32.435 -11.958 355 H ILE 43 HN ILE 43 -3.708 -35.583 -11.408 356 HA ILE 43 HA ILE 43 -6.041 -36.685 -12.611 357 HB ILE 43 HB ILE 43 -3.109 -37.203 -13.158 358 1HG1 ILE 43 HG11 ILE 43 -5.079 -35.524 -14.737 359 2HG1 ILE 43 HG12 ILE 43 -4.058 -34.842 -13.495 360 1HG2 ILE 43 HG22 ILE 43 -5.500 -37.989 -14.871 361 2HG2 ILE 43 HG23 ILE 43 -3.816 -38.130 -15.358 362 3HG2 ILE 43 HG21 ILE 43 -4.423 -39.108 -14.048 363 1HD1 ILE 43 HD13 ILE 43 -2.035 -35.539 -14.778 364 2HD1 ILE 43 HD11 ILE 43 -3.070 -36.156 -16.057 365 3HD1 ILE 43 HD12 ILE 43 -3.068 -34.441 -15.687 366 H GLY 44 HN GLY 44 -3.571 -38.283 -10.564 367 1HA GLY 44 HA1 GLY 44 -5.537 -40.055 -9.535 368 2HA GLY 44 HA2 GLY 44 -4.555 -40.912 -10.699 369 HA PRO 45 HA PRO 45 -2.599 -40.829 -6.167 370 1HB PRO 45 HB1 PRO 45 -3.346 -43.748 -6.546 371 2HB PRO 45 HB2 PRO 45 -3.155 -42.818 -5.047 372 1HG PRO 45 HG1 PRO 45 -5.596 -43.174 -5.962 373 2HG PRO 45 HG2 PRO 45 -5.130 -41.530 -5.477 374 1HD PRO 45 HD1 PRO 45 -5.229 -42.725 -8.266 375 2HD PRO 45 HD2 PRO 45 -5.856 -41.167 -7.681 376 H LYS 46 HN LYS 46 -2.291 -43.345 -8.639 377 HA LYS 46 HA LYS 46 0.487 -43.868 -8.285 378 1HB LYS 46 HB1 LYS 46 -1.332 -44.433 -10.643 379 2HB LYS 46 HB2 LYS 46 0.292 -45.070 -10.450 380 1HG LYS 46 HG1 LYS 46 -0.445 -46.142 -8.286 381 2HG LYS 46 HG2 LYS 46 -2.081 -45.636 -8.633 382 1HD LYS 46 HD1 LYS 46 -0.453 -47.515 -10.359 383 2HD LYS 46 HD2 LYS 46 -1.637 -48.011 -9.174 384 1HE LYS 46 HE1 LYS 46 -3.397 -46.810 -10.478 385 2HE LYS 46 HE2 LYS 46 -2.192 -46.440 -11.711 386 1HZ LYS 46 HZ1 LYS 46 -1.746 -48.819 -11.927 387 2HZ LYS 46 HZ2 LYS 46 -2.909 -49.152 -10.754 388 3HZ LYS 46 HZ3 LYS 46 -3.380 -48.490 -12.236 389 H CYS 47 HN CYS 47 -1.203 -41.469 -10.172 390 HA CYS 47 HA CYS 47 1.021 -40.592 -11.767 391 1HB CYS 47 HB1 CYS 47 -1.283 -40.209 -12.505 392 2HB CYS 47 HB2 CYS 47 -1.605 -39.260 -11.076 393 H VAL 48 HN VAL 48 -0.566 -38.802 -8.939 394 HA VAL 48 HA VAL 48 1.428 -37.294 -8.281 395 HB VAL 48 HB VAL 48 0.435 -38.631 -5.799 396 1HG1 VAL 48 HG12 VAL 48 1.514 -36.313 -5.984 397 2HG1 VAL 48 HG13 VAL 48 0.165 -35.914 -7.067 398 3HG1 VAL 48 HG11 VAL 48 -0.136 -36.202 -5.346 399 1HG2 VAL 48 HG23 VAL 48 -1.439 -39.084 -7.052 400 2HG2 VAL 48 HG21 VAL 48 -1.784 -37.854 -5.827 401 3HG2 VAL 48 HG22 VAL 48 -1.637 -37.393 -7.529 402 H LYS 49 HN LYS 49 1.368 -40.707 -7.218 403 HA LYS 49 HA LYS 49 3.894 -40.707 -5.944 404 1HB LYS 49 HB1 LYS 49 2.223 -42.584 -5.826 405 2HB LYS 49 HB2 LYS 49 2.808 -43.117 -7.396 406 1HG LYS 49 HG1 LYS 49 5.193 -43.076 -6.300 407 2HG LYS 49 HG2 LYS 49 4.342 -42.954 -4.781 408 1HD LYS 49 HD1 LYS 49 3.377 -45.097 -5.007 409 2HD LYS 49 HD2 LYS 49 3.737 -45.173 -6.723 410 1HE LYS 49 HE1 LYS 49 5.823 -45.192 -4.526 411 2HE LYS 49 HE2 LYS 49 5.224 -46.620 -5.362 412 1HZ LYS 49 HZ1 LYS 49 5.891 -45.378 -7.532 413 2HZ LYS 49 HZ2 LYS 49 6.826 -44.349 -6.533 414 3HZ LYS 49 HZ3 LYS 49 7.179 -46.024 -6.550 415 H ALA 50 HN ALA 50 3.397 -41.699 -9.432 416 HA ALA 50 HA ALA 50 6.121 -41.882 -10.134 417 1HB ALA 50 HB1 ALA 50 4.247 -42.608 -11.591 418 2HB ALA 50 HB2 ALA 50 3.825 -40.942 -11.889 419 3HB ALA 50 HB3 ALA 50 5.337 -41.601 -12.515 420 H PHE 51 HN PHE 51 4.013 -39.021 -10.196 421 HA PHE 51 HA PHE 51 5.791 -37.013 -10.947 422 1HB PHE 51 HB1 PHE 51 3.218 -37.036 -10.388 423 2HB PHE 51 HB2 PHE 51 3.715 -36.671 -8.757 424 HD1 PHE 51 HD1 PHE 51 5.319 -34.515 -8.497 425 HD2 PHE 51 HD2 PHE 51 2.682 -35.190 -11.777 426 HE1 PHE 51 HE1 PHE 51 5.644 -32.214 -9.280 427 HE2 PHE 51 HE2 PHE 51 2.985 -33.002 -12.524 428 HZ PHE 51 HZ PHE 51 4.574 -31.456 -11.358 429 H LYS 52 HN LYS 52 5.086 -37.979 -7.514 430 HA LYS 52 HA LYS 52 7.065 -36.329 -6.420 431 1HB LYS 52 HB1 LYS 52 5.198 -37.047 -5.118 432 2HB LYS 52 HB2 LYS 52 5.589 -38.728 -5.339 433 1HG LYS 52 HG1 LYS 52 6.049 -38.065 -3.066 434 2HG LYS 52 HG2 LYS 52 7.530 -38.521 -3.859 435 1HD LYS 52 HD1 LYS 52 8.093 -36.686 -2.543 436 2HD LYS 52 HD2 LYS 52 8.013 -36.032 -4.155 437 1HE LYS 52 HE1 LYS 52 5.864 -34.988 -3.676 438 2HE LYS 52 HE2 LYS 52 5.797 -35.782 -2.098 439 1HZ LYS 52 HZ3 LYS 52 7.904 -34.705 -1.540 440 2HZ LYS 52 HZ1 LYS 52 7.909 -33.898 -3.015 441 3HZ LYS 52 HZ2 LYS 52 6.744 -33.491 -1.823 442 H ASP 53 HN ASP 53 7.358 -39.821 -7.298 443 HA ASP 53 HA ASP 53 10.018 -40.283 -6.508 444 1HB ASP 53 HB1 ASP 53 8.205 -41.369 -8.655 445 2HB ASP 53 HB2 ASP 53 9.900 -41.763 -8.781 446 H CYS 54 HN CYS 54 9.056 -39.289 -9.822 447 HA CYS 54 HA CYS 54 11.563 -38.356 -10.618 448 1HB CYS 54 HB1 CYS 54 8.781 -37.886 -11.518 449 2HB CYS 54 HB2 CYS 54 10.037 -36.868 -12.164 450 H CYS 55 HN CYS 55 9.082 -36.364 -8.898 451 HA CYS 55 HA CYS 55 10.627 -34.012 -8.965 452 1HB CYS 55 HB1 CYS 55 8.129 -34.602 -8.073 453 2HB CYS 55 HB2 CYS 55 8.955 -34.388 -6.545 454 OH TYR 56 OH TYR 56 9.822 -37.744 -0.124 455 H TYR 56 HN TYR 56 10.759 -36.681 -6.530 456 HA TYR 56 HA TYR 56 12.936 -35.657 -5.095 457 1HB TYR 56 HB1 TYR 56 12.170 -38.500 -5.736 458 2HB TYR 56 HB2 TYR 56 13.633 -38.157 -4.841 459 HD1 TYR 56 HD1 TYR 56 10.743 -39.503 -4.160 460 HD2 TYR 56 HD2 TYR 56 12.759 -35.950 -2.978 461 HE1 TYR 56 HE1 TYR 56 9.563 -39.538 -2.016 462 HE2 TYR 56 HE2 TYR 56 11.541 -35.983 -0.851 463 HH TYR 56 HH TYR 56 9.248 -38.509 -0.067 464 H ILE 57 HN ILE 57 13.257 -37.617 -8.229 465 HA ILE 57 HA ILE 57 16.028 -36.897 -8.081 466 HB ILE 57 HB ILE 57 16.477 -37.633 -10.334 467 1HG1 ILE 57 HG11 ILE 57 14.997 -39.373 -11.291 468 2HG1 ILE 57 HG12 ILE 57 13.731 -38.792 -10.229 469 1HG2 ILE 57 HG21 ILE 57 15.381 -39.576 -8.297 470 2HG2 ILE 57 HG22 ILE 57 16.444 -40.011 -9.632 471 3HG2 ILE 57 HG23 ILE 57 17.017 -38.927 -8.375 472 1HD1 ILE 57 HD11 ILE 57 15.028 -37.091 -12.374 473 2HD1 ILE 57 HD12 ILE 57 13.487 -37.943 -12.536 474 3HD1 ILE 57 HD13 ILE 57 13.655 -36.685 -11.320 475 H ALA 58 HN ALA 58 13.411 -35.099 -9.656 476 HA ALA 58 HA ALA 58 14.939 -33.099 -10.888 477 1HB ALA 58 HB1 ALA 58 12.512 -33.200 -11.008 478 2HB ALA 58 HB2 ALA 58 12.394 -32.754 -9.308 479 3HB ALA 58 HB3 ALA 58 13.065 -31.620 -10.473 480 H ASN 59 HN ASN 59 14.025 -33.240 -7.409 481 HA ASN 59 HA ASN 59 15.660 -31.094 -6.536 482 1HB ASN 59 HB1 ASN 59 14.627 -33.540 -5.076 483 2HB ASN 59 HB2 ASN 59 15.613 -32.323 -4.281 484 1HD2 ASN 59 HD21 ASN 59 11.753 -31.449 -5.003 485 2HD2 ASN 59 HD22 ASN 59 12.424 -32.764 -5.928 486 H GLN 60 HN GLN 60 16.545 -34.587 -6.667 487 HA GLN 60 HA GLN 60 19.226 -34.305 -5.871 488 1HB GLN 60 HB1 GLN 60 17.951 -36.435 -6.058 489 2HB GLN 60 HB2 GLN 60 18.073 -36.332 -7.795 490 1HG GLN 60 HG1 GLN 60 20.636 -36.382 -6.218 491 2HG GLN 60 HG2 GLN 60 19.718 -37.862 -6.364 492 1HE2 GLN 60 HE21 GLN 60 21.878 -36.565 -9.526 493 2HE2 GLN 60 HE22 GLN 60 21.712 -35.589 -8.105 494 H VAL 61 HN VAL 61 17.982 -34.241 -9.268 495 HA VAL 61 HA VAL 61 20.464 -33.586 -10.452 496 HB VAL 61 HB VAL 61 17.648 -33.158 -11.437 497 1HG1 VAL 61 HG13 VAL 61 20.210 -32.843 -13.056 498 2HG1 VAL 61 HG11 VAL 61 18.578 -32.865 -13.714 499 3HG1 VAL 61 HG12 VAL 61 19.084 -31.545 -12.677 500 1HG2 VAL 61 HG22 VAL 61 19.800 -35.186 -12.167 501 2HG2 VAL 61 HG23 VAL 61 18.348 -35.502 -11.219 502 3HG2 VAL 61 HG21 VAL 61 18.210 -35.074 -12.918 503 NH1 ARG 62 NH1 ARG 62 19.358 -23.414 -10.036 504 NH2 ARG 62 NH2 ARG 62 20.498 -25.264 -10.327 505 H ARG 62 HN ARG 62 17.921 -31.275 -9.250 506 HA ARG 62 HA ARG 62 19.502 -29.011 -9.910 507 1HB ARG 62 HB1 ARG 62 16.970 -29.129 -9.436 508 2HB ARG 62 HB2 ARG 62 17.393 -29.067 -7.741 509 1HG ARG 62 HG1 ARG 62 16.885 -26.816 -8.375 510 2HG ARG 62 HG2 ARG 62 18.626 -26.882 -8.219 511 1HD ARG 62 HD1 ARG 62 18.744 -27.190 -10.759 512 2HD ARG 62 HD2 ARG 62 17.022 -26.868 -10.787 513 HE ARG 62 HE ARG 62 17.476 -24.591 -10.032 514 1HH1 ARG 62 HH12 ARG 62 18.440 -23.001 -9.927 515 2HH1 ARG 62 HH11 ARG 62 20.197 -22.898 -10.046 516 1HH2 ARG 62 HH22 ARG 62 20.550 -26.261 -10.457 517 2HH2 ARG 62 HH21 ARG 62 21.333 -24.738 -10.328 518 H ALA 63 HN ALA 63 19.474 -30.886 -6.826 519 HA ALA 63 HA ALA 63 21.434 -29.276 -5.554 520 1HB ALA 63 HB1 ALA 63 20.108 -30.950 -4.358 521 2HB ALA 63 HB2 ALA 63 20.870 -32.247 -5.274 522 3HB ALA 63 HB3 ALA 63 21.826 -31.282 -4.148 523 H GLU 64 HN GLU 64 21.841 -31.945 -7.828 524 HA GLU 64 HA GLU 64 24.709 -31.941 -7.902 525 1HB GLU 64 HB1 GLU 64 23.127 -33.775 -8.538 526 2HB GLU 64 HB2 GLU 64 22.607 -32.823 -9.903 527 1HG GLU 64 HG1 GLU 64 25.100 -33.018 -10.724 528 2HG GLU 64 HG2 GLU 64 25.224 -34.298 -9.524 529 H GLN 65 HN GLN 65 22.303 -30.510 -10.218 530 HA GLN 65 HA GLN 65 24.480 -28.799 -11.294 531 1HB GLN 65 HB1 GLN 65 22.106 -30.090 -12.676 532 2HB GLN 65 HB2 GLN 65 23.107 -28.873 -13.441 533 1HG GLN 65 HG1 GLN 65 25.058 -30.331 -13.398 534 2HG GLN 65 HG2 GLN 65 24.212 -31.529 -12.435 535 1HE2 GLN 65 HE21 GLN 65 23.028 -33.096 -15.338 536 2HE2 GLN 65 HE22 GLN 65 23.461 -33.285 -13.658 Start of MODEL 39 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 13.809 -47.364 -2.023 2 2H MET 1 HT2 MET 1 12.305 -47.126 -1.274 3 3H MET 1 HT1 MET 1 12.400 -47.294 -2.959 4 HA MET 1 HA MET 1 12.081 -45.034 -2.438 5 1HB MET 1 HB1 MET 1 13.584 -43.805 -0.970 6 2HB MET 1 HB2 MET 1 12.744 -45.089 -0.143 7 1HG MET 1 HG1 MET 1 14.811 -46.479 -0.191 8 2HG MET 1 HG2 MET 1 15.649 -45.197 -1.042 9 1HE MET 1 HE3 MET 1 13.626 -45.982 2.307 10 2HE MET 1 HE1 MET 1 15.200 -46.808 2.287 11 3HE MET 1 HE2 MET 1 14.890 -45.512 3.428 12 H LEU 2 HN LEU 2 12.763 -43.499 -3.823 13 HA LEU 2 HA LEU 2 13.718 -42.502 -5.528 14 1HB LEU 2 HB1 LEU 2 16.217 -43.253 -4.057 15 2HB LEU 2 HB2 LEU 2 16.287 -42.403 -5.583 16 HG LEU 2 HG LEU 2 14.823 -40.617 -4.533 17 1HD1 LEU 2 HD12 LEU 2 15.633 -41.968 -1.940 18 2HD1 LEU 2 HD13 LEU 2 14.902 -40.373 -2.084 19 3HD1 LEU 2 HD11 LEU 2 13.987 -41.796 -2.545 20 1HD2 LEU 2 HD22 LEU 2 17.593 -41.104 -3.397 21 2HD2 LEU 2 HD23 LEU 2 17.221 -40.305 -4.921 22 3HD2 LEU 2 HD21 LEU 2 16.755 -39.558 -3.402 23 H GLN 3 HN GLN 3 16.264 -44.868 -5.677 24 HA GLN 3 HA GLN 3 16.098 -44.976 -8.499 25 1HB GLN 3 HB1 GLN 3 17.890 -46.837 -8.201 26 2HB GLN 3 HB2 GLN 3 18.238 -45.156 -7.934 27 1HG GLN 3 HG1 GLN 3 19.369 -46.467 -6.268 28 2HG GLN 3 HG2 GLN 3 18.148 -45.522 -5.459 29 1HE2 GLN 3 HE21 GLN 3 16.582 -48.482 -4.253 30 2HE2 GLN 3 HE22 GLN 3 16.404 -46.752 -4.284 31 H LYS 4 HN LYS 4 15.319 -47.497 -6.158 32 HA LYS 4 HA LYS 4 14.417 -49.509 -7.891 33 1HB LYS 4 HB1 LYS 4 14.944 -49.925 -5.592 34 2HB LYS 4 HB2 LYS 4 13.749 -48.778 -5.023 35 1HG LYS 4 HG1 LYS 4 11.928 -50.260 -5.708 36 2HG LYS 4 HG2 LYS 4 13.064 -51.355 -6.470 37 1HD LYS 4 HD1 LYS 4 14.015 -51.963 -4.331 38 2HD LYS 4 HD2 LYS 4 13.123 -50.702 -3.508 39 1HE LYS 4 HE1 LYS 4 12.100 -52.845 -3.052 40 2HE LYS 4 HE2 LYS 4 11.004 -51.856 -4.005 41 1HZ LYS 4 HZ3 LYS 4 12.830 -53.857 -5.208 42 2HZ LYS 4 HZ1 LYS 4 11.225 -54.195 -4.796 43 3HZ LYS 4 HZ2 LYS 4 11.544 -53.071 -6.024 44 H LYS 5 HN LYS 5 12.597 -46.818 -6.464 45 HA LYS 5 HA LYS 5 10.087 -47.631 -7.601 46 1HB LYS 5 HB1 LYS 5 10.923 -45.187 -6.076 47 2HB LYS 5 HB2 LYS 5 9.316 -45.369 -6.767 48 1HG LYS 5 HG1 LYS 5 8.982 -47.455 -5.499 49 2HG LYS 5 HG2 LYS 5 10.590 -47.332 -4.825 50 1HD LYS 5 HD1 LYS 5 9.334 -46.515 -3.082 51 2HD LYS 5 HD2 LYS 5 9.732 -45.025 -3.899 52 1HE LYS 5 HE1 LYS 5 7.110 -46.478 -4.264 53 2HE LYS 5 HE2 LYS 5 7.377 -45.220 -3.069 54 1HZ LYS 5 HZ3 LYS 5 8.161 -43.766 -5.072 55 2HZ LYS 5 HZ1 LYS 5 7.342 -44.943 -6.064 56 3HZ LYS 5 HZ2 LYS 5 6.510 -44.089 -4.873 57 H ILE 6 HN ILE 6 12.410 -45.009 -8.637 58 HA ILE 6 HA ILE 6 10.863 -44.285 -10.924 59 HB ILE 6 HB ILE 6 13.890 -44.266 -10.862 60 1HG1 ILE 6 HG11 ILE 6 12.387 -41.741 -10.321 61 2HG1 ILE 6 HG12 ILE 6 12.427 -42.907 -9.017 62 1HG2 ILE 6 HG22 ILE 6 11.926 -42.590 -12.561 63 2HG2 ILE 6 HG23 ILE 6 13.659 -42.387 -12.525 64 3HG2 ILE 6 HG21 ILE 6 12.966 -43.868 -13.145 65 1HD1 ILE 6 HD12 ILE 6 14.885 -41.841 -10.435 66 2HD1 ILE 6 HD13 ILE 6 14.311 -41.341 -8.843 67 3HD1 ILE 6 HD11 ILE 6 14.880 -42.986 -9.101 68 H GLU 7 HN GLU 7 13.338 -46.866 -10.514 69 HA GLU 7 HA GLU 7 13.136 -48.007 -13.080 70 1HB GLU 7 HB1 GLU 7 14.857 -48.544 -11.375 71 2HB GLU 7 HB2 GLU 7 13.645 -49.360 -10.416 72 1HG GLU 7 HG1 GLU 7 13.333 -51.023 -12.323 73 2HG GLU 7 HG2 GLU 7 14.662 -50.232 -13.159 74 H GLU 8 HN GLU 8 11.281 -49.217 -10.141 75 HA GLU 8 HA GLU 8 9.738 -50.911 -11.871 76 1HB GLU 8 HB1 GLU 8 9.462 -50.250 -8.940 77 2HB GLU 8 HB2 GLU 8 8.396 -51.378 -9.772 78 1HG GLU 8 HG1 GLU 8 10.419 -52.738 -10.443 79 2HG GLU 8 HG2 GLU 8 11.431 -51.648 -9.508 80 H GLU 9 HN GLU 9 9.022 -47.591 -10.809 81 HA GLU 9 HA GLU 9 6.291 -47.843 -11.919 82 1HB GLU 9 HB1 GLU 9 7.606 -45.505 -10.530 83 2HB GLU 9 HB2 GLU 9 5.910 -45.630 -10.993 84 1HG GLU 9 HG1 GLU 9 5.713 -47.654 -9.443 85 2HG GLU 9 HG2 GLU 9 7.377 -47.397 -8.972 86 H ALA 10 HN ALA 10 9.328 -46.142 -12.970 87 HA ALA 10 HA ALA 10 7.923 -46.081 -15.556 88 1HB ALA 10 HB2 ALA 10 10.490 -44.742 -14.512 89 2HB ALA 10 HB3 ALA 10 9.855 -44.469 -16.131 90 3HB ALA 10 HB1 ALA 10 8.936 -43.944 -14.727 91 H ALA 11 HN ALA 11 9.389 -48.703 -14.701 92 HA ALA 11 HA ALA 11 11.438 -49.342 -16.287 93 1HB ALA 11 HB3 ALA 11 10.489 -50.747 -14.565 94 2HB ALA 11 HB1 ALA 11 9.041 -51.035 -15.523 95 3HB ALA 11 HB2 ALA 11 10.590 -51.682 -16.062 96 H LYS 12 HN LYS 12 9.547 -47.928 -18.149 97 HA LYS 12 HA LYS 12 8.517 -47.993 -20.225 98 1HB LYS 12 HB1 LYS 12 11.014 -48.178 -20.631 99 2HB LYS 12 HB2 LYS 12 10.748 -49.885 -20.920 100 1HG LYS 12 HG1 LYS 12 9.224 -49.345 -22.795 101 2HG LYS 12 HG2 LYS 12 9.471 -47.626 -22.514 102 1HD LYS 12 HD1 LYS 12 11.889 -47.901 -23.000 103 2HD LYS 12 HD2 LYS 12 11.633 -49.619 -23.275 104 1HE LYS 12 HE1 LYS 12 10.096 -49.088 -25.144 105 2HE LYS 12 HE2 LYS 12 10.375 -47.366 -24.877 106 1HZ LYS 12 HZ2 LYS 12 12.736 -47.733 -25.235 107 2HZ LYS 12 HZ3 LYS 12 12.465 -49.380 -25.491 108 3HZ LYS 12 HZ1 LYS 12 11.858 -48.245 -26.590 109 OH TYR 13 OH TYR 13 4.319 -48.233 -13.576 110 H TYR 13 HN TYR 13 6.690 -49.188 -19.019 111 HA TYR 13 HA TYR 13 6.546 -52.009 -19.718 112 1HB TYR 13 HB1 TYR 13 6.257 -52.572 -17.411 113 2HB TYR 13 HB2 TYR 13 7.680 -51.592 -17.537 114 HD1 TYR 13 HD1 TYR 13 4.998 -52.210 -15.556 115 HD2 TYR 13 HD2 TYR 13 7.132 -48.724 -16.935 116 HE1 TYR 13 HE1 TYR 13 3.964 -50.820 -13.828 117 HE2 TYR 13 HE2 TYR 13 5.920 -47.430 -15.391 118 HH TYR 13 HH TYR 13 4.696 -47.345 -13.730 119 H LYS 14 HN LYS 14 4.161 -51.720 -17.694 120 HA LYS 14 HA LYS 14 2.113 -51.566 -19.742 121 1HB LYS 14 HB1 LYS 14 1.893 -52.064 -16.747 122 2HB LYS 14 HB2 LYS 14 0.569 -52.186 -17.885 123 1HG LYS 14 HG1 LYS 14 1.685 -54.043 -19.045 124 2HG LYS 14 HG2 LYS 14 3.066 -53.917 -17.966 125 1HD LYS 14 HD1 LYS 14 1.581 -54.418 -16.030 126 2HD LYS 14 HD2 LYS 14 0.221 -54.580 -17.132 127 1HE LYS 14 HE1 LYS 14 1.359 -56.451 -18.275 128 2HE LYS 14 HE2 LYS 14 2.730 -56.287 -17.176 129 1HZ LYS 14 HZ1 LYS 14 1.234 -56.657 -15.316 130 2HZ LYS 14 HZ2 LYS 14 -0.076 -56.813 -16.368 131 3HZ LYS 14 HZ3 LYS 14 1.162 -57.969 -16.384 132 OH TYR 15 OH TYR 15 -1.921 -52.490 -13.863 133 H TYR 15 HN TYR 15 2.770 -49.755 -16.737 134 HA TYR 15 HA TYR 15 0.586 -47.916 -17.344 135 1HB TYR 15 HB1 TYR 15 2.286 -48.156 -14.852 136 2HB TYR 15 HB2 TYR 15 0.877 -47.152 -15.024 137 HD1 TYR 15 HD1 TYR 15 1.825 -50.054 -13.555 138 HD2 TYR 15 HD2 TYR 15 -1.208 -48.715 -16.207 139 HE1 TYR 15 HE1 TYR 15 0.420 -51.989 -12.943 140 HE2 TYR 15 HE2 TYR 15 -2.609 -50.619 -15.563 141 HH TYR 15 HH TYR 15 -2.763 -52.457 -14.320 142 H ALA 16 HN ALA 16 1.795 -47.333 -19.163 143 HA ALA 16 HA ALA 16 4.085 -45.731 -19.291 144 1HB ALA 16 HB3 ALA 16 3.128 -46.878 -21.209 145 2HB ALA 16 HB1 ALA 16 1.693 -45.859 -21.154 146 3HB ALA 16 HB2 ALA 16 3.259 -45.159 -21.557 147 H MET 17 HN MET 17 0.733 -44.627 -18.947 148 HA MET 17 HA MET 17 1.263 -41.830 -19.049 149 1HB MET 17 HB1 MET 17 -0.921 -42.879 -19.496 150 2HB MET 17 HB2 MET 17 -1.060 -43.341 -17.815 151 1HG MET 17 HG1 MET 17 -1.118 -40.932 -17.170 152 2HG MET 17 HG2 MET 17 -0.943 -40.487 -18.854 153 1HE MET 17 HE3 MET 17 -3.147 -41.276 -15.996 154 2HE MET 17 HE1 MET 17 -4.726 -41.642 -16.652 155 3HE MET 17 HE2 MET 17 -3.489 -42.896 -16.636 156 H LEU 18 HN LEU 18 1.307 -44.127 -16.330 157 HA LEU 18 HA LEU 18 1.672 -42.138 -14.314 158 1HB LEU 18 HB1 LEU 18 1.934 -45.158 -14.357 159 2HB LEU 18 HB2 LEU 18 2.010 -44.181 -12.914 160 HG LEU 18 HG LEU 18 -0.067 -45.229 -13.034 161 1HD1 LEU 18 HD13 LEU 18 -0.105 -42.997 -12.083 162 2HD1 LEU 18 HD11 LEU 18 -0.421 -42.282 -13.655 163 3HD1 LEU 18 HD12 LEU 18 -1.646 -43.287 -12.882 164 1HD2 LEU 18 HD23 LEU 18 -0.561 -45.691 -15.343 165 2HD2 LEU 18 HD21 LEU 18 -1.898 -44.862 -14.574 166 3HD2 LEU 18 HD22 LEU 18 -0.832 -43.978 -15.643 167 H LYS 19 HN LYS 19 4.024 -44.598 -15.645 168 HA LYS 19 HA LYS 19 6.338 -43.319 -15.067 169 1HB LYS 19 HB1 LYS 19 6.238 -45.273 -16.550 170 2HB LYS 19 HB2 LYS 19 5.220 -44.443 -17.691 171 1HG LYS 19 HG1 LYS 19 7.072 -43.150 -18.567 172 2HG LYS 19 HG2 LYS 19 8.159 -43.781 -17.355 173 1HD LYS 19 HD1 LYS 19 7.738 -46.084 -18.298 174 2HD LYS 19 HD2 LYS 19 6.747 -45.346 -19.536 175 1HE LYS 19 HE1 LYS 19 8.818 -45.739 -20.574 176 2HE LYS 19 HE2 LYS 19 8.785 -44.022 -20.238 177 1HZ LYS 19 HZ2 LYS 19 10.019 -45.834 -18.197 178 2HZ LYS 19 HZ3 LYS 19 10.861 -45.415 -19.615 179 3HZ LYS 19 HZ1 LYS 19 10.423 -44.201 -18.545 180 H LYS 20 HN LYS 20 4.209 -42.049 -17.764 181 HA LYS 20 HA LYS 20 5.749 -39.719 -18.181 182 1HB LYS 20 HB1 LYS 20 3.949 -40.723 -19.640 183 2HB LYS 20 HB2 LYS 20 2.765 -40.032 -18.566 184 1HG LYS 20 HG1 LYS 20 4.491 -37.879 -19.318 185 2HG LYS 20 HG2 LYS 20 4.244 -38.818 -20.765 186 1HD LYS 20 HD1 LYS 20 2.596 -37.044 -20.661 187 2HD LYS 20 HD2 LYS 20 1.804 -38.596 -20.541 188 1HE LYS 20 HE1 LYS 20 0.818 -36.897 -19.033 189 2HE LYS 20 HE2 LYS 20 1.424 -38.286 -18.147 190 1HZ LYS 20 HZ3 LYS 20 2.894 -35.709 -18.521 191 2HZ LYS 20 HZ1 LYS 20 2.215 -36.210 -17.067 192 3HZ LYS 20 HZ2 LYS 20 3.488 -37.053 -17.693 193 H CYS 21 HN CYS 21 3.117 -40.180 -15.654 194 HA CYS 21 HA CYS 21 3.378 -37.681 -14.446 195 1HB CYS 21 HB1 CYS 21 2.930 -40.408 -13.273 196 2HB CYS 21 HB2 CYS 21 2.989 -38.983 -12.273 197 H CYS 22 HN CYS 22 5.490 -40.533 -13.708 198 HA CYS 22 HA CYS 22 7.649 -39.295 -12.329 199 1HB CYS 22 HB1 CYS 22 7.328 -41.716 -13.315 200 2HB CYS 22 HB2 CYS 22 8.400 -41.065 -14.485 201 OH TYR 23 OH TYR 23 11.203 -43.169 -17.888 202 H TYR 23 HN TYR 23 7.212 -39.188 -15.783 203 HA TYR 23 HA TYR 23 9.397 -37.363 -15.919 204 1HB TYR 23 HB1 TYR 23 7.577 -38.252 -18.080 205 2HB TYR 23 HB2 TYR 23 9.129 -37.460 -18.266 206 HD1 TYR 23 HD1 TYR 23 8.737 -39.839 -19.576 207 HD2 TYR 23 HD2 TYR 23 9.768 -39.791 -15.374 208 HE1 TYR 23 HE1 TYR 23 10.012 -41.934 -19.807 209 HE2 TYR 23 HE2 TYR 23 11.094 -41.718 -15.720 210 HH TYR 23 HH TYR 23 11.699 -43.332 -17.076 211 H ASP 24 HN ASP 24 5.935 -36.582 -15.731 212 HA ASP 24 HA ASP 24 6.250 -33.766 -15.725 213 1HB ASP 24 HB1 ASP 24 4.493 -35.385 -13.843 214 2HB ASP 24 HB2 ASP 24 4.457 -33.648 -14.045 215 H GLY 25 HN GLY 25 6.812 -35.984 -12.981 216 1HA GLY 25 HA1 GLY 25 7.902 -34.156 -11.142 217 2HA GLY 25 HA2 GLY 25 8.299 -35.855 -11.201 218 H ALA 26 HN ALA 26 9.695 -36.084 -13.522 219 HA ALA 26 HA ALA 26 12.243 -34.932 -13.083 220 1HB ALA 26 HB1 ALA 26 11.959 -37.038 -14.276 221 2HB ALA 26 HB2 ALA 26 11.174 -36.198 -15.613 222 3HB ALA 26 HB3 ALA 26 12.867 -35.892 -15.255 223 OH TYR 27 OH TYR 27 8.767 -27.234 -20.236 224 H TYR 27 HN TYR 27 9.830 -33.934 -15.618 225 HA TYR 27 HA TYR 27 11.385 -31.594 -16.271 226 1HB TYR 27 HB1 TYR 27 10.004 -32.768 -17.928 227 2HB TYR 27 HB2 TYR 27 8.566 -32.418 -17.004 228 HD1 TYR 27 HD1 TYR 27 11.428 -30.156 -18.100 229 HD2 TYR 27 HD2 TYR 27 7.254 -30.969 -18.278 230 HE1 TYR 27 HE1 TYR 27 11.077 -28.093 -19.352 231 HE2 TYR 27 HE2 TYR 27 6.929 -28.902 -19.584 232 HH TYR 27 HH TYR 27 9.599 -26.779 -20.372 233 NH1 ARG 28 NH1 ARG 28 10.564 -29.292 -6.166 234 NH2 ARG 28 NH2 ARG 28 11.880 -27.893 -7.138 235 H ARG 28 HN ARG 28 11.630 -31.021 -14.040 236 HA ARG 28 HA ARG 28 9.540 -29.916 -12.478 237 1HB ARG 28 HB1 ARG 28 11.851 -30.883 -11.838 238 2HB ARG 28 HB2 ARG 28 12.444 -29.247 -12.090 239 1HG ARG 28 HG1 ARG 28 10.812 -28.412 -10.403 240 2HG ARG 28 HG2 ARG 28 10.174 -30.035 -10.218 241 1HD ARG 28 HD1 ARG 28 12.651 -30.656 -9.598 242 2HD ARG 28 HD2 ARG 28 12.831 -28.937 -9.329 243 HE ARG 28 HE ARG 28 10.908 -30.727 -7.921 244 1HH1 ARG 28 HH12 ARG 28 10.070 -30.146 -6.106 245 2HH1 ARG 28 HH11 ARG 28 10.542 -28.577 -5.454 246 1HH2 ARG 28 HH22 ARG 28 12.480 -27.624 -7.876 247 2HH2 ARG 28 HH21 ARG 28 11.729 -27.327 -6.333 248 H ASN 29 HN ASN 29 8.571 -28.004 -12.534 249 HA ASN 29 HA ASN 29 9.943 -25.614 -13.485 250 1HB ASN 29 HB1 ASN 29 7.998 -25.154 -15.144 251 2HB ASN 29 HB2 ASN 29 9.279 -26.259 -15.596 252 1HD2 ASN 29 HD22 ASN 29 8.059 -29.009 -15.664 253 2HD2 ASN 29 HD21 ASN 29 7.561 -27.993 -16.984 254 H ASP 30 HN ASP 30 6.471 -26.353 -12.883 255 HA ASP 30 HA ASP 30 5.935 -23.676 -12.222 256 1HB ASP 30 HB1 ASP 30 3.639 -24.413 -11.945 257 2HB ASP 30 HB2 ASP 30 4.369 -25.169 -13.349 258 H ASP 31 HN ASP 31 7.408 -25.652 -9.941 259 HA ASP 31 HA ASP 31 6.854 -23.722 -7.913 260 1HB ASP 31 HB1 ASP 31 4.915 -25.539 -7.775 261 2HB ASP 31 HB2 ASP 31 6.145 -26.528 -7.010 262 H GLU 32 HN GLU 32 8.313 -23.735 -6.232 263 HA GLU 32 HA GLU 32 10.736 -25.190 -6.361 264 1HB GLU 32 HB1 GLU 32 10.602 -22.941 -5.458 265 2HB GLU 32 HB2 GLU 32 9.555 -23.477 -4.164 266 1HG GLU 32 HG1 GLU 32 11.881 -23.063 -3.385 267 2HG GLU 32 HG2 GLU 32 11.411 -24.725 -3.117 268 H THR 33 HN THR 33 7.726 -25.997 -4.463 269 HA THR 33 HA THR 33 9.318 -28.234 -3.350 270 HB THR 33 HB THR 33 8.797 -26.770 -1.592 271 HG1 THR 33 HG1 THR 33 7.049 -28.916 -1.054 272 1HG2 THR 33 HG21 THR 33 6.660 -25.757 -2.303 273 2HG2 THR 33 HG22 THR 33 5.871 -27.318 -2.088 274 3HG2 THR 33 HG23 THR 33 6.555 -26.486 -0.696 275 H CYS 34 HN CYS 34 8.530 -30.258 -3.270 276 HA CYS 34 HA CYS 34 7.326 -31.011 -5.728 277 1HB CYS 34 HB1 CYS 34 8.212 -32.678 -3.362 278 2HB CYS 34 HB2 CYS 34 7.614 -33.365 -4.855 279 H GLU 35 HN GLU 35 6.075 -31.366 -2.422 280 HA GLU 35 HA GLU 35 3.794 -32.902 -3.320 281 1HB GLU 35 HB1 GLU 35 3.127 -33.124 -1.072 282 2HB GLU 35 HB2 GLU 35 4.862 -33.270 -1.079 283 1HG GLU 35 HG1 GLU 35 3.321 -30.789 -0.151 284 2HG GLU 35 HG2 GLU 35 4.010 -32.006 0.894 285 H GLU 36 HN GLU 36 4.185 -29.425 -2.573 286 HA GLU 36 HA GLU 36 1.394 -28.831 -2.869 287 1HB GLU 36 HB1 GLU 36 3.500 -27.341 -2.073 288 2HB GLU 36 HB2 GLU 36 3.420 -26.782 -3.722 289 1HG GLU 36 HG1 GLU 36 1.192 -26.615 -1.636 290 2HG GLU 36 HG2 GLU 36 2.170 -25.286 -2.210 291 NH1 ARG 37 NH1 ARG 37 6.738 -29.723 -13.077 292 NH2 ARG 37 NH2 ARG 37 7.462 -31.171 -11.625 293 H ARG 37 HN ARG 37 4.091 -28.763 -5.164 294 HA ARG 37 HA ARG 37 2.779 -28.293 -7.580 295 1HB ARG 37 HB1 ARG 37 5.294 -28.538 -7.074 296 2HB ARG 37 HB2 ARG 37 5.058 -30.266 -7.137 297 1HG ARG 37 HG1 ARG 37 4.266 -30.064 -9.492 298 2HG ARG 37 HG2 ARG 37 4.517 -28.337 -9.415 299 1HD ARG 37 HD1 ARG 37 6.968 -28.749 -9.050 300 2HD ARG 37 HD2 ARG 37 6.654 -30.476 -9.208 301 HE ARG 37 HE ARG 37 5.677 -28.630 -11.364 302 1HH1 ARG 37 HH12 ARG 37 6.206 -28.909 -13.312 303 2HH1 ARG 37 HH11 ARG 37 7.205 -30.268 -13.780 304 1HH2 ARG 37 HH22 ARG 37 7.624 -31.445 -10.692 305 2HH2 ARG 37 HH21 ARG 37 7.744 -31.738 -12.411 306 H ALA 38 HN ALA 38 3.460 -31.573 -6.179 307 HA ALA 38 HA ALA 38 1.474 -32.708 -7.928 308 1HB ALA 38 HB1 ALA 38 3.409 -33.918 -6.041 309 2HB ALA 38 HB2 ALA 38 2.234 -34.835 -7.019 310 3HB ALA 38 HB3 ALA 38 3.384 -33.783 -7.837 311 H ALA 39 HN ALA 39 0.900 -31.383 -4.729 312 HA ALA 39 HA ALA 39 -1.673 -32.547 -4.627 313 1HB ALA 39 HB3 ALA 39 -0.785 -31.149 -2.817 314 2HB ALA 39 HB1 ALA 39 -0.815 -29.735 -3.869 315 3HB ALA 39 HB2 ALA 39 -2.326 -30.509 -3.390 316 NH1 ARG 40 NH1 ARG 40 2.290 -24.426 -6.674 317 NH2 ARG 40 NH2 ARG 40 2.601 -24.895 -8.801 318 H ARG 40 HN ARG 40 -0.497 -29.828 -6.644 319 HA ARG 40 HA ARG 40 -2.967 -29.417 -8.032 320 1HB ARG 40 HB1 ARG 40 -0.200 -29.108 -9.224 321 2HB ARG 40 HB2 ARG 40 -1.674 -28.324 -9.770 322 1HG ARG 40 HG1 ARG 40 -1.717 -26.915 -7.776 323 2HG ARG 40 HG2 ARG 40 -0.386 -27.815 -7.062 324 1HD ARG 40 HD1 ARG 40 0.935 -27.110 -9.213 325 2HD ARG 40 HD2 ARG 40 -0.317 -25.872 -9.360 326 HE ARG 40 HE ARG 40 0.492 -25.765 -6.692 327 1HH1 ARG 40 HH12 ARG 40 1.730 -24.586 -5.835 328 2HH1 ARG 40 HH11 ARG 40 3.127 -23.874 -6.638 329 1HH2 ARG 40 HH22 ARG 40 2.352 -25.453 -9.597 330 2HH2 ARG 40 HH21 ARG 40 3.391 -24.281 -8.839 331 H ILE 41 HN ILE 41 -0.230 -31.536 -8.947 332 HA ILE 41 HA ILE 41 -1.697 -32.938 -10.903 333 HB ILE 41 HB ILE 41 1.015 -33.820 -9.844 334 1HG1 ILE 41 HG11 ILE 41 1.196 -32.896 -12.458 335 2HG1 ILE 41 HG12 ILE 41 0.045 -31.757 -11.747 336 1HG2 ILE 41 HG22 ILE 41 -0.574 -34.724 -12.129 337 2HG2 ILE 41 HG23 ILE 41 1.190 -34.958 -11.748 338 3HG2 ILE 41 HG21 ILE 41 -0.090 -35.667 -10.704 339 1HD1 ILE 41 HD11 ILE 41 2.504 -32.572 -10.314 340 2HD1 ILE 41 HD12 ILE 41 2.519 -31.183 -11.454 341 3HD1 ILE 41 HD13 ILE 41 1.521 -31.172 -9.994 342 H LYS 42 HN LYS 42 -3.287 -33.445 -10.207 343 HA LYS 42 HA LYS 42 -4.035 -35.035 -7.856 344 1HB LYS 42 HB1 LYS 42 -5.692 -33.618 -9.956 345 2HB LYS 42 HB2 LYS 42 -6.407 -34.612 -8.702 346 1HG LYS 42 HG1 LYS 42 -5.438 -33.160 -6.964 347 2HG LYS 42 HG2 LYS 42 -4.642 -32.197 -8.184 348 1HD LYS 42 HD1 LYS 42 -6.544 -30.967 -7.510 349 2HD LYS 42 HD2 LYS 42 -6.911 -31.596 -9.103 350 1HE LYS 42 HE1 LYS 42 -8.302 -33.375 -8.100 351 2HE LYS 42 HE2 LYS 42 -7.884 -32.795 -6.488 352 1HZ LYS 42 HZ1 LYS 42 -9.217 -31.203 -8.607 353 2HZ LYS 42 HZ2 LYS 42 -9.998 -31.864 -7.256 354 3HZ LYS 42 HZ3 LYS 42 -8.830 -30.652 -7.058 355 H ILE 43 HN ILE 43 -3.012 -36.273 -10.692 356 HA ILE 43 HA ILE 43 -5.275 -37.583 -11.788 357 HB ILE 43 HB ILE 43 -2.332 -37.966 -12.333 358 1HG1 ILE 43 HG11 ILE 43 -4.407 -36.524 -14.004 359 2HG1 ILE 43 HG12 ILE 43 -3.451 -35.696 -12.801 360 1HG2 ILE 43 HG23 ILE 43 -4.679 -39.007 -13.965 361 2HG2 ILE 43 HG21 ILE 43 -2.992 -39.062 -14.464 362 3HG2 ILE 43 HG22 ILE 43 -3.520 -40.001 -13.091 363 1HD1 ILE 43 HD12 ILE 43 -1.371 -36.320 -14.023 364 2HD1 ILE 43 HD13 ILE 43 -2.342 -37.092 -15.268 365 3HD1 ILE 43 HD11 ILE 43 -2.470 -35.361 -15.008 366 H GLY 44 HN GLY 44 -2.748 -39.012 -9.642 367 1HA GLY 44 HA1 GLY 44 -4.630 -40.706 -8.452 368 2HA GLY 44 HA2 GLY 44 -3.847 -41.645 -9.699 369 HA PRO 45 HA PRO 45 -1.511 -41.913 -5.424 370 1HB PRO 45 HB1 PRO 45 -2.268 -44.789 -6.042 371 2HB PRO 45 HB2 PRO 45 -1.996 -44.003 -4.475 372 1HG PRO 45 HG1 PRO 45 -4.482 -44.296 -5.286 373 2HG PRO 45 HG2 PRO 45 -3.998 -42.704 -4.666 374 1HD PRO 45 HD1 PRO 45 -4.242 -43.617 -7.552 375 2HD PRO 45 HD2 PRO 45 -4.853 -42.136 -6.781 376 H LYS 46 HN LYS 46 -1.283 -44.371 -7.999 377 HA LYS 46 HA LYS 46 1.471 -44.803 -8.052 378 1HB LYS 46 HB1 LYS 46 -0.789 -45.083 -10.006 379 2HB LYS 46 HB2 LYS 46 0.818 -45.134 -10.662 380 1HG LYS 46 HG1 LYS 46 0.102 -46.929 -8.345 381 2HG LYS 46 HG2 LYS 46 -0.410 -47.348 -9.962 382 1HD LYS 46 HD1 LYS 46 2.495 -46.838 -9.232 383 2HD LYS 46 HD2 LYS 46 1.750 -48.426 -9.202 384 1HE LYS 46 HE1 LYS 46 1.229 -48.211 -11.630 385 2HE LYS 46 HE2 LYS 46 2.049 -46.655 -11.657 386 1HZ LYS 46 HZ3 LYS 46 4.013 -47.782 -10.755 387 2HZ LYS 46 HZ1 LYS 46 3.259 -49.273 -10.972 388 3HZ LYS 46 HZ2 LYS 46 3.681 -48.315 -12.351 389 H CYS 47 HN CYS 47 -0.335 -42.174 -9.507 390 HA CYS 47 HA CYS 47 1.785 -41.094 -11.092 391 1HB CYS 47 HB1 CYS 47 -0.605 -40.665 -11.591 392 2HB CYS 47 HB2 CYS 47 -0.757 -39.802 -10.083 393 H VAL 48 HN VAL 48 0.340 -39.547 -8.083 394 HA VAL 48 HA VAL 48 2.356 -38.061 -7.433 395 HB VAL 48 HB VAL 48 1.549 -39.392 -4.913 396 1HG1 VAL 48 HG12 VAL 48 2.391 -36.979 -5.218 397 2HG1 VAL 48 HG13 VAL 48 0.950 -36.730 -6.224 398 3HG1 VAL 48 HG11 VAL 48 0.781 -37.008 -4.484 399 1HG2 VAL 48 HG22 VAL 48 -0.345 -40.072 -6.014 400 2HG2 VAL 48 HG23 VAL 48 -0.725 -38.827 -4.817 401 3HG2 VAL 48 HG21 VAL 48 -0.731 -38.434 -6.540 402 H LYS 49 HN LYS 49 2.413 -41.521 -6.515 403 HA LYS 49 HA LYS 49 4.919 -41.589 -5.227 404 1HB LYS 49 HB1 LYS 49 3.292 -43.621 -6.719 405 2HB LYS 49 HB2 LYS 49 4.854 -44.068 -6.088 406 1HG LYS 49 HG1 LYS 49 4.159 -43.627 -3.819 407 2HG LYS 49 HG2 LYS 49 2.706 -42.814 -4.360 408 1HD LYS 49 HD1 LYS 49 2.099 -44.953 -3.491 409 2HD LYS 49 HD2 LYS 49 1.808 -44.936 -5.206 410 1HE LYS 49 HE1 LYS 49 4.416 -46.077 -4.309 411 2HE LYS 49 HE2 LYS 49 2.977 -46.978 -3.870 412 1HZ LYS 49 HZ3 LYS 49 2.306 -46.782 -6.259 413 2HZ LYS 49 HZ1 LYS 49 3.877 -46.245 -6.666 414 3HZ LYS 49 HZ2 LYS 49 3.645 -47.764 -5.965 415 H ALA 50 HN ALA 50 4.433 -42.489 -8.684 416 HA ALA 50 HA ALA 50 7.135 -42.605 -9.533 417 1HB ALA 50 HB1 ALA 50 5.168 -43.394 -10.814 418 2HB ALA 50 HB2 ALA 50 4.663 -41.742 -11.081 419 3HB ALA 50 HB3 ALA 50 6.143 -42.352 -11.814 420 H PHE 51 HN PHE 51 4.893 -39.800 -9.513 421 HA PHE 51 HA PHE 51 6.571 -37.750 -10.378 422 1HB PHE 51 HB1 PHE 51 4.023 -37.806 -9.755 423 2HB PHE 51 HB2 PHE 51 4.544 -37.426 -8.137 424 HD1 PHE 51 HD1 PHE 51 3.393 -35.965 -11.117 425 HD2 PHE 51 HD2 PHE 51 6.083 -35.208 -7.916 426 HE1 PHE 51 HE1 PHE 51 3.651 -33.772 -11.882 427 HE2 PHE 51 HE2 PHE 51 6.397 -32.934 -8.730 428 HZ PHE 51 HZ PHE 51 5.237 -32.201 -10.788 429 H LYS 52 HN LYS 52 6.024 -38.706 -6.915 430 HA LYS 52 HA LYS 52 7.781 -36.809 -5.865 431 1HB LYS 52 HB1 LYS 52 5.983 -37.961 -4.606 432 2HB LYS 52 HB2 LYS 52 6.897 -39.447 -4.651 433 1HG LYS 52 HG1 LYS 52 7.153 -38.471 -2.474 434 2HG LYS 52 HG2 LYS 52 8.693 -38.363 -3.278 435 1HD LYS 52 HD1 LYS 52 7.439 -35.887 -3.871 436 2HD LYS 52 HD2 LYS 52 6.946 -36.246 -2.236 437 1HE LYS 52 HE1 LYS 52 8.927 -35.019 -1.987 438 2HE LYS 52 HE2 LYS 52 9.406 -36.686 -1.714 439 1HZ LYS 52 HZ3 LYS 52 9.979 -36.739 -4.217 440 2HZ LYS 52 HZ1 LYS 52 9.774 -35.062 -4.170 441 3HZ LYS 52 HZ2 LYS 52 10.969 -35.792 -3.230 442 H ASP 53 HN ASP 53 8.533 -40.250 -6.708 443 HA ASP 53 HA ASP 53 11.267 -39.935 -5.808 444 1HB ASP 53 HB1 ASP 53 9.964 -42.078 -7.474 445 2HB ASP 53 HB2 ASP 53 11.664 -42.111 -7.009 446 H CYS 54 HN CYS 54 9.920 -39.776 -9.159 447 HA CYS 54 HA CYS 54 12.302 -38.844 -10.307 448 1HB CYS 54 HB1 CYS 54 9.438 -38.660 -11.017 449 2HB CYS 54 HB2 CYS 54 10.550 -37.626 -11.871 450 H CYS 55 HN CYS 55 9.849 -36.831 -8.590 451 HA CYS 55 HA CYS 55 11.129 -34.359 -8.950 452 1HB CYS 55 HB1 CYS 55 8.822 -34.897 -7.970 453 2HB CYS 55 HB2 CYS 55 9.634 -35.126 -6.444 454 OH TYR 56 OH TYR 56 11.716 -37.470 0.192 455 H TYR 56 HN TYR 56 11.771 -36.822 -6.392 456 HA TYR 56 HA TYR 56 13.996 -35.533 -5.267 457 1HB TYR 56 HB1 TYR 56 13.387 -38.463 -5.619 458 2HB TYR 56 HB2 TYR 56 14.913 -37.958 -4.941 459 HD1 TYR 56 HD1 TYR 56 12.100 -39.351 -3.847 460 HD2 TYR 56 HD2 TYR 56 14.275 -35.774 -3.090 461 HE1 TYR 56 HE1 TYR 56 11.197 -39.267 -1.565 462 HE2 TYR 56 HE2 TYR 56 13.363 -35.708 -0.826 463 HH TYR 56 HH TYR 56 12.055 -36.712 0.670 464 H ILE 57 HN ILE 57 14.208 -37.790 -8.203 465 HA ILE 57 HA ILE 57 16.945 -36.950 -8.389 466 HB ILE 57 HB ILE 57 17.184 -37.962 -10.585 467 1HG1 ILE 57 HG11 ILE 57 15.698 -39.806 -11.213 468 2HG1 ILE 57 HG12 ILE 57 14.500 -39.211 -10.085 469 1HG2 ILE 57 HG22 ILE 57 17.954 -38.996 -8.543 470 2HG2 ILE 57 HG23 ILE 57 16.359 -39.664 -8.228 471 3HG2 ILE 57 HG21 ILE 57 17.301 -40.236 -9.602 472 1HD1 ILE 57 HD11 ILE 57 15.493 -37.683 -12.514 473 2HD1 ILE 57 HD12 ILE 57 13.985 -38.598 -12.417 474 3HD1 ILE 57 HD13 ILE 57 14.217 -37.201 -11.376 475 H ALA 58 HN ALA 58 14.100 -35.523 -9.860 476 HA ALA 58 HA ALA 58 15.296 -33.604 -11.518 477 1HB ALA 58 HB2 ALA 58 12.886 -33.947 -11.299 478 2HB ALA 58 HB3 ALA 58 12.929 -33.248 -9.690 479 3HB ALA 58 HB1 ALA 58 13.346 -32.267 -11.093 480 H ASN 59 HN ASN 59 14.639 -33.264 -7.978 481 HA ASN 59 HA ASN 59 16.146 -30.885 -7.672 482 1HB ASN 59 HB1 ASN 59 15.232 -32.958 -5.687 483 2HB ASN 59 HB2 ASN 59 16.246 -31.603 -5.198 484 1HD2 ASN 59 HD21 ASN 59 12.379 -30.935 -5.904 485 2HD2 ASN 59 HD22 ASN 59 13.030 -32.474 -6.402 486 H GLN 60 HN GLN 60 17.313 -34.272 -7.389 487 HA GLN 60 HA GLN 60 19.982 -33.583 -6.805 488 1HB GLN 60 HB1 GLN 60 18.933 -35.964 -8.323 489 2HB GLN 60 HB2 GLN 60 20.622 -35.736 -7.909 490 1HG GLN 60 HG1 GLN 60 19.880 -35.550 -5.452 491 2HG GLN 60 HG2 GLN 60 18.304 -36.122 -5.987 492 1HE2 GLN 60 HE21 GLN 60 21.419 -38.739 -6.207 493 2HE2 GLN 60 HE22 GLN 60 21.785 -37.040 -6.375 494 H VAL 61 HN VAL 61 18.660 -34.091 -10.182 495 HA VAL 61 HA VAL 61 21.111 -33.148 -11.312 496 HB VAL 61 HB VAL 61 20.067 -33.048 -13.469 497 1HG1 VAL 61 HG12 VAL 61 20.959 -35.177 -12.701 498 2HG1 VAL 61 HG13 VAL 61 19.421 -35.582 -11.942 499 3HG1 VAL 61 HG11 VAL 61 19.533 -35.449 -13.694 500 1HG2 VAL 61 HG23 VAL 61 17.784 -32.310 -12.961 501 2HG2 VAL 61 HG21 VAL 61 17.767 -33.815 -13.869 502 3HG2 VAL 61 HG22 VAL 61 17.475 -33.836 -12.134 503 NH1 ARG 62 NH1 ARG 62 14.575 -27.192 -6.047 504 NH2 ARG 62 NH2 ARG 62 14.911 -25.394 -7.253 505 H ARG 62 HN ARG 62 18.248 -31.290 -10.334 506 HA ARG 62 HA ARG 62 19.136 -28.788 -11.288 507 1HB ARG 62 HB1 ARG 62 16.887 -29.401 -10.310 508 2HB ARG 62 HB2 ARG 62 17.620 -29.334 -8.725 509 1HG ARG 62 HG1 ARG 62 17.939 -26.991 -8.816 510 2HG ARG 62 HG2 ARG 62 17.697 -26.930 -10.552 511 1HD ARG 62 HD1 ARG 62 15.715 -26.045 -9.604 512 2HD ARG 62 HD2 ARG 62 15.293 -27.652 -10.127 513 HE ARG 62 HE ARG 62 15.571 -28.376 -7.711 514 1HH1 ARG 62 HH12 ARG 62 14.582 -28.202 -5.924 515 2HH1 ARG 62 HH11 ARG 62 14.218 -26.583 -5.315 516 1HH2 ARG 62 HH22 ARG 62 15.272 -24.979 -8.070 517 2HH2 ARG 62 HH21 ARG 62 14.482 -24.839 -6.527 518 H ALA 63 HN ALA 63 19.945 -30.366 -8.143 519 HA ALA 63 HA ALA 63 21.833 -28.295 -7.447 520 1HB ALA 63 HB2 ALA 63 21.286 -31.015 -6.218 521 2HB ALA 63 HB3 ALA 63 22.305 -29.765 -5.502 522 3HB ALA 63 HB1 ALA 63 20.582 -29.480 -5.726 523 H GLU 64 HN GLU 64 22.342 -31.729 -8.542 524 HA GLU 64 HA GLU 64 25.229 -31.419 -8.311 525 1HB GLU 64 HB1 GLU 64 23.514 -33.720 -9.264 526 2HB GLU 64 HB2 GLU 64 25.258 -33.793 -9.101 527 1HG GLU 64 HG1 GLU 64 25.059 -33.390 -6.646 528 2HG GLU 64 HG2 GLU 64 23.312 -33.274 -6.800 529 H GLN 65 HN GLN 65 24.951 -29.545 -9.880 530 HA GLN 65 HA GLN 65 25.271 -30.375 -12.691 531 1HB GLN 65 HB1 GLN 65 25.020 -27.641 -11.408 532 2HB GLN 65 HB2 GLN 65 25.295 -27.886 -13.122 533 1HG GLN 65 HG1 GLN 65 23.141 -29.109 -13.320 534 2HG GLN 65 HG2 GLN 65 22.844 -28.895 -11.606 535 1HE2 GLN 65 HE21 GLN 65 21.453 -25.716 -12.177 536 2HE2 GLN 65 HE22 GLN 65 21.573 -27.072 -11.085 Start of MODEL 40 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 19.154 -42.336 -6.005 2 2H MET 1 HT2 MET 1 18.260 -41.153 -5.207 3 3H MET 1 HT1 MET 1 19.870 -41.412 -4.770 4 HA MET 1 HA MET 1 19.438 -43.492 -3.816 5 1HB MET 1 HB1 MET 1 17.301 -41.496 -2.991 6 2HB MET 1 HB2 MET 1 17.847 -42.852 -2.034 7 1HG MET 1 HG1 MET 1 19.530 -40.440 -2.793 8 2HG MET 1 HG2 MET 1 18.778 -40.723 -1.246 9 1HE MET 1 HE1 MET 1 21.905 -40.294 -2.575 10 2HE MET 1 HE2 MET 1 22.963 -41.601 -2.102 11 3HE MET 1 HE3 MET 1 21.961 -41.788 -3.536 12 H LEU 2 HN LEU 2 16.170 -42.333 -4.898 13 HA LEU 2 HA LEU 2 15.093 -44.998 -4.567 14 1HB LEU 2 HB1 LEU 2 13.879 -42.364 -5.450 15 2HB LEU 2 HB2 LEU 2 12.954 -43.830 -5.282 16 HG LEU 2 HG LEU 2 14.449 -42.523 -2.985 17 1HD1 LEU 2 HD12 LEU 2 11.501 -42.400 -3.726 18 2HD1 LEU 2 HD13 LEU 2 12.213 -41.744 -2.255 19 3HD1 LEU 2 HD11 LEU 2 12.644 -41.064 -3.816 20 1HD2 LEU 2 HD22 LEU 2 12.299 -44.676 -2.986 21 2HD2 LEU 2 HD23 LEU 2 13.998 -44.942 -2.606 22 3HD2 LEU 2 HD21 LEU 2 13.013 -43.938 -1.558 23 H GLN 3 HN GLN 3 16.979 -45.199 -6.501 24 HA GLN 3 HA GLN 3 16.245 -44.627 -9.189 25 1HB GLN 3 HB1 GLN 3 18.211 -46.776 -8.361 26 2HB GLN 3 HB2 GLN 3 18.177 -45.886 -9.857 27 1HG GLN 3 HG1 GLN 3 19.032 -44.864 -7.126 28 2HG GLN 3 HG2 GLN 3 20.044 -45.118 -8.524 29 1HE2 GLN 3 HE21 GLN 3 18.594 -42.034 -10.024 30 2HE2 GLN 3 HE22 GLN 3 18.706 -43.679 -10.564 31 H LYS 4 HN LYS 4 16.095 -47.634 -7.387 32 HA LYS 4 HA LYS 4 14.970 -49.335 -9.324 33 1HB LYS 4 HB1 LYS 4 16.060 -50.029 -7.189 34 2HB LYS 4 HB2 LYS 4 14.700 -49.395 -6.291 35 1HG LYS 4 HG1 LYS 4 14.409 -51.749 -6.385 36 2HG LYS 4 HG2 LYS 4 13.231 -51.089 -7.490 37 1HD LYS 4 HD1 LYS 4 14.990 -51.575 -9.359 38 2HD LYS 4 HD2 LYS 4 15.834 -52.500 -8.137 39 1HE LYS 4 HE1 LYS 4 14.540 -54.068 -9.325 40 2HE LYS 4 HE2 LYS 4 13.656 -53.809 -7.822 41 1HZ LYS 4 HZ2 LYS 4 12.320 -52.121 -9.008 42 2HZ LYS 4 HZ3 LYS 4 13.107 -52.441 -10.482 43 3HZ LYS 4 HZ1 LYS 4 12.154 -53.647 -9.725 44 H LYS 5 HN LYS 5 13.395 -47.067 -7.125 45 HA LYS 5 HA LYS 5 10.715 -47.877 -7.732 46 1HB LYS 5 HB1 LYS 5 11.950 -45.635 -6.180 47 2HB LYS 5 HB2 LYS 5 10.255 -45.561 -6.607 48 1HG LYS 5 HG1 LYS 5 11.301 -48.054 -5.282 49 2HG LYS 5 HG2 LYS 5 10.969 -46.629 -4.314 50 1HD LYS 5 HD1 LYS 5 8.663 -46.569 -5.035 51 2HD LYS 5 HD2 LYS 5 8.916 -47.837 -6.207 52 1HE LYS 5 HE1 LYS 5 9.311 -48.318 -3.252 53 2HE LYS 5 HE2 LYS 5 7.731 -48.446 -4.022 54 1HZ LYS 5 HZ3 LYS 5 8.651 -50.054 -5.650 55 2HZ LYS 5 HZ1 LYS 5 10.167 -49.911 -4.880 56 3HZ LYS 5 HZ2 LYS 5 8.865 -50.593 -4.043 57 H ILE 6 HN ILE 6 12.690 -45.106 -9.031 58 HA ILE 6 HA ILE 6 10.699 -44.361 -10.939 59 HB ILE 6 HB ILE 6 13.680 -44.083 -11.334 60 1HG1 ILE 6 HG11 ILE 6 12.836 -41.549 -11.125 61 2HG1 ILE 6 HG12 ILE 6 11.583 -42.297 -10.184 62 1HG2 ILE 6 HG21 ILE 6 11.449 -42.810 -13.039 63 2HG2 ILE 6 HG22 ILE 6 13.149 -42.424 -13.140 64 3HG2 ILE 6 HG23 ILE 6 12.595 -44.020 -13.584 65 1HD1 ILE 6 HD11 ILE 6 14.563 -42.504 -9.648 66 2HD1 ILE 6 HD12 ILE 6 13.419 -41.494 -8.770 67 3HD1 ILE 6 HD13 ILE 6 13.313 -43.245 -8.656 68 H GLU 7 HN GLU 7 13.317 -46.791 -11.238 69 HA GLU 7 HA GLU 7 12.640 -47.791 -13.770 70 1HB GLU 7 HB1 GLU 7 14.711 -48.267 -12.490 71 2HB GLU 7 HB2 GLU 7 13.797 -49.280 -11.403 72 1HG GLU 7 HG1 GLU 7 13.924 -49.938 -14.365 73 2HG GLU 7 HG2 GLU 7 15.216 -50.409 -13.288 74 H GLU 8 HN GLU 8 11.300 -49.032 -10.605 75 HA GLU 8 HA GLU 8 9.477 -50.810 -11.820 76 1HB GLU 8 HB1 GLU 8 10.145 -50.824 -9.463 77 2HB GLU 8 HB2 GLU 8 9.365 -49.283 -9.193 78 1HG GLU 8 HG1 GLU 8 7.142 -50.282 -9.432 79 2HG GLU 8 HG2 GLU 8 7.838 -51.821 -9.920 80 H GLU 9 HN GLU 9 8.843 -47.383 -10.931 81 HA GLU 9 HA GLU 9 6.120 -47.383 -11.973 82 1HB GLU 9 HB1 GLU 9 8.005 -45.158 -11.163 83 2HB GLU 9 HB2 GLU 9 6.325 -44.931 -11.597 84 1HG GLU 9 HG1 GLU 9 7.238 -46.707 -9.276 85 2HG GLU 9 HG2 GLU 9 6.807 -45.028 -9.076 86 H ALA 10 HN ALA 10 9.121 -46.037 -13.433 87 HA ALA 10 HA ALA 10 7.717 -46.416 -16.019 88 1HB ALA 10 HB1 ALA 10 8.674 -44.141 -15.530 89 2HB ALA 10 HB2 ALA 10 10.251 -44.855 -15.230 90 3HB ALA 10 HB3 ALA 10 9.584 -44.864 -16.854 91 H ALA 11 HN ALA 11 8.913 -48.924 -14.891 92 HA ALA 11 HA ALA 11 10.836 -49.893 -16.483 93 1HB ALA 11 HB1 ALA 11 9.747 -51.110 -14.700 94 2HB ALA 11 HB2 ALA 11 8.259 -51.242 -15.630 95 3HB ALA 11 HB3 ALA 11 9.707 -52.090 -16.172 96 H LYS 12 HN LYS 12 9.156 -48.184 -18.294 97 HA LYS 12 HA LYS 12 7.921 -48.077 -20.236 98 1HB LYS 12 HB1 LYS 12 10.286 -49.803 -20.907 99 2HB LYS 12 HB2 LYS 12 9.247 -49.091 -22.123 100 1HG LYS 12 HG1 LYS 12 9.766 -46.820 -21.275 101 2HG LYS 12 HG2 LYS 12 10.782 -47.504 -20.022 102 1HD LYS 12 HD1 LYS 12 11.326 -47.893 -22.976 103 2HD LYS 12 HD2 LYS 12 11.979 -46.555 -22.051 104 1HE LYS 12 HE1 LYS 12 13.112 -48.169 -20.536 105 2HE LYS 12 HE2 LYS 12 12.501 -49.501 -21.515 106 1HZ LYS 12 HZ3 LYS 12 13.582 -48.538 -23.442 107 2HZ LYS 12 HZ1 LYS 12 14.182 -47.268 -22.502 108 3HZ LYS 12 HZ2 LYS 12 14.721 -48.850 -22.227 109 OH TYR 13 OH TYR 13 4.029 -48.509 -13.646 110 H TYR 13 HN TYR 13 6.081 -49.349 -19.137 111 HA TYR 13 HA TYR 13 5.956 -52.132 -20.015 112 1HB TYR 13 HB1 TYR 13 5.542 -52.810 -17.733 113 2HB TYR 13 HB2 TYR 13 7.028 -51.920 -17.827 114 HD1 TYR 13 HD1 TYR 13 4.328 -52.437 -15.824 115 HD2 TYR 13 HD2 TYR 13 6.646 -49.050 -17.150 116 HE1 TYR 13 HE1 TYR 13 3.475 -51.058 -13.988 117 HE2 TYR 13 HE2 TYR 13 5.631 -47.757 -15.471 118 HH TYR 13 HH TYR 13 4.492 -47.663 -13.775 119 H LYS 14 HN LYS 14 3.502 -51.773 -17.907 120 HA LYS 14 HA LYS 14 1.471 -51.800 -19.975 121 1HB LYS 14 HB1 LYS 14 1.172 -51.860 -16.946 122 2HB LYS 14 HB2 LYS 14 -0.076 -52.216 -18.111 123 1HG LYS 14 HG1 LYS 14 1.002 -54.284 -18.753 124 2HG LYS 14 HG2 LYS 14 2.430 -53.902 -17.807 125 1HD LYS 14 HD1 LYS 14 1.242 -55.376 -16.412 126 2HD LYS 14 HD2 LYS 14 0.843 -53.803 -15.761 127 1HE LYS 14 HE1 LYS 14 -1.283 -53.982 -17.305 128 2HE LYS 14 HE2 LYS 14 -0.877 -55.693 -17.355 129 1HZ LYS 14 HZ3 LYS 14 -0.725 -55.529 -14.847 130 2HZ LYS 14 HZ1 LYS 14 -1.504 -54.000 -14.945 131 3HZ LYS 14 HZ2 LYS 14 -2.279 -55.413 -15.498 132 OH TYR 15 OH TYR 15 -2.073 -52.742 -14.322 133 H TYR 15 HN TYR 15 2.215 -49.717 -17.195 134 HA TYR 15 HA TYR 15 -0.091 -48.031 -17.789 135 1HB TYR 15 HB1 TYR 15 1.728 -48.047 -15.366 136 2HB TYR 15 HB2 TYR 15 0.244 -47.134 -15.542 137 HD1 TYR 15 HD1 TYR 15 1.464 -49.988 -14.060 138 HD2 TYR 15 HD2 TYR 15 -1.824 -48.787 -16.455 139 HE1 TYR 15 HE1 TYR 15 0.259 -52.051 -13.449 140 HE2 TYR 15 HE2 TYR 15 -3.035 -50.816 -15.810 141 HH TYR 15 HH TYR 15 -2.995 -52.650 -14.590 142 H ALA 16 HN ALA 16 0.931 -47.418 -19.676 143 HA ALA 16 HA ALA 16 3.142 -45.808 -20.090 144 1HB ALA 16 HB1 ALA 16 1.908 -46.905 -21.866 145 2HB ALA 16 HB2 ALA 16 0.514 -45.863 -21.603 146 3HB ALA 16 HB3 ALA 16 2.021 -45.185 -22.213 147 H MET 17 HN MET 17 -0.115 -44.678 -19.371 148 HA MET 17 HA MET 17 0.403 -41.868 -19.449 149 1HB MET 17 HB1 MET 17 -1.821 -42.985 -19.732 150 2HB MET 17 HB2 MET 17 -1.806 -43.401 -18.030 151 1HG MET 17 HG1 MET 17 -1.799 -40.982 -17.443 152 2HG MET 17 HG2 MET 17 -1.804 -40.571 -19.145 153 1HE MET 17 HE3 MET 17 -3.852 -41.508 -20.812 154 2HE MET 17 HE1 MET 17 -5.379 -40.863 -20.236 155 3HE MET 17 HE2 MET 17 -3.962 -39.828 -20.243 156 H LEU 18 HN LEU 18 0.921 -44.273 -16.957 157 HA LEU 18 HA LEU 18 1.024 -42.245 -14.844 158 1HB LEU 18 HB1 LEU 18 1.083 -45.255 -14.554 159 2HB LEU 18 HB2 LEU 18 0.900 -44.077 -13.269 160 HG LEU 18 HG LEU 18 -1.093 -44.415 -15.552 161 1HD1 LEU 18 HD11 LEU 18 -1.161 -46.401 -14.090 162 2HD1 LEU 18 HD12 LEU 18 -1.394 -45.350 -12.701 163 3HD1 LEU 18 HD13 LEU 18 -2.620 -45.435 -13.953 164 1HD2 LEU 18 HD22 LEU 18 -1.303 -42.859 -12.969 165 2HD2 LEU 18 HD23 LEU 18 -1.170 -42.154 -14.574 166 3HD2 LEU 18 HD21 LEU 18 -2.610 -43.060 -14.139 167 H LYS 19 HN LYS 19 3.391 -44.804 -16.098 168 HA LYS 19 HA LYS 19 5.555 -43.346 -15.245 169 1HB LYS 19 HB1 LYS 19 6.844 -44.307 -16.966 170 2HB LYS 19 HB2 LYS 19 5.670 -45.491 -16.453 171 1HG LYS 19 HG1 LYS 19 5.346 -45.864 -18.648 172 2HG LYS 19 HG2 LYS 19 4.430 -44.375 -18.641 173 1HD LYS 19 HD1 LYS 19 6.678 -43.184 -19.141 174 2HD LYS 19 HD2 LYS 19 7.315 -44.779 -19.459 175 1HE LYS 19 HE1 LYS 19 6.723 -43.909 -21.573 176 2HE LYS 19 HE2 LYS 19 5.462 -45.070 -21.178 177 1HZ LYS 19 HZ3 LYS 19 5.304 -42.157 -20.659 178 2HZ LYS 19 HZ1 LYS 19 4.563 -42.923 -21.971 179 3HZ LYS 19 HZ2 LYS 19 4.025 -43.239 -20.384 180 H LYS 20 HN LYS 20 3.505 -42.254 -18.087 181 HA LYS 20 HA LYS 20 5.092 -39.953 -18.536 182 1HB LYS 20 HB1 LYS 20 3.205 -40.817 -19.981 183 2HB LYS 20 HB2 LYS 20 2.085 -40.139 -18.828 184 1HG LYS 20 HG1 LYS 20 4.093 -38.229 -19.905 185 2HG LYS 20 HG2 LYS 20 2.948 -38.851 -21.074 186 1HD LYS 20 HD1 LYS 20 1.068 -38.083 -19.657 187 2HD LYS 20 HD2 LYS 20 2.199 -37.462 -18.474 188 1HE LYS 20 HE1 LYS 20 2.126 -36.497 -21.342 189 2HE LYS 20 HE2 LYS 20 1.191 -35.760 -20.046 190 1HZ LYS 20 HZ1 LYS 20 4.137 -36.114 -19.988 191 2HZ LYS 20 HZ2 LYS 20 3.354 -34.658 -20.349 192 3HZ LYS 20 HZ3 LYS 20 3.244 -35.316 -18.778 193 H CYS 21 HN CYS 21 2.406 -40.330 -16.054 194 HA CYS 21 HA CYS 21 2.742 -37.927 -14.730 195 1HB CYS 21 HB1 CYS 21 2.276 -40.669 -13.590 196 2HB CYS 21 HB2 CYS 21 2.303 -39.238 -12.596 197 H CYS 22 HN CYS 22 4.817 -40.821 -14.108 198 HA CYS 22 HA CYS 22 7.010 -39.611 -12.730 199 1HB CYS 22 HB1 CYS 22 6.683 -42.035 -13.681 200 2HB CYS 22 HB2 CYS 22 7.767 -41.392 -14.864 201 OH TYR 23 OH TYR 23 10.940 -43.256 -18.378 202 H TYR 23 HN TYR 23 6.611 -39.479 -16.201 203 HA TYR 23 HA TYR 23 8.843 -37.704 -16.292 204 1HB TYR 23 HB1 TYR 23 6.967 -38.553 -18.433 205 2HB TYR 23 HB2 TYR 23 8.512 -37.753 -18.660 206 HD1 TYR 23 HD1 TYR 23 9.149 -40.107 -15.779 207 HD2 TYR 23 HD2 TYR 23 8.147 -40.113 -19.972 208 HE1 TYR 23 HE1 TYR 23 10.626 -41.961 -16.186 209 HE2 TYR 23 HE2 TYR 23 9.576 -42.100 -20.281 210 HH TYR 23 HH TYR 23 10.915 -43.561 -19.285 211 H ASP 24 HN ASP 24 5.414 -36.903 -16.163 212 HA ASP 24 HA ASP 24 5.679 -34.077 -16.130 213 1HB ASP 24 HB1 ASP 24 3.897 -35.678 -14.249 214 2HB ASP 24 HB2 ASP 24 3.774 -33.984 -14.645 215 H GLY 25 HN GLY 25 6.182 -36.312 -13.370 216 1HA GLY 25 HA1 GLY 25 7.217 -34.466 -11.516 217 2HA GLY 25 HA2 GLY 25 7.595 -36.167 -11.540 218 H ALA 26 HN ALA 26 9.053 -36.407 -13.847 219 HA ALA 26 HA ALA 26 11.613 -35.326 -13.294 220 1HB ALA 26 HB1 ALA 26 11.312 -37.395 -14.576 221 2HB ALA 26 HB2 ALA 26 10.593 -36.486 -15.904 222 3HB ALA 26 HB3 ALA 26 12.282 -36.241 -15.482 223 OH TYR 27 OH TYR 27 8.658 -26.889 -19.500 224 H TYR 27 HN TYR 27 9.248 -34.179 -15.806 225 HA TYR 27 HA TYR 27 10.795 -31.846 -16.401 226 1HB TYR 27 HB1 TYR 27 9.083 -32.818 -17.931 227 2HB TYR 27 HB2 TYR 27 7.830 -32.334 -16.807 228 HD1 TYR 27 HD1 TYR 27 10.628 -30.882 -18.865 229 HD2 TYR 27 HD2 TYR 27 6.896 -30.147 -16.971 230 HE1 TYR 27 HE1 TYR 27 10.577 -28.638 -19.834 231 HE2 TYR 27 HE2 TYR 27 6.841 -27.898 -17.978 232 HH TYR 27 HH TYR 27 9.450 -26.739 -20.019 233 NH1 ARG 28 NH1 ARG 28 14.153 -29.865 -7.927 234 NH2 ARG 28 NH2 ARG 28 12.380 -28.962 -7.068 235 H ARG 28 HN ARG 28 11.310 -31.459 -14.076 236 HA ARG 28 HA ARG 28 9.353 -29.651 -12.803 237 1HB ARG 28 HB1 ARG 28 10.630 -31.608 -11.683 238 2HB ARG 28 HB2 ARG 28 11.994 -30.512 -11.674 239 1HG ARG 28 HG1 ARG 28 9.384 -29.606 -10.469 240 2HG ARG 28 HG2 ARG 28 10.369 -30.754 -9.598 241 1HD ARG 28 HD1 ARG 28 11.387 -28.060 -10.502 242 2HD ARG 28 HD2 ARG 28 10.686 -28.386 -8.929 243 HE ARG 28 HE ARG 28 13.137 -29.743 -9.982 244 1HH1 ARG 28 HH12 ARG 28 14.658 -30.279 -8.675 245 2HH1 ARG 28 HH11 ARG 28 14.531 -29.777 -7.014 246 1HH2 ARG 28 HH22 ARG 28 11.456 -28.565 -7.118 247 2HH2 ARG 28 HH21 ARG 28 12.851 -29.023 -6.201 248 H ASN 29 HN ASN 29 9.600 -28.149 -14.534 249 HA ASN 29 HA ASN 29 11.815 -26.226 -14.033 250 1HB ASN 29 HB1 ASN 29 10.407 -26.780 -16.672 251 2HB ASN 29 HB2 ASN 29 11.542 -25.473 -16.409 252 1HD2 ASN 29 HD21 ASN 29 14.323 -27.578 -15.976 253 2HD2 ASN 29 HD22 ASN 29 13.213 -27.868 -14.668 254 H ASP 30 HN ASP 30 8.404 -26.487 -14.787 255 HA ASP 30 HA ASP 30 7.609 -23.827 -14.601 256 1HB ASP 30 HB1 ASP 30 5.322 -24.921 -13.924 257 2HB ASP 30 HB2 ASP 30 6.015 -25.281 -15.496 258 H ASP 31 HN ASP 31 7.033 -26.072 -11.794 259 HA ASP 31 HA ASP 31 7.470 -23.726 -10.043 260 1HB ASP 31 HB1 ASP 31 5.623 -26.100 -9.562 261 2HB ASP 31 HB2 ASP 31 5.848 -24.747 -8.470 262 H GLU 32 HN GLU 32 8.938 -23.919 -8.464 263 HA GLU 32 HA GLU 32 10.800 -25.989 -8.222 264 1HB GLU 32 HB1 GLU 32 10.082 -23.640 -6.472 265 2HB GLU 32 HB2 GLU 32 11.250 -24.803 -5.901 266 1HG GLU 32 HG1 GLU 32 11.573 -23.335 -8.551 267 2HG GLU 32 HG2 GLU 32 12.237 -22.755 -7.035 268 H THR 33 HN THR 33 8.012 -25.404 -6.032 269 HA THR 33 HA THR 33 8.729 -27.623 -4.337 270 HB THR 33 HB THR 33 6.200 -25.955 -4.251 271 HG1 THR 33 HG1 THR 33 8.607 -25.595 -2.767 272 1HG2 THR 33 HG23 THR 33 7.672 -27.475 -2.061 273 2HG2 THR 33 HG21 THR 33 6.241 -26.476 -1.858 274 3HG2 THR 33 HG22 THR 33 6.137 -27.977 -2.770 275 H CYS 34 HN CYS 34 8.440 -29.601 -5.046 276 HA CYS 34 HA CYS 34 6.814 -30.606 -7.026 277 1HB CYS 34 HB1 CYS 34 8.100 -31.923 -4.617 278 2HB CYS 34 HB2 CYS 34 7.245 -32.847 -5.828 279 H GLU 35 HN GLU 35 6.126 -30.679 -3.562 280 HA GLU 35 HA GLU 35 3.707 -32.165 -3.764 281 1HB GLU 35 HB1 GLU 35 5.145 -31.986 -1.706 282 2HB GLU 35 HB2 GLU 35 4.698 -30.307 -1.539 283 1HG GLU 35 HG1 GLU 35 3.381 -31.476 0.072 284 2HG GLU 35 HG2 GLU 35 2.260 -31.100 -1.217 285 H GLU 36 HN GLU 36 4.215 -28.658 -3.962 286 HA GLU 36 HA GLU 36 1.455 -27.914 -3.673 287 1HB GLU 36 HB1 GLU 36 3.381 -26.368 -3.351 288 2HB GLU 36 HB2 GLU 36 3.749 -26.452 -5.054 289 1HG GLU 36 HG1 GLU 36 1.092 -25.364 -4.013 290 2HG GLU 36 HG2 GLU 36 2.504 -24.352 -4.219 291 NH1 ARG 37 NH1 ARG 37 7.427 -31.722 -11.732 292 NH2 ARG 37 NH2 ARG 37 6.691 -29.918 -12.678 293 H ARG 37 HN ARG 37 3.523 -28.243 -6.569 294 HA ARG 37 HA ARG 37 1.360 -28.087 -8.396 295 1HB ARG 37 HB1 ARG 37 2.840 -28.574 -10.130 296 2HB ARG 37 HB2 ARG 37 3.669 -27.536 -9.001 297 1HG ARG 37 HG1 ARG 37 4.915 -29.539 -8.133 298 2HG ARG 37 HG2 ARG 37 4.128 -30.520 -9.361 299 1HD ARG 37 HD1 ARG 37 5.059 -28.743 -11.035 300 2HD ARG 37 HD2 ARG 37 6.162 -28.336 -9.724 301 HE ARG 37 HE ARG 37 6.661 -30.882 -9.719 302 1HH1 ARG 37 HH12 ARG 37 7.630 -32.277 -10.940 303 2HH1 ARG 37 HH11 ARG 37 7.692 -32.005 -12.654 304 1HH2 ARG 37 HH22 ARG 37 6.214 -29.033 -12.661 305 2HH2 ARG 37 HH21 ARG 37 7.119 -30.265 -13.527 306 H ALA 38 HN ALA 38 2.940 -31.052 -6.982 307 HA ALA 38 HA ALA 38 0.940 -32.674 -8.271 308 1HB ALA 38 HB3 ALA 38 3.199 -33.318 -6.454 309 2HB ALA 38 HB1 ALA 38 2.079 -34.522 -7.151 310 3HB ALA 38 HB2 ALA 38 2.993 -33.482 -8.237 311 H ALA 39 HN ALA 39 0.651 -31.006 -5.133 312 HA ALA 39 HA ALA 39 -1.805 -32.331 -4.653 313 1HB ALA 39 HB3 ALA 39 -0.837 -30.733 -3.070 314 2HB ALA 39 HB1 ALA 39 -1.060 -29.420 -4.222 315 3HB ALA 39 HB2 ALA 39 -2.466 -30.227 -3.520 316 NH1 ARG 40 NH1 ARG 40 1.584 -25.299 -9.433 317 NH2 ARG 40 NH2 ARG 40 0.245 -25.964 -11.002 318 H ARG 40 HN ARG 40 -1.055 -29.692 -6.975 319 HA ARG 40 HA ARG 40 -3.682 -29.665 -8.105 320 1HB ARG 40 HB1 ARG 40 -1.054 -28.755 -9.270 321 2HB ARG 40 HB2 ARG 40 -2.602 -28.534 -10.069 322 1HG ARG 40 HG1 ARG 40 -3.390 -27.254 -8.028 323 2HG ARG 40 HG2 ARG 40 -1.765 -27.383 -7.384 324 1HD ARG 40 HD1 ARG 40 -2.182 -26.147 -10.093 325 2HD ARG 40 HD2 ARG 40 -2.518 -25.222 -8.653 326 HE ARG 40 HE ARG 40 -0.173 -25.547 -7.927 327 1HH1 ARG 40 HH12 ARG 40 1.783 -25.072 -8.470 328 2HH1 ARG 40 HH11 ARG 40 2.323 -25.224 -10.121 329 1HH2 ARG 40 HH22 ARG 40 -0.642 -26.284 -11.289 330 2HH2 ARG 40 HH21 ARG 40 1.015 -25.863 -11.615 331 H ILE 41 HN ILE 41 -0.827 -31.537 -9.360 332 HA ILE 41 HA ILE 41 -2.354 -33.045 -11.128 333 HB ILE 41 HB ILE 41 0.412 -33.897 -10.167 334 1HG1 ILE 41 HG11 ILE 41 0.442 -33.140 -12.840 335 2HG1 ILE 41 HG12 ILE 41 -0.655 -31.947 -12.132 336 1HG2 ILE 41 HG23 ILE 41 -1.270 -34.940 -12.329 337 2HG2 ILE 41 HG21 ILE 41 0.504 -35.144 -11.999 338 3HG2 ILE 41 HG22 ILE 41 -0.732 -35.808 -10.879 339 1HD1 ILE 41 HD11 ILE 41 1.894 -32.688 -10.805 340 2HD1 ILE 41 HD12 ILE 41 1.837 -31.382 -12.040 341 3HD1 ILE 41 HD13 ILE 41 0.923 -31.272 -10.529 342 H LYS 42 HN LYS 42 -3.908 -33.594 -10.428 343 HA LYS 42 HA LYS 42 -4.660 -35.099 -8.048 344 1HB LYS 42 HB1 LYS 42 -6.313 -34.101 -10.391 345 2HB LYS 42 HB2 LYS 42 -7.009 -34.955 -9.037 346 1HG LYS 42 HG1 LYS 42 -5.571 -32.309 -8.823 347 2HG LYS 42 HG2 LYS 42 -7.311 -32.497 -8.937 348 1HD LYS 42 HD1 LYS 42 -7.169 -33.928 -6.813 349 2HD LYS 42 HD2 LYS 42 -5.510 -33.386 -6.664 350 1HE LYS 42 HE1 LYS 42 -7.949 -31.594 -6.656 351 2HE LYS 42 HE2 LYS 42 -7.015 -32.081 -5.246 352 1HZ LYS 42 HZ1 LYS 42 -4.991 -31.074 -6.318 353 2HZ LYS 42 HZ2 LYS 42 -6.023 -30.526 -7.559 354 3HZ LYS 42 HZ3 LYS 42 -6.241 -29.937 -5.986 355 H ILE 43 HN ILE 43 -3.697 -36.369 -11.039 356 HA ILE 43 HA ILE 43 -5.976 -37.674 -11.968 357 HB ILE 43 HB ILE 43 -3.073 -38.148 -12.625 358 1HG1 ILE 43 HG11 ILE 43 -5.154 -36.662 -14.246 359 2HG1 ILE 43 HG12 ILE 43 -4.177 -35.846 -13.052 360 1HG2 ILE 43 HG21 ILE 43 -5.500 -39.125 -14.178 361 2HG2 ILE 43 HG22 ILE 43 -3.837 -39.211 -14.744 362 3HG2 ILE 43 HG23 ILE 43 -4.330 -40.149 -13.359 363 1HD1 ILE 43 HD13 ILE 43 -2.114 -36.500 -14.293 364 2HD1 ILE 43 HD11 ILE 43 -3.108 -37.259 -15.527 365 3HD1 ILE 43 HD12 ILE 43 -3.209 -35.527 -15.269 366 H GLY 44 HN GLY 44 -3.458 -39.216 -9.927 367 1HA GLY 44 HA1 GLY 44 -5.372 -40.940 -8.785 368 2HA GLY 44 HA2 GLY 44 -4.515 -41.848 -10.008 369 HA PRO 45 HA PRO 45 -2.225 -41.875 -5.660 370 1HB PRO 45 HB1 PRO 45 -3.022 -44.781 -6.039 371 2HB PRO 45 HB2 PRO 45 -2.729 -43.876 -4.542 372 1HG PRO 45 HG1 PRO 45 -5.226 -44.205 -5.306 373 2HG PRO 45 HG2 PRO 45 -4.720 -42.573 -4.820 374 1HD PRO 45 HD1 PRO 45 -4.999 -43.713 -7.621 375 2HD PRO 45 HD2 PRO 45 -5.588 -42.168 -6.969 376 H LYS 46 HN LYS 46 -2.115 -44.383 -8.148 377 HA LYS 46 HA LYS 46 0.651 -44.982 -8.127 378 1HB LYS 46 HB1 LYS 46 -1.215 -46.339 -9.082 379 2HB LYS 46 HB2 LYS 46 -1.417 -45.160 -10.349 380 1HG LYS 46 HG1 LYS 46 -0.264 -46.827 -11.433 381 2HG LYS 46 HG2 LYS 46 1.043 -45.756 -10.983 382 1HD LYS 46 HD1 LYS 46 1.768 -47.233 -9.238 383 2HD LYS 46 HD2 LYS 46 0.295 -48.185 -9.332 384 1HE LYS 46 HE1 LYS 46 1.971 -49.468 -10.443 385 2HE LYS 46 HE2 LYS 46 0.966 -48.798 -11.721 386 1HZ LYS 46 HZ2 LYS 46 2.595 -46.912 -11.764 387 2HZ LYS 46 HZ3 LYS 46 3.626 -47.794 -10.746 388 3HZ LYS 46 HZ1 LYS 46 3.287 -48.347 -12.371 389 H CYS 47 HN CYS 47 -1.148 -42.451 -9.820 390 HA CYS 47 HA CYS 47 0.963 -41.488 -11.480 391 1HB CYS 47 HB1 CYS 47 -1.376 -40.972 -11.996 392 2HB CYS 47 HB2 CYS 47 -1.539 -40.119 -10.487 393 H VAL 48 HN VAL 48 -0.397 -39.803 -8.524 394 HA VAL 48 HA VAL 48 1.690 -38.301 -8.070 395 HB VAL 48 HB VAL 48 0.905 -39.094 -5.383 396 1HG1 VAL 48 HG12 VAL 48 1.579 -36.742 -6.252 397 2HG1 VAL 48 HG13 VAL 48 0.106 -36.795 -7.230 398 3HG1 VAL 48 HG11 VAL 48 -0.007 -36.707 -5.471 399 1HG2 VAL 48 HG21 VAL 48 -0.959 -40.114 -6.221 400 2HG2 VAL 48 HG22 VAL 48 -1.390 -38.646 -5.338 401 3HG2 VAL 48 HG23 VAL 48 -1.455 -38.671 -7.100 402 H LYS 49 HN LYS 49 1.612 -41.674 -6.926 403 HA LYS 49 HA LYS 49 4.088 -41.701 -5.598 404 1HB LYS 49 HB1 LYS 49 2.098 -43.578 -6.248 405 2HB LYS 49 HB2 LYS 49 3.535 -44.237 -6.970 406 1HG LYS 49 HG1 LYS 49 4.306 -43.370 -4.341 407 2HG LYS 49 HG2 LYS 49 2.712 -44.043 -4.163 408 1HD LYS 49 HD1 LYS 49 4.451 -45.710 -3.710 409 2HD LYS 49 HD2 LYS 49 3.434 -46.180 -5.052 410 1HE LYS 49 HE1 LYS 49 5.828 -46.713 -5.404 411 2HE LYS 49 HE2 LYS 49 5.168 -45.675 -6.653 412 1HZ LYS 49 HZ1 LYS 49 6.043 -43.763 -5.365 413 2HZ LYS 49 HZ2 LYS 49 6.869 -44.829 -4.355 414 3HZ LYS 49 HZ3 LYS 49 7.259 -44.660 -6.025 415 H ALA 50 HN ALA 50 3.619 -42.747 -9.026 416 HA ALA 50 HA ALA 50 6.275 -42.827 -9.953 417 1HB ALA 50 HB1 ALA 50 4.266 -43.506 -11.192 418 2HB ALA 50 HB2 ALA 50 3.778 -41.832 -11.356 419 3HB ALA 50 HB3 ALA 50 5.238 -42.411 -12.154 420 H PHE 51 HN PHE 51 4.108 -39.976 -9.882 421 HA PHE 51 HA PHE 51 5.813 -37.967 -10.769 422 1HB PHE 51 HB1 PHE 51 3.272 -37.969 -10.128 423 2HB PHE 51 HB2 PHE 51 3.813 -37.573 -8.516 424 HD1 PHE 51 HD1 PHE 51 2.679 -36.139 -11.524 425 HD2 PHE 51 HD2 PHE 51 5.416 -35.382 -8.350 426 HE1 PHE 51 HE1 PHE 51 2.976 -33.975 -12.334 427 HE2 PHE 51 HE2 PHE 51 5.774 -33.133 -9.232 428 HZ PHE 51 HZ PHE 51 4.648 -32.428 -11.305 429 H LYS 52 HN LYS 52 5.262 -38.848 -7.293 430 HA LYS 52 HA LYS 52 7.208 -37.126 -6.283 431 1HB LYS 52 HB1 LYS 52 5.555 -39.303 -5.226 432 2HB LYS 52 HB2 LYS 52 7.116 -39.273 -4.444 433 1HG LYS 52 HG1 LYS 52 5.770 -37.939 -3.089 434 2HG LYS 52 HG2 LYS 52 6.714 -36.787 -4.006 435 1HD LYS 52 HD1 LYS 52 4.786 -36.364 -5.494 436 2HD LYS 52 HD2 LYS 52 3.848 -37.577 -4.634 437 1HE LYS 52 HE1 LYS 52 4.222 -36.221 -2.519 438 2HE LYS 52 HE2 LYS 52 4.950 -34.976 -3.526 439 1HZ LYS 52 HZ3 LYS 52 2.205 -36.056 -3.848 440 2HZ LYS 52 HZ1 LYS 52 2.547 -34.563 -3.101 441 3HZ LYS 52 HZ2 LYS 52 2.875 -34.814 -4.771 442 H ASP 53 HN ASP 53 7.674 -40.596 -7.215 443 HA ASP 53 HA ASP 53 10.400 -40.721 -6.412 444 1HB ASP 53 HB1 ASP 53 8.950 -42.250 -8.595 445 2HB ASP 53 HB2 ASP 53 10.580 -42.612 -8.065 446 H CYS 54 HN CYS 54 9.137 -39.993 -9.700 447 HA CYS 54 HA CYS 54 11.634 -39.146 -10.709 448 1HB CYS 54 HB1 CYS 54 8.825 -38.809 -11.582 449 2HB CYS 54 HB2 CYS 54 10.083 -37.907 -12.377 450 H CYS 55 HN CYS 55 9.162 -37.102 -9.034 451 HA CYS 55 HA CYS 55 10.661 -34.726 -9.264 452 1HB CYS 55 HB1 CYS 55 8.233 -35.435 -8.110 453 2HB CYS 55 HB2 CYS 55 9.182 -34.926 -6.732 454 OH TYR 56 OH TYR 56 11.002 -37.034 -0.132 455 H TYR 56 HN TYR 56 10.996 -37.342 -6.830 456 HA TYR 56 HA TYR 56 13.226 -36.213 -5.537 457 1HB TYR 56 HB1 TYR 56 12.235 -39.006 -5.804 458 2HB TYR 56 HB2 TYR 56 13.879 -38.777 -5.246 459 HD1 TYR 56 HD1 TYR 56 10.326 -38.034 -4.453 460 HD2 TYR 56 HD2 TYR 56 14.332 -37.786 -3.066 461 HE1 TYR 56 HE1 TYR 56 9.520 -37.491 -2.180 462 HE2 TYR 56 HE2 TYR 56 13.521 -37.237 -0.817 463 HH TYR 56 HH TYR 56 11.737 -36.902 0.467 464 H ILE 57 HN ILE 57 13.428 -38.276 -8.628 465 HA ILE 57 HA ILE 57 16.196 -37.593 -8.639 466 HB ILE 57 HB ILE 57 16.424 -38.190 -11.013 467 1HG1 ILE 57 HG11 ILE 57 14.935 -39.976 -11.852 468 2HG1 ILE 57 HG12 ILE 57 13.748 -39.476 -10.669 469 1HG2 ILE 57 HG22 ILE 57 15.712 -40.229 -8.918 470 2HG2 ILE 57 HG23 ILE 57 16.558 -40.595 -10.420 471 3HG2 ILE 57 HG21 ILE 57 17.287 -39.517 -9.243 472 1HD1 ILE 57 HD11 ILE 57 14.836 -37.694 -12.878 473 2HD1 ILE 57 HD12 ILE 57 13.291 -38.549 -12.916 474 3HD1 ILE 57 HD13 ILE 57 13.563 -37.308 -11.700 475 H ALA 58 HN ALA 58 13.529 -35.724 -9.998 476 HA ALA 58 HA ALA 58 15.030 -33.633 -11.150 477 1HB ALA 58 HB3 ALA 58 12.617 -33.809 -11.316 478 2HB ALA 58 HB1 ALA 58 12.458 -33.472 -9.593 479 3HB ALA 58 HB2 ALA 58 13.105 -32.247 -10.670 480 H ASN 59 HN ASN 59 14.096 -34.009 -7.689 481 HA ASN 59 HA ASN 59 15.741 -31.904 -6.735 482 1HB ASN 59 HB1 ASN 59 14.494 -34.273 -5.369 483 2HB ASN 59 HB2 ASN 59 15.601 -33.215 -4.504 484 1HD2 ASN 59 HD21 ASN 59 11.928 -31.804 -5.441 485 2HD2 ASN 59 HD22 ASN 59 12.476 -33.240 -6.254 486 H GLN 60 HN GLN 60 16.639 -35.393 -7.061 487 HA GLN 60 HA GLN 60 19.309 -35.055 -6.258 488 1HB GLN 60 HB1 GLN 60 18.188 -36.964 -8.305 489 2HB GLN 60 HB2 GLN 60 19.839 -37.013 -7.730 490 1HG GLN 60 HG1 GLN 60 19.102 -37.424 -5.425 491 2HG GLN 60 HG2 GLN 60 17.421 -37.263 -5.899 492 1HE2 GLN 60 HE21 GLN 60 18.965 -40.676 -7.471 493 2HE2 GLN 60 HE22 GLN 60 19.815 -39.214 -7.880 494 H VAL 61 HN VAL 61 18.020 -34.456 -9.593 495 HA VAL 61 HA VAL 61 20.475 -33.451 -10.589 496 HB VAL 61 HB VAL 61 17.632 -32.760 -11.399 497 1HG1 VAL 61 HG12 VAL 61 20.190 -32.202 -12.949 498 2HG1 VAL 61 HG13 VAL 61 18.555 -32.005 -13.576 499 3HG1 VAL 61 HG11 VAL 61 19.124 -30.979 -12.272 500 1HG2 VAL 61 HG23 VAL 61 19.663 -34.667 -12.622 501 2HG2 VAL 61 HG21 VAL 61 18.207 -35.128 -11.741 502 3HG2 VAL 61 HG22 VAL 61 18.072 -34.313 -13.292 503 NH1 ARG 62 NH1 ARG 62 13.884 -28.663 -4.169 504 NH2 ARG 62 NH2 ARG 62 13.993 -26.657 -4.968 505 H ARG 62 HN ARG 62 17.894 -31.576 -8.916 506 HA ARG 62 HA ARG 62 19.321 -29.139 -8.870 507 1HB ARG 62 HB1 ARG 62 16.913 -29.366 -8.428 508 2HB ARG 62 HB2 ARG 62 17.260 -30.169 -6.909 509 1HG ARG 62 HG1 ARG 62 18.166 -28.158 -5.945 510 2HG ARG 62 HG2 ARG 62 18.194 -27.348 -7.494 511 1HD ARG 62 HD1 ARG 62 16.397 -26.438 -6.230 512 2HD ARG 62 HD2 ARG 62 15.678 -27.402 -7.506 513 HE ARG 62 HE ARG 62 15.908 -29.087 -5.253 514 1HH1 ARG 62 HH12 ARG 62 14.148 -29.647 -4.162 515 2HH1 ARG 62 HH11 ARG 62 13.134 -28.341 -3.615 516 1HH2 ARG 62 HH22 ARG 62 14.354 -25.972 -5.616 517 2HH2 ARG 62 HH21 ARG 62 13.228 -26.435 -4.389 518 H ALA 63 HN ALA 63 19.393 -31.734 -6.353 519 HA ALA 63 HA ALA 63 21.432 -30.197 -4.911 520 1HB ALA 63 HB2 ALA 63 19.890 -32.696 -4.169 521 2HB ALA 63 HB3 ALA 63 21.010 -31.844 -3.103 522 3HB ALA 63 HB1 ALA 63 19.544 -31.047 -3.663 523 H GLU 64 HN GLU 64 21.554 -33.299 -6.796 524 HA GLU 64 HA GLU 64 24.218 -33.761 -5.551 525 1HB GLU 64 HB1 GLU 64 22.102 -35.808 -6.290 526 2HB GLU 64 HB2 GLU 64 23.741 -36.220 -5.819 527 1HG GLU 64 HG1 GLU 64 23.366 -35.309 -3.559 528 2HG GLU 64 HG2 GLU 64 21.746 -34.795 -4.010 529 H GLN 65 HN GLN 65 22.300 -34.480 -8.507 530 HA GLN 65 HA GLN 65 24.806 -35.389 -9.815 531 1HB GLN 65 HB1 GLN 65 21.897 -36.043 -10.386 532 2HB GLN 65 HB2 GLN 65 23.241 -36.632 -11.343 533 1HG GLN 65 HG1 GLN 65 24.091 -37.960 -9.467 534 2HG GLN 65 HG2 GLN 65 22.928 -37.240 -8.370 535 1HE2 GLN 65 HE21 GLN 65 21.605 -40.141 -10.869 536 2HE2 GLN 65 HE22 GLN 65 23.099 -39.354 -11.271 Start of MODEL 41 Raw file had 536 H/Q atoms 1 1H MET 1 HT1 MET 1 16.549 -47.504 -2.696 2 2H MET 1 HT3 MET 1 16.570 -48.724 -1.502 3 3H MET 1 HT2 MET 1 15.810 -48.998 -2.987 4 HA MET 1 HA MET 1 14.095 -48.648 -1.506 5 1HB MET 1 HB1 MET 1 15.565 -47.821 0.286 6 2HB MET 1 HB2 MET 1 15.660 -46.256 -0.486 7 1HG MET 1 HG1 MET 1 13.189 -45.975 -0.155 8 2HG MET 1 HG2 MET 1 13.131 -47.543 0.626 9 1HE MET 1 HE3 MET 1 14.712 -48.051 2.884 10 2HE MET 1 HE1 MET 1 14.247 -46.932 4.152 11 3HE MET 1 HE2 MET 1 13.000 -47.658 3.153 12 H LEU 2 HN LEU 2 15.159 -45.330 -2.331 13 HA LEU 2 HA LEU 2 12.675 -44.707 -3.614 14 1HB LEU 2 HB1 LEU 2 15.298 -43.177 -3.478 15 2HB LEU 2 HB2 LEU 2 13.803 -42.526 -4.106 16 HG LEU 2 HG LEU 2 14.081 -43.496 -1.244 17 1HD1 LEU 2 HD12 LEU 2 14.369 -40.678 -2.344 18 2HD1 LEU 2 HD13 LEU 2 14.326 -41.112 -0.640 19 3HD1 LEU 2 HD11 LEU 2 15.663 -41.648 -1.648 20 1HD2 LEU 2 HD22 LEU 2 12.041 -41.664 -2.563 21 2HD2 LEU 2 HD23 LEU 2 11.736 -43.320 -2.050 22 3HD2 LEU 2 HD21 LEU 2 12.094 -42.085 -0.856 23 H GLN 3 HN GLN 3 15.935 -45.287 -4.845 24 HA GLN 3 HA GLN 3 15.389 -44.877 -7.598 25 1HB GLN 3 HB1 GLN 3 17.492 -45.997 -8.071 26 2HB GLN 3 HB2 GLN 3 17.647 -44.752 -6.868 27 1HG GLN 3 HG1 GLN 3 17.526 -47.704 -6.121 28 2HG GLN 3 HG2 GLN 3 19.020 -46.898 -6.523 29 1HE2 GLN 3 HE21 GLN 3 19.241 -45.312 -3.367 30 2HE2 GLN 3 HE22 GLN 3 19.921 -45.410 -4.958 31 H LYS 4 HN LYS 4 15.291 -47.798 -5.654 32 HA LYS 4 HA LYS 4 14.379 -49.668 -7.560 33 1HB LYS 4 HB1 LYS 4 15.087 -50.313 -5.298 34 2HB LYS 4 HB2 LYS 4 13.735 -49.436 -4.597 35 1HG LYS 4 HG1 LYS 4 12.148 -51.038 -5.708 36 2HG LYS 4 HG2 LYS 4 13.522 -51.904 -6.373 37 1HD LYS 4 HD1 LYS 4 14.298 -52.431 -4.103 38 2HD LYS 4 HD2 LYS 4 12.986 -51.503 -3.412 39 1HE LYS 4 HE1 LYS 4 12.535 -53.915 -5.182 40 2HE LYS 4 HE2 LYS 4 12.727 -54.038 -3.441 41 1HZ LYS 4 HZ2 LYS 4 10.874 -52.298 -3.352 42 2HZ LYS 4 HZ3 LYS 4 10.464 -52.712 -4.957 43 3HZ LYS 4 HZ1 LYS 4 10.448 -53.877 -3.757 44 H LYS 5 HN LYS 5 12.442 -47.418 -5.505 45 HA LYS 5 HA LYS 5 10.029 -48.206 -6.714 46 1HB LYS 5 HB1 LYS 5 10.785 -46.163 -4.721 47 2HB LYS 5 HB2 LYS 5 9.287 -45.882 -5.582 48 1HG LYS 5 HG1 LYS 5 9.914 -48.448 -4.083 49 2HG LYS 5 HG2 LYS 5 8.987 -47.124 -3.412 50 1HD LYS 5 HD1 LYS 5 7.467 -47.401 -5.522 51 2HD LYS 5 HD2 LYS 5 8.270 -48.941 -5.718 52 1HE LYS 5 HE1 LYS 5 7.504 -49.484 -3.345 53 2HE LYS 5 HE2 LYS 5 6.450 -48.073 -3.493 54 1HZ LYS 5 HZ2 LYS 5 5.693 -49.082 -5.747 55 2HZ LYS 5 HZ3 LYS 5 6.557 -50.496 -5.283 56 3HZ LYS 5 HZ1 LYS 5 5.242 -49.957 -4.345 57 H ILE 6 HN ILE 6 12.031 -45.341 -7.761 58 HA ILE 6 HA ILE 6 10.187 -44.686 -9.837 59 HB ILE 6 HB ILE 6 13.187 -44.426 -10.109 60 1HG1 ILE 6 HG11 ILE 6 12.243 -41.862 -9.979 61 2HG1 ILE 6 HG12 ILE 6 11.120 -42.665 -8.927 62 1HG2 ILE 6 HG21 ILE 6 11.009 -43.162 -11.885 63 2HG2 ILE 6 HG22 ILE 6 12.716 -42.800 -11.955 64 3HG2 ILE 6 HG23 ILE 6 12.151 -44.397 -12.380 65 1HD1 ILE 6 HD11 ILE 6 14.144 -42.721 -8.648 66 2HD1 ILE 6 HD12 ILE 6 13.037 -41.747 -7.684 67 3HD1 ILE 6 HD13 ILE 6 13.010 -43.502 -7.546 68 H GLU 7 HN GLU 7 12.890 -47.046 -9.899 69 HA GLU 7 HA GLU 7 12.434 -48.142 -12.443 70 1HB GLU 7 HB1 GLU 7 14.416 -48.506 -11.015 71 2HB GLU 7 HB2 GLU 7 13.448 -49.448 -9.904 72 1HG GLU 7 HG1 GLU 7 13.084 -51.168 -11.720 73 2HG GLU 7 HG2 GLU 7 14.132 -50.230 -12.773 74 H GLU 8 HN GLU 8 10.992 -49.302 -9.336 75 HA GLU 8 HA GLU 8 9.374 -51.309 -10.513 76 1HB GLU 8 HB1 GLU 8 10.155 -50.879 -8.090 77 2HB GLU 8 HB2 GLU 8 8.810 -49.770 -7.968 78 1HG GLU 8 HG1 GLU 8 7.220 -51.655 -8.352 79 2HG GLU 8 HG2 GLU 8 8.581 -52.763 -8.501 80 H GLU 9 HN GLU 9 8.406 -47.905 -9.677 81 HA GLU 9 HA GLU 9 5.724 -48.300 -10.787 82 1HB GLU 9 HB1 GLU 9 7.078 -45.721 -9.997 83 2HB GLU 9 HB2 GLU 9 5.376 -45.965 -10.323 84 1HG GLU 9 HG1 GLU 9 6.939 -47.023 -7.940 85 2HG GLU 9 HG2 GLU 9 5.746 -45.754 -7.917 86 H ALA 10 HN ALA 10 8.690 -46.739 -12.154 87 HA ALA 10 HA ALA 10 7.249 -47.038 -14.702 88 1HB ALA 10 HB2 ALA 10 9.852 -45.580 -13.897 89 2HB ALA 10 HB3 ALA 10 9.195 -45.511 -15.524 90 3HB ALA 10 HB1 ALA 10 8.300 -44.807 -14.185 91 H ALA 11 HN ALA 11 8.683 -49.541 -13.573 92 HA ALA 11 HA ALA 11 10.564 -50.483 -15.190 93 1HB ALA 11 HB3 ALA 11 8.122 -51.917 -14.117 94 2HB ALA 11 HB1 ALA 11 9.588 -52.723 -14.674 95 3HB ALA 11 HB2 ALA 11 9.646 -51.632 -13.285 96 H LYS 12 HN LYS 12 8.535 -49.154 -17.045 97 HA LYS 12 HA LYS 12 7.386 -49.382 -19.055 98 1HB LYS 12 HB1 LYS 12 9.898 -49.670 -19.571 99 2HB LYS 12 HB2 LYS 12 9.552 -51.371 -19.712 100 1HG LYS 12 HG1 LYS 12 7.635 -50.371 -21.406 101 2HG LYS 12 HG2 LYS 12 8.853 -49.123 -21.556 102 1HD LYS 12 HD1 LYS 12 9.618 -50.487 -23.205 103 2HD LYS 12 HD2 LYS 12 10.453 -51.269 -21.886 104 1HE LYS 12 HE1 LYS 12 7.805 -52.156 -23.074 105 2HE LYS 12 HE2 LYS 12 9.368 -52.873 -23.426 106 1HZ LYS 12 HZ3 LYS 12 9.565 -53.393 -21.032 107 2HZ LYS 12 HZ1 LYS 12 7.985 -52.830 -20.738 108 3HZ LYS 12 HZ2 LYS 12 8.245 -54.170 -21.749 109 OH TYR 13 OH TYR 13 3.450 -49.034 -12.234 110 H TYR 13 HN TYR 13 5.656 -50.524 -17.612 111 HA TYR 13 HA TYR 13 5.580 -53.397 -18.062 112 1HB TYR 13 HB1 TYR 13 5.299 -53.707 -15.703 113 2HB TYR 13 HB2 TYR 13 6.701 -52.723 -15.955 114 HD1 TYR 13 HD1 TYR 13 3.925 -53.138 -13.983 115 HD2 TYR 13 HD2 TYR 13 6.229 -49.841 -15.574 116 HE1 TYR 13 HE1 TYR 13 2.951 -51.593 -12.354 117 HE2 TYR 13 HE2 TYR 13 5.094 -48.413 -14.097 118 HH TYR 13 HH TYR 13 3.836 -48.167 -12.442 119 H LYS 14 HN LYS 14 3.196 -53.067 -16.119 120 HA LYS 14 HA LYS 14 1.196 -53.119 -18.218 121 1HB LYS 14 HB1 LYS 14 1.171 -54.813 -16.446 122 2HB LYS 14 HB2 LYS 14 0.955 -53.578 -15.226 123 1HG LYS 14 HG1 LYS 14 -1.151 -54.653 -15.575 124 2HG LYS 14 HG2 LYS 14 -1.285 -53.035 -16.195 125 1HD LYS 14 HD1 LYS 14 -0.515 -54.644 -18.430 126 2HD LYS 14 HD2 LYS 14 -1.675 -55.590 -17.535 127 1HE LYS 14 HE1 LYS 14 -3.012 -54.400 -19.027 128 2HE LYS 14 HE2 LYS 14 -3.166 -53.485 -17.534 129 1HZ LYS 14 HZ1 LYS 14 -1.298 -51.993 -18.369 130 2HZ LYS 14 HZ2 LYS 14 -1.347 -52.883 -19.799 131 3HZ LYS 14 HZ3 LYS 14 -2.694 -51.975 -19.343 132 OH TYR 15 OH TYR 15 -3.609 -53.041 -12.821 133 H TYR 15 HN TYR 15 2.027 -50.908 -15.606 134 HA TYR 15 HA TYR 15 -0.290 -49.220 -16.290 135 1HB TYR 15 HB1 TYR 15 1.271 -49.444 -13.714 136 2HB TYR 15 HB2 TYR 15 0.029 -48.259 -13.996 137 HD1 TYR 15 HD1 TYR 15 -2.271 -49.328 -14.989 138 HD2 TYR 15 HD2 TYR 15 0.580 -51.461 -12.677 139 HE1 TYR 15 HE1 TYR 15 -3.999 -50.954 -14.354 140 HE2 TYR 15 HE2 TYR 15 -1.160 -53.100 -12.064 141 HH TYR 15 HH TYR 15 -4.450 -52.814 -13.220 142 H ALA 16 HN ALA 16 0.913 -48.683 -18.084 143 HA ALA 16 HA ALA 16 3.204 -47.060 -18.233 144 1HB ALA 16 HB1 ALA 16 2.313 -48.311 -20.124 145 2HB ALA 16 HB2 ALA 16 0.855 -47.322 -20.139 146 3HB ALA 16 HB3 ALA 16 2.413 -46.605 -20.538 147 H MET 17 HN MET 17 -0.186 -46.043 -17.980 148 HA MET 17 HA MET 17 0.252 -43.249 -18.174 149 1HB MET 17 HB1 MET 17 -2.027 -44.774 -16.884 150 2HB MET 17 HB2 MET 17 -2.002 -43.042 -17.105 151 1HG MET 17 HG1 MET 17 -3.289 -43.763 -18.903 152 2HG MET 17 HG2 MET 17 -1.719 -43.518 -19.623 153 1HE MET 17 HE3 MET 17 -4.056 -46.277 -18.010 154 2HE MET 17 HE1 MET 17 -4.701 -45.780 -19.590 155 3HE MET 17 HE2 MET 17 -4.073 -47.403 -19.354 156 H LEU 18 HN LEU 18 0.381 -45.417 -15.363 157 HA LEU 18 HA LEU 18 0.704 -43.340 -13.437 158 1HB LEU 18 HB1 LEU 18 1.091 -46.346 -13.397 159 2HB LEU 18 HB2 LEU 18 1.240 -45.337 -11.986 160 HG LEU 18 HG LEU 18 -0.826 -46.484 -12.001 161 1HD1 LEU 18 HD12 LEU 18 -0.779 -44.299 -10.942 162 2HD1 LEU 18 HD13 LEU 18 -1.209 -43.508 -12.453 163 3HD1 LEU 18 HD11 LEU 18 -2.379 -44.544 -11.633 164 1HD2 LEU 18 HD23 LEU 18 -1.487 -46.803 -14.306 165 2HD2 LEU 18 HD21 LEU 18 -2.768 -46.042 -13.383 166 3HD2 LEU 18 HD22 LEU 18 -1.791 -45.076 -14.470 167 H LYS 19 HN LYS 19 3.127 -45.714 -14.767 168 HA LYS 19 HA LYS 19 5.372 -44.290 -14.203 169 1HB LYS 19 HB1 LYS 19 5.478 -46.311 -15.576 170 2HB LYS 19 HB2 LYS 19 4.360 -45.677 -16.752 171 1HG LYS 19 HG1 LYS 19 6.002 -44.320 -17.808 172 2HG LYS 19 HG2 LYS 19 7.142 -44.535 -16.498 173 1HD LYS 19 HD1 LYS 19 7.145 -47.036 -17.155 174 2HD LYS 19 HD2 LYS 19 6.269 -46.547 -18.595 175 1HE LYS 19 HE1 LYS 19 8.076 -45.527 -19.549 176 2HE LYS 19 HE2 LYS 19 8.703 -44.946 -18.011 177 1HZ LYS 19 HZ1 LYS 19 9.362 -47.252 -17.446 178 2HZ LYS 19 HZ2 LYS 19 8.860 -47.718 -19.021 179 3HZ LYS 19 HZ3 LYS 19 10.150 -46.655 -18.833 180 H LYS 20 HN LYS 20 3.248 -43.277 -17.023 181 HA LYS 20 HA LYS 20 4.661 -40.901 -17.542 182 1HB LYS 20 HB1 LYS 20 2.871 -41.953 -18.952 183 2HB LYS 20 HB2 LYS 20 1.675 -41.350 -17.833 184 1HG LYS 20 HG1 LYS 20 3.498 -39.300 -18.990 185 2HG LYS 20 HG2 LYS 20 2.409 -40.072 -20.122 186 1HD LYS 20 HD1 LYS 20 0.472 -39.417 -18.721 187 2HD LYS 20 HD2 LYS 20 1.548 -38.643 -17.578 188 1HE LYS 20 HE1 LYS 20 1.363 -37.816 -20.484 189 2HE LYS 20 HE2 LYS 20 0.380 -37.110 -19.206 190 1HZ LYS 20 HZ1 LYS 20 3.346 -37.198 -19.176 191 2HZ LYS 20 HZ2 LYS 20 2.434 -35.835 -19.589 192 3HZ LYS 20 HZ3 LYS 20 2.401 -36.427 -17.990 193 H CYS 21 HN CYS 21 2.081 -41.391 -14.985 194 HA CYS 21 HA CYS 21 2.193 -38.816 -13.925 195 1HB CYS 21 HB1 CYS 21 0.625 -40.678 -13.375 196 2HB CYS 21 HB2 CYS 21 1.878 -41.366 -12.355 197 H CYS 22 HN CYS 22 4.421 -41.538 -13.003 198 HA CYS 22 HA CYS 22 6.480 -40.125 -11.631 199 1HB CYS 22 HB1 CYS 22 6.384 -42.593 -12.493 200 2HB CYS 22 HB2 CYS 22 7.367 -41.915 -13.727 201 OH TYR 23 OH TYR 23 10.884 -43.563 -17.139 202 H TYR 23 HN TYR 23 6.096 -40.174 -15.082 203 HA TYR 23 HA TYR 23 8.183 -38.241 -15.297 204 1HB TYR 23 HB1 TYR 23 6.347 -39.379 -17.336 205 2HB TYR 23 HB2 TYR 23 7.789 -38.434 -17.663 206 HD1 TYR 23 HD1 TYR 23 8.634 -40.626 -14.660 207 HD2 TYR 23 HD2 TYR 23 7.778 -40.807 -18.877 208 HE1 TYR 23 HE1 TYR 23 10.314 -42.309 -14.975 209 HE2 TYR 23 HE2 TYR 23 9.469 -42.589 -19.110 210 HH TYR 23 HH TYR 23 10.949 -43.847 -18.050 211 H ASP 24 HN ASP 24 4.681 -37.717 -15.237 212 HA ASP 24 HA ASP 24 4.719 -34.893 -15.357 213 1HB ASP 24 HB1 ASP 24 3.005 -36.520 -13.431 214 2HB ASP 24 HB2 ASP 24 2.759 -34.864 -13.919 215 H GLY 25 HN GLY 25 5.528 -36.922 -12.508 216 1HA GLY 25 HA1 GLY 25 6.390 -34.735 -10.874 217 2HA GLY 25 HA2 GLY 25 6.859 -36.401 -10.663 218 H ALA 26 HN ALA 26 8.305 -36.825 -13.009 219 HA ALA 26 HA ALA 26 10.824 -35.660 -12.491 220 1HB ALA 26 HB3 ALA 26 10.599 -37.829 -13.602 221 2HB ALA 26 HB1 ALA 26 9.918 -37.046 -15.027 222 3HB ALA 26 HB2 ALA 26 11.584 -36.738 -14.565 223 OH TYR 27 OH TYR 27 10.763 -35.532 -21.164 224 H TYR 27 HN TYR 27 8.525 -34.694 -15.133 225 HA TYR 27 HA TYR 27 10.230 -32.544 -15.971 226 1HB TYR 27 HB1 TYR 27 7.371 -33.263 -16.585 227 2HB TYR 27 HB2 TYR 27 8.063 -31.761 -17.160 228 HD1 TYR 27 HD1 TYR 27 8.097 -35.404 -17.530 229 HD2 TYR 27 HD2 TYR 27 9.988 -31.814 -18.782 230 HE1 TYR 27 HE1 TYR 27 9.158 -36.610 -19.397 231 HE2 TYR 27 HE2 TYR 27 11.050 -33.034 -20.644 232 HH TYR 27 HH TYR 27 10.510 -36.455 -21.156 233 NH1 ARG 28 NH1 ARG 28 10.973 -28.634 -5.880 234 NH2 ARG 28 NH2 ARG 28 12.064 -30.472 -6.407 235 H ARG 28 HN ARG 28 10.534 -32.028 -13.596 236 HA ARG 28 HA ARG 28 8.691 -29.939 -12.612 237 1HB ARG 28 HB1 ARG 28 9.511 -31.824 -11.165 238 2HB ARG 28 HB2 ARG 28 11.146 -31.233 -11.385 239 1HG ARG 28 HG1 ARG 28 10.334 -29.016 -10.316 240 2HG ARG 28 HG2 ARG 28 8.872 -29.910 -9.899 241 1HD ARG 28 HD1 ARG 28 10.144 -31.480 -8.579 242 2HD ARG 28 HD2 ARG 28 11.657 -30.732 -9.118 243 HE ARG 28 HE ARG 28 9.906 -28.786 -7.848 244 1HH1 ARG 28 HH12 ARG 28 10.284 -27.963 -6.171 245 2HH1 ARG 28 HH11 ARG 28 11.450 -28.589 -5.017 246 1HH2 ARG 28 HH22 ARG 28 12.194 -31.191 -7.066 247 2HH2 ARG 28 HH21 ARG 28 12.585 -30.461 -5.548 248 H ASN 29 HN ASN 29 9.196 -27.759 -12.788 249 HA ASN 29 HA ASN 29 11.927 -27.020 -13.704 250 1HB ASN 29 HB1 ASN 29 9.249 -25.818 -14.525 251 2HB ASN 29 HB2 ASN 29 10.819 -25.160 -14.970 252 1HD2 ASN 29 HD21 ASN 29 9.377 -28.293 -17.002 253 2HD2 ASN 29 HD22 ASN 29 8.885 -28.214 -15.340 254 H ASP 30 HN ASP 30 10.052 -24.216 -13.074 255 HA ASP 30 HA ASP 30 11.303 -23.635 -10.574 256 1HB ASP 30 HB1 ASP 30 9.080 -22.190 -12.083 257 2HB ASP 30 HB2 ASP 30 10.049 -21.516 -10.782 258 H ASP 31 HN ASP 31 9.651 -26.001 -10.273 259 HA ASP 31 HA ASP 31 7.168 -25.146 -8.935 260 1HB ASP 31 HB1 ASP 31 8.074 -27.957 -9.605 261 2HB ASP 31 HB2 ASP 31 6.470 -27.472 -9.103 262 H GLU 32 HN GLU 32 7.688 -24.482 -6.963 263 HA GLU 32 HA GLU 32 9.671 -25.465 -5.244 264 1HB GLU 32 HB1 GLU 32 7.198 -23.846 -4.567 265 2HB GLU 32 HB2 GLU 32 8.572 -24.067 -3.509 266 1HG GLU 32 HG1 GLU 32 8.682 -22.650 -6.218 267 2HG GLU 32 HG2 GLU 32 8.633 -21.860 -4.655 268 H THR 33 HN THR 33 6.173 -26.332 -5.140 269 HA THR 33 HA THR 33 6.880 -28.386 -3.125 270 HB THR 33 HB THR 33 4.297 -26.791 -3.171 271 HG1 THR 33 HG1 THR 33 6.588 -26.627 -1.482 272 1HG2 THR 33 HG23 THR 33 5.460 -28.608 -1.029 273 2HG2 THR 33 HG21 THR 33 3.991 -27.652 -0.906 274 3HG2 THR 33 HG22 THR 33 4.064 -29.011 -2.026 275 H CYS 34 HN CYS 34 6.757 -30.312 -4.113 276 HA CYS 34 HA CYS 34 5.379 -30.910 -6.476 277 1HB CYS 34 HB1 CYS 34 6.647 -32.670 -4.381 278 2HB CYS 34 HB2 CYS 34 5.874 -33.341 -5.800 279 H GLU 35 HN GLU 35 4.395 -31.681 -3.134 280 HA GLU 35 HA GLU 35 2.045 -33.078 -4.047 281 1HB GLU 35 HB1 GLU 35 1.309 -33.183 -1.676 282 2HB GLU 35 HB2 GLU 35 2.755 -34.038 -2.121 283 1HG GLU 35 HG1 GLU 35 2.851 -31.341 -0.697 284 2HG GLU 35 HG2 GLU 35 2.763 -32.865 0.164 285 H GLU 36 HN GLU 36 2.502 -29.702 -3.778 286 HA GLU 36 HA GLU 36 -0.344 -29.118 -3.551 287 1HB GLU 36 HB1 GLU 36 1.548 -27.485 -3.013 288 2HB GLU 36 HB2 GLU 36 1.820 -27.330 -4.735 289 1HG GLU 36 HG1 GLU 36 -0.867 -26.794 -4.691 290 2HG GLU 36 HG2 GLU 36 -0.484 -26.358 -3.039 291 NH1 ARG 37 NH1 ARG 37 5.686 -31.340 -13.278 292 NH2 ARG 37 NH2 ARG 37 5.614 -29.227 -12.886 293 H ARG 37 HN ARG 37 2.012 -29.068 -6.192 294 HA ARG 37 HA ARG 37 0.320 -29.064 -8.427 295 1HB ARG 37 HB1 ARG 37 2.681 -28.608 -8.546 296 2HB ARG 37 HB2 ARG 37 3.078 -30.203 -7.946 297 1HG ARG 37 HG1 ARG 37 2.456 -31.250 -10.007 298 2HG ARG 37 HG2 ARG 37 1.703 -29.788 -10.622 299 1HD ARG 37 HD1 ARG 37 3.745 -28.723 -10.984 300 2HD ARG 37 HD2 ARG 37 4.620 -29.762 -9.868 301 HE ARG 37 HE ARG 37 3.746 -31.456 -11.926 302 1HH1 ARG 37 HH12 ARG 37 5.417 -32.314 -13.147 303 2HH1 ARG 37 HH11 ARG 37 6.407 -31.111 -13.949 304 1HH2 ARG 37 HH22 ARG 37 5.250 -28.426 -12.413 305 2HH2 ARG 37 HH21 ARG 37 6.311 -29.149 -13.583 306 H ALA 38 HN ALA 38 1.627 -32.000 -6.721 307 HA ALA 38 HA ALA 38 -0.443 -33.559 -8.009 308 1HB ALA 38 HB3 ALA 38 1.916 -34.408 -6.420 309 2HB ALA 38 HB1 ALA 38 0.667 -35.502 -7.041 310 3HB ALA 38 HB2 ALA 38 1.570 -34.487 -8.165 311 H ALA 39 HN ALA 39 -0.849 -31.812 -5.022 312 HA ALA 39 HA ALA 39 -3.209 -33.304 -4.583 313 1HB ALA 39 HB1 ALA 39 -2.514 -31.470 -3.114 314 2HB ALA 39 HB2 ALA 39 -2.768 -30.304 -4.410 315 3HB ALA 39 HB3 ALA 39 -4.142 -31.178 -3.727 316 NH1 ARG 40 NH1 ARG 40 -2.231 -24.607 -7.319 317 NH2 ARG 40 NH2 ARG 40 -1.052 -26.387 -7.572 318 H ARG 40 HN ARG 40 -2.528 -30.770 -7.022 319 HA ARG 40 HA ARG 40 -5.052 -30.999 -8.355 320 1HB ARG 40 HB1 ARG 40 -2.398 -30.119 -9.504 321 2HB ARG 40 HB2 ARG 40 -3.963 -29.885 -10.267 322 1HG ARG 40 HG1 ARG 40 -4.660 -28.422 -8.371 323 2HG ARG 40 HG2 ARG 40 -3.088 -28.646 -7.624 324 1HD ARG 40 HD1 ARG 40 -2.041 -27.669 -9.721 325 2HD ARG 40 HD2 ARG 40 -3.659 -27.326 -10.290 326 HE ARG 40 HE ARG 40 -3.897 -25.673 -8.566 327 1HH1 ARG 40 HH12 ARG 40 -3.031 -24.051 -7.480 328 2HH1 ARG 40 HH11 ARG 40 -1.471 -24.321 -6.735 329 1HH2 ARG 40 HH22 ARG 40 -0.939 -27.306 -7.913 330 2HH2 ARG 40 HH21 ARG 40 -0.385 -25.908 -6.990 331 H ILE 41 HN ILE 41 -1.943 -32.572 -9.391 332 HA ILE 41 HA ILE 41 -3.251 -34.588 -10.846 333 HB ILE 41 HB ILE 41 -0.413 -34.783 -9.793 334 1HG1 ILE 41 HG11 ILE 41 -0.377 -34.497 -12.556 335 2HG1 ILE 41 HG12 ILE 41 -1.692 -33.397 -12.090 336 1HG2 ILE 41 HG23 ILE 41 -1.866 -36.414 -11.748 337 2HG2 ILE 41 HG21 ILE 41 -0.075 -36.298 -11.402 338 3HG2 ILE 41 HG22 ILE 41 -1.239 -36.937 -10.182 339 1HD1 ILE 41 HD11 ILE 41 0.905 -33.512 -10.695 340 2HD1 ILE 41 HD12 ILE 41 0.655 -32.415 -12.094 341 3HD1 ILE 41 HD13 ILE 41 -0.265 -32.225 -10.590 342 H LYS 42 HN LYS 42 -4.689 -35.139 -9.860 343 HA LYS 42 HA LYS 42 -4.806 -36.495 -7.220 344 1HB LYS 42 HB1 LYS 42 -7.205 -36.007 -7.199 345 2HB LYS 42 HB2 LYS 42 -6.216 -34.572 -7.384 346 1HG LYS 42 HG1 LYS 42 -6.737 -34.532 -9.821 347 2HG LYS 42 HG2 LYS 42 -7.759 -35.955 -9.621 348 1HD LYS 42 HD1 LYS 42 -9.214 -34.693 -8.081 349 2HD LYS 42 HD2 LYS 42 -8.170 -33.285 -8.237 350 1HE LYS 42 HE1 LYS 42 -8.658 -33.196 -10.664 351 2HE LYS 42 HE2 LYS 42 -9.723 -34.593 -10.495 352 1HZ LYS 42 HZ1 LYS 42 -11.025 -33.354 -8.882 353 2HZ LYS 42 HZ2 LYS 42 -10.002 -32.019 -9.048 354 3HZ LYS 42 HZ3 LYS 42 -10.969 -32.508 -10.351 355 H ILE 43 HN ILE 43 -4.222 -37.870 -9.964 356 HA ILE 43 HA ILE 43 -6.566 -39.299 -10.726 357 HB ILE 43 HB ILE 43 -3.692 -39.645 -11.589 358 1HG1 ILE 43 HG11 ILE 43 -5.950 -38.322 -13.112 359 2HG1 ILE 43 HG12 ILE 43 -4.916 -37.411 -12.042 360 1HG2 ILE 43 HG23 ILE 43 -6.194 -40.785 -12.888 361 2HG2 ILE 43 HG21 ILE 43 -4.577 -40.851 -13.578 362 3HG2 ILE 43 HG22 ILE 43 -4.930 -41.724 -12.107 363 1HD1 ILE 43 HD13 ILE 43 -2.933 -38.049 -13.409 364 2HD1 ILE 43 HD11 ILE 43 -3.986 -38.913 -14.521 365 3HD1 ILE 43 HD12 ILE 43 -4.140 -37.174 -14.343 366 H GLY 44 HN GLY 44 -3.764 -40.433 -8.770 367 1HA GLY 44 HA1 GLY 44 -5.468 -42.267 -7.434 368 2HA GLY 44 HA2 GLY 44 -4.513 -43.144 -8.601 369 HA PRO 45 HA PRO 45 -2.234 -42.806 -4.305 370 1HB PRO 45 HB1 PRO 45 -2.723 -45.785 -4.636 371 2HB PRO 45 HB2 PRO 45 -2.532 -44.828 -3.155 372 1HG PRO 45 HG1 PRO 45 -4.977 -45.435 -3.917 373 2HG PRO 45 HG2 PRO 45 -4.649 -43.751 -3.457 374 1HD PRO 45 HD1 PRO 45 -4.789 -44.957 -6.241 375 2HD PRO 45 HD2 PRO 45 -5.550 -43.479 -5.611 376 H LYS 46 HN LYS 46 -1.812 -45.421 -6.708 377 HA LYS 46 HA LYS 46 0.992 -45.558 -6.685 378 1HB LYS 46 HB1 LYS 46 -1.168 -46.510 -8.477 379 2HB LYS 46 HB2 LYS 46 0.355 -46.222 -9.284 380 1HG LYS 46 HG1 LYS 46 1.514 -47.711 -7.708 381 2HG LYS 46 HG2 LYS 46 0.013 -47.994 -6.845 382 1HD LYS 46 HD1 LYS 46 0.432 -49.880 -8.276 383 2HD LYS 46 HD2 LYS 46 -0.945 -49.017 -8.908 384 1HE LYS 46 HE1 LYS 46 0.310 -49.675 -10.780 385 2HE LYS 46 HE2 LYS 46 0.621 -47.963 -10.622 386 1HZ LYS 46 HZ1 LYS 46 2.767 -48.499 -9.443 387 2HZ LYS 46 HZ2 LYS 46 2.397 -50.134 -9.660 388 3HZ LYS 46 HZ3 LYS 46 2.722 -49.161 -11.045 389 H CYS 47 HN CYS 47 -1.087 -43.297 -8.358 390 HA CYS 47 HA CYS 47 0.874 -42.146 -10.105 391 1HB CYS 47 HB1 CYS 47 -1.675 -42.048 -10.320 392 2HB CYS 47 HB2 CYS 47 -1.658 -40.889 -9.032 393 H VAL 48 HN VAL 48 -0.636 -40.510 -7.174 394 HA VAL 48 HA VAL 48 1.305 -38.837 -6.731 395 HB VAL 48 HB VAL 48 0.649 -39.830 -4.046 396 1HG1 VAL 48 HG11 VAL 48 1.197 -37.408 -4.762 397 2HG1 VAL 48 HG12 VAL 48 -0.276 -37.477 -5.743 398 3HG1 VAL 48 HG13 VAL 48 -0.382 -37.499 -3.977 399 1HG2 VAL 48 HG21 VAL 48 -1.174 -40.896 -4.936 400 2HG2 VAL 48 HG22 VAL 48 -1.669 -39.513 -3.953 401 3HG2 VAL 48 HG23 VAL 48 -1.757 -39.425 -5.714 402 H LYS 49 HN LYS 49 1.589 -42.212 -5.543 403 HA LYS 49 HA LYS 49 4.158 -41.925 -4.405 404 1HB LYS 49 HB1 LYS 49 2.639 -43.885 -4.074 405 2HB LYS 49 HB2 LYS 49 3.070 -44.447 -5.670 406 1HG LYS 49 HG1 LYS 49 4.358 -45.687 -4.031 407 2HG LYS 49 HG2 LYS 49 5.456 -44.662 -4.932 408 1HD LYS 49 HD1 LYS 49 5.560 -43.061 -3.075 409 2HD LYS 49 HD2 LYS 49 4.338 -43.955 -2.195 410 1HE LYS 49 HE1 LYS 49 6.478 -44.412 -1.223 411 2HE LYS 49 HE2 LYS 49 5.930 -45.872 -2.036 412 1HZ LYS 49 HZ3 LYS 49 7.840 -43.873 -3.257 413 2HZ LYS 49 HZ1 LYS 49 8.262 -45.357 -2.560 414 3HZ LYS 49 HZ2 LYS 49 7.302 -45.269 -3.951 415 H ALA 50 HN ALA 50 3.540 -43.157 -7.786 416 HA ALA 50 HA ALA 50 6.187 -43.181 -8.783 417 1HB ALA 50 HB1 ALA 50 4.163 -44.037 -9.940 418 2HB ALA 50 HB2 ALA 50 3.634 -42.399 -10.236 419 3HB ALA 50 HB3 ALA 50 5.086 -43.026 -11.014 420 H PHE 51 HN PHE 51 3.867 -40.444 -8.726 421 HA PHE 51 HA PHE 51 5.436 -38.373 -9.743 422 1HB PHE 51 HB1 PHE 51 2.910 -38.541 -9.029 423 2HB PHE 51 HB2 PHE 51 3.460 -38.008 -7.464 424 HD1 PHE 51 HD1 PHE 51 2.174 -36.862 -10.549 425 HD2 PHE 51 HD2 PHE 51 4.887 -35.715 -7.467 426 HE1 PHE 51 HE1 PHE 51 2.277 -34.761 -11.503 427 HE2 PHE 51 HE2 PHE 51 4.990 -33.466 -8.447 428 HZ PHE 51 HZ PHE 51 3.766 -32.973 -10.515 429 H LYS 52 HN LYS 52 5.011 -39.137 -6.219 430 HA LYS 52 HA LYS 52 6.835 -37.197 -5.337 431 1HB LYS 52 HB1 LYS 52 5.032 -38.265 -3.986 432 2HB LYS 52 HB2 LYS 52 5.942 -39.749 -3.953 433 1HG LYS 52 HG1 LYS 52 6.233 -38.738 -1.833 434 2HG LYS 52 HG2 LYS 52 7.753 -38.534 -2.672 435 1HD LYS 52 HD1 LYS 52 7.201 -36.173 -3.149 436 2HD LYS 52 HD2 LYS 52 5.639 -36.367 -2.362 437 1HE LYS 52 HE1 LYS 52 6.746 -36.874 -0.231 438 2HE LYS 52 HE2 LYS 52 8.324 -36.778 -1.007 439 1HZ LYS 52 HZ1 LYS 52 7.756 -34.468 -1.637 440 2HZ LYS 52 HZ2 LYS 52 6.350 -34.496 -0.672 441 3HZ LYS 52 HZ3 LYS 52 7.878 -34.693 0.029 442 H ASP 53 HN ASP 53 7.417 -40.639 -6.145 443 HA ASP 53 HA ASP 53 10.149 -40.737 -5.309 444 1HB ASP 53 HB1 ASP 53 8.755 -42.342 -7.483 445 2HB ASP 53 HB2 ASP 53 10.302 -42.734 -6.763 446 H CYS 54 HN CYS 54 8.807 -40.197 -8.600 447 HA CYS 54 HA CYS 54 11.217 -39.309 -9.726 448 1HB CYS 54 HB1 CYS 54 8.363 -39.120 -10.484 449 2HB CYS 54 HB2 CYS 54 9.515 -38.138 -11.344 450 H CYS 55 HN CYS 55 8.794 -37.242 -7.997 451 HA CYS 55 HA CYS 55 10.184 -34.827 -8.168 452 1HB CYS 55 HB1 CYS 55 7.998 -35.081 -7.084 453 2HB CYS 55 HB2 CYS 55 8.740 -35.968 -5.773 454 OH TYR 56 OH TYR 56 11.078 -37.672 0.811 455 H TYR 56 HN TYR 56 10.863 -37.468 -5.785 456 HA TYR 56 HA TYR 56 13.180 -36.340 -4.698 457 1HB TYR 56 HB1 TYR 56 12.293 -39.186 -5.000 458 2HB TYR 56 HB2 TYR 56 13.917 -38.859 -4.438 459 HD1 TYR 56 HD1 TYR 56 14.179 -37.257 -2.399 460 HD2 TYR 56 HD2 TYR 56 10.468 -39.049 -3.428 461 HE1 TYR 56 HE1 TYR 56 13.374 -36.949 -0.088 462 HE2 TYR 56 HE2 TYR 56 9.709 -38.800 -1.112 463 HH TYR 56 HH TYR 56 10.198 -38.037 0.915 464 H ILE 57 HN ILE 57 13.172 -38.462 -7.727 465 HA ILE 57 HA ILE 57 15.933 -37.749 -7.974 466 HB ILE 57 HB ILE 57 16.030 -38.587 -10.271 467 1HG1 ILE 57 HG11 ILE 57 14.485 -40.427 -10.850 468 2HG1 ILE 57 HG12 ILE 57 13.374 -39.826 -9.639 469 1HG2 ILE 57 HG21 ILE 57 15.411 -40.415 -7.950 470 2HG2 ILE 57 HG22 ILE 57 16.224 -40.913 -9.432 471 3HG2 ILE 57 HG23 ILE 57 16.973 -39.726 -8.376 472 1HD1 ILE 57 HD11 ILE 57 14.301 -38.246 -12.067 473 2HD1 ILE 57 HD12 ILE 57 12.760 -39.096 -11.923 474 3HD1 ILE 57 HD13 ILE 57 13.109 -37.748 -10.850 475 H ALA 58 HN ALA 58 13.139 -36.018 -9.270 476 HA ALA 58 HA ALA 58 14.490 -34.055 -10.753 477 1HB ALA 58 HB2 ALA 58 12.087 -34.234 -10.632 478 2HB ALA 58 HB3 ALA 58 12.110 -33.749 -8.939 479 3HB ALA 58 HB1 ALA 58 12.622 -32.617 -10.190 480 H ASN 59 HN ASN 59 13.989 -34.123 -7.193 481 HA ASN 59 HA ASN 59 15.644 -31.903 -6.546 482 1HB ASN 59 HB1 ASN 59 14.915 -34.341 -4.898 483 2HB ASN 59 HB2 ASN 59 15.846 -32.990 -4.271 484 1HD2 ASN 59 HD21 ASN 59 12.072 -32.958 -3.910 485 2HD2 ASN 59 HD22 ASN 59 12.467 -33.794 -5.386 486 H GLN 60 HN GLN 60 16.551 -35.361 -6.786 487 HA GLN 60 HA GLN 60 19.290 -35.070 -6.211 488 1HB GLN 60 HB1 GLN 60 17.752 -37.181 -6.545 489 2HB GLN 60 HB2 GLN 60 18.271 -37.085 -8.213 490 1HG GLN 60 HG1 GLN 60 19.743 -38.646 -7.207 491 2HG GLN 60 HG2 GLN 60 20.696 -37.172 -7.285 492 1HE2 GLN 60 HE21 GLN 60 21.140 -37.181 -3.797 493 2HE2 GLN 60 HE22 GLN 60 21.721 -36.623 -5.353 494 H VAL 61 HN VAL 61 17.709 -34.857 -9.443 495 HA VAL 61 HA VAL 61 19.994 -34.079 -10.903 496 HB VAL 61 HB VAL 61 17.074 -33.427 -11.350 497 1HG1 VAL 61 HG11 VAL 61 19.347 -33.055 -13.339 498 2HG1 VAL 61 HG12 VAL 61 17.631 -32.927 -13.711 499 3HG1 VAL 61 HG13 VAL 61 18.383 -31.759 -12.642 500 1HG2 VAL 61 HG22 VAL 61 18.916 -35.471 -12.649 501 2HG2 VAL 61 HG23 VAL 61 17.616 -35.816 -11.510 502 3HG2 VAL 61 HG21 VAL 61 17.240 -35.181 -13.103 503 NH1 ARG 62 NH1 ARG 62 13.163 -28.399 -11.148 504 NH2 ARG 62 NH2 ARG 62 14.193 -30.258 -10.679 505 H ARG 62 HN ARG 62 17.708 -31.871 -9.159 506 HA ARG 62 HA ARG 62 19.183 -29.515 -9.581 507 1HB ARG 62 HB1 ARG 62 17.333 -30.372 -7.366 508 2HB ARG 62 HB2 ARG 62 18.100 -28.793 -7.349 509 1HG ARG 62 HG1 ARG 62 16.999 -28.056 -9.281 510 2HG ARG 62 HG2 ARG 62 16.643 -29.677 -9.829 511 1HD ARG 62 HD1 ARG 62 14.994 -29.919 -7.969 512 2HD ARG 62 HD2 ARG 62 15.363 -28.281 -7.457 513 HE ARG 62 HE ARG 62 13.996 -27.525 -9.222 514 1HH1 ARG 62 HH12 ARG 62 12.876 -27.457 -10.956 515 2HH1 ARG 62 HH11 ARG 62 12.819 -28.854 -11.983 516 1HH2 ARG 62 HH22 ARG 62 14.781 -30.798 -10.075 517 2HH2 ARG 62 HH21 ARG 62 13.808 -30.620 -11.514 518 H ALA 63 HN ALA 63 19.711 -31.900 -6.946 519 HA ALA 63 HA ALA 63 21.990 -30.546 -5.890 520 1HB ALA 63 HB1 ALA 63 20.762 -32.221 -4.604 521 2HB ALA 63 HB2 ALA 63 21.216 -33.478 -5.752 522 3HB ALA 63 HB3 ALA 63 22.448 -32.707 -4.760 523 H GLU 64 HN GLU 64 21.979 -33.431 -8.114 524 HA GLU 64 HA GLU 64 24.852 -33.125 -8.471 525 1HB GLU 64 HB1 GLU 64 22.841 -35.198 -9.229 526 2HB GLU 64 HB2 GLU 64 24.351 -35.148 -10.106 527 1HG GLU 64 HG1 GLU 64 24.501 -36.752 -8.240 528 2HG GLU 64 HG2 GLU 64 25.620 -35.431 -7.978 529 H GLN 65 HN GLN 65 24.378 -30.921 -9.334 530 HA GLN 65 HA GLN 65 24.095 -30.876 -12.261 531 1HB GLN 65 HB1 GLN 65 24.419 -28.675 -10.208 532 2HB GLN 65 HB2 GLN 65 24.414 -28.371 -11.935 533 1HG GLN 65 HG1 GLN 65 22.124 -29.266 -12.133 534 2HG GLN 65 HG2 GLN 65 22.097 -29.663 -10.425 535 1HE2 GLN 65 HE21 GLN 65 21.199 -26.366 -9.550 536 2HE2 GLN 65 HE22 GLN 65 21.431 -28.000 -8.979 Start of MODEL 42 Raw file had 536 H/Q atoms 1 1H MET 1 HT3 MET 1 18.692 -42.568 -6.195 2 2H MET 1 HT2 MET 1 18.274 -41.811 -4.722 3 3H MET 1 HT1 MET 1 19.899 -41.988 -5.171 4 HA MET 1 HA MET 1 19.774 -44.360 -4.969 5 1HB MET 1 HB1 MET 1 18.770 -42.757 -2.612 6 2HB MET 1 HB2 MET 1 19.239 -44.434 -2.470 7 1HG MET 1 HG1 MET 1 21.109 -42.231 -3.401 8 2HG MET 1 HG2 MET 1 20.991 -42.800 -1.753 9 1HE MET 1 HE3 MET 1 22.381 -43.004 -5.063 10 2HE MET 1 HE1 MET 1 23.922 -43.321 -4.265 11 3HE MET 1 HE2 MET 1 23.151 -44.562 -5.267 12 H LEU 2 HN LEU 2 16.497 -43.009 -4.452 13 HA LEU 2 HA LEU 2 15.311 -45.456 -3.626 14 1HB LEU 2 HB1 LEU 2 14.314 -42.727 -4.321 15 2HB LEU 2 HB2 LEU 2 13.162 -44.024 -4.215 16 HG LEU 2 HG LEU 2 13.826 -44.469 -1.885 17 1HD1 LEU 2 HD13 LEU 2 15.545 -41.971 -2.068 18 2HD1 LEU 2 HD11 LEU 2 15.132 -42.834 -0.591 19 3HD1 LEU 2 HD12 LEU 2 16.134 -43.609 -1.804 20 1HD2 LEU 2 HD22 LEU 2 11.941 -42.983 -2.376 21 2HD2 LEU 2 HD23 LEU 2 12.778 -42.446 -0.928 22 3HD2 LEU 2 HD21 LEU 2 13.024 -41.599 -2.448 23 H GLN 3 HN GLN 3 16.498 -46.300 -5.797 24 HA GLN 3 HA GLN 3 15.262 -46.194 -8.317 25 1HB GLN 3 HB1 GLN 3 17.580 -47.045 -7.832 26 2HB GLN 3 HB2 GLN 3 16.879 -48.517 -7.198 27 1HG GLN 3 HG1 GLN 3 15.740 -48.741 -9.577 28 2HG GLN 3 HG2 GLN 3 16.875 -47.501 -10.061 29 1HE2 GLN 3 HE21 GLN 3 18.174 -51.192 -10.088 30 2HE2 GLN 3 HE22 GLN 3 16.479 -50.795 -10.150 31 H LYS 4 HN LYS 4 14.866 -48.778 -5.874 32 HA LYS 4 HA LYS 4 13.142 -50.438 -7.326 33 1HB LYS 4 HB1 LYS 4 13.269 -50.151 -4.317 34 2HB LYS 4 HB2 LYS 4 12.557 -51.483 -5.198 35 1HG LYS 4 HG1 LYS 4 15.503 -50.756 -5.222 36 2HG LYS 4 HG2 LYS 4 14.780 -52.015 -4.261 37 1HD LYS 4 HD1 LYS 4 14.792 -52.039 -7.294 38 2HD LYS 4 HD2 LYS 4 16.021 -52.769 -6.308 39 1HE LYS 4 HE1 LYS 4 14.839 -54.648 -6.500 40 2HE LYS 4 HE2 LYS 4 13.792 -53.966 -5.267 41 1HZ LYS 4 HZ3 LYS 4 13.345 -53.423 -8.212 42 2HZ LYS 4 HZ1 LYS 4 12.687 -54.751 -7.387 43 3HZ LYS 4 HZ2 LYS 4 12.215 -53.215 -6.933 44 H LYS 5 HN LYS 5 12.306 -47.720 -5.233 45 HA LYS 5 HA LYS 5 9.476 -48.065 -5.347 46 1HB LYS 5 HB1 LYS 5 11.153 -45.632 -4.705 47 2HB LYS 5 HB2 LYS 5 9.410 -45.712 -4.535 48 1HG LYS 5 HG1 LYS 5 9.727 -47.661 -2.941 49 2HG LYS 5 HG2 LYS 5 11.451 -47.370 -3.020 50 1HD LYS 5 HD1 LYS 5 11.110 -46.047 -1.224 51 2HD LYS 5 HD2 LYS 5 10.579 -44.861 -2.387 52 1HE LYS 5 HE1 LYS 5 8.766 -46.726 -0.845 53 2HE LYS 5 HE2 LYS 5 9.069 -45.038 -0.460 54 1HZ LYS 5 HZ1 LYS 5 8.191 -44.435 -2.723 55 2HZ LYS 5 HZ2 LYS 5 7.841 -46.067 -2.953 56 3HZ LYS 5 HZ3 LYS 5 7.039 -45.218 -1.740 57 H ILE 6 HN ILE 6 11.614 -45.831 -7.268 58 HA ILE 6 HA ILE 6 9.451 -45.081 -9.018 59 HB ILE 6 HB ILE 6 12.408 -44.835 -9.509 60 1HG1 ILE 6 HG11 ILE 6 11.650 -42.344 -9.489 61 2HG1 ILE 6 HG12 ILE 6 10.218 -42.932 -8.710 62 1HG2 ILE 6 HG22 ILE 6 10.192 -43.726 -11.349 63 2HG2 ILE 6 HG23 ILE 6 11.891 -43.356 -11.460 64 3HG2 ILE 6 HG21 ILE 6 11.340 -44.983 -11.777 65 1HD1 ILE 6 HD13 ILE 6 13.047 -43.253 -7.653 66 2HD1 ILE 6 HD11 ILE 6 11.857 -42.084 -7.083 67 3HD1 ILE 6 HD12 ILE 6 11.599 -43.802 -6.827 68 H GLU 7 HN GLU 7 11.871 -47.690 -9.269 69 HA GLU 7 HA GLU 7 11.109 -48.833 -11.715 70 1HB GLU 7 HB1 GLU 7 13.074 -49.313 -10.206 71 2HB GLU 7 HB2 GLU 7 11.983 -50.215 -9.185 72 1HG GLU 7 HG1 GLU 7 11.669 -51.912 -10.942 73 2HG GLU 7 HG2 GLU 7 12.724 -50.999 -12.026 74 H GLU 8 HN GLU 8 9.729 -49.821 -8.443 75 HA GLU 8 HA GLU 8 7.781 -51.459 -9.746 76 1HB GLU 8 HB1 GLU 8 8.261 -50.584 -6.925 77 2HB GLU 8 HB2 GLU 8 6.695 -51.261 -7.317 78 1HG GLU 8 HG1 GLU 8 8.155 -53.030 -6.470 79 2HG GLU 8 HG2 GLU 8 7.776 -53.340 -8.148 80 H GLU 9 HN GLU 9 7.609 -48.009 -9.078 81 HA GLU 9 HA GLU 9 4.804 -47.899 -9.980 82 1HB GLU 9 HB1 GLU 9 6.871 -45.762 -9.425 83 2HB GLU 9 HB2 GLU 9 5.201 -45.457 -9.855 84 1HG GLU 9 HG1 GLU 9 5.989 -47.100 -7.409 85 2HG GLU 9 HG2 GLU 9 5.800 -45.377 -7.339 86 H ALA 10 HN ALA 10 7.855 -46.949 -11.561 87 HA ALA 10 HA ALA 10 6.403 -47.148 -14.124 88 1HB ALA 10 HB3 ALA 10 9.116 -45.957 -13.273 89 2HB ALA 10 HB1 ALA 10 8.488 -45.819 -14.907 90 3HB ALA 10 HB2 ALA 10 7.645 -45.040 -13.577 91 H ALA 11 HN ALA 11 7.497 -49.766 -12.983 92 HA ALA 11 HA ALA 11 9.539 -50.815 -14.386 93 1HB ALA 11 HB2 ALA 11 8.430 -51.855 -12.499 94 2HB ALA 11 HB3 ALA 11 6.980 -52.147 -13.452 95 3HB ALA 11 HB1 ALA 11 8.468 -53.005 -13.842 96 H LYS 12 HN LYS 12 7.983 -49.464 -16.474 97 HA LYS 12 HA LYS 12 7.053 -49.639 -18.593 98 1HB LYS 12 HB1 LYS 12 9.105 -51.847 -18.695 99 2HB LYS 12 HB2 LYS 12 8.295 -51.195 -20.103 100 1HG LYS 12 HG1 LYS 12 9.256 -48.961 -19.643 101 2HG LYS 12 HG2 LYS 12 10.045 -49.592 -18.200 102 1HD LYS 12 HD1 LYS 12 11.350 -51.156 -19.608 103 2HD LYS 12 HD2 LYS 12 10.571 -50.510 -21.045 104 1HE LYS 12 HE1 LYS 12 11.520 -48.278 -20.565 105 2HE LYS 12 HE2 LYS 12 12.295 -48.921 -19.115 106 1HZ LYS 12 HZ1 LYS 12 12.721 -49.909 -21.880 107 2HZ LYS 12 HZ2 LYS 12 13.815 -48.950 -21.014 108 3HZ LYS 12 HZ3 LYS 12 13.461 -50.521 -20.493 109 OH TYR 13 OH TYR 13 2.508 -48.713 -12.008 110 H TYR 13 HN TYR 13 4.999 -50.526 -17.166 111 HA TYR 13 HA TYR 13 4.629 -53.371 -17.629 112 1HB TYR 13 HB1 TYR 13 4.147 -53.611 -15.295 113 2HB TYR 13 HB2 TYR 13 5.645 -52.756 -15.435 114 HD1 TYR 13 HD1 TYR 13 2.684 -52.883 -13.685 115 HD2 TYR 13 HD2 TYR 13 5.375 -49.851 -15.169 116 HE1 TYR 13 HE1 TYR 13 1.760 -51.223 -12.139 117 HE2 TYR 13 HE2 TYR 13 4.311 -48.296 -13.760 118 HH TYR 13 HH TYR 13 3.030 -47.906 -12.173 119 H LYS 14 HN LYS 14 2.208 -52.902 -15.911 120 HA LYS 14 HA LYS 14 0.294 -52.861 -18.084 121 1HB LYS 14 HB1 LYS 14 0.257 -54.434 -16.108 122 2HB LYS 14 HB2 LYS 14 -0.187 -53.081 -15.087 123 1HG LYS 14 HG1 LYS 14 -2.295 -52.807 -16.346 124 2HG LYS 14 HG2 LYS 14 -1.845 -54.132 -17.411 125 1HD LYS 14 HD1 LYS 14 -1.772 -55.665 -15.451 126 2HD LYS 14 HD2 LYS 14 -2.248 -54.349 -14.403 127 1HE LYS 14 HE1 LYS 14 -3.944 -55.445 -16.659 128 2HE LYS 14 HE2 LYS 14 -4.090 -55.927 -14.975 129 1HZ LYS 14 HZ3 LYS 14 -4.547 -53.547 -14.376 130 2HZ LYS 14 HZ1 LYS 14 -4.420 -53.181 -16.027 131 3HZ LYS 14 HZ2 LYS 14 -5.675 -54.177 -15.493 132 OH TYR 15 OH TYR 15 -4.395 -52.810 -13.047 133 H TYR 15 HN TYR 15 0.953 -50.745 -15.292 134 HA TYR 15 HA TYR 15 -1.051 -48.843 -16.279 135 1HB TYR 15 HB1 TYR 15 0.316 -48.920 -13.581 136 2HB TYR 15 HB2 TYR 15 -0.936 -47.805 -14.080 137 HD1 TYR 15 HD1 TYR 15 -0.491 -50.707 -12.257 138 HD2 TYR 15 HD2 TYR 15 -3.064 -49.147 -15.252 139 HE1 TYR 15 HE1 TYR 15 -2.133 -52.458 -11.754 140 HE2 TYR 15 HE2 TYR 15 -4.724 -50.880 -14.714 141 HH TYR 15 HH TYR 15 -4.105 -53.333 -12.290 142 H ALA 16 HN ALA 16 0.396 -48.582 -17.997 143 HA ALA 16 HA ALA 16 2.733 -47.034 -18.046 144 1HB ALA 16 HB1 ALA 16 0.514 -47.274 -20.105 145 2HB ALA 16 HB2 ALA 16 2.127 -46.640 -20.416 146 3HB ALA 16 HB3 ALA 16 1.920 -48.323 -19.949 147 H MET 17 HN MET 17 -0.604 -45.954 -17.970 148 HA MET 17 HA MET 17 -0.188 -43.151 -18.237 149 1HB MET 17 HB1 MET 17 -2.435 -44.712 -16.914 150 2HB MET 17 HB2 MET 17 -2.476 -42.990 -17.235 151 1HG MET 17 HG1 MET 17 -2.359 -43.364 -19.639 152 2HG MET 17 HG2 MET 17 -2.175 -45.091 -19.413 153 1HE MET 17 HE2 MET 17 -4.096 -46.669 -19.691 154 2HE MET 17 HE3 MET 17 -4.190 -46.499 -17.924 155 3HE MET 17 HE1 MET 17 -5.643 -46.425 -18.904 156 H LEU 18 HN LEU 18 0.045 -45.274 -15.445 157 HA LEU 18 HA LEU 18 0.122 -43.030 -13.573 158 1HB LEU 18 HB1 LEU 18 0.267 -45.984 -12.937 159 2HB LEU 18 HB2 LEU 18 -0.012 -44.668 -11.813 160 HG LEU 18 HG LEU 18 -1.908 -45.490 -14.055 161 1HD1 LEU 18 HD13 LEU 18 -1.905 -47.103 -12.185 162 2HD1 LEU 18 HD11 LEU 18 -2.222 -45.784 -11.072 163 3HD1 LEU 18 HD12 LEU 18 -3.422 -46.221 -12.277 164 1HD2 LEU 18 HD22 LEU 18 -2.290 -43.441 -11.877 165 2HD2 LEU 18 HD23 LEU 18 -2.124 -43.070 -13.586 166 3HD2 LEU 18 HD21 LEU 18 -3.537 -43.947 -13.018 167 H LYS 19 HN LYS 19 2.496 -45.686 -14.464 168 HA LYS 19 HA LYS 19 4.760 -44.348 -13.901 169 1HB LYS 19 HB1 LYS 19 4.708 -46.414 -15.214 170 2HB LYS 19 HB2 LYS 19 3.750 -45.681 -16.467 171 1HG LYS 19 HG1 LYS 19 5.662 -44.491 -17.370 172 2HG LYS 19 HG2 LYS 19 6.683 -45.037 -16.059 173 1HD LYS 19 HD1 LYS 19 6.198 -47.416 -16.810 174 2HD LYS 19 HD2 LYS 19 5.311 -46.750 -18.160 175 1HE LYS 19 HE1 LYS 19 7.408 -47.356 -19.027 176 2HE LYS 19 HE2 LYS 19 7.436 -45.610 -18.886 177 1HZ LYS 19 HZ2 LYS 19 8.501 -47.304 -16.639 178 2HZ LYS 19 HZ3 LYS 19 9.431 -46.943 -18.002 179 3HZ LYS 19 HZ1 LYS 19 8.884 -45.680 -17.036 180 H LYS 20 HN LYS 20 2.773 -43.237 -16.810 181 HA LYS 20 HA LYS 20 4.360 -40.945 -17.249 182 1HB LYS 20 HB1 LYS 20 2.655 -41.921 -18.798 183 2HB LYS 20 HB2 LYS 20 1.396 -41.258 -17.786 184 1HG LYS 20 HG1 LYS 20 3.243 -39.127 -18.486 185 2HG LYS 20 HG2 LYS 20 2.834 -40.004 -19.935 186 1HD LYS 20 HD1 LYS 20 0.797 -39.078 -20.052 187 2HD LYS 20 HD2 LYS 20 0.407 -39.494 -18.402 188 1HE LYS 20 HE1 LYS 20 2.109 -37.094 -19.132 189 2HE LYS 20 HE2 LYS 20 0.359 -37.022 -18.967 190 1HZ LYS 20 HZ3 LYS 20 2.236 -37.992 -16.840 191 2HZ LYS 20 HZ1 LYS 20 1.473 -36.441 -16.826 192 3HZ LYS 20 HZ2 LYS 20 0.557 -37.875 -16.732 193 H CYS 21 HN CYS 21 1.604 -41.262 -14.864 194 HA CYS 21 HA CYS 21 1.846 -38.716 -13.735 195 1HB CYS 21 HB1 CYS 21 1.309 -41.345 -12.400 196 2HB CYS 21 HB2 CYS 21 1.261 -39.823 -11.553 197 H CYS 22 HN CYS 22 3.900 -41.555 -12.832 198 HA CYS 22 HA CYS 22 5.987 -40.259 -11.397 199 1HB CYS 22 HB1 CYS 22 5.711 -42.728 -12.160 200 2HB CYS 22 HB2 CYS 22 6.841 -42.199 -13.346 201 OH TYR 23 OH TYR 23 9.862 -44.365 -16.918 202 H TYR 23 HN TYR 23 5.785 -40.346 -14.863 203 HA TYR 23 HA TYR 23 8.034 -38.604 -15.001 204 1HB TYR 23 HB1 TYR 23 6.156 -39.485 -17.134 205 2HB TYR 23 HB2 TYR 23 7.730 -38.749 -17.366 206 HD1 TYR 23 HD1 TYR 23 7.428 -41.035 -18.652 207 HD2 TYR 23 HD2 TYR 23 8.143 -41.082 -14.386 208 HE1 TYR 23 HE1 TYR 23 8.723 -43.109 -18.870 209 HE2 TYR 23 HE2 TYR 23 9.465 -43.074 -14.701 210 HH TYR 23 HH TYR 23 10.123 -44.443 -17.842 211 H ASP 24 HN ASP 24 4.602 -37.845 -15.154 212 HA ASP 24 HA ASP 24 4.710 -35.045 -15.325 213 1HB ASP 24 HB1 ASP 24 2.774 -36.951 -14.775 214 2HB ASP 24 HB2 ASP 24 2.868 -36.130 -13.236 215 H GLY 25 HN GLY 25 5.279 -37.020 -12.375 216 1HA GLY 25 HA1 GLY 25 6.121 -34.798 -10.767 217 2HA GLY 25 HA2 GLY 25 6.443 -36.478 -10.431 218 H ALA 26 HN ALA 26 8.048 -37.076 -12.690 219 HA ALA 26 HA ALA 26 10.599 -36.138 -11.940 220 1HB ALA 26 HB1 ALA 26 10.271 -38.273 -13.095 221 2HB ALA 26 HB2 ALA 26 9.788 -37.423 -14.562 222 3HB ALA 26 HB3 ALA 26 11.433 -37.275 -13.959 223 OH TYR 27 OH TYR 27 11.256 -36.363 -20.449 224 H TYR 27 HN TYR 27 8.651 -34.990 -14.773 225 HA TYR 27 HA TYR 27 10.621 -33.010 -15.455 226 1HB TYR 27 HB1 TYR 27 7.770 -33.443 -16.341 227 2HB TYR 27 HB2 TYR 27 8.704 -32.069 -16.891 228 HD1 TYR 27 HD1 TYR 27 8.284 -35.696 -17.154 229 HD2 TYR 27 HD2 TYR 27 10.774 -32.447 -18.282 230 HE1 TYR 27 HE1 TYR 27 9.373 -37.107 -18.872 231 HE2 TYR 27 HE2 TYR 27 11.854 -33.858 -19.972 232 HH TYR 27 HH TYR 27 11.933 -35.870 -20.914 233 NH1 ARG 28 NH1 ARG 28 12.564 -29.237 -7.523 234 NH2 ARG 28 NH2 ARG 28 11.393 -30.731 -6.407 235 H ARG 28 HN ARG 28 10.850 -32.330 -13.163 236 HA ARG 28 HA ARG 28 9.083 -30.021 -12.544 237 1HB ARG 28 HB1 ARG 28 9.259 -32.217 -11.056 238 2HB ARG 28 HB2 ARG 28 10.737 -31.475 -10.493 239 1HG ARG 28 HG1 ARG 28 8.989 -29.366 -10.208 240 2HG ARG 28 HG2 ARG 28 7.898 -30.719 -10.011 241 1HD ARG 28 HD1 ARG 28 8.672 -30.133 -7.838 242 2HD ARG 28 HD2 ARG 28 9.508 -31.632 -8.279 243 HE ARG 28 HE ARG 28 10.981 -29.252 -9.088 244 1HH1 ARG 28 HH12 ARG 28 12.638 -28.644 -8.344 245 2HH1 ARG 28 HH11 ARG 28 13.242 -29.218 -6.788 246 1HH2 ARG 28 HH22 ARG 28 10.558 -31.255 -6.345 247 2HH2 ARG 28 HH21 ARG 28 12.108 -30.793 -5.696 248 H ASN 29 HN ASN 29 10.059 -28.060 -11.739 249 HA ASN 29 HA ASN 29 12.975 -27.828 -12.267 250 1HB ASN 29 HB1 ASN 29 10.775 -25.752 -12.697 251 2HB ASN 29 HB2 ASN 29 12.489 -25.494 -12.993 252 1HD2 ASN 29 HD21 ASN 29 10.394 -27.590 -15.726 253 2HD2 ASN 29 HD22 ASN 29 9.644 -27.264 -14.193 254 H ASP 30 HN ASP 30 12.659 -24.921 -11.024 255 HA ASP 30 HA ASP 30 12.951 -25.465 -8.271 256 1HB ASP 30 HB1 ASP 30 12.406 -22.872 -9.767 257 2HB ASP 30 HB2 ASP 30 12.784 -22.960 -8.050 258 H ASP 31 HN ASP 31 10.031 -25.863 -9.779 259 HA ASP 31 HA ASP 31 8.381 -24.680 -7.719 260 1HB ASP 31 HB1 ASP 31 6.499 -25.724 -8.951 261 2HB ASP 31 HB2 ASP 31 7.491 -24.669 -9.929 262 H GLU 32 HN GLU 32 9.787 -25.752 -6.158 263 HA GLU 32 HA GLU 32 9.895 -28.433 -5.491 264 1HB GLU 32 HB1 GLU 32 10.516 -25.868 -4.224 265 2HB GLU 32 HB2 GLU 32 9.952 -27.003 -3.034 266 1HG GLU 32 HG1 GLU 32 12.271 -27.277 -2.984 267 2HG GLU 32 HG2 GLU 32 11.744 -28.636 -3.938 268 H THR 33 HN THR 33 6.932 -26.559 -5.111 269 HA THR 33 HA THR 33 5.962 -28.051 -2.860 270 HB THR 33 HB THR 33 3.907 -26.623 -3.324 271 HG1 THR 33 HG1 THR 33 4.029 -25.685 -5.338 272 1HG2 THR 33 HG21 THR 33 5.576 -26.006 -1.634 273 2HG2 THR 33 HG22 THR 33 6.523 -25.203 -2.889 274 3HG2 THR 33 HG23 THR 33 4.929 -24.586 -2.471 275 H CYS 34 HN CYS 34 6.367 -30.011 -3.991 276 HA CYS 34 HA CYS 34 5.072 -31.020 -6.247 277 1HB CYS 34 HB1 CYS 34 6.166 -32.411 -3.803 278 2HB CYS 34 HB2 CYS 34 5.457 -33.311 -5.128 279 H GLU 35 HN GLU 35 3.930 -31.288 -2.880 280 HA GLU 35 HA GLU 35 1.555 -32.746 -3.543 281 1HB GLU 35 HB1 GLU 35 2.171 -31.034 -1.084 282 2HB GLU 35 HB2 GLU 35 0.815 -32.128 -1.222 283 1HG GLU 35 HG1 GLU 35 2.415 -33.275 0.107 284 2HG GLU 35 HG2 GLU 35 2.491 -34.040 -1.455 285 H GLU 36 HN GLU 36 2.190 -29.303 -3.580 286 HA GLU 36 HA GLU 36 -0.556 -28.442 -3.813 287 1HB GLU 36 HB1 GLU 36 1.084 -26.895 -3.023 288 2HB GLU 36 HB2 GLU 36 2.162 -27.224 -4.360 289 1HG GLU 36 HG1 GLU 36 -0.478 -25.918 -5.016 290 2HG GLU 36 HG2 GLU 36 0.756 -24.954 -4.228 291 NH1 ARG 37 NH1 ARG 37 5.961 -31.511 -13.068 292 NH2 ARG 37 NH2 ARG 37 6.376 -29.538 -12.333 293 H ARG 37 HN ARG 37 2.072 -28.798 -6.154 294 HA ARG 37 HA ARG 37 0.659 -28.680 -8.566 295 1HB ARG 37 HB1 ARG 37 3.073 -28.546 -8.368 296 2HB ARG 37 HB2 ARG 37 3.162 -30.183 -7.762 297 1HG ARG 37 HG1 ARG 37 2.572 -31.096 -9.930 298 2HG ARG 37 HG2 ARG 37 2.242 -29.496 -10.578 299 1HD ARG 37 HD1 ARG 37 4.534 -28.872 -10.489 300 2HD ARG 37 HD2 ARG 37 4.960 -30.237 -9.468 301 HE ARG 37 HE ARG 37 3.990 -31.409 -11.799 302 1HH1 ARG 37 HH12 ARG 37 5.488 -32.410 -13.073 303 2HH1 ARG 37 HH11 ARG 37 6.743 -31.355 -13.691 304 1HH2 ARG 37 HH22 ARG 37 6.242 -28.746 -11.712 305 2HH2 ARG 37 HH21 ARG 37 7.084 -29.545 -13.021 306 H ALA 38 HN ALA 38 1.410 -31.702 -6.682 307 HA ALA 38 HA ALA 38 -0.566 -33.124 -8.230 308 1HB ALA 38 HB2 ALA 38 1.419 -34.013 -6.206 309 2HB ALA 38 HB3 ALA 38 0.256 -35.082 -7.026 310 3HB ALA 38 HB1 ALA 38 1.392 -34.150 -8.000 311 H ALA 39 HN ALA 39 -1.188 -31.288 -5.317 312 HA ALA 39 HA ALA 39 -3.712 -32.543 -5.051 313 1HB ALA 39 HB1 ALA 39 -2.943 -30.786 -3.519 314 2HB ALA 39 HB2 ALA 39 -2.989 -29.600 -4.819 315 3HB ALA 39 HB3 ALA 39 -4.488 -30.334 -4.241 316 NH1 ARG 40 NH1 ARG 40 -0.269 -26.015 -11.969 317 NH2 ARG 40 NH2 ARG 40 0.356 -25.662 -9.908 318 H ARG 40 HN ARG 40 -2.592 -30.075 -7.375 319 HA ARG 40 HA ARG 40 -4.968 -30.036 -8.963 320 1HB ARG 40 HB1 ARG 40 -2.085 -29.428 -9.660 321 2HB ARG 40 HB2 ARG 40 -3.428 -29.124 -10.744 322 1HG ARG 40 HG1 ARG 40 -4.158 -27.284 -9.582 323 2HG ARG 40 HG2 ARG 40 -3.709 -27.936 -8.021 324 1HD ARG 40 HD1 ARG 40 -2.367 -25.959 -8.556 325 2HD ARG 40 HD2 ARG 40 -1.359 -27.391 -8.427 326 HE ARG 40 HE ARG 40 -2.203 -26.965 -11.138 327 1HH1 ARG 40 HH12 ARG 40 -0.930 -26.362 -12.617 328 2HH1 ARG 40 HH11 ARG 40 0.576 -25.591 -12.255 329 1HH2 ARG 40 HH22 ARG 40 0.218 -25.708 -8.903 330 2HH2 ARG 40 HH21 ARG 40 1.178 -25.256 -10.271 331 H ILE 41 HN ILE 41 -1.984 -31.993 -9.621 332 HA ILE 41 HA ILE 41 -3.359 -33.807 -11.285 333 HB ILE 41 HB ILE 41 -0.675 -34.373 -9.991 334 1HG1 ILE 41 HG11 ILE 41 -0.345 -33.962 -12.725 335 2HG1 ILE 41 HG12 ILE 41 -1.558 -32.738 -12.306 336 1HG2 ILE 41 HG23 ILE 41 -2.114 -35.725 -12.164 337 2HG2 ILE 41 HG21 ILE 41 -0.365 -35.849 -11.651 338 3HG2 ILE 41 HG22 ILE 41 -1.711 -36.392 -10.577 339 1HD1 ILE 41 HD12 ILE 41 0.841 -33.224 -10.646 340 2HD1 ILE 41 HD13 ILE 41 0.891 -32.080 -12.030 341 3HD1 ILE 41 HD11 ILE 41 -0.170 -31.805 -10.636 342 H LYS 42 HN LYS 42 -4.942 -34.207 -10.436 343 HA LYS 42 HA LYS 42 -5.403 -35.695 -7.900 344 1HB LYS 42 HB1 LYS 42 -7.700 -34.900 -7.930 345 2HB LYS 42 HB2 LYS 42 -6.556 -33.583 -8.014 346 1HG LYS 42 HG1 LYS 42 -7.274 -32.863 -10.034 347 2HG LYS 42 HG2 LYS 42 -7.483 -34.467 -10.691 348 1HD LYS 42 HD1 LYS 42 -9.453 -33.496 -8.638 349 2HD LYS 42 HD2 LYS 42 -9.546 -32.865 -10.262 350 1HE LYS 42 HE1 LYS 42 -11.086 -34.670 -10.138 351 2HE LYS 42 HE2 LYS 42 -9.742 -35.204 -11.130 352 1HZ LYS 42 HZ3 LYS 42 -10.025 -35.813 -8.242 353 2HZ LYS 42 HZ1 LYS 42 -10.445 -36.878 -9.485 354 3HZ LYS 42 HZ2 LYS 42 -8.819 -36.466 -9.255 355 H ILE 43 HN ILE 43 -4.667 -37.061 -10.478 356 HA ILE 43 HA ILE 43 -7.037 -38.188 -11.636 357 HB ILE 43 HB ILE 43 -4.146 -38.923 -12.033 358 1HG1 ILE 43 HG11 ILE 43 -4.414 -36.640 -12.685 359 2HG1 ILE 43 HG12 ILE 43 -4.189 -37.628 -14.100 360 1HG2 ILE 43 HG23 ILE 43 -6.488 -39.719 -13.767 361 2HG2 ILE 43 HG21 ILE 43 -4.792 -39.912 -14.202 362 3HG2 ILE 43 HG22 ILE 43 -5.451 -40.788 -12.835 363 1HD1 ILE 43 HD13 ILE 43 -6.621 -37.447 -14.621 364 2HD1 ILE 43 HD11 ILE 43 -6.847 -36.442 -13.193 365 3HD1 ILE 43 HD12 ILE 43 -5.849 -35.874 -14.521 366 H GLY 44 HN GLY 44 -4.612 -39.669 -9.433 367 1HA GLY 44 HA1 GLY 44 -6.638 -41.293 -8.269 368 2HA GLY 44 HA2 GLY 44 -5.687 -42.263 -9.368 369 HA PRO 45 HA PRO 45 -3.812 -42.028 -4.847 370 1HB PRO 45 HB1 PRO 45 -4.483 -44.974 -5.145 371 2HB PRO 45 HB2 PRO 45 -4.388 -43.979 -3.680 372 1HG PRO 45 HG1 PRO 45 -6.771 -44.441 -4.699 373 2HG PRO 45 HG2 PRO 45 -6.372 -42.768 -4.252 374 1HD PRO 45 HD1 PRO 45 -6.289 -44.063 -6.999 375 2HD PRO 45 HD2 PRO 45 -7.006 -42.514 -6.501 376 H LYS 46 HN LYS 46 -3.301 -44.741 -7.132 377 HA LYS 46 HA LYS 46 -0.510 -45.014 -6.588 378 1HB LYS 46 HB1 LYS 46 -2.151 -46.748 -7.571 379 2HB LYS 46 HB2 LYS 46 -1.862 -45.972 -9.108 380 1HG LYS 46 HG1 LYS 46 0.639 -46.426 -8.725 381 2HG LYS 46 HG2 LYS 46 0.168 -47.374 -7.333 382 1HD LYS 46 HD1 LYS 46 -1.339 -48.690 -9.026 383 2HD LYS 46 HD2 LYS 46 -0.343 -47.934 -10.252 384 1HE LYS 46 HE1 LYS 46 0.749 -49.641 -8.007 385 2HE LYS 46 HE2 LYS 46 0.354 -50.250 -9.603 386 1HZ LYS 46 HZ2 LYS 46 2.375 -48.066 -9.056 387 2HZ LYS 46 HZ3 LYS 46 2.722 -49.692 -9.333 388 3HZ LYS 46 HZ1 LYS 46 2.075 -48.819 -10.618 389 H CYS 47 HN CYS 47 -2.275 -42.908 -8.763 390 HA CYS 47 HA CYS 47 -0.100 -42.016 -10.373 391 1HB CYS 47 HB1 CYS 47 -2.422 -41.595 -11.060 392 2HB CYS 47 HB2 CYS 47 -2.679 -40.634 -9.633 393 H VAL 48 HN VAL 48 -1.680 -40.070 -7.679 394 HA VAL 48 HA VAL 48 0.327 -38.522 -7.125 395 HB VAL 48 HB VAL 48 -0.696 -39.458 -4.507 396 1HG1 VAL 48 HG11 VAL 48 0.250 -37.136 -5.091 397 2HG1 VAL 48 HG12 VAL 48 -1.104 -37.003 -6.231 398 3HG1 VAL 48 HG13 VAL 48 -1.409 -37.017 -4.487 399 1HG2 VAL 48 HG22 VAL 48 -2.544 -40.239 -5.636 400 2HG2 VAL 48 HG23 VAL 48 -2.949 -38.821 -4.661 401 3HG2 VAL 48 HG21 VAL 48 -2.821 -38.681 -6.416 402 H LYS 49 HN LYS 49 0.187 -41.814 -5.788 403 HA LYS 49 HA LYS 49 2.631 -41.728 -4.385 404 1HB LYS 49 HB1 LYS 49 0.625 -43.660 -4.906 405 2HB LYS 49 HB2 LYS 49 2.129 -44.416 -5.351 406 1HG LYS 49 HG1 LYS 49 2.596 -43.118 -2.826 407 2HG LYS 49 HG2 LYS 49 1.021 -43.862 -2.719 408 1HD LYS 49 HD1 LYS 49 2.340 -45.590 -1.976 409 2HD LYS 49 HD2 LYS 49 2.262 -45.989 -3.674 410 1HE LYS 49 HE1 LYS 49 4.570 -44.611 -2.274 411 2HE LYS 49 HE2 LYS 49 4.522 -46.291 -2.807 412 1HZ LYS 49 HZ1 LYS 49 4.131 -45.446 -5.148 413 2HZ LYS 49 HZ2 LYS 49 4.359 -43.890 -4.530 414 3HZ LYS 49 HZ3 LYS 49 5.674 -44.890 -4.573 415 H ALA 50 HN ALA 50 2.267 -43.027 -7.773 416 HA ALA 50 HA ALA 50 5.012 -43.319 -8.453 417 1HB ALA 50 HB2 ALA 50 3.107 -44.065 -9.816 418 2HB ALA 50 HB3 ALA 50 2.705 -42.404 -10.186 419 3HB ALA 50 HB1 ALA 50 4.203 -43.112 -10.783 420 H PHE 51 HN PHE 51 2.936 -40.411 -8.724 421 HA PHE 51 HA PHE 51 4.756 -38.495 -9.597 422 1HB PHE 51 HB1 PHE 51 2.177 -38.431 -9.111 423 2HB PHE 51 HB2 PHE 51 2.625 -37.958 -7.495 424 HD1 PHE 51 HD1 PHE 51 1.710 -36.695 -10.638 425 HD2 PHE 51 HD2 PHE 51 4.221 -35.779 -7.329 426 HE1 PHE 51 HE1 PHE 51 2.133 -34.605 -11.600 427 HE2 PHE 51 HE2 PHE 51 4.675 -33.578 -8.314 428 HZ PHE 51 HZ PHE 51 3.711 -32.994 -10.498 429 H LYS 52 HN LYS 52 3.950 -39.191 -6.150 430 HA LYS 52 HA LYS 52 5.828 -37.467 -5.047 431 1HB LYS 52 HB1 LYS 52 3.893 -38.404 -3.850 432 2HB LYS 52 HB2 LYS 52 4.600 -39.996 -3.896 433 1HG LYS 52 HG1 LYS 52 4.801 -39.065 -1.670 434 2HG LYS 52 HG2 LYS 52 6.396 -39.262 -2.361 435 1HD LYS 52 HD1 LYS 52 6.516 -36.850 -2.843 436 2HD LYS 52 HD2 LYS 52 4.882 -36.627 -2.231 437 1HE LYS 52 HE1 LYS 52 5.568 -37.278 -0.003 438 2HE LYS 52 HE2 LYS 52 7.171 -37.729 -0.580 439 1HZ LYS 52 HZ2 LYS 52 7.461 -35.425 -1.338 440 2HZ LYS 52 HZ3 LYS 52 5.955 -34.951 -0.672 441 3HZ LYS 52 HZ1 LYS 52 7.234 -35.503 0.334 442 H ASP 53 HN ASP 53 6.265 -40.986 -5.772 443 HA ASP 53 HA ASP 53 8.957 -41.132 -4.876 444 1HB ASP 53 HB1 ASP 53 7.432 -42.736 -6.923 445 2HB ASP 53 HB2 ASP 53 9.116 -43.062 -6.570 446 H CYS 54 HN CYS 54 7.866 -40.467 -8.251 447 HA CYS 54 HA CYS 54 10.435 -39.703 -9.104 448 1HB CYS 54 HB1 CYS 54 7.717 -39.338 -10.199 449 2HB CYS 54 HB2 CYS 54 9.047 -38.479 -10.921 450 H CYS 55 HN CYS 55 7.988 -37.495 -7.603 451 HA CYS 55 HA CYS 55 9.534 -35.164 -7.655 452 1HB CYS 55 HB1 CYS 55 7.297 -35.158 -6.742 453 2HB CYS 55 HB2 CYS 55 7.762 -36.257 -5.464 454 OH TYR 56 OH TYR 56 9.383 -38.428 1.306 455 H TYR 56 HN TYR 56 9.813 -37.848 -5.266 456 HA TYR 56 HA TYR 56 12.135 -36.927 -4.012 457 1HB TYR 56 HB1 TYR 56 11.081 -39.709 -4.443 458 2HB TYR 56 HB2 TYR 56 12.642 -39.484 -3.699 459 HD1 TYR 56 HD1 TYR 56 9.507 -40.276 -2.790 460 HD2 TYR 56 HD2 TYR 56 12.378 -37.294 -1.817 461 HE1 TYR 56 HE1 TYR 56 8.551 -40.079 -0.550 462 HE2 TYR 56 HE2 TYR 56 11.378 -37.082 0.416 463 HH TYR 56 HH TYR 56 8.658 -39.046 1.418 464 H ILE 57 HN ILE 57 12.171 -39.009 -7.092 465 HA ILE 57 HA ILE 57 14.978 -38.493 -7.096 466 HB ILE 57 HB ILE 57 15.250 -39.283 -9.376 467 1HG1 ILE 57 HG11 ILE 57 13.681 -41.007 -10.166 468 2HG1 ILE 57 HG12 ILE 57 12.494 -40.377 -9.045 469 1HG2 ILE 57 HG21 ILE 57 14.349 -41.127 -7.171 470 2HG2 ILE 57 HG22 ILE 57 15.249 -41.635 -8.598 471 3HG2 ILE 57 HG23 ILE 57 15.972 -40.511 -7.459 472 1HD1 ILE 57 HD11 ILE 57 13.721 -38.776 -11.315 473 2HD1 ILE 57 HD12 ILE 57 12.137 -39.556 -11.349 474 3HD1 ILE 57 HD13 ILE 57 12.440 -38.262 -10.198 475 H ALA 58 HN ALA 58 12.447 -36.507 -8.581 476 HA ALA 58 HA ALA 58 14.081 -34.715 -9.964 477 1HB ALA 58 HB2 ALA 58 11.657 -34.523 -9.902 478 2HB ALA 58 HB3 ALA 58 11.709 -34.080 -8.198 479 3HB ALA 58 HB1 ALA 58 12.406 -33.008 -9.410 480 H ASN 59 HN ASN 59 13.314 -34.591 -6.478 481 HA ASN 59 HA ASN 59 15.252 -32.601 -5.819 482 1HB ASN 59 HB1 ASN 59 13.901 -34.630 -4.015 483 2HB ASN 59 HB2 ASN 59 14.861 -33.263 -3.463 484 1HD2 ASN 59 HD21 ASN 59 11.143 -32.855 -3.718 485 2HD2 ASN 59 HD22 ASN 59 11.624 -34.022 -4.920 486 H GLN 60 HN GLN 60 15.571 -36.204 -5.641 487 HA GLN 60 HA GLN 60 18.280 -36.120 -4.806 488 1HB GLN 60 HB1 GLN 60 16.672 -38.247 -6.162 489 2HB GLN 60 HB2 GLN 60 18.369 -38.473 -5.859 490 1HG GLN 60 HG1 GLN 60 18.102 -38.464 -3.509 491 2HG GLN 60 HG2 GLN 60 16.513 -37.718 -3.586 492 1HE2 GLN 60 HE21 GLN 60 14.822 -40.747 -4.115 493 2HE2 GLN 60 HE22 GLN 60 14.752 -39.008 -4.206 494 H VAL 61 HN VAL 61 17.092 -36.270 -8.299 495 HA VAL 61 HA VAL 61 19.764 -36.315 -9.275 496 HB VAL 61 HB VAL 61 17.640 -36.962 -10.504 497 1HG1 VAL 61 HG12 VAL 61 16.360 -34.900 -10.399 498 2HG1 VAL 61 HG13 VAL 61 17.585 -34.051 -11.339 499 3HG1 VAL 61 HG11 VAL 61 16.668 -35.359 -12.069 500 1HG2 VAL 61 HG21 VAL 61 19.821 -37.138 -11.536 501 2HG2 VAL 61 HG22 VAL 61 18.661 -36.544 -12.717 502 3HG2 VAL 61 HG23 VAL 61 19.799 -35.430 -11.964 503 NH1 ARG 62 NH1 ARG 62 17.109 -25.366 -7.970 504 NH2 ARG 62 NH2 ARG 62 15.524 -26.426 -6.929 505 H ARG 62 HN ARG 62 17.729 -33.544 -8.361 506 HA ARG 62 HA ARG 62 19.518 -31.506 -9.078 507 1HB ARG 62 HB1 ARG 62 17.138 -31.387 -8.083 508 2HB ARG 62 HB2 ARG 62 17.911 -31.515 -6.513 509 1HG ARG 62 HG1 ARG 62 19.216 -29.467 -6.967 510 2HG ARG 62 HG2 ARG 62 18.546 -29.381 -8.585 511 1HD ARG 62 HD1 ARG 62 16.255 -29.129 -7.523 512 2HD ARG 62 HD2 ARG 62 17.084 -28.939 -5.969 513 HE ARG 62 HE ARG 62 18.439 -27.215 -7.610 514 1HH1 ARG 62 HH12 ARG 62 18.025 -25.311 -8.330 515 2HH1 ARG 62 HH11 ARG 62 16.455 -24.585 -8.029 516 1HH2 ARG 62 HH22 ARG 62 15.151 -27.227 -6.458 517 2HH2 ARG 62 HH21 ARG 62 14.995 -25.591 -6.998 518 H ALA 63 HN ALA 63 19.769 -33.729 -6.320 519 HA ALA 63 HA ALA 63 22.210 -32.407 -5.364 520 1HB ALA 63 HB1 ALA 63 20.527 -33.053 -3.716 521 2HB ALA 63 HB2 ALA 63 20.602 -34.730 -4.246 522 3HB ALA 63 HB3 ALA 63 21.997 -33.988 -3.462 523 H GLU 64 HN GLU 64 21.330 -35.666 -6.659 524 HA GLU 64 HA GLU 64 24.017 -36.697 -6.426 525 1HB GLU 64 HB1 GLU 64 21.590 -37.756 -7.896 526 2HB GLU 64 HB2 GLU 64 23.088 -38.635 -7.717 527 1HG GLU 64 HG1 GLU 64 22.761 -38.795 -5.276 528 2HG GLU 64 HG2 GLU 64 21.353 -37.753 -5.365 529 H GLN 65 HN GLN 65 24.698 -34.567 -7.691 530 HA GLN 65 HA GLN 65 25.479 -35.479 -10.372 531 1HB GLN 65 HB1 GLN 65 24.958 -33.309 -11.409 532 2HB GLN 65 HB2 GLN 65 23.550 -34.199 -10.876 533 1HG GLN 65 HG1 GLN 65 23.334 -32.683 -8.895 534 2HG GLN 65 HG2 GLN 65 24.753 -31.797 -9.427 535 1HE2 GLN 65 HE21 GLN 65 21.298 -31.209 -11.462 536 2HE2 GLN 65 HE22 GLN 65 21.389 -32.643 -10.470 DONE!
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