NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
562782 | 2m6n | 19147 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H SER 13 H SER 13 -0.705 -14.740 -29.033 2 HA SER 13 HA SER 13 -0.005 -17.372 -30.137 3 HB2 SER 13 2HB SER 13 -1.961 -15.268 -31.083 4 HB3 SER 13 3HB SER 13 -1.566 -16.720 -32.002 5 HG SER 13 HG SER 13 -2.851 -17.808 -30.757 6 H LEU 14 H LEU 14 1.075 -14.214 -30.031 7 HA LEU 14 HA LEU 14 1.977 -13.808 -32.675 8 HB2 LEU 14 2HB LEU 14 2.661 -12.668 -30.007 9 HB3 LEU 14 3HB LEU 14 3.711 -12.322 -31.379 10 HG LEU 14 HG LEU 14 2.054 -10.542 -30.928 11 HD11 LEU 14 1HD1 LEU 14 2.935 -10.692 -33.138 12 HD12 LEU 14 2HD1 LEU 14 1.202 -10.396 -33.272 13 HD13 LEU 14 3HD1 LEU 14 1.843 -12.016 -33.546 14 HD21 LEU 14 3HD2 LEU 14 -0.056 -12.417 -31.943 15 HD22 LEU 14 1HD2 LEU 14 -0.247 -10.854 -31.148 16 HD23 LEU 14 2HD2 LEU 14 0.280 -12.257 -30.218 17 H LYS 15 H LYS 15 4.113 -13.956 -33.521 18 HA LYS 15 HA LYS 15 5.553 -16.283 -32.506 19 HB2 LYS 15 2HB LYS 15 4.952 -15.330 -35.078 20 HB3 LYS 15 3HB LYS 15 6.689 -15.121 -34.895 21 HG2 LYS 15 2HG LYS 15 6.175 -17.270 -35.892 22 HG3 LYS 15 3HG LYS 15 6.914 -17.480 -34.303 23 HD2 LYS 15 2HD LYS 15 4.038 -17.306 -34.099 24 HD3 LYS 15 3HD LYS 15 4.520 -18.590 -35.210 25 HE2 LYS 15 2HE LYS 15 6.260 -18.997 -33.176 26 HE3 LYS 15 3HE LYS 15 4.868 -18.371 -32.295 27 HZ1 LYS 15 3HZ LYS 15 4.376 -20.582 -32.346 28 HZ2 LYS 15 1HZ LYS 15 5.131 -20.848 -33.837 29 HZ3 LYS 15 2HZ LYS 15 3.614 -20.103 -33.779 30 H ALA 16 H ALA 16 7.487 -16.186 -31.539 31 HA ALA 16 HA ALA 16 8.606 -13.590 -30.932 32 HB1 ALA 16 3HB ALA 16 9.205 -16.385 -30.026 33 HB2 ALA 16 1HB ALA 16 10.275 -15.039 -29.630 34 HB3 ALA 16 2HB ALA 16 8.596 -15.021 -29.089 35 H CYS 17 H CYS 17 10.039 -12.622 -32.195 36 HA CYS 17 HA CYS 17 11.219 -13.689 -34.456 37 HB2 CYS 17 2HB CYS 17 11.038 -11.243 -33.791 38 HB3 CYS 17 3HB CYS 17 12.465 -11.498 -32.795 39 HG CYS 17 HG CYS 17 12.813 -12.482 -35.981 40 H ILE 18 H ILE 18 13.431 -14.233 -34.931 41 HA ILE 18 HA ILE 18 14.566 -15.953 -32.910 42 HB ILE 18 HB ILE 18 16.119 -16.678 -34.614 43 HG12 ILE 18 2HG1 ILE 18 14.956 -14.462 -36.316 44 HG13 ILE 18 3HG1 ILE 18 16.579 -14.493 -35.636 45 HG21 ILE 18 1HG2 ILE 18 13.928 -16.665 -36.448 46 HG22 ILE 18 2HG2 ILE 18 14.519 -17.978 -35.432 47 HG23 ILE 18 3HG2 ILE 18 13.315 -16.853 -34.805 48 HD11 ILE 18 3HD1 ILE 18 17.303 -15.529 -37.442 49 HD12 ILE 18 1HD1 ILE 18 16.221 -16.880 -37.108 50 HD13 ILE 18 2HD1 ILE 18 15.670 -15.534 -38.106 51 H ARG 19 H ARG 19 14.751 -12.748 -33.331 52 HA ARG 19 HA ARG 19 17.622 -12.523 -32.796 53 HB2 ARG 19 2HB ARG 19 15.574 -10.362 -33.327 54 HB3 ARG 19 3HB ARG 19 17.305 -10.115 -33.146 55 HG2 ARG 19 2HG ARG 19 17.387 -11.874 -35.124 56 HG3 ARG 19 3HG ARG 19 15.771 -11.229 -35.422 57 HD2 ARG 19 2HD ARG 19 16.907 -9.696 -36.627 58 HD3 ARG 19 3HD ARG 19 17.125 -8.936 -35.052 59 HE ARG 19 HE ARG 19 19.356 -9.442 -35.153 60 HH11 ARG 19 1HH1 ARG 19 17.650 -11.299 -37.553 61 HH12 ARG 19 2HH1 ARG 19 19.092 -11.898 -38.304 62 HH21 ARG 19 1HH2 ARG 19 21.262 -10.224 -36.133 63 HH22 ARG 19 2HH2 ARG 19 21.146 -11.287 -37.494 64 H CYS 20 H CYS 20 14.801 -10.722 -31.580 65 HA CYS 20 HA CYS 20 15.860 -11.094 -28.855 66 HB2 CYS 20 2HB CYS 20 14.766 -8.852 -28.367 67 HB3 CYS 20 3HB CYS 20 16.205 -8.808 -29.379 68 HG CYS 20 HG CYS 20 14.987 -7.172 -30.959 69 H ASN 21 H ASN 21 13.729 -12.475 -30.562 70 HA ASN 21 HA ASN 21 11.641 -13.356 -30.316 71 HB2 ASN 21 2HB ASN 21 12.528 -12.976 -27.462 72 HB3 ASN 21 3HB ASN 21 10.978 -13.714 -27.854 73 HD21 ASN 21 1HD2 ASN 21 11.347 -15.758 -27.224 74 HD22 ASN 21 2HD2 ASN 21 12.566 -16.783 -27.894 75 H SER 22 H SER 22 11.034 -11.162 -31.301 76 HA SER 22 HA SER 22 9.473 -9.509 -29.458 77 HB2 SER 22 2HB SER 22 10.365 -7.889 -30.738 78 HB3 SER 22 3HB SER 22 10.878 -9.044 -31.967 79 HG SER 22 HG SER 22 8.830 -8.938 -32.877 80 HA PRO 23 HA PRO 23 5.544 -10.993 -30.721 81 HB2 PRO 23 2HB PRO 23 4.069 -8.718 -30.846 82 HB3 PRO 23 3HB PRO 23 4.608 -9.430 -29.321 83 HG2 PRO 23 2HG PRO 23 5.782 -7.151 -30.867 84 HG3 PRO 23 3HG PRO 23 5.521 -7.301 -29.119 85 HD2 PRO 23 2HD PRO 23 7.940 -7.698 -30.271 86 HD3 PRO 23 3HD PRO 23 7.418 -8.576 -28.819 87 H ALA 24 H ALA 24 6.098 -11.744 -32.826 88 HA ALA 24 HA ALA 24 5.659 -9.886 -35.046 89 HB1 ALA 24 3HB ALA 24 7.687 -11.281 -35.079 90 HB2 ALA 24 1HB ALA 24 6.675 -12.725 -35.110 91 HB3 ALA 24 2HB ALA 24 6.637 -11.592 -36.461 92 H LYS 25 H LYS 25 3.916 -9.967 -36.336 93 HA LYS 25 HA LYS 25 1.591 -11.310 -35.567 94 HB2 LYS 25 2HB LYS 25 1.419 -9.335 -36.907 95 HB3 LYS 25 3HB LYS 25 2.385 -10.049 -38.192 96 HG2 LYS 25 2HG LYS 25 0.000 -9.965 -38.748 97 HG3 LYS 25 3HG LYS 25 0.617 -11.618 -38.699 98 HD2 LYS 25 2HD LYS 25 -1.555 -11.487 -37.614 99 HD3 LYS 25 3HD LYS 25 -0.301 -11.880 -36.435 100 HE2 LYS 25 2HE LYS 25 -0.257 -9.597 -35.659 101 HE3 LYS 25 3HE LYS 25 -1.388 -9.109 -36.920 102 HZ1 LYS 25 3HZ LYS 25 -2.842 -9.387 -35.229 103 HZ2 LYS 25 1HZ LYS 25 -1.888 -10.528 -34.423 104 HZ3 LYS 25 2HZ LYS 25 -2.816 -10.993 -35.759 105 H TYR 26 H TYR 26 1.590 -13.483 -35.418 106 HA TYR 26 HA TYR 26 2.835 -15.132 -37.439 107 HB2 TYR 26 2HB TYR 26 3.041 -15.959 -35.227 108 HB3 TYR 26 3HB TYR 26 1.327 -15.735 -34.899 109 HD1 TYR 26 HD2 TYR 26 2.953 -17.350 -37.833 110 HD2 TYR 26 HD1 TYR 26 0.564 -17.871 -34.351 111 HE1 TYR 26 HE2 TYR 26 2.529 -19.684 -38.481 112 HE2 TYR 26 HE1 TYR 26 0.133 -20.207 -34.989 113 HH TYR 26 HH TYR 26 0.528 -21.817 -36.461 114 H ASP 27 H ASP 27 1.871 -15.983 -39.161 115 HA ASP 27 HA ASP 27 -1.075 -15.965 -39.263 116 HB2 ASP 27 2HB ASP 27 0.875 -14.804 -41.062 117 HB3 ASP 27 3HB ASP 27 -0.143 -15.969 -41.904 118 H CYS 28 H CYS 28 -1.498 -18.060 -38.754 119 HA CYS 28 HA CYS 28 -0.001 -20.292 -39.523 120 HB2 CYS 28 2HB CYS 28 -1.945 -21.619 -38.884 121 HB3 CYS 28 3HB CYS 28 -1.685 -20.324 -37.721 122 HG CYS 28 HG CYS 28 -4.386 -21.047 -39.397 123 H TYR 29 H TYR 29 -2.207 -18.354 -41.301 124 HA TYR 29 HA TYR 29 -3.255 -20.083 -43.174 125 HB2 TYR 29 2HB TYR 29 -3.029 -17.292 -42.876 126 HB3 TYR 29 3HB TYR 29 -2.399 -17.659 -44.478 127 HD1 TYR 29 HD1 TYR 29 -5.362 -17.887 -42.295 128 HD2 TYR 29 HD2 TYR 29 -3.846 -18.381 -46.239 129 HE1 TYR 29 HE1 TYR 29 -7.661 -18.058 -43.151 130 HE2 TYR 29 HE2 TYR 29 -6.141 -18.551 -47.106 131 HH TYR 29 HH TYR 29 -8.815 -19.050 -45.141 132 H LEU 30 H LEU 30 -0.143 -18.362 -43.339 133 HA LEU 30 HA LEU 30 0.740 -20.351 -45.326 134 HB2 LEU 30 2HB LEU 30 1.645 -17.484 -45.130 135 HB3 LEU 30 3HB LEU 30 2.128 -18.660 -46.350 136 HG LEU 30 HG LEU 30 -0.574 -17.367 -46.019 137 HD11 LEU 30 1HD1 LEU 30 1.022 -15.952 -47.122 138 HD12 LEU 30 2HD1 LEU 30 -0.103 -16.585 -48.322 139 HD13 LEU 30 3HD1 LEU 30 1.517 -17.268 -48.187 140 HD21 LEU 30 3HD2 LEU 30 -1.448 -19.212 -46.907 141 HD22 LEU 30 1HD2 LEU 30 0.144 -19.914 -47.195 142 HD23 LEU 30 2HD2 LEU 30 -0.563 -18.818 -48.382 143 H GLN 31 H GLN 31 0.987 -19.912 -42.261 144 HA GLN 31 HA GLN 31 2.544 -20.216 -40.625 145 HB2 GLN 31 2HB GLN 31 3.815 -21.756 -42.889 146 HB3 GLN 31 3HB GLN 31 4.398 -21.807 -41.231 147 HG2 GLN 31 2HG GLN 31 1.686 -22.680 -42.200 148 HG3 GLN 31 3HG GLN 31 3.014 -23.727 -41.700 149 HE21 GLN 31 1HE2 GLN 31 0.297 -23.512 -40.655 150 HE22 GLN 31 2HE2 GLN 31 0.459 -23.150 -38.974 151 H ARG 32 H ARG 32 2.775 -17.735 -41.635 152 HA ARG 32 HA ARG 32 5.690 -17.323 -41.775 153 HB2 ARG 32 2HB ARG 32 5.410 -15.510 -43.273 154 HB3 ARG 32 3HB ARG 32 4.412 -16.812 -43.906 155 HG2 ARG 32 2HG ARG 32 2.504 -15.670 -42.588 156 HG3 ARG 32 3HG ARG 32 3.578 -14.270 -42.580 157 HD2 ARG 32 2HD ARG 32 2.658 -15.756 -45.038 158 HD3 ARG 32 3HD ARG 32 1.993 -14.228 -44.462 159 HE ARG 32 HE ARG 32 4.482 -14.626 -45.859 160 HH11 ARG 32 1HH1 ARG 32 2.647 -12.528 -43.774 161 HH12 ARG 32 2HH1 ARG 32 3.529 -11.103 -44.214 162 HH21 ARG 32 1HH2 ARG 32 5.651 -12.758 -46.447 163 HH22 ARG 32 2HH2 ARG 32 5.237 -11.235 -45.735 164 H ALA 33 H ALA 33 6.474 -15.345 -40.825 165 HA ALA 33 HA ALA 33 4.642 -14.099 -38.894 166 HB1 ALA 33 3HB ALA 33 6.718 -15.884 -38.226 167 HB2 ALA 33 1HB ALA 33 7.251 -14.273 -37.744 168 HB3 ALA 33 2HB ALA 33 5.724 -14.916 -37.138 169 H THR 34 H THR 34 4.961 -11.943 -38.524 170 HA THR 34 HA THR 34 7.176 -10.660 -39.985 171 HB THR 34 HB THR 34 5.064 -8.793 -39.774 172 HG1 THR 34 HG1 THR 34 3.347 -9.863 -40.699 173 HG21 THR 34 1HG2 THR 34 6.925 -9.353 -41.573 174 HG22 THR 34 2HG2 THR 34 5.444 -8.504 -42.017 175 HG23 THR 34 3HG2 THR 34 5.596 -10.233 -42.325 176 H CYS 35 H CYS 35 8.538 -9.994 -38.442 177 HA CYS 35 HA CYS 35 7.964 -9.431 -35.796 178 HB2 CYS 35 2HB CYS 35 10.247 -9.715 -36.909 179 HB3 CYS 35 3HB CYS 35 10.129 -8.014 -37.345 180 HG CYS 35 HG CYS 35 11.046 -7.107 -35.132 181 H LYS 36 H LYS 36 7.086 -7.772 -34.728 182 HA LYS 36 HA LYS 36 6.177 -5.470 -36.282 183 HB2 LYS 36 2HB LYS 36 5.451 -6.426 -33.508 184 HB3 LYS 36 3HB LYS 36 4.784 -4.986 -34.268 185 HG2 LYS 36 2HG LYS 36 4.540 -7.739 -35.451 186 HG3 LYS 36 3HG LYS 36 3.340 -7.033 -34.365 187 HD2 LYS 36 2HD LYS 36 2.716 -5.412 -35.905 188 HD3 LYS 36 3HD LYS 36 4.228 -5.545 -36.807 189 HE2 LYS 36 2HE LYS 36 3.235 -6.944 -38.216 190 HE3 LYS 36 3HE LYS 36 2.991 -8.080 -36.890 191 HZ1 LYS 36 3HZ LYS 36 1.131 -5.875 -37.598 192 HZ2 LYS 36 1HZ LYS 36 0.889 -7.045 -36.400 193 HZ3 LYS 36 2HZ LYS 36 0.918 -7.497 -38.029 194 H ARG 37 H ARG 37 8.961 -5.675 -35.606 195 HA ARG 37 HA ARG 37 9.250 -3.491 -33.654 196 HB2 ARG 37 2HB ARG 37 10.439 -5.757 -33.319 197 HB3 ARG 37 3HB ARG 37 11.500 -5.236 -34.622 198 HG2 ARG 37 2HG ARG 37 12.635 -3.856 -33.291 199 HG3 ARG 37 3HG ARG 37 11.166 -3.220 -32.549 200 HD2 ARG 37 2HD ARG 37 11.090 -5.500 -31.325 201 HD3 ARG 37 3HD ARG 37 12.789 -5.617 -31.783 202 HE ARG 37 HE ARG 37 12.493 -3.141 -30.614 203 HH11 ARG 37 1HH1 ARG 37 12.017 -6.459 -29.673 204 HH12 ARG 37 2HH1 ARG 37 12.367 -6.171 -28.001 205 HH21 ARG 37 1HH2 ARG 37 12.955 -2.749 -28.415 206 HH22 ARG 37 2HH2 ARG 37 12.899 -4.061 -27.286 207 H GLU 38 H GLU 38 10.246 -1.615 -34.217 208 HA GLU 38 HA GLU 38 10.365 -0.932 -36.967 209 HB2 GLU 38 2HB GLU 38 10.081 0.509 -34.712 210 HB3 GLU 38 3HB GLU 38 11.795 0.771 -35.006 211 HG2 GLU 38 2HG GLU 38 11.314 1.648 -37.210 212 HG3 GLU 38 3HG GLU 38 9.597 1.318 -36.988 213 H GLY 39 H GLY 39 12.550 -2.522 -34.955 214 HA2 GLY 39 2HA GLY 39 14.910 -1.612 -36.426 215 HA3 GLY 39 3HA GLY 39 14.909 -2.647 -35.005 216 H CYS 40 H CYS 40 12.607 -4.089 -36.595 217 HA CYS 40 HA CYS 40 14.414 -5.680 -38.293 218 HB2 CYS 40 2HB CYS 40 12.677 -6.497 -36.077 219 HB3 CYS 40 3HB CYS 40 12.446 -7.449 -37.539 220 HG CYS 40 HG CYS 40 15.594 -7.380 -37.353 221 H GLY 41 H GLY 41 10.926 -5.934 -37.716 222 HA2 GLY 41 2HA GLY 41 9.176 -6.015 -39.209 223 HA3 GLY 41 3HA GLY 41 9.922 -4.572 -39.880 224 H PHE 42 H PHE 42 10.453 -8.099 -39.899 225 HA PHE 42 HA PHE 42 10.700 -7.951 -42.822 226 HB2 PHE 42 2HB PHE 42 12.606 -9.447 -42.808 227 HB3 PHE 42 3HB PHE 42 12.967 -8.045 -41.806 228 HD1 PHE 42 HD1 PHE 42 12.311 -8.374 -39.247 229 HD2 PHE 42 HD2 PHE 42 13.169 -11.510 -41.993 230 HE1 PHE 42 HE1 PHE 42 12.874 -9.860 -37.368 231 HE2 PHE 42 HE2 PHE 42 13.732 -13.002 -40.119 232 HZ PHE 42 HZ PHE 42 13.584 -12.178 -37.803 233 H ASP 43 H ASP 43 10.157 -9.875 -43.943 234 HA ASP 43 HA ASP 43 8.237 -11.519 -42.492 235 HB2 ASP 43 2HB ASP 43 7.440 -12.223 -44.654 236 HB3 ASP 43 3HB ASP 43 7.647 -10.474 -44.686 237 H TYR 44 H TYR 44 8.386 -13.708 -42.224 238 HA TYR 44 HA TYR 44 10.432 -15.273 -43.483 239 HB2 TYR 44 2HB TYR 44 11.541 -15.922 -41.329 240 HB3 TYR 44 3HB TYR 44 11.855 -14.265 -41.833 241 HD1 TYR 44 HD1 TYR 44 10.625 -12.392 -40.699 242 HD2 TYR 44 HD2 TYR 44 10.502 -16.393 -39.256 243 HE1 TYR 44 HE1 TYR 44 9.843 -11.574 -38.515 244 HE2 TYR 44 HE2 TYR 44 9.718 -15.586 -37.069 245 HH TYR 44 HH TYR 44 8.869 -13.794 -35.963 246 H CYS 45 H CYS 45 10.215 -17.517 -43.077 247 HA CYS 45 HA CYS 45 7.534 -18.311 -42.472 248 HB2 CYS 45 2HB CYS 45 9.855 -19.473 -43.734 249 HB3 CYS 45 3HB CYS 45 9.147 -20.611 -42.595 250 HG CYS 45 HG CYS 45 7.992 -19.551 -45.551 251 H THR 46 H THR 46 6.714 -19.134 -40.644 252 HA THR 46 HA THR 46 8.318 -19.066 -38.255 253 HB THR 46 HB THR 46 6.035 -18.279 -38.115 254 HG1 THR 46 HG1 THR 46 6.136 -20.767 -36.741 255 HG21 THR 46 1HG2 THR 46 4.555 -20.709 -38.222 256 HG22 THR 46 2HG2 THR 46 5.477 -20.556 -39.717 257 HG23 THR 46 3HG2 THR 46 4.378 -19.269 -39.223 258 H LYS 47 H LYS 47 7.944 -21.332 -40.613 259 HA LYS 47 HA LYS 47 7.827 -23.677 -38.921 260 HB2 LYS 47 2HB LYS 47 8.460 -23.523 -41.871 261 HB3 LYS 47 3HB LYS 47 7.960 -24.947 -40.969 262 HG2 LYS 47 2HG LYS 47 6.260 -22.497 -41.389 263 HG3 LYS 47 3HG LYS 47 6.159 -23.977 -42.346 264 HD2 LYS 47 2HD LYS 47 5.996 -24.302 -39.413 265 HD3 LYS 47 3HD LYS 47 4.629 -23.496 -40.186 266 HE2 LYS 47 2HE LYS 47 4.152 -25.356 -41.532 267 HE3 LYS 47 3HE LYS 47 5.731 -26.083 -41.237 268 HZ1 LYS 47 3HZ LYS 47 4.240 -25.687 -38.828 269 HZ2 LYS 47 1HZ LYS 47 4.984 -27.088 -39.416 270 HZ3 LYS 47 2HZ LYS 47 3.422 -26.683 -39.924 271 H CYS 48 H CYS 48 10.233 -22.167 -41.068 272 HA CYS 48 HA CYS 48 12.317 -23.726 -39.693 273 HB2 CYS 48 2HB CYS 48 13.718 -23.241 -41.702 274 HB3 CYS 48 3HB CYS 48 12.286 -24.200 -42.055 275 HG CYS 48 HG CYS 48 13.258 -21.654 -43.657 276 H LEU 49 H LEU 49 10.929 -20.811 -39.538 277 HA LEU 49 HA LEU 49 11.541 -18.725 -38.853 278 HB2 LEU 49 2HB LEU 49 13.558 -20.509 -37.541 279 HB3 LEU 49 3HB LEU 49 13.618 -18.762 -37.315 280 HG LEU 49 HG LEU 49 11.320 -20.567 -36.559 281 HD11 LEU 49 1HD1 LEU 49 13.677 -20.320 -35.248 282 HD12 LEU 49 2HD1 LEU 49 12.133 -20.666 -34.470 283 HD13 LEU 49 3HD1 LEU 49 12.745 -19.013 -34.517 284 HD21 LEU 49 3HD2 LEU 49 11.230 -17.992 -35.350 285 HD22 LEU 49 1HD2 LEU 49 10.058 -18.749 -36.428 286 HD23 LEU 49 2HD2 LEU 49 11.378 -17.789 -37.096 287 H CYS 50 H CYS 50 12.544 -19.609 -41.440 288 HA CYS 50 HA CYS 50 14.968 -17.941 -41.606 289 HB2 CYS 50 2HB CYS 50 14.523 -20.611 -42.509 290 HB3 CYS 50 3HB CYS 50 14.726 -19.582 -43.922 291 HG CYS 50 HG CYS 50 16.972 -20.454 -41.566 292 H ASN 51 H ASN 51 15.174 -17.468 -44.228 293 HA ASN 51 HA ASN 51 13.458 -15.370 -44.728 294 HB2 ASN 51 2HB ASN 51 15.223 -17.041 -46.473 295 HB3 ASN 51 3HB ASN 51 14.137 -15.877 -47.225 296 HD21 ASN 51 1HD2 ASN 51 15.943 -15.714 -44.189 297 HD22 ASN 51 2HD2 ASN 51 16.850 -14.303 -44.602 298 H TYR 52 H TYR 52 11.519 -15.098 -45.715 299 HA TYR 52 HA TYR 52 9.889 -17.466 -46.070 300 HB2 TYR 52 2HB TYR 52 8.988 -15.506 -44.881 301 HB3 TYR 52 3HB TYR 52 9.170 -14.539 -46.340 302 HD1 TYR 52 HD1 TYR 52 7.362 -17.431 -44.890 303 HD2 TYR 52 HD2 TYR 52 7.510 -14.553 -48.020 304 HE1 TYR 52 HE1 TYR 52 5.108 -18.105 -45.608 305 HE2 TYR 52 HE2 TYR 52 5.257 -15.218 -48.746 306 HH TYR 52 HH TYR 52 3.762 -18.028 -47.758 307 H HIS 53 H HIS 53 8.856 -18.083 -47.964 308 HA HIS 53 HA HIS 53 10.279 -17.817 -50.350 309 HB2 HIS 53 2HB HIS 53 7.376 -18.588 -49.990 310 HB3 HIS 53 3HB HIS 53 8.349 -18.897 -51.424 311 HD1 HIS 53 HD1 HIS 53 9.553 -21.071 -51.483 312 HD2 HIS 53 HD2 HIS 53 8.389 -20.030 -47.633 313 HE1 HIS 53 HE1 HIS 53 10.124 -23.056 -50.048 314 H THR 54 H THR 54 10.562 -15.999 -51.455 315 HA THR 54 HA THR 54 8.212 -14.301 -51.970 316 HB THR 54 HB THR 54 9.705 -12.316 -51.947 317 HG1 THR 54 HG1 THR 54 11.789 -12.591 -51.733 318 HG21 THR 54 1HG2 THR 54 8.532 -13.593 -49.818 319 HG22 THR 54 2HG2 THR 54 9.217 -11.968 -49.783 320 HG23 THR 54 3HG2 THR 54 10.183 -13.344 -49.252 321 H THR 55 H THR 55 9.047 -12.574 -53.761 322 HA THR 55 HA THR 55 9.126 -13.915 -56.169 323 HB THR 55 HB THR 55 8.520 -11.588 -56.115 324 HG1 THR 55 HG1 THR 55 9.331 -11.323 -58.052 325 HG21 THR 55 1HG2 THR 55 11.383 -11.056 -55.312 326 HG22 THR 55 2HG2 THR 55 9.957 -10.840 -54.298 327 HG23 THR 55 3HG2 THR 55 10.192 -9.822 -55.718 328 H LYS 56 H LYS 56 11.760 -13.048 -54.057 329 HA LYS 56 HA LYS 56 13.817 -13.566 -56.003 330 HB2 LYS 56 2HB LYS 56 14.275 -11.966 -54.258 331 HB3 LYS 56 3HB LYS 56 13.907 -13.151 -53.011 332 HG2 LYS 56 2HG LYS 56 15.909 -14.220 -53.237 333 HG3 LYS 56 3HG LYS 56 16.082 -13.773 -54.936 334 HD2 LYS 56 2HD LYS 56 17.712 -12.586 -53.581 335 HD3 LYS 56 3HD LYS 56 16.542 -11.453 -54.261 336 HE2 LYS 56 2HE LYS 56 16.987 -10.915 -51.937 337 HE3 LYS 56 3HE LYS 56 15.321 -11.456 -52.132 338 HZ1 LYS 56 3HZ LYS 56 15.667 -13.143 -50.751 339 HZ2 LYS 56 1HZ LYS 56 17.149 -12.433 -50.347 340 HZ3 LYS 56 2HZ LYS 56 17.081 -13.623 -51.547 341 H ASP 57 H ASP 57 13.425 -15.073 -52.807 342 HA ASP 57 HA ASP 57 13.017 -17.695 -53.673 343 HB2 ASP 57 2HB ASP 57 15.650 -16.841 -54.172 344 HB3 ASP 57 3HB ASP 57 15.746 -17.879 -52.752 345 H CYS 58 H CYS 58 13.834 -19.311 -51.879 346 HA CYS 58 HA CYS 58 13.250 -18.029 -49.295 347 HB2 CYS 58 2HB CYS 58 11.536 -19.616 -49.947 348 HB3 CYS 58 3HB CYS 58 12.747 -20.860 -50.229 349 HG CYS 58 HG CYS 58 13.293 -21.412 -47.657 Start of MODEL 2 1 H SER 13 H SER 13 -0.712 -14.938 -28.863 2 HA SER 13 HA SER 13 -0.793 -16.794 -31.076 3 HB2 SER 13 2HB SER 13 -1.662 -14.262 -31.950 4 HB3 SER 13 3HB SER 13 -2.667 -15.635 -31.484 5 HG SER 13 HG SER 13 -3.103 -13.687 -30.292 6 H LEU 14 H LEU 14 1.333 -14.416 -29.951 7 HA LEU 14 HA LEU 14 2.404 -13.781 -32.583 8 HB2 LEU 14 2HB LEU 14 2.915 -12.804 -29.804 9 HB3 LEU 14 3HB LEU 14 4.092 -12.497 -31.079 10 HG LEU 14 HG LEU 14 2.632 -10.578 -30.735 11 HD11 LEU 14 1HD1 LEU 14 2.070 -11.973 -33.348 12 HD12 LEU 14 2HD1 LEU 14 3.519 -11.040 -32.975 13 HD13 LEU 14 3HD1 LEU 14 1.947 -10.242 -33.037 14 HD21 LEU 14 3HD2 LEU 14 0.288 -10.645 -31.060 15 HD22 LEU 14 1HD2 LEU 14 0.674 -11.971 -29.962 16 HD23 LEU 14 2HD2 LEU 14 0.346 -12.302 -31.663 17 H LYS 15 H LYS 15 4.758 -13.966 -32.950 18 HA LYS 15 HA LYS 15 5.748 -16.514 -31.873 19 HB2 LYS 15 2HB LYS 15 6.750 -15.075 -34.328 20 HB3 LYS 15 3HB LYS 15 7.051 -16.744 -33.863 21 HG2 LYS 15 2HG LYS 15 4.429 -15.566 -34.756 22 HG3 LYS 15 3HG LYS 15 5.456 -16.684 -35.657 23 HD2 LYS 15 2HD LYS 15 4.083 -17.277 -33.036 24 HD3 LYS 15 3HD LYS 15 3.552 -17.834 -34.625 25 HE2 LYS 15 2HE LYS 15 6.066 -18.728 -34.685 26 HE3 LYS 15 3HE LYS 15 5.815 -18.745 -32.940 27 HZ1 LYS 15 3HZ LYS 15 3.583 -19.916 -33.736 28 HZ2 LYS 15 1HZ LYS 15 5.002 -20.780 -33.415 29 HZ3 LYS 15 2HZ LYS 15 4.593 -20.389 -35.009 30 H ALA 16 H ALA 16 8.359 -16.469 -32.251 31 HA ALA 16 HA ALA 16 9.324 -14.105 -30.776 32 HB1 ALA 16 3HB ALA 16 11.046 -15.752 -29.824 33 HB2 ALA 16 1HB ALA 16 9.401 -15.815 -29.193 34 HB3 ALA 16 2HB ALA 16 9.940 -17.011 -30.373 35 H CYS 17 H CYS 17 10.431 -12.931 -32.216 36 HA CYS 17 HA CYS 17 11.615 -13.764 -34.559 37 HB2 CYS 17 2HB CYS 17 11.228 -11.380 -33.720 38 HB3 CYS 17 3HB CYS 17 12.757 -11.546 -32.865 39 HG CYS 17 HG CYS 17 13.110 -12.411 -36.034 40 H ILE 18 H ILE 18 13.805 -14.131 -35.174 41 HA ILE 18 HA ILE 18 15.226 -15.770 -33.271 42 HB ILE 18 HB ILE 18 16.774 -16.238 -35.122 43 HG12 ILE 18 2HG1 ILE 18 15.042 -14.299 -36.672 44 HG13 ILE 18 3HG1 ILE 18 16.719 -14.039 -36.206 45 HG21 ILE 18 1HG2 ILE 18 13.879 -16.423 -35.949 46 HG22 ILE 18 2HG2 ILE 18 15.206 -17.416 -36.553 47 HG23 ILE 18 3HG2 ILE 18 14.709 -17.541 -34.866 48 HD11 ILE 18 3HD1 ILE 18 15.747 -16.206 -38.052 49 HD12 ILE 18 1HD1 ILE 18 16.484 -14.685 -38.554 50 HD13 ILE 18 2HD1 ILE 18 17.425 -15.860 -37.632 51 H ARG 19 H ARG 19 15.098 -12.554 -33.647 52 HA ARG 19 HA ARG 19 17.967 -12.076 -33.309 53 HB2 ARG 19 2HB ARG 19 15.702 -10.096 -33.610 54 HB3 ARG 19 3HB ARG 19 17.417 -9.707 -33.580 55 HG2 ARG 19 2HG ARG 19 17.409 -11.459 -35.599 56 HG3 ARG 19 3HG ARG 19 15.764 -10.838 -35.746 57 HD2 ARG 19 2HD ARG 19 16.858 -9.316 -37.045 58 HD3 ARG 19 3HD ARG 19 17.000 -8.518 -35.479 59 HE ARG 19 HE ARG 19 19.224 -10.159 -35.776 60 HH11 ARG 19 1HH1 ARG 19 17.832 -7.361 -37.310 61 HH12 ARG 19 2HH1 ARG 19 19.357 -6.725 -37.830 62 HH21 ARG 19 1HH2 ARG 19 21.238 -9.333 -36.455 63 HH22 ARG 19 2HH2 ARG 19 21.294 -7.849 -37.344 64 H CYS 20 H CYS 20 15.055 -10.655 -31.822 65 HA CYS 20 HA CYS 20 16.345 -10.989 -29.196 66 HB2 CYS 20 2HB CYS 20 15.148 -8.834 -28.561 67 HB3 CYS 20 3HB CYS 20 16.522 -8.671 -29.648 68 HG CYS 20 HG CYS 20 13.340 -7.844 -30.117 69 H ASN 21 H ASN 21 14.227 -12.489 -30.771 70 HA ASN 21 HA ASN 21 12.222 -13.515 -30.420 71 HB2 ASN 21 2HB ASN 21 12.582 -13.017 -27.479 72 HB3 ASN 21 3HB ASN 21 11.925 -14.436 -28.289 73 HD21 ASN 21 1HD2 ASN 21 13.315 -15.967 -29.137 74 HD22 ASN 21 2HD2 ASN 21 14.996 -16.014 -28.737 75 H SER 22 H SER 22 11.373 -11.409 -31.371 76 HA SER 22 HA SER 22 9.752 -9.920 -29.426 77 HB2 SER 22 2HB SER 22 10.512 -8.160 -30.598 78 HB3 SER 22 3HB SER 22 11.145 -9.199 -31.875 79 HG SER 22 HG SER 22 9.126 -9.199 -32.838 80 HA PRO 23 HA PRO 23 5.944 -11.594 -30.814 81 HB2 PRO 23 2HB PRO 23 4.315 -9.422 -30.834 82 HB3 PRO 23 3HB PRO 23 4.890 -10.178 -29.343 83 HG2 PRO 23 2HG PRO 23 5.915 -7.742 -30.751 84 HG3 PRO 23 3HG PRO 23 5.652 -8.005 -29.017 85 HD2 PRO 23 2HD PRO 23 8.101 -8.171 -30.160 86 HD3 PRO 23 3HD PRO 23 7.630 -9.161 -28.764 87 H ALA 24 H ALA 24 6.234 -12.284 -32.913 88 HA ALA 24 HA ALA 24 5.926 -10.322 -35.070 89 HB1 ALA 24 3HB ALA 24 6.777 -12.042 -36.551 90 HB2 ALA 24 1HB ALA 24 7.862 -11.834 -35.176 91 HB3 ALA 24 2HB ALA 24 6.765 -13.215 -35.233 92 H LYS 25 H LYS 25 4.114 -10.182 -36.229 93 HA LYS 25 HA LYS 25 1.737 -11.415 -35.515 94 HB2 LYS 25 2HB LYS 25 1.725 -9.386 -36.811 95 HB3 LYS 25 3HB LYS 25 2.565 -10.172 -38.141 96 HG2 LYS 25 2HG LYS 25 0.190 -9.863 -38.613 97 HG3 LYS 25 3HG LYS 25 0.632 -11.572 -38.570 98 HD2 LYS 25 2HD LYS 25 -1.477 -11.201 -37.413 99 HD3 LYS 25 3HD LYS 25 -0.231 -11.727 -36.278 100 HE2 LYS 25 2HE LYS 25 -1.538 -9.916 -35.326 101 HE3 LYS 25 3HE LYS 25 0.122 -9.395 -35.604 102 HZ1 LYS 25 3HZ LYS 25 -0.553 -7.825 -37.005 103 HZ2 LYS 25 1HZ LYS 25 -2.125 -8.106 -36.445 104 HZ3 LYS 25 2HZ LYS 25 -1.576 -8.878 -37.846 105 H TYR 26 H TYR 26 1.480 -13.563 -35.465 106 HA TYR 26 HA TYR 26 2.666 -15.283 -37.451 107 HB2 TYR 26 2HB TYR 26 2.597 -16.153 -35.235 108 HB3 TYR 26 3HB TYR 26 0.882 -15.794 -35.071 109 HD1 TYR 26 HD1 TYR 26 2.753 -17.520 -37.799 110 HD2 TYR 26 HD2 TYR 26 -0.197 -17.822 -34.749 111 HE1 TYR 26 HE1 TYR 26 2.210 -19.796 -38.558 112 HE2 TYR 26 HE2 TYR 26 -0.748 -20.098 -35.499 113 HH TYR 26 HH TYR 26 0.968 -21.601 -38.224 114 H ASP 27 H ASP 27 1.746 -16.031 -39.248 115 HA ASP 27 HA ASP 27 -1.162 -15.682 -39.575 116 HB2 ASP 27 2HB ASP 27 1.033 -14.694 -41.194 117 HB3 ASP 27 3HB ASP 27 -0.052 -15.710 -42.140 118 H CYS 28 H CYS 28 -1.560 -17.821 -38.918 119 HA CYS 28 HA CYS 28 -0.309 -20.122 -39.781 120 HB2 CYS 28 2HB CYS 28 -1.958 -20.207 -38.026 121 HB3 CYS 28 3HB CYS 28 -3.221 -19.655 -39.120 122 HG CYS 28 HG CYS 28 -1.729 -22.720 -39.026 123 H TYR 29 H TYR 29 -2.500 -18.050 -41.500 124 HA TYR 29 HA TYR 29 -3.518 -19.688 -43.460 125 HB2 TYR 29 2HB TYR 29 -3.302 -16.916 -43.038 126 HB3 TYR 29 3HB TYR 29 -2.646 -17.206 -44.645 127 HD1 TYR 29 HD2 TYR 29 -5.640 -17.604 -42.519 128 HD2 TYR 29 HD1 TYR 29 -4.062 -17.783 -46.466 129 HE1 TYR 29 HE2 TYR 29 -7.925 -17.739 -43.420 130 HE2 TYR 29 HE1 TYR 29 -6.343 -17.919 -47.377 131 HH TYR 29 HH TYR 29 -8.626 -18.688 -46.520 132 H LEU 30 H LEU 30 -0.358 -18.071 -43.419 133 HA LEU 30 HA LEU 30 0.502 -19.893 -45.569 134 HB2 LEU 30 2HB LEU 30 1.530 -17.106 -45.075 135 HB3 LEU 30 3HB LEU 30 1.978 -18.178 -46.399 136 HG LEU 30 HG LEU 30 -0.638 -16.748 -45.983 137 HD11 LEU 30 1HD1 LEU 30 1.587 -15.827 -47.145 138 HD12 LEU 30 2HD1 LEU 30 -0.034 -15.406 -47.699 139 HD13 LEU 30 3HD1 LEU 30 0.876 -16.676 -48.519 140 HD21 LEU 30 3HD2 LEU 30 -0.085 -19.243 -47.376 141 HD22 LEU 30 1HD2 LEU 30 -0.781 -18.008 -48.424 142 HD23 LEU 30 2HD2 LEU 30 -1.627 -18.496 -46.955 143 H GLN 31 H GLN 31 0.674 -19.741 -42.465 144 HA GLN 31 HA GLN 31 2.179 -20.223 -40.819 145 HB2 GLN 31 2HB GLN 31 3.298 -21.736 -43.173 146 HB3 GLN 31 3HB GLN 31 3.973 -21.878 -41.555 147 HG2 GLN 31 2HG GLN 31 2.550 -23.630 -41.486 148 HG3 GLN 31 3HG GLN 31 1.439 -22.370 -40.954 149 HE21 GLN 31 1HE2 GLN 31 -0.386 -23.387 -41.697 150 HE22 GLN 31 2HE2 GLN 31 -0.741 -23.578 -43.376 151 H ARG 32 H ARG 32 2.614 -17.715 -41.614 152 HA ARG 32 HA ARG 32 5.551 -17.510 -41.665 153 HB2 ARG 32 2HB ARG 32 5.230 -15.339 -42.906 154 HB3 ARG 32 3HB ARG 32 4.843 -16.790 -43.822 155 HG2 ARG 32 2HG ARG 32 2.875 -15.899 -44.292 156 HG3 ARG 32 3HG ARG 32 2.457 -16.015 -42.581 157 HD2 ARG 32 2HD ARG 32 2.123 -13.749 -43.314 158 HD3 ARG 32 3HD ARG 32 3.509 -13.800 -42.224 159 HE ARG 32 HE ARG 32 4.674 -14.013 -44.633 160 HH11 ARG 32 1HH1 ARG 32 2.282 -11.817 -43.380 161 HH12 ARG 32 2HH1 ARG 32 2.772 -10.499 -44.392 162 HH21 ARG 32 1HH2 ARG 32 5.329 -12.286 -45.972 163 HH22 ARG 32 2HH2 ARG 32 4.505 -10.768 -45.867 164 H ALA 33 H ALA 33 6.394 -15.523 -40.690 165 HA ALA 33 HA ALA 33 4.577 -14.253 -38.769 166 HB1 ALA 33 3HB ALA 33 7.105 -14.620 -37.504 167 HB2 ALA 33 1HB ALA 33 5.518 -15.205 -37.002 168 HB3 ALA 33 2HB ALA 33 6.519 -16.182 -38.076 169 H THR 34 H THR 34 4.854 -12.113 -38.604 170 HA THR 34 HA THR 34 7.272 -10.945 -39.823 171 HB THR 34 HB THR 34 5.161 -9.019 -39.659 172 HG1 THR 34 HG1 THR 34 4.469 -11.350 -41.143 173 HG21 THR 34 1HG2 THR 34 5.701 -8.622 -41.888 174 HG22 THR 34 2HG2 THR 34 6.121 -10.309 -42.190 175 HG23 THR 34 3HG2 THR 34 7.199 -9.287 -41.239 176 H CYS 35 H CYS 35 8.587 -10.065 -38.379 177 HA CYS 35 HA CYS 35 8.059 -9.670 -35.694 178 HB2 CYS 35 2HB CYS 35 10.325 -9.737 -36.710 179 HB3 CYS 35 3HB CYS 35 10.049 -8.129 -37.369 180 HG CYS 35 HG CYS 35 10.649 -9.044 -34.160 181 H LYS 36 H LYS 36 7.157 -8.101 -34.495 182 HA LYS 36 HA LYS 36 5.945 -5.852 -35.921 183 HB2 LYS 36 2HB LYS 36 5.451 -6.939 -33.144 184 HB3 LYS 36 3HB LYS 36 4.602 -5.569 -33.849 185 HG2 LYS 36 2HG LYS 36 4.602 -8.248 -35.188 186 HG3 LYS 36 3HG LYS 36 3.465 -7.864 -33.893 187 HD2 LYS 36 2HD LYS 36 2.217 -7.215 -35.692 188 HD3 LYS 36 3HD LYS 36 3.074 -5.704 -35.377 189 HE2 LYS 36 2HE LYS 36 4.313 -5.862 -37.260 190 HE3 LYS 36 3HE LYS 36 4.448 -7.617 -37.150 191 HZ1 LYS 36 3HZ LYS 36 2.034 -6.140 -38.052 192 HZ2 LYS 36 1HZ LYS 36 2.205 -7.822 -37.989 193 HZ3 LYS 36 2HZ LYS 36 3.140 -6.918 -39.069 194 H ARG 37 H ARG 37 8.789 -5.897 -35.302 195 HA ARG 37 HA ARG 37 8.959 -3.710 -33.339 196 HB2 ARG 37 2HB ARG 37 10.304 -5.840 -32.974 197 HB3 ARG 37 3HB ARG 37 11.261 -5.362 -34.369 198 HG2 ARG 37 2HG ARG 37 12.435 -3.888 -33.186 199 HG3 ARG 37 3HG ARG 37 10.990 -3.228 -32.419 200 HD2 ARG 37 2HD ARG 37 11.059 -5.485 -31.082 201 HD3 ARG 37 3HD ARG 37 12.761 -5.460 -31.542 202 HE ARG 37 HE ARG 37 11.458 -3.764 -29.621 203 HH11 ARG 37 1HH1 ARG 37 14.163 -4.091 -31.787 204 HH12 ARG 37 2HH1 ARG 37 15.163 -2.978 -30.916 205 HH21 ARG 37 1HH2 ARG 37 12.765 -2.296 -28.464 206 HH22 ARG 37 2HH2 ARG 37 14.368 -1.957 -29.025 207 H GLU 38 H GLU 38 9.482 -1.730 -34.010 208 HA GLU 38 HA GLU 38 9.574 -1.009 -36.692 209 HB2 GLU 38 2HB GLU 38 10.599 0.440 -34.249 210 HB3 GLU 38 3HB GLU 38 10.520 1.169 -35.846 211 HG2 GLU 38 2HG GLU 38 8.288 1.441 -35.764 212 HG3 GLU 38 3HG GLU 38 8.028 -0.060 -34.877 213 H GLY 39 H GLY 39 12.085 -2.163 -34.609 214 HA2 GLY 39 2HA GLY 39 14.263 -1.195 -36.225 215 HA3 GLY 39 3HA GLY 39 14.379 -2.325 -34.884 216 H CYS 40 H CYS 40 12.236 -3.998 -36.218 217 HA CYS 40 HA CYS 40 14.014 -5.284 -38.183 218 HB2 CYS 40 2HB CYS 40 12.465 -6.329 -35.937 219 HB3 CYS 40 3HB CYS 40 12.160 -7.199 -37.436 220 HG CYS 40 HG CYS 40 15.205 -7.221 -37.674 221 H GLY 41 H GLY 41 10.569 -5.767 -37.484 222 HA2 GLY 41 2HA GLY 41 8.763 -5.868 -38.906 223 HA3 GLY 41 3HA GLY 41 9.415 -4.370 -39.554 224 H PHE 42 H PHE 42 10.109 -7.865 -39.719 225 HA PHE 42 HA PHE 42 10.221 -7.609 -42.643 226 HB2 PHE 42 2HB PHE 42 12.197 -9.001 -42.764 227 HB3 PHE 42 3HB PHE 42 12.532 -7.625 -41.718 228 HD1 PHE 42 HD2 PHE 42 11.983 -8.098 -39.150 229 HD2 PHE 42 HD1 PHE 42 12.908 -11.059 -42.063 230 HE1 PHE 42 HE2 PHE 42 12.694 -9.631 -37.361 231 HE2 PHE 42 HE1 PHE 42 13.618 -12.598 -40.281 232 HZ PHE 42 HZ PHE 42 13.513 -11.885 -37.925 233 H ASP 43 H ASP 43 9.539 -9.401 -43.804 234 HA ASP 43 HA ASP 43 7.871 -11.250 -42.304 235 HB2 ASP 43 2HB ASP 43 8.171 -11.230 -45.296 236 HB3 ASP 43 3HB ASP 43 6.785 -11.730 -44.332 237 H TYR 44 H TYR 44 8.127 -13.447 -42.222 238 HA TYR 44 HA TYR 44 10.068 -14.848 -43.778 239 HB2 TYR 44 2HB TYR 44 11.520 -15.517 -41.873 240 HB3 TYR 44 3HB TYR 44 11.633 -13.802 -42.254 241 HD1 TYR 44 HD2 TYR 44 10.338 -12.165 -40.806 242 HD2 TYR 44 HD1 TYR 44 10.924 -16.236 -39.716 243 HE1 TYR 44 HE2 TYR 44 9.817 -11.609 -38.467 244 HE2 TYR 44 HE1 TYR 44 10.405 -15.690 -37.376 245 HH TYR 44 HH TYR 44 10.071 -12.410 -36.283 246 H CYS 45 H CYS 45 10.156 -17.147 -43.235 247 HA CYS 45 HA CYS 45 7.601 -18.198 -42.695 248 HB2 CYS 45 2HB CYS 45 9.958 -19.162 -43.783 249 HB3 CYS 45 3HB CYS 45 9.788 -20.095 -42.301 250 HG CYS 45 HG CYS 45 8.073 -20.300 -45.152 251 H THR 46 H THR 46 6.648 -18.906 -40.880 252 HA THR 46 HA THR 46 7.952 -18.364 -38.353 253 HB THR 46 HB THR 46 5.550 -17.786 -38.770 254 HG1 THR 46 HG1 THR 46 4.874 -18.806 -36.683 255 HG21 THR 46 1HG2 THR 46 5.365 -20.361 -39.730 256 HG22 THR 46 2HG2 THR 46 4.005 -19.311 -39.335 257 HG23 THR 46 3HG2 THR 46 4.596 -20.474 -38.148 258 H LYS 47 H LYS 47 7.629 -21.019 -40.413 259 HA LYS 47 HA LYS 47 7.877 -22.976 -38.251 260 HB2 LYS 47 2HB LYS 47 7.749 -23.557 -41.207 261 HB3 LYS 47 3HB LYS 47 7.423 -24.657 -39.874 262 HG2 LYS 47 2HG LYS 47 5.753 -22.246 -40.549 263 HG3 LYS 47 3HG LYS 47 5.388 -23.900 -41.045 264 HD2 LYS 47 2HD LYS 47 5.850 -23.320 -38.155 265 HD3 LYS 47 3HD LYS 47 4.306 -22.871 -38.883 266 HE2 LYS 47 2HE LYS 47 3.884 -25.134 -39.538 267 HE3 LYS 47 3HE LYS 47 5.509 -25.628 -39.063 268 HZ1 LYS 47 3HZ LYS 47 4.756 -24.762 -36.756 269 HZ2 LYS 47 1HZ LYS 47 4.260 -26.293 -37.274 270 HZ3 LYS 47 2HZ LYS 47 3.195 -24.983 -37.367 271 H CYS 48 H CYS 48 9.636 -21.684 -41.019 272 HA CYS 48 HA CYS 48 11.957 -23.334 -40.344 273 HB2 CYS 48 2HB CYS 48 11.434 -21.540 -42.723 274 HB3 CYS 48 3HB CYS 48 12.891 -22.496 -42.485 275 HG CYS 48 HG CYS 48 10.036 -24.254 -42.355 276 H LEU 49 H LEU 49 10.719 -20.204 -39.892 277 HA LEU 49 HA LEU 49 11.557 -18.296 -38.987 278 HB2 LEU 49 2HB LEU 49 13.697 -20.196 -38.042 279 HB3 LEU 49 3HB LEU 49 13.507 -18.538 -37.475 280 HG LEU 49 HG LEU 49 11.623 -20.849 -37.033 281 HD11 LEU 49 1HD1 LEU 49 13.859 -20.185 -35.650 282 HD12 LEU 49 2HD1 LEU 49 12.457 -20.997 -34.956 283 HD13 LEU 49 3HD1 LEU 49 12.635 -19.251 -34.791 284 HD21 LEU 49 3HD2 LEU 49 11.295 -17.952 -36.257 285 HD22 LEU 49 1HD2 LEU 49 10.238 -19.280 -35.773 286 HD23 LEU 49 2HD2 LEU 49 10.348 -18.814 -37.472 287 H CYS 50 H CYS 50 12.458 -19.262 -41.690 288 HA CYS 50 HA CYS 50 14.848 -17.555 -41.908 289 HB2 CYS 50 2HB CYS 50 15.682 -18.937 -43.683 290 HB3 CYS 50 3HB CYS 50 15.282 -19.990 -42.333 291 HG CYS 50 HG CYS 50 12.698 -19.696 -44.370 292 H ASN 51 H ASN 51 15.074 -17.122 -44.508 293 HA ASN 51 HA ASN 51 13.266 -15.142 -45.115 294 HB2 ASN 51 2HB ASN 51 15.213 -16.734 -46.701 295 HB3 ASN 51 3HB ASN 51 14.020 -15.799 -47.599 296 HD21 ASN 51 1HD2 ASN 51 16.445 -15.539 -45.047 297 HD22 ASN 51 2HD2 ASN 51 16.883 -13.903 -45.387 298 H TYR 52 H TYR 52 11.269 -15.040 -45.943 299 HA TYR 52 HA TYR 52 9.766 -17.460 -46.274 300 HB2 TYR 52 2HB TYR 52 8.797 -15.412 -45.269 301 HB3 TYR 52 3HB TYR 52 8.941 -14.600 -46.824 302 HD1 TYR 52 HD1 TYR 52 7.183 -17.268 -44.985 303 HD2 TYR 52 HD2 TYR 52 7.364 -14.996 -48.577 304 HE1 TYR 52 HE1 TYR 52 4.963 -18.114 -45.625 305 HE2 TYR 52 HE2 TYR 52 5.145 -15.833 -49.227 306 HH TYR 52 HH TYR 52 3.278 -16.892 -48.457 307 H HIS 53 H HIS 53 8.609 -18.094 -48.161 308 HA HIS 53 HA HIS 53 10.156 -17.918 -50.547 309 HB2 HIS 53 2HB HIS 53 7.356 -19.012 -50.218 310 HB3 HIS 53 3HB HIS 53 8.477 -19.364 -51.530 311 HD1 HIS 53 HD1 HIS 53 9.821 -21.425 -51.251 312 HD2 HIS 53 HD2 HIS 53 8.402 -19.997 -47.618 313 HE1 HIS 53 HE1 HIS 53 10.501 -23.141 -49.544 314 H THR 54 H THR 54 10.167 -15.629 -50.915 315 HA THR 54 HA THR 54 8.150 -14.796 -52.750 316 HB THR 54 HB THR 54 6.995 -14.321 -50.596 317 HG1 THR 54 HG1 THR 54 6.755 -11.950 -51.164 318 HG21 THR 54 1HG2 THR 54 9.434 -13.528 -49.684 319 HG22 THR 54 2HG2 THR 54 7.899 -13.104 -48.927 320 HG23 THR 54 3HG2 THR 54 8.675 -11.976 -50.037 321 H THR 55 H THR 55 11.075 -15.092 -52.493 322 HA THR 55 HA THR 55 11.792 -12.441 -53.504 323 HB THR 55 HB THR 55 13.722 -13.854 -51.691 324 HG1 THR 55 HG1 THR 55 12.791 -13.003 -49.942 325 HG21 THR 55 1HG2 THR 55 13.735 -11.481 -53.243 326 HG22 THR 55 2HG2 THR 55 14.997 -12.093 -52.174 327 HG23 THR 55 3HG2 THR 55 13.758 -11.007 -51.546 328 H LYS 56 H LYS 56 11.288 -15.097 -54.695 329 HA LYS 56 HA LYS 56 12.121 -16.371 -56.386 330 HB2 LYS 56 2HB LYS 56 13.690 -13.905 -56.486 331 HB3 LYS 56 3HB LYS 56 14.549 -15.291 -57.142 332 HG2 LYS 56 2HG LYS 56 11.788 -15.094 -58.062 333 HG3 LYS 56 3HG LYS 56 12.791 -13.712 -58.511 334 HD2 LYS 56 2HD LYS 56 13.475 -14.975 -60.226 335 HD3 LYS 56 3HD LYS 56 14.433 -15.855 -59.033 336 HE2 LYS 56 2HE LYS 56 13.141 -17.405 -60.375 337 HE3 LYS 56 3HE LYS 56 12.563 -17.416 -58.709 338 HZ1 LYS 56 3HZ LYS 56 10.684 -16.134 -59.311 339 HZ2 LYS 56 1HZ LYS 56 10.794 -17.377 -60.452 340 HZ3 LYS 56 2HZ LYS 56 11.293 -15.813 -60.856 341 H ASP 57 H ASP 57 13.173 -16.439 -53.457 342 HA ASP 57 HA ASP 57 14.626 -18.814 -53.668 343 HB2 ASP 57 2HB ASP 57 16.491 -17.634 -54.532 344 HB3 ASP 57 3HB ASP 57 16.297 -16.323 -53.371 345 H CYS 58 H CYS 58 14.064 -19.794 -51.850 346 HA CYS 58 HA CYS 58 13.270 -18.284 -49.529 347 HB2 CYS 58 2HB CYS 58 11.965 -20.226 -50.078 348 HB3 CYS 58 3HB CYS 58 13.397 -21.249 -50.093 349 HG CYS 58 HG CYS 58 12.346 -22.088 -47.809 Start of MODEL 3 1 H SER 13 H SER 13 -0.187 -17.217 -29.195 2 HA SER 13 HA SER 13 -0.563 -17.815 -31.884 3 HB2 SER 13 2HB SER 13 -0.996 -15.380 -30.208 4 HB3 SER 13 3HB SER 13 -1.131 -15.228 -31.960 5 HG SER 13 HG SER 13 -3.133 -15.754 -30.965 6 H LEU 14 H LEU 14 1.089 -14.838 -30.870 7 HA LEU 14 HA LEU 14 2.465 -14.503 -33.288 8 HB2 LEU 14 2HB LEU 14 2.756 -13.372 -30.541 9 HB3 LEU 14 3HB LEU 14 3.989 -13.035 -31.753 10 HG LEU 14 HG LEU 14 2.235 -12.050 -33.201 11 HD11 LEU 14 1HD1 LEU 14 0.521 -12.814 -30.877 12 HD12 LEU 14 2HD1 LEU 14 0.220 -13.003 -32.604 13 HD13 LEU 14 3HD1 LEU 14 0.109 -11.409 -31.859 14 HD21 LEU 14 3HD2 LEU 14 1.828 -10.040 -31.703 15 HD22 LEU 14 1HD2 LEU 14 3.509 -10.510 -31.956 16 HD23 LEU 14 2HD2 LEU 14 2.694 -10.929 -30.448 17 H LYS 15 H LYS 15 4.877 -14.425 -33.496 18 HA LYS 15 HA LYS 15 6.043 -16.842 -32.286 19 HB2 LYS 15 2HB LYS 15 7.013 -15.485 -34.795 20 HB3 LYS 15 3HB LYS 15 7.375 -17.110 -34.233 21 HG2 LYS 15 2HG LYS 15 4.744 -16.103 -35.288 22 HG3 LYS 15 3HG LYS 15 5.844 -17.242 -36.068 23 HD2 LYS 15 2HD LYS 15 4.367 -17.696 -33.475 24 HD3 LYS 15 3HD LYS 15 3.952 -18.399 -35.040 25 HE2 LYS 15 2HE LYS 15 6.599 -19.066 -34.761 26 HE3 LYS 15 3HE LYS 15 5.998 -19.183 -33.108 27 HZ1 LYS 15 3HZ LYS 15 4.429 -20.416 -35.255 28 HZ2 LYS 15 1HZ LYS 15 4.596 -20.883 -33.637 29 HZ3 LYS 15 2HZ LYS 15 5.838 -21.198 -34.742 30 H ALA 16 H ALA 16 8.461 -16.771 -32.059 31 HA ALA 16 HA ALA 16 9.221 -14.196 -30.872 32 HB1 ALA 16 3HB ALA 16 9.325 -16.688 -29.798 33 HB2 ALA 16 1HB ALA 16 10.971 -16.503 -30.404 34 HB3 ALA 16 2HB ALA 16 10.311 -15.325 -29.268 35 H CYS 17 H CYS 17 10.387 -12.922 -32.146 36 HA CYS 17 HA CYS 17 11.631 -13.580 -34.512 37 HB2 CYS 17 2HB CYS 17 11.168 -11.261 -33.495 38 HB3 CYS 17 3HB CYS 17 12.723 -11.443 -32.692 39 HG CYS 17 HG CYS 17 13.967 -11.934 -35.315 40 H ILE 18 H ILE 18 13.795 -13.945 -35.126 41 HA ILE 18 HA ILE 18 15.257 -15.589 -33.258 42 HB ILE 18 HB ILE 18 16.789 -16.018 -35.122 43 HG12 ILE 18 2HG1 ILE 18 15.054 -14.053 -36.634 44 HG13 ILE 18 3HG1 ILE 18 16.730 -13.799 -36.162 45 HG21 ILE 18 1HG2 ILE 18 14.745 -17.344 -34.900 46 HG22 ILE 18 2HG2 ILE 18 13.889 -16.196 -35.930 47 HG23 ILE 18 3HG2 ILE 18 15.213 -17.157 -36.590 48 HD11 ILE 18 3HD1 ILE 18 15.684 -15.042 -38.501 49 HD12 ILE 18 1HD1 ILE 18 17.357 -14.664 -38.093 50 HD13 ILE 18 2HD1 ILE 18 16.658 -16.208 -37.606 51 H ARG 19 H ARG 19 15.075 -12.373 -33.574 52 HA ARG 19 HA ARG 19 17.935 -11.839 -33.285 53 HB2 ARG 19 2HB ARG 19 15.606 -9.916 -33.450 54 HB3 ARG 19 3HB ARG 19 17.308 -9.472 -33.435 55 HG2 ARG 19 2HG ARG 19 17.323 -11.136 -35.525 56 HG3 ARG 19 3HG ARG 19 15.651 -10.575 -35.615 57 HD2 ARG 19 2HD ARG 19 16.633 -8.943 -36.857 58 HD3 ARG 19 3HD ARG 19 16.831 -8.223 -35.260 59 HE ARG 19 HE ARG 19 19.054 -9.855 -35.910 60 HH11 ARG 19 1HH1 ARG 19 17.604 -6.770 -36.613 61 HH12 ARG 19 2HH1 ARG 19 19.105 -6.010 -37.023 62 HH21 ARG 19 1HH2 ARG 19 21.038 -8.866 -36.447 63 HH22 ARG 19 2HH2 ARG 19 21.058 -7.203 -36.929 64 H CYS 20 H CYS 20 14.918 -10.941 -31.603 65 HA CYS 20 HA CYS 20 16.316 -11.256 -29.050 66 HB2 CYS 20 2HB CYS 20 15.165 -9.127 -28.260 67 HB3 CYS 20 3HB CYS 20 16.523 -8.918 -29.359 68 HG CYS 20 HG CYS 20 13.295 -8.913 -30.474 69 H ASN 21 H ASN 21 14.203 -12.696 -30.616 70 HA ASN 21 HA ASN 21 12.197 -13.729 -30.290 71 HB2 ASN 21 2HB ASN 21 12.581 -13.275 -27.341 72 HB3 ASN 21 3HB ASN 21 11.875 -14.666 -28.160 73 HD21 ASN 21 1HD2 ASN 21 14.174 -14.238 -26.231 74 HD22 ASN 21 2HD2 ASN 21 15.486 -15.103 -26.950 75 H SER 22 H SER 22 11.620 -11.328 -31.097 76 HA SER 22 HA SER 22 9.916 -9.964 -29.166 77 HB2 SER 22 2HB SER 22 11.191 -9.266 -31.731 78 HB3 SER 22 3HB SER 22 9.577 -8.591 -31.501 79 HG SER 22 HG SER 22 10.362 -7.271 -30.071 80 HA PRO 23 HA PRO 23 6.072 -11.554 -30.556 81 HB2 PRO 23 2HB PRO 23 4.478 -9.356 -30.523 82 HB3 PRO 23 3HB PRO 23 5.052 -10.149 -29.051 83 HG2 PRO 23 2HG PRO 23 6.105 -7.704 -30.421 84 HG3 PRO 23 3HG PRO 23 5.851 -7.995 -28.690 85 HD2 PRO 23 2HD PRO 23 8.288 -8.178 -29.855 86 HD3 PRO 23 3HD PRO 23 7.812 -9.186 -28.473 87 H ALA 24 H ALA 24 6.128 -12.236 -32.640 88 HA ALA 24 HA ALA 24 5.840 -10.214 -34.761 89 HB1 ALA 24 3HB ALA 24 6.791 -13.062 -35.028 90 HB2 ALA 24 1HB ALA 24 6.758 -11.838 -36.297 91 HB3 ALA 24 2HB ALA 24 7.840 -11.649 -34.916 92 H LYS 25 H LYS 25 4.000 -10.117 -35.875 93 HA LYS 25 HA LYS 25 1.707 -11.523 -35.165 94 HB2 LYS 25 2HB LYS 25 1.629 -9.385 -36.341 95 HB3 LYS 25 3HB LYS 25 2.342 -10.123 -37.769 96 HG2 LYS 25 2HG LYS 25 -0.069 -9.806 -38.005 97 HG3 LYS 25 3HG LYS 25 0.378 -11.513 -38.066 98 HD2 LYS 25 2HD LYS 25 -1.615 -11.190 -36.702 99 HD3 LYS 25 3HD LYS 25 -0.269 -11.757 -35.712 100 HE2 LYS 25 2HE LYS 25 0.093 -9.591 -34.812 101 HE3 LYS 25 3HE LYS 25 -0.986 -8.848 -35.991 102 HZ1 LYS 25 3HZ LYS 25 -1.644 -9.717 -33.463 103 HZ2 LYS 25 1HZ LYS 25 -2.337 -10.855 -34.507 104 HZ3 LYS 25 2HZ LYS 25 -2.714 -9.215 -34.675 105 H TYR 26 H TYR 26 1.460 -13.656 -35.308 106 HA TYR 26 HA TYR 26 2.722 -15.174 -37.426 107 HB2 TYR 26 2HB TYR 26 2.762 -16.187 -35.262 108 HB3 TYR 26 3HB TYR 26 1.029 -15.963 -35.053 109 HD1 TYR 26 HD2 TYR 26 2.939 -17.337 -37.946 110 HD2 TYR 26 HD1 TYR 26 0.137 -18.098 -34.837 111 HE1 TYR 26 HE2 TYR 26 2.545 -19.586 -38.860 112 HE2 TYR 26 HE1 TYR 26 -0.265 -20.350 -35.741 113 HH TYR 26 HH TYR 26 1.578 -21.960 -37.549 114 H ASP 27 H ASP 27 1.776 -15.915 -39.222 115 HA ASP 27 HA ASP 27 -1.150 -15.643 -39.459 116 HB2 ASP 27 2HB ASP 27 0.969 -14.520 -41.091 117 HB3 ASP 27 3HB ASP 27 -0.111 -15.527 -42.050 118 H CYS 28 H CYS 28 -1.598 -17.782 -38.989 119 HA CYS 28 HA CYS 28 -0.267 -20.029 -39.922 120 HB2 CYS 28 2HB CYS 28 -2.416 -21.236 -39.522 121 HB3 CYS 28 3HB CYS 28 -1.915 -20.220 -38.175 122 HG CYS 28 HG CYS 28 -4.313 -19.373 -40.468 123 H TYR 29 H TYR 29 -2.404 -17.882 -41.577 124 HA TYR 29 HA TYR 29 -3.450 -19.432 -43.597 125 HB2 TYR 29 2HB TYR 29 -3.178 -16.682 -43.077 126 HB3 TYR 29 3HB TYR 29 -2.514 -16.929 -44.688 127 HD1 TYR 29 HD2 TYR 29 -5.535 -17.372 -42.601 128 HD2 TYR 29 HD1 TYR 29 -3.927 -17.375 -46.541 129 HE1 TYR 29 HE2 TYR 29 -7.813 -17.427 -43.525 130 HE2 TYR 29 HE1 TYR 29 -6.202 -17.429 -47.475 131 HH TYR 29 HH TYR 29 -8.926 -18.149 -45.639 132 H LEU 30 H LEU 30 -0.290 -17.797 -43.564 133 HA LEU 30 HA LEU 30 0.575 -19.634 -45.700 134 HB2 LEU 30 2HB LEU 30 1.555 -16.821 -45.246 135 HB3 LEU 30 3HB LEU 30 2.028 -17.905 -46.554 136 HG LEU 30 HG LEU 30 -0.642 -16.564 -46.158 137 HD11 LEU 30 1HD1 LEU 30 0.135 -15.953 -48.642 138 HD12 LEU 30 2HD1 LEU 30 1.717 -16.127 -47.882 139 HD13 LEU 30 3HD1 LEU 30 0.550 -14.974 -47.235 140 HD21 LEU 30 3HD2 LEU 30 -1.531 -18.336 -47.183 141 HD22 LEU 30 1HD2 LEU 30 0.052 -19.007 -47.577 142 HD23 LEU 30 2HD2 LEU 30 -0.674 -17.789 -48.625 143 H GLN 31 H GLN 31 0.766 -19.523 -42.622 144 HA GLN 31 HA GLN 31 2.284 -19.992 -40.985 145 HB2 GLN 31 2HB GLN 31 3.500 -21.381 -43.369 146 HB3 GLN 31 3HB GLN 31 4.138 -21.555 -41.740 147 HG2 GLN 31 2HG GLN 31 2.783 -23.394 -41.906 148 HG3 GLN 31 3HG GLN 31 1.704 -22.229 -41.140 149 HE21 GLN 31 1HE2 GLN 31 -0.116 -23.320 -41.894 150 HE22 GLN 31 2HE2 GLN 31 -0.608 -23.246 -43.548 151 H ARG 32 H ARG 32 2.602 -17.435 -41.870 152 HA ARG 32 HA ARG 32 5.531 -17.101 -41.908 153 HB2 ARG 32 2HB ARG 32 5.156 -14.950 -43.062 154 HB3 ARG 32 3HB ARG 32 4.574 -16.321 -43.997 155 HG2 ARG 32 2HG ARG 32 2.444 -15.629 -43.926 156 HG3 ARG 32 3HG ARG 32 2.568 -15.088 -42.251 157 HD2 ARG 32 2HD ARG 32 2.172 -13.287 -43.982 158 HD3 ARG 32 3HD ARG 32 3.526 -13.027 -42.883 159 HE ARG 32 HE ARG 32 4.327 -14.322 -45.298 160 HH11 ARG 32 1HH1 ARG 32 3.550 -11.235 -43.888 161 HH12 ARG 32 2HH1 ARG 32 4.515 -10.334 -45.011 162 HH21 ARG 32 1HH2 ARG 32 5.599 -13.147 -46.782 163 HH22 ARG 32 2HH2 ARG 32 5.678 -11.423 -46.657 164 H ALA 33 H ALA 33 6.332 -15.151 -40.837 165 HA ALA 33 HA ALA 33 4.540 -14.080 -38.775 166 HB1 ALA 33 3HB ALA 33 5.541 -15.439 -37.294 167 HB2 ALA 33 1HB ALA 33 6.920 -15.745 -38.351 168 HB3 ALA 33 2HB ALA 33 6.861 -14.274 -37.380 169 H THR 34 H THR 34 4.793 -11.952 -38.380 170 HA THR 34 HA THR 34 7.080 -10.599 -39.658 171 HB THR 34 HB THR 34 4.693 -8.952 -39.192 172 HG1 THR 34 HG1 THR 34 4.547 -10.732 -41.379 173 HG21 THR 34 1HG2 THR 34 5.264 -8.042 -41.323 174 HG22 THR 34 2HG2 THR 34 6.280 -9.430 -41.712 175 HG23 THR 34 3HG2 THR 34 6.774 -8.302 -40.450 176 H CYS 35 H CYS 35 8.427 -9.768 -38.215 177 HA CYS 35 HA CYS 35 7.955 -9.555 -35.481 178 HB2 CYS 35 2HB CYS 35 10.204 -9.590 -36.539 179 HB3 CYS 35 3HB CYS 35 9.934 -7.948 -37.111 180 HG CYS 35 HG CYS 35 10.492 -9.019 -33.932 181 H LYS 36 H LYS 36 7.053 -8.061 -34.199 182 HA LYS 36 HA LYS 36 5.840 -5.731 -35.478 183 HB2 LYS 36 2HB LYS 36 5.427 -6.882 -32.713 184 HB3 LYS 36 3HB LYS 36 4.522 -5.542 -33.407 185 HG2 LYS 36 2HG LYS 36 4.573 -8.140 -34.857 186 HG3 LYS 36 3HG LYS 36 3.561 -7.978 -33.420 187 HD2 LYS 36 2HD LYS 36 2.041 -7.230 -34.915 188 HD3 LYS 36 3HD LYS 36 2.910 -5.706 -34.713 189 HE2 LYS 36 2HE LYS 36 4.225 -7.339 -36.674 190 HE3 LYS 36 3HE LYS 36 2.517 -7.172 -37.079 191 HZ1 LYS 36 3HZ LYS 36 3.820 -4.723 -36.260 192 HZ2 LYS 36 1HZ LYS 36 2.756 -5.008 -37.544 193 HZ3 LYS 36 2HZ LYS 36 4.398 -5.376 -37.709 194 H ARG 37 H ARG 37 8.697 -5.801 -34.965 195 HA ARG 37 HA ARG 37 8.940 -3.714 -32.903 196 HB2 ARG 37 2HB ARG 37 10.288 -5.854 -32.670 197 HB3 ARG 37 3HB ARG 37 11.194 -5.331 -34.084 198 HG2 ARG 37 2HG ARG 37 12.395 -3.854 -32.917 199 HG3 ARG 37 3HG ARG 37 10.995 -3.300 -31.995 200 HD2 ARG 37 2HD ARG 37 11.222 -5.631 -30.828 201 HD3 ARG 37 3HD ARG 37 12.876 -5.549 -31.433 202 HE ARG 37 HE ARG 37 12.534 -3.157 -30.209 203 HH11 ARG 37 1HH1 ARG 37 12.060 -6.458 -29.212 204 HH12 ARG 37 2HH1 ARG 37 12.415 -6.143 -27.546 205 HH21 ARG 37 1HH2 ARG 37 13.003 -2.729 -28.018 206 HH22 ARG 37 2HH2 ARG 37 12.950 -4.021 -26.868 207 H GLU 38 H GLU 38 9.369 -1.701 -33.525 208 HA GLU 38 HA GLU 38 9.424 -0.881 -36.178 209 HB2 GLU 38 2HB GLU 38 10.600 0.575 -33.803 210 HB3 GLU 38 3HB GLU 38 10.140 1.300 -35.337 211 HG2 GLU 38 2HG GLU 38 7.960 1.353 -34.813 212 HG3 GLU 38 3HG GLU 38 8.012 -0.200 -33.981 213 H GLY 39 H GLY 39 11.984 -2.042 -34.156 214 HA2 GLY 39 2HA GLY 39 14.120 -0.977 -35.770 215 HA3 GLY 39 3HA GLY 39 14.278 -2.137 -34.461 216 H CYS 40 H CYS 40 12.154 -3.819 -35.824 217 HA CYS 40 HA CYS 40 13.970 -5.062 -37.777 218 HB2 CYS 40 2HB CYS 40 12.279 -6.128 -35.646 219 HB3 CYS 40 3HB CYS 40 12.040 -6.950 -37.183 220 HG CYS 40 HG CYS 40 14.947 -6.698 -35.407 221 H GLY 41 H GLY 41 10.485 -5.477 -37.267 222 HA2 GLY 41 2HA GLY 41 8.754 -5.501 -38.784 223 HA3 GLY 41 3HA GLY 41 9.462 -3.991 -39.338 224 H PHE 42 H PHE 42 10.094 -7.492 -39.608 225 HA PHE 42 HA PHE 42 10.382 -7.120 -42.507 226 HB2 PHE 42 2HB PHE 42 12.317 -8.579 -42.569 227 HB3 PHE 42 3HB PHE 42 12.633 -7.247 -41.461 228 HD1 PHE 42 HD1 PHE 42 11.949 -7.770 -38.945 229 HD2 PHE 42 HD2 PHE 42 12.897 -10.689 -41.894 230 HE1 PHE 42 HE1 PHE 42 12.508 -9.379 -37.168 231 HE2 PHE 42 HE2 PHE 42 13.457 -12.302 -40.124 232 HZ PHE 42 HZ PHE 42 13.261 -11.649 -37.757 233 H ASP 43 H ASP 43 9.727 -8.845 -43.783 234 HA ASP 43 HA ASP 43 7.906 -10.692 -42.472 235 HB2 ASP 43 2HB ASP 43 6.984 -11.103 -44.613 236 HB3 ASP 43 3HB ASP 43 7.351 -9.380 -44.588 237 H TYR 44 H TYR 44 8.082 -12.901 -42.467 238 HA TYR 44 HA TYR 44 10.051 -14.328 -43.944 239 HB2 TYR 44 2HB TYR 44 11.430 -15.063 -42.027 240 HB3 TYR 44 3HB TYR 44 11.574 -13.335 -42.328 241 HD1 TYR 44 HD1 TYR 44 10.204 -11.754 -40.865 242 HD2 TYR 44 HD2 TYR 44 10.802 -15.858 -39.914 243 HE1 TYR 44 HE1 TYR 44 9.610 -11.292 -38.523 244 HE2 TYR 44 HE2 TYR 44 10.208 -15.407 -37.570 245 HH TYR 44 HH TYR 44 9.562 -13.886 -36.094 246 H CYS 45 H CYS 45 9.988 -16.622 -43.536 247 HA CYS 45 HA CYS 45 7.358 -17.503 -42.797 248 HB2 CYS 45 2HB CYS 45 9.212 -18.425 -44.558 249 HB3 CYS 45 3HB CYS 45 9.456 -19.537 -43.216 250 HG CYS 45 HG CYS 45 6.537 -19.035 -44.926 251 H THR 46 H THR 46 6.696 -18.289 -40.905 252 HA THR 46 HA THR 46 8.466 -18.302 -38.655 253 HB THR 46 HB THR 46 6.193 -17.603 -38.290 254 HG1 THR 46 HG1 THR 46 7.394 -19.215 -36.772 255 HG21 THR 46 1HG2 THR 46 4.589 -19.843 -38.403 256 HG22 THR 46 2HG2 THR 46 5.583 -19.988 -39.852 257 HG23 THR 46 3HG2 THR 46 4.620 -18.535 -39.584 258 H LYS 47 H LYS 47 7.778 -20.560 -41.032 259 HA LYS 47 HA LYS 47 7.894 -22.944 -39.454 260 HB2 LYS 47 2HB LYS 47 8.392 -22.585 -42.415 261 HB3 LYS 47 3HB LYS 47 8.083 -24.108 -41.593 262 HG2 LYS 47 2HG LYS 47 6.143 -21.812 -41.756 263 HG3 LYS 47 3HG LYS 47 6.115 -23.245 -42.787 264 HD2 LYS 47 2HD LYS 47 5.960 -23.371 -39.781 265 HD3 LYS 47 3HD LYS 47 4.536 -23.280 -40.820 266 HE2 LYS 47 2HE LYS 47 4.621 -25.507 -40.904 267 HE3 LYS 47 3HE LYS 47 6.031 -25.309 -41.946 268 HZ1 LYS 47 3HZ LYS 47 5.903 -26.444 -39.384 269 HZ2 LYS 47 1HZ LYS 47 6.885 -25.068 -39.302 270 HZ3 LYS 47 2HZ LYS 47 7.245 -26.298 -40.404 271 H CYS 48 H CYS 48 10.187 -21.589 -41.832 272 HA CYS 48 HA CYS 48 12.341 -23.081 -40.533 273 HB2 CYS 48 2HB CYS 48 12.471 -21.478 -43.091 274 HB3 CYS 48 3HB CYS 48 13.642 -22.656 -42.514 275 HG CYS 48 HG CYS 48 12.332 -24.852 -43.202 276 H LEU 49 H LEU 49 10.943 -20.108 -40.286 277 HA LEU 49 HA LEU 49 11.561 -18.104 -39.405 278 HB2 LEU 49 2HB LEU 49 13.771 -19.817 -38.284 279 HB3 LEU 49 3HB LEU 49 13.454 -18.155 -37.788 280 HG LEU 49 HG LEU 49 11.670 -20.550 -37.373 281 HD11 LEU 49 1HD1 LEU 49 12.408 -20.614 -35.256 282 HD12 LEU 49 2HD1 LEU 49 12.504 -18.858 -35.126 283 HD13 LEU 49 3HD1 LEU 49 13.807 -19.757 -35.903 284 HD21 LEU 49 3HD2 LEU 49 11.179 -17.648 -36.715 285 HD22 LEU 49 1HD2 LEU 49 10.175 -19.002 -36.196 286 HD23 LEU 49 2HD2 LEU 49 10.310 -18.611 -37.911 287 H CYS 50 H CYS 50 12.439 -18.665 -42.056 288 HA CYS 50 HA CYS 50 14.828 -16.952 -42.144 289 HB2 CYS 50 2HB CYS 50 14.619 -19.640 -43.062 290 HB3 CYS 50 3HB CYS 50 14.757 -18.599 -44.474 291 HG CYS 50 HG CYS 50 17.044 -19.354 -42.137 292 H ASN 51 H ASN 51 15.079 -16.379 -44.713 293 HA ASN 51 HA ASN 51 13.181 -14.453 -45.249 294 HB2 ASN 51 2HB ASN 51 14.914 -15.949 -47.230 295 HB3 ASN 51 3HB ASN 51 14.073 -14.438 -47.564 296 HD21 ASN 51 1HD2 ASN 51 16.779 -15.932 -46.072 297 HD22 ASN 51 2HD2 ASN 51 17.582 -14.485 -45.573 298 H TYR 52 H TYR 52 11.076 -14.699 -45.567 299 HA TYR 52 HA TYR 52 9.733 -17.031 -46.181 300 HB2 TYR 52 2HB TYR 52 8.658 -14.991 -45.292 301 HB3 TYR 52 3HB TYR 52 8.855 -14.217 -46.860 302 HD1 TYR 52 HD1 TYR 52 7.165 -17.016 -45.115 303 HD2 TYR 52 HD2 TYR 52 7.291 -14.567 -48.593 304 HE1 TYR 52 HE1 TYR 52 5.003 -17.938 -45.836 305 HE2 TYR 52 HE2 TYR 52 5.128 -15.482 -49.323 306 HH TYR 52 HH TYR 52 3.617 -17.138 -48.973 307 H HIS 53 H HIS 53 8.648 -17.749 -48.092 308 HA HIS 53 HA HIS 53 10.274 -17.800 -50.381 309 HB2 HIS 53 2HB HIS 53 7.332 -18.477 -50.185 310 HB3 HIS 53 3HB HIS 53 8.438 -19.000 -51.452 311 HD1 HIS 53 HD1 HIS 53 9.724 -21.111 -51.039 312 HD2 HIS 53 HD2 HIS 53 7.890 -19.666 -47.602 313 HE1 HIS 53 HE1 HIS 53 10.036 -22.906 -49.305 314 H THR 54 H THR 54 10.717 -15.799 -51.215 315 HA THR 54 HA THR 54 8.434 -14.379 -52.420 316 HB THR 54 HB THR 54 9.846 -12.267 -52.134 317 HG1 THR 54 HG1 THR 54 11.437 -12.337 -50.571 318 HG21 THR 54 1HG2 THR 54 9.255 -12.811 -49.393 319 HG22 THR 54 2HG2 THR 54 8.020 -13.565 -50.401 320 HG23 THR 54 3HG2 THR 54 8.343 -11.838 -50.548 321 H THR 55 H THR 55 11.982 -14.068 -52.541 322 HA THR 55 HA THR 55 12.113 -13.389 -55.244 323 HB THR 55 HB THR 55 14.521 -14.149 -55.101 324 HG1 THR 55 HG1 THR 55 15.255 -14.847 -53.089 325 HG21 THR 55 1HG2 THR 55 14.482 -12.522 -52.757 326 HG22 THR 55 2HG2 THR 55 13.200 -11.984 -53.842 327 HG23 THR 55 3HG2 THR 55 14.866 -12.060 -54.415 328 H LYS 56 H LYS 56 13.303 -16.479 -53.929 329 HA LYS 56 HA LYS 56 12.099 -17.853 -56.231 330 HB2 LYS 56 2HB LYS 56 14.955 -17.973 -55.299 331 HB3 LYS 56 3HB LYS 56 14.235 -19.309 -56.187 332 HG2 LYS 56 2HG LYS 56 13.887 -17.967 -58.105 333 HG3 LYS 56 3HG LYS 56 14.260 -16.487 -57.219 334 HD2 LYS 56 2HD LYS 56 16.141 -17.110 -58.610 335 HD3 LYS 56 3HD LYS 56 16.572 -17.291 -56.907 336 HE2 LYS 56 2HE LYS 56 16.301 -19.664 -57.022 337 HE3 LYS 56 3HE LYS 56 15.612 -19.560 -58.641 338 HZ1 LYS 56 3HZ LYS 56 17.702 -20.008 -59.270 339 HZ2 LYS 56 1HZ LYS 56 18.381 -19.502 -57.805 340 HZ3 LYS 56 2HZ LYS 56 17.979 -18.363 -58.989 341 H ASP 57 H ASP 57 14.045 -18.654 -53.348 342 HA ASP 57 HA ASP 57 11.860 -20.357 -52.402 343 HB2 ASP 57 2HB ASP 57 14.532 -21.261 -53.288 344 HB3 ASP 57 3HB ASP 57 13.977 -21.924 -51.753 345 H CYS 58 H CYS 58 12.062 -20.953 -50.138 346 HA CYS 58 HA CYS 58 13.041 -18.758 -48.572 347 HB2 CYS 58 2HB CYS 58 10.953 -19.812 -47.945 348 HB3 CYS 58 3HB CYS 58 11.746 -21.373 -47.780 349 HG CYS 58 HG CYS 58 13.338 -20.504 -45.592 Start of MODEL 4 1 H SER 13 H SER 13 -0.447 -15.648 -28.981 2 HA SER 13 HA SER 13 0.055 -18.056 -30.527 3 HB2 SER 13 2HB SER 13 -1.579 -15.658 -31.368 4 HB3 SER 13 3HB SER 13 -1.676 -17.306 -31.991 5 HG SER 13 HG SER 13 -3.105 -17.644 -30.504 6 H LEU 14 H LEU 14 1.375 -14.959 -30.204 7 HA LEU 14 HA LEU 14 2.227 -14.558 -32.900 8 HB2 LEU 14 2HB LEU 14 2.730 -13.290 -30.271 9 HB3 LEU 14 3HB LEU 14 3.947 -13.046 -31.521 10 HG LEU 14 HG LEU 14 2.289 -12.026 -32.973 11 HD11 LEU 14 1HD1 LEU 14 0.062 -11.472 -31.604 12 HD12 LEU 14 2HD1 LEU 14 0.435 -13.051 -30.914 13 HD13 LEU 14 3HD1 LEU 14 0.220 -12.879 -32.656 14 HD21 LEU 14 3HD2 LEU 14 2.594 -10.963 -30.191 15 HD22 LEU 14 1HD2 LEU 14 1.644 -10.088 -31.393 16 HD23 LEU 14 2HD2 LEU 14 3.352 -10.414 -31.687 17 H LYS 15 H LYS 15 4.580 -14.388 -33.465 18 HA LYS 15 HA LYS 15 5.950 -16.805 -32.530 19 HB2 LYS 15 2HB LYS 15 5.685 -15.470 -35.081 20 HB3 LYS 15 3HB LYS 15 7.380 -15.701 -34.675 21 HG2 LYS 15 2HG LYS 15 6.461 -17.552 -35.996 22 HG3 LYS 15 3HG LYS 15 7.038 -18.074 -34.412 23 HD2 LYS 15 2HD LYS 15 4.283 -17.319 -34.221 24 HD3 LYS 15 3HD LYS 15 4.485 -18.464 -35.549 25 HE2 LYS 15 2HE LYS 15 5.983 -19.692 -33.720 26 HE3 LYS 15 3HE LYS 15 4.894 -18.831 -32.634 27 HZ1 LYS 15 3HZ LYS 15 3.668 -20.685 -32.961 28 HZ2 LYS 15 1HZ LYS 15 4.332 -21.015 -34.481 29 HZ3 LYS 15 2HZ LYS 15 3.133 -19.833 -34.321 30 H ALA 16 H ALA 16 8.331 -16.708 -32.327 31 HA ALA 16 HA ALA 16 9.128 -14.192 -31.028 32 HB1 ALA 16 3HB ALA 16 10.902 -15.651 -29.958 33 HB2 ALA 16 1HB ALA 16 9.234 -15.958 -29.470 34 HB3 ALA 16 2HB ALA 16 10.027 -17.032 -30.623 35 H CYS 17 H CYS 17 10.365 -12.922 -32.233 36 HA CYS 17 HA CYS 17 11.586 -13.549 -34.624 37 HB2 CYS 17 2HB CYS 17 11.204 -11.251 -33.493 38 HB3 CYS 17 3HB CYS 17 12.781 -11.514 -32.761 39 HG CYS 17 HG CYS 17 12.054 -11.097 -36.066 40 H ILE 18 H ILE 18 13.693 -14.054 -35.256 41 HA ILE 18 HA ILE 18 15.118 -15.741 -33.396 42 HB ILE 18 HB ILE 18 16.582 -16.273 -35.285 43 HG12 ILE 18 2HG1 ILE 18 14.919 -14.242 -36.792 44 HG13 ILE 18 3HG1 ILE 18 16.615 -14.065 -36.354 45 HG21 ILE 18 1HG2 ILE 18 14.934 -17.368 -36.689 46 HG22 ILE 18 2HG2 ILE 18 14.457 -17.472 -34.995 47 HG23 ILE 18 3HG2 ILE 18 13.668 -16.311 -36.063 48 HD11 ILE 18 3HD1 ILE 18 16.381 -16.491 -37.764 49 HD12 ILE 18 1HD1 ILE 18 15.473 -15.275 -38.660 50 HD13 ILE 18 2HD1 ILE 18 17.171 -15.000 -38.274 51 H ARG 19 H ARG 19 15.081 -12.519 -33.789 52 HA ARG 19 HA ARG 19 17.965 -12.105 -33.584 53 HB2 ARG 19 2HB ARG 19 15.716 -10.084 -33.653 54 HB3 ARG 19 3HB ARG 19 17.434 -9.719 -33.725 55 HG2 ARG 19 2HG ARG 19 17.282 -11.379 -35.806 56 HG3 ARG 19 3HG ARG 19 15.625 -10.770 -35.812 57 HD2 ARG 19 2HD ARG 19 16.671 -9.229 -37.160 58 HD3 ARG 19 3HD ARG 19 16.791 -8.443 -35.586 59 HE ARG 19 HE ARG 19 19.064 -8.676 -35.684 60 HH11 ARG 19 1HH1 ARG 19 17.602 -10.781 -38.040 61 HH12 ARG 19 2HH1 ARG 19 19.110 -11.229 -38.768 62 HH21 ARG 19 1HH2 ARG 19 21.055 -9.257 -36.633 63 HH22 ARG 19 2HH2 ARG 19 21.074 -10.362 -37.966 64 H CYS 20 H CYS 20 15.146 -10.800 -31.828 65 HA CYS 20 HA CYS 20 16.613 -11.241 -29.316 66 HB2 CYS 20 2HB CYS 20 15.544 -9.072 -28.513 67 HB3 CYS 20 3HB CYS 20 16.856 -8.915 -29.673 68 HG CYS 20 HG CYS 20 13.526 -8.673 -30.425 69 H ASN 21 H ASN 21 14.350 -12.598 -30.804 70 HA ASN 21 HA ASN 21 12.336 -13.571 -30.363 71 HB2 ASN 21 2HB ASN 21 13.028 -13.161 -27.454 72 HB3 ASN 21 3HB ASN 21 12.055 -14.446 -28.164 73 HD21 ASN 21 1HD2 ASN 21 13.223 -15.843 -29.753 74 HD22 ASN 21 2HD2 ASN 21 14.851 -16.279 -29.372 75 H SER 22 H SER 22 11.300 -11.619 -31.223 76 HA SER 22 HA SER 22 9.889 -10.090 -29.137 77 HB2 SER 22 2HB SER 22 10.646 -8.288 -30.246 78 HB3 SER 22 3HB SER 22 11.212 -9.274 -31.593 79 HG SER 22 HG SER 22 9.090 -7.683 -31.501 80 HA PRO 23 HA PRO 23 5.996 -11.608 -30.469 81 HB2 PRO 23 2HB PRO 23 4.420 -9.404 -30.323 82 HB3 PRO 23 3HB PRO 23 5.029 -10.246 -28.893 83 HG2 PRO 23 2HG PRO 23 6.060 -7.765 -30.214 84 HG3 PRO 23 3HG PRO 23 5.851 -8.109 -28.487 85 HD2 PRO 23 2HD PRO 23 8.254 -8.270 -29.723 86 HD3 PRO 23 3HD PRO 23 7.809 -9.318 -28.362 87 H ALA 24 H ALA 24 6.180 -12.201 -32.605 88 HA ALA 24 HA ALA 24 5.780 -10.118 -34.640 89 HB1 ALA 24 3HB ALA 24 6.372 -12.757 -35.677 90 HB2 ALA 24 1HB ALA 24 7.206 -11.226 -35.940 91 HB3 ALA 24 2HB ALA 24 7.592 -12.208 -34.527 92 H LYS 25 H LYS 25 3.936 -9.999 -35.751 93 HA LYS 25 HA LYS 25 1.653 -11.440 -35.036 94 HB2 LYS 25 2HB LYS 25 1.437 -9.284 -36.071 95 HB3 LYS 25 3HB LYS 25 2.279 -9.832 -37.514 96 HG2 LYS 25 2HG LYS 25 -0.128 -9.648 -37.876 97 HG3 LYS 25 3HG LYS 25 0.434 -11.312 -38.059 98 HD2 LYS 25 2HD LYS 25 -1.652 -11.240 -36.803 99 HD3 LYS 25 3HD LYS 25 -0.330 -11.813 -35.783 100 HE2 LYS 25 2HE LYS 25 -0.122 -9.618 -34.772 101 HE3 LYS 25 3HE LYS 25 -1.369 -8.981 -35.844 102 HZ1 LYS 25 3HZ LYS 25 -2.565 -9.419 -33.959 103 HZ2 LYS 25 1HZ LYS 25 -1.645 -10.775 -33.537 104 HZ3 LYS 25 2HZ LYS 25 -2.776 -10.877 -34.791 105 H TYR 26 H TYR 26 1.782 -13.631 -35.163 106 HA TYR 26 HA TYR 26 2.872 -14.989 -37.435 107 HB2 TYR 26 2HB TYR 26 3.058 -16.133 -35.369 108 HB3 TYR 26 3HB TYR 26 1.352 -15.905 -34.998 109 HD1 TYR 26 HD1 TYR 26 3.131 -17.246 -38.002 110 HD2 TYR 26 HD2 TYR 26 0.310 -17.961 -34.899 111 HE1 TYR 26 HE1 TYR 26 2.635 -19.452 -38.971 112 HE2 TYR 26 HE2 TYR 26 -0.194 -20.169 -35.858 113 HH TYR 26 HH TYR 26 0.506 -21.736 -37.342 114 H ASP 27 H ASP 27 1.874 -15.734 -39.208 115 HA ASP 27 HA ASP 27 -1.064 -15.537 -39.321 116 HB2 ASP 27 2HB ASP 27 0.972 -14.337 -41.036 117 HB3 ASP 27 3HB ASP 27 -0.213 -15.274 -41.942 118 H CYS 28 H CYS 28 -1.414 -17.707 -38.909 119 HA CYS 28 HA CYS 28 -0.054 -19.871 -39.981 120 HB2 CYS 28 2HB CYS 28 -1.655 -20.134 -38.172 121 HB3 CYS 28 3HB CYS 28 -2.975 -19.646 -39.228 122 HG CYS 28 HG CYS 28 -1.142 -22.385 -40.049 123 H TYR 29 H TYR 29 -2.329 -17.742 -41.471 124 HA TYR 29 HA TYR 29 -3.395 -19.251 -43.510 125 HB2 TYR 29 2HB TYR 29 -3.191 -16.511 -42.896 126 HB3 TYR 29 3HB TYR 29 -2.597 -16.681 -44.544 127 HD1 TYR 29 HD1 TYR 29 -5.501 -17.235 -42.335 128 HD2 TYR 29 HD2 TYR 29 -4.078 -17.179 -46.344 129 HE1 TYR 29 HE1 TYR 29 -7.819 -17.336 -43.151 130 HE2 TYR 29 HE2 TYR 29 -6.392 -17.278 -47.173 131 HH TYR 29 HH TYR 29 -9.034 -18.017 -45.163 132 H LEU 30 H LEU 30 -0.286 -17.524 -43.511 133 HA LEU 30 HA LEU 30 0.552 -19.231 -45.761 134 HB2 LEU 30 2HB LEU 30 1.485 -16.420 -45.208 135 HB3 LEU 30 3HB LEU 30 1.917 -17.425 -46.590 136 HG LEU 30 HG LEU 30 -0.758 -16.165 -46.006 137 HD11 LEU 30 1HD1 LEU 30 1.510 -15.588 -47.806 138 HD12 LEU 30 2HD1 LEU 30 0.348 -14.496 -47.054 139 HD13 LEU 30 3HD1 LEU 30 -0.106 -15.414 -48.490 140 HD21 LEU 30 3HD2 LEU 30 -1.692 -17.843 -47.126 141 HD22 LEU 30 1HD2 LEU 30 -0.121 -18.545 -47.511 142 HD23 LEU 30 2HD2 LEU 30 -0.806 -17.294 -48.549 143 H GLN 31 H GLN 31 0.850 -19.241 -42.685 144 HA GLN 31 HA GLN 31 2.437 -19.748 -41.126 145 HB2 GLN 31 2HB GLN 31 3.528 -21.019 -43.625 146 HB3 GLN 31 3HB GLN 31 4.345 -21.186 -42.077 147 HG2 GLN 31 2HG GLN 31 3.084 -23.046 -41.964 148 HG3 GLN 31 3HG GLN 31 1.892 -21.912 -41.330 149 HE21 GLN 31 1HE2 GLN 31 0.085 -22.944 -42.016 150 HE22 GLN 31 2HE2 GLN 31 -0.325 -23.168 -43.679 151 H ARG 32 H ARG 32 2.652 -17.141 -41.951 152 HA ARG 32 HA ARG 32 5.568 -16.724 -42.059 153 HB2 ARG 32 2HB ARG 32 5.100 -14.542 -43.107 154 HB3 ARG 32 3HB ARG 32 4.497 -15.882 -44.073 155 HG2 ARG 32 2HG ARG 32 2.362 -15.231 -43.876 156 HG3 ARG 32 3HG ARG 32 2.554 -14.764 -42.185 157 HD2 ARG 32 2HD ARG 32 2.052 -12.894 -43.814 158 HD3 ARG 32 3HD ARG 32 3.448 -12.660 -42.764 159 HE ARG 32 HE ARG 32 4.199 -13.832 -45.243 160 HH11 ARG 32 1HH1 ARG 32 3.302 -10.816 -43.754 161 HH12 ARG 32 2HH1 ARG 32 4.170 -9.844 -44.896 162 HH21 ARG 32 1HH2 ARG 32 5.345 -12.564 -46.753 163 HH22 ARG 32 2HH2 ARG 32 5.331 -10.840 -46.602 164 H ALA 33 H ALA 33 6.350 -14.789 -40.937 165 HA ALA 33 HA ALA 33 4.615 -13.897 -38.742 166 HB1 ALA 33 3HB ALA 33 7.039 -14.023 -37.504 167 HB2 ALA 33 1HB ALA 33 5.766 -15.237 -37.366 168 HB3 ALA 33 2HB ALA 33 7.079 -15.462 -38.524 169 H THR 34 H THR 34 4.750 -11.773 -38.297 170 HA THR 34 HA THR 34 6.868 -10.236 -39.657 171 HB THR 34 HB THR 34 4.792 -8.459 -39.038 172 HG1 THR 34 HG1 THR 34 3.788 -10.861 -40.206 173 HG21 THR 34 1HG2 THR 34 5.063 -9.716 -41.742 174 HG22 THR 34 2HG2 THR 34 6.382 -8.748 -41.080 175 HG23 THR 34 3HG2 THR 34 4.790 -8.028 -41.316 176 H CYS 35 H CYS 35 8.342 -9.610 -38.222 177 HA CYS 35 HA CYS 35 7.979 -9.452 -35.454 178 HB2 CYS 35 2HB CYS 35 10.178 -9.627 -36.664 179 HB3 CYS 35 3HB CYS 35 10.028 -7.920 -37.064 180 HG CYS 35 HG CYS 35 9.960 -8.944 -33.815 181 H LYS 36 H LYS 36 6.642 -8.128 -34.427 182 HA LYS 36 HA LYS 36 5.569 -5.759 -35.470 183 HB2 LYS 36 2HB LYS 36 5.768 -6.818 -32.655 184 HB3 LYS 36 3HB LYS 36 4.947 -5.310 -33.034 185 HG2 LYS 36 2HG LYS 36 4.220 -7.887 -34.384 186 HG3 LYS 36 3HG LYS 36 3.525 -7.411 -32.833 187 HD2 LYS 36 2HD LYS 36 1.977 -6.339 -34.041 188 HD3 LYS 36 3HD LYS 36 3.234 -5.140 -34.355 189 HE2 LYS 36 2HE LYS 36 3.536 -5.823 -36.492 190 HE3 LYS 36 3HE LYS 36 3.242 -7.517 -36.104 191 HZ1 LYS 36 3HZ LYS 36 1.218 -7.286 -36.933 192 HZ2 LYS 36 1HZ LYS 36 1.467 -5.637 -37.213 193 HZ3 LYS 36 2HZ LYS 36 0.846 -6.158 -35.730 194 H ARG 37 H ARG 37 8.522 -6.384 -33.766 195 HA ARG 37 HA ARG 37 9.127 -3.925 -32.667 196 HB2 ARG 37 2HB ARG 37 10.456 -6.166 -32.680 197 HB3 ARG 37 3HB ARG 37 11.229 -5.501 -34.112 198 HG2 ARG 37 2HG ARG 37 12.568 -4.239 -32.881 199 HG3 ARG 37 3HG ARG 37 11.201 -3.555 -32.000 200 HD2 ARG 37 2HD ARG 37 11.291 -5.969 -30.850 201 HD3 ARG 37 3HD ARG 37 12.989 -5.808 -31.297 202 HE ARG 37 HE ARG 37 12.463 -3.456 -30.086 203 HH11 ARG 37 1HH1 ARG 37 11.920 -6.769 -29.166 204 HH12 ARG 37 2HH1 ARG 37 12.075 -6.460 -27.469 205 HH21 ARG 37 1HH2 ARG 37 12.668 -3.036 -27.854 206 HH22 ARG 37 2HH2 ARG 37 12.500 -4.336 -26.723 207 H GLU 38 H GLU 38 9.130 -1.974 -33.551 208 HA GLU 38 HA GLU 38 8.958 -1.391 -36.251 209 HB2 GLU 38 2HB GLU 38 10.046 0.311 -34.004 210 HB3 GLU 38 3HB GLU 38 9.668 0.918 -35.610 211 HG2 GLU 38 2HG GLU 38 7.576 -0.516 -34.043 212 HG3 GLU 38 3HG GLU 38 7.953 1.166 -33.674 213 H GLY 39 H GLY 39 11.805 -1.802 -34.229 214 HA2 GLY 39 2HA GLY 39 13.717 -0.782 -36.033 215 HA3 GLY 39 3HA GLY 39 14.040 -1.927 -34.739 216 H CYS 40 H CYS 40 12.046 -3.827 -35.917 217 HA CYS 40 HA CYS 40 13.830 -4.915 -37.982 218 HB2 CYS 40 2HB CYS 40 12.332 -6.084 -35.775 219 HB3 CYS 40 3HB CYS 40 12.023 -6.913 -37.296 220 HG CYS 40 HG CYS 40 15.109 -6.432 -35.895 221 H GLY 41 H GLY 41 10.393 -5.523 -37.329 222 HA2 GLY 41 2HA GLY 41 8.606 -5.656 -38.773 223 HA3 GLY 41 3HA GLY 41 9.218 -4.126 -39.384 224 H PHE 42 H PHE 42 9.954 -7.607 -39.621 225 HA PHE 42 HA PHE 42 10.144 -7.270 -42.533 226 HB2 PHE 42 2HB PHE 42 12.121 -8.669 -42.635 227 HB3 PHE 42 3HB PHE 42 12.429 -7.311 -41.559 228 HD1 PHE 42 HD1 PHE 42 11.860 -7.810 -39.015 229 HD2 PHE 42 HD2 PHE 42 12.775 -10.754 -41.950 230 HE1 PHE 42 HE1 PHE 42 12.527 -9.373 -37.235 231 HE2 PHE 42 HE2 PHE 42 13.442 -12.322 -40.176 232 HZ PHE 42 HZ PHE 42 13.319 -11.632 -37.815 233 H ASP 43 H ASP 43 9.502 -9.036 -43.761 234 HA ASP 43 HA ASP 43 7.791 -10.922 -42.359 235 HB2 ASP 43 2HB ASP 43 6.761 -11.344 -44.425 236 HB3 ASP 43 3HB ASP 43 7.166 -9.632 -44.501 237 H TYR 44 H TYR 44 8.059 -13.112 -42.299 238 HA TYR 44 HA TYR 44 10.078 -14.456 -43.829 239 HB2 TYR 44 2HB TYR 44 11.385 -15.225 -41.844 240 HB3 TYR 44 3HB TYR 44 11.555 -13.505 -42.181 241 HD1 TYR 44 HD1 TYR 44 10.270 -11.858 -40.771 242 HD2 TYR 44 HD2 TYR 44 10.567 -15.981 -39.763 243 HE1 TYR 44 HE1 TYR 44 9.606 -11.336 -38.460 244 HE2 TYR 44 HE2 TYR 44 9.902 -15.470 -37.451 245 HH TYR 44 HH TYR 44 9.808 -13.667 -35.919 246 H CYS 45 H CYS 45 10.032 -16.749 -43.551 247 HA CYS 45 HA CYS 45 7.427 -17.732 -42.890 248 HB2 CYS 45 2HB CYS 45 9.344 -18.545 -44.630 249 HB3 CYS 45 3HB CYS 45 9.605 -19.685 -43.316 250 HG CYS 45 HG CYS 45 6.396 -19.337 -44.221 251 H THR 46 H THR 46 6.738 -18.464 -40.997 252 HA THR 46 HA THR 46 8.464 -18.560 -38.727 253 HB THR 46 HB THR 46 6.189 -17.870 -38.384 254 HG1 THR 46 HG1 THR 46 7.347 -19.483 -36.868 255 HG21 THR 46 1HG2 THR 46 5.601 -20.102 -40.104 256 HG22 THR 46 2HG2 THR 46 4.563 -18.760 -39.622 257 HG23 THR 46 3HG2 THR 46 4.658 -20.207 -38.618 258 H LYS 47 H LYS 47 7.852 -20.755 -41.171 259 HA LYS 47 HA LYS 47 7.921 -23.180 -39.651 260 HB2 LYS 47 2HB LYS 47 8.498 -22.739 -42.586 261 HB3 LYS 47 3HB LYS 47 8.182 -24.288 -41.816 262 HG2 LYS 47 2HG LYS 47 6.119 -22.204 -41.473 263 HG3 LYS 47 3HG LYS 47 6.311 -22.873 -43.095 264 HD2 LYS 47 2HD LYS 47 4.825 -24.387 -42.274 265 HD3 LYS 47 3HD LYS 47 6.317 -25.154 -41.719 266 HE2 LYS 47 2HE LYS 47 5.851 -23.502 -39.652 267 HE3 LYS 47 3HE LYS 47 4.195 -23.782 -40.187 268 HZ1 LYS 47 3HZ LYS 47 4.228 -25.800 -39.303 269 HZ2 LYS 47 1HZ LYS 47 5.724 -25.433 -38.603 270 HZ3 LYS 47 2HZ LYS 47 5.661 -26.212 -40.103 271 H CYS 48 H CYS 48 10.275 -21.848 -41.981 272 HA CYS 48 HA CYS 48 12.393 -23.321 -40.607 273 HB2 CYS 48 2HB CYS 48 12.592 -21.755 -43.183 274 HB3 CYS 48 3HB CYS 48 13.739 -22.935 -42.564 275 HG CYS 48 HG CYS 48 11.279 -24.794 -42.681 276 H LEU 49 H LEU 49 10.989 -20.394 -40.317 277 HA LEU 49 HA LEU 49 11.595 -18.366 -39.477 278 HB2 LEU 49 2HB LEU 49 13.714 -20.145 -38.302 279 HB3 LEU 49 3HB LEU 49 13.562 -18.440 -37.883 280 HG LEU 49 HG LEU 49 11.497 -20.585 -37.391 281 HD11 LEU 49 1HD1 LEU 49 13.788 -20.110 -35.982 282 HD12 LEU 49 2HD1 LEU 49 12.317 -20.829 -35.326 283 HD13 LEU 49 3HD1 LEU 49 12.614 -19.101 -35.137 284 HD21 LEU 49 3HD2 LEU 49 11.497 -17.647 -36.710 285 HD22 LEU 49 1HD2 LEU 49 10.318 -18.827 -36.134 286 HD23 LEU 49 2HD2 LEU 49 10.431 -18.461 -37.857 287 H CYS 50 H CYS 50 12.354 -18.660 -42.089 288 HA CYS 50 HA CYS 50 14.808 -17.059 -42.154 289 HB2 CYS 50 2HB CYS 50 14.224 -19.520 -43.790 290 HB3 CYS 50 3HB CYS 50 15.370 -18.300 -44.332 291 HG CYS 50 HG CYS 50 16.740 -18.612 -41.701 292 H ASN 51 H ASN 51 15.055 -16.414 -44.701 293 HA ASN 51 HA ASN 51 13.163 -14.466 -45.182 294 HB2 ASN 51 2HB ASN 51 15.014 -15.906 -47.084 295 HB3 ASN 51 3HB ASN 51 14.022 -14.536 -47.577 296 HD21 ASN 51 1HD2 ASN 51 16.612 -15.573 -45.460 297 HD22 ASN 51 2HD2 ASN 51 17.299 -14.006 -45.222 298 H TYR 52 H TYR 52 11.056 -14.703 -45.496 299 HA TYR 52 HA TYR 52 9.706 -17.009 -46.178 300 HB2 TYR 52 2HB TYR 52 8.636 -14.990 -45.236 301 HB3 TYR 52 3HB TYR 52 8.839 -14.173 -46.782 302 HD1 TYR 52 HD1 TYR 52 7.139 -17.017 -45.119 303 HD2 TYR 52 HD2 TYR 52 7.272 -14.465 -48.521 304 HE1 TYR 52 HE1 TYR 52 4.973 -17.911 -45.868 305 HE2 TYR 52 HE2 TYR 52 5.106 -15.351 -49.278 306 HH TYR 52 HH TYR 52 3.806 -18.096 -48.318 307 H HIS 53 H HIS 53 8.689 -17.736 -48.094 308 HA HIS 53 HA HIS 53 10.304 -17.645 -50.397 309 HB2 HIS 53 2HB HIS 53 7.409 -18.502 -50.205 310 HB3 HIS 53 3HB HIS 53 8.548 -18.943 -51.475 311 HD1 HIS 53 HD1 HIS 53 9.968 -20.971 -51.082 312 HD2 HIS 53 HD2 HIS 53 8.020 -19.699 -47.640 313 HE1 HIS 53 HE1 HIS 53 10.380 -22.769 -49.372 314 H THR 54 H THR 54 10.596 -15.832 -51.529 315 HA THR 54 HA THR 54 8.202 -14.344 -52.385 316 HB THR 54 HB THR 54 9.794 -12.317 -52.479 317 HG1 THR 54 HG1 THR 54 11.567 -12.428 -51.121 318 HG21 THR 54 1HG2 THR 54 8.136 -13.368 -50.432 319 HG22 THR 54 2HG2 THR 54 8.545 -11.682 -50.748 320 HG23 THR 54 3HG2 THR 54 9.543 -12.643 -49.657 321 H THR 55 H THR 55 11.664 -14.120 -53.167 322 HA THR 55 HA THR 55 10.956 -14.331 -56.009 323 HB THR 55 HB THR 55 12.179 -12.306 -55.418 324 HG1 THR 55 HG1 THR 55 13.316 -12.474 -57.206 325 HG21 THR 55 1HG2 THR 55 14.405 -14.145 -54.529 326 HG22 THR 55 2HG2 THR 55 13.367 -13.214 -53.449 327 HG23 THR 55 3HG2 THR 55 14.450 -12.382 -54.563 328 H LYS 56 H LYS 56 13.007 -15.715 -53.515 329 HA LYS 56 HA LYS 56 13.571 -17.965 -55.322 330 HB2 LYS 56 2HB LYS 56 15.496 -16.185 -54.652 331 HB3 LYS 56 3HB LYS 56 15.649 -17.321 -53.319 332 HG2 LYS 56 2HG LYS 56 17.055 -18.365 -54.722 333 HG3 LYS 56 3HG LYS 56 15.564 -19.037 -55.391 334 HD2 LYS 56 2HD LYS 56 16.346 -16.416 -56.472 335 HD3 LYS 56 3HD LYS 56 17.455 -17.738 -56.844 336 HE2 LYS 56 2HE LYS 56 15.196 -18.986 -57.424 337 HE3 LYS 56 3HE LYS 56 14.623 -17.335 -57.660 338 HZ1 LYS 56 3HZ LYS 56 17.052 -17.463 -58.945 339 HZ2 LYS 56 1HZ LYS 56 15.522 -17.437 -59.668 340 HZ3 LYS 56 2HZ LYS 56 16.278 -18.914 -59.342 341 H ASP 57 H ASP 57 14.396 -19.905 -54.038 342 HA ASP 57 HA ASP 57 12.461 -20.785 -52.276 343 HB2 ASP 57 2HB ASP 57 14.200 -22.511 -51.584 344 HB3 ASP 57 3HB ASP 57 13.843 -22.413 -53.305 345 H CYS 58 H CYS 58 12.162 -20.759 -50.104 346 HA CYS 58 HA CYS 58 13.122 -18.689 -48.557 347 HB2 CYS 58 2HB CYS 58 11.134 -19.888 -47.910 348 HB3 CYS 58 3HB CYS 58 12.043 -21.379 -47.700 349 HG CYS 58 HG CYS 58 12.682 -18.629 -45.783 Start of MODEL 5 1 H SER 13 H SER 13 -1.214 -15.907 -29.327 2 HA SER 13 HA SER 13 -0.280 -17.636 -30.475 3 HB2 SER 13 2HB SER 13 -2.535 -16.850 -32.034 4 HB3 SER 13 3HB SER 13 -1.215 -17.233 -33.139 5 HG SER 13 HG SER 13 -1.788 -19.221 -32.779 6 H LEU 14 H LEU 14 0.652 -14.676 -30.672 7 HA LEU 14 HA LEU 14 2.062 -14.364 -33.081 8 HB2 LEU 14 2HB LEU 14 2.084 -13.126 -30.408 9 HB3 LEU 14 3HB LEU 14 3.580 -12.974 -31.326 10 HG LEU 14 HG LEU 14 2.280 -11.939 -33.173 11 HD11 LEU 14 1HD1 LEU 14 0.073 -12.731 -31.462 12 HD12 LEU 14 2HD1 LEU 14 0.079 -12.276 -33.165 13 HD13 LEU 14 3HD1 LEU 14 -0.003 -11.030 -31.920 14 HD21 LEU 14 3HD2 LEU 14 1.664 -9.842 -31.719 15 HD22 LEU 14 1HD2 LEU 14 3.345 -10.332 -31.932 16 HD23 LEU 14 2HD2 LEU 14 2.486 -10.749 -30.449 17 H LYS 15 H LYS 15 4.356 -14.498 -33.455 18 HA LYS 15 HA LYS 15 5.548 -16.804 -32.084 19 HB2 LYS 15 2HB LYS 15 5.492 -15.880 -34.838 20 HB3 LYS 15 3HB LYS 15 7.136 -16.185 -34.291 21 HG2 LYS 15 2HG LYS 15 6.026 -18.128 -35.381 22 HG3 LYS 15 3HG LYS 15 6.622 -18.445 -33.750 23 HD2 LYS 15 2HD LYS 15 4.538 -18.708 -32.897 24 HD3 LYS 15 3HD LYS 15 3.831 -17.495 -33.966 25 HE2 LYS 15 2HE LYS 15 2.977 -19.182 -35.142 26 HE3 LYS 15 3HE LYS 15 4.621 -19.545 -35.666 27 HZ1 LYS 15 3HZ LYS 15 4.131 -21.532 -34.758 28 HZ2 LYS 15 1HZ LYS 15 2.950 -20.911 -33.719 29 HZ3 LYS 15 2HZ LYS 15 4.587 -20.772 -33.316 30 H ALA 16 H ALA 16 7.992 -16.742 -31.946 31 HA ALA 16 HA ALA 16 8.792 -14.124 -30.880 32 HB1 ALA 16 3HB ALA 16 10.263 -15.227 -29.425 33 HB2 ALA 16 1HB ALA 16 8.802 -16.216 -29.426 34 HB3 ALA 16 2HB ALA 16 10.209 -16.720 -30.363 35 H CYS 17 H CYS 17 10.138 -12.934 -32.048 36 HA CYS 17 HA CYS 17 11.244 -13.626 -34.475 37 HB2 CYS 17 2HB CYS 17 11.031 -11.310 -33.411 38 HB3 CYS 17 3HB CYS 17 12.552 -11.661 -32.600 39 HG CYS 17 HG CYS 17 12.716 -12.197 -35.881 40 H ILE 18 H ILE 18 13.386 -14.106 -35.153 41 HA ILE 18 HA ILE 18 14.716 -15.981 -33.399 42 HB ILE 18 HB ILE 18 16.127 -16.514 -35.297 43 HG12 ILE 18 2HG1 ILE 18 14.725 -14.231 -36.706 44 HG13 ILE 18 3HG1 ILE 18 16.403 -14.228 -36.172 45 HG21 ILE 18 1HG2 ILE 18 14.469 -17.820 -35.977 46 HG22 ILE 18 2HG2 ILE 18 13.294 -16.717 -35.260 47 HG23 ILE 18 3HG2 ILE 18 13.813 -16.490 -36.931 48 HD11 ILE 18 3HD1 ILE 18 17.043 -15.180 -38.058 49 HD12 ILE 18 1HD1 ILE 18 15.920 -16.517 -37.816 50 HD13 ILE 18 2HD1 ILE 18 15.385 -15.053 -38.643 51 H ARG 19 H ARG 19 14.789 -12.798 -33.387 52 HA ARG 19 HA ARG 19 17.708 -12.560 -33.119 53 HB2 ARG 19 2HB ARG 19 15.650 -10.356 -33.331 54 HB3 ARG 19 3HB ARG 19 17.397 -10.157 -33.333 55 HG2 ARG 19 2HG ARG 19 17.245 -11.762 -35.411 56 HG3 ARG 19 3HG ARG 19 15.595 -11.138 -35.480 57 HD2 ARG 19 2HD ARG 19 16.675 -9.597 -36.787 58 HD3 ARG 19 3HD ARG 19 16.806 -8.823 -35.209 59 HE ARG 19 HE ARG 19 19.046 -10.478 -35.661 60 HH11 ARG 19 1HH1 ARG 19 17.641 -7.459 -36.678 61 HH12 ARG 19 2HH1 ARG 19 19.164 -6.736 -37.079 62 HH21 ARG 19 1HH2 ARG 19 21.058 -9.537 -36.185 63 HH22 ARG 19 2HH2 ARG 19 21.105 -7.918 -36.799 64 H CYS 20 H CYS 20 14.754 -11.294 -31.564 65 HA CYS 20 HA CYS 20 16.066 -11.672 -28.962 66 HB2 CYS 20 2HB CYS 20 14.873 -9.526 -28.246 67 HB3 CYS 20 3HB CYS 20 16.286 -9.344 -29.278 68 HG CYS 20 HG CYS 20 13.320 -8.136 -29.724 69 H ASN 21 H ASN 21 13.964 -13.107 -30.574 70 HA ASN 21 HA ASN 21 11.937 -14.112 -30.283 71 HB2 ASN 21 2HB ASN 21 12.889 -13.763 -27.442 72 HB3 ASN 21 3HB ASN 21 11.406 -14.629 -27.834 73 HD21 ASN 21 1HD2 ASN 21 11.536 -16.702 -28.385 74 HD22 ASN 21 2HD2 ASN 21 13.002 -17.561 -28.694 75 H SER 22 H SER 22 11.602 -11.494 -30.909 76 HA SER 22 HA SER 22 9.820 -10.232 -29.010 77 HB2 SER 22 2HB SER 22 9.551 -8.623 -31.076 78 HB3 SER 22 3HB SER 22 11.043 -8.614 -30.134 79 HG SER 22 HG SER 22 12.045 -9.788 -31.708 80 HA PRO 23 HA PRO 23 5.973 -11.681 -30.539 81 HB2 PRO 23 2HB PRO 23 4.421 -9.458 -30.395 82 HB3 PRO 23 3HB PRO 23 4.959 -10.347 -28.966 83 HG2 PRO 23 2HG PRO 23 6.078 -7.847 -30.172 84 HG3 PRO 23 3HG PRO 23 5.793 -8.235 -28.465 85 HD2 PRO 23 2HD PRO 23 8.242 -8.398 -29.607 86 HD3 PRO 23 3HD PRO 23 7.728 -9.476 -28.295 87 H ALA 24 H ALA 24 6.132 -12.230 -32.669 88 HA ALA 24 HA ALA 24 5.884 -10.081 -34.664 89 HB1 ALA 24 3HB ALA 24 6.444 -12.578 -35.898 90 HB2 ALA 24 1HB ALA 24 7.464 -11.142 -35.801 91 HB3 ALA 24 2HB ALA 24 7.549 -12.372 -34.538 92 H LYS 25 H LYS 25 4.154 -9.971 -35.978 93 HA LYS 25 HA LYS 25 1.776 -11.302 -35.343 94 HB2 LYS 25 2HB LYS 25 2.623 -9.278 -37.169 95 HB3 LYS 25 3HB LYS 25 1.648 -10.446 -38.053 96 HG2 LYS 25 2HG LYS 25 0.683 -9.353 -35.446 97 HG3 LYS 25 3HG LYS 25 0.507 -8.415 -36.931 98 HD2 LYS 25 2HD LYS 25 -1.412 -9.543 -37.194 99 HD3 LYS 25 3HD LYS 25 -0.385 -10.888 -37.695 100 HE2 LYS 25 2HE LYS 25 -0.376 -11.015 -34.924 101 HE3 LYS 25 3HE LYS 25 -2.038 -10.590 -35.330 102 HZ1 LYS 25 3HZ LYS 25 -2.069 -12.487 -36.870 103 HZ2 LYS 25 1HZ LYS 25 -1.800 -12.965 -35.270 104 HZ3 LYS 25 2HZ LYS 25 -0.513 -12.918 -36.365 105 H TYR 26 H TYR 26 1.754 -13.487 -35.416 106 HA TYR 26 HA TYR 26 2.941 -14.955 -37.586 107 HB2 TYR 26 2HB TYR 26 3.017 -16.023 -35.468 108 HB3 TYR 26 3HB TYR 26 1.299 -15.760 -35.189 109 HD1 TYR 26 HD1 TYR 26 3.251 -17.251 -38.012 110 HD2 TYR 26 HD2 TYR 26 0.172 -17.767 -35.122 111 HE1 TYR 26 HE1 TYR 26 2.768 -19.479 -38.935 112 HE2 TYR 26 HE2 TYR 26 -0.321 -19.998 -36.036 113 HH TYR 26 HH TYR 26 0.974 -21.774 -37.354 114 H ASP 27 H ASP 27 1.986 -15.734 -39.369 115 HA ASP 27 HA ASP 27 -0.944 -15.535 -39.576 116 HB2 ASP 27 2HB ASP 27 1.039 -14.130 -41.107 117 HB3 ASP 27 3HB ASP 27 0.143 -15.215 -42.166 118 H CYS 28 H CYS 28 -1.342 -17.696 -39.292 119 HA CYS 28 HA CYS 28 0.111 -19.827 -40.325 120 HB2 CYS 28 2HB CYS 28 -1.957 -21.159 -40.011 121 HB3 CYS 28 3HB CYS 28 -1.581 -20.153 -38.618 122 HG CYS 28 HG CYS 28 -4.199 -19.799 -38.616 123 H TYR 29 H TYR 29 -2.055 -17.659 -41.899 124 HA TYR 29 HA TYR 29 -3.019 -19.120 -44.025 125 HB2 TYR 29 2HB TYR 29 -2.830 -16.394 -43.345 126 HB3 TYR 29 3HB TYR 29 -2.145 -16.537 -44.959 127 HD1 TYR 29 HD2 TYR 29 -5.173 -17.127 -42.929 128 HD2 TYR 29 HD1 TYR 29 -3.528 -16.964 -46.850 129 HE1 TYR 29 HE2 TYR 29 -7.441 -17.193 -43.877 130 HE2 TYR 29 HE1 TYR 29 -5.792 -17.028 -47.808 131 HH TYR 29 HH TYR 29 -8.504 -16.365 -46.163 132 H LEU 30 H LEU 30 0.103 -17.435 -43.799 133 HA LEU 30 HA LEU 30 1.050 -19.088 -46.047 134 HB2 LEU 30 2HB LEU 30 2.012 -16.319 -45.351 135 HB3 LEU 30 3HB LEU 30 2.476 -17.286 -46.751 136 HG LEU 30 HG LEU 30 -0.196 -15.989 -46.233 137 HD11 LEU 30 1HD1 LEU 30 0.482 -14.345 -47.573 138 HD12 LEU 30 2HD1 LEU 30 1.154 -15.474 -48.749 139 HD13 LEU 30 3HD1 LEU 30 2.115 -14.977 -47.356 140 HD21 LEU 30 3HD2 LEU 30 0.479 -18.302 -47.828 141 HD22 LEU 30 1HD2 LEU 30 -0.146 -16.988 -48.827 142 HD23 LEU 30 2HD2 LEU 30 -1.100 -17.598 -47.473 143 H GLN 31 H GLN 31 1.176 -19.089 -42.921 144 HA GLN 31 HA GLN 31 2.661 -19.668 -41.292 145 HB2 GLN 31 2HB GLN 31 3.829 -20.977 -43.737 146 HB3 GLN 31 3HB GLN 31 4.563 -21.173 -42.151 147 HG2 GLN 31 2HG GLN 31 3.234 -22.993 -42.120 148 HG3 GLN 31 3HG GLN 31 2.066 -21.821 -41.513 149 HE21 GLN 31 1HE2 GLN 31 0.343 -23.058 -42.273 150 HE22 GLN 31 2HE2 GLN 31 -0.056 -23.137 -43.952 151 H ARG 32 H ARG 32 3.017 -17.099 -41.852 152 HA ARG 32 HA ARG 32 5.939 -16.782 -41.783 153 HB2 ARG 32 2HB ARG 32 5.877 -14.854 -43.154 154 HB3 ARG 32 3HB ARG 32 4.904 -16.061 -43.984 155 HG2 ARG 32 2HG ARG 32 2.929 -14.917 -42.713 156 HG3 ARG 32 3HG ARG 32 4.055 -13.562 -42.604 157 HD2 ARG 32 2HD ARG 32 3.517 -14.932 -45.216 158 HD3 ARG 32 3HD ARG 32 2.446 -13.669 -44.612 159 HE ARG 32 HE ARG 32 5.223 -12.923 -44.653 160 HH11 ARG 32 1HH1 ARG 32 2.264 -13.077 -46.480 161 HH12 ARG 32 2HH1 ARG 32 2.721 -11.813 -47.574 162 HH21 ARG 32 1HH2 ARG 32 5.837 -11.260 -46.087 163 HH22 ARG 32 2HH2 ARG 32 4.754 -10.781 -47.350 164 H ALA 33 H ALA 33 6.658 -14.825 -40.671 165 HA ALA 33 HA ALA 33 4.684 -13.717 -38.799 166 HB1 ALA 33 3HB ALA 33 6.218 -15.645 -37.896 167 HB2 ALA 33 1HB ALA 33 7.411 -14.352 -37.778 168 HB3 ALA 33 2HB ALA 33 5.881 -14.224 -36.909 169 H THR 34 H THR 34 5.001 -11.600 -38.215 170 HA THR 34 HA THR 34 7.283 -10.226 -39.482 171 HB THR 34 HB THR 34 4.928 -8.554 -38.990 172 HG1 THR 34 HG1 THR 34 3.599 -9.490 -40.459 173 HG21 THR 34 1HG2 THR 34 5.491 -7.636 -41.106 174 HG22 THR 34 2HG2 THR 34 6.424 -9.064 -41.555 175 HG23 THR 34 3HG2 THR 34 7.019 -7.982 -40.296 176 H CYS 35 H CYS 35 8.641 -9.538 -37.970 177 HA CYS 35 HA CYS 35 8.150 -9.349 -35.251 178 HB2 CYS 35 2HB CYS 35 10.404 -9.388 -36.296 179 HB3 CYS 35 3HB CYS 35 10.159 -7.729 -36.828 180 HG CYS 35 HG CYS 35 9.923 -8.445 -33.516 181 H LYS 36 H LYS 36 7.110 -7.946 -33.999 182 HA LYS 36 HA LYS 36 5.769 -5.693 -35.151 183 HB2 LYS 36 2HB LYS 36 5.934 -6.846 -32.379 184 HB3 LYS 36 3HB LYS 36 5.140 -5.304 -32.672 185 HG2 LYS 36 2HG LYS 36 4.382 -7.760 -34.212 186 HG3 LYS 36 3HG LYS 36 3.703 -7.421 -32.618 187 HD2 LYS 36 2HD LYS 36 2.145 -6.273 -33.755 188 HD3 LYS 36 3HD LYS 36 3.386 -5.024 -33.879 189 HE2 LYS 36 2HE LYS 36 3.769 -5.434 -36.074 190 HE3 LYS 36 3HE LYS 36 3.466 -7.163 -35.914 191 HZ1 LYS 36 3HZ LYS 36 1.102 -6.718 -35.839 192 HZ2 LYS 36 1HZ LYS 36 1.770 -6.062 -37.247 193 HZ3 LYS 36 2HZ LYS 36 1.377 -5.052 -35.948 194 H ARG 37 H ARG 37 8.709 -6.194 -33.383 195 HA ARG 37 HA ARG 37 9.172 -3.722 -32.247 196 HB2 ARG 37 2HB ARG 37 10.615 -5.835 -32.157 197 HB3 ARG 37 3HB ARG 37 11.324 -5.281 -33.667 198 HG2 ARG 37 2HG ARG 37 12.029 -3.207 -32.561 199 HG3 ARG 37 3HG ARG 37 11.350 -3.802 -31.044 200 HD2 ARG 37 2HD ARG 37 13.008 -5.347 -30.748 201 HD3 ARG 37 3HD ARG 37 13.290 -5.534 -32.478 202 HE ARG 37 HE ARG 37 14.054 -2.963 -31.427 203 HH11 ARG 37 1HH1 ARG 37 15.061 -6.238 -32.042 204 HH12 ARG 37 2HH1 ARG 37 16.749 -5.851 -32.078 205 HH21 ARG 37 1HH2 ARG 37 16.274 -2.440 -31.471 206 HH22 ARG 37 2HH2 ARG 37 17.438 -3.690 -31.751 207 H GLU 38 H GLU 38 9.105 -1.763 -33.106 208 HA GLU 38 HA GLU 38 8.950 -1.148 -35.798 209 HB2 GLU 38 2HB GLU 38 8.307 0.407 -34.013 210 HB3 GLU 38 3HB GLU 38 9.996 0.600 -33.564 211 HG2 GLU 38 2HG GLU 38 9.226 2.488 -34.869 212 HG3 GLU 38 3HG GLU 38 10.470 1.591 -35.739 213 H GLY 39 H GLY 39 11.755 -1.707 -33.814 214 HA2 GLY 39 2HA GLY 39 13.672 -0.496 -35.530 215 HA3 GLY 39 3HA GLY 39 14.008 -1.679 -34.275 216 H CYS 40 H CYS 40 12.113 -3.613 -35.508 217 HA CYS 40 HA CYS 40 13.930 -4.562 -37.610 218 HB2 CYS 40 2HB CYS 40 12.447 -5.859 -35.457 219 HB3 CYS 40 3HB CYS 40 12.210 -6.651 -37.010 220 HG CYS 40 HG CYS 40 15.244 -6.456 -37.234 221 H GLY 41 H GLY 41 10.513 -5.304 -36.988 222 HA2 GLY 41 2HA GLY 41 8.731 -5.438 -38.434 223 HA3 GLY 41 3HA GLY 41 9.307 -3.881 -39.013 224 H PHE 42 H PHE 42 10.139 -7.335 -39.320 225 HA PHE 42 HA PHE 42 10.350 -6.923 -42.222 226 HB2 PHE 42 2HB PHE 42 12.335 -8.292 -42.339 227 HB3 PHE 42 3HB PHE 42 12.617 -6.993 -41.185 228 HD1 PHE 42 HD1 PHE 42 11.950 -7.642 -38.684 229 HD2 PHE 42 HD2 PHE 42 13.018 -10.395 -41.749 230 HE1 PHE 42 HE1 PHE 42 12.580 -9.295 -36.975 231 HE2 PHE 42 HE2 PHE 42 13.649 -12.053 -40.044 232 HZ PHE 42 HZ PHE 42 13.429 -11.505 -37.655 233 H ASP 43 H ASP 43 9.695 -8.631 -43.506 234 HA ASP 43 HA ASP 43 7.980 -10.567 -42.184 235 HB2 ASP 43 2HB ASP 43 6.996 -10.950 -44.294 236 HB3 ASP 43 3HB ASP 43 7.339 -9.223 -44.266 237 H TYR 44 H TYR 44 8.234 -12.766 -42.223 238 HA TYR 44 HA TYR 44 10.263 -14.061 -43.771 239 HB2 TYR 44 2HB TYR 44 11.575 -14.883 -41.814 240 HB3 TYR 44 3HB TYR 44 11.737 -13.151 -42.091 241 HD1 TYR 44 HD2 TYR 44 10.442 -11.563 -40.623 242 HD2 TYR 44 HD1 TYR 44 10.759 -15.719 -39.763 243 HE1 TYR 44 HE2 TYR 44 9.777 -11.127 -38.295 244 HE2 TYR 44 HE1 TYR 44 10.093 -15.293 -37.434 245 HH TYR 44 HH TYR 44 9.740 -12.037 -36.189 246 H CYS 45 H CYS 45 10.467 -16.424 -43.078 247 HA CYS 45 HA CYS 45 7.794 -17.459 -42.748 248 HB2 CYS 45 2HB CYS 45 9.976 -18.307 -44.162 249 HB3 CYS 45 3HB CYS 45 10.026 -19.378 -42.767 250 HG CYS 45 HG CYS 45 7.174 -19.998 -43.230 251 H THR 46 H THR 46 7.050 -18.769 -41.094 252 HA THR 46 HA THR 46 8.394 -18.389 -38.544 253 HB THR 46 HB THR 46 6.022 -17.943 -38.563 254 HG1 THR 46 HG1 THR 46 7.145 -19.325 -36.806 255 HG21 THR 46 1HG2 THR 46 5.902 -20.146 -40.310 256 HG22 THR 46 2HG2 THR 46 4.567 -19.130 -39.764 257 HG23 THR 46 3HG2 THR 46 4.975 -20.599 -38.880 258 H LYS 47 H LYS 47 8.036 -20.814 -40.925 259 HA LYS 47 HA LYS 47 8.467 -23.051 -39.155 260 HB2 LYS 47 2HB LYS 47 8.720 -23.012 -42.162 261 HB3 LYS 47 3HB LYS 47 8.446 -24.409 -41.131 262 HG2 LYS 47 2HG LYS 47 6.499 -22.134 -41.430 263 HG3 LYS 47 3HG LYS 47 6.438 -23.624 -42.373 264 HD2 LYS 47 2HD LYS 47 6.672 -24.282 -39.603 265 HD3 LYS 47 3HD LYS 47 5.350 -23.130 -39.811 266 HE2 LYS 47 2HE LYS 47 4.349 -24.556 -41.505 267 HE3 LYS 47 3HE LYS 47 5.694 -25.689 -41.373 268 HZ1 LYS 47 3HZ LYS 47 5.063 -26.094 -39.067 269 HZ2 LYS 47 1HZ LYS 47 3.794 -26.466 -40.123 270 HZ3 LYS 47 2HZ LYS 47 3.753 -25.035 -39.223 271 H CYS 48 H CYS 48 10.346 -21.875 -41.952 272 HA CYS 48 HA CYS 48 12.736 -23.135 -41.008 273 HB2 CYS 48 2HB CYS 48 12.375 -21.098 -43.217 274 HB3 CYS 48 3HB CYS 48 13.804 -22.090 -42.953 275 HG CYS 48 HG CYS 48 12.203 -24.503 -43.314 276 H LEU 49 H LEU 49 11.202 -20.199 -40.328 277 HA LEU 49 HA LEU 49 11.789 -18.347 -39.146 278 HB2 LEU 49 2HB LEU 49 13.746 -20.394 -38.202 279 HB3 LEU 49 3HB LEU 49 13.923 -18.720 -37.678 280 HG LEU 49 HG LEU 49 11.516 -20.477 -37.203 281 HD11 LEU 49 1HD1 LEU 49 12.325 -20.976 -35.165 282 HD12 LEU 49 2HD1 LEU 49 13.082 -19.397 -34.960 283 HD13 LEU 49 3HD1 LEU 49 13.885 -20.640 -35.918 284 HD21 LEU 49 3HD2 LEU 49 11.626 -18.143 -35.567 285 HD22 LEU 49 1HD2 LEU 49 10.378 -18.639 -36.710 286 HD23 LEU 49 2HD2 LEU 49 11.741 -17.664 -37.262 287 H CYS 50 H CYS 50 12.930 -18.842 -41.857 288 HA CYS 50 HA CYS 50 15.238 -17.020 -41.664 289 HB2 CYS 50 2HB CYS 50 15.116 -19.570 -42.839 290 HB3 CYS 50 3HB CYS 50 15.123 -18.432 -44.180 291 HG CYS 50 HG CYS 50 17.419 -17.953 -41.747 292 H ASN 51 H ASN 51 15.561 -16.068 -44.078 293 HA ASN 51 HA ASN 51 13.642 -14.116 -44.415 294 HB2 ASN 51 2HB ASN 51 15.307 -15.193 -46.691 295 HB3 ASN 51 3HB ASN 51 14.727 -13.545 -46.457 296 HD21 ASN 51 1HD2 ASN 51 15.377 -13.059 -43.865 297 HD22 ASN 51 2HD2 ASN 51 17.094 -13.090 -43.671 298 H TYR 52 H TYR 52 11.697 -13.999 -45.348 299 HA TYR 52 HA TYR 52 10.194 -16.209 -46.020 300 HB2 TYR 52 2HB TYR 52 9.375 -13.856 -45.548 301 HB3 TYR 52 3HB TYR 52 9.760 -13.474 -47.223 302 HD1 TYR 52 HD1 TYR 52 7.712 -15.756 -45.116 303 HD2 TYR 52 HD2 TYR 52 8.216 -13.925 -48.923 304 HE1 TYR 52 HE1 TYR 52 5.507 -16.599 -45.807 305 HE2 TYR 52 HE2 TYR 52 6.013 -14.761 -49.624 306 HH TYR 52 HH TYR 52 4.298 -16.098 -49.098 307 H HIS 53 H HIS 53 9.391 -17.009 -48.029 308 HA HIS 53 HA HIS 53 11.300 -17.641 -49.918 309 HB2 HIS 53 2HB HIS 53 8.303 -17.484 -50.299 310 HB3 HIS 53 3HB HIS 53 9.417 -18.324 -51.373 311 HD1 HIS 53 HD1 HIS 53 9.856 -20.712 -50.843 312 HD2 HIS 53 HD2 HIS 53 8.273 -18.655 -47.599 313 HE1 HIS 53 HE1 HIS 53 9.447 -22.455 -49.077 314 H THR 54 H THR 54 8.507 -15.626 -50.794 315 HA THR 54 HA THR 54 8.285 -13.908 -52.274 316 HB THR 54 HB THR 54 10.891 -12.698 -52.037 317 HG1 THR 54 HG1 THR 54 10.716 -12.413 -49.694 318 HG21 THR 54 1HG2 THR 54 8.948 -11.390 -52.504 319 HG22 THR 54 2HG2 THR 54 9.518 -10.923 -50.901 320 HG23 THR 54 3HG2 THR 54 8.125 -11.992 -51.067 321 H THR 55 H THR 55 9.617 -16.434 -53.151 322 HA THR 55 HA THR 55 10.186 -15.682 -55.806 323 HB THR 55 HB THR 55 12.681 -16.828 -55.282 324 HG1 THR 55 HG1 THR 55 12.263 -16.149 -53.045 325 HG21 THR 55 1HG2 THR 55 13.469 -15.013 -56.421 326 HG22 THR 55 2HG2 THR 55 12.467 -13.875 -55.520 327 HG23 THR 55 3HG2 THR 55 11.756 -14.851 -56.806 328 H LYS 56 H LYS 56 11.487 -17.658 -56.898 329 HA LYS 56 HA LYS 56 9.814 -19.850 -56.848 330 HB2 LYS 56 2HB LYS 56 12.582 -19.368 -57.833 331 HB3 LYS 56 3HB LYS 56 12.031 -21.036 -57.743 332 HG2 LYS 56 2HG LYS 56 11.587 -20.282 -59.937 333 HG3 LYS 56 3HG LYS 56 10.035 -20.346 -59.099 334 HD2 LYS 56 2HD LYS 56 10.099 -18.307 -60.337 335 HD3 LYS 56 3HD LYS 56 10.287 -17.896 -58.630 336 HE2 LYS 56 2HE LYS 56 11.833 -16.641 -60.080 337 HE3 LYS 56 3HE LYS 56 12.678 -17.661 -58.917 338 HZ1 LYS 56 3HZ LYS 56 12.147 -18.513 -61.704 339 HZ2 LYS 56 1HZ LYS 56 13.204 -19.217 -60.587 340 HZ3 LYS 56 2HZ LYS 56 13.560 -17.702 -61.249 341 H ASP 57 H ASP 57 12.869 -19.387 -55.107 342 HA ASP 57 HA ASP 57 12.118 -21.647 -53.374 343 HB2 ASP 57 2HB ASP 57 14.679 -21.892 -53.070 344 HB3 ASP 57 3HB ASP 57 13.944 -22.521 -54.542 345 H CYS 58 H CYS 58 13.362 -21.550 -51.238 346 HA CYS 58 HA CYS 58 13.119 -18.818 -50.213 347 HB2 CYS 58 2HB CYS 58 11.783 -20.402 -49.009 348 HB3 CYS 58 3HB CYS 58 13.140 -21.508 -48.841 349 HG CYS 58 HG CYS 58 14.107 -18.740 -47.484 Start of MODEL 6 1 H SER 13 H SER 13 -0.216 -16.282 -28.789 2 HA SER 13 HA SER 13 0.186 -17.811 -30.426 3 HB2 SER 13 2HB SER 13 -2.247 -16.690 -31.123 4 HB3 SER 13 3HB SER 13 -1.292 -16.526 -32.596 5 HG SER 13 HG SER 13 -1.777 -18.910 -31.134 6 H LEU 14 H LEU 14 1.461 -14.966 -30.277 7 HA LEU 14 HA LEU 14 2.483 -14.567 -32.935 8 HB2 LEU 14 2HB LEU 14 2.748 -13.260 -30.303 9 HB3 LEU 14 3HB LEU 14 4.128 -13.098 -31.387 10 HG LEU 14 HG LEU 14 2.524 -12.195 -33.110 11 HD11 LEU 14 1HD1 LEU 14 0.349 -12.330 -32.712 12 HD12 LEU 14 2HD1 LEU 14 0.551 -11.188 -31.383 13 HD13 LEU 14 3HD1 LEU 14 0.645 -12.923 -31.078 14 HD21 LEU 14 3HD2 LEU 14 2.177 -10.031 -31.549 15 HD22 LEU 14 1HD2 LEU 14 3.716 -10.461 -32.293 16 HD23 LEU 14 2HD2 LEU 14 3.399 -10.893 -30.613 17 H LYS 15 H LYS 15 4.873 -14.462 -33.315 18 HA LYS 15 HA LYS 15 6.153 -16.825 -32.117 19 HB2 LYS 15 2HB LYS 15 6.954 -15.489 -34.698 20 HB3 LYS 15 3HB LYS 15 7.388 -17.096 -34.130 21 HG2 LYS 15 2HG LYS 15 4.673 -16.172 -35.044 22 HG3 LYS 15 3HG LYS 15 5.757 -17.289 -35.876 23 HD2 LYS 15 2HD LYS 15 4.466 -17.758 -33.189 24 HD3 LYS 15 3HD LYS 15 3.953 -18.476 -34.718 25 HE2 LYS 15 2HE LYS 15 6.606 -19.111 -34.659 26 HE3 LYS 15 3HE LYS 15 6.183 -19.183 -32.949 27 HZ1 LYS 15 3HZ LYS 15 5.904 -21.307 -34.204 28 HZ2 LYS 15 1HZ LYS 15 4.642 -20.578 -35.062 29 HZ3 LYS 15 2HZ LYS 15 4.517 -20.785 -33.388 30 H ALA 16 H ALA 16 8.610 -16.693 -32.115 31 HA ALA 16 HA ALA 16 9.390 -14.075 -31.021 32 HB1 ALA 16 3HB ALA 16 10.350 -16.861 -30.441 33 HB2 ALA 16 1HB ALA 16 11.255 -15.430 -29.943 34 HB3 ALA 16 2HB ALA 16 9.620 -15.695 -29.336 35 H CYS 17 H CYS 17 10.489 -12.875 -32.423 36 HA CYS 17 HA CYS 17 11.649 -13.664 -34.787 37 HB2 CYS 17 2HB CYS 17 11.227 -11.290 -33.846 38 HB3 CYS 17 3HB CYS 17 12.839 -11.436 -33.155 39 HG CYS 17 HG CYS 17 13.390 -12.288 -36.139 40 H ILE 18 H ILE 18 13.753 -14.138 -35.466 41 HA ILE 18 HA ILE 18 15.309 -15.621 -33.538 42 HB ILE 18 HB ILE 18 16.732 -16.228 -35.445 43 HG12 ILE 18 2HG1 ILE 18 14.893 -14.413 -37.020 44 HG13 ILE 18 3HG1 ILE 18 16.600 -14.128 -36.695 45 HG21 ILE 18 1HG2 ILE 18 15.054 -17.486 -36.707 46 HG22 ILE 18 2HG2 ILE 18 14.739 -17.544 -34.973 47 HG23 ILE 18 3HG2 ILE 18 13.781 -16.485 -36.008 48 HD11 ILE 18 3HD1 ILE 18 16.437 -16.662 -37.884 49 HD12 ILE 18 1HD1 ILE 18 15.382 -15.601 -38.815 50 HD13 ILE 18 2HD1 ILE 18 17.077 -15.174 -38.579 51 H ARG 19 H ARG 19 15.124 -12.450 -34.105 52 HA ARG 19 HA ARG 19 18.001 -11.922 -34.051 53 HB2 ARG 19 2HB ARG 19 15.686 -9.986 -34.234 54 HB3 ARG 19 3HB ARG 19 17.389 -9.577 -34.389 55 HG2 ARG 19 2HG ARG 19 17.191 -11.453 -36.303 56 HG3 ARG 19 3HG ARG 19 15.549 -10.805 -36.331 57 HD2 ARG 19 2HD ARG 19 16.640 -9.445 -37.849 58 HD3 ARG 19 3HD ARG 19 16.730 -8.498 -36.364 59 HE ARG 19 HE ARG 19 18.998 -8.675 -36.467 60 HH11 ARG 19 1HH1 ARG 19 17.604 -11.256 -38.342 61 HH12 ARG 19 2HH1 ARG 19 19.131 -11.833 -38.923 62 HH21 ARG 19 1HH2 ARG 19 21.013 -9.425 -37.226 63 HH22 ARG 19 2HH2 ARG 19 21.069 -10.792 -38.287 64 H CYS 20 H CYS 20 15.091 -10.879 -32.268 65 HA CYS 20 HA CYS 20 16.651 -10.959 -29.793 66 HB2 CYS 20 2HB CYS 20 15.528 -8.769 -29.126 67 HB3 CYS 20 3HB CYS 20 16.822 -8.658 -30.314 68 HG CYS 20 HG CYS 20 13.733 -7.608 -30.537 69 H ASN 21 H ASN 21 14.453 -12.535 -31.089 70 HA ASN 21 HA ASN 21 12.476 -13.534 -30.548 71 HB2 ASN 21 2HB ASN 21 13.252 -12.818 -27.714 72 HB3 ASN 21 3HB ASN 21 12.205 -14.138 -28.226 73 HD21 ASN 21 1HD2 ASN 21 13.117 -15.959 -29.197 74 HD22 ASN 21 2HD2 ASN 21 14.800 -16.321 -29.050 75 H SER 22 H SER 22 11.892 -11.151 -31.491 76 HA SER 22 HA SER 22 10.257 -9.688 -29.572 77 HB2 SER 22 2HB SER 22 11.000 -7.978 -30.826 78 HB3 SER 22 3HB SER 22 11.577 -9.069 -32.087 79 HG SER 22 HG SER 22 9.526 -9.070 -32.984 80 HA PRO 23 HA PRO 23 6.367 -11.322 -30.768 81 HB2 PRO 23 2HB PRO 23 4.783 -9.117 -30.798 82 HB3 PRO 23 3HB PRO 23 5.398 -9.837 -29.306 83 HG2 PRO 23 2HG PRO 23 6.418 -7.470 -30.828 84 HG3 PRO 23 3HG PRO 23 6.215 -7.671 -29.078 85 HD2 PRO 23 2HD PRO 23 8.616 -7.926 -30.304 86 HD3 PRO 23 3HD PRO 23 8.176 -8.861 -28.859 87 H ALA 24 H ALA 24 6.209 -12.112 -32.788 88 HA ALA 24 HA ALA 24 5.913 -10.196 -35.007 89 HB1 ALA 24 3HB ALA 24 6.479 -12.911 -35.837 90 HB2 ALA 24 1HB ALA 24 7.319 -11.411 -36.232 91 HB3 ALA 24 2HB ALA 24 7.719 -12.283 -34.751 92 H LYS 25 H LYS 25 3.992 -10.094 -35.957 93 HA LYS 25 HA LYS 25 1.752 -11.507 -35.121 94 HB2 LYS 25 2HB LYS 25 1.507 -9.416 -36.284 95 HB3 LYS 25 3HB LYS 25 2.292 -10.063 -37.719 96 HG2 LYS 25 2HG LYS 25 -0.137 -9.884 -37.980 97 HG3 LYS 25 3HG LYS 25 0.429 -11.549 -38.116 98 HD2 LYS 25 2HD LYS 25 -1.591 -11.460 -36.775 99 HD3 LYS 25 3HD LYS 25 -0.219 -11.940 -35.773 100 HE2 LYS 25 2HE LYS 25 -1.714 -10.282 -34.689 101 HE3 LYS 25 3HE LYS 25 -0.048 -9.730 -34.852 102 HZ1 LYS 25 3HZ LYS 25 -0.664 -8.058 -36.168 103 HZ2 LYS 25 1HZ LYS 25 -2.241 -8.348 -35.627 104 HZ3 LYS 25 2HZ LYS 25 -1.710 -9.020 -37.085 105 H TYR 26 H TYR 26 1.425 -13.623 -35.257 106 HA TYR 26 HA TYR 26 2.626 -15.188 -37.377 107 HB2 TYR 26 2HB TYR 26 2.705 -16.203 -35.230 108 HB3 TYR 26 3HB TYR 26 0.996 -15.899 -34.941 109 HD1 TYR 26 HD2 TYR 26 2.646 -17.363 -37.942 110 HD2 TYR 26 HD1 TYR 26 0.073 -18.016 -34.617 111 HE1 TYR 26 HE2 TYR 26 2.107 -19.601 -38.807 112 HE2 TYR 26 HE1 TYR 26 -0.473 -20.257 -35.471 113 HH TYR 26 HH TYR 26 0.003 -21.811 -37.001 114 H ASP 27 H ASP 27 1.646 -15.851 -39.175 115 HA ASP 27 HA ASP 27 -1.280 -15.542 -39.358 116 HB2 ASP 27 2HB ASP 27 0.828 -14.481 -41.016 117 HB3 ASP 27 3HB ASP 27 -0.218 -15.534 -41.965 118 H CYS 28 H CYS 28 -1.664 -17.690 -38.733 119 HA CYS 28 HA CYS 28 -0.456 -19.980 -39.673 120 HB2 CYS 28 2HB CYS 28 -2.649 -21.111 -39.204 121 HB3 CYS 28 3HB CYS 28 -2.041 -20.122 -37.883 122 HG CYS 28 HG CYS 28 -4.727 -19.694 -37.831 123 H TYR 29 H TYR 29 -2.684 -17.870 -41.294 124 HA TYR 29 HA TYR 29 -3.761 -19.469 -43.253 125 HB2 TYR 29 2HB TYR 29 -3.538 -16.710 -42.784 126 HB3 TYR 29 3HB TYR 29 -2.904 -16.961 -44.407 127 HD1 TYR 29 HD1 TYR 29 -5.866 -17.465 -42.247 128 HD2 TYR 29 HD2 TYR 29 -4.348 -17.448 -46.222 129 HE1 TYR 29 HE1 TYR 29 -8.163 -17.581 -43.118 130 HE2 TYR 29 HE2 TYR 29 -6.642 -17.563 -47.104 131 HH TYR 29 HH TYR 29 -9.341 -18.254 -45.121 132 H LEU 30 H LEU 30 -0.588 -17.880 -43.255 133 HA LEU 30 HA LEU 30 0.198 -19.653 -45.474 134 HB2 LEU 30 2HB LEU 30 1.277 -16.893 -44.928 135 HB3 LEU 30 3HB LEU 30 1.671 -17.934 -46.295 136 HG LEU 30 HG LEU 30 -0.931 -16.511 -45.763 137 HD11 LEU 30 1HD1 LEU 30 1.377 -16.121 -47.577 138 HD12 LEU 30 2HD1 LEU 30 0.324 -14.935 -46.805 139 HD13 LEU 30 3HD1 LEU 30 -0.231 -15.811 -48.232 140 HD21 LEU 30 3HD2 LEU 30 -1.931 -18.192 -46.832 141 HD22 LEU 30 1HD2 LEU 30 -0.392 -18.928 -47.280 142 HD23 LEU 30 2HD2 LEU 30 -1.077 -17.645 -48.275 143 H GLN 31 H GLN 31 0.454 -19.545 -42.359 144 HA GLN 31 HA GLN 31 1.994 -20.088 -40.767 145 HB2 GLN 31 2HB GLN 31 3.015 -21.591 -43.172 146 HB3 GLN 31 3HB GLN 31 3.726 -21.773 -41.574 147 HG2 GLN 31 2HG GLN 31 0.877 -22.372 -42.337 148 HG3 GLN 31 3HG GLN 31 2.149 -23.550 -42.017 149 HE21 GLN 31 1HE2 GLN 31 -0.467 -23.072 -40.722 150 HE22 GLN 31 2HE2 GLN 31 -0.114 -22.864 -39.044 151 H ARG 32 H ARG 32 2.470 -17.587 -41.463 152 HA ARG 32 HA ARG 32 5.401 -17.438 -41.523 153 HB2 ARG 32 2HB ARG 32 5.193 -15.344 -42.899 154 HB3 ARG 32 3HB ARG 32 4.775 -16.828 -43.746 155 HG2 ARG 32 2HG ARG 32 2.869 -15.871 -44.334 156 HG3 ARG 32 3HG ARG 32 2.382 -15.915 -42.638 157 HD2 ARG 32 2HD ARG 32 2.139 -13.672 -43.274 158 HD3 ARG 32 3HD ARG 32 3.661 -13.726 -42.386 159 HE ARG 32 HE ARG 32 4.461 -14.050 -44.935 160 HH11 ARG 32 1HH1 ARG 32 2.363 -11.733 -43.401 161 HH12 ARG 32 2HH1 ARG 32 2.748 -10.457 -44.507 162 HH21 ARG 32 1HH2 ARG 32 4.976 -12.377 -46.398 163 HH22 ARG 32 2HH2 ARG 32 4.233 -10.825 -46.212 164 H ALA 33 H ALA 33 6.299 -15.617 -40.450 165 HA ALA 33 HA ALA 33 4.421 -14.235 -38.645 166 HB1 ALA 33 3HB ALA 33 5.747 -14.594 -36.818 167 HB2 ALA 33 1HB ALA 33 6.069 -16.072 -37.725 168 HB3 ALA 33 2HB ALA 33 7.221 -14.736 -37.776 169 H THR 34 H THR 34 4.674 -12.071 -38.373 170 HA THR 34 HA THR 34 6.862 -10.792 -39.880 171 HB THR 34 HB THR 34 4.646 -9.002 -39.441 172 HG1 THR 34 HG1 THR 34 3.080 -10.096 -40.630 173 HG21 THR 34 1HG2 THR 34 5.123 -8.358 -41.569 174 HG22 THR 34 2HG2 THR 34 5.299 -10.016 -42.147 175 HG23 THR 34 3HG2 THR 34 6.610 -9.251 -41.249 176 H CYS 35 H CYS 35 8.304 -9.923 -38.549 177 HA CYS 35 HA CYS 35 7.954 -9.474 -35.822 178 HB2 CYS 35 2HB CYS 35 10.157 -9.684 -36.916 179 HB3 CYS 35 3HB CYS 35 9.918 -8.119 -37.683 180 HG CYS 35 HG CYS 35 10.199 -6.603 -35.474 181 H LYS 36 H LYS 36 7.288 -7.783 -34.610 182 HA LYS 36 HA LYS 36 5.832 -5.677 -35.956 183 HB2 LYS 36 2HB LYS 36 6.198 -6.334 -33.029 184 HB3 LYS 36 3HB LYS 36 5.203 -5.011 -33.622 185 HG2 LYS 36 2HG LYS 36 4.685 -7.739 -34.676 186 HG3 LYS 36 3HG LYS 36 4.173 -7.359 -33.031 187 HD2 LYS 36 2HD LYS 36 2.305 -6.797 -34.283 188 HD3 LYS 36 3HD LYS 36 3.128 -5.245 -34.110 189 HE2 LYS 36 2HE LYS 36 4.050 -6.720 -36.430 190 HE3 LYS 36 3HE LYS 36 2.311 -6.437 -36.478 191 HZ1 LYS 36 3HZ LYS 36 4.145 -4.670 -37.293 192 HZ2 LYS 36 1HZ LYS 36 3.905 -4.149 -35.701 193 HZ3 LYS 36 2HZ LYS 36 2.594 -4.245 -36.766 194 H ARG 37 H ARG 37 8.812 -6.064 -34.178 195 HA ARG 37 HA ARG 37 9.397 -3.465 -33.453 196 HB2 ARG 37 2HB ARG 37 10.736 -5.621 -33.043 197 HB3 ARG 37 3HB ARG 37 11.477 -5.308 -34.608 198 HG2 ARG 37 2HG ARG 37 12.678 -3.540 -33.846 199 HG3 ARG 37 3HG ARG 37 11.464 -3.091 -32.647 200 HD2 ARG 37 2HD ARG 37 12.170 -5.362 -31.543 201 HD3 ARG 37 3HD ARG 37 13.642 -5.121 -32.482 202 HE ARG 37 HE ARG 37 12.866 -3.719 -30.123 203 HH11 ARG 37 1HH1 ARG 37 14.602 -3.412 -33.125 204 HH12 ARG 37 2HH1 ARG 37 15.647 -2.159 -32.542 205 HH21 ARG 37 1HH2 ARG 37 14.236 -2.070 -29.345 206 HH22 ARG 37 2HH2 ARG 37 15.438 -1.396 -30.392 207 H GLU 38 H GLU 38 9.543 -1.651 -34.581 208 HA GLU 38 HA GLU 38 9.317 -1.435 -37.332 209 HB2 GLU 38 2HB GLU 38 9.216 0.343 -35.350 210 HB3 GLU 38 3HB GLU 38 10.856 0.670 -35.893 211 HG2 GLU 38 2HG GLU 38 9.311 2.176 -36.963 212 HG3 GLU 38 3HG GLU 38 10.012 1.084 -38.156 213 H GLY 39 H GLY 39 12.176 -1.836 -35.351 214 HA2 GLY 39 2HA GLY 39 14.109 -1.124 -37.282 215 HA3 GLY 39 3HA GLY 39 14.386 -2.154 -35.886 216 H CYS 40 H CYS 40 12.166 -3.956 -36.915 217 HA CYS 40 HA CYS 40 13.820 -5.362 -38.903 218 HB2 CYS 40 2HB CYS 40 12.385 -6.248 -36.517 219 HB3 CYS 40 3HB CYS 40 12.009 -7.216 -37.938 220 HG CYS 40 HG CYS 40 15.115 -7.106 -38.213 221 H GLY 41 H GLY 41 10.415 -5.777 -37.995 222 HA2 GLY 41 2HA GLY 41 8.541 -5.978 -39.315 223 HA3 GLY 41 3HA GLY 41 9.148 -4.515 -40.076 224 H PHE 42 H PHE 42 9.828 -8.016 -40.091 225 HA PHE 42 HA PHE 42 9.815 -7.911 -43.026 226 HB2 PHE 42 2HB PHE 42 11.768 -9.341 -43.152 227 HB3 PHE 42 3HB PHE 42 12.162 -7.906 -42.212 228 HD1 PHE 42 HD1 PHE 42 11.763 -8.194 -39.603 229 HD2 PHE 42 HD2 PHE 42 12.456 -11.372 -42.348 230 HE1 PHE 42 HE1 PHE 42 12.540 -9.619 -37.752 231 HE2 PHE 42 HE2 PHE 42 13.233 -12.801 -40.503 232 HZ PHE 42 HZ PHE 42 13.275 -11.926 -38.201 233 H ASP 43 H ASP 43 9.117 -9.784 -44.068 234 HA ASP 43 HA ASP 43 7.510 -11.546 -42.390 235 HB2 ASP 43 2HB ASP 43 6.617 -12.338 -44.626 236 HB3 ASP 43 3HB ASP 43 6.308 -10.649 -44.237 237 H TYR 44 H TYR 44 7.764 -13.741 -42.261 238 HA TYR 44 HA TYR 44 9.647 -15.158 -43.901 239 HB2 TYR 44 2HB TYR 44 11.083 -15.872 -41.979 240 HB3 TYR 44 3HB TYR 44 11.255 -14.175 -42.410 241 HD1 TYR 44 HD2 TYR 44 10.077 -12.443 -40.996 242 HD2 TYR 44 HD1 TYR 44 10.429 -16.513 -39.806 243 HE1 TYR 44 HE2 TYR 44 9.593 -11.800 -38.672 244 HE2 TYR 44 HE1 TYR 44 9.944 -15.881 -37.479 245 HH TYR 44 HH TYR 44 9.037 -14.176 -36.185 246 H CYS 45 H CYS 45 9.679 -17.455 -43.449 247 HA CYS 45 HA CYS 45 7.110 -18.442 -42.748 248 HB2 CYS 45 2HB CYS 45 9.176 -19.392 -44.252 249 HB3 CYS 45 3HB CYS 45 9.329 -20.381 -42.804 250 HG CYS 45 HG CYS 45 7.310 -20.779 -45.317 251 H THR 46 H THR 46 6.329 -18.995 -40.828 252 HA THR 46 HA THR 46 8.003 -18.848 -38.487 253 HB THR 46 HB THR 46 5.757 -17.937 -38.357 254 HG1 THR 46 HG1 THR 46 5.019 -19.339 -36.525 255 HG21 THR 46 1HG2 THR 46 3.995 -18.938 -39.281 256 HG22 THR 46 2HG2 THR 46 4.211 -20.345 -38.238 257 HG23 THR 46 3HG2 THR 46 5.046 -20.260 -39.788 258 H LYS 47 H LYS 47 7.393 -21.244 -40.681 259 HA LYS 47 HA LYS 47 7.150 -23.478 -38.894 260 HB2 LYS 47 2HB LYS 47 7.930 -23.460 -41.815 261 HB3 LYS 47 3HB LYS 47 7.383 -24.851 -40.887 262 HG2 LYS 47 2HG LYS 47 5.702 -22.405 -41.370 263 HG3 LYS 47 3HG LYS 47 5.667 -23.843 -42.392 264 HD2 LYS 47 2HD LYS 47 5.320 -24.205 -39.462 265 HD3 LYS 47 3HD LYS 47 3.977 -23.514 -40.376 266 HE2 LYS 47 2HE LYS 47 3.685 -25.430 -41.641 267 HE3 LYS 47 3HE LYS 47 5.334 -25.987 -41.363 268 HZ1 LYS 47 3HZ LYS 47 3.653 -25.775 -39.005 269 HZ2 LYS 47 1HZ LYS 47 4.773 -26.968 -39.434 270 HZ3 LYS 47 2HZ LYS 47 3.219 -26.985 -40.105 271 H CYS 48 H CYS 48 9.756 -22.139 -40.908 272 HA CYS 48 HA CYS 48 11.674 -23.680 -39.285 273 HB2 CYS 48 2HB CYS 48 13.197 -23.485 -41.294 274 HB3 CYS 48 3HB CYS 48 11.790 -24.518 -41.512 275 HG CYS 48 HG CYS 48 12.728 -22.477 -43.624 276 H LEU 49 H LEU 49 10.451 -20.714 -39.585 277 HA LEU 49 HA LEU 49 11.139 -18.597 -39.112 278 HB2 LEU 49 2HB LEU 49 13.307 -20.137 -37.694 279 HB3 LEU 49 3HB LEU 49 13.024 -18.408 -37.502 280 HG LEU 49 HG LEU 49 11.218 -20.667 -36.653 281 HD11 LEU 49 1HD1 LEU 49 12.542 -20.491 -34.852 282 HD12 LEU 49 2HD1 LEU 49 11.593 -19.044 -34.513 283 HD13 LEU 49 3HD1 LEU 49 13.152 -18.905 -35.325 284 HD21 LEU 49 3HD2 LEU 49 9.692 -18.938 -35.838 285 HD22 LEU 49 1HD2 LEU 49 9.872 -18.863 -37.591 286 HD23 LEU 49 2HD2 LEU 49 10.707 -17.694 -36.568 287 H CYS 50 H CYS 50 11.911 -19.519 -41.630 288 HA CYS 50 HA CYS 50 14.512 -18.178 -41.975 289 HB2 CYS 50 2HB CYS 50 13.874 -20.800 -42.655 290 HB3 CYS 50 3HB CYS 50 13.763 -19.926 -44.177 291 HG CYS 50 HG CYS 50 16.520 -19.602 -42.201 292 H ASN 51 H ASN 51 14.783 -17.268 -44.230 293 HA ASN 51 HA ASN 51 12.941 -15.280 -44.722 294 HB2 ASN 51 2HB ASN 51 15.025 -16.569 -46.465 295 HB3 ASN 51 3HB ASN 51 13.995 -15.285 -47.092 296 HD21 ASN 51 1HD2 ASN 51 16.241 -16.077 -44.493 297 HD22 ASN 51 2HD2 ASN 51 16.829 -14.469 -44.269 298 H TYR 52 H TYR 52 11.062 -15.110 -45.793 299 HA TYR 52 HA TYR 52 9.583 -17.394 -46.483 300 HB2 TYR 52 2HB TYR 52 8.818 -14.959 -45.890 301 HB3 TYR 52 3HB TYR 52 8.922 -14.703 -47.628 302 HD1 TYR 52 HD2 TYR 52 7.375 -16.958 -45.096 303 HD2 TYR 52 HD1 TYR 52 7.122 -15.265 -48.991 304 HE1 TYR 52 HE2 TYR 52 5.136 -17.936 -45.368 305 HE2 TYR 52 HE1 TYR 52 4.880 -16.238 -49.274 306 HH TYR 52 HH TYR 52 3.699 -18.596 -47.805 307 H HIS 53 H HIS 53 8.500 -17.623 -48.690 308 HA HIS 53 HA HIS 53 10.605 -17.891 -50.664 309 HB2 HIS 53 2HB HIS 53 7.702 -18.643 -50.996 310 HB3 HIS 53 3HB HIS 53 9.089 -19.270 -51.882 311 HD1 HIS 53 HD1 HIS 53 10.080 -21.382 -51.018 312 HD2 HIS 53 HD2 HIS 53 7.706 -19.490 -48.181 313 HE1 HIS 53 HE1 HIS 53 9.959 -22.972 -49.073 314 H THR 54 H THR 54 8.871 -15.354 -49.799 315 HA THR 54 HA THR 54 8.003 -14.480 -52.437 316 HB THR 54 HB THR 54 6.565 -13.957 -50.524 317 HG1 THR 54 HG1 THR 54 6.439 -12.473 -52.180 318 HG21 THR 54 1HG2 THR 54 7.455 -13.341 -48.576 319 HG22 THR 54 2HG2 THR 54 7.952 -11.816 -49.309 320 HG23 THR 54 3HG2 THR 54 9.047 -13.199 -49.320 321 H THR 55 H THR 55 10.908 -14.789 -51.309 322 HA THR 55 HA THR 55 11.840 -12.183 -52.324 323 HB THR 55 HB THR 55 12.193 -12.516 -49.837 324 HG1 THR 55 HG1 THR 55 14.295 -11.650 -49.973 325 HG21 THR 55 1HG2 THR 55 13.118 -15.005 -50.616 326 HG22 THR 55 2HG2 THR 55 13.316 -14.274 -49.024 327 HG23 THR 55 3HG2 THR 55 14.591 -14.115 -50.232 328 H LYS 56 H LYS 56 14.506 -12.646 -52.502 329 HA LYS 56 HA LYS 56 14.852 -13.899 -54.922 330 HB2 LYS 56 2HB LYS 56 16.677 -13.142 -52.699 331 HB3 LYS 56 3HB LYS 56 17.314 -14.230 -53.926 332 HG2 LYS 56 2HG LYS 56 17.895 -12.272 -54.889 333 HG3 LYS 56 3HG LYS 56 16.256 -12.388 -55.531 334 HD2 LYS 56 2HD LYS 56 16.434 -10.194 -54.706 335 HD3 LYS 56 3HD LYS 56 15.534 -11.074 -53.469 336 HE2 LYS 56 2HE LYS 56 17.369 -11.153 -52.025 337 HE3 LYS 56 3HE LYS 56 18.515 -10.796 -53.316 338 HZ1 LYS 56 3HZ LYS 56 17.560 -8.993 -51.559 339 HZ2 LYS 56 1HZ LYS 56 16.546 -8.735 -52.888 340 HZ3 LYS 56 2HZ LYS 56 18.223 -8.609 -53.067 341 H ASP 57 H ASP 57 15.127 -15.296 -51.690 342 HA ASP 57 HA ASP 57 14.567 -17.917 -52.693 343 HB2 ASP 57 2HB ASP 57 17.326 -17.114 -52.375 344 HB3 ASP 57 3HB ASP 57 16.936 -18.439 -51.282 345 H CYS 58 H CYS 58 14.001 -19.377 -51.064 346 HA CYS 58 HA CYS 58 13.043 -18.197 -48.666 347 HB2 CYS 58 2HB CYS 58 11.824 -20.033 -49.622 348 HB3 CYS 58 3HB CYS 58 13.240 -21.075 -49.562 349 HG CYS 58 HG CYS 58 13.279 -21.266 -46.782 Start of MODEL 7 1 H SER 13 H SER 13 -1.610 -15.887 -32.334 2 HA SER 13 HA SER 13 -0.038 -16.270 -29.874 3 HB2 SER 13 2HB SER 13 -0.090 -18.167 -32.233 4 HB3 SER 13 3HB SER 13 0.838 -18.368 -30.746 5 HG SER 13 HG SER 13 -0.911 -19.499 -30.274 6 H LEU 14 H LEU 14 1.610 -14.900 -29.964 7 HA LEU 14 HA LEU 14 2.697 -14.045 -32.515 8 HB2 LEU 14 2HB LEU 14 3.133 -13.215 -29.667 9 HB3 LEU 14 3HB LEU 14 4.196 -12.658 -30.957 10 HG LEU 14 HG LEU 14 2.568 -10.956 -30.477 11 HD11 LEU 14 1HD1 LEU 14 1.623 -10.631 -32.668 12 HD12 LEU 14 2HD1 LEU 14 1.817 -12.342 -33.046 13 HD13 LEU 14 3HD1 LEU 14 3.238 -11.321 -32.828 14 HD21 LEU 14 3HD2 LEU 14 0.893 -12.757 -29.621 15 HD22 LEU 14 1HD2 LEU 14 0.321 -12.749 -31.290 16 HD23 LEU 14 2HD2 LEU 14 0.286 -11.264 -30.339 17 H LYS 15 H LYS 15 4.699 -14.513 -33.297 18 HA LYS 15 HA LYS 15 6.038 -16.810 -32.143 19 HB2 LYS 15 2HB LYS 15 6.903 -15.279 -34.590 20 HB3 LYS 15 3HB LYS 15 7.244 -16.956 -34.181 21 HG2 LYS 15 2HG LYS 15 4.587 -15.796 -34.990 22 HG3 LYS 15 3HG LYS 15 5.608 -16.885 -35.932 23 HD2 LYS 15 2HD LYS 15 4.295 -17.543 -33.295 24 HD3 LYS 15 3HD LYS 15 3.735 -18.072 -34.883 25 HE2 LYS 15 2HE LYS 15 4.985 -19.892 -34.521 26 HE3 LYS 15 3HE LYS 15 6.360 -18.852 -34.895 27 HZ1 LYS 15 3HZ LYS 15 5.367 -18.895 -32.141 28 HZ2 LYS 15 1HZ LYS 15 6.943 -18.679 -32.717 29 HZ3 LYS 15 2HZ LYS 15 6.259 -20.225 -32.684 30 H ALA 16 H ALA 16 8.622 -16.582 -32.597 31 HA ALA 16 HA ALA 16 9.471 -14.174 -31.120 32 HB1 ALA 16 3HB ALA 16 9.951 -17.015 -30.585 33 HB2 ALA 16 1HB ALA 16 11.395 -16.003 -30.514 34 HB3 ALA 16 2HB ALA 16 10.003 -15.627 -29.497 35 H CYS 17 H CYS 17 10.542 -12.899 -32.483 36 HA CYS 17 HA CYS 17 11.646 -13.565 -34.918 37 HB2 CYS 17 2HB CYS 17 11.250 -11.244 -33.824 38 HB3 CYS 17 3HB CYS 17 12.886 -11.431 -33.205 39 HG CYS 17 HG CYS 17 11.874 -11.049 -36.430 40 H ILE 18 H ILE 18 13.704 -14.069 -35.659 41 HA ILE 18 HA ILE 18 15.309 -15.606 -33.817 42 HB ILE 18 HB ILE 18 16.661 -16.189 -35.781 43 HG12 ILE 18 2HG1 ILE 18 14.791 -14.324 -37.259 44 HG13 ILE 18 3HG1 ILE 18 16.509 -14.058 -36.982 45 HG21 ILE 18 1HG2 ILE 18 13.702 -16.400 -36.321 46 HG22 ILE 18 2HG2 ILE 18 14.965 -17.443 -36.974 47 HG23 ILE 18 3HG2 ILE 18 14.619 -17.453 -35.244 48 HD11 ILE 18 3HD1 ILE 18 16.012 -14.835 -39.255 49 HD12 ILE 18 1HD1 ILE 18 17.063 -15.944 -38.375 50 HD13 ILE 18 2HD1 ILE 18 15.353 -16.327 -38.584 51 H ARG 19 H ARG 19 15.139 -12.419 -34.344 52 HA ARG 19 HA ARG 19 18.008 -11.898 -34.417 53 HB2 ARG 19 2HB ARG 19 15.670 -9.982 -34.350 54 HB3 ARG 19 3HB ARG 19 17.357 -9.527 -34.547 55 HG2 ARG 19 2HG ARG 19 17.128 -11.269 -36.571 56 HG3 ARG 19 3HG ARG 19 15.465 -10.684 -36.487 57 HD2 ARG 19 2HD ARG 19 16.351 -9.129 -37.906 58 HD3 ARG 19 3HD ARG 19 16.667 -8.338 -36.362 59 HE ARG 19 HE ARG 19 18.892 -9.871 -36.881 60 HH11 ARG 19 1HH1 ARG 19 17.193 -7.273 -38.460 61 HH12 ARG 19 2HH1 ARG 19 18.612 -6.634 -39.221 62 HH21 ARG 19 1HH2 ARG 19 20.767 -9.039 -37.878 63 HH22 ARG 19 2HH2 ARG 19 20.644 -7.640 -38.891 64 H CYS 20 H CYS 20 15.255 -10.878 -32.385 65 HA CYS 20 HA CYS 20 16.976 -11.134 -30.030 66 HB2 CYS 20 2HB CYS 20 15.965 -8.960 -29.174 67 HB3 CYS 20 3HB CYS 20 17.162 -8.811 -30.454 68 HG CYS 20 HG CYS 20 14.388 -7.344 -30.391 69 H ASN 21 H ASN 21 14.668 -12.607 -31.236 70 HA ASN 21 HA ASN 21 12.725 -13.613 -30.598 71 HB2 ASN 21 2HB ASN 21 14.444 -14.052 -28.648 72 HB3 ASN 21 3HB ASN 21 13.353 -13.013 -27.735 73 HD21 ASN 21 1HD2 ASN 21 13.893 -16.115 -29.020 74 HD22 ASN 21 2HD2 ASN 21 12.406 -16.838 -28.519 75 H SER 22 H SER 22 11.638 -11.686 -31.531 76 HA SER 22 HA SER 22 10.235 -10.136 -29.454 77 HB2 SER 22 2HB SER 22 11.451 -9.358 -32.002 78 HB3 SER 22 3HB SER 22 9.793 -8.783 -31.819 79 HG SER 22 HG SER 22 10.413 -7.469 -30.283 80 HA PRO 23 HA PRO 23 6.361 -11.770 -30.703 81 HB2 PRO 23 2HB PRO 23 4.734 -9.602 -30.562 82 HB3 PRO 23 3HB PRO 23 5.385 -10.409 -29.130 83 HG2 PRO 23 2HG PRO 23 6.336 -7.924 -30.500 84 HG3 PRO 23 3HG PRO 23 6.162 -8.248 -28.765 85 HD2 PRO 23 2HD PRO 23 8.549 -8.369 -30.038 86 HD3 PRO 23 3HD PRO 23 8.150 -9.409 -28.655 87 H ALA 24 H ALA 24 6.232 -12.422 -32.780 88 HA ALA 24 HA ALA 24 5.864 -10.366 -34.858 89 HB1 ALA 24 3HB ALA 24 7.727 -12.376 -34.782 90 HB2 ALA 24 1HB ALA 24 6.463 -13.059 -35.803 91 HB3 ALA 24 2HB ALA 24 7.202 -11.516 -36.230 92 H LYS 25 H LYS 25 3.959 -10.250 -35.848 93 HA LYS 25 HA LYS 25 1.726 -11.718 -35.057 94 HB2 LYS 25 2HB LYS 25 1.454 -9.565 -36.090 95 HB3 LYS 25 3HB LYS 25 2.235 -10.117 -37.567 96 HG2 LYS 25 2HG LYS 25 -0.200 -9.942 -37.795 97 HG3 LYS 25 3HG LYS 25 0.382 -11.589 -38.044 98 HD2 LYS 25 2HD LYS 25 -1.633 -11.593 -36.682 99 HD3 LYS 25 3HD LYS 25 -0.250 -12.149 -35.738 100 HE2 LYS 25 2HE LYS 25 -0.033 -9.893 -34.774 101 HE3 LYS 25 3HE LYS 25 -1.453 -9.382 -35.685 102 HZ1 LYS 25 3HZ LYS 25 -2.145 -9.915 -33.494 103 HZ2 LYS 25 1HZ LYS 25 -1.344 -11.405 -33.518 104 HZ3 LYS 25 2HZ LYS 25 -2.701 -11.159 -34.497 105 H TYR 26 H TYR 26 1.508 -13.848 -35.282 106 HA TYR 26 HA TYR 26 2.690 -15.273 -37.491 107 HB2 TYR 26 2HB TYR 26 2.725 -16.392 -35.384 108 HB3 TYR 26 3HB TYR 26 1.000 -16.139 -35.144 109 HD1 TYR 26 HD1 TYR 26 2.801 -17.398 -38.152 110 HD2 TYR 26 HD2 TYR 26 0.103 -18.284 -34.985 111 HE1 TYR 26 HE1 TYR 26 2.345 -19.593 -39.163 112 HE2 TYR 26 HE2 TYR 26 -0.360 -20.482 -35.985 113 HH TYR 26 HH TYR 26 1.477 -21.694 -38.689 114 H ASP 27 H ASP 27 1.738 -15.858 -39.334 115 HA ASP 27 HA ASP 27 -1.186 -15.548 -39.546 116 HB2 ASP 27 2HB ASP 27 0.894 -14.291 -41.050 117 HB3 ASP 27 3HB ASP 27 0.001 -15.364 -42.123 118 H CYS 28 H CYS 28 -1.791 -17.651 -39.267 119 HA CYS 28 HA CYS 28 -0.476 -19.909 -40.250 120 HB2 CYS 28 2HB CYS 28 -2.580 -21.102 -39.857 121 HB3 CYS 28 3HB CYS 28 -2.215 -20.015 -38.522 122 HG CYS 28 HG CYS 28 -4.482 -19.375 -41.006 123 H TYR 29 H TYR 29 -2.430 -17.589 -41.861 124 HA TYR 29 HA TYR 29 -3.541 -18.996 -43.956 125 HB2 TYR 29 2HB TYR 29 -3.086 -16.286 -43.331 126 HB3 TYR 29 3HB TYR 29 -2.430 -16.527 -44.946 127 HD1 TYR 29 HD2 TYR 29 -5.483 -16.741 -42.886 128 HD2 TYR 29 HD1 TYR 29 -3.863 -16.898 -46.818 129 HE1 TYR 29 HE2 TYR 29 -7.754 -16.607 -43.822 130 HE2 TYR 29 HE1 TYR 29 -6.130 -16.763 -47.763 131 HH TYR 29 HH TYR 29 -8.592 -17.451 -46.747 132 H LEU 30 H LEU 30 -0.305 -17.507 -43.862 133 HA LEU 30 HA LEU 30 0.504 -19.369 -45.998 134 HB2 LEU 30 2HB LEU 30 1.593 -16.599 -45.525 135 HB3 LEU 30 3HB LEU 30 2.028 -17.694 -46.836 136 HG LEU 30 HG LEU 30 -0.595 -16.261 -46.447 137 HD11 LEU 30 1HD1 LEU 30 1.763 -15.456 -47.656 138 HD12 LEU 30 2HD1 LEU 30 0.164 -14.757 -47.898 139 HD13 LEU 30 3HD1 LEU 30 0.755 -16.005 -48.995 140 HD21 LEU 30 3HD2 LEU 30 0.023 -18.711 -47.878 141 HD22 LEU 30 1HD2 LEU 30 -0.624 -17.456 -48.935 142 HD23 LEU 30 2HD2 LEU 30 -1.538 -17.973 -47.517 143 H GLN 31 H GLN 31 0.677 -19.274 -42.917 144 HA GLN 31 HA GLN 31 2.159 -19.826 -41.275 145 HB2 GLN 31 2HB GLN 31 3.297 -21.232 -43.682 146 HB3 GLN 31 3HB GLN 31 4.017 -21.401 -42.085 147 HG2 GLN 31 2HG GLN 31 2.643 -23.198 -42.051 148 HG3 GLN 31 3HG GLN 31 1.527 -21.987 -41.422 149 HE21 GLN 31 1HE2 GLN 31 -0.359 -22.793 -42.144 150 HE22 GLN 31 2HE2 GLN 31 -0.756 -23.008 -43.812 151 H ARG 32 H ARG 32 2.562 -17.274 -42.003 152 HA ARG 32 HA ARG 32 5.496 -17.022 -41.953 153 HB2 ARG 32 2HB ARG 32 5.440 -15.121 -43.358 154 HB3 ARG 32 3HB ARG 32 4.414 -16.316 -44.140 155 HG2 ARG 32 2HG ARG 32 2.514 -15.090 -42.809 156 HG3 ARG 32 3HG ARG 32 3.678 -13.763 -42.807 157 HD2 ARG 32 2HD ARG 32 3.022 -15.212 -45.343 158 HD3 ARG 32 3HD ARG 32 1.956 -13.945 -44.737 159 HE ARG 32 HE ARG 32 4.720 -13.165 -44.902 160 HH11 ARG 32 1HH1 ARG 32 1.700 -13.413 -46.614 161 HH12 ARG 32 2HH1 ARG 32 2.099 -12.179 -47.763 162 HH21 ARG 32 1HH2 ARG 32 5.259 -11.539 -46.409 163 HH22 ARG 32 2HH2 ARG 32 4.125 -11.114 -47.646 164 H ALA 33 H ALA 33 6.333 -15.273 -40.733 165 HA ALA 33 HA ALA 33 4.415 -14.105 -38.822 166 HB1 ALA 33 3HB ALA 33 5.508 -15.284 -37.270 167 HB2 ALA 33 1HB ALA 33 6.850 -15.640 -38.358 168 HB3 ALA 33 2HB ALA 33 6.808 -14.111 -37.480 169 H THR 34 H THR 34 4.605 -11.961 -38.351 170 HA THR 34 HA THR 34 6.687 -10.475 -39.818 171 HB THR 34 HB THR 34 4.380 -8.872 -39.071 172 HG1 THR 34 HG1 THR 34 3.986 -11.132 -40.762 173 HG21 THR 34 1HG2 THR 34 5.604 -9.528 -41.753 174 HG22 THR 34 2HG2 THR 34 6.119 -8.218 -40.691 175 HG23 THR 34 3HG2 THR 34 4.507 -8.194 -41.404 176 H CYS 35 H CYS 35 8.176 -9.716 -38.468 177 HA CYS 35 HA CYS 35 7.898 -9.497 -35.694 178 HB2 CYS 35 2HB CYS 35 10.066 -9.652 -36.917 179 HB3 CYS 35 3HB CYS 35 9.845 -7.989 -37.449 180 HG CYS 35 HG CYS 35 9.973 -8.818 -34.138 181 H LYS 36 H LYS 36 7.053 -7.992 -34.406 182 HA LYS 36 HA LYS 36 5.692 -5.738 -35.546 183 HB2 LYS 36 2HB LYS 36 6.070 -6.694 -32.710 184 HB3 LYS 36 3HB LYS 36 5.174 -5.235 -33.110 185 HG2 LYS 36 2HG LYS 36 4.495 -7.947 -34.215 186 HG3 LYS 36 3HG LYS 36 3.785 -7.284 -32.742 187 HD2 LYS 36 2HD LYS 36 2.524 -5.765 -33.873 188 HD3 LYS 36 3HD LYS 36 3.716 -5.572 -35.160 189 HE2 LYS 36 2HE LYS 36 2.360 -6.825 -36.413 190 HE3 LYS 36 3HE LYS 36 2.892 -8.191 -35.434 191 HZ1 LYS 36 3HZ LYS 36 0.694 -6.554 -34.413 192 HZ2 LYS 36 1HZ LYS 36 0.967 -8.216 -34.254 193 HZ3 LYS 36 2HZ LYS 36 0.362 -7.593 -35.706 194 H ARG 37 H ARG 37 8.744 -6.291 -34.001 195 HA ARG 37 HA ARG 37 9.392 -3.813 -32.984 196 HB2 ARG 37 2HB ARG 37 10.775 -5.942 -32.929 197 HB3 ARG 37 3HB ARG 37 11.325 -5.522 -34.545 198 HG2 ARG 37 2HG ARG 37 12.837 -4.116 -33.739 199 HG3 ARG 37 3HG ARG 37 11.627 -3.288 -32.756 200 HD2 ARG 37 2HD ARG 37 11.882 -5.465 -31.271 201 HD3 ARG 37 3HD ARG 37 13.465 -5.515 -32.045 202 HE ARG 37 HE ARG 37 12.643 -3.751 -29.980 203 HH11 ARG 37 1HH1 ARG 37 14.598 -3.916 -32.857 204 HH12 ARG 37 2HH1 ARG 37 15.686 -2.669 -32.345 205 HH21 ARG 37 1HH2 ARG 37 14.069 -2.109 -29.296 206 HH22 ARG 37 2HH2 ARG 37 15.386 -1.643 -30.318 207 H GLU 38 H GLU 38 9.362 -1.865 -33.871 208 HA GLU 38 HA GLU 38 8.973 -1.311 -36.563 209 HB2 GLU 38 2HB GLU 38 10.053 0.351 -34.299 210 HB3 GLU 38 3HB GLU 38 9.883 1.010 -35.920 211 HG2 GLU 38 2HG GLU 38 7.465 0.355 -35.827 212 HG3 GLU 38 3HG GLU 38 7.709 -0.027 -34.123 213 H GLY 39 H GLY 39 11.913 -1.930 -34.810 214 HA2 GLY 39 2HA GLY 39 13.692 -0.835 -36.765 215 HA3 GLY 39 3HA GLY 39 14.129 -1.913 -35.447 216 H CYS 40 H CYS 40 11.963 -3.801 -36.502 217 HA CYS 40 HA CYS 40 13.662 -5.022 -38.569 218 HB2 CYS 40 2HB CYS 40 12.199 -6.082 -36.269 219 HB3 CYS 40 3HB CYS 40 11.883 -6.974 -37.753 220 HG CYS 40 HG CYS 40 14.965 -6.824 -37.994 221 H GLY 41 H GLY 41 10.254 -5.582 -37.759 222 HA2 GLY 41 2HA GLY 41 8.411 -5.748 -39.127 223 HA3 GLY 41 3HA GLY 41 8.992 -4.226 -39.786 224 H PHE 42 H PHE 42 9.768 -7.701 -39.996 225 HA PHE 42 HA PHE 42 9.810 -7.418 -42.919 226 HB2 PHE 42 2HB PHE 42 11.800 -8.792 -43.089 227 HB3 PHE 42 3HB PHE 42 12.139 -7.406 -42.057 228 HD1 PHE 42 HD2 PHE 42 11.704 -7.857 -39.479 229 HD2 PHE 42 HD1 PHE 42 12.513 -10.854 -42.390 230 HE1 PHE 42 HE2 PHE 42 12.479 -9.371 -37.701 231 HE2 PHE 42 HE1 PHE 42 13.289 -12.372 -40.617 232 HZ PHE 42 HZ PHE 42 13.274 -11.631 -38.269 233 H ASP 43 H ASP 43 9.147 -9.219 -44.084 234 HA ASP 43 HA ASP 43 7.520 -11.096 -42.574 235 HB2 ASP 43 2HB ASP 43 6.404 -11.562 -44.576 236 HB3 ASP 43 3HB ASP 43 6.824 -9.859 -44.741 237 H TYR 44 H TYR 44 7.812 -13.286 -42.489 238 HA TYR 44 HA TYR 44 9.800 -14.635 -44.052 239 HB2 TYR 44 2HB TYR 44 11.169 -15.350 -42.081 240 HB3 TYR 44 3HB TYR 44 11.325 -13.643 -42.481 241 HD1 TYR 44 HD1 TYR 44 10.107 -11.949 -41.081 242 HD2 TYR 44 HD2 TYR 44 10.389 -16.043 -39.958 243 HE1 TYR 44 HE1 TYR 44 9.513 -11.351 -38.770 244 HE2 TYR 44 HE2 TYR 44 9.794 -15.456 -37.645 245 HH TYR 44 HH TYR 44 9.712 -13.647 -36.169 246 H CYS 45 H CYS 45 9.863 -16.938 -43.624 247 HA CYS 45 HA CYS 45 7.276 -17.964 -42.981 248 HB2 CYS 45 2HB CYS 45 9.320 -18.829 -44.564 249 HB3 CYS 45 3HB CYS 45 9.504 -19.886 -43.169 250 HG CYS 45 HG CYS 45 6.988 -19.746 -45.429 251 H THR 46 H THR 46 6.536 -18.464 -41.038 252 HA THR 46 HA THR 46 8.194 -18.412 -38.722 253 HB THR 46 HB THR 46 5.910 -17.683 -38.511 254 HG1 THR 46 HG1 THR 46 5.234 -19.260 -36.814 255 HG21 THR 46 1HG2 THR 46 5.362 -20.045 -40.054 256 HG22 THR 46 2HG2 THR 46 4.305 -18.680 -39.694 257 HG23 THR 46 3HG2 THR 46 4.391 -20.047 -38.583 258 H LYS 47 H LYS 47 7.570 -20.800 -40.997 259 HA LYS 47 HA LYS 47 7.632 -23.085 -39.268 260 HB2 LYS 47 2HB LYS 47 8.280 -23.046 -42.213 261 HB3 LYS 47 3HB LYS 47 7.681 -24.396 -41.259 262 HG2 LYS 47 2HG LYS 47 6.129 -21.882 -41.835 263 HG3 LYS 47 3HG LYS 47 5.968 -23.397 -42.724 264 HD2 LYS 47 2HD LYS 47 5.706 -23.519 -39.773 265 HD3 LYS 47 3HD LYS 47 4.390 -22.759 -40.669 266 HE2 LYS 47 2HE LYS 47 3.645 -24.896 -40.773 267 HE3 LYS 47 3HE LYS 47 4.720 -24.947 -42.169 268 HZ1 LYS 47 3HZ LYS 47 5.992 -26.449 -41.172 269 HZ2 LYS 47 1HZ LYS 47 4.812 -26.581 -39.966 270 HZ3 LYS 47 2HZ LYS 47 6.117 -25.527 -39.759 271 H CYS 48 H CYS 48 9.946 -22.114 -41.802 272 HA CYS 48 HA CYS 48 12.071 -23.498 -40.394 273 HB2 CYS 48 2HB CYS 48 13.432 -22.953 -42.378 274 HB3 CYS 48 3HB CYS 48 11.927 -23.753 -42.814 275 HG CYS 48 HG CYS 48 12.220 -20.356 -42.934 276 H LEU 49 H LEU 49 10.735 -20.461 -40.287 277 HA LEU 49 HA LEU 49 11.378 -18.458 -39.424 278 HB2 LEU 49 2HB LEU 49 13.437 -20.255 -38.165 279 HB3 LEU 49 3HB LEU 49 13.276 -18.546 -37.767 280 HG LEU 49 HG LEU 49 11.232 -20.713 -37.288 281 HD11 LEU 49 1HD1 LEU 49 13.433 -19.749 -35.761 282 HD12 LEU 49 2HD1 LEU 49 12.236 -20.969 -35.330 283 HD13 LEU 49 3HD1 LEU 49 11.936 -19.271 -34.961 284 HD21 LEU 49 3HD2 LEU 49 10.102 -18.666 -37.896 285 HD22 LEU 49 1HD2 LEU 49 11.094 -17.745 -36.766 286 HD23 LEU 49 2HD2 LEU 49 9.943 -18.936 -36.159 287 H CYS 50 H CYS 50 12.113 -18.658 -41.978 288 HA CYS 50 HA CYS 50 14.610 -17.155 -42.035 289 HB2 CYS 50 2HB CYS 50 14.103 -19.611 -43.724 290 HB3 CYS 50 3HB CYS 50 15.405 -18.464 -44.014 291 HG CYS 50 HG CYS 50 15.086 -20.231 -41.103 292 H ASN 51 H ASN 51 14.970 -16.583 -44.564 293 HA ASN 51 HA ASN 51 13.063 -14.705 -45.223 294 HB2 ASN 51 2HB ASN 51 15.025 -16.165 -46.997 295 HB3 ASN 51 3HB ASN 51 14.066 -14.792 -47.541 296 HD21 ASN 51 1HD2 ASN 51 16.655 -15.848 -45.478 297 HD22 ASN 51 2HD2 ASN 51 17.297 -14.279 -45.144 298 H TYR 52 H TYR 52 11.068 -14.802 -46.005 299 HA TYR 52 HA TYR 52 9.646 -17.123 -46.442 300 HB2 TYR 52 2HB TYR 52 8.739 -14.772 -46.129 301 HB3 TYR 52 3HB TYR 52 9.042 -14.518 -47.843 302 HD1 TYR 52 HD2 TYR 52 7.027 -16.392 -45.397 303 HD2 TYR 52 HD1 TYR 52 7.614 -15.479 -49.511 304 HE1 TYR 52 HE2 TYR 52 4.838 -17.383 -45.923 305 HE2 TYR 52 HE1 TYR 52 5.427 -16.468 -50.049 306 HH TYR 52 HH TYR 52 3.889 -18.467 -48.535 307 H HIS 53 H HIS 53 8.751 -18.048 -48.388 308 HA HIS 53 HA HIS 53 10.622 -18.807 -50.271 309 HB2 HIS 53 2HB HIS 53 7.617 -18.685 -50.601 310 HB3 HIS 53 3HB HIS 53 8.715 -19.607 -51.624 311 HD1 HIS 53 HD1 HIS 53 9.223 -21.934 -50.895 312 HD2 HIS 53 HD2 HIS 53 7.579 -19.652 -47.838 313 HE1 HIS 53 HE1 HIS 53 8.833 -23.536 -48.996 314 H THR 54 H THR 54 7.856 -16.679 -51.009 315 HA THR 54 HA THR 54 8.667 -15.795 -53.477 316 HB THR 54 HB THR 54 7.255 -13.850 -53.176 317 HG1 THR 54 HG1 THR 54 6.384 -13.443 -51.045 318 HG21 THR 54 1HG2 THR 54 6.430 -16.534 -52.507 319 HG22 THR 54 2HG2 THR 54 5.588 -15.306 -53.453 320 HG23 THR 54 3HG2 THR 54 5.411 -15.344 -51.699 321 H THR 55 H THR 55 9.454 -14.356 -50.325 322 HA THR 55 HA THR 55 10.909 -12.161 -51.231 323 HB THR 55 HB THR 55 11.318 -13.777 -48.708 324 HG1 THR 55 HG1 THR 55 9.756 -11.490 -49.353 325 HG21 THR 55 1HG2 THR 55 12.292 -11.007 -49.417 326 HG22 THR 55 2HG2 THR 55 13.298 -12.440 -49.198 327 HG23 THR 55 3HG2 THR 55 12.418 -11.760 -47.829 328 H LYS 56 H LYS 56 12.358 -15.132 -49.888 329 HA LYS 56 HA LYS 56 14.423 -15.007 -51.966 330 HB2 LYS 56 2HB LYS 56 14.982 -14.015 -49.532 331 HB3 LYS 56 3HB LYS 56 15.340 -15.711 -49.232 332 HG2 LYS 56 2HG LYS 56 17.374 -15.207 -49.999 333 HG3 LYS 56 3HG LYS 56 16.625 -15.292 -51.595 334 HD2 LYS 56 2HD LYS 56 16.407 -12.715 -50.155 335 HD3 LYS 56 3HD LYS 56 18.010 -13.164 -50.740 336 HE2 LYS 56 2HE LYS 56 16.721 -13.687 -52.956 337 HE3 LYS 56 3HE LYS 56 15.512 -12.599 -52.275 338 HZ1 LYS 56 3HZ LYS 56 17.085 -10.846 -52.191 339 HZ2 LYS 56 1HZ LYS 56 17.196 -11.521 -53.739 340 HZ3 LYS 56 2HZ LYS 56 18.372 -11.875 -52.576 341 H ASP 57 H ASP 57 15.808 -17.038 -51.909 342 HA ASP 57 HA ASP 57 14.264 -19.283 -52.343 343 HB2 ASP 57 2HB ASP 57 16.483 -20.547 -51.965 344 HB3 ASP 57 3HB ASP 57 16.423 -19.345 -53.251 345 H CYS 58 H CYS 58 13.155 -20.570 -51.041 346 HA CYS 58 HA CYS 58 12.967 -20.327 -48.304 347 HB2 CYS 58 2HB CYS 58 11.270 -21.506 -49.523 348 HB3 CYS 58 3HB CYS 58 12.425 -22.717 -50.068 349 HG CYS 58 HG CYS 58 12.090 -24.344 -48.113 Start of MODEL 8 1 H SER 13 H SER 13 -0.998 -15.110 -29.438 2 HA SER 13 HA SER 13 -0.292 -17.532 -30.787 3 HB2 SER 13 2HB SER 13 -2.043 -15.183 -31.396 4 HB3 SER 13 3HB SER 13 -1.585 -16.265 -32.711 5 HG SER 13 HG SER 13 -3.434 -17.096 -31.868 6 H LEU 14 H LEU 14 1.202 -14.543 -30.513 7 HA LEU 14 HA LEU 14 2.318 -14.371 -33.150 8 HB2 LEU 14 2HB LEU 14 2.689 -12.939 -30.568 9 HB3 LEU 14 3HB LEU 14 3.947 -12.797 -31.793 10 HG LEU 14 HG LEU 14 2.309 -11.878 -33.365 11 HD11 LEU 14 1HD1 LEU 14 0.444 -12.648 -31.214 12 HD12 LEU 14 2HD1 LEU 14 0.206 -12.589 -32.960 13 HD13 LEU 14 3HD1 LEU 14 0.128 -11.105 -32.010 14 HD21 LEU 14 3HD2 LEU 14 1.782 -9.768 -31.997 15 HD22 LEU 14 1HD2 LEU 14 3.474 -10.218 -32.216 16 HD23 LEU 14 2HD2 LEU 14 2.659 -10.567 -30.691 17 H LYS 15 H LYS 15 4.720 -14.353 -33.472 18 HA LYS 15 HA LYS 15 5.882 -16.701 -32.144 19 HB2 LYS 15 2HB LYS 15 6.403 -15.411 -34.817 20 HB3 LYS 15 3HB LYS 15 7.489 -16.611 -34.130 21 HG2 LYS 15 2HG LYS 15 4.573 -17.037 -34.749 22 HG3 LYS 15 3HG LYS 15 5.932 -17.601 -35.725 23 HD2 LYS 15 2HD LYS 15 6.071 -19.438 -34.481 24 HD3 LYS 15 3HD LYS 15 6.347 -18.452 -33.044 25 HE2 LYS 15 2HE LYS 15 4.183 -18.597 -32.363 26 HE3 LYS 15 3HE LYS 15 3.557 -18.659 -34.011 27 HZ1 LYS 15 3HZ LYS 15 4.704 -20.980 -33.999 28 HZ2 LYS 15 1HZ LYS 15 3.176 -20.784 -33.300 29 HZ3 LYS 15 2HZ LYS 15 4.553 -20.842 -32.320 30 H ALA 16 H ALA 16 8.427 -16.568 -32.238 31 HA ALA 16 HA ALA 16 9.178 -13.989 -31.025 32 HB1 ALA 16 3HB ALA 16 9.214 -15.781 -29.402 33 HB2 ALA 16 1HB ALA 16 10.253 -16.748 -30.450 34 HB3 ALA 16 2HB ALA 16 10.863 -15.252 -29.740 35 H CYS 17 H CYS 17 10.417 -12.811 -32.319 36 HA CYS 17 HA CYS 17 11.639 -13.615 -34.656 37 HB2 CYS 17 2HB CYS 17 11.250 -11.240 -33.729 38 HB3 CYS 17 3HB CYS 17 12.808 -11.438 -32.938 39 HG CYS 17 HG CYS 17 12.182 -11.343 -36.292 40 H ILE 18 H ILE 18 13.832 -14.000 -35.234 41 HA ILE 18 HA ILE 18 15.210 -15.666 -33.322 42 HB ILE 18 HB ILE 18 16.783 -16.130 -35.148 43 HG12 ILE 18 2HG1 ILE 18 15.107 -14.155 -36.712 44 HG13 ILE 18 3HG1 ILE 18 16.777 -13.919 -36.207 45 HG21 ILE 18 1HG2 ILE 18 15.221 -17.261 -36.637 46 HG22 ILE 18 2HG2 ILE 18 14.716 -17.425 -34.957 47 HG23 ILE 18 3HG2 ILE 18 13.898 -16.275 -36.015 48 HD11 ILE 18 3HD1 ILE 18 17.485 -15.746 -37.632 49 HD12 ILE 18 1HD1 ILE 18 15.813 -16.043 -38.107 50 HD13 ILE 18 2HD1 ILE 18 16.604 -14.532 -38.561 51 H ARG 19 H ARG 19 15.114 -12.442 -33.682 52 HA ARG 19 HA ARG 19 17.979 -11.998 -33.261 53 HB2 ARG 19 2HB ARG 19 15.779 -9.954 -33.607 54 HB3 ARG 19 3HB ARG 19 17.511 -9.647 -33.615 55 HG2 ARG 19 2HG ARG 19 17.468 -11.361 -35.610 56 HG3 ARG 19 3HG ARG 19 15.784 -10.844 -35.714 57 HD2 ARG 19 2HD ARG 19 16.831 -9.342 -37.118 58 HD3 ARG 19 3HD ARG 19 16.789 -8.451 -35.597 59 HE ARG 19 HE ARG 19 19.190 -9.772 -35.581 60 HH11 ARG 19 1HH1 ARG 19 17.610 -7.497 -37.691 61 HH12 ARG 19 2HH1 ARG 19 19.089 -6.783 -38.244 62 HH21 ARG 19 1HH2 ARG 19 21.143 -8.841 -36.300 63 HH22 ARG 19 2HH2 ARG 19 21.098 -7.549 -37.452 64 H CYS 20 H CYS 20 15.025 -10.552 -31.885 65 HA CYS 20 HA CYS 20 16.225 -10.871 -29.214 66 HB2 CYS 20 2HB CYS 20 15.025 -8.703 -28.633 67 HB3 CYS 20 3HB CYS 20 16.431 -8.556 -29.681 68 HG CYS 20 HG CYS 20 13.442 -7.421 -30.176 69 H ASN 21 H ASN 21 14.170 -12.393 -30.825 70 HA ASN 21 HA ASN 21 12.154 -13.413 -30.532 71 HB2 ASN 21 2HB ASN 21 12.814 -12.829 -27.637 72 HB3 ASN 21 3HB ASN 21 11.572 -13.955 -28.181 73 HD21 ASN 21 1HD2 ASN 21 12.167 -15.987 -28.197 74 HD22 ASN 21 2HD2 ASN 21 13.774 -16.582 -28.411 75 H SER 22 H SER 22 11.714 -10.949 -31.408 76 HA SER 22 HA SER 22 9.942 -9.499 -29.639 77 HB2 SER 22 2HB SER 22 10.756 -7.839 -30.920 78 HB3 SER 22 3HB SER 22 11.334 -8.972 -32.142 79 HG SER 22 HG SER 22 9.304 -8.957 -33.078 80 HA PRO 23 HA PRO 23 6.094 -11.175 -30.911 81 HB2 PRO 23 2HB PRO 23 4.510 -8.974 -31.045 82 HB3 PRO 23 3HB PRO 23 5.079 -9.657 -29.517 83 HG2 PRO 23 2HG PRO 23 6.145 -7.327 -31.063 84 HG3 PRO 23 3HG PRO 23 5.887 -7.486 -29.315 85 HD2 PRO 23 2HD PRO 23 8.325 -7.767 -30.459 86 HD3 PRO 23 3HD PRO 23 7.842 -8.667 -29.007 87 H ALA 24 H ALA 24 6.220 -12.005 -32.949 88 HA ALA 24 HA ALA 24 5.941 -10.148 -35.215 89 HB1 ALA 24 3HB ALA 24 6.554 -12.985 -35.739 90 HB2 ALA 24 1HB ALA 24 7.209 -11.524 -36.478 91 HB3 ALA 24 2HB ALA 24 7.802 -12.059 -34.904 92 H LYS 25 H LYS 25 4.073 -10.052 -36.268 93 HA LYS 25 HA LYS 25 1.767 -11.385 -35.484 94 HB2 LYS 25 2HB LYS 25 1.612 -9.345 -36.739 95 HB3 LYS 25 3HB LYS 25 2.464 -10.055 -38.104 96 HG2 LYS 25 2HG LYS 25 0.060 -9.857 -38.513 97 HG3 LYS 25 3HG LYS 25 0.601 -11.537 -38.540 98 HD2 LYS 25 2HD LYS 25 -1.492 -11.342 -37.324 99 HD3 LYS 25 3HD LYS 25 -0.190 -11.810 -36.227 100 HE2 LYS 25 2HE LYS 25 -0.008 -9.551 -35.410 101 HE3 LYS 25 3HE LYS 25 -1.182 -8.986 -36.598 102 HZ1 LYS 25 3HZ LYS 25 -2.831 -9.519 -35.239 103 HZ2 LYS 25 1HZ LYS 25 -1.695 -9.883 -34.037 104 HZ3 LYS 25 2HZ LYS 25 -2.266 -11.103 -35.060 105 H TYR 26 H TYR 26 1.658 -13.553 -35.437 106 HA TYR 26 HA TYR 26 2.808 -15.179 -37.520 107 HB2 TYR 26 2HB TYR 26 2.923 -16.085 -35.322 108 HB3 TYR 26 3HB TYR 26 1.206 -15.815 -35.044 109 HD1 TYR 26 HD1 TYR 26 2.870 -17.356 -37.996 110 HD2 TYR 26 HD2 TYR 26 0.365 -17.951 -34.608 111 HE1 TYR 26 HE1 TYR 26 2.393 -19.645 -38.758 112 HE2 TYR 26 HE2 TYR 26 -0.118 -20.242 -35.361 113 HH TYR 26 HH TYR 26 0.978 -21.976 -36.803 114 H ASP 27 H ASP 27 1.823 -15.935 -39.277 115 HA ASP 27 HA ASP 27 -1.114 -15.743 -39.421 116 HB2 ASP 27 2HB ASP 27 0.877 -14.531 -41.093 117 HB3 ASP 27 3HB ASP 27 -0.049 -15.688 -42.046 118 H CYS 28 H CYS 28 -1.465 -17.886 -38.853 119 HA CYS 28 HA CYS 28 -0.121 -20.121 -39.789 120 HB2 CYS 28 2HB CYS 28 -2.153 -21.391 -39.210 121 HB3 CYS 28 3HB CYS 28 -1.730 -20.229 -37.958 122 HG CYS 28 HG CYS 28 -4.173 -19.730 -40.303 123 H TYR 29 H TYR 29 -2.403 -18.087 -41.401 124 HA TYR 29 HA TYR 29 -3.472 -19.727 -43.336 125 HB2 TYR 29 2HB TYR 29 -3.284 -16.954 -42.893 126 HB3 TYR 29 3HB TYR 29 -2.699 -17.221 -44.532 127 HD1 TYR 29 HD1 TYR 29 -5.587 -17.619 -42.273 128 HD2 TYR 29 HD2 TYR 29 -4.188 -17.875 -46.283 129 HE1 TYR 29 HE1 TYR 29 -7.909 -17.785 -43.067 130 HE2 TYR 29 HE2 TYR 29 -6.506 -18.040 -47.089 131 HH TYR 29 HH TYR 29 -9.000 -17.135 -45.714 132 H LEU 30 H LEU 30 -0.353 -18.033 -43.410 133 HA LEU 30 HA LEU 30 0.465 -19.823 -45.603 134 HB2 LEU 30 2HB LEU 30 1.494 -17.034 -45.133 135 HB3 LEU 30 3HB LEU 30 1.835 -18.082 -46.508 136 HG LEU 30 HG LEU 30 -0.745 -16.667 -45.864 137 HD11 LEU 30 1HD1 LEU 30 1.342 -16.434 -48.001 138 HD12 LEU 30 2HD1 LEU 30 0.673 -15.178 -46.960 139 HD13 LEU 30 3HD1 LEU 30 -0.306 -15.860 -48.259 140 HD21 LEU 30 3HD2 LEU 30 -1.040 -17.860 -48.332 141 HD22 LEU 30 1HD2 LEU 30 -1.798 -18.379 -46.826 142 HD23 LEU 30 2HD2 LEU 30 -0.287 -19.121 -47.353 143 H GLN 31 H GLN 31 0.759 -19.667 -42.501 144 HA GLN 31 HA GLN 31 2.331 -20.156 -40.924 145 HB2 GLN 31 2HB GLN 31 3.350 -21.601 -43.357 146 HB3 GLN 31 3HB GLN 31 4.196 -21.699 -41.818 147 HG2 GLN 31 2HG GLN 31 2.885 -23.515 -41.575 148 HG3 GLN 31 3HG GLN 31 1.748 -22.311 -40.973 149 HE21 GLN 31 1HE2 GLN 31 -0.101 -23.349 -41.548 150 HE22 GLN 31 2HE2 GLN 31 -0.570 -23.638 -43.185 151 H ARG 32 H ARG 32 2.637 -17.608 -41.813 152 HA ARG 32 HA ARG 32 5.566 -17.297 -41.914 153 HB2 ARG 32 2HB ARG 32 5.235 -15.221 -43.181 154 HB3 ARG 32 3HB ARG 32 4.580 -16.609 -44.038 155 HG2 ARG 32 2HG ARG 32 2.516 -15.773 -44.033 156 HG3 ARG 32 3HG ARG 32 2.616 -15.304 -42.335 157 HD2 ARG 32 2HD ARG 32 2.313 -13.408 -43.950 158 HD3 ARG 32 3HD ARG 32 3.704 -13.263 -42.877 159 HE ARG 32 HE ARG 32 4.557 -14.486 -45.236 160 HH11 ARG 32 1HH1 ARG 32 3.318 -11.416 -44.158 161 HH12 ARG 32 2HH1 ARG 32 4.144 -10.507 -45.379 162 HH21 ARG 32 1HH2 ARG 32 5.650 -13.299 -46.849 163 HH22 ARG 32 2HH2 ARG 32 5.469 -11.578 -46.910 164 H ALA 33 H ALA 33 6.376 -15.303 -40.932 165 HA ALA 33 HA ALA 33 4.591 -14.167 -38.893 166 HB1 ALA 33 3HB ALA 33 6.963 -15.801 -38.444 167 HB2 ALA 33 1HB ALA 33 7.007 -14.255 -37.596 168 HB3 ALA 33 2HB ALA 33 5.660 -15.364 -37.340 169 H THR 34 H THR 34 4.719 -12.015 -38.718 170 HA THR 34 HA THR 34 6.916 -10.657 -40.136 171 HB THR 34 HB THR 34 4.818 -8.824 -39.592 172 HG1 THR 34 HG1 THR 34 3.183 -10.000 -40.908 173 HG21 THR 34 1HG2 THR 34 5.161 -10.026 -42.293 174 HG22 THR 34 2HG2 THR 34 6.544 -9.205 -41.569 175 HG23 THR 34 3HG2 THR 34 5.032 -8.333 -41.818 176 H CYS 35 H CYS 35 8.424 -10.075 -38.701 177 HA CYS 35 HA CYS 35 8.070 -9.650 -35.976 178 HB2 CYS 35 2HB CYS 35 10.262 -10.019 -37.069 179 HB3 CYS 35 3HB CYS 35 10.172 -8.402 -37.758 180 HG CYS 35 HG CYS 35 9.784 -7.616 -34.793 181 H LYS 36 H LYS 36 6.902 -8.162 -34.976 182 HA LYS 36 HA LYS 36 6.313 -5.634 -36.304 183 HB2 LYS 36 2HB LYS 36 5.251 -6.767 -33.709 184 HB3 LYS 36 3HB LYS 36 4.671 -5.312 -34.507 185 HG2 LYS 36 2HG LYS 36 4.634 -7.944 -35.926 186 HG3 LYS 36 3HG LYS 36 3.354 -7.506 -34.793 187 HD2 LYS 36 2HD LYS 36 2.511 -5.897 -36.160 188 HD3 LYS 36 3HD LYS 36 4.090 -5.486 -36.830 189 HE2 LYS 36 2HE LYS 36 3.650 -6.717 -38.623 190 HE3 LYS 36 3HE LYS 36 3.478 -8.146 -37.604 191 HZ1 LYS 36 3HZ LYS 36 1.464 -7.934 -38.754 192 HZ2 LYS 36 1HZ LYS 36 1.367 -6.266 -38.481 193 HZ3 LYS 36 2HZ LYS 36 1.133 -7.349 -37.202 194 H ARG 37 H ARG 37 8.966 -5.840 -35.564 195 HA ARG 37 HA ARG 37 9.225 -4.278 -33.099 196 HB2 ARG 37 2HB ARG 37 10.658 -6.299 -33.446 197 HB3 ARG 37 3HB ARG 37 11.408 -5.479 -34.808 198 HG2 ARG 37 2HG ARG 37 11.389 -4.035 -32.229 199 HG3 ARG 37 3HG ARG 37 12.434 -5.452 -32.351 200 HD2 ARG 37 2HD ARG 37 13.000 -4.215 -34.686 201 HD3 ARG 37 3HD ARG 37 12.635 -2.825 -33.666 202 HE ARG 37 HE ARG 37 14.926 -4.549 -33.490 203 HH11 ARG 37 1HH1 ARG 37 12.864 -2.340 -31.762 204 HH12 ARG 37 2HH1 ARG 37 14.069 -1.932 -30.584 205 HH21 ARG 37 1HH2 ARG 37 16.520 -4.020 -31.946 206 HH22 ARG 37 2HH2 ARG 37 16.148 -2.888 -30.691 207 H GLU 38 H GLU 38 10.304 -2.289 -33.043 208 HA GLU 38 HA GLU 38 9.950 -0.686 -35.399 209 HB2 GLU 38 2HB GLU 38 10.984 -0.087 -32.631 210 HB3 GLU 38 3HB GLU 38 10.940 1.125 -33.904 211 HG2 GLU 38 2HG GLU 38 8.440 0.482 -34.091 212 HG3 GLU 38 3HG GLU 38 8.675 -0.206 -32.486 213 H GLY 39 H GLY 39 11.601 -2.336 -36.424 214 HA2 GLY 39 2HA GLY 39 13.829 -0.923 -37.254 215 HA3 GLY 39 3HA GLY 39 14.369 -1.913 -35.906 216 H CYS 40 H CYS 40 12.421 -4.044 -36.587 217 HA CYS 40 HA CYS 40 14.063 -5.342 -38.612 218 HB2 CYS 40 2HB CYS 40 12.406 -6.215 -36.367 219 HB3 CYS 40 3HB CYS 40 12.159 -7.182 -37.816 220 HG CYS 40 HG CYS 40 15.257 -7.142 -37.840 221 H GLY 41 H GLY 41 10.587 -5.727 -38.014 222 HA2 GLY 41 2HA GLY 41 8.835 -5.904 -39.495 223 HA3 GLY 41 3HA GLY 41 9.527 -4.454 -40.207 224 H PHE 42 H PHE 42 10.153 -7.966 -40.141 225 HA PHE 42 HA PHE 42 10.406 -7.878 -43.066 226 HB2 PHE 42 2HB PHE 42 12.346 -9.325 -43.014 227 HB3 PHE 42 3HB PHE 42 12.671 -7.901 -42.031 228 HD1 PHE 42 HD2 PHE 42 12.005 -8.208 -39.471 229 HD2 PHE 42 HD1 PHE 42 12.949 -11.363 -42.168 230 HE1 PHE 42 HE2 PHE 42 12.588 -9.656 -37.568 231 HE2 PHE 42 HE1 PHE 42 13.533 -12.816 -40.270 232 HZ PHE 42 HZ PHE 42 13.353 -11.963 -37.966 233 H ASP 43 H ASP 43 9.699 -9.697 -44.156 234 HA ASP 43 HA ASP 43 7.937 -11.431 -42.626 235 HB2 ASP 43 2HB ASP 43 6.918 -12.000 -44.677 236 HB3 ASP 43 3HB ASP 43 7.310 -10.289 -44.829 237 H TYR 44 H TYR 44 8.131 -13.629 -42.440 238 HA TYR 44 HA TYR 44 10.095 -15.138 -43.870 239 HB2 TYR 44 2HB TYR 44 11.430 -15.780 -41.865 240 HB3 TYR 44 3HB TYR 44 11.626 -14.092 -42.323 241 HD1 TYR 44 HD2 TYR 44 10.317 -12.340 -41.024 242 HD2 TYR 44 HD1 TYR 44 10.725 -16.364 -39.703 243 HE1 TYR 44 HE2 TYR 44 9.714 -11.647 -38.743 244 HE2 TYR 44 HE1 TYR 44 10.122 -15.682 -37.418 245 HH TYR 44 HH TYR 44 9.620 -13.990 -36.074 246 H CYS 45 H CYS 45 9.860 -17.364 -43.585 247 HA CYS 45 HA CYS 45 7.292 -18.233 -42.779 248 HB2 CYS 45 2HB CYS 45 9.240 -19.253 -44.389 249 HB3 CYS 45 3HB CYS 45 9.396 -20.289 -42.976 250 HG CYS 45 HG CYS 45 6.709 -19.947 -45.043 251 H THR 46 H THR 46 6.551 -18.915 -40.876 252 HA THR 46 HA THR 46 8.252 -18.811 -38.563 253 HB THR 46 HB THR 46 5.993 -18.002 -38.330 254 HG1 THR 46 HG1 THR 46 7.087 -19.459 -36.636 255 HG21 THR 46 1HG2 THR 46 5.344 -20.349 -39.844 256 HG22 THR 46 2HG2 THR 46 4.323 -18.967 -39.446 257 HG23 THR 46 3HG2 THR 46 4.419 -20.341 -38.344 258 H LYS 47 H LYS 47 7.755 -21.144 -40.836 259 HA LYS 47 HA LYS 47 7.625 -23.454 -39.127 260 HB2 LYS 47 2HB LYS 47 8.330 -23.259 -42.061 261 HB3 LYS 47 3HB LYS 47 7.941 -24.736 -41.189 262 HG2 LYS 47 2HG LYS 47 6.011 -22.447 -41.387 263 HG3 LYS 47 3HG LYS 47 6.112 -23.709 -42.618 264 HD2 LYS 47 2HD LYS 47 4.532 -24.673 -41.306 265 HD3 LYS 47 3HD LYS 47 5.957 -25.253 -40.439 266 HE2 LYS 47 2HE LYS 47 5.544 -23.961 -38.642 267 HE3 LYS 47 3HE LYS 47 5.006 -22.597 -39.621 268 HZ1 LYS 47 3HZ LYS 47 3.450 -24.519 -38.254 269 HZ2 LYS 47 1HZ LYS 47 3.088 -24.572 -39.906 270 HZ3 LYS 47 2HZ LYS 47 2.944 -23.117 -39.055 271 H CYS 48 H CYS 48 10.137 -22.044 -41.226 272 HA CYS 48 HA CYS 48 12.145 -23.502 -39.639 273 HB2 CYS 48 2HB CYS 48 13.622 -23.240 -41.656 274 HB3 CYS 48 3HB CYS 48 12.216 -24.268 -41.909 275 HG CYS 48 HG CYS 48 12.959 -22.482 -44.122 276 H LEU 49 H LEU 49 10.800 -20.599 -39.779 277 HA LEU 49 HA LEU 49 11.415 -18.460 -39.298 278 HB2 LEU 49 2HB LEU 49 13.637 -19.965 -37.931 279 HB3 LEU 49 3HB LEU 49 13.324 -18.244 -37.710 280 HG LEU 49 HG LEU 49 11.543 -20.538 -36.896 281 HD11 LEU 49 1HD1 LEU 49 12.267 -20.232 -34.788 282 HD12 LEU 49 2HD1 LEU 49 12.421 -18.486 -34.980 283 HD13 LEU 49 3HD1 LEU 49 13.687 -19.554 -35.587 284 HD21 LEU 49 3HD2 LEU 49 10.047 -18.828 -35.989 285 HD22 LEU 49 1HD2 LEU 49 10.188 -18.699 -37.742 286 HD23 LEU 49 2HD2 LEU 49 11.054 -17.567 -36.703 287 H CYS 50 H CYS 50 11.962 -18.761 -41.804 288 HA CYS 50 HA CYS 50 14.526 -17.406 -42.157 289 HB2 CYS 50 2HB CYS 50 13.777 -20.040 -43.318 290 HB3 CYS 50 3HB CYS 50 14.629 -18.912 -44.365 291 HG CYS 50 HG CYS 50 16.980 -19.026 -43.206 292 H ASN 51 H ASN 51 14.713 -16.460 -44.385 293 HA ASN 51 HA ASN 51 12.628 -14.756 -44.947 294 HB2 ASN 51 2HB ASN 51 14.567 -15.765 -47.033 295 HB3 ASN 51 3HB ASN 51 13.763 -14.200 -46.984 296 HD21 ASN 51 1HD2 ASN 51 14.132 -13.383 -44.445 297 HD22 ASN 51 2HD2 ASN 51 15.817 -13.188 -44.110 298 H TYR 52 H TYR 52 10.676 -15.014 -45.791 299 HA TYR 52 HA TYR 52 9.571 -17.419 -46.564 300 HB2 TYR 52 2HB TYR 52 8.472 -15.100 -46.054 301 HB3 TYR 52 3HB TYR 52 8.588 -14.866 -47.794 302 HD1 TYR 52 HD1 TYR 52 7.361 -17.365 -45.303 303 HD2 TYR 52 HD2 TYR 52 6.841 -15.584 -49.132 304 HE1 TYR 52 HE1 TYR 52 5.278 -18.637 -45.605 305 HE2 TYR 52 HE2 TYR 52 4.756 -16.850 -49.444 306 HH TYR 52 HH TYR 52 3.917 -19.470 -47.691 307 H HIS 53 H HIS 53 8.568 -17.846 -48.782 308 HA HIS 53 HA HIS 53 10.721 -17.988 -50.690 309 HB2 HIS 53 2HB HIS 53 7.859 -18.862 -51.095 310 HB3 HIS 53 3HB HIS 53 9.285 -19.421 -51.964 311 HD1 HIS 53 HD1 HIS 53 10.269 -21.538 -51.138 312 HD2 HIS 53 HD2 HIS 53 7.957 -19.666 -48.238 313 HE1 HIS 53 HE1 HIS 53 10.219 -23.128 -49.189 314 H THR 54 H THR 54 8.596 -15.613 -49.946 315 HA THR 54 HA THR 54 7.730 -14.779 -52.532 316 HB THR 54 HB THR 54 7.480 -12.505 -51.222 317 HG1 THR 54 HG1 THR 54 7.334 -12.862 -48.978 318 HG21 THR 54 1HG2 THR 54 5.540 -14.069 -49.934 319 HG22 THR 54 2HG2 THR 54 5.879 -14.885 -51.460 320 HG23 THR 54 3HG2 THR 54 5.374 -13.196 -51.457 321 H THR 55 H THR 55 9.948 -13.094 -50.305 322 HA THR 55 HA THR 55 11.054 -11.348 -52.128 323 HB THR 55 HB THR 55 11.488 -11.099 -49.762 324 HG1 THR 55 HG1 THR 55 13.680 -10.592 -49.923 325 HG21 THR 55 1HG2 THR 55 11.653 -13.572 -49.309 326 HG22 THR 55 2HG2 THR 55 12.858 -12.580 -48.489 327 HG23 THR 55 3HG2 THR 55 13.304 -13.501 -49.926 328 H LYS 56 H LYS 56 11.995 -14.675 -51.420 329 HA LYS 56 HA LYS 56 13.034 -15.174 -53.963 330 HB2 LYS 56 2HB LYS 56 14.863 -13.816 -52.191 331 HB3 LYS 56 3HB LYS 56 15.478 -15.415 -52.592 332 HG2 LYS 56 2HG LYS 56 14.442 -13.850 -54.858 333 HG3 LYS 56 3HG LYS 56 15.896 -13.215 -54.086 334 HD2 LYS 56 2HD LYS 56 17.099 -14.706 -55.213 335 HD3 LYS 56 3HD LYS 56 16.267 -15.996 -54.342 336 HE2 LYS 56 2HE LYS 56 14.856 -16.441 -56.074 337 HE3 LYS 56 3HE LYS 56 14.849 -14.770 -56.638 338 HZ1 LYS 56 3HZ LYS 56 16.040 -15.856 -58.266 339 HZ2 LYS 56 1HZ LYS 56 16.810 -16.899 -57.180 340 HZ3 LYS 56 2HZ LYS 56 17.281 -15.277 -57.273 341 H ASP 57 H ASP 57 14.757 -17.147 -53.708 342 HA ASP 57 HA ASP 57 13.322 -19.323 -52.818 343 HB2 ASP 57 2HB ASP 57 16.330 -19.058 -53.030 344 HB3 ASP 57 3HB ASP 57 15.454 -20.582 -52.910 345 H CYS 58 H CYS 58 12.796 -20.075 -50.881 346 HA CYS 58 HA CYS 58 13.388 -18.862 -48.481 347 HB2 CYS 58 2HB CYS 58 11.544 -20.397 -48.650 348 HB3 CYS 58 3HB CYS 58 12.624 -21.731 -49.038 349 HG CYS 58 HG CYS 58 13.821 -21.759 -46.489 Start of MODEL 9 1 H SER 13 H SER 13 -0.050 -14.929 -28.185 2 HA SER 13 HA SER 13 0.133 -17.267 -29.911 3 HB2 SER 13 2HB SER 13 -1.604 -14.827 -29.832 4 HB3 SER 13 3HB SER 13 -1.452 -15.728 -31.341 5 HG SER 13 HG SER 13 -2.975 -16.296 -29.253 6 H LEU 14 H LEU 14 1.800 -14.413 -29.448 7 HA LEU 14 HA LEU 14 2.420 -13.856 -32.208 8 HB2 LEU 14 2HB LEU 14 3.268 -12.766 -29.566 9 HB3 LEU 14 3HB LEU 14 4.256 -12.432 -30.986 10 HG LEU 14 HG LEU 14 2.683 -10.610 -30.447 11 HD11 LEU 14 1HD1 LEU 14 3.436 -10.839 -32.719 12 HD12 LEU 14 2HD1 LEU 14 1.731 -10.390 -32.721 13 HD13 LEU 14 3HD1 LEU 14 2.203 -12.058 -33.047 14 HD21 LEU 14 3HD2 LEU 14 0.451 -12.403 -31.335 15 HD22 LEU 14 1HD2 LEU 14 0.369 -10.849 -30.506 16 HD23 LEU 14 2HD2 LEU 14 0.905 -12.285 -29.634 17 H LYS 15 H LYS 15 4.335 -14.269 -33.280 18 HA LYS 15 HA LYS 15 5.842 -16.541 -32.271 19 HB2 LYS 15 2HB LYS 15 4.937 -15.982 -34.744 20 HB3 LYS 15 3HB LYS 15 6.553 -15.301 -34.868 21 HG2 LYS 15 2HG LYS 15 6.581 -17.562 -35.665 22 HG3 LYS 15 3HG LYS 15 7.487 -17.472 -34.153 23 HD2 LYS 15 2HD LYS 15 6.057 -19.453 -34.211 24 HD3 LYS 15 3HD LYS 15 5.550 -18.339 -32.938 25 HE2 LYS 15 2HE LYS 15 3.536 -18.071 -33.855 26 HE3 LYS 15 3HE LYS 15 4.222 -17.787 -35.454 27 HZ1 LYS 15 3HZ LYS 15 4.216 -20.055 -35.936 28 HZ2 LYS 15 1HZ LYS 15 2.731 -19.802 -35.166 29 HZ3 LYS 15 2HZ LYS 15 4.014 -20.508 -34.319 30 H ALA 16 H ALA 16 7.856 -16.458 -31.486 31 HA ALA 16 HA ALA 16 9.077 -13.900 -31.016 32 HB1 ALA 16 3HB ALA 16 10.936 -15.772 -30.254 33 HB2 ALA 16 1HB ALA 16 9.675 -15.091 -29.225 34 HB3 ALA 16 2HB ALA 16 9.407 -16.628 -30.048 35 H CYS 17 H CYS 17 10.394 -12.885 -32.367 36 HA CYS 17 HA CYS 17 11.259 -13.897 -34.815 37 HB2 CYS 17 2HB CYS 17 11.103 -11.462 -34.096 38 HB3 CYS 17 3HB CYS 17 12.653 -11.692 -33.298 39 HG CYS 17 HG CYS 17 12.562 -12.603 -36.532 40 H ILE 18 H ILE 18 13.412 -14.369 -35.569 41 HA ILE 18 HA ILE 18 14.830 -16.089 -33.736 42 HB ILE 18 HB ILE 18 16.203 -16.712 -35.639 43 HG12 ILE 18 2HG1 ILE 18 14.705 -14.552 -37.139 44 HG13 ILE 18 3HG1 ILE 18 16.402 -14.491 -36.674 45 HG21 ILE 18 1HG2 ILE 18 13.384 -16.985 -35.490 46 HG22 ILE 18 2HG2 ILE 18 13.831 -16.839 -37.188 47 HG23 ILE 18 3HG2 ILE 18 14.560 -18.096 -36.189 48 HD11 ILE 18 3HD1 ILE 18 15.918 -16.888 -38.142 49 HD12 ILE 18 1HD1 ILE 18 15.284 -15.508 -39.039 50 HD13 ILE 18 2HD1 ILE 18 16.974 -15.532 -38.535 51 H ARG 19 H ARG 19 14.885 -12.865 -34.151 52 HA ARG 19 HA ARG 19 17.789 -12.570 -33.940 53 HB2 ARG 19 2HB ARG 19 15.642 -10.454 -34.174 54 HB3 ARG 19 3HB ARG 19 17.377 -10.171 -34.214 55 HG2 ARG 19 2HG ARG 19 17.124 -11.978 -36.205 56 HG3 ARG 19 3HG ARG 19 15.570 -11.148 -36.309 57 HD2 ARG 19 2HD ARG 19 16.840 -9.817 -37.673 58 HD3 ARG 19 3HD ARG 19 17.070 -9.000 -36.127 59 HE ARG 19 HE ARG 19 19.098 -10.880 -36.365 60 HH11 ARG 19 1HH1 ARG 19 18.023 -8.006 -38.010 61 HH12 ARG 19 2HH1 ARG 19 19.608 -7.564 -38.549 62 HH21 ARG 19 1HH2 ARG 19 21.190 -10.309 -37.070 63 HH22 ARG 19 2HH2 ARG 19 21.410 -8.875 -38.014 64 H CYS 20 H CYS 20 15.087 -10.871 -32.362 65 HA CYS 20 HA CYS 20 16.463 -11.273 -29.787 66 HB2 CYS 20 2HB CYS 20 15.418 -9.050 -29.131 67 HB3 CYS 20 3HB CYS 20 16.731 -8.974 -30.300 68 HG CYS 20 HG CYS 20 15.188 -7.173 -31.445 69 H ASN 21 H ASN 21 14.173 -12.656 -31.253 70 HA ASN 21 HA ASN 21 12.138 -13.569 -30.786 71 HB2 ASN 21 2HB ASN 21 12.838 -13.080 -27.890 72 HB3 ASN 21 3HB ASN 21 11.835 -14.365 -28.558 73 HD21 ASN 21 1HD2 ASN 21 12.933 -15.902 -30.007 74 HD22 ASN 21 2HD2 ASN 21 14.566 -16.337 -29.647 75 H SER 22 H SER 22 11.374 -11.404 -31.694 76 HA SER 22 HA SER 22 9.986 -9.791 -29.678 77 HB2 SER 22 2HB SER 22 10.580 -8.075 -30.988 78 HB3 SER 22 3HB SER 22 11.272 -9.190 -32.166 79 HG SER 22 HG SER 22 8.919 -7.812 -32.243 80 HA PRO 23 HA PRO 23 5.982 -11.301 -30.636 81 HB2 PRO 23 2HB PRO 23 4.473 -9.045 -30.581 82 HB3 PRO 23 3HB PRO 23 5.150 -9.784 -29.125 83 HG2 PRO 23 2HG PRO 23 6.159 -7.454 -30.711 84 HG3 PRO 23 3HG PRO 23 6.050 -7.647 -28.952 85 HD2 PRO 23 2HD PRO 23 8.365 -7.983 -30.314 86 HD3 PRO 23 3HD PRO 23 7.981 -8.901 -28.845 87 H ALA 24 H ALA 24 6.418 -11.977 -32.808 88 HA ALA 24 HA ALA 24 5.795 -10.087 -34.944 89 HB1 ALA 24 3HB ALA 24 6.501 -11.937 -36.445 90 HB2 ALA 24 1HB ALA 24 7.747 -11.435 -35.303 91 HB3 ALA 24 2HB ALA 24 6.832 -12.916 -35.017 92 H LYS 25 H LYS 25 3.916 -10.049 -36.010 93 HA LYS 25 HA LYS 25 1.663 -11.443 -35.088 94 HB2 LYS 25 2HB LYS 25 1.379 -9.335 -36.194 95 HB3 LYS 25 3HB LYS 25 2.161 -9.930 -37.652 96 HG2 LYS 25 2HG LYS 25 -0.271 -9.768 -37.891 97 HG3 LYS 25 3HG LYS 25 0.310 -11.424 -38.080 98 HD2 LYS 25 2HD LYS 25 -1.696 -11.405 -36.724 99 HD3 LYS 25 3HD LYS 25 -0.312 -11.879 -35.736 100 HE2 LYS 25 2HE LYS 25 -0.177 -9.671 -34.785 101 HE3 LYS 25 3HE LYS 25 -1.436 -9.084 -35.870 102 HZ1 LYS 25 3HZ LYS 25 -2.341 -11.338 -34.407 103 HZ2 LYS 25 1HZ LYS 25 -2.991 -9.779 -34.475 104 HZ3 LYS 25 2HZ LYS 25 -1.780 -10.142 -33.351 105 H TYR 26 H TYR 26 1.765 -13.635 -35.136 106 HA TYR 26 HA TYR 26 2.763 -15.091 -37.389 107 HB2 TYR 26 2HB TYR 26 3.030 -16.180 -35.319 108 HB3 TYR 26 3HB TYR 26 1.363 -15.875 -34.844 109 HD1 TYR 26 HD2 TYR 26 3.185 -17.595 -37.626 110 HD2 TYR 26 HD1 TYR 26 -0.041 -17.697 -34.852 111 HE1 TYR 26 HE2 TYR 26 2.545 -19.818 -38.459 112 HE2 TYR 26 HE1 TYR 26 -0.687 -19.922 -35.678 113 HH TYR 26 HH TYR 26 0.894 -21.923 -37.002 114 H ASP 27 H ASP 27 1.631 -16.283 -38.904 115 HA ASP 27 HA ASP 27 -1.283 -15.926 -38.984 116 HB2 ASP 27 2HB ASP 27 0.700 -14.915 -40.896 117 HB3 ASP 27 3HB ASP 27 -0.597 -15.844 -41.643 118 H CYS 28 H CYS 28 -1.829 -18.007 -38.566 119 HA CYS 28 HA CYS 28 -0.479 -20.293 -39.415 120 HB2 CYS 28 2HB CYS 28 -2.234 -20.210 -37.636 121 HB3 CYS 28 3HB CYS 28 -3.449 -20.053 -38.898 122 HG CYS 28 HG CYS 28 -3.833 -22.611 -38.578 123 H TYR 29 H TYR 29 -2.535 -18.159 -41.147 124 HA TYR 29 HA TYR 29 -3.668 -19.749 -43.090 125 HB2 TYR 29 2HB TYR 29 -3.259 -16.992 -42.695 126 HB3 TYR 29 3HB TYR 29 -2.632 -17.346 -44.301 127 HD1 TYR 29 HD1 TYR 29 -5.637 -17.497 -42.159 128 HD2 TYR 29 HD2 TYR 29 -4.096 -17.858 -46.108 129 HE1 TYR 29 HE1 TYR 29 -7.930 -17.482 -43.049 130 HE2 TYR 29 HE2 TYR 29 -6.384 -17.844 -47.009 131 HH TYR 29 HH TYR 29 -8.548 -17.514 -46.534 132 H LEU 30 H LEU 30 -0.472 -18.176 -43.231 133 HA LEU 30 HA LEU 30 0.329 -20.206 -45.211 134 HB2 LEU 30 2HB LEU 30 1.342 -17.374 -45.039 135 HB3 LEU 30 3HB LEU 30 1.768 -18.575 -46.257 136 HG LEU 30 HG LEU 30 -0.890 -17.195 -45.909 137 HD11 LEU 30 1HD1 LEU 30 0.302 -17.090 -48.520 138 HD12 LEU 30 2HD1 LEU 30 1.425 -16.479 -47.305 139 HD13 LEU 30 3HD1 LEU 30 -0.183 -15.771 -47.454 140 HD21 LEU 30 3HD2 LEU 30 -1.767 -19.074 -46.748 141 HD22 LEU 30 1HD2 LEU 30 -0.190 -19.721 -47.201 142 HD23 LEU 30 2HD2 LEU 30 -1.012 -18.580 -48.264 143 H GLN 31 H GLN 31 0.597 -19.815 -42.161 144 HA GLN 31 HA GLN 31 2.144 -20.172 -40.527 145 HB2 GLN 31 2HB GLN 31 3.318 -21.726 -42.829 146 HB3 GLN 31 3HB GLN 31 4.013 -21.762 -41.215 147 HG2 GLN 31 2HG GLN 31 1.234 -22.625 -41.982 148 HG3 GLN 31 3HG GLN 31 2.586 -23.677 -41.567 149 HE21 GLN 31 1HE2 GLN 31 -0.026 -23.484 -40.327 150 HE22 GLN 31 2HE2 GLN 31 0.248 -23.088 -38.668 151 H ARG 32 H ARG 32 2.422 -17.682 -41.555 152 HA ARG 32 HA ARG 32 5.344 -17.325 -41.704 153 HB2 ARG 32 2HB ARG 32 5.069 -15.461 -43.131 154 HB3 ARG 32 3HB ARG 32 4.005 -16.705 -43.776 155 HG2 ARG 32 2HG ARG 32 2.205 -15.529 -42.300 156 HG3 ARG 32 3HG ARG 32 3.322 -14.165 -42.375 157 HD2 ARG 32 2HD ARG 32 2.290 -15.634 -44.796 158 HD3 ARG 32 3HD ARG 32 1.550 -14.173 -44.144 159 HE ARG 32 HE ARG 32 3.996 -14.360 -45.658 160 HH11 ARG 32 1HH1 ARG 32 2.113 -12.451 -43.439 161 HH12 ARG 32 2HH1 ARG 32 2.874 -10.956 -43.873 162 HH21 ARG 32 1HH2 ARG 32 5.007 -12.400 -46.239 163 HH22 ARG 32 2HH2 ARG 32 4.521 -10.928 -45.468 164 H ALA 33 H ALA 33 6.181 -15.365 -40.729 165 HA ALA 33 HA ALA 33 4.437 -14.201 -38.670 166 HB1 ALA 33 3HB ALA 33 6.887 -14.263 -37.435 167 HB2 ALA 33 1HB ALA 33 5.552 -15.376 -37.133 168 HB3 ALA 33 2HB ALA 33 6.829 -15.817 -38.267 169 H THR 34 H THR 34 4.622 -12.047 -38.419 170 HA THR 34 HA THR 34 6.775 -10.692 -39.910 171 HB THR 34 HB THR 34 4.601 -8.907 -39.386 172 HG1 THR 34 HG1 THR 34 3.056 -10.403 -39.458 173 HG21 THR 34 1HG2 THR 34 6.234 -8.660 -41.186 174 HG22 THR 34 2HG2 THR 34 4.595 -8.709 -41.835 175 HG23 THR 34 3HG2 THR 34 5.632 -10.131 -41.949 176 H CYS 35 H CYS 35 8.247 -9.895 -38.565 177 HA CYS 35 HA CYS 35 7.908 -9.500 -35.819 178 HB2 CYS 35 2HB CYS 35 10.104 -9.771 -36.922 179 HB3 CYS 35 3HB CYS 35 9.924 -8.178 -37.647 180 HG CYS 35 HG CYS 35 10.220 -8.830 -34.301 181 H LYS 36 H LYS 36 7.061 -7.907 -34.643 182 HA LYS 36 HA LYS 36 5.827 -5.667 -35.975 183 HB2 LYS 36 2HB LYS 36 5.918 -6.581 -33.104 184 HB3 LYS 36 3HB LYS 36 5.144 -5.077 -33.587 185 HG2 LYS 36 2HG LYS 36 4.400 -7.729 -34.781 186 HG3 LYS 36 3HG LYS 36 3.643 -7.092 -33.320 187 HD2 LYS 36 2HD LYS 36 2.322 -5.756 -34.515 188 HD3 LYS 36 3HD LYS 36 3.703 -5.084 -35.384 189 HE2 LYS 36 2HE LYS 36 3.567 -7.414 -36.639 190 HE3 LYS 36 3HE LYS 36 1.885 -7.317 -36.122 191 HZ1 LYS 36 3HZ LYS 36 3.309 -5.739 -38.097 192 HZ2 LYS 36 1HZ LYS 36 2.243 -4.873 -37.108 193 HZ3 LYS 36 2HZ LYS 36 1.675 -6.173 -38.030 194 H ARG 37 H ARG 37 8.716 -6.272 -34.160 195 HA ARG 37 HA ARG 37 9.354 -3.781 -33.161 196 HB2 ARG 37 2HB ARG 37 10.630 -6.088 -33.113 197 HB3 ARG 37 3HB ARG 37 11.491 -5.399 -34.484 198 HG2 ARG 37 2HG ARG 37 12.705 -4.066 -33.181 199 HG3 ARG 37 3HG ARG 37 11.297 -3.555 -32.249 200 HD2 ARG 37 2HD ARG 37 11.993 -6.300 -31.683 201 HD3 ARG 37 3HD ARG 37 13.362 -5.225 -31.405 202 HE ARG 37 HE ARG 37 10.887 -4.309 -30.251 203 HH11 ARG 37 1HH1 ARG 37 13.743 -6.244 -29.781 204 HH12 ARG 37 2HH1 ARG 37 13.670 -6.166 -28.051 205 HH21 ARG 37 1HH2 ARG 37 10.779 -4.200 -27.975 206 HH22 ARG 37 2HH2 ARG 37 11.984 -5.003 -27.025 207 H GLU 38 H GLU 38 9.445 -1.870 -34.121 208 HA GLU 38 HA GLU 38 9.310 -1.376 -36.833 209 HB2 GLU 38 2HB GLU 38 9.138 0.198 -34.701 210 HB3 GLU 38 3HB GLU 38 10.804 0.562 -35.130 211 HG2 GLU 38 2HG GLU 38 9.652 2.201 -36.249 212 HG3 GLU 38 3HG GLU 38 9.843 0.972 -37.498 213 H GLY 39 H GLY 39 12.133 -1.917 -34.821 214 HA2 GLY 39 2HA GLY 39 14.105 -1.034 -36.625 215 HA3 GLY 39 3HA GLY 39 14.351 -2.204 -35.338 216 H CYS 40 H CYS 40 12.408 -4.101 -36.344 217 HA CYS 40 HA CYS 40 14.040 -5.226 -38.500 218 HB2 CYS 40 2HB CYS 40 12.445 -6.337 -36.291 219 HB3 CYS 40 3HB CYS 40 12.277 -7.201 -37.815 220 HG CYS 40 HG CYS 40 15.437 -6.509 -36.888 221 H GLY 41 H GLY 41 10.608 -5.734 -37.761 222 HA2 GLY 41 2HA GLY 41 8.780 -5.811 -39.156 223 HA3 GLY 41 3HA GLY 41 9.420 -4.299 -39.785 224 H PHE 42 H PHE 42 10.039 -7.803 -40.038 225 HA PHE 42 HA PHE 42 10.176 -7.470 -42.952 226 HB2 PHE 42 2HB PHE 42 12.103 -8.913 -43.109 227 HB3 PHE 42 3HB PHE 42 12.478 -7.601 -41.996 228 HD1 PHE 42 HD1 PHE 42 11.857 -8.179 -39.458 229 HD2 PHE 42 HD2 PHE 42 12.752 -11.021 -42.498 230 HE1 PHE 42 HE1 PHE 42 12.487 -9.820 -37.735 231 HE2 PHE 42 HE2 PHE 42 13.382 -12.665 -40.780 232 HZ PHE 42 HZ PHE 42 13.250 -12.065 -38.395 233 H ASP 43 H ASP 43 9.589 -9.308 -44.174 234 HA ASP 43 HA ASP 43 7.725 -11.051 -42.780 235 HB2 ASP 43 2HB ASP 43 6.807 -11.557 -44.891 236 HB3 ASP 43 3HB ASP 43 7.238 -9.853 -44.991 237 H TYR 44 H TYR 44 7.876 -13.257 -42.640 238 HA TYR 44 HA TYR 44 9.815 -14.810 -44.010 239 HB2 TYR 44 2HB TYR 44 11.225 -15.408 -42.070 240 HB3 TYR 44 3HB TYR 44 11.379 -13.710 -42.505 241 HD1 TYR 44 HD2 TYR 44 10.037 -12.011 -41.144 242 HD2 TYR 44 HD1 TYR 44 10.645 -16.030 -39.889 243 HE1 TYR 44 HE2 TYR 44 9.493 -11.364 -38.834 244 HE2 TYR 44 HE1 TYR 44 10.102 -15.396 -37.575 245 HH TYR 44 HH TYR 44 8.732 -13.521 -36.454 246 H CYS 45 H CYS 45 9.725 -17.063 -43.440 247 HA CYS 45 HA CYS 45 7.106 -17.842 -42.553 248 HB2 CYS 45 2HB CYS 45 9.018 -18.933 -44.249 249 HB3 CYS 45 3HB CYS 45 9.016 -20.020 -42.865 250 HG CYS 45 HG CYS 45 6.816 -19.732 -45.315 251 H THR 46 H THR 46 6.552 -19.010 -40.737 252 HA THR 46 HA THR 46 8.385 -18.741 -38.495 253 HB THR 46 HB THR 46 6.117 -18.027 -38.090 254 HG1 THR 46 HG1 THR 46 6.505 -20.531 -36.785 255 HG21 THR 46 1HG2 THR 46 4.439 -19.035 -39.161 256 HG22 THR 46 2HG2 THR 46 4.605 -20.385 -38.038 257 HG23 THR 46 3HG2 THR 46 5.464 -20.407 -39.577 258 H LYS 47 H LYS 47 7.583 -21.088 -40.754 259 HA LYS 47 HA LYS 47 7.757 -23.413 -39.103 260 HB2 LYS 47 2HB LYS 47 8.041 -23.045 -42.089 261 HB3 LYS 47 3HB LYS 47 8.029 -24.611 -41.287 262 HG2 LYS 47 2HG LYS 47 5.772 -22.666 -40.957 263 HG3 LYS 47 3HG LYS 47 5.851 -23.776 -42.327 264 HD2 LYS 47 2HD LYS 47 4.696 -25.123 -40.923 265 HD3 LYS 47 3HD LYS 47 6.312 -25.503 -40.323 266 HE2 LYS 47 2HE LYS 47 6.051 -24.224 -38.423 267 HE3 LYS 47 3HE LYS 47 4.828 -23.191 -39.159 268 HZ1 LYS 47 3HZ LYS 47 3.957 -25.898 -39.004 269 HZ2 LYS 47 1HZ LYS 47 3.220 -24.497 -38.402 270 HZ3 LYS 47 2HZ LYS 47 4.382 -25.307 -37.476 271 H CYS 48 H CYS 48 9.949 -22.467 -41.746 272 HA CYS 48 HA CYS 48 12.139 -23.830 -40.426 273 HB2 CYS 48 2HB CYS 48 13.405 -23.311 -42.469 274 HB3 CYS 48 3HB CYS 48 11.865 -24.073 -42.845 275 HG CYS 48 HG CYS 48 12.816 -21.821 -44.558 276 H LEU 49 H LEU 49 10.808 -20.802 -40.236 277 HA LEU 49 HA LEU 49 11.492 -18.799 -39.402 278 HB2 LEU 49 2HB LEU 49 13.486 -20.697 -38.224 279 HB3 LEU 49 3HB LEU 49 13.615 -18.964 -37.930 280 HG LEU 49 HG LEU 49 11.280 -20.721 -37.176 281 HD11 LEU 49 1HD1 LEU 49 12.575 -19.376 -35.006 282 HD12 LEU 49 2HD1 LEU 49 13.753 -20.327 -35.908 283 HD13 LEU 49 3HD1 LEU 49 12.311 -21.102 -35.253 284 HD21 LEU 49 3HD2 LEU 49 11.778 -17.770 -36.874 285 HD22 LEU 49 1HD2 LEU 49 10.600 -18.650 -35.900 286 HD23 LEU 49 2HD2 LEU 49 10.414 -18.574 -37.653 287 H CYS 50 H CYS 50 12.097 -19.012 -42.000 288 HA CYS 50 HA CYS 50 14.637 -17.566 -42.176 289 HB2 CYS 50 2HB CYS 50 13.839 -19.809 -44.043 290 HB3 CYS 50 3HB CYS 50 15.260 -18.786 -44.219 291 HG CYS 50 HG CYS 50 16.436 -19.701 -41.817 292 H ASN 51 H ASN 51 14.826 -16.771 -44.624 293 HA ASN 51 HA ASN 51 12.931 -14.805 -45.001 294 HB2 ASN 51 2HB ASN 51 14.461 -16.081 -47.270 295 HB3 ASN 51 3HB ASN 51 13.911 -14.412 -47.141 296 HD21 ASN 51 1HD2 ASN 51 14.695 -13.703 -44.654 297 HD22 ASN 51 2HD2 ASN 51 16.417 -13.755 -44.529 298 H TYR 52 H TYR 52 10.941 -14.708 -45.832 299 HA TYR 52 HA TYR 52 9.489 -17.052 -46.424 300 HB2 TYR 52 2HB TYR 52 8.546 -14.878 -45.551 301 HB3 TYR 52 3HB TYR 52 8.706 -14.234 -47.181 302 HD1 TYR 52 HD1 TYR 52 6.971 -16.759 -45.116 303 HD2 TYR 52 HD2 TYR 52 7.131 -14.780 -48.880 304 HE1 TYR 52 HE1 TYR 52 4.769 -17.690 -45.693 305 HE2 TYR 52 HE2 TYR 52 4.929 -15.705 -49.466 306 HH TYR 52 HH TYR 52 3.578 -18.204 -48.158 307 H HIS 53 H HIS 53 8.341 -17.517 -48.442 308 HA HIS 53 HA HIS 53 10.144 -17.525 -50.661 309 HB2 HIS 53 2HB HIS 53 7.238 -18.358 -50.646 310 HB3 HIS 53 3HB HIS 53 8.482 -18.857 -51.788 311 HD1 HIS 53 HD1 HIS 53 9.732 -20.944 -51.237 312 HD2 HIS 53 HD2 HIS 53 7.673 -19.428 -47.962 313 HE1 HIS 53 HE1 HIS 53 9.971 -22.678 -49.432 314 H THR 54 H THR 54 10.297 -15.146 -50.813 315 HA THR 54 HA THR 54 7.998 -13.897 -52.144 316 HB THR 54 HB THR 54 9.363 -11.768 -51.848 317 HG1 THR 54 HG1 THR 54 10.994 -11.932 -50.206 318 HG21 THR 54 1HG2 THR 54 9.017 -12.479 -49.099 319 HG22 THR 54 2HG2 THR 54 7.715 -13.193 -50.051 320 HG23 THR 54 3HG2 THR 54 8.004 -11.454 -50.113 321 H THR 55 H THR 55 11.503 -13.391 -52.477 322 HA THR 55 HA THR 55 11.228 -13.855 -55.371 323 HB THR 55 HB THR 55 11.304 -11.472 -55.145 324 HG1 THR 55 HG1 THR 55 13.068 -11.105 -56.424 325 HG21 THR 55 1HG2 THR 55 13.002 -10.284 -53.917 326 HG22 THR 55 2HG2 THR 55 13.829 -11.791 -53.521 327 HG23 THR 55 3HG2 THR 55 12.241 -11.450 -52.836 328 H LYS 56 H LYS 56 13.406 -13.672 -52.589 329 HA LYS 56 HA LYS 56 15.466 -15.142 -54.043 330 HB2 LYS 56 2HB LYS 56 15.393 -13.803 -51.343 331 HB3 LYS 56 3HB LYS 56 16.729 -14.834 -51.839 332 HG2 LYS 56 2HG LYS 56 15.907 -12.612 -53.637 333 HG3 LYS 56 3HG LYS 56 16.811 -12.231 -52.169 334 HD2 LYS 56 2HD LYS 56 18.418 -14.099 -52.958 335 HD3 LYS 56 3HD LYS 56 17.645 -13.879 -54.530 336 HE2 LYS 56 2HE LYS 56 19.572 -12.498 -54.519 337 HE3 LYS 56 3HE LYS 56 18.184 -11.428 -54.326 338 HZ1 LYS 56 3HZ LYS 56 19.659 -12.439 -51.978 339 HZ2 LYS 56 1HZ LYS 56 18.668 -11.074 -52.099 340 HZ3 LYS 56 2HZ LYS 56 20.198 -11.075 -52.819 341 H ASP 57 H ASP 57 16.559 -16.958 -52.847 342 HA ASP 57 HA ASP 57 14.846 -19.089 -52.471 343 HB2 ASP 57 2HB ASP 57 17.567 -18.784 -51.184 344 HB3 ASP 57 3HB ASP 57 16.736 -20.295 -51.544 345 H CYS 58 H CYS 58 13.725 -19.940 -50.805 346 HA CYS 58 HA CYS 58 12.893 -18.400 -48.672 347 HB2 CYS 58 2HB CYS 58 11.635 -20.340 -49.353 348 HB3 CYS 58 3HB CYS 58 12.974 -21.409 -48.947 349 HG CYS 58 HG CYS 58 11.915 -19.573 -46.364 Start of MODEL 10 1 H SER 13 H SER 13 -0.488 -15.159 -28.685 2 HA SER 13 HA SER 13 -0.401 -17.027 -30.879 3 HB2 SER 13 2HB SER 13 -2.399 -15.566 -30.225 4 HB3 SER 13 3HB SER 13 -1.527 -14.230 -30.974 5 HG SER 13 HG SER 13 -3.067 -15.928 -32.183 6 H LEU 14 H LEU 14 1.543 -14.494 -29.803 7 HA LEU 14 HA LEU 14 2.497 -13.753 -32.452 8 HB2 LEU 14 2HB LEU 14 3.066 -12.787 -29.672 9 HB3 LEU 14 3HB LEU 14 4.100 -12.330 -31.025 10 HG LEU 14 HG LEU 14 2.534 -10.560 -30.579 11 HD11 LEU 14 1HD1 LEU 14 3.126 -11.065 -32.928 12 HD12 LEU 14 2HD1 LEU 14 1.540 -10.314 -32.757 13 HD13 LEU 14 3HD1 LEU 14 1.666 -12.047 -33.054 14 HD21 LEU 14 3HD2 LEU 14 0.826 -12.421 -29.695 15 HD22 LEU 14 1HD2 LEU 14 0.159 -12.164 -31.308 16 HD23 LEU 14 2HD2 LEU 14 0.316 -10.806 -30.193 17 H LYS 15 H LYS 15 4.469 -14.276 -33.288 18 HA LYS 15 HA LYS 15 5.860 -16.490 -31.991 19 HB2 LYS 15 2HB LYS 15 5.354 -15.690 -34.713 20 HB3 LYS 15 3HB LYS 15 7.081 -15.901 -34.460 21 HG2 LYS 15 2HG LYS 15 5.957 -17.940 -35.262 22 HG3 LYS 15 3HG LYS 15 6.748 -18.156 -33.699 23 HD2 LYS 15 2HD LYS 15 4.790 -18.463 -32.603 24 HD3 LYS 15 3HD LYS 15 3.919 -17.313 -33.619 25 HE2 LYS 15 2HE LYS 15 2.989 -19.069 -34.624 26 HE3 LYS 15 3HE LYS 15 4.569 -19.393 -35.336 27 HZ1 LYS 15 3HZ LYS 15 4.991 -21.063 -33.874 28 HZ2 LYS 15 1HZ LYS 15 3.305 -21.192 -33.928 29 HZ3 LYS 15 2HZ LYS 15 4.050 -20.395 -32.636 30 H ALA 16 H ALA 16 7.858 -16.359 -31.147 31 HA ALA 16 HA ALA 16 9.026 -13.773 -30.745 32 HB1 ALA 16 3HB ALA 16 9.069 -16.136 -29.360 33 HB2 ALA 16 1HB ALA 16 10.693 -16.063 -30.042 34 HB3 ALA 16 2HB ALA 16 10.098 -14.741 -29.037 35 H CYS 17 H CYS 17 10.254 -12.776 -32.189 36 HA CYS 17 HA CYS 17 11.245 -13.835 -34.539 37 HB2 CYS 17 2HB CYS 17 11.042 -11.385 -33.876 38 HB3 CYS 17 3HB CYS 17 12.581 -11.578 -33.045 39 HG CYS 17 HG CYS 17 12.313 -12.351 -36.351 40 H ILE 18 H ILE 18 13.412 -14.311 -35.231 41 HA ILE 18 HA ILE 18 14.812 -15.957 -33.317 42 HB ILE 18 HB ILE 18 16.213 -16.646 -35.164 43 HG12 ILE 18 2HG1 ILE 18 14.782 -14.519 -36.771 44 HG13 ILE 18 3HG1 ILE 18 16.462 -14.453 -36.249 45 HG21 ILE 18 1HG2 ILE 18 13.412 -16.934 -35.058 46 HG22 ILE 18 2HG2 ILE 18 13.845 -16.754 -36.758 47 HG23 ILE 18 3HG2 ILE 18 14.590 -18.025 -35.789 48 HD11 ILE 18 3HD1 ILE 18 16.061 -16.887 -37.651 49 HD12 ILE 18 1HD1 ILE 18 15.393 -15.568 -38.611 50 HD13 ILE 18 2HD1 ILE 18 17.075 -15.512 -38.085 51 H ARG 19 H ARG 19 14.845 -12.747 -33.845 52 HA ARG 19 HA ARG 19 17.741 -12.409 -33.604 53 HB2 ARG 19 2HB ARG 19 15.561 -10.334 -33.903 54 HB3 ARG 19 3HB ARG 19 17.291 -10.019 -33.924 55 HG2 ARG 19 2HG ARG 19 17.147 -11.840 -35.886 56 HG3 ARG 19 3HG ARG 19 15.538 -11.127 -36.018 57 HD2 ARG 19 2HD ARG 19 16.590 -9.624 -37.324 58 HD3 ARG 19 3HD ARG 19 17.040 -8.898 -35.781 59 HE ARG 19 HE ARG 19 18.939 -10.851 -36.539 60 HH11 ARG 19 1HH1 ARG 19 17.868 -7.631 -37.314 61 HH12 ARG 19 2HH1 ARG 19 19.413 -7.117 -37.905 62 HH21 ARG 19 1HH2 ARG 19 20.980 -10.188 -37.314 63 HH22 ARG 19 2HH2 ARG 19 21.183 -8.573 -37.905 64 H CYS 20 H CYS 20 14.960 -10.794 -32.064 65 HA CYS 20 HA CYS 20 16.322 -11.118 -29.473 66 HB2 CYS 20 2HB CYS 20 15.283 -8.874 -28.870 67 HB3 CYS 20 3HB CYS 20 16.623 -8.830 -30.008 68 HG CYS 20 HG CYS 20 15.366 -7.420 -31.731 69 H ASN 21 H ASN 21 14.075 -12.547 -30.913 70 HA ASN 21 HA ASN 21 12.030 -13.444 -30.460 71 HB2 ASN 21 2HB ASN 21 13.045 -12.893 -27.668 72 HB3 ASN 21 3HB ASN 21 11.572 -13.801 -27.995 73 HD21 ASN 21 1HD2 ASN 21 11.784 -15.909 -28.093 74 HD22 ASN 21 2HD2 ASN 21 13.235 -16.772 -28.459 75 H SER 22 H SER 22 11.292 -11.320 -31.485 76 HA SER 22 HA SER 22 9.811 -9.655 -29.573 77 HB2 SER 22 2HB SER 22 11.231 -9.097 -32.007 78 HB3 SER 22 3HB SER 22 9.544 -8.621 -32.196 79 HG SER 22 HG SER 22 11.001 -7.913 -29.889 80 HA PRO 23 HA PRO 23 5.870 -11.179 -30.749 81 HB2 PRO 23 2HB PRO 23 4.364 -8.922 -30.825 82 HB3 PRO 23 3HB PRO 23 4.950 -9.636 -29.318 83 HG2 PRO 23 2HG PRO 23 6.057 -7.333 -30.878 84 HG3 PRO 23 3HG PRO 23 5.841 -7.496 -29.125 85 HD2 PRO 23 2HD PRO 23 8.234 -7.856 -30.339 86 HD3 PRO 23 3HD PRO 23 7.760 -8.749 -28.880 87 H ALA 24 H ALA 24 6.129 -11.971 -32.832 88 HA ALA 24 HA ALA 24 5.739 -10.092 -35.054 89 HB1 ALA 24 3HB ALA 24 7.283 -11.281 -36.109 90 HB2 ALA 24 1HB ALA 24 7.427 -12.338 -34.703 91 HB3 ALA 24 2HB ALA 24 6.278 -12.724 -35.985 92 H LYS 25 H LYS 25 3.916 -10.079 -36.215 93 HA LYS 25 HA LYS 25 1.610 -11.423 -35.368 94 HB2 LYS 25 2HB LYS 25 2.317 -9.511 -37.390 95 HB3 LYS 25 3HB LYS 25 1.262 -10.732 -38.089 96 HG2 LYS 25 2HG LYS 25 0.520 -9.494 -35.483 97 HG3 LYS 25 3HG LYS 25 0.271 -8.589 -36.978 98 HD2 LYS 25 2HD LYS 25 -1.608 -9.722 -37.333 99 HD3 LYS 25 3HD LYS 25 -0.677 -11.220 -37.412 100 HE2 LYS 25 2HE LYS 25 -0.798 -10.828 -34.734 101 HE3 LYS 25 3HE LYS 25 -2.333 -10.127 -35.240 102 HZ1 LYS 25 3HZ LYS 25 -2.419 -12.538 -34.698 103 HZ2 LYS 25 1HZ LYS 25 -1.430 -12.837 -36.038 104 HZ3 LYS 25 2HZ LYS 25 -2.966 -12.162 -36.254 105 H TYR 26 H TYR 26 1.623 -13.606 -35.328 106 HA TYR 26 HA TYR 26 2.749 -15.178 -37.450 107 HB2 TYR 26 2HB TYR 26 2.879 -16.114 -35.265 108 HB3 TYR 26 3HB TYR 26 1.159 -15.875 -34.982 109 HD1 TYR 26 HD1 TYR 26 3.047 -17.438 -37.805 110 HD2 TYR 26 HD2 TYR 26 0.149 -17.936 -34.730 111 HE1 TYR 26 HE1 TYR 26 2.605 -19.723 -38.601 112 HE2 TYR 26 HE2 TYR 26 -0.300 -20.224 -35.515 113 HH TYR 26 HH TYR 26 1.028 -22.011 -36.832 114 H ASP 27 H ASP 27 1.738 -16.183 -39.105 115 HA ASP 27 HA ASP 27 -1.189 -15.948 -39.279 116 HB2 ASP 27 2HB ASP 27 0.801 -14.749 -41.002 117 HB3 ASP 27 3HB ASP 27 -0.230 -15.850 -41.911 118 H CYS 28 H CYS 28 -1.723 -18.039 -38.922 119 HA CYS 28 HA CYS 28 -0.282 -20.289 -39.733 120 HB2 CYS 28 2HB CYS 28 -2.291 -21.566 -39.243 121 HB3 CYS 28 3HB CYS 28 -2.072 -20.317 -38.023 122 HG CYS 28 HG CYS 28 -3.955 -18.588 -39.395 123 H TYR 29 H TYR 29 -2.301 -18.173 -41.526 124 HA TYR 29 HA TYR 29 -3.324 -19.763 -43.531 125 HB2 TYR 29 2HB TYR 29 -2.980 -17.000 -43.089 126 HB3 TYR 29 3HB TYR 29 -2.294 -17.328 -44.677 127 HD1 TYR 29 HD1 TYR 29 -5.367 -17.661 -42.633 128 HD2 TYR 29 HD2 TYR 29 -3.687 -17.740 -46.541 129 HE1 TYR 29 HE1 TYR 29 -7.628 -17.679 -43.598 130 HE2 TYR 29 HE2 TYR 29 -5.944 -17.756 -47.517 131 HH TYR 29 HH TYR 29 -8.177 -18.223 -46.984 132 H LEU 30 H LEU 30 -0.166 -18.107 -43.541 133 HA LEU 30 HA LEU 30 0.763 -20.106 -45.496 134 HB2 LEU 30 2HB LEU 30 1.688 -17.248 -45.275 135 HB3 LEU 30 3HB LEU 30 2.200 -18.431 -46.476 136 HG LEU 30 HG LEU 30 -0.503 -17.118 -46.237 137 HD11 LEU 30 1HD1 LEU 30 1.627 -16.040 -47.345 138 HD12 LEU 30 2HD1 LEU 30 0.039 -15.910 -48.098 139 HD13 LEU 30 3HD1 LEU 30 1.193 -17.109 -48.680 140 HD21 LEU 30 3HD2 LEU 30 -0.392 -18.571 -48.606 141 HD22 LEU 30 1HD2 LEU 30 -1.363 -18.937 -47.180 142 HD23 LEU 30 2HD2 LEU 30 0.229 -19.671 -47.374 143 H GLN 31 H GLN 31 0.903 -19.741 -42.441 144 HA GLN 31 HA GLN 31 2.399 -20.058 -40.750 145 HB2 GLN 31 2HB GLN 31 3.761 -21.550 -42.994 146 HB3 GLN 31 3HB GLN 31 4.285 -21.628 -41.317 147 HG2 GLN 31 2HG GLN 31 2.981 -23.510 -41.505 148 HG3 GLN 31 3HG GLN 31 1.841 -22.338 -40.846 149 HE21 GLN 31 1HE2 GLN 31 0.118 -23.569 -41.669 150 HE22 GLN 31 2HE2 GLN 31 -0.292 -23.534 -43.347 151 H ARG 32 H ARG 32 2.658 -17.558 -41.688 152 HA ARG 32 HA ARG 32 5.574 -17.132 -41.751 153 HB2 ARG 32 2HB ARG 32 5.315 -15.274 -43.183 154 HB3 ARG 32 3HB ARG 32 4.294 -16.531 -43.868 155 HG2 ARG 32 2HG ARG 32 2.429 -15.387 -42.443 156 HG3 ARG 32 3HG ARG 32 3.526 -14.005 -42.494 157 HD2 ARG 32 2HD ARG 32 2.584 -15.500 -44.934 158 HD3 ARG 32 3HD ARG 32 1.807 -14.047 -44.311 159 HE ARG 32 HE ARG 32 4.297 -14.208 -45.755 160 HH11 ARG 32 1HH1 ARG 32 2.324 -12.313 -43.602 161 HH12 ARG 32 2HH1 ARG 32 3.075 -10.810 -44.025 162 HH21 ARG 32 1HH2 ARG 32 5.295 -12.236 -46.320 163 HH22 ARG 32 2HH2 ARG 32 4.765 -10.767 -45.572 164 H ALA 33 H ALA 33 6.299 -15.101 -40.780 165 HA ALA 33 HA ALA 33 4.456 -14.001 -38.777 166 HB1 ALA 33 3HB ALA 33 6.829 -15.598 -38.262 167 HB2 ALA 33 1HB ALA 33 6.869 -14.032 -37.450 168 HB3 ALA 33 2HB ALA 33 5.518 -15.133 -37.176 169 H THR 34 H THR 34 4.645 -11.846 -38.433 170 HA THR 34 HA THR 34 6.813 -10.452 -39.865 171 HB THR 34 HB THR 34 4.645 -8.669 -39.406 172 HG1 THR 34 HG1 THR 34 3.903 -11.145 -40.609 173 HG21 THR 34 1HG2 THR 34 4.806 -8.275 -41.714 174 HG22 THR 34 2HG2 THR 34 5.354 -9.919 -42.045 175 HG23 THR 34 3HG2 THR 34 6.431 -8.774 -41.245 176 H CYS 35 H CYS 35 8.252 -9.811 -38.387 177 HA CYS 35 HA CYS 35 7.825 -9.407 -35.680 178 HB2 CYS 35 2HB CYS 35 10.054 -9.639 -36.730 179 HB3 CYS 35 3HB CYS 35 9.882 -8.028 -37.417 180 HG CYS 35 HG CYS 35 10.168 -6.638 -35.138 181 H LYS 36 H LYS 36 7.208 -7.723 -34.421 182 HA LYS 36 HA LYS 36 5.854 -5.527 -35.744 183 HB2 LYS 36 2HB LYS 36 5.989 -6.519 -32.912 184 HB3 LYS 36 3HB LYS 36 5.318 -4.934 -33.275 185 HG2 LYS 36 2HG LYS 36 4.337 -7.507 -34.489 186 HG3 LYS 36 3HG LYS 36 3.624 -6.732 -33.073 187 HD2 LYS 36 2HD LYS 36 2.588 -5.162 -34.306 188 HD3 LYS 36 3HD LYS 36 3.973 -4.956 -35.381 189 HE2 LYS 36 2HE LYS 36 2.721 -5.986 -36.919 190 HE3 LYS 36 3HE LYS 36 3.076 -7.466 -36.030 191 HZ1 LYS 36 3HZ LYS 36 0.829 -5.864 -35.089 192 HZ2 LYS 36 1HZ LYS 36 1.009 -7.545 -35.150 193 HZ3 LYS 36 2HZ LYS 36 0.618 -6.684 -36.553 194 H ARG 37 H ARG 37 8.744 -6.093 -33.878 195 HA ARG 37 HA ARG 37 9.374 -3.544 -33.012 196 HB2 ARG 37 2HB ARG 37 10.624 -5.732 -32.592 197 HB3 ARG 37 3HB ARG 37 11.421 -5.450 -34.134 198 HG2 ARG 37 2HG ARG 37 12.653 -3.701 -33.339 199 HG3 ARG 37 3HG ARG 37 11.454 -3.269 -32.119 200 HD2 ARG 37 2HD ARG 37 12.130 -5.648 -31.160 201 HD3 ARG 37 3HD ARG 37 13.624 -5.294 -32.026 202 HE ARG 37 HE ARG 37 14.136 -3.757 -30.417 203 HH11 ARG 37 1HH1 ARG 37 10.729 -4.455 -30.261 204 HH12 ARG 37 2HH1 ARG 37 10.472 -3.528 -28.819 205 HH21 ARG 37 1HH2 ARG 37 13.812 -2.535 -28.519 206 HH22 ARG 37 2HH2 ARG 37 12.227 -2.436 -27.829 207 H GLU 38 H GLU 38 9.599 -1.697 -34.070 208 HA GLU 38 HA GLU 38 9.533 -1.378 -36.816 209 HB2 GLU 38 2HB GLU 38 9.288 0.345 -34.853 210 HB3 GLU 38 3HB GLU 38 11.005 0.605 -35.125 211 HG2 GLU 38 2HG GLU 38 9.687 2.234 -36.334 212 HG3 GLU 38 3HG GLU 38 10.557 1.184 -37.451 213 H GLY 39 H GLY 39 12.230 -2.069 -34.737 214 HA2 GLY 39 2HA GLY 39 14.310 -1.274 -36.491 215 HA3 GLY 39 3HA GLY 39 14.464 -2.408 -35.157 216 H CYS 40 H CYS 40 12.390 -4.187 -36.249 217 HA CYS 40 HA CYS 40 14.048 -5.452 -38.318 218 HB2 CYS 40 2HB CYS 40 12.504 -6.459 -36.045 219 HB3 CYS 40 3HB CYS 40 12.195 -7.342 -37.535 220 HG CYS 40 HG CYS 40 14.922 -7.939 -37.963 221 H GLY 41 H GLY 41 10.610 -5.881 -37.555 222 HA2 GLY 41 2HA GLY 41 8.783 -5.985 -38.951 223 HA3 GLY 41 3HA GLY 41 9.423 -4.478 -39.591 224 H PHE 42 H PHE 42 10.101 -7.973 -39.816 225 HA PHE 42 HA PHE 42 10.182 -7.673 -42.737 226 HB2 PHE 42 2HB PHE 42 12.139 -9.092 -42.896 227 HB3 PHE 42 3HB PHE 42 12.502 -7.729 -41.843 228 HD1 PHE 42 HD2 PHE 42 12.015 -8.202 -39.275 229 HD2 PHE 42 HD1 PHE 42 12.796 -11.178 -42.217 230 HE1 PHE 42 HE2 PHE 42 12.728 -9.757 -37.507 231 HE2 PHE 42 HE1 PHE 42 13.510 -12.738 -40.453 232 HZ PHE 42 HZ PHE 42 13.477 -12.028 -38.095 233 H ASP 43 H ASP 43 9.650 -9.557 -43.926 234 HA ASP 43 HA ASP 43 7.863 -11.338 -42.471 235 HB2 ASP 43 2HB ASP 43 6.925 -11.911 -44.576 236 HB3 ASP 43 3HB ASP 43 7.218 -10.175 -44.635 237 H TYR 44 H TYR 44 8.134 -13.509 -42.253 238 HA TYR 44 HA TYR 44 10.183 -14.936 -43.686 239 HB2 TYR 44 2HB TYR 44 11.360 -15.661 -41.584 240 HB3 TYR 44 3HB TYR 44 11.618 -13.977 -42.026 241 HD1 TYR 44 HD1 TYR 44 10.385 -12.184 -40.782 242 HD2 TYR 44 HD2 TYR 44 10.367 -16.245 -39.514 243 HE1 TYR 44 HE1 TYR 44 9.636 -11.477 -38.548 244 HE2 TYR 44 HE2 TYR 44 9.617 -15.550 -37.279 245 HH TYR 44 HH TYR 44 9.380 -13.762 -35.889 246 H CYS 45 H CYS 45 10.205 -17.243 -43.143 247 HA CYS 45 HA CYS 45 7.524 -18.176 -42.624 248 HB2 CYS 45 2HB CYS 45 9.651 -19.085 -44.167 249 HB3 CYS 45 3HB CYS 45 9.553 -20.252 -42.855 250 HG CYS 45 HG CYS 45 7.539 -19.825 -45.471 251 H THR 46 H THR 46 6.774 -18.750 -40.704 252 HA THR 46 HA THR 46 8.439 -18.816 -38.390 253 HB THR 46 HB THR 46 6.157 -18.038 -38.180 254 HG1 THR 46 HG1 THR 46 6.160 -20.519 -36.825 255 HG21 THR 46 1HG2 THR 46 4.646 -20.427 -38.255 256 HG22 THR 46 2HG2 THR 46 5.570 -20.349 -39.756 257 HG23 THR 46 3HG2 THR 46 4.504 -19.018 -39.306 258 H LYS 47 H LYS 47 7.810 -21.093 -40.755 259 HA LYS 47 HA LYS 47 7.726 -23.457 -39.160 260 HB2 LYS 47 2HB LYS 47 8.479 -23.112 -42.068 261 HB3 LYS 47 3HB LYS 47 8.118 -24.642 -41.280 262 HG2 LYS 47 2HG LYS 47 6.108 -22.430 -41.289 263 HG3 LYS 47 3HG LYS 47 6.294 -23.489 -42.688 264 HD2 LYS 47 2HD LYS 47 4.716 -24.677 -41.556 265 HD3 LYS 47 3HD LYS 47 6.159 -25.358 -40.802 266 HE2 LYS 47 2HE LYS 47 5.830 -24.223 -38.834 267 HE3 LYS 47 3HE LYS 47 4.941 -22.914 -39.613 268 HZ1 LYS 47 3HZ LYS 47 3.222 -24.814 -40.038 269 HZ2 LYS 47 1HZ LYS 47 3.261 -24.007 -38.552 270 HZ3 LYS 47 2HZ LYS 47 3.979 -25.530 -38.705 271 H CYS 48 H CYS 48 10.256 -22.482 -41.472 272 HA CYS 48 HA CYS 48 12.228 -23.890 -39.851 273 HB2 CYS 48 2HB CYS 48 13.735 -23.529 -41.778 274 HB3 CYS 48 3HB CYS 48 12.244 -24.341 -42.240 275 HG CYS 48 HG CYS 48 11.876 -21.086 -42.575 276 H LEU 49 H LEU 49 10.959 -20.880 -39.881 277 HA LEU 49 HA LEU 49 11.601 -18.847 -39.089 278 HB2 LEU 49 2HB LEU 49 13.585 -20.677 -37.789 279 HB3 LEU 49 3HB LEU 49 13.667 -18.933 -37.542 280 HG LEU 49 HG LEU 49 11.313 -20.687 -36.840 281 HD11 LEU 49 1HD1 LEU 49 12.088 -20.866 -34.730 282 HD12 LEU 49 2HD1 LEU 49 12.865 -19.284 -34.762 283 HD13 LEU 49 3HD1 LEU 49 13.651 -20.668 -35.522 284 HD21 LEU 49 3HD2 LEU 49 11.531 -17.881 -37.232 285 HD22 LEU 49 1HD2 LEU 49 11.316 -18.187 -35.508 286 HD23 LEU 49 2HD2 LEU 49 10.143 -18.812 -36.667 287 H CYS 50 H CYS 50 12.305 -19.189 -41.666 288 HA CYS 50 HA CYS 50 14.853 -17.745 -41.811 289 HB2 CYS 50 2HB CYS 50 14.055 -19.980 -43.687 290 HB3 CYS 50 3HB CYS 50 15.518 -19.008 -43.797 291 HG CYS 50 HG CYS 50 16.923 -20.236 -41.961 292 H ASN 51 H ASN 51 15.055 -17.150 -44.388 293 HA ASN 51 HA ASN 51 13.298 -15.067 -44.815 294 HB2 ASN 51 2HB ASN 51 14.976 -16.655 -46.755 295 HB3 ASN 51 3HB ASN 51 14.052 -15.238 -47.247 296 HD21 ASN 51 1HD2 ASN 51 16.650 -16.388 -45.201 297 HD22 ASN 51 2HD2 ASN 51 17.439 -14.860 -45.021 298 H TYR 52 H TYR 52 11.429 -14.766 -45.981 299 HA TYR 52 HA TYR 52 9.779 -17.114 -46.322 300 HB2 TYR 52 2HB TYR 52 8.932 -14.982 -45.314 301 HB3 TYR 52 3HB TYR 52 9.086 -14.228 -46.898 302 HD1 TYR 52 HD2 TYR 52 7.280 -16.812 -44.975 303 HD2 TYR 52 HD1 TYR 52 7.452 -14.580 -48.592 304 HE1 TYR 52 HE2 TYR 52 5.025 -17.601 -45.562 305 HE2 TYR 52 HE1 TYR 52 5.197 -15.361 -49.189 306 HH TYR 52 HH TYR 52 3.761 -17.874 -48.053 307 H HIS 53 H HIS 53 8.531 -17.496 -48.283 308 HA HIS 53 HA HIS 53 10.212 -17.403 -50.609 309 HB2 HIS 53 2HB HIS 53 7.342 -18.335 -50.441 310 HB3 HIS 53 3HB HIS 53 8.529 -18.758 -51.671 311 HD1 HIS 53 HD1 HIS 53 9.691 -20.913 -51.314 312 HD2 HIS 53 HD2 HIS 53 8.157 -19.375 -47.773 313 HE1 HIS 53 HE1 HIS 53 10.141 -22.667 -49.569 314 H THR 54 H THR 54 10.033 -14.880 -50.257 315 HA THR 54 HA THR 54 7.705 -13.604 -51.304 316 HB THR 54 HB THR 54 9.408 -11.628 -51.541 317 HG1 THR 54 HG1 THR 54 11.290 -11.903 -50.429 318 HG21 THR 54 1HG2 THR 54 9.356 -12.001 -48.731 319 HG22 THR 54 2HG2 THR 54 7.867 -12.683 -49.387 320 HG23 THR 54 3HG2 THR 54 8.291 -11.003 -49.720 321 H THR 55 H THR 55 10.999 -13.339 -52.612 322 HA THR 55 HA THR 55 9.900 -13.816 -55.302 323 HB THR 55 HB THR 55 10.183 -11.445 -55.186 324 HG1 THR 55 HG1 THR 55 12.120 -11.263 -56.663 325 HG21 THR 55 1HG2 THR 55 12.204 -10.351 -54.483 326 HG22 THR 55 2HG2 THR 55 13.030 -11.897 -54.292 327 HG23 THR 55 3HG2 THR 55 11.708 -11.464 -53.209 328 H LYS 56 H LYS 56 12.795 -13.723 -53.265 329 HA LYS 56 HA LYS 56 14.279 -15.329 -55.185 330 HB2 LYS 56 2HB LYS 56 15.106 -13.358 -53.565 331 HB3 LYS 56 3HB LYS 56 15.401 -14.727 -52.501 332 HG2 LYS 56 2HG LYS 56 16.386 -15.188 -55.191 333 HG3 LYS 56 3HG LYS 56 17.104 -13.761 -54.438 334 HD2 LYS 56 2HD LYS 56 16.914 -16.352 -52.944 335 HD3 LYS 56 3HD LYS 56 18.228 -16.065 -54.086 336 HE2 LYS 56 2HE LYS 56 18.893 -14.080 -52.854 337 HE3 LYS 56 3HE LYS 56 17.537 -14.289 -51.746 338 HZ1 LYS 56 3HZ LYS 56 18.735 -15.678 -50.530 339 HZ2 LYS 56 1HZ LYS 56 20.079 -15.348 -51.503 340 HZ3 LYS 56 2HZ LYS 56 19.075 -16.659 -51.866 341 H ASP 57 H ASP 57 15.377 -17.301 -54.505 342 HA ASP 57 HA ASP 57 13.682 -19.244 -53.525 343 HB2 ASP 57 2HB ASP 57 16.707 -19.226 -53.456 344 HB3 ASP 57 3HB ASP 57 15.697 -20.655 -53.257 345 H CYS 58 H CYS 58 13.038 -19.894 -51.569 346 HA CYS 58 HA CYS 58 13.369 -18.394 -49.279 347 HB2 CYS 58 2HB CYS 58 11.570 -19.974 -49.423 348 HB3 CYS 58 3HB CYS 58 12.690 -21.320 -49.596 349 HG CYS 58 HG CYS 58 13.496 -21.429 -47.022 Start of MODEL 11 1 H SER 13 H SER 13 0.516 -15.821 -28.713 2 HA SER 13 HA SER 13 -0.237 -17.579 -30.958 3 HB2 SER 13 2HB SER 13 -2.124 -16.294 -29.875 4 HB3 SER 13 3HB SER 13 -1.341 -14.814 -30.428 5 HG SER 13 HG SER 13 -2.848 -15.423 -31.957 6 H LEU 14 H LEU 14 1.845 -15.145 -29.874 7 HA LEU 14 HA LEU 14 2.422 -14.138 -32.551 8 HB2 LEU 14 2HB LEU 14 3.182 -13.334 -29.782 9 HB3 LEU 14 3HB LEU 14 4.193 -12.826 -31.133 10 HG LEU 14 HG LEU 14 2.565 -11.108 -30.423 11 HD11 LEU 14 1HD1 LEU 14 3.379 -11.031 -32.675 12 HD12 LEU 14 2HD1 LEU 14 1.657 -10.656 -32.691 13 HD13 LEU 14 3HD1 LEU 14 2.215 -12.254 -33.188 14 HD21 LEU 14 3HD2 LEU 14 0.385 -12.780 -31.603 15 HD22 LEU 14 1HD2 LEU 14 0.272 -11.386 -30.528 16 HD23 LEU 14 2HD2 LEU 14 0.808 -12.943 -29.898 17 H LYS 15 H LYS 15 4.507 -14.246 -33.485 18 HA LYS 15 HA LYS 15 5.950 -16.674 -32.768 19 HB2 LYS 15 2HB LYS 15 5.314 -15.405 -35.199 20 HB3 LYS 15 3HB LYS 15 7.060 -15.271 -35.031 21 HG2 LYS 15 2HG LYS 15 6.427 -17.272 -36.266 22 HG3 LYS 15 3HG LYS 15 7.238 -17.678 -34.751 23 HD2 LYS 15 2HD LYS 15 4.358 -17.468 -34.435 24 HD3 LYS 15 3HD LYS 15 4.812 -18.677 -35.639 25 HE2 LYS 15 2HE LYS 15 6.556 -19.352 -33.766 26 HE3 LYS 15 3HE LYS 15 5.359 -18.594 -32.717 27 HZ1 LYS 15 3HZ LYS 15 4.104 -20.327 -34.577 28 HZ2 LYS 15 1HZ LYS 15 4.066 -20.369 -32.886 29 HZ3 LYS 15 2HZ LYS 15 5.304 -21.160 -33.724 30 H ALA 16 H ALA 16 7.964 -16.729 -31.943 31 HA ALA 16 HA ALA 16 9.095 -14.259 -30.964 32 HB1 ALA 16 3HB ALA 16 10.832 -15.836 -29.991 33 HB2 ALA 16 1HB ALA 16 9.174 -16.040 -29.428 34 HB3 ALA 16 2HB ALA 16 9.842 -17.151 -30.625 35 H CYS 17 H CYS 17 10.261 -13.038 -32.298 36 HA CYS 17 HA CYS 17 11.409 -13.775 -34.697 37 HB2 CYS 17 2HB CYS 17 11.051 -11.428 -33.740 38 HB3 CYS 17 3HB CYS 17 12.590 -11.647 -32.917 39 HG CYS 17 HG CYS 17 13.000 -12.403 -36.076 40 H ILE 18 H ILE 18 13.585 -14.146 -35.346 41 HA ILE 18 HA ILE 18 15.007 -15.876 -33.526 42 HB ILE 18 HB ILE 18 16.508 -16.322 -35.395 43 HG12 ILE 18 2HG1 ILE 18 14.904 -14.216 -36.862 44 HG13 ILE 18 3HG1 ILE 18 16.579 -14.057 -36.344 45 HG21 ILE 18 1HG2 ILE 18 14.286 -17.454 -35.205 46 HG22 ILE 18 2HG2 ILE 18 13.663 -16.298 -36.381 47 HG23 ILE 18 3HG2 ILE 18 14.951 -17.412 -36.838 48 HD11 ILE 18 3HD1 ILE 18 16.320 -16.421 -37.908 49 HD12 ILE 18 1HD1 ILE 18 15.588 -15.070 -38.774 50 HD13 ILE 18 2HD1 ILE 18 17.264 -14.968 -38.233 51 H ARG 19 H ARG 19 14.922 -12.633 -33.817 52 HA ARG 19 HA ARG 19 17.793 -12.204 -33.466 53 HB2 ARG 19 2HB ARG 19 15.549 -10.185 -33.656 54 HB3 ARG 19 3HB ARG 19 17.269 -9.822 -33.640 55 HG2 ARG 19 2HG ARG 19 17.211 -11.486 -35.727 56 HG3 ARG 19 3HG ARG 19 15.566 -10.855 -35.818 57 HD2 ARG 19 2HD ARG 19 16.549 -9.219 -37.019 58 HD3 ARG 19 3HD ARG 19 16.926 -8.567 -35.426 59 HE ARG 19 HE ARG 19 18.988 -10.297 -36.135 60 HH11 ARG 19 1HH1 ARG 19 17.612 -7.287 -37.217 61 HH12 ARG 19 2HH1 ARG 19 19.104 -6.685 -37.859 62 HH21 ARG 19 1HH2 ARG 19 20.958 -9.516 -36.977 63 HH22 ARG 19 2HH2 ARG 19 21.008 -7.955 -37.723 64 H CYS 20 H CYS 20 14.936 -10.764 -31.899 65 HA CYS 20 HA CYS 20 16.237 -11.238 -29.299 66 HB2 CYS 20 2HB CYS 20 15.103 -9.094 -28.558 67 HB3 CYS 20 3HB CYS 20 16.439 -8.903 -29.687 68 HG CYS 20 HG CYS 20 13.311 -7.919 -29.974 69 H ASN 21 H ASN 21 14.064 -12.622 -30.926 70 HA ASN 21 HA ASN 21 12.047 -13.629 -30.593 71 HB2 ASN 21 2HB ASN 21 12.486 -13.281 -27.639 72 HB3 ASN 21 3HB ASN 21 11.748 -14.633 -28.493 73 HD21 ASN 21 1HD2 ASN 21 14.663 -13.211 -27.372 74 HD22 ASN 21 2HD2 ASN 21 15.726 -14.493 -27.834 75 H SER 22 H SER 22 11.382 -11.308 -31.371 76 HA SER 22 HA SER 22 9.814 -9.897 -29.354 77 HB2 SER 22 2HB SER 22 10.564 -8.150 -30.555 78 HB3 SER 22 3HB SER 22 11.069 -9.192 -31.885 79 HG SER 22 HG SER 22 8.987 -9.113 -32.702 80 HA PRO 23 HA PRO 23 5.892 -11.469 -30.526 81 HB2 PRO 23 2HB PRO 23 4.316 -9.262 -30.409 82 HB3 PRO 23 3HB PRO 23 4.965 -10.056 -28.970 83 HG2 PRO 23 2HG PRO 23 5.957 -7.620 -30.398 84 HG3 PRO 23 3HG PRO 23 5.796 -7.906 -28.656 85 HD2 PRO 23 2HD PRO 23 8.165 -8.107 -29.953 86 HD3 PRO 23 3HD PRO 23 7.758 -9.110 -28.545 87 H ALA 24 H ALA 24 6.397 -12.028 -32.709 88 HA ALA 24 HA ALA 24 5.780 -10.044 -34.766 89 HB1 ALA 24 3HB ALA 24 6.893 -12.836 -35.012 90 HB2 ALA 24 1HB ALA 24 6.660 -11.704 -36.344 91 HB3 ALA 24 2HB ALA 24 7.816 -11.334 -35.063 92 H LYS 25 H LYS 25 3.935 -10.027 -35.888 93 HA LYS 25 HA LYS 25 1.701 -11.511 -35.122 94 HB2 LYS 25 2HB LYS 25 1.604 -9.344 -36.311 95 HB3 LYS 25 3HB LYS 25 2.182 -10.136 -37.771 96 HG2 LYS 25 2HG LYS 25 -0.180 -9.868 -37.946 97 HG3 LYS 25 3HG LYS 25 0.162 -11.584 -37.713 98 HD2 LYS 25 2HD LYS 25 -0.196 -10.232 -35.184 99 HD3 LYS 25 3HD LYS 25 -1.596 -10.004 -36.234 100 HE2 LYS 25 2HE LYS 25 -1.821 -12.389 -36.518 101 HE3 LYS 25 3HE LYS 25 -0.338 -12.673 -35.608 102 HZ1 LYS 25 3HZ LYS 25 -2.264 -13.058 -34.229 103 HZ2 LYS 25 1HZ LYS 25 -2.848 -11.500 -34.536 104 HZ3 LYS 25 2HZ LYS 25 -1.420 -11.709 -33.656 105 H TYR 26 H TYR 26 1.690 -13.678 -35.216 106 HA TYR 26 HA TYR 26 2.876 -15.097 -37.436 107 HB2 TYR 26 2HB TYR 26 3.157 -16.136 -35.319 108 HB3 TYR 26 3HB TYR 26 1.447 -15.983 -34.934 109 HD1 TYR 26 HD1 TYR 26 3.135 -17.288 -37.994 110 HD2 TYR 26 HD2 TYR 26 0.635 -18.139 -34.659 111 HE1 TYR 26 HE1 TYR 26 2.741 -19.551 -38.875 112 HE2 TYR 26 HE2 TYR 26 0.236 -20.405 -35.529 113 HH TYR 26 HH TYR 26 1.372 -22.023 -37.042 114 H ASP 27 H ASP 27 1.861 -15.808 -39.195 115 HA ASP 27 HA ASP 27 -1.087 -15.771 -39.210 116 HB2 ASP 27 2HB ASP 27 0.815 -14.465 -40.951 117 HB3 ASP 27 3HB ASP 27 -0.207 -15.569 -41.869 118 H CYS 28 H CYS 28 -1.492 -17.905 -38.842 119 HA CYS 28 HA CYS 28 -0.048 -20.078 -39.816 120 HB2 CYS 28 2HB CYS 28 -1.943 -21.439 -39.212 121 HB3 CYS 28 3HB CYS 28 -1.769 -20.167 -38.009 122 HG CYS 28 HG CYS 28 -4.476 -20.500 -38.369 123 H TYR 29 H TYR 29 -2.288 -18.001 -41.403 124 HA TYR 29 HA TYR 29 -3.337 -19.574 -43.407 125 HB2 TYR 29 2HB TYR 29 -3.139 -16.819 -42.874 126 HB3 TYR 29 3HB TYR 29 -2.516 -17.037 -44.506 127 HD1 TYR 29 HD1 TYR 29 -5.459 -17.544 -42.332 128 HD2 TYR 29 HD2 TYR 29 -3.968 -17.565 -46.316 129 HE1 TYR 29 HE1 TYR 29 -7.762 -17.667 -43.186 130 HE2 TYR 29 HE2 TYR 29 -6.267 -17.687 -47.182 131 HH TYR 29 HH TYR 29 -8.692 -16.901 -46.081 132 H LEU 30 H LEU 30 -0.239 -17.822 -43.448 133 HA LEU 30 HA LEU 30 0.637 -19.616 -45.615 134 HB2 LEU 30 2HB LEU 30 1.534 -16.775 -45.163 135 HB3 LEU 30 3HB LEU 30 2.006 -17.832 -46.493 136 HG LEU 30 HG LEU 30 -0.695 -16.585 -46.013 137 HD11 LEU 30 1HD1 LEU 30 -0.044 -15.891 -48.488 138 HD12 LEU 30 2HD1 LEU 30 1.585 -16.086 -47.842 139 HD13 LEU 30 3HD1 LEU 30 0.466 -14.953 -47.084 140 HD21 LEU 30 3HD2 LEU 30 -0.739 -17.795 -48.493 141 HD22 LEU 30 1HD2 LEU 30 -1.559 -18.365 -47.040 142 HD23 LEU 30 2HD2 LEU 30 0.034 -18.997 -47.459 143 H GLN 31 H GLN 31 0.903 -19.492 -42.534 144 HA GLN 31 HA GLN 31 2.475 -19.932 -40.943 145 HB2 GLN 31 2HB GLN 31 3.693 -21.252 -43.365 146 HB3 GLN 31 3HB GLN 31 4.364 -21.421 -41.749 147 HG2 GLN 31 2HG GLN 31 1.630 -22.284 -42.662 148 HG3 GLN 31 3HG GLN 31 2.995 -23.327 -42.270 149 HE21 GLN 31 1HE2 GLN 31 3.914 -22.136 -39.969 150 HE22 GLN 31 2HE2 GLN 31 2.729 -22.302 -38.723 151 H ARG 32 H ARG 32 2.674 -17.355 -41.889 152 HA ARG 32 HA ARG 32 5.587 -16.913 -41.977 153 HB2 ARG 32 2HB ARG 32 5.100 -14.768 -43.097 154 HB3 ARG 32 3HB ARG 32 4.526 -16.148 -44.024 155 HG2 ARG 32 2HG ARG 32 2.374 -15.533 -43.854 156 HG3 ARG 32 3HG ARG 32 2.555 -14.982 -42.188 157 HD2 ARG 32 2HD ARG 32 2.029 -13.199 -43.904 158 HD3 ARG 32 3HD ARG 32 3.423 -12.896 -42.866 159 HE ARG 32 HE ARG 32 4.204 -14.176 -45.276 160 HH11 ARG 32 1HH1 ARG 32 3.215 -11.104 -43.970 161 HH12 ARG 32 2HH1 ARG 32 4.058 -10.177 -45.167 162 HH21 ARG 32 1HH2 ARG 32 5.318 -12.967 -46.857 163 HH22 ARG 32 2HH2 ARG 32 5.253 -11.237 -46.809 164 H ALA 33 H ALA 33 6.347 -14.943 -40.910 165 HA ALA 33 HA ALA 33 4.589 -13.990 -38.759 166 HB1 ALA 33 3HB ALA 33 7.131 -15.457 -38.479 167 HB2 ALA 33 1HB ALA 33 6.931 -14.044 -37.441 168 HB3 ALA 33 2HB ALA 33 5.751 -15.355 -37.387 169 H THR 34 H THR 34 4.755 -11.857 -38.311 170 HA THR 34 HA THR 34 6.873 -10.348 -39.703 171 HB THR 34 HB THR 34 4.635 -8.659 -39.156 172 HG1 THR 34 HG1 THR 34 3.916 -10.823 -40.842 173 HG21 THR 34 1HG2 THR 34 4.655 -8.437 -41.646 174 HG22 THR 34 2HG2 THR 34 5.864 -9.720 -41.701 175 HG23 THR 34 3HG2 THR 34 6.230 -8.196 -40.891 176 H CYS 35 H CYS 35 8.281 -9.628 -38.246 177 HA CYS 35 HA CYS 35 7.841 -9.388 -35.503 178 HB2 CYS 35 2HB CYS 35 10.079 -9.523 -36.556 179 HB3 CYS 35 3HB CYS 35 9.869 -7.891 -37.177 180 HG CYS 35 HG CYS 35 10.055 -6.599 -34.809 181 H LYS 36 H LYS 36 7.097 -7.808 -34.202 182 HA LYS 36 HA LYS 36 5.748 -5.567 -35.452 183 HB2 LYS 36 2HB LYS 36 5.818 -6.686 -32.662 184 HB3 LYS 36 3HB LYS 36 5.096 -5.118 -32.992 185 HG2 LYS 36 2HG LYS 36 4.266 -7.634 -34.410 186 HG3 LYS 36 3HG LYS 36 3.511 -7.065 -32.919 187 HD2 LYS 36 2HD LYS 36 2.122 -5.967 -34.303 188 HD3 LYS 36 3HD LYS 36 3.451 -4.814 -34.445 189 HE2 LYS 36 2HE LYS 36 3.861 -5.380 -36.574 190 HE3 LYS 36 3HE LYS 36 3.686 -7.103 -36.244 191 HZ1 LYS 36 3HZ LYS 36 1.890 -5.437 -37.548 192 HZ2 LYS 36 1HZ LYS 36 1.169 -5.846 -36.073 193 HZ3 LYS 36 2HZ LYS 36 1.675 -7.063 -37.134 194 H ARG 37 H ARG 37 8.610 -6.178 -33.573 195 HA ARG 37 HA ARG 37 9.151 -3.676 -32.520 196 HB2 ARG 37 2HB ARG 37 10.446 -5.858 -32.217 197 HB3 ARG 37 3HB ARG 37 11.273 -5.450 -33.714 198 HG2 ARG 37 2HG ARG 37 12.410 -3.698 -32.774 199 HG3 ARG 37 3HG ARG 37 11.193 -3.439 -31.522 200 HD2 ARG 37 2HD ARG 37 11.929 -5.765 -30.663 201 HD3 ARG 37 3HD ARG 37 13.362 -5.502 -31.656 202 HE ARG 37 HE ARG 37 14.090 -3.933 -30.145 203 HH11 ARG 37 1HH1 ARG 37 10.759 -4.715 -29.501 204 HH12 ARG 37 2HH1 ARG 37 10.714 -3.861 -27.995 205 HH21 ARG 37 1HH2 ARG 37 14.043 -2.805 -28.163 206 HH22 ARG 37 2HH2 ARG 37 12.582 -2.773 -27.234 207 H GLU 38 H GLU 38 9.358 -1.759 -33.452 208 HA GLU 38 HA GLU 38 9.340 -1.265 -36.174 209 HB2 GLU 38 2HB GLU 38 9.069 0.309 -34.054 210 HB3 GLU 38 3HB GLU 38 10.756 0.665 -34.396 211 HG2 GLU 38 2HG GLU 38 9.844 2.275 -35.675 212 HG3 GLU 38 3HG GLU 38 9.753 0.967 -36.852 213 H GLY 39 H GLY 39 12.017 -2.002 -34.075 214 HA2 GLY 39 2HA GLY 39 14.109 -1.059 -35.735 215 HA3 GLY 39 3HA GLY 39 14.264 -2.270 -34.470 216 H CYS 40 H CYS 40 12.178 -3.950 -35.807 217 HA CYS 40 HA CYS 40 13.932 -5.067 -37.889 218 HB2 CYS 40 2HB CYS 40 12.412 -6.258 -35.701 219 HB3 CYS 40 3HB CYS 40 12.089 -7.036 -37.246 220 HG CYS 40 HG CYS 40 15.087 -7.112 -37.584 221 H GLY 41 H GLY 41 10.491 -5.605 -37.204 222 HA2 GLY 41 2HA GLY 41 8.682 -5.643 -38.624 223 HA3 GLY 41 3HA GLY 41 9.317 -4.102 -39.180 224 H PHE 42 H PHE 42 9.999 -7.581 -39.572 225 HA PHE 42 HA PHE 42 10.140 -7.128 -42.471 226 HB2 PHE 42 2HB PHE 42 12.091 -8.552 -42.666 227 HB3 PHE 42 3HB PHE 42 12.441 -7.246 -41.538 228 HD1 PHE 42 HD2 PHE 42 11.895 -7.847 -39.007 229 HD2 PHE 42 HD1 PHE 42 12.728 -10.672 -42.080 230 HE1 PHE 42 HE2 PHE 42 12.565 -9.494 -37.307 231 HE2 PHE 42 HE1 PHE 42 13.398 -12.324 -40.385 232 HZ PHE 42 HZ PHE 42 13.318 -11.736 -37.995 233 H ASP 43 H ASP 43 9.626 -8.947 -43.768 234 HA ASP 43 HA ASP 43 7.810 -10.799 -42.437 235 HB2 ASP 43 2HB ASP 43 6.869 -11.222 -44.566 236 HB3 ASP 43 3HB ASP 43 7.210 -9.494 -44.546 237 H TYR 44 H TYR 44 8.025 -13.004 -42.436 238 HA TYR 44 HA TYR 44 10.057 -14.362 -43.921 239 HB2 TYR 44 2HB TYR 44 11.325 -15.163 -41.925 240 HB3 TYR 44 3HB TYR 44 11.525 -13.444 -42.244 241 HD1 TYR 44 HD1 TYR 44 10.234 -11.791 -40.840 242 HD2 TYR 44 HD2 TYR 44 10.478 -15.925 -39.859 243 HE1 TYR 44 HE1 TYR 44 9.545 -11.279 -38.535 244 HE2 TYR 44 HE2 TYR 44 9.789 -15.424 -37.552 245 HH TYR 44 HH TYR 44 9.601 -12.187 -36.353 246 H CYS 45 H CYS 45 10.105 -16.694 -43.426 247 HA CYS 45 HA CYS 45 7.427 -17.627 -42.840 248 HB2 CYS 45 2HB CYS 45 9.225 -18.430 -44.673 249 HB3 CYS 45 3HB CYS 45 9.606 -19.567 -43.385 250 HG CYS 45 HG CYS 45 6.757 -19.297 -45.211 251 H THR 46 H THR 46 6.776 -18.420 -40.957 252 HA THR 46 HA THR 46 8.533 -18.549 -38.719 253 HB THR 46 HB THR 46 6.175 -17.924 -38.455 254 HG1 THR 46 HG1 THR 46 6.397 -20.349 -37.053 255 HG21 THR 46 1HG2 THR 46 4.595 -19.080 -39.519 256 HG22 THR 46 2HG2 THR 46 4.881 -20.422 -38.410 257 HG23 THR 46 3HG2 THR 46 5.750 -20.342 -39.942 258 H LYS 47 H LYS 47 7.915 -20.704 -41.203 259 HA LYS 47 HA LYS 47 8.060 -23.160 -39.744 260 HB2 LYS 47 2HB LYS 47 8.621 -22.665 -42.673 261 HB3 LYS 47 3HB LYS 47 8.282 -24.219 -41.923 262 HG2 LYS 47 2HG LYS 47 6.312 -21.960 -41.825 263 HG3 LYS 47 3HG LYS 47 6.393 -23.074 -43.193 264 HD2 LYS 47 2HD LYS 47 6.293 -24.272 -40.484 265 HD3 LYS 47 3HD LYS 47 4.822 -23.494 -41.072 266 HE2 LYS 47 2HE LYS 47 4.567 -24.988 -42.809 267 HE3 LYS 47 3HE LYS 47 6.283 -25.393 -42.850 268 HZ1 LYS 47 3HZ LYS 47 5.593 -27.235 -41.801 269 HZ2 LYS 47 1HZ LYS 47 4.151 -26.535 -41.259 270 HZ3 LYS 47 2HZ LYS 47 5.593 -26.260 -40.418 271 H CYS 48 H CYS 48 10.350 -21.851 -42.144 272 HA CYS 48 HA CYS 48 12.513 -23.282 -40.823 273 HB2 CYS 48 2HB CYS 48 12.580 -21.632 -43.357 274 HB3 CYS 48 3HB CYS 48 13.842 -22.715 -42.780 275 HG CYS 48 HG CYS 48 11.349 -24.657 -42.892 276 H LEU 49 H LEU 49 11.080 -20.341 -40.489 277 HA LEU 49 HA LEU 49 11.664 -18.366 -39.525 278 HB2 LEU 49 2HB LEU 49 13.818 -20.177 -38.477 279 HB3 LEU 49 3HB LEU 49 13.714 -18.480 -38.011 280 HG LEU 49 HG LEU 49 11.598 -20.573 -37.512 281 HD11 LEU 49 1HD1 LEU 49 12.833 -19.291 -35.218 282 HD12 LEU 49 2HD1 LEU 49 13.984 -20.216 -36.182 283 HD13 LEU 49 3HD1 LEU 49 12.542 -21.000 -35.541 284 HD21 LEU 49 3HD2 LEU 49 10.729 -18.722 -35.987 285 HD22 LEU 49 1HD2 LEU 49 10.472 -18.529 -37.722 286 HD23 LEU 49 2HD2 LEU 49 11.762 -17.634 -36.917 287 H CYS 50 H CYS 50 12.375 -18.572 -42.175 288 HA CYS 50 HA CYS 50 14.765 -16.876 -42.239 289 HB2 CYS 50 2HB CYS 50 14.583 -19.526 -43.323 290 HB3 CYS 50 3HB CYS 50 14.760 -18.375 -44.641 291 HG CYS 50 HG CYS 50 16.877 -17.798 -42.131 292 H ASN 51 H ASN 51 14.951 -16.181 -44.783 293 HA ASN 51 HA ASN 51 12.977 -14.302 -45.201 294 HB2 ASN 51 2HB ASN 51 14.620 -15.624 -47.370 295 HB3 ASN 51 3HB ASN 51 13.872 -14.031 -47.440 296 HD21 ASN 51 1HD2 ASN 51 16.506 -15.909 -46.250 297 HD22 ASN 51 2HD2 ASN 51 17.440 -14.595 -45.627 298 H TYR 52 H TYR 52 10.898 -14.490 -45.670 299 HA TYR 52 HA TYR 52 9.561 -16.836 -46.248 300 HB2 TYR 52 2HB TYR 52 8.495 -14.728 -45.467 301 HB3 TYR 52 3HB TYR 52 8.705 -14.056 -47.080 302 HD1 TYR 52 HD2 TYR 52 6.962 -16.675 -45.138 303 HD2 TYR 52 HD1 TYR 52 7.193 -14.581 -48.834 304 HE1 TYR 52 HE2 TYR 52 4.806 -17.644 -45.815 305 HE2 TYR 52 HE1 TYR 52 5.037 -15.544 -49.521 306 HH TYR 52 HH TYR 52 3.737 -18.014 -48.564 307 H HIS 53 H HIS 53 8.596 -17.667 -48.151 308 HA HIS 53 HA HIS 53 10.280 -17.746 -50.396 309 HB2 HIS 53 2HB HIS 53 7.358 -18.515 -50.234 310 HB3 HIS 53 3HB HIS 53 8.499 -19.034 -51.471 311 HD1 HIS 53 HD1 HIS 53 9.802 -21.114 -51.000 312 HD2 HIS 53 HD2 HIS 53 7.975 -19.586 -47.596 313 HE1 HIS 53 HE1 HIS 53 10.167 -22.841 -49.209 314 H THR 54 H THR 54 10.685 -15.800 -51.344 315 HA THR 54 HA THR 54 8.403 -14.520 -52.687 316 HB THR 54 HB THR 54 9.710 -12.321 -52.374 317 HG1 THR 54 HG1 THR 54 10.995 -12.320 -50.453 318 HG21 THR 54 1HG2 THR 54 8.028 -11.889 -50.977 319 HG22 THR 54 2HG2 THR 54 8.827 -12.803 -49.697 320 HG23 THR 54 3HG2 THR 54 7.740 -13.621 -50.818 321 H THR 55 H THR 55 11.943 -14.095 -52.560 322 HA THR 55 HA THR 55 12.216 -13.451 -55.278 323 HB THR 55 HB THR 55 14.293 -14.623 -53.417 324 HG1 THR 55 HG1 THR 55 14.710 -12.550 -52.854 325 HG21 THR 55 1HG2 THR 55 14.492 -13.305 -56.115 326 HG22 THR 55 2HG2 THR 55 15.141 -14.864 -55.604 327 HG23 THR 55 3HG2 THR 55 15.853 -13.369 -54.996 328 H LYS 56 H LYS 56 13.260 -16.462 -53.668 329 HA LYS 56 HA LYS 56 12.343 -17.993 -55.977 330 HB2 LYS 56 2HB LYS 56 14.624 -17.539 -56.580 331 HB3 LYS 56 3HB LYS 56 15.191 -17.980 -54.974 332 HG2 LYS 56 2HG LYS 56 14.460 -20.299 -55.386 333 HG3 LYS 56 3HG LYS 56 13.994 -19.832 -57.023 334 HD2 LYS 56 2HD LYS 56 16.183 -20.864 -57.058 335 HD3 LYS 56 3HD LYS 56 16.325 -19.151 -57.463 336 HE2 LYS 56 2HE LYS 56 17.332 -18.625 -55.457 337 HE3 LYS 56 3HE LYS 56 16.641 -20.016 -54.624 338 HZ1 LYS 56 3HZ LYS 56 18.210 -21.125 -56.547 339 HZ2 LYS 56 1HZ LYS 56 18.625 -20.947 -54.917 340 HZ3 LYS 56 2HZ LYS 56 19.118 -19.789 -56.045 341 H ASP 57 H ASP 57 14.490 -18.736 -53.241 342 HA ASP 57 HA ASP 57 12.423 -20.575 -52.228 343 HB2 ASP 57 2HB ASP 57 14.711 -21.443 -53.372 344 HB3 ASP 57 3HB ASP 57 15.256 -21.264 -51.707 345 H CYS 58 H CYS 58 12.447 -20.961 -49.946 346 HA CYS 58 HA CYS 58 13.007 -18.602 -48.436 347 HB2 CYS 58 2HB CYS 58 11.059 -19.907 -47.877 348 HB3 CYS 58 3HB CYS 58 12.038 -21.344 -47.614 349 HG CYS 58 HG CYS 58 12.337 -18.538 -45.685 Start of MODEL 12 1 H SER 13 H SER 13 -1.320 -15.664 -30.349 2 HA SER 13 HA SER 13 -0.058 -13.527 -29.025 3 HB2 SER 13 2HB SER 13 0.087 -15.529 -27.339 4 HB3 SER 13 3HB SER 13 1.372 -16.091 -28.406 5 HG SER 13 HG SER 13 1.318 -13.940 -26.670 6 H LEU 14 H LEU 14 2.104 -13.106 -29.847 7 HA LEU 14 HA LEU 14 2.379 -14.074 -32.571 8 HB2 LEU 14 2HB LEU 14 3.999 -12.005 -31.096 9 HB3 LEU 14 3HB LEU 14 4.026 -12.315 -32.831 10 HG LEU 14 HG LEU 14 1.980 -10.895 -31.185 11 HD11 LEU 14 1HD1 LEU 14 3.154 -9.279 -32.218 12 HD12 LEU 14 2HD1 LEU 14 2.114 -9.674 -33.587 13 HD13 LEU 14 3HD1 LEU 14 3.736 -10.360 -33.484 14 HD21 LEU 14 3HD2 LEU 14 0.468 -12.320 -32.167 15 HD22 LEU 14 1HD2 LEU 14 1.470 -12.573 -33.597 16 HD23 LEU 14 2HD2 LEU 14 0.588 -11.059 -33.394 17 H LYS 15 H LYS 15 4.631 -14.528 -33.381 18 HA LYS 15 HA LYS 15 5.800 -16.582 -31.724 19 HB2 LYS 15 2HB LYS 15 6.588 -15.600 -34.473 20 HB3 LYS 15 3HB LYS 15 7.221 -17.037 -33.683 21 HG2 LYS 15 2HG LYS 15 4.284 -16.858 -33.967 22 HG3 LYS 15 3HG LYS 15 5.222 -17.105 -35.442 23 HD2 LYS 15 2HD LYS 15 5.717 -19.222 -34.900 24 HD3 LYS 15 3HD LYS 15 6.081 -18.798 -33.225 25 HE2 LYS 15 2HE LYS 15 3.696 -18.776 -32.705 26 HE3 LYS 15 3HE LYS 15 3.319 -19.165 -34.383 27 HZ1 LYS 15 3HZ LYS 15 4.630 -21.240 -34.066 28 HZ2 LYS 15 1HZ LYS 15 3.223 -21.163 -33.131 29 HZ3 LYS 15 2HZ LYS 15 4.731 -20.881 -32.417 30 H ALA 16 H ALA 16 8.409 -16.618 -32.135 31 HA ALA 16 HA ALA 16 9.364 -14.078 -30.988 32 HB1 ALA 16 3HB ALA 16 9.896 -15.447 -29.282 33 HB2 ALA 16 1HB ALA 16 9.870 -16.891 -30.294 34 HB3 ALA 16 2HB ALA 16 11.288 -15.842 -30.290 35 H CYS 17 H CYS 17 10.507 -12.915 -32.381 36 HA CYS 17 HA CYS 17 11.467 -13.750 -34.840 37 HB2 CYS 17 2HB CYS 17 11.169 -11.368 -33.991 38 HB3 CYS 17 3HB CYS 17 12.737 -11.548 -33.213 39 HG CYS 17 HG CYS 17 12.019 -11.333 -36.526 40 H ILE 18 H ILE 18 13.638 -14.063 -35.614 41 HA ILE 18 HA ILE 18 15.160 -15.780 -33.862 42 HB ILE 18 HB ILE 18 16.596 -16.175 -35.815 43 HG12 ILE 18 2HG1 ILE 18 14.791 -14.172 -37.188 44 HG13 ILE 18 3HG1 ILE 18 16.491 -13.932 -36.803 45 HG21 ILE 18 1HG2 ILE 18 14.563 -17.497 -35.507 46 HG22 ILE 18 2HG2 ILE 18 13.654 -16.323 -36.456 47 HG23 ILE 18 3HG2 ILE 18 14.930 -17.271 -37.218 48 HD11 ILE 18 3HD1 ILE 18 16.148 -14.478 -39.154 49 HD12 ILE 18 1HD1 ILE 18 17.106 -15.709 -38.333 50 HD13 ILE 18 2HD1 ILE 18 15.404 -16.008 -38.690 51 H ARG 19 H ARG 19 15.025 -12.547 -34.114 52 HA ARG 19 HA ARG 19 17.916 -12.124 -33.841 53 HB2 ARG 19 2HB ARG 19 15.738 -10.047 -34.113 54 HB3 ARG 19 3HB ARG 19 17.472 -9.775 -34.208 55 HG2 ARG 19 2HG ARG 19 17.198 -11.584 -36.166 56 HG3 ARG 19 3HG ARG 19 15.604 -10.829 -36.227 57 HD2 ARG 19 2HD ARG 19 16.809 -9.502 -37.677 58 HD3 ARG 19 3HD ARG 19 16.953 -8.607 -36.166 59 HE ARG 19 HE ARG 19 19.139 -10.191 -36.144 60 HH11 ARG 19 1HH1 ARG 19 17.805 -8.006 -38.503 61 HH12 ARG 19 2HH1 ARG 19 19.344 -7.590 -39.181 62 HH21 ARG 19 1HH2 ARG 19 21.172 -9.652 -37.027 63 HH22 ARG 19 2HH2 ARG 19 21.258 -8.528 -38.341 64 H CYS 20 H CYS 20 14.915 -10.918 -32.327 65 HA CYS 20 HA CYS 20 16.251 -11.119 -29.718 66 HB2 CYS 20 2HB CYS 20 15.184 -8.979 -29.046 67 HB3 CYS 20 3HB CYS 20 16.360 -8.780 -30.339 68 HG CYS 20 HG CYS 20 14.740 -7.332 -31.700 69 H ASN 21 H ASN 21 14.339 -12.862 -31.051 70 HA ASN 21 HA ASN 21 12.284 -13.847 -30.767 71 HB2 ASN 21 2HB ASN 21 11.856 -14.468 -28.410 72 HB3 ASN 21 3HB ASN 21 13.537 -14.719 -28.868 73 HD21 ASN 21 1HD2 ASN 21 15.128 -13.417 -27.993 74 HD22 ASN 21 2HD2 ASN 21 14.844 -12.402 -26.623 75 H SER 22 H SER 22 11.775 -11.337 -31.537 76 HA SER 22 HA SER 22 10.025 -10.022 -29.638 77 HB2 SER 22 2HB SER 22 10.826 -8.287 -30.834 78 HB3 SER 22 3HB SER 22 11.318 -9.329 -32.169 79 HG SER 22 HG SER 22 9.238 -9.235 -32.978 80 HA PRO 23 HA PRO 23 6.195 -11.728 -30.925 81 HB2 PRO 23 2HB PRO 23 4.547 -9.573 -30.827 82 HB3 PRO 23 3HB PRO 23 5.183 -10.362 -29.379 83 HG2 PRO 23 2HG PRO 23 6.134 -7.880 -30.755 84 HG3 PRO 23 3HG PRO 23 5.936 -8.191 -29.021 85 HD2 PRO 23 2HD PRO 23 8.343 -8.303 -30.255 86 HD3 PRO 23 3HD PRO 23 7.932 -9.334 -28.870 87 H ALA 24 H ALA 24 6.449 -12.350 -33.055 88 HA ALA 24 HA ALA 24 5.983 -10.331 -35.135 89 HB1 ALA 24 3HB ALA 24 7.983 -11.616 -35.473 90 HB2 ALA 24 1HB ALA 24 7.090 -13.130 -35.311 91 HB3 ALA 24 2HB ALA 24 6.801 -12.079 -36.697 92 H LYS 25 H LYS 25 4.056 -10.191 -36.062 93 HA LYS 25 HA LYS 25 1.819 -11.631 -35.373 94 HB2 LYS 25 2HB LYS 25 1.691 -9.519 -36.574 95 HB3 LYS 25 3HB LYS 25 2.411 -10.256 -37.999 96 HG2 LYS 25 2HG LYS 25 -0.013 -9.973 -38.215 97 HG3 LYS 25 3HG LYS 25 0.472 -11.668 -38.295 98 HD2 LYS 25 2HD LYS 25 -1.509 -11.432 -36.914 99 HD3 LYS 25 3HD LYS 25 -0.137 -11.932 -35.923 100 HE2 LYS 25 2HE LYS 25 -1.485 -10.183 -34.840 101 HE3 LYS 25 3HE LYS 25 0.170 -9.657 -35.147 102 HZ1 LYS 25 3HZ LYS 25 -0.538 -8.359 -36.975 103 HZ2 LYS 25 1HZ LYS 25 -1.597 -8.003 -35.705 104 HZ3 LYS 25 2HZ LYS 25 -2.092 -9.027 -36.957 105 H TYR 26 H TYR 26 1.641 -13.780 -35.451 106 HA TYR 26 HA TYR 26 2.817 -15.297 -37.624 107 HB2 TYR 26 2HB TYR 26 3.071 -16.307 -35.494 108 HB3 TYR 26 3HB TYR 26 1.374 -16.068 -35.091 109 HD1 TYR 26 HD2 TYR 26 2.854 -17.472 -38.205 110 HD2 TYR 26 HD1 TYR 26 0.582 -18.227 -34.687 111 HE1 TYR 26 HE2 TYR 26 2.345 -19.735 -39.025 112 HE2 TYR 26 HE1 TYR 26 0.070 -20.492 -35.497 113 HH TYR 26 HH TYR 26 0.036 -21.793 -37.431 114 H ASP 27 H ASP 27 1.776 -15.963 -39.380 115 HA ASP 27 HA ASP 27 -1.169 -15.824 -39.392 116 HB2 ASP 27 2HB ASP 27 0.803 -14.691 -41.187 117 HB3 ASP 27 3HB ASP 27 -0.304 -15.753 -42.053 118 H CYS 28 H CYS 28 -1.662 -17.925 -38.938 119 HA CYS 28 HA CYS 28 -0.322 -20.193 -39.845 120 HB2 CYS 28 2HB CYS 28 -2.256 -21.447 -39.166 121 HB3 CYS 28 3HB CYS 28 -2.044 -20.124 -38.026 122 HG CYS 28 HG CYS 28 -4.551 -20.702 -40.195 123 H TYR 29 H TYR 29 -2.490 -18.079 -41.487 124 HA TYR 29 HA TYR 29 -3.617 -19.676 -43.428 125 HB2 TYR 29 2HB TYR 29 -3.305 -16.912 -42.990 126 HB3 TYR 29 3HB TYR 29 -2.712 -17.212 -44.620 127 HD1 TYR 29 HD2 TYR 29 -5.644 -17.477 -42.398 128 HD2 TYR 29 HD1 TYR 29 -4.209 -17.790 -46.391 129 HE1 TYR 29 HE2 TYR 29 -7.961 -17.538 -43.221 130 HE2 TYR 29 HE1 TYR 29 -6.521 -17.850 -47.225 131 HH TYR 29 HH TYR 29 -9.243 -17.242 -45.134 132 H LEU 30 H LEU 30 -0.492 -17.973 -43.629 133 HA LEU 30 HA LEU 30 0.301 -19.879 -45.733 134 HB2 LEU 30 2HB LEU 30 1.342 -17.082 -45.323 135 HB3 LEU 30 3HB LEU 30 1.745 -18.176 -46.645 136 HG LEU 30 HG LEU 30 -0.880 -16.781 -46.154 137 HD11 LEU 30 1HD1 LEU 30 -0.211 -16.179 -48.658 138 HD12 LEU 30 2HD1 LEU 30 1.406 -16.427 -48.002 139 HD13 LEU 30 3HD1 LEU 30 0.336 -15.228 -47.275 140 HD21 LEU 30 3HD2 LEU 30 -1.158 -17.970 -48.566 141 HD22 LEU 30 1HD2 LEU 30 -1.781 -18.634 -47.055 142 HD23 LEU 30 2HD2 LEU 30 -0.240 -19.202 -47.697 143 H GLN 31 H GLN 31 0.608 -19.666 -42.639 144 HA GLN 31 HA GLN 31 2.175 -20.148 -41.055 145 HB2 GLN 31 2HB GLN 31 3.185 -21.666 -43.450 146 HB3 GLN 31 3HB GLN 31 3.977 -21.772 -41.883 147 HG2 GLN 31 2HG GLN 31 1.125 -22.514 -42.493 148 HG3 GLN 31 3HG GLN 31 2.461 -23.626 -42.198 149 HE21 GLN 31 1HE2 GLN 31 -0.129 -23.160 -40.804 150 HE22 GLN 31 2HE2 GLN 31 0.296 -22.908 -39.148 151 H ARG 32 H ARG 32 2.566 -17.648 -41.758 152 HA ARG 32 HA ARG 32 5.491 -17.405 -41.899 153 HB2 ARG 32 2HB ARG 32 5.407 -15.600 -43.422 154 HB3 ARG 32 3HB ARG 32 4.342 -16.828 -44.094 155 HG2 ARG 32 2HG ARG 32 2.493 -15.506 -42.801 156 HG3 ARG 32 3HG ARG 32 3.673 -14.195 -42.878 157 HD2 ARG 32 2HD ARG 32 2.851 -15.760 -45.307 158 HD3 ARG 32 3HD ARG 32 1.960 -14.340 -44.762 159 HE ARG 32 HE ARG 32 4.780 -13.884 -45.075 160 HH11 ARG 32 1HH1 ARG 32 1.695 -13.947 -46.686 161 HH12 ARG 32 2HH1 ARG 32 2.184 -12.862 -47.945 162 HH21 ARG 32 1HH2 ARG 32 5.435 -12.453 -46.726 163 HH22 ARG 32 2HH2 ARG 32 4.311 -12.013 -47.967 164 H ALA 33 H ALA 33 6.387 -15.716 -40.707 165 HA ALA 33 HA ALA 33 4.520 -14.331 -38.894 166 HB1 ALA 33 3HB ALA 33 7.057 -15.776 -38.339 167 HB2 ALA 33 1HB ALA 33 6.676 -14.351 -37.373 168 HB3 ALA 33 2HB ALA 33 5.561 -15.717 -37.408 169 H THR 34 H THR 34 4.889 -12.185 -38.447 170 HA THR 34 HA THR 34 7.107 -10.898 -39.900 171 HB THR 34 HB THR 34 4.915 -9.076 -39.626 172 HG1 THR 34 HG1 THR 34 3.308 -10.145 -40.678 173 HG21 THR 34 1HG2 THR 34 6.903 -9.271 -41.304 174 HG22 THR 34 2HG2 THR 34 5.361 -8.615 -41.851 175 HG23 THR 34 3HG2 THR 34 5.789 -10.285 -42.219 176 H CYS 35 H CYS 35 8.457 -10.051 -38.462 177 HA CYS 35 HA CYS 35 7.999 -9.647 -35.770 178 HB2 CYS 35 2HB CYS 35 10.237 -9.678 -36.844 179 HB3 CYS 35 3HB CYS 35 9.915 -8.082 -37.512 180 HG CYS 35 HG CYS 35 9.364 -7.531 -34.472 181 H LYS 36 H LYS 36 7.073 -8.108 -34.559 182 HA LYS 36 HA LYS 36 5.781 -5.886 -35.948 183 HB2 LYS 36 2HB LYS 36 5.410 -7.053 -33.187 184 HB3 LYS 36 3HB LYS 36 4.583 -5.603 -33.743 185 HG2 LYS 36 2HG LYS 36 4.377 -8.287 -35.086 186 HG3 LYS 36 3HG LYS 36 3.224 -7.672 -33.899 187 HD2 LYS 36 2HD LYS 36 2.143 -6.902 -35.720 188 HD3 LYS 36 3HD LYS 36 3.321 -5.591 -35.627 189 HE2 LYS 36 2HE LYS 36 4.641 -7.581 -37.028 190 HE3 LYS 36 3HE LYS 36 2.988 -7.661 -37.637 191 HZ1 LYS 36 3HZ LYS 36 4.839 -5.968 -38.552 192 HZ2 LYS 36 1HZ LYS 36 4.083 -4.993 -37.395 193 HZ3 LYS 36 2HZ LYS 36 3.175 -5.682 -38.644 194 H ARG 37 H ARG 37 8.656 -5.887 -35.416 195 HA ARG 37 HA ARG 37 8.844 -3.650 -33.512 196 HB2 ARG 37 2HB ARG 37 10.214 -5.752 -33.102 197 HB3 ARG 37 3HB ARG 37 11.139 -5.318 -34.534 198 HG2 ARG 37 2HG ARG 37 12.174 -3.569 -33.509 199 HG3 ARG 37 3HG ARG 37 10.820 -3.263 -32.419 200 HD2 ARG 37 2HD ARG 37 11.460 -5.556 -31.390 201 HD3 ARG 37 3HD ARG 37 13.002 -5.300 -32.205 202 HE ARG 37 HE ARG 37 12.043 -3.959 -29.859 203 HH11 ARG 37 1HH1 ARG 37 14.131 -3.696 -32.632 204 HH12 ARG 37 2HH1 ARG 37 15.183 -2.534 -31.894 205 HH21 ARG 37 1HH2 ARG 37 13.420 -2.429 -28.876 206 HH22 ARG 37 2HH2 ARG 37 14.777 -1.815 -29.757 207 H GLU 38 H GLU 38 9.397 -1.687 -34.227 208 HA GLU 38 HA GLU 38 9.424 -1.049 -36.944 209 HB2 GLU 38 2HB GLU 38 9.218 0.396 -34.675 210 HB3 GLU 38 3HB GLU 38 10.875 0.776 -35.120 211 HG2 GLU 38 2HG GLU 38 10.109 1.532 -37.317 212 HG3 GLU 38 3HG GLU 38 8.447 1.167 -36.855 213 H GLY 39 H GLY 39 11.934 -2.212 -34.904 214 HA2 GLY 39 2HA GLY 39 14.111 -1.221 -36.522 215 HA3 GLY 39 3HA GLY 39 14.233 -2.353 -35.183 216 H CYS 40 H CYS 40 12.004 -3.917 -36.645 217 HA CYS 40 HA CYS 40 13.777 -5.207 -38.615 218 HB2 CYS 40 2HB CYS 40 12.383 -6.310 -36.303 219 HB3 CYS 40 3HB CYS 40 11.999 -7.171 -37.789 220 HG CYS 40 HG CYS 40 15.262 -6.568 -37.109 221 H GLY 41 H GLY 41 10.381 -5.778 -37.757 222 HA2 GLY 41 2HA GLY 41 8.510 -5.906 -39.089 223 HA3 GLY 41 3HA GLY 41 9.105 -4.401 -39.772 224 H PHE 42 H PHE 42 9.809 -7.892 -39.963 225 HA PHE 42 HA PHE 42 9.808 -7.637 -42.888 226 HB2 PHE 42 2HB PHE 42 11.779 -9.028 -43.086 227 HB3 PHE 42 3HB PHE 42 12.154 -7.647 -42.059 228 HD1 PHE 42 HD2 PHE 42 11.735 -8.102 -39.472 229 HD2 PHE 42 HD1 PHE 42 12.497 -11.092 -42.404 230 HE1 PHE 42 HE2 PHE 42 12.519 -9.627 -37.708 231 HE2 PHE 42 HE1 PHE 42 13.282 -12.622 -40.645 232 HZ PHE 42 HZ PHE 42 13.296 -11.890 -38.293 233 H ASP 43 H ASP 43 9.052 -9.411 -44.015 234 HA ASP 43 HA ASP 43 7.496 -11.295 -42.432 235 HB2 ASP 43 2HB ASP 43 7.530 -11.287 -45.428 236 HB3 ASP 43 3HB ASP 43 6.206 -11.664 -44.328 237 H TYR 44 H TYR 44 7.796 -13.477 -42.385 238 HA TYR 44 HA TYR 44 9.691 -14.779 -44.122 239 HB2 TYR 44 2HB TYR 44 11.087 -15.620 -42.204 240 HB3 TYR 44 3HB TYR 44 11.282 -13.907 -42.560 241 HD1 TYR 44 HD2 TYR 44 10.123 -12.223 -41.088 242 HD2 TYR 44 HD1 TYR 44 10.363 -16.349 -40.079 243 HE1 TYR 44 HE2 TYR 44 9.604 -11.674 -38.747 244 HE2 TYR 44 HE1 TYR 44 9.843 -15.812 -37.735 245 HH TYR 44 HH TYR 44 9.302 -14.218 -36.287 246 H CYS 45 H CYS 45 9.963 -17.145 -43.409 247 HA CYS 45 HA CYS 45 7.311 -18.192 -42.939 248 HB2 CYS 45 2HB CYS 45 9.421 -19.028 -44.476 249 HB3 CYS 45 3HB CYS 45 9.531 -20.112 -43.095 250 HG CYS 45 HG CYS 45 6.795 -19.724 -45.114 251 H THR 46 H THR 46 6.546 -18.776 -41.028 252 HA THR 46 HA THR 46 8.206 -18.737 -38.690 253 HB THR 46 HB THR 46 5.956 -17.921 -38.468 254 HG1 THR 46 HG1 THR 46 5.200 -19.621 -36.845 255 HG21 THR 46 1HG2 THR 46 4.414 -20.318 -38.617 256 HG22 THR 46 2HG2 THR 46 5.305 -20.124 -40.127 257 HG23 THR 46 3HG2 THR 46 4.243 -18.837 -39.557 258 H LYS 47 H LYS 47 7.617 -21.058 -41.000 259 HA LYS 47 HA LYS 47 7.452 -23.387 -39.362 260 HB2 LYS 47 2HB LYS 47 8.353 -23.147 -42.238 261 HB3 LYS 47 3HB LYS 47 7.863 -24.627 -41.425 262 HG2 LYS 47 2HG LYS 47 6.063 -22.255 -41.863 263 HG3 LYS 47 3HG LYS 47 6.128 -23.673 -42.912 264 HD2 LYS 47 2HD LYS 47 5.635 -23.957 -39.969 265 HD3 LYS 47 3HD LYS 47 4.316 -23.565 -41.073 266 HE2 LYS 47 2HE LYS 47 4.116 -25.736 -41.502 267 HE3 LYS 47 3HE LYS 47 5.700 -25.681 -42.271 268 HZ1 LYS 47 3HZ LYS 47 6.407 -27.044 -40.692 269 HZ2 LYS 47 1HZ LYS 47 4.940 -26.944 -39.856 270 HZ3 LYS 47 2HZ LYS 47 6.165 -25.819 -39.550 271 H CYS 48 H CYS 48 10.096 -22.185 -41.439 272 HA CYS 48 HA CYS 48 11.990 -23.638 -39.725 273 HB2 CYS 48 2HB CYS 48 13.574 -23.398 -41.622 274 HB3 CYS 48 3HB CYS 48 12.115 -24.280 -42.058 275 HG CYS 48 HG CYS 48 13.262 -22.309 -43.995 276 H LEU 49 H LEU 49 10.731 -20.643 -40.013 277 HA LEU 49 HA LEU 49 11.342 -18.565 -39.327 278 HB2 LEU 49 2HB LEU 49 13.577 -20.066 -37.970 279 HB3 LEU 49 3HB LEU 49 13.095 -18.406 -37.624 280 HG LEU 49 HG LEU 49 11.397 -20.856 -37.156 281 HD11 LEU 49 1HD1 LEU 49 13.007 -19.129 -35.288 282 HD12 LEU 49 2HD1 LEU 49 13.190 -20.858 -35.588 283 HD13 LEU 49 3HD1 LEU 49 11.757 -20.254 -34.755 284 HD21 LEU 49 3HD2 LEU 49 9.826 -19.402 -36.119 285 HD22 LEU 49 1HD2 LEU 49 10.185 -18.729 -37.709 286 HD23 LEU 49 2HD2 LEU 49 10.911 -18.019 -36.267 287 H CYS 50 H CYS 50 12.127 -19.166 -41.876 288 HA CYS 50 HA CYS 50 14.682 -17.721 -42.076 289 HB2 CYS 50 2HB CYS 50 13.807 -19.982 -43.886 290 HB3 CYS 50 3HB CYS 50 15.308 -19.073 -44.007 291 HG CYS 50 HG CYS 50 16.678 -20.430 -42.284 292 H ASN 51 H ASN 51 14.966 -16.885 -44.418 293 HA ASN 51 HA ASN 51 13.051 -14.969 -44.941 294 HB2 ASN 51 2HB ASN 51 14.852 -16.192 -47.038 295 HB3 ASN 51 3HB ASN 51 14.180 -14.564 -47.025 296 HD21 ASN 51 1HD2 ASN 51 16.681 -16.624 -45.922 297 HD22 ASN 51 2HD2 ASN 51 17.594 -15.433 -45.068 298 H TYR 52 H TYR 52 11.118 -14.953 -45.891 299 HA TYR 52 HA TYR 52 9.743 -17.276 -46.570 300 HB2 TYR 52 2HB TYR 52 8.890 -14.857 -46.051 301 HB3 TYR 52 3HB TYR 52 8.996 -14.644 -47.794 302 HD1 TYR 52 HD2 TYR 52 7.501 -16.863 -45.204 303 HD2 TYR 52 HD1 TYR 52 7.233 -15.320 -49.160 304 HE1 TYR 52 HE2 TYR 52 5.297 -17.923 -45.462 305 HE2 TYR 52 HE1 TYR 52 5.027 -16.374 -49.428 306 HH TYR 52 HH TYR 52 3.792 -18.345 -48.400 307 H HIS 53 H HIS 53 8.658 -17.592 -48.776 308 HA HIS 53 HA HIS 53 10.776 -17.857 -50.739 309 HB2 HIS 53 2HB HIS 53 7.902 -18.719 -51.051 310 HB3 HIS 53 3HB HIS 53 9.314 -19.331 -51.907 311 HD1 HIS 53 HD1 HIS 53 10.133 -21.496 -51.061 312 HD2 HIS 53 HD2 HIS 53 8.153 -19.344 -48.111 313 HE1 HIS 53 HE1 HIS 53 10.114 -22.990 -49.038 314 H THR 54 H THR 54 8.978 -15.347 -49.952 315 HA THR 54 HA THR 54 8.123 -14.587 -52.640 316 HB THR 54 HB THR 54 6.590 -14.142 -50.758 317 HG1 THR 54 HG1 THR 54 7.476 -11.619 -51.657 318 HG21 THR 54 1HG2 THR 54 8.131 -11.851 -49.761 319 HG22 THR 54 2HG2 THR 54 8.814 -13.425 -49.355 320 HG23 THR 54 3HG2 THR 54 7.161 -13.032 -48.884 321 H THR 55 H THR 55 10.508 -13.768 -50.204 322 HA THR 55 HA THR 55 11.457 -11.433 -51.592 323 HB THR 55 HB THR 55 11.677 -11.544 -49.169 324 HG1 THR 55 HG1 THR 55 13.388 -10.361 -49.512 325 HG21 THR 55 1HG2 THR 55 13.872 -13.524 -49.255 326 HG22 THR 55 2HG2 THR 55 12.238 -14.159 -49.446 327 HG23 THR 55 3HG2 THR 55 12.660 -13.229 -48.009 328 H LYS 56 H LYS 56 12.459 -14.799 -51.264 329 HA LYS 56 HA LYS 56 13.681 -14.964 -53.752 330 HB2 LYS 56 2HB LYS 56 15.278 -13.503 -51.997 331 HB3 LYS 56 3HB LYS 56 15.989 -15.111 -51.991 332 HG2 LYS 56 2HG LYS 56 16.518 -15.030 -54.240 333 HG3 LYS 56 3HG LYS 56 15.329 -13.770 -54.578 334 HD2 LYS 56 2HD LYS 56 17.505 -13.091 -52.687 335 HD3 LYS 56 3HD LYS 56 17.951 -13.280 -54.384 336 HE2 LYS 56 2HE LYS 56 15.971 -11.722 -54.871 337 HE3 LYS 56 3HE LYS 56 16.020 -11.340 -53.150 338 HZ1 LYS 56 3HZ LYS 56 17.361 -9.929 -54.860 339 HZ2 LYS 56 1HZ LYS 56 18.501 -11.170 -54.707 340 HZ3 LYS 56 2HZ LYS 56 18.023 -10.287 -53.346 341 H ASP 57 H ASP 57 15.671 -16.796 -53.402 342 HA ASP 57 HA ASP 57 14.349 -19.177 -52.993 343 HB2 ASP 57 2HB ASP 57 17.272 -18.469 -52.843 344 HB3 ASP 57 3HB ASP 57 16.714 -20.123 -52.603 345 H CYS 58 H CYS 58 13.339 -19.835 -51.218 346 HA CYS 58 HA CYS 58 13.620 -18.914 -48.652 347 HB2 CYS 58 2HB CYS 58 11.733 -20.267 -49.193 348 HB3 CYS 58 3HB CYS 58 12.753 -21.626 -49.651 349 HG CYS 58 HG CYS 58 13.114 -22.639 -47.272 Start of MODEL 13 1 H SER 13 H SER 13 -0.299 -15.844 -29.130 2 HA SER 13 HA SER 13 0.340 -17.854 -31.091 3 HB2 SER 13 2HB SER 13 -1.874 -16.477 -30.786 4 HB3 SER 13 3HB SER 13 -1.039 -15.281 -31.777 5 HG SER 13 HG SER 13 -1.761 -17.930 -32.438 6 H LEU 14 H LEU 14 1.752 -14.959 -30.059 7 HA LEU 14 HA LEU 14 2.840 -14.057 -32.529 8 HB2 LEU 14 2HB LEU 14 3.578 -13.546 -29.658 9 HB3 LEU 14 3HB LEU 14 4.430 -12.802 -31.010 10 HG LEU 14 HG LEU 14 2.889 -11.201 -30.178 11 HD11 LEU 14 1HD1 LEU 14 1.488 -10.782 -32.099 12 HD12 LEU 14 2HD1 LEU 14 1.653 -12.459 -32.622 13 HD13 LEU 14 3HD1 LEU 14 3.056 -11.391 -32.630 14 HD21 LEU 14 3HD2 LEU 14 0.696 -11.579 -29.581 15 HD22 LEU 14 1HD2 LEU 14 1.457 -13.101 -29.114 16 HD23 LEU 14 2HD2 LEU 14 0.545 -12.997 -30.620 17 H LYS 15 H LYS 15 4.933 -14.283 -33.339 18 HA LYS 15 HA LYS 15 6.311 -16.713 -32.434 19 HB2 LYS 15 2HB LYS 15 6.669 -15.222 -35.038 20 HB3 LYS 15 3HB LYS 15 7.310 -16.809 -34.635 21 HG2 LYS 15 2HG LYS 15 4.362 -16.260 -34.677 22 HG3 LYS 15 3HG LYS 15 5.254 -16.708 -36.133 23 HD2 LYS 15 2HD LYS 15 4.684 -18.799 -35.470 24 HD3 LYS 15 3HD LYS 15 6.129 -18.624 -34.471 25 HE2 LYS 15 2HE LYS 15 4.231 -17.490 -32.885 26 HE3 LYS 15 3HE LYS 15 3.296 -18.740 -33.705 27 HZ1 LYS 15 3HZ LYS 15 5.588 -20.015 -32.998 28 HZ2 LYS 15 1HZ LYS 15 4.117 -20.102 -32.167 29 HZ3 LYS 15 2HZ LYS 15 5.302 -19.001 -31.674 30 H ALA 16 H ALA 16 8.136 -16.523 -31.328 31 HA ALA 16 HA ALA 16 9.348 -14.031 -30.778 32 HB1 ALA 16 3HB ALA 16 10.053 -15.268 -29.073 33 HB2 ALA 16 1HB ALA 16 9.643 -16.761 -29.919 34 HB3 ALA 16 2HB ALA 16 11.221 -16.012 -30.166 35 H CYS 17 H CYS 17 10.456 -12.875 -32.210 36 HA CYS 17 HA CYS 17 11.488 -13.698 -34.622 37 HB2 CYS 17 2HB CYS 17 11.207 -11.320 -33.751 38 HB3 CYS 17 3HB CYS 17 12.763 -11.529 -32.956 39 HG CYS 17 HG CYS 17 12.926 -12.344 -36.168 40 H ILE 18 H ILE 18 13.643 -14.080 -35.368 41 HA ILE 18 HA ILE 18 15.130 -15.793 -33.580 42 HB ILE 18 HB ILE 18 16.551 -16.270 -35.519 43 HG12 ILE 18 2HG1 ILE 18 14.817 -14.235 -36.939 44 HG13 ILE 18 3HG1 ILE 18 16.523 -14.045 -36.550 45 HG21 ILE 18 1HG2 ILE 18 14.909 -17.408 -36.851 46 HG22 ILE 18 2HG2 ILE 18 14.402 -17.461 -35.164 47 HG23 ILE 18 3HG2 ILE 18 13.635 -16.332 -36.280 48 HD11 ILE 18 3HD1 ILE 18 16.233 -16.453 -38.004 49 HD12 ILE 18 1HD1 ILE 18 15.345 -15.190 -38.854 50 HD13 ILE 18 2HD1 ILE 18 17.054 -14.968 -38.481 51 H ARG 19 H ARG 19 15.033 -12.598 -33.758 52 HA ARG 19 HA ARG 19 17.937 -12.193 -33.578 53 HB2 ARG 19 2HB ARG 19 15.740 -10.130 -33.816 54 HB3 ARG 19 3HB ARG 19 17.468 -9.814 -33.858 55 HG2 ARG 19 2HG ARG 19 17.350 -11.539 -35.868 56 HG3 ARG 19 3HG ARG 19 15.690 -10.944 -35.939 57 HD2 ARG 19 2HD ARG 19 16.679 -9.402 -37.290 58 HD3 ARG 19 3HD ARG 19 16.924 -8.605 -35.738 59 HE ARG 19 HE ARG 19 19.176 -8.922 -35.973 60 HH11 ARG 19 1HH1 ARG 19 17.497 -11.015 -38.192 61 HH12 ARG 19 2HH1 ARG 19 18.940 -11.535 -38.998 62 HH21 ARG 19 1HH2 ARG 19 21.083 -9.598 -37.027 63 HH22 ARG 19 2HH2 ARG 19 20.979 -10.728 -38.334 64 H CYS 20 H CYS 20 14.972 -11.029 -31.966 65 HA CYS 20 HA CYS 20 16.381 -11.250 -29.398 66 HB2 CYS 20 2HB CYS 20 15.154 -9.116 -28.718 67 HB3 CYS 20 3HB CYS 20 16.515 -8.928 -29.818 68 HG CYS 20 HG CYS 20 15.205 -7.570 -31.545 69 H ASN 21 H ASN 21 14.241 -12.765 -30.927 70 HA ASN 21 HA ASN 21 12.247 -13.804 -30.541 71 HB2 ASN 21 2HB ASN 21 13.157 -13.385 -27.686 72 HB3 ASN 21 3HB ASN 21 11.864 -14.474 -28.176 73 HD21 ASN 21 1HD2 ASN 21 15.092 -14.236 -27.485 74 HD22 ASN 21 2HD2 ASN 21 15.641 -15.700 -28.220 75 H SER 22 H SER 22 11.554 -11.463 -31.323 76 HA SER 22 HA SER 22 9.947 -10.112 -29.294 77 HB2 SER 22 2HB SER 22 9.487 -8.561 -31.349 78 HB3 SER 22 3HB SER 22 11.063 -8.505 -30.560 79 HG SER 22 HG SER 22 11.903 -9.771 -32.194 80 HA PRO 23 HA PRO 23 6.076 -11.767 -30.523 81 HB2 PRO 23 2HB PRO 23 4.441 -9.609 -30.321 82 HB3 PRO 23 3HB PRO 23 5.112 -10.441 -28.912 83 HG2 PRO 23 2HG PRO 23 6.037 -7.925 -30.245 84 HG3 PRO 23 3HG PRO 23 5.884 -8.284 -28.516 85 HD2 PRO 23 2HD PRO 23 8.257 -8.370 -29.817 86 HD3 PRO 23 3HD PRO 23 7.879 -9.437 -28.450 87 H ALA 24 H ALA 24 6.229 -12.341 -32.668 88 HA ALA 24 HA ALA 24 5.784 -10.267 -34.692 89 HB1 ALA 24 3HB ALA 24 7.705 -11.892 -34.887 90 HB2 ALA 24 1HB ALA 24 6.503 -13.144 -35.197 91 HB3 ALA 24 2HB ALA 24 6.651 -11.773 -36.296 92 H LYS 25 H LYS 25 3.999 -10.202 -35.956 93 HA LYS 25 HA LYS 25 1.637 -11.472 -35.089 94 HB2 LYS 25 2HB LYS 25 1.485 -9.355 -36.200 95 HB3 LYS 25 3HB LYS 25 2.303 -9.978 -37.626 96 HG2 LYS 25 2HG LYS 25 -0.103 -9.715 -37.977 97 HG3 LYS 25 3HG LYS 25 0.410 -11.397 -38.133 98 HD2 LYS 25 2HD LYS 25 -1.658 -11.264 -36.868 99 HD3 LYS 25 3HD LYS 25 -0.346 -11.821 -35.829 100 HE2 LYS 25 2HE LYS 25 -0.107 -9.592 -34.897 101 HE3 LYS 25 3HE LYS 25 -1.354 -8.982 -35.984 102 HZ1 LYS 25 3HZ LYS 25 -1.631 -10.663 -33.600 103 HZ2 LYS 25 1HZ LYS 25 -2.753 -10.854 -34.851 104 HZ3 LYS 25 2HZ LYS 25 -2.566 -9.347 -34.105 105 H TYR 26 H TYR 26 1.465 -13.632 -35.188 106 HA TYR 26 HA TYR 26 2.578 -15.188 -37.316 107 HB2 TYR 26 2HB TYR 26 2.449 -16.182 -35.132 108 HB3 TYR 26 3HB TYR 26 0.715 -15.892 -35.043 109 HD1 TYR 26 HD2 TYR 26 2.730 -17.311 -37.838 110 HD2 TYR 26 HD1 TYR 26 -0.233 -18.014 -34.867 111 HE1 TYR 26 HE2 TYR 26 2.313 -19.541 -38.789 112 HE2 TYR 26 HE1 TYR 26 -0.658 -20.246 -35.809 113 HH TYR 26 HH TYR 26 -0.178 -21.680 -37.435 114 H ASP 27 H ASP 27 1.634 -15.952 -39.118 115 HA ASP 27 HA ASP 27 -1.253 -15.493 -39.470 116 HB2 ASP 27 2HB ASP 27 0.971 -14.425 -41.011 117 HB3 ASP 27 3HB ASP 27 -0.157 -15.325 -42.022 118 H CYS 28 H CYS 28 -1.827 -17.614 -39.116 119 HA CYS 28 HA CYS 28 -0.538 -19.888 -40.057 120 HB2 CYS 28 2HB CYS 28 -2.635 -21.064 -39.676 121 HB3 CYS 28 3HB CYS 28 -2.350 -19.911 -38.377 122 HG CYS 28 HG CYS 28 -4.726 -18.969 -38.532 123 H TYR 29 H TYR 29 -2.459 -17.584 -41.747 124 HA TYR 29 HA TYR 29 -3.504 -19.010 -43.856 125 HB2 TYR 29 2HB TYR 29 -3.080 -16.299 -43.248 126 HB3 TYR 29 3HB TYR 29 -2.345 -16.549 -44.828 127 HD1 TYR 29 HD2 TYR 29 -5.497 -16.802 -42.919 128 HD2 TYR 29 HD1 TYR 29 -3.683 -16.892 -46.766 129 HE1 TYR 29 HE2 TYR 29 -7.721 -16.681 -43.963 130 HE2 TYR 29 HE1 TYR 29 -5.901 -16.770 -47.821 131 HH TYR 29 HH TYR 29 -8.091 -16.660 -47.498 132 H LEU 30 H LEU 30 -0.258 -17.557 -43.664 133 HA LEU 30 HA LEU 30 0.596 -19.428 -45.774 134 HB2 LEU 30 2HB LEU 30 1.659 -16.654 -45.266 135 HB3 LEU 30 3HB LEU 30 2.198 -17.761 -46.527 136 HG LEU 30 HG LEU 30 -0.443 -16.325 -46.343 137 HD11 LEU 30 1HD1 LEU 30 0.391 -14.901 -47.837 138 HD12 LEU 30 2HD1 LEU 30 1.074 -16.200 -48.815 139 HD13 LEU 30 3HD1 LEU 30 1.974 -15.568 -47.435 140 HD21 LEU 30 3HD2 LEU 30 0.231 -18.834 -47.647 141 HD22 LEU 30 1HD2 LEU 30 -0.365 -17.617 -48.776 142 HD23 LEU 30 2HD2 LEU 30 -1.343 -18.081 -47.383 143 H GLN 31 H GLN 31 0.677 -19.293 -42.677 144 HA GLN 31 HA GLN 31 2.100 -19.851 -40.987 145 HB2 GLN 31 2HB GLN 31 3.494 -21.276 -43.261 146 HB3 GLN 31 3HB GLN 31 3.773 -21.582 -41.552 147 HG2 GLN 31 2HG GLN 31 1.042 -21.845 -42.746 148 HG3 GLN 31 3HG GLN 31 2.217 -23.154 -42.846 149 HE21 GLN 31 1HE2 GLN 31 -0.396 -22.432 -41.281 150 HE22 GLN 31 2HE2 GLN 31 -0.041 -23.008 -39.692 151 H ARG 32 H ARG 32 2.600 -17.346 -41.569 152 HA ARG 32 HA ARG 32 5.531 -17.165 -41.480 153 HB2 ARG 32 2HB ARG 32 5.588 -15.287 -42.930 154 HB3 ARG 32 3HB ARG 32 4.604 -16.499 -43.738 155 HG2 ARG 32 2HG ARG 32 2.631 -15.224 -42.575 156 HG3 ARG 32 3HG ARG 32 3.801 -13.905 -42.524 157 HD2 ARG 32 2HD ARG 32 3.253 -15.420 -45.054 158 HD3 ARG 32 3HD ARG 32 2.238 -14.068 -44.556 159 HE ARG 32 HE ARG 32 5.026 -13.420 -44.559 160 HH11 ARG 32 1HH1 ARG 32 2.185 -13.716 -46.549 161 HH12 ARG 32 2HH1 ARG 32 2.745 -12.593 -47.744 162 HH21 ARG 32 1HH2 ARG 32 5.775 -11.941 -46.125 163 HH22 ARG 32 2HH2 ARG 32 4.789 -11.585 -47.502 164 H ALA 33 H ALA 33 6.319 -15.192 -40.445 165 HA ALA 33 HA ALA 33 4.360 -13.967 -38.623 166 HB1 ALA 33 3HB ALA 33 6.903 -14.141 -37.335 167 HB2 ALA 33 1HB ALA 33 5.352 -14.812 -36.829 168 HB3 ALA 33 2HB ALA 33 6.416 -15.746 -37.881 169 H THR 34 H THR 34 4.662 -11.819 -38.153 170 HA THR 34 HA THR 34 6.857 -10.476 -39.593 171 HB THR 34 HB THR 34 4.579 -8.764 -38.984 172 HG1 THR 34 HG1 THR 34 3.344 -10.601 -39.392 173 HG21 THR 34 1HG2 THR 34 6.543 -8.366 -40.558 174 HG22 THR 34 2HG2 THR 34 4.940 -7.975 -41.181 175 HG23 THR 34 3HG2 THR 34 5.737 -9.469 -41.671 176 H CYS 35 H CYS 35 8.318 -9.692 -38.234 177 HA CYS 35 HA CYS 35 8.020 -9.429 -35.480 178 HB2 CYS 35 2HB CYS 35 10.202 -9.543 -36.632 179 HB3 CYS 35 3HB CYS 35 9.936 -7.928 -37.277 180 HG CYS 35 HG CYS 35 9.763 -8.193 -33.927 181 H LYS 36 H LYS 36 7.000 -8.001 -34.248 182 HA LYS 36 HA LYS 36 5.697 -5.726 -35.415 183 HB2 LYS 36 2HB LYS 36 5.835 -6.866 -32.634 184 HB3 LYS 36 3HB LYS 36 5.064 -5.316 -32.947 185 HG2 LYS 36 2HG LYS 36 4.291 -7.894 -34.294 186 HG3 LYS 36 3HG LYS 36 3.495 -7.233 -32.863 187 HD2 LYS 36 2HD LYS 36 2.325 -5.765 -34.077 188 HD3 LYS 36 3HD LYS 36 3.746 -5.280 -35.005 189 HE2 LYS 36 2HE LYS 36 3.419 -7.572 -36.190 190 HE3 LYS 36 3HE LYS 36 1.782 -7.473 -35.543 191 HZ1 LYS 36 3HZ LYS 36 2.808 -5.120 -36.930 192 HZ2 LYS 36 1HZ LYS 36 1.244 -5.768 -36.907 193 HZ3 LYS 36 2HZ LYS 36 2.436 -6.468 -37.883 194 H ARG 37 H ARG 37 8.645 -6.302 -33.708 195 HA ARG 37 HA ARG 37 9.151 -3.812 -32.579 196 HB2 ARG 37 2HB ARG 37 10.505 -6.025 -32.466 197 HB3 ARG 37 3HB ARG 37 11.323 -5.411 -33.897 198 HG2 ARG 37 2HG ARG 37 12.484 -3.878 -32.738 199 HG3 ARG 37 3HG ARG 37 11.135 -3.519 -31.658 200 HD2 ARG 37 2HD ARG 37 11.700 -5.998 -30.830 201 HD3 ARG 37 3HD ARG 37 13.298 -5.525 -31.406 202 HE ARG 37 HE ARG 37 12.559 -3.431 -29.868 203 HH11 ARG 37 1HH1 ARG 37 12.655 -6.868 -29.329 204 HH12 ARG 37 2HH1 ARG 37 12.958 -6.725 -27.629 205 HH21 ARG 37 1HH2 ARG 37 12.958 -3.228 -27.632 206 HH22 ARG 37 2HH2 ARG 37 13.131 -4.654 -26.664 207 H GLU 38 H GLU 38 9.201 -1.876 -33.492 208 HA GLU 38 HA GLU 38 9.119 -1.337 -36.204 209 HB2 GLU 38 2HB GLU 38 9.590 0.963 -35.644 210 HB3 GLU 38 3HB GLU 38 8.547 0.277 -34.406 211 HG2 GLU 38 2HG GLU 38 10.710 -0.160 -33.104 212 HG3 GLU 38 3HG GLU 38 11.455 0.964 -34.238 213 H GLY 39 H GLY 39 11.863 -1.967 -34.157 214 HA2 GLY 39 2HA GLY 39 13.879 -0.882 -35.817 215 HA3 GLY 39 3HA GLY 39 14.113 -2.118 -34.590 216 H CYS 40 H CYS 40 12.133 -3.898 -35.905 217 HA CYS 40 HA CYS 40 13.901 -4.857 -38.051 218 HB2 CYS 40 2HB CYS 40 12.529 -6.173 -35.859 219 HB3 CYS 40 3HB CYS 40 12.121 -6.911 -37.402 220 HG CYS 40 HG CYS 40 15.213 -6.635 -35.984 221 H GLY 41 H GLY 41 10.486 -5.528 -37.322 222 HA2 GLY 41 2HA GLY 41 8.651 -5.590 -38.705 223 HA3 GLY 41 3HA GLY 41 9.262 -4.054 -39.302 224 H PHE 42 H PHE 42 9.948 -7.537 -39.638 225 HA PHE 42 HA PHE 42 10.069 -7.131 -42.545 226 HB2 PHE 42 2HB PHE 42 12.006 -8.565 -42.733 227 HB3 PHE 42 3HB PHE 42 12.372 -7.264 -41.606 228 HD1 PHE 42 HD2 PHE 42 11.782 -7.875 -39.073 229 HD2 PHE 42 HD1 PHE 42 12.661 -10.678 -42.152 230 HE1 PHE 42 HE2 PHE 42 12.434 -9.531 -37.374 231 HE2 PHE 42 HE1 PHE 42 13.313 -12.340 -40.458 232 HZ PHE 42 HZ PHE 42 13.202 -11.766 -38.066 233 H ASP 43 H ASP 43 9.432 -8.899 -43.811 234 HA ASP 43 HA ASP 43 7.634 -10.728 -42.443 235 HB2 ASP 43 2HB ASP 43 6.663 -11.155 -44.552 236 HB3 ASP 43 3HB ASP 43 7.056 -9.438 -44.574 237 H TYR 44 H TYR 44 7.818 -12.935 -42.405 238 HA TYR 44 HA TYR 44 9.754 -14.383 -43.903 239 HB2 TYR 44 2HB TYR 44 11.175 -15.087 -42.002 240 HB3 TYR 44 3HB TYR 44 11.318 -13.367 -42.346 241 HD1 TYR 44 HD1 TYR 44 10.011 -11.743 -40.883 242 HD2 TYR 44 HD2 TYR 44 10.571 -15.834 -39.861 243 HE1 TYR 44 HE1 TYR 44 9.474 -11.224 -38.540 244 HE2 TYR 44 HE2 TYR 44 10.035 -15.327 -37.515 245 HH TYR 44 HH TYR 44 9.803 -13.632 -36.005 246 H CYS 45 H CYS 45 9.707 -16.671 -43.451 247 HA CYS 45 HA CYS 45 7.098 -17.555 -42.674 248 HB2 CYS 45 2HB CYS 45 9.211 -18.568 -44.237 249 HB3 CYS 45 3HB CYS 45 8.987 -19.717 -42.924 250 HG CYS 45 HG CYS 45 6.265 -20.129 -43.466 251 H THR 46 H THR 46 6.486 -18.760 -40.909 252 HA THR 46 HA THR 46 8.161 -18.469 -38.562 253 HB THR 46 HB THR 46 5.837 -17.954 -38.258 254 HG1 THR 46 HG1 THR 46 6.075 -20.500 -37.053 255 HG21 THR 46 1HG2 THR 46 4.261 -19.010 -39.426 256 HG22 THR 46 2HG2 THR 46 4.546 -20.463 -38.468 257 HG23 THR 46 3HG2 THR 46 5.437 -20.206 -39.968 258 H LYS 47 H LYS 47 7.569 -20.844 -40.905 259 HA LYS 47 HA LYS 47 7.977 -23.149 -39.246 260 HB2 LYS 47 2HB LYS 47 8.353 -23.039 -42.233 261 HB3 LYS 47 3HB LYS 47 7.894 -24.419 -41.246 262 HG2 LYS 47 2HG LYS 47 6.191 -21.978 -41.696 263 HG3 LYS 47 3HG LYS 47 6.022 -23.511 -42.554 264 HD2 LYS 47 2HD LYS 47 6.040 -23.716 -39.620 265 HD3 LYS 47 3HD LYS 47 4.659 -22.851 -40.301 266 HE2 LYS 47 2HE LYS 47 5.573 -25.622 -41.070 267 HE3 LYS 47 3HE LYS 47 4.186 -25.237 -40.053 268 HZ1 LYS 47 3HZ LYS 47 4.197 -25.506 -42.788 269 HZ2 LYS 47 1HZ LYS 47 4.064 -23.840 -42.524 270 HZ3 LYS 47 2HZ LYS 47 2.937 -24.898 -41.836 271 H CYS 48 H CYS 48 9.951 -21.755 -41.875 272 HA CYS 48 HA CYS 48 12.304 -23.105 -40.851 273 HB2 CYS 48 2HB CYS 48 13.425 -22.167 -42.840 274 HB3 CYS 48 3HB CYS 48 11.960 -23.046 -43.262 275 HG CYS 48 HG CYS 48 12.687 -19.790 -43.636 276 H LEU 49 H LEU 49 10.752 -20.195 -40.294 277 HA LEU 49 HA LEU 49 11.326 -18.238 -39.282 278 HB2 LEU 49 2HB LEU 49 13.414 -20.103 -38.184 279 HB3 LEU 49 3HB LEU 49 13.254 -18.433 -37.645 280 HG LEU 49 HG LEU 49 11.205 -20.627 -37.346 281 HD11 LEU 49 1HD1 LEU 49 13.031 -19.218 -35.419 282 HD12 LEU 49 2HD1 LEU 49 12.921 -20.945 -35.755 283 HD13 LEU 49 3HD1 LEU 49 11.610 -20.127 -34.906 284 HD21 LEU 49 3HD2 LEU 49 9.934 -18.950 -36.054 285 HD22 LEU 49 1HD2 LEU 49 10.083 -18.528 -37.761 286 HD23 LEU 49 2HD2 LEU 49 11.090 -17.716 -36.562 287 H CYS 50 H CYS 50 12.365 -18.685 -41.933 288 HA CYS 50 HA CYS 50 14.719 -16.923 -41.800 289 HB2 CYS 50 2HB CYS 50 14.588 -19.560 -42.884 290 HB3 CYS 50 3HB CYS 50 14.807 -18.432 -44.216 291 HG CYS 50 HG CYS 50 17.277 -17.775 -43.739 292 H ASN 51 H ASN 51 15.111 -16.021 -44.162 293 HA ASN 51 HA ASN 51 13.117 -14.210 -44.727 294 HB2 ASN 51 2HB ASN 51 15.013 -15.295 -46.812 295 HB3 ASN 51 3HB ASN 51 14.297 -13.687 -46.742 296 HD21 ASN 51 1HD2 ASN 51 14.697 -12.970 -44.160 297 HD22 ASN 51 2HD2 ASN 51 16.390 -12.859 -43.828 298 H TYR 52 H TYR 52 11.156 -14.379 -45.573 299 HA TYR 52 HA TYR 52 9.957 -16.728 -46.387 300 HB2 TYR 52 2HB TYR 52 8.917 -14.421 -45.810 301 HB3 TYR 52 3HB TYR 52 9.100 -14.081 -47.528 302 HD1 TYR 52 HD1 TYR 52 7.421 -16.256 -45.064 303 HD2 TYR 52 HD2 TYR 52 7.644 -15.066 -49.143 304 HE1 TYR 52 HE1 TYR 52 5.301 -17.418 -45.513 305 HE2 TYR 52 HE2 TYR 52 5.523 -16.224 -49.603 306 HH TYR 52 HH TYR 52 4.273 -18.345 -48.333 307 H HIS 53 H HIS 53 9.145 -17.367 -48.506 308 HA HIS 53 HA HIS 53 11.126 -17.743 -50.393 309 HB2 HIS 53 2HB HIS 53 8.133 -17.701 -50.836 310 HB3 HIS 53 3HB HIS 53 9.312 -18.395 -51.945 311 HD1 HIS 53 HD1 HIS 53 9.711 -20.817 -51.659 312 HD2 HIS 53 HD2 HIS 53 8.252 -19.070 -48.184 313 HE1 HIS 53 HE1 HIS 53 9.388 -22.712 -50.038 314 H THR 54 H THR 54 8.254 -15.777 -51.123 315 HA THR 54 HA THR 54 7.984 -14.025 -52.572 316 HB THR 54 HB THR 54 9.725 -12.151 -52.165 317 HG1 THR 54 HG1 THR 54 11.305 -12.615 -50.838 318 HG21 THR 54 1HG2 THR 54 8.006 -11.479 -50.915 319 HG22 THR 54 2HG2 THR 54 8.715 -12.353 -49.557 320 HG23 THR 54 3HG2 THR 54 7.528 -13.145 -50.592 321 H THR 55 H THR 55 9.042 -16.055 -53.971 322 HA THR 55 HA THR 55 10.077 -16.520 -55.946 323 HB THR 55 HB THR 55 10.914 -13.633 -56.139 324 HG1 THR 55 HG1 THR 55 8.897 -13.080 -56.604 325 HG21 THR 55 1HG2 THR 55 11.499 -15.651 -57.786 326 HG22 THR 55 2HG2 THR 55 11.194 -14.014 -58.367 327 HG23 THR 55 3HG2 THR 55 9.915 -15.227 -58.433 328 H LYS 56 H LYS 56 11.495 -16.846 -53.519 329 HA LYS 56 HA LYS 56 14.221 -16.735 -54.555 330 HB2 LYS 56 2HB LYS 56 13.570 -15.817 -51.753 331 HB3 LYS 56 3HB LYS 56 15.145 -15.808 -52.535 332 HG2 LYS 56 2HG LYS 56 12.808 -14.188 -53.512 333 HG3 LYS 56 3HG LYS 56 14.006 -13.582 -52.366 334 HD2 LYS 56 2HD LYS 56 14.864 -14.768 -54.980 335 HD3 LYS 56 3HD LYS 56 14.308 -13.095 -54.896 336 HE2 LYS 56 2HE LYS 56 16.000 -12.706 -53.101 337 HE3 LYS 56 3HE LYS 56 16.614 -14.332 -53.398 338 HZ1 LYS 56 3HZ LYS 56 17.860 -13.494 -55.006 339 HZ2 LYS 56 1HZ LYS 56 17.196 -11.953 -54.786 340 HZ3 LYS 56 2HZ LYS 56 16.470 -13.042 -55.857 341 H ASP 57 H ASP 57 15.312 -18.565 -54.175 342 HA ASP 57 HA ASP 57 14.153 -20.881 -53.277 343 HB2 ASP 57 2HB ASP 57 17.049 -20.044 -53.339 344 HB3 ASP 57 3HB ASP 57 16.554 -21.667 -52.868 345 H CYS 58 H CYS 58 13.133 -21.054 -51.372 346 HA CYS 58 HA CYS 58 13.661 -19.734 -49.015 347 HB2 CYS 58 2HB CYS 58 11.611 -20.961 -49.290 348 HB3 CYS 58 3HB CYS 58 12.481 -22.481 -49.451 349 HG CYS 58 HG CYS 58 13.533 -21.955 -46.686 Start of MODEL 14 1 H SER 13 H SER 13 0.007 -14.062 -28.234 2 HA SER 13 HA SER 13 -0.195 -16.574 -29.540 3 HB2 SER 13 2HB SER 13 -1.350 -13.891 -30.339 4 HB3 SER 13 3HB SER 13 -1.843 -15.455 -30.988 5 HG SER 13 HG SER 13 -2.544 -16.031 -28.911 6 H LEU 14 H LEU 14 1.926 -13.995 -29.949 7 HA LEU 14 HA LEU 14 2.370 -14.480 -32.789 8 HB2 LEU 14 2HB LEU 14 3.786 -12.587 -30.920 9 HB3 LEU 14 3HB LEU 14 3.933 -12.630 -32.676 10 HG LEU 14 HG LEU 14 1.752 -11.530 -30.973 11 HD11 LEU 14 1HD1 LEU 14 2.803 -9.732 -31.788 12 HD12 LEU 14 2HD1 LEU 14 1.923 -10.081 -33.275 13 HD13 LEU 14 3HD1 LEU 14 3.581 -10.648 -33.078 14 HD21 LEU 14 3HD2 LEU 14 0.355 -12.930 -32.164 15 HD22 LEU 14 1HD2 LEU 14 1.384 -12.914 -33.596 16 HD23 LEU 14 2HD2 LEU 14 0.405 -11.502 -33.199 17 H LYS 15 H LYS 15 4.696 -14.685 -33.503 18 HA LYS 15 HA LYS 15 5.875 -16.923 -32.109 19 HB2 LYS 15 2HB LYS 15 7.047 -15.536 -34.511 20 HB3 LYS 15 3HB LYS 15 7.239 -17.213 -34.016 21 HG2 LYS 15 2HG LYS 15 4.756 -15.932 -35.134 22 HG3 LYS 15 3HG LYS 15 5.800 -17.114 -35.929 23 HD2 LYS 15 2HD LYS 15 4.193 -17.597 -33.419 24 HD3 LYS 15 3HD LYS 15 3.752 -18.141 -35.040 25 HE2 LYS 15 2HE LYS 15 6.173 -19.203 -34.945 26 HE3 LYS 15 3HE LYS 15 5.880 -19.125 -33.209 27 HZ1 LYS 15 3HZ LYS 15 5.081 -21.199 -33.811 28 HZ2 LYS 15 1HZ LYS 15 4.405 -20.647 -35.260 29 HZ3 LYS 15 2HZ LYS 15 3.675 -20.259 -33.786 30 H ALA 16 H ALA 16 8.499 -16.779 -32.325 31 HA ALA 16 HA ALA 16 9.250 -14.375 -30.791 32 HB1 ALA 16 3HB ALA 16 9.558 -15.996 -29.220 33 HB2 ALA 16 1HB ALA 16 9.898 -17.248 -30.415 34 HB3 ALA 16 2HB ALA 16 11.136 -16.060 -30.005 35 H CYS 17 H CYS 17 10.454 -13.047 -31.971 36 HA CYS 17 HA CYS 17 11.670 -13.594 -34.389 37 HB2 CYS 17 2HB CYS 17 11.226 -11.325 -33.311 38 HB3 CYS 17 3HB CYS 17 12.734 -11.557 -32.436 39 HG CYS 17 HG CYS 17 12.297 -11.104 -35.785 40 H ILE 18 H ILE 18 13.909 -13.784 -34.987 41 HA ILE 18 HA ILE 18 15.316 -15.648 -33.292 42 HB ILE 18 HB ILE 18 16.939 -15.794 -35.134 43 HG12 ILE 18 2HG1 ILE 18 15.180 -13.717 -36.459 44 HG13 ILE 18 3HG1 ILE 18 16.826 -13.460 -35.891 45 HG21 ILE 18 1HG2 ILE 18 14.982 -17.225 -35.169 46 HG22 ILE 18 2HG2 ILE 18 14.056 -15.974 -35.997 47 HG23 ILE 18 3HG2 ILE 18 15.415 -16.748 -36.811 48 HD11 ILE 18 3HD1 ILE 18 16.775 -13.760 -38.290 49 HD12 ILE 18 1HD1 ILE 18 17.634 -15.094 -37.520 50 HD13 ILE 18 2HD1 ILE 18 15.983 -15.323 -38.097 51 H ARG 19 H ARG 19 15.123 -12.395 -33.262 52 HA ARG 19 HA ARG 19 17.960 -11.941 -32.681 53 HB2 ARG 19 2HB ARG 19 15.719 -9.923 -32.902 54 HB3 ARG 19 3HB ARG 19 17.438 -9.570 -32.776 55 HG2 ARG 19 2HG ARG 19 17.593 -11.011 -34.951 56 HG3 ARG 19 3HG ARG 19 15.881 -10.608 -35.092 57 HD2 ARG 19 2HD ARG 19 16.863 -8.879 -36.256 58 HD3 ARG 19 3HD ARG 19 16.699 -8.177 -34.647 59 HE ARG 19 HE ARG 19 19.215 -9.454 -34.950 60 HH11 ARG 19 1HH1 ARG 19 17.448 -6.585 -35.826 61 HH12 ARG 19 2HH1 ARG 19 18.865 -5.602 -35.980 62 HH21 ARG 19 1HH2 ARG 19 21.090 -8.169 -35.150 63 HH22 ARG 19 2HH2 ARG 19 20.936 -6.503 -35.596 64 H CYS 20 H CYS 20 14.801 -11.061 -31.268 65 HA CYS 20 HA CYS 20 15.932 -11.558 -28.609 66 HB2 CYS 20 2HB CYS 20 14.695 -9.499 -27.799 67 HB3 CYS 20 3HB CYS 20 16.121 -9.194 -28.785 68 HG CYS 20 HG CYS 20 14.738 -7.394 -30.033 69 H ASN 21 H ASN 21 14.144 -13.103 -30.291 70 HA ASN 21 HA ASN 21 12.068 -14.088 -30.308 71 HB2 ASN 21 2HB ASN 21 11.429 -14.961 -28.066 72 HB3 ASN 21 3HB ASN 21 13.127 -15.226 -28.450 73 HD21 ASN 21 1HD2 ASN 21 14.703 -14.084 -27.341 74 HD22 ASN 21 2HD2 ASN 21 14.366 -13.235 -25.875 75 H SER 22 H SER 22 11.530 -11.594 -30.888 76 HA SER 22 HA SER 22 9.691 -10.431 -28.967 77 HB2 SER 22 2HB SER 22 10.509 -8.588 -29.967 78 HB3 SER 22 3HB SER 22 11.136 -9.517 -31.329 79 HG SER 22 HG SER 22 8.986 -7.954 -31.248 80 HA PRO 23 HA PRO 23 5.938 -12.008 -30.599 81 HB2 PRO 23 2HB PRO 23 4.288 -9.856 -30.447 82 HB3 PRO 23 3HB PRO 23 4.837 -10.748 -29.023 83 HG2 PRO 23 2HG PRO 23 5.870 -8.181 -30.164 84 HG3 PRO 23 3HG PRO 23 5.569 -8.612 -28.470 85 HD2 PRO 23 2HD PRO 23 8.045 -8.648 -29.565 86 HD3 PRO 23 3HD PRO 23 7.552 -9.772 -28.282 87 H ALA 24 H ALA 24 6.216 -12.502 -32.740 88 HA ALA 24 HA ALA 24 5.882 -10.332 -34.698 89 HB1 ALA 24 3HB ALA 24 6.886 -13.113 -35.258 90 HB2 ALA 24 1HB ALA 24 6.997 -11.689 -36.293 91 HB3 ALA 24 2HB ALA 24 7.939 -11.774 -34.805 92 H LYS 25 H LYS 25 3.962 -10.139 -35.624 93 HA LYS 25 HA LYS 25 1.763 -11.734 -35.202 94 HB2 LYS 25 2HB LYS 25 2.101 -9.392 -36.419 95 HB3 LYS 25 3HB LYS 25 1.997 -10.400 -37.856 96 HG2 LYS 25 2HG LYS 25 -0.074 -10.411 -35.677 97 HG3 LYS 25 3HG LYS 25 -0.158 -9.372 -37.101 98 HD2 LYS 25 2HD LYS 25 -1.119 -11.039 -38.211 99 HD3 LYS 25 3HD LYS 25 0.370 -11.972 -38.040 100 HE2 LYS 25 2HE LYS 25 -1.585 -13.199 -37.207 101 HE3 LYS 25 3HE LYS 25 -0.413 -12.879 -35.929 102 HZ1 LYS 25 3HZ LYS 25 -2.736 -11.107 -36.388 103 HZ2 LYS 25 1HZ LYS 25 -1.765 -11.232 -35.008 104 HZ3 LYS 25 2HZ LYS 25 -2.844 -12.475 -35.399 105 H TYR 26 H TYR 26 1.565 -13.836 -35.602 106 HA TYR 26 HA TYR 26 2.957 -15.078 -37.815 107 HB2 TYR 26 2HB TYR 26 2.955 -16.346 -35.805 108 HB3 TYR 26 3HB TYR 26 1.220 -16.147 -35.593 109 HD1 TYR 26 HD1 TYR 26 3.118 -17.164 -38.633 110 HD2 TYR 26 HD2 TYR 26 0.376 -18.321 -35.592 111 HE1 TYR 26 HE1 TYR 26 2.740 -19.300 -39.794 112 HE2 TYR 26 HE2 TYR 26 -0.009 -20.459 -36.744 113 HH TYR 26 HH TYR 26 1.000 -21.900 -38.337 114 H ASP 27 H ASP 27 2.123 -15.515 -39.746 115 HA ASP 27 HA ASP 27 -0.797 -15.292 -40.082 116 HB2 ASP 27 2HB ASP 27 1.431 -14.110 -41.557 117 HB3 ASP 27 3HB ASP 27 0.285 -14.945 -42.603 118 H CYS 28 H CYS 28 -1.170 -17.499 -39.732 119 HA CYS 28 HA CYS 28 0.176 -19.644 -40.832 120 HB2 CYS 28 2HB CYS 28 -2.010 -20.873 -40.627 121 HB3 CYS 28 3HB CYS 28 -1.504 -20.028 -39.168 122 HG CYS 28 HG CYS 28 -3.213 -17.750 -40.086 123 H TYR 29 H TYR 29 -1.970 -17.398 -42.360 124 HA TYR 29 HA TYR 29 -2.918 -18.786 -44.535 125 HB2 TYR 29 2HB TYR 29 -2.730 -16.089 -43.775 126 HB3 TYR 29 3HB TYR 29 -2.000 -16.177 -45.373 127 HD1 TYR 29 HD1 TYR 29 -5.087 -16.838 -43.453 128 HD2 TYR 29 HD2 TYR 29 -3.329 -16.519 -47.315 129 HE1 TYR 29 HE1 TYR 29 -7.327 -16.858 -44.468 130 HE2 TYR 29 HE2 TYR 29 -5.564 -16.537 -48.340 131 HH TYR 29 HH TYR 29 -8.499 -16.684 -46.346 132 H LEU 30 H LEU 30 0.208 -17.112 -44.259 133 HA LEU 30 HA LEU 30 1.168 -18.732 -46.526 134 HB2 LEU 30 2HB LEU 30 2.047 -15.946 -45.785 135 HB3 LEU 30 3HB LEU 30 2.643 -16.902 -47.141 136 HG LEU 30 HG LEU 30 -0.078 -15.654 -46.814 137 HD11 LEU 30 1HD1 LEU 30 2.237 -14.625 -47.832 138 HD12 LEU 30 2HD1 LEU 30 0.610 -14.099 -48.265 139 HD13 LEU 30 3HD1 LEU 30 1.453 -15.275 -49.273 140 HD21 LEU 30 3HD2 LEU 30 -0.885 -17.391 -47.963 141 HD22 LEU 30 1HD2 LEU 30 0.727 -18.004 -48.334 142 HD23 LEU 30 2HD2 LEU 30 0.011 -16.742 -49.337 143 H GLN 31 H GLN 31 1.271 -18.843 -43.424 144 HA GLN 31 HA GLN 31 2.750 -19.437 -41.793 145 HB2 GLN 31 2HB GLN 31 4.014 -20.645 -44.248 146 HB3 GLN 31 3HB GLN 31 4.641 -20.925 -42.628 147 HG2 GLN 31 2HG GLN 31 3.305 -22.747 -42.845 148 HG3 GLN 31 3HG GLN 31 2.148 -21.614 -42.148 149 HE21 GLN 31 1HE2 GLN 31 0.393 -22.682 -43.038 150 HE22 GLN 31 2HE2 GLN 31 0.029 -22.618 -44.726 151 H ARG 32 H ARG 32 3.087 -16.863 -42.211 152 HA ARG 32 HA ARG 32 6.003 -16.513 -42.120 153 HB2 ARG 32 2HB ARG 32 5.748 -14.336 -43.283 154 HB3 ARG 32 3HB ARG 32 5.323 -15.711 -44.295 155 HG2 ARG 32 2HG ARG 32 3.238 -14.988 -44.577 156 HG3 ARG 32 3HG ARG 32 3.039 -14.636 -42.859 157 HD2 ARG 32 2HD ARG 32 2.851 -12.645 -44.357 158 HD3 ARG 32 3HD ARG 32 4.080 -12.504 -43.101 159 HE ARG 32 HE ARG 32 5.354 -13.495 -45.349 160 HH11 ARG 32 1HH1 ARG 32 3.615 -10.620 -44.437 161 HH12 ARG 32 2HH1 ARG 32 4.489 -9.590 -45.520 162 HH21 ARG 32 1HH2 ARG 32 6.512 -12.148 -46.780 163 HH22 ARG 32 2HH2 ARG 32 6.136 -10.460 -46.854 164 H ALA 33 H ALA 33 6.753 -15.062 -40.615 165 HA ALA 33 HA ALA 33 4.727 -13.992 -38.766 166 HB1 ALA 33 3HB ALA 33 7.006 -13.893 -37.326 167 HB2 ALA 33 1HB ALA 33 5.906 -15.272 -37.337 168 HB3 ALA 33 2HB ALA 33 7.342 -15.280 -38.362 169 H THR 34 H THR 34 4.826 -11.877 -38.086 170 HA THR 34 HA THR 34 6.793 -10.165 -39.462 171 HB THR 34 HB THR 34 4.432 -8.696 -38.726 172 HG1 THR 34 HG1 THR 34 2.872 -9.847 -39.648 173 HG21 THR 34 1HG2 THR 34 6.099 -8.034 -40.417 174 HG22 THR 34 2HG2 THR 34 4.465 -8.073 -41.079 175 HG23 THR 34 3HG2 THR 34 5.590 -9.385 -41.428 176 H CYS 35 H CYS 35 8.240 -9.754 -37.874 177 HA CYS 35 HA CYS 35 7.807 -9.573 -35.158 178 HB2 CYS 35 2HB CYS 35 10.036 -9.628 -36.286 179 HB3 CYS 35 3HB CYS 35 9.814 -7.938 -36.722 180 HG CYS 35 HG CYS 35 9.708 -8.896 -33.454 181 H LYS 36 H LYS 36 6.566 -8.275 -33.999 182 HA LYS 36 HA LYS 36 5.406 -5.902 -35.069 183 HB2 LYS 36 2HB LYS 36 5.412 -7.078 -32.288 184 HB3 LYS 36 3HB LYS 36 4.517 -5.627 -32.723 185 HG2 LYS 36 2HG LYS 36 4.095 -8.114 -34.306 186 HG3 LYS 36 3HG LYS 36 3.356 -7.970 -32.710 187 HD2 LYS 36 2HD LYS 36 1.699 -7.112 -34.068 188 HD3 LYS 36 3HD LYS 36 2.565 -5.646 -33.601 189 HE2 LYS 36 2HE LYS 36 3.802 -6.755 -35.920 190 HE3 LYS 36 3HE LYS 36 2.066 -6.643 -36.203 191 HZ1 LYS 36 3HZ LYS 36 2.159 -4.431 -36.302 192 HZ2 LYS 36 1HZ LYS 36 3.831 -4.614 -36.487 193 HZ3 LYS 36 2HZ LYS 36 3.179 -4.302 -34.959 194 H ARG 37 H ARG 37 8.237 -6.593 -33.205 195 HA ARG 37 HA ARG 37 8.702 -4.221 -31.871 196 HB2 ARG 37 2HB ARG 37 10.090 -6.432 -31.994 197 HB3 ARG 37 3HB ARG 37 10.946 -5.610 -33.293 198 HG2 ARG 37 2HG ARG 37 12.119 -4.384 -31.861 199 HG3 ARG 37 3HG ARG 37 10.673 -3.921 -30.962 200 HD2 ARG 37 2HD ARG 37 10.894 -6.460 -30.147 201 HD3 ARG 37 3HD ARG 37 12.592 -6.123 -30.485 202 HE ARG 37 HE ARG 37 11.813 -4.000 -28.992 203 HH11 ARG 37 1HH1 ARG 37 11.610 -7.448 -28.562 204 HH12 ARG 37 2HH1 ARG 37 11.706 -7.370 -26.833 205 HH21 ARG 37 1HH2 ARG 37 11.941 -3.883 -26.719 206 HH22 ARG 37 2HH2 ARG 37 11.894 -5.341 -25.786 207 H GLU 38 H GLU 38 8.703 -2.206 -32.594 208 HA GLU 38 HA GLU 38 8.686 -1.396 -35.236 209 HB2 GLU 38 2HB GLU 38 8.061 -0.014 -33.231 210 HB3 GLU 38 3HB GLU 38 9.776 0.236 -32.941 211 HG2 GLU 38 2HG GLU 38 8.856 2.141 -34.079 212 HG3 GLU 38 3HG GLU 38 9.978 1.298 -35.145 213 H GLY 39 H GLY 39 11.411 -2.020 -33.122 214 HA2 GLY 39 2HA GLY 39 13.414 -0.792 -34.692 215 HA3 GLY 39 3HA GLY 39 13.675 -2.059 -33.503 216 H CYS 40 H CYS 40 11.824 -3.887 -34.927 217 HA CYS 40 HA CYS 40 13.715 -4.731 -37.006 218 HB2 CYS 40 2HB CYS 40 12.137 -6.129 -35.001 219 HB3 CYS 40 3HB CYS 40 11.907 -6.807 -36.608 220 HG CYS 40 HG CYS 40 15.066 -6.443 -36.448 221 H GLY 41 H GLY 41 10.258 -5.433 -36.592 222 HA2 GLY 41 2HA GLY 41 8.549 -5.447 -38.133 223 HA3 GLY 41 3HA GLY 41 9.172 -3.864 -38.572 224 H PHE 42 H PHE 42 9.992 -7.298 -39.075 225 HA PHE 42 HA PHE 42 10.306 -6.705 -41.935 226 HB2 PHE 42 2HB PHE 42 12.319 -8.041 -42.067 227 HB3 PHE 42 3HB PHE 42 12.544 -6.794 -40.845 228 HD1 PHE 42 HD1 PHE 42 11.821 -7.573 -38.398 229 HD2 PHE 42 HD2 PHE 42 13.024 -10.158 -41.558 230 HE1 PHE 42 HE1 PHE 42 12.434 -9.296 -36.751 231 HE2 PHE 42 HE2 PHE 42 13.638 -11.884 -39.917 232 HZ PHE 42 HZ PHE 42 13.342 -11.455 -37.510 233 H ASP 43 H ASP 43 9.841 -8.415 -43.344 234 HA ASP 43 HA ASP 43 8.048 -10.407 -42.216 235 HB2 ASP 43 2HB ASP 43 7.202 -10.704 -44.383 236 HB3 ASP 43 3HB ASP 43 7.590 -8.987 -44.321 237 H TYR 44 H TYR 44 8.332 -12.603 -42.314 238 HA TYR 44 HA TYR 44 10.437 -13.856 -43.758 239 HB2 TYR 44 2HB TYR 44 11.750 -14.631 -41.803 240 HB3 TYR 44 3HB TYR 44 11.839 -12.887 -42.029 241 HD1 TYR 44 HD1 TYR 44 10.350 -11.417 -40.572 242 HD2 TYR 44 HD2 TYR 44 11.037 -15.537 -39.761 243 HE1 TYR 44 HE1 TYR 44 9.625 -11.074 -38.248 244 HE2 TYR 44 HE2 TYR 44 10.313 -15.206 -37.434 245 HH TYR 44 HH TYR 44 10.178 -12.411 -35.931 246 H CYS 45 H CYS 45 10.411 -16.151 -43.557 247 HA CYS 45 HA CYS 45 7.826 -17.210 -43.035 248 HB2 CYS 45 2HB CYS 45 9.873 -17.987 -44.617 249 HB3 CYS 45 3HB CYS 45 10.103 -19.089 -43.265 250 HG CYS 45 HG CYS 45 6.936 -18.932 -44.312 251 H THR 46 H THR 46 7.004 -17.950 -41.198 252 HA THR 46 HA THR 46 8.582 -18.010 -38.805 253 HB THR 46 HB THR 46 6.298 -17.258 -38.635 254 HG1 THR 46 HG1 THR 46 6.326 -19.825 -37.423 255 HG21 THR 46 1HG2 THR 46 4.692 -18.170 -39.879 256 HG22 THR 46 2HG2 THR 46 4.792 -19.638 -38.907 257 HG23 THR 46 3HG2 THR 46 5.777 -19.474 -40.360 258 H LYS 47 H LYS 47 8.179 -20.197 -41.261 259 HA LYS 47 HA LYS 47 8.029 -22.619 -39.734 260 HB2 LYS 47 2HB LYS 47 8.925 -22.237 -42.595 261 HB3 LYS 47 3HB LYS 47 8.435 -23.751 -41.847 262 HG2 LYS 47 2HG LYS 47 6.607 -21.381 -42.120 263 HG3 LYS 47 3HG LYS 47 6.727 -22.664 -43.326 264 HD2 LYS 47 2HD LYS 47 6.290 -23.474 -40.505 265 HD3 LYS 47 3HD LYS 47 4.937 -22.719 -41.353 266 HE2 LYS 47 2HE LYS 47 5.039 -24.384 -43.091 267 HE3 LYS 47 3HE LYS 47 6.496 -25.084 -42.388 268 HZ1 LYS 47 3HZ LYS 47 5.329 -26.126 -40.775 269 HZ2 LYS 47 1HZ LYS 47 4.089 -26.048 -41.924 270 HZ3 LYS 47 2HZ LYS 47 4.149 -24.918 -40.666 271 H CYS 48 H CYS 48 10.630 -21.136 -41.677 272 HA CYS 48 HA CYS 48 12.573 -22.685 -40.105 273 HB2 CYS 48 2HB CYS 48 14.152 -22.204 -41.965 274 HB3 CYS 48 3HB CYS 48 12.736 -23.112 -42.480 275 HG CYS 48 HG CYS 48 12.899 -19.725 -42.855 276 H LEU 49 H LEU 49 11.202 -19.726 -40.125 277 HA LEU 49 HA LEU 49 11.748 -17.674 -39.309 278 HB2 LEU 49 2HB LEU 49 13.884 -19.290 -37.926 279 HB3 LEU 49 3HB LEU 49 13.460 -17.629 -37.523 280 HG LEU 49 HG LEU 49 11.742 -20.082 -37.180 281 HD11 LEU 49 1HD1 LEU 49 13.585 -19.612 -35.525 282 HD12 LEU 49 2HD1 LEU 49 11.956 -19.700 -34.855 283 HD13 LEU 49 3HD1 LEU 49 12.721 -18.131 -35.110 284 HD21 LEU 49 3HD2 LEU 49 10.057 -18.592 -36.253 285 HD22 LEU 49 1HD2 LEU 49 10.394 -18.180 -37.934 286 HD23 LEU 49 2HD2 LEU 49 11.061 -17.193 -36.634 287 H CYS 50 H CYS 50 12.603 -17.904 -41.820 288 HA CYS 50 HA CYS 50 15.074 -16.349 -41.794 289 HB2 CYS 50 2HB CYS 50 14.660 -18.840 -43.457 290 HB3 CYS 50 3HB CYS 50 15.934 -17.665 -43.757 291 HG CYS 50 HG CYS 50 17.206 -18.080 -41.300 292 H ASN 51 H ASN 51 15.508 -15.858 -44.359 293 HA ASN 51 HA ASN 51 13.632 -13.972 -45.091 294 HB2 ASN 51 2HB ASN 51 15.416 -15.486 -47.009 295 HB3 ASN 51 3HB ASN 51 14.736 -13.878 -47.244 296 HD21 ASN 51 1HD2 ASN 51 17.094 -15.772 -45.522 297 HD22 ASN 51 2HD2 ASN 51 18.055 -14.444 -44.976 298 H TYR 52 H TYR 52 11.639 -14.085 -45.870 299 HA TYR 52 HA TYR 52 10.223 -16.412 -46.304 300 HB2 TYR 52 2HB TYR 52 9.262 -14.115 -45.982 301 HB3 TYR 52 3HB TYR 52 9.653 -13.774 -47.665 302 HD1 TYR 52 HD1 TYR 52 7.543 -15.812 -45.428 303 HD2 TYR 52 HD2 TYR 52 8.302 -14.622 -49.443 304 HE1 TYR 52 HE1 TYR 52 5.391 -16.784 -46.117 305 HE2 TYR 52 HE2 TYR 52 6.151 -15.590 -50.142 306 HH TYR 52 HH TYR 52 4.599 -17.567 -49.100 307 H HIS 53 H HIS 53 9.302 -17.297 -48.278 308 HA HIS 53 HA HIS 53 11.172 -18.114 -50.130 309 HB2 HIS 53 2HB HIS 53 8.182 -17.866 -50.512 310 HB3 HIS 53 3HB HIS 53 9.257 -18.812 -51.537 311 HD1 HIS 53 HD1 HIS 53 9.617 -21.177 -50.858 312 HD2 HIS 53 HD2 HIS 53 8.112 -18.868 -47.749 313 HE1 HIS 53 HE1 HIS 53 9.150 -22.790 -48.986 314 H THR 54 H THR 54 8.454 -16.055 -51.128 315 HA THR 54 HA THR 54 8.295 -14.506 -52.803 316 HB THR 54 HB THR 54 10.256 -12.782 -52.712 317 HG1 THR 54 HG1 THR 54 10.663 -13.903 -50.157 318 HG21 THR 54 1HG2 THR 54 8.569 -11.749 -51.672 319 HG22 THR 54 2HG2 THR 54 9.223 -12.376 -50.159 320 HG23 THR 54 3HG2 THR 54 7.963 -13.266 -51.011 321 H THR 55 H THR 55 9.706 -17.016 -53.456 322 HA THR 55 HA THR 55 10.679 -16.241 -56.031 323 HB THR 55 HB THR 55 12.776 -17.798 -54.656 324 HG1 THR 55 HG1 THR 55 13.663 -15.941 -53.677 325 HG21 THR 55 1HG2 THR 55 13.786 -15.543 -56.013 326 HG22 THR 55 2HG2 THR 55 12.448 -16.158 -56.984 327 HG23 THR 55 3HG2 THR 55 13.788 -17.221 -56.554 328 H LYS 56 H LYS 56 11.752 -18.316 -57.093 329 HA LYS 56 HA LYS 56 9.781 -20.255 -57.303 330 HB2 LYS 56 2HB LYS 56 12.630 -20.060 -58.129 331 HB3 LYS 56 3HB LYS 56 11.892 -21.657 -58.161 332 HG2 LYS 56 2HG LYS 56 10.322 -21.027 -59.771 333 HG3 LYS 56 3HG LYS 56 10.592 -19.306 -59.490 334 HD2 LYS 56 2HD LYS 56 12.836 -21.024 -60.463 335 HD3 LYS 56 3HD LYS 56 11.609 -20.458 -61.598 336 HE2 LYS 56 2HE LYS 56 13.103 -18.614 -59.747 337 HE3 LYS 56 3HE LYS 56 13.679 -19.018 -61.364 338 HZ1 LYS 56 3HZ LYS 56 11.169 -18.298 -61.888 339 HZ2 LYS 56 1HZ LYS 56 12.476 -17.222 -61.923 340 HZ3 LYS 56 2HZ LYS 56 11.483 -17.304 -60.555 341 H ASP 57 H ASP 57 12.377 -19.968 -55.026 342 HA ASP 57 HA ASP 57 11.299 -22.131 -53.459 343 HB2 ASP 57 2HB ASP 57 12.914 -23.178 -55.158 344 HB3 ASP 57 3HB ASP 57 14.195 -22.373 -54.256 345 H CYS 58 H CYS 58 12.233 -22.245 -51.321 346 HA CYS 58 HA CYS 58 12.918 -19.654 -50.322 347 HB2 CYS 58 2HB CYS 58 11.519 -21.076 -48.972 348 HB3 CYS 58 3HB CYS 58 12.727 -22.356 -48.982 349 HG CYS 58 HG CYS 58 14.357 -21.343 -47.154 Start of MODEL 15 1 H SER 13 H SER 13 -1.243 -15.242 -29.994 2 HA SER 13 HA SER 13 -0.150 -17.611 -31.241 3 HB2 SER 13 2HB SER 13 -2.356 -16.189 -31.794 4 HB3 SER 13 3HB SER 13 -1.235 -15.394 -32.900 5 HG SER 13 HG SER 13 -2.445 -17.362 -33.640 6 H LEU 14 H LEU 14 1.030 -14.595 -30.427 7 HA LEU 14 HA LEU 14 2.603 -13.923 -32.661 8 HB2 LEU 14 2HB LEU 14 2.742 -13.285 -29.742 9 HB3 LEU 14 3HB LEU 14 4.039 -12.782 -30.825 10 HG LEU 14 HG LEU 14 2.506 -10.954 -30.465 11 HD11 LEU 14 1HD1 LEU 14 3.550 -11.252 -32.693 12 HD12 LEU 14 2HD1 LEU 14 2.015 -10.386 -32.745 13 HD13 LEU 14 3HD1 LEU 14 2.087 -12.081 -33.227 14 HD21 LEU 14 3HD2 LEU 14 0.335 -12.642 -31.685 15 HD22 LEU 14 1HD2 LEU 14 0.189 -11.042 -30.960 16 HD23 LEU 14 2HD2 LEU 14 0.542 -12.440 -29.945 17 H LYS 15 H LYS 15 4.853 -14.189 -33.016 18 HA LYS 15 HA LYS 15 5.894 -16.702 -31.909 19 HB2 LYS 15 2HB LYS 15 6.976 -15.247 -34.314 20 HB3 LYS 15 3HB LYS 15 7.202 -16.934 -33.871 21 HG2 LYS 15 2HG LYS 15 4.658 -15.649 -34.840 22 HG3 LYS 15 3HG LYS 15 5.679 -16.787 -35.723 23 HD2 LYS 15 2HD LYS 15 4.193 -17.379 -33.163 24 HD3 LYS 15 3HD LYS 15 3.692 -17.879 -34.779 25 HE2 LYS 15 2HE LYS 15 6.121 -18.909 -34.831 26 HE3 LYS 15 3HE LYS 15 5.924 -18.875 -33.079 27 HZ1 LYS 15 3HZ LYS 15 4.475 -20.449 -35.082 28 HZ2 LYS 15 1HZ LYS 15 3.651 -19.988 -33.679 29 HZ3 LYS 15 2HZ LYS 15 5.061 -20.914 -33.565 30 H ALA 16 H ALA 16 8.511 -16.585 -32.221 31 HA ALA 16 HA ALA 16 9.364 -14.220 -30.681 32 HB1 ALA 16 3HB ALA 16 9.445 -16.070 -29.207 33 HB2 ALA 16 1HB ALA 16 10.215 -17.094 -30.419 34 HB3 ALA 16 2HB ALA 16 11.109 -15.754 -29.698 35 H CYS 17 H CYS 17 10.458 -12.940 -32.032 36 HA CYS 17 HA CYS 17 11.675 -13.607 -34.410 37 HB2 CYS 17 2HB CYS 17 11.217 -11.285 -33.416 38 HB3 CYS 17 3HB CYS 17 12.768 -11.458 -32.604 39 HG CYS 17 HG CYS 17 13.268 -12.173 -35.735 40 H ILE 18 H ILE 18 13.855 -13.926 -35.040 41 HA ILE 18 HA ILE 18 15.329 -15.592 -33.200 42 HB ILE 18 HB ILE 18 16.824 -16.044 -35.049 43 HG12 ILE 18 2HG1 ILE 18 15.261 -13.927 -36.546 44 HG13 ILE 18 3HG1 ILE 18 16.924 -13.775 -35.989 45 HG21 ILE 18 1HG2 ILE 18 15.316 -17.510 -35.750 46 HG22 ILE 18 2HG2 ILE 18 14.030 -16.520 -35.063 47 HG23 ILE 18 3HG2 ILE 18 14.545 -16.263 -36.730 48 HD11 ILE 18 3HD1 ILE 18 17.665 -14.706 -37.847 49 HD12 ILE 18 1HD1 ILE 18 16.667 -16.133 -37.577 50 HD13 ILE 18 2HD1 ILE 18 16.009 -14.749 -38.450 51 H ARG 19 H ARG 19 15.127 -12.364 -33.489 52 HA ARG 19 HA ARG 19 17.984 -11.827 -33.159 53 HB2 ARG 19 2HB ARG 19 15.667 -9.891 -33.333 54 HB3 ARG 19 3HB ARG 19 17.374 -9.467 -33.335 55 HG2 ARG 19 2HG ARG 19 17.242 -11.220 -35.415 56 HG3 ARG 19 3HG ARG 19 15.669 -10.425 -35.506 57 HD2 ARG 19 2HD ARG 19 16.912 -8.985 -36.771 58 HD3 ARG 19 3HD ARG 19 17.127 -8.256 -35.179 59 HE ARG 19 HE ARG 19 19.169 -10.139 -35.637 60 HH11 ARG 19 1HH1 ARG 19 18.109 -6.994 -36.685 61 HH12 ARG 19 2HH1 ARG 19 19.702 -6.448 -37.092 62 HH21 ARG 19 1HH2 ARG 19 21.272 -9.433 -36.169 63 HH22 ARG 19 2HH2 ARG 19 21.501 -7.836 -36.798 64 H CYS 20 H CYS 20 15.074 -10.514 -31.574 65 HA CYS 20 HA CYS 20 16.411 -10.931 -28.982 66 HB2 CYS 20 2HB CYS 20 15.172 -8.831 -28.244 67 HB3 CYS 20 3HB CYS 20 16.526 -8.594 -29.342 68 HG CYS 20 HG CYS 20 13.459 -7.571 -29.665 69 H ASN 21 H ASN 21 14.294 -12.407 -30.589 70 HA ASN 21 HA ASN 21 12.320 -13.493 -30.245 71 HB2 ASN 21 2HB ASN 21 12.814 -13.099 -27.298 72 HB3 ASN 21 3HB ASN 21 12.032 -14.457 -28.104 73 HD21 ASN 21 1HD2 ASN 21 14.592 -13.834 -26.392 74 HD22 ASN 21 2HD2 ASN 21 15.783 -14.827 -27.156 75 H SER 22 H SER 22 11.293 -11.495 -31.111 76 HA SER 22 HA SER 22 9.692 -10.111 -29.064 77 HB2 SER 22 2HB SER 22 9.932 -8.183 -30.217 78 HB3 SER 22 3HB SER 22 11.258 -9.007 -31.036 79 HG SER 22 HG SER 22 8.648 -8.505 -31.920 80 HA PRO 23 HA PRO 23 5.934 -11.788 -30.582 81 HB2 PRO 23 2HB PRO 23 4.249 -9.662 -30.476 82 HB3 PRO 23 3HB PRO 23 4.836 -10.494 -29.032 83 HG2 PRO 23 2HG PRO 23 5.803 -7.950 -30.277 84 HG3 PRO 23 3HG PRO 23 5.539 -8.328 -28.565 85 HD2 PRO 23 2HD PRO 23 7.996 -8.358 -29.700 86 HD3 PRO 23 3HD PRO 23 7.545 -9.445 -28.371 87 H ALA 24 H ALA 24 6.269 -12.334 -32.718 88 HA ALA 24 HA ALA 24 5.909 -10.251 -34.749 89 HB1 ALA 24 3HB ALA 24 6.792 -11.891 -36.333 90 HB2 ALA 24 1HB ALA 24 7.891 -11.652 -34.975 91 HB3 ALA 24 2HB ALA 24 6.875 -13.092 -35.045 92 H LYS 25 H LYS 25 4.118 -10.110 -35.946 93 HA LYS 25 HA LYS 25 1.770 -11.452 -35.322 94 HB2 LYS 25 2HB LYS 25 1.893 -9.301 -36.548 95 HB3 LYS 25 3HB LYS 25 2.477 -10.166 -37.965 96 HG2 LYS 25 2HG LYS 25 0.179 -9.785 -38.315 97 HG3 LYS 25 3HG LYS 25 0.337 -11.492 -37.896 98 HD2 LYS 25 2HD LYS 25 -0.025 -9.879 -35.532 99 HD3 LYS 25 3HD LYS 25 -1.328 -9.599 -36.689 100 HE2 LYS 25 2HE LYS 25 -1.849 -11.934 -36.763 101 HE3 LYS 25 3HE LYS 25 -0.419 -12.337 -35.813 102 HZ1 LYS 25 3HZ LYS 25 -1.429 -10.981 -33.988 103 HZ2 LYS 25 1HZ LYS 25 -2.264 -12.405 -34.361 104 HZ3 LYS 25 2HZ LYS 25 -2.853 -10.913 -34.898 105 H TYR 26 H TYR 26 1.512 -13.590 -35.437 106 HA TYR 26 HA TYR 26 2.771 -15.138 -37.538 107 HB2 TYR 26 2HB TYR 26 2.826 -16.173 -35.406 108 HB3 TYR 26 3HB TYR 26 1.116 -15.864 -35.125 109 HD1 TYR 26 HD2 TYR 26 2.922 -17.398 -38.014 110 HD2 TYR 26 HD1 TYR 26 0.041 -17.902 -34.923 111 HE1 TYR 26 HE2 TYR 26 2.380 -19.631 -38.891 112 HE2 TYR 26 HE1 TYR 26 -0.507 -20.137 -35.791 113 HH TYR 26 HH TYR 26 0.791 -21.301 -38.822 114 H ASP 27 H ASP 27 1.801 -15.974 -39.292 115 HA ASP 27 HA ASP 27 -1.118 -15.656 -39.535 116 HB2 ASP 27 2HB ASP 27 1.001 -14.560 -41.191 117 HB3 ASP 27 3HB ASP 27 -0.102 -15.561 -42.132 118 H CYS 28 H CYS 28 -1.560 -17.793 -39.038 119 HA CYS 28 HA CYS 28 -0.233 -20.043 -39.991 120 HB2 CYS 28 2HB CYS 28 -1.865 -20.149 -38.177 121 HB3 CYS 28 3HB CYS 28 -3.159 -19.731 -39.293 122 HG CYS 28 HG CYS 28 -3.576 -22.102 -40.272 123 H TYR 29 H TYR 29 -2.385 -17.894 -41.604 124 HA TYR 29 HA TYR 29 -3.527 -19.444 -43.569 125 HB2 TYR 29 2HB TYR 29 -3.183 -16.698 -43.095 126 HB3 TYR 29 3HB TYR 29 -2.558 -16.977 -44.717 127 HD1 TYR 29 HD1 TYR 29 -5.543 -17.266 -42.565 128 HD2 TYR 29 HD2 TYR 29 -4.020 -17.480 -46.532 129 HE1 TYR 29 HE1 TYR 29 -7.841 -17.280 -43.439 130 HE2 TYR 29 HE2 TYR 29 -6.314 -17.493 -47.418 131 HH TYR 29 HH TYR 29 -8.487 -17.171 -46.907 132 H LEU 30 H LEU 30 -0.354 -17.830 -43.712 133 HA LEU 30 HA LEU 30 0.423 -19.760 -45.799 134 HB2 LEU 30 2HB LEU 30 1.393 -16.922 -45.507 135 HB3 LEU 30 3HB LEU 30 1.857 -18.062 -46.767 136 HG LEU 30 HG LEU 30 -0.829 -16.748 -46.385 137 HD11 LEU 30 1HD1 LEU 30 1.511 -16.088 -47.879 138 HD12 LEU 30 2HD1 LEU 30 -0.020 -15.221 -47.770 139 HD13 LEU 30 3HD1 LEU 30 0.200 -16.473 -48.993 140 HD21 LEU 30 3HD2 LEU 30 -1.629 -18.680 -47.225 141 HD22 LEU 30 1HD2 LEU 30 -0.053 -19.195 -47.827 142 HD23 LEU 30 2HD2 LEU 30 -1.015 -18.039 -48.749 143 H GLN 31 H GLN 31 0.743 -19.513 -42.739 144 HA GLN 31 HA GLN 31 2.321 -19.941 -41.152 145 HB2 GLN 31 2HB GLN 31 3.540 -21.346 -43.531 146 HB3 GLN 31 3HB GLN 31 4.140 -21.515 -41.887 147 HG2 GLN 31 2HG GLN 31 1.406 -22.285 -42.878 148 HG3 GLN 31 3HG GLN 31 2.723 -23.381 -42.465 149 HE21 GLN 31 1HE2 GLN 31 3.641 -22.243 -40.141 150 HE22 GLN 31 2HE2 GLN 31 2.425 -22.366 -38.920 151 H ARG 32 H ARG 32 2.577 -17.408 -41.938 152 HA ARG 32 HA ARG 32 5.491 -17.023 -42.137 153 HB2 ARG 32 2HB ARG 32 5.215 -15.125 -43.506 154 HB3 ARG 32 3HB ARG 32 4.130 -16.332 -44.182 155 HG2 ARG 32 2HG ARG 32 2.366 -15.181 -42.634 156 HG3 ARG 32 3HG ARG 32 3.496 -13.828 -42.702 157 HD2 ARG 32 2HD ARG 32 2.373 -15.232 -45.121 158 HD3 ARG 32 3HD ARG 32 1.704 -13.752 -44.432 159 HE ARG 32 HE ARG 32 4.104 -14.008 -46.010 160 HH11 ARG 32 1HH1 ARG 32 2.337 -12.058 -43.731 161 HH12 ARG 32 2HH1 ARG 32 3.136 -10.585 -44.173 162 HH21 ARG 32 1HH2 ARG 32 5.164 -12.076 -46.600 163 HH22 ARG 32 2HH2 ARG 32 4.743 -10.597 -45.805 164 H ALA 33 H ALA 33 6.377 -15.289 -40.950 165 HA ALA 33 HA ALA 33 4.596 -14.100 -38.930 166 HB1 ALA 33 3HB ALA 33 6.978 -15.775 -38.527 167 HB2 ALA 33 1HB ALA 33 6.912 -14.310 -37.547 168 HB3 ALA 33 2HB ALA 33 5.598 -15.484 -37.468 169 H THR 34 H THR 34 5.029 -12.003 -38.341 170 HA THR 34 HA THR 34 7.286 -10.679 -39.693 171 HB THR 34 HB THR 34 4.990 -8.928 -39.309 172 HG1 THR 34 HG1 THR 34 4.692 -11.334 -40.748 173 HG21 THR 34 1HG2 THR 34 6.271 -9.638 -41.925 174 HG22 THR 34 2HG2 THR 34 7.149 -8.682 -40.729 175 HG23 THR 34 3HG2 THR 34 5.623 -8.089 -41.385 176 H CYS 35 H CYS 35 8.604 -9.786 -38.261 177 HA CYS 35 HA CYS 35 8.081 -9.565 -35.525 178 HB2 CYS 35 2HB CYS 35 10.351 -9.654 -36.451 179 HB3 CYS 35 3HB CYS 35 10.124 -8.069 -37.180 180 HG CYS 35 HG CYS 35 10.569 -6.615 -35.059 181 H LYS 36 H LYS 36 6.860 -8.192 -34.428 182 HA LYS 36 HA LYS 36 5.996 -5.710 -35.712 183 HB2 LYS 36 2HB LYS 36 4.978 -7.180 -33.277 184 HB3 LYS 36 3HB LYS 36 4.341 -5.635 -33.826 185 HG2 LYS 36 2HG LYS 36 4.397 -8.068 -35.583 186 HG3 LYS 36 3HG LYS 36 3.054 -7.705 -34.497 187 HD2 LYS 36 2HD LYS 36 2.305 -6.001 -35.781 188 HD3 LYS 36 3HD LYS 36 3.934 -5.487 -36.230 189 HE2 LYS 36 2HE LYS 36 3.660 -6.458 -38.208 190 HE3 LYS 36 3HE LYS 36 3.532 -8.019 -37.399 191 HZ1 LYS 36 3HZ LYS 36 1.577 -7.849 -38.609 192 HZ2 LYS 36 1HZ LYS 36 1.365 -6.208 -38.255 193 HZ3 LYS 36 2HZ LYS 36 1.100 -7.373 -37.057 194 H ARG 37 H ARG 37 8.623 -5.632 -34.922 195 HA ARG 37 HA ARG 37 8.608 -4.089 -32.420 196 HB2 ARG 37 2HB ARG 37 10.181 -6.075 -32.723 197 HB3 ARG 37 3HB ARG 37 11.045 -5.082 -33.889 198 HG2 ARG 37 2HG ARG 37 12.038 -3.866 -32.298 199 HG3 ARG 37 3HG ARG 37 10.568 -3.759 -31.327 200 HD2 ARG 37 2HD ARG 37 11.009 -6.223 -30.754 201 HD3 ARG 37 3HD ARG 37 12.631 -5.938 -31.385 202 HE ARG 37 HE ARG 37 13.124 -4.779 -29.479 203 HH11 ARG 37 1HH1 ARG 37 9.666 -5.073 -29.760 204 HH12 ARG 37 2HH1 ARG 37 9.352 -4.407 -28.192 205 HH21 ARG 37 1HH2 ARG 37 12.722 -3.900 -27.413 206 HH22 ARG 37 2HH2 ARG 37 11.091 -3.739 -26.859 207 H GLU 38 H GLU 38 10.093 -2.191 -32.364 208 HA GLU 38 HA GLU 38 9.672 -0.588 -34.762 209 HB2 GLU 38 2HB GLU 38 10.031 1.322 -33.404 210 HB3 GLU 38 3HB GLU 38 9.054 0.220 -32.444 211 HG2 GLU 38 2HG GLU 38 11.197 -0.553 -31.367 212 HG3 GLU 38 3HG GLU 38 11.984 0.806 -32.166 213 H GLY 39 H GLY 39 11.845 -2.712 -34.287 214 HA2 GLY 39 2HA GLY 39 14.030 -1.049 -35.338 215 HA3 GLY 39 3HA GLY 39 14.354 -2.134 -33.993 216 H CYS 40 H CYS 40 12.029 -3.442 -36.022 217 HA CYS 40 HA CYS 40 14.010 -4.811 -37.695 218 HB2 CYS 40 2HB CYS 40 12.384 -5.997 -35.569 219 HB3 CYS 40 3HB CYS 40 12.202 -6.815 -37.117 220 HG CYS 40 HG CYS 40 14.995 -6.510 -35.200 221 H GLY 41 H GLY 41 10.551 -5.399 -37.154 222 HA2 GLY 41 2HA GLY 41 8.804 -5.481 -38.648 223 HA3 GLY 41 3HA GLY 41 9.456 -3.953 -39.225 224 H PHE 42 H PHE 42 10.129 -7.446 -39.483 225 HA PHE 42 HA PHE 42 10.424 -7.077 -42.381 226 HB2 PHE 42 2HB PHE 42 12.375 -8.504 -42.444 227 HB3 PHE 42 3HB PHE 42 12.673 -7.186 -41.314 228 HD1 PHE 42 HD1 PHE 42 11.953 -7.763 -38.810 229 HD2 PHE 42 HD2 PHE 42 12.999 -10.608 -41.799 230 HE1 PHE 42 HE1 PHE 42 12.518 -9.393 -37.056 231 HE2 PHE 42 HE2 PHE 42 13.565 -12.242 -40.050 232 HZ PHE 42 HZ PHE 42 13.323 -11.637 -37.675 233 H ASP 43 H ASP 43 9.718 -8.768 -43.649 234 HA ASP 43 HA ASP 43 7.966 -10.665 -42.313 235 HB2 ASP 43 2HB ASP 43 6.801 -9.892 -44.118 236 HB3 ASP 43 3HB ASP 43 8.255 -9.603 -45.069 237 H TYR 44 H TYR 44 8.155 -12.878 -42.395 238 HA TYR 44 HA TYR 44 10.110 -14.230 -43.961 239 HB2 TYR 44 2HB TYR 44 11.525 -15.021 -42.088 240 HB3 TYR 44 3HB TYR 44 11.657 -13.286 -42.345 241 HD1 TYR 44 HD1 TYR 44 10.299 -11.751 -40.817 242 HD2 TYR 44 HD2 TYR 44 10.943 -15.873 -39.985 243 HE1 TYR 44 HE1 TYR 44 9.744 -11.354 -38.455 244 HE2 TYR 44 HE2 TYR 44 10.388 -15.488 -37.620 245 HH TYR 44 HH TYR 44 9.234 -13.931 -36.230 246 H CYS 45 H CYS 45 9.981 -16.506 -43.767 247 HA CYS 45 HA CYS 45 7.411 -17.462 -43.031 248 HB2 CYS 45 2HB CYS 45 9.443 -18.347 -44.678 249 HB3 CYS 45 3HB CYS 45 9.466 -19.519 -43.364 250 HG CYS 45 HG CYS 45 6.473 -19.668 -43.756 251 H THR 46 H THR 46 6.702 -18.157 -41.132 252 HA THR 46 HA THR 46 8.417 -18.227 -38.848 253 HB THR 46 HB THR 46 6.023 -17.521 -38.753 254 HG1 THR 46 HG1 THR 46 5.650 -18.625 -36.754 255 HG21 THR 46 1HG2 THR 46 4.381 -18.840 -39.481 256 HG22 THR 46 2HG2 THR 46 4.893 -20.136 -38.401 257 HG23 THR 46 3HG2 THR 46 5.598 -20.000 -40.011 258 H LYS 47 H LYS 47 7.811 -20.452 -41.253 259 HA LYS 47 HA LYS 47 7.755 -22.861 -39.731 260 HB2 LYS 47 2HB LYS 47 8.541 -22.412 -42.617 261 HB3 LYS 47 3HB LYS 47 8.206 -23.973 -41.882 262 HG2 LYS 47 2HG LYS 47 6.099 -21.899 -41.692 263 HG3 LYS 47 3HG LYS 47 6.389 -22.633 -43.271 264 HD2 LYS 47 2HD LYS 47 4.714 -23.945 -42.246 265 HD3 LYS 47 3HD LYS 47 6.206 -24.878 -42.108 266 HE2 LYS 47 2HE LYS 47 6.387 -24.497 -39.836 267 HE3 LYS 47 3HE LYS 47 5.404 -23.036 -39.898 268 HZ1 LYS 47 3HZ LYS 47 4.040 -24.616 -38.904 269 HZ2 LYS 47 1HZ LYS 47 4.513 -25.851 -39.960 270 HZ3 LYS 47 2HZ LYS 47 3.513 -24.604 -40.511 271 H CYS 48 H CYS 48 10.315 -21.573 -41.861 272 HA CYS 48 HA CYS 48 12.285 -23.024 -40.241 273 HB2 CYS 48 2HB CYS 48 13.814 -22.668 -42.164 274 HB3 CYS 48 3HB CYS 48 12.361 -23.558 -42.604 275 HG CYS 48 HG CYS 48 13.423 -21.474 -44.473 276 H LEU 49 H LEU 49 10.952 -20.056 -40.342 277 HA LEU 49 HA LEU 49 11.542 -17.989 -39.598 278 HB2 LEU 49 2HB LEU 49 13.758 -19.579 -38.315 279 HB3 LEU 49 3HB LEU 49 13.400 -17.892 -37.950 280 HG LEU 49 HG LEU 49 11.664 -20.290 -37.380 281 HD11 LEU 49 1HD1 LEU 49 12.071 -19.847 -35.104 282 HD12 LEU 49 2HD1 LEU 49 12.801 -18.281 -35.457 283 HD13 LEU 49 3HD1 LEU 49 13.645 -19.766 -35.893 284 HD21 LEU 49 3HD2 LEU 49 11.082 -17.363 -36.938 285 HD22 LEU 49 1HD2 LEU 49 10.092 -18.711 -36.377 286 HD23 LEU 49 2HD2 LEU 49 10.281 -18.416 -38.106 287 H CYS 50 H CYS 50 12.271 -18.408 -42.172 288 HA CYS 50 HA CYS 50 14.745 -16.848 -42.356 289 HB2 CYS 50 2HB CYS 50 14.116 -19.238 -44.100 290 HB3 CYS 50 3HB CYS 50 15.510 -18.179 -44.268 291 HG CYS 50 HG CYS 50 16.876 -19.044 -42.131 292 H ASN 51 H ASN 51 14.971 -16.361 -44.940 293 HA ASN 51 HA ASN 51 13.095 -14.424 -45.517 294 HB2 ASN 51 2HB ASN 51 14.819 -16.007 -47.436 295 HB3 ASN 51 3HB ASN 51 13.948 -14.536 -47.862 296 HD21 ASN 51 1HD2 ASN 51 16.541 -15.879 -45.947 297 HD22 ASN 51 2HD2 ASN 51 17.370 -14.389 -45.672 298 H TYR 52 H TYR 52 10.980 -14.666 -45.781 299 HA TYR 52 HA TYR 52 9.604 -16.995 -46.319 300 HB2 TYR 52 2HB TYR 52 8.561 -14.922 -45.470 301 HB3 TYR 52 3HB TYR 52 8.749 -14.188 -47.059 302 HD1 TYR 52 HD2 TYR 52 7.051 -16.929 -45.231 303 HD2 TYR 52 HD1 TYR 52 7.154 -14.552 -48.757 304 HE1 TYR 52 HE2 TYR 52 4.868 -17.843 -45.903 305 HE2 TYR 52 HE1 TYR 52 4.972 -15.458 -49.439 306 HH TYR 52 HH TYR 52 3.700 -17.966 -48.674 307 H HIS 53 H HIS 53 8.589 -17.843 -48.171 308 HA HIS 53 HA HIS 53 10.151 -17.928 -50.486 309 HB2 HIS 53 2HB HIS 53 7.218 -18.619 -50.212 310 HB3 HIS 53 3HB HIS 53 8.292 -19.159 -51.499 311 HD1 HIS 53 HD1 HIS 53 9.627 -21.240 -51.077 312 HD2 HIS 53 HD2 HIS 53 7.843 -19.762 -47.628 313 HE1 HIS 53 HE1 HIS 53 10.002 -22.998 -49.320 314 H THR 54 H THR 54 10.501 -16.317 -51.856 315 HA THR 54 HA THR 54 8.208 -14.785 -52.850 316 HB THR 54 HB THR 54 9.767 -12.732 -52.854 317 HG1 THR 54 HG1 THR 54 11.643 -13.041 -51.944 318 HG21 THR 54 1HG2 THR 54 9.235 -13.014 -50.054 319 HG22 THR 54 2HG2 THR 54 7.912 -13.728 -50.976 320 HG23 THR 54 3HG2 THR 54 8.375 -12.050 -51.254 321 H THR 55 H THR 55 11.706 -15.338 -53.215 322 HA THR 55 HA THR 55 11.377 -15.064 -56.126 323 HB THR 55 HB THR 55 13.030 -13.539 -55.126 324 HG1 THR 55 HG1 THR 55 14.422 -13.865 -56.749 325 HG21 THR 55 1HG2 THR 55 14.368 -14.225 -53.484 326 HG22 THR 55 2HG2 THR 55 15.170 -15.324 -54.607 327 HG23 THR 55 3HG2 THR 55 13.779 -15.875 -53.673 328 H LYS 56 H LYS 56 10.599 -17.453 -54.780 329 HA LYS 56 HA LYS 56 10.750 -19.707 -55.057 330 HB2 LYS 56 2HB LYS 56 12.954 -19.175 -57.048 331 HB3 LYS 56 3HB LYS 56 11.908 -20.586 -56.956 332 HG2 LYS 56 2HG LYS 56 10.505 -19.633 -58.372 333 HG3 LYS 56 3HG LYS 56 10.248 -18.310 -57.232 334 HD2 LYS 56 2HD LYS 56 12.587 -17.525 -58.240 335 HD3 LYS 56 3HD LYS 56 12.001 -18.453 -59.622 336 HE2 LYS 56 2HE LYS 56 10.173 -16.500 -58.304 337 HE3 LYS 56 3HE LYS 56 11.440 -15.898 -59.373 338 HZ1 LYS 56 3HZ LYS 56 10.547 -17.046 -61.185 339 HZ2 LYS 56 1HZ LYS 56 9.197 -16.391 -60.405 340 HZ3 LYS 56 2HZ LYS 56 9.569 -18.029 -60.216 341 H ASP 57 H ASP 57 12.793 -17.962 -53.453 342 HA ASP 57 HA ASP 57 14.441 -20.255 -52.657 343 HB2 ASP 57 2HB ASP 57 15.973 -18.996 -53.959 344 HB3 ASP 57 3HB ASP 57 15.410 -17.470 -53.282 345 H CYS 58 H CYS 58 13.912 -20.693 -50.628 346 HA CYS 58 HA CYS 58 12.999 -18.548 -48.869 347 HB2 CYS 58 2HB CYS 58 11.789 -20.802 -49.165 348 HB3 CYS 58 3HB CYS 58 13.078 -21.476 -48.175 349 HG CYS 58 HG CYS 58 12.106 -18.934 -46.498 Start of MODEL 16 1 H SER 13 H SER 13 -0.408 -14.881 -28.684 2 HA SER 13 HA SER 13 -0.378 -17.075 -30.619 3 HB2 SER 13 2HB SER 13 -2.515 -16.056 -30.493 4 HB3 SER 13 3HB SER 13 -1.829 -14.432 -30.517 5 HG SER 13 HG SER 13 -2.770 -15.559 -32.553 6 H LEU 14 H LEU 14 1.424 -14.358 -29.785 7 HA LEU 14 HA LEU 14 2.349 -13.779 -32.476 8 HB2 LEU 14 2HB LEU 14 2.930 -12.647 -29.763 9 HB3 LEU 14 3HB LEU 14 3.942 -12.246 -31.150 10 HG LEU 14 HG LEU 14 2.345 -10.485 -30.791 11 HD11 LEU 14 1HD1 LEU 14 2.921 -11.119 -33.114 12 HD12 LEU 14 2HD1 LEU 14 1.326 -10.382 -32.966 13 HD13 LEU 14 3HD1 LEU 14 1.475 -12.128 -33.163 14 HD21 LEU 14 3HD2 LEU 14 0.691 -12.248 -29.728 15 HD22 LEU 14 1HD2 LEU 14 0.025 -12.255 -31.361 16 HD23 LEU 14 2HD2 LEU 14 0.102 -10.748 -30.448 17 H LYS 15 H LYS 15 4.341 -14.273 -33.301 18 HA LYS 15 HA LYS 15 5.719 -16.492 -32.059 19 HB2 LYS 15 2HB LYS 15 6.020 -15.064 -34.693 20 HB3 LYS 15 3HB LYS 15 7.162 -16.294 -34.168 21 HG2 LYS 15 2HG LYS 15 4.389 -17.153 -33.959 22 HG3 LYS 15 3HG LYS 15 4.868 -16.730 -35.604 23 HD2 LYS 15 2HD LYS 15 5.329 -19.046 -35.315 24 HD3 LYS 15 3HD LYS 15 6.879 -18.203 -35.290 25 HE2 LYS 15 2HE LYS 15 7.315 -18.891 -33.214 26 HE3 LYS 15 3HE LYS 15 5.718 -18.408 -32.644 27 HZ1 LYS 15 3HZ LYS 15 6.454 -20.905 -32.649 28 HZ2 LYS 15 1HZ LYS 15 5.937 -20.841 -34.259 29 HZ3 LYS 15 2HZ LYS 15 4.860 -20.471 -33.010 30 H ALA 16 H ALA 16 8.142 -16.491 -32.004 31 HA ALA 16 HA ALA 16 9.088 -13.924 -30.919 32 HB1 ALA 16 3HB ALA 16 9.968 -16.742 -30.322 33 HB2 ALA 16 1HB ALA 16 10.770 -15.299 -29.702 34 HB3 ALA 16 2HB ALA 16 9.100 -15.643 -29.252 35 H CYS 17 H CYS 17 10.322 -12.829 -32.292 36 HA CYS 17 HA CYS 17 11.451 -13.738 -34.634 37 HB2 CYS 17 2HB CYS 17 11.181 -11.332 -33.835 38 HB3 CYS 17 3HB CYS 17 12.689 -11.557 -32.959 39 HG CYS 17 HG CYS 17 12.195 -11.410 -36.320 40 H ILE 18 H ILE 18 13.632 -14.190 -35.254 41 HA ILE 18 HA ILE 18 14.977 -15.893 -33.352 42 HB ILE 18 HB ILE 18 16.484 -16.456 -35.189 43 HG12 ILE 18 2HG1 ILE 18 14.931 -14.392 -36.765 44 HG13 ILE 18 3HG1 ILE 18 16.599 -14.228 -36.232 45 HG21 ILE 18 1HG2 ILE 18 13.615 -16.409 -36.113 46 HG22 ILE 18 2HG2 ILE 18 14.877 -17.519 -36.645 47 HG23 ILE 18 3HG2 ILE 18 14.293 -17.578 -34.981 48 HD11 ILE 18 3HD1 ILE 18 17.287 -15.208 -38.084 49 HD12 ILE 18 1HD1 ILE 18 16.369 -16.656 -37.676 50 HD13 ILE 18 2HD1 ILE 18 15.615 -15.370 -38.618 51 H ARG 19 H ARG 19 14.996 -12.670 -33.745 52 HA ARG 19 HA ARG 19 17.880 -12.319 -33.395 53 HB2 ARG 19 2HB ARG 19 15.699 -10.246 -33.699 54 HB3 ARG 19 3HB ARG 19 17.428 -9.924 -33.655 55 HG2 ARG 19 2HG ARG 19 17.437 -11.611 -35.685 56 HG3 ARG 19 3HG ARG 19 15.763 -11.074 -35.825 57 HD2 ARG 19 2HD ARG 19 16.819 -9.528 -37.150 58 HD3 ARG 19 3HD ARG 19 16.832 -8.694 -35.597 59 HE ARG 19 HE ARG 19 19.182 -10.029 -35.597 60 HH11 ARG 19 1HH1 ARG 19 17.655 -7.877 -37.869 61 HH12 ARG 19 2HH1 ARG 19 19.151 -7.255 -38.483 62 HH21 ARG 19 1HH2 ARG 19 21.158 -9.218 -36.398 63 HH22 ARG 19 2HH2 ARG 19 21.142 -8.019 -37.647 64 H CYS 20 H CYS 20 15.019 -10.802 -31.902 65 HA CYS 20 HA CYS 20 16.292 -11.196 -29.277 66 HB2 CYS 20 2HB CYS 20 15.256 -8.989 -28.617 67 HB3 CYS 20 3HB CYS 20 16.580 -8.881 -29.771 68 HG CYS 20 HG CYS 20 14.268 -7.091 -30.185 69 H ASN 21 H ASN 21 14.124 -12.607 -30.838 70 HA ASN 21 HA ASN 21 12.075 -13.541 -30.493 71 HB2 ASN 21 2HB ASN 21 12.658 -12.991 -27.576 72 HB3 ASN 21 3HB ASN 21 11.596 -14.234 -28.229 73 HD21 ASN 21 1HD2 ASN 21 12.489 -16.063 -29.186 74 HD22 ASN 21 2HD2 ASN 21 14.140 -16.509 -28.941 75 H SER 22 H SER 22 11.524 -11.232 -31.433 76 HA SER 22 HA SER 22 9.921 -9.667 -29.564 77 HB2 SER 22 2HB SER 22 10.730 -8.007 -30.842 78 HB3 SER 22 3HB SER 22 11.301 -9.142 -32.065 79 HG SER 22 HG SER 22 9.181 -7.519 -32.153 80 HA PRO 23 HA PRO 23 5.996 -11.199 -30.781 81 HB2 PRO 23 2HB PRO 23 4.484 -8.946 -30.871 82 HB3 PRO 23 3HB PRO 23 5.057 -9.659 -29.358 83 HG2 PRO 23 2HG PRO 23 6.173 -7.353 -30.906 84 HG3 PRO 23 3HG PRO 23 5.940 -7.517 -29.156 85 HD2 PRO 23 2HD PRO 23 8.348 -7.870 -30.346 86 HD3 PRO 23 3HD PRO 23 7.860 -8.766 -28.892 87 H ALA 24 H ALA 24 6.129 -12.011 -32.838 88 HA ALA 24 HA ALA 24 5.809 -10.125 -35.073 89 HB1 ALA 24 3HB ALA 24 7.135 -11.429 -36.325 90 HB2 ALA 24 1HB ALA 24 7.647 -12.110 -34.781 91 HB3 ALA 24 2HB ALA 24 6.400 -12.918 -35.730 92 H LYS 25 H LYS 25 4.008 -10.130 -36.275 93 HA LYS 25 HA LYS 25 1.677 -11.422 -35.426 94 HB2 LYS 25 2HB LYS 25 2.275 -9.422 -37.215 95 HB3 LYS 25 3HB LYS 25 1.715 -10.713 -38.270 96 HG2 LYS 25 2HG LYS 25 0.145 -9.846 -35.866 97 HG3 LYS 25 3HG LYS 25 -0.007 -9.036 -37.428 98 HD2 LYS 25 2HD LYS 25 -1.507 -10.589 -37.980 99 HD3 LYS 25 3HD LYS 25 -0.182 -11.755 -38.013 100 HE2 LYS 25 2HE LYS 25 -1.846 -12.661 -36.591 101 HE3 LYS 25 3HE LYS 25 -0.555 -12.074 -35.542 102 HZ1 LYS 25 3HZ LYS 25 -1.963 -10.706 -34.542 103 HZ2 LYS 25 1HZ LYS 25 -3.229 -11.430 -35.400 104 HZ3 LYS 25 2HZ LYS 25 -2.480 -10.042 -36.010 105 H TYR 26 H TYR 26 1.644 -13.600 -35.318 106 HA TYR 26 HA TYR 26 2.784 -15.256 -37.373 107 HB2 TYR 26 2HB TYR 26 2.868 -16.083 -35.124 108 HB3 TYR 26 3HB TYR 26 1.131 -15.883 -34.923 109 HD1 TYR 26 HD1 TYR 26 2.966 -17.393 -37.786 110 HD2 TYR 26 HD2 TYR 26 0.381 -18.051 -34.472 111 HE1 TYR 26 HE1 TYR 26 2.620 -19.713 -38.524 112 HE2 TYR 26 HE2 TYR 26 0.029 -20.373 -35.200 113 HH TYR 26 HH TYR 26 1.920 -21.824 -37.696 114 H ASP 27 H ASP 27 1.805 -16.138 -39.085 115 HA ASP 27 HA ASP 27 -1.131 -15.966 -39.255 116 HB2 ASP 27 2HB ASP 27 0.884 -14.797 -40.996 117 HB3 ASP 27 3HB ASP 27 -0.209 -15.857 -41.881 118 H CYS 28 H CYS 28 -1.509 -18.098 -38.766 119 HA CYS 28 HA CYS 28 -0.073 -20.303 -39.684 120 HB2 CYS 28 2HB CYS 28 -2.023 -21.636 -39.071 121 HB3 CYS 28 3HB CYS 28 -1.723 -20.402 -37.854 122 HG CYS 28 HG CYS 28 -4.274 -19.964 -37.818 123 H TYR 29 H TYR 29 -2.312 -18.271 -41.321 124 HA TYR 29 HA TYR 29 -3.401 -19.903 -43.254 125 HB2 TYR 29 2HB TYR 29 -3.157 -17.130 -42.826 126 HB3 TYR 29 3HB TYR 29 -2.564 -17.422 -44.458 127 HD1 TYR 29 HD2 TYR 29 -5.480 -17.784 -42.223 128 HD2 TYR 29 HD1 TYR 29 -4.051 -18.012 -46.224 129 HE1 TYR 29 HE2 TYR 29 -7.797 -17.907 -43.037 130 HE2 TYR 29 HE1 TYR 29 -6.364 -18.133 -47.050 131 HH TYR 29 HH TYR 29 -8.757 -17.257 -45.953 132 H LEU 30 H LEU 30 -0.280 -18.200 -43.386 133 HA LEU 30 HA LEU 30 0.550 -20.084 -45.492 134 HB2 LEU 30 2HB LEU 30 1.495 -17.243 -45.165 135 HB3 LEU 30 3HB LEU 30 1.922 -18.357 -46.462 136 HG LEU 30 HG LEU 30 -0.751 -17.050 -45.978 137 HD11 LEU 30 1HD1 LEU 30 -0.184 -16.385 -48.445 138 HD12 LEU 30 2HD1 LEU 30 1.473 -16.688 -47.926 139 HD13 LEU 30 3HD1 LEU 30 0.496 -15.481 -47.091 140 HD21 LEU 30 3HD2 LEU 30 -1.679 -18.812 -46.968 141 HD22 LEU 30 1HD2 LEU 30 -0.105 -19.531 -47.312 142 HD23 LEU 30 2HD2 LEU 30 -0.802 -18.359 -48.431 143 H GLN 31 H GLN 31 0.860 -19.773 -42.406 144 HA GLN 31 HA GLN 31 2.440 -20.199 -40.821 145 HB2 GLN 31 2HB GLN 31 3.640 -21.607 -43.204 146 HB3 GLN 31 3HB GLN 31 4.311 -21.727 -41.583 147 HG2 GLN 31 2HG GLN 31 3.012 -23.588 -41.602 148 HG3 GLN 31 3HG GLN 31 1.848 -22.421 -40.978 149 HE21 GLN 31 1HE2 GLN 31 0.032 -23.412 -41.722 150 HE22 GLN 31 2HE2 GLN 31 -0.350 -23.579 -43.399 151 H ARG 32 H ARG 32 2.650 -17.660 -41.686 152 HA ARG 32 HA ARG 32 5.562 -17.231 -41.823 153 HB2 ARG 32 2HB ARG 32 5.301 -15.399 -43.269 154 HB3 ARG 32 3HB ARG 32 4.215 -16.622 -43.915 155 HG2 ARG 32 2HG ARG 32 2.439 -15.414 -42.429 156 HG3 ARG 32 3HG ARG 32 3.579 -14.070 -42.518 157 HD2 ARG 32 2HD ARG 32 2.476 -15.532 -44.913 158 HD3 ARG 32 3HD ARG 32 1.815 -14.028 -44.276 159 HE ARG 32 HE ARG 32 4.234 -14.355 -45.813 160 HH11 ARG 32 1HH1 ARG 32 2.453 -12.319 -43.620 161 HH12 ARG 32 2HH1 ARG 32 3.274 -10.868 -44.095 162 HH21 ARG 32 1HH2 ARG 32 5.320 -12.452 -46.446 163 HH22 ARG 32 2HH2 ARG 32 4.903 -10.945 -45.703 164 H ALA 33 H ALA 33 6.297 -15.202 -40.853 165 HA ALA 33 HA ALA 33 4.476 -14.102 -38.831 166 HB1 ALA 33 3HB ALA 33 7.007 -14.209 -37.617 167 HB2 ALA 33 1HB ALA 33 5.555 -15.108 -37.175 168 HB3 ALA 33 2HB ALA 33 6.717 -15.807 -38.303 169 H THR 34 H THR 34 4.642 -11.948 -38.547 170 HA THR 34 HA THR 34 6.802 -10.564 -39.996 171 HB THR 34 HB THR 34 4.549 -8.861 -39.347 172 HG1 THR 34 HG1 THR 34 3.100 -10.415 -39.681 173 HG21 THR 34 1HG2 THR 34 5.690 -9.722 -42.007 174 HG22 THR 34 2HG2 THR 34 6.319 -8.403 -41.021 175 HG23 THR 34 3HG2 THR 34 4.694 -8.302 -41.696 176 H CYS 35 H CYS 35 8.310 -9.966 -38.569 177 HA CYS 35 HA CYS 35 7.944 -9.556 -35.835 178 HB2 CYS 35 2HB CYS 35 10.135 -9.932 -36.996 179 HB3 CYS 35 3HB CYS 35 10.069 -8.265 -37.554 180 HG CYS 35 HG CYS 35 9.704 -8.568 -34.247 181 H LYS 36 H LYS 36 6.634 -8.104 -34.948 182 HA LYS 36 HA LYS 36 5.758 -5.738 -36.200 183 HB2 LYS 36 2HB LYS 36 5.697 -6.626 -33.316 184 HB3 LYS 36 3HB LYS 36 4.946 -5.138 -33.878 185 HG2 LYS 36 2HG LYS 36 4.268 -7.808 -35.066 186 HG3 LYS 36 3HG LYS 36 3.455 -7.180 -33.630 187 HD2 LYS 36 2HD LYS 36 2.158 -5.863 -34.871 188 HD3 LYS 36 3HD LYS 36 3.561 -5.168 -35.686 189 HE2 LYS 36 2HE LYS 36 3.574 -7.325 -37.074 190 HE3 LYS 36 3HE LYS 36 1.946 -7.581 -36.449 191 HZ1 LYS 36 3HZ LYS 36 1.300 -5.439 -37.376 192 HZ2 LYS 36 1HZ LYS 36 1.893 -6.466 -38.583 193 HZ3 LYS 36 2HZ LYS 36 2.859 -5.212 -37.990 194 H ARG 37 H ARG 37 8.543 -6.463 -34.278 195 HA ARG 37 HA ARG 37 9.220 -4.000 -33.225 196 HB2 ARG 37 2HB ARG 37 10.418 -6.420 -33.284 197 HB3 ARG 37 3HB ARG 37 11.442 -5.548 -34.418 198 HG2 ARG 37 2HG ARG 37 10.874 -4.801 -31.558 199 HG3 ARG 37 3HG ARG 37 12.390 -5.419 -32.217 200 HD2 ARG 37 2HD ARG 37 12.590 -3.418 -33.617 201 HD3 ARG 37 3HD ARG 37 11.078 -2.803 -32.948 202 HE ARG 37 HE ARG 37 12.202 -2.187 -31.043 203 HH11 ARG 37 1HH1 ARG 37 14.218 -4.281 -32.960 204 HH12 ARG 37 2HH1 ARG 37 15.636 -4.006 -32.003 205 HH21 ARG 37 1HH2 ARG 37 14.062 -1.817 -29.776 206 HH22 ARG 37 2HH2 ARG 37 15.546 -2.606 -30.192 207 H GLU 38 H GLU 38 9.438 -2.089 -34.166 208 HA GLU 38 HA GLU 38 9.440 -1.573 -36.875 209 HB2 GLU 38 2HB GLU 38 10.577 0.063 -34.605 210 HB3 GLU 38 3HB GLU 38 10.413 0.669 -36.247 211 HG2 GLU 38 2HG GLU 38 7.929 -0.023 -35.984 212 HG3 GLU 38 3HG GLU 38 8.290 0.005 -34.259 213 H GLY 39 H GLY 39 12.247 -1.805 -34.702 214 HA2 GLY 39 2HA GLY 39 14.267 -1.166 -36.479 215 HA3 GLY 39 3HA GLY 39 14.448 -2.295 -35.144 216 H CYS 40 H CYS 40 12.414 -4.121 -36.259 217 HA CYS 40 HA CYS 40 14.148 -5.393 -38.251 218 HB2 CYS 40 2HB CYS 40 12.454 -6.362 -36.081 219 HB3 CYS 40 3HB CYS 40 12.173 -7.223 -37.590 220 HG CYS 40 HG CYS 40 15.145 -7.523 -37.786 221 H GLY 41 H GLY 41 10.654 -5.728 -37.729 222 HA2 GLY 41 2HA GLY 41 8.922 -5.766 -39.243 223 HA3 GLY 41 3HA GLY 41 9.665 -4.298 -39.861 224 H PHE 42 H PHE 42 10.217 -7.821 -39.982 225 HA PHE 42 HA PHE 42 10.507 -7.579 -42.894 226 HB2 PHE 42 2HB PHE 42 12.414 -9.065 -42.903 227 HB3 PHE 42 3HB PHE 42 12.755 -7.714 -41.827 228 HD1 PHE 42 HD2 PHE 42 12.024 -8.170 -39.300 229 HD2 PHE 42 HD1 PHE 42 12.974 -11.161 -42.176 230 HE1 PHE 42 HE2 PHE 42 12.543 -9.746 -37.484 231 HE2 PHE 42 HE1 PHE 42 13.493 -12.743 -40.364 232 HZ PHE 42 HZ PHE 42 13.279 -12.037 -38.015 233 H ASP 43 H ASP 43 9.873 -9.386 -44.095 234 HA ASP 43 HA ASP 43 7.975 -11.105 -42.718 235 HB2 ASP 43 2HB ASP 43 7.035 -11.554 -44.813 236 HB3 ASP 43 3HB ASP 43 7.576 -9.884 -44.964 237 H TYR 44 H TYR 44 8.116 -13.302 -42.542 238 HA TYR 44 HA TYR 44 10.105 -14.847 -43.893 239 HB2 TYR 44 2HB TYR 44 11.341 -15.537 -41.845 240 HB3 TYR 44 3HB TYR 44 11.587 -13.845 -42.266 241 HD1 TYR 44 HD1 TYR 44 10.277 -12.086 -40.987 242 HD2 TYR 44 HD2 TYR 44 10.513 -16.145 -39.731 243 HE1 TYR 44 HE1 TYR 44 9.587 -11.419 -38.723 244 HE2 TYR 44 HE2 TYR 44 9.823 -15.489 -37.463 245 HH TYR 44 HH TYR 44 8.798 -13.766 -36.277 246 H CYS 45 H CYS 45 9.942 -17.113 -43.432 247 HA CYS 45 HA CYS 45 7.264 -17.878 -42.689 248 HB2 CYS 45 2HB CYS 45 9.203 -18.902 -44.408 249 HB3 CYS 45 3HB CYS 45 9.102 -20.089 -43.114 250 HG CYS 45 HG CYS 45 6.711 -19.172 -45.346 251 H THR 46 H THR 46 6.638 -19.123 -40.958 252 HA THR 46 HA THR 46 8.400 -19.040 -38.659 253 HB THR 46 HB THR 46 6.110 -18.398 -38.275 254 HG1 THR 46 HG1 THR 46 6.166 -20.959 -37.117 255 HG21 THR 46 1HG2 THR 46 4.449 -19.346 -39.416 256 HG22 THR 46 2HG2 THR 46 4.684 -20.829 -38.491 257 HG23 THR 46 3HG2 THR 46 5.540 -20.594 -40.015 258 H LYS 47 H LYS 47 7.869 -21.188 -41.133 259 HA LYS 47 HA LYS 47 8.100 -23.619 -39.575 260 HB2 LYS 47 2HB LYS 47 8.336 -23.335 -42.570 261 HB3 LYS 47 3HB LYS 47 7.942 -24.786 -41.656 262 HG2 LYS 47 2HG LYS 47 6.202 -22.332 -41.749 263 HG3 LYS 47 3HG LYS 47 6.007 -23.732 -42.806 264 HD2 LYS 47 2HD LYS 47 6.152 -24.276 -39.902 265 HD3 LYS 47 3HD LYS 47 4.701 -23.453 -40.480 266 HE2 LYS 47 2HE LYS 47 4.116 -25.230 -41.884 267 HE3 LYS 47 3HE LYS 47 5.736 -25.924 -41.831 268 HZ1 LYS 47 3HZ LYS 47 5.390 -26.760 -39.706 269 HZ2 LYS 47 1HZ LYS 47 3.907 -27.040 -40.473 270 HZ3 LYS 47 2HZ LYS 47 4.073 -25.744 -39.398 271 H CYS 48 H CYS 48 10.135 -21.587 -41.607 272 HA CYS 48 HA CYS 48 12.449 -23.240 -40.835 273 HB2 CYS 48 2HB CYS 48 12.295 -21.440 -43.253 274 HB3 CYS 48 3HB CYS 48 13.536 -22.629 -42.880 275 HG CYS 48 HG CYS 48 10.820 -24.332 -42.926 276 H LEU 49 H LEU 49 10.923 -20.338 -40.323 277 HA LEU 49 HA LEU 49 11.510 -18.372 -39.342 278 HB2 LEU 49 2HB LEU 49 13.691 -20.209 -38.429 279 HB3 LEU 49 3HB LEU 49 13.707 -18.504 -37.984 280 HG LEU 49 HG LEU 49 11.551 -20.499 -37.291 281 HD11 LEU 49 1HD1 LEU 49 12.905 -19.204 -35.098 282 HD12 LEU 49 2HD1 LEU 49 14.038 -20.092 -36.116 283 HD13 LEU 49 3HD1 LEU 49 12.651 -20.921 -35.409 284 HD21 LEU 49 3HD2 LEU 49 10.555 -18.344 -37.579 285 HD22 LEU 49 1HD2 LEU 49 11.847 -17.566 -36.667 286 HD23 LEU 49 2HD2 LEU 49 10.716 -18.643 -35.849 287 H CYS 50 H CYS 50 12.394 -18.949 -42.092 288 HA CYS 50 HA CYS 50 14.641 -17.049 -42.221 289 HB2 CYS 50 2HB CYS 50 14.746 -19.643 -43.070 290 HB3 CYS 50 3HB CYS 50 14.262 -18.817 -44.546 291 HG CYS 50 HG CYS 50 16.619 -16.972 -43.480 292 H ASN 51 H ASN 51 14.749 -16.015 -44.495 293 HA ASN 51 HA ASN 51 12.585 -14.354 -44.858 294 HB2 ASN 51 2HB ASN 51 14.549 -15.227 -46.989 295 HB3 ASN 51 3HB ASN 51 13.553 -13.775 -47.034 296 HD21 ASN 51 1HD2 ASN 51 16.372 -15.271 -45.748 297 HD22 ASN 51 2HD2 ASN 51 17.012 -13.878 -44.952 298 H TYR 52 H TYR 52 10.671 -14.459 -45.873 299 HA TYR 52 HA TYR 52 9.453 -16.847 -46.522 300 HB2 TYR 52 2HB TYR 52 8.459 -14.463 -46.179 301 HB3 TYR 52 3HB TYR 52 8.655 -14.313 -47.921 302 HD1 TYR 52 HD2 TYR 52 7.180 -16.606 -45.370 303 HD2 TYR 52 HD1 TYR 52 6.938 -15.015 -49.309 304 HE1 TYR 52 HE2 TYR 52 5.044 -17.777 -45.704 305 HE2 TYR 52 HE1 TYR 52 4.800 -16.181 -49.654 306 HH TYR 52 HH TYR 52 3.327 -17.618 -48.807 307 H HIS 53 H HIS 53 8.492 -17.377 -48.731 308 HA HIS 53 HA HIS 53 10.651 -17.849 -50.541 309 HB2 HIS 53 2HB HIS 53 7.701 -18.316 -51.002 310 HB3 HIS 53 3HB HIS 53 9.037 -19.064 -51.872 311 HD1 HIS 53 HD1 HIS 53 9.647 -21.319 -51.072 312 HD2 HIS 53 HD2 HIS 53 7.788 -19.082 -48.106 313 HE1 HIS 53 HE1 HIS 53 9.417 -22.870 -49.105 314 H THR 54 H THR 54 8.700 -15.205 -50.047 315 HA THR 54 HA THR 54 8.068 -14.338 -52.636 316 HB THR 54 HB THR 54 8.291 -11.983 -51.515 317 HG1 THR 54 HG1 THR 54 8.689 -11.984 -49.412 318 HG21 THR 54 1HG2 THR 54 6.182 -12.808 -50.020 319 HG22 THR 54 2HG2 THR 54 6.307 -14.132 -51.179 320 HG23 THR 54 3HG2 THR 54 6.101 -12.476 -51.749 321 H THR 55 H THR 55 10.695 -13.051 -50.594 322 HA THR 55 HA THR 55 12.043 -11.641 -52.535 323 HB THR 55 HB THR 55 12.684 -11.393 -50.235 324 HG1 THR 55 HG1 THR 55 14.651 -10.983 -50.880 325 HG21 THR 55 1HG2 THR 55 12.239 -13.787 -49.616 326 HG22 THR 55 2HG2 THR 55 13.710 -13.106 -48.921 327 HG23 THR 55 3HG2 THR 55 13.809 -14.190 -50.308 328 H LYS 56 H LYS 56 12.413 -15.057 -51.672 329 HA LYS 56 HA LYS 56 13.077 -15.899 -54.246 330 HB2 LYS 56 2HB LYS 56 15.282 -14.738 -52.805 331 HB3 LYS 56 3HB LYS 56 15.587 -16.448 -53.080 332 HG2 LYS 56 2HG LYS 56 14.884 -14.432 -55.206 333 HG3 LYS 56 3HG LYS 56 16.501 -15.053 -54.864 334 HD2 LYS 56 2HD LYS 56 16.015 -17.152 -55.703 335 HD3 LYS 56 3HD LYS 56 14.277 -16.960 -55.457 336 HE2 LYS 56 2HE LYS 56 14.134 -15.428 -57.304 337 HE3 LYS 56 3HE LYS 56 15.888 -15.417 -57.487 338 HZ1 LYS 56 3HZ LYS 56 14.147 -17.049 -58.805 339 HZ2 LYS 56 1HZ LYS 56 14.792 -18.057 -57.608 340 HZ3 LYS 56 2HZ LYS 56 15.822 -17.267 -58.694 341 H ASP 57 H ASP 57 14.573 -18.094 -53.920 342 HA ASP 57 HA ASP 57 12.901 -19.969 -52.802 343 HB2 ASP 57 2HB ASP 57 15.018 -21.428 -52.688 344 HB3 ASP 57 3HB ASP 57 14.553 -20.785 -54.261 345 H CYS 58 H CYS 58 12.218 -20.135 -50.777 346 HA CYS 58 HA CYS 58 13.285 -18.938 -48.538 347 HB2 CYS 58 2HB CYS 58 11.014 -19.984 -48.727 348 HB3 CYS 58 3HB CYS 58 11.778 -21.559 -48.540 349 HG CYS 58 HG CYS 58 12.425 -19.282 -46.134 Start of MODEL 17 1 H SER 13 H SER 13 -0.951 -14.779 -29.168 2 HA SER 13 HA SER 13 -0.394 -17.029 -30.921 3 HB2 SER 13 2HB SER 13 -1.809 -14.399 -31.414 4 HB3 SER 13 3HB SER 13 -1.629 -15.676 -32.618 5 HG SER 13 HG SER 13 -3.139 -16.795 -31.658 6 H LEU 14 H LEU 14 1.182 -14.246 -29.922 7 HA LEU 14 HA LEU 14 2.536 -13.687 -32.416 8 HB2 LEU 14 2HB LEU 14 2.866 -12.635 -29.616 9 HB3 LEU 14 3HB LEU 14 3.893 -12.137 -30.958 10 HG LEU 14 HG LEU 14 2.261 -10.443 -30.648 11 HD11 LEU 14 1HD1 LEU 14 1.117 -10.428 -32.781 12 HD12 LEU 14 2HD1 LEU 14 1.377 -12.162 -32.961 13 HD13 LEU 14 3HD1 LEU 14 2.753 -11.059 -32.976 14 HD21 LEU 14 3HD2 LEU 14 -0.051 -12.247 -31.104 15 HD22 LEU 14 1HD2 LEU 14 0.051 -10.744 -30.187 16 HD23 LEU 14 2HD2 LEU 14 0.687 -12.241 -29.502 17 H LYS 15 H LYS 15 4.495 -14.396 -33.037 18 HA LYS 15 HA LYS 15 5.716 -16.524 -31.502 19 HB2 LYS 15 2HB LYS 15 6.769 -15.388 -34.082 20 HB3 LYS 15 3HB LYS 15 6.982 -17.010 -33.435 21 HG2 LYS 15 2HG LYS 15 4.408 -15.844 -34.477 22 HG3 LYS 15 3HG LYS 15 5.440 -17.009 -35.309 23 HD2 LYS 15 2HD LYS 15 4.454 -17.671 -32.577 24 HD3 LYS 15 3HD LYS 15 3.327 -17.784 -33.931 25 HE2 LYS 15 2HE LYS 15 4.272 -19.930 -33.719 26 HE3 LYS 15 3HE LYS 15 5.093 -19.189 -35.092 27 HZ1 LYS 15 3HZ LYS 15 7.047 -19.223 -34.036 28 HZ2 LYS 15 1HZ LYS 15 6.331 -20.369 -33.018 29 HZ3 LYS 15 2HZ LYS 15 6.388 -18.744 -32.554 30 H ALA 16 H ALA 16 8.319 -16.434 -31.837 31 HA ALA 16 HA ALA 16 9.170 -13.877 -30.642 32 HB1 ALA 16 3HB ALA 16 10.958 -15.292 -29.514 33 HB2 ALA 16 1HB ALA 16 9.307 -15.464 -28.917 34 HB3 ALA 16 2HB ALA 16 9.991 -16.690 -29.985 35 H CYS 17 H CYS 17 10.345 -12.766 -32.057 36 HA CYS 17 HA CYS 17 11.465 -13.635 -34.401 37 HB2 CYS 17 2HB CYS 17 11.215 -11.239 -33.495 38 HB3 CYS 17 3HB CYS 17 12.783 -11.496 -32.742 39 HG CYS 17 HG CYS 17 13.806 -12.265 -35.434 40 H ILE 18 H ILE 18 13.573 -14.187 -35.074 41 HA ILE 18 HA ILE 18 14.987 -15.835 -33.171 42 HB ILE 18 HB ILE 18 16.373 -16.523 -35.049 43 HG12 ILE 18 2HG1 ILE 18 14.820 -14.477 -36.651 44 HG13 ILE 18 3HG1 ILE 18 16.510 -14.334 -36.179 45 HG21 ILE 18 1HG2 ILE 18 14.161 -17.562 -34.708 46 HG22 ILE 18 2HG2 ILE 18 13.468 -16.410 -35.848 47 HG23 ILE 18 3HG2 ILE 18 14.668 -17.581 -36.396 48 HD11 ILE 18 3HD1 ILE 18 15.346 -15.672 -38.434 49 HD12 ILE 18 1HD1 ILE 18 17.037 -15.303 -38.093 50 HD13 ILE 18 2HD1 ILE 18 16.317 -16.791 -37.478 51 H ARG 19 H ARG 19 15.014 -12.651 -33.584 52 HA ARG 19 HA ARG 19 17.923 -12.320 -33.463 53 HB2 ARG 19 2HB ARG 19 15.745 -10.233 -33.682 54 HB3 ARG 19 3HB ARG 19 17.475 -9.926 -33.749 55 HG2 ARG 19 2HG ARG 19 17.283 -11.715 -35.726 56 HG3 ARG 19 3HG ARG 19 15.660 -11.025 -35.799 57 HD2 ARG 19 2HD ARG 19 16.735 -9.571 -37.183 58 HD3 ARG 19 3HD ARG 19 17.022 -8.758 -35.644 59 HE ARG 19 HE ARG 19 19.131 -10.526 -36.072 60 HH11 ARG 19 1HH1 ARG 19 17.796 -7.646 -37.502 61 HH12 ARG 19 2HH1 ARG 19 19.316 -7.089 -38.118 62 HH21 ARG 19 1HH2 ARG 19 21.139 -9.803 -36.877 63 HH22 ARG 19 2HH2 ARG 19 21.217 -8.318 -37.763 64 H CYS 20 H CYS 20 15.031 -11.132 -31.743 65 HA CYS 20 HA CYS 20 16.526 -11.334 -29.231 66 HB2 CYS 20 2HB CYS 20 15.456 -9.131 -28.539 67 HB3 CYS 20 3HB CYS 20 16.767 -9.027 -29.708 68 HG CYS 20 HG CYS 20 13.952 -7.602 -29.936 69 H ASN 21 H ASN 21 14.343 -12.855 -30.578 70 HA ASN 21 HA ASN 21 12.374 -13.872 -30.061 71 HB2 ASN 21 2HB ASN 21 13.018 -12.984 -27.242 72 HB3 ASN 21 3HB ASN 21 11.944 -14.299 -27.707 73 HD21 ASN 21 1HD2 ASN 21 12.764 -16.270 -27.948 74 HD22 ASN 21 2HD2 ASN 21 14.448 -16.657 -27.928 75 H SER 22 H SER 22 12.278 -11.093 -30.839 76 HA SER 22 HA SER 22 10.410 -9.680 -29.226 77 HB2 SER 22 2HB SER 22 11.194 -8.054 -30.558 78 HB3 SER 22 3HB SER 22 11.858 -9.232 -31.689 79 HG SER 22 HG SER 22 9.634 -7.718 -31.910 80 HA PRO 23 HA PRO 23 6.527 -11.308 -30.454 81 HB2 PRO 23 2HB PRO 23 4.992 -9.078 -30.656 82 HB3 PRO 23 3HB PRO 23 5.544 -9.728 -29.107 83 HG2 PRO 23 2HG PRO 23 6.663 -7.468 -30.721 84 HG3 PRO 23 3HG PRO 23 6.399 -7.569 -28.971 85 HD2 PRO 23 2HD PRO 23 8.832 -7.938 -30.100 86 HD3 PRO 23 3HD PRO 23 8.327 -8.783 -28.623 87 H ALA 24 H ALA 24 5.979 -12.135 -32.362 88 HA ALA 24 HA ALA 24 5.969 -10.364 -34.719 89 HB1 ALA 24 3HB ALA 24 7.314 -11.726 -35.856 90 HB2 ALA 24 1HB ALA 24 7.657 -12.524 -34.321 91 HB3 ALA 24 2HB ALA 24 6.393 -13.153 -35.380 92 H LYS 25 H LYS 25 4.262 -10.535 -36.111 93 HA LYS 25 HA LYS 25 1.879 -11.767 -35.094 94 HB2 LYS 25 2HB LYS 25 1.744 -9.618 -36.219 95 HB3 LYS 25 3HB LYS 25 2.429 -10.306 -37.684 96 HG2 LYS 25 2HG LYS 25 0.005 -9.993 -37.842 97 HG3 LYS 25 3HG LYS 25 0.471 -11.689 -37.996 98 HD2 LYS 25 2HD LYS 25 -1.483 -11.476 -36.569 99 HD3 LYS 25 3HD LYS 25 -0.100 -12.043 -35.630 100 HE2 LYS 25 2HE LYS 25 -1.441 -10.298 -34.479 101 HE3 LYS 25 3HE LYS 25 0.248 -9.852 -34.715 102 HZ1 LYS 25 3HZ LYS 25 -1.742 -9.039 -36.718 103 HZ2 LYS 25 1HZ LYS 25 -0.289 -8.290 -36.282 104 HZ3 LYS 25 2HZ LYS 25 -1.636 -8.173 -35.267 105 H TYR 26 H TYR 26 1.516 -13.872 -35.298 106 HA TYR 26 HA TYR 26 2.717 -15.396 -37.446 107 HB2 TYR 26 2HB TYR 26 2.760 -16.533 -35.390 108 HB3 TYR 26 3HB TYR 26 1.094 -16.106 -35.015 109 HD1 TYR 26 HD2 TYR 26 2.642 -17.692 -38.023 110 HD2 TYR 26 HD1 TYR 26 -0.131 -18.056 -34.817 111 HE1 TYR 26 HE2 TYR 26 1.890 -19.852 -38.927 112 HE2 TYR 26 HE1 TYR 26 -0.891 -20.218 -35.712 113 HH TYR 26 HH TYR 26 0.117 -22.050 -37.200 114 H ASP 27 H ASP 27 1.748 -16.040 -39.262 115 HA ASP 27 HA ASP 27 -1.165 -15.645 -39.491 116 HB2 ASP 27 2HB ASP 27 0.984 -14.571 -41.077 117 HB3 ASP 27 3HB ASP 27 -0.037 -15.600 -42.078 118 H CYS 28 H CYS 28 -1.723 -17.759 -39.019 119 HA CYS 28 HA CYS 28 -0.510 -20.069 -39.966 120 HB2 CYS 28 2HB CYS 28 -2.725 -21.162 -39.555 121 HB3 CYS 28 3HB CYS 28 -2.141 -20.198 -38.204 122 HG CYS 28 HG CYS 28 -5.019 -20.042 -39.669 123 H TYR 29 H TYR 29 -2.542 -17.810 -41.599 124 HA TYR 29 HA TYR 29 -3.694 -19.297 -43.608 125 HB2 TYR 29 2HB TYR 29 -3.265 -16.567 -43.091 126 HB3 TYR 29 3HB TYR 29 -2.627 -16.850 -44.707 127 HD1 TYR 29 HD1 TYR 29 -5.646 -17.007 -42.600 128 HD2 TYR 29 HD2 TYR 29 -4.083 -17.336 -46.544 129 HE1 TYR 29 HE1 TYR 29 -7.932 -16.931 -43.505 130 HE2 TYR 29 HE2 TYR 29 -6.365 -17.261 -47.460 131 HH TYR 29 HH TYR 29 -9.084 -17.761 -45.665 132 H LEU 30 H LEU 30 -0.446 -17.843 -43.606 133 HA LEU 30 HA LEU 30 0.292 -19.727 -45.748 134 HB2 LEU 30 2HB LEU 30 1.403 -16.960 -45.310 135 HB3 LEU 30 3HB LEU 30 1.848 -18.074 -46.601 136 HG LEU 30 HG LEU 30 -0.759 -16.607 -46.253 137 HD11 LEU 30 1HD1 LEU 30 -0.013 -15.198 -47.810 138 HD12 LEU 30 2HD1 LEU 30 0.619 -16.505 -48.811 139 HD13 LEU 30 3HD1 LEU 30 1.588 -15.864 -47.485 140 HD21 LEU 30 3HD2 LEU 30 -1.743 -18.348 -47.237 141 HD22 LEU 30 1HD2 LEU 30 -0.199 -19.124 -47.590 142 HD23 LEU 30 2HD2 LEU 30 -0.841 -17.902 -48.687 143 H GLN 31 H GLN 31 0.527 -19.591 -42.665 144 HA GLN 31 HA GLN 31 2.035 -20.144 -41.045 145 HB2 GLN 31 2HB GLN 31 3.229 -21.597 -43.410 146 HB3 GLN 31 3HB GLN 31 3.729 -21.851 -41.744 147 HG2 GLN 31 2HG GLN 31 2.249 -23.556 -41.968 148 HG3 GLN 31 3HG GLN 31 1.162 -22.294 -41.391 149 HE21 GLN 31 1HE2 GLN 31 -0.691 -22.930 -42.342 150 HE22 GLN 31 2HE2 GLN 31 -0.926 -23.035 -44.050 151 H ARG 32 H ARG 32 2.494 -17.622 -41.836 152 HA ARG 32 HA ARG 32 5.435 -17.457 -41.907 153 HB2 ARG 32 2HB ARG 32 5.207 -15.323 -43.135 154 HB3 ARG 32 3HB ARG 32 4.572 -16.691 -44.039 155 HG2 ARG 32 2HG ARG 32 2.462 -15.909 -44.003 156 HG3 ARG 32 3HG ARG 32 2.620 -15.252 -42.373 157 HD2 ARG 32 2HD ARG 32 2.319 -13.528 -44.149 158 HD3 ARG 32 3HD ARG 32 3.786 -13.331 -43.189 159 HE ARG 32 HE ARG 32 4.518 -14.819 -45.388 160 HH11 ARG 32 1HH1 ARG 32 3.136 -11.678 -44.802 161 HH12 ARG 32 2HH1 ARG 32 3.830 -10.964 -46.219 162 HH21 ARG 32 1HH2 ARG 32 5.438 -13.890 -47.257 163 HH22 ARG 32 2HH2 ARG 32 5.138 -12.223 -47.616 164 H ALA 33 H ALA 33 6.337 -15.548 -40.863 165 HA ALA 33 HA ALA 33 4.568 -14.357 -38.836 166 HB1 ALA 33 3HB ALA 33 5.602 -15.735 -37.377 167 HB2 ALA 33 1HB ALA 33 7.005 -15.965 -38.419 168 HB3 ALA 33 2HB ALA 33 6.862 -14.502 -37.444 169 H THR 34 H THR 34 4.989 -12.243 -38.295 170 HA THR 34 HA THR 34 7.185 -10.924 -39.753 171 HB THR 34 HB THR 34 4.830 -9.249 -39.199 172 HG1 THR 34 HG1 THR 34 4.656 -11.163 -41.295 173 HG21 THR 34 1HG2 THR 34 5.388 -8.255 -41.244 174 HG22 THR 34 2HG2 THR 34 6.198 -9.706 -41.834 175 HG23 THR 34 3HG2 THR 34 6.945 -8.730 -40.570 176 H CYS 35 H CYS 35 8.550 -9.859 -38.485 177 HA CYS 35 HA CYS 35 8.161 -9.657 -35.685 178 HB2 CYS 35 2HB CYS 35 10.384 -9.867 -36.800 179 HB3 CYS 35 3HB CYS 35 10.207 -8.217 -37.384 180 HG CYS 35 HG CYS 35 10.336 -9.099 -34.079 181 H LYS 36 H LYS 36 6.732 -8.321 -34.797 182 HA LYS 36 HA LYS 36 5.665 -6.026 -35.996 183 HB2 LYS 36 2HB LYS 36 5.655 -7.181 -33.251 184 HB3 LYS 36 3HB LYS 36 5.158 -5.503 -33.430 185 HG2 LYS 36 2HG LYS 36 3.259 -7.048 -33.474 186 HG3 LYS 36 3HG LYS 36 3.420 -6.146 -34.983 187 HD2 LYS 36 2HD LYS 36 4.860 -8.702 -34.936 188 HD3 LYS 36 3HD LYS 36 3.105 -8.849 -34.803 189 HE2 LYS 36 2HE LYS 36 4.607 -7.361 -36.957 190 HE3 LYS 36 3HE LYS 36 3.831 -8.934 -37.134 191 HZ1 LYS 36 3HZ LYS 36 1.789 -7.503 -36.247 192 HZ2 LYS 36 1HZ LYS 36 2.153 -7.657 -37.892 193 HZ3 LYS 36 2HZ LYS 36 2.646 -6.279 -37.041 194 H ARG 37 H ARG 37 8.538 -6.508 -34.103 195 HA ARG 37 HA ARG 37 9.056 -3.986 -33.118 196 HB2 ARG 37 2HB ARG 37 10.419 -6.196 -32.942 197 HB3 ARG 37 3HB ARG 37 11.246 -5.605 -34.377 198 HG2 ARG 37 2HG ARG 37 11.774 -3.516 -33.113 199 HG3 ARG 37 3HG ARG 37 11.120 -4.298 -31.673 200 HD2 ARG 37 2HD ARG 37 12.773 -6.201 -32.242 201 HD3 ARG 37 3HD ARG 37 13.563 -4.997 -33.259 202 HE ARG 37 HE ARG 37 13.095 -4.110 -30.566 203 HH11 ARG 37 1HH1 ARG 37 15.266 -5.817 -32.686 204 HH12 ARG 37 2HH1 ARG 37 16.660 -5.537 -31.696 205 HH21 ARG 37 1HH2 ARG 37 14.924 -3.735 -29.254 206 HH22 ARG 37 2HH2 ARG 37 16.465 -4.354 -29.745 207 H GLU 38 H GLU 38 9.115 -2.079 -34.089 208 HA GLU 38 HA GLU 38 9.021 -1.615 -36.810 209 HB2 GLU 38 2HB GLU 38 10.132 0.194 -34.657 210 HB3 GLU 38 3HB GLU 38 9.695 0.709 -36.279 211 HG2 GLU 38 2HG GLU 38 7.736 -0.571 -34.399 212 HG3 GLU 38 3HG GLU 38 8.013 1.170 -34.459 213 H GLY 39 H GLY 39 11.858 -1.666 -34.678 214 HA2 GLY 39 2HA GLY 39 13.798 -0.857 -36.495 215 HA3 GLY 39 3HA GLY 39 14.088 -1.944 -35.145 216 H CYS 40 H CYS 40 12.168 -3.929 -36.227 217 HA CYS 40 HA CYS 40 13.982 -5.099 -38.212 218 HB2 CYS 40 2HB CYS 40 12.388 -6.164 -36.010 219 HB3 CYS 40 3HB CYS 40 12.171 -7.070 -37.503 220 HG CYS 40 HG CYS 40 15.266 -6.404 -36.217 221 H GLY 41 H GLY 41 10.525 -5.664 -37.633 222 HA2 GLY 41 2HA GLY 41 8.783 -5.867 -39.125 223 HA3 GLY 41 3HA GLY 41 9.410 -4.362 -39.778 224 H PHE 42 H PHE 42 10.165 -7.847 -39.854 225 HA PHE 42 HA PHE 42 10.467 -7.614 -42.768 226 HB2 PHE 42 2HB PHE 42 12.417 -9.046 -42.740 227 HB3 PHE 42 3HB PHE 42 12.704 -7.674 -41.676 228 HD1 PHE 42 HD1 PHE 42 11.973 -8.117 -39.153 229 HD2 PHE 42 HD2 PHE 42 13.018 -11.121 -41.982 230 HE1 PHE 42 HE1 PHE 42 12.518 -9.656 -37.312 231 HE2 PHE 42 HE2 PHE 42 13.563 -12.664 -40.145 232 HZ PHE 42 HZ PHE 42 13.313 -11.933 -37.807 233 H ASP 43 H ASP 43 9.866 -9.421 -43.967 234 HA ASP 43 HA ASP 43 8.014 -11.196 -42.608 235 HB2 ASP 43 2HB ASP 43 7.109 -11.670 -44.705 236 HB3 ASP 43 3HB ASP 43 7.637 -10.000 -44.880 237 H TYR 44 H TYR 44 8.194 -13.400 -42.454 238 HA TYR 44 HA TYR 44 10.249 -14.896 -43.746 239 HB2 TYR 44 2HB TYR 44 11.487 -15.531 -41.688 240 HB3 TYR 44 3HB TYR 44 11.679 -13.832 -42.106 241 HD1 TYR 44 HD2 TYR 44 10.387 -12.106 -40.817 242 HD2 TYR 44 HD1 TYR 44 10.565 -16.181 -39.609 243 HE1 TYR 44 HE2 TYR 44 9.652 -11.464 -38.560 244 HE2 TYR 44 HE1 TYR 44 9.830 -15.551 -37.348 245 HH TYR 44 HH TYR 44 9.743 -12.314 -36.281 246 H CYS 45 H CYS 45 10.246 -17.178 -43.070 247 HA CYS 45 HA CYS 45 7.623 -18.164 -42.795 248 HB2 CYS 45 2HB CYS 45 10.282 -19.566 -42.469 249 HB3 CYS 45 3HB CYS 45 8.729 -20.388 -42.554 250 HG CYS 45 HG CYS 45 10.375 -18.734 -45.036 251 H THR 46 H THR 46 6.585 -19.203 -41.096 252 HA THR 46 HA THR 46 7.392 -18.297 -38.461 253 HB THR 46 HB THR 46 5.011 -18.161 -39.258 254 HG1 THR 46 HG1 THR 46 4.280 -19.305 -37.162 255 HG21 THR 46 1HG2 THR 46 5.291 -20.667 -40.140 256 HG22 THR 46 2HG2 THR 46 3.727 -20.000 -39.671 257 HG23 THR 46 3HG2 THR 46 4.626 -21.016 -38.544 258 H LYS 47 H LYS 47 7.400 -21.208 -40.330 259 HA LYS 47 HA LYS 47 7.957 -22.846 -37.969 260 HB2 LYS 47 2HB LYS 47 7.692 -23.771 -40.830 261 HB3 LYS 47 3HB LYS 47 7.631 -24.759 -39.377 262 HG2 LYS 47 2HG LYS 47 5.606 -22.651 -40.095 263 HG3 LYS 47 3HG LYS 47 5.420 -24.378 -40.410 264 HD2 LYS 47 2HD LYS 47 6.102 -24.259 -37.729 265 HD3 LYS 47 3HD LYS 47 5.025 -22.879 -37.952 266 HE2 LYS 47 2HE LYS 47 3.437 -24.466 -39.110 267 HE3 LYS 47 3HE LYS 47 4.470 -25.779 -38.546 268 HZ1 LYS 47 3HZ LYS 47 2.546 -25.316 -37.086 269 HZ2 LYS 47 1HZ LYS 47 3.191 -23.787 -36.755 270 HZ3 LYS 47 2HZ LYS 47 4.034 -25.179 -36.292 271 H CYS 48 H CYS 48 9.370 -22.058 -41.135 272 HA CYS 48 HA CYS 48 11.846 -23.381 -40.524 273 HB2 CYS 48 2HB CYS 48 10.849 -23.077 -42.845 274 HB3 CYS 48 3HB CYS 48 11.362 -21.398 -42.748 275 HG CYS 48 HG CYS 48 13.619 -23.913 -42.323 276 H LEU 49 H LEU 49 10.533 -20.229 -40.067 277 HA LEU 49 HA LEU 49 11.359 -18.304 -39.181 278 HB2 LEU 49 2HB LEU 49 13.329 -20.278 -38.051 279 HB3 LEU 49 3HB LEU 49 13.286 -18.578 -37.592 280 HG LEU 49 HG LEU 49 10.954 -20.448 -37.226 281 HD11 LEU 49 1HD1 LEU 49 12.431 -19.637 -34.844 282 HD12 LEU 49 2HD1 LEU 49 13.343 -20.699 -35.916 283 HD13 LEU 49 3HD1 LEU 49 11.773 -21.211 -35.293 284 HD21 LEU 49 3HD2 LEU 49 10.075 -18.335 -37.093 285 HD22 LEU 49 1HD2 LEU 49 11.575 -17.628 -36.492 286 HD23 LEU 49 2HD2 LEU 49 10.560 -18.589 -35.416 287 H CYS 50 H CYS 50 12.017 -18.584 -41.789 288 HA CYS 50 HA CYS 50 14.578 -17.195 -41.900 289 HB2 CYS 50 2HB CYS 50 14.228 -19.904 -42.774 290 HB3 CYS 50 3HB CYS 50 14.540 -18.884 -44.174 291 HG CYS 50 HG CYS 50 16.824 -17.733 -42.609 292 H ASN 51 H ASN 51 14.945 -16.530 -44.342 293 HA ASN 51 HA ASN 51 13.034 -14.663 -45.014 294 HB2 ASN 51 2HB ASN 51 14.808 -16.019 -47.046 295 HB3 ASN 51 3HB ASN 51 14.191 -14.369 -47.083 296 HD21 ASN 51 1HD2 ASN 51 16.651 -16.460 -45.974 297 HD22 ASN 51 2HD2 ASN 51 17.604 -15.275 -45.152 298 H TYR 52 H TYR 52 10.980 -14.953 -45.550 299 HA TYR 52 HA TYR 52 9.773 -17.319 -46.307 300 HB2 TYR 52 2HB TYR 52 8.673 -15.151 -45.530 301 HB3 TYR 52 3HB TYR 52 8.786 -14.612 -47.203 302 HD1 TYR 52 HD2 TYR 52 7.370 -17.288 -45.047 303 HD2 TYR 52 HD1 TYR 52 7.159 -15.239 -48.771 304 HE1 TYR 52 HE2 TYR 52 5.257 -18.440 -45.555 305 HE2 TYR 52 HE1 TYR 52 5.044 -16.384 -49.288 306 HH TYR 52 HH TYR 52 3.957 -19.071 -47.630 307 H HIS 53 H HIS 53 9.350 -18.347 -48.197 308 HA HIS 53 HA HIS 53 11.015 -17.783 -50.436 309 HB2 HIS 53 2HB HIS 53 8.666 -19.680 -50.313 310 HB3 HIS 53 3HB HIS 53 9.998 -19.721 -51.463 311 HD1 HIS 53 HD1 HIS 53 11.907 -21.192 -50.864 312 HD2 HIS 53 HD2 HIS 53 9.569 -20.245 -47.562 313 HE1 HIS 53 HE1 HIS 53 12.837 -22.557 -48.968 314 H THR 54 H THR 54 10.454 -15.701 -51.134 315 HA THR 54 HA THR 54 7.745 -15.333 -52.189 316 HB THR 54 HB THR 54 8.814 -12.935 -52.621 317 HG1 THR 54 HG1 THR 54 10.163 -12.690 -50.534 318 HG21 THR 54 1HG2 THR 54 7.353 -12.338 -51.038 319 HG22 THR 54 2HG2 THR 54 8.287 -13.147 -49.779 320 HG23 THR 54 3HG2 THR 54 7.113 -14.057 -50.729 321 H THR 55 H THR 55 10.882 -14.092 -53.306 322 HA THR 55 HA THR 55 10.308 -15.221 -55.964 323 HB THR 55 HB THR 55 11.415 -12.459 -55.421 324 HG1 THR 55 HG1 THR 55 9.353 -11.991 -55.385 325 HG21 THR 55 1HG2 THR 55 10.941 -13.988 -57.976 326 HG22 THR 55 2HG2 THR 55 12.449 -13.279 -57.397 327 HG23 THR 55 3HG2 THR 55 11.130 -12.235 -57.925 328 H LYS 56 H LYS 56 12.728 -14.053 -53.684 329 HA LYS 56 HA LYS 56 14.966 -14.889 -55.264 330 HB2 LYS 56 2HB LYS 56 14.823 -14.224 -52.318 331 HB3 LYS 56 3HB LYS 56 16.295 -14.376 -53.267 332 HG2 LYS 56 2HG LYS 56 16.059 -12.343 -54.214 333 HG3 LYS 56 3HG LYS 56 14.297 -12.450 -54.268 334 HD2 LYS 56 2HD LYS 56 15.734 -12.150 -51.654 335 HD3 LYS 56 3HD LYS 56 15.407 -10.743 -52.669 336 HE2 LYS 56 2HE LYS 56 13.169 -12.616 -52.108 337 HE3 LYS 56 3HE LYS 56 13.708 -11.559 -50.805 338 HZ1 LYS 56 3HZ LYS 56 13.537 -9.811 -52.786 339 HZ2 LYS 56 1HZ LYS 56 12.238 -10.166 -51.763 340 HZ3 LYS 56 2HZ LYS 56 12.340 -10.897 -53.285 341 H ASP 57 H ASP 57 12.684 -16.590 -53.566 342 HA ASP 57 HA ASP 57 12.500 -18.764 -52.925 343 HB2 ASP 57 2HB ASP 57 13.717 -19.100 -55.124 344 HB3 ASP 57 3HB ASP 57 15.205 -19.212 -54.190 345 H CYS 58 H CYS 58 13.147 -17.258 -50.894 346 HA CYS 58 HA CYS 58 14.030 -17.258 -48.799 347 HB2 CYS 58 2HB CYS 58 13.473 -19.749 -49.079 348 HB3 CYS 58 3HB CYS 58 15.193 -19.977 -49.378 349 HG CYS 58 HG CYS 58 15.439 -20.557 -46.866 Start of MODEL 18 1 H SER 13 H SER 13 -0.610 -15.321 -28.766 2 HA SER 13 HA SER 13 -0.553 -16.974 -31.097 3 HB2 SER 13 2HB SER 13 -1.442 -14.369 -31.784 4 HB3 SER 13 3HB SER 13 -2.420 -15.810 -31.506 5 HG SER 13 HG SER 13 -2.621 -13.731 -30.120 6 H LEU 14 H LEU 14 1.531 -14.627 -29.836 7 HA LEU 14 HA LEU 14 2.598 -13.822 -32.423 8 HB2 LEU 14 2HB LEU 14 3.098 -13.019 -29.587 9 HB3 LEU 14 3HB LEU 14 4.277 -12.623 -30.836 10 HG LEU 14 HG LEU 14 2.817 -10.734 -30.396 11 HD11 LEU 14 1HD1 LEU 14 3.669 -11.144 -32.686 12 HD12 LEU 14 2HD1 LEU 14 2.147 -10.254 -32.653 13 HD13 LEU 14 3HD1 LEU 14 2.157 -11.969 -33.065 14 HD21 LEU 14 3HD2 LEU 14 0.443 -12.096 -31.528 15 HD22 LEU 14 1HD2 LEU 14 0.551 -10.803 -30.332 16 HD23 LEU 14 2HD2 LEU 14 0.868 -12.472 -29.858 17 H LYS 15 H LYS 15 4.905 -14.014 -32.877 18 HA LYS 15 HA LYS 15 5.959 -16.574 -31.891 19 HB2 LYS 15 2HB LYS 15 6.824 -15.072 -34.363 20 HB3 LYS 15 3HB LYS 15 7.205 -16.736 -33.936 21 HG2 LYS 15 2HG LYS 15 4.502 -15.644 -34.687 22 HG3 LYS 15 3HG LYS 15 5.528 -16.705 -35.657 23 HD2 LYS 15 2HD LYS 15 4.311 -17.399 -32.983 24 HD3 LYS 15 3HD LYS 15 3.716 -17.941 -34.553 25 HE2 LYS 15 2HE LYS 15 6.365 -18.647 -34.640 26 HE3 LYS 15 3HE LYS 15 5.954 -18.918 -32.947 27 HZ1 LYS 15 3HZ LYS 15 4.920 -20.247 -35.347 28 HZ2 LYS 15 1HZ LYS 15 3.894 -20.095 -34.010 29 HZ3 LYS 15 2HZ LYS 15 5.367 -20.911 -33.857 30 H ALA 16 H ALA 16 8.551 -16.498 -32.364 31 HA ALA 16 HA ALA 16 9.549 -14.151 -30.882 32 HB1 ALA 16 3HB ALA 16 11.280 -15.707 -29.940 33 HB2 ALA 16 1HB ALA 16 9.628 -16.005 -29.395 34 HB3 ALA 16 2HB ALA 16 10.352 -17.042 -30.625 35 H CYS 17 H CYS 17 10.570 -12.931 -32.348 36 HA CYS 17 HA CYS 17 11.676 -13.709 -34.751 37 HB2 CYS 17 2HB CYS 17 11.264 -11.345 -33.876 38 HB3 CYS 17 3HB CYS 17 12.824 -11.482 -33.072 39 HG CYS 17 HG CYS 17 12.193 -11.387 -36.422 40 H ILE 18 H ILE 18 13.860 -13.994 -35.453 41 HA ILE 18 HA ILE 18 15.385 -15.640 -33.640 42 HB ILE 18 HB ILE 18 16.885 -16.015 -35.546 43 HG12 ILE 18 2HG1 ILE 18 15.070 -14.072 -36.992 44 HG13 ILE 18 3HG1 ILE 18 16.751 -13.784 -36.556 45 HG21 ILE 18 1HG2 ILE 18 14.857 -17.373 -35.277 46 HG22 ILE 18 2HG2 ILE 18 13.975 -16.241 -36.301 47 HG23 ILE 18 3HG2 ILE 18 15.305 -17.185 -36.972 48 HD11 ILE 18 3HD1 ILE 18 15.799 -15.929 -38.438 49 HD12 ILE 18 1HD1 ILE 18 16.460 -14.367 -38.922 50 HD13 ILE 18 2HD1 ILE 18 17.473 -15.526 -38.060 51 H ARG 19 H ARG 19 15.176 -12.400 -34.009 52 HA ARG 19 HA ARG 19 18.036 -11.874 -33.675 53 HB2 ARG 19 2HB ARG 19 15.757 -9.905 -33.927 54 HB3 ARG 19 3HB ARG 19 17.474 -9.530 -33.980 55 HG2 ARG 19 2HG ARG 19 17.386 -11.278 -35.985 56 HG3 ARG 19 3HG ARG 19 15.719 -10.700 -36.052 57 HD2 ARG 19 2HD ARG 19 16.693 -9.156 -37.412 58 HD3 ARG 19 3HD ARG 19 16.921 -8.347 -35.862 59 HE ARG 19 HE ARG 19 19.119 -10.042 -36.505 60 HH11 ARG 19 1HH1 ARG 19 17.696 -6.934 -37.171 61 HH12 ARG 19 2HH1 ARG 19 19.202 -6.193 -37.604 62 HH21 ARG 19 1HH2 ARG 19 21.106 -9.077 -37.072 63 HH22 ARG 19 2HH2 ARG 19 21.140 -7.412 -37.548 64 H CYS 20 H CYS 20 14.985 -10.867 -32.118 65 HA CYS 20 HA CYS 20 16.312 -11.098 -29.517 66 HB2 CYS 20 2HB CYS 20 15.255 -8.948 -28.803 67 HB3 CYS 20 3HB CYS 20 16.501 -8.754 -30.030 68 HG CYS 20 HG CYS 20 14.745 -6.958 -30.910 69 H ASN 21 H ASN 21 14.376 -12.761 -30.904 70 HA ASN 21 HA ASN 21 12.290 -13.694 -30.670 71 HB2 ASN 21 2HB ASN 21 11.809 -14.324 -28.306 72 HB3 ASN 21 3HB ASN 21 13.462 -14.682 -28.800 73 HD21 ASN 21 1HD2 ASN 21 15.155 -13.486 -27.948 74 HD22 ASN 21 2HD2 ASN 21 14.967 -12.493 -26.548 75 H SER 22 H SER 22 11.692 -11.309 -31.477 76 HA SER 22 HA SER 22 10.048 -9.902 -29.534 77 HB2 SER 22 2HB SER 22 11.111 -9.318 -32.250 78 HB3 SER 22 3HB SER 22 9.589 -8.545 -31.805 79 HG SER 22 HG SER 22 10.584 -7.427 -30.257 80 HA PRO 23 HA PRO 23 6.152 -11.552 -30.690 81 HB2 PRO 23 2HB PRO 23 4.551 -9.360 -30.658 82 HB3 PRO 23 3HB PRO 23 5.196 -10.100 -29.188 83 HG2 PRO 23 2HG PRO 23 6.174 -7.700 -30.686 84 HG3 PRO 23 3HG PRO 23 6.000 -7.933 -28.937 85 HD2 PRO 23 2HD PRO 23 8.383 -8.148 -30.206 86 HD3 PRO 23 3HD PRO 23 7.975 -9.110 -28.771 87 H ALA 24 H ALA 24 6.319 -12.278 -32.789 88 HA ALA 24 HA ALA 24 5.882 -10.340 -34.951 89 HB1 ALA 24 3HB ALA 24 7.240 -11.574 -36.218 90 HB2 ALA 24 1HB ALA 24 7.677 -12.422 -34.733 91 HB3 ALA 24 2HB ALA 24 6.418 -13.072 -35.783 92 H LYS 25 H LYS 25 4.017 -10.265 -36.031 93 HA LYS 25 HA LYS 25 1.729 -11.622 -35.174 94 HB2 LYS 25 2HB LYS 25 2.110 -9.465 -36.695 95 HB3 LYS 25 3HB LYS 25 1.843 -10.635 -37.980 96 HG2 LYS 25 2HG LYS 25 -0.051 -10.181 -35.686 97 HG3 LYS 25 3HG LYS 25 -0.199 -9.419 -37.271 98 HD2 LYS 25 2HD LYS 25 -1.384 -11.197 -37.901 99 HD3 LYS 25 3HD LYS 25 0.113 -12.128 -37.821 100 HE2 LYS 25 2HE LYS 25 -1.679 -13.190 -36.537 101 HE3 LYS 25 3HE LYS 25 -0.345 -12.693 -35.498 102 HZ1 LYS 25 3HZ LYS 25 -3.031 -12.017 -35.259 103 HZ2 LYS 25 1HZ LYS 25 -2.213 -10.597 -35.679 104 HZ3 LYS 25 2HZ LYS 25 -1.738 -11.473 -34.313 105 H TYR 26 H TYR 26 1.563 -13.777 -35.241 106 HA TYR 26 HA TYR 26 2.713 -15.345 -37.354 107 HB2 TYR 26 2HB TYR 26 2.694 -16.332 -35.181 108 HB3 TYR 26 3HB TYR 26 0.969 -16.040 -34.991 109 HD1 TYR 26 HD2 TYR 26 2.785 -17.496 -37.897 110 HD2 TYR 26 HD1 TYR 26 0.055 -18.168 -34.702 111 HE1 TYR 26 HE2 TYR 26 2.311 -19.741 -38.781 112 HE2 TYR 26 HE1 TYR 26 -0.424 -20.416 -35.577 113 HH TYR 26 HH TYR 26 0.402 -22.052 -37.001 114 H ASP 27 H ASP 27 1.785 -15.999 -39.183 115 HA ASP 27 HA ASP 27 -1.138 -15.729 -39.440 116 HB2 ASP 27 2HB ASP 27 0.985 -14.533 -41.015 117 HB3 ASP 27 3HB ASP 27 -0.084 -15.511 -42.017 118 H CYS 28 H CYS 28 -1.500 -17.910 -38.993 119 HA CYS 28 HA CYS 28 -0.151 -20.088 -40.053 120 HB2 CYS 28 2HB CYS 28 -2.176 -21.389 -39.560 121 HB3 CYS 28 3HB CYS 28 -1.786 -20.289 -38.243 122 HG CYS 28 HG CYS 28 -4.548 -20.348 -38.478 123 H TYR 29 H TYR 29 -2.404 -17.940 -41.553 124 HA TYR 29 HA TYR 29 -3.473 -19.445 -43.595 125 HB2 TYR 29 2HB TYR 29 -3.268 -16.711 -42.978 126 HB3 TYR 29 3HB TYR 29 -2.648 -16.874 -44.617 127 HD1 TYR 29 HD1 TYR 29 -5.589 -17.454 -42.456 128 HD2 TYR 29 HD2 TYR 29 -4.105 -17.334 -46.442 129 HE1 TYR 29 HE1 TYR 29 -7.893 -17.544 -43.310 130 HE2 TYR 29 HE2 TYR 29 -6.405 -17.423 -47.307 131 HH TYR 29 HH TYR 29 -9.193 -17.401 -45.120 132 H LEU 30 H LEU 30 -0.336 -17.778 -43.549 133 HA LEU 30 HA LEU 30 0.480 -19.450 -45.834 134 HB2 LEU 30 2HB LEU 30 1.471 -16.678 -45.187 135 HB3 LEU 30 3HB LEU 30 1.920 -17.658 -46.581 136 HG LEU 30 HG LEU 30 -0.732 -16.336 -46.036 137 HD11 LEU 30 1HD1 LEU 30 0.509 -15.934 -48.617 138 HD12 LEU 30 2HD1 LEU 30 1.564 -15.429 -47.297 139 HD13 LEU 30 3HD1 LEU 30 -0.057 -14.751 -47.438 140 HD21 LEU 30 3HD2 LEU 30 -0.119 -18.707 -47.595 141 HD22 LEU 30 1HD2 LEU 30 -0.828 -17.422 -48.574 142 HD23 LEU 30 2HD2 LEU 30 -1.680 -18.017 -47.149 143 H GLN 31 H GLN 31 0.754 -19.469 -42.724 144 HA GLN 31 HA GLN 31 2.312 -20.055 -41.166 145 HB2 GLN 31 2HB GLN 31 3.438 -21.360 -43.643 146 HB3 GLN 31 3HB GLN 31 4.088 -21.636 -42.032 147 HG2 GLN 31 2HG GLN 31 2.681 -23.401 -42.151 148 HG3 GLN 31 3HG GLN 31 1.559 -22.204 -41.508 149 HE21 GLN 31 1HE2 GLN 31 -0.282 -23.051 -42.354 150 HE22 GLN 31 2HE2 GLN 31 -0.616 -23.122 -44.048 151 H ARG 32 H ARG 32 2.696 -17.516 -41.633 152 HA ARG 32 HA ARG 32 5.614 -17.238 -41.689 153 HB2 ARG 32 2HB ARG 32 5.584 -15.371 -43.141 154 HB3 ARG 32 3HB ARG 32 4.574 -16.586 -43.913 155 HG2 ARG 32 2HG ARG 32 2.641 -15.339 -42.670 156 HG3 ARG 32 3HG ARG 32 3.803 -14.010 -42.637 157 HD2 ARG 32 2HD ARG 32 3.083 -15.497 -45.153 158 HD3 ARG 32 3HD ARG 32 2.215 -14.062 -44.607 159 HE ARG 32 HE ARG 32 5.065 -13.707 -44.804 160 HH11 ARG 32 1HH1 ARG 32 2.024 -13.565 -46.493 161 HH12 ARG 32 2HH1 ARG 32 2.592 -12.447 -47.689 162 HH21 ARG 32 1HH2 ARG 32 5.825 -12.236 -46.373 163 HH22 ARG 32 2HH2 ARG 32 4.754 -11.694 -47.621 164 H ALA 33 H ALA 33 6.407 -15.361 -40.574 165 HA ALA 33 HA ALA 33 4.457 -14.177 -38.708 166 HB1 ALA 33 3HB ALA 33 6.910 -14.181 -37.385 167 HB2 ALA 33 1HB ALA 33 5.512 -15.200 -37.043 168 HB3 ALA 33 2HB ALA 33 6.782 -15.779 -38.122 169 H THR 34 H THR 34 4.584 -12.018 -38.384 170 HA THR 34 HA THR 34 6.744 -10.583 -39.788 171 HB THR 34 HB THR 34 4.483 -8.884 -39.291 172 HG1 THR 34 HG1 THR 34 2.858 -10.004 -40.156 173 HG21 THR 34 1HG2 THR 34 4.671 -8.414 -41.615 174 HG22 THR 34 2HG2 THR 34 5.475 -9.952 -41.930 175 HG23 THR 34 3HG2 THR 34 6.310 -8.689 -41.027 176 H CYS 35 H CYS 35 8.167 -9.888 -38.323 177 HA CYS 35 HA CYS 35 7.774 -9.531 -35.613 178 HB2 CYS 35 2HB CYS 35 9.989 -9.612 -36.723 179 HB3 CYS 35 3HB CYS 35 9.707 -7.998 -37.363 180 HG CYS 35 HG CYS 35 9.321 -8.046 -34.077 181 H LYS 36 H LYS 36 6.840 -8.032 -34.376 182 HA LYS 36 HA LYS 36 5.650 -5.709 -35.688 183 HB2 LYS 36 2HB LYS 36 5.206 -6.990 -32.991 184 HB3 LYS 36 3HB LYS 36 4.457 -5.468 -33.462 185 HG2 LYS 36 2HG LYS 36 4.137 -7.978 -35.077 186 HG3 LYS 36 3HG LYS 36 3.070 -7.571 -33.731 187 HD2 LYS 36 2HD LYS 36 1.947 -6.079 -34.957 188 HD3 LYS 36 3HD LYS 36 3.435 -5.339 -35.551 189 HE2 LYS 36 2HE LYS 36 3.485 -7.615 -36.960 190 HE3 LYS 36 3HE LYS 36 1.742 -7.451 -36.751 191 HZ1 LYS 36 3HZ LYS 36 2.617 -4.952 -37.469 192 HZ2 LYS 36 1HZ LYS 36 1.802 -6.057 -38.457 193 HZ3 LYS 36 2HZ LYS 36 3.492 -6.003 -38.464 194 H ARG 37 H ARG 37 8.465 -5.677 -35.298 195 HA ARG 37 HA ARG 37 8.769 -3.656 -33.180 196 HB2 ARG 37 2HB ARG 37 10.185 -5.797 -33.156 197 HB3 ARG 37 3HB ARG 37 11.029 -5.110 -34.537 198 HG2 ARG 37 2HG ARG 37 12.277 -3.840 -33.221 199 HG3 ARG 37 3HG ARG 37 10.852 -3.180 -32.415 200 HD2 ARG 37 2HD ARG 37 10.861 -5.524 -31.216 201 HD3 ARG 37 3HD ARG 37 12.565 -5.498 -31.662 202 HE ARG 37 HE ARG 37 12.905 -3.999 -29.984 203 HH11 ARG 37 1HH1 ARG 37 9.554 -3.864 -30.915 204 HH12 ARG 37 2HH1 ARG 37 9.120 -2.730 -29.679 205 HH21 ARG 37 1HH2 ARG 37 12.348 -2.506 -28.352 206 HH22 ARG 37 2HH2 ARG 37 10.710 -1.958 -28.222 207 H GLU 38 H GLU 38 9.774 -1.699 -33.627 208 HA GLU 38 HA GLU 38 9.459 -0.750 -36.312 209 HB2 GLU 38 2HB GLU 38 9.076 0.545 -34.118 210 HB3 GLU 38 3HB GLU 38 10.822 0.758 -34.095 211 HG2 GLU 38 2HG GLU 38 10.818 2.111 -35.966 212 HG3 GLU 38 3HG GLU 38 9.256 1.509 -36.523 213 H GLY 39 H GLY 39 11.883 -2.447 -34.822 214 HA2 GLY 39 2HA GLY 39 14.025 -1.154 -36.369 215 HA3 GLY 39 3HA GLY 39 14.261 -2.277 -35.037 216 H CYS 40 H CYS 40 12.027 -3.948 -36.327 217 HA CYS 40 HA CYS 40 13.756 -5.228 -38.340 218 HB2 CYS 40 2HB CYS 40 12.245 -6.296 -36.065 219 HB3 CYS 40 3HB CYS 40 11.971 -7.173 -37.565 220 HG CYS 40 HG CYS 40 15.168 -6.738 -37.385 221 H GLY 41 H GLY 41 10.345 -5.767 -37.541 222 HA2 GLY 41 2HA GLY 41 8.498 -5.878 -38.908 223 HA3 GLY 41 3HA GLY 41 9.098 -4.353 -39.542 224 H PHE 42 H PHE 42 9.842 -7.832 -39.811 225 HA PHE 42 HA PHE 42 9.871 -7.503 -42.730 226 HB2 PHE 42 2HB PHE 42 11.858 -8.879 -42.933 227 HB3 PHE 42 3HB PHE 42 12.206 -7.511 -41.881 228 HD1 PHE 42 HD2 PHE 42 11.774 -8.006 -39.306 229 HD2 PHE 42 HD1 PHE 42 12.578 -10.950 -42.275 230 HE1 PHE 42 HE2 PHE 42 12.556 -9.551 -37.558 231 HE2 PHE 42 HE1 PHE 42 13.361 -12.499 -40.531 232 HZ PHE 42 HZ PHE 42 13.351 -11.800 -38.170 233 H ASP 43 H ASP 43 9.368 -9.392 -43.927 234 HA ASP 43 HA ASP 43 7.650 -11.229 -42.457 235 HB2 ASP 43 2HB ASP 43 6.700 -11.818 -44.561 236 HB3 ASP 43 3HB ASP 43 6.916 -10.069 -44.583 237 H TYR 44 H TYR 44 7.929 -13.426 -42.355 238 HA TYR 44 HA TYR 44 9.948 -14.806 -43.831 239 HB2 TYR 44 2HB TYR 44 11.322 -15.452 -41.852 240 HB3 TYR 44 3HB TYR 44 11.449 -13.746 -42.267 241 HD1 TYR 44 HD1 TYR 44 10.138 -12.069 -40.902 242 HD2 TYR 44 HD2 TYR 44 10.605 -16.128 -39.712 243 HE1 TYR 44 HE1 TYR 44 9.524 -11.458 -38.600 244 HE2 TYR 44 HE2 TYR 44 9.993 -15.528 -37.407 245 HH TYR 44 HH TYR 44 9.442 -13.895 -36.014 246 H CYS 45 H CYS 45 9.884 -17.069 -43.515 247 HA CYS 45 HA CYS 45 7.332 -18.054 -42.720 248 HB2 CYS 45 2HB CYS 45 9.444 -18.963 -44.321 249 HB3 CYS 45 3HB CYS 45 9.325 -20.132 -43.012 250 HG CYS 45 HG CYS 45 6.337 -20.055 -43.622 251 H THR 46 H THR 46 6.682 -18.836 -40.822 252 HA THR 46 HA THR 46 8.522 -18.832 -38.592 253 HB THR 46 HB THR 46 6.318 -17.909 -38.217 254 HG1 THR 46 HG1 THR 46 7.448 -19.395 -36.599 255 HG21 THR 46 1HG2 THR 46 5.467 -20.189 -39.721 256 HG22 THR 46 2HG2 THR 46 4.530 -18.784 -39.214 257 HG23 THR 46 3HG2 THR 46 4.652 -20.190 -38.158 258 H LYS 47 H LYS 47 7.771 -21.049 -40.906 259 HA LYS 47 HA LYS 47 7.610 -23.408 -39.267 260 HB2 LYS 47 2HB LYS 47 8.203 -23.232 -42.224 261 HB3 LYS 47 3HB LYS 47 7.621 -24.638 -41.340 262 HG2 LYS 47 2HG LYS 47 6.100 -22.072 -41.760 263 HG3 LYS 47 3HG LYS 47 5.845 -23.585 -42.635 264 HD2 LYS 47 2HD LYS 47 5.597 -23.318 -39.642 265 HD3 LYS 47 3HD LYS 47 4.237 -23.159 -40.755 266 HE2 LYS 47 2HE LYS 47 4.033 -25.374 -40.314 267 HE3 LYS 47 3HE LYS 47 5.211 -25.488 -41.621 268 HZ1 LYS 47 3HZ LYS 47 6.580 -25.089 -39.205 269 HZ2 LYS 47 1HZ LYS 47 6.625 -26.435 -40.230 270 HZ3 LYS 47 2HZ LYS 47 5.483 -26.358 -38.985 271 H CYS 48 H CYS 48 10.098 -21.749 -41.138 272 HA CYS 48 HA CYS 48 12.103 -23.491 -39.864 273 HB2 CYS 48 2HB CYS 48 13.481 -22.958 -42.000 274 HB3 CYS 48 3HB CYS 48 12.230 -24.192 -42.082 275 HG CYS 48 HG CYS 48 11.728 -20.964 -43.093 276 H LEU 49 H LEU 49 10.877 -20.472 -39.964 277 HA LEU 49 HA LEU 49 11.611 -18.389 -39.411 278 HB2 LEU 49 2HB LEU 49 13.813 -19.939 -38.056 279 HB3 LEU 49 3HB LEU 49 13.343 -18.276 -37.710 280 HG LEU 49 HG LEU 49 11.684 -20.744 -37.197 281 HD11 LEU 49 1HD1 LEU 49 13.719 -20.196 -35.720 282 HD12 LEU 49 2HD1 LEU 49 12.166 -20.492 -34.938 283 HD13 LEU 49 3HD1 LEU 49 12.747 -18.840 -35.144 284 HD21 LEU 49 3HD2 LEU 49 10.056 -19.297 -36.214 285 HD22 LEU 49 1HD2 LEU 49 10.379 -18.719 -37.849 286 HD23 LEU 49 2HD2 LEU 49 11.082 -17.884 -36.463 287 H CYS 50 H CYS 50 12.121 -18.222 -41.776 288 HA CYS 50 HA CYS 50 14.776 -17.152 -42.075 289 HB2 CYS 50 2HB CYS 50 15.612 -18.577 -43.728 290 HB3 CYS 50 3HB CYS 50 14.880 -19.688 -42.577 291 HG CYS 50 HG CYS 50 14.247 -19.300 -45.778 292 H ASN 51 H ASN 51 15.064 -16.313 -44.401 293 HA ASN 51 HA ASN 51 13.120 -14.444 -44.968 294 HB2 ASN 51 2HB ASN 51 15.072 -15.687 -46.920 295 HB3 ASN 51 3HB ASN 51 14.225 -14.160 -47.149 296 HD21 ASN 51 1HD2 ASN 51 16.811 -15.790 -45.562 297 HD22 ASN 51 2HD2 ASN 51 17.548 -14.392 -44.863 298 H TYR 52 H TYR 52 11.138 -14.567 -45.769 299 HA TYR 52 HA TYR 52 9.836 -16.888 -46.489 300 HB2 TYR 52 2HB TYR 52 8.911 -14.509 -45.984 301 HB3 TYR 52 3HB TYR 52 9.053 -14.265 -47.721 302 HD1 TYR 52 HD1 TYR 52 7.580 -16.620 -45.230 303 HD2 TYR 52 HD2 TYR 52 7.301 -14.896 -49.110 304 HE1 TYR 52 HE1 TYR 52 5.405 -17.720 -45.555 305 HE2 TYR 52 HE2 TYR 52 5.125 -15.990 -49.446 306 HH TYR 52 HH TYR 52 3.553 -17.276 -48.556 307 H HIS 53 H HIS 53 8.790 -17.309 -48.671 308 HA HIS 53 HA HIS 53 10.831 -17.808 -50.576 309 HB2 HIS 53 2HB HIS 53 7.832 -17.961 -50.949 310 HB3 HIS 53 3HB HIS 53 9.050 -18.723 -51.970 311 HD1 HIS 53 HD1 HIS 53 9.467 -21.097 -51.445 312 HD2 HIS 53 HD2 HIS 53 8.043 -19.018 -48.141 313 HE1 HIS 53 HE1 HIS 53 9.216 -22.815 -49.626 314 H THR 54 H THR 54 9.034 -15.051 -49.914 315 HA THR 54 HA THR 54 8.393 -13.905 -52.318 316 HB THR 54 HB THR 54 9.078 -11.686 -51.219 317 HG1 THR 54 HG1 THR 54 10.042 -13.541 -49.406 318 HG21 THR 54 1HG2 THR 54 6.962 -13.563 -50.565 319 HG22 THR 54 2HG2 THR 54 6.884 -11.818 -50.807 320 HG23 THR 54 3HG2 THR 54 7.313 -12.470 -49.226 321 H THR 55 H THR 55 11.474 -13.232 -50.648 322 HA THR 55 HA THR 55 12.773 -11.956 -52.708 323 HB THR 55 HB THR 55 13.788 -11.977 -50.545 324 HG1 THR 55 HG1 THR 55 15.809 -12.164 -51.263 325 HG21 THR 55 1HG2 THR 55 14.601 -13.928 -49.434 326 HG22 THR 55 2HG2 THR 55 14.292 -14.935 -50.849 327 HG23 THR 55 3HG2 THR 55 12.944 -14.266 -49.931 328 H LYS 56 H LYS 56 12.694 -15.441 -52.032 329 HA LYS 56 HA LYS 56 12.747 -16.231 -54.703 330 HB2 LYS 56 2HB LYS 56 15.273 -15.349 -53.850 331 HB3 LYS 56 3HB LYS 56 15.366 -17.104 -53.849 332 HG2 LYS 56 2HG LYS 56 14.929 -17.250 -56.135 333 HG3 LYS 56 3HG LYS 56 14.286 -15.609 -56.209 334 HD2 LYS 56 2HD LYS 56 17.057 -15.767 -55.274 335 HD3 LYS 56 3HD LYS 56 16.820 -16.345 -56.925 336 HE2 LYS 56 2HE LYS 56 16.098 -14.288 -57.681 337 HE3 LYS 56 3HE LYS 56 15.582 -13.764 -56.079 338 HZ1 LYS 56 3HZ LYS 56 17.479 -12.589 -56.169 339 HZ2 LYS 56 1HZ LYS 56 18.190 -13.590 -57.332 340 HZ3 LYS 56 2HZ LYS 56 18.205 -14.044 -55.703 341 H ASP 57 H ASP 57 13.959 -18.634 -54.701 342 HA ASP 57 HA ASP 57 12.242 -20.306 -53.343 343 HB2 ASP 57 2HB ASP 57 15.079 -20.886 -54.220 344 HB3 ASP 57 3HB ASP 57 13.889 -22.107 -53.779 345 H CYS 58 H CYS 58 12.007 -20.877 -51.288 346 HA CYS 58 HA CYS 58 13.413 -19.807 -49.174 347 HB2 CYS 58 2HB CYS 58 11.270 -20.796 -48.783 348 HB3 CYS 58 3HB CYS 58 11.823 -22.367 -49.350 349 HG CYS 58 HG CYS 58 12.716 -23.245 -47.095 Start of MODEL 19 1 H SER 13 H SER 13 -0.739 -15.479 -29.169 2 HA SER 13 HA SER 13 0.021 -17.613 -30.930 3 HB2 SER 13 2HB SER 13 -1.494 -15.064 -31.545 4 HB3 SER 13 3HB SER 13 -1.407 -16.495 -32.572 5 HG SER 13 HG SER 13 -2.796 -16.097 -30.176 6 H LEU 14 H LEU 14 1.460 -14.720 -30.041 7 HA LEU 14 HA LEU 14 2.647 -14.035 -32.562 8 HB2 LEU 14 2HB LEU 14 2.993 -13.131 -29.736 9 HB3 LEU 14 3HB LEU 14 4.183 -12.676 -30.954 10 HG LEU 14 HG LEU 14 2.545 -10.904 -30.585 11 HD11 LEU 14 1HD1 LEU 14 1.932 -10.522 -32.901 12 HD12 LEU 14 2HD1 LEU 14 2.221 -12.221 -33.279 13 HD13 LEU 14 3HD1 LEU 14 3.564 -11.184 -32.801 14 HD21 LEU 14 3HD2 LEU 14 0.227 -11.166 -31.061 15 HD22 LEU 14 1HD2 LEU 14 0.682 -12.456 -29.949 16 HD23 LEU 14 2HD2 LEU 14 0.473 -12.805 -31.666 17 H LYS 15 H LYS 15 4.705 -14.441 -33.286 18 HA LYS 15 HA LYS 15 6.006 -16.764 -32.126 19 HB2 LYS 15 2HB LYS 15 6.923 -15.236 -34.555 20 HB3 LYS 15 3HB LYS 15 7.236 -16.916 -34.145 21 HG2 LYS 15 2HG LYS 15 4.615 -15.718 -35.009 22 HG3 LYS 15 3HG LYS 15 5.634 -16.835 -35.920 23 HD2 LYS 15 2HD LYS 15 4.240 -17.440 -33.312 24 HD3 LYS 15 3HD LYS 15 3.723 -17.985 -34.910 25 HE2 LYS 15 2HE LYS 15 4.976 -19.795 -34.592 26 HE3 LYS 15 3HE LYS 15 6.390 -18.752 -34.734 27 HZ1 LYS 15 3HZ LYS 15 5.098 -18.867 -32.125 28 HZ2 LYS 15 1HZ LYS 15 6.740 -18.767 -32.516 29 HZ3 LYS 15 2HZ LYS 15 5.935 -20.251 -32.615 30 H ALA 16 H ALA 16 8.575 -16.595 -32.439 31 HA ALA 16 HA ALA 16 9.419 -14.165 -30.997 32 HB1 ALA 16 3HB ALA 16 10.524 -16.954 -30.688 33 HB2 ALA 16 1HB ALA 16 11.069 -15.517 -29.824 34 HB3 ALA 16 2HB ALA 16 9.443 -16.144 -29.556 35 H CYS 17 H CYS 17 10.530 -12.921 -32.358 36 HA CYS 17 HA CYS 17 11.699 -13.635 -34.747 37 HB2 CYS 17 2HB CYS 17 11.285 -11.295 -33.785 38 HB3 CYS 17 3HB CYS 17 12.842 -11.475 -32.986 39 HG CYS 17 HG CYS 17 14.175 -11.920 -35.499 40 H ILE 18 H ILE 18 13.865 -13.986 -35.408 41 HA ILE 18 HA ILE 18 15.348 -15.646 -33.571 42 HB ILE 18 HB ILE 18 16.854 -16.065 -35.463 43 HG12 ILE 18 2HG1 ILE 18 15.084 -14.101 -36.938 44 HG13 ILE 18 3HG1 ILE 18 16.768 -13.841 -36.495 45 HG21 ILE 18 1HG2 ILE 18 15.251 -17.200 -36.907 46 HG22 ILE 18 2HG2 ILE 18 14.822 -17.399 -35.209 47 HG23 ILE 18 3HG2 ILE 18 13.939 -16.249 -36.213 48 HD11 ILE 18 3HD1 ILE 18 17.451 -15.643 -37.967 49 HD12 ILE 18 1HD1 ILE 18 15.767 -15.958 -38.383 50 HD13 ILE 18 2HD1 ILE 18 16.519 -14.431 -38.847 51 H ARG 19 H ARG 19 15.181 -12.421 -33.897 52 HA ARG 19 HA ARG 19 18.048 -11.911 -33.623 53 HB2 ARG 19 2HB ARG 19 15.742 -9.962 -33.789 54 HB3 ARG 19 3HB ARG 19 17.450 -9.543 -33.799 55 HG2 ARG 19 2HG ARG 19 17.452 -11.195 -35.874 56 HG3 ARG 19 3HG ARG 19 15.762 -10.692 -35.942 57 HD2 ARG 19 2HD ARG 19 16.750 -9.090 -37.260 58 HD3 ARG 19 3HD ARG 19 16.778 -8.296 -35.686 59 HE ARG 19 HE ARG 19 19.162 -9.738 -36.022 60 HH11 ARG 19 1HH1 ARG 19 17.527 -6.933 -37.280 61 HH12 ARG 19 2HH1 ARG 19 18.991 -6.104 -37.694 62 HH21 ARG 19 1HH2 ARG 19 21.096 -8.657 -36.564 63 HH22 ARG 19 2HH2 ARG 19 21.021 -7.086 -37.286 64 H CYS 20 H CYS 20 15.175 -10.567 -31.996 65 HA CYS 20 HA CYS 20 16.556 -10.971 -29.426 66 HB2 CYS 20 2HB CYS 20 15.373 -8.846 -28.683 67 HB3 CYS 20 3HB CYS 20 16.699 -8.638 -29.820 68 HG CYS 20 HG CYS 20 13.940 -7.222 -30.072 69 H ASN 21 H ASN 21 14.390 -12.432 -30.979 70 HA ASN 21 HA ASN 21 12.407 -13.484 -30.592 71 HB2 ASN 21 2HB ASN 21 13.227 -13.060 -27.709 72 HB3 ASN 21 3HB ASN 21 12.027 -14.218 -28.275 73 HD21 ASN 21 1HD2 ASN 21 13.190 -15.317 -30.441 74 HD22 ASN 21 2HD2 ASN 21 14.640 -16.145 -29.997 75 H SER 22 H SER 22 11.385 -11.493 -31.466 76 HA SER 22 HA SER 22 9.863 -10.033 -29.413 77 HB2 SER 22 2HB SER 22 10.095 -8.151 -30.636 78 HB3 SER 22 3HB SER 22 11.364 -9.027 -31.494 79 HG SER 22 HG SER 22 8.941 -8.205 -32.382 80 HA PRO 23 HA PRO 23 6.037 -11.727 -30.729 81 HB2 PRO 23 2HB PRO 23 4.373 -9.583 -30.618 82 HB3 PRO 23 3HB PRO 23 5.011 -10.379 -29.176 83 HG2 PRO 23 2HG PRO 23 5.949 -7.880 -30.531 84 HG3 PRO 23 3HG PRO 23 5.749 -8.207 -28.800 85 HD2 PRO 23 2HD PRO 23 8.159 -8.291 -30.030 86 HD3 PRO 23 3HD PRO 23 7.753 -9.336 -28.653 87 H ALA 24 H ALA 24 6.326 -12.325 -32.868 88 HA ALA 24 HA ALA 24 5.875 -10.300 -34.938 89 HB1 ALA 24 3HB ALA 24 7.274 -11.459 -36.228 90 HB2 ALA 24 1HB ALA 24 7.679 -12.380 -34.779 91 HB3 ALA 24 2HB ALA 24 6.449 -12.982 -35.891 92 H LYS 25 H LYS 25 3.983 -10.134 -35.938 93 HA LYS 25 HA LYS 25 1.694 -11.504 -35.231 94 HB2 LYS 25 2HB LYS 25 1.540 -9.421 -36.414 95 HB3 LYS 25 3HB LYS 25 2.381 -10.087 -37.807 96 HG2 LYS 25 2HG LYS 25 -0.014 -9.870 -38.210 97 HG3 LYS 25 3HG LYS 25 0.505 -11.556 -38.267 98 HD2 LYS 25 2HD LYS 25 -1.591 -11.341 -37.045 99 HD3 LYS 25 3HD LYS 25 -0.295 -11.873 -35.971 100 HE2 LYS 25 2HE LYS 25 -0.035 -9.603 -35.134 101 HE3 LYS 25 3HE LYS 25 -1.281 -9.034 -36.246 102 HZ1 LYS 25 3HZ LYS 25 -2.445 -9.311 -34.298 103 HZ2 LYS 25 1HZ LYS 25 -1.568 -10.678 -33.822 104 HZ3 LYS 25 2HZ LYS 25 -2.722 -10.799 -35.053 105 H TYR 26 H TYR 26 1.455 -13.646 -35.307 106 HA TYR 26 HA TYR 26 2.637 -15.223 -37.421 107 HB2 TYR 26 2HB TYR 26 2.702 -16.204 -35.250 108 HB3 TYR 26 3HB TYR 26 0.983 -15.927 -34.997 109 HD1 TYR 26 HD1 TYR 26 2.768 -17.412 -37.916 110 HD2 TYR 26 HD2 TYR 26 0.035 -18.030 -34.713 111 HE1 TYR 26 HE1 TYR 26 2.284 -19.666 -38.772 112 HE2 TYR 26 HE2 TYR 26 -0.456 -20.286 -35.560 113 HH TYR 26 HH TYR 26 0.165 -21.883 -37.013 114 H ASP 27 H ASP 27 1.656 -15.947 -39.200 115 HA ASP 27 HA ASP 27 -1.272 -15.665 -39.385 116 HB2 ASP 27 2HB ASP 27 0.817 -14.544 -41.052 117 HB3 ASP 27 3HB ASP 27 -0.271 -15.559 -41.995 118 H CYS 28 H CYS 28 -1.664 -17.817 -38.859 119 HA CYS 28 HA CYS 28 -0.368 -20.058 -39.841 120 HB2 CYS 28 2HB CYS 28 -2.522 -21.262 -39.384 121 HB3 CYS 28 3HB CYS 28 -1.946 -20.276 -38.045 122 HG CYS 28 HG CYS 28 -4.894 -20.328 -39.111 123 H TYR 29 H TYR 29 -2.594 -17.936 -41.421 124 HA TYR 29 HA TYR 29 -3.682 -19.500 -43.405 125 HB2 TYR 29 2HB TYR 29 -3.429 -16.744 -42.895 126 HB3 TYR 29 3HB TYR 29 -2.832 -16.986 -44.532 127 HD1 TYR 29 HD2 TYR 29 -5.755 -17.418 -42.317 128 HD2 TYR 29 HD1 TYR 29 -4.316 -17.505 -46.320 129 HE1 TYR 29 HE2 TYR 29 -8.070 -17.507 -43.140 130 HE2 TYR 29 HE1 TYR 29 -6.628 -17.593 -47.155 131 HH TYR 29 HH TYR 29 -8.800 -18.031 -46.522 132 H LEU 30 H LEU 30 -0.519 -17.885 -43.411 133 HA LEU 30 HA LEU 30 0.274 -19.646 -45.637 134 HB2 LEU 30 2HB LEU 30 1.356 -16.890 -45.095 135 HB3 LEU 30 3HB LEU 30 1.701 -17.917 -46.484 136 HG LEU 30 HG LEU 30 -0.848 -16.444 -45.858 137 HD11 LEU 30 1HD1 LEU 30 1.401 -15.685 -47.244 138 HD12 LEU 30 2HD1 LEU 30 -0.206 -14.983 -47.415 139 HD13 LEU 30 3HD1 LEU 30 0.321 -16.256 -48.515 140 HD21 LEU 30 3HD2 LEU 30 -1.945 -18.128 -46.826 141 HD22 LEU 30 1HD2 LEU 30 -0.454 -18.906 -47.355 142 HD23 LEU 30 2HD2 LEU 30 -1.170 -17.621 -48.328 143 H GLN 31 H GLN 31 0.544 -19.556 -42.527 144 HA GLN 31 HA GLN 31 2.090 -20.118 -40.949 145 HB2 GLN 31 2HB GLN 31 3.172 -21.519 -43.389 146 HB3 GLN 31 3HB GLN 31 3.877 -21.724 -41.791 147 HG2 GLN 31 2HG GLN 31 1.115 -22.478 -42.699 148 HG3 GLN 31 3HG GLN 31 2.410 -23.544 -42.157 149 HE21 GLN 31 1HE2 GLN 31 3.266 -22.230 -39.905 150 HE22 GLN 31 2HE2 GLN 31 2.012 -22.245 -38.716 151 H ARG 32 H ARG 32 2.474 -17.567 -41.718 152 HA ARG 32 HA ARG 32 5.409 -17.331 -41.777 153 HB2 ARG 32 2HB ARG 32 5.174 -15.247 -43.057 154 HB3 ARG 32 3HB ARG 32 4.518 -16.622 -43.934 155 HG2 ARG 32 2HG ARG 32 2.491 -15.715 -44.030 156 HG3 ARG 32 3HG ARG 32 2.510 -15.297 -42.316 157 HD2 ARG 32 2HD ARG 32 2.322 -13.335 -43.833 158 HD3 ARG 32 3HD ARG 32 3.718 -13.277 -42.759 159 HE ARG 32 HE ARG 32 4.636 -14.424 -45.074 160 HH11 ARG 32 1HH1 ARG 32 3.094 -11.426 -44.207 161 HH12 ARG 32 2HH1 ARG 32 3.853 -10.519 -45.473 162 HH21 ARG 32 1HH2 ARG 32 5.641 -13.241 -46.746 163 HH22 ARG 32 2HH2 ARG 32 5.300 -11.552 -46.918 164 H ALA 33 H ALA 33 6.238 -15.356 -40.770 165 HA ALA 33 HA ALA 33 4.416 -14.209 -38.764 166 HB1 ALA 33 3HB ALA 33 6.572 -15.967 -38.237 167 HB2 ALA 33 1HB ALA 33 7.028 -14.367 -37.651 168 HB3 ALA 33 2HB ALA 33 5.538 -15.123 -37.085 169 H THR 34 H THR 34 4.605 -12.058 -38.440 170 HA THR 34 HA THR 34 6.735 -10.667 -39.928 171 HB THR 34 HB THR 34 4.636 -8.857 -39.303 172 HG1 THR 34 HG1 THR 34 3.736 -11.243 -40.582 173 HG21 THR 34 1HG2 THR 34 5.033 -10.043 -42.021 174 HG22 THR 34 2HG2 THR 34 6.317 -9.079 -41.289 175 HG23 THR 34 3HG2 THR 34 4.727 -8.367 -41.563 176 H CYS 35 H CYS 35 8.258 -9.938 -38.599 177 HA CYS 35 HA CYS 35 7.964 -9.600 -35.828 178 HB2 CYS 35 2HB CYS 35 10.133 -9.961 -37.000 179 HB3 CYS 35 3HB CYS 35 10.033 -8.318 -37.623 180 HG CYS 35 HG CYS 35 9.912 -8.792 -34.264 181 H LYS 36 H LYS 36 6.780 -8.129 -34.823 182 HA LYS 36 HA LYS 36 6.214 -5.577 -36.119 183 HB2 LYS 36 2HB LYS 36 5.100 -6.807 -33.591 184 HB3 LYS 36 3HB LYS 36 4.575 -5.278 -34.283 185 HG2 LYS 36 2HG LYS 36 4.442 -7.856 -35.814 186 HG3 LYS 36 3HG LYS 36 3.141 -7.315 -34.752 187 HD2 LYS 36 2HD LYS 36 2.517 -5.635 -36.149 188 HD3 LYS 36 3HD LYS 36 4.164 -5.351 -36.718 189 HE2 LYS 36 2HE LYS 36 3.470 -6.351 -38.600 190 HE3 LYS 36 3HE LYS 36 3.660 -7.849 -37.689 191 HZ1 LYS 36 3HZ LYS 36 1.521 -7.930 -38.602 192 HZ2 LYS 36 1HZ LYS 36 1.176 -6.323 -38.197 193 HZ3 LYS 36 2HZ LYS 36 1.273 -7.498 -36.985 194 H ARG 37 H ARG 37 8.863 -5.867 -35.300 195 HA ARG 37 HA ARG 37 9.108 -4.376 -32.801 196 HB2 ARG 37 2HB ARG 37 10.566 -6.376 -33.344 197 HB3 ARG 37 3HB ARG 37 11.337 -5.378 -34.570 198 HG2 ARG 37 2HG ARG 37 11.192 -4.249 -31.844 199 HG3 ARG 37 3HG ARG 37 12.273 -5.623 -32.086 200 HD2 ARG 37 2HD ARG 37 13.703 -4.441 -33.377 201 HD3 ARG 37 3HD ARG 37 12.413 -3.500 -34.126 202 HE ARG 37 HE ARG 37 12.463 -2.512 -31.630 203 HH11 ARG 37 1HH1 ARG 37 14.979 -3.100 -33.962 204 HH12 ARG 37 2HH1 ARG 37 15.980 -1.802 -33.404 205 HH21 ARG 37 1HH2 ARG 37 13.772 -0.799 -30.885 206 HH22 ARG 37 2HH2 ARG 37 15.293 -0.494 -31.652 207 H GLU 38 H GLU 38 10.195 -2.385 -32.654 208 HA GLU 38 HA GLU 38 9.767 -0.654 -34.904 209 HB2 GLU 38 2HB GLU 38 9.576 -0.180 -32.315 210 HB3 GLU 38 3HB GLU 38 11.279 0.221 -32.481 211 HG2 GLU 38 2HG GLU 38 8.967 1.500 -33.916 212 HG3 GLU 38 3HG GLU 38 9.982 2.222 -32.669 213 H GLY 39 H GLY 39 11.409 -2.248 -36.047 214 HA2 GLY 39 2HA GLY 39 13.598 -0.771 -36.869 215 HA3 GLY 39 3HA GLY 39 14.184 -1.815 -35.583 216 H CYS 40 H CYS 40 12.346 -3.986 -36.240 217 HA CYS 40 HA CYS 40 13.922 -5.163 -38.369 218 HB2 CYS 40 2HB CYS 40 12.271 -6.136 -36.160 219 HB3 CYS 40 3HB CYS 40 12.025 -7.039 -37.649 220 HG CYS 40 HG CYS 40 15.217 -6.747 -37.403 221 H GLY 41 H GLY 41 10.451 -5.588 -37.780 222 HA2 GLY 41 2HA GLY 41 8.696 -5.706 -39.264 223 HA3 GLY 41 3HA GLY 41 9.376 -4.217 -39.904 224 H PHE 42 H PHE 42 10.037 -7.721 -40.014 225 HA PHE 42 HA PHE 42 10.305 -7.475 -42.932 226 HB2 PHE 42 2HB PHE 42 12.223 -8.951 -42.938 227 HB3 PHE 42 3HB PHE 42 12.554 -7.591 -41.870 228 HD1 PHE 42 HD2 PHE 42 11.838 -8.037 -39.340 229 HD2 PHE 42 HD1 PHE 42 12.794 -11.040 -42.201 230 HE1 PHE 42 HE2 PHE 42 12.374 -9.600 -37.517 231 HE2 PHE 42 HE1 PHE 42 13.330 -12.608 -40.382 232 HZ PHE 42 HZ PHE 42 13.121 -11.888 -38.036 233 H ASP 43 H ASP 43 9.657 -9.266 -44.135 234 HA ASP 43 HA ASP 43 7.793 -11.018 -42.754 235 HB2 ASP 43 2HB ASP 43 6.859 -11.488 -44.860 236 HB3 ASP 43 3HB ASP 43 7.322 -9.792 -44.962 237 H TYR 44 H TYR 44 7.938 -13.226 -42.636 238 HA TYR 44 HA TYR 44 9.882 -14.763 -44.022 239 HB2 TYR 44 2HB TYR 44 11.276 -15.395 -42.084 240 HB3 TYR 44 3HB TYR 44 11.428 -13.686 -42.476 241 HD1 TYR 44 HD1 TYR 44 10.038 -12.031 -41.093 242 HD2 TYR 44 HD2 TYR 44 10.707 -16.066 -39.920 243 HE1 TYR 44 HE1 TYR 44 9.469 -11.446 -38.772 244 HE2 TYR 44 HE2 TYR 44 10.139 -15.492 -37.597 245 HH TYR 44 HH TYR 44 10.162 -13.389 -36.163 246 H CYS 45 H CYS 45 9.723 -17.013 -43.574 247 HA CYS 45 HA CYS 45 7.115 -17.829 -42.781 248 HB2 CYS 45 2HB CYS 45 9.108 -18.913 -44.338 249 HB3 CYS 45 3HB CYS 45 9.143 -19.943 -42.912 250 HG CYS 45 HG CYS 45 6.021 -19.532 -43.804 251 H THR 46 H THR 46 6.401 -18.778 -40.937 252 HA THR 46 HA THR 46 8.025 -18.451 -38.577 253 HB THR 46 HB THR 46 5.685 -17.876 -38.410 254 HG1 THR 46 HG1 THR 46 6.035 -20.308 -36.979 255 HG21 THR 46 1HG2 THR 46 4.118 -19.035 -39.486 256 HG22 THR 46 2HG2 THR 46 4.413 -20.415 -38.428 257 HG23 THR 46 3HG2 THR 46 5.313 -20.249 -39.935 258 H LYS 47 H LYS 47 7.549 -20.914 -40.820 259 HA LYS 47 HA LYS 47 7.922 -23.110 -38.964 260 HB2 LYS 47 2HB LYS 47 7.931 -23.129 -41.988 261 HB3 LYS 47 3HB LYS 47 7.832 -24.536 -40.938 262 HG2 LYS 47 2HG LYS 47 5.763 -22.415 -40.677 263 HG3 LYS 47 3HG LYS 47 5.690 -23.518 -42.053 264 HD2 LYS 47 2HD LYS 47 4.472 -24.749 -40.584 265 HD3 LYS 47 3HD LYS 47 6.076 -25.305 -40.104 266 HE2 LYS 47 2HE LYS 47 5.819 -23.080 -38.576 267 HE3 LYS 47 3HE LYS 47 4.143 -23.617 -38.666 268 HZ1 LYS 47 3HZ LYS 47 6.023 -25.731 -38.123 269 HZ2 LYS 47 1HZ LYS 47 4.557 -25.364 -37.362 270 HZ3 LYS 47 2HZ LYS 47 5.969 -24.545 -36.917 271 H CYS 48 H CYS 48 9.753 -21.607 -41.619 272 HA CYS 48 HA CYS 48 12.142 -23.071 -40.794 273 HB2 CYS 48 2HB CYS 48 11.556 -21.338 -43.200 274 HB3 CYS 48 3HB CYS 48 13.135 -22.041 -42.869 275 HG CYS 48 HG CYS 48 12.541 -24.568 -43.436 276 H LEU 49 H LEU 49 10.659 -20.082 -40.299 277 HA LEU 49 HA LEU 49 11.305 -18.140 -39.308 278 HB2 LEU 49 2HB LEU 49 13.575 -19.888 -38.377 279 HB3 LEU 49 3HB LEU 49 13.247 -18.268 -37.767 280 HG LEU 49 HG LEU 49 11.549 -20.734 -37.423 281 HD11 LEU 49 1HD1 LEU 49 12.267 -20.802 -35.279 282 HD12 LEU 49 2HD1 LEU 49 12.454 -19.052 -35.168 283 HD13 LEU 49 3HD1 LEU 49 13.683 -20.019 -35.983 284 HD21 LEU 49 3HD2 LEU 49 10.008 -19.316 -36.167 285 HD22 LEU 49 1HD2 LEU 49 10.114 -18.809 -37.852 286 HD23 LEU 49 2HD2 LEU 49 10.955 -17.893 -36.602 287 H CYS 50 H CYS 50 12.324 -18.902 -42.026 288 HA CYS 50 HA CYS 50 14.554 -16.979 -42.128 289 HB2 CYS 50 2HB CYS 50 14.182 -19.576 -43.599 290 HB3 CYS 50 3HB CYS 50 15.203 -18.303 -44.258 291 HG CYS 50 HG CYS 50 16.649 -20.406 -42.895 292 H ASN 51 H ASN 51 14.820 -16.271 -44.579 293 HA ASN 51 HA ASN 51 12.753 -14.580 -45.212 294 HB2 ASN 51 2HB ASN 51 14.811 -15.834 -47.038 295 HB3 ASN 51 3HB ASN 51 13.745 -14.520 -47.527 296 HD21 ASN 51 1HD2 ASN 51 16.487 -15.436 -45.635 297 HD22 ASN 51 2HD2 ASN 51 16.994 -13.839 -45.214 298 H TYR 52 H TYR 52 10.740 -14.904 -45.862 299 HA TYR 52 HA TYR 52 9.574 -17.338 -46.408 300 HB2 TYR 52 2HB TYR 52 8.483 -15.040 -45.954 301 HB3 TYR 52 3HB TYR 52 8.571 -14.811 -47.697 302 HD1 TYR 52 HD2 TYR 52 7.375 -17.313 -45.193 303 HD2 TYR 52 HD1 TYR 52 6.778 -15.487 -48.989 304 HE1 TYR 52 HE2 TYR 52 5.273 -18.564 -45.458 305 HE2 TYR 52 HE1 TYR 52 4.674 -16.731 -49.264 306 HH TYR 52 HH TYR 52 3.706 -18.939 -48.334 307 H HIS 53 H HIS 53 8.485 -17.985 -48.493 308 HA HIS 53 HA HIS 53 10.445 -18.451 -50.471 309 HB2 HIS 53 2HB HIS 53 7.445 -18.762 -50.707 310 HB3 HIS 53 3HB HIS 53 8.656 -19.519 -51.739 311 HD1 HIS 53 HD1 HIS 53 9.391 -21.790 -51.059 312 HD2 HIS 53 HD2 HIS 53 7.635 -19.713 -47.918 313 HE1 HIS 53 HE1 HIS 53 9.250 -23.433 -49.162 314 H THR 54 H THR 54 8.455 -15.782 -49.891 315 HA THR 54 HA THR 54 7.754 -14.817 -52.372 316 HB THR 54 HB THR 54 8.286 -12.491 -51.293 317 HG1 THR 54 HG1 THR 54 8.440 -12.651 -49.008 318 HG21 THR 54 1HG2 THR 54 6.281 -13.088 -49.604 319 HG22 THR 54 2HG2 THR 54 6.190 -14.483 -50.678 320 HG23 THR 54 3HG2 THR 54 6.047 -12.854 -51.336 321 H THR 55 H THR 55 10.911 -14.915 -50.876 322 HA THR 55 HA THR 55 12.124 -13.204 -52.866 323 HB THR 55 HB THR 55 13.964 -14.835 -51.285 324 HG1 THR 55 HG1 THR 55 11.963 -13.273 -50.004 325 HG21 THR 55 1HG2 THR 55 13.955 -11.995 -50.752 326 HG22 THR 55 2HG2 THR 55 13.885 -12.314 -52.485 327 HG23 THR 55 3HG2 THR 55 15.195 -12.989 -51.516 328 H LYS 56 H LYS 56 14.466 -14.344 -53.510 329 HA LYS 56 HA LYS 56 13.820 -16.066 -55.623 330 HB2 LYS 56 2HB LYS 56 16.471 -15.500 -54.291 331 HB3 LYS 56 3HB LYS 56 16.302 -16.427 -55.776 332 HG2 LYS 56 2HG LYS 56 15.158 -13.675 -55.598 333 HG3 LYS 56 3HG LYS 56 16.885 -13.905 -55.886 334 HD2 LYS 56 2HD LYS 56 16.119 -13.852 -58.045 335 HD3 LYS 56 3HD LYS 56 16.009 -15.584 -57.720 336 HE2 LYS 56 2HE LYS 56 13.722 -15.554 -57.601 337 HE3 LYS 56 3HE LYS 56 13.663 -13.873 -57.072 338 HZ1 LYS 56 3HZ LYS 56 13.172 -14.780 -59.595 339 HZ2 LYS 56 1HZ LYS 56 14.738 -14.148 -59.707 340 HZ3 LYS 56 2HZ LYS 56 13.469 -13.173 -59.158 341 H ASP 57 H ASP 57 14.884 -16.705 -52.342 342 HA ASP 57 HA ASP 57 14.176 -19.512 -52.694 343 HB2 ASP 57 2HB ASP 57 16.730 -19.053 -53.034 344 HB3 ASP 57 3HB ASP 57 16.747 -18.899 -51.279 345 H CYS 58 H CYS 58 13.662 -20.591 -50.748 346 HA CYS 58 HA CYS 58 12.669 -18.823 -48.696 347 HB2 CYS 58 2HB CYS 58 11.267 -20.668 -49.378 348 HB3 CYS 58 3HB CYS 58 12.542 -21.825 -49.017 349 HG CYS 58 HG CYS 58 12.469 -21.071 -46.208 Start of MODEL 20 1 H SER 13 H SER 13 0.020 -12.708 -28.223 2 HA SER 13 HA SER 13 -0.992 -15.018 -29.589 3 HB2 SER 13 2HB SER 13 -2.137 -12.693 -29.074 4 HB3 SER 13 3HB SER 13 -1.427 -12.243 -30.623 5 HG SER 13 HG SER 13 -2.890 -13.393 -31.590 6 H LEU 14 H LEU 14 1.761 -13.134 -29.946 7 HA LEU 14 HA LEU 14 1.994 -13.784 -32.807 8 HB2 LEU 14 2HB LEU 14 3.580 -11.811 -31.170 9 HB3 LEU 14 3HB LEU 14 3.741 -12.088 -32.903 10 HG LEU 14 HG LEU 14 1.561 -10.683 -31.408 11 HD11 LEU 14 1HD1 LEU 14 3.651 -10.026 -33.340 12 HD12 LEU 14 2HD1 LEU 14 2.805 -8.997 -32.186 13 HD13 LEU 14 3HD1 LEU 14 2.067 -9.364 -33.744 14 HD21 LEU 14 3HD2 LEU 14 1.333 -12.220 -33.945 15 HD22 LEU 14 1HD2 LEU 14 0.496 -10.673 -33.816 16 HD23 LEU 14 2HD2 LEU 14 0.145 -11.963 -32.667 17 H LYS 15 H LYS 15 4.267 -14.291 -33.520 18 HA LYS 15 HA LYS 15 5.281 -16.441 -31.879 19 HB2 LYS 15 2HB LYS 15 5.975 -15.409 -34.623 20 HB3 LYS 15 3HB LYS 15 6.919 -16.668 -33.837 21 HG2 LYS 15 2HG LYS 15 4.074 -17.232 -33.789 22 HG3 LYS 15 3HG LYS 15 4.698 -17.034 -35.427 23 HD2 LYS 15 2HD LYS 15 4.877 -19.349 -34.815 24 HD3 LYS 15 3HD LYS 15 6.500 -18.658 -34.872 25 HE2 LYS 15 2HE LYS 15 6.855 -19.093 -32.713 26 HE3 LYS 15 3HE LYS 15 5.301 -18.404 -32.245 27 HZ1 LYS 15 3HZ LYS 15 4.227 -20.473 -32.751 28 HZ2 LYS 15 1HZ LYS 15 5.514 -20.777 -31.695 29 HZ3 LYS 15 2HZ LYS 15 5.666 -21.139 -33.340 30 H ALA 16 H ALA 16 7.898 -16.566 -32.153 31 HA ALA 16 HA ALA 16 8.897 -14.081 -30.921 32 HB1 ALA 16 3HB ALA 16 10.505 -15.478 -29.704 33 HB2 ALA 16 1HB ALA 16 8.838 -15.924 -29.342 34 HB3 ALA 16 2HB ALA 16 9.799 -16.918 -30.438 35 H CYS 17 H CYS 17 10.018 -12.989 -32.409 36 HA CYS 17 HA CYS 17 11.156 -13.922 -34.730 37 HB2 CYS 17 2HB CYS 17 10.847 -11.502 -33.931 38 HB3 CYS 17 3HB CYS 17 12.405 -11.692 -33.135 39 HG CYS 17 HG CYS 17 11.875 -12.005 -36.502 40 H ILE 18 H ILE 18 13.283 -14.447 -35.368 41 HA ILE 18 HA ILE 18 14.715 -16.003 -33.402 42 HB ILE 18 HB ILE 18 16.111 -16.748 -35.229 43 HG12 ILE 18 2HG1 ILE 18 14.656 -14.690 -36.904 44 HG13 ILE 18 3HG1 ILE 18 16.339 -14.599 -36.400 45 HG21 ILE 18 1HG2 ILE 18 13.723 -16.924 -36.800 46 HG22 ILE 18 2HG2 ILE 18 14.506 -18.162 -35.819 47 HG23 ILE 18 3HG2 ILE 18 13.324 -17.075 -35.088 48 HD11 ILE 18 3HD1 ILE 18 16.951 -15.737 -38.188 49 HD12 ILE 18 1HD1 ILE 18 15.914 -17.083 -37.718 50 HD13 ILE 18 2HD1 ILE 18 15.270 -15.781 -38.718 51 H ARG 19 H ARG 19 14.683 -12.824 -33.967 52 HA ARG 19 HA ARG 19 17.575 -12.413 -33.837 53 HB2 ARG 19 2HB ARG 19 15.320 -10.411 -34.065 54 HB3 ARG 19 3HB ARG 19 17.035 -10.026 -34.113 55 HG2 ARG 19 2HG ARG 19 16.859 -11.891 -36.077 56 HG3 ARG 19 3HG ARG 19 15.283 -11.105 -36.196 57 HD2 ARG 19 2HD ARG 19 16.476 -9.719 -37.551 58 HD3 ARG 19 3HD ARG 19 16.783 -8.925 -36.007 59 HE ARG 19 HE ARG 19 18.755 -10.889 -36.531 60 HH11 ARG 19 1HH1 ARG 19 17.736 -7.694 -37.471 61 HH12 ARG 19 2HH1 ARG 19 19.325 -7.182 -37.931 62 HH21 ARG 19 1HH2 ARG 19 20.852 -10.225 -37.136 63 HH22 ARG 19 2HH2 ARG 19 21.096 -8.622 -37.741 64 H CYS 20 H CYS 20 14.668 -11.314 -32.084 65 HA CYS 20 HA CYS 20 16.187 -11.468 -29.587 66 HB2 CYS 20 2HB CYS 20 15.113 -9.262 -28.902 67 HB3 CYS 20 3HB CYS 20 16.422 -9.164 -30.072 68 HG CYS 20 HG CYS 20 14.821 -7.349 -31.146 69 H ASN 21 H ASN 21 14.008 -13.014 -30.896 70 HA ASN 21 HA ASN 21 12.014 -13.993 -30.392 71 HB2 ASN 21 2HB ASN 21 12.914 -13.235 -27.604 72 HB3 ASN 21 3HB ASN 21 11.594 -14.346 -27.958 73 HD21 ASN 21 1HD2 ASN 21 12.384 -16.224 -27.242 74 HD22 ASN 21 2HD2 ASN 21 13.845 -16.959 -27.800 75 H SER 22 H SER 22 11.753 -11.360 -31.243 76 HA SER 22 HA SER 22 9.924 -9.990 -29.466 77 HB2 SER 22 2HB SER 22 11.448 -9.327 -31.861 78 HB3 SER 22 3HB SER 22 9.796 -8.713 -31.932 79 HG SER 22 HG SER 22 10.292 -7.934 -29.694 80 HA PRO 23 HA PRO 23 6.122 -11.504 -31.042 81 HB2 PRO 23 2HB PRO 23 4.572 -9.275 -31.044 82 HB3 PRO 23 3HB PRO 23 5.064 -10.102 -29.561 83 HG2 PRO 23 2HG PRO 23 6.227 -7.659 -30.842 84 HG3 PRO 23 3HG PRO 23 5.889 -7.971 -29.130 85 HD2 PRO 23 2HD PRO 23 8.372 -8.188 -30.189 86 HD3 PRO 23 3HD PRO 23 7.814 -9.206 -28.846 87 H ALA 24 H ALA 24 5.784 -12.127 -33.075 88 HA ALA 24 HA ALA 24 5.735 -10.070 -35.185 89 HB1 ALA 24 3HB ALA 24 7.760 -11.309 -35.480 90 HB2 ALA 24 1HB ALA 24 6.902 -12.843 -35.336 91 HB3 ALA 24 2HB ALA 24 6.627 -11.808 -36.737 92 H LYS 25 H LYS 25 3.931 -10.004 -36.363 93 HA LYS 25 HA LYS 25 1.621 -11.363 -35.752 94 HB2 LYS 25 2HB LYS 25 1.591 -9.356 -37.105 95 HB3 LYS 25 3HB LYS 25 2.462 -10.169 -38.399 96 HG2 LYS 25 2HG LYS 25 0.078 -9.930 -38.891 97 HG3 LYS 25 3HG LYS 25 0.571 -11.623 -38.804 98 HD2 LYS 25 2HD LYS 25 -1.544 -11.319 -37.663 99 HD3 LYS 25 3HD LYS 25 -0.286 -11.726 -36.494 100 HE2 LYS 25 2HE LYS 25 -1.809 -9.903 -35.752 101 HE3 LYS 25 3HE LYS 25 -0.108 -9.443 -35.797 102 HZ1 LYS 25 3HZ LYS 25 -2.092 -8.822 -37.917 103 HZ2 LYS 25 1HZ LYS 25 -0.475 -8.325 -37.885 104 HZ3 LYS 25 2HZ LYS 25 -1.565 -7.734 -36.734 105 H TYR 26 H TYR 26 1.525 -13.528 -35.630 106 HA TYR 26 HA TYR 26 2.788 -15.197 -37.632 107 HB2 TYR 26 2HB TYR 26 2.932 -16.001 -35.389 108 HB3 TYR 26 3HB TYR 26 1.201 -15.810 -35.137 109 HD1 TYR 26 HD1 TYR 26 3.163 -17.441 -37.868 110 HD2 TYR 26 HD2 TYR 26 0.275 -17.896 -34.778 111 HE1 TYR 26 HE1 TYR 26 2.812 -19.778 -38.549 112 HE2 TYR 26 HE2 TYR 26 -0.084 -20.234 -35.449 113 HH TYR 26 HH TYR 26 1.952 -21.954 -37.284 114 H ASP 27 H ASP 27 1.790 -16.345 -39.210 115 HA ASP 27 HA ASP 27 -1.139 -16.148 -39.404 116 HB2 ASP 27 2HB ASP 27 0.885 -15.142 -41.256 117 HB3 ASP 27 3HB ASP 27 -0.283 -16.206 -42.033 118 H CYS 28 H CYS 28 -1.535 -18.239 -38.790 119 HA CYS 28 HA CYS 28 -0.099 -20.506 -39.518 120 HB2 CYS 28 2HB CYS 28 -2.137 -21.775 -38.938 121 HB3 CYS 28 3HB CYS 28 -1.759 -20.544 -37.738 122 HG CYS 28 HG CYS 28 -4.457 -20.877 -39.675 123 H TYR 29 H TYR 29 -2.283 -18.588 -41.358 124 HA TYR 29 HA TYR 29 -3.318 -20.343 -43.208 125 HB2 TYR 29 2HB TYR 29 -3.071 -17.549 -42.968 126 HB3 TYR 29 3HB TYR 29 -2.420 -17.954 -44.553 127 HD1 TYR 29 HD1 TYR 29 -5.417 -18.107 -42.411 128 HD2 TYR 29 HD2 TYR 29 -3.847 -18.704 -46.320 129 HE1 TYR 29 HE1 TYR 29 -7.705 -18.276 -43.298 130 HE2 TYR 29 HE2 TYR 29 -6.130 -18.873 -47.218 131 HH TYR 29 HH TYR 29 -8.961 -18.686 -45.084 132 H LEU 30 H LEU 30 -0.199 -18.633 -43.405 133 HA LEU 30 HA LEU 30 0.699 -20.696 -45.308 134 HB2 LEU 30 2HB LEU 30 1.595 -17.820 -45.230 135 HB3 LEU 30 3HB LEU 30 2.078 -19.045 -46.402 136 HG LEU 30 HG LEU 30 -0.631 -17.752 -46.120 137 HD11 LEU 30 1HD1 LEU 30 0.448 -17.668 -48.738 138 HD12 LEU 30 2HD1 LEU 30 1.695 -17.118 -47.619 139 HD13 LEU 30 3HD1 LEU 30 0.119 -16.328 -47.639 140 HD21 LEU 30 3HD2 LEU 30 -1.411 -19.732 -46.840 141 HD22 LEU 30 1HD2 LEU 30 0.182 -20.291 -47.353 142 HD23 LEU 30 2HD2 LEU 30 -0.756 -19.221 -48.397 143 H GLN 31 H GLN 31 0.928 -20.180 -42.272 144 HA GLN 31 HA GLN 31 2.477 -20.419 -40.617 145 HB2 GLN 31 2HB GLN 31 3.754 -21.991 -42.852 146 HB3 GLN 31 3HB GLN 31 4.402 -21.960 -41.217 147 HG2 GLN 31 2HG GLN 31 3.142 -23.830 -41.057 148 HG3 GLN 31 3HG GLN 31 1.915 -22.642 -40.618 149 HE21 GLN 31 1HE2 GLN 31 0.182 -23.815 -41.322 150 HE22 GLN 31 2HE2 GLN 31 -0.120 -24.160 -42.987 151 H ARG 32 H ARG 32 2.656 -17.958 -41.765 152 HA ARG 32 HA ARG 32 5.561 -17.484 -41.907 153 HB2 ARG 32 2HB ARG 32 5.206 -15.670 -43.383 154 HB3 ARG 32 3HB ARG 32 4.206 -16.981 -43.994 155 HG2 ARG 32 2HG ARG 32 2.335 -15.863 -42.579 156 HG3 ARG 32 3HG ARG 32 3.388 -14.449 -42.646 157 HD2 ARG 32 2HD ARG 32 2.356 -15.985 -45.028 158 HD3 ARG 32 3HD ARG 32 1.718 -14.447 -44.447 159 HE ARG 32 HE ARG 32 4.133 -14.868 -45.964 160 HH11 ARG 32 1HH1 ARG 32 2.397 -12.731 -43.832 161 HH12 ARG 32 2HH1 ARG 32 3.249 -11.313 -44.348 162 HH21 ARG 32 1HH2 ARG 32 5.261 -13.008 -46.651 163 HH22 ARG 32 2HH2 ARG 32 4.877 -11.472 -45.951 164 H ALA 33 H ALA 33 6.308 -15.444 -41.009 165 HA ALA 33 HA ALA 33 4.515 -14.215 -39.044 166 HB1 ALA 33 3HB ALA 33 5.519 -15.673 -37.575 167 HB2 ALA 33 1HB ALA 33 7.051 -15.669 -38.448 168 HB3 ALA 33 2HB ALA 33 6.593 -14.279 -37.463 169 H THR 34 H THR 34 4.850 -12.067 -38.726 170 HA THR 34 HA THR 34 7.188 -10.850 -40.043 171 HB THR 34 HB THR 34 4.763 -9.186 -39.976 172 HG1 THR 34 HG1 THR 34 3.522 -10.476 -41.100 173 HG21 THR 34 1HG2 THR 34 6.897 -9.854 -41.995 174 HG22 THR 34 2HG2 THR 34 6.668 -8.345 -41.111 175 HG23 THR 34 3HG2 THR 34 5.521 -8.815 -42.366 176 H CYS 35 H CYS 35 8.411 -9.947 -38.529 177 HA CYS 35 HA CYS 35 7.630 -9.374 -35.915 178 HB2 CYS 35 2HB CYS 35 9.994 -9.630 -36.846 179 HB3 CYS 35 3HB CYS 35 9.867 -7.950 -37.350 180 HG CYS 35 HG CYS 35 9.195 -8.609 -34.108 181 H LYS 36 H LYS 36 7.117 -7.470 -34.834 182 HA LYS 36 HA LYS 36 5.960 -5.387 -36.547 183 HB2 LYS 36 2HB LYS 36 5.495 -5.680 -33.588 184 HB3 LYS 36 3HB LYS 36 4.494 -4.855 -34.775 185 HG2 LYS 36 2HG LYS 36 4.830 -7.812 -34.369 186 HG3 LYS 36 3HG LYS 36 3.363 -6.844 -34.207 187 HD2 LYS 36 2HD LYS 36 4.857 -7.474 -36.751 188 HD3 LYS 36 3HD LYS 36 3.265 -8.069 -36.276 189 HE2 LYS 36 2HE LYS 36 4.020 -5.215 -36.893 190 HE3 LYS 36 3HE LYS 36 3.026 -6.279 -37.885 191 HZ1 LYS 36 3HZ LYS 36 1.641 -4.779 -36.636 192 HZ2 LYS 36 1HZ LYS 36 2.347 -5.266 -35.177 193 HZ3 LYS 36 2HZ LYS 36 1.407 -6.354 -36.067 194 H ARG 37 H ARG 37 8.532 -5.995 -34.383 195 HA ARG 37 HA ARG 37 9.016 -3.581 -33.161 196 HB2 ARG 37 2HB ARG 37 10.339 -5.735 -32.945 197 HB3 ARG 37 3HB ARG 37 11.184 -5.264 -34.414 198 HG2 ARG 37 2HG ARG 37 12.477 -3.800 -33.337 199 HG3 ARG 37 3HG ARG 37 11.131 -3.174 -32.381 200 HD2 ARG 37 2HD ARG 37 11.430 -5.627 -31.283 201 HD3 ARG 37 3HD ARG 37 13.093 -5.276 -31.750 202 HE ARG 37 HE ARG 37 12.309 -3.016 -30.481 203 HH11 ARG 37 1HH1 ARG 37 12.259 -6.392 -29.632 204 HH12 ARG 37 2HH1 ARG 37 12.438 -6.101 -27.934 205 HH21 ARG 37 1HH2 ARG 37 12.543 -2.621 -28.247 206 HH22 ARG 37 2HH2 ARG 37 12.598 -3.956 -27.147 207 H GLU 38 H GLU 38 10.258 -1.744 -33.687 208 HA GLU 38 HA GLU 38 9.986 -0.925 -36.442 209 HB2 GLU 38 2HB GLU 38 11.205 0.605 -34.139 210 HB3 GLU 38 3HB GLU 38 10.655 1.267 -35.672 211 HG2 GLU 38 2HG GLU 38 8.918 0.008 -33.563 212 HG3 GLU 38 3HG GLU 38 9.069 1.731 -33.897 213 H GLY 39 H GLY 39 12.223 -2.735 -34.935 214 HA2 GLY 39 2HA GLY 39 14.485 -1.562 -36.425 215 HA3 GLY 39 3HA GLY 39 14.647 -2.589 -35.008 216 H CYS 40 H CYS 40 12.216 -3.877 -36.812 217 HA CYS 40 HA CYS 40 14.018 -5.494 -38.472 218 HB2 CYS 40 2HB CYS 40 12.361 -6.391 -36.220 219 HB3 CYS 40 3HB CYS 40 12.130 -7.326 -37.692 220 HG CYS 40 HG CYS 40 15.036 -7.674 -37.898 221 H GLY 41 H GLY 41 10.559 -5.832 -37.775 222 HA2 GLY 41 2HA GLY 41 8.753 -5.903 -39.197 223 HA3 GLY 41 3HA GLY 41 9.461 -4.449 -39.887 224 H PHE 42 H PHE 42 10.084 -7.963 -39.939 225 HA PHE 42 HA PHE 42 10.153 -7.816 -42.871 226 HB2 PHE 42 2HB PHE 42 12.131 -9.195 -42.984 227 HB3 PHE 42 3HB PHE 42 12.482 -7.798 -41.973 228 HD1 PHE 42 HD2 PHE 42 11.923 -8.234 -39.382 229 HD2 PHE 42 HD1 PHE 42 12.902 -11.219 -42.256 230 HE1 PHE 42 HE2 PHE 42 12.661 -9.728 -37.573 231 HE2 PHE 42 HE1 PHE 42 13.640 -12.719 -40.450 232 HZ PHE 42 HZ PHE 42 13.522 -11.974 -38.106 233 H ASP 43 H ASP 43 9.615 -9.757 -43.952 234 HA ASP 43 HA ASP 43 7.891 -11.496 -42.371 235 HB2 ASP 43 2HB ASP 43 8.241 -11.071 -45.335 236 HB3 ASP 43 3HB ASP 43 7.263 -12.383 -44.685 237 H TYR 44 H TYR 44 8.182 -13.666 -42.108 238 HA TYR 44 HA TYR 44 10.188 -15.130 -43.547 239 HB2 TYR 44 2HB TYR 44 11.507 -15.724 -41.503 240 HB3 TYR 44 3HB TYR 44 11.685 -14.047 -42.007 241 HD1 TYR 44 HD1 TYR 44 10.426 -12.261 -40.755 242 HD2 TYR 44 HD2 TYR 44 10.695 -16.269 -39.353 243 HE1 TYR 44 HE1 TYR 44 9.783 -11.510 -38.503 244 HE2 TYR 44 HE2 TYR 44 10.051 -15.529 -37.097 245 HH TYR 44 HH TYR 44 8.980 -13.733 -35.984 246 H CYS 45 H CYS 45 10.070 -17.372 -43.198 247 HA CYS 45 HA CYS 45 7.506 -18.303 -42.378 248 HB2 CYS 45 2HB CYS 45 9.772 -19.340 -43.816 249 HB3 CYS 45 3HB CYS 45 9.251 -20.510 -42.610 250 HG CYS 45 HG CYS 45 6.695 -20.800 -43.560 251 H THR 46 H THR 46 6.881 -19.360 -40.558 252 HA THR 46 HA THR 46 8.625 -19.138 -38.256 253 HB THR 46 HB THR 46 6.350 -18.479 -37.897 254 HG1 THR 46 HG1 THR 46 7.504 -19.904 -36.290 255 HG21 THR 46 1HG2 THR 46 4.732 -19.425 -39.109 256 HG22 THR 46 2HG2 THR 46 4.832 -20.825 -38.041 257 HG23 THR 46 3HG2 THR 46 5.772 -20.783 -39.532 258 H LYS 47 H LYS 47 7.937 -21.482 -40.571 259 HA LYS 47 HA LYS 47 8.325 -23.766 -38.825 260 HB2 LYS 47 2HB LYS 47 8.281 -23.808 -41.838 261 HB3 LYS 47 3HB LYS 47 7.901 -25.117 -40.727 262 HG2 LYS 47 2HG LYS 47 6.269 -22.609 -41.058 263 HG3 LYS 47 3HG LYS 47 5.909 -24.165 -41.810 264 HD2 LYS 47 2HD LYS 47 6.262 -23.979 -38.845 265 HD3 LYS 47 3HD LYS 47 4.731 -23.504 -39.585 266 HE2 LYS 47 2HE LYS 47 4.210 -25.678 -39.361 267 HE3 LYS 47 3HE LYS 47 5.193 -25.881 -40.810 268 HZ1 LYS 47 3HZ LYS 47 6.913 -25.894 -38.620 269 HZ2 LYS 47 1HZ LYS 47 6.532 -27.182 -39.648 270 HZ3 LYS 47 2HZ LYS 47 5.630 -26.928 -38.240 271 H CYS 48 H CYS 48 10.122 -21.946 -41.246 272 HA CYS 48 HA CYS 48 12.486 -23.609 -40.694 273 HB2 CYS 48 2HB CYS 48 12.106 -21.692 -42.997 274 HB3 CYS 48 3HB CYS 48 13.379 -22.891 -42.806 275 HG CYS 48 HG CYS 48 11.921 -25.059 -43.410 276 H LEU 49 H LEU 49 11.087 -20.630 -40.025 277 HA LEU 49 HA LEU 49 11.830 -18.683 -39.111 278 HB2 LEU 49 2HB LEU 49 13.841 -20.681 -38.137 279 HB3 LEU 49 3HB LEU 49 13.961 -18.979 -37.693 280 HG LEU 49 HG LEU 49 11.676 -20.841 -37.044 281 HD11 LEU 49 1HD1 LEU 49 13.144 -19.509 -34.895 282 HD12 LEU 49 2HD1 LEU 49 14.105 -20.666 -35.815 283 HD13 LEU 49 3HD1 LEU 49 12.609 -21.184 -35.040 284 HD21 LEU 49 3HD2 LEU 49 11.761 -17.993 -37.238 285 HD22 LEU 49 1HD2 LEU 49 11.571 -18.455 -35.546 286 HD23 LEU 49 2HD2 LEU 49 10.423 -19.035 -36.752 287 H CYS 50 H CYS 50 12.485 -18.971 -41.799 288 HA CYS 50 HA CYS 50 14.966 -17.408 -41.910 289 HB2 CYS 50 2HB CYS 50 14.572 -20.027 -43.015 290 HB3 CYS 50 3HB CYS 50 14.793 -18.875 -44.326 291 HG CYS 50 HG CYS 50 17.324 -18.342 -43.932 292 H ASN 51 H ASN 51 15.167 -16.511 -44.296 293 HA ASN 51 HA ASN 51 13.194 -14.620 -44.661 294 HB2 ASN 51 2HB ASN 51 15.159 -15.790 -46.634 295 HB3 ASN 51 3HB ASN 51 14.126 -14.415 -47.014 296 HD21 ASN 51 1HD2 ASN 51 16.801 -15.554 -45.112 297 HD22 ASN 51 2HD2 ASN 51 17.382 -13.999 -44.632 298 H TYR 52 H TYR 52 11.166 -14.710 -45.344 299 HA TYR 52 HA TYR 52 9.923 -17.080 -46.192 300 HB2 TYR 52 2HB TYR 52 8.835 -15.044 -45.120 301 HB3 TYR 52 3HB TYR 52 8.869 -14.301 -46.716 302 HD1 TYR 52 HD2 TYR 52 7.495 -17.132 -44.769 303 HD2 TYR 52 HD1 TYR 52 7.257 -14.862 -48.360 304 HE1 TYR 52 HE2 TYR 52 5.371 -18.242 -45.324 305 HE2 TYR 52 HE1 TYR 52 5.132 -15.965 -48.924 306 HH TYR 52 HH TYR 52 4.043 -18.303 -48.273 307 H HIS 53 H HIS 53 8.726 -17.358 -48.256 308 HA HIS 53 HA HIS 53 10.526 -17.055 -50.465 309 HB2 HIS 53 2HB HIS 53 7.673 -18.046 -50.544 310 HB3 HIS 53 3HB HIS 53 8.947 -18.367 -51.717 311 HD1 HIS 53 HD1 HIS 53 10.290 -20.436 -51.361 312 HD2 HIS 53 HD2 HIS 53 8.166 -19.335 -47.964 313 HE1 HIS 53 HE1 HIS 53 10.617 -22.317 -49.724 314 H THR 54 H THR 54 10.438 -14.616 -50.184 315 HA THR 54 HA THR 54 8.136 -13.452 -51.594 316 HB THR 54 HB THR 54 9.199 -11.246 -50.804 317 HG1 THR 54 HG1 THR 54 10.438 -11.655 -48.793 318 HG21 THR 54 1HG2 THR 54 7.408 -13.046 -49.583 319 HG22 THR 54 2HG2 THR 54 7.537 -11.307 -49.321 320 HG23 THR 54 3HG2 THR 54 8.443 -12.422 -48.300 321 H THR 55 H THR 55 11.595 -12.624 -51.353 322 HA THR 55 HA THR 55 11.808 -11.345 -53.799 323 HB THR 55 HB THR 55 14.288 -12.082 -53.663 324 HG1 THR 55 HG1 THR 55 14.883 -12.956 -51.673 325 HG21 THR 55 1HG2 THR 55 14.144 -10.700 -51.234 326 HG22 THR 55 2HG2 THR 55 12.736 -10.175 -52.156 327 HG23 THR 55 3HG2 THR 55 14.352 -10.009 -52.842 328 H LYS 56 H LYS 56 13.218 -14.561 -53.198 329 HA LYS 56 HA LYS 56 12.215 -15.438 -55.814 330 HB2 LYS 56 2HB LYS 56 15.062 -15.337 -54.895 331 HB3 LYS 56 3HB LYS 56 14.554 -16.634 -55.970 332 HG2 LYS 56 2HG LYS 56 13.837 -13.858 -56.726 333 HG3 LYS 56 3HG LYS 56 15.526 -14.349 -56.878 334 HD2 LYS 56 2HD LYS 56 13.230 -15.916 -58.043 335 HD3 LYS 56 3HD LYS 56 14.115 -14.676 -58.937 336 HE2 LYS 56 2HE LYS 56 16.214 -15.956 -58.452 337 HE3 LYS 56 3HE LYS 56 15.205 -17.240 -57.790 338 HZ1 LYS 56 3HZ LYS 56 15.815 -16.664 -60.501 339 HZ2 LYS 56 1HZ LYS 56 14.140 -16.657 -60.261 340 HZ3 LYS 56 2HZ LYS 56 15.049 -18.022 -59.844 341 H ASP 57 H ASP 57 14.224 -16.665 -53.129 342 HA ASP 57 HA ASP 57 12.268 -18.791 -52.686 343 HB2 ASP 57 2HB ASP 57 14.489 -19.312 -54.197 344 HB3 ASP 57 3HB ASP 57 15.050 -19.740 -52.583 345 H CYS 58 H CYS 58 12.760 -20.027 -50.663 346 HA CYS 58 HA CYS 58 13.329 -18.170 -48.552 347 HB2 CYS 58 2HB CYS 58 11.560 -19.777 -48.224 348 HB3 CYS 58 3HB CYS 58 12.658 -21.117 -48.530 349 HG CYS 58 HG CYS 58 14.105 -20.820 -46.195
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